NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
498264 | 2klc | 16390 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA PRO 23 HA PRO 23 -12.234 19.967 5.408 2 HB2 PRO 23 HB2 PRO 23 -11.073 18.540 7.555 3 HB3 PRO 23 HB3 PRO 23 -10.678 20.203 7.084 4 HG2 PRO 23 HG2 PRO 23 -12.612 19.236 9.172 5 HG3 PRO 23 HG3 PRO 23 -11.500 20.620 9.227 6 HD2 PRO 23 HD2 PRO 23 -14.115 21.011 8.782 7 HD3 PRO 23 HD3 PRO 23 -12.912 21.972 7.902 8 H LYS 24 H LYS 24 -12.879 18.369 4.065 9 HA LYS 24 HA LYS 24 -14.118 15.912 4.898 10 HB2 LYS 24 HB2 LYS 24 -14.469 16.888 2.614 11 HB3 LYS 24 HB3 LYS 24 -12.779 16.593 2.233 12 HG2 LYS 24 HG2 LYS 24 -13.211 14.122 2.581 13 HG3 LYS 24 HG3 LYS 24 -14.921 14.503 2.769 14 HD2 LYS 24 HD2 LYS 24 -14.468 13.707 0.497 15 HD3 LYS 24 HD3 LYS 24 -14.976 15.401 0.458 16 HE2 LYS 24 HE2 LYS 24 -12.619 16.099 0.209 17 HE3 LYS 24 HE3 LYS 24 -12.105 14.410 0.280 18 HZ1 LYS 24 HZ1 LYS 24 -13.392 14.004 -1.743 19 HZ2 LYS 24 HZ2 LYS 24 -12.197 15.172 -1.977 20 HZ3 LYS 24 HZ3 LYS 24 -13.813 15.641 -1.818 21 H ILE 25 H ILE 25 -13.158 13.824 4.819 22 HA ILE 25 HA ILE 25 -10.366 13.691 5.645 23 HB ILE 25 HB ILE 25 -12.297 12.364 6.677 24 HG12 ILE 25 HG12 ILE 25 -9.955 10.669 5.702 25 HG13 ILE 25 HG13 ILE 25 -9.830 11.861 6.990 26 HG21 ILE 25 HG21 ILE 25 -13.405 11.633 4.577 27 HG22 ILE 25 HG22 ILE 25 -12.994 10.260 5.603 28 HG23 ILE 25 HG23 ILE 25 -12.003 10.626 4.190 29 HD11 ILE 25 HD11 ILE 25 -10.016 9.688 7.909 30 HD12 ILE 25 HD12 ILE 25 -11.503 9.370 7.011 31 HD13 ILE 25 HD13 ILE 25 -11.477 10.600 8.280 32 H MET 26 H MET 26 -8.772 12.395 4.476 33 HA MET 26 HA MET 26 -8.898 13.148 1.680 34 HB2 MET 26 HB2 MET 26 -6.911 13.580 3.228 35 HB3 MET 26 HB3 MET 26 -6.559 11.857 3.151 36 HG2 MET 26 HG2 MET 26 -6.327 12.057 0.685 37 HG3 MET 26 HG3 MET 26 -6.589 13.797 0.835 38 HE1 MET 26 HE1 MET 26 -4.083 10.866 1.126 39 HE2 MET 26 HE2 MET 26 -4.454 11.091 2.838 40 HE3 MET 26 HE3 MET 26 -2.854 11.499 2.219 41 H LYS 27 H LYS 27 -9.509 11.810 0.123 42 HA LYS 27 HA LYS 27 -9.828 8.947 0.660 43 HB2 LYS 27 HB2 LYS 27 -10.785 10.528 -1.754 44 HB3 LYS 27 HB3 LYS 27 -11.318 8.931 -1.249 45 HG2 LYS 27 HG2 LYS 27 -11.879 11.572 0.142 46 HG3 LYS 27 HG3 LYS 27 -13.038 10.553 -0.712 47 HD2 LYS 27 HD2 LYS 27 -11.589 9.812 1.869 48 HD3 LYS 27 HD3 LYS 27 -13.261 10.367 1.750 49 HE2 LYS 27 HE2 LYS 27 -12.149 7.794 0.563 50 HE3 LYS 27 HE3 LYS 27 -13.161 7.918 1.999 51 HZ1 LYS 27 HZ1 LYS 27 -14.894 8.903 0.536 52 HZ2 LYS 27 HZ2 LYS 27 -14.521 7.290 0.195 53 HZ3 LYS 27 HZ3 LYS 27 -13.925 8.521 -0.797 54 H VAL 28 H VAL 28 -8.007 7.835 0.291 55 HA VAL 28 HA VAL 28 -6.256 8.421 -2.007 56 HB VAL 28 HB VAL 28 -5.727 6.398 0.222 57 HG11 VAL 28 HG11 VAL 28 -3.836 7.849 -1.660 58 HG12 VAL 28 HG12 VAL 28 -4.303 6.151 -1.755 59 HG13 VAL 28 HG13 VAL 28 -3.354 6.725 -0.383 60 HG21 VAL 28 HG21 VAL 28 -4.973 9.336 0.239 61 HG22 VAL 28 HG22 VAL 28 -4.432 8.123 1.405 62 HG23 VAL 28 HG23 VAL 28 -6.144 8.547 1.301 63 H THR 29 H THR 29 -6.670 7.281 -3.825 64 HA THR 29 HA THR 29 -8.061 4.724 -3.777 65 HB THR 29 HB THR 29 -6.870 6.265 -6.134 66 HG1 THR 29 HG1 THR 29 -9.421 6.337 -4.874 67 HG21 THR 29 HG21 THR 29 -8.931 4.016 -6.075 68 HG22 THR 29 HG22 THR 29 -7.284 3.890 -6.696 69 HG23 THR 29 HG23 THR 29 -8.463 4.922 -7.510 70 H VAL 30 H VAL 30 -7.076 2.763 -3.919 71 HA VAL 30 HA VAL 30 -4.164 2.572 -4.429 72 HB VAL 30 HB VAL 30 -5.945 0.629 -2.858 73 HG11 VAL 30 HG11 VAL 30 -3.998 -0.471 -3.864 74 HG12 VAL 30 HG12 VAL 30 -3.819 -0.390 -2.113 75 HG13 VAL 30 HG13 VAL 30 -2.916 0.724 -3.148 76 HG21 VAL 30 HG21 VAL 30 -3.986 2.697 -1.788 77 HG22 VAL 30 HG22 VAL 30 -4.844 1.492 -0.822 78 HG23 VAL 30 HG23 VAL 30 -5.745 2.758 -1.655 79 H LYS 31 H LYS 31 -3.743 1.716 -6.379 80 HA LYS 31 HA LYS 31 -5.712 0.052 -7.797 81 HB2 LYS 31 HB2 LYS 31 -4.534 2.149 -8.807 82 HB3 LYS 31 HB3 LYS 31 -3.094 1.152 -8.929 83 HG2 LYS 31 HG2 LYS 31 -5.757 0.499 -10.240 84 HG3 LYS 31 HG3 LYS 31 -4.451 1.365 -11.048 85 HD2 LYS 31 HD2 LYS 31 -2.986 -0.630 -10.797 86 HD3 LYS 31 HD3 LYS 31 -4.301 -1.489 -9.986 87 HE2 LYS 31 HE2 LYS 31 -4.116 -2.138 -12.359 88 HE3 LYS 31 HE3 LYS 31 -5.667 -1.367 -12.019 89 HZ1 LYS 31 HZ1 LYS 31 -4.694 -0.564 -14.066 90 HZ2 LYS 31 HZ2 LYS 31 -3.315 -0.049 -13.249 91 HZ3 LYS 31 HZ3 LYS 31 -4.807 0.684 -12.938 92 H THR 32 H THR 32 -5.471 -2.086 -7.636 93 HA THR 32 HA THR 32 -2.835 -3.284 -6.950 94 HB THR 32 HB THR 32 -4.045 -4.955 -5.626 95 HG1 THR 32 HG1 THR 32 -6.472 -3.577 -6.168 96 HG21 THR 32 HG21 THR 32 -4.956 -3.570 -3.833 97 HG22 THR 32 HG22 THR 32 -5.125 -2.200 -4.934 98 HG23 THR 32 HG23 THR 32 -3.521 -2.795 -4.504 99 HA PRO 33 HA PRO 33 -3.224 -6.196 -10.430 100 HB2 PRO 33 HB2 PRO 33 -2.714 -8.633 -9.156 101 HB3 PRO 33 HB3 PRO 33 -1.464 -7.473 -9.641 102 HG2 PRO 33 HG2 PRO 33 -2.790 -7.787 -6.941 103 HG3 PRO 33 HG3 PRO 33 -1.054 -7.676 -7.329 104 HD2 PRO 33 HD2 PRO 33 -2.328 -5.522 -6.468 105 HD3 PRO 33 HD3 PRO 33 -1.197 -5.366 -7.834 106 H LYS 34 H LYS 34 -5.115 -6.511 -7.572 107 HA LYS 34 HA LYS 34 -6.860 -8.642 -8.495 108 HB2 LYS 34 HB2 LYS 34 -6.983 -6.917 -5.970 109 HB3 LYS 34 HB3 LYS 34 -7.839 -8.439 -6.238 110 HG2 LYS 34 HG2 LYS 34 -5.780 -9.698 -6.202 111 HG3 LYS 34 HG3 LYS 34 -4.806 -8.228 -6.231 112 HD2 LYS 34 HD2 LYS 34 -4.807 -9.227 -3.998 113 HD3 LYS 34 HD3 LYS 34 -5.571 -7.640 -3.978 114 HE2 LYS 34 HE2 LYS 34 -6.816 -9.189 -2.563 115 HE3 LYS 34 HE3 LYS 34 -7.799 -8.732 -3.954 116 HZ1 LYS 34 HZ1 LYS 34 -7.293 -10.804 -4.996 117 HZ2 LYS 34 HZ2 LYS 34 -7.902 -11.106 -3.450 118 HZ3 LYS 34 HZ3 LYS 34 -6.243 -11.244 -3.751 119 H GLU 35 H GLU 35 -7.096 -5.184 -7.690 120 HA GLU 35 HA GLU 35 -9.436 -4.652 -9.273 121 HB2 GLU 35 HB2 GLU 35 -10.988 -4.261 -7.371 122 HB3 GLU 35 HB3 GLU 35 -10.481 -5.949 -7.426 123 HG2 GLU 35 HG2 GLU 35 -8.753 -5.405 -5.671 124 HG3 GLU 35 HG3 GLU 35 -9.463 -3.799 -5.540 125 H LYS 36 H LYS 36 -10.424 -2.417 -7.995 126 HA LYS 36 HA LYS 36 -8.126 -0.783 -7.089 127 HB2 LYS 36 HB2 LYS 36 -9.088 1.194 -8.262 128 HB3 LYS 36 HB3 LYS 36 -8.549 -0.064 -9.366 129 HG2 LYS 36 HG2 LYS 36 -10.891 -0.791 -9.695 130 HG3 LYS 36 HG3 LYS 36 -11.440 0.466 -8.584 131 HD2 LYS 36 HD2 LYS 36 -10.004 0.954 -11.230 132 HD3 LYS 36 HD3 LYS 36 -11.741 1.121 -10.964 133 HE2 LYS 36 HE2 LYS 36 -9.583 2.775 -9.594 134 HE3 LYS 36 HE3 LYS 36 -10.601 3.316 -10.927 135 HZ1 LYS 36 HZ1 LYS 36 -11.580 2.515 -8.241 136 HZ2 LYS 36 HZ2 LYS 36 -12.533 3.069 -9.520 137 HZ3 LYS 36 HZ3 LYS 36 -11.410 4.099 -8.796 138 H GLU 37 H GLU 37 -8.468 0.159 -5.198 139 HA GLU 37 HA GLU 37 -11.196 0.298 -4.026 140 HB2 GLU 37 HB2 GLU 37 -9.813 -1.605 -3.135 141 HB3 GLU 37 HB3 GLU 37 -8.578 -0.460 -2.641 142 HG2 GLU 37 HG2 GLU 37 -9.972 -1.267 -0.758 143 HG3 GLU 37 HG3 GLU 37 -10.030 0.485 -0.955 144 H GLU 38 H GLU 38 -11.199 1.896 -2.098 145 HA GLU 38 HA GLU 38 -9.196 4.013 -2.196 146 HB2 GLU 38 HB2 GLU 38 -10.929 4.656 -3.865 147 HB3 GLU 38 HB3 GLU 38 -12.169 4.544 -2.619 148 HG2 GLU 38 HG2 GLU 38 -11.056 6.389 -1.372 149 HG3 GLU 38 HG3 GLU 38 -9.855 6.514 -2.660 150 H PHE 39 H PHE 39 -8.674 4.462 -0.159 151 HA PHE 39 HA PHE 39 -10.508 3.787 2.060 152 HB2 PHE 39 HB2 PHE 39 -7.483 4.180 2.098 153 HB3 PHE 39 HB3 PHE 39 -8.474 3.701 3.473 154 HD1 PHE 39 HD1 PHE 39 -9.573 1.446 3.503 155 HD2 PHE 39 HD2 PHE 39 -6.827 2.568 0.421 156 HE1 PHE 39 HE1 PHE 39 -9.326 -0.915 2.865 157 HE2 PHE 39 HE2 PHE 39 -6.596 0.202 -0.216 158 HZ PHE 39 HZ PHE 39 -7.839 -1.540 1.005 159 H ALA 40 H ALA 40 -10.507 5.209 3.919 160 HA ALA 40 HA ALA 40 -10.181 8.082 3.243 161 HB1 ALA 40 HB1 ALA 40 -12.500 7.381 3.632 162 HB2 ALA 40 HB2 ALA 40 -11.956 8.475 4.904 163 HB3 ALA 40 HB3 ALA 40 -12.062 6.741 5.215 164 H VAL 41 H VAL 41 -8.528 9.021 4.244 165 HA VAL 41 HA VAL 41 -7.688 8.249 6.964 166 HB VAL 41 HB VAL 41 -5.295 8.262 6.346 167 HG11 VAL 41 HG11 VAL 41 -6.431 6.083 6.359 168 HG12 VAL 41 HG12 VAL 41 -5.137 6.110 5.164 169 HG13 VAL 41 HG13 VAL 41 -6.818 6.255 4.643 170 HG21 VAL 41 HG21 VAL 41 -5.323 9.755 4.404 171 HG22 VAL 41 HG22 VAL 41 -6.197 8.554 3.454 172 HG23 VAL 41 HG23 VAL 41 -4.541 8.232 3.975 173 HA PRO 42 HA PRO 42 -7.687 12.713 7.226 174 HB2 PRO 42 HB2 PRO 42 -6.586 13.142 9.630 175 HB3 PRO 42 HB3 PRO 42 -8.050 12.158 9.480 176 HG2 PRO 42 HG2 PRO 42 -5.183 11.230 9.748 177 HG3 PRO 42 HG3 PRO 42 -6.619 10.689 10.646 178 HD2 PRO 42 HD2 PRO 42 -5.611 9.363 8.440 179 HD3 PRO 42 HD3 PRO 42 -7.315 9.287 8.937 180 H GLU 43 H GLU 43 -5.581 11.771 5.553 181 HA GLU 43 HA GLU 43 -3.504 11.828 4.779 182 HB2 GLU 43 HB2 GLU 43 -2.718 13.973 4.079 183 HB3 GLU 43 HB3 GLU 43 -4.472 13.980 4.020 184 HG2 GLU 43 HG2 GLU 43 -4.472 15.251 6.192 185 HG3 GLU 43 HG3 GLU 43 -2.713 15.333 6.078 186 H ASN 44 H ASN 44 -3.633 11.673 7.890 187 HA ASN 44 HA ASN 44 -0.876 12.414 8.547 188 HB2 ASN 44 HB2 ASN 44 -2.785 12.980 10.119 189 HB3 ASN 44 HB3 ASN 44 -3.056 11.257 10.351 190 HD21 ASN 44 HD21 ASN 44 -1.493 10.055 11.553 191 HD22 ASN 44 HD22 ASN 44 -0.346 10.837 12.583 192 H SER 45 H SER 45 -2.985 9.721 7.880 193 HA SER 45 HA SER 45 -1.527 7.584 8.935 194 HB2 SER 45 HB2 SER 45 -3.350 7.518 6.503 195 HB3 SER 45 HB3 SER 45 -2.956 6.168 7.575 196 HG SER 45 HG SER 45 -4.026 7.271 9.248 197 H SER 46 H SER 46 0.570 7.450 8.472 198 HA SER 46 HA SER 46 1.710 7.830 5.843 199 HB2 SER 46 HB2 SER 46 2.949 6.641 8.364 200 HB3 SER 46 HB3 SER 46 3.814 7.272 6.962 201 HG SER 46 HG SER 46 2.067 9.099 7.972 202 H VAL 47 H VAL 47 3.355 5.842 5.246 203 HA VAL 47 HA VAL 47 1.665 3.942 4.059 204 HB VAL 47 HB VAL 47 4.688 3.917 4.461 205 HG11 VAL 47 HG11 VAL 47 4.026 1.607 4.046 206 HG12 VAL 47 HG12 VAL 47 4.807 2.256 2.609 207 HG13 VAL 47 HG13 VAL 47 3.050 2.093 2.656 208 HG21 VAL 47 HG21 VAL 47 3.799 5.807 3.127 209 HG22 VAL 47 HG22 VAL 47 3.009 4.669 2.029 210 HG23 VAL 47 HG23 VAL 47 4.770 4.719 2.139 211 H GLN 48 H GLN 48 3.797 3.576 6.903 212 HA GLN 48 HA GLN 48 3.269 0.914 7.504 213 HB2 GLN 48 HB2 GLN 48 3.775 1.877 10.032 214 HB3 GLN 48 HB3 GLN 48 4.995 1.433 8.864 215 HG2 GLN 48 HG2 GLN 48 5.663 3.477 9.822 216 HG3 GLN 48 HG3 GLN 48 5.152 3.838 8.180 217 HE21 GLN 48 HE21 GLN 48 5.450 5.565 10.542 218 HE22 GLN 48 HE22 GLN 48 3.921 6.340 10.756 219 H GLN 49 H GLN 49 1.222 3.662 8.160 220 HA GLN 49 HA GLN 49 -0.606 2.125 9.867 221 HB2 GLN 49 HB2 GLN 49 -0.586 5.013 8.909 222 HB3 GLN 49 HB3 GLN 49 -1.904 4.333 9.861 223 HG2 GLN 49 HG2 GLN 49 -0.442 3.942 11.745 224 HG3 GLN 49 HG3 GLN 49 0.977 4.389 10.802 225 HE21 GLN 49 HE21 GLN 49 -0.104 5.504 13.328 226 HE22 GLN 49 HE22 GLN 49 -0.317 7.194 13.035 227 H PHE 50 H PHE 50 -0.300 3.186 6.567 228 HA PHE 50 HA PHE 50 -3.107 3.123 5.919 229 HB2 PHE 50 HB2 PHE 50 -1.557 4.762 4.899 230 HB3 PHE 50 HB3 PHE 50 -0.674 3.449 4.127 231 HD1 PHE 50 HD1 PHE 50 -4.208 4.714 4.400 232 HD2 PHE 50 HD2 PHE 50 -1.197 3.031 1.863 233 HE1 PHE 50 HE1 PHE 50 -5.725 4.883 2.478 234 HE2 PHE 50 HE2 PHE 50 -2.728 3.208 -0.047 235 HZ PHE 50 HZ PHE 50 -4.988 4.135 0.259 236 H LYS 51 H LYS 51 -0.298 1.056 5.245 237 HA LYS 51 HA LYS 51 -1.699 -0.629 3.420 238 HB2 LYS 51 HB2 LYS 51 0.296 -1.663 2.983 239 HB3 LYS 51 HB3 LYS 51 0.911 -0.178 3.672 240 HG2 LYS 51 HG2 LYS 51 0.724 -2.867 5.050 241 HG3 LYS 51 HG3 LYS 51 2.185 -2.108 4.423 242 HD2 LYS 51 HD2 LYS 51 1.767 -0.227 6.123 243 HD3 LYS 51 HD3 LYS 51 0.529 -1.267 6.830 244 HE2 LYS 51 HE2 LYS 51 2.336 -3.053 7.076 245 HE3 LYS 51 HE3 LYS 51 3.499 -1.813 6.617 246 HZ1 LYS 51 HZ1 LYS 51 2.927 -0.557 8.536 247 HZ2 LYS 51 HZ2 LYS 51 3.307 -2.126 9.019 248 HZ3 LYS 51 HZ3 LYS 51 1.692 -1.624 8.953 249 H GLU 52 H GLU 52 -1.613 -0.471 6.823 250 HA GLU 52 HA GLU 52 -2.426 -3.120 7.484 251 HB2 GLU 52 HB2 GLU 52 -3.056 -0.513 8.934 252 HB3 GLU 52 HB3 GLU 52 -3.186 -2.137 9.616 253 HG2 GLU 52 HG2 GLU 52 -0.715 -2.417 9.303 254 HG3 GLU 52 HG3 GLU 52 -0.631 -0.744 8.743 255 H GLU 53 H GLU 53 -4.167 -0.152 6.618 256 HA GLU 53 HA GLU 53 -6.812 -1.169 6.903 257 HB2 GLU 53 HB2 GLU 53 -5.862 1.118 5.121 258 HB3 GLU 53 HB3 GLU 53 -7.515 0.841 5.669 259 HG2 GLU 53 HG2 GLU 53 -5.126 1.700 7.315 260 HG3 GLU 53 HG3 GLU 53 -6.622 2.589 7.018 261 H ILE 54 H ILE 54 -4.511 -1.050 4.257 262 HA ILE 54 HA ILE 54 -6.120 -2.123 2.208 263 HB ILE 54 HB ILE 54 -3.105 -2.337 2.620 264 HG12 ILE 54 HG12 ILE 54 -4.706 -0.359 0.916 265 HG13 ILE 54 HG13 ILE 54 -3.936 0.022 2.453 266 HG21 ILE 54 HG21 ILE 54 -2.952 -2.845 0.224 267 HG22 ILE 54 HG22 ILE 54 -4.708 -2.824 0.079 268 HG23 ILE 54 HG23 ILE 54 -3.913 -4.062 1.054 269 HD11 ILE 54 HD11 ILE 54 -1.739 -0.386 1.464 270 HD12 ILE 54 HD12 ILE 54 -2.639 0.836 0.569 271 HD13 ILE 54 HD13 ILE 54 -2.498 -0.798 -0.079 272 H SER 55 H SER 55 -3.955 -3.706 4.597 273 HA SER 55 HA SER 55 -3.961 -6.264 3.445 274 HB2 SER 55 HB2 SER 55 -3.018 -7.034 5.618 275 HB3 SER 55 HB3 SER 55 -2.231 -5.575 5.021 276 HG SER 55 HG SER 55 -3.082 -5.809 7.361 277 H LYS 56 H LYS 56 -5.934 -4.951 6.101 278 HA LYS 56 HA LYS 56 -7.335 -7.356 6.680 279 HB2 LYS 56 HB2 LYS 56 -8.867 -5.939 7.994 280 HB3 LYS 56 HB3 LYS 56 -7.188 -5.518 8.311 281 HG2 LYS 56 HG2 LYS 56 -7.360 -3.513 6.961 282 HG3 LYS 56 HG3 LYS 56 -8.969 -3.969 6.399 283 HD2 LYS 56 HD2 LYS 56 -9.161 -2.237 8.106 284 HD3 LYS 56 HD3 LYS 56 -9.836 -3.747 8.719 285 HE2 LYS 56 HE2 LYS 56 -8.521 -2.627 10.450 286 HE3 LYS 56 HE3 LYS 56 -7.748 -4.144 9.994 287 HZ1 LYS 56 HZ1 LYS 56 -6.122 -2.435 10.192 288 HZ2 LYS 56 HZ2 LYS 56 -6.946 -1.424 9.121 289 HZ3 LYS 56 HZ3 LYS 56 -6.251 -2.861 8.566 290 H ARG 57 H ARG 57 -7.915 -4.796 4.325 291 HA ARG 57 HA ARG 57 -10.652 -5.593 3.807 292 HB2 ARG 57 HB2 ARG 57 -9.300 -3.218 3.496 293 HB3 ARG 57 HB3 ARG 57 -9.247 -3.801 1.840 294 HG2 ARG 57 HG2 ARG 57 -11.786 -3.463 3.476 295 HG3 ARG 57 HG3 ARG 57 -11.167 -2.273 2.332 296 HD2 ARG 57 HD2 ARG 57 -11.894 -5.116 1.545 297 HD3 ARG 57 HD3 ARG 57 -13.025 -3.765 1.467 298 HE ARG 57 HE ARG 57 -11.459 -2.692 -0.091 299 HH11 ARG 57 HH11 ARG 57 -11.250 -6.210 0.164 300 HH12 ARG 57 HH12 ARG 57 -10.633 -6.373 -1.450 301 HH21 ARG 57 HH21 ARG 57 -10.662 -2.967 -2.133 302 HH22 ARG 57 HH22 ARG 57 -10.281 -4.547 -2.725 303 H PHE 58 H PHE 58 -7.547 -5.885 2.112 304 HA PHE 58 HA PHE 58 -8.607 -7.478 -0.074 305 HB2 PHE 58 HB2 PHE 58 -5.807 -6.521 0.655 306 HB3 PHE 58 HB3 PHE 58 -6.114 -7.581 -0.718 307 HD1 PHE 58 HD1 PHE 58 -6.894 -4.187 0.666 308 HD2 PHE 58 HD2 PHE 58 -6.862 -6.676 -2.800 309 HE1 PHE 58 HE1 PHE 58 -7.397 -2.238 -0.744 310 HE2 PHE 58 HE2 PHE 58 -7.388 -4.737 -4.191 311 HZ PHE 58 HZ PHE 58 -7.652 -2.516 -3.175 312 H LYS 59 H LYS 59 -7.761 -8.174 3.103 313 HA LYS 59 HA LYS 59 -7.391 -10.034 4.320 314 HB2 LYS 59 HB2 LYS 59 -8.388 -11.494 1.830 315 HB3 LYS 59 HB3 LYS 59 -8.284 -12.196 3.444 316 HG2 LYS 59 HG2 LYS 59 -10.003 -9.804 2.710 317 HG3 LYS 59 HG3 LYS 59 -10.599 -11.463 2.819 318 HD2 LYS 59 HD2 LYS 59 -10.180 -11.530 5.200 319 HD3 LYS 59 HD3 LYS 59 -9.291 -10.004 5.146 320 HE2 LYS 59 HE2 LYS 59 -11.509 -9.644 6.079 321 HE3 LYS 59 HE3 LYS 59 -11.370 -8.819 4.529 322 HZ1 LYS 59 HZ1 LYS 59 -12.545 -10.726 3.536 323 HZ2 LYS 59 HZ2 LYS 59 -13.465 -9.882 4.665 324 HZ3 LYS 59 HZ3 LYS 59 -12.771 -11.362 5.081 325 H SER 60 H SER 60 -5.271 -8.889 3.011 326 HA SER 60 HA SER 60 -3.387 -11.055 2.315 327 HB2 SER 60 HB2 SER 60 -3.247 -8.046 1.785 328 HB3 SER 60 HB3 SER 60 -2.097 -9.257 1.206 329 HG SER 60 HG SER 60 -4.797 -9.636 0.586 330 H HIS 61 H HIS 61 -1.148 -10.782 3.194 331 HA HIS 61 HA HIS 61 -1.025 -9.616 5.886 332 HB2 HIS 61 HB2 HIS 61 1.078 -11.100 4.239 333 HB3 HIS 61 HB3 HIS 61 1.367 -10.472 5.858 334 HD1 HIS 61 HD1 HIS 61 0.459 -11.821 7.825 335 HD2 HIS 61 HD2 HIS 61 -0.637 -13.390 4.142 336 HE1 HIS 61 HE1 HIS 61 -0.503 -14.082 8.320 337 HE2 HIS 61 HE2 HIS 61 -1.355 -14.910 6.103 338 H THR 62 H THR 62 0.348 -7.850 6.456 339 HA THR 62 HA THR 62 0.526 -5.736 4.551 340 HB THR 62 HB THR 62 1.837 -4.540 6.407 341 HG1 THR 62 HG1 THR 62 2.679 -6.405 7.425 342 HG21 THR 62 HG21 THR 62 -0.819 -5.746 7.236 343 HG22 THR 62 HG22 THR 62 -0.614 -4.302 6.238 344 HG23 THR 62 HG23 THR 62 -0.069 -4.300 7.917 345 H ASP 63 H ASP 63 2.780 -8.126 5.684 346 HA ASP 63 HA ASP 63 5.208 -7.036 4.679 347 HB2 ASP 63 HB2 ASP 63 5.129 -8.757 6.443 348 HB3 ASP 63 HB3 ASP 63 4.379 -9.898 5.333 349 H GLN 64 H GLN 64 2.602 -8.884 3.235 350 HA GLN 64 HA GLN 64 3.984 -9.498 0.755 351 HB2 GLN 64 HB2 GLN 64 1.132 -9.889 1.721 352 HB3 GLN 64 HB3 GLN 64 1.625 -10.295 0.078 353 HG2 GLN 64 HG2 GLN 64 3.127 -11.989 0.837 354 HG3 GLN 64 HG3 GLN 64 3.006 -11.454 2.511 355 HE21 GLN 64 HE21 GLN 64 2.468 -14.074 1.191 356 HE22 GLN 64 HE22 GLN 64 0.873 -14.504 1.703 357 H LEU 65 H LEU 65 2.564 -6.734 1.986 358 HA LEU 65 HA LEU 65 1.624 -5.685 -0.607 359 HB2 LEU 65 HB2 LEU 65 1.502 -4.421 2.159 360 HB3 LEU 65 HB3 LEU 65 0.695 -3.841 0.707 361 HG LEU 65 HG LEU 65 0.064 -6.429 2.173 362 HD11 LEU 65 HD11 LEU 65 -0.652 -4.480 3.442 363 HD12 LEU 65 HD12 LEU 65 -2.045 -5.333 2.783 364 HD13 LEU 65 HD13 LEU 65 -1.492 -3.839 2.026 365 HD21 LEU 65 HD21 LEU 65 -1.874 -6.610 0.672 366 HD22 LEU 65 HD22 LEU 65 -0.358 -6.684 -0.222 367 HD23 LEU 65 HD23 LEU 65 -1.316 -5.200 -0.231 368 H VAL 66 H VAL 66 3.148 -4.658 -1.814 369 HA VAL 66 HA VAL 66 4.928 -2.719 -0.445 370 HB VAL 66 HB VAL 66 6.504 -2.926 -2.439 371 HG11 VAL 66 HG11 VAL 66 7.068 -3.953 -0.280 372 HG12 VAL 66 HG12 VAL 66 7.634 -4.968 -1.606 373 HG13 VAL 66 HG13 VAL 66 6.178 -5.418 -0.714 374 HG21 VAL 66 HG21 VAL 66 4.981 -4.026 -4.054 375 HG22 VAL 66 HG22 VAL 66 4.929 -5.470 -3.042 376 HG23 VAL 66 HG23 VAL 66 6.442 -4.987 -3.813 377 H LEU 67 H LEU 67 4.227 -0.730 -0.763 378 HA LEU 67 HA LEU 67 2.528 0.015 -3.010 379 HB2 LEU 67 HB2 LEU 67 3.665 1.603 -0.669 380 HB3 LEU 67 HB3 LEU 67 2.636 2.303 -1.908 381 HG LEU 67 HG LEU 67 1.798 0.111 0.044 382 HD11 LEU 67 HD11 LEU 67 2.048 2.305 1.136 383 HD12 LEU 67 HD12 LEU 67 0.359 1.813 1.061 384 HD13 LEU 67 HD13 LEU 67 0.973 3.031 -0.062 385 HD21 LEU 67 HD21 LEU 67 -0.477 0.426 -0.850 386 HD22 LEU 67 HD22 LEU 67 0.620 -0.128 -2.109 387 HD23 LEU 67 HD23 LEU 67 0.135 1.567 -2.048 388 H ILE 68 H ILE 68 3.143 1.389 -4.657 389 HA ILE 68 HA ILE 68 5.922 2.352 -4.855 390 HB ILE 68 HB ILE 68 4.420 0.958 -7.144 391 HG12 ILE 68 HG12 ILE 68 6.705 -0.413 -7.147 392 HG13 ILE 68 HG13 ILE 68 6.823 0.111 -5.477 393 HG21 ILE 68 HG21 ILE 68 5.608 2.909 -8.024 394 HG22 ILE 68 HG22 ILE 68 6.410 1.436 -8.563 395 HG23 ILE 68 HG23 ILE 68 7.109 2.390 -7.251 396 HD11 ILE 68 HD11 ILE 68 4.683 -1.005 -5.001 397 HD12 ILE 68 HD12 ILE 68 5.887 -2.118 -5.653 398 HD13 ILE 68 HD13 ILE 68 4.591 -1.520 -6.688 399 H PHE 69 H PHE 69 6.018 4.401 -5.493 400 HA PHE 69 HA PHE 69 4.112 5.649 -7.253 401 HB2 PHE 69 HB2 PHE 69 3.050 5.814 -4.909 402 HB3 PHE 69 HB3 PHE 69 4.390 6.861 -4.460 403 HD1 PHE 69 HD1 PHE 69 4.572 9.158 -5.459 404 HD2 PHE 69 HD2 PHE 69 1.256 6.603 -6.365 405 HE1 PHE 69 HE1 PHE 69 3.315 11.076 -6.327 406 HE2 PHE 69 HE2 PHE 69 0.008 8.540 -7.231 407 HZ PHE 69 HZ PHE 69 1.038 10.779 -7.215 408 H ALA 70 H ALA 70 4.969 7.527 -8.167 409 HA ALA 70 HA ALA 70 6.549 8.886 -9.033 410 HB1 ALA 70 HB1 ALA 70 7.922 8.703 -6.320 411 HB2 ALA 70 HB2 ALA 70 6.671 9.864 -6.762 412 HB3 ALA 70 HB3 ALA 70 8.239 9.916 -7.567 413 H GLY 71 H GLY 71 6.852 5.827 -8.900 414 HA2 GLY 71 HA2 GLY 71 8.176 4.437 -10.222 415 HA3 GLY 71 HA3 GLY 71 9.422 5.671 -10.278 416 H LYS 72 H LYS 72 8.638 5.444 -7.069 417 HA LYS 72 HA LYS 72 10.724 3.394 -6.539 418 HB2 LYS 72 HB2 LYS 72 11.612 4.773 -4.743 419 HB3 LYS 72 HB3 LYS 72 11.583 5.707 -6.229 420 HG2 LYS 72 HG2 LYS 72 10.737 7.344 -4.852 421 HG3 LYS 72 HG3 LYS 72 9.208 6.534 -5.183 422 HD2 LYS 72 HD2 LYS 72 9.408 6.963 -2.769 423 HD3 LYS 72 HD3 LYS 72 9.461 5.225 -3.068 424 HE2 LYS 72 HE2 LYS 72 12.022 5.437 -3.017 425 HE3 LYS 72 HE3 LYS 72 11.776 7.056 -2.365 426 HZ1 LYS 72 HZ1 LYS 72 10.874 4.507 -1.163 427 HZ2 LYS 72 HZ2 LYS 72 10.540 6.024 -0.538 428 HZ3 LYS 72 HZ3 LYS 72 12.130 5.481 -0.609 429 H ILE 73 H ILE 73 10.533 2.282 -4.520 430 HA ILE 73 HA ILE 73 7.817 1.615 -3.831 431 HB ILE 73 HB ILE 73 8.663 -0.102 -2.341 432 HG12 ILE 73 HG12 ILE 73 10.642 1.097 -1.347 433 HG13 ILE 73 HG13 ILE 73 11.018 -0.541 -1.848 434 HG21 ILE 73 HG21 ILE 73 8.549 -0.660 -4.696 435 HG22 ILE 73 HG22 ILE 73 9.919 -1.493 -3.962 436 HG23 ILE 73 HG23 ILE 73 10.189 -0.063 -4.960 437 HD11 ILE 73 HD11 ILE 73 12.843 0.920 -2.346 438 HD12 ILE 73 HD12 ILE 73 11.798 1.999 -3.268 439 HD13 ILE 73 HD13 ILE 73 12.128 0.368 -3.860 440 H LEU 74 H LEU 74 6.641 2.292 -2.148 441 HA LEU 74 HA LEU 74 7.653 4.276 -0.293 442 HB2 LEU 74 HB2 LEU 74 4.866 3.062 -0.327 443 HB3 LEU 74 HB3 LEU 74 5.375 4.579 0.394 444 HG LEU 74 HG LEU 74 5.050 3.962 -2.558 445 HD11 LEU 74 HD11 LEU 74 3.347 5.738 -2.495 446 HD12 LEU 74 HD12 LEU 74 3.621 5.949 -0.765 447 HD13 LEU 74 HD13 LEU 74 2.958 4.432 -1.373 448 HD21 LEU 74 HD21 LEU 74 6.170 6.512 -1.325 449 HD22 LEU 74 HD22 LEU 74 5.729 6.300 -3.021 450 HD23 LEU 74 HD23 LEU 74 7.053 5.362 -2.337 451 H LYS 75 H LYS 75 8.787 3.506 1.336 452 HA LYS 75 HA LYS 75 8.200 0.972 2.691 453 HB2 LYS 75 HB2 LYS 75 10.408 3.029 3.173 454 HB3 LYS 75 HB3 LYS 75 10.324 1.417 3.883 455 HG2 LYS 75 HG2 LYS 75 10.572 1.977 0.903 456 HG3 LYS 75 HG3 LYS 75 11.926 1.596 1.970 457 HD2 LYS 75 HD2 LYS 75 9.546 -0.278 1.601 458 HD3 LYS 75 HD3 LYS 75 11.004 -0.368 0.609 459 HE2 LYS 75 HE2 LYS 75 10.965 -0.648 3.641 460 HE3 LYS 75 HE3 LYS 75 11.022 -1.996 2.506 461 HZ1 LYS 75 HZ1 LYS 75 13.064 0.136 2.754 462 HZ2 LYS 75 HZ2 LYS 75 13.120 -1.166 1.675 463 HZ3 LYS 75 HZ3 LYS 75 13.203 -1.440 3.339 464 H ASP 76 H ASP 76 8.623 1.318 5.280 465 HA ASP 76 HA ASP 76 6.400 2.830 6.258 466 HB2 ASP 76 HB2 ASP 76 7.144 2.146 8.521 467 HB3 ASP 76 HB3 ASP 76 7.060 0.791 7.408 468 H GLN 77 H GLN 77 9.754 3.614 5.760 469 HA GLN 77 HA GLN 77 9.884 5.985 7.384 470 HB2 GLN 77 HB2 GLN 77 11.943 6.503 6.139 471 HB3 GLN 77 HB3 GLN 77 11.943 4.816 6.641 472 HG2 GLN 77 HG2 GLN 77 11.379 4.090 4.384 473 HG3 GLN 77 HG3 GLN 77 11.190 5.761 3.856 474 HE21 GLN 77 HE21 GLN 77 12.717 5.468 2.219 475 HE22 GLN 77 HE22 GLN 77 14.415 5.367 2.547 476 H ASP 78 H ASP 78 8.462 5.223 4.353 477 HA ASP 78 HA ASP 78 8.297 7.970 3.371 478 HB2 ASP 78 HB2 ASP 78 7.254 5.311 2.282 479 HB3 ASP 78 HB3 ASP 78 6.962 6.859 1.495 480 H THR 79 H THR 79 6.446 9.185 3.440 481 HA THR 79 HA THR 79 3.936 7.968 4.484 482 HB THR 79 HB THR 79 3.255 10.145 5.291 483 HG1 THR 79 HG1 THR 79 4.810 11.973 4.907 484 HG21 THR 79 HG21 THR 79 5.007 10.851 6.858 485 HG22 THR 79 HG22 THR 79 6.222 9.961 5.941 486 HG23 THR 79 HG23 THR 79 4.943 9.085 6.783 487 H LEU 80 H LEU 80 2.092 8.265 3.178 488 HA LEU 80 HA LEU 80 2.553 8.530 0.397 489 HB2 LEU 80 HB2 LEU 80 -0.040 8.544 0.255 490 HB3 LEU 80 HB3 LEU 80 0.793 7.118 0.833 491 HG LEU 80 HG LEU 80 0.232 7.901 3.217 492 HD11 LEU 80 HD11 LEU 80 -0.338 10.219 2.815 493 HD12 LEU 80 HD12 LEU 80 -1.718 9.366 3.499 494 HD13 LEU 80 HD13 LEU 80 -1.680 9.746 1.774 495 HD21 LEU 80 HD21 LEU 80 -2.034 7.123 1.362 496 HD22 LEU 80 HD22 LEU 80 -2.042 6.973 3.124 497 HD23 LEU 80 HD23 LEU 80 -0.900 6.032 2.169 498 H SER 81 H SER 81 1.339 10.831 2.787 499 HA SER 81 HA SER 81 0.401 12.840 1.054 500 HB2 SER 81 HB2 SER 81 -0.202 12.687 3.445 501 HB3 SER 81 HB3 SER 81 1.456 13.070 3.904 502 HG SER 81 HG SER 81 0.338 14.956 4.001 503 H GLN 82 H GLN 82 3.655 12.222 2.359 504 HA GLN 82 HA GLN 82 4.853 14.679 1.562 505 HB2 GLN 82 HB2 GLN 82 5.788 13.080 3.279 506 HB3 GLN 82 HB3 GLN 82 6.252 12.001 1.969 507 HG2 GLN 82 HG2 GLN 82 8.162 13.299 2.759 508 HG3 GLN 82 HG3 GLN 82 7.784 13.723 1.090 509 HE21 GLN 82 HE21 GLN 82 6.023 14.934 3.946 510 HE22 GLN 82 HE22 GLN 82 6.524 16.576 3.765 511 H HIS 83 H HIS 83 4.102 11.760 -0.200 512 HA HIS 83 HA HIS 83 5.828 12.445 -2.486 513 HB2 HIS 83 HB2 HIS 83 3.981 10.078 -1.976 514 HB3 HIS 83 HB3 HIS 83 4.916 10.294 -3.462 515 HD1 HIS 83 HD1 HIS 83 5.620 10.246 0.263 516 HD2 HIS 83 HD2 HIS 83 7.345 9.066 -3.315 517 HE1 HIS 83 HE1 HIS 83 7.760 9.159 0.897 518 HE2 HIS 83 HE2 HIS 83 8.853 8.543 -1.279 519 H GLY 84 H GLY 84 3.095 13.724 -1.473 520 HA2 GLY 84 HA2 GLY 84 1.599 15.125 -2.510 521 HA3 GLY 84 HA3 GLY 84 2.276 14.669 -4.068 522 H ILE 85 H ILE 85 1.251 12.150 -1.929 523 HA ILE 85 HA ILE 85 -1.006 11.465 -3.665 524 HB ILE 85 HB ILE 85 -0.009 9.946 -1.207 525 HG12 ILE 85 HG12 ILE 85 0.726 9.339 -4.112 526 HG13 ILE 85 HG13 ILE 85 1.778 10.215 -3.006 527 HG21 ILE 85 HG21 ILE 85 -1.218 8.029 -2.184 528 HG22 ILE 85 HG22 ILE 85 -1.735 9.023 -3.546 529 HG23 ILE 85 HG23 ILE 85 -2.314 9.385 -1.919 530 HD11 ILE 85 HD11 ILE 85 2.415 7.893 -3.196 531 HD12 ILE 85 HD12 ILE 85 0.825 7.383 -2.639 532 HD13 ILE 85 HD13 ILE 85 1.900 8.268 -1.555 533 H HIS 86 H HIS 86 -2.442 13.057 -3.171 534 HA HIS 86 HA HIS 86 -3.640 13.032 -0.468 535 HB2 HIS 86 HB2 HIS 86 -3.363 15.360 -2.424 536 HB3 HIS 86 HB3 HIS 86 -4.402 15.408 -1.000 537 HD1 HIS 86 HD1 HIS 86 -0.943 15.963 -2.066 538 HD2 HIS 86 HD2 HIS 86 -2.913 15.225 1.517 539 HE1 HIS 86 HE1 HIS 86 0.698 16.545 -0.259 540 HE2 HIS 86 HE2 HIS 86 -0.509 16.071 1.894 541 H ASP 87 H ASP 87 -5.956 14.489 -1.242 542 HA ASP 87 HA ASP 87 -7.674 12.392 -1.868 543 HB2 ASP 87 HB2 ASP 87 -8.331 14.404 -0.600 544 HB3 ASP 87 HB3 ASP 87 -8.150 15.395 -2.039 545 H GLY 88 H GLY 88 -8.006 11.394 -3.751 546 HA2 GLY 88 HA2 GLY 88 -8.842 11.336 -5.978 547 HA3 GLY 88 HA3 GLY 88 -8.145 12.918 -6.284 548 H LEU 89 H LEU 89 -5.677 11.549 -4.780 549 HA LEU 89 HA LEU 89 -4.344 10.685 -7.227 550 HB2 LEU 89 HB2 LEU 89 -3.370 11.161 -4.389 551 HB3 LEU 89 HB3 LEU 89 -2.341 10.406 -5.590 552 HG LEU 89 HG LEU 89 -1.760 12.752 -5.397 553 HD11 LEU 89 HD11 LEU 89 -3.188 12.274 -8.027 554 HD12 LEU 89 HD12 LEU 89 -1.548 11.764 -7.618 555 HD13 LEU 89 HD13 LEU 89 -1.933 13.479 -7.721 556 HD21 LEU 89 HD21 LEU 89 -3.299 14.591 -5.925 557 HD22 LEU 89 HD22 LEU 89 -3.856 13.666 -4.534 558 HD23 LEU 89 HD23 LEU 89 -4.629 13.442 -6.104 559 H THR 90 H THR 90 -3.000 8.691 -7.187 560 HA THR 90 HA THR 90 -4.337 6.428 -5.836 561 HB THR 90 HB THR 90 -3.658 6.523 -8.816 562 HG1 THR 90 HG1 THR 90 -5.875 7.343 -7.417 563 HG21 THR 90 HG21 THR 90 -4.936 4.413 -8.952 564 HG22 THR 90 HG22 THR 90 -5.208 4.443 -7.209 565 HG23 THR 90 HG23 THR 90 -3.575 4.226 -7.842 566 H VAL 91 H VAL 91 -2.917 5.055 -4.957 567 HA VAL 91 HA VAL 91 -0.055 5.155 -5.621 568 HB VAL 91 HB VAL 91 -1.291 3.369 -3.474 569 HG11 VAL 91 HG11 VAL 91 0.910 3.604 -2.389 570 HG12 VAL 91 HG12 VAL 91 1.455 4.658 -3.697 571 HG13 VAL 91 HG13 VAL 91 1.066 2.968 -4.028 572 HG21 VAL 91 HG21 VAL 91 -2.176 5.588 -2.994 573 HG22 VAL 91 HG22 VAL 91 -0.559 6.285 -3.084 574 HG23 VAL 91 HG23 VAL 91 -0.958 5.146 -1.795 575 H HIS 92 H HIS 92 1.023 3.390 -6.501 576 HA HIS 92 HA HIS 92 -0.631 1.269 -7.711 577 HB2 HIS 92 HB2 HIS 92 2.319 1.979 -8.114 578 HB3 HIS 92 HB3 HIS 92 1.444 0.729 -8.994 579 HD1 HIS 92 HD1 HIS 92 0.652 1.475 -11.226 580 HD2 HIS 92 HD2 HIS 92 0.958 4.660 -8.574 581 HE1 HIS 92 HE1 HIS 92 0.099 3.524 -12.561 582 HE2 HIS 92 HE2 HIS 92 0.055 5.379 -10.877 583 H LEU 93 H LEU 93 -0.980 -0.377 -6.320 584 HA LEU 93 HA LEU 93 1.119 -1.284 -4.467 585 HB2 LEU 93 HB2 LEU 93 -1.023 -0.817 -3.438 586 HB3 LEU 93 HB3 LEU 93 -1.864 -1.834 -4.594 587 HG LEU 93 HG LEU 93 -0.842 -3.867 -3.598 588 HD11 LEU 93 HD11 LEU 93 0.463 -3.775 -1.514 589 HD12 LEU 93 HD12 LEU 93 0.465 -2.010 -1.571 590 HD13 LEU 93 HD13 LEU 93 1.304 -2.936 -2.816 591 HD21 LEU 93 HD21 LEU 93 -2.160 -2.080 -1.547 592 HD22 LEU 93 HD22 LEU 93 -1.979 -3.834 -1.433 593 HD23 LEU 93 HD23 LEU 93 -2.960 -3.138 -2.711 594 H VAL 94 H VAL 94 1.977 -3.249 -4.552 595 HA VAL 94 HA VAL 94 1.014 -5.227 -6.538 596 HB VAL 94 HB VAL 94 3.899 -4.704 -5.643 597 HG11 VAL 94 HG11 VAL 94 4.559 -6.448 -7.268 598 HG12 VAL 94 HG12 VAL 94 2.860 -6.801 -7.585 599 HG13 VAL 94 HG13 VAL 94 3.542 -7.108 -5.987 600 HG21 VAL 94 HG21 VAL 94 4.314 -4.075 -7.997 601 HG22 VAL 94 HG22 VAL 94 3.114 -3.020 -7.247 602 HG23 VAL 94 HG23 VAL 94 2.598 -4.290 -8.358 603 H ILE 95 H ILE 95 0.039 -6.784 -5.443 604 HA ILE 95 HA ILE 95 0.809 -7.464 -2.682 605 HB ILE 95 HB ILE 95 -1.624 -8.369 -4.307 606 HG12 ILE 95 HG12 ILE 95 -1.284 -6.081 -2.312 607 HG13 ILE 95 HG13 ILE 95 -1.791 -5.973 -3.989 608 HG21 ILE 95 HG21 ILE 95 -1.061 -8.634 -1.324 609 HG22 ILE 95 HG22 ILE 95 -1.040 -9.948 -2.502 610 HG23 ILE 95 HG23 ILE 95 -2.551 -9.116 -2.140 611 HD11 ILE 95 HD11 ILE 95 -3.905 -7.009 -3.434 612 HD12 ILE 95 HD12 ILE 95 -3.618 -5.596 -2.423 613 HD13 ILE 95 HD13 ILE 95 -3.394 -7.215 -1.758 614 H LYS 96 H LYS 96 1.642 -9.450 -2.165 615 HA LYS 96 HA LYS 96 2.259 -11.357 -4.360 616 HB2 LYS 96 HB2 LYS 96 4.120 -10.425 -2.115 617 HB3 LYS 96 HB3 LYS 96 4.508 -11.670 -3.303 618 HG2 LYS 96 HG2 LYS 96 4.278 -9.969 -5.119 619 HG3 LYS 96 HG3 LYS 96 3.987 -8.732 -3.894 620 HD2 LYS 96 HD2 LYS 96 6.243 -9.114 -2.963 621 HD3 LYS 96 HD3 LYS 96 6.530 -10.384 -4.157 622 HE2 LYS 96 HE2 LYS 96 6.064 -7.442 -4.763 623 HE3 LYS 96 HE3 LYS 96 7.612 -8.282 -4.833 624 HZ1 LYS 96 HZ1 LYS 96 6.674 -9.706 -6.588 625 HZ2 LYS 96 HZ2 LYS 96 6.714 -8.079 -7.030 626 HZ3 LYS 96 HZ3 LYS 96 5.251 -8.795 -6.573 627 H THR 97 H THR 97 0.027 -11.607 -2.755 628 HA THR 97 HA THR 97 0.434 -13.459 -0.579 629 HB THR 97 HB THR 97 -2.089 -13.822 -0.835 630 HG1 THR 97 HG1 THR 97 -2.563 -11.661 -2.358 631 HG21 THR 97 HG21 THR 97 -2.715 -11.554 -0.073 632 HG22 THR 97 HG22 THR 97 -1.117 -10.965 -0.529 633 HG23 THR 97 HG23 THR 97 -1.282 -12.165 0.753 634 H GLN 98 H GLN 98 -0.218 -13.693 -3.989 635 HA GLN 98 HA GLN 98 -0.705 -15.175 -5.520 636 HB2 GLN 98 HB2 GLN 98 0.389 -17.273 -5.691 637 HB3 GLN 98 HB3 GLN 98 1.508 -16.197 -4.878 638 HG2 GLN 98 HG2 GLN 98 1.178 -17.314 -2.780 639 HG3 GLN 98 HG3 GLN 98 -0.206 -18.206 -3.401 640 HE21 GLN 98 HE21 GLN 98 0.729 -20.165 -2.777 641 HE22 GLN 98 HE22 GLN 98 2.046 -20.873 -3.644 642 H ASN 99 H ASN 99 -1.495 -16.731 -2.361 643 HA ASN 99 HA ASN 99 -3.686 -18.229 -3.453 644 HB2 ASN 99 HB2 ASN 99 -2.806 -17.767 -0.577 645 HB3 ASN 99 HB3 ASN 99 -4.119 -18.847 -1.046 646 HD21 ASN 99 HD21 ASN 99 -3.604 -20.754 -2.205 647 HD22 ASN 99 HD22 ASN 99 -2.007 -21.413 -2.200 648 H ARG 100 H ARG 100 -3.471 -14.942 -2.699 649 HA ARG 100 HA ARG 100 -6.442 -14.796 -2.543 650 HB2 ARG 100 HB2 ARG 100 -4.369 -12.755 -1.616 651 HB3 ARG 100 HB3 ARG 100 -6.067 -12.361 -1.826 652 HG2 ARG 100 HG2 ARG 100 -5.719 -12.719 0.504 653 HG3 ARG 100 HG3 ARG 100 -6.616 -14.112 -0.095 654 HD2 ARG 100 HD2 ARG 100 -4.426 -15.376 -0.195 655 HD3 ARG 100 HD3 ARG 100 -3.659 -13.989 0.577 656 HE ARG 100 HE ARG 100 -4.910 -14.409 2.547 657 HH11 ARG 100 HH11 ARG 100 -5.342 -16.935 0.144 658 HH12 ARG 100 HH12 ARG 100 -5.828 -18.126 1.300 659 HH21 ARG 100 HH21 ARG 100 -5.559 -15.985 4.063 660 HH22 ARG 100 HH22 ARG 100 -5.947 -17.588 3.526 661 HA PRO 101 HA PRO 101 -5.237 -13.402 -6.802 662 HB2 PRO 101 HB2 PRO 101 -7.018 -14.879 -8.232 663 HB3 PRO 101 HB3 PRO 101 -5.510 -15.565 -7.618 664 HG2 PRO 101 HG2 PRO 101 -8.299 -15.859 -6.551 665 HG3 PRO 101 HG3 PRO 101 -6.995 -17.062 -6.630 666 HD2 PRO 101 HD2 PRO 101 -7.696 -15.569 -4.359 667 HD3 PRO 101 HD3 PRO 101 -6.148 -16.412 -4.587 Start of MODEL 2 1 HA PRO 23 HA PRO 23 -11.144 19.865 8.018 2 HB2 PRO 23 HB2 PRO 23 -9.160 17.979 8.664 3 HB3 PRO 23 HB3 PRO 23 -9.044 19.722 8.971 4 HG2 PRO 23 HG2 PRO 23 -9.942 17.531 10.826 5 HG3 PRO 23 HG3 PRO 23 -8.897 18.928 11.164 6 HD2 PRO 23 HD2 PRO 23 -11.468 18.963 11.928 7 HD3 PRO 23 HD3 PRO 23 -10.717 20.429 11.269 8 H LYS 24 H LYS 24 -11.170 18.499 6.187 9 HA LYS 24 HA LYS 24 -12.636 16.007 6.286 10 HB2 LYS 24 HB2 LYS 24 -12.720 17.446 4.243 11 HB3 LYS 24 HB3 LYS 24 -10.995 17.200 3.993 12 HG2 LYS 24 HG2 LYS 24 -11.410 14.758 3.714 13 HG3 LYS 24 HG3 LYS 24 -13.135 15.041 3.892 14 HD2 LYS 24 HD2 LYS 24 -11.478 16.289 1.664 15 HD3 LYS 24 HD3 LYS 24 -12.245 14.705 1.515 16 HE2 LYS 24 HE2 LYS 24 -13.666 16.340 0.459 17 HE3 LYS 24 HE3 LYS 24 -14.462 15.798 1.934 18 HZ1 LYS 24 HZ1 LYS 24 -12.962 18.340 1.595 19 HZ2 LYS 24 HZ2 LYS 24 -13.720 17.832 3.018 20 HZ3 LYS 24 HZ3 LYS 24 -14.643 18.172 1.648 21 H ILE 25 H ILE 25 -11.818 13.940 6.029 22 HA ILE 25 HA ILE 25 -9.067 13.456 6.839 23 HB ILE 25 HB ILE 25 -11.145 12.194 7.697 24 HG12 ILE 25 HG12 ILE 25 -8.837 10.487 6.667 25 HG13 ILE 25 HG13 ILE 25 -8.746 11.520 8.089 26 HG21 ILE 25 HG21 ILE 25 -10.831 10.662 5.087 27 HG22 ILE 25 HG22 ILE 25 -12.192 11.711 5.505 28 HG23 ILE 25 HG23 ILE 25 -11.902 10.236 6.428 29 HD11 ILE 25 HD11 ILE 25 -10.479 10.188 9.160 30 HD12 ILE 25 HD12 ILE 25 -9.077 9.222 8.699 31 HD13 ILE 25 HD13 ILE 25 -10.553 9.146 7.738 32 H MET 26 H MET 26 -7.581 12.122 5.509 33 HA MET 26 HA MET 26 -7.698 13.101 2.774 34 HB2 MET 26 HB2 MET 26 -5.552 11.564 4.287 35 HB3 MET 26 HB3 MET 26 -5.386 12.045 2.602 36 HG2 MET 26 HG2 MET 26 -5.696 13.909 4.965 37 HG3 MET 26 HG3 MET 26 -4.219 13.601 4.056 38 HE1 MET 26 HE1 MET 26 -6.974 16.109 4.544 39 HE2 MET 26 HE2 MET 26 -7.966 14.979 3.621 40 HE3 MET 26 HE3 MET 26 -7.543 16.539 2.927 41 H LYS 27 H LYS 27 -8.859 12.078 1.370 42 HA LYS 27 HA LYS 27 -9.445 9.236 1.461 43 HB2 LYS 27 HB2 LYS 27 -10.233 11.246 -0.696 44 HB3 LYS 27 HB3 LYS 27 -11.003 9.703 -0.339 45 HG2 LYS 27 HG2 LYS 27 -11.025 12.168 1.435 46 HG3 LYS 27 HG3 LYS 27 -12.362 11.600 0.436 47 HD2 LYS 27 HD2 LYS 27 -11.167 10.142 2.830 48 HD3 LYS 27 HD3 LYS 27 -12.693 11.029 2.802 49 HE2 LYS 27 HE2 LYS 27 -12.054 8.504 1.224 50 HE3 LYS 27 HE3 LYS 27 -13.128 8.623 2.617 51 HZ1 LYS 27 HZ1 LYS 27 -14.332 8.565 0.513 52 HZ2 LYS 27 HZ2 LYS 27 -13.555 9.976 0.007 53 HZ3 LYS 27 HZ3 LYS 27 -14.603 10.023 1.331 54 H VAL 28 H VAL 28 -7.614 8.144 0.971 55 HA VAL 28 HA VAL 28 -6.035 8.826 -1.422 56 HB VAL 28 HB VAL 28 -5.330 7.026 0.944 57 HG11 VAL 28 HG11 VAL 28 -3.610 8.001 -1.361 58 HG12 VAL 28 HG12 VAL 28 -4.149 6.347 -1.074 59 HG13 VAL 28 HG13 VAL 28 -3.023 7.110 0.044 60 HG21 VAL 28 HG21 VAL 28 -5.562 9.362 1.658 61 HG22 VAL 28 HG22 VAL 28 -4.460 9.894 0.379 62 HG23 VAL 28 HG23 VAL 28 -3.867 8.875 1.691 63 H THR 29 H THR 29 -6.807 7.740 -3.131 64 HA THR 29 HA THR 29 -7.851 5.030 -2.947 65 HB THR 29 HB THR 29 -7.325 6.733 -5.442 66 HG1 THR 29 HG1 THR 29 -8.876 7.487 -3.689 67 HG21 THR 29 HG21 THR 29 -9.128 4.312 -4.999 68 HG22 THR 29 HG22 THR 29 -7.629 4.321 -5.933 69 HG23 THR 29 HG23 THR 29 -9.022 5.253 -6.485 70 H VAL 30 H VAL 30 -6.787 3.212 -3.680 71 HA VAL 30 HA VAL 30 -3.991 3.429 -4.601 72 HB VAL 30 HB VAL 30 -5.144 1.526 -2.503 73 HG11 VAL 30 HG11 VAL 30 -3.731 0.188 -3.975 74 HG12 VAL 30 HG12 VAL 30 -2.919 0.426 -2.431 75 HG13 VAL 30 HG13 VAL 30 -2.416 1.359 -3.845 76 HG21 VAL 30 HG21 VAL 30 -3.360 2.455 -1.056 77 HG22 VAL 30 HG22 VAL 30 -4.434 3.723 -1.641 78 HG23 VAL 30 HG23 VAL 30 -2.836 3.520 -2.366 79 H LYS 31 H LYS 31 -3.802 2.583 -6.528 80 HA LYS 31 HA LYS 31 -5.889 0.854 -7.654 81 HB2 LYS 31 HB2 LYS 31 -5.379 2.986 -8.791 82 HB3 LYS 31 HB3 LYS 31 -3.694 2.527 -8.963 83 HG2 LYS 31 HG2 LYS 31 -5.835 0.817 -10.228 84 HG3 LYS 31 HG3 LYS 31 -5.384 2.339 -10.993 85 HD2 LYS 31 HD2 LYS 31 -3.036 1.568 -11.154 86 HD3 LYS 31 HD3 LYS 31 -3.473 0.049 -10.367 87 HE2 LYS 31 HE2 LYS 31 -3.294 -0.270 -12.780 88 HE3 LYS 31 HE3 LYS 31 -4.971 -0.482 -12.275 89 HZ1 LYS 31 HZ1 LYS 31 -4.760 0.845 -14.294 90 HZ2 LYS 31 HZ2 LYS 31 -3.853 1.994 -13.454 91 HZ3 LYS 31 HZ3 LYS 31 -5.463 1.729 -13.045 92 H THR 32 H THR 32 -5.482 -1.121 -8.347 93 HA THR 32 HA THR 32 -2.739 -2.214 -8.600 94 HB THR 32 HB THR 32 -3.616 -4.399 -7.726 95 HG1 THR 32 HG1 THR 32 -5.968 -2.956 -6.981 96 HG21 THR 32 HG21 THR 32 -3.819 -3.798 -5.338 97 HG22 THR 32 HG22 THR 32 -4.059 -2.106 -5.785 98 HG23 THR 32 HG23 THR 32 -2.517 -2.900 -6.122 99 HA PRO 33 HA PRO 33 -4.098 -3.720 -12.669 100 HB2 PRO 33 HB2 PRO 33 -3.303 -6.399 -12.622 101 HB3 PRO 33 HB3 PRO 33 -2.208 -5.034 -12.907 102 HG2 PRO 33 HG2 PRO 33 -2.783 -6.480 -10.319 103 HG3 PRO 33 HG3 PRO 33 -1.208 -6.061 -11.039 104 HD2 PRO 33 HD2 PRO 33 -2.206 -4.540 -9.105 105 HD3 PRO 33 HD3 PRO 33 -1.450 -3.765 -10.518 106 H LYS 34 H LYS 34 -5.398 -4.974 -9.778 107 HA LYS 34 HA LYS 34 -7.328 -6.794 -11.045 108 HB2 LYS 34 HB2 LYS 34 -6.800 -6.394 -8.072 109 HB3 LYS 34 HB3 LYS 34 -7.572 -7.773 -8.856 110 HG2 LYS 34 HG2 LYS 34 -5.406 -8.366 -9.920 111 HG3 LYS 34 HG3 LYS 34 -4.633 -7.007 -9.101 112 HD2 LYS 34 HD2 LYS 34 -5.897 -9.436 -7.782 113 HD3 LYS 34 HD3 LYS 34 -4.172 -9.112 -7.933 114 HE2 LYS 34 HE2 LYS 34 -4.365 -7.188 -6.433 115 HE3 LYS 34 HE3 LYS 34 -6.118 -7.386 -6.352 116 HZ1 LYS 34 HZ1 LYS 34 -5.795 -9.539 -5.298 117 HZ2 LYS 34 HZ2 LYS 34 -5.027 -8.329 -4.403 118 HZ3 LYS 34 HZ3 LYS 34 -4.119 -9.366 -5.385 119 H GLU 35 H GLU 35 -7.168 -4.120 -8.680 120 HA GLU 35 HA GLU 35 -9.827 -3.112 -9.302 121 HB2 GLU 35 HB2 GLU 35 -10.745 -3.499 -7.041 122 HB3 GLU 35 HB3 GLU 35 -10.329 -5.030 -7.806 123 HG2 GLU 35 HG2 GLU 35 -8.161 -5.007 -6.525 124 HG3 GLU 35 HG3 GLU 35 -8.739 -3.582 -5.665 125 H LYS 36 H LYS 36 -10.309 -1.492 -7.163 126 HA LYS 36 HA LYS 36 -7.861 -0.183 -6.261 127 HB2 LYS 36 HB2 LYS 36 -8.608 2.075 -6.999 128 HB3 LYS 36 HB3 LYS 36 -8.289 0.998 -8.352 129 HG2 LYS 36 HG2 LYS 36 -10.791 0.581 -8.494 130 HG3 LYS 36 HG3 LYS 36 -11.003 1.871 -7.309 131 HD2 LYS 36 HD2 LYS 36 -9.738 2.151 -10.066 132 HD3 LYS 36 HD3 LYS 36 -11.354 2.690 -9.612 133 HE2 LYS 36 HE2 LYS 36 -10.363 4.306 -8.026 134 HE3 LYS 36 HE3 LYS 36 -8.745 3.769 -8.485 135 HZ1 LYS 36 HZ1 LYS 36 -9.145 4.537 -10.722 136 HZ2 LYS 36 HZ2 LYS 36 -9.407 5.796 -9.628 137 HZ3 LYS 36 HZ3 LYS 36 -10.721 4.999 -10.326 138 H GLU 37 H GLU 37 -8.040 0.376 -4.216 139 HA GLU 37 HA GLU 37 -10.686 0.574 -2.884 140 HB2 GLU 37 HB2 GLU 37 -8.015 -0.499 -1.866 141 HB3 GLU 37 HB3 GLU 37 -9.379 -0.166 -0.802 142 HG2 GLU 37 HG2 GLU 37 -9.441 -2.148 -3.102 143 HG3 GLU 37 HG3 GLU 37 -9.124 -2.568 -1.418 144 H GLU 38 H GLU 38 -11.050 2.353 -1.599 145 HA GLU 38 HA GLU 38 -8.983 4.467 -1.540 146 HB2 GLU 38 HB2 GLU 38 -11.070 5.045 -2.755 147 HB3 GLU 38 HB3 GLU 38 -12.020 4.710 -1.311 148 HG2 GLU 38 HG2 GLU 38 -10.867 6.560 -0.134 149 HG3 GLU 38 HG3 GLU 38 -9.921 6.890 -1.586 150 H PHE 39 H PHE 39 -8.233 5.079 0.352 151 HA PHE 39 HA PHE 39 -9.210 3.876 2.861 152 HB2 PHE 39 HB2 PHE 39 -6.374 4.768 2.118 153 HB3 PHE 39 HB3 PHE 39 -6.850 3.997 3.629 154 HD1 PHE 39 HD1 PHE 39 -6.433 3.468 -0.024 155 HD2 PHE 39 HD2 PHE 39 -7.059 1.611 3.771 156 HE1 PHE 39 HE1 PHE 39 -6.020 1.253 -1.024 157 HE2 PHE 39 HE2 PHE 39 -6.636 -0.583 2.766 158 HZ PHE 39 HZ PHE 39 -6.117 -0.768 0.369 159 H ALA 40 H ALA 40 -9.979 5.354 4.279 160 HA ALA 40 HA ALA 40 -9.404 8.212 4.014 161 HB1 ALA 40 HB1 ALA 40 -11.722 7.505 4.409 162 HB2 ALA 40 HB2 ALA 40 -11.127 8.451 5.773 163 HB3 ALA 40 HB3 ALA 40 -11.241 6.697 5.901 164 H VAL 41 H VAL 41 -7.534 8.867 4.924 165 HA VAL 41 HA VAL 41 -6.567 7.629 7.441 166 HB VAL 41 HB VAL 41 -4.246 7.846 6.669 167 HG11 VAL 41 HG11 VAL 41 -4.228 6.040 5.004 168 HG12 VAL 41 HG12 VAL 41 -5.940 6.305 4.676 169 HG13 VAL 41 HG13 VAL 41 -5.423 5.732 6.263 170 HG21 VAL 41 HG21 VAL 41 -5.365 8.801 4.001 171 HG22 VAL 41 HG22 VAL 41 -3.678 8.385 4.305 172 HG23 VAL 41 HG23 VAL 41 -4.408 9.758 5.134 173 HA PRO 42 HA PRO 42 -6.786 11.861 8.789 174 HB2 PRO 42 HB2 PRO 42 -5.888 11.609 11.315 175 HB3 PRO 42 HB3 PRO 42 -7.373 10.805 10.791 176 HG2 PRO 42 HG2 PRO 42 -4.612 9.646 11.113 177 HG3 PRO 42 HG3 PRO 42 -6.177 8.973 11.622 178 HD2 PRO 42 HD2 PRO 42 -4.868 8.265 9.282 179 HD3 PRO 42 HD3 PRO 42 -6.620 8.112 9.523 180 H GLU 43 H GLU 43 -4.533 11.367 7.105 181 HA GLU 43 HA GLU 43 -2.584 12.152 6.351 182 HB2 GLU 43 HB2 GLU 43 -2.267 14.535 6.478 183 HB3 GLU 43 HB3 GLU 43 -3.992 14.209 6.414 184 HG2 GLU 43 HG2 GLU 43 -4.145 14.605 8.848 185 HG3 GLU 43 HG3 GLU 43 -2.416 14.946 8.894 186 H ASN 44 H ASN 44 -2.444 10.832 9.106 187 HA ASN 44 HA ASN 44 0.325 11.591 9.770 188 HB2 ASN 44 HB2 ASN 44 -2.004 11.230 11.699 189 HB3 ASN 44 HB3 ASN 44 -0.340 11.013 12.232 190 HD21 ASN 44 HD21 ASN 44 -2.677 13.352 11.067 191 HD22 ASN 44 HD22 ASN 44 -1.793 14.754 11.541 192 H SER 45 H SER 45 -1.811 9.210 8.779 193 HA SER 45 HA SER 45 -0.691 6.884 9.893 194 HB2 SER 45 HB2 SER 45 -1.967 7.283 7.144 195 HB3 SER 45 HB3 SER 45 -1.694 5.724 7.930 196 HG SER 45 HG SER 45 -3.746 6.232 8.433 197 H SER 46 H SER 46 1.312 6.072 9.640 198 HA SER 46 HA SER 46 3.114 6.829 7.507 199 HB2 SER 46 HB2 SER 46 4.604 5.079 8.491 200 HB3 SER 46 HB3 SER 46 4.016 6.200 9.718 201 HG SER 46 HG SER 46 3.693 4.236 10.596 202 H VAL 47 H VAL 47 4.019 5.179 5.976 203 HA VAL 47 HA VAL 47 2.048 3.575 4.682 204 HB VAL 47 HB VAL 47 5.080 3.463 4.410 205 HG11 VAL 47 HG11 VAL 47 2.961 2.371 2.513 206 HG12 VAL 47 HG12 VAL 47 4.062 1.411 3.503 207 HG13 VAL 47 HG13 VAL 47 4.701 2.411 2.198 208 HG21 VAL 47 HG21 VAL 47 3.065 4.982 2.707 209 HG22 VAL 47 HG22 VAL 47 4.816 4.953 2.488 210 HG23 VAL 47 HG23 VAL 47 4.125 5.703 3.922 211 H GLN 48 H GLN 48 4.342 2.993 7.258 212 HA GLN 48 HA GLN 48 4.322 0.201 7.502 213 HB2 GLN 48 HB2 GLN 48 5.769 1.804 8.821 214 HB3 GLN 48 HB3 GLN 48 4.358 2.238 9.775 215 HG2 GLN 48 HG2 GLN 48 4.197 -0.151 10.526 216 HG3 GLN 48 HG3 GLN 48 5.685 -0.490 9.650 217 HE21 GLN 48 HE21 GLN 48 4.289 1.059 12.446 218 HE22 GLN 48 HE22 GLN 48 5.775 1.367 13.273 219 H GLN 49 H GLN 49 1.985 2.630 8.549 220 HA GLN 49 HA GLN 49 0.216 0.677 9.817 221 HB2 GLN 49 HB2 GLN 49 -0.027 3.691 9.403 222 HB3 GLN 49 HB3 GLN 49 -1.194 2.712 10.287 223 HG2 GLN 49 HG2 GLN 49 0.432 2.192 11.998 224 HG3 GLN 49 HG3 GLN 49 1.717 2.974 11.076 225 HE21 GLN 49 HE21 GLN 49 0.664 3.532 13.800 226 HE22 GLN 49 HE22 GLN 49 0.230 5.203 13.792 227 H PHE 50 H PHE 50 0.559 2.369 6.813 228 HA PHE 50 HA PHE 50 -2.198 2.378 6.032 229 HB2 PHE 50 HB2 PHE 50 -0.523 4.107 5.335 230 HB3 PHE 50 HB3 PHE 50 0.287 2.899 4.350 231 HD1 PHE 50 HD1 PHE 50 -2.904 4.786 4.745 232 HD2 PHE 50 HD2 PHE 50 -0.492 2.416 2.143 233 HE1 PHE 50 HE1 PHE 50 -4.369 5.358 2.853 234 HE2 PHE 50 HE2 PHE 50 -1.964 2.991 0.264 235 HZ PHE 50 HZ PHE 50 -3.902 4.461 0.615 236 H LYS 51 H LYS 51 0.637 0.379 5.148 237 HA LYS 51 HA LYS 51 -0.775 -1.144 3.173 238 HB2 LYS 51 HB2 LYS 51 1.193 -2.234 2.678 239 HB3 LYS 51 HB3 LYS 51 1.839 -0.778 3.407 240 HG2 LYS 51 HG2 LYS 51 1.564 -3.472 4.775 241 HG3 LYS 51 HG3 LYS 51 3.046 -2.818 4.085 242 HD2 LYS 51 HD2 LYS 51 2.871 -0.910 5.750 243 HD3 LYS 51 HD3 LYS 51 1.516 -1.759 6.490 244 HE2 LYS 51 HE2 LYS 51 3.625 -2.165 7.700 245 HE3 LYS 51 HE3 LYS 51 2.967 -3.661 7.031 246 HZ1 LYS 51 HZ1 LYS 51 4.543 -3.456 5.192 247 HZ2 LYS 51 HZ2 LYS 51 5.331 -3.530 6.686 248 HZ3 LYS 51 HZ3 LYS 51 5.182 -2.053 5.882 249 H GLU 52 H GLU 52 -0.624 -1.310 6.589 250 HA GLU 52 HA GLU 52 -1.480 -4.035 6.912 251 HB2 GLU 52 HB2 GLU 52 -1.773 -1.677 8.821 252 HB3 GLU 52 HB3 GLU 52 -2.014 -3.373 9.241 253 HG2 GLU 52 HG2 GLU 52 0.368 -3.818 8.684 254 HG3 GLU 52 HG3 GLU 52 0.594 -2.103 8.356 255 H GLU 53 H GLU 53 -3.086 -0.896 6.614 256 HA GLU 53 HA GLU 53 -5.769 -1.799 6.741 257 HB2 GLU 53 HB2 GLU 53 -4.553 0.617 5.330 258 HB3 GLU 53 HB3 GLU 53 -6.285 0.333 5.452 259 HG2 GLU 53 HG2 GLU 53 -4.398 0.730 7.791 260 HG3 GLU 53 HG3 GLU 53 -5.486 1.948 7.126 261 H ILE 54 H ILE 54 -3.484 -1.420 4.049 262 HA ILE 54 HA ILE 54 -5.132 -2.272 1.932 263 HB ILE 54 HB ILE 54 -2.114 -2.528 2.284 264 HG12 ILE 54 HG12 ILE 54 -3.739 -0.393 0.817 265 HG13 ILE 54 HG13 ILE 54 -2.898 -0.177 2.347 266 HG21 ILE 54 HG21 ILE 54 -3.697 -2.780 -0.287 267 HG22 ILE 54 HG22 ILE 54 -2.892 -4.096 0.568 268 HG23 ILE 54 HG23 ILE 54 -1.937 -2.798 -0.142 269 HD11 ILE 54 HD11 ILE 54 -1.587 -0.749 -0.317 270 HD12 ILE 54 HD12 ILE 54 -0.753 -0.513 1.224 271 HD13 ILE 54 HD13 ILE 54 -1.668 0.809 0.506 272 H SER 55 H SER 55 -3.205 -4.083 4.282 273 HA SER 55 HA SER 55 -3.130 -6.598 3.051 274 HB2 SER 55 HB2 SER 55 -1.671 -5.976 4.945 275 HB3 SER 55 HB3 SER 55 -3.059 -5.967 6.031 276 HG SER 55 HG SER 55 -2.522 -8.284 4.535 277 H LYS 56 H LYS 56 -5.503 -5.198 5.259 278 HA LYS 56 HA LYS 56 -7.096 -7.628 5.405 279 HB2 LYS 56 HB2 LYS 56 -8.496 -6.318 6.973 280 HB3 LYS 56 HB3 LYS 56 -6.793 -6.255 7.409 281 HG2 LYS 56 HG2 LYS 56 -6.710 -4.002 6.196 282 HG3 LYS 56 HG3 LYS 56 -8.471 -4.067 6.155 283 HD2 LYS 56 HD2 LYS 56 -6.748 -4.110 8.669 284 HD3 LYS 56 HD3 LYS 56 -7.630 -2.710 8.057 285 HE2 LYS 56 HE2 LYS 56 -8.866 -5.308 9.037 286 HE3 LYS 56 HE3 LYS 56 -8.837 -3.777 9.912 287 HZ1 LYS 56 HZ1 LYS 56 -10.166 -2.800 8.127 288 HZ2 LYS 56 HZ2 LYS 56 -10.950 -4.094 8.861 289 HZ3 LYS 56 HZ3 LYS 56 -10.241 -4.301 7.346 290 H ARG 57 H ARG 57 -6.910 -5.022 3.233 291 HA ARG 57 HA ARG 57 -9.676 -5.184 2.297 292 HB2 ARG 57 HB2 ARG 57 -7.226 -3.843 1.061 293 HB3 ARG 57 HB3 ARG 57 -8.857 -3.726 0.416 294 HG2 ARG 57 HG2 ARG 57 -8.074 -2.733 3.159 295 HG3 ARG 57 HG3 ARG 57 -8.013 -1.741 1.709 296 HD2 ARG 57 HD2 ARG 57 -10.493 -2.223 1.419 297 HD3 ARG 57 HD3 ARG 57 -10.453 -2.925 3.041 298 HE ARG 57 HE ARG 57 -9.836 -0.780 3.926 299 HH11 ARG 57 HH11 ARG 57 -11.024 -0.666 0.613 300 HH12 ARG 57 HH12 ARG 57 -11.227 1.057 0.629 301 HH21 ARG 57 HH21 ARG 57 -10.061 1.481 3.898 302 HH22 ARG 57 HH22 ARG 57 -10.678 2.263 2.478 303 H PHE 58 H PHE 58 -6.491 -5.759 0.793 304 HA PHE 58 HA PHE 58 -7.600 -7.281 -1.405 305 HB2 PHE 58 HB2 PHE 58 -4.729 -6.512 -0.721 306 HB3 PHE 58 HB3 PHE 58 -5.213 -7.321 -2.208 307 HD1 PHE 58 HD1 PHE 58 -5.480 -4.149 -0.288 308 HD2 PHE 58 HD2 PHE 58 -6.179 -6.069 -4.040 309 HE1 PHE 58 HE1 PHE 58 -5.880 -1.958 -1.332 310 HE2 PHE 58 HE2 PHE 58 -6.570 -3.876 -5.073 311 HZ PHE 58 HZ PHE 58 -6.426 -1.821 -3.730 312 H LYS 59 H LYS 59 -6.672 -8.111 1.700 313 HA LYS 59 HA LYS 59 -6.218 -10.003 2.829 314 HB2 LYS 59 HB2 LYS 59 -7.201 -11.529 0.383 315 HB3 LYS 59 HB3 LYS 59 -7.198 -12.088 2.051 316 HG2 LYS 59 HG2 LYS 59 -8.938 -9.908 0.858 317 HG3 LYS 59 HG3 LYS 59 -9.460 -11.510 1.384 318 HD2 LYS 59 HD2 LYS 59 -8.933 -10.916 3.720 319 HD3 LYS 59 HD3 LYS 59 -8.356 -9.330 3.203 320 HE2 LYS 59 HE2 LYS 59 -10.619 -9.170 4.120 321 HE3 LYS 59 HE3 LYS 59 -10.627 -8.770 2.402 322 HZ1 LYS 59 HZ1 LYS 59 -11.410 -11.026 1.939 323 HZ2 LYS 59 HZ2 LYS 59 -12.471 -10.198 2.954 324 HZ3 LYS 59 HZ3 LYS 59 -11.436 -11.365 3.595 325 H SER 60 H SER 60 -4.166 -8.793 1.456 326 HA SER 60 HA SER 60 -2.338 -10.983 0.637 327 HB2 SER 60 HB2 SER 60 -2.370 -8.074 -0.297 328 HB3 SER 60 HB3 SER 60 -1.258 -9.331 -0.848 329 HG SER 60 HG SER 60 -3.938 -9.956 -1.103 330 H HIS 61 H HIS 61 -0.298 -10.943 1.628 331 HA HIS 61 HA HIS 61 -0.283 -9.915 4.259 332 HB2 HIS 61 HB2 HIS 61 0.778 -12.075 3.559 333 HB3 HIS 61 HB3 HIS 61 2.059 -11.164 2.765 334 HD1 HIS 61 HD1 HIS 61 0.603 -11.716 6.222 335 HD2 HIS 61 HD2 HIS 61 4.134 -10.432 4.444 336 HE1 HIS 61 HE1 HIS 61 2.232 -11.414 8.100 337 HE2 HIS 61 HE2 HIS 61 4.318 -10.515 7.015 338 H THR 62 H THR 62 0.930 -8.390 5.282 339 HA THR 62 HA THR 62 1.091 -5.884 4.188 340 HB THR 62 HB THR 62 2.542 -5.346 6.272 341 HG1 THR 62 HG1 THR 62 2.152 -7.458 7.699 342 HG21 THR 62 HG21 THR 62 0.686 -5.732 7.849 343 HG22 THR 62 HG22 THR 62 -0.069 -6.837 6.699 344 HG23 THR 62 HG23 THR 62 0.087 -5.125 6.302 345 H ASP 63 H ASP 63 3.857 -8.057 4.779 346 HA ASP 63 HA ASP 63 5.905 -6.255 4.111 347 HB2 ASP 63 HB2 ASP 63 5.870 -9.300 4.127 348 HB3 ASP 63 HB3 ASP 63 7.339 -8.350 3.899 349 H GLN 64 H GLN 64 3.932 -8.281 2.008 350 HA GLN 64 HA GLN 64 5.769 -7.887 -0.264 351 HB2 GLN 64 HB2 GLN 64 3.261 -9.588 -0.036 352 HB3 GLN 64 HB3 GLN 64 4.295 -9.493 -1.460 353 HG2 GLN 64 HG2 GLN 64 6.204 -10.280 0.064 354 HG3 GLN 64 HG3 GLN 64 4.958 -10.657 1.249 355 HE21 GLN 64 HE21 GLN 64 3.548 -12.414 0.838 356 HE22 GLN 64 HE22 GLN 64 3.895 -13.598 -0.373 357 H LEU 65 H LEU 65 3.359 -6.148 1.088 358 HA LEU 65 HA LEU 65 2.149 -5.106 -1.379 359 HB2 LEU 65 HB2 LEU 65 1.809 -4.343 1.556 360 HB3 LEU 65 HB3 LEU 65 0.886 -3.640 0.234 361 HG LEU 65 HG LEU 65 0.822 -6.603 0.917 362 HD11 LEU 65 HD11 LEU 65 -0.022 -5.374 2.834 363 HD12 LEU 65 HD12 LEU 65 -1.342 -6.190 2.002 364 HD13 LEU 65 HD13 LEU 65 -1.115 -4.452 1.800 365 HD21 LEU 65 HD21 LEU 65 -1.232 -6.604 -0.452 366 HD22 LEU 65 HD22 LEU 65 0.179 -6.117 -1.384 367 HD23 LEU 65 HD23 LEU 65 -0.977 -4.899 -0.837 368 H VAL 66 H VAL 66 3.834 -4.053 -2.457 369 HA VAL 66 HA VAL 66 5.152 -1.817 -1.024 370 HB VAL 66 HB VAL 66 6.793 -1.709 -2.912 371 HG11 VAL 66 HG11 VAL 66 6.685 -4.396 -1.485 372 HG12 VAL 66 HG12 VAL 66 7.372 -2.902 -0.846 373 HG13 VAL 66 HG13 VAL 66 8.118 -3.688 -2.238 374 HG21 VAL 66 HG21 VAL 66 5.471 -2.764 -4.716 375 HG22 VAL 66 HG22 VAL 66 5.526 -4.314 -3.876 376 HG23 VAL 66 HG23 VAL 66 7.012 -3.596 -4.504 377 H LEU 67 H LEU 67 4.213 0.043 -1.261 378 HA LEU 67 HA LEU 67 2.681 0.854 -3.605 379 HB2 LEU 67 HB2 LEU 67 3.674 2.393 -1.171 380 HB3 LEU 67 HB3 LEU 67 2.618 3.063 -2.405 381 HG LEU 67 HG LEU 67 1.874 0.744 -0.584 382 HD11 LEU 67 HD11 LEU 67 0.454 2.352 0.600 383 HD12 LEU 67 HD12 LEU 67 1.060 3.660 -0.417 384 HD13 LEU 67 HD13 LEU 67 2.150 2.821 0.689 385 HD21 LEU 67 HD21 LEU 67 -0.424 1.122 -1.411 386 HD22 LEU 67 HD22 LEU 67 0.665 0.664 -2.717 387 HD23 LEU 67 HD23 LEU 67 0.175 2.352 -2.529 388 H ILE 68 H ILE 68 3.449 2.319 -5.159 389 HA ILE 68 HA ILE 68 6.258 3.214 -4.954 390 HB ILE 68 HB ILE 68 4.839 2.380 -7.534 391 HG12 ILE 68 HG12 ILE 68 6.980 0.850 -7.662 392 HG13 ILE 68 HG13 ILE 68 7.121 1.130 -5.939 393 HG21 ILE 68 HG21 ILE 68 6.182 4.381 -7.971 394 HG22 ILE 68 HG22 ILE 68 6.971 2.983 -8.701 395 HG23 ILE 68 HG23 ILE 68 7.588 3.657 -7.189 396 HD11 ILE 68 HD11 ILE 68 4.779 -0.176 -7.334 397 HD12 ILE 68 HD12 ILE 68 4.920 0.094 -5.595 398 HD13 ILE 68 HD13 ILE 68 6.044 -0.990 -6.414 399 H PHE 69 H PHE 69 6.495 5.269 -5.000 400 HA PHE 69 HA PHE 69 4.976 7.149 -6.514 401 HB2 PHE 69 HB2 PHE 69 3.522 6.543 -4.357 402 HB3 PHE 69 HB3 PHE 69 4.649 7.600 -3.522 403 HD1 PHE 69 HD1 PHE 69 4.727 10.065 -4.138 404 HD2 PHE 69 HD2 PHE 69 1.814 7.414 -5.816 405 HE1 PHE 69 HE1 PHE 69 3.365 11.988 -4.837 406 HE2 PHE 69 HE2 PHE 69 0.460 9.350 -6.510 407 HZ PHE 69 HZ PHE 69 1.234 11.639 -6.019 408 H ALA 70 H ALA 70 6.006 9.182 -6.516 409 HA ALA 70 HA ALA 70 7.743 10.631 -6.510 410 HB1 ALA 70 HB1 ALA 70 7.285 10.812 -4.091 411 HB2 ALA 70 HB2 ALA 70 9.006 11.002 -4.430 412 HB3 ALA 70 HB3 ALA 70 8.400 9.481 -3.772 413 H GLY 71 H GLY 71 8.029 7.775 -7.432 414 HA2 GLY 71 HA2 GLY 71 9.592 6.884 -8.884 415 HA3 GLY 71 HA3 GLY 71 10.802 7.993 -8.263 416 H LYS 72 H LYS 72 9.287 6.406 -5.676 417 HA LYS 72 HA LYS 72 11.245 4.189 -5.616 418 HB2 LYS 72 HB2 LYS 72 11.764 4.792 -3.181 419 HB3 LYS 72 HB3 LYS 72 12.445 5.854 -4.398 420 HG2 LYS 72 HG2 LYS 72 11.713 7.366 -2.771 421 HG3 LYS 72 HG3 LYS 72 10.386 7.381 -3.925 422 HD2 LYS 72 HD2 LYS 72 9.399 7.312 -1.729 423 HD3 LYS 72 HD3 LYS 72 9.172 5.717 -2.443 424 HE2 LYS 72 HE2 LYS 72 9.796 5.439 -0.140 425 HE3 LYS 72 HE3 LYS 72 11.149 4.915 -1.142 426 HZ1 LYS 72 HZ1 LYS 72 11.970 6.191 0.646 427 HZ2 LYS 72 HZ2 LYS 72 10.900 7.454 0.354 428 HZ3 LYS 72 HZ3 LYS 72 12.142 7.133 -0.749 429 H ILE 73 H ILE 73 10.706 2.487 -4.137 430 HA ILE 73 HA ILE 73 7.891 2.101 -3.686 431 HB ILE 73 HB ILE 73 8.345 -0.071 -2.753 432 HG12 ILE 73 HG12 ILE 73 10.339 0.465 -1.314 433 HG13 ILE 73 HG13 ILE 73 10.544 -1.014 -2.239 434 HG21 ILE 73 HG21 ILE 73 10.180 0.433 -5.113 435 HG22 ILE 73 HG22 ILE 73 8.455 0.073 -5.173 436 HG23 ILE 73 HG23 ILE 73 9.589 -1.151 -4.603 437 HD11 ILE 73 HD11 ILE 73 11.771 1.662 -2.906 438 HD12 ILE 73 HD12 ILE 73 12.019 0.150 -3.787 439 HD13 ILE 73 HD13 ILE 73 12.585 0.304 -2.125 440 H LEU 74 H LEU 74 6.789 2.899 -2.047 441 HA LEU 74 HA LEU 74 7.866 4.387 0.088 442 HB2 LEU 74 HB2 LEU 74 5.057 3.222 -0.130 443 HB3 LEU 74 HB3 LEU 74 5.562 4.548 0.900 444 HG LEU 74 HG LEU 74 5.327 4.582 -2.124 445 HD11 LEU 74 HD11 LEU 74 3.811 6.118 0.006 446 HD12 LEU 74 HD12 LEU 74 3.190 4.785 -0.971 447 HD13 LEU 74 HD13 LEU 74 3.617 6.311 -1.740 448 HD21 LEU 74 HD21 LEU 74 7.301 5.873 -1.551 449 HD22 LEU 74 HD22 LEU 74 6.408 6.773 -0.324 450 HD23 LEU 74 HD23 LEU 74 6.003 6.964 -2.032 451 H LYS 75 H LYS 75 8.761 3.655 1.900 452 HA LYS 75 HA LYS 75 8.377 0.866 2.752 453 HB2 LYS 75 HB2 LYS 75 10.506 2.894 3.571 454 HB3 LYS 75 HB3 LYS 75 10.457 1.202 4.062 455 HG2 LYS 75 HG2 LYS 75 10.814 2.211 1.225 456 HG3 LYS 75 HG3 LYS 75 12.103 1.614 2.268 457 HD2 LYS 75 HD2 LYS 75 9.727 -0.095 1.432 458 HD3 LYS 75 HD3 LYS 75 11.213 -0.003 0.494 459 HE2 LYS 75 HE2 LYS 75 11.276 -1.998 1.873 460 HE3 LYS 75 HE3 LYS 75 12.482 -0.863 2.466 461 HZ1 LYS 75 HZ1 LYS 75 9.804 -1.294 3.675 462 HZ2 LYS 75 HZ2 LYS 75 11.017 -0.280 4.273 463 HZ3 LYS 75 HZ3 LYS 75 11.257 -1.948 4.244 464 H ASP 76 H ASP 76 8.517 0.526 5.123 465 HA ASP 76 HA ASP 76 6.528 1.686 6.672 466 HB2 ASP 76 HB2 ASP 76 7.756 0.594 8.631 467 HB3 ASP 76 HB3 ASP 76 7.379 -0.473 7.287 468 H GLN 77 H GLN 77 9.859 2.695 6.243 469 HA GLN 77 HA GLN 77 9.914 4.593 8.420 470 HB2 GLN 77 HB2 GLN 77 12.137 5.197 7.539 471 HB3 GLN 77 HB3 GLN 77 11.961 3.461 7.755 472 HG2 GLN 77 HG2 GLN 77 11.629 3.184 5.332 473 HG3 GLN 77 HG3 GLN 77 11.792 4.928 5.105 474 HE21 GLN 77 HE21 GLN 77 13.862 5.859 5.256 475 HE22 GLN 77 HE22 GLN 77 15.309 4.923 5.290 476 H ASP 78 H ASP 78 8.445 4.679 5.435 477 HA ASP 78 HA ASP 78 8.592 7.627 5.108 478 HB2 ASP 78 HB2 ASP 78 7.585 5.473 3.182 479 HB3 ASP 78 HB3 ASP 78 7.575 7.203 2.848 480 H THR 79 H THR 79 6.629 8.809 4.999 481 HA THR 79 HA THR 79 4.093 7.345 5.524 482 HB THR 79 HB THR 79 3.107 9.468 6.281 483 HG1 THR 79 HG1 THR 79 5.454 10.912 6.413 484 HG21 THR 79 HG21 THR 79 5.763 9.028 7.688 485 HG22 THR 79 HG22 THR 79 4.269 8.154 8.018 486 HG23 THR 79 HG23 THR 79 4.365 9.881 8.352 487 H LEU 80 H LEU 80 2.452 7.611 4.031 488 HA LEU 80 HA LEU 80 3.053 8.166 1.364 489 HB2 LEU 80 HB2 LEU 80 0.653 8.041 0.887 490 HB3 LEU 80 HB3 LEU 80 1.178 6.733 1.917 491 HG LEU 80 HG LEU 80 -0.244 9.174 3.046 492 HD11 LEU 80 HD11 LEU 80 -1.690 8.221 1.313 493 HD12 LEU 80 HD12 LEU 80 -2.362 7.963 2.919 494 HD13 LEU 80 HD13 LEU 80 -1.575 6.629 2.069 495 HD21 LEU 80 HD21 LEU 80 0.056 6.347 4.119 496 HD22 LEU 80 HD22 LEU 80 -0.897 7.631 4.868 497 HD23 LEU 80 HD23 LEU 80 0.849 7.799 4.738 498 H SER 81 H SER 81 1.539 10.220 3.808 499 HA SER 81 HA SER 81 0.773 12.388 2.175 500 HB2 SER 81 HB2 SER 81 -0.201 11.986 4.393 501 HB3 SER 81 HB3 SER 81 1.359 12.267 5.162 502 HG SER 81 HG SER 81 -0.096 14.089 5.205 503 H GLN 82 H GLN 82 3.839 11.653 3.813 504 HA GLN 82 HA GLN 82 5.271 14.033 3.475 505 HB2 GLN 82 HB2 GLN 82 6.412 12.373 4.701 506 HB3 GLN 82 HB3 GLN 82 6.049 11.114 3.532 507 HG2 GLN 82 HG2 GLN 82 7.722 12.061 1.985 508 HG3 GLN 82 HG3 GLN 82 8.089 13.327 3.153 509 HE21 GLN 82 HE21 GLN 82 9.352 12.822 4.941 510 HE22 GLN 82 HE22 GLN 82 10.204 11.328 5.086 511 H HIS 83 H HIS 83 4.621 11.445 1.130 512 HA HIS 83 HA HIS 83 6.365 12.615 -0.905 513 HB2 HIS 83 HB2 HIS 83 4.651 10.097 -0.945 514 HB3 HIS 83 HB3 HIS 83 5.742 10.588 -2.245 515 HD1 HIS 83 HD1 HIS 83 8.313 10.452 -1.745 516 HD2 HIS 83 HD2 HIS 83 5.906 8.971 1.289 517 HE1 HIS 83 HE1 HIS 83 9.846 9.193 -0.223 518 HE2 HIS 83 HE2 HIS 83 8.414 8.593 1.744 519 H GLY 84 H GLY 84 3.498 13.590 0.087 520 HA2 GLY 84 HA2 GLY 84 2.344 15.350 -0.916 521 HA3 GLY 84 HA3 GLY 84 2.885 14.819 -2.503 522 H ILE 85 H ILE 85 1.654 12.280 -0.557 523 HA ILE 85 HA ILE 85 -0.656 12.017 -2.319 524 HB ILE 85 HB ILE 85 0.232 10.165 -0.066 525 HG12 ILE 85 HG12 ILE 85 0.867 9.927 -3.052 526 HG13 ILE 85 HG13 ILE 85 2.013 10.465 -1.828 527 HG21 ILE 85 HG21 ILE 85 -1.628 9.668 -2.425 528 HG22 ILE 85 HG22 ILE 85 -2.118 9.859 -0.739 529 HG23 ILE 85 HG23 ILE 85 -1.144 8.471 -1.219 530 HD11 ILE 85 HD11 ILE 85 1.892 8.289 -0.746 531 HD12 ILE 85 HD12 ILE 85 2.373 8.152 -2.435 532 HD13 ILE 85 HD13 ILE 85 0.729 7.744 -1.955 533 H HIS 86 H HIS 86 -2.588 12.787 -1.799 534 HA HIS 86 HA HIS 86 -3.589 12.839 0.940 535 HB2 HIS 86 HB2 HIS 86 -4.235 15.257 0.804 536 HB3 HIS 86 HB3 HIS 86 -2.494 15.024 0.816 537 HD1 HIS 86 HD1 HIS 86 -1.228 15.463 -1.470 538 HD2 HIS 86 HD2 HIS 86 -5.223 16.618 -1.420 539 HE1 HIS 86 HE1 HIS 86 -1.516 16.985 -3.441 540 HE2 HIS 86 HE2 HIS 86 -3.956 17.603 -3.440 541 H ASP 87 H ASP 87 -5.876 14.294 0.535 542 HA ASP 87 HA ASP 87 -7.744 12.654 -0.608 543 HB2 ASP 87 HB2 ASP 87 -8.370 14.465 0.882 544 HB3 ASP 87 HB3 ASP 87 -7.765 15.675 -0.239 545 H GLY 88 H GLY 88 -8.155 12.028 -2.649 546 HA2 GLY 88 HA2 GLY 88 -8.970 12.430 -4.816 547 HA3 GLY 88 HA3 GLY 88 -8.181 13.996 -4.840 548 H LEU 89 H LEU 89 -5.927 11.797 -3.723 549 HA LEU 89 HA LEU 89 -4.776 11.418 -6.419 550 HB2 LEU 89 HB2 LEU 89 -3.500 11.430 -3.667 551 HB3 LEU 89 HB3 LEU 89 -2.670 10.748 -5.061 552 HG LEU 89 HG LEU 89 -2.997 13.025 -6.207 553 HD11 LEU 89 HD11 LEU 89 -3.303 14.981 -4.777 554 HD12 LEU 89 HD12 LEU 89 -3.607 13.934 -3.386 555 HD13 LEU 89 HD13 LEU 89 -4.721 13.932 -4.759 556 HD21 LEU 89 HD21 LEU 89 -0.829 12.245 -5.374 557 HD22 LEU 89 HD22 LEU 89 -1.180 12.923 -3.782 558 HD23 LEU 89 HD23 LEU 89 -1.006 13.988 -5.179 559 H THR 90 H THR 90 -3.471 9.458 -6.695 560 HA THR 90 HA THR 90 -4.590 7.039 -5.461 561 HB THR 90 HB THR 90 -4.191 7.341 -8.473 562 HG1 THR 90 HG1 THR 90 -6.314 8.001 -6.868 563 HG21 THR 90 HG21 THR 90 -3.911 5.019 -7.649 564 HG22 THR 90 HG22 THR 90 -5.379 5.183 -8.608 565 HG23 THR 90 HG23 THR 90 -5.484 5.111 -6.850 566 H VAL 91 H VAL 91 -3.057 5.562 -4.946 567 HA VAL 91 HA VAL 91 -0.244 6.007 -5.754 568 HB VAL 91 HB VAL 91 -1.087 4.122 -3.513 569 HG11 VAL 91 HG11 VAL 91 1.152 4.653 -2.599 570 HG12 VAL 91 HG12 VAL 91 1.444 5.757 -3.946 571 HG13 VAL 91 HG13 VAL 91 1.260 4.028 -4.247 572 HG21 VAL 91 HG21 VAL 91 -2.225 6.214 -2.970 573 HG22 VAL 91 HG22 VAL 91 -0.724 7.118 -3.183 574 HG23 VAL 91 HG23 VAL 91 -0.872 5.955 -1.863 575 H HIS 92 H HIS 92 0.988 4.221 -6.530 576 HA HIS 92 HA HIS 92 -0.615 2.106 -7.836 577 HB2 HIS 92 HB2 HIS 92 2.309 2.892 -8.258 578 HB3 HIS 92 HB3 HIS 92 1.421 1.692 -9.197 579 HD1 HIS 92 HD1 HIS 92 0.193 2.555 -11.204 580 HD2 HIS 92 HD2 HIS 92 1.284 5.607 -8.620 581 HE1 HIS 92 HE1 HIS 92 -0.365 4.675 -12.406 582 HE2 HIS 92 HE2 HIS 92 0.122 6.493 -10.737 583 H LEU 93 H LEU 93 -0.877 0.326 -6.616 584 HA LEU 93 HA LEU 93 1.255 -0.574 -4.780 585 HB2 LEU 93 HB2 LEU 93 -0.954 -0.320 -3.780 586 HB3 LEU 93 HB3 LEU 93 -1.669 -1.338 -5.018 587 HG LEU 93 HG LEU 93 -0.241 -3.258 -4.121 588 HD11 LEU 93 HD11 LEU 93 0.223 -1.395 -1.777 589 HD12 LEU 93 HD12 LEU 93 1.450 -1.983 -2.901 590 HD13 LEU 93 HD13 LEU 93 0.621 -3.114 -1.838 591 HD21 LEU 93 HD21 LEU 93 -2.316 -2.059 -2.271 592 HD22 LEU 93 HD22 LEU 93 -1.761 -3.736 -2.256 593 HD23 LEU 93 HD23 LEU 93 -2.616 -3.109 -3.657 594 H VAL 94 H VAL 94 2.558 -2.079 -5.502 595 HA VAL 94 HA VAL 94 1.618 -4.154 -7.378 596 HB VAL 94 HB VAL 94 4.480 -3.357 -6.634 597 HG11 VAL 94 HG11 VAL 94 3.525 -5.401 -8.683 598 HG12 VAL 94 HG12 VAL 94 4.372 -5.747 -7.172 599 HG13 VAL 94 HG13 VAL 94 5.197 -4.873 -8.462 600 HG21 VAL 94 HG21 VAL 94 2.924 -2.854 -9.206 601 HG22 VAL 94 HG22 VAL 94 4.628 -2.471 -8.949 602 HG23 VAL 94 HG23 VAL 94 3.389 -1.640 -8.011 603 H ILE 95 H ILE 95 0.929 -5.880 -6.375 604 HA ILE 95 HA ILE 95 1.815 -6.584 -3.674 605 HB ILE 95 HB ILE 95 -0.339 -7.944 -5.362 606 HG12 ILE 95 HG12 ILE 95 -0.660 -5.646 -3.366 607 HG13 ILE 95 HG13 ILE 95 -0.931 -5.548 -5.101 608 HG21 ILE 95 HG21 ILE 95 0.469 -9.297 -3.488 609 HG22 ILE 95 HG22 ILE 95 -1.164 -8.732 -3.150 610 HG23 ILE 95 HG23 ILE 95 0.215 -7.957 -2.367 611 HD11 ILE 95 HD11 ILE 95 -2.820 -7.109 -4.871 612 HD12 ILE 95 HD12 ILE 95 -3.019 -5.644 -3.909 613 HD13 ILE 95 HD13 ILE 95 -2.548 -7.151 -3.125 614 H LYS 96 H LYS 96 3.176 -8.250 -3.302 615 HA LYS 96 HA LYS 96 4.186 -9.810 -5.591 616 HB2 LYS 96 HB2 LYS 96 5.760 -8.342 -4.284 617 HB3 LYS 96 HB3 LYS 96 5.462 -9.337 -2.865 618 HG2 LYS 96 HG2 LYS 96 6.502 -11.259 -3.921 619 HG3 LYS 96 HG3 LYS 96 6.650 -10.392 -5.450 620 HD2 LYS 96 HD2 LYS 96 8.814 -10.495 -4.258 621 HD3 LYS 96 HD3 LYS 96 8.259 -8.831 -4.445 622 HE2 LYS 96 HE2 LYS 96 7.409 -8.895 -2.093 623 HE3 LYS 96 HE3 LYS 96 8.079 -10.518 -1.927 624 HZ1 LYS 96 HZ1 LYS 96 9.621 -8.053 -2.512 625 HZ2 LYS 96 HZ2 LYS 96 10.268 -9.603 -2.360 626 HZ3 LYS 96 HZ3 LYS 96 9.560 -8.852 -1.026 627 H THR 97 H THR 97 1.944 -10.224 -3.154 628 HA THR 97 HA THR 97 2.514 -12.919 -2.325 629 HB THR 97 HB THR 97 0.228 -12.987 -1.390 630 HG1 THR 97 HG1 THR 97 -0.975 -11.859 -2.911 631 HG21 THR 97 HG21 THR 97 1.531 -10.294 -0.851 632 HG22 THR 97 HG22 THR 97 1.937 -11.811 -0.048 633 HG23 THR 97 HG23 THR 97 0.344 -11.094 0.183 634 H GLN 98 H GLN 98 3.014 -13.830 -4.421 635 HA GLN 98 HA GLN 98 0.918 -14.184 -6.393 636 HB2 GLN 98 HB2 GLN 98 2.629 -15.571 -7.610 637 HB3 GLN 98 HB3 GLN 98 3.135 -13.926 -7.265 638 HG2 GLN 98 HG2 GLN 98 4.541 -14.730 -5.412 639 HG3 GLN 98 HG3 GLN 98 4.028 -16.389 -5.729 640 HE21 GLN 98 HE21 GLN 98 6.736 -15.355 -5.766 641 HE22 GLN 98 HE22 GLN 98 7.353 -15.623 -7.358 642 H ASN 99 H ASN 99 -0.592 -15.078 -4.965 643 HA ASN 99 HA ASN 99 -0.712 -17.923 -4.696 644 HB2 ASN 99 HB2 ASN 99 0.823 -17.246 -2.760 645 HB3 ASN 99 HB3 ASN 99 -0.516 -16.326 -2.087 646 HD21 ASN 99 HD21 ASN 99 0.852 -19.471 -2.558 647 HD22 ASN 99 HD22 ASN 99 -0.292 -20.343 -1.598 648 H ARG 100 H ARG 100 -1.865 -14.733 -3.602 649 HA ARG 100 HA ARG 100 -4.633 -15.526 -4.266 650 HB2 ARG 100 HB2 ARG 100 -5.472 -13.938 -2.501 651 HB3 ARG 100 HB3 ARG 100 -4.701 -15.382 -1.876 652 HG2 ARG 100 HG2 ARG 100 -3.192 -12.755 -2.073 653 HG3 ARG 100 HG3 ARG 100 -4.232 -13.127 -0.699 654 HD2 ARG 100 HD2 ARG 100 -1.825 -14.746 -1.595 655 HD3 ARG 100 HD3 ARG 100 -1.894 -13.659 -0.199 656 HE ARG 100 HE ARG 100 -3.936 -15.645 -0.059 657 HH11 ARG 100 HH11 ARG 100 -0.494 -15.226 0.526 658 HH12 ARG 100 HH12 ARG 100 -0.415 -16.564 1.627 659 HH21 ARG 100 HH21 ARG 100 -3.790 -17.373 1.376 660 HH22 ARG 100 HH22 ARG 100 -2.270 -17.758 2.117 661 HA PRO 101 HA PRO 101 -3.804 -11.796 -6.828 662 HB2 PRO 101 HB2 PRO 101 -4.834 -13.207 -9.144 663 HB3 PRO 101 HB3 PRO 101 -3.158 -12.777 -8.806 664 HG2 PRO 101 HG2 PRO 101 -4.105 -15.386 -8.887 665 HG3 PRO 101 HG3 PRO 101 -2.644 -14.873 -8.015 666 HD2 PRO 101 HD2 PRO 101 -5.436 -15.314 -6.937 667 HD3 PRO 101 HD3 PRO 101 -3.869 -15.819 -6.256 Start of MODEL 3 1 HA PRO 23 HA PRO 23 -12.554 19.337 6.880 2 HB2 PRO 23 HB2 PRO 23 -12.085 17.462 8.962 3 HB3 PRO 23 HB3 PRO 23 -11.565 19.155 8.947 4 HG2 PRO 23 HG2 PRO 23 -14.039 17.947 10.153 5 HG3 PRO 23 HG3 PRO 23 -13.001 19.245 10.787 6 HD2 PRO 23 HD2 PRO 23 -15.354 19.855 9.671 7 HD3 PRO 23 HD3 PRO 23 -13.937 20.867 9.329 8 H LYS 24 H LYS 24 -12.771 18.070 5.074 9 HA LYS 24 HA LYS 24 -14.147 15.504 5.142 10 HB2 LYS 24 HB2 LYS 24 -14.225 16.932 3.092 11 HB3 LYS 24 HB3 LYS 24 -12.487 16.744 2.897 12 HG2 LYS 24 HG2 LYS 24 -12.790 14.302 2.581 13 HG3 LYS 24 HG3 LYS 24 -14.530 14.492 2.778 14 HD2 LYS 24 HD2 LYS 24 -13.995 14.281 0.413 15 HD3 LYS 24 HD3 LYS 24 -14.592 15.911 0.736 16 HE2 LYS 24 HE2 LYS 24 -12.269 16.760 0.723 17 HE3 LYS 24 HE3 LYS 24 -11.673 15.126 0.411 18 HZ1 LYS 24 HZ1 LYS 24 -13.405 16.746 -1.370 19 HZ2 LYS 24 HZ2 LYS 24 -12.972 15.142 -1.654 20 HZ3 LYS 24 HZ3 LYS 24 -11.784 16.341 -1.633 21 H ILE 25 H ILE 25 -13.142 13.470 4.824 22 HA ILE 25 HA ILE 25 -10.510 13.164 6.019 23 HB ILE 25 HB ILE 25 -12.612 11.690 6.456 24 HG12 ILE 25 HG12 ILE 25 -9.981 10.253 5.871 25 HG13 ILE 25 HG13 ILE 25 -10.284 11.230 7.301 26 HG21 ILE 25 HG21 ILE 25 -11.657 10.271 3.930 27 HG22 ILE 25 HG22 ILE 25 -13.157 11.194 4.079 28 HG23 ILE 25 HG23 ILE 25 -12.934 9.724 5.025 29 HD11 ILE 25 HD11 ILE 25 -12.069 9.698 7.955 30 HD12 ILE 25 HD12 ILE 25 -10.499 8.911 7.811 31 HD13 ILE 25 HD13 ILE 25 -11.707 8.695 6.548 32 H MET 26 H MET 26 -8.772 11.913 4.922 33 HA MET 26 HA MET 26 -8.494 12.898 2.194 34 HB2 MET 26 HB2 MET 26 -6.646 13.142 3.859 35 HB3 MET 26 HB3 MET 26 -6.460 11.392 3.901 36 HG2 MET 26 HG2 MET 26 -5.773 11.346 1.589 37 HG3 MET 26 HG3 MET 26 -6.142 13.059 1.393 38 HE1 MET 26 HE1 MET 26 -4.372 11.268 4.437 39 HE2 MET 26 HE2 MET 26 -2.679 11.463 3.984 40 HE3 MET 26 HE3 MET 26 -3.730 10.421 3.028 41 H LYS 27 H LYS 27 -9.121 11.766 0.545 42 HA LYS 27 HA LYS 27 -9.675 8.901 0.676 43 HB2 LYS 27 HB2 LYS 27 -10.117 10.754 -1.709 44 HB3 LYS 27 HB3 LYS 27 -10.974 9.267 -1.321 45 HG2 LYS 27 HG2 LYS 27 -11.171 11.857 0.257 46 HG3 LYS 27 HG3 LYS 27 -12.336 11.329 -0.953 47 HD2 LYS 27 HD2 LYS 27 -11.677 9.719 1.536 48 HD3 LYS 27 HD3 LYS 27 -12.973 10.915 1.475 49 HE2 LYS 27 HE2 LYS 27 -14.202 9.652 -0.127 50 HE3 LYS 27 HE3 LYS 27 -12.823 8.608 -0.479 51 HZ1 LYS 27 HZ1 LYS 27 -14.538 7.575 0.945 52 HZ2 LYS 27 HZ2 LYS 27 -14.180 8.705 2.151 53 HZ3 LYS 27 HZ3 LYS 27 -13.000 7.608 1.640 54 H VAL 28 H VAL 28 -7.791 7.737 0.454 55 HA VAL 28 HA VAL 28 -5.820 8.485 -1.624 56 HB VAL 28 HB VAL 28 -5.438 6.479 0.658 57 HG11 VAL 28 HG11 VAL 28 -3.029 6.756 0.206 58 HG12 VAL 28 HG12 VAL 28 -3.401 7.844 -1.134 59 HG13 VAL 28 HG13 VAL 28 -3.896 6.153 -1.208 60 HG21 VAL 28 HG21 VAL 28 -5.895 8.671 1.640 61 HG22 VAL 28 HG22 VAL 28 -4.645 9.415 0.638 62 HG23 VAL 28 HG23 VAL 28 -4.201 8.232 1.873 63 H THR 29 H THR 29 -6.337 7.464 -3.519 64 HA THR 29 HA THR 29 -7.405 4.749 -3.562 65 HB THR 29 HB THR 29 -6.486 6.495 -5.911 66 HG1 THR 29 HG1 THR 29 -8.656 6.676 -4.303 67 HG21 THR 29 HG21 THR 29 -6.660 4.069 -6.471 68 HG22 THR 29 HG22 THR 29 -7.911 5.008 -7.286 69 HG23 THR 29 HG23 THR 29 -8.315 4.047 -5.859 70 H VAL 30 H VAL 30 -6.213 2.945 -3.945 71 HA VAL 30 HA VAL 30 -3.332 3.108 -4.538 72 HB VAL 30 HB VAL 30 -4.757 1.274 -2.537 73 HG11 VAL 30 HG11 VAL 30 -1.818 1.206 -3.363 74 HG12 VAL 30 HG12 VAL 30 -3.032 -0.022 -3.721 75 HG13 VAL 30 HG13 VAL 30 -2.549 0.266 -2.054 76 HG21 VAL 30 HG21 VAL 30 -2.600 3.385 -2.097 77 HG22 VAL 30 HG22 VAL 30 -3.285 2.330 -0.855 78 HG23 VAL 30 HG23 VAL 30 -4.304 3.520 -1.661 79 H LYS 31 H LYS 31 -2.943 2.128 -6.383 80 HA LYS 31 HA LYS 31 -4.843 0.230 -7.586 81 HB2 LYS 31 HB2 LYS 31 -4.252 2.318 -8.804 82 HB3 LYS 31 HB3 LYS 31 -2.556 1.870 -8.793 83 HG2 LYS 31 HG2 LYS 31 -4.608 0.091 -10.124 84 HG3 LYS 31 HG3 LYS 31 -3.992 1.517 -10.954 85 HD2 LYS 31 HD2 LYS 31 -1.658 0.605 -10.659 86 HD3 LYS 31 HD3 LYS 31 -2.362 -0.868 -9.990 87 HE2 LYS 31 HE2 LYS 31 -1.828 -1.204 -12.340 88 HE3 LYS 31 HE3 LYS 31 -3.581 -1.224 -12.130 89 HZ1 LYS 31 HZ1 LYS 31 -2.904 0.068 -14.052 90 HZ2 LYS 31 HZ2 LYS 31 -1.989 1.101 -13.069 91 HZ3 LYS 31 HZ3 LYS 31 -3.672 1.047 -12.907 92 H THR 32 H THR 32 -4.272 -1.854 -7.942 93 HA THR 32 HA THR 32 -1.527 -2.802 -7.321 94 HB THR 32 HB THR 32 -2.372 -4.618 -5.997 95 HG1 THR 32 HG1 THR 32 -5.085 -4.063 -6.254 96 HG21 THR 32 HG21 THR 32 -4.137 -2.251 -5.293 97 HG22 THR 32 HG22 THR 32 -2.472 -2.480 -4.767 98 HG23 THR 32 HG23 THR 32 -3.724 -3.594 -4.221 99 HA PRO 33 HA PRO 33 -1.876 -5.330 -11.070 100 HB2 PRO 33 HB2 PRO 33 -0.972 -7.823 -10.334 101 HB3 PRO 33 HB3 PRO 33 0.095 -6.428 -10.553 102 HG2 PRO 33 HG2 PRO 33 -1.085 -7.502 -7.986 103 HG3 PRO 33 HG3 PRO 33 0.603 -7.062 -8.343 104 HD2 PRO 33 HD2 PRO 33 -0.997 -5.354 -7.038 105 HD3 PRO 33 HD3 PRO 33 0.161 -4.760 -8.243 106 H LYS 34 H LYS 34 -3.654 -6.188 -8.233 107 HA LYS 34 HA LYS 34 -5.449 -8.072 -9.549 108 HB2 LYS 34 HB2 LYS 34 -5.581 -6.721 -6.804 109 HB3 LYS 34 HB3 LYS 34 -6.793 -7.850 -7.397 110 HG2 LYS 34 HG2 LYS 34 -5.423 -9.103 -5.944 111 HG3 LYS 34 HG3 LYS 34 -4.943 -9.586 -7.571 112 HD2 LYS 34 HD2 LYS 34 -2.943 -8.134 -7.417 113 HD3 LYS 34 HD3 LYS 34 -3.447 -7.598 -5.810 114 HE2 LYS 34 HE2 LYS 34 -1.695 -9.316 -5.656 115 HE3 LYS 34 HE3 LYS 34 -3.205 -9.902 -4.958 116 HZ1 LYS 34 HZ1 LYS 34 -2.270 -10.521 -7.702 117 HZ2 LYS 34 HZ2 LYS 34 -3.621 -11.173 -6.932 118 HZ3 LYS 34 HZ3 LYS 34 -2.067 -11.540 -6.372 119 H GLU 35 H GLU 35 -5.828 -4.891 -7.984 120 HA GLU 35 HA GLU 35 -7.475 -3.699 -9.991 121 HB2 GLU 35 HB2 GLU 35 -9.575 -3.561 -8.621 122 HB3 GLU 35 HB3 GLU 35 -9.194 -5.213 -9.101 123 HG2 GLU 35 HG2 GLU 35 -8.327 -5.706 -6.867 124 HG3 GLU 35 HG3 GLU 35 -8.576 -4.032 -6.368 125 H LYS 36 H LYS 36 -8.590 -1.612 -8.902 126 HA LYS 36 HA LYS 36 -6.671 -0.420 -6.989 127 HB2 LYS 36 HB2 LYS 36 -7.596 1.770 -7.634 128 HB3 LYS 36 HB3 LYS 36 -7.028 0.890 -9.052 129 HG2 LYS 36 HG2 LYS 36 -9.309 0.327 -9.684 130 HG3 LYS 36 HG3 LYS 36 -9.938 1.028 -8.190 131 HD2 LYS 36 HD2 LYS 36 -10.303 2.547 -10.080 132 HD3 LYS 36 HD3 LYS 36 -9.199 3.264 -8.909 133 HE2 LYS 36 HE2 LYS 36 -7.280 2.708 -10.346 134 HE3 LYS 36 HE3 LYS 36 -8.356 1.916 -11.500 135 HZ1 LYS 36 HZ1 LYS 36 -8.388 4.794 -10.780 136 HZ2 LYS 36 HZ2 LYS 36 -9.446 4.052 -11.862 137 HZ3 LYS 36 HZ3 LYS 36 -7.801 4.138 -12.221 138 H GLU 37 H GLU 37 -7.537 0.881 -5.257 139 HA GLU 37 HA GLU 37 -10.257 0.376 -4.321 140 HB2 GLU 37 HB2 GLU 37 -8.865 -1.588 -3.557 141 HB3 GLU 37 HB3 GLU 37 -7.823 -0.478 -2.679 142 HG2 GLU 37 HG2 GLU 37 -9.431 -1.601 -1.196 143 HG3 GLU 37 HG3 GLU 37 -9.669 0.146 -1.206 144 H GLU 38 H GLU 38 -10.828 1.770 -2.535 145 HA GLU 38 HA GLU 38 -9.230 4.251 -2.392 146 HB2 GLU 38 HB2 GLU 38 -11.468 4.423 -3.464 147 HB3 GLU 38 HB3 GLU 38 -12.229 3.793 -2.018 148 HG2 GLU 38 HG2 GLU 38 -10.622 6.350 -1.936 149 HG3 GLU 38 HG3 GLU 38 -12.288 6.350 -2.493 150 H PHE 39 H PHE 39 -8.575 4.950 -0.398 151 HA PHE 39 HA PHE 39 -9.389 3.458 2.022 152 HB2 PHE 39 HB2 PHE 39 -6.558 4.314 1.271 153 HB3 PHE 39 HB3 PHE 39 -7.032 3.713 2.861 154 HD1 PHE 39 HD1 PHE 39 -7.567 1.347 3.193 155 HD2 PHE 39 HD2 PHE 39 -6.382 2.803 -0.647 156 HE1 PHE 39 HE1 PHE 39 -7.183 -0.962 2.438 157 HE2 PHE 39 HE2 PHE 39 -6.000 0.484 -1.398 158 HZ PHE 39 HZ PHE 39 -6.401 -1.395 0.145 159 H ALA 40 H ALA 40 -10.449 4.859 3.229 160 HA ALA 40 HA ALA 40 -9.970 7.741 3.099 161 HB1 ALA 40 HB1 ALA 40 -12.070 6.103 4.561 162 HB2 ALA 40 HB2 ALA 40 -12.273 6.899 2.999 163 HB3 ALA 40 HB3 ALA 40 -12.037 7.863 4.459 164 H VAL 41 H VAL 41 -8.325 8.414 4.326 165 HA VAL 41 HA VAL 41 -7.937 7.359 7.065 166 HB VAL 41 HB VAL 41 -5.469 7.521 6.805 167 HG11 VAL 41 HG11 VAL 41 -6.736 5.707 4.718 168 HG12 VAL 41 HG12 VAL 41 -6.533 5.341 6.432 169 HG13 VAL 41 HG13 VAL 41 -5.114 5.520 5.398 170 HG21 VAL 41 HG21 VAL 41 -5.316 9.227 5.035 171 HG22 VAL 41 HG22 VAL 41 -5.991 8.095 3.860 172 HG23 VAL 41 HG23 VAL 41 -4.409 7.781 4.582 173 HA PRO 42 HA PRO 42 -8.229 11.739 7.958 174 HB2 PRO 42 HB2 PRO 42 -7.779 11.729 10.606 175 HB3 PRO 42 HB3 PRO 42 -9.166 10.869 9.926 176 HG2 PRO 42 HG2 PRO 42 -6.486 9.752 10.760 177 HG3 PRO 42 HG3 PRO 42 -8.115 9.150 11.149 178 HD2 PRO 42 HD2 PRO 42 -6.575 8.137 9.100 179 HD3 PRO 42 HD3 PRO 42 -8.351 8.106 9.089 180 H GLU 43 H GLU 43 -5.894 11.296 6.605 181 HA GLU 43 HA GLU 43 -3.675 11.539 6.294 182 HB2 GLU 43 HB2 GLU 43 -2.928 13.845 6.379 183 HB3 GLU 43 HB3 GLU 43 -4.598 13.775 5.844 184 HG2 GLU 43 HG2 GLU 43 -5.376 14.552 8.016 185 HG3 GLU 43 HG3 GLU 43 -3.739 14.492 8.661 186 H ASN 44 H ASN 44 -4.206 10.245 8.796 187 HA ASN 44 HA ASN 44 -2.002 11.098 10.563 188 HB2 ASN 44 HB2 ASN 44 -4.262 10.934 11.593 189 HB3 ASN 44 HB3 ASN 44 -4.381 9.250 11.095 190 HD21 ASN 44 HD21 ASN 44 -1.517 10.859 12.497 191 HD22 ASN 44 HD22 ASN 44 -1.489 9.907 13.937 192 H SER 45 H SER 45 -3.322 8.456 8.666 193 HA SER 45 HA SER 45 -1.648 6.375 9.554 194 HB2 SER 45 HB2 SER 45 -3.084 6.623 6.880 195 HB3 SER 45 HB3 SER 45 -2.522 5.128 7.639 196 HG SER 45 HG SER 45 -4.264 5.110 8.798 197 H SER 46 H SER 46 0.538 6.856 9.502 198 HA SER 46 HA SER 46 2.076 7.596 7.225 199 HB2 SER 46 HB2 SER 46 3.945 6.455 8.471 200 HB3 SER 46 HB3 SER 46 3.030 7.552 9.505 201 HG SER 46 HG SER 46 2.822 5.875 10.750 202 H VAL 47 H VAL 47 3.546 5.908 6.011 203 HA VAL 47 HA VAL 47 1.960 3.953 4.734 204 HB VAL 47 HB VAL 47 5.006 4.158 4.886 205 HG11 VAL 47 HG11 VAL 47 5.057 2.736 2.838 206 HG12 VAL 47 HG12 VAL 47 3.322 2.454 3.007 207 HG13 VAL 47 HG13 VAL 47 4.432 1.873 4.245 208 HG21 VAL 47 HG21 VAL 47 3.060 5.105 2.729 209 HG22 VAL 47 HG22 VAL 47 4.820 5.231 2.657 210 HG23 VAL 47 HG23 VAL 47 3.923 6.136 3.873 211 H GLN 48 H GLN 48 4.115 3.727 7.541 212 HA GLN 48 HA GLN 48 4.074 1.030 8.186 213 HB2 GLN 48 HB2 GLN 48 5.419 2.672 9.406 214 HB3 GLN 48 HB3 GLN 48 3.979 3.460 10.013 215 HG2 GLN 48 HG2 GLN 48 4.907 2.208 11.819 216 HG3 GLN 48 HG3 GLN 48 3.456 1.357 11.309 217 HE21 GLN 48 HE21 GLN 48 5.768 0.373 12.811 218 HE22 GLN 48 HE22 GLN 48 6.390 -0.967 11.913 219 H GLN 49 H GLN 49 1.587 3.491 8.927 220 HA GLN 49 HA GLN 49 -0.142 1.538 10.254 221 HB2 GLN 49 HB2 GLN 49 0.142 3.817 11.184 222 HB3 GLN 49 HB3 GLN 49 -0.519 4.508 9.709 223 HG2 GLN 49 HG2 GLN 49 -2.689 3.451 10.168 224 HG3 GLN 49 HG3 GLN 49 -2.042 2.724 11.636 225 HE21 GLN 49 HE21 GLN 49 -4.280 4.600 11.273 226 HE22 GLN 49 HE22 GLN 49 -3.919 5.953 12.289 227 H PHE 50 H PHE 50 0.317 2.705 7.091 228 HA PHE 50 HA PHE 50 -2.491 2.686 6.296 229 HB2 PHE 50 HB2 PHE 50 -0.988 4.516 5.544 230 HB3 PHE 50 HB3 PHE 50 -0.004 3.347 4.670 231 HD1 PHE 50 HD1 PHE 50 -3.508 4.653 4.905 232 HD2 PHE 50 HD2 PHE 50 -0.528 2.863 2.412 233 HE1 PHE 50 HE1 PHE 50 -4.970 4.915 2.950 234 HE2 PHE 50 HE2 PHE 50 -2.003 3.121 0.473 235 HZ PHE 50 HZ PHE 50 -4.224 4.145 0.735 236 H LYS 51 H LYS 51 0.502 0.862 5.589 237 HA LYS 51 HA LYS 51 -0.767 -0.826 3.661 238 HB2 LYS 51 HB2 LYS 51 1.275 -1.780 3.256 239 HB3 LYS 51 HB3 LYS 51 1.811 -0.285 3.987 240 HG2 LYS 51 HG2 LYS 51 1.735 -3.024 5.278 241 HG3 LYS 51 HG3 LYS 51 3.162 -2.153 4.728 242 HD2 LYS 51 HD2 LYS 51 2.505 -0.359 6.481 243 HD3 LYS 51 HD3 LYS 51 1.405 -1.577 7.129 244 HE2 LYS 51 HE2 LYS 51 3.512 -3.117 7.212 245 HE3 LYS 51 HE3 LYS 51 4.425 -1.615 7.022 246 HZ1 LYS 51 HZ1 LYS 51 3.382 -0.780 9.017 247 HZ2 LYS 51 HZ2 LYS 51 4.193 -2.218 9.332 248 HZ3 LYS 51 HZ3 LYS 51 2.509 -2.209 9.203 249 H GLU 52 H GLU 52 -0.714 -0.777 7.067 250 HA GLU 52 HA GLU 52 -1.628 -3.360 7.756 251 HB2 GLU 52 HB2 GLU 52 -2.387 -0.662 8.966 252 HB3 GLU 52 HB3 GLU 52 -2.601 -2.223 9.747 253 HG2 GLU 52 HG2 GLU 52 0.095 -1.106 8.951 254 HG3 GLU 52 HG3 GLU 52 -0.632 -0.844 10.534 255 H GLU 53 H GLU 53 -3.328 -0.401 6.778 256 HA GLU 53 HA GLU 53 -6.000 -1.370 6.888 257 HB2 GLU 53 HB2 GLU 53 -4.971 0.943 5.177 258 HB3 GLU 53 HB3 GLU 53 -6.612 0.715 5.770 259 HG2 GLU 53 HG2 GLU 53 -4.174 1.311 7.477 260 HG3 GLU 53 HG3 GLU 53 -5.427 2.462 7.017 261 H ILE 54 H ILE 54 -3.576 -1.219 4.354 262 HA ILE 54 HA ILE 54 -5.137 -2.195 2.189 263 HB ILE 54 HB ILE 54 -2.126 -2.335 2.691 264 HG12 ILE 54 HG12 ILE 54 -3.725 -0.360 0.981 265 HG13 ILE 54 HG13 ILE 54 -3.027 -0.005 2.558 266 HG21 ILE 54 HG21 ILE 54 -2.796 -4.038 1.049 267 HG22 ILE 54 HG22 ILE 54 -1.872 -2.754 0.281 268 HG23 ILE 54 HG23 ILE 54 -3.624 -2.809 0.088 269 HD11 ILE 54 HD11 ILE 54 -1.689 0.884 0.712 270 HD12 ILE 54 HD12 ILE 54 -1.437 -0.750 0.092 271 HD13 ILE 54 HD13 ILE 54 -0.790 -0.287 1.673 272 H SER 55 H SER 55 -3.200 -3.729 4.714 273 HA SER 55 HA SER 55 -2.944 -6.317 3.672 274 HB2 SER 55 HB2 SER 55 -1.584 -5.383 5.537 275 HB3 SER 55 HB3 SER 55 -2.985 -5.458 6.598 276 HG SER 55 HG SER 55 -1.564 -7.601 5.409 277 H LYS 56 H LYS 56 -5.330 -4.974 5.925 278 HA LYS 56 HA LYS 56 -6.870 -7.378 6.229 279 HB2 LYS 56 HB2 LYS 56 -8.443 -5.915 7.480 280 HB3 LYS 56 HB3 LYS 56 -6.780 -5.674 8.003 281 HG2 LYS 56 HG2 LYS 56 -6.667 -3.628 6.550 282 HG3 LYS 56 HG3 LYS 56 -8.373 -3.854 6.172 283 HD2 LYS 56 HD2 LYS 56 -8.167 -2.159 7.894 284 HD3 LYS 56 HD3 LYS 56 -8.914 -3.591 8.601 285 HE2 LYS 56 HE2 LYS 56 -6.815 -4.210 9.666 286 HE3 LYS 56 HE3 LYS 56 -5.966 -2.899 8.845 287 HZ1 LYS 56 HZ1 LYS 56 -8.156 -2.540 10.820 288 HZ2 LYS 56 HZ2 LYS 56 -7.277 -1.306 10.067 289 HZ3 LYS 56 HZ3 LYS 56 -6.504 -2.359 11.142 290 H ARG 57 H ARG 57 -6.823 -4.849 3.883 291 HA ARG 57 HA ARG 57 -9.553 -5.177 2.969 292 HB2 ARG 57 HB2 ARG 57 -8.267 -3.000 2.829 293 HB3 ARG 57 HB3 ARG 57 -7.259 -3.722 1.581 294 HG2 ARG 57 HG2 ARG 57 -8.975 -2.323 0.555 295 HG3 ARG 57 HG3 ARG 57 -9.260 -4.016 0.139 296 HD2 ARG 57 HD2 ARG 57 -10.973 -4.139 1.954 297 HD3 ARG 57 HD3 ARG 57 -10.724 -2.419 2.272 298 HE ARG 57 HE ARG 57 -11.436 -3.060 -0.462 299 HH11 ARG 57 HH11 ARG 57 -12.703 -2.181 2.699 300 HH12 ARG 57 HH12 ARG 57 -14.223 -1.644 2.068 301 HH21 ARG 57 HH21 ARG 57 -13.441 -2.337 -1.258 302 HH22 ARG 57 HH22 ARG 57 -14.641 -1.732 -0.158 303 H PHE 58 H PHE 58 -6.372 -5.777 1.443 304 HA PHE 58 HA PHE 58 -7.508 -7.364 -0.700 305 HB2 PHE 58 HB2 PHE 58 -4.657 -6.514 -0.042 306 HB3 PHE 58 HB3 PHE 58 -5.049 -7.551 -1.413 307 HD1 PHE 58 HD1 PHE 58 -5.327 -4.123 -0.045 308 HD2 PHE 58 HD2 PHE 58 -6.179 -6.646 -3.391 309 HE1 PHE 58 HE1 PHE 58 -5.825 -2.145 -1.417 310 HE2 PHE 58 HE2 PHE 58 -6.680 -4.662 -4.756 311 HZ PHE 58 HZ PHE 58 -6.506 -2.410 -3.770 312 H LYS 59 H LYS 59 -6.670 -8.087 2.454 313 HA LYS 59 HA LYS 59 -6.425 -9.974 3.663 314 HB2 LYS 59 HB2 LYS 59 -7.287 -11.471 1.150 315 HB3 LYS 59 HB3 LYS 59 -7.349 -12.087 2.798 316 HG2 LYS 59 HG2 LYS 59 -8.959 -9.740 1.751 317 HG3 LYS 59 HG3 LYS 59 -9.573 -11.389 1.930 318 HD2 LYS 59 HD2 LYS 59 -9.246 -11.246 4.372 319 HD3 LYS 59 HD3 LYS 59 -8.560 -9.626 4.197 320 HE2 LYS 59 HE2 LYS 59 -10.729 -8.832 3.264 321 HE3 LYS 59 HE3 LYS 59 -11.408 -10.443 3.519 322 HZ1 LYS 59 HZ1 LYS 59 -11.032 -10.197 5.874 323 HZ2 LYS 59 HZ2 LYS 59 -11.973 -8.915 5.301 324 HZ3 LYS 59 HZ3 LYS 59 -10.336 -8.674 5.646 325 H SER 60 H SER 60 -4.224 -8.878 2.256 326 HA SER 60 HA SER 60 -2.411 -11.200 1.933 327 HB2 SER 60 HB2 SER 60 -2.677 -10.074 -0.224 328 HB3 SER 60 HB3 SER 60 -2.356 -8.501 0.508 329 HG SER 60 HG SER 60 -0.286 -8.912 0.508 330 H HIS 61 H HIS 61 -0.436 -11.032 2.996 331 HA HIS 61 HA HIS 61 -0.454 -9.464 5.395 332 HB2 HIS 61 HB2 HIS 61 1.567 -11.400 4.217 333 HB3 HIS 61 HB3 HIS 61 1.878 -10.529 5.714 334 HD1 HIS 61 HD1 HIS 61 0.894 -13.718 4.803 335 HD2 HIS 61 HD2 HIS 61 -0.705 -10.948 7.459 336 HE1 HIS 61 HE1 HIS 61 -0.458 -15.045 6.443 337 HE2 HIS 61 HE2 HIS 61 -1.513 -13.345 7.958 338 H THR 62 H THR 62 1.219 -8.014 6.112 339 HA THR 62 HA THR 62 1.516 -5.829 4.338 340 HB THR 62 HB THR 62 2.843 -4.809 6.255 341 HG1 THR 62 HG1 THR 62 2.123 -7.068 7.797 342 HG21 THR 62 HG21 THR 62 0.383 -4.550 6.126 343 HG22 THR 62 HG22 THR 62 0.938 -4.658 7.795 344 HG23 THR 62 HG23 THR 62 0.177 -6.054 7.029 345 H ASP 63 H ASP 63 3.712 -8.407 5.235 346 HA ASP 63 HA ASP 63 6.107 -7.162 4.232 347 HB2 ASP 63 HB2 ASP 63 6.028 -8.953 6.029 348 HB3 ASP 63 HB3 ASP 63 5.633 -10.126 4.777 349 H GLN 64 H GLN 64 3.463 -8.812 2.797 350 HA GLN 64 HA GLN 64 4.842 -9.396 0.272 351 HB2 GLN 64 HB2 GLN 64 1.900 -9.697 1.021 352 HB3 GLN 64 HB3 GLN 64 2.653 -10.288 -0.460 353 HG2 GLN 64 HG2 GLN 64 4.055 -11.823 0.881 354 HG3 GLN 64 HG3 GLN 64 3.280 -11.240 2.352 355 HE21 GLN 64 HE21 GLN 64 0.595 -11.138 1.115 356 HE22 GLN 64 HE22 GLN 64 0.080 -12.778 1.005 357 H LEU 65 H LEU 65 3.566 -6.687 1.710 358 HA LEU 65 HA LEU 65 2.496 -5.453 -0.751 359 HB2 LEU 65 HB2 LEU 65 2.331 -4.498 2.136 360 HB3 LEU 65 HB3 LEU 65 1.524 -3.758 0.762 361 HG LEU 65 HG LEU 65 0.935 -6.543 1.830 362 HD11 LEU 65 HD11 LEU 65 -1.168 -5.603 2.688 363 HD12 LEU 65 HD12 LEU 65 -0.645 -3.988 2.203 364 HD13 LEU 65 HD13 LEU 65 0.242 -4.865 3.450 365 HD21 LEU 65 HD21 LEU 65 -0.511 -4.935 -0.296 366 HD22 LEU 65 HD22 LEU 65 -1.041 -6.482 0.366 367 HD23 LEU 65 HD23 LEU 65 0.454 -6.389 -0.558 368 H VAL 66 H VAL 66 3.842 -4.142 -1.858 369 HA VAL 66 HA VAL 66 5.549 -2.244 -0.343 370 HB VAL 66 HB VAL 66 7.135 -2.162 -2.328 371 HG11 VAL 66 HG11 VAL 66 8.404 -4.203 -1.718 372 HG12 VAL 66 HG12 VAL 66 6.990 -4.815 -0.857 373 HG13 VAL 66 HG13 VAL 66 7.794 -3.348 -0.299 374 HG21 VAL 66 HG21 VAL 66 7.224 -4.079 -3.902 375 HG22 VAL 66 HG22 VAL 66 5.710 -3.189 -4.064 376 HG23 VAL 66 HG23 VAL 66 5.738 -4.727 -3.202 377 H LEU 67 H LEU 67 4.745 -0.263 -0.560 378 HA LEU 67 HA LEU 67 3.053 0.529 -2.797 379 HB2 LEU 67 HB2 LEU 67 4.069 1.998 -0.329 380 HB3 LEU 67 HB3 LEU 67 3.126 2.796 -1.582 381 HG LEU 67 HG LEU 67 2.130 0.457 0.104 382 HD11 LEU 67 HD11 LEU 67 1.441 3.405 0.308 383 HD12 LEU 67 HD12 LEU 67 2.393 2.479 1.466 384 HD13 LEU 67 HD13 LEU 67 0.692 2.097 1.232 385 HD21 LEU 67 HD21 LEU 67 -0.078 0.973 -0.877 386 HD22 LEU 67 HD22 LEU 67 1.081 0.506 -2.115 387 HD23 LEU 67 HD23 LEU 67 0.662 2.207 -1.904 388 H ILE 68 H ILE 68 3.633 2.102 -4.316 389 HA ILE 68 HA ILE 68 6.412 3.049 -4.437 390 HB ILE 68 HB ILE 68 4.997 1.889 -6.902 391 HG12 ILE 68 HG12 ILE 68 7.120 0.253 -6.779 392 HG13 ILE 68 HG13 ILE 68 7.045 0.607 -5.063 393 HG21 ILE 68 HG21 ILE 68 7.825 2.969 -6.590 394 HG22 ILE 68 HG22 ILE 68 6.492 3.742 -7.450 395 HG23 ILE 68 HG23 ILE 68 7.165 2.229 -8.056 396 HD11 ILE 68 HD11 ILE 68 4.747 -0.252 -5.002 397 HD12 ILE 68 HD12 ILE 68 5.903 -1.452 -5.570 398 HD13 ILE 68 HD13 ILE 68 4.851 -0.634 -6.723 399 H PHE 69 H PHE 69 6.527 5.101 -5.088 400 HA PHE 69 HA PHE 69 4.684 6.381 -6.863 401 HB2 PHE 69 HB2 PHE 69 3.496 6.531 -4.603 402 HB3 PHE 69 HB3 PHE 69 4.828 7.529 -4.035 403 HD1 PHE 69 HD1 PHE 69 1.922 7.374 -6.330 404 HD2 PHE 69 HD2 PHE 69 5.017 9.883 -4.764 405 HE1 PHE 69 HE1 PHE 69 0.763 9.365 -7.212 406 HE2 PHE 69 HE2 PHE 69 3.849 11.859 -5.643 407 HZ PHE 69 HZ PHE 69 1.729 11.607 -6.867 408 H ALA 70 H ALA 70 5.554 8.317 -7.662 409 HA ALA 70 HA ALA 70 7.186 9.636 -8.484 410 HB1 ALA 70 HB1 ALA 70 8.472 9.406 -5.739 411 HB2 ALA 70 HB2 ALA 70 7.241 10.584 -6.195 412 HB3 ALA 70 HB3 ALA 70 8.832 10.633 -6.960 413 H GLY 71 H GLY 71 7.393 6.618 -8.501 414 HA2 GLY 71 HA2 GLY 71 8.720 5.193 -9.745 415 HA3 GLY 71 HA3 GLY 71 9.950 6.438 -9.857 416 H LYS 72 H LYS 72 8.982 5.879 -6.611 417 HA LYS 72 HA LYS 72 11.059 3.841 -6.135 418 HB2 LYS 72 HB2 LYS 72 12.061 5.190 -4.292 419 HB3 LYS 72 HB3 LYS 72 12.264 5.938 -5.865 420 HG2 LYS 72 HG2 LYS 72 11.716 7.797 -4.600 421 HG3 LYS 72 HG3 LYS 72 10.117 7.327 -5.168 422 HD2 LYS 72 HD2 LYS 72 10.023 7.893 -2.780 423 HD3 LYS 72 HD3 LYS 72 9.687 6.176 -2.999 424 HE2 LYS 72 HE2 LYS 72 11.148 6.503 -1.070 425 HE3 LYS 72 HE3 LYS 72 12.024 5.650 -2.338 426 HZ1 LYS 72 HZ1 LYS 72 13.322 7.402 -1.274 427 HZ2 LYS 72 HZ2 LYS 72 12.219 8.557 -1.812 428 HZ3 LYS 72 HZ3 LYS 72 13.128 7.673 -2.926 429 H ILE 73 H ILE 73 10.915 2.857 -4.034 430 HA ILE 73 HA ILE 73 8.208 2.206 -3.389 431 HB ILE 73 HB ILE 73 9.021 0.518 -1.882 432 HG12 ILE 73 HG12 ILE 73 10.782 1.759 -0.630 433 HG13 ILE 73 HG13 ILE 73 11.381 0.210 -1.193 434 HG21 ILE 73 HG21 ILE 73 10.537 -0.790 -3.349 435 HG22 ILE 73 HG22 ILE 73 10.839 0.656 -4.309 436 HG23 ILE 73 HG23 ILE 73 9.218 -0.034 -4.247 437 HD11 ILE 73 HD11 ILE 73 12.012 2.903 -2.389 438 HD12 ILE 73 HD12 ILE 73 12.609 1.350 -2.982 439 HD13 ILE 73 HD13 ILE 73 13.068 1.917 -1.376 440 H LEU 74 H LEU 74 6.932 2.890 -1.751 441 HA LEU 74 HA LEU 74 7.829 4.895 0.152 442 HB2 LEU 74 HB2 LEU 74 5.089 3.581 0.057 443 HB3 LEU 74 HB3 LEU 74 5.530 5.093 0.833 444 HG LEU 74 HG LEU 74 5.223 4.544 -2.133 445 HD11 LEU 74 HD11 LEU 74 3.493 6.277 -2.028 446 HD12 LEU 74 HD12 LEU 74 3.779 6.480 -0.297 447 HD13 LEU 74 HD13 LEU 74 3.144 4.954 -0.917 448 HD21 LEU 74 HD21 LEU 74 7.207 5.953 -1.907 449 HD22 LEU 74 HD22 LEU 74 6.331 7.078 -0.866 450 HD23 LEU 74 HD23 LEU 74 5.870 6.897 -2.560 451 H LYS 75 H LYS 75 8.855 4.213 1.909 452 HA LYS 75 HA LYS 75 8.388 1.538 3.039 453 HB2 LYS 75 HB2 LYS 75 10.460 3.672 3.728 454 HB3 LYS 75 HB3 LYS 75 10.366 2.077 4.472 455 HG2 LYS 75 HG2 LYS 75 10.910 2.634 1.540 456 HG3 LYS 75 HG3 LYS 75 12.113 2.174 2.744 457 HD2 LYS 75 HD2 LYS 75 9.759 0.439 1.868 458 HD3 LYS 75 HD3 LYS 75 11.421 0.256 1.307 459 HE2 LYS 75 HE2 LYS 75 10.458 -0.089 4.169 460 HE3 LYS 75 HE3 LYS 75 10.917 -1.384 3.064 461 HZ1 LYS 75 HZ1 LYS 75 12.695 0.719 4.171 462 HZ2 LYS 75 HZ2 LYS 75 13.169 -0.410 3.009 463 HZ3 LYS 75 HZ3 LYS 75 12.717 -0.927 4.553 464 H ASP 76 H ASP 76 8.292 1.375 5.408 465 HA ASP 76 HA ASP 76 5.961 2.510 6.420 466 HB2 ASP 76 HB2 ASP 76 6.555 1.409 8.538 467 HB3 ASP 76 HB3 ASP 76 6.887 0.356 7.178 468 H GLN 77 H GLN 77 9.305 3.486 6.869 469 HA GLN 77 HA GLN 77 9.019 5.367 8.966 470 HB2 GLN 77 HB2 GLN 77 11.288 6.086 8.305 471 HB3 GLN 77 HB3 GLN 77 11.164 4.330 8.320 472 HG2 GLN 77 HG2 GLN 77 10.820 4.398 5.821 473 HG3 GLN 77 HG3 GLN 77 11.168 6.124 5.874 474 HE21 GLN 77 HE21 GLN 77 12.589 4.112 4.416 475 HE22 GLN 77 HE22 GLN 77 14.212 4.083 5.005 476 H ASP 78 H ASP 78 8.338 5.541 5.595 477 HA ASP 78 HA ASP 78 8.230 8.460 5.434 478 HB2 ASP 78 HB2 ASP 78 9.207 7.299 3.522 479 HB3 ASP 78 HB3 ASP 78 7.824 6.221 3.411 480 H THR 79 H THR 79 6.267 9.533 4.744 481 HA THR 79 HA THR 79 3.723 8.065 5.183 482 HB THR 79 HB THR 79 2.687 10.319 5.602 483 HG1 THR 79 HG1 THR 79 5.229 11.457 5.976 484 HG21 THR 79 HG21 THR 79 5.018 9.718 7.458 485 HG22 THR 79 HG22 THR 79 3.422 8.971 7.535 486 HG23 THR 79 HG23 THR 79 3.603 10.694 7.858 487 H LEU 80 H LEU 80 2.254 8.153 3.558 488 HA LEU 80 HA LEU 80 2.933 8.607 0.906 489 HB2 LEU 80 HB2 LEU 80 0.323 8.588 0.576 490 HB3 LEU 80 HB3 LEU 80 1.149 7.163 1.170 491 HG LEU 80 HG LEU 80 0.464 7.960 3.548 492 HD11 LEU 80 HD11 LEU 80 -1.487 9.657 1.987 493 HD12 LEU 80 HD12 LEU 80 -0.205 10.229 3.053 494 HD13 LEU 80 HD13 LEU 80 -1.559 9.327 3.723 495 HD21 LEU 80 HD21 LEU 80 -0.513 5.996 2.545 496 HD22 LEU 80 HD22 LEU 80 -1.650 6.979 1.611 497 HD23 LEU 80 HD23 LEU 80 -1.773 6.912 3.373 498 H SER 81 H SER 81 1.482 10.833 3.219 499 HA SER 81 HA SER 81 0.740 12.900 1.420 500 HB2 SER 81 HB2 SER 81 -0.273 12.674 3.661 501 HB3 SER 81 HB3 SER 81 1.283 13.003 4.418 502 HG SER 81 HG SER 81 -0.491 14.771 3.911 503 H GLN 82 H GLN 82 3.785 12.139 3.050 504 HA GLN 82 HA GLN 82 5.135 14.600 2.541 505 HB2 GLN 82 HB2 GLN 82 5.933 12.864 4.177 506 HB3 GLN 82 HB3 GLN 82 6.369 11.823 2.830 507 HG2 GLN 82 HG2 GLN 82 8.373 12.863 3.624 508 HG3 GLN 82 HG3 GLN 82 7.994 13.586 2.066 509 HE21 GLN 82 HE21 GLN 82 9.679 14.618 4.195 510 HE22 GLN 82 HE22 GLN 82 9.029 16.156 4.644 511 H HIS 83 H HIS 83 4.518 11.732 0.607 512 HA HIS 83 HA HIS 83 6.070 12.698 -1.679 513 HB2 HIS 83 HB2 HIS 83 4.504 10.187 -1.067 514 HB3 HIS 83 HB3 HIS 83 4.811 10.593 -2.753 515 HD1 HIS 83 HD1 HIS 83 6.589 9.541 0.386 516 HD2 HIS 83 HD2 HIS 83 7.446 10.347 -3.602 517 HE1 HIS 83 HE1 HIS 83 8.956 8.806 0.031 518 HE2 HIS 83 HE2 HIS 83 9.512 9.543 -2.299 519 H GLY 84 H GLY 84 3.363 13.850 -0.433 520 HA2 GLY 84 HA2 GLY 84 1.967 15.466 -1.296 521 HA3 GLY 84 HA3 GLY 84 2.562 15.107 -2.911 522 H ILE 85 H ILE 85 1.457 12.397 -1.121 523 HA ILE 85 HA ILE 85 -0.749 12.016 -2.987 524 HB ILE 85 HB ILE 85 0.205 10.182 -0.738 525 HG12 ILE 85 HG12 ILE 85 0.840 9.915 -3.724 526 HG13 ILE 85 HG13 ILE 85 1.938 10.657 -2.565 527 HG21 ILE 85 HG21 ILE 85 -1.068 8.415 -1.920 528 HG22 ILE 85 HG22 ILE 85 -1.622 9.590 -3.112 529 HG23 ILE 85 HG23 ILE 85 -2.130 9.734 -1.429 530 HD11 ILE 85 HD11 ILE 85 2.549 8.369 -3.030 531 HD12 ILE 85 HD12 ILE 85 0.974 7.809 -2.483 532 HD13 ILE 85 HD13 ILE 85 2.087 8.564 -1.343 533 H HIS 86 H HIS 86 -2.502 13.126 -2.490 534 HA HIS 86 HA HIS 86 -3.771 12.731 0.135 535 HB2 HIS 86 HB2 HIS 86 -4.541 15.076 0.165 536 HB3 HIS 86 HB3 HIS 86 -2.788 14.985 0.192 537 HD1 HIS 86 HD1 HIS 86 -1.533 15.789 -1.977 538 HD2 HIS 86 HD2 HIS 86 -5.636 16.449 -1.979 539 HE1 HIS 86 HE1 HIS 86 -1.944 17.482 -3.784 540 HE2 HIS 86 HE2 HIS 86 -4.401 18.012 -3.618 541 H ASP 87 H ASP 87 -6.148 14.060 -0.414 542 HA ASP 87 HA ASP 87 -7.665 12.257 -1.886 543 HB2 ASP 87 HB2 ASP 87 -8.781 13.641 -0.294 544 HB3 ASP 87 HB3 ASP 87 -8.143 15.117 -1.003 545 H GLY 88 H GLY 88 -7.974 11.939 -4.013 546 HA2 GLY 88 HA2 GLY 88 -8.327 12.576 -6.274 547 HA3 GLY 88 HA3 GLY 88 -7.428 14.059 -5.999 548 H LEU 89 H LEU 89 -5.531 11.868 -4.546 549 HA LEU 89 HA LEU 89 -3.895 11.335 -6.958 550 HB2 LEU 89 HB2 LEU 89 -3.145 11.615 -4.025 551 HB3 LEU 89 HB3 LEU 89 -2.053 10.869 -5.173 552 HG LEU 89 HG LEU 89 -1.376 13.168 -4.804 553 HD11 LEU 89 HD11 LEU 89 -1.038 12.271 -7.057 554 HD12 LEU 89 HD12 LEU 89 -1.309 14.010 -7.093 555 HD13 LEU 89 HD13 LEU 89 -2.604 12.906 -7.566 556 HD21 LEU 89 HD21 LEU 89 -2.779 15.102 -5.343 557 HD22 LEU 89 HD22 LEU 89 -3.507 14.125 -4.070 558 HD23 LEU 89 HD23 LEU 89 -4.137 14.033 -5.717 559 H THR 90 H THR 90 -2.747 9.328 -7.081 560 HA THR 90 HA THR 90 -3.953 7.014 -5.697 561 HB THR 90 HB THR 90 -3.319 7.176 -8.690 562 HG1 THR 90 HG1 THR 90 -5.570 7.733 -7.235 563 HG21 THR 90 HG21 THR 90 -2.948 4.887 -7.814 564 HG22 THR 90 HG22 THR 90 -4.386 4.937 -8.831 565 HG23 THR 90 HG23 THR 90 -4.553 4.899 -7.076 566 H VAL 91 H VAL 91 -2.510 5.648 -4.922 567 HA VAL 91 HA VAL 91 0.360 5.900 -5.440 568 HB VAL 91 HB VAL 91 -0.864 3.902 -3.478 569 HG11 VAL 91 HG11 VAL 91 1.742 5.465 -3.392 570 HG12 VAL 91 HG12 VAL 91 1.552 3.781 -3.880 571 HG13 VAL 91 HG13 VAL 91 1.214 4.254 -2.215 572 HG21 VAL 91 HG21 VAL 91 -2.023 5.944 -2.899 573 HG22 VAL 91 HG22 VAL 91 -0.515 6.852 -2.870 574 HG23 VAL 91 HG23 VAL 91 -0.811 5.599 -1.664 575 H HIS 92 H HIS 92 1.565 3.985 -6.001 576 HA HIS 92 HA HIS 92 0.052 1.806 -7.295 577 HB2 HIS 92 HB2 HIS 92 3.011 2.537 -7.357 578 HB3 HIS 92 HB3 HIS 92 2.344 1.090 -8.106 579 HD1 HIS 92 HD1 HIS 92 1.680 1.333 -10.473 580 HD2 HIS 92 HD2 HIS 92 1.805 5.006 -8.531 581 HE1 HIS 92 HE1 HIS 92 1.254 3.053 -12.251 582 HE2 HIS 92 HE2 HIS 92 1.207 5.249 -11.029 583 H LEU 93 H LEU 93 0.322 -0.309 -6.629 584 HA LEU 93 HA LEU 93 2.006 -0.956 -4.309 585 HB2 LEU 93 HB2 LEU 93 -0.204 -0.507 -3.331 586 HB3 LEU 93 HB3 LEU 93 -0.974 -1.545 -4.517 587 HG LEU 93 HG LEU 93 0.275 -3.518 -3.500 588 HD11 LEU 93 HD11 LEU 93 2.098 -2.339 -2.406 589 HD12 LEU 93 HD12 LEU 93 1.205 -3.314 -1.250 590 HD13 LEU 93 HD13 LEU 93 0.970 -1.563 -1.294 591 HD21 LEU 93 HD21 LEU 93 -2.040 -3.162 -2.966 592 HD22 LEU 93 HD22 LEU 93 -1.626 -2.022 -1.690 593 HD23 LEU 93 HD23 LEU 93 -1.187 -3.727 -1.538 594 H VAL 94 H VAL 94 3.079 -2.729 -4.754 595 HA VAL 94 HA VAL 94 1.990 -4.676 -6.711 596 HB VAL 94 HB VAL 94 4.926 -4.262 -5.948 597 HG11 VAL 94 HG11 VAL 94 3.681 -6.096 -8.040 598 HG12 VAL 94 HG12 VAL 94 4.427 -6.605 -6.523 599 HG13 VAL 94 HG13 VAL 94 5.414 -5.858 -7.779 600 HG21 VAL 94 HG21 VAL 94 4.086 -2.383 -7.311 601 HG22 VAL 94 HG22 VAL 94 3.492 -3.509 -8.530 602 HG23 VAL 94 HG23 VAL 94 5.225 -3.362 -8.234 603 H ILE 95 H ILE 95 1.256 -6.426 -5.785 604 HA ILE 95 HA ILE 95 2.129 -7.171 -3.068 605 HB ILE 95 HB ILE 95 -0.279 -8.324 -4.556 606 HG12 ILE 95 HG12 ILE 95 -0.245 -5.854 -2.747 607 HG13 ILE 95 HG13 ILE 95 -0.707 -5.914 -4.443 608 HG21 ILE 95 HG21 ILE 95 0.401 -8.164 -1.592 609 HG22 ILE 95 HG22 ILE 95 0.575 -9.590 -2.619 610 HG23 ILE 95 HG23 ILE 95 -1.027 -8.935 -2.293 611 HD11 ILE 95 HD11 ILE 95 -2.661 -5.742 -3.035 612 HD12 ILE 95 HD12 ILE 95 -2.190 -7.191 -2.144 613 HD13 ILE 95 HD13 ILE 95 -2.651 -7.310 -3.846 614 H LYS 96 H LYS 96 3.128 -9.128 -2.746 615 HA LYS 96 HA LYS 96 3.369 -10.999 -5.029 616 HB2 LYS 96 HB2 LYS 96 5.534 -10.068 -4.241 617 HB3 LYS 96 HB3 LYS 96 5.228 -10.697 -2.625 618 HG2 LYS 96 HG2 LYS 96 5.370 -12.985 -3.415 619 HG3 LYS 96 HG3 LYS 96 5.434 -12.457 -5.096 620 HD2 LYS 96 HD2 LYS 96 7.578 -11.883 -3.007 621 HD3 LYS 96 HD3 LYS 96 7.662 -13.171 -4.210 622 HE2 LYS 96 HE2 LYS 96 7.574 -11.468 -6.015 623 HE3 LYS 96 HE3 LYS 96 7.544 -10.193 -4.797 624 HZ1 LYS 96 HZ1 LYS 96 9.750 -10.477 -5.638 625 HZ2 LYS 96 HZ2 LYS 96 9.739 -12.124 -5.274 626 HZ3 LYS 96 HZ3 LYS 96 9.718 -10.986 -4.026 627 H THR 97 H THR 97 1.181 -11.657 -4.433 628 HA THR 97 HA THR 97 1.439 -14.116 -2.886 629 HB THR 97 HB THR 97 0.511 -12.457 -1.248 630 HG1 THR 97 HG1 THR 97 -0.033 -14.557 -0.869 631 HG21 THR 97 HG21 THR 97 -0.831 -11.063 -2.822 632 HG22 THR 97 HG22 THR 97 -1.775 -11.630 -1.446 633 HG23 THR 97 HG23 THR 97 -1.960 -12.404 -3.021 634 H GLN 98 H GLN 98 0.540 -15.767 -4.036 635 HA GLN 98 HA GLN 98 -0.727 -15.178 -6.583 636 HB2 GLN 98 HB2 GLN 98 -0.569 -17.609 -7.019 637 HB3 GLN 98 HB3 GLN 98 0.972 -16.919 -6.544 638 HG2 GLN 98 HG2 GLN 98 0.693 -17.862 -4.277 639 HG3 GLN 98 HG3 GLN 98 -0.845 -18.570 -4.762 640 HE21 GLN 98 HE21 GLN 98 1.556 -19.915 -3.774 641 HE22 GLN 98 HE22 GLN 98 2.020 -21.041 -4.998 642 H ASN 99 H ASN 99 -2.823 -14.955 -6.823 643 HA ASN 99 HA ASN 99 -5.040 -15.236 -6.810 644 HB2 ASN 99 HB2 ASN 99 -4.401 -17.934 -5.560 645 HB3 ASN 99 HB3 ASN 99 -5.981 -17.474 -6.192 646 HD21 ASN 99 HD21 ASN 99 -4.231 -19.632 -7.040 647 HD22 ASN 99 HD22 ASN 99 -3.917 -19.383 -8.719 648 H ARG 100 H ARG 100 -5.180 -13.466 -5.367 649 HA ARG 100 HA ARG 100 -6.671 -14.188 -2.924 650 HB2 ARG 100 HB2 ARG 100 -4.697 -11.898 -3.305 651 HB3 ARG 100 HB3 ARG 100 -5.972 -11.798 -2.097 652 HG2 ARG 100 HG2 ARG 100 -3.862 -13.976 -2.192 653 HG3 ARG 100 HG3 ARG 100 -3.781 -12.533 -1.177 654 HD2 ARG 100 HD2 ARG 100 -5.771 -13.230 0.049 655 HD3 ARG 100 HD3 ARG 100 -5.995 -14.610 -1.037 656 HE ARG 100 HE ARG 100 -3.572 -15.141 -0.128 657 HH11 ARG 100 HH11 ARG 100 -6.342 -14.051 1.747 658 HH12 ARG 100 HH12 ARG 100 -5.857 -14.923 3.164 659 HH21 ARG 100 HH21 ARG 100 -2.979 -16.282 1.710 660 HH22 ARG 100 HH22 ARG 100 -3.960 -16.201 3.138 661 HA PRO 101 HA PRO 101 -9.628 -11.959 -5.695 662 HB2 PRO 101 HB2 PRO 101 -11.651 -13.735 -4.436 663 HB3 PRO 101 HB3 PRO 101 -11.241 -13.540 -6.143 664 HG2 PRO 101 HG2 PRO 101 -10.607 -15.799 -4.765 665 HG3 PRO 101 HG3 PRO 101 -9.588 -15.172 -6.079 666 HD2 PRO 101 HD2 PRO 101 -9.226 -14.862 -3.091 667 HD3 PRO 101 HD3 PRO 101 -8.023 -15.282 -4.336 Start of MODEL 4 1 HA PRO 23 HA PRO 23 -12.745 20.382 7.528 2 HB2 PRO 23 HB2 PRO 23 -10.175 19.188 7.350 3 HB3 PRO 23 HB3 PRO 23 -10.516 20.913 7.562 4 HG2 PRO 23 HG2 PRO 23 -9.924 18.834 9.644 5 HG3 PRO 23 HG3 PRO 23 -9.395 20.528 9.569 6 HD2 PRO 23 HD2 PRO 23 -11.366 19.824 11.229 7 HD3 PRO 23 HD3 PRO 23 -11.485 21.342 10.319 8 H LYS 24 H LYS 24 -12.339 18.933 5.633 9 HA LYS 24 HA LYS 24 -13.536 16.327 5.973 10 HB2 LYS 24 HB2 LYS 24 -14.126 17.611 3.989 11 HB3 LYS 24 HB3 LYS 24 -12.438 17.775 3.518 12 HG2 LYS 24 HG2 LYS 24 -12.284 15.478 2.872 13 HG3 LYS 24 HG3 LYS 24 -13.798 15.069 3.677 14 HD2 LYS 24 HD2 LYS 24 -14.066 15.110 1.241 15 HD3 LYS 24 HD3 LYS 24 -15.065 16.342 2.015 16 HE2 LYS 24 HE2 LYS 24 -14.094 17.313 0.046 17 HE3 LYS 24 HE3 LYS 24 -13.294 18.034 1.442 18 HZ1 LYS 24 HZ1 LYS 24 -11.775 17.415 -0.366 19 HZ2 LYS 24 HZ2 LYS 24 -12.187 15.790 -0.152 20 HZ3 LYS 24 HZ3 LYS 24 -11.411 16.634 1.088 21 H ILE 25 H ILE 25 -12.582 14.334 5.450 22 HA ILE 25 HA ILE 25 -9.753 14.078 6.173 23 HB ILE 25 HB ILE 25 -11.713 12.639 7.113 24 HG12 ILE 25 HG12 ILE 25 -9.220 11.203 6.089 25 HG13 ILE 25 HG13 ILE 25 -9.267 12.243 7.507 26 HG21 ILE 25 HG21 ILE 25 -11.268 11.068 4.535 27 HG22 ILE 25 HG22 ILE 25 -12.726 11.984 4.937 28 HG23 ILE 25 HG23 ILE 25 -12.276 10.580 5.902 29 HD11 ILE 25 HD11 ILE 25 -9.304 9.932 8.132 30 HD12 ILE 25 HD12 ILE 25 -10.754 9.654 7.167 31 HD13 ILE 25 HD13 ILE 25 -10.820 10.710 8.581 32 H MET 26 H MET 26 -8.245 12.852 4.830 33 HA MET 26 HA MET 26 -8.502 13.698 2.073 34 HB2 MET 26 HB2 MET 26 -6.382 14.007 3.309 35 HB3 MET 26 HB3 MET 26 -6.196 12.267 3.467 36 HG2 MET 26 HG2 MET 26 -5.844 12.025 1.104 37 HG3 MET 26 HG3 MET 26 -6.298 13.701 0.802 38 HE1 MET 26 HE1 MET 26 -3.810 12.023 3.493 39 HE2 MET 26 HE2 MET 26 -2.285 12.332 2.663 40 HE3 MET 26 HE3 MET 26 -3.477 11.247 1.944 41 H LYS 27 H LYS 27 -9.597 12.519 0.719 42 HA LYS 27 HA LYS 27 -9.892 9.634 0.933 43 HB2 LYS 27 HB2 LYS 27 -10.892 11.388 -1.350 44 HB3 LYS 27 HB3 LYS 27 -11.527 9.841 -0.811 45 HG2 LYS 27 HG2 LYS 27 -11.774 12.502 0.622 46 HG3 LYS 27 HG3 LYS 27 -13.058 11.638 -0.216 47 HD2 LYS 27 HD2 LYS 27 -11.643 10.736 2.320 48 HD3 LYS 27 HD3 LYS 27 -13.264 11.431 2.221 49 HE2 LYS 27 HE2 LYS 27 -12.364 8.761 1.065 50 HE3 LYS 27 HE3 LYS 27 -13.412 8.998 2.464 51 HZ1 LYS 27 HZ1 LYS 27 -14.028 9.665 -0.361 52 HZ2 LYS 27 HZ2 LYS 27 -15.016 10.085 0.941 53 HZ3 LYS 27 HZ3 LYS 27 -14.739 8.456 0.580 54 H VAL 28 H VAL 28 -8.309 8.359 0.141 55 HA VAL 28 HA VAL 28 -6.655 9.282 -2.144 56 HB VAL 28 HB VAL 28 -5.748 7.425 0.114 57 HG11 VAL 28 HG11 VAL 28 -4.549 7.041 -1.970 58 HG12 VAL 28 HG12 VAL 28 -3.485 7.806 -0.791 59 HG13 VAL 28 HG13 VAL 28 -4.172 8.760 -2.109 60 HG21 VAL 28 HG21 VAL 28 -5.157 10.393 -0.221 61 HG22 VAL 28 HG22 VAL 28 -4.451 9.324 0.996 62 HG23 VAL 28 HG23 VAL 28 -6.180 9.664 1.024 63 H THR 29 H THR 29 -7.101 8.137 -3.913 64 HA THR 29 HA THR 29 -8.119 5.414 -3.860 65 HB THR 29 HB THR 29 -7.204 7.139 -6.226 66 HG1 THR 29 HG1 THR 29 -9.007 7.964 -5.033 67 HG21 THR 29 HG21 THR 29 -7.239 4.731 -6.810 68 HG22 THR 29 HG22 THR 29 -8.553 5.587 -7.616 69 HG23 THR 29 HG23 THR 29 -8.888 4.595 -6.196 70 H VAL 30 H VAL 30 -6.897 3.593 -4.207 71 HA VAL 30 HA VAL 30 -4.064 3.853 -5.020 72 HB VAL 30 HB VAL 30 -5.201 1.905 -2.942 73 HG11 VAL 30 HG11 VAL 30 -3.441 0.818 -4.284 74 HG12 VAL 30 HG12 VAL 30 -2.870 1.106 -2.643 75 HG13 VAL 30 HG13 VAL 30 -2.333 2.153 -3.964 76 HG21 VAL 30 HG21 VAL 30 -3.234 4.211 -2.604 77 HG22 VAL 30 HG22 VAL 30 -3.716 3.076 -1.338 78 HG23 VAL 30 HG23 VAL 30 -4.907 4.167 -2.042 79 H LYS 31 H LYS 31 -3.636 2.770 -6.815 80 HA LYS 31 HA LYS 31 -5.656 0.998 -8.003 81 HB2 LYS 31 HB2 LYS 31 -4.551 3.104 -9.153 82 HB3 LYS 31 HB3 LYS 31 -3.178 2.051 -9.431 83 HG2 LYS 31 HG2 LYS 31 -6.002 1.510 -10.412 84 HG3 LYS 31 HG3 LYS 31 -4.746 2.286 -11.373 85 HD2 LYS 31 HD2 LYS 31 -3.366 0.194 -11.157 86 HD3 LYS 31 HD3 LYS 31 -4.722 -0.570 -10.321 87 HE2 LYS 31 HE2 LYS 31 -4.683 -1.202 -12.695 88 HE3 LYS 31 HE3 LYS 31 -6.132 -0.264 -12.326 89 HZ1 LYS 31 HZ1 LYS 31 -5.140 0.457 -14.391 90 HZ2 LYS 31 HZ2 LYS 31 -3.665 0.769 -13.625 91 HZ3 LYS 31 HZ3 LYS 31 -5.027 1.694 -13.245 92 H THR 32 H THR 32 -5.360 -1.077 -7.636 93 HA THR 32 HA THR 32 -2.671 -2.199 -7.061 94 HB THR 32 HB THR 32 -3.716 -3.642 -5.416 95 HG1 THR 32 HG1 THR 32 -6.282 -2.537 -5.792 96 HG21 THR 32 HG21 THR 32 -4.610 -2.061 -3.790 97 HG22 THR 32 HG22 THR 32 -4.943 -0.882 -5.057 98 HG23 THR 32 HG23 THR 32 -3.276 -1.305 -4.660 99 HA PRO 33 HA PRO 33 -3.323 -5.331 -10.224 100 HB2 PRO 33 HB2 PRO 33 -2.798 -7.730 -8.923 101 HB3 PRO 33 HB3 PRO 33 -1.555 -6.595 -9.467 102 HG2 PRO 33 HG2 PRO 33 -2.795 -6.842 -6.723 103 HG3 PRO 33 HG3 PRO 33 -1.072 -6.749 -7.171 104 HD2 PRO 33 HD2 PRO 33 -2.329 -4.568 -6.315 105 HD3 PRO 33 HD3 PRO 33 -1.206 -4.450 -7.687 106 H LYS 34 H LYS 34 -5.245 -5.519 -7.301 107 HA LYS 34 HA LYS 34 -7.220 -7.349 -8.439 108 HB2 LYS 34 HB2 LYS 34 -7.274 -5.702 -5.864 109 HB3 LYS 34 HB3 LYS 34 -8.566 -6.779 -6.375 110 HG2 LYS 34 HG2 LYS 34 -7.420 -8.075 -4.833 111 HG3 LYS 34 HG3 LYS 34 -6.742 -8.639 -6.359 112 HD2 LYS 34 HD2 LYS 34 -4.720 -7.308 -5.992 113 HD3 LYS 34 HD3 LYS 34 -5.427 -6.570 -4.552 114 HE2 LYS 34 HE2 LYS 34 -4.563 -9.452 -4.924 115 HE3 LYS 34 HE3 LYS 34 -3.911 -8.264 -3.797 116 HZ1 LYS 34 HZ1 LYS 34 -6.155 -8.260 -2.727 117 HZ2 LYS 34 HZ2 LYS 34 -5.302 -9.711 -2.575 118 HZ3 LYS 34 HZ3 LYS 34 -6.568 -9.583 -3.697 119 H GLU 35 H GLU 35 -7.367 -3.968 -7.226 120 HA GLU 35 HA GLU 35 -9.002 -2.991 -9.382 121 HB2 GLU 35 HB2 GLU 35 -11.091 -2.674 -8.091 122 HB3 GLU 35 HB3 GLU 35 -10.692 -4.382 -8.216 123 HG2 GLU 35 HG2 GLU 35 -9.754 -4.270 -5.883 124 HG3 GLU 35 HG3 GLU 35 -10.321 -2.605 -5.778 125 H LYS 36 H LYS 36 -10.231 -0.842 -8.185 126 HA LYS 36 HA LYS 36 -8.020 0.641 -6.889 127 HB2 LYS 36 HB2 LYS 36 -9.197 2.702 -7.584 128 HB3 LYS 36 HB3 LYS 36 -8.834 1.666 -8.957 129 HG2 LYS 36 HG2 LYS 36 -11.215 0.852 -8.891 130 HG3 LYS 36 HG3 LYS 36 -11.541 2.059 -7.646 131 HD2 LYS 36 HD2 LYS 36 -10.604 2.628 -10.492 132 HD3 LYS 36 HD3 LYS 36 -12.244 2.849 -9.884 133 HE2 LYS 36 HE2 LYS 36 -9.799 4.360 -8.889 134 HE3 LYS 36 HE3 LYS 36 -10.985 4.981 -10.037 135 HZ1 LYS 36 HZ1 LYS 36 -12.675 4.874 -8.372 136 HZ2 LYS 36 HZ2 LYS 36 -11.359 5.725 -7.739 137 HZ3 LYS 36 HZ3 LYS 36 -11.630 4.124 -7.271 138 H GLU 37 H GLU 37 -8.180 1.119 -4.787 139 HA GLU 37 HA GLU 37 -10.807 0.981 -3.399 140 HB2 GLU 37 HB2 GLU 37 -8.838 -0.877 -3.003 141 HB3 GLU 37 HB3 GLU 37 -8.296 0.323 -1.848 142 HG2 GLU 37 HG2 GLU 37 -10.973 -1.106 -1.873 143 HG3 GLU 37 HG3 GLU 37 -9.641 -1.388 -0.759 144 H GLU 38 H GLU 38 -11.247 2.681 -2.099 145 HA GLU 38 HA GLU 38 -9.309 4.908 -2.029 146 HB2 GLU 38 HB2 GLU 38 -11.392 5.399 -3.295 147 HB3 GLU 38 HB3 GLU 38 -12.349 5.039 -1.856 148 HG2 GLU 38 HG2 GLU 38 -11.266 6.905 -0.654 149 HG3 GLU 38 HG3 GLU 38 -10.294 7.269 -2.080 150 H PHE 39 H PHE 39 -8.433 5.200 -0.176 151 HA PHE 39 HA PHE 39 -9.572 4.281 2.350 152 HB2 PHE 39 HB2 PHE 39 -6.779 5.318 1.687 153 HB3 PHE 39 HB3 PHE 39 -7.276 4.591 3.217 154 HD1 PHE 39 HD1 PHE 39 -6.608 3.904 -0.377 155 HD2 PHE 39 HD2 PHE 39 -7.498 2.195 3.436 156 HE1 PHE 39 HE1 PHE 39 -6.110 1.665 -1.256 157 HE2 PHE 39 HE2 PHE 39 -7.001 -0.031 2.542 158 HZ PHE 39 HZ PHE 39 -6.308 -0.304 0.197 159 H ALA 40 H ALA 40 -9.297 5.727 4.248 160 HA ALA 40 HA ALA 40 -9.542 8.614 3.627 161 HB1 ALA 40 HB1 ALA 40 -11.765 7.671 4.074 162 HB2 ALA 40 HB2 ALA 40 -11.277 8.762 5.375 163 HB3 ALA 40 HB3 ALA 40 -11.196 7.014 5.608 164 H VAL 41 H VAL 41 -7.828 9.561 4.483 165 HA VAL 41 HA VAL 41 -6.744 8.733 7.105 166 HB VAL 41 HB VAL 41 -4.402 9.095 6.226 167 HG11 VAL 41 HG11 VAL 41 -5.265 6.799 6.416 168 HG12 VAL 41 HG12 VAL 41 -4.172 6.943 5.041 169 HG13 VAL 41 HG13 VAL 41 -5.917 6.886 4.777 170 HG21 VAL 41 HG21 VAL 41 -5.719 9.164 3.478 171 HG22 VAL 41 HG22 VAL 41 -3.981 9.087 3.784 172 HG23 VAL 41 HG23 VAL 41 -4.898 10.511 4.275 173 HA PRO 42 HA PRO 42 -7.229 13.135 7.682 174 HB2 PRO 42 HB2 PRO 42 -6.191 13.467 10.132 175 HB3 PRO 42 HB3 PRO 42 -7.579 12.400 9.882 176 HG2 PRO 42 HG2 PRO 42 -4.658 11.664 10.130 177 HG3 PRO 42 HG3 PRO 42 -6.059 10.948 10.961 178 HD2 PRO 42 HD2 PRO 42 -4.932 9.871 8.692 179 HD3 PRO 42 HD3 PRO 42 -6.640 9.653 9.122 180 H GLU 43 H GLU 43 -4.890 12.439 6.042 181 HA GLU 43 HA GLU 43 -2.955 13.196 5.149 182 HB2 GLU 43 HB2 GLU 43 -3.771 15.791 6.514 183 HB3 GLU 43 HB3 GLU 43 -2.519 15.668 5.280 184 HG2 GLU 43 HG2 GLU 43 -4.127 14.985 3.615 185 HG3 GLU 43 HG3 GLU 43 -5.400 14.864 4.827 186 H ASN 44 H ASN 44 -3.005 12.407 8.227 187 HA ASN 44 HA ASN 44 -0.326 13.429 8.950 188 HB2 ASN 44 HB2 ASN 44 -2.158 14.190 10.463 189 HB3 ASN 44 HB3 ASN 44 -2.577 12.518 10.809 190 HD21 ASN 44 HD21 ASN 44 -0.083 14.986 11.193 191 HD22 ASN 44 HD22 ASN 44 0.677 14.267 12.569 192 H SER 45 H SER 45 -2.344 10.673 8.384 193 HA SER 45 HA SER 45 -0.780 8.599 9.405 194 HB2 SER 45 HB2 SER 45 -2.515 8.597 6.894 195 HB3 SER 45 HB3 SER 45 -1.945 7.163 7.745 196 HG SER 45 HG SER 45 -3.089 8.153 9.624 197 H SER 46 H SER 46 1.211 8.020 8.883 198 HA SER 46 HA SER 46 2.576 8.877 6.483 199 HB2 SER 46 HB2 SER 46 3.552 6.955 8.633 200 HB3 SER 46 HB3 SER 46 4.543 7.868 7.491 201 HG SER 46 HG SER 46 4.526 9.438 8.871 202 H VAL 47 H VAL 47 3.929 7.009 5.359 203 HA VAL 47 HA VAL 47 2.170 5.189 4.113 204 HB VAL 47 HB VAL 47 5.220 5.168 4.220 205 HG11 VAL 47 HG11 VAL 47 5.155 3.721 2.206 206 HG12 VAL 47 HG12 VAL 47 3.398 3.614 2.344 207 HG13 VAL 47 HG13 VAL 47 4.424 2.930 3.605 208 HG21 VAL 47 HG21 VAL 47 4.290 7.221 3.212 209 HG22 VAL 47 HG22 VAL 47 3.333 6.258 2.084 210 HG23 VAL 47 HG23 VAL 47 5.095 6.238 1.988 211 H GLN 48 H GLN 48 4.366 4.840 6.882 212 HA GLN 48 HA GLN 48 4.210 2.087 7.329 213 HB2 GLN 48 HB2 GLN 48 4.834 2.583 9.712 214 HB3 GLN 48 HB3 GLN 48 5.875 3.321 8.516 215 HG2 GLN 48 HG2 GLN 48 5.643 4.950 10.182 216 HG3 GLN 48 HG3 GLN 48 4.585 5.486 8.883 217 HE21 GLN 48 HE21 GLN 48 3.440 6.809 10.386 218 HE22 GLN 48 HE22 GLN 48 2.311 6.143 11.510 219 H GLN 49 H GLN 49 1.853 4.534 8.006 220 HA GLN 49 HA GLN 49 0.164 2.747 9.603 221 HB2 GLN 49 HB2 GLN 49 0.464 5.164 10.253 222 HB3 GLN 49 HB3 GLN 49 -0.279 5.644 8.734 223 HG2 GLN 49 HG2 GLN 49 -1.976 5.864 10.359 224 HG3 GLN 49 HG3 GLN 49 -2.363 4.379 9.495 225 HE21 GLN 49 HE21 GLN 49 -3.288 5.107 12.085 226 HE22 GLN 49 HE22 GLN 49 -2.703 3.938 13.210 227 H PHE 50 H PHE 50 0.355 4.237 6.442 228 HA PHE 50 HA PHE 50 -2.371 4.005 5.680 229 HB2 PHE 50 HB2 PHE 50 -0.840 5.736 4.786 230 HB3 PHE 50 HB3 PHE 50 0.122 4.494 3.996 231 HD1 PHE 50 HD1 PHE 50 -3.524 5.416 4.160 232 HD2 PHE 50 HD2 PHE 50 -0.195 4.438 1.672 233 HE1 PHE 50 HE1 PHE 50 -4.931 5.674 2.167 234 HE2 PHE 50 HE2 PHE 50 -1.614 4.696 -0.321 235 HZ PHE 50 HZ PHE 50 -3.983 5.314 -0.069 236 H LYS 51 H LYS 51 0.531 2.069 4.912 237 HA LYS 51 HA LYS 51 -0.777 0.414 2.988 238 HB2 LYS 51 HB2 LYS 51 1.248 -0.613 2.581 239 HB3 LYS 51 HB3 LYS 51 1.803 0.906 3.256 240 HG2 LYS 51 HG2 LYS 51 1.641 -1.737 4.744 241 HG3 LYS 51 HG3 LYS 51 3.103 -1.038 4.056 242 HD2 LYS 51 HD2 LYS 51 2.823 0.925 5.621 243 HD3 LYS 51 HD3 LYS 51 1.452 0.090 6.350 244 HE2 LYS 51 HE2 LYS 51 3.528 -0.193 7.659 245 HE3 LYS 51 HE3 LYS 51 2.907 -1.737 7.074 246 HZ1 LYS 51 HZ1 LYS 51 5.155 -0.175 5.919 247 HZ2 LYS 51 HZ2 LYS 51 4.541 -1.600 5.251 248 HZ3 LYS 51 HZ3 LYS 51 5.270 -1.628 6.774 249 H GLU 52 H GLU 52 -0.705 0.346 6.417 250 HA GLU 52 HA GLU 52 -1.283 -2.436 6.789 251 HB2 GLU 52 HB2 GLU 52 -1.875 -0.095 8.637 252 HB3 GLU 52 HB3 GLU 52 -1.964 -1.797 9.076 253 HG2 GLU 52 HG2 GLU 52 0.616 -1.644 8.124 254 HG3 GLU 52 HG3 GLU 52 0.408 -0.030 8.789 255 H GLU 53 H GLU 53 -3.244 0.437 6.267 256 HA GLU 53 HA GLU 53 -5.799 -0.821 6.513 257 HB2 GLU 53 HB2 GLU 53 -5.056 1.689 4.941 258 HB3 GLU 53 HB3 GLU 53 -6.681 1.216 5.429 259 HG2 GLU 53 HG2 GLU 53 -4.411 1.978 7.296 260 HG3 GLU 53 HG3 GLU 53 -5.787 2.991 6.864 261 H ILE 54 H ILE 54 -3.582 -0.220 3.832 262 HA ILE 54 HA ILE 54 -5.081 -1.323 1.716 263 HB ILE 54 HB ILE 54 -2.051 -1.239 2.118 264 HG12 ILE 54 HG12 ILE 54 -3.893 0.731 0.674 265 HG13 ILE 54 HG13 ILE 54 -3.059 1.018 2.195 266 HG21 ILE 54 HG21 ILE 54 -3.579 -1.636 -0.475 267 HG22 ILE 54 HG22 ILE 54 -2.629 -2.862 0.369 268 HG23 ILE 54 HG23 ILE 54 -1.830 -1.450 -0.317 269 HD11 ILE 54 HD11 ILE 54 -1.744 0.634 -0.498 270 HD12 ILE 54 HD12 ILE 54 -0.907 0.923 1.032 271 HD13 ILE 54 HD13 ILE 54 -1.971 2.159 0.362 272 H SER 55 H SER 55 -3.052 -2.793 4.190 273 HA SER 55 HA SER 55 -2.576 -5.302 3.042 274 HB2 SER 55 HB2 SER 55 -1.312 -4.313 4.966 275 HB3 SER 55 HB3 SER 55 -2.700 -4.630 6.009 276 HG SER 55 HG SER 55 -1.327 -6.626 4.532 277 H LYS 56 H LYS 56 -5.107 -4.288 5.336 278 HA LYS 56 HA LYS 56 -6.375 -6.852 5.505 279 HB2 LYS 56 HB2 LYS 56 -8.222 -5.609 6.675 280 HB3 LYS 56 HB3 LYS 56 -6.628 -5.327 7.360 281 HG2 LYS 56 HG2 LYS 56 -6.509 -3.158 6.148 282 HG3 LYS 56 HG3 LYS 56 -8.137 -3.432 5.532 283 HD2 LYS 56 HD2 LYS 56 -8.134 -1.889 7.475 284 HD3 LYS 56 HD3 LYS 56 -9.055 -3.357 7.808 285 HE2 LYS 56 HE2 LYS 56 -7.666 -2.687 9.741 286 HE3 LYS 56 HE3 LYS 56 -7.182 -4.260 9.114 287 HZ1 LYS 56 HZ1 LYS 56 -5.328 -3.197 7.981 288 HZ2 LYS 56 HZ2 LYS 56 -5.272 -2.895 9.643 289 HZ3 LYS 56 HZ3 LYS 56 -5.796 -1.682 8.584 290 H ARG 57 H ARG 57 -6.750 -4.118 3.327 291 HA ARG 57 HA ARG 57 -9.296 -4.851 2.261 292 HB2 ARG 57 HB2 ARG 57 -7.083 -3.171 1.018 293 HB3 ARG 57 HB3 ARG 57 -8.695 -3.350 0.330 294 HG2 ARG 57 HG2 ARG 57 -8.009 -2.072 2.982 295 HG3 ARG 57 HG3 ARG 57 -8.460 -1.237 1.498 296 HD2 ARG 57 HD2 ARG 57 -10.685 -2.478 1.625 297 HD3 ARG 57 HD3 ARG 57 -10.213 -2.977 3.257 298 HE ARG 57 HE ARG 57 -10.517 -0.161 2.369 299 HH11 ARG 57 HH11 ARG 57 -10.756 -2.545 4.940 300 HH12 ARG 57 HH12 ARG 57 -11.452 -1.420 6.062 301 HH21 ARG 57 HH21 ARG 57 -11.417 1.279 3.840 302 HH22 ARG 57 HH22 ARG 57 -11.847 0.737 5.433 303 H PHE 58 H PHE 58 -5.941 -5.643 1.384 304 HA PHE 58 HA PHE 58 -6.910 -7.229 -0.915 305 HB2 PHE 58 HB2 PHE 58 -4.207 -5.889 -0.526 306 HB3 PHE 58 HB3 PHE 58 -4.692 -6.825 -1.947 307 HD1 PHE 58 HD1 PHE 58 -6.904 -6.048 -3.144 308 HD2 PHE 58 HD2 PHE 58 -4.653 -3.553 -0.506 309 HE1 PHE 58 HE1 PHE 58 -8.030 -4.067 -4.052 310 HE2 PHE 58 HE2 PHE 58 -5.772 -1.568 -1.434 311 HZ PHE 58 HZ PHE 58 -7.466 -1.832 -3.205 312 H LYS 59 H LYS 59 -5.976 -7.726 2.168 313 HA LYS 59 HA LYS 59 -5.296 -9.488 3.391 314 HB2 LYS 59 HB2 LYS 59 -6.397 -10.921 0.952 315 HB3 LYS 59 HB3 LYS 59 -5.888 -11.789 2.392 316 HG2 LYS 59 HG2 LYS 59 -7.849 -11.373 3.449 317 HG3 LYS 59 HG3 LYS 59 -7.742 -9.647 3.129 318 HD2 LYS 59 HD2 LYS 59 -8.761 -11.678 1.103 319 HD3 LYS 59 HD3 LYS 59 -9.809 -10.794 2.210 320 HE2 LYS 59 HE2 LYS 59 -9.035 -8.662 1.229 321 HE3 LYS 59 HE3 LYS 59 -8.014 -9.554 0.099 322 HZ1 LYS 59 HZ1 LYS 59 -9.950 -10.522 -0.901 323 HZ2 LYS 59 HZ2 LYS 59 -10.151 -8.844 -0.866 324 HZ3 LYS 59 HZ3 LYS 59 -10.971 -9.809 0.250 325 H SER 60 H SER 60 -3.306 -8.217 1.773 326 HA SER 60 HA SER 60 -1.263 -10.360 1.600 327 HB2 SER 60 HB2 SER 60 -1.424 -7.802 -0.069 328 HB3 SER 60 HB3 SER 60 -0.178 -9.048 -0.189 329 HG SER 60 HG SER 60 -2.868 -9.786 -0.485 330 H HIS 61 H HIS 61 0.411 -10.035 3.014 331 HA HIS 61 HA HIS 61 0.089 -8.257 5.154 332 HB2 HIS 61 HB2 HIS 61 2.541 -9.852 4.331 333 HB3 HIS 61 HB3 HIS 61 2.392 -9.015 5.872 334 HD1 HIS 61 HD1 HIS 61 2.179 -12.273 4.647 335 HD2 HIS 61 HD2 HIS 61 -0.238 -10.035 7.169 336 HE1 HIS 61 HE1 HIS 61 0.890 -13.941 5.995 337 HE2 HIS 61 HE2 HIS 61 -0.422 -12.565 7.632 338 H THR 62 H THR 62 1.631 -6.693 5.992 339 HA THR 62 HA THR 62 1.706 -4.434 4.331 340 HB THR 62 HB THR 62 2.917 -3.381 6.294 341 HG1 THR 62 HG1 THR 62 2.501 -5.606 7.892 342 HG21 THR 62 HG21 THR 62 0.447 -5.004 7.010 343 HG22 THR 62 HG22 THR 62 0.448 -3.420 6.234 344 HG23 THR 62 HG23 THR 62 1.052 -3.588 7.882 345 H ASP 63 H ASP 63 4.226 -6.701 5.247 346 HA ASP 63 HA ASP 63 6.507 -5.326 4.254 347 HB2 ASP 63 HB2 ASP 63 6.665 -7.193 5.841 348 HB3 ASP 63 HB3 ASP 63 5.951 -8.295 4.675 349 H GLN 64 H GLN 64 4.151 -7.491 2.807 350 HA GLN 64 HA GLN 64 5.509 -8.013 0.337 351 HB2 GLN 64 HB2 GLN 64 2.578 -8.332 1.125 352 HB3 GLN 64 HB3 GLN 64 3.320 -9.032 -0.313 353 HG2 GLN 64 HG2 GLN 64 4.680 -10.515 0.987 354 HG3 GLN 64 HG3 GLN 64 4.306 -9.659 2.478 355 HE21 GLN 64 HE21 GLN 64 1.668 -10.317 0.278 356 HE22 GLN 64 HE22 GLN 64 0.997 -11.630 1.164 357 H LEU 65 H LEU 65 3.563 -5.431 1.492 358 HA LEU 65 HA LEU 65 2.702 -4.456 -1.130 359 HB2 LEU 65 HB2 LEU 65 2.354 -3.229 1.639 360 HB3 LEU 65 HB3 LEU 65 1.519 -2.740 0.168 361 HG LEU 65 HG LEU 65 1.186 -5.433 1.540 362 HD11 LEU 65 HD11 LEU 65 -1.012 -4.614 2.247 363 HD12 LEU 65 HD12 LEU 65 -0.641 -3.025 1.579 364 HD13 LEU 65 HD13 LEU 65 0.297 -3.654 2.935 365 HD21 LEU 65 HD21 LEU 65 -0.365 -4.234 -0.780 366 HD22 LEU 65 HD22 LEU 65 -0.736 -5.756 0.036 367 HD23 LEU 65 HD23 LEU 65 0.765 -5.587 -0.870 368 H VAL 66 H VAL 66 4.058 -3.196 -2.304 369 HA VAL 66 HA VAL 66 5.612 -1.099 -0.892 370 HB VAL 66 HB VAL 66 7.266 -1.058 -2.724 371 HG11 VAL 66 HG11 VAL 66 6.997 -3.835 -1.509 372 HG12 VAL 66 HG12 VAL 66 7.775 -2.440 -0.761 373 HG13 VAL 66 HG13 VAL 66 8.468 -3.157 -2.213 374 HG21 VAL 66 HG21 VAL 66 5.898 -1.898 -4.602 375 HG22 VAL 66 HG22 VAL 66 5.870 -3.507 -3.880 376 HG23 VAL 66 HG23 VAL 66 7.394 -2.823 -4.453 377 H LEU 67 H LEU 67 4.902 0.874 -1.276 378 HA LEU 67 HA LEU 67 3.015 1.462 -3.438 379 HB2 LEU 67 HB2 LEU 67 4.071 3.134 -1.124 380 HB3 LEU 67 HB3 LEU 67 2.954 3.749 -2.332 381 HG LEU 67 HG LEU 67 2.364 1.476 -0.396 382 HD11 LEU 67 HD11 LEU 67 1.309 4.321 -0.424 383 HD12 LEU 67 HD12 LEU 67 2.478 3.664 0.722 384 HD13 LEU 67 HD13 LEU 67 0.833 3.039 0.697 385 HD21 LEU 67 HD21 LEU 67 0.050 1.596 -1.245 386 HD22 LEU 67 HD22 LEU 67 1.168 1.157 -2.526 387 HD23 LEU 67 HD23 LEU 67 0.537 2.800 -2.440 388 H ILE 68 H ILE 68 3.404 2.928 -5.068 389 HA ILE 68 HA ILE 68 6.088 4.109 -5.363 390 HB ILE 68 HB ILE 68 4.553 2.799 -7.670 391 HG12 ILE 68 HG12 ILE 68 6.812 1.444 -7.839 392 HG13 ILE 68 HG13 ILE 68 7.052 1.908 -6.167 393 HG21 ILE 68 HG21 ILE 68 6.502 3.427 -9.092 394 HG22 ILE 68 HG22 ILE 68 7.211 4.294 -7.728 395 HG23 ILE 68 HG23 ILE 68 5.688 4.841 -8.423 396 HD11 ILE 68 HD11 ILE 68 4.756 0.282 -7.255 397 HD12 ILE 68 HD12 ILE 68 4.977 0.733 -5.564 398 HD13 ILE 68 HD13 ILE 68 6.141 -0.331 -6.353 399 H PHE 69 H PHE 69 6.066 6.142 -5.962 400 HA PHE 69 HA PHE 69 4.130 7.514 -7.508 401 HB2 PHE 69 HB2 PHE 69 2.919 7.277 -5.242 402 HB3 PHE 69 HB3 PHE 69 4.157 8.313 -4.554 403 HD1 PHE 69 HD1 PHE 69 4.274 10.750 -5.245 404 HD2 PHE 69 HD2 PHE 69 1.129 8.176 -6.592 405 HE1 PHE 69 HE1 PHE 69 2.934 12.709 -5.877 406 HE2 PHE 69 HE2 PHE 69 -0.206 10.149 -7.220 407 HZ PHE 69 HZ PHE 69 0.693 12.417 -6.861 408 H ALA 70 H ALA 70 4.902 9.636 -8.010 409 HA ALA 70 HA ALA 70 6.382 11.313 -8.367 410 HB1 ALA 70 HB1 ALA 70 7.851 12.094 -6.555 411 HB2 ALA 70 HB2 ALA 70 7.602 10.586 -5.674 412 HB3 ALA 70 HB3 ALA 70 6.254 11.693 -5.919 413 H GLY 71 H GLY 71 6.939 8.451 -9.096 414 HA2 GLY 71 HA2 GLY 71 8.459 7.404 -10.462 415 HA3 GLY 71 HA3 GLY 71 9.502 8.810 -10.343 416 H LYS 72 H LYS 72 8.416 7.299 -7.420 417 HA LYS 72 HA LYS 72 10.783 5.636 -7.078 418 HB2 LYS 72 HB2 LYS 72 11.436 6.851 -4.948 419 HB3 LYS 72 HB3 LYS 72 11.763 7.713 -6.439 420 HG2 LYS 72 HG2 LYS 72 10.932 9.420 -5.088 421 HG3 LYS 72 HG3 LYS 72 9.483 8.922 -5.958 422 HD2 LYS 72 HD2 LYS 72 8.973 9.268 -3.584 423 HD3 LYS 72 HD3 LYS 72 8.777 7.565 -4.003 424 HE2 LYS 72 HE2 LYS 72 9.902 7.874 -1.818 425 HE3 LYS 72 HE3 LYS 72 10.922 7.023 -2.980 426 HZ1 LYS 72 HZ1 LYS 72 12.099 8.727 -1.697 427 HZ2 LYS 72 HZ2 LYS 72 11.119 9.919 -2.380 428 HZ3 LYS 72 HZ3 LYS 72 12.155 9.017 -3.363 429 H ILE 73 H ILE 73 10.748 4.523 -4.957 430 HA ILE 73 HA ILE 73 8.060 3.562 -4.359 431 HB ILE 73 HB ILE 73 9.074 1.735 -3.081 432 HG12 ILE 73 HG12 ILE 73 11.146 2.979 -2.241 433 HG13 ILE 73 HG13 ILE 73 11.439 1.342 -2.795 434 HG21 ILE 73 HG21 ILE 73 10.318 2.068 -5.832 435 HG22 ILE 73 HG22 ILE 73 8.723 1.411 -5.458 436 HG23 ILE 73 HG23 ILE 73 10.170 0.542 -4.952 437 HD11 ILE 73 HD11 ILE 73 12.159 3.904 -4.213 438 HD12 ILE 73 HD12 ILE 73 12.342 2.297 -4.923 439 HD13 ILE 73 HD13 ILE 73 13.238 2.729 -3.470 440 H LEU 74 H LEU 74 6.942 4.064 -2.601 441 HA LEU 74 HA LEU 74 7.905 6.031 -0.713 442 HB2 LEU 74 HB2 LEU 74 5.236 4.561 -0.643 443 HB3 LEU 74 HB3 LEU 74 5.642 6.081 0.142 444 HG LEU 74 HG LEU 74 5.272 5.609 -2.836 445 HD11 LEU 74 HD11 LEU 74 3.183 5.702 -1.585 446 HD12 LEU 74 HD12 LEU 74 3.358 7.125 -2.607 447 HD13 LEU 74 HD13 LEU 74 3.651 7.251 -0.869 448 HD21 LEU 74 HD21 LEU 74 7.085 7.231 -2.557 449 HD22 LEU 74 HD22 LEU 74 6.089 8.193 -1.461 450 HD23 LEU 74 HD23 LEU 74 5.634 8.031 -3.159 451 H LYS 75 H LYS 75 8.751 5.597 1.221 452 HA LYS 75 HA LYS 75 8.729 2.814 2.260 453 HB2 LYS 75 HB2 LYS 75 10.668 5.067 2.970 454 HB3 LYS 75 HB3 LYS 75 10.828 3.361 3.368 455 HG2 LYS 75 HG2 LYS 75 11.019 4.598 0.604 456 HG3 LYS 75 HG3 LYS 75 12.357 3.960 1.561 457 HD2 LYS 75 HD2 LYS 75 10.030 2.316 0.474 458 HD3 LYS 75 HD3 LYS 75 11.635 2.399 -0.246 459 HE2 LYS 75 HE2 LYS 75 11.064 1.351 2.550 460 HE3 LYS 75 HE3 LYS 75 11.259 0.340 1.119 461 HZ1 LYS 75 HZ1 LYS 75 13.329 2.191 2.152 462 HZ2 LYS 75 HZ2 LYS 75 13.502 1.076 0.892 463 HZ3 LYS 75 HZ3 LYS 75 13.273 0.532 2.473 464 H ASP 76 H ASP 76 8.923 2.723 4.713 465 HA ASP 76 HA ASP 76 6.629 3.732 5.959 466 HB2 ASP 76 HB2 ASP 76 9.185 2.676 7.240 467 HB3 ASP 76 HB3 ASP 76 7.651 2.882 8.082 468 H GLN 77 H GLN 77 9.913 4.986 5.919 469 HA GLN 77 HA GLN 77 9.828 6.968 7.899 470 HB2 GLN 77 HB2 GLN 77 11.674 8.063 6.563 471 HB3 GLN 77 HB3 GLN 77 11.940 6.351 6.870 472 HG2 GLN 77 HG2 GLN 77 11.394 5.752 4.621 473 HG3 GLN 77 HG3 GLN 77 10.724 7.343 4.279 474 HE21 GLN 77 HE21 GLN 77 11.999 7.566 2.458 475 HE22 GLN 77 HE22 GLN 77 13.704 7.868 2.546 476 H ASP 78 H ASP 78 8.559 6.933 4.660 477 HA ASP 78 HA ASP 78 8.157 9.803 4.398 478 HB2 ASP 78 HB2 ASP 78 7.408 7.471 2.561 479 HB3 ASP 78 HB3 ASP 78 7.263 9.177 2.141 480 H THR 79 H THR 79 6.064 10.748 4.025 481 HA THR 79 HA THR 79 3.705 9.076 4.700 482 HB THR 79 HB THR 79 2.512 10.950 5.546 483 HG1 THR 79 HG1 THR 79 3.302 13.147 5.234 484 HG21 THR 79 HG21 THR 79 5.378 11.559 6.359 485 HG22 THR 79 HG22 THR 79 4.316 10.382 7.135 486 HG23 THR 79 HG23 THR 79 3.925 12.099 7.202 487 H LEU 80 H LEU 80 2.102 9.003 3.188 488 HA LEU 80 HA LEU 80 2.583 9.454 0.504 489 HB2 LEU 80 HB2 LEU 80 0.172 9.120 0.104 490 HB3 LEU 80 HB3 LEU 80 0.846 7.910 1.172 491 HG LEU 80 HG LEU 80 -0.749 10.272 2.243 492 HD11 LEU 80 HD11 LEU 80 -2.763 8.868 2.241 493 HD12 LEU 80 HD12 LEU 80 -1.891 7.589 1.391 494 HD13 LEU 80 HD13 LEU 80 -2.176 9.142 0.603 495 HD21 LEU 80 HD21 LEU 80 -1.204 8.753 4.147 496 HD22 LEU 80 HD22 LEU 80 0.515 9.060 3.940 497 HD23 LEU 80 HD23 LEU 80 -0.172 7.524 3.406 498 H SER 81 H SER 81 1.027 11.589 2.844 499 HA SER 81 HA SER 81 -0.061 13.523 1.115 500 HB2 SER 81 HB2 SER 81 -0.711 13.201 3.512 501 HB3 SER 81 HB3 SER 81 0.831 13.891 4.012 502 HG SER 81 HG SER 81 -0.026 15.789 3.772 503 H GLN 82 H GLN 82 3.172 13.317 2.628 504 HA GLN 82 HA GLN 82 4.061 15.928 1.814 505 HB2 GLN 82 HB2 GLN 82 5.601 13.488 2.790 506 HB3 GLN 82 HB3 GLN 82 6.380 15.022 2.410 507 HG2 GLN 82 HG2 GLN 82 4.256 14.609 4.537 508 HG3 GLN 82 HG3 GLN 82 5.991 14.740 4.828 509 HE21 GLN 82 HE21 GLN 82 3.729 16.424 5.767 510 HE22 GLN 82 HE22 GLN 82 4.120 18.036 5.284 511 H HIS 83 H HIS 83 3.924 12.849 0.182 512 HA HIS 83 HA HIS 83 5.811 13.616 -1.910 513 HB2 HIS 83 HB2 HIS 83 4.071 11.156 -1.506 514 HB3 HIS 83 HB3 HIS 83 4.964 11.421 -3.005 515 HD1 HIS 83 HD1 HIS 83 7.511 11.163 -2.930 516 HD2 HIS 83 HD2 HIS 83 5.710 10.612 0.758 517 HE1 HIS 83 HE1 HIS 83 9.311 10.306 -1.421 518 HE2 HIS 83 HE2 HIS 83 8.256 10.290 0.844 519 H GLY 84 H GLY 84 2.781 14.608 -1.221 520 HA2 GLY 84 HA2 GLY 84 1.706 16.236 -2.559 521 HA3 GLY 84 HA3 GLY 84 2.261 15.420 -4.014 522 H ILE 85 H ILE 85 1.262 12.987 -2.046 523 HA ILE 85 HA ILE 85 -1.075 12.465 -3.640 524 HB ILE 85 HB ILE 85 -0.169 10.962 -1.143 525 HG12 ILE 85 HG12 ILE 85 0.583 10.330 -4.037 526 HG13 ILE 85 HG13 ILE 85 1.649 11.135 -2.893 527 HG21 ILE 85 HG21 ILE 85 -1.922 10.055 -3.464 528 HG22 ILE 85 HG22 ILE 85 -2.482 10.454 -1.839 529 HG23 ILE 85 HG23 ILE 85 -1.430 9.066 -2.090 530 HD11 ILE 85 HD11 ILE 85 2.148 8.763 -3.150 531 HD12 ILE 85 HD12 ILE 85 0.545 8.358 -2.548 532 HD13 ILE 85 HD13 ILE 85 1.701 9.176 -1.500 533 H HIS 86 H HIS 86 -2.898 13.512 -3.259 534 HA HIS 86 HA HIS 86 -3.887 13.889 -0.514 535 HB2 HIS 86 HB2 HIS 86 -3.620 16.030 -2.660 536 HB3 HIS 86 HB3 HIS 86 -4.716 16.200 -1.291 537 HD1 HIS 86 HD1 HIS 86 -1.222 16.723 -2.248 538 HD2 HIS 86 HD2 HIS 86 -3.318 16.147 1.297 539 HE1 HIS 86 HE1 HIS 86 0.322 17.480 -0.415 540 HE2 HIS 86 HE2 HIS 86 -0.882 16.883 1.715 541 H ASP 87 H ASP 87 -6.213 15.095 -0.983 542 HA ASP 87 HA ASP 87 -7.998 13.104 -1.589 543 HB2 ASP 87 HB2 ASP 87 -8.557 15.154 -0.328 544 HB3 ASP 87 HB3 ASP 87 -8.416 16.114 -1.795 545 H GLY 88 H GLY 88 -8.349 12.065 -3.465 546 HA2 GLY 88 HA2 GLY 88 -9.442 11.984 -5.565 547 HA3 GLY 88 HA3 GLY 88 -8.905 13.615 -5.912 548 H LEU 89 H LEU 89 -6.216 12.159 -4.727 549 HA LEU 89 HA LEU 89 -5.183 11.543 -7.404 550 HB2 LEU 89 HB2 LEU 89 -3.814 11.938 -4.728 551 HB3 LEU 89 HB3 LEU 89 -2.965 11.266 -6.116 552 HG LEU 89 HG LEU 89 -3.592 13.388 -7.395 553 HD11 LEU 89 HD11 LEU 89 -4.126 15.409 -6.119 554 HD12 LEU 89 HD12 LEU 89 -4.281 14.450 -4.644 555 HD13 LEU 89 HD13 LEU 89 -5.401 14.199 -5.984 556 HD21 LEU 89 HD21 LEU 89 -1.732 14.675 -6.473 557 HD22 LEU 89 HD22 LEU 89 -1.333 12.961 -6.566 558 HD23 LEU 89 HD23 LEU 89 -1.747 13.687 -5.009 559 H THR 90 H THR 90 -3.550 9.690 -7.446 560 HA THR 90 HA THR 90 -4.630 7.284 -6.119 561 HB THR 90 HB THR 90 -3.848 7.453 -9.069 562 HG1 THR 90 HG1 THR 90 -6.172 8.035 -7.824 563 HG21 THR 90 HG21 THR 90 -3.412 5.210 -8.094 564 HG22 THR 90 HG22 THR 90 -4.770 5.158 -9.221 565 HG23 THR 90 HG23 THR 90 -5.065 5.149 -7.479 566 H VAL 91 H VAL 91 -3.086 6.113 -5.129 567 HA VAL 91 HA VAL 91 -0.235 6.427 -5.799 568 HB VAL 91 HB VAL 91 -1.256 4.499 -3.662 569 HG11 VAL 91 HG11 VAL 91 0.910 4.978 -2.590 570 HG12 VAL 91 HG12 VAL 91 1.296 6.158 -3.849 571 HG13 VAL 91 HG13 VAL 91 1.141 4.447 -4.257 572 HG21 VAL 91 HG21 VAL 91 -2.429 6.551 -3.119 573 HG22 VAL 91 HG22 VAL 91 -0.943 7.491 -3.246 574 HG23 VAL 91 HG23 VAL 91 -1.128 6.301 -1.953 575 H HIS 92 H HIS 92 0.964 4.713 -6.656 576 HA HIS 92 HA HIS 92 -0.605 2.542 -7.904 577 HB2 HIS 92 HB2 HIS 92 2.263 3.489 -8.384 578 HB3 HIS 92 HB3 HIS 92 1.449 2.212 -9.286 579 HD1 HIS 92 HD1 HIS 92 0.435 2.972 -11.418 580 HD2 HIS 92 HD2 HIS 92 0.779 6.099 -8.698 581 HE1 HIS 92 HE1 HIS 92 -0.351 5.018 -12.638 582 HE2 HIS 92 HE2 HIS 92 -0.178 6.892 -10.965 583 H LEU 93 H LEU 93 -0.813 0.822 -6.553 584 HA LEU 93 HA LEU 93 1.380 0.055 -4.756 585 HB2 LEU 93 HB2 LEU 93 -0.878 0.032 -3.789 586 HB3 LEU 93 HB3 LEU 93 -1.429 -1.072 -5.040 587 HG LEU 93 HG LEU 93 0.278 -2.768 -4.136 588 HD11 LEU 93 HD11 LEU 93 0.394 -0.898 -1.755 589 HD12 LEU 93 HD12 LEU 93 1.714 -1.243 -2.876 590 HD13 LEU 93 HD13 LEU 93 1.082 -2.523 -1.847 591 HD21 LEU 93 HD21 LEU 93 -2.079 -3.063 -3.704 592 HD22 LEU 93 HD22 LEU 93 -2.012 -1.955 -2.336 593 HD23 LEU 93 HD23 LEU 93 -1.159 -3.498 -2.267 594 H VAL 94 H VAL 94 2.680 -1.580 -5.135 595 HA VAL 94 HA VAL 94 1.967 -3.682 -7.090 596 HB VAL 94 HB VAL 94 4.724 -2.505 -6.467 597 HG11 VAL 94 HG11 VAL 94 5.674 -4.165 -8.060 598 HG12 VAL 94 HG12 VAL 94 4.099 -4.956 -8.169 599 HG13 VAL 94 HG13 VAL 94 4.972 -4.935 -6.639 600 HG21 VAL 94 HG21 VAL 94 3.380 -1.207 -8.084 601 HG22 VAL 94 HG22 VAL 94 3.174 -2.639 -9.093 602 HG23 VAL 94 HG23 VAL 94 4.778 -1.935 -8.872 603 H ILE 95 H ILE 95 1.477 -5.474 -5.999 604 HA ILE 95 HA ILE 95 2.580 -5.982 -3.332 605 HB ILE 95 HB ILE 95 0.621 -7.805 -4.835 606 HG12 ILE 95 HG12 ILE 95 0.001 -5.374 -3.063 607 HG13 ILE 95 HG13 ILE 95 -0.444 -5.587 -4.747 608 HG21 ILE 95 HG21 ILE 95 1.758 -8.783 -2.879 609 HG22 ILE 95 HG22 ILE 95 0.033 -8.589 -2.582 610 HG23 ILE 95 HG23 ILE 95 1.185 -7.460 -1.859 611 HD11 ILE 95 HD11 ILE 95 -1.995 -7.385 -4.086 612 HD12 ILE 95 HD12 ILE 95 -2.353 -5.843 -3.308 613 HD13 ILE 95 HD13 ILE 95 -1.551 -7.117 -2.396 614 H LYS 96 H LYS 96 3.949 -7.705 -2.919 615 HA LYS 96 HA LYS 96 5.629 -8.563 -5.163 616 HB2 LYS 96 HB2 LYS 96 6.536 -7.386 -3.109 617 HB3 LYS 96 HB3 LYS 96 6.068 -8.780 -2.151 618 HG2 LYS 96 HG2 LYS 96 7.659 -10.187 -3.403 619 HG3 LYS 96 HG3 LYS 96 8.118 -8.801 -4.390 620 HD2 LYS 96 HD2 LYS 96 8.505 -9.039 -1.380 621 HD3 LYS 96 HD3 LYS 96 9.764 -9.246 -2.597 622 HE2 LYS 96 HE2 LYS 96 9.443 -6.882 -3.296 623 HE3 LYS 96 HE3 LYS 96 8.236 -6.683 -2.021 624 HZ1 LYS 96 HZ1 LYS 96 9.983 -7.272 -0.406 625 HZ2 LYS 96 HZ2 LYS 96 10.330 -5.865 -1.268 626 HZ3 LYS 96 HZ3 LYS 96 11.115 -7.310 -1.664 627 H THR 97 H THR 97 2.929 -9.831 -4.105 628 HA THR 97 HA THR 97 3.808 -12.396 -3.029 629 HB THR 97 HB THR 97 1.002 -11.265 -3.291 630 HG1 THR 97 HG1 THR 97 3.020 -10.953 -1.339 631 HG21 THR 97 HG21 THR 97 2.111 -13.442 -1.499 632 HG22 THR 97 HG22 THR 97 1.022 -13.683 -2.872 633 HG23 THR 97 HG23 THR 97 0.480 -12.798 -1.442 634 H GLN 98 H GLN 98 0.922 -11.857 -5.065 635 HA GLN 98 HA GLN 98 1.469 -13.364 -7.320 636 HB2 GLN 98 HB2 GLN 98 0.683 -15.618 -6.793 637 HB3 GLN 98 HB3 GLN 98 1.970 -15.216 -5.666 638 HG2 GLN 98 HG2 GLN 98 0.072 -14.552 -4.036 639 HG3 GLN 98 HG3 GLN 98 -0.998 -15.415 -5.144 640 HE21 GLN 98 HE21 GLN 98 -0.610 -17.689 -5.469 641 HE22 GLN 98 HE22 GLN 98 0.166 -18.633 -4.254 642 H ASN 99 H ASN 99 -0.869 -14.557 -7.957 643 HA ASN 99 HA ASN 99 -2.858 -12.479 -7.945 644 HB2 ASN 99 HB2 ASN 99 -3.023 -15.376 -8.886 645 HB3 ASN 99 HB3 ASN 99 -4.274 -14.168 -9.159 646 HD21 ASN 99 HD21 ASN 99 -1.064 -15.227 -10.053 647 HD22 ASN 99 HD22 ASN 99 -0.914 -14.222 -11.449 648 H ARG 100 H ARG 100 -3.485 -12.075 -5.825 649 HA ARG 100 HA ARG 100 -4.874 -14.241 -4.358 650 HB2 ARG 100 HB2 ARG 100 -3.771 -11.592 -3.313 651 HB3 ARG 100 HB3 ARG 100 -4.681 -12.746 -2.349 652 HG2 ARG 100 HG2 ARG 100 -2.824 -14.445 -2.973 653 HG3 ARG 100 HG3 ARG 100 -1.895 -13.037 -3.482 654 HD2 ARG 100 HD2 ARG 100 -1.272 -13.612 -1.216 655 HD3 ARG 100 HD3 ARG 100 -2.167 -12.086 -1.173 656 HE ARG 100 HE ARG 100 -4.141 -13.796 -0.713 657 HH11 ARG 100 HH11 ARG 100 -0.919 -13.832 0.659 658 HH12 ARG 100 HH12 ARG 100 -1.432 -14.529 2.154 659 HH21 ARG 100 HH21 ARG 100 -4.794 -14.761 1.235 660 HH22 ARG 100 HH22 ARG 100 -3.624 -15.078 2.477 661 HA PRO 101 HA PRO 101 -8.783 -12.314 -5.511 662 HB2 PRO 101 HB2 PRO 101 -9.868 -13.581 -3.010 663 HB3 PRO 101 HB3 PRO 101 -10.395 -13.769 -4.688 664 HG2 PRO 101 HG2 PRO 101 -9.042 -15.728 -3.456 665 HG3 PRO 101 HG3 PRO 101 -8.728 -15.353 -5.168 666 HD2 PRO 101 HD2 PRO 101 -7.142 -14.538 -2.718 667 HD3 PRO 101 HD3 PRO 101 -6.559 -15.178 -4.276 Start of MODEL 5 1 HA PRO 23 HA PRO 23 -11.779 20.132 5.376 2 HB2 PRO 23 HB2 PRO 23 -9.277 18.719 6.021 3 HB3 PRO 23 HB3 PRO 23 -9.512 20.416 5.576 4 HG2 PRO 23 HG2 PRO 23 -8.842 19.624 8.108 5 HG3 PRO 23 HG3 PRO 23 -9.771 21.098 7.765 6 HD2 PRO 23 HD2 PRO 23 -10.784 18.387 8.649 7 HD3 PRO 23 HD3 PRO 23 -11.250 19.999 9.227 8 H LYS 24 H LYS 24 -10.970 18.621 3.612 9 HA LYS 24 HA LYS 24 -12.296 16.050 3.711 10 HB2 LYS 24 HB2 LYS 24 -12.222 17.368 1.586 11 HB3 LYS 24 HB3 LYS 24 -10.469 17.204 1.549 12 HG2 LYS 24 HG2 LYS 24 -10.831 14.671 1.487 13 HG3 LYS 24 HG3 LYS 24 -12.537 15.005 1.213 14 HD2 LYS 24 HD2 LYS 24 -10.249 15.897 -0.587 15 HD3 LYS 24 HD3 LYS 24 -11.290 14.500 -0.878 16 HE2 LYS 24 HE2 LYS 24 -13.249 16.004 -1.028 17 HE3 LYS 24 HE3 LYS 24 -12.195 17.398 -0.769 18 HZ1 LYS 24 HZ1 LYS 24 -11.042 16.855 -2.812 19 HZ2 LYS 24 HZ2 LYS 24 -12.692 17.043 -3.107 20 HZ3 LYS 24 HZ3 LYS 24 -12.022 15.497 -3.044 21 H ILE 25 H ILE 25 -11.326 14.038 3.745 22 HA ILE 25 HA ILE 25 -8.612 13.788 4.782 23 HB ILE 25 HB ILE 25 -10.643 12.519 5.664 24 HG12 ILE 25 HG12 ILE 25 -8.347 10.709 4.813 25 HG13 ILE 25 HG13 ILE 25 -8.202 11.915 6.086 26 HG21 ILE 25 HG21 ILE 25 -11.645 11.876 3.494 27 HG22 ILE 25 HG22 ILE 25 -11.362 10.474 4.525 28 HG23 ILE 25 HG23 ILE 25 -10.272 10.806 3.176 29 HD11 ILE 25 HD11 ILE 25 -9.922 10.790 7.368 30 HD12 ILE 25 HD12 ILE 25 -8.573 9.719 6.988 31 HD13 ILE 25 HD13 ILE 25 -10.088 9.575 6.097 32 H MET 26 H MET 26 -6.982 12.357 3.654 33 HA MET 26 HA MET 26 -6.976 13.109 0.840 34 HB2 MET 26 HB2 MET 26 -4.825 11.620 2.397 35 HB3 MET 26 HB3 MET 26 -4.644 12.314 0.790 36 HG2 MET 26 HG2 MET 26 -5.192 14.574 1.907 37 HG3 MET 26 HG3 MET 26 -4.908 13.740 3.433 38 HE1 MET 26 HE1 MET 26 -2.523 12.171 3.636 39 HE2 MET 26 HE2 MET 26 -1.132 12.486 2.605 40 HE3 MET 26 HE3 MET 26 -2.552 11.677 1.945 41 H LYS 27 H LYS 27 -7.978 11.914 -0.532 42 HA LYS 27 HA LYS 27 -8.522 9.099 -0.240 43 HB2 LYS 27 HB2 LYS 27 -9.194 10.912 -2.604 44 HB3 LYS 27 HB3 LYS 27 -9.989 9.411 -2.147 45 HG2 LYS 27 HG2 LYS 27 -10.105 12.037 -0.616 46 HG3 LYS 27 HG3 LYS 27 -11.385 11.371 -1.630 47 HD2 LYS 27 HD2 LYS 27 -10.309 10.078 0.904 48 HD3 LYS 27 HD3 LYS 27 -11.781 11.046 0.805 49 HE2 LYS 27 HE2 LYS 27 -12.780 9.396 -0.735 50 HE3 LYS 27 HE3 LYS 27 -11.291 8.450 -0.709 51 HZ1 LYS 27 HZ1 LYS 27 -12.818 9.016 1.761 52 HZ2 LYS 27 HZ2 LYS 27 -11.651 7.821 1.493 53 HZ3 LYS 27 HZ3 LYS 27 -13.173 7.691 0.770 54 H VAL 28 H VAL 28 -6.521 8.093 -0.444 55 HA VAL 28 HA VAL 28 -4.819 8.567 -2.791 56 HB VAL 28 HB VAL 28 -4.350 6.744 -0.379 57 HG11 VAL 28 HG11 VAL 28 -1.971 6.741 -1.098 58 HG12 VAL 28 HG12 VAL 28 -2.418 7.640 -2.550 59 HG13 VAL 28 HG13 VAL 28 -3.036 6.008 -2.297 60 HG21 VAL 28 HG21 VAL 28 -4.500 9.079 0.336 61 HG22 VAL 28 HG22 VAL 28 -3.307 9.560 -0.877 62 HG23 VAL 28 HG23 VAL 28 -2.836 8.504 0.457 63 H THR 29 H THR 29 -5.442 7.470 -4.560 64 HA THR 29 HA THR 29 -6.683 4.843 -4.431 65 HB THR 29 HB THR 29 -5.882 6.581 -6.810 66 HG1 THR 29 HG1 THR 29 -7.984 6.612 -5.119 67 HG21 THR 29 HG21 THR 29 -5.926 4.218 -7.510 68 HG22 THR 29 HG22 THR 29 -7.329 5.064 -8.155 69 HG23 THR 29 HG23 THR 29 -7.516 4.007 -6.756 70 H VAL 30 H VAL 30 -5.581 3.031 -4.468 71 HA VAL 30 HA VAL 30 -2.760 2.912 -5.355 72 HB VAL 30 HB VAL 30 -4.327 1.281 -3.301 73 HG11 VAL 30 HG11 VAL 30 -1.511 0.703 -4.289 74 HG12 VAL 30 HG12 VAL 30 -2.936 -0.304 -4.552 75 HG13 VAL 30 HG13 VAL 30 -2.307 -0.081 -2.920 76 HG21 VAL 30 HG21 VAL 30 -1.833 3.008 -3.043 77 HG22 VAL 30 HG22 VAL 30 -2.599 2.100 -1.735 78 HG23 VAL 30 HG23 VAL 30 -3.463 3.429 -2.504 79 H LYS 31 H LYS 31 -2.531 1.998 -7.281 80 HA LYS 31 HA LYS 31 -4.600 0.213 -8.386 81 HB2 LYS 31 HB2 LYS 31 -3.845 2.216 -9.718 82 HB3 LYS 31 HB3 LYS 31 -2.225 1.534 -9.772 83 HG2 LYS 31 HG2 LYS 31 -3.296 -0.524 -10.895 84 HG3 LYS 31 HG3 LYS 31 -4.741 0.473 -11.086 85 HD2 LYS 31 HD2 LYS 31 -3.437 2.109 -12.405 86 HD3 LYS 31 HD3 LYS 31 -1.981 1.135 -12.178 87 HE2 LYS 31 HE2 LYS 31 -2.890 0.715 -14.387 88 HE3 LYS 31 HE3 LYS 31 -3.078 -0.732 -13.400 89 HZ1 LYS 31 HZ1 LYS 31 -5.392 -0.119 -13.030 90 HZ2 LYS 31 HZ2 LYS 31 -5.058 -0.291 -14.676 91 HZ3 LYS 31 HZ3 LYS 31 -5.201 1.253 -14.006 92 H THR 32 H THR 32 -4.167 -1.861 -8.928 93 HA THR 32 HA THR 32 -1.434 -2.982 -8.885 94 HB THR 32 HB THR 32 -2.365 -5.040 -7.741 95 HG1 THR 32 HG1 THR 32 -4.639 -3.450 -7.122 96 HG21 THR 32 HG21 THR 32 -2.747 -2.533 -6.074 97 HG22 THR 32 HG22 THR 32 -1.217 -3.377 -6.328 98 HG23 THR 32 HG23 THR 32 -2.528 -4.173 -5.454 99 HA PRO 33 HA PRO 33 -3.063 -5.269 -12.501 100 HB2 PRO 33 HB2 PRO 33 -1.982 -7.786 -12.196 101 HB3 PRO 33 HB3 PRO 33 -1.049 -6.382 -12.737 102 HG2 PRO 33 HG2 PRO 33 -1.255 -7.539 -9.960 103 HG3 PRO 33 HG3 PRO 33 0.197 -7.066 -10.871 104 HD2 PRO 33 HD2 PRO 33 -0.865 -5.430 -9.021 105 HD3 PRO 33 HD3 PRO 33 -0.169 -4.777 -10.521 106 H LYS 34 H LYS 34 -3.810 -6.097 -9.256 107 HA LYS 34 HA LYS 34 -5.950 -7.953 -9.781 108 HB2 LYS 34 HB2 LYS 34 -5.331 -6.227 -7.328 109 HB3 LYS 34 HB3 LYS 34 -6.682 -7.346 -7.410 110 HG2 LYS 34 HG2 LYS 34 -5.013 -8.464 -6.190 111 HG3 LYS 34 HG3 LYS 34 -4.994 -9.196 -7.795 112 HD2 LYS 34 HD2 LYS 34 -2.990 -7.858 -8.379 113 HD3 LYS 34 HD3 LYS 34 -3.025 -7.103 -6.780 114 HE2 LYS 34 HE2 LYS 34 -1.361 -8.916 -6.876 115 HE3 LYS 34 HE3 LYS 34 -2.648 -9.303 -5.731 116 HZ1 LYS 34 HZ1 LYS 34 -2.319 -10.350 -8.480 117 HZ2 LYS 34 HZ2 LYS 34 -3.690 -10.619 -7.532 118 HZ3 LYS 34 HZ3 LYS 34 -2.194 -11.216 -7.038 119 H GLU 35 H GLU 35 -5.871 -4.545 -8.688 120 HA GLU 35 HA GLU 35 -7.995 -3.551 -10.267 121 HB2 GLU 35 HB2 GLU 35 -9.789 -3.421 -8.563 122 HB3 GLU 35 HB3 GLU 35 -9.364 -5.100 -8.877 123 HG2 GLU 35 HG2 GLU 35 -7.879 -4.993 -6.795 124 HG3 GLU 35 HG3 GLU 35 -8.616 -3.430 -6.452 125 H LYS 36 H LYS 36 -8.940 -1.469 -9.043 126 HA LYS 36 HA LYS 36 -6.749 -0.064 -7.627 127 HB2 LYS 36 HB2 LYS 36 -7.895 2.038 -8.279 128 HB3 LYS 36 HB3 LYS 36 -7.463 1.071 -9.684 129 HG2 LYS 36 HG2 LYS 36 -9.800 0.292 -9.882 130 HG3 LYS 36 HG3 LYS 36 -10.245 1.246 -8.466 131 HD2 LYS 36 HD2 LYS 36 -9.190 2.370 -11.095 132 HD3 LYS 36 HD3 LYS 36 -10.878 2.371 -10.583 133 HE2 LYS 36 HE2 LYS 36 -10.347 3.850 -8.711 134 HE3 LYS 36 HE3 LYS 36 -8.630 3.791 -9.113 135 HZ1 LYS 36 HZ1 LYS 36 -10.790 4.957 -10.775 136 HZ2 LYS 36 HZ2 LYS 36 -9.168 4.840 -11.242 137 HZ3 LYS 36 HZ3 LYS 36 -9.603 5.804 -9.923 138 H GLU 37 H GLU 37 -7.067 0.620 -5.567 139 HA GLU 37 HA GLU 37 -9.779 0.645 -4.389 140 HB2 GLU 37 HB2 GLU 37 -8.699 -1.409 -3.594 141 HB3 GLU 37 HB3 GLU 37 -7.262 -0.523 -3.113 142 HG2 GLU 37 HG2 GLU 37 -8.582 -1.108 -1.159 143 HG3 GLU 37 HG3 GLU 37 -8.538 0.638 -1.358 144 H GLU 38 H GLU 38 -10.229 2.562 -3.527 145 HA GLU 38 HA GLU 38 -8.101 4.569 -3.213 146 HB2 GLU 38 HB2 GLU 38 -9.988 5.190 -4.671 147 HB3 GLU 38 HB3 GLU 38 -11.129 4.866 -3.369 148 HG2 GLU 38 HG2 GLU 38 -10.147 6.717 -2.050 149 HG3 GLU 38 HG3 GLU 38 -9.010 7.042 -3.359 150 H PHE 39 H PHE 39 -7.296 4.518 -1.252 151 HA PHE 39 HA PHE 39 -8.836 3.962 1.153 152 HB2 PHE 39 HB2 PHE 39 -5.886 4.677 0.815 153 HB3 PHE 39 HB3 PHE 39 -6.644 4.109 2.301 154 HD1 PHE 39 HD1 PHE 39 -5.578 3.137 -1.115 155 HD2 PHE 39 HD2 PHE 39 -7.098 1.752 2.633 156 HE1 PHE 39 HE1 PHE 39 -5.146 0.805 -1.783 157 HE2 PHE 39 HE2 PHE 39 -6.652 -0.568 1.955 158 HZ PHE 39 HZ PHE 39 -5.680 -1.042 -0.252 159 H ALA 40 H ALA 40 -8.639 5.469 2.973 160 HA ALA 40 HA ALA 40 -8.393 8.333 2.247 161 HB1 ALA 40 HB1 ALA 40 -10.737 7.712 2.631 162 HB2 ALA 40 HB2 ALA 40 -10.156 8.751 3.934 163 HB3 ALA 40 HB3 ALA 40 -10.316 7.013 4.195 164 H VAL 41 H VAL 41 -6.814 9.337 3.426 165 HA VAL 41 HA VAL 41 -6.000 8.257 6.029 166 HB VAL 41 HB VAL 41 -3.565 8.601 5.440 167 HG11 VAL 41 HG11 VAL 41 -5.023 6.491 3.811 168 HG12 VAL 41 HG12 VAL 41 -4.536 6.353 5.503 169 HG13 VAL 41 HG13 VAL 41 -3.310 6.464 4.242 170 HG21 VAL 41 HG21 VAL 41 -2.894 8.599 3.048 171 HG22 VAL 41 HG22 VAL 41 -3.775 10.065 3.486 172 HG23 VAL 41 HG23 VAL 41 -4.586 8.787 2.581 173 HA PRO 42 HA PRO 42 -6.460 12.601 6.971 174 HB2 PRO 42 HB2 PRO 42 -5.951 12.523 9.622 175 HB3 PRO 42 HB3 PRO 42 -7.360 11.705 8.933 176 HG2 PRO 42 HG2 PRO 42 -4.674 10.535 9.676 177 HG3 PRO 42 HG3 PRO 42 -6.300 9.944 10.094 178 HD2 PRO 42 HD2 PRO 42 -4.863 8.942 8.008 179 HD3 PRO 42 HD3 PRO 42 -6.637 9.008 7.992 180 H GLU 43 H GLU 43 -4.278 12.576 5.521 181 HA GLU 43 HA GLU 43 -2.300 13.495 4.991 182 HB2 GLU 43 HB2 GLU 43 -2.032 15.835 5.621 183 HB3 GLU 43 HB3 GLU 43 -3.722 15.472 5.312 184 HG2 GLU 43 HG2 GLU 43 -4.168 15.426 7.727 185 HG3 GLU 43 HG3 GLU 43 -2.467 15.733 8.061 186 H ASN 44 H ASN 44 -2.124 11.677 7.444 187 HA ASN 44 HA ASN 44 0.540 12.508 8.397 188 HB2 ASN 44 HB2 ASN 44 -1.230 13.379 9.974 189 HB3 ASN 44 HB3 ASN 44 -1.769 11.728 10.249 190 HD21 ASN 44 HD21 ASN 44 -1.338 11.828 12.452 191 HD22 ASN 44 HD22 ASN 44 0.262 11.845 13.101 192 H SER 45 H SER 45 -1.745 9.981 7.649 193 HA SER 45 HA SER 45 -0.604 7.785 8.945 194 HB2 SER 45 HB2 SER 45 -2.063 7.816 6.279 195 HB3 SER 45 HB3 SER 45 -1.780 6.393 7.285 196 HG SER 45 HG SER 45 -2.918 7.854 8.948 197 H SER 46 H SER 46 1.366 7.066 8.777 198 HA SER 46 HA SER 46 3.178 7.560 6.645 199 HB2 SER 46 HB2 SER 46 3.438 5.539 8.912 200 HB3 SER 46 HB3 SER 46 4.748 6.257 7.966 201 HG SER 46 HG SER 46 4.751 7.808 9.369 202 H VAL 47 H VAL 47 4.312 5.854 5.435 203 HA VAL 47 HA VAL 47 2.629 4.158 3.952 204 HB VAL 47 HB VAL 47 5.666 4.091 4.281 205 HG11 VAL 47 HG11 VAL 47 5.752 2.899 2.118 206 HG12 VAL 47 HG12 VAL 47 3.990 2.806 2.090 207 HG13 VAL 47 HG13 VAL 47 4.901 1.954 3.338 208 HG21 VAL 47 HG21 VAL 47 4.783 6.253 3.476 209 HG22 VAL 47 HG22 VAL 47 3.969 5.438 2.141 210 HG23 VAL 47 HG23 VAL 47 5.734 5.449 2.229 211 H GLN 48 H GLN 48 4.629 3.560 6.799 212 HA GLN 48 HA GLN 48 4.388 0.859 7.280 213 HB2 GLN 48 HB2 GLN 48 5.619 2.444 8.744 214 HB3 GLN 48 HB3 GLN 48 4.104 3.140 9.291 215 HG2 GLN 48 HG2 GLN 48 4.828 1.722 11.044 216 HG3 GLN 48 HG3 GLN 48 3.523 0.849 10.253 217 HE21 GLN 48 HE21 GLN 48 5.691 -0.172 11.939 218 HE22 GLN 48 HE22 GLN 48 6.542 -1.334 10.989 219 H GLN 49 H GLN 49 2.051 3.385 8.197 220 HA GLN 49 HA GLN 49 0.164 1.519 9.321 221 HB2 GLN 49 HB2 GLN 49 -0.064 4.508 8.737 222 HB3 GLN 49 HB3 GLN 49 -1.190 3.583 9.737 223 HG2 GLN 49 HG2 GLN 49 0.549 3.156 11.387 224 HG3 GLN 49 HG3 GLN 49 1.771 3.909 10.361 225 HE21 GLN 49 HE21 GLN 49 1.885 6.181 10.277 226 HE22 GLN 49 HE22 GLN 49 1.010 7.197 11.363 227 H PHE 50 H PHE 50 0.698 2.961 6.240 228 HA PHE 50 HA PHE 50 -2.014 2.935 5.296 229 HB2 PHE 50 HB2 PHE 50 -0.381 4.635 4.562 230 HB3 PHE 50 HB3 PHE 50 0.600 3.381 3.810 231 HD1 PHE 50 HD1 PHE 50 -2.907 4.727 3.749 232 HD2 PHE 50 HD2 PHE 50 0.286 2.993 1.515 233 HE1 PHE 50 HE1 PHE 50 -4.201 4.989 1.686 234 HE2 PHE 50 HE2 PHE 50 -1.017 3.267 -0.545 235 HZ PHE 50 HZ PHE 50 -3.262 4.262 -0.458 236 H LYS 51 H LYS 51 0.900 0.936 4.622 237 HA LYS 51 HA LYS 51 -0.484 -0.664 2.688 238 HB2 LYS 51 HB2 LYS 51 1.520 -1.631 2.159 239 HB3 LYS 51 HB3 LYS 51 2.123 -0.182 2.932 240 HG2 LYS 51 HG2 LYS 51 2.027 -2.977 4.098 241 HG3 LYS 51 HG3 LYS 51 3.457 -2.100 3.558 242 HD2 LYS 51 HD2 LYS 51 2.822 -0.374 5.420 243 HD3 LYS 51 HD3 LYS 51 1.762 -1.643 6.023 244 HE2 LYS 51 HE2 LYS 51 3.878 -3.152 6.007 245 HE3 LYS 51 HE3 LYS 51 4.776 -1.639 5.855 246 HZ1 LYS 51 HZ1 LYS 51 3.654 -0.890 7.902 247 HZ2 LYS 51 HZ2 LYS 51 4.642 -2.231 8.140 248 HZ3 LYS 51 HZ3 LYS 51 2.964 -2.419 8.073 249 H GLU 52 H GLU 52 -0.317 -0.731 6.095 250 HA GLU 52 HA GLU 52 -1.184 -3.434 6.518 251 HB2 GLU 52 HB2 GLU 52 -1.270 -0.960 8.284 252 HB3 GLU 52 HB3 GLU 52 -1.735 -2.577 8.825 253 HG2 GLU 52 HG2 GLU 52 0.509 -3.411 8.274 254 HG3 GLU 52 HG3 GLU 52 0.979 -1.803 7.736 255 H GLU 53 H GLU 53 -2.854 -0.372 5.985 256 HA GLU 53 HA GLU 53 -5.514 -1.381 6.168 257 HB2 GLU 53 HB2 GLU 53 -4.446 0.980 4.550 258 HB3 GLU 53 HB3 GLU 53 -6.150 0.655 4.861 259 HG2 GLU 53 HG2 GLU 53 -4.059 1.294 6.967 260 HG3 GLU 53 HG3 GLU 53 -5.250 2.422 6.321 261 H ILE 54 H ILE 54 -3.207 -1.030 3.479 262 HA ILE 54 HA ILE 54 -4.751 -2.065 1.380 263 HB ILE 54 HB ILE 54 -1.743 -2.314 1.833 264 HG12 ILE 54 HG12 ILE 54 -3.309 -0.254 0.198 265 HG13 ILE 54 HG13 ILE 54 -2.523 0.049 1.743 266 HG21 ILE 54 HG21 ILE 54 -1.533 -2.721 -0.578 267 HG22 ILE 54 HG22 ILE 54 -3.285 -2.700 -0.753 268 HG23 ILE 54 HG23 ILE 54 -2.506 -3.973 0.185 269 HD11 ILE 54 HD11 ILE 54 -1.126 -0.668 -0.844 270 HD12 ILE 54 HD12 ILE 54 -0.339 -0.364 0.710 271 HD13 ILE 54 HD13 ILE 54 -1.221 0.928 -0.097 272 H SER 55 H SER 55 -2.867 -3.699 3.881 273 HA SER 55 HA SER 55 -2.685 -6.276 2.861 274 HB2 SER 55 HB2 SER 55 -1.354 -5.528 4.765 275 HB3 SER 55 HB3 SER 55 -2.791 -5.378 5.767 276 HG SER 55 HG SER 55 -2.061 -7.840 4.580 277 H LYS 56 H LYS 56 -5.358 -4.807 4.695 278 HA LYS 56 HA LYS 56 -6.717 -7.349 5.048 279 HB2 LYS 56 HB2 LYS 56 -8.407 -6.117 6.272 280 HB3 LYS 56 HB3 LYS 56 -6.810 -5.604 6.802 281 HG2 LYS 56 HG2 LYS 56 -7.017 -3.559 5.439 282 HG3 LYS 56 HG3 LYS 56 -8.615 -4.077 4.909 283 HD2 LYS 56 HD2 LYS 56 -9.115 -2.561 6.618 284 HD3 LYS 56 HD3 LYS 56 -9.223 -4.110 7.446 285 HE2 LYS 56 HE2 LYS 56 -6.834 -2.231 7.534 286 HE3 LYS 56 HE3 LYS 56 -8.059 -2.384 8.791 287 HZ1 LYS 56 HZ1 LYS 56 -6.136 -4.475 7.934 288 HZ2 LYS 56 HZ2 LYS 56 -7.373 -4.715 9.058 289 HZ3 LYS 56 HZ3 LYS 56 -6.130 -3.624 9.391 290 H ARG 57 H ARG 57 -6.905 -4.652 2.774 291 HA ARG 57 HA ARG 57 -9.429 -5.446 1.606 292 HB2 ARG 57 HB2 ARG 57 -7.289 -3.464 0.763 293 HB3 ARG 57 HB3 ARG 57 -8.540 -3.930 -0.380 294 HG2 ARG 57 HG2 ARG 57 -9.303 -1.923 0.593 295 HG3 ARG 57 HG3 ARG 57 -10.252 -3.204 1.347 296 HD2 ARG 57 HD2 ARG 57 -8.692 -3.113 3.312 297 HD3 ARG 57 HD3 ARG 57 -7.886 -1.738 2.560 298 HE ARG 57 HE ARG 57 -10.251 -1.693 4.085 299 HH11 ARG 57 HH11 ARG 57 -8.955 -0.130 1.206 300 HH12 ARG 57 HH12 ARG 57 -9.892 1.307 1.435 301 HH21 ARG 57 HH21 ARG 57 -11.459 0.192 4.350 302 HH22 ARG 57 HH22 ARG 57 -11.309 1.489 3.206 303 H PHE 58 H PHE 58 -6.058 -5.646 0.477 304 HA PHE 58 HA PHE 58 -6.757 -7.336 -1.760 305 HB2 PHE 58 HB2 PHE 58 -4.108 -6.188 -0.791 306 HB3 PHE 58 HB3 PHE 58 -4.243 -7.239 -2.200 307 HD1 PHE 58 HD1 PHE 58 -5.113 -3.892 -0.844 308 HD2 PHE 58 HD2 PHE 58 -5.181 -6.421 -4.296 309 HE1 PHE 58 HE1 PHE 58 -5.679 -1.957 -2.252 310 HE2 PHE 58 HE2 PHE 58 -5.741 -4.477 -5.693 311 HZ PHE 58 HZ PHE 58 -5.991 -2.251 -4.682 312 H LYS 59 H LYS 59 -6.143 -7.990 1.499 313 HA LYS 59 HA LYS 59 -5.777 -9.871 2.704 314 HB2 LYS 59 HB2 LYS 59 -6.646 -11.207 0.108 315 HB3 LYS 59 HB3 LYS 59 -6.471 -12.069 1.633 316 HG2 LYS 59 HG2 LYS 59 -8.423 -9.800 1.087 317 HG3 LYS 59 HG3 LYS 59 -8.823 -11.520 1.166 318 HD2 LYS 59 HD2 LYS 59 -8.121 -11.568 3.547 319 HD3 LYS 59 HD3 LYS 59 -7.729 -9.848 3.469 320 HE2 LYS 59 HE2 LYS 59 -10.112 -9.352 2.964 321 HE3 LYS 59 HE3 LYS 59 -10.486 -11.072 3.107 322 HZ1 LYS 59 HZ1 LYS 59 -9.738 -10.989 5.409 323 HZ2 LYS 59 HZ2 LYS 59 -11.002 -9.906 5.135 324 HZ3 LYS 59 HZ3 LYS 59 -9.420 -9.333 5.266 325 H SER 60 H SER 60 -3.517 -8.710 1.489 326 HA SER 60 HA SER 60 -1.704 -11.017 1.050 327 HB2 SER 60 HB2 SER 60 -1.611 -8.253 -0.244 328 HB3 SER 60 HB3 SER 60 -0.405 -9.523 -0.460 329 HG SER 60 HG SER 60 -3.144 -9.639 -1.208 330 H HIS 61 H HIS 61 0.220 -10.987 2.181 331 HA HIS 61 HA HIS 61 0.437 -9.648 4.622 332 HB2 HIS 61 HB2 HIS 61 2.590 -11.001 2.952 333 HB3 HIS 61 HB3 HIS 61 2.862 -10.427 4.589 334 HD1 HIS 61 HD1 HIS 61 1.524 -11.665 6.501 335 HD2 HIS 61 HD2 HIS 61 1.445 -13.504 2.776 336 HE1 HIS 61 HE1 HIS 61 0.819 -14.031 6.936 337 HE2 HIS 61 HE2 HIS 61 0.939 -15.159 4.695 338 H THR 62 H THR 62 1.790 -7.971 5.364 339 HA THR 62 HA THR 62 1.809 -5.670 3.723 340 HB THR 62 HB THR 62 2.945 -4.590 5.702 341 HG1 THR 62 HG1 THR 62 2.926 -6.088 7.624 342 HG21 THR 62 HG21 THR 62 0.490 -6.264 6.347 343 HG22 THR 62 HG22 THR 62 0.487 -4.667 5.594 344 HG23 THR 62 HG23 THR 62 1.044 -4.857 7.256 345 H ASP 63 H ASP 63 4.349 -7.947 4.626 346 HA ASP 63 HA ASP 63 6.588 -6.417 3.728 347 HB2 ASP 63 HB2 ASP 63 7.851 -8.535 3.879 348 HB3 ASP 63 HB3 ASP 63 6.869 -8.260 5.311 349 H GLN 64 H GLN 64 4.231 -8.329 2.058 350 HA GLN 64 HA GLN 64 5.710 -8.708 -0.406 351 HB2 GLN 64 HB2 GLN 64 2.690 -8.828 0.045 352 HB3 GLN 64 HB3 GLN 64 3.565 -9.481 -1.338 353 HG2 GLN 64 HG2 GLN 64 4.627 -11.157 0.091 354 HG3 GLN 64 HG3 GLN 64 3.859 -10.466 1.519 355 HE21 GLN 64 HE21 GLN 64 1.278 -10.042 0.162 356 HE22 GLN 64 HE22 GLN 64 0.568 -11.607 -0.014 357 H LEU 65 H LEU 65 3.612 -6.314 0.996 358 HA LEU 65 HA LEU 65 2.791 -5.027 -1.448 359 HB2 LEU 65 HB2 LEU 65 2.505 -4.112 1.443 360 HB3 LEU 65 HB3 LEU 65 1.619 -3.468 0.065 361 HG LEU 65 HG LEU 65 1.387 -6.341 1.046 362 HD11 LEU 65 HD11 LEU 65 -0.758 -5.739 2.017 363 HD12 LEU 65 HD12 LEU 65 -0.511 -4.050 1.573 364 HD13 LEU 65 HD13 LEU 65 0.546 -4.816 2.758 365 HD21 LEU 65 HD21 LEU 65 0.825 -6.109 -1.314 366 HD22 LEU 65 HD22 LEU 65 -0.312 -4.811 -0.940 367 HD23 LEU 65 HD23 LEU 65 -0.616 -6.451 -0.359 368 H VAL 66 H VAL 66 4.557 -4.140 -2.536 369 HA VAL 66 HA VAL 66 6.081 -2.024 -1.120 370 HB VAL 66 HB VAL 66 7.830 -2.185 -2.831 371 HG11 VAL 66 HG11 VAL 66 8.741 -4.419 -2.267 372 HG12 VAL 66 HG12 VAL 66 7.152 -4.924 -1.684 373 HG13 VAL 66 HG13 VAL 66 8.027 -3.635 -0.854 374 HG21 VAL 66 HG21 VAL 66 7.874 -3.925 -4.577 375 HG22 VAL 66 HG22 VAL 66 6.484 -2.864 -4.800 376 HG23 VAL 66 HG23 VAL 66 6.262 -4.466 -4.101 377 H LEU 67 H LEU 67 5.414 -0.063 -1.468 378 HA LEU 67 HA LEU 67 3.760 0.729 -3.748 379 HB2 LEU 67 HB2 LEU 67 4.608 2.166 -1.203 380 HB3 LEU 67 HB3 LEU 67 3.610 2.907 -2.446 381 HG LEU 67 HG LEU 67 2.773 0.400 -0.935 382 HD11 LEU 67 HD11 LEU 67 2.023 3.273 -0.327 383 HD12 LEU 67 HD12 LEU 67 3.039 2.226 0.662 384 HD13 LEU 67 HD13 LEU 67 1.339 1.834 0.438 385 HD21 LEU 67 HD21 LEU 67 1.638 0.705 -3.102 386 HD22 LEU 67 HD22 LEU 67 1.162 2.341 -2.639 387 HD23 LEU 67 HD23 LEU 67 0.519 0.952 -1.765 388 H ILE 68 H ILE 68 4.389 2.199 -5.260 389 HA ILE 68 HA ILE 68 7.096 3.353 -5.219 390 HB ILE 68 HB ILE 68 5.850 1.951 -7.641 391 HG12 ILE 68 HG12 ILE 68 8.230 0.714 -7.464 392 HG13 ILE 68 HG13 ILE 68 8.111 1.170 -5.778 393 HG21 ILE 68 HG21 ILE 68 7.916 2.569 -8.885 394 HG22 ILE 68 HG22 ILE 68 8.450 3.530 -7.503 395 HG23 ILE 68 HG23 ILE 68 6.988 3.981 -8.379 396 HD11 ILE 68 HD11 ILE 68 6.151 -0.551 -7.297 397 HD12 ILE 68 HD12 ILE 68 6.008 -0.091 -5.598 398 HD13 ILE 68 HD13 ILE 68 7.353 -1.103 -6.128 399 H PHE 69 H PHE 69 7.050 5.420 -5.641 400 HA PHE 69 HA PHE 69 5.193 6.658 -7.513 401 HB2 PHE 69 HB2 PHE 69 4.139 6.841 -5.190 402 HB3 PHE 69 HB3 PHE 69 5.524 7.803 -4.698 403 HD1 PHE 69 HD1 PHE 69 2.458 7.737 -6.737 404 HD2 PHE 69 HD2 PHE 69 5.772 10.147 -5.504 405 HE1 PHE 69 HE1 PHE 69 1.300 9.752 -7.553 406 HE2 PHE 69 HE2 PHE 69 4.608 12.151 -6.321 407 HZ PHE 69 HZ PHE 69 2.370 11.959 -7.348 408 H ALA 70 H ALA 70 6.060 8.541 -8.406 409 HA ALA 70 HA ALA 70 7.658 9.825 -9.343 410 HB1 ALA 70 HB1 ALA 70 9.044 9.705 -6.634 411 HB2 ALA 70 HB2 ALA 70 7.814 10.878 -7.105 412 HB3 ALA 70 HB3 ALA 70 9.376 10.866 -7.924 413 H GLY 71 H GLY 71 7.793 6.890 -9.416 414 HA2 GLY 71 HA2 GLY 71 9.081 5.247 -10.348 415 HA3 GLY 71 HA3 GLY 71 10.264 6.478 -10.759 416 H LYS 72 H LYS 72 9.315 5.966 -7.406 417 HA LYS 72 HA LYS 72 11.569 4.193 -6.839 418 HB2 LYS 72 HB2 LYS 72 12.503 5.724 -5.076 419 HB3 LYS 72 HB3 LYS 72 12.727 6.292 -6.719 420 HG2 LYS 72 HG2 LYS 72 12.157 8.256 -5.609 421 HG3 LYS 72 HG3 LYS 72 10.600 7.751 -6.262 422 HD2 LYS 72 HD2 LYS 72 10.367 8.529 -3.932 423 HD3 LYS 72 HD3 LYS 72 9.972 6.813 -4.059 424 HE2 LYS 72 HE2 LYS 72 11.319 7.300 -2.048 425 HE3 LYS 72 HE3 LYS 72 12.165 6.212 -3.148 426 HZ1 LYS 72 HZ1 LYS 72 12.637 9.129 -2.891 427 HZ2 LYS 72 HZ2 LYS 72 13.441 8.092 -3.950 428 HZ3 LYS 72 HZ3 LYS 72 13.627 7.899 -2.282 429 H ILE 73 H ILE 73 11.594 3.444 -4.619 430 HA ILE 73 HA ILE 73 8.916 2.648 -3.883 431 HB ILE 73 HB ILE 73 9.878 0.978 -2.443 432 HG12 ILE 73 HG12 ILE 73 11.739 2.344 -1.418 433 HG13 ILE 73 HG13 ILE 73 12.232 0.723 -1.873 434 HG21 ILE 73 HG21 ILE 73 11.461 1.151 -5.028 435 HG22 ILE 73 HG22 ILE 73 9.860 0.445 -4.818 436 HG23 ILE 73 HG23 ILE 73 11.259 -0.309 -4.054 437 HD11 ILE 73 HD11 ILE 73 12.861 3.271 -3.357 438 HD12 ILE 73 HD12 ILE 73 13.348 1.648 -3.855 439 HD13 ILE 73 HD13 ILE 73 13.960 2.328 -2.350 440 H LEU 74 H LEU 74 7.806 3.122 -2.050 441 HA LEU 74 HA LEU 74 8.685 5.341 -0.342 442 HB2 LEU 74 HB2 LEU 74 6.101 3.780 0.013 443 HB3 LEU 74 HB3 LEU 74 6.450 5.445 0.443 444 HG LEU 74 HG LEU 74 5.838 4.313 -2.301 445 HD11 LEU 74 HD11 LEU 74 4.448 6.423 -0.619 446 HD12 LEU 74 HD12 LEU 74 3.907 4.765 -0.892 447 HD13 LEU 74 HD13 LEU 74 3.957 5.899 -2.236 448 HD21 LEU 74 HD21 LEU 74 6.809 7.129 -1.714 449 HD22 LEU 74 HD22 LEU 74 6.152 6.568 -3.252 450 HD23 LEU 74 HD23 LEU 74 7.662 5.895 -2.647 451 H LYS 75 H LYS 75 8.834 5.109 1.990 452 HA LYS 75 HA LYS 75 9.305 2.324 2.920 453 HB2 LYS 75 HB2 LYS 75 10.958 4.784 3.643 454 HB3 LYS 75 HB3 LYS 75 11.187 3.167 4.298 455 HG2 LYS 75 HG2 LYS 75 11.657 4.065 1.442 456 HG3 LYS 75 HG3 LYS 75 12.877 3.600 2.628 457 HD2 LYS 75 HD2 LYS 75 10.807 1.763 1.353 458 HD3 LYS 75 HD3 LYS 75 12.529 1.809 0.982 459 HE2 LYS 75 HE2 LYS 75 11.297 0.981 3.634 460 HE3 LYS 75 HE3 LYS 75 11.991 -0.100 2.427 461 HZ1 LYS 75 HZ1 LYS 75 13.539 0.295 4.197 462 HZ2 LYS 75 HZ2 LYS 75 13.456 1.968 3.971 463 HZ3 LYS 75 HZ3 LYS 75 14.132 0.986 2.771 464 H ASP 76 H ASP 76 9.112 2.006 5.187 465 HA ASP 76 HA ASP 76 6.712 3.113 6.245 466 HB2 ASP 76 HB2 ASP 76 7.048 1.565 8.099 467 HB3 ASP 76 HB3 ASP 76 7.410 0.753 6.587 468 H GLN 77 H GLN 77 10.041 4.017 6.564 469 HA GLN 77 HA GLN 77 9.829 5.524 8.992 470 HB2 GLN 77 HB2 GLN 77 12.026 6.380 8.467 471 HB3 GLN 77 HB3 GLN 77 11.990 4.667 8.064 472 HG2 GLN 77 HG2 GLN 77 11.710 5.239 5.669 473 HG3 GLN 77 HG3 GLN 77 11.756 6.956 6.077 474 HE21 GLN 77 HE21 GLN 77 13.607 7.369 4.854 475 HE22 GLN 77 HE22 GLN 77 15.171 6.777 5.279 476 H ASP 78 H ASP 78 8.890 6.192 5.704 477 HA ASP 78 HA ASP 78 8.362 9.037 6.389 478 HB2 ASP 78 HB2 ASP 78 8.311 9.477 3.929 479 HB3 ASP 78 HB3 ASP 78 9.869 8.873 4.462 480 H THR 79 H THR 79 6.474 9.867 4.949 481 HA THR 79 HA THR 79 4.186 7.979 4.995 482 HB THR 79 HB THR 79 2.671 9.756 5.463 483 HG1 THR 79 HG1 THR 79 4.020 12.041 5.412 484 HG21 THR 79 HG21 THR 79 4.059 9.342 7.467 485 HG22 THR 79 HG22 THR 79 3.529 11.024 7.393 486 HG23 THR 79 HG23 THR 79 5.183 10.599 6.943 487 H LEU 80 H LEU 80 2.697 8.228 3.228 488 HA LEU 80 HA LEU 80 3.812 8.519 0.668 489 HB2 LEU 80 HB2 LEU 80 1.381 8.452 -0.094 490 HB3 LEU 80 HB3 LEU 80 1.939 7.107 0.877 491 HG LEU 80 HG LEU 80 0.819 8.441 2.883 492 HD11 LEU 80 HD11 LEU 80 -0.744 9.596 0.559 493 HD12 LEU 80 HD12 LEU 80 0.275 10.489 1.691 494 HD13 LEU 80 HD13 LEU 80 -1.188 9.701 2.267 495 HD21 LEU 80 HD21 LEU 80 -0.859 6.956 0.842 496 HD22 LEU 80 HD22 LEU 80 -1.302 7.260 2.524 497 HD23 LEU 80 HD23 LEU 80 0.084 6.239 2.155 498 H SER 81 H SER 81 2.229 10.816 2.789 499 HA SER 81 HA SER 81 1.730 12.898 0.908 500 HB2 SER 81 HB2 SER 81 0.568 12.667 3.121 501 HB3 SER 81 HB3 SER 81 2.065 13.125 3.930 502 HG SER 81 HG SER 81 1.055 15.021 3.736 503 H GLN 82 H GLN 82 4.567 11.949 2.758 504 HA GLN 82 HA GLN 82 6.137 14.307 2.421 505 HB2 GLN 82 HB2 GLN 82 7.110 11.420 2.666 506 HB3 GLN 82 HB3 GLN 82 8.097 12.855 2.883 507 HG2 GLN 82 HG2 GLN 82 5.884 11.862 4.666 508 HG3 GLN 82 HG3 GLN 82 7.604 11.937 5.031 509 HE21 GLN 82 HE21 GLN 82 8.548 14.018 5.427 510 HE22 GLN 82 HE22 GLN 82 7.574 15.346 5.946 511 H HIS 83 H HIS 83 5.329 11.630 0.328 512 HA HIS 83 HA HIS 83 7.202 12.429 -1.794 513 HB2 HIS 83 HB2 HIS 83 5.152 10.164 -1.707 514 HB3 HIS 83 HB3 HIS 83 6.308 10.442 -3.011 515 HD1 HIS 83 HD1 HIS 83 8.759 9.837 -2.570 516 HD2 HIS 83 HD2 HIS 83 6.237 9.014 0.623 517 HE1 HIS 83 HE1 HIS 83 10.088 8.377 -1.024 518 HE2 HIS 83 HE2 HIS 83 8.498 7.798 0.823 519 H GLY 84 H GLY 84 4.369 13.623 -0.747 520 HA2 GLY 84 HA2 GLY 84 3.056 15.287 -1.644 521 HA3 GLY 84 HA3 GLY 84 3.778 15.004 -3.219 522 H ILE 85 H ILE 85 2.508 12.260 -1.581 523 HA ILE 85 HA ILE 85 0.413 11.916 -3.584 524 HB ILE 85 HB ILE 85 1.131 10.086 -1.243 525 HG12 ILE 85 HG12 ILE 85 2.075 9.856 -4.145 526 HG13 ILE 85 HG13 ILE 85 3.066 10.451 -2.814 527 HG21 ILE 85 HG21 ILE 85 -0.480 9.509 -3.765 528 HG22 ILE 85 HG22 ILE 85 -1.126 9.670 -2.132 529 HG23 ILE 85 HG23 ILE 85 -0.052 8.332 -2.523 530 HD11 ILE 85 HD11 ILE 85 1.925 7.678 -3.083 531 HD12 ILE 85 HD12 ILE 85 2.865 8.272 -1.710 532 HD13 ILE 85 HD13 ILE 85 3.600 8.169 -3.307 533 H HIS 86 H HIS 86 -1.501 12.785 -3.227 534 HA HIS 86 HA HIS 86 -2.644 13.001 -0.505 535 HB2 HIS 86 HB2 HIS 86 -2.657 15.240 -2.596 536 HB3 HIS 86 HB3 HIS 86 -3.412 15.308 -1.008 537 HD1 HIS 86 HD1 HIS 86 -0.724 16.795 -2.519 538 HD2 HIS 86 HD2 HIS 86 -0.989 14.524 0.947 539 HE1 HIS 86 HE1 HIS 86 1.273 17.426 -1.144 540 HE2 HIS 86 HE2 HIS 86 0.981 16.178 1.023 541 H ASP 87 H ASP 87 -5.047 14.161 -1.170 542 HA ASP 87 HA ASP 87 -6.645 12.142 -2.237 543 HB2 ASP 87 HB2 ASP 87 -8.472 13.864 -2.277 544 HB3 ASP 87 HB3 ASP 87 -7.608 13.790 -0.751 545 H GLY 88 H GLY 88 -6.783 11.417 -4.268 546 HA2 GLY 88 HA2 GLY 88 -7.501 11.757 -6.539 547 HA3 GLY 88 HA3 GLY 88 -6.673 13.302 -6.555 548 H LEU 89 H LEU 89 -4.353 11.803 -5.114 549 HA LEU 89 HA LEU 89 -2.899 11.189 -7.555 550 HB2 LEU 89 HB2 LEU 89 -2.077 11.308 -4.630 551 HB3 LEU 89 HB3 LEU 89 -0.991 10.660 -5.842 552 HG LEU 89 HG LEU 89 -0.383 12.960 -5.353 553 HD11 LEU 89 HD11 LEU 89 -0.403 13.927 -7.601 554 HD12 LEU 89 HD12 LEU 89 -1.636 12.771 -8.105 555 HD13 LEU 89 HD13 LEU 89 -0.031 12.206 -7.640 556 HD21 LEU 89 HD21 LEU 89 -2.521 13.809 -4.539 557 HD22 LEU 89 HD22 LEU 89 -3.190 13.769 -6.174 558 HD23 LEU 89 HD23 LEU 89 -1.861 14.869 -5.785 559 H THR 90 H THR 90 -1.977 9.232 -8.103 560 HA THR 90 HA THR 90 -3.081 6.795 -6.839 561 HB THR 90 HB THR 90 -2.368 7.195 -9.785 562 HG1 THR 90 HG1 THR 90 -4.302 8.316 -8.820 563 HG21 THR 90 HG21 THR 90 -2.174 4.822 -9.040 564 HG22 THR 90 HG22 THR 90 -3.526 5.045 -10.150 565 HG23 THR 90 HG23 THR 90 -3.828 4.890 -8.419 566 H VAL 91 H VAL 91 -1.684 5.232 -6.289 567 HA VAL 91 HA VAL 91 1.224 5.624 -6.720 568 HB VAL 91 HB VAL 91 -0.038 3.883 -4.543 569 HG11 VAL 91 HG11 VAL 91 2.333 3.433 -4.996 570 HG12 VAL 91 HG12 VAL 91 2.140 4.157 -3.399 571 HG13 VAL 91 HG13 VAL 91 2.729 5.136 -4.747 572 HG21 VAL 91 HG21 VAL 91 -0.904 6.161 -4.244 573 HG22 VAL 91 HG22 VAL 91 0.738 6.803 -4.256 574 HG23 VAL 91 HG23 VAL 91 0.217 5.740 -2.947 575 H HIS 92 H HIS 92 2.476 3.830 -7.362 576 HA HIS 92 HA HIS 92 1.076 1.575 -8.635 577 HB2 HIS 92 HB2 HIS 92 4.045 2.335 -8.544 578 HB3 HIS 92 HB3 HIS 92 3.433 0.896 -9.351 579 HD1 HIS 92 HD1 HIS 92 3.548 1.291 -11.773 580 HD2 HIS 92 HD2 HIS 92 2.328 4.695 -9.750 581 HE1 HIS 92 HE1 HIS 92 3.092 2.995 -13.552 582 HE2 HIS 92 HE2 HIS 92 2.166 4.972 -12.306 583 H LEU 93 H LEU 93 0.461 0.010 -7.158 584 HA LEU 93 HA LEU 93 2.422 -0.868 -5.118 585 HB2 LEU 93 HB2 LEU 93 0.180 -0.430 -4.225 586 HB3 LEU 93 HB3 LEU 93 -0.531 -1.520 -5.406 587 HG LEU 93 HG LEU 93 0.769 -3.422 -4.332 588 HD11 LEU 93 HD11 LEU 93 1.667 -3.143 -2.080 589 HD12 LEU 93 HD12 LEU 93 1.360 -1.407 -2.152 590 HD13 LEU 93 HD13 LEU 93 2.537 -2.144 -3.241 591 HD21 LEU 93 HD21 LEU 93 -1.599 -3.086 -3.833 592 HD22 LEU 93 HD22 LEU 93 -1.185 -1.990 -2.514 593 HD23 LEU 93 HD23 LEU 93 -0.733 -3.696 -2.427 594 H VAL 94 H VAL 94 3.526 -2.595 -5.482 595 HA VAL 94 HA VAL 94 2.580 -4.675 -7.375 596 HB VAL 94 HB VAL 94 5.496 -4.065 -6.662 597 HG11 VAL 94 HG11 VAL 94 6.035 -5.543 -8.574 598 HG12 VAL 94 HG12 VAL 94 4.318 -5.878 -8.801 599 HG13 VAL 94 HG13 VAL 94 5.129 -6.388 -7.320 600 HG21 VAL 94 HG21 VAL 94 4.005 -3.240 -9.193 601 HG22 VAL 94 HG22 VAL 94 5.739 -3.058 -8.911 602 HG23 VAL 94 HG23 VAL 94 4.589 -2.157 -7.924 603 H ILE 95 H ILE 95 1.828 -6.299 -6.181 604 HA ILE 95 HA ILE 95 2.763 -6.802 -3.463 605 HB ILE 95 HB ILE 95 0.671 -8.392 -5.025 606 HG12 ILE 95 HG12 ILE 95 0.237 -5.920 -3.262 607 HG13 ILE 95 HG13 ILE 95 -0.073 -6.046 -4.989 608 HG21 ILE 95 HG21 ILE 95 1.579 -9.531 -3.042 609 HG22 ILE 95 HG22 ILE 95 -0.104 -9.090 -2.780 610 HG23 ILE 95 HG23 ILE 95 1.179 -8.142 -2.028 611 HD11 ILE 95 HD11 ILE 95 -2.132 -6.130 -3.768 612 HD12 ILE 95 HD12 ILE 95 -1.554 -7.483 -2.796 613 HD13 ILE 95 HD13 ILE 95 -1.838 -7.696 -4.526 614 H LYS 96 H LYS 96 4.495 -8.020 -3.221 615 HA LYS 96 HA LYS 96 5.461 -9.832 -5.274 616 HB2 LYS 96 HB2 LYS 96 6.728 -9.042 -2.610 617 HB3 LYS 96 HB3 LYS 96 7.522 -9.919 -3.914 618 HG2 LYS 96 HG2 LYS 96 6.566 -7.036 -3.988 619 HG3 LYS 96 HG3 LYS 96 8.241 -7.591 -3.922 620 HD2 LYS 96 HD2 LYS 96 6.310 -8.072 -6.236 621 HD3 LYS 96 HD3 LYS 96 7.566 -6.839 -6.199 622 HE2 LYS 96 HE2 LYS 96 8.048 -9.844 -6.126 623 HE3 LYS 96 HE3 LYS 96 8.252 -8.803 -7.535 624 HZ1 LYS 96 HZ1 LYS 96 10.355 -9.253 -6.447 625 HZ2 LYS 96 HZ2 LYS 96 9.777 -8.595 -5.001 626 HZ3 LYS 96 HZ3 LYS 96 9.978 -7.604 -6.354 627 H THR 97 H THR 97 3.183 -10.853 -4.458 628 HA THR 97 HA THR 97 3.667 -13.017 -2.507 629 HB THR 97 HB THR 97 1.560 -11.677 -2.362 630 HG1 THR 97 HG1 THR 97 1.502 -13.808 -1.616 631 HG21 THR 97 HG21 THR 97 -0.225 -11.941 -4.030 632 HG22 THR 97 HG22 THR 97 0.842 -12.896 -5.056 633 HG23 THR 97 HG23 THR 97 1.197 -11.193 -4.756 634 H GLN 98 H GLN 98 2.290 -15.117 -3.430 635 HA GLN 98 HA GLN 98 2.682 -15.553 -6.292 636 HB2 GLN 98 HB2 GLN 98 3.876 -17.679 -6.006 637 HB3 GLN 98 HB3 GLN 98 4.802 -16.357 -5.305 638 HG2 GLN 98 HG2 GLN 98 4.128 -17.014 -3.056 639 HG3 GLN 98 HG3 GLN 98 3.078 -18.274 -3.704 640 HE21 GLN 98 HE21 GLN 98 5.342 -18.500 -1.852 641 HE22 GLN 98 HE22 GLN 98 6.442 -19.614 -2.582 642 H ASN 99 H ASN 99 1.039 -16.179 -3.327 643 HA ASN 99 HA ASN 99 -0.732 -18.190 -4.607 644 HB2 ASN 99 HB2 ASN 99 0.321 -18.143 -1.740 645 HB3 ASN 99 HB3 ASN 99 -1.003 -19.179 -2.262 646 HD21 ASN 99 HD21 ASN 99 1.627 -19.941 -1.196 647 HD22 ASN 99 HD22 ASN 99 2.349 -20.957 -2.389 648 H ARG 100 H ARG 100 -1.020 -15.302 -4.548 649 HA ARG 100 HA ARG 100 -3.667 -15.153 -3.204 650 HB2 ARG 100 HB2 ARG 100 -1.754 -12.864 -3.868 651 HB3 ARG 100 HB3 ARG 100 -3.393 -12.644 -3.271 652 HG2 ARG 100 HG2 ARG 100 -1.114 -13.973 -1.771 653 HG3 ARG 100 HG3 ARG 100 -1.750 -12.353 -1.477 654 HD2 ARG 100 HD2 ARG 100 -3.873 -13.265 -0.737 655 HD3 ARG 100 HD3 ARG 100 -3.381 -14.901 -1.186 656 HE ARG 100 HE ARG 100 -2.452 -13.335 1.118 657 HH11 ARG 100 HH11 ARG 100 -2.353 -16.373 -0.655 658 HH12 ARG 100 HH12 ARG 100 -1.641 -17.250 0.664 659 HH21 ARG 100 HH21 ARG 100 -1.551 -14.527 2.853 660 HH22 ARG 100 HH22 ARG 100 -1.183 -16.208 2.630 661 HA PRO 101 HA PRO 101 -5.698 -14.760 -7.274 662 HB2 PRO 101 HB2 PRO 101 -7.260 -12.637 -5.772 663 HB3 PRO 101 HB3 PRO 101 -7.854 -13.936 -6.818 664 HG2 PRO 101 HG2 PRO 101 -8.026 -14.172 -4.170 665 HG3 PRO 101 HG3 PRO 101 -7.559 -15.576 -5.158 666 HD2 PRO 101 HD2 PRO 101 -5.839 -13.797 -3.450 667 HD3 PRO 101 HD3 PRO 101 -5.719 -15.546 -3.733 Start of MODEL 6 1 HA PRO 23 HA PRO 23 -13.476 19.107 6.192 2 HB2 PRO 23 HB2 PRO 23 -10.850 17.883 6.835 3 HB3 PRO 23 HB3 PRO 23 -11.215 19.535 6.302 4 HG2 PRO 23 HG2 PRO 23 -10.468 18.966 8.857 5 HG3 PRO 23 HG3 PRO 23 -11.568 20.303 8.463 6 HD2 PRO 23 HD2 PRO 23 -12.247 17.534 9.494 7 HD3 PRO 23 HD3 PRO 23 -12.887 19.109 10.005 8 H LYS 24 H LYS 24 -12.426 17.679 4.445 9 HA LYS 24 HA LYS 24 -13.596 15.047 4.423 10 HB2 LYS 24 HB2 LYS 24 -13.410 16.459 2.347 11 HB3 LYS 24 HB3 LYS 24 -11.659 16.296 2.420 12 HG2 LYS 24 HG2 LYS 24 -12.062 13.741 2.302 13 HG3 LYS 24 HG3 LYS 24 -13.718 14.137 1.854 14 HD2 LYS 24 HD2 LYS 24 -11.195 14.899 0.340 15 HD3 LYS 24 HD3 LYS 24 -12.372 13.668 -0.131 16 HE2 LYS 24 HE2 LYS 24 -14.088 15.424 -0.401 17 HE3 LYS 24 HE3 LYS 24 -12.912 16.651 0.077 18 HZ1 LYS 24 HZ1 LYS 24 -12.766 14.913 -2.318 19 HZ2 LYS 24 HZ2 LYS 24 -11.561 15.998 -1.844 20 HZ3 LYS 24 HZ3 LYS 24 -13.086 16.572 -2.296 21 H ILE 25 H ILE 25 -12.528 13.086 4.483 22 HA ILE 25 HA ILE 25 -9.832 12.988 5.625 23 HB ILE 25 HB ILE 25 -11.839 11.607 6.462 24 HG12 ILE 25 HG12 ILE 25 -9.332 10.011 5.779 25 HG13 ILE 25 HG13 ILE 25 -9.407 11.220 7.056 26 HG21 ILE 25 HG21 ILE 25 -11.206 9.879 4.039 27 HG22 ILE 25 HG22 ILE 25 -12.679 10.821 4.275 28 HG23 ILE 25 HG23 ILE 25 -12.322 9.468 5.347 29 HD11 ILE 25 HD11 ILE 25 -11.140 9.897 8.170 30 HD12 ILE 25 HD12 ILE 25 -9.609 9.046 7.983 31 HD13 ILE 25 HD13 ILE 25 -10.964 8.658 6.925 32 H MET 26 H MET 26 -8.120 11.699 4.544 33 HA MET 26 HA MET 26 -8.092 12.332 1.715 34 HB2 MET 26 HB2 MET 26 -6.083 12.763 3.063 35 HB3 MET 26 HB3 MET 26 -5.947 11.060 3.472 36 HG2 MET 26 HG2 MET 26 -5.537 10.538 1.087 37 HG3 MET 26 HG3 MET 26 -5.634 12.256 0.704 38 HE1 MET 26 HE1 MET 26 -2.446 13.677 2.490 39 HE2 MET 26 HE2 MET 26 -4.114 13.689 3.066 40 HE3 MET 26 HE3 MET 26 -3.754 14.039 1.374 41 H LYS 27 H LYS 27 -9.021 11.021 0.341 42 HA LYS 27 HA LYS 27 -9.400 8.181 0.742 43 HB2 LYS 27 HB2 LYS 27 -10.055 9.756 -1.791 44 HB3 LYS 27 HB3 LYS 27 -10.781 8.257 -1.226 45 HG2 LYS 27 HG2 LYS 27 -11.176 11.030 -0.058 46 HG3 LYS 27 HG3 LYS 27 -12.361 10.076 -0.951 47 HD2 LYS 27 HD2 LYS 27 -11.217 9.388 1.792 48 HD3 LYS 27 HD3 LYS 27 -12.815 10.068 1.480 49 HE2 LYS 27 HE2 LYS 27 -11.847 7.337 0.532 50 HE3 LYS 27 HE3 LYS 27 -12.922 7.621 1.900 51 HZ1 LYS 27 HZ1 LYS 27 -14.168 6.983 -0.028 52 HZ2 LYS 27 HZ2 LYS 27 -13.497 8.232 -0.943 53 HZ3 LYS 27 HZ3 LYS 27 -14.524 8.590 0.350 54 H VAL 28 H VAL 28 -7.405 7.206 0.629 55 HA VAL 28 HA VAL 28 -5.690 7.605 -1.742 56 HB VAL 28 HB VAL 28 -5.114 5.936 0.762 57 HG11 VAL 28 HG11 VAL 28 -2.745 6.092 0.026 58 HG12 VAL 28 HG12 VAL 28 -3.261 6.935 -1.435 59 HG13 VAL 28 HG13 VAL 28 -3.761 5.268 -1.157 60 HG21 VAL 28 HG21 VAL 28 -4.269 8.804 0.201 61 HG22 VAL 28 HG22 VAL 28 -3.721 7.814 1.556 62 HG23 VAL 28 HG23 VAL 28 -5.421 8.270 1.433 63 H THR 29 H THR 29 -6.409 6.353 -3.408 64 HA THR 29 HA THR 29 -7.469 3.673 -2.969 65 HB THR 29 HB THR 29 -6.847 5.069 -5.624 66 HG1 THR 29 HG1 THR 29 -8.555 5.877 -3.938 67 HG21 THR 29 HG21 THR 29 -8.483 3.451 -6.559 68 HG22 THR 29 HG22 THR 29 -8.645 2.694 -4.974 69 HG23 THR 29 HG23 THR 29 -7.108 2.612 -5.837 70 H VAL 30 H VAL 30 -6.346 1.811 -3.291 71 HA VAL 30 HA VAL 30 -3.531 1.943 -4.209 72 HB VAL 30 HB VAL 30 -4.787 0.207 -2.033 73 HG11 VAL 30 HG11 VAL 30 -2.551 -0.864 -1.749 74 HG12 VAL 30 HG12 VAL 30 -1.981 -0.035 -3.201 75 HG13 VAL 30 HG13 VAL 30 -3.273 -1.231 -3.316 76 HG21 VAL 30 HG21 VAL 30 -4.142 2.467 -1.307 77 HG22 VAL 30 HG22 VAL 30 -2.504 2.226 -1.926 78 HG23 VAL 30 HG23 VAL 30 -3.088 1.260 -0.566 79 H LYS 31 H LYS 31 -3.431 1.106 -6.164 80 HA LYS 31 HA LYS 31 -5.183 -1.119 -6.997 81 HB2 LYS 31 HB2 LYS 31 -4.859 1.078 -8.354 82 HB3 LYS 31 HB3 LYS 31 -3.259 0.477 -8.755 83 HG2 LYS 31 HG2 LYS 31 -5.734 -1.167 -9.350 84 HG3 LYS 31 HG3 LYS 31 -5.244 0.131 -10.436 85 HD2 LYS 31 HD2 LYS 31 -3.116 -0.971 -10.876 86 HD3 LYS 31 HD3 LYS 31 -3.454 -2.208 -9.665 87 HE2 LYS 31 HE2 LYS 31 -3.836 -3.103 -11.900 88 HE3 LYS 31 HE3 LYS 31 -5.362 -3.005 -11.029 89 HZ1 LYS 31 HZ1 LYS 31 -5.802 -0.914 -12.224 90 HZ2 LYS 31 HZ2 LYS 31 -5.673 -2.252 -13.242 91 HZ3 LYS 31 HZ3 LYS 31 -4.396 -1.158 -13.130 92 H THR 32 H THR 32 -4.324 -3.082 -7.509 93 HA THR 32 HA THR 32 -1.451 -3.631 -7.001 94 HB THR 32 HB THR 32 -2.191 -5.763 -5.885 95 HG1 THR 32 HG1 THR 32 -4.823 -4.729 -5.764 96 HG21 THR 32 HG21 THR 32 -3.076 -4.790 -3.789 97 HG22 THR 32 HG22 THR 32 -3.405 -3.272 -4.636 98 HG23 THR 32 HG23 THR 32 -1.745 -3.840 -4.441 99 HA PRO 33 HA PRO 33 -1.874 -6.299 -10.729 100 HB2 PRO 33 HB2 PRO 33 -0.371 -8.499 -10.099 101 HB3 PRO 33 HB3 PRO 33 0.353 -6.922 -10.451 102 HG2 PRO 33 HG2 PRO 33 -0.259 -8.158 -7.757 103 HG3 PRO 33 HG3 PRO 33 1.256 -7.413 -8.327 104 HD2 PRO 33 HD2 PRO 33 -0.500 -6.031 -6.822 105 HD3 PRO 33 HD3 PRO 33 0.415 -5.242 -8.123 106 H LYS 34 H LYS 34 -4.120 -6.436 -8.949 107 HA LYS 34 HA LYS 34 -5.096 -9.166 -9.045 108 HB2 LYS 34 HB2 LYS 34 -4.590 -7.677 -6.424 109 HB3 LYS 34 HB3 LYS 34 -5.620 -9.099 -6.544 110 HG2 LYS 34 HG2 LYS 34 -3.805 -10.542 -6.956 111 HG3 LYS 34 HG3 LYS 34 -2.730 -9.221 -7.416 112 HD2 LYS 34 HD2 LYS 34 -2.506 -8.482 -5.161 113 HD3 LYS 34 HD3 LYS 34 -3.824 -9.519 -4.608 114 HE2 LYS 34 HE2 LYS 34 -1.139 -10.457 -5.645 115 HE3 LYS 34 HE3 LYS 34 -1.639 -10.423 -3.955 116 HZ1 LYS 34 HZ1 LYS 34 -1.882 -12.613 -4.820 117 HZ2 LYS 34 HZ2 LYS 34 -2.819 -12.076 -6.118 118 HZ3 LYS 34 HZ3 LYS 34 -3.422 -11.985 -4.543 119 H GLU 35 H GLU 35 -5.643 -6.035 -7.406 120 HA GLU 35 HA GLU 35 -8.161 -5.443 -8.647 121 HB2 GLU 35 HB2 GLU 35 -9.551 -5.640 -6.571 122 HB3 GLU 35 HB3 GLU 35 -8.976 -7.204 -7.140 123 HG2 GLU 35 HG2 GLU 35 -7.248 -7.255 -5.420 124 HG3 GLU 35 HG3 GLU 35 -7.671 -5.625 -4.902 125 H LYS 36 H LYS 36 -9.249 -3.717 -6.780 126 HA LYS 36 HA LYS 36 -7.100 -1.981 -5.767 127 HB2 LYS 36 HB2 LYS 36 -8.238 0.043 -6.731 128 HB3 LYS 36 HB3 LYS 36 -7.565 -1.030 -7.955 129 HG2 LYS 36 HG2 LYS 36 -9.798 -1.948 -8.425 130 HG3 LYS 36 HG3 LYS 36 -10.501 -0.933 -7.166 131 HD2 LYS 36 HD2 LYS 36 -9.109 0.122 -9.657 132 HD3 LYS 36 HD3 LYS 36 -10.855 -0.065 -9.491 133 HE2 LYS 36 HE2 LYS 36 -10.865 1.553 -7.640 134 HE3 LYS 36 HE3 LYS 36 -9.113 1.727 -7.760 135 HZ1 LYS 36 HZ1 LYS 36 -10.233 3.517 -8.884 136 HZ2 LYS 36 HZ2 LYS 36 -11.082 2.430 -9.858 137 HZ3 LYS 36 HZ3 LYS 36 -9.407 2.564 -10.007 138 H GLU 37 H GLU 37 -7.565 -1.142 -3.824 139 HA GLU 37 HA GLU 37 -10.371 -0.974 -2.873 140 HB2 GLU 37 HB2 GLU 37 -7.936 -1.966 -1.307 141 HB3 GLU 37 HB3 GLU 37 -9.445 -1.493 -0.537 142 HG2 GLU 37 HG2 GLU 37 -9.225 -3.727 -2.584 143 HG3 GLU 37 HG3 GLU 37 -9.132 -3.973 -0.841 144 H GLU 38 H GLU 38 -10.877 0.985 -2.006 145 HA GLU 38 HA GLU 38 -8.806 3.069 -1.929 146 HB2 GLU 38 HB2 GLU 38 -10.759 3.505 -3.384 147 HB3 GLU 38 HB3 GLU 38 -11.840 3.327 -2.005 148 HG2 GLU 38 HG2 GLU 38 -10.669 5.287 -0.924 149 HG3 GLU 38 HG3 GLU 38 -9.754 5.496 -2.417 150 H PHE 39 H PHE 39 -8.122 3.717 -0.045 151 HA PHE 39 HA PHE 39 -9.469 2.996 2.457 152 HB2 PHE 39 HB2 PHE 39 -6.596 3.896 1.950 153 HB3 PHE 39 HB3 PHE 39 -7.246 3.350 3.494 154 HD1 PHE 39 HD1 PHE 39 -7.755 0.968 3.867 155 HD2 PHE 39 HD2 PHE 39 -6.094 2.302 0.160 156 HE1 PHE 39 HE1 PHE 39 -7.206 -1.345 3.269 157 HE2 PHE 39 HE2 PHE 39 -5.553 -0.025 -0.421 158 HZ PHE 39 HZ PHE 39 -6.110 -1.849 1.125 159 H ALA 40 H ALA 40 -9.275 4.602 4.221 160 HA ALA 40 HA ALA 40 -9.322 7.433 3.352 161 HB1 ALA 40 HB1 ALA 40 -11.327 6.043 5.169 162 HB2 ALA 40 HB2 ALA 40 -11.635 6.659 3.544 163 HB3 ALA 40 HB3 ALA 40 -11.265 7.777 4.854 164 H VAL 41 H VAL 41 -7.759 8.445 4.433 165 HA VAL 41 HA VAL 41 -7.058 7.716 7.208 166 HB VAL 41 HB VAL 41 -4.627 7.887 6.700 167 HG11 VAL 41 HG11 VAL 41 -6.015 5.775 5.008 168 HG12 VAL 41 HG12 VAL 41 -5.638 5.652 6.727 169 HG13 VAL 41 HG13 VAL 41 -4.333 5.724 5.544 170 HG21 VAL 41 HG21 VAL 41 -3.782 7.855 4.366 171 HG22 VAL 41 HG22 VAL 41 -4.674 9.337 4.707 172 HG23 VAL 41 HG23 VAL 41 -5.430 8.052 3.762 173 HA PRO 42 HA PRO 42 -7.393 12.163 7.466 174 HB2 PRO 42 HB2 PRO 42 -6.772 12.577 10.037 175 HB3 PRO 42 HB3 PRO 42 -8.142 11.544 9.604 176 HG2 PRO 42 HG2 PRO 42 -5.348 10.733 10.418 177 HG3 PRO 42 HG3 PRO 42 -6.904 10.086 10.980 178 HD2 PRO 42 HD2 PRO 42 -5.362 8.924 8.984 179 HD3 PRO 42 HD3 PRO 42 -7.116 8.688 9.149 180 H GLU 43 H GLU 43 -5.050 11.447 6.112 181 HA GLU 43 HA GLU 43 -2.941 11.827 5.516 182 HB2 GLU 43 HB2 GLU 43 -2.275 14.090 5.212 183 HB3 GLU 43 HB3 GLU 43 -4.027 14.070 5.100 184 HG2 GLU 43 HG2 GLU 43 -4.157 14.966 7.426 185 HG3 GLU 43 HG3 GLU 43 -2.395 15.018 7.471 186 H ASN 44 H ASN 44 -3.413 11.211 8.575 187 HA ASN 44 HA ASN 44 -0.846 12.090 9.692 188 HB2 ASN 44 HB2 ASN 44 -2.919 12.498 11.018 189 HB3 ASN 44 HB3 ASN 44 -3.262 10.774 11.021 190 HD21 ASN 44 HD21 ASN 44 -1.994 9.400 12.346 191 HD22 ASN 44 HD22 ASN 44 -1.010 10.022 13.621 192 H SER 45 H SER 45 -2.662 9.297 8.618 193 HA SER 45 HA SER 45 -1.071 7.253 9.712 194 HB2 SER 45 HB2 SER 45 -2.753 7.170 7.180 195 HB3 SER 45 HB3 SER 45 -2.194 5.775 8.112 196 HG SER 45 HG SER 45 -3.897 6.026 9.289 197 H SER 46 H SER 46 1.053 7.209 9.374 198 HA SER 46 HA SER 46 2.462 7.774 6.980 199 HB2 SER 46 HB2 SER 46 4.313 6.498 8.084 200 HB3 SER 46 HB3 SER 46 3.582 7.677 9.175 201 HG SER 46 HG SER 46 3.550 5.934 10.413 202 H VAL 47 H VAL 47 3.696 6.004 5.726 203 HA VAL 47 HA VAL 47 1.934 4.056 4.654 204 HB VAL 47 HB VAL 47 4.975 4.184 4.482 205 HG11 VAL 47 HG11 VAL 47 4.770 2.780 2.444 206 HG12 VAL 47 HG12 VAL 47 3.040 2.596 2.744 207 HG13 VAL 47 HG13 VAL 47 4.210 1.927 3.883 208 HG21 VAL 47 HG21 VAL 47 4.627 5.293 2.316 209 HG22 VAL 47 HG22 VAL 47 3.866 6.210 3.614 210 HG23 VAL 47 HG23 VAL 47 2.877 5.220 2.537 211 H GLN 48 H GLN 48 4.262 3.969 7.298 212 HA GLN 48 HA GLN 48 4.324 1.238 7.943 213 HB2 GLN 48 HB2 GLN 48 5.844 2.795 9.002 214 HB3 GLN 48 HB3 GLN 48 4.518 3.719 9.685 215 HG2 GLN 48 HG2 GLN 48 5.710 2.366 11.376 216 HG3 GLN 48 HG3 GLN 48 4.006 1.937 11.260 217 HE21 GLN 48 HE21 GLN 48 4.377 -0.086 12.219 218 HE22 GLN 48 HE22 GLN 48 5.174 -1.378 11.396 219 H GLN 49 H GLN 49 1.923 3.712 8.745 220 HA GLN 49 HA GLN 49 0.308 1.862 10.349 221 HB2 GLN 49 HB2 GLN 49 -0.094 4.794 9.597 222 HB3 GLN 49 HB3 GLN 49 -1.162 3.877 10.661 223 HG2 GLN 49 HG2 GLN 49 0.641 3.572 12.283 224 HG3 GLN 49 HG3 GLN 49 1.779 4.383 11.208 225 HE21 GLN 49 HE21 GLN 49 0.873 5.046 13.976 226 HE22 GLN 49 HE22 GLN 49 0.328 6.681 13.885 227 H PHE 50 H PHE 50 0.576 2.781 7.086 228 HA PHE 50 HA PHE 50 -2.262 2.638 6.433 229 HB2 PHE 50 HB2 PHE 50 -0.820 4.415 5.480 230 HB3 PHE 50 HB3 PHE 50 0.152 3.191 4.673 231 HD1 PHE 50 HD1 PHE 50 -3.442 4.214 4.976 232 HD2 PHE 50 HD2 PHE 50 -0.334 2.797 2.409 233 HE1 PHE 50 HE1 PHE 50 -4.965 4.324 3.063 234 HE2 PHE 50 HE2 PHE 50 -1.874 2.906 0.501 235 HZ PHE 50 HZ PHE 50 -4.189 3.663 0.826 236 H LYS 51 H LYS 51 0.714 0.792 5.742 237 HA LYS 51 HA LYS 51 -0.563 -0.987 3.908 238 HB2 LYS 51 HB2 LYS 51 1.474 -1.977 3.532 239 HB3 LYS 51 HB3 LYS 51 1.970 -0.391 4.069 240 HG2 LYS 51 HG2 LYS 51 2.033 -2.932 5.721 241 HG3 LYS 51 HG3 LYS 51 3.411 -2.168 4.934 242 HD2 LYS 51 HD2 LYS 51 2.763 -0.094 6.417 243 HD3 LYS 51 HD3 LYS 51 1.872 -1.273 7.373 244 HE2 LYS 51 HE2 LYS 51 4.851 -1.280 6.789 245 HE3 LYS 51 HE3 LYS 51 4.080 -0.927 8.332 246 HZ1 LYS 51 HZ1 LYS 51 3.225 -3.240 8.284 247 HZ2 LYS 51 HZ2 LYS 51 4.900 -3.111 8.413 248 HZ3 LYS 51 HZ3 LYS 51 4.203 -3.524 6.929 249 H GLU 52 H GLU 52 -0.478 -0.826 7.281 250 HA GLU 52 HA GLU 52 -1.188 -3.464 8.040 251 HB2 GLU 52 HB2 GLU 52 -2.120 -0.870 9.333 252 HB3 GLU 52 HB3 GLU 52 -1.937 -2.439 10.112 253 HG2 GLU 52 HG2 GLU 52 0.372 -0.882 8.948 254 HG3 GLU 52 HG3 GLU 52 -0.164 -0.689 10.616 255 H GLU 53 H GLU 53 -3.096 -0.631 7.011 256 HA GLU 53 HA GLU 53 -5.672 -1.877 7.206 257 HB2 GLU 53 HB2 GLU 53 -4.814 0.592 5.636 258 HB3 GLU 53 HB3 GLU 53 -6.482 0.102 5.923 259 HG2 GLU 53 HG2 GLU 53 -4.462 1.014 7.994 260 HG3 GLU 53 HG3 GLU 53 -5.891 1.892 7.448 261 H ILE 54 H ILE 54 -3.255 -1.522 4.696 262 HA ILE 54 HA ILE 54 -4.672 -2.560 2.496 263 HB ILE 54 HB ILE 54 -1.712 -2.478 3.191 264 HG12 ILE 54 HG12 ILE 54 -3.381 -0.882 1.180 265 HG13 ILE 54 HG13 ILE 54 -2.796 -0.292 2.732 266 HG21 ILE 54 HG21 ILE 54 -2.012 -4.409 1.710 267 HG22 ILE 54 HG22 ILE 54 -1.164 -3.108 0.879 268 HG23 ILE 54 HG23 ILE 54 -2.870 -3.402 0.544 269 HD11 ILE 54 HD11 ILE 54 -0.497 -0.469 1.937 270 HD12 ILE 54 HD12 ILE 54 -1.476 0.558 0.892 271 HD13 ILE 54 HD13 ILE 54 -1.073 -1.081 0.381 272 H SER 55 H SER 55 -2.823 -4.187 5.067 273 HA SER 55 HA SER 55 -2.594 -6.703 3.806 274 HB2 SER 55 HB2 SER 55 -1.861 -7.526 6.047 275 HB3 SER 55 HB3 SER 55 -1.051 -6.042 5.554 276 HG SER 55 HG SER 55 -3.353 -5.673 7.040 277 H LYS 56 H LYS 56 -5.247 -5.331 5.588 278 HA LYS 56 HA LYS 56 -6.512 -7.922 6.099 279 HB2 LYS 56 HB2 LYS 56 -8.273 -6.680 7.209 280 HB3 LYS 56 HB3 LYS 56 -6.721 -6.034 7.733 281 HG2 LYS 56 HG2 LYS 56 -7.037 -4.188 6.005 282 HG3 LYS 56 HG3 LYS 56 -8.678 -4.788 5.783 283 HD2 LYS 56 HD2 LYS 56 -8.688 -2.887 7.305 284 HD3 LYS 56 HD3 LYS 56 -9.155 -4.349 8.177 285 HE2 LYS 56 HE2 LYS 56 -6.957 -4.514 9.187 286 HE3 LYS 56 HE3 LYS 56 -6.347 -3.189 8.197 287 HZ1 LYS 56 HZ1 LYS 56 -6.856 -2.471 10.427 288 HZ2 LYS 56 HZ2 LYS 56 -8.462 -2.974 10.269 289 HZ3 LYS 56 HZ3 LYS 56 -7.875 -1.700 9.323 290 H ARG 57 H ARG 57 -6.661 -5.344 3.742 291 HA ARG 57 HA ARG 57 -9.195 -6.169 2.622 292 HB2 ARG 57 HB2 ARG 57 -7.125 -4.130 1.728 293 HB3 ARG 57 HB3 ARG 57 -8.618 -4.433 0.847 294 HG2 ARG 57 HG2 ARG 57 -8.526 -3.523 3.745 295 HG3 ARG 57 HG3 ARG 57 -8.670 -2.429 2.371 296 HD2 ARG 57 HD2 ARG 57 -10.862 -2.799 3.340 297 HD3 ARG 57 HD3 ARG 57 -10.802 -3.526 1.735 298 HE ARG 57 HE ARG 57 -10.411 -5.183 4.152 299 HH11 ARG 57 HH11 ARG 57 -12.330 -4.466 1.290 300 HH12 ARG 57 HH12 ARG 57 -13.244 -5.939 1.396 301 HH21 ARG 57 HH21 ARG 57 -11.601 -7.111 4.249 302 HH22 ARG 57 HH22 ARG 57 -12.828 -7.436 3.063 303 H PHE 58 H PHE 58 -5.823 -6.195 1.511 304 HA PHE 58 HA PHE 58 -6.449 -8.001 -0.694 305 HB2 PHE 58 HB2 PHE 58 -3.807 -6.745 0.146 306 HB3 PHE 58 HB3 PHE 58 -4.094 -7.634 -1.351 307 HD1 PHE 58 HD1 PHE 58 -5.716 -6.653 -3.072 308 HD2 PHE 58 HD2 PHE 58 -4.389 -4.411 0.317 309 HE1 PHE 58 HE1 PHE 58 -6.434 -4.563 -4.162 310 HE2 PHE 58 HE2 PHE 58 -5.103 -2.334 -0.781 311 HZ PHE 58 HZ PHE 58 -6.129 -2.405 -3.019 312 H LYS 59 H LYS 59 -5.935 -8.454 2.544 313 HA LYS 59 HA LYS 59 -5.482 -10.199 3.887 314 HB2 LYS 59 HB2 LYS 59 -6.224 -11.706 1.360 315 HB3 LYS 59 HB3 LYS 59 -5.990 -12.509 2.910 316 HG2 LYS 59 HG2 LYS 59 -8.068 -10.376 2.300 317 HG3 LYS 59 HG3 LYS 59 -8.370 -12.111 2.464 318 HD2 LYS 59 HD2 LYS 59 -7.639 -12.010 4.834 319 HD3 LYS 59 HD3 LYS 59 -7.338 -10.277 4.670 320 HE2 LYS 59 HE2 LYS 59 -9.480 -10.663 5.779 321 HE3 LYS 59 HE3 LYS 59 -9.745 -9.919 4.200 322 HZ1 LYS 59 HZ1 LYS 59 -11.290 -11.727 4.643 323 HZ2 LYS 59 HZ2 LYS 59 -10.008 -12.817 4.790 324 HZ3 LYS 59 HZ3 LYS 59 -10.318 -12.072 3.307 325 H SER 60 H SER 60 -3.204 -9.100 2.337 326 HA SER 60 HA SER 60 -1.366 -11.421 2.191 327 HB2 SER 60 HB2 SER 60 -1.137 -8.667 0.889 328 HB3 SER 60 HB3 SER 60 0.038 -9.974 0.730 329 HG SER 60 HG SER 60 -2.626 -10.515 0.080 330 H HIS 61 H HIS 61 0.594 -11.309 3.284 331 HA HIS 61 HA HIS 61 0.623 -9.948 5.766 332 HB2 HIS 61 HB2 HIS 61 1.669 -12.203 5.235 333 HB3 HIS 61 HB3 HIS 61 2.949 -11.353 4.382 334 HD1 HIS 61 HD1 HIS 61 1.553 -11.856 7.857 335 HD2 HIS 61 HD2 HIS 61 4.973 -10.381 6.019 336 HE1 HIS 61 HE1 HIS 61 3.207 -11.491 9.706 337 HE2 HIS 61 HE2 HIS 61 5.225 -10.490 8.587 338 H THR 62 H THR 62 1.815 -8.124 6.459 339 HA THR 62 HA THR 62 1.990 -6.035 4.611 340 HB THR 62 HB THR 62 3.148 -4.748 6.505 341 HG1 THR 62 HG1 THR 62 2.526 -6.541 8.430 342 HG21 THR 62 HG21 THR 62 1.145 -4.595 7.876 343 HG22 THR 62 HG22 THR 62 0.557 -6.143 7.262 344 HG23 THR 62 HG23 THR 62 0.673 -4.750 6.183 345 H ASP 63 H ASP 63 4.628 -7.942 6.068 346 HA ASP 63 HA ASP 63 6.845 -6.584 5.010 347 HB2 ASP 63 HB2 ASP 63 7.022 -8.313 6.758 348 HB3 ASP 63 HB3 ASP 63 6.503 -9.550 5.626 349 H GLN 64 H GLN 64 4.609 -8.798 3.487 350 HA GLN 64 HA GLN 64 6.311 -9.375 1.186 351 HB2 GLN 64 HB2 GLN 64 3.461 -10.256 1.791 352 HB3 GLN 64 HB3 GLN 64 4.475 -10.870 0.482 353 HG2 GLN 64 HG2 GLN 64 6.075 -11.744 2.167 354 HG3 GLN 64 HG3 GLN 64 5.012 -11.168 3.452 355 HE21 GLN 64 HE21 GLN 64 3.967 -12.741 0.442 356 HE22 GLN 64 HE22 GLN 64 3.329 -14.148 1.209 357 H LEU 65 H LEU 65 4.395 -6.764 1.965 358 HA LEU 65 HA LEU 65 3.935 -6.190 -0.893 359 HB2 LEU 65 HB2 LEU 65 1.773 -5.092 -0.333 360 HB3 LEU 65 HB3 LEU 65 1.783 -6.820 -0.086 361 HG LEU 65 HG LEU 65 2.213 -6.173 2.463 362 HD11 LEU 65 HD11 LEU 65 1.100 -4.109 3.164 363 HD12 LEU 65 HD12 LEU 65 0.853 -3.646 1.479 364 HD13 LEU 65 HD13 LEU 65 2.486 -3.760 2.136 365 HD21 LEU 65 HD21 LEU 65 -0.218 -6.188 2.873 366 HD22 LEU 65 HD22 LEU 65 0.257 -7.395 1.682 367 HD23 LEU 65 HD23 LEU 65 -0.509 -5.894 1.154 368 H VAL 66 H VAL 66 4.609 -4.295 -1.573 369 HA VAL 66 HA VAL 66 5.329 -2.139 0.316 370 HB VAL 66 HB VAL 66 7.408 -1.695 -1.097 371 HG11 VAL 66 HG11 VAL 66 8.808 -3.414 0.002 372 HG12 VAL 66 HG12 VAL 66 7.364 -4.350 0.390 373 HG13 VAL 66 HG13 VAL 66 7.603 -2.759 1.114 374 HG21 VAL 66 HG21 VAL 66 8.344 -3.545 -2.473 375 HG22 VAL 66 HG22 VAL 66 6.798 -2.996 -3.118 376 HG23 VAL 66 HG23 VAL 66 6.879 -4.497 -2.197 377 H LEU 67 H LEU 67 4.664 -0.182 -0.356 378 HA LEU 67 HA LEU 67 3.148 0.055 -2.838 379 HB2 LEU 67 HB2 LEU 67 3.751 2.132 -0.687 380 HB3 LEU 67 HB3 LEU 67 2.691 2.377 -2.065 381 HG LEU 67 HG LEU 67 1.266 0.431 -1.098 382 HD11 LEU 67 HD11 LEU 67 2.868 -0.455 0.527 383 HD12 LEU 67 HD12 LEU 67 1.403 0.092 1.338 384 HD13 LEU 67 HD13 LEU 67 2.863 1.080 1.399 385 HD21 LEU 67 HD21 LEU 67 0.521 2.751 -1.100 386 HD22 LEU 67 HD22 LEU 67 1.427 3.074 0.383 387 HD23 LEU 67 HD23 LEU 67 0.057 1.961 0.406 388 H ILE 68 H ILE 68 3.677 1.617 -4.479 389 HA ILE 68 HA ILE 68 6.360 2.844 -4.361 390 HB ILE 68 HB ILE 68 5.206 1.464 -6.848 391 HG12 ILE 68 HG12 ILE 68 7.564 0.284 -6.728 392 HG13 ILE 68 HG13 ILE 68 7.579 0.803 -5.054 393 HG21 ILE 68 HG21 ILE 68 7.727 3.164 -6.617 394 HG22 ILE 68 HG22 ILE 68 6.267 3.566 -7.521 395 HG23 ILE 68 HG23 ILE 68 7.272 2.213 -8.036 396 HD11 ILE 68 HD11 ILE 68 5.540 -1.007 -6.329 397 HD12 ILE 68 HD12 ILE 68 5.563 -0.509 -4.639 398 HD13 ILE 68 HD13 ILE 68 6.869 -1.500 -5.282 399 H PHE 69 H PHE 69 6.376 4.907 -4.888 400 HA PHE 69 HA PHE 69 4.639 6.194 -6.728 401 HB2 PHE 69 HB2 PHE 69 3.209 5.936 -4.534 402 HB3 PHE 69 HB3 PHE 69 4.242 7.194 -3.874 403 HD1 PHE 69 HD1 PHE 69 4.194 9.521 -4.967 404 HD2 PHE 69 HD2 PHE 69 1.412 6.445 -6.044 405 HE1 PHE 69 HE1 PHE 69 2.692 11.204 -5.943 406 HE2 PHE 69 HE2 PHE 69 -0.079 8.149 -7.016 407 HZ PHE 69 HZ PHE 69 0.559 10.528 -6.973 408 H ALA 70 H ALA 70 5.352 8.334 -7.144 409 HA ALA 70 HA ALA 70 6.850 9.997 -7.453 410 HB1 ALA 70 HB1 ALA 70 6.472 10.487 -5.054 411 HB2 ALA 70 HB2 ALA 70 8.122 10.875 -5.541 412 HB3 ALA 70 HB3 ALA 70 7.797 9.402 -4.625 413 H GLY 71 H GLY 71 7.519 7.039 -7.840 414 HA2 GLY 71 HA2 GLY 71 9.136 6.158 -9.253 415 HA3 GLY 71 HA3 GLY 71 10.222 7.466 -8.827 416 H LYS 72 H LYS 72 8.837 5.924 -6.045 417 HA LYS 72 HA LYS 72 10.987 3.941 -5.817 418 HB2 LYS 72 HB2 LYS 72 11.958 4.883 -3.777 419 HB3 LYS 72 HB3 LYS 72 12.062 6.041 -5.089 420 HG2 LYS 72 HG2 LYS 72 11.378 7.497 -3.457 421 HG3 LYS 72 HG3 LYS 72 9.780 6.952 -3.959 422 HD2 LYS 72 HD2 LYS 72 9.962 6.970 -1.498 423 HD3 LYS 72 HD3 LYS 72 9.748 5.322 -2.090 424 HE2 LYS 72 HE2 LYS 72 12.146 4.881 -1.828 425 HE3 LYS 72 HE3 LYS 72 12.419 6.545 -1.306 426 HZ1 LYS 72 HZ1 LYS 72 12.279 4.899 0.523 427 HZ2 LYS 72 HZ2 LYS 72 10.669 4.623 0.118 428 HZ3 LYS 72 HZ3 LYS 72 11.144 6.145 0.660 429 H ILE 73 H ILE 73 10.815 2.553 -3.998 430 HA ILE 73 HA ILE 73 8.177 1.794 -3.289 431 HB ILE 73 HB ILE 73 9.105 0.048 -1.835 432 HG12 ILE 73 HG12 ILE 73 11.101 1.253 -0.879 433 HG13 ILE 73 HG13 ILE 73 11.486 -0.357 -1.463 434 HG21 ILE 73 HG21 ILE 73 10.336 -1.261 -3.540 435 HG22 ILE 73 HG22 ILE 73 10.517 0.202 -4.509 436 HG23 ILE 73 HG23 ILE 73 8.910 -0.452 -4.194 437 HD11 ILE 73 HD11 ILE 73 12.129 2.243 -2.851 438 HD12 ILE 73 HD12 ILE 73 12.496 0.632 -3.477 439 HD13 ILE 73 HD13 ILE 73 13.254 1.195 -1.989 440 H LEU 74 H LEU 74 6.943 2.829 -1.922 441 HA LEU 74 HA LEU 74 7.761 4.448 0.273 442 HB2 LEU 74 HB2 LEU 74 5.014 3.217 -0.130 443 HB3 LEU 74 HB3 LEU 74 5.422 4.652 0.797 444 HG LEU 74 HG LEU 74 5.455 4.377 -2.227 445 HD11 LEU 74 HD11 LEU 74 3.216 4.607 -1.305 446 HD12 LEU 74 HD12 LEU 74 3.676 6.080 -2.156 447 HD13 LEU 74 HD13 LEU 74 3.710 6.037 -0.393 448 HD21 LEU 74 HD21 LEU 74 6.298 6.776 -0.554 449 HD22 LEU 74 HD22 LEU 74 6.061 6.784 -2.302 450 HD23 LEU 74 HD23 LEU 74 7.343 5.803 -1.597 451 H LYS 75 H LYS 75 8.220 3.836 2.275 452 HA LYS 75 HA LYS 75 7.619 1.131 3.280 453 HB2 LYS 75 HB2 LYS 75 10.267 2.631 3.549 454 HB3 LYS 75 HB3 LYS 75 9.899 1.084 4.302 455 HG2 LYS 75 HG2 LYS 75 10.105 1.607 1.316 456 HG3 LYS 75 HG3 LYS 75 11.321 0.808 2.316 457 HD2 LYS 75 HD2 LYS 75 8.499 -0.231 1.793 458 HD3 LYS 75 HD3 LYS 75 9.968 -0.822 1.016 459 HE2 LYS 75 HE2 LYS 75 9.338 -1.003 3.989 460 HE3 LYS 75 HE3 LYS 75 9.261 -2.334 2.835 461 HZ1 LYS 75 HZ1 LYS 75 11.300 -2.391 4.098 462 HZ2 LYS 75 HZ2 LYS 75 11.697 -0.831 3.603 463 HZ3 LYS 75 HZ3 LYS 75 11.647 -2.079 2.470 464 H ASP 76 H ASP 76 8.615 1.289 5.756 465 HA ASP 76 HA ASP 76 6.772 2.714 7.284 466 HB2 ASP 76 HB2 ASP 76 8.048 1.966 9.224 467 HB3 ASP 76 HB3 ASP 76 7.945 0.671 8.039 468 H GLN 77 H GLN 77 9.928 3.640 6.148 469 HA GLN 77 HA GLN 77 10.310 5.906 7.881 470 HB2 GLN 77 HB2 GLN 77 12.238 6.404 6.409 471 HB3 GLN 77 HB3 GLN 77 12.233 4.722 6.926 472 HG2 GLN 77 HG2 GLN 77 11.400 4.000 4.755 473 HG3 GLN 77 HG3 GLN 77 11.215 5.671 4.229 474 HE21 GLN 77 HE21 GLN 77 13.086 6.874 3.740 475 HE22 GLN 77 HE22 GLN 77 14.597 6.110 3.385 476 H ASP 78 H ASP 78 8.389 5.387 5.122 477 HA ASP 78 HA ASP 78 8.407 8.221 4.267 478 HB2 ASP 78 HB2 ASP 78 7.258 5.771 2.839 479 HB3 ASP 78 HB3 ASP 78 7.331 7.407 2.189 480 H THR 79 H THR 79 6.435 9.332 4.048 481 HA THR 79 HA THR 79 3.946 8.028 5.028 482 HB THR 79 HB THR 79 3.104 10.302 5.592 483 HG1 THR 79 HG1 THR 79 5.736 11.204 4.977 484 HG21 THR 79 HG21 THR 79 5.802 9.777 6.897 485 HG22 THR 79 HG22 THR 79 4.260 9.083 7.402 486 HG23 THR 79 HG23 THR 79 4.526 10.820 7.535 487 H LEU 80 H LEU 80 2.109 8.336 3.702 488 HA LEU 80 HA LEU 80 2.717 8.268 0.948 489 HB2 LEU 80 HB2 LEU 80 0.205 8.085 0.633 490 HB3 LEU 80 HB3 LEU 80 0.977 6.876 1.633 491 HG LEU 80 HG LEU 80 0.146 8.352 3.658 492 HD11 LEU 80 HD11 LEU 80 -1.784 9.311 1.524 493 HD12 LEU 80 HD12 LEU 80 -0.643 10.300 2.435 494 HD13 LEU 80 HD13 LEU 80 -1.988 9.529 3.266 495 HD21 LEU 80 HD21 LEU 80 -1.972 7.115 3.745 496 HD22 LEU 80 HD22 LEU 80 -0.643 6.084 3.216 497 HD23 LEU 80 HD23 LEU 80 -1.806 6.695 2.037 498 H SER 81 H SER 81 1.237 10.823 2.925 499 HA SER 81 HA SER 81 0.410 12.490 0.782 500 HB2 SER 81 HB2 SER 81 -0.551 12.605 3.080 501 HB3 SER 81 HB3 SER 81 0.970 13.273 3.675 502 HG SER 81 HG SER 81 -0.524 14.929 3.213 503 H GLN 82 H GLN 82 3.426 12.211 2.576 504 HA GLN 82 HA GLN 82 4.612 14.668 1.733 505 HB2 GLN 82 HB2 GLN 82 5.325 13.376 3.753 506 HB3 GLN 82 HB3 GLN 82 5.996 12.138 2.706 507 HG2 GLN 82 HG2 GLN 82 7.802 13.492 3.508 508 HG3 GLN 82 HG3 GLN 82 7.595 13.846 1.797 509 HE21 GLN 82 HE21 GLN 82 8.904 15.458 3.817 510 HE22 GLN 82 HE22 GLN 82 8.083 16.979 3.864 511 H HIS 83 H HIS 83 4.220 11.574 0.196 512 HA HIS 83 HA HIS 83 6.143 12.211 -1.950 513 HB2 HIS 83 HB2 HIS 83 4.547 9.702 -1.314 514 HB3 HIS 83 HB3 HIS 83 5.452 9.891 -2.817 515 HD1 HIS 83 HD1 HIS 83 7.967 9.595 -2.730 516 HD2 HIS 83 HD2 HIS 83 6.210 9.578 1.032 517 HE1 HIS 83 HE1 HIS 83 9.776 8.929 -1.138 518 HE2 HIS 83 HE2 HIS 83 8.726 9.078 1.133 519 H GLY 84 H GLY 84 3.213 13.290 -1.301 520 HA2 GLY 84 HA2 GLY 84 2.141 14.780 -2.751 521 HA3 GLY 84 HA3 GLY 84 2.734 13.879 -4.135 522 H ILE 85 H ILE 85 1.383 11.800 -1.788 523 HA ILE 85 HA ILE 85 -0.856 11.216 -3.564 524 HB ILE 85 HB ILE 85 -0.148 9.886 -0.902 525 HG12 ILE 85 HG12 ILE 85 0.614 8.955 -3.719 526 HG13 ILE 85 HG13 ILE 85 1.717 9.786 -2.631 527 HG21 ILE 85 HG21 ILE 85 -1.901 8.930 -3.214 528 HG22 ILE 85 HG22 ILE 85 -2.475 9.442 -1.626 529 HG23 ILE 85 HG23 ILE 85 -1.502 7.981 -1.781 530 HD11 ILE 85 HD11 ILE 85 0.423 7.137 -2.032 531 HD12 ILE 85 HD12 ILE 85 1.675 7.961 -1.099 532 HD13 ILE 85 HD13 ILE 85 2.031 7.360 -2.716 533 H HIS 86 H HIS 86 -2.765 12.153 -3.335 534 HA HIS 86 HA HIS 86 -3.807 12.951 -0.694 535 HB2 HIS 86 HB2 HIS 86 -3.887 14.699 -3.207 536 HB3 HIS 86 HB3 HIS 86 -4.650 15.086 -1.667 537 HD1 HIS 86 HD1 HIS 86 -1.518 15.491 -3.506 538 HD2 HIS 86 HD2 HIS 86 -2.682 15.511 0.478 539 HE1 HIS 86 HE1 HIS 86 0.389 16.515 -2.253 540 HE2 HIS 86 HE2 HIS 86 -0.299 16.433 0.163 541 H ASP 87 H ASP 87 -6.274 13.668 -1.134 542 HA ASP 87 HA ASP 87 -7.590 11.269 -1.770 543 HB2 ASP 87 HB2 ASP 87 -9.705 12.443 -1.380 544 HB3 ASP 87 HB3 ASP 87 -8.527 12.878 -0.155 545 H GLY 88 H GLY 88 -8.289 10.418 -3.629 546 HA2 GLY 88 HA2 GLY 88 -9.400 10.556 -5.761 547 HA3 GLY 88 HA3 GLY 88 -8.669 12.125 -6.039 548 H LEU 89 H LEU 89 -6.084 10.745 -4.880 549 HA LEU 89 HA LEU 89 -5.097 9.812 -7.487 550 HB2 LEU 89 HB2 LEU 89 -3.595 10.333 -4.888 551 HB3 LEU 89 HB3 LEU 89 -2.854 9.876 -6.416 552 HG LEU 89 HG LEU 89 -4.258 12.506 -5.789 553 HD11 LEU 89 HD11 LEU 89 -1.385 11.886 -6.531 554 HD12 LEU 89 HD12 LEU 89 -1.974 12.360 -4.936 555 HD13 LEU 89 HD13 LEU 89 -2.059 13.499 -6.276 556 HD21 LEU 89 HD21 LEU 89 -3.698 13.208 -8.108 557 HD22 LEU 89 HD22 LEU 89 -4.868 11.892 -8.082 558 HD23 LEU 89 HD23 LEU 89 -3.179 11.559 -8.473 559 H THR 90 H THR 90 -3.496 7.943 -7.398 560 HA THR 90 HA THR 90 -4.390 5.729 -5.663 561 HB THR 90 HB THR 90 -4.012 5.500 -8.690 562 HG1 THR 90 HG1 THR 90 -6.129 6.384 -7.306 563 HG21 THR 90 HG21 THR 90 -4.991 3.248 -8.430 564 HG22 THR 90 HG22 THR 90 -5.110 3.482 -6.687 565 HG23 THR 90 HG23 THR 90 -3.525 3.389 -7.456 566 H VAL 91 H VAL 91 -2.794 4.302 -5.125 567 HA VAL 91 HA VAL 91 0.006 4.878 -5.890 568 HB VAL 91 HB VAL 91 -0.854 3.153 -3.520 569 HG11 VAL 91 HG11 VAL 91 1.648 4.811 -4.024 570 HG12 VAL 91 HG12 VAL 91 1.515 3.054 -4.116 571 HG13 VAL 91 HG13 VAL 91 1.321 3.869 -2.566 572 HG21 VAL 91 HG21 VAL 91 -0.761 5.128 -2.036 573 HG22 VAL 91 HG22 VAL 91 -2.065 5.254 -3.219 574 HG23 VAL 91 HG23 VAL 91 -0.579 6.177 -3.447 575 H HIS 92 H HIS 92 1.375 3.059 -6.417 576 HA HIS 92 HA HIS 92 -0.100 0.643 -7.344 577 HB2 HIS 92 HB2 HIS 92 2.625 1.730 -8.187 578 HB3 HIS 92 HB3 HIS 92 1.937 0.213 -8.760 579 HD1 HIS 92 HD1 HIS 92 0.294 0.338 -10.685 580 HD2 HIS 92 HD2 HIS 92 1.220 4.073 -9.134 581 HE1 HIS 92 HE1 HIS 92 -0.737 1.993 -12.261 582 HE2 HIS 92 HE2 HIS 92 -0.279 4.237 -11.221 583 H LEU 93 H LEU 93 -0.126 -0.830 -5.791 584 HA LEU 93 HA LEU 93 2.149 -1.291 -3.998 585 HB2 LEU 93 HB2 LEU 93 -0.127 -1.170 -3.052 586 HB3 LEU 93 HB3 LEU 93 -0.644 -2.476 -4.101 587 HG LEU 93 HG LEU 93 1.115 -3.941 -2.877 588 HD11 LEU 93 HD11 LEU 93 0.950 -1.728 -0.825 589 HD12 LEU 93 HD12 LEU 93 2.354 -2.120 -1.817 590 HD13 LEU 93 HD13 LEU 93 1.762 -3.287 -0.646 591 HD21 LEU 93 HD21 LEU 93 -1.235 -4.296 -2.531 592 HD22 LEU 93 HD22 LEU 93 -1.330 -2.954 -1.390 593 HD23 LEU 93 HD23 LEU 93 -0.409 -4.406 -0.980 594 H VAL 94 H VAL 94 3.499 -2.966 -4.246 595 HA VAL 94 HA VAL 94 2.922 -5.088 -6.231 596 HB VAL 94 HB VAL 94 5.605 -3.958 -5.283 597 HG11 VAL 94 HG11 VAL 94 5.884 -6.379 -5.540 598 HG12 VAL 94 HG12 VAL 94 6.694 -5.545 -6.863 599 HG13 VAL 94 HG13 VAL 94 5.137 -6.330 -7.139 600 HG21 VAL 94 HG21 VAL 94 5.907 -3.319 -7.645 601 HG22 VAL 94 HG22 VAL 94 4.440 -2.595 -6.989 602 HG23 VAL 94 HG23 VAL 94 4.329 -3.999 -8.053 603 H ILE 95 H ILE 95 2.220 -6.835 -5.272 604 HA ILE 95 HA ILE 95 3.057 -7.583 -2.546 605 HB ILE 95 HB ILE 95 0.787 -8.727 -4.259 606 HG12 ILE 95 HG12 ILE 95 0.694 -6.603 -2.044 607 HG13 ILE 95 HG13 ILE 95 0.318 -6.355 -3.745 608 HG21 ILE 95 HG21 ILE 95 -0.029 -9.731 -2.152 609 HG22 ILE 95 HG22 ILE 95 1.360 -9.076 -1.280 610 HG23 ILE 95 HG23 ILE 95 1.597 -10.299 -2.531 611 HD11 ILE 95 HD11 ILE 95 -1.264 -8.014 -1.785 612 HD12 ILE 95 HD12 ILE 95 -1.641 -7.836 -3.501 613 HD13 ILE 95 HD13 ILE 95 -1.697 -6.433 -2.435 614 H LYS 96 H LYS 96 4.023 -9.544 -2.142 615 HA LYS 96 HA LYS 96 5.430 -10.803 -4.395 616 HB2 LYS 96 HB2 LYS 96 6.008 -10.570 -1.421 617 HB3 LYS 96 HB3 LYS 96 6.823 -11.794 -2.383 618 HG2 LYS 96 HG2 LYS 96 8.242 -9.833 -2.119 619 HG3 LYS 96 HG3 LYS 96 7.811 -10.058 -3.815 620 HD2 LYS 96 HD2 LYS 96 6.097 -8.262 -3.600 621 HD3 LYS 96 HD3 LYS 96 6.554 -8.043 -1.909 622 HE2 LYS 96 HE2 LYS 96 7.567 -6.341 -3.412 623 HE3 LYS 96 HE3 LYS 96 8.775 -7.301 -2.556 624 HZ1 LYS 96 HZ1 LYS 96 9.295 -6.963 -4.904 625 HZ2 LYS 96 HZ2 LYS 96 7.893 -7.797 -5.343 626 HZ3 LYS 96 HZ3 LYS 96 9.132 -8.599 -4.516 627 H THR 97 H THR 97 2.590 -11.462 -3.566 628 HA THR 97 HA THR 97 2.880 -14.343 -3.746 629 HB THR 97 HB THR 97 2.839 -14.226 -1.360 630 HG1 THR 97 HG1 THR 97 1.433 -15.791 -2.307 631 HG21 THR 97 HG21 THR 97 1.979 -11.934 -1.013 632 HG22 THR 97 HG22 THR 97 1.113 -13.109 -0.022 633 HG23 THR 97 HG23 THR 97 0.362 -12.473 -1.484 634 H GLN 98 H GLN 98 1.969 -14.376 -5.706 635 HA GLN 98 HA GLN 98 -0.346 -12.926 -6.549 636 HB2 GLN 98 HB2 GLN 98 -0.212 -14.308 -8.601 637 HB3 GLN 98 HB3 GLN 98 1.362 -13.664 -8.156 638 HG2 GLN 98 HG2 GLN 98 2.048 -15.826 -7.259 639 HG3 GLN 98 HG3 GLN 98 0.450 -16.500 -7.564 640 HE21 GLN 98 HE21 GLN 98 3.070 -17.384 -8.545 641 HE22 GLN 98 HE22 GLN 98 2.946 -17.392 -10.266 642 H ASN 99 H ASN 99 0.153 -16.106 -5.138 643 HA ASN 99 HA ASN 99 -2.442 -17.187 -5.826 644 HB2 ASN 99 HB2 ASN 99 -1.720 -19.135 -4.418 645 HB3 ASN 99 HB3 ASN 99 -0.569 -18.709 -5.679 646 HD21 ASN 99 HD21 ASN 99 1.109 -19.771 -4.592 647 HD22 ASN 99 HD22 ASN 99 1.843 -19.129 -3.165 648 H ARG 100 H ARG 100 -1.603 -14.909 -3.586 649 HA ARG 100 HA ARG 100 -3.687 -15.665 -1.631 650 HB2 ARG 100 HB2 ARG 100 -1.489 -15.184 -0.665 651 HB3 ARG 100 HB3 ARG 100 -1.411 -13.645 -1.504 652 HG2 ARG 100 HG2 ARG 100 -1.871 -13.346 0.882 653 HG3 ARG 100 HG3 ARG 100 -3.204 -12.747 -0.102 654 HD2 ARG 100 HD2 ARG 100 -3.311 -15.540 1.050 655 HD3 ARG 100 HD3 ARG 100 -3.695 -14.147 2.059 656 HE ARG 100 HE ARG 100 -5.304 -13.676 -0.001 657 HH11 ARG 100 HH11 ARG 100 -4.743 -16.715 1.675 658 HH12 ARG 100 HH12 ARG 100 -6.369 -17.271 1.466 659 HH21 ARG 100 HH21 ARG 100 -7.425 -14.436 -0.279 660 HH22 ARG 100 HH22 ARG 100 -7.876 -15.989 0.346 661 HA PRO 101 HA PRO 101 -5.925 -12.176 -3.629 662 HB2 PRO 101 HB2 PRO 101 -8.289 -13.426 -4.116 663 HB3 PRO 101 HB3 PRO 101 -6.905 -13.602 -5.201 664 HG2 PRO 101 HG2 PRO 101 -8.054 -15.562 -3.282 665 HG3 PRO 101 HG3 PRO 101 -7.108 -15.847 -4.756 666 HD2 PRO 101 HD2 PRO 101 -6.154 -15.829 -2.020 667 HD3 PRO 101 HD3 PRO 101 -5.212 -16.098 -3.497 Start of MODEL 7 1 HA PRO 23 HA PRO 23 -12.341 19.585 7.524 2 HB2 PRO 23 HB2 PRO 23 -9.861 18.143 7.788 3 HB3 PRO 23 HB3 PRO 23 -10.104 19.890 7.915 4 HG2 PRO 23 HG2 PRO 23 -9.420 18.203 10.047 5 HG3 PRO 23 HG3 PRO 23 -10.074 19.843 10.202 6 HD2 PRO 23 HD2 PRO 23 -11.517 17.201 10.401 7 HD3 PRO 23 HD3 PRO 23 -11.745 18.684 11.349 8 H LYS 24 H LYS 24 -11.855 18.314 5.572 9 HA LYS 24 HA LYS 24 -12.807 15.592 5.539 10 HB2 LYS 24 HB2 LYS 24 -12.958 17.120 3.506 11 HB3 LYS 24 HB3 LYS 24 -11.205 17.025 3.360 12 HG2 LYS 24 HG2 LYS 24 -11.611 14.414 3.293 13 HG3 LYS 24 HG3 LYS 24 -13.266 14.856 2.886 14 HD2 LYS 24 HD2 LYS 24 -10.767 15.619 1.334 15 HD3 LYS 24 HD3 LYS 24 -11.938 14.378 0.877 16 HE2 LYS 24 HE2 LYS 24 -13.678 16.114 0.654 17 HE3 LYS 24 HE3 LYS 24 -12.506 17.352 1.112 18 HZ1 LYS 24 HZ1 LYS 24 -11.182 16.682 -0.843 19 HZ2 LYS 24 HZ2 LYS 24 -12.703 17.303 -1.250 20 HZ3 LYS 24 HZ3 LYS 24 -12.430 15.637 -1.305 21 H ILE 25 H ILE 25 -11.572 13.756 5.444 22 HA ILE 25 HA ILE 25 -8.788 13.868 6.331 23 HB ILE 25 HB ILE 25 -10.596 12.295 7.261 24 HG12 ILE 25 HG12 ILE 25 -8.077 10.889 6.285 25 HG13 ILE 25 HG13 ILE 25 -8.095 12.040 7.616 26 HG21 ILE 25 HG21 ILE 25 -11.573 11.568 5.117 27 HG22 ILE 25 HG22 ILE 25 -11.036 10.194 6.083 28 HG23 ILE 25 HG23 ILE 25 -10.066 10.734 4.711 29 HD11 ILE 25 HD11 ILE 25 -8.095 9.789 8.432 30 HD12 ILE 25 HD12 ILE 25 -9.560 9.414 7.526 31 HD13 ILE 25 HD13 ILE 25 -9.611 10.583 8.850 32 H MET 26 H MET 26 -7.123 12.539 5.044 33 HA MET 26 HA MET 26 -7.287 13.436 2.285 34 HB2 MET 26 HB2 MET 26 -5.043 12.022 3.786 35 HB3 MET 26 HB3 MET 26 -4.924 12.549 2.108 36 HG2 MET 26 HG2 MET 26 -5.328 14.331 4.517 37 HG3 MET 26 HG3 MET 26 -3.850 14.157 3.562 38 HE1 MET 26 HE1 MET 26 -5.025 17.008 4.136 39 HE2 MET 26 HE2 MET 26 -5.028 17.760 2.541 40 HE3 MET 26 HE3 MET 26 -3.649 16.787 3.051 41 H LYS 27 H LYS 27 -8.481 12.266 0.966 42 HA LYS 27 HA LYS 27 -8.707 9.376 1.142 43 HB2 LYS 27 HB2 LYS 27 -9.839 11.169 -1.045 44 HB3 LYS 27 HB3 LYS 27 -10.382 9.559 -0.586 45 HG2 LYS 27 HG2 LYS 27 -10.699 12.113 1.026 46 HG3 LYS 27 HG3 LYS 27 -11.975 11.236 0.180 47 HD2 LYS 27 HD2 LYS 27 -10.383 10.190 2.554 48 HD3 LYS 27 HD3 LYS 27 -12.017 10.851 2.624 49 HE2 LYS 27 HE2 LYS 27 -11.199 8.355 1.091 50 HE3 LYS 27 HE3 LYS 27 -12.020 8.375 2.651 51 HZ1 LYS 27 HZ1 LYS 27 -13.558 8.017 0.833 52 HZ2 LYS 27 HZ2 LYS 27 -13.106 9.479 0.119 53 HZ3 LYS 27 HZ3 LYS 27 -13.893 9.478 1.614 54 H VAL 28 H VAL 28 -6.696 8.617 0.701 55 HA VAL 28 HA VAL 28 -5.229 9.446 -1.703 56 HB VAL 28 HB VAL 28 -4.377 7.557 0.551 57 HG11 VAL 28 HG11 VAL 28 -2.083 7.884 -0.298 58 HG12 VAL 28 HG12 VAL 28 -2.706 8.858 -1.633 59 HG13 VAL 28 HG13 VAL 28 -3.127 7.148 -1.514 60 HG21 VAL 28 HG21 VAL 28 -3.086 9.452 1.447 61 HG22 VAL 28 HG22 VAL 28 -4.809 9.813 1.415 62 HG23 VAL 28 HG23 VAL 28 -3.739 10.513 0.194 63 H THR 29 H THR 29 -5.590 8.331 -3.531 64 HA THR 29 HA THR 29 -6.556 5.581 -3.501 65 HB THR 29 HB THR 29 -5.748 7.341 -5.871 66 HG1 THR 29 HG1 THR 29 -7.689 7.763 -4.333 67 HG21 THR 29 HG21 THR 29 -7.066 5.731 -7.226 68 HG22 THR 29 HG22 THR 29 -7.335 4.734 -5.795 69 HG23 THR 29 HG23 THR 29 -5.705 4.924 -6.447 70 H VAL 30 H VAL 30 -5.336 3.847 -3.924 71 HA VAL 30 HA VAL 30 -2.460 4.105 -4.487 72 HB VAL 30 HB VAL 30 -3.882 2.274 -2.490 73 HG11 VAL 30 HG11 VAL 30 -2.277 0.901 -3.700 74 HG12 VAL 30 HG12 VAL 30 -1.710 1.191 -2.058 75 HG13 VAL 30 HG13 VAL 30 -0.997 2.081 -3.409 76 HG21 VAL 30 HG21 VAL 30 -1.627 4.294 -2.116 77 HG22 VAL 30 HG22 VAL 30 -2.323 3.279 -0.847 78 HG23 VAL 30 HG23 VAL 30 -3.313 4.506 -1.633 79 H LYS 31 H LYS 31 -1.986 3.170 -6.315 80 HA LYS 31 HA LYS 31 -3.765 1.265 -7.649 81 HB2 LYS 31 HB2 LYS 31 -2.880 3.351 -8.832 82 HB3 LYS 31 HB3 LYS 31 -1.258 2.687 -8.706 83 HG2 LYS 31 HG2 LYS 31 -3.474 1.191 -10.132 84 HG3 LYS 31 HG3 LYS 31 -2.548 2.444 -10.953 85 HD2 LYS 31 HD2 LYS 31 -0.484 1.177 -10.692 86 HD3 LYS 31 HD3 LYS 31 -1.287 -0.006 -9.659 87 HE2 LYS 31 HE2 LYS 31 -1.890 0.454 -12.600 88 HE3 LYS 31 HE3 LYS 31 -0.948 -0.882 -11.934 89 HZ1 LYS 31 HZ1 LYS 31 -3.197 -1.569 -12.369 90 HZ2 LYS 31 HZ2 LYS 31 -3.814 -0.335 -11.398 91 HZ3 LYS 31 HZ3 LYS 31 -2.917 -1.585 -10.706 92 H THR 32 H THR 32 -3.343 -0.800 -7.308 93 HA THR 32 HA THR 32 -0.566 -1.781 -6.918 94 HB THR 32 HB THR 32 -1.439 -3.598 -5.579 95 HG1 THR 32 HG1 THR 32 -4.115 -2.751 -5.862 96 HG21 THR 32 HG21 THR 32 -2.990 -1.114 -4.772 97 HG22 THR 32 HG22 THR 32 -1.316 -1.460 -4.340 98 HG23 THR 32 HG23 THR 32 -2.611 -2.490 -3.726 99 HA PRO 33 HA PRO 33 -1.139 -4.219 -10.680 100 HB2 PRO 33 HB2 PRO 33 -0.048 -6.671 -9.965 101 HB3 PRO 33 HB3 PRO 33 0.902 -5.249 -10.413 102 HG2 PRO 33 HG2 PRO 33 0.195 -6.246 -7.657 103 HG3 PRO 33 HG3 PRO 33 1.765 -5.683 -8.278 104 HD2 PRO 33 HD2 PRO 33 0.218 -4.062 -6.803 105 HD3 PRO 33 HD3 PRO 33 1.139 -3.425 -8.182 106 H LYS 34 H LYS 34 -2.563 -5.117 -7.686 107 HA LYS 34 HA LYS 34 -4.254 -7.282 -8.579 108 HB2 LYS 34 HB2 LYS 34 -4.344 -5.520 -6.074 109 HB3 LYS 34 HB3 LYS 34 -5.449 -6.855 -6.359 110 HG2 LYS 34 HG2 LYS 34 -3.729 -7.517 -4.787 111 HG3 LYS 34 HG3 LYS 34 -3.566 -8.441 -6.280 112 HD2 LYS 34 HD2 LYS 34 -1.652 -7.121 -6.967 113 HD3 LYS 34 HD3 LYS 34 -1.885 -5.995 -5.628 114 HE2 LYS 34 HE2 LYS 34 -0.022 -7.747 -5.390 115 HE3 LYS 34 HE3 LYS 34 -1.126 -7.557 -4.028 116 HZ1 LYS 34 HZ1 LYS 34 -0.622 -9.876 -4.635 117 HZ2 LYS 34 HZ2 LYS 34 -1.428 -9.643 -6.102 118 HZ3 LYS 34 HZ3 LYS 34 -2.271 -9.518 -4.642 119 H GLU 35 H GLU 35 -4.789 -3.925 -7.556 120 HA GLU 35 HA GLU 35 -6.839 -3.251 -9.411 121 HB2 GLU 35 HB2 GLU 35 -8.736 -3.113 -7.789 122 HB3 GLU 35 HB3 GLU 35 -8.208 -4.776 -8.029 123 HG2 GLU 35 HG2 GLU 35 -7.031 -4.776 -5.902 124 HG3 GLU 35 HG3 GLU 35 -7.369 -3.060 -5.667 125 H LYS 36 H LYS 36 -8.058 -1.170 -8.367 126 HA LYS 36 HA LYS 36 -6.070 0.454 -6.879 127 HB2 LYS 36 HB2 LYS 36 -7.262 2.436 -7.697 128 HB3 LYS 36 HB3 LYS 36 -6.743 1.427 -9.040 129 HG2 LYS 36 HG2 LYS 36 -9.050 0.548 -9.277 130 HG3 LYS 36 HG3 LYS 36 -9.575 1.574 -7.939 131 HD2 LYS 36 HD2 LYS 36 -8.425 2.562 -10.578 132 HD3 LYS 36 HD3 LYS 36 -10.135 2.557 -10.147 133 HE2 LYS 36 HE2 LYS 36 -9.773 4.183 -8.401 134 HE3 LYS 36 HE3 LYS 36 -8.020 4.081 -8.587 135 HZ1 LYS 36 HZ1 LYS 36 -9.912 5.087 -10.639 136 HZ2 LYS 36 HZ2 LYS 36 -8.233 5.007 -10.797 137 HZ3 LYS 36 HZ3 LYS 36 -8.923 6.041 -9.658 138 H GLU 37 H GLU 37 -6.728 1.583 -5.049 139 HA GLU 37 HA GLU 37 -9.363 1.100 -3.861 140 HB2 GLU 37 HB2 GLU 37 -7.998 -0.862 -3.170 141 HB3 GLU 37 HB3 GLU 37 -6.754 0.210 -2.547 142 HG2 GLU 37 HG2 GLU 37 -8.046 -0.696 -0.720 143 HG3 GLU 37 HG3 GLU 37 -8.319 1.039 -0.832 144 H GLU 38 H GLU 38 -9.751 2.506 -2.027 145 HA GLU 38 HA GLU 38 -8.028 4.904 -1.957 146 HB2 GLU 38 HB2 GLU 38 -10.233 5.272 -2.993 147 HB3 GLU 38 HB3 GLU 38 -11.034 4.633 -1.561 148 HG2 GLU 38 HG2 GLU 38 -10.269 6.516 -0.228 149 HG3 GLU 38 HG3 GLU 38 -9.300 7.126 -1.574 150 H PHE 39 H PHE 39 -7.478 5.695 -0.015 151 HA PHE 39 HA PHE 39 -8.229 4.281 2.466 152 HB2 PHE 39 HB2 PHE 39 -5.461 5.300 1.661 153 HB3 PHE 39 HB3 PHE 39 -5.872 4.674 3.258 154 HD1 PHE 39 HD1 PHE 39 -6.338 2.266 3.578 155 HD2 PHE 39 HD2 PHE 39 -5.149 3.795 -0.233 156 HE1 PHE 39 HE1 PHE 39 -5.863 -0.019 2.810 157 HE2 PHE 39 HE2 PHE 39 -4.676 1.496 -0.996 158 HZ PHE 39 HZ PHE 39 -5.034 -0.407 0.523 159 H ALA 40 H ALA 40 -7.806 5.658 4.403 160 HA ALA 40 HA ALA 40 -8.204 8.553 3.895 161 HB1 ALA 40 HB1 ALA 40 -10.377 7.511 4.342 162 HB2 ALA 40 HB2 ALA 40 -9.905 8.535 5.698 163 HB3 ALA 40 HB3 ALA 40 -9.753 6.781 5.823 164 H VAL 41 H VAL 41 -6.499 9.561 4.779 165 HA VAL 41 HA VAL 41 -5.453 8.722 7.417 166 HB VAL 41 HB VAL 41 -3.110 9.285 6.653 167 HG11 VAL 41 HG11 VAL 41 -4.422 6.970 5.185 168 HG12 VAL 41 HG12 VAL 41 -3.845 6.951 6.854 169 HG13 VAL 41 HG13 VAL 41 -2.697 7.141 5.529 170 HG21 VAL 41 HG21 VAL 41 -4.312 9.232 3.850 171 HG22 VAL 41 HG22 VAL 41 -2.589 9.285 4.230 172 HG23 VAL 41 HG23 VAL 41 -3.627 10.644 4.661 173 HA PRO 42 HA PRO 42 -6.156 13.081 8.193 174 HB2 PRO 42 HB2 PRO 42 -5.296 13.238 10.740 175 HB3 PRO 42 HB3 PRO 42 -6.685 12.228 10.312 176 HG2 PRO 42 HG2 PRO 42 -3.802 11.394 10.698 177 HG3 PRO 42 HG3 PRO 42 -5.267 10.684 11.417 178 HD2 PRO 42 HD2 PRO 42 -4.087 9.648 9.192 179 HD3 PRO 42 HD3 PRO 42 -5.841 9.565 9.454 180 H GLU 43 H GLU 43 -3.934 12.776 6.532 181 HA GLU 43 HA GLU 43 -2.085 13.743 5.700 182 HB2 GLU 43 HB2 GLU 43 -1.980 16.149 5.794 183 HB3 GLU 43 HB3 GLU 43 -3.675 15.678 5.794 184 HG2 GLU 43 HG2 GLU 43 -3.809 16.108 8.212 185 HG3 GLU 43 HG3 GLU 43 -2.095 16.508 8.249 186 H ASN 44 H ASN 44 -1.760 12.558 8.548 187 HA ASN 44 HA ASN 44 0.912 13.677 9.114 188 HB2 ASN 44 HB2 ASN 44 -0.830 14.678 10.638 189 HB3 ASN 44 HB3 ASN 44 -1.215 13.063 11.221 190 HD21 ASN 44 HD21 ASN 44 -0.656 13.546 13.347 191 HD22 ASN 44 HD22 ASN 44 0.970 13.813 13.857 192 H SER 45 H SER 45 -1.061 10.972 8.577 193 HA SER 45 HA SER 45 0.290 8.984 10.052 194 HB2 SER 45 HB2 SER 45 -1.258 8.711 7.436 195 HB3 SER 45 HB3 SER 45 -0.803 7.382 8.508 196 HG SER 45 HG SER 45 -2.015 8.719 10.150 197 H SER 46 H SER 46 2.232 8.169 9.753 198 HA SER 46 HA SER 46 3.872 8.606 7.439 199 HB2 SER 46 HB2 SER 46 4.338 6.770 9.819 200 HB3 SER 46 HB3 SER 46 5.562 7.382 8.702 201 HG SER 46 HG SER 46 5.732 8.943 10.106 202 H VAL 47 H VAL 47 4.975 6.597 6.421 203 HA VAL 47 HA VAL 47 3.003 4.902 5.269 204 HB VAL 47 HB VAL 47 6.032 4.609 5.222 205 HG11 VAL 47 HG11 VAL 47 3.957 3.239 3.463 206 HG12 VAL 47 HG12 VAL 47 4.986 2.461 4.665 207 HG13 VAL 47 HG13 VAL 47 5.708 3.169 3.222 208 HG21 VAL 47 HG21 VAL 47 4.164 5.881 3.175 209 HG22 VAL 47 HG22 VAL 47 5.909 5.680 3.001 210 HG23 VAL 47 HG23 VAL 47 5.269 6.743 4.251 211 H GLN 48 H GLN 48 5.257 4.481 7.991 212 HA GLN 48 HA GLN 48 4.740 1.824 8.643 213 HB2 GLN 48 HB2 GLN 48 5.280 2.424 11.016 214 HB3 GLN 48 HB3 GLN 48 6.470 2.957 9.846 215 HG2 GLN 48 HG2 GLN 48 5.586 5.242 9.967 216 HG3 GLN 48 HG3 GLN 48 4.384 4.717 11.148 217 HE21 GLN 48 HE21 GLN 48 6.587 6.700 11.365 218 HE22 GLN 48 HE22 GLN 48 7.525 6.199 12.723 219 H GLN 49 H GLN 49 2.671 4.601 9.064 220 HA GLN 49 HA GLN 49 0.723 3.140 10.698 221 HB2 GLN 49 HB2 GLN 49 0.727 6.010 9.653 222 HB3 GLN 49 HB3 GLN 49 -0.467 5.341 10.766 223 HG2 GLN 49 HG2 GLN 49 1.270 5.010 12.466 224 HG3 GLN 49 HG3 GLN 49 2.495 5.617 11.351 225 HE21 GLN 49 HE21 GLN 49 -0.248 6.508 13.351 226 HE22 GLN 49 HE22 GLN 49 0.079 8.205 13.366 227 H PHE 50 H PHE 50 1.349 3.876 7.422 228 HA PHE 50 HA PHE 50 -1.430 3.998 6.530 229 HB2 PHE 50 HB2 PHE 50 0.235 5.616 5.663 230 HB3 PHE 50 HB3 PHE 50 1.189 4.296 5.001 231 HD1 PHE 50 HD1 PHE 50 -2.399 5.430 4.845 232 HD2 PHE 50 HD2 PHE 50 1.013 4.091 2.677 233 HE1 PHE 50 HE1 PHE 50 -3.647 5.653 2.747 234 HE2 PHE 50 HE2 PHE 50 -0.240 4.314 0.569 235 HZ PHE 50 HZ PHE 50 -2.574 5.098 0.607 236 H LYS 51 H LYS 51 1.423 1.905 6.099 237 HA LYS 51 HA LYS 51 0.145 0.130 4.263 238 HB2 LYS 51 HB2 LYS 51 2.182 -0.860 3.957 239 HB3 LYS 51 HB3 LYS 51 2.735 0.649 4.646 240 HG2 LYS 51 HG2 LYS 51 2.511 -2.010 6.075 241 HG3 LYS 51 HG3 LYS 51 3.992 -1.257 5.492 242 HD2 LYS 51 HD2 LYS 51 3.438 0.673 7.139 243 HD3 LYS 51 HD3 LYS 51 2.240 -0.424 7.826 244 HE2 LYS 51 HE2 LYS 51 4.111 -2.110 8.165 245 HE3 LYS 51 HE3 LYS 51 5.242 -0.841 7.683 246 HZ1 LYS 51 HZ1 LYS 51 4.743 0.398 9.568 247 HZ2 LYS 51 HZ2 LYS 51 4.851 -1.183 10.135 248 HZ3 LYS 51 HZ3 LYS 51 3.338 -0.474 9.910 249 H GLU 52 H GLU 52 0.127 0.422 7.657 250 HA GLU 52 HA GLU 52 -0.757 -2.153 8.468 251 HB2 GLU 52 HB2 GLU 52 -1.524 0.583 9.585 252 HB3 GLU 52 HB3 GLU 52 -1.718 -0.954 10.426 253 HG2 GLU 52 HG2 GLU 52 0.953 0.133 9.526 254 HG3 GLU 52 HG3 GLU 52 0.270 0.469 11.111 255 H GLU 53 H GLU 53 -2.446 0.693 7.232 256 HA GLU 53 HA GLU 53 -5.089 -0.389 7.303 257 HB2 GLU 53 HB2 GLU 53 -3.930 1.971 5.754 258 HB3 GLU 53 HB3 GLU 53 -5.645 1.582 5.831 259 HG2 GLU 53 HG2 GLU 53 -3.869 2.426 8.136 260 HG3 GLU 53 HG3 GLU 53 -5.158 3.366 7.384 261 H ILE 54 H ILE 54 -2.484 -0.373 4.961 262 HA ILE 54 HA ILE 54 -3.995 -1.344 2.737 263 HB ILE 54 HB ILE 54 -0.992 -1.443 3.247 264 HG12 ILE 54 HG12 ILE 54 -2.625 0.537 1.581 265 HG13 ILE 54 HG13 ILE 54 -1.910 0.876 3.153 266 HG21 ILE 54 HG21 ILE 54 -2.478 -1.917 0.634 267 HG22 ILE 54 HG22 ILE 54 -1.636 -3.140 1.589 268 HG23 ILE 54 HG23 ILE 54 -0.724 -1.840 0.834 269 HD11 ILE 54 HD11 ILE 54 -0.602 1.825 1.339 270 HD12 ILE 54 HD12 ILE 54 -0.376 0.225 0.633 271 HD13 ILE 54 HD13 ILE 54 0.320 0.604 2.214 272 H SER 55 H SER 55 -2.189 -2.945 5.381 273 HA SER 55 HA SER 55 -1.962 -5.506 4.175 274 HB2 SER 55 HB2 SER 55 -1.419 -6.313 6.489 275 HB3 SER 55 HB3 SER 55 -0.502 -4.877 6.026 276 HG SER 55 HG SER 55 -1.258 -4.421 8.012 277 H LYS 56 H LYS 56 -4.472 -4.082 6.214 278 HA LYS 56 HA LYS 56 -5.997 -6.536 6.458 279 HB2 LYS 56 HB2 LYS 56 -7.709 -5.132 7.538 280 HB3 LYS 56 HB3 LYS 56 -6.121 -4.873 8.248 281 HG2 LYS 56 HG2 LYS 56 -5.885 -2.754 7.034 282 HG3 LYS 56 HG3 LYS 56 -7.420 -3.032 6.209 283 HD2 LYS 56 HD2 LYS 56 -7.816 -1.451 7.982 284 HD3 LYS 56 HD3 LYS 56 -8.576 -2.975 8.436 285 HE2 LYS 56 HE2 LYS 56 -7.488 -2.011 10.375 286 HE3 LYS 56 HE3 LYS 56 -6.610 -3.465 9.902 287 HZ1 LYS 56 HZ1 LYS 56 -5.136 -1.638 10.460 288 HZ2 LYS 56 HZ2 LYS 56 -5.813 -0.682 9.244 289 HZ3 LYS 56 HZ3 LYS 56 -4.956 -2.082 8.842 290 H ARG 57 H ARG 57 -5.835 -3.882 4.240 291 HA ARG 57 HA ARG 57 -8.502 -4.133 3.133 292 HB2 ARG 57 HB2 ARG 57 -6.900 -2.018 3.314 293 HB3 ARG 57 HB3 ARG 57 -6.215 -2.624 1.816 294 HG2 ARG 57 HG2 ARG 57 -7.821 -0.958 1.250 295 HG3 ARG 57 HG3 ARG 57 -8.533 -2.514 0.816 296 HD2 ARG 57 HD2 ARG 57 -9.934 -2.489 2.804 297 HD3 ARG 57 HD3 ARG 57 -9.124 -1.036 3.408 298 HE ARG 57 HE ARG 57 -10.601 -0.989 0.852 299 HH11 ARG 57 HH11 ARG 57 -10.319 0.205 4.151 300 HH12 ARG 57 HH12 ARG 57 -11.375 1.552 3.870 301 HH21 ARG 57 HH21 ARG 57 -11.929 0.810 0.495 302 HH22 ARG 57 HH22 ARG 57 -12.290 1.890 1.807 303 H PHE 58 H PHE 58 -5.244 -4.560 1.902 304 HA PHE 58 HA PHE 58 -5.967 -6.750 0.096 305 HB2 PHE 58 HB2 PHE 58 -3.309 -5.231 0.347 306 HB3 PHE 58 HB3 PHE 58 -3.697 -6.453 -0.857 307 HD1 PHE 58 HD1 PHE 58 -4.291 -2.962 0.210 308 HD2 PHE 58 HD2 PHE 58 -4.984 -5.885 -2.833 309 HE1 PHE 58 HE1 PHE 58 -5.024 -1.191 -1.323 310 HE2 PHE 58 HE2 PHE 58 -5.710 -4.112 -4.362 311 HZ PHE 58 HZ PHE 58 -5.732 -1.763 -3.618 312 H LYS 59 H LYS 59 -6.289 -8.193 1.755 313 HA LYS 59 HA LYS 59 -4.928 -9.050 3.911 314 HB2 LYS 59 HB2 LYS 59 -5.960 -10.958 1.778 315 HB3 LYS 59 HB3 LYS 59 -5.754 -11.322 3.486 316 HG2 LYS 59 HG2 LYS 59 -7.588 -9.053 2.778 317 HG3 LYS 59 HG3 LYS 59 -8.136 -10.673 2.390 318 HD2 LYS 59 HD2 LYS 59 -9.032 -9.883 4.542 319 HD3 LYS 59 HD3 LYS 59 -8.047 -11.324 4.737 320 HE2 LYS 59 HE2 LYS 59 -6.785 -8.627 5.203 321 HE3 LYS 59 HE3 LYS 59 -7.848 -9.305 6.436 322 HZ1 LYS 59 HZ1 LYS 59 -6.453 -11.281 6.497 323 HZ2 LYS 59 HZ2 LYS 59 -5.562 -9.894 6.861 324 HZ3 LYS 59 HZ3 LYS 59 -5.415 -10.616 5.340 325 H SER 60 H SER 60 -2.731 -8.420 3.538 326 HA SER 60 HA SER 60 -0.976 -10.649 2.886 327 HB2 SER 60 HB2 SER 60 -0.708 -7.906 1.555 328 HB3 SER 60 HB3 SER 60 0.603 -9.087 1.618 329 HG SER 60 HG SER 60 -1.909 -9.336 0.340 330 H HIS 61 H HIS 61 1.293 -10.091 3.603 331 HA HIS 61 HA HIS 61 1.206 -8.967 6.282 332 HB2 HIS 61 HB2 HIS 61 2.486 -11.084 5.669 333 HB3 HIS 61 HB3 HIS 61 3.614 -10.082 4.761 334 HD1 HIS 61 HD1 HIS 61 2.197 -9.766 8.298 335 HD2 HIS 61 HD2 HIS 61 5.848 -9.849 6.315 336 HE1 HIS 61 HE1 HIS 61 3.933 -9.439 10.069 337 HE2 HIS 61 HE2 HIS 61 6.108 -9.288 8.823 338 H THR 62 H THR 62 2.427 -7.121 6.981 339 HA THR 62 HA THR 62 2.364 -4.911 5.273 340 HB THR 62 HB THR 62 3.772 -3.810 7.192 341 HG1 THR 62 HG1 THR 62 3.321 -5.301 9.147 342 HG21 THR 62 HG21 THR 62 1.068 -5.043 7.851 343 HG22 THR 62 HG22 THR 62 1.319 -3.527 6.980 344 HG23 THR 62 HG23 THR 62 1.816 -3.660 8.666 345 H ASP 63 H ASP 63 5.026 -7.084 5.999 346 HA ASP 63 HA ASP 63 7.174 -5.597 4.916 347 HB2 ASP 63 HB2 ASP 63 7.570 -7.521 6.364 348 HB3 ASP 63 HB3 ASP 63 6.791 -8.605 5.217 349 H GLN 64 H GLN 64 4.701 -7.553 3.357 350 HA GLN 64 HA GLN 64 6.001 -7.887 0.813 351 HB2 GLN 64 HB2 GLN 64 3.055 -8.102 1.570 352 HB3 GLN 64 HB3 GLN 64 3.726 -8.599 0.022 353 HG2 GLN 64 HG2 GLN 64 4.401 -9.825 2.715 354 HG3 GLN 64 HG3 GLN 64 3.310 -10.510 1.509 355 HE21 GLN 64 HE21 GLN 64 4.197 -11.295 -0.458 356 HE22 GLN 64 HE22 GLN 64 5.858 -11.732 -0.590 357 H LEU 65 H LEU 65 4.342 -5.292 2.312 358 HA LEU 65 HA LEU 65 3.293 -4.060 -0.133 359 HB2 LEU 65 HB2 LEU 65 3.155 -2.942 2.694 360 HB3 LEU 65 HB3 LEU 65 2.078 -2.609 1.347 361 HG LEU 65 HG LEU 65 2.237 -5.262 2.827 362 HD11 LEU 65 HD11 LEU 65 0.111 -4.648 3.865 363 HD12 LEU 65 HD12 LEU 65 0.193 -3.054 3.114 364 HD13 LEU 65 HD13 LEU 65 1.401 -3.533 4.307 365 HD21 LEU 65 HD21 LEU 65 1.448 -5.566 0.542 366 HD22 LEU 65 HD22 LEU 65 0.224 -4.314 0.769 367 HD23 LEU 65 HD23 LEU 65 0.133 -5.820 1.687 368 H VAL 66 H VAL 66 5.028 -3.101 -1.285 369 HA VAL 66 HA VAL 66 6.466 -0.934 0.173 370 HB VAL 66 HB VAL 66 8.269 -1.036 -1.572 371 HG11 VAL 66 HG11 VAL 66 9.411 -3.040 -0.677 372 HG12 VAL 66 HG12 VAL 66 7.883 -3.618 -0.009 373 HG13 VAL 66 HG13 VAL 66 8.606 -2.129 0.601 374 HG21 VAL 66 HG21 VAL 66 7.039 -2.133 -3.413 375 HG22 VAL 66 HG22 VAL 66 6.934 -3.625 -2.477 376 HG23 VAL 66 HG23 VAL 66 8.505 -3.032 -3.019 377 H LEU 67 H LEU 67 5.718 1.000 -0.288 378 HA LEU 67 HA LEU 67 4.231 1.654 -2.711 379 HB2 LEU 67 HB2 LEU 67 5.290 3.442 -0.486 380 HB3 LEU 67 HB3 LEU 67 4.164 3.940 -1.735 381 HG LEU 67 HG LEU 67 3.549 1.880 0.422 382 HD11 LEU 67 HD11 LEU 67 2.670 4.781 0.255 383 HD12 LEU 67 HD12 LEU 67 3.901 4.144 1.350 384 HD13 LEU 67 HD13 LEU 67 2.234 3.608 1.500 385 HD21 LEU 67 HD21 LEU 67 1.706 3.229 -1.587 386 HD22 LEU 67 HD22 LEU 67 1.205 2.144 -0.289 387 HD23 LEU 67 HD23 LEU 67 2.201 1.533 -1.605 388 H ILE 68 H ILE 68 5.025 3.154 -4.291 389 HA ILE 68 HA ILE 68 7.912 3.769 -4.265 390 HB ILE 68 HB ILE 68 6.343 2.690 -6.656 391 HG12 ILE 68 HG12 ILE 68 8.495 1.140 -6.724 392 HG13 ILE 68 HG13 ILE 68 8.698 1.618 -5.049 393 HG21 ILE 68 HG21 ILE 68 9.110 3.975 -6.704 394 HG22 ILE 68 HG22 ILE 68 7.645 4.587 -7.475 395 HG23 ILE 68 HG23 ILE 68 8.381 3.094 -8.053 396 HD11 ILE 68 HD11 ILE 68 7.609 -0.521 -5.197 397 HD12 ILE 68 HD12 ILE 68 6.349 0.142 -6.232 398 HD13 ILE 68 HD13 ILE 68 6.469 0.658 -4.550 399 H PHE 69 H PHE 69 8.337 5.793 -4.656 400 HA PHE 69 HA PHE 69 6.928 7.572 -6.359 401 HB2 PHE 69 HB2 PHE 69 5.394 7.538 -4.304 402 HB3 PHE 69 HB3 PHE 69 6.715 8.229 -3.374 403 HD1 PHE 69 HD1 PHE 69 7.416 10.600 -3.769 404 HD2 PHE 69 HD2 PHE 69 4.127 8.883 -5.897 405 HE1 PHE 69 HE1 PHE 69 6.678 12.835 -4.452 406 HE2 PHE 69 HE2 PHE 69 3.396 11.132 -6.574 407 HZ PHE 69 HZ PHE 69 4.676 13.111 -5.855 408 H ALA 70 H ALA 70 8.225 9.384 -6.780 409 HA ALA 70 HA ALA 70 10.068 10.692 -6.951 410 HB1 ALA 70 HB1 ALA 70 10.553 10.013 -4.027 411 HB2 ALA 70 HB2 ALA 70 9.552 11.339 -4.621 412 HB3 ALA 70 HB3 ALA 70 11.291 11.348 -4.919 413 H GLY 71 H GLY 71 10.207 7.751 -7.461 414 HA2 GLY 71 HA2 GLY 71 11.773 6.398 -8.466 415 HA3 GLY 71 HA3 GLY 71 13.006 7.594 -8.107 416 H LYS 72 H LYS 72 11.128 6.512 -5.431 417 HA LYS 72 HA LYS 72 13.038 4.448 -4.609 418 HB2 LYS 72 HB2 LYS 72 13.286 5.558 -2.336 419 HB3 LYS 72 HB3 LYS 72 14.118 6.353 -3.654 420 HG2 LYS 72 HG2 LYS 72 13.243 8.149 -2.452 421 HG3 LYS 72 HG3 LYS 72 12.055 7.937 -3.736 422 HD2 LYS 72 HD2 LYS 72 10.913 8.333 -1.614 423 HD3 LYS 72 HD3 LYS 72 10.591 6.689 -2.164 424 HE2 LYS 72 HE2 LYS 72 10.993 6.708 0.237 425 HE3 LYS 72 HE3 LYS 72 12.287 5.836 -0.584 426 HZ1 LYS 72 HZ1 LYS 72 12.426 8.629 0.388 427 HZ2 LYS 72 HZ2 LYS 72 13.674 7.791 -0.388 428 HZ3 LYS 72 HZ3 LYS 72 13.127 7.284 1.125 429 H ILE 73 H ILE 73 12.303 3.442 -2.520 430 HA ILE 73 HA ILE 73 9.418 2.948 -2.666 431 HB ILE 73 HB ILE 73 9.796 0.965 -1.192 432 HG12 ILE 73 HG12 ILE 73 12.025 1.806 -0.168 433 HG13 ILE 73 HG13 ILE 73 11.922 0.098 -0.557 434 HG21 ILE 73 HG21 ILE 73 9.645 0.674 -3.586 435 HG22 ILE 73 HG22 ILE 73 10.816 -0.469 -2.932 436 HG23 ILE 73 HG23 ILE 73 11.373 0.976 -3.777 437 HD11 ILE 73 HD11 ILE 73 14.095 1.021 -1.102 438 HD12 ILE 73 HD12 ILE 73 13.359 2.193 -2.187 439 HD13 ILE 73 HD13 ILE 73 13.273 0.473 -2.560 440 H LEU 74 H LEU 74 8.117 3.936 -1.312 441 HA LEU 74 HA LEU 74 8.963 5.494 0.919 442 HB2 LEU 74 HB2 LEU 74 6.119 4.567 0.353 443 HB3 LEU 74 HB3 LEU 74 6.613 5.941 1.324 444 HG LEU 74 HG LEU 74 6.815 5.694 -1.695 445 HD11 LEU 74 HD11 LEU 74 4.535 6.092 -0.911 446 HD12 LEU 74 HD12 LEU 74 5.162 7.510 -1.744 447 HD13 LEU 74 HD13 LEU 74 5.072 7.496 0.018 448 HD21 LEU 74 HD21 LEU 74 8.746 6.942 -0.873 449 HD22 LEU 74 HD22 LEU 74 7.696 8.013 0.056 450 HD23 LEU 74 HD23 LEU 74 7.627 8.018 -1.709 451 H LYS 75 H LYS 75 9.589 4.671 2.779 452 HA LYS 75 HA LYS 75 8.502 2.102 3.776 453 HB2 LYS 75 HB2 LYS 75 11.250 3.356 4.237 454 HB3 LYS 75 HB3 LYS 75 10.690 1.855 4.968 455 HG2 LYS 75 HG2 LYS 75 11.110 2.347 2.001 456 HG3 LYS 75 HG3 LYS 75 12.176 1.420 3.060 457 HD2 LYS 75 HD2 LYS 75 9.301 0.705 2.354 458 HD3 LYS 75 HD3 LYS 75 10.746 -0.050 1.682 459 HE2 LYS 75 HE2 LYS 75 11.352 -0.860 3.957 460 HE3 LYS 75 HE3 LYS 75 9.869 -0.141 4.590 461 HZ1 LYS 75 HZ1 LYS 75 8.587 -1.600 3.166 462 HZ2 LYS 75 HZ2 LYS 75 9.605 -2.499 4.171 463 HZ3 LYS 75 HZ3 LYS 75 10.004 -2.287 2.542 464 H ASP 76 H ASP 76 9.231 2.072 6.310 465 HA ASP 76 HA ASP 76 7.248 3.490 7.652 466 HB2 ASP 76 HB2 ASP 76 9.755 2.171 8.775 467 HB3 ASP 76 HB3 ASP 76 8.368 2.662 9.740 468 H GLN 77 H GLN 77 10.528 4.405 7.000 469 HA GLN 77 HA GLN 77 10.784 6.570 8.876 470 HB2 GLN 77 HB2 GLN 77 12.844 7.111 7.537 471 HB3 GLN 77 HB3 GLN 77 12.777 5.448 8.108 472 HG2 GLN 77 HG2 GLN 77 12.001 4.733 5.844 473 HG3 GLN 77 HG3 GLN 77 12.185 6.395 5.283 474 HE21 GLN 77 HE21 GLN 77 13.522 3.990 4.328 475 HE22 GLN 77 HE22 GLN 77 15.215 4.265 4.519 476 H ASP 78 H ASP 78 9.553 6.270 5.620 477 HA ASP 78 HA ASP 78 9.347 9.151 5.121 478 HB2 ASP 78 HB2 ASP 78 8.258 6.794 3.489 479 HB3 ASP 78 HB3 ASP 78 8.280 8.478 2.970 480 H THR 79 H THR 79 7.303 10.227 4.923 481 HA THR 79 HA THR 79 4.873 8.647 5.568 482 HB THR 79 HB THR 79 3.812 10.490 6.577 483 HG1 THR 79 HG1 THR 79 4.894 12.682 6.333 484 HG21 THR 79 HG21 THR 79 5.692 9.862 8.049 485 HG22 THR 79 HG22 THR 79 5.323 11.581 8.179 486 HG23 THR 79 HG23 THR 79 6.719 11.051 7.241 487 H LEU 80 H LEU 80 3.225 8.772 4.011 488 HA LEU 80 HA LEU 80 3.838 9.415 1.353 489 HB2 LEU 80 HB2 LEU 80 1.474 9.134 0.820 490 HB3 LEU 80 HB3 LEU 80 2.047 7.840 1.849 491 HG LEU 80 HG LEU 80 0.390 10.178 2.891 492 HD11 LEU 80 HD11 LEU 80 -0.902 9.009 1.176 493 HD12 LEU 80 HD12 LEU 80 -1.576 8.718 2.776 494 HD13 LEU 80 HD13 LEU 80 -0.619 7.464 1.982 495 HD21 LEU 80 HD21 LEU 80 1.578 9.000 4.670 496 HD22 LEU 80 HD22 LEU 80 0.959 7.447 4.102 497 HD23 LEU 80 HD23 LEU 80 -0.145 8.653 4.771 498 H SER 81 H SER 81 2.245 11.294 3.856 499 HA SER 81 HA SER 81 1.362 13.513 2.360 500 HB2 SER 81 HB2 SER 81 0.516 12.967 4.613 501 HB3 SER 81 HB3 SER 81 2.101 13.299 5.309 502 HG SER 81 HG SER 81 1.095 15.179 5.600 503 H GLN 82 H GLN 82 4.467 12.762 3.836 504 HA GLN 82 HA GLN 82 5.806 15.251 3.671 505 HB2 GLN 82 HB2 GLN 82 6.636 13.275 4.959 506 HB3 GLN 82 HB3 GLN 82 6.930 12.415 3.457 507 HG2 GLN 82 HG2 GLN 82 8.627 14.214 2.885 508 HG3 GLN 82 HG3 GLN 82 8.419 14.833 4.522 509 HE21 GLN 82 HE21 GLN 82 10.827 13.777 3.315 510 HE22 GLN 82 HE22 GLN 82 11.319 12.430 4.274 511 H HIS 83 H HIS 83 5.279 12.641 1.395 512 HA HIS 83 HA HIS 83 6.964 13.789 -0.698 513 HB2 HIS 83 HB2 HIS 83 5.376 11.200 -0.474 514 HB3 HIS 83 HB3 HIS 83 6.207 11.686 -1.950 515 HD1 HIS 83 HD1 HIS 83 8.582 11.000 -2.135 516 HD2 HIS 83 HD2 HIS 83 7.296 10.961 1.812 517 HE1 HIS 83 HE1 HIS 83 10.502 10.087 -0.814 518 HE2 HIS 83 HE2 HIS 83 9.752 10.211 1.583 519 H GLY 84 H GLY 84 4.175 14.821 0.345 520 HA2 GLY 84 HA2 GLY 84 2.765 16.381 -0.594 521 HA3 GLY 84 HA3 GLY 84 3.483 16.062 -2.166 522 H ILE 85 H ILE 85 2.412 13.258 -0.559 523 HA ILE 85 HA ILE 85 0.235 12.902 -2.476 524 HB ILE 85 HB ILE 85 1.356 10.951 -0.410 525 HG12 ILE 85 HG12 ILE 85 1.942 10.974 -3.423 526 HG13 ILE 85 HG13 ILE 85 3.013 11.698 -2.228 527 HG21 ILE 85 HG21 ILE 85 -0.964 10.438 -1.093 528 HG22 ILE 85 HG22 ILE 85 0.162 9.217 -1.667 529 HG23 ILE 85 HG23 ILE 85 -0.470 10.420 -2.791 530 HD11 ILE 85 HD11 ILE 85 2.256 8.789 -2.379 531 HD12 ILE 85 HD12 ILE 85 3.326 9.519 -1.180 532 HD13 ILE 85 HD13 ILE 85 3.783 9.510 -2.882 533 H HIS 86 H HIS 86 -1.617 13.770 -1.882 534 HA HIS 86 HA HIS 86 -2.701 13.421 0.846 535 HB2 HIS 86 HB2 HIS 86 -2.732 15.999 -0.806 536 HB3 HIS 86 HB3 HIS 86 -3.598 15.772 0.712 537 HD1 HIS 86 HD1 HIS 86 -0.779 17.447 -0.379 538 HD2 HIS 86 HD2 HIS 86 -1.395 14.792 2.752 539 HE1 HIS 86 HE1 HIS 86 1.142 17.803 1.191 540 HE2 HIS 86 HE2 HIS 86 0.622 16.348 3.173 541 H ASP 87 H ASP 87 -5.128 14.744 0.337 542 HA ASP 87 HA ASP 87 -6.763 12.867 -0.905 543 HB2 ASP 87 HB2 ASP 87 -7.619 14.433 0.748 544 HB3 ASP 87 HB3 ASP 87 -7.203 15.807 -0.265 545 H GLY 88 H GLY 88 -6.890 12.345 -2.994 546 HA2 GLY 88 HA2 GLY 88 -7.558 12.790 -5.232 547 HA3 GLY 88 HA3 GLY 88 -6.916 14.418 -5.109 548 H LEU 89 H LEU 89 -4.578 12.536 -3.767 549 HA LEU 89 HA LEU 89 -3.082 12.226 -6.296 550 HB2 LEU 89 HB2 LEU 89 -2.154 12.327 -3.396 551 HB3 LEU 89 HB3 LEU 89 -1.090 11.855 -4.706 552 HG LEU 89 HG LEU 89 -0.608 14.141 -4.143 553 HD11 LEU 89 HD11 LEU 89 -0.934 15.298 -6.268 554 HD12 LEU 89 HD12 LEU 89 -2.158 14.121 -6.746 555 HD13 LEU 89 HD13 LEU 89 -0.483 13.612 -6.519 556 HD21 LEU 89 HD21 LEU 89 -2.238 15.974 -4.215 557 HD22 LEU 89 HD22 LEU 89 -2.682 14.764 -3.015 558 HD23 LEU 89 HD23 LEU 89 -3.534 14.822 -4.558 559 H THR 90 H THR 90 -1.915 10.300 -6.717 560 HA THR 90 HA THR 90 -2.974 7.833 -5.462 561 HB THR 90 HB THR 90 -1.896 8.114 -8.313 562 HG1 THR 90 HG1 THR 90 -4.199 8.982 -7.397 563 HG21 THR 90 HG21 THR 90 -1.760 5.798 -7.392 564 HG22 THR 90 HG22 THR 90 -2.951 5.905 -8.689 565 HG23 THR 90 HG23 THR 90 -3.480 5.856 -7.006 566 H VAL 91 H VAL 91 -1.503 6.214 -4.887 567 HA VAL 91 HA VAL 91 1.407 6.721 -5.279 568 HB VAL 91 HB VAL 91 0.348 4.784 -3.170 569 HG11 VAL 91 HG11 VAL 91 2.945 6.353 -3.365 570 HG12 VAL 91 HG12 VAL 91 2.724 4.638 -3.720 571 HG13 VAL 91 HG13 VAL 91 2.515 5.228 -2.072 572 HG21 VAL 91 HG21 VAL 91 0.456 6.517 -1.435 573 HG22 VAL 91 HG22 VAL 91 -0.772 6.891 -2.644 574 HG23 VAL 91 HG23 VAL 91 0.772 7.742 -2.668 575 H HIS 92 H HIS 92 2.627 5.003 -6.178 576 HA HIS 92 HA HIS 92 1.123 2.688 -7.207 577 HB2 HIS 92 HB2 HIS 92 3.932 3.726 -7.765 578 HB3 HIS 92 HB3 HIS 92 3.386 2.146 -8.330 579 HD1 HIS 92 HD1 HIS 92 1.739 2.070 -10.268 580 HD2 HIS 92 HD2 HIS 92 2.686 5.933 -9.063 581 HE1 HIS 92 HE1 HIS 92 0.829 3.580 -12.053 582 HE2 HIS 92 HE2 HIS 92 1.483 5.900 -11.342 583 H LEU 93 H LEU 93 0.809 1.252 -5.663 584 HA LEU 93 HA LEU 93 2.978 0.359 -3.883 585 HB2 LEU 93 HB2 LEU 93 0.830 0.749 -2.816 586 HB3 LEU 93 HB3 LEU 93 0.005 -0.242 -4.004 587 HG LEU 93 HG LEU 93 1.185 -2.268 -3.087 588 HD11 LEU 93 HD11 LEU 93 3.153 -1.233 -2.102 589 HD12 LEU 93 HD12 LEU 93 2.276 -2.173 -0.901 590 HD13 LEU 93 HD13 LEU 93 2.156 -0.410 -0.903 591 HD21 LEU 93 HD21 LEU 93 -0.450 -0.715 -1.068 592 HD22 LEU 93 HD22 LEU 93 -0.176 -2.461 -1.072 593 HD23 LEU 93 HD23 LEU 93 -1.080 -1.713 -2.378 594 H VAL 94 H VAL 94 3.986 -1.488 -4.228 595 HA VAL 94 HA VAL 94 2.890 -3.477 -6.120 596 HB VAL 94 HB VAL 94 5.849 -2.851 -5.645 597 HG11 VAL 94 HG11 VAL 94 4.565 -4.821 -7.576 598 HG12 VAL 94 HG12 VAL 94 5.498 -5.228 -6.134 599 HG13 VAL 94 HG13 VAL 94 6.287 -4.435 -7.496 600 HG21 VAL 94 HG21 VAL 94 4.796 -1.058 -6.949 601 HG22 VAL 94 HG22 VAL 94 4.126 -2.233 -8.082 602 HG23 VAL 94 HG23 VAL 94 5.873 -2.002 -7.980 603 H ILE 95 H ILE 95 2.106 -5.017 -4.885 604 HA ILE 95 HA ILE 95 3.510 -5.962 -2.466 605 HB ILE 95 HB ILE 95 0.854 -7.027 -3.536 606 HG12 ILE 95 HG12 ILE 95 1.134 -4.689 -1.587 607 HG13 ILE 95 HG13 ILE 95 0.619 -4.547 -3.263 608 HG21 ILE 95 HG21 ILE 95 2.026 -6.986 -0.727 609 HG22 ILE 95 HG22 ILE 95 1.980 -8.379 -1.811 610 HG23 ILE 95 HG23 ILE 95 0.477 -7.698 -1.192 611 HD11 ILE 95 HD11 ILE 95 -0.837 -6.020 -1.072 612 HD12 ILE 95 HD12 ILE 95 -1.349 -5.933 -2.762 613 HD13 ILE 95 HD13 ILE 95 -1.278 -4.467 -1.784 614 H LYS 96 H LYS 96 4.789 -7.773 -2.674 615 HA LYS 96 HA LYS 96 4.809 -9.246 -5.194 616 HB2 LYS 96 HB2 LYS 96 6.943 -8.557 -4.007 617 HB3 LYS 96 HB3 LYS 96 6.557 -9.707 -2.733 618 HG2 LYS 96 HG2 LYS 96 8.209 -10.637 -4.302 619 HG3 LYS 96 HG3 LYS 96 6.712 -11.573 -4.332 620 HD2 LYS 96 HD2 LYS 96 6.027 -10.364 -6.408 621 HD3 LYS 96 HD3 LYS 96 7.558 -9.484 -6.381 622 HE2 LYS 96 HE2 LYS 96 7.654 -11.341 -7.977 623 HE3 LYS 96 HE3 LYS 96 8.782 -11.616 -6.652 624 HZ1 LYS 96 HZ1 LYS 96 6.094 -12.850 -6.910 625 HZ2 LYS 96 HZ2 LYS 96 7.192 -13.138 -5.662 626 HZ3 LYS 96 HZ3 LYS 96 7.563 -13.614 -7.237 627 H THR 97 H THR 97 2.457 -9.740 -4.491 628 HA THR 97 HA THR 97 2.415 -12.523 -3.517 629 HB THR 97 HB THR 97 0.124 -12.086 -2.550 630 HG1 THR 97 HG1 THR 97 -0.460 -9.882 -2.189 631 HG21 THR 97 HG21 THR 97 2.319 -10.405 -1.267 632 HG22 THR 97 HG22 THR 97 2.074 -12.136 -1.019 633 HG23 THR 97 HG23 THR 97 0.857 -10.985 -0.466 634 H GLN 98 H GLN 98 1.034 -13.866 -4.693 635 HA GLN 98 HA GLN 98 0.200 -12.816 -7.340 636 HB2 GLN 98 HB2 GLN 98 0.650 -15.203 -8.130 637 HB3 GLN 98 HB3 GLN 98 2.060 -14.276 -7.637 638 HG2 GLN 98 HG2 GLN 98 2.146 -15.456 -5.501 639 HG3 GLN 98 HG3 GLN 98 0.667 -16.324 -5.887 640 HE21 GLN 98 HE21 GLN 98 0.753 -18.029 -7.373 641 HE22 GLN 98 HE22 GLN 98 2.238 -18.749 -7.874 642 H ASN 99 H ASN 99 -0.673 -15.364 -4.962 643 HA ASN 99 HA ASN 99 -3.180 -15.905 -6.358 644 HB2 ASN 99 HB2 ASN 99 -1.948 -17.253 -3.916 645 HB3 ASN 99 HB3 ASN 99 -3.380 -17.817 -4.775 646 HD21 ASN 99 HD21 ASN 99 -0.841 -19.194 -4.332 647 HD22 ASN 99 HD22 ASN 99 -0.223 -19.602 -5.893 648 H ARG 100 H ARG 100 -2.111 -14.848 -3.113 649 HA ARG 100 HA ARG 100 -4.785 -14.113 -2.257 650 HB2 ARG 100 HB2 ARG 100 -3.707 -13.267 -0.213 651 HB3 ARG 100 HB3 ARG 100 -3.112 -14.879 -0.585 652 HG2 ARG 100 HG2 ARG 100 -0.990 -14.097 -1.224 653 HG3 ARG 100 HG3 ARG 100 -1.555 -12.446 -1.470 654 HD2 ARG 100 HD2 ARG 100 -0.187 -12.543 0.520 655 HD3 ARG 100 HD3 ARG 100 -1.855 -12.210 0.981 656 HE ARG 100 HE ARG 100 -0.974 -14.991 1.088 657 HH11 ARG 100 HH11 ARG 100 -1.782 -12.082 2.852 658 HH12 ARG 100 HH12 ARG 100 -1.631 -12.830 4.411 659 HH21 ARG 100 HH21 ARG 100 -0.787 -15.981 3.127 660 HH22 ARG 100 HH22 ARG 100 -1.089 -15.060 4.563 661 HA PRO 101 HA PRO 101 -4.673 -9.766 -3.673 662 HB2 PRO 101 HB2 PRO 101 -6.028 -9.021 -1.109 663 HB3 PRO 101 HB3 PRO 101 -6.580 -8.803 -2.773 664 HG2 PRO 101 HG2 PRO 101 -7.695 -10.651 -1.167 665 HG3 PRO 101 HG3 PRO 101 -7.466 -10.954 -2.904 666 HD2 PRO 101 HD2 PRO 101 -5.794 -11.908 -0.574 667 HD3 PRO 101 HD3 PRO 101 -6.355 -12.812 -2.002 Start of MODEL 8 1 HA PRO 23 HA PRO 23 -11.854 21.020 3.167 2 HB2 PRO 23 HB2 PRO 23 -10.850 19.609 5.416 3 HB3 PRO 23 HB3 PRO 23 -10.502 21.297 5.000 4 HG2 PRO 23 HG2 PRO 23 -12.576 20.196 6.872 5 HG3 PRO 23 HG3 PRO 23 -11.593 21.666 7.031 6 HD2 PRO 23 HD2 PRO 23 -14.170 21.833 6.318 7 HD3 PRO 23 HD3 PRO 23 -12.966 22.895 5.563 8 H LYS 24 H LYS 24 -10.922 18.974 2.525 9 HA LYS 24 HA LYS 24 -12.744 16.624 2.683 10 HB2 LYS 24 HB2 LYS 24 -12.453 17.592 0.371 11 HB3 LYS 24 HB3 LYS 24 -10.719 17.371 0.511 12 HG2 LYS 24 HG2 LYS 24 -11.478 15.569 -0.839 13 HG3 LYS 24 HG3 LYS 24 -11.162 14.862 0.746 14 HD2 LYS 24 HD2 LYS 24 -13.236 13.955 -0.093 15 HD3 LYS 24 HD3 LYS 24 -13.605 15.023 1.261 16 HE2 LYS 24 HE2 LYS 24 -14.316 16.786 -0.265 17 HE3 LYS 24 HE3 LYS 24 -13.829 15.825 -1.663 18 HZ1 LYS 24 HZ1 LYS 24 -15.996 15.164 0.254 19 HZ2 LYS 24 HZ2 LYS 24 -15.522 14.190 -1.037 20 HZ3 LYS 24 HZ3 LYS 24 -16.201 15.708 -1.333 21 H ILE 25 H ILE 25 -11.808 14.637 3.172 22 HA ILE 25 HA ILE 25 -9.166 14.597 4.405 23 HB ILE 25 HB ILE 25 -11.263 13.412 5.320 24 HG12 ILE 25 HG12 ILE 25 -8.773 11.677 4.981 25 HG13 ILE 25 HG13 ILE 25 -8.904 13.012 6.120 26 HG21 ILE 25 HG21 ILE 25 -11.798 11.181 4.482 27 HG22 ILE 25 HG22 ILE 25 -10.575 11.324 3.217 28 HG23 ILE 25 HG23 ILE 25 -12.002 12.371 3.193 29 HD11 ILE 25 HD11 ILE 25 -9.223 10.942 7.249 30 HD12 ILE 25 HD12 ILE 25 -10.509 10.476 6.138 31 HD13 ILE 25 HD13 ILE 25 -10.743 11.837 7.239 32 H MET 26 H MET 26 -7.519 12.972 3.680 33 HA MET 26 HA MET 26 -7.171 13.316 0.820 34 HB2 MET 26 HB2 MET 26 -5.281 13.744 2.328 35 HB3 MET 26 HB3 MET 26 -5.336 12.094 2.932 36 HG2 MET 26 HG2 MET 26 -4.720 11.264 0.702 37 HG3 MET 26 HG3 MET 26 -4.664 12.917 0.103 38 HE1 MET 26 HE1 MET 26 -2.758 14.653 0.682 39 HE2 MET 26 HE2 MET 26 -1.576 14.396 1.967 40 HE3 MET 26 HE3 MET 26 -3.286 14.570 2.362 41 H LYS 27 H LYS 27 -8.284 11.963 -0.407 42 HA LYS 27 HA LYS 27 -8.773 9.177 0.245 43 HB2 LYS 27 HB2 LYS 27 -9.471 10.652 -2.332 44 HB3 LYS 27 HB3 LYS 27 -10.198 9.169 -1.726 45 HG2 LYS 27 HG2 LYS 27 -10.460 11.910 -0.444 46 HG3 LYS 27 HG3 LYS 27 -11.674 11.148 -1.467 47 HD2 LYS 27 HD2 LYS 27 -10.707 10.059 1.203 48 HD3 LYS 27 HD3 LYS 27 -12.182 11.000 0.965 49 HE2 LYS 27 HE2 LYS 27 -13.022 9.226 -0.586 50 HE3 LYS 27 HE3 LYS 27 -11.570 8.281 -0.256 51 HZ1 LYS 27 HZ1 LYS 27 -13.530 7.601 1.047 52 HZ2 LYS 27 HZ2 LYS 27 -13.524 9.107 1.815 53 HZ3 LYS 27 HZ3 LYS 27 -12.219 8.053 2.009 54 H VAL 28 H VAL 28 -6.781 8.186 0.197 55 HA VAL 28 HA VAL 28 -5.032 8.375 -2.154 56 HB VAL 28 HB VAL 28 -4.605 6.769 0.414 57 HG11 VAL 28 HG11 VAL 28 -2.633 7.683 -1.709 58 HG12 VAL 28 HG12 VAL 28 -3.199 6.032 -1.440 59 HG13 VAL 28 HG13 VAL 28 -2.216 6.838 -0.218 60 HG21 VAL 28 HG21 VAL 28 -3.646 9.593 -0.170 61 HG22 VAL 28 HG22 VAL 28 -3.194 8.616 1.229 62 HG23 VAL 28 HG23 VAL 28 -4.870 9.123 1.020 63 H THR 29 H THR 29 -5.662 7.049 -3.794 64 HA THR 29 HA THR 29 -6.895 4.441 -3.298 65 HB THR 29 HB THR 29 -6.196 5.804 -5.948 66 HG1 THR 29 HG1 THR 29 -8.119 6.317 -4.159 67 HG21 THR 29 HG21 THR 29 -6.448 3.330 -6.169 68 HG22 THR 29 HG22 THR 29 -7.779 4.179 -6.956 69 HG23 THR 29 HG23 THR 29 -8.024 3.421 -5.380 70 H VAL 30 H VAL 30 -5.572 2.760 -2.899 71 HA VAL 30 HA VAL 30 -2.845 2.639 -4.027 72 HB VAL 30 HB VAL 30 -4.234 0.909 -1.909 73 HG11 VAL 30 HG11 VAL 30 -1.343 0.792 -2.872 74 HG12 VAL 30 HG12 VAL 30 -2.578 -0.444 -3.111 75 HG13 VAL 30 HG13 VAL 30 -2.000 -0.092 -1.486 76 HG21 VAL 30 HG21 VAL 30 -2.079 3.042 -1.645 77 HG22 VAL 30 HG22 VAL 30 -2.670 2.019 -0.330 78 HG23 VAL 30 HG23 VAL 30 -3.757 3.165 -1.113 79 H LYS 31 H LYS 31 -2.728 1.703 -5.952 80 HA LYS 31 HA LYS 31 -4.714 -0.325 -6.780 81 HB2 LYS 31 HB2 LYS 31 -4.077 1.938 -8.106 82 HB3 LYS 31 HB3 LYS 31 -2.769 0.947 -8.723 83 HG2 LYS 31 HG2 LYS 31 -5.704 0.217 -8.960 84 HG3 LYS 31 HG3 LYS 31 -4.803 1.085 -10.201 85 HD2 LYS 31 HD2 LYS 31 -4.143 -1.704 -9.195 86 HD3 LYS 31 HD3 LYS 31 -5.026 -1.360 -10.682 87 HE2 LYS 31 HE2 LYS 31 -2.159 -0.536 -10.093 88 HE3 LYS 31 HE3 LYS 31 -2.648 -1.886 -11.115 89 HZ1 LYS 31 HZ1 LYS 31 -3.242 0.972 -11.616 90 HZ2 LYS 31 HZ2 LYS 31 -3.723 -0.314 -12.598 91 HZ3 LYS 31 HZ3 LYS 31 -2.081 0.043 -12.415 92 H THR 32 H THR 32 -4.080 -2.348 -7.204 93 HA THR 32 HA THR 32 -1.220 -3.150 -7.187 94 HB THR 32 HB THR 32 -1.836 -5.097 -5.751 95 HG1 THR 32 HG1 THR 32 -4.339 -3.875 -5.245 96 HG21 THR 32 HG21 THR 32 -2.238 -3.942 -3.606 97 HG22 THR 32 HG22 THR 32 -2.640 -2.463 -4.481 98 HG23 THR 32 HG23 THR 32 -1.007 -3.128 -4.569 99 HA PRO 33 HA PRO 33 -2.599 -6.072 -10.436 100 HB2 PRO 33 HB2 PRO 33 -1.384 -8.438 -9.713 101 HB3 PRO 33 HB3 PRO 33 -0.517 -7.090 -10.461 102 HG2 PRO 33 HG2 PRO 33 -0.745 -7.768 -7.525 103 HG3 PRO 33 HG3 PRO 33 0.719 -7.405 -8.474 104 HD2 PRO 33 HD2 PRO 33 -0.418 -5.508 -6.977 105 HD3 PRO 33 HD3 PRO 33 0.225 -5.105 -8.582 106 H LYS 34 H LYS 34 -3.345 -6.475 -7.103 107 HA LYS 34 HA LYS 34 -5.261 -8.628 -7.356 108 HB2 LYS 34 HB2 LYS 34 -4.780 -6.638 -5.087 109 HB3 LYS 34 HB3 LYS 34 -5.954 -7.943 -5.017 110 HG2 LYS 34 HG2 LYS 34 -4.065 -8.650 -3.782 111 HG3 LYS 34 HG3 LYS 34 -4.060 -9.571 -5.284 112 HD2 LYS 34 HD2 LYS 34 -2.295 -8.085 -6.185 113 HD3 LYS 34 HD3 LYS 34 -2.316 -7.147 -4.686 114 HE2 LYS 34 HE2 LYS 34 -0.439 -8.793 -4.800 115 HE3 LYS 34 HE3 LYS 34 -1.503 -9.054 -3.419 116 HZ1 LYS 34 HZ1 LYS 34 -1.613 -10.568 -5.968 117 HZ2 LYS 34 HZ2 LYS 34 -2.566 -10.845 -4.599 118 HZ3 LYS 34 HZ3 LYS 34 -0.899 -11.113 -4.534 119 H GLU 35 H GLU 35 -5.543 -5.197 -6.460 120 HA GLU 35 HA GLU 35 -7.788 -4.570 -8.086 121 HB2 GLU 35 HB2 GLU 35 -9.469 -4.315 -6.253 122 HB3 GLU 35 HB3 GLU 35 -9.006 -5.997 -6.492 123 HG2 GLU 35 HG2 GLU 35 -7.479 -5.849 -4.538 124 HG3 GLU 35 HG3 GLU 35 -7.975 -4.175 -4.288 125 H LYS 36 H LYS 36 -8.825 -2.433 -7.183 126 HA LYS 36 HA LYS 36 -6.738 -0.669 -6.049 127 HB2 LYS 36 HB2 LYS 36 -8.187 1.203 -6.896 128 HB3 LYS 36 HB3 LYS 36 -7.586 0.154 -8.172 129 HG2 LYS 36 HG2 LYS 36 -9.760 -0.930 -8.387 130 HG3 LYS 36 HG3 LYS 36 -10.382 -0.042 -6.996 131 HD2 LYS 36 HD2 LYS 36 -9.490 1.227 -9.617 132 HD3 LYS 36 HD3 LYS 36 -11.165 0.891 -9.173 133 HE2 LYS 36 HE2 LYS 36 -11.005 2.438 -7.279 134 HE3 LYS 36 HE3 LYS 36 -9.304 2.740 -7.636 135 HZ1 LYS 36 HZ1 LYS 36 -11.551 3.358 -9.461 136 HZ2 LYS 36 HZ2 LYS 36 -9.920 3.728 -9.715 137 HZ3 LYS 36 HZ3 LYS 36 -10.775 4.480 -8.462 138 H GLU 37 H GLU 37 -6.985 0.062 -3.999 139 HA GLU 37 HA GLU 37 -9.638 0.005 -2.689 140 HB2 GLU 37 HB2 GLU 37 -8.233 -1.921 -1.891 141 HB3 GLU 37 HB3 GLU 37 -6.988 -0.785 -1.382 142 HG2 GLU 37 HG2 GLU 37 -8.254 -1.486 0.550 143 HG3 GLU 37 HG3 GLU 37 -8.592 0.215 0.239 144 H GLU 38 H GLU 38 -10.168 2.005 -2.103 145 HA GLU 38 HA GLU 38 -8.132 4.125 -2.027 146 HB2 GLU 38 HB2 GLU 38 -9.997 4.434 -3.591 147 HB3 GLU 38 HB3 GLU 38 -11.165 4.221 -2.287 148 HG2 GLU 38 HG2 GLU 38 -10.278 6.296 -1.209 149 HG3 GLU 38 HG3 GLU 38 -9.204 6.524 -2.594 150 H PHE 39 H PHE 39 -7.365 4.424 -0.061 151 HA PHE 39 HA PHE 39 -8.954 4.146 2.368 152 HB2 PHE 39 HB2 PHE 39 -6.023 4.925 1.991 153 HB3 PHE 39 HB3 PHE 39 -6.796 4.551 3.529 154 HD1 PHE 39 HD1 PHE 39 -5.563 3.124 0.334 155 HD2 PHE 39 HD2 PHE 39 -7.222 2.240 4.175 156 HE1 PHE 39 HE1 PHE 39 -5.007 0.744 0.034 157 HE2 PHE 39 HE2 PHE 39 -6.661 -0.129 3.867 158 HZ PHE 39 HZ PHE 39 -5.556 -0.881 1.799 159 H ALA 40 H ALA 40 -9.120 5.910 3.901 160 HA ALA 40 HA ALA 40 -8.768 8.654 2.809 161 HB1 ALA 40 HB1 ALA 40 -10.724 9.305 4.172 162 HB2 ALA 40 HB2 ALA 40 -10.929 7.631 4.689 163 HB3 ALA 40 HB3 ALA 40 -11.149 8.063 2.993 164 H VAL 41 H VAL 41 -7.242 9.712 3.887 165 HA VAL 41 HA VAL 41 -6.659 9.107 6.716 166 HB VAL 41 HB VAL 41 -4.210 9.208 6.288 167 HG11 VAL 41 HG11 VAL 41 -5.557 7.044 4.631 168 HG12 VAL 41 HG12 VAL 41 -5.291 6.998 6.374 169 HG13 VAL 41 HG13 VAL 41 -3.912 6.980 5.274 170 HG21 VAL 41 HG21 VAL 41 -4.110 10.553 4.244 171 HG22 VAL 41 HG22 VAL 41 -4.918 9.284 3.324 172 HG23 VAL 41 HG23 VAL 41 -3.296 9.011 3.966 173 HA PRO 42 HA PRO 42 -6.899 13.575 6.843 174 HB2 PRO 42 HB2 PRO 42 -6.203 14.043 9.397 175 HB3 PRO 42 HB3 PRO 42 -7.638 13.083 9.012 176 HG2 PRO 42 HG2 PRO 42 -4.880 12.123 9.777 177 HG3 PRO 42 HG3 PRO 42 -6.455 11.610 10.424 178 HD2 PRO 42 HD2 PRO 42 -5.109 10.231 8.465 179 HD3 PRO 42 HD3 PRO 42 -6.878 10.212 8.619 180 H GLU 43 H GLU 43 -4.562 12.764 5.480 181 HA GLU 43 HA GLU 43 -2.503 13.241 4.780 182 HB2 GLU 43 HB2 GLU 43 -1.997 15.496 4.361 183 HB3 GLU 43 HB3 GLU 43 -3.749 15.462 4.472 184 HG2 GLU 43 HG2 GLU 43 -3.685 16.466 6.689 185 HG3 GLU 43 HG3 GLU 43 -1.931 16.340 6.740 186 H ASN 44 H ASN 44 -2.805 12.740 7.915 187 HA ASN 44 HA ASN 44 -0.105 13.619 8.722 188 HB2 ASN 44 HB2 ASN 44 -2.027 14.485 10.077 189 HB3 ASN 44 HB3 ASN 44 -2.494 12.832 10.455 190 HD21 ASN 44 HD21 ASN 44 -1.157 11.616 11.902 191 HD22 ASN 44 HD22 ASN 44 -0.018 12.398 12.942 192 H SER 45 H SER 45 -2.356 10.925 8.453 193 HA SER 45 HA SER 45 -0.864 8.850 9.570 194 HB2 SER 45 HB2 SER 45 -2.757 8.652 7.192 195 HB3 SER 45 HB3 SER 45 -2.290 7.337 8.275 196 HG SER 45 HG SER 45 -3.375 8.369 9.942 197 H SER 46 H SER 46 1.246 8.868 9.066 198 HA SER 46 HA SER 46 2.381 9.200 6.469 199 HB2 SER 46 HB2 SER 46 3.646 8.018 8.981 200 HB3 SER 46 HB3 SER 46 4.494 8.731 7.603 201 HG SER 46 HG SER 46 2.643 10.441 8.621 202 H VAL 47 H VAL 47 4.018 7.396 5.702 203 HA VAL 47 HA VAL 47 2.464 5.265 4.715 204 HB VAL 47 HB VAL 47 5.500 5.505 4.800 205 HG11 VAL 47 HG11 VAL 47 3.789 3.697 3.052 206 HG12 VAL 47 HG12 VAL 47 4.859 3.176 4.351 207 HG13 VAL 47 HG13 VAL 47 5.539 3.913 2.902 208 HG21 VAL 47 HG21 VAL 47 4.428 7.397 3.661 209 HG22 VAL 47 HG22 VAL 47 3.544 6.289 2.609 210 HG23 VAL 47 HG23 VAL 47 5.304 6.388 2.510 211 H GLN 48 H GLN 48 4.604 5.463 7.527 212 HA GLN 48 HA GLN 48 4.799 2.745 8.181 213 HB2 GLN 48 HB2 GLN 48 5.214 3.602 10.589 214 HB3 GLN 48 HB3 GLN 48 6.323 4.075 9.322 215 HG2 GLN 48 HG2 GLN 48 6.034 5.991 10.646 216 HG3 GLN 48 HG3 GLN 48 5.095 6.285 9.193 217 HE21 GLN 48 HE21 GLN 48 4.896 5.453 12.607 218 HE22 GLN 48 HE22 GLN 48 3.275 5.998 12.841 219 H GLN 49 H GLN 49 2.133 4.933 8.747 220 HA GLN 49 HA GLN 49 0.672 2.970 10.388 221 HB2 GLN 49 HB2 GLN 49 0.715 5.413 11.043 222 HB3 GLN 49 HB3 GLN 49 -0.124 5.800 9.546 223 HG2 GLN 49 HG2 GLN 49 -1.729 5.796 11.324 224 HG3 GLN 49 HG3 GLN 49 -2.043 4.385 10.319 225 HE21 GLN 49 HE21 GLN 49 -0.944 5.500 13.431 226 HE22 GLN 49 HE22 GLN 49 -0.995 3.963 14.217 227 H PHE 50 H PHE 50 1.017 3.953 7.164 228 HA PHE 50 HA PHE 50 -1.741 3.695 6.342 229 HB2 PHE 50 HB2 PHE 50 -0.183 5.425 5.418 230 HB3 PHE 50 HB3 PHE 50 0.754 4.143 4.656 231 HD1 PHE 50 HD1 PHE 50 -2.788 5.383 4.859 232 HD2 PHE 50 HD2 PHE 50 0.260 3.644 2.419 233 HE1 PHE 50 HE1 PHE 50 -4.279 5.480 2.915 234 HE2 PHE 50 HE2 PHE 50 -1.238 3.751 0.483 235 HZ PHE 50 HZ PHE 50 -3.511 4.659 0.732 236 H LYS 51 H LYS 51 1.311 1.865 5.764 237 HA LYS 51 HA LYS 51 0.057 -0.125 4.133 238 HB2 LYS 51 HB2 LYS 51 2.116 -1.199 3.938 239 HB3 LYS 51 HB3 LYS 51 2.577 0.472 4.186 240 HG2 LYS 51 HG2 LYS 51 2.688 -1.743 6.255 241 HG3 LYS 51 HG3 LYS 51 4.057 -1.076 5.370 242 HD2 LYS 51 HD2 LYS 51 3.447 1.181 6.476 243 HD3 LYS 51 HD3 LYS 51 2.391 0.250 7.531 244 HE2 LYS 51 HE2 LYS 51 5.392 -0.119 7.249 245 HE3 LYS 51 HE3 LYS 51 4.570 0.673 8.592 246 HZ1 LYS 51 HZ1 LYS 51 5.073 -1.498 9.260 247 HZ2 LYS 51 HZ2 LYS 51 4.474 -2.179 7.839 248 HZ3 LYS 51 HZ3 LYS 51 3.411 -1.484 8.956 249 H GLU 52 H GLU 52 0.264 0.337 7.521 250 HA GLU 52 HA GLU 52 -0.383 -2.204 8.548 251 HB2 GLU 52 HB2 GLU 52 -1.264 0.566 9.477 252 HB3 GLU 52 HB3 GLU 52 -1.414 -0.899 10.435 253 HG2 GLU 52 HG2 GLU 52 1.238 0.178 9.454 254 HG3 GLU 52 HG3 GLU 52 0.531 0.622 11.000 255 H GLU 53 H GLU 53 -2.436 0.469 7.397 256 HA GLU 53 HA GLU 53 -4.947 -0.833 7.703 257 HB2 GLU 53 HB2 GLU 53 -4.128 1.575 6.024 258 HB3 GLU 53 HB3 GLU 53 -5.796 1.059 6.250 259 HG2 GLU 53 HG2 GLU 53 -3.913 1.994 8.438 260 HG3 GLU 53 HG3 GLU 53 -5.226 2.932 7.729 261 H ILE 54 H ILE 54 -2.635 -0.607 5.053 262 HA ILE 54 HA ILE 54 -4.199 -1.724 2.985 263 HB ILE 54 HB ILE 54 -1.180 -1.743 3.423 264 HG12 ILE 54 HG12 ILE 54 -2.935 0.049 1.665 265 HG13 ILE 54 HG13 ILE 54 -2.130 0.528 3.155 266 HG21 ILE 54 HG21 ILE 54 -0.904 -2.319 1.058 267 HG22 ILE 54 HG22 ILE 54 -2.652 -2.449 0.864 268 HG23 ILE 54 HG23 ILE 54 -1.792 -3.584 1.905 269 HD11 ILE 54 HD11 ILE 54 0.046 0.233 2.095 270 HD12 ILE 54 HD12 ILE 54 -0.963 1.354 1.184 271 HD13 ILE 54 HD13 ILE 54 -0.735 -0.294 0.601 272 H SER 55 H SER 55 -2.246 -3.221 5.532 273 HA SER 55 HA SER 55 -1.834 -5.766 4.497 274 HB2 SER 55 HB2 SER 55 -0.608 -4.893 6.423 275 HB3 SER 55 HB3 SER 55 -2.064 -4.917 7.407 276 HG SER 55 HG SER 55 -1.108 -7.275 6.184 277 H LYS 56 H LYS 56 -4.535 -4.601 6.464 278 HA LYS 56 HA LYS 56 -5.782 -7.186 6.790 279 HB2 LYS 56 HB2 LYS 56 -7.570 -5.908 7.922 280 HB3 LYS 56 HB3 LYS 56 -5.981 -5.433 8.507 281 HG2 LYS 56 HG2 LYS 56 -6.162 -3.482 6.780 282 HG3 LYS 56 HG3 LYS 56 -7.879 -3.879 6.738 283 HD2 LYS 56 HD2 LYS 56 -7.516 -2.060 8.313 284 HD3 LYS 56 HD3 LYS 56 -7.996 -3.504 9.205 285 HE2 LYS 56 HE2 LYS 56 -5.643 -3.919 9.813 286 HE3 LYS 56 HE3 LYS 56 -5.146 -2.503 8.887 287 HZ1 LYS 56 HZ1 LYS 56 -6.917 -2.470 11.268 288 HZ2 LYS 56 HZ2 LYS 56 -6.402 -1.115 10.395 289 HZ3 LYS 56 HZ3 LYS 56 -5.281 -2.049 11.246 290 H ARG 57 H ARG 57 -5.939 -4.667 4.415 291 HA ARG 57 HA ARG 57 -8.540 -5.401 3.371 292 HB2 ARG 57 HB2 ARG 57 -6.444 -3.531 2.199 293 HB3 ARG 57 HB3 ARG 57 -8.109 -3.684 1.647 294 HG2 ARG 57 HG2 ARG 57 -7.193 -2.650 4.338 295 HG3 ARG 57 HG3 ARG 57 -7.845 -1.692 3.009 296 HD2 ARG 57 HD2 ARG 57 -9.384 -3.844 4.508 297 HD3 ARG 57 HD3 ARG 57 -9.480 -2.115 4.845 298 HE ARG 57 HE ARG 57 -10.055 -2.626 2.108 299 HH11 ARG 57 HH11 ARG 57 -11.532 -3.002 5.284 300 HH12 ARG 57 HH12 ARG 57 -13.141 -2.760 4.684 301 HH21 ARG 57 HH21 ARG 57 -12.175 -2.308 1.366 302 HH22 ARG 57 HH22 ARG 57 -13.504 -2.388 2.479 303 H PHE 58 H PHE 58 -5.145 -5.856 2.390 304 HA PHE 58 HA PHE 58 -5.950 -7.427 0.032 305 HB2 PHE 58 HB2 PHE 58 -3.267 -6.242 0.860 306 HB3 PHE 58 HB3 PHE 58 -3.502 -7.215 -0.591 307 HD1 PHE 58 HD1 PHE 58 -4.340 -3.973 1.035 308 HD2 PHE 58 HD2 PHE 58 -4.552 -6.262 -2.568 309 HE1 PHE 58 HE1 PHE 58 -5.016 -1.959 -0.206 310 HE2 PHE 58 HE2 PHE 58 -5.240 -4.250 -3.791 311 HZ PHE 58 HZ PHE 58 -5.475 -2.099 -2.625 312 H LYS 59 H LYS 59 -5.344 -8.078 3.230 313 HA LYS 59 HA LYS 59 -4.727 -9.858 4.484 314 HB2 LYS 59 HB2 LYS 59 -5.653 -11.264 1.958 315 HB3 LYS 59 HB3 LYS 59 -5.101 -12.184 3.347 316 HG2 LYS 59 HG2 LYS 59 -7.111 -12.004 4.363 317 HG3 LYS 59 HG3 LYS 59 -7.088 -10.250 4.230 318 HD2 LYS 59 HD2 LYS 59 -7.995 -12.130 2.018 319 HD3 LYS 59 HD3 LYS 59 -9.079 -11.320 3.155 320 HE2 LYS 59 HE2 LYS 59 -8.384 -9.144 2.338 321 HE3 LYS 59 HE3 LYS 59 -7.180 -9.882 1.277 322 HZ1 LYS 59 HZ1 LYS 59 -8.955 -10.925 0.027 323 HZ2 LYS 59 HZ2 LYS 59 -9.186 -9.258 0.080 324 HZ3 LYS 59 HZ3 LYS 59 -10.120 -10.265 1.058 325 H SER 60 H SER 60 -2.624 -8.503 3.419 326 HA SER 60 HA SER 60 -0.560 -10.585 3.035 327 HB2 SER 60 HB2 SER 60 -0.782 -7.973 1.478 328 HB3 SER 60 HB3 SER 60 0.541 -9.136 1.350 329 HG SER 60 HG SER 60 -2.186 -9.692 0.762 330 H HIS 61 H HIS 61 1.154 -10.284 4.394 331 HA HIS 61 HA HIS 61 0.997 -8.482 6.550 332 HB2 HIS 61 HB2 HIS 61 3.191 -10.344 5.594 333 HB3 HIS 61 HB3 HIS 61 3.444 -9.301 6.990 334 HD1 HIS 61 HD1 HIS 61 2.216 -9.893 9.161 335 HD2 HIS 61 HD2 HIS 61 1.363 -12.484 6.022 336 HE1 HIS 61 HE1 HIS 61 1.071 -11.867 10.207 337 HE2 HIS 61 HE2 HIS 61 0.433 -13.346 8.275 338 H THR 62 H THR 62 2.273 -6.766 7.192 339 HA THR 62 HA THR 62 2.542 -4.735 5.302 340 HB THR 62 HB THR 62 3.590 -3.421 7.206 341 HG1 THR 62 HG1 THR 62 4.615 -4.814 8.500 342 HG21 THR 62 HG21 THR 62 1.142 -3.497 6.914 343 HG22 THR 62 HG22 THR 62 1.592 -3.411 8.618 344 HG23 THR 62 HG23 THR 62 1.067 -4.946 7.921 345 H ASP 63 H ASP 63 4.898 -6.982 6.502 346 HA ASP 63 HA ASP 63 7.308 -5.664 5.903 347 HB2 ASP 63 HB2 ASP 63 7.061 -7.734 7.310 348 HB3 ASP 63 HB3 ASP 63 6.739 -8.659 5.847 349 H GLN 64 H GLN 64 5.094 -7.541 3.904 350 HA GLN 64 HA GLN 64 6.882 -7.593 1.585 351 HB2 GLN 64 HB2 GLN 64 4.071 -8.726 1.912 352 HB3 GLN 64 HB3 GLN 64 5.170 -9.042 0.568 353 HG2 GLN 64 HG2 GLN 64 6.752 -10.124 2.173 354 HG3 GLN 64 HG3 GLN 64 5.575 -9.875 3.460 355 HE21 GLN 64 HE21 GLN 64 3.275 -10.573 1.666 356 HE22 GLN 64 HE22 GLN 64 3.351 -12.285 1.503 357 H LEU 65 H LEU 65 4.578 -5.497 2.855 358 HA LEU 65 HA LEU 65 3.396 -4.589 0.339 359 HB2 LEU 65 HB2 LEU 65 3.074 -3.504 3.166 360 HB3 LEU 65 HB3 LEU 65 2.129 -3.011 1.769 361 HG LEU 65 HG LEU 65 2.100 -5.780 3.012 362 HD11 LEU 65 HD11 LEU 65 -0.129 -5.220 3.816 363 HD12 LEU 65 HD12 LEU 65 0.024 -3.588 3.164 364 HD13 LEU 65 HD13 LEU 65 1.073 -4.117 4.479 365 HD21 LEU 65 HD21 LEU 65 0.395 -4.638 0.782 366 HD22 LEU 65 HD22 LEU 65 0.168 -6.208 1.553 367 HD23 LEU 65 HD23 LEU 65 1.627 -5.894 0.622 368 H VAL 66 H VAL 66 5.302 -3.808 -0.723 369 HA VAL 66 HA VAL 66 6.495 -1.353 0.412 370 HB VAL 66 HB VAL 66 8.222 -1.538 -1.398 371 HG11 VAL 66 HG11 VAL 66 9.473 -3.427 -0.385 372 HG12 VAL 66 HG12 VAL 66 7.994 -3.991 0.398 373 HG13 VAL 66 HG13 VAL 66 8.692 -2.433 0.846 374 HG21 VAL 66 HG21 VAL 66 6.971 -2.832 -3.087 375 HG22 VAL 66 HG22 VAL 66 6.935 -4.234 -2.016 376 HG23 VAL 66 HG23 VAL 66 8.471 -3.658 -2.666 377 H LEU 67 H LEU 67 5.505 0.445 -0.112 378 HA LEU 67 HA LEU 67 3.901 0.791 -2.513 379 HB2 LEU 67 HB2 LEU 67 4.730 2.715 -0.300 380 HB3 LEU 67 HB3 LEU 67 3.703 3.176 -1.650 381 HG LEU 67 HG LEU 67 2.982 1.078 0.440 382 HD11 LEU 67 HD11 LEU 67 1.961 3.919 0.127 383 HD12 LEU 67 HD12 LEU 67 3.042 3.341 1.398 384 HD13 LEU 67 HD13 LEU 67 1.394 2.727 1.301 385 HD21 LEU 67 HD21 LEU 67 0.723 1.168 -0.548 386 HD22 LEU 67 HD22 LEU 67 1.909 0.612 -1.724 387 HD23 LEU 67 HD23 LEU 67 1.301 2.269 -1.801 388 H ILE 68 H ILE 68 4.520 1.943 -4.304 389 HA ILE 68 HA ILE 68 7.150 3.288 -4.330 390 HB ILE 68 HB ILE 68 5.916 1.720 -6.656 391 HG12 ILE 68 HG12 ILE 68 8.286 0.555 -6.511 392 HG13 ILE 68 HG13 ILE 68 8.324 1.175 -4.873 393 HG21 ILE 68 HG21 ILE 68 6.947 3.750 -7.529 394 HG22 ILE 68 HG22 ILE 68 7.949 2.367 -7.956 395 HG23 ILE 68 HG23 ILE 68 8.436 3.434 -6.635 396 HD11 ILE 68 HD11 ILE 68 7.610 -1.127 -4.919 397 HD12 ILE 68 HD12 ILE 68 6.279 -0.729 -6.003 398 HD13 ILE 68 HD13 ILE 68 6.295 -0.098 -4.356 399 H PHE 69 H PHE 69 7.073 5.315 -4.952 400 HA PHE 69 HA PHE 69 5.239 6.398 -6.868 401 HB2 PHE 69 HB2 PHE 69 3.986 6.434 -4.557 402 HB3 PHE 69 HB3 PHE 69 5.098 7.726 -4.128 403 HD1 PHE 69 HD1 PHE 69 5.053 9.903 -5.475 404 HD2 PHE 69 HD2 PHE 69 2.110 6.837 -6.007 405 HE1 PHE 69 HE1 PHE 69 3.566 11.511 -6.592 406 HE2 PHE 69 HE2 PHE 69 0.632 8.461 -7.121 407 HZ PHE 69 HZ PHE 69 1.359 10.796 -7.416 408 H ALA 70 H ALA 70 5.997 8.391 -7.651 409 HA ALA 70 HA ALA 70 7.543 9.888 -8.335 410 HB1 ALA 70 HB1 ALA 70 7.426 10.805 -6.041 411 HB2 ALA 70 HB2 ALA 70 9.053 10.962 -6.706 412 HB3 ALA 70 HB3 ALA 70 8.697 9.695 -5.527 413 H GLY 71 H GLY 71 7.981 6.893 -8.382 414 HA2 GLY 71 HA2 GLY 71 9.497 5.564 -9.500 415 HA3 GLY 71 HA3 GLY 71 10.649 6.888 -9.512 416 H LYS 72 H LYS 72 9.538 6.405 -6.343 417 HA LYS 72 HA LYS 72 11.818 4.645 -5.656 418 HB2 LYS 72 HB2 LYS 72 12.509 6.144 -3.869 419 HB3 LYS 72 HB3 LYS 72 12.506 7.011 -5.391 420 HG2 LYS 72 HG2 LYS 72 11.525 8.635 -4.086 421 HG3 LYS 72 HG3 LYS 72 10.062 7.760 -4.532 422 HD2 LYS 72 HD2 LYS 72 10.099 8.269 -2.105 423 HD3 LYS 72 HD3 LYS 72 10.124 6.527 -2.394 424 HE2 LYS 72 HE2 LYS 72 12.577 6.517 -2.052 425 HE3 LYS 72 HE3 LYS 72 12.530 8.247 -1.711 426 HZ1 LYS 72 HZ1 LYS 72 12.596 6.847 0.285 427 HZ2 LYS 72 HZ2 LYS 72 11.108 6.177 -0.139 428 HZ3 LYS 72 HZ3 LYS 72 11.218 7.815 0.224 429 H ILE 73 H ILE 73 11.624 3.579 -3.603 430 HA ILE 73 HA ILE 73 8.916 2.774 -2.998 431 HB ILE 73 HB ILE 73 9.780 1.082 -1.495 432 HG12 ILE 73 HG12 ILE 73 11.670 2.361 -0.430 433 HG13 ILE 73 HG13 ILE 73 12.113 0.731 -0.900 434 HG21 ILE 73 HG21 ILE 73 11.418 1.186 -4.047 435 HG22 ILE 73 HG22 ILE 73 9.793 0.527 -3.858 436 HG23 ILE 73 HG23 ILE 73 11.157 -0.256 -3.061 437 HD11 ILE 73 HD11 ILE 73 13.901 2.263 -1.332 438 HD12 ILE 73 HD12 ILE 73 12.856 3.271 -2.331 439 HD13 ILE 73 HD13 ILE 73 13.278 1.640 -2.860 440 H LEU 74 H LEU 74 7.646 3.534 -1.451 441 HA LEU 74 HA LEU 74 8.494 5.551 0.452 442 HB2 LEU 74 HB2 LEU 74 5.747 4.248 0.272 443 HB3 LEU 74 HB3 LEU 74 6.157 5.817 0.944 444 HG LEU 74 HG LEU 74 6.119 5.066 -2.002 445 HD11 LEU 74 HD11 LEU 74 3.881 5.349 -1.045 446 HD12 LEU 74 HD12 LEU 74 4.249 6.662 -2.161 447 HD13 LEU 74 HD13 LEU 74 4.327 6.941 -0.418 448 HD21 LEU 74 HD21 LEU 74 6.633 7.427 -2.484 449 HD22 LEU 74 HD22 LEU 74 7.948 6.656 -1.599 450 HD23 LEU 74 HD23 LEU 74 6.839 7.745 -0.759 451 H LYS 75 H LYS 75 9.107 5.079 2.481 452 HA LYS 75 HA LYS 75 8.533 2.424 3.659 453 HB2 LYS 75 HB2 LYS 75 11.042 4.113 4.059 454 HB3 LYS 75 HB3 LYS 75 10.732 2.534 4.772 455 HG2 LYS 75 HG2 LYS 75 11.223 3.163 1.841 456 HG3 LYS 75 HG3 LYS 75 12.267 2.247 2.932 457 HD2 LYS 75 HD2 LYS 75 9.518 1.381 1.919 458 HD3 LYS 75 HD3 LYS 75 11.069 0.738 1.389 459 HE2 LYS 75 HE2 LYS 75 9.931 0.477 4.194 460 HE3 LYS 75 HE3 LYS 75 9.913 -0.786 2.967 461 HZ1 LYS 75 HZ1 LYS 75 12.350 0.432 4.135 462 HZ2 LYS 75 HZ2 LYS 75 12.310 -0.818 2.998 463 HZ3 LYS 75 HZ3 LYS 75 11.705 -1.071 4.559 464 H ASP 76 H ASP 76 9.404 2.767 6.171 465 HA ASP 76 HA ASP 76 7.237 3.877 7.512 466 HB2 ASP 76 HB2 ASP 76 8.573 3.500 9.600 467 HB3 ASP 76 HB3 ASP 76 8.583 2.114 8.521 468 H GLN 77 H GLN 77 10.446 5.260 6.924 469 HA GLN 77 HA GLN 77 10.110 7.589 8.546 470 HB2 GLN 77 HB2 GLN 77 12.164 8.406 7.416 471 HB3 GLN 77 HB3 GLN 77 12.349 6.767 8.031 472 HG2 GLN 77 HG2 GLN 77 12.128 5.830 5.808 473 HG3 GLN 77 HG3 GLN 77 11.711 7.407 5.131 474 HE21 GLN 77 HE21 GLN 77 13.362 8.975 4.910 475 HE22 GLN 77 HE22 GLN 77 15.036 8.549 4.935 476 H ASP 78 H ASP 78 9.029 6.730 5.392 477 HA ASP 78 HA ASP 78 8.877 9.407 4.299 478 HB2 ASP 78 HB2 ASP 78 7.908 6.714 3.258 479 HB3 ASP 78 HB3 ASP 78 7.679 8.226 2.380 480 H THR 79 H THR 79 7.043 10.592 3.956 481 HA THR 79 HA THR 79 4.426 9.504 4.831 482 HB THR 79 HB THR 79 3.648 11.869 4.888 483 HG1 THR 79 HG1 THR 79 6.249 12.878 4.705 484 HG21 THR 79 HG21 THR 79 4.534 10.986 7.003 485 HG22 THR 79 HG22 THR 79 4.928 12.695 6.842 486 HG23 THR 79 HG23 THR 79 6.167 11.476 6.547 487 H LEU 80 H LEU 80 2.796 9.452 3.348 488 HA LEU 80 HA LEU 80 3.393 9.361 0.598 489 HB2 LEU 80 HB2 LEU 80 0.778 9.344 0.384 490 HB3 LEU 80 HB3 LEU 80 1.616 7.996 1.114 491 HG LEU 80 HG LEU 80 1.016 9.038 3.407 492 HD11 LEU 80 HD11 LEU 80 0.378 11.275 2.723 493 HD12 LEU 80 HD12 LEU 80 -0.972 10.469 3.513 494 HD13 LEU 80 HD13 LEU 80 -0.951 10.638 1.755 495 HD21 LEU 80 HD21 LEU 80 -0.049 7.010 2.565 496 HD22 LEU 80 HD22 LEU 80 -1.227 7.968 1.663 497 HD23 LEU 80 HD23 LEU 80 -1.219 8.012 3.428 498 H SER 81 H SER 81 2.044 11.909 2.613 499 HA SER 81 HA SER 81 1.137 13.676 0.627 500 HB2 SER 81 HB2 SER 81 0.417 13.835 2.960 501 HB3 SER 81 HB3 SER 81 2.063 14.197 3.480 502 HG SER 81 HG SER 81 1.665 16.202 3.071 503 H GLN 82 H GLN 82 4.371 13.285 2.096 504 HA GLN 82 HA GLN 82 5.621 15.634 1.157 505 HB2 GLN 82 HB2 GLN 82 6.629 14.112 2.848 506 HB3 GLN 82 HB3 GLN 82 6.865 12.882 1.614 507 HG2 GLN 82 HG2 GLN 82 8.965 13.989 2.086 508 HG3 GLN 82 HG3 GLN 82 8.459 14.380 0.446 509 HE21 GLN 82 HE21 GLN 82 8.849 15.628 3.698 510 HE22 GLN 82 HE22 GLN 82 8.792 17.302 3.268 511 H HIS 83 H HIS 83 4.943 12.564 -0.440 512 HA HIS 83 HA HIS 83 6.526 13.227 -2.828 513 HB2 HIS 83 HB2 HIS 83 4.841 10.779 -2.143 514 HB3 HIS 83 HB3 HIS 83 5.798 10.953 -3.618 515 HD1 HIS 83 HD1 HIS 83 6.163 10.525 0.091 516 HD2 HIS 83 HD2 HIS 83 8.558 10.608 -3.300 517 HE1 HIS 83 HE1 HIS 83 8.433 9.834 0.858 518 HE2 HIS 83 HE2 HIS 83 9.902 10.143 -1.147 519 H GLY 84 H GLY 84 3.837 14.543 -1.891 520 HA2 GLY 84 HA2 GLY 84 2.351 15.871 -3.033 521 HA3 GLY 84 HA3 GLY 84 2.990 15.247 -4.547 522 H ILE 85 H ILE 85 1.911 12.964 -2.181 523 HA ILE 85 HA ILE 85 -0.266 12.075 -3.903 524 HB ILE 85 HB ILE 85 0.703 10.954 -1.229 525 HG12 ILE 85 HG12 ILE 85 1.253 9.886 -4.043 526 HG13 ILE 85 HG13 ILE 85 2.389 10.874 -3.134 527 HG21 ILE 85 HG21 ILE 85 -0.595 8.922 -1.801 528 HG22 ILE 85 HG22 ILE 85 -1.197 9.705 -3.264 529 HG23 ILE 85 HG23 ILE 85 -1.646 10.334 -1.678 530 HD11 ILE 85 HD11 ILE 85 2.943 8.522 -3.041 531 HD12 ILE 85 HD12 ILE 85 1.382 8.165 -2.310 532 HD13 ILE 85 HD13 ILE 85 2.558 9.149 -1.439 533 H HIS 86 H HIS 86 -2.249 12.779 -3.654 534 HA HIS 86 HA HIS 86 -3.300 13.757 -1.089 535 HB2 HIS 86 HB2 HIS 86 -3.387 15.292 -3.740 536 HB3 HIS 86 HB3 HIS 86 -4.361 15.703 -2.331 537 HD1 HIS 86 HD1 HIS 86 -3.104 16.668 -0.266 538 HD2 HIS 86 HD2 HIS 86 -0.741 16.219 -3.652 539 HE1 HIS 86 HE1 HIS 86 -1.039 18.012 0.171 540 HE2 HIS 86 HE2 HIS 86 0.368 17.747 -1.894 541 H ASP 87 H ASP 87 -5.716 14.460 -1.730 542 HA ASP 87 HA ASP 87 -7.388 12.364 -2.315 543 HB2 ASP 87 HB2 ASP 87 -8.227 14.366 -1.262 544 HB3 ASP 87 HB3 ASP 87 -7.695 15.381 -2.593 545 H GLY 88 H GLY 88 -7.388 11.147 -4.143 546 HA2 GLY 88 HA2 GLY 88 -8.184 10.915 -6.409 547 HA3 GLY 88 HA3 GLY 88 -7.505 12.482 -6.797 548 H LEU 89 H LEU 89 -5.031 11.603 -5.195 549 HA LEU 89 HA LEU 89 -3.566 10.596 -7.473 550 HB2 LEU 89 HB2 LEU 89 -2.733 11.392 -4.664 551 HB3 LEU 89 HB3 LEU 89 -1.606 10.607 -5.755 552 HG LEU 89 HG LEU 89 -1.242 13.031 -5.743 553 HD11 LEU 89 HD11 LEU 89 -2.400 12.103 -8.385 554 HD12 LEU 89 HD12 LEU 89 -0.751 11.844 -7.810 555 HD13 LEU 89 HD13 LEU 89 -1.317 13.476 -8.153 556 HD21 LEU 89 HD21 LEU 89 -2.896 14.633 -6.585 557 HD22 LEU 89 HD22 LEU 89 -3.501 13.798 -5.157 558 HD23 LEU 89 HD23 LEU 89 -4.088 13.341 -6.757 559 H THR 90 H THR 90 -2.653 8.629 -7.704 560 HA THR 90 HA THR 90 -3.667 6.433 -6.002 561 HB THR 90 HB THR 90 -3.063 6.443 -8.998 562 HG1 THR 90 HG1 THR 90 -5.152 7.372 -7.731 563 HG21 THR 90 HG21 THR 90 -4.314 4.257 -7.278 564 HG22 THR 90 HG22 THR 90 -2.695 4.201 -7.985 565 HG23 THR 90 HG23 THR 90 -4.121 4.206 -9.030 566 H VAL 91 H VAL 91 -2.145 5.309 -4.979 567 HA VAL 91 HA VAL 91 0.694 5.607 -5.654 568 HB VAL 91 HB VAL 91 -0.502 4.152 -3.240 569 HG11 VAL 91 HG11 VAL 91 2.279 5.312 -3.701 570 HG12 VAL 91 HG12 VAL 91 1.845 3.602 -3.652 571 HG13 VAL 91 HG13 VAL 91 1.714 4.583 -2.193 572 HG21 VAL 91 HG21 VAL 91 -1.334 6.448 -3.231 573 HG22 VAL 91 HG22 VAL 91 0.306 7.076 -3.418 574 HG23 VAL 91 HG23 VAL 91 -0.152 6.221 -1.941 575 H HIS 92 H HIS 92 1.992 3.869 -6.084 576 HA HIS 92 HA HIS 92 0.747 1.444 -7.157 577 HB2 HIS 92 HB2 HIS 92 3.712 2.207 -7.057 578 HB3 HIS 92 HB3 HIS 92 2.972 0.949 -8.044 579 HD1 HIS 92 HD1 HIS 92 2.540 1.634 -10.395 580 HD2 HIS 92 HD2 HIS 92 2.685 4.911 -7.859 581 HE1 HIS 92 HE1 HIS 92 2.359 3.642 -11.877 582 HE2 HIS 92 HE2 HIS 92 2.280 5.592 -10.302 583 H LEU 93 H LEU 93 0.860 -0.522 -6.086 584 HA LEU 93 HA LEU 93 2.758 -0.798 -3.820 585 HB2 LEU 93 HB2 LEU 93 0.551 -0.501 -2.837 586 HB3 LEU 93 HB3 LEU 93 -0.140 -1.706 -3.902 587 HG LEU 93 HG LEU 93 1.314 -3.451 -2.754 588 HD11 LEU 93 HD11 LEU 93 1.856 -1.256 -0.749 589 HD12 LEU 93 HD12 LEU 93 3.034 -1.987 -1.838 590 HD13 LEU 93 HD13 LEU 93 2.284 -2.959 -0.580 591 HD21 LEU 93 HD21 LEU 93 -1.029 -3.266 -2.172 592 HD22 LEU 93 HD22 LEU 93 -0.683 -1.987 -1.009 593 HD23 LEU 93 HD23 LEU 93 -0.085 -3.627 -0.735 594 H VAL 94 H VAL 94 3.964 -2.516 -3.912 595 HA VAL 94 HA VAL 94 3.265 -4.773 -5.703 596 HB VAL 94 HB VAL 94 6.072 -3.785 -4.969 597 HG11 VAL 94 HG11 VAL 94 5.243 -6.048 -6.835 598 HG12 VAL 94 HG12 VAL 94 6.006 -6.236 -5.254 599 HG13 VAL 94 HG13 VAL 94 6.894 -5.480 -6.577 600 HG21 VAL 94 HG21 VAL 94 4.625 -3.627 -7.647 601 HG22 VAL 94 HG22 VAL 94 6.296 -3.142 -7.348 602 HG23 VAL 94 HG23 VAL 94 4.975 -2.266 -6.576 603 H ILE 95 H ILE 95 2.912 -6.598 -4.650 604 HA ILE 95 HA ILE 95 3.951 -6.956 -1.897 605 HB ILE 95 HB ILE 95 1.509 -8.434 -2.973 606 HG12 ILE 95 HG12 ILE 95 1.411 -5.724 -1.535 607 HG13 ILE 95 HG13 ILE 95 1.000 -5.988 -3.222 608 HG21 ILE 95 HG21 ILE 95 0.990 -8.723 -0.603 609 HG22 ILE 95 HG22 ILE 95 2.328 -7.675 -0.136 610 HG23 ILE 95 HG23 ILE 95 2.652 -9.235 -0.896 611 HD11 ILE 95 HD11 ILE 95 -0.482 -7.115 -0.845 612 HD12 ILE 95 HD12 ILE 95 -0.894 -7.389 -2.538 613 HD13 ILE 95 HD13 ILE 95 -0.988 -5.766 -1.860 614 H LYS 96 H LYS 96 4.906 -8.938 -1.432 615 HA LYS 96 HA LYS 96 6.023 -10.512 -3.505 616 HB2 LYS 96 HB2 LYS 96 7.132 -10.251 -1.334 617 HB3 LYS 96 HB3 LYS 96 5.788 -11.034 -0.515 618 HG2 LYS 96 HG2 LYS 96 7.750 -12.518 -0.726 619 HG3 LYS 96 HG3 LYS 96 6.331 -13.172 -1.547 620 HD2 LYS 96 HD2 LYS 96 7.252 -12.339 -3.722 621 HD3 LYS 96 HD3 LYS 96 8.694 -11.775 -2.872 622 HE2 LYS 96 HE2 LYS 96 9.278 -14.063 -2.262 623 HE3 LYS 96 HE3 LYS 96 7.767 -14.672 -2.945 624 HZ1 LYS 96 HZ1 LYS 96 9.919 -13.336 -4.493 625 HZ2 LYS 96 HZ2 LYS 96 8.492 -13.980 -5.122 626 HZ3 LYS 96 HZ3 LYS 96 9.648 -15.002 -4.436 627 H THR 97 H THR 97 3.024 -10.800 -1.690 628 HA THR 97 HA THR 97 2.348 -13.458 -2.455 629 HB THR 97 HB THR 97 0.045 -12.909 -1.817 630 HG1 THR 97 HG1 THR 97 -0.302 -10.657 -1.026 631 HG21 THR 97 HG21 THR 97 1.619 -13.377 0.026 632 HG22 THR 97 HG22 THR 97 0.376 -12.227 0.521 633 HG23 THR 97 HG23 THR 97 2.000 -11.658 0.136 634 H GLN 98 H GLN 98 2.074 -14.082 -4.526 635 HA GLN 98 HA GLN 98 1.800 -12.148 -6.645 636 HB2 GLN 98 HB2 GLN 98 2.059 -14.027 -8.219 637 HB3 GLN 98 HB3 GLN 98 3.334 -13.993 -7.019 638 HG2 GLN 98 HG2 GLN 98 0.954 -15.865 -6.883 639 HG3 GLN 98 HG3 GLN 98 2.481 -16.282 -7.651 640 HE21 GLN 98 HE21 GLN 98 1.170 -17.563 -5.418 641 HE22 GLN 98 HE22 GLN 98 2.277 -17.516 -4.093 642 H ASN 99 H ASN 99 -0.278 -14.765 -5.365 643 HA ASN 99 HA ASN 99 -2.563 -13.697 -6.934 644 HB2 ASN 99 HB2 ASN 99 -1.826 -16.628 -6.520 645 HB3 ASN 99 HB3 ASN 99 -3.370 -16.095 -7.173 646 HD21 ASN 99 HD21 ASN 99 -1.371 -17.773 -8.420 647 HD22 ASN 99 HD22 ASN 99 -0.903 -16.980 -9.880 648 H ARG 100 H ARG 100 -1.912 -13.040 -4.244 649 HA ARG 100 HA ARG 100 -4.158 -14.206 -2.705 650 HB2 ARG 100 HB2 ARG 100 -2.052 -14.149 -1.483 651 HB3 ARG 100 HB3 ARG 100 -1.798 -12.466 -1.890 652 HG2 ARG 100 HG2 ARG 100 -2.397 -12.729 0.458 653 HG3 ARG 100 HG3 ARG 100 -3.609 -11.784 -0.399 654 HD2 ARG 100 HD2 ARG 100 -4.057 -14.743 -0.047 655 HD3 ARG 100 HD3 ARG 100 -4.307 -13.669 1.328 656 HE ARG 100 HE ARG 100 -5.731 -12.501 -0.699 657 HH11 ARG 100 HH11 ARG 100 -5.777 -15.696 0.765 658 HH12 ARG 100 HH12 ARG 100 -7.479 -15.905 0.538 659 HH21 ARG 100 HH21 ARG 100 -7.971 -12.798 -0.979 660 HH22 ARG 100 HH22 ARG 100 -8.726 -14.264 -0.448 661 HA PRO 101 HA PRO 101 -6.146 -10.174 -3.780 662 HB2 PRO 101 HB2 PRO 101 -8.569 -11.097 -4.527 663 HB3 PRO 101 HB3 PRO 101 -7.168 -11.273 -5.594 664 HG2 PRO 101 HG2 PRO 101 -8.531 -13.334 -3.899 665 HG3 PRO 101 HG3 PRO 101 -7.749 -13.515 -5.482 666 HD2 PRO 101 HD2 PRO 101 -6.588 -14.097 -2.937 667 HD3 PRO 101 HD3 PRO 101 -5.754 -14.064 -4.500 Start of MODEL 9 1 HA PRO 23 HA PRO 23 -13.758 18.137 9.144 2 HB2 PRO 23 HB2 PRO 23 -11.343 16.864 9.853 3 HB3 PRO 23 HB3 PRO 23 -11.713 18.579 10.104 4 HG2 PRO 23 HG2 PRO 23 -12.004 16.280 12.022 5 HG3 PRO 23 HG3 PRO 23 -11.404 17.925 12.328 6 HD2 PRO 23 HD2 PRO 23 -13.888 17.247 13.058 7 HD3 PRO 23 HD3 PRO 23 -13.581 18.846 12.352 8 H LYS 24 H LYS 24 -13.023 16.777 7.382 9 HA LYS 24 HA LYS 24 -13.892 13.980 7.478 10 HB2 LYS 24 HB2 LYS 24 -14.290 15.494 5.435 11 HB3 LYS 24 HB3 LYS 24 -12.559 15.406 5.123 12 HG2 LYS 24 HG2 LYS 24 -12.937 12.798 5.179 13 HG3 LYS 24 HG3 LYS 24 -14.634 13.207 4.945 14 HD2 LYS 24 HD2 LYS 24 -12.328 13.912 3.091 15 HD3 LYS 24 HD3 LYS 24 -13.556 12.675 2.812 16 HE2 LYS 24 HE2 LYS 24 -15.293 14.442 2.746 17 HE3 LYS 24 HE3 LYS 24 -14.046 15.670 2.987 18 HZ1 LYS 24 HZ1 LYS 24 -14.561 15.513 0.675 19 HZ2 LYS 24 HZ2 LYS 24 -14.319 13.841 0.668 20 HZ3 LYS 24 HZ3 LYS 24 -13.010 14.877 0.906 21 H ILE 25 H ILE 25 -12.516 12.239 7.165 22 HA ILE 25 HA ILE 25 -9.684 12.535 7.853 23 HB ILE 25 HB ILE 25 -11.266 10.828 8.899 24 HG12 ILE 25 HG12 ILE 25 -8.803 9.591 7.596 25 HG13 ILE 25 HG13 ILE 25 -8.726 10.699 8.960 26 HG21 ILE 25 HG21 ILE 25 -12.445 10.106 6.860 27 HG22 ILE 25 HG22 ILE 25 -11.713 8.733 7.687 28 HG23 ILE 25 HG23 ILE 25 -10.953 9.389 6.236 29 HD11 ILE 25 HD11 ILE 25 -10.070 8.011 8.939 30 HD12 ILE 25 HD12 ILE 25 -10.010 9.129 10.305 31 HD13 ILE 25 HD13 ILE 25 -8.522 8.418 9.680 32 H MET 26 H MET 26 -8.047 11.290 6.452 33 HA MET 26 HA MET 26 -8.398 12.229 3.717 34 HB2 MET 26 HB2 MET 26 -6.012 10.841 5.029 35 HB3 MET 26 HB3 MET 26 -6.022 11.518 3.400 36 HG2 MET 26 HG2 MET 26 -6.337 13.047 5.987 37 HG3 MET 26 HG3 MET 26 -4.942 13.063 4.902 38 HE1 MET 26 HE1 MET 26 -4.992 15.750 4.792 39 HE2 MET 26 HE2 MET 26 -6.348 15.727 5.922 40 HE3 MET 26 HE3 MET 26 -6.459 16.665 4.433 41 H LYS 27 H LYS 27 -9.632 11.016 2.474 42 HA LYS 27 HA LYS 27 -9.679 8.113 2.586 43 HB2 LYS 27 HB2 LYS 27 -11.124 9.960 0.648 44 HB3 LYS 27 HB3 LYS 27 -11.486 8.271 0.969 45 HG2 LYS 27 HG2 LYS 27 -11.899 10.616 2.843 46 HG3 LYS 27 HG3 LYS 27 -13.147 9.679 2.023 47 HD2 LYS 27 HD2 LYS 27 -11.291 8.699 4.223 48 HD3 LYS 27 HD3 LYS 27 -13.014 9.044 4.374 49 HE2 LYS 27 HE2 LYS 27 -11.797 6.837 2.666 50 HE3 LYS 27 HE3 LYS 27 -12.579 6.614 4.227 51 HZ1 LYS 27 HZ1 LYS 27 -14.630 7.495 3.219 52 HZ2 LYS 27 HZ2 LYS 27 -14.098 6.061 2.508 53 HZ3 LYS 27 HZ3 LYS 27 -13.855 7.533 1.713 54 H VAL 28 H VAL 28 -7.971 7.141 1.689 55 HA VAL 28 HA VAL 28 -6.659 8.248 -0.717 56 HB VAL 28 HB VAL 28 -5.541 6.296 1.362 57 HG11 VAL 28 HG11 VAL 28 -4.458 6.034 -0.801 58 HG12 VAL 28 HG12 VAL 28 -3.346 6.794 0.337 59 HG13 VAL 28 HG13 VAL 28 -4.148 7.769 -0.899 60 HG21 VAL 28 HG21 VAL 28 -5.040 9.292 1.125 61 HG22 VAL 28 HG22 VAL 28 -4.240 8.187 2.248 62 HG23 VAL 28 HG23 VAL 28 -5.970 8.483 2.395 63 H THR 29 H THR 29 -7.208 7.189 -2.547 64 HA THR 29 HA THR 29 -8.070 4.412 -2.567 65 HB THR 29 HB THR 29 -7.522 6.333 -4.889 66 HG1 THR 29 HG1 THR 29 -10.018 5.595 -3.709 67 HG21 THR 29 HG21 THR 29 -8.928 4.800 -6.236 68 HG22 THR 29 HG22 THR 29 -9.049 3.694 -4.866 69 HG23 THR 29 HG23 THR 29 -7.487 3.974 -5.638 70 H VAL 30 H VAL 30 -6.635 2.783 -2.666 71 HA VAL 30 HA VAL 30 -3.878 3.201 -3.620 72 HB VAL 30 HB VAL 30 -5.099 1.064 -1.805 73 HG11 VAL 30 HG11 VAL 30 -3.376 -0.001 -3.182 74 HG12 VAL 30 HG12 VAL 30 -2.804 0.159 -1.524 75 HG13 VAL 30 HG13 VAL 30 -2.214 1.263 -2.773 76 HG21 VAL 30 HG21 VAL 30 -4.739 3.228 -0.722 77 HG22 VAL 30 HG22 VAL 30 -3.055 3.252 -1.247 78 HG23 VAL 30 HG23 VAL 30 -3.604 2.034 -0.092 79 H LYS 31 H LYS 31 -3.452 2.469 -5.576 80 HA LYS 31 HA LYS 31 -5.278 0.627 -6.952 81 HB2 LYS 31 HB2 LYS 31 -4.418 2.960 -7.883 82 HB3 LYS 31 HB3 LYS 31 -2.942 2.089 -8.267 83 HG2 LYS 31 HG2 LYS 31 -5.727 1.427 -9.306 84 HG3 LYS 31 HG3 LYS 31 -4.476 2.283 -10.210 85 HD2 LYS 31 HD2 LYS 31 -3.064 0.275 -10.211 86 HD3 LYS 31 HD3 LYS 31 -4.221 -0.570 -9.184 87 HE2 LYS 31 HE2 LYS 31 -5.913 -0.396 -11.014 88 HE3 LYS 31 HE3 LYS 31 -4.671 0.324 -12.044 89 HZ1 LYS 31 HZ1 LYS 31 -4.516 -2.366 -10.797 90 HZ2 LYS 31 HZ2 LYS 31 -3.370 -1.682 -11.837 91 HZ3 LYS 31 HZ3 LYS 31 -4.914 -2.061 -12.410 92 H THR 32 H THR 32 -4.721 -1.419 -7.016 93 HA THR 32 HA THR 32 -1.914 -2.333 -6.704 94 HB THR 32 HB THR 32 -2.651 -4.152 -5.342 95 HG1 THR 32 HG1 THR 32 -5.397 -3.793 -5.586 96 HG21 THR 32 HG21 THR 32 -2.918 -2.010 -4.108 97 HG22 THR 32 HG22 THR 32 -4.049 -3.244 -3.548 98 HG23 THR 32 HG23 THR 32 -4.609 -1.948 -4.608 99 HA PRO 33 HA PRO 33 -2.495 -4.598 -10.587 100 HB2 PRO 33 HB2 PRO 33 -1.313 -7.039 -10.104 101 HB3 PRO 33 HB3 PRO 33 -0.398 -5.543 -10.343 102 HG2 PRO 33 HG2 PRO 33 -1.200 -6.861 -7.746 103 HG3 PRO 33 HG3 PRO 33 0.392 -6.239 -8.242 104 HD2 PRO 33 HD2 PRO 33 -1.212 -4.777 -6.668 105 HD3 PRO 33 HD3 PRO 33 -0.237 -4.003 -7.936 106 H LYS 34 H LYS 34 -4.046 -5.612 -7.733 107 HA LYS 34 HA LYS 34 -5.697 -7.704 -8.949 108 HB2 LYS 34 HB2 LYS 34 -5.696 -6.470 -6.149 109 HB3 LYS 34 HB3 LYS 34 -6.840 -7.698 -6.667 110 HG2 LYS 34 HG2 LYS 34 -5.190 -8.811 -5.381 111 HG3 LYS 34 HG3 LYS 34 -4.878 -9.244 -7.061 112 HD2 LYS 34 HD2 LYS 34 -3.033 -7.591 -7.142 113 HD3 LYS 34 HD3 LYS 34 -3.354 -7.144 -5.464 114 HE2 LYS 34 HE2 LYS 34 -1.432 -8.695 -5.668 115 HE3 LYS 34 HE3 LYS 34 -2.743 -9.405 -4.723 116 HZ1 LYS 34 HZ1 LYS 34 -1.767 -10.945 -6.338 117 HZ2 LYS 34 HZ2 LYS 34 -2.255 -9.937 -7.603 118 HZ3 LYS 34 HZ3 LYS 34 -3.413 -10.685 -6.623 119 H GLU 35 H GLU 35 -6.125 -4.554 -7.367 120 HA GLU 35 HA GLU 35 -8.165 -3.528 -9.060 121 HB2 GLU 35 HB2 GLU 35 -10.064 -3.597 -7.449 122 HB3 GLU 35 HB3 GLU 35 -9.582 -5.224 -7.922 123 HG2 GLU 35 HG2 GLU 35 -8.381 -5.514 -5.795 124 HG3 GLU 35 HG3 GLU 35 -8.767 -3.859 -5.326 125 H LYS 36 H LYS 36 -9.322 -1.602 -7.591 126 HA LYS 36 HA LYS 36 -7.207 -0.383 -5.899 127 HB2 LYS 36 HB2 LYS 36 -8.246 1.818 -6.396 128 HB3 LYS 36 HB3 LYS 36 -7.651 1.013 -7.845 129 HG2 LYS 36 HG2 LYS 36 -9.908 0.384 -8.495 130 HG3 LYS 36 HG3 LYS 36 -10.561 1.007 -6.978 131 HD2 LYS 36 HD2 LYS 36 -10.947 2.555 -8.885 132 HD3 LYS 36 HD3 LYS 36 -9.984 3.291 -7.603 133 HE2 LYS 36 HE2 LYS 36 -7.935 2.942 -8.905 134 HE3 LYS 36 HE3 LYS 36 -8.850 2.105 -10.162 135 HZ1 LYS 36 HZ1 LYS 36 -8.388 4.404 -10.757 136 HZ2 LYS 36 HZ2 LYS 36 -9.206 4.952 -9.385 137 HZ3 LYS 36 HZ3 LYS 36 -10.049 4.146 -10.604 138 H GLU 37 H GLU 37 -7.873 0.680 -3.959 139 HA GLU 37 HA GLU 37 -10.578 0.263 -2.927 140 HB2 GLU 37 HB2 GLU 37 -9.379 -1.864 -2.398 141 HB3 GLU 37 HB3 GLU 37 -8.131 -0.952 -1.555 142 HG2 GLU 37 HG2 GLU 37 -9.682 -1.960 0.032 143 HG3 GLU 37 HG3 GLU 37 -9.786 -0.202 0.108 144 H GLU 38 H GLU 38 -11.104 1.736 -1.303 145 HA GLU 38 HA GLU 38 -9.157 3.916 -0.921 146 HB2 GLU 38 HB2 GLU 38 -11.275 4.500 -2.057 147 HB3 GLU 38 HB3 GLU 38 -12.191 3.936 -0.662 148 HG2 GLU 38 HG2 GLU 38 -11.209 5.703 0.725 149 HG3 GLU 38 HG3 GLU 38 -10.212 6.236 -0.630 150 H PHE 39 H PHE 39 -8.315 4.170 0.996 151 HA PHE 39 HA PHE 39 -9.416 2.893 3.407 152 HB2 PHE 39 HB2 PHE 39 -6.556 3.787 2.794 153 HB3 PHE 39 HB3 PHE 39 -7.081 2.999 4.283 154 HD1 PHE 39 HD1 PHE 39 -7.883 0.619 4.215 155 HD2 PHE 39 HD2 PHE 39 -6.114 2.498 0.807 156 HE1 PHE 39 HE1 PHE 39 -7.549 -1.583 3.177 157 HE2 PHE 39 HE2 PHE 39 -5.792 0.283 -0.230 158 HZ PHE 39 HZ PHE 39 -6.504 -1.756 0.952 159 H ALA 40 H ALA 40 -8.942 4.143 5.446 160 HA ALA 40 HA ALA 40 -9.157 7.084 5.082 161 HB1 ALA 40 HB1 ALA 40 -10.678 7.094 7.029 162 HB2 ALA 40 HB2 ALA 40 -10.577 5.334 7.123 163 HB3 ALA 40 HB3 ALA 40 -11.320 6.101 5.720 164 H VAL 41 H VAL 41 -7.434 8.083 5.955 165 HA VAL 41 HA VAL 41 -6.142 7.040 8.397 166 HB VAL 41 HB VAL 41 -3.863 7.632 7.447 167 HG11 VAL 41 HG11 VAL 41 -3.584 5.566 6.148 168 HG12 VAL 41 HG12 VAL 41 -5.333 5.434 5.951 169 HG13 VAL 41 HG13 VAL 41 -4.611 5.289 7.556 170 HG21 VAL 41 HG21 VAL 41 -5.334 7.783 4.781 171 HG22 VAL 41 HG22 VAL 41 -3.580 7.778 4.984 172 HG23 VAL 41 HG23 VAL 41 -4.536 9.124 5.607 173 HA PRO 42 HA PRO 42 -6.727 11.317 9.530 174 HB2 PRO 42 HB2 PRO 42 -5.590 11.345 11.963 175 HB3 PRO 42 HB3 PRO 42 -6.972 10.296 11.626 176 HG2 PRO 42 HG2 PRO 42 -4.035 9.584 11.668 177 HG3 PRO 42 HG3 PRO 42 -5.395 8.743 12.449 178 HD2 PRO 42 HD2 PRO 42 -4.346 7.985 10.016 179 HD3 PRO 42 HD3 PRO 42 -6.036 7.693 10.479 180 H GLU 43 H GLU 43 -4.709 11.194 7.615 181 HA GLU 43 HA GLU 43 -2.648 11.767 6.832 182 HB2 GLU 43 HB2 GLU 43 -2.282 14.172 6.755 183 HB3 GLU 43 HB3 GLU 43 -3.993 13.817 6.592 184 HG2 GLU 43 HG2 GLU 43 -4.465 14.600 8.802 185 HG3 GLU 43 HG3 GLU 43 -2.756 14.666 9.217 186 H ASN 44 H ASN 44 -2.393 10.616 9.579 187 HA ASN 44 HA ASN 44 0.223 11.757 10.374 188 HB2 ASN 44 HB2 ASN 44 -1.638 12.255 12.022 189 HB3 ASN 44 HB3 ASN 44 -1.871 10.526 12.243 190 HD21 ASN 44 HD21 ASN 44 -0.263 9.340 13.391 191 HD22 ASN 44 HD22 ASN 44 0.905 10.130 14.390 192 H SER 45 H SER 45 -1.617 9.041 9.390 193 HA SER 45 HA SER 45 -0.123 6.911 10.459 194 HB2 SER 45 HB2 SER 45 -1.783 7.029 7.912 195 HB3 SER 45 HB3 SER 45 -1.205 5.547 8.682 196 HG SER 45 HG SER 45 -3.055 5.693 9.682 197 H SER 46 H SER 46 1.845 6.244 9.994 198 HA SER 46 HA SER 46 3.383 7.089 7.707 199 HB2 SER 46 HB2 SER 46 5.104 5.531 8.641 200 HB3 SER 46 HB3 SER 46 4.489 6.644 9.863 201 HG SER 46 HG SER 46 4.329 4.765 10.882 202 H VAL 47 H VAL 47 4.494 5.295 6.348 203 HA VAL 47 HA VAL 47 2.626 3.572 5.074 204 HB VAL 47 HB VAL 47 5.676 3.568 5.065 205 HG11 VAL 47 HG11 VAL 47 5.587 2.161 3.034 206 HG12 VAL 47 HG12 VAL 47 3.837 1.997 3.219 207 HG13 VAL 47 HG13 VAL 47 4.921 1.319 4.434 208 HG21 VAL 47 HG21 VAL 47 4.639 5.602 4.133 209 HG22 VAL 47 HG22 VAL 47 3.686 4.625 3.014 210 HG23 VAL 47 HG23 VAL 47 5.444 4.670 2.873 211 H GLN 48 H GLN 48 4.819 3.162 7.791 212 HA GLN 48 HA GLN 48 4.705 0.411 8.273 213 HB2 GLN 48 HB2 GLN 48 6.245 1.967 9.444 214 HB3 GLN 48 HB3 GLN 48 4.881 2.710 10.266 215 HG2 GLN 48 HG2 GLN 48 4.422 0.447 11.322 216 HG3 GLN 48 HG3 GLN 48 5.962 -0.092 10.658 217 HE21 GLN 48 HE21 GLN 48 5.142 0.095 13.434 218 HE22 GLN 48 HE22 GLN 48 6.270 1.146 14.214 219 H GLN 49 H GLN 49 2.372 2.956 9.017 220 HA GLN 49 HA GLN 49 0.616 1.143 10.506 221 HB2 GLN 49 HB2 GLN 49 0.341 4.092 9.773 222 HB3 GLN 49 HB3 GLN 49 -0.825 3.196 10.747 223 HG2 GLN 49 HG2 GLN 49 0.851 2.840 12.487 224 HG3 GLN 49 HG3 GLN 49 2.078 3.633 11.500 225 HE21 GLN 49 HE21 GLN 49 -0.830 4.139 13.407 226 HE22 GLN 49 HE22 GLN 49 -0.626 5.845 13.602 227 H PHE 50 H PHE 50 0.885 2.642 7.356 228 HA PHE 50 HA PHE 50 -1.875 2.440 6.624 229 HB2 PHE 50 HB2 PHE 50 -0.320 4.229 5.808 230 HB3 PHE 50 HB3 PHE 50 0.538 3.018 4.863 231 HD1 PHE 50 HD1 PHE 50 -3.087 3.880 5.387 232 HD2 PHE 50 HD2 PHE 50 0.072 3.275 2.573 233 HE1 PHE 50 HE1 PHE 50 -4.649 4.306 3.544 234 HE2 PHE 50 HE2 PHE 50 -1.500 3.713 0.736 235 HZ PHE 50 HZ PHE 50 -3.860 4.232 1.222 236 H LYS 51 H LYS 51 1.032 0.534 5.928 237 HA LYS 51 HA LYS 51 -0.139 -1.072 3.877 238 HB2 LYS 51 HB2 LYS 51 1.922 -2.076 3.619 239 HB3 LYS 51 HB3 LYS 51 2.437 -0.621 4.439 240 HG2 LYS 51 HG2 LYS 51 2.034 -3.314 5.784 241 HG3 LYS 51 HG3 LYS 51 3.583 -2.703 5.205 242 HD2 LYS 51 HD2 LYS 51 3.389 -0.790 6.786 243 HD3 LYS 51 HD3 LYS 51 1.866 -1.451 7.379 244 HE2 LYS 51 HE2 LYS 51 3.736 -1.962 8.887 245 HE3 LYS 51 HE3 LYS 51 3.028 -3.436 8.217 246 HZ1 LYS 51 HZ1 LYS 51 5.518 -2.120 7.284 247 HZ2 LYS 51 HZ2 LYS 51 4.853 -3.538 6.646 248 HZ3 LYS 51 HZ3 LYS 51 5.425 -3.515 8.236 249 H GLU 52 H GLU 52 -0.357 -1.146 7.287 250 HA GLU 52 HA GLU 52 -1.053 -3.911 7.659 251 HB2 GLU 52 HB2 GLU 52 -1.684 -1.519 9.445 252 HB3 GLU 52 HB3 GLU 52 -1.763 -3.221 9.913 253 HG2 GLU 52 HG2 GLU 52 0.688 -3.405 9.496 254 HG3 GLU 52 HG3 GLU 52 0.731 -1.675 9.152 255 H GLU 53 H GLU 53 -2.882 -0.885 7.291 256 HA GLU 53 HA GLU 53 -5.528 -1.851 7.422 257 HB2 GLU 53 HB2 GLU 53 -4.354 0.502 5.866 258 HB3 GLU 53 HB3 GLU 53 -6.082 0.232 6.070 259 HG2 GLU 53 HG2 GLU 53 -4.164 0.611 8.385 260 HG3 GLU 53 HG3 GLU 53 -5.056 1.930 7.626 261 H ILE 54 H ILE 54 -3.269 -1.562 4.770 262 HA ILE 54 HA ILE 54 -4.926 -2.503 2.667 263 HB ILE 54 HB ILE 54 -1.891 -2.491 2.975 264 HG12 ILE 54 HG12 ILE 54 -3.747 -0.477 1.598 265 HG13 ILE 54 HG13 ILE 54 -2.902 -0.222 3.120 266 HG21 ILE 54 HG21 ILE 54 -3.517 -2.813 0.435 267 HG22 ILE 54 HG22 ILE 54 -2.605 -4.088 1.243 268 HG23 ILE 54 HG23 ILE 54 -1.760 -2.711 0.549 269 HD11 ILE 54 HD11 ILE 54 -1.816 0.931 1.287 270 HD12 ILE 54 HD12 ILE 54 -1.595 -0.592 0.426 271 HD13 ILE 54 HD13 ILE 54 -0.761 -0.313 1.958 272 H SER 55 H SER 55 -2.663 -4.093 4.883 273 HA SER 55 HA SER 55 -2.451 -6.633 3.755 274 HB2 SER 55 HB2 SER 55 -0.965 -5.816 5.532 275 HB3 SER 55 HB3 SER 55 -2.299 -5.806 6.679 276 HG SER 55 HG SER 55 -1.240 -8.103 5.385 277 H LYS 56 H LYS 56 -4.662 -5.470 6.283 278 HA LYS 56 HA LYS 56 -6.041 -7.959 6.604 279 HB2 LYS 56 HB2 LYS 56 -7.549 -6.669 8.094 280 HB3 LYS 56 HB3 LYS 56 -5.853 -6.364 8.457 281 HG2 LYS 56 HG2 LYS 56 -5.949 -4.233 7.225 282 HG3 LYS 56 HG3 LYS 56 -7.644 -4.519 6.836 283 HD2 LYS 56 HD2 LYS 56 -6.523 -4.192 9.646 284 HD3 LYS 56 HD3 LYS 56 -7.334 -2.925 8.725 285 HE2 LYS 56 HE2 LYS 56 -9.406 -4.239 8.701 286 HE3 LYS 56 HE3 LYS 56 -8.607 -5.556 9.562 287 HZ1 LYS 56 HZ1 LYS 56 -9.921 -4.190 11.047 288 HZ2 LYS 56 HZ2 LYS 56 -9.040 -2.816 10.613 289 HZ3 LYS 56 HZ3 LYS 56 -8.276 -4.076 11.439 290 H ARG 57 H ARG 57 -6.277 -5.512 4.251 291 HA ARG 57 HA ARG 57 -9.129 -5.873 3.711 292 HB2 ARG 57 HB2 ARG 57 -7.978 -3.620 3.504 293 HB3 ARG 57 HB3 ARG 57 -7.099 -4.253 2.116 294 HG2 ARG 57 HG2 ARG 57 -9.003 -2.935 1.354 295 HG3 ARG 57 HG3 ARG 57 -9.257 -4.631 0.936 296 HD2 ARG 57 HD2 ARG 57 -10.725 -4.888 2.925 297 HD3 ARG 57 HD3 ARG 57 -10.489 -3.178 3.305 298 HE ARG 57 HE ARG 57 -11.514 -3.664 0.648 299 HH11 ARG 57 HH11 ARG 57 -12.461 -3.140 4.003 300 HH12 ARG 57 HH12 ARG 57 -14.067 -2.641 3.579 301 HH21 ARG 57 HH21 ARG 57 -13.615 -3.023 0.135 302 HH22 ARG 57 HH22 ARG 57 -14.723 -2.584 1.400 303 H PHE 58 H PHE 58 -6.149 -6.145 1.735 304 HA PHE 58 HA PHE 58 -7.433 -7.826 -0.247 305 HB2 PHE 58 HB2 PHE 58 -4.510 -6.967 0.005 306 HB3 PHE 58 HB3 PHE 58 -5.217 -7.775 -1.392 307 HD1 PHE 58 HD1 PHE 58 -6.965 -6.549 -2.777 308 HD2 PHE 58 HD2 PHE 58 -4.717 -4.580 0.275 309 HE1 PHE 58 HE1 PHE 58 -7.580 -4.366 -3.723 310 HE2 PHE 58 HE2 PHE 58 -5.345 -2.403 -0.678 311 HZ PHE 58 HZ PHE 58 -6.773 -2.294 -2.680 312 H LYS 59 H LYS 59 -6.142 -8.454 2.766 313 HA LYS 59 HA LYS 59 -5.463 -10.246 3.942 314 HB2 LYS 59 HB2 LYS 59 -6.575 -11.885 1.627 315 HB3 LYS 59 HB3 LYS 59 -6.169 -12.520 3.219 316 HG2 LYS 59 HG2 LYS 59 -8.376 -10.544 2.545 317 HG3 LYS 59 HG3 LYS 59 -8.573 -12.217 3.082 318 HD2 LYS 59 HD2 LYS 59 -7.569 -11.615 5.276 319 HD3 LYS 59 HD3 LYS 59 -7.381 -9.946 4.731 320 HE2 LYS 59 HE2 LYS 59 -9.334 -10.041 6.117 321 HE3 LYS 59 HE3 LYS 59 -9.886 -9.839 4.455 322 HZ1 LYS 59 HZ1 LYS 59 -11.197 -11.471 5.622 323 HZ2 LYS 59 HZ2 LYS 59 -9.820 -12.383 5.976 324 HZ3 LYS 59 HZ3 LYS 59 -10.332 -12.219 4.375 325 H SER 60 H SER 60 -3.680 -8.935 2.188 326 HA SER 60 HA SER 60 -1.790 -11.007 1.256 327 HB2 SER 60 HB2 SER 60 -1.853 -8.015 0.660 328 HB3 SER 60 HB3 SER 60 -0.825 -9.225 -0.115 329 HG SER 60 HG SER 60 -3.595 -9.607 -0.184 330 H HIS 61 H HIS 61 0.391 -10.920 1.974 331 HA HIS 61 HA HIS 61 0.737 -10.165 4.682 332 HB2 HIS 61 HB2 HIS 61 1.850 -12.126 3.587 333 HB3 HIS 61 HB3 HIS 61 2.888 -11.012 2.703 334 HD1 HIS 61 HD1 HIS 61 5.153 -11.131 3.748 335 HD2 HIS 61 HD2 HIS 61 2.139 -11.238 6.607 336 HE1 HIS 61 HE1 HIS 61 6.316 -11.196 5.966 337 HE2 HIS 61 HE2 HIS 61 4.479 -11.463 7.652 338 H THR 62 H THR 62 1.625 -8.423 5.612 339 HA THR 62 HA THR 62 1.671 -5.912 4.525 340 HB THR 62 HB THR 62 3.279 -5.407 6.599 341 HG1 THR 62 HG1 THR 62 4.041 -7.263 7.310 342 HG21 THR 62 HG21 THR 62 1.429 -5.543 8.184 343 HG22 THR 62 HG22 THR 62 0.531 -6.591 7.086 344 HG23 THR 62 HG23 THR 62 0.863 -4.917 6.633 345 H ASP 63 H ASP 63 4.512 -8.013 4.994 346 HA ASP 63 HA ASP 63 6.427 -6.025 4.215 347 HB2 ASP 63 HB2 ASP 63 6.726 -9.037 4.569 348 HB3 ASP 63 HB3 ASP 63 8.069 -7.912 4.359 349 H GLN 64 H GLN 64 4.508 -8.278 2.455 350 HA GLN 64 HA GLN 64 6.253 -8.346 0.115 351 HB2 GLN 64 HB2 GLN 64 3.488 -9.541 0.573 352 HB3 GLN 64 HB3 GLN 64 4.469 -9.792 -0.870 353 HG2 GLN 64 HG2 GLN 64 6.246 -10.798 0.606 354 HG3 GLN 64 HG3 GLN 64 5.125 -10.678 1.953 355 HE21 GLN 64 HE21 GLN 64 5.755 -12.232 -1.109 356 HE22 GLN 64 HE22 GLN 64 4.698 -13.574 -0.865 357 H LEU 65 H LEU 65 3.194 -6.832 1.128 358 HA LEU 65 HA LEU 65 2.937 -5.450 -1.425 359 HB2 LEU 65 HB2 LEU 65 0.883 -4.462 -0.512 360 HB3 LEU 65 HB3 LEU 65 0.888 -6.207 -0.413 361 HG LEU 65 HG LEU 65 1.674 -5.714 2.115 362 HD11 LEU 65 HD11 LEU 65 0.536 -3.771 3.076 363 HD12 LEU 65 HD12 LEU 65 0.083 -3.225 1.459 364 HD13 LEU 65 HD13 LEU 65 1.782 -3.295 1.925 365 HD21 LEU 65 HD21 LEU 65 -0.660 -5.912 2.844 366 HD22 LEU 65 HD22 LEU 65 -0.301 -7.008 1.516 367 HD23 LEU 65 HD23 LEU 65 -1.213 -5.530 1.210 368 H VAL 66 H VAL 66 4.027 -3.669 -1.854 369 HA VAL 66 HA VAL 66 5.047 -1.961 0.349 370 HB VAL 66 HB VAL 66 7.046 -1.470 -1.074 371 HG11 VAL 66 HG11 VAL 66 7.207 -3.237 0.638 372 HG12 VAL 66 HG12 VAL 66 8.216 -3.632 -0.753 373 HG13 VAL 66 HG13 VAL 66 6.664 -4.447 -0.529 374 HG21 VAL 66 HG21 VAL 66 7.572 -2.870 -3.062 375 HG22 VAL 66 HG22 VAL 66 6.105 -1.928 -3.315 376 HG23 VAL 66 HG23 VAL 66 5.989 -3.646 -2.939 377 H LEU 67 H LEU 67 4.767 0.227 0.133 378 HA LEU 67 HA LEU 67 2.849 1.166 -1.846 379 HB2 LEU 67 HB2 LEU 67 4.149 2.437 0.602 380 HB3 LEU 67 HB3 LEU 67 3.219 3.400 -0.529 381 HG LEU 67 HG LEU 67 1.852 2.855 1.403 382 HD11 LEU 67 HD11 LEU 67 0.700 3.047 -0.737 383 HD12 LEU 67 HD12 LEU 67 -0.115 1.909 0.323 384 HD13 LEU 67 HD13 LEU 67 0.872 1.310 -1.016 385 HD21 LEU 67 HD21 LEU 67 1.188 0.577 2.010 386 HD22 LEU 67 HD22 LEU 67 2.929 0.788 2.159 387 HD23 LEU 67 HD23 LEU 67 2.266 -0.089 0.779 388 H ILE 68 H ILE 68 3.280 2.782 -3.354 389 HA ILE 68 HA ILE 68 6.030 3.728 -3.792 390 HB ILE 68 HB ILE 68 4.329 2.355 -5.937 391 HG12 ILE 68 HG12 ILE 68 6.733 1.216 -6.324 392 HG13 ILE 68 HG13 ILE 68 6.980 1.664 -4.648 393 HG21 ILE 68 HG21 ILE 68 6.805 4.055 -6.400 394 HG22 ILE 68 HG22 ILE 68 5.162 4.395 -6.944 395 HG23 ILE 68 HG23 ILE 68 6.044 3.027 -7.618 396 HD11 ILE 68 HD11 ILE 68 4.780 -0.104 -5.700 397 HD12 ILE 68 HD12 ILE 68 5.034 0.329 -4.010 398 HD13 ILE 68 HD13 ILE 68 6.241 -0.627 -4.864 399 H PHE 69 H PHE 69 6.044 5.813 -4.254 400 HA PHE 69 HA PHE 69 3.989 7.063 -5.873 401 HB2 PHE 69 HB2 PHE 69 3.248 7.316 -3.413 402 HB3 PHE 69 HB3 PHE 69 4.649 8.359 -3.188 403 HD1 PHE 69 HD1 PHE 69 1.454 7.967 -5.075 404 HD2 PHE 69 HD2 PHE 69 4.555 10.681 -3.915 405 HE1 PHE 69 HE1 PHE 69 0.105 9.859 -5.883 406 HE2 PHE 69 HE2 PHE 69 3.199 12.562 -4.732 407 HZ PHE 69 HZ PHE 69 0.981 12.160 -5.715 408 H ALA 70 H ALA 70 4.721 9.020 -6.794 409 HA ALA 70 HA ALA 70 6.204 10.211 -7.998 410 HB1 ALA 70 HB1 ALA 70 6.924 11.142 -5.825 411 HB2 ALA 70 HB2 ALA 70 8.276 11.024 -6.951 412 HB3 ALA 70 HB3 ALA 70 8.105 9.842 -5.652 413 H GLY 71 H GLY 71 6.144 7.169 -7.965 414 HA2 GLY 71 HA2 GLY 71 6.990 5.658 -9.502 415 HA3 GLY 71 HA3 GLY 71 8.357 6.715 -9.807 416 H LYS 72 H LYS 72 8.362 6.641 -6.556 417 HA LYS 72 HA LYS 72 10.297 4.386 -6.489 418 HB2 LYS 72 HB2 LYS 72 11.572 5.703 -4.821 419 HB3 LYS 72 HB3 LYS 72 11.443 6.525 -6.367 420 HG2 LYS 72 HG2 LYS 72 11.076 8.302 -4.936 421 HG3 LYS 72 HG3 LYS 72 9.415 7.782 -5.195 422 HD2 LYS 72 HD2 LYS 72 9.789 8.261 -2.819 423 HD3 LYS 72 HD3 LYS 72 9.483 6.538 -3.039 424 HE2 LYS 72 HE2 LYS 72 11.900 6.084 -2.904 425 HE3 LYS 72 HE3 LYS 72 12.222 7.806 -2.682 426 HZ1 LYS 72 HZ1 LYS 72 10.701 6.033 -0.847 427 HZ2 LYS 72 HZ2 LYS 72 10.892 7.694 -0.625 428 HZ3 LYS 72 HZ3 LYS 72 12.239 6.675 -0.572 429 H ILE 73 H ILE 73 10.530 3.242 -4.483 430 HA ILE 73 HA ILE 73 8.002 2.614 -3.285 431 HB ILE 73 HB ILE 73 9.029 0.825 -2.065 432 HG12 ILE 73 HG12 ILE 73 11.057 1.962 -1.147 433 HG13 ILE 73 HG13 ILE 73 11.443 0.395 -1.835 434 HG21 ILE 73 HG21 ILE 73 10.344 1.014 -4.794 435 HG22 ILE 73 HG22 ILE 73 8.738 0.379 -4.438 436 HG23 ILE 73 HG23 ILE 73 10.169 -0.469 -3.850 437 HD11 ILE 73 HD11 ILE 73 13.146 2.039 -2.326 438 HD12 ILE 73 HD12 ILE 73 11.956 3.065 -3.130 439 HD13 ILE 73 HD13 ILE 73 12.368 1.487 -3.807 440 H LEU 74 H LEU 74 7.147 3.284 -1.444 441 HA LEU 74 HA LEU 74 8.488 5.196 0.297 442 HB2 LEU 74 HB2 LEU 74 5.651 4.152 0.645 443 HB3 LEU 74 HB3 LEU 74 6.331 5.671 1.202 444 HG LEU 74 HG LEU 74 5.530 4.931 -1.630 445 HD11 LEU 74 HD11 LEU 74 4.474 7.071 0.248 446 HD12 LEU 74 HD12 LEU 74 3.660 5.569 -0.193 447 HD13 LEU 74 HD13 LEU 74 3.941 6.807 -1.413 448 HD21 LEU 74 HD21 LEU 74 6.237 7.225 -2.309 449 HD22 LEU 74 HD22 LEU 74 7.590 6.200 -1.846 450 HD23 LEU 74 HD23 LEU 74 7.002 7.437 -0.732 451 H LYS 75 H LYS 75 9.496 4.497 2.068 452 HA LYS 75 HA LYS 75 9.193 1.741 3.023 453 HB2 LYS 75 HB2 LYS 75 11.189 3.932 3.747 454 HB3 LYS 75 HB3 LYS 75 11.260 2.274 4.333 455 HG2 LYS 75 HG2 LYS 75 11.503 3.117 1.425 456 HG3 LYS 75 HG3 LYS 75 12.857 2.709 2.480 457 HD2 LYS 75 HD2 LYS 75 10.612 0.826 1.658 458 HD3 LYS 75 HD3 LYS 75 12.246 0.833 0.991 459 HE2 LYS 75 HE2 LYS 75 13.149 0.278 3.236 460 HE3 LYS 75 HE3 LYS 75 11.504 0.238 3.877 461 HZ1 LYS 75 HZ1 LYS 75 12.305 -1.971 3.363 462 HZ2 LYS 75 HZ2 LYS 75 12.572 -1.532 1.753 463 HZ3 LYS 75 HZ3 LYS 75 11.001 -1.569 2.366 464 H ASP 76 H ASP 76 9.529 1.628 5.571 465 HA ASP 76 HA ASP 76 7.139 2.556 6.768 466 HB2 ASP 76 HB2 ASP 76 7.997 1.553 8.855 467 HB3 ASP 76 HB3 ASP 76 8.225 0.474 7.488 468 H GLN 77 H GLN 77 10.390 3.851 6.735 469 HA GLN 77 HA GLN 77 10.189 5.892 8.694 470 HB2 GLN 77 HB2 GLN 77 12.056 6.987 7.328 471 HB3 GLN 77 HB3 GLN 77 12.376 5.338 7.854 472 HG2 GLN 77 HG2 GLN 77 11.980 4.451 5.671 473 HG3 GLN 77 HG3 GLN 77 11.276 5.963 5.106 474 HE21 GLN 77 HE21 GLN 77 12.675 5.977 3.340 475 HE22 GLN 77 HE22 GLN 77 14.352 6.384 3.504 476 H ASP 78 H ASP 78 9.216 5.706 5.308 477 HA ASP 78 HA ASP 78 8.513 8.501 5.016 478 HB2 ASP 78 HB2 ASP 78 7.958 6.075 3.227 479 HB3 ASP 78 HB3 ASP 78 7.539 7.732 2.800 480 H THR 79 H THR 79 6.391 9.299 4.898 481 HA THR 79 HA THR 79 4.159 7.453 5.561 482 HB THR 79 HB THR 79 3.011 9.165 6.768 483 HG1 THR 79 HG1 THR 79 3.889 11.376 6.771 484 HG21 THR 79 HG21 THR 79 4.929 8.315 8.104 485 HG22 THR 79 HG22 THR 79 4.544 9.986 8.510 486 HG23 THR 79 HG23 THR 79 5.934 9.627 7.484 487 H LEU 80 H LEU 80 2.395 7.609 4.200 488 HA LEU 80 HA LEU 80 2.677 8.497 1.575 489 HB2 LEU 80 HB2 LEU 80 0.274 8.137 1.272 490 HB3 LEU 80 HB3 LEU 80 1.020 6.800 2.115 491 HG LEU 80 HG LEU 80 -0.551 8.947 3.588 492 HD11 LEU 80 HD11 LEU 80 -1.653 6.364 2.429 493 HD12 LEU 80 HD12 LEU 80 -2.044 8.001 1.892 494 HD13 LEU 80 HD13 LEU 80 -2.519 7.470 3.502 495 HD21 LEU 80 HD21 LEU 80 0.833 7.560 5.044 496 HD22 LEU 80 HD22 LEU 80 0.161 6.087 4.338 497 HD23 LEU 80 HD23 LEU 80 -0.870 7.164 5.287 498 H SER 81 H SER 81 1.274 10.154 4.367 499 HA SER 81 HA SER 81 0.146 12.372 3.023 500 HB2 SER 81 HB2 SER 81 -0.545 11.659 5.277 501 HB3 SER 81 HB3 SER 81 1.035 12.094 5.920 502 HG SER 81 HG SER 81 -0.398 13.769 6.318 503 H GLN 82 H GLN 82 3.433 11.823 4.321 504 HA GLN 82 HA GLN 82 4.361 14.518 3.785 505 HB2 GLN 82 HB2 GLN 82 5.866 11.956 4.449 506 HB3 GLN 82 HB3 GLN 82 6.691 13.474 4.117 507 HG2 GLN 82 HG2 GLN 82 4.757 12.965 6.394 508 HG3 GLN 82 HG3 GLN 82 6.511 13.051 6.522 509 HE21 GLN 82 HE21 GLN 82 4.555 14.643 7.924 510 HE22 GLN 82 HE22 GLN 82 4.871 16.295 7.527 511 H HIS 83 H HIS 83 3.562 12.030 1.710 512 HA HIS 83 HA HIS 83 5.295 13.099 -0.447 513 HB2 HIS 83 HB2 HIS 83 3.754 10.479 -0.233 514 HB3 HIS 83 HB3 HIS 83 4.441 11.054 -1.754 515 HD1 HIS 83 HD1 HIS 83 7.091 11.355 -1.774 516 HD2 HIS 83 HD2 HIS 83 5.570 9.177 1.408 517 HE1 HIS 83 HE1 HIS 83 9.049 10.134 -0.814 518 HE2 HIS 83 HE2 HIS 83 8.141 9.047 1.269 519 H GLY 84 H GLY 84 2.617 14.056 0.878 520 HA2 GLY 84 HA2 GLY 84 1.055 15.583 0.142 521 HA3 GLY 84 HA3 GLY 84 1.618 15.347 -1.505 522 H ILE 85 H ILE 85 0.746 12.501 0.200 523 HA ILE 85 HA ILE 85 -1.586 12.109 -1.526 524 HB ILE 85 HB ILE 85 -0.324 10.149 0.450 525 HG12 ILE 85 HG12 ILE 85 0.146 10.201 -2.576 526 HG13 ILE 85 HG13 ILE 85 1.261 10.915 -1.415 527 HG21 ILE 85 HG21 ILE 85 -2.248 9.661 -1.862 528 HG22 ILE 85 HG22 ILE 85 -2.655 9.612 -0.145 529 HG23 ILE 85 HG23 ILE 85 -1.547 8.421 -0.819 530 HD11 ILE 85 HD11 ILE 85 0.482 8.009 -1.491 531 HD12 ILE 85 HD12 ILE 85 1.662 8.760 -0.415 532 HD13 ILE 85 HD13 ILE 85 1.959 8.702 -2.148 533 H HIS 86 H HIS 86 -3.516 12.599 -0.788 534 HA HIS 86 HA HIS 86 -4.322 12.207 1.983 535 HB2 HIS 86 HB2 HIS 86 -5.207 14.545 2.185 536 HB3 HIS 86 HB3 HIS 86 -3.454 14.495 2.080 537 HD1 HIS 86 HD1 HIS 86 -6.499 15.614 0.194 538 HD2 HIS 86 HD2 HIS 86 -2.364 15.747 -0.177 539 HE1 HIS 86 HE1 HIS 86 -6.037 17.271 -1.633 540 HE2 HIS 86 HE2 HIS 86 -3.538 17.234 -1.924 541 H ASP 87 H ASP 87 -6.785 13.590 1.745 542 HA ASP 87 HA ASP 87 -8.453 11.719 0.569 543 HB2 ASP 87 HB2 ASP 87 -9.237 13.275 2.271 544 HB3 ASP 87 HB3 ASP 87 -8.971 14.647 1.206 545 H GLY 88 H GLY 88 -8.756 11.200 -1.496 546 HA2 GLY 88 HA2 GLY 88 -9.719 11.657 -3.615 547 HA3 GLY 88 HA3 GLY 88 -9.101 13.299 -3.550 548 H LEU 89 H LEU 89 -6.585 11.399 -2.555 549 HA LEU 89 HA LEU 89 -5.353 11.361 -5.241 550 HB2 LEU 89 HB2 LEU 89 -4.181 11.317 -2.435 551 HB3 LEU 89 HB3 LEU 89 -3.210 10.865 -3.823 552 HG LEU 89 HG LEU 89 -2.732 13.169 -3.218 553 HD11 LEU 89 HD11 LEU 89 -3.121 14.294 -5.358 554 HD12 LEU 89 HD12 LEU 89 -4.328 13.086 -5.802 555 HD13 LEU 89 HD13 LEU 89 -2.638 12.617 -5.604 556 HD21 LEU 89 HD21 LEU 89 -5.681 13.761 -3.621 557 HD22 LEU 89 HD22 LEU 89 -4.420 14.952 -3.288 558 HD23 LEU 89 HD23 LEU 89 -4.822 13.736 -2.078 559 H THR 90 H THR 90 -3.678 9.566 -5.501 560 HA THR 90 HA THR 90 -4.654 6.955 -4.595 561 HB THR 90 HB THR 90 -4.056 7.664 -7.504 562 HG1 THR 90 HG1 THR 90 -6.351 7.645 -6.002 563 HG21 THR 90 HG21 THR 90 -4.774 5.356 -8.038 564 HG22 THR 90 HG22 THR 90 -4.954 5.002 -6.319 565 HG23 THR 90 HG23 THR 90 -3.355 5.334 -6.987 566 H VAL 91 H VAL 91 -3.076 5.422 -4.261 567 HA VAL 91 HA VAL 91 -0.234 6.170 -4.726 568 HB VAL 91 HB VAL 91 -1.086 4.021 -2.736 569 HG11 VAL 91 HG11 VAL 91 1.363 5.826 -2.857 570 HG12 VAL 91 HG12 VAL 91 1.293 4.120 -3.301 571 HG13 VAL 91 HG13 VAL 91 1.051 4.601 -1.623 572 HG21 VAL 91 HG21 VAL 91 -1.049 5.688 -0.905 573 HG22 VAL 91 HG22 VAL 91 -2.370 5.960 -2.040 574 HG23 VAL 91 HG23 VAL 91 -0.936 6.985 -2.099 575 H HIS 92 H HIS 92 1.183 4.449 -5.417 576 HA HIS 92 HA HIS 92 -0.105 2.273 -6.956 577 HB2 HIS 92 HB2 HIS 92 2.790 3.265 -6.960 578 HB3 HIS 92 HB3 HIS 92 2.154 1.988 -7.995 579 HD1 HIS 92 HD1 HIS 92 1.758 2.823 -10.293 580 HD2 HIS 92 HD2 HIS 92 1.113 5.797 -7.465 581 HE1 HIS 92 HE1 HIS 92 1.142 4.877 -11.593 582 HE2 HIS 92 HE2 HIS 92 0.590 6.600 -9.854 583 H LEU 93 H LEU 93 -0.208 0.326 -5.953 584 HA LEU 93 HA LEU 93 1.772 -0.362 -3.848 585 HB2 LEU 93 HB2 LEU 93 -0.596 -0.149 -3.081 586 HB3 LEU 93 HB3 LEU 93 -1.062 -1.388 -4.234 587 HG LEU 93 HG LEU 93 0.528 -2.974 -2.979 588 HD11 LEU 93 HD11 LEU 93 1.828 -1.280 -1.771 589 HD12 LEU 93 HD12 LEU 93 1.107 -2.459 -0.684 590 HD13 LEU 93 HD13 LEU 93 0.401 -0.844 -0.832 591 HD21 LEU 93 HD21 LEU 93 -1.843 -3.190 -2.772 592 HD22 LEU 93 HD22 LEU 93 -1.902 -1.929 -1.537 593 HD23 LEU 93 HD23 LEU 93 -1.086 -3.464 -1.210 594 H VAL 94 H VAL 94 3.082 -2.019 -4.289 595 HA VAL 94 HA VAL 94 2.374 -3.957 -6.427 596 HB VAL 94 HB VAL 94 5.126 -3.121 -5.365 597 HG11 VAL 94 HG11 VAL 94 4.504 -5.247 -7.460 598 HG12 VAL 94 HG12 VAL 94 5.173 -5.529 -5.852 599 HG13 VAL 94 HG13 VAL 94 6.115 -4.647 -7.052 600 HG21 VAL 94 HG21 VAL 94 4.128 -1.486 -6.912 601 HG22 VAL 94 HG22 VAL 94 3.869 -2.748 -8.119 602 HG23 VAL 94 HG23 VAL 94 5.511 -2.281 -7.666 603 H ILE 95 H ILE 95 1.505 -5.689 -5.538 604 HA ILE 95 HA ILE 95 2.245 -6.580 -2.835 605 HB ILE 95 HB ILE 95 -0.017 -7.635 -4.593 606 HG12 ILE 95 HG12 ILE 95 -0.108 -5.444 -2.459 607 HG13 ILE 95 HG13 ILE 95 -0.481 -5.264 -4.168 608 HG21 ILE 95 HG21 ILE 95 0.483 -7.902 -1.602 609 HG22 ILE 95 HG22 ILE 95 0.739 -9.165 -2.806 610 HG23 ILE 95 HG23 ILE 95 -0.890 -8.572 -2.490 611 HD11 ILE 95 HD11 ILE 95 -2.084 -6.834 -2.149 612 HD12 ILE 95 HD12 ILE 95 -2.450 -6.713 -3.871 613 HD13 ILE 95 HD13 ILE 95 -2.500 -5.274 -2.857 614 H LYS 96 H LYS 96 3.976 -7.881 -2.887 615 HA LYS 96 HA LYS 96 4.601 -9.595 -5.166 616 HB2 LYS 96 HB2 LYS 96 6.163 -8.976 -2.624 617 HB3 LYS 96 HB3 LYS 96 6.790 -9.857 -4.014 618 HG2 LYS 96 HG2 LYS 96 6.576 -7.845 -5.419 619 HG3 LYS 96 HG3 LYS 96 5.895 -6.946 -4.060 620 HD2 LYS 96 HD2 LYS 96 8.692 -8.159 -4.119 621 HD3 LYS 96 HD3 LYS 96 8.325 -6.464 -4.447 622 HE2 LYS 96 HE2 LYS 96 7.622 -6.082 -2.192 623 HE3 LYS 96 HE3 LYS 96 7.591 -7.807 -1.823 624 HZ1 LYS 96 HZ1 LYS 96 9.966 -7.883 -1.994 625 HZ2 LYS 96 HZ2 LYS 96 9.540 -6.652 -0.917 626 HZ3 LYS 96 HZ3 LYS 96 10.037 -6.269 -2.481 627 H THR 97 H THR 97 2.347 -10.275 -3.260 628 HA THR 97 HA THR 97 3.175 -12.653 -1.826 629 HB THR 97 HB THR 97 0.710 -12.967 -1.429 630 HG1 THR 97 HG1 THR 97 -0.601 -12.016 -2.778 631 HG21 THR 97 HG21 THR 97 1.970 -11.546 0.153 632 HG22 THR 97 HG22 THR 97 0.328 -10.939 -0.062 633 HG23 THR 97 HG23 THR 97 1.677 -10.137 -0.869 634 H GLN 98 H GLN 98 1.947 -14.704 -2.223 635 HA GLN 98 HA GLN 98 0.794 -15.127 -4.855 636 HB2 GLN 98 HB2 GLN 98 2.129 -17.427 -4.933 637 HB3 GLN 98 HB3 GLN 98 2.848 -15.959 -5.561 638 HG2 GLN 98 HG2 GLN 98 4.558 -17.074 -4.374 639 HG3 GLN 98 HG3 GLN 98 4.080 -15.704 -3.380 640 HE21 GLN 98 HE21 GLN 98 4.868 -16.567 -1.482 641 HE22 GLN 98 HE22 GLN 98 4.179 -17.945 -0.706 642 H ASN 99 H ASN 99 -1.079 -16.086 -4.573 643 HA ASN 99 HA ASN 99 -2.839 -17.217 -3.761 644 HB2 ASN 99 HB2 ASN 99 -0.693 -19.125 -2.744 645 HB3 ASN 99 HB3 ASN 99 -2.407 -19.514 -2.868 646 HD21 ASN 99 HD21 ASN 99 -0.139 -20.802 -4.150 647 HD22 ASN 99 HD22 ASN 99 -0.421 -20.713 -5.853 648 H ARG 100 H ARG 100 -3.266 -15.403 -2.358 649 HA ARG 100 HA ARG 100 -3.125 -16.056 0.527 650 HB2 ARG 100 HB2 ARG 100 -2.969 -13.378 -0.890 651 HB3 ARG 100 HB3 ARG 100 -3.578 -13.460 0.756 652 HG2 ARG 100 HG2 ARG 100 -0.811 -14.221 -0.210 653 HG3 ARG 100 HG3 ARG 100 -1.255 -12.861 0.825 654 HD2 ARG 100 HD2 ARG 100 -1.146 -15.803 1.504 655 HD3 ARG 100 HD3 ARG 100 -0.369 -14.446 2.319 656 HE ARG 100 HE ARG 100 -2.786 -13.797 2.917 657 HH11 ARG 100 HH11 ARG 100 -1.576 -17.101 2.823 658 HH12 ARG 100 HH12 ARG 100 -2.832 -17.714 3.849 659 HH21 ARG 100 HH21 ARG 100 -4.447 -14.648 4.235 660 HH22 ARG 100 HH22 ARG 100 -4.438 -16.329 4.648 661 HA PRO 101 HA PRO 101 -7.659 -16.162 -0.338 662 HB2 PRO 101 HB2 PRO 101 -7.841 -18.227 1.754 663 HB3 PRO 101 HB3 PRO 101 -8.169 -18.377 0.026 664 HG2 PRO 101 HG2 PRO 101 -6.024 -19.585 1.249 665 HG3 PRO 101 HG3 PRO 101 -6.026 -19.095 -0.458 666 HD2 PRO 101 HD2 PRO 101 -4.842 -17.656 1.922 667 HD3 PRO 101 HD3 PRO 101 -4.140 -17.939 0.309 Start of MODEL 10 1 HA PRO 23 HA PRO 23 -11.636 19.662 8.077 2 HB2 PRO 23 HB2 PRO 23 -12.044 17.576 10.086 3 HB3 PRO 23 HB3 PRO 23 -10.843 18.877 10.075 4 HG2 PRO 23 HG2 PRO 23 -13.531 18.807 11.346 5 HG3 PRO 23 HG3 PRO 23 -12.102 19.756 11.801 6 HD2 PRO 23 HD2 PRO 23 -14.218 20.954 10.666 7 HD3 PRO 23 HD3 PRO 23 -12.572 21.448 10.215 8 H LYS 24 H LYS 24 -11.183 17.915 6.779 9 HA LYS 24 HA LYS 24 -13.242 15.807 6.363 10 HB2 LYS 24 HB2 LYS 24 -13.033 17.460 4.412 11 HB3 LYS 24 HB3 LYS 24 -11.375 16.917 4.209 12 HG2 LYS 24 HG2 LYS 24 -12.645 14.504 4.094 13 HG3 LYS 24 HG3 LYS 24 -13.940 15.538 3.503 14 HD2 LYS 24 HD2 LYS 24 -11.167 15.207 2.305 15 HD3 LYS 24 HD3 LYS 24 -12.694 14.660 1.616 16 HE2 LYS 24 HE2 LYS 24 -13.405 16.977 1.281 17 HE3 LYS 24 HE3 LYS 24 -11.930 17.569 2.054 18 HZ1 LYS 24 HZ1 LYS 24 -11.766 17.633 -0.360 19 HZ2 LYS 24 HZ2 LYS 24 -12.046 15.967 -0.442 20 HZ3 LYS 24 HZ3 LYS 24 -10.640 16.549 0.293 21 H ILE 25 H ILE 25 -12.357 13.709 5.927 22 HA ILE 25 HA ILE 25 -9.716 13.230 7.055 23 HB ILE 25 HB ILE 25 -11.852 11.824 7.467 24 HG12 ILE 25 HG12 ILE 25 -9.333 10.280 6.702 25 HG13 ILE 25 HG13 ILE 25 -9.506 11.215 8.182 26 HG21 ILE 25 HG21 ILE 25 -11.047 10.514 4.842 27 HG22 ILE 25 HG22 ILE 25 -12.495 11.496 5.094 28 HG23 ILE 25 HG23 ILE 25 -12.312 9.965 5.948 29 HD11 ILE 25 HD11 ILE 25 -11.160 8.829 7.410 30 HD12 ILE 25 HD12 ILE 25 -11.319 9.773 8.895 31 HD13 ILE 25 HD13 ILE 25 -9.837 8.870 8.575 32 H MET 26 H MET 26 -7.998 12.133 5.858 33 HA MET 26 HA MET 26 -7.716 13.305 3.215 34 HB2 MET 26 HB2 MET 26 -5.822 13.443 4.774 35 HB3 MET 26 HB3 MET 26 -5.753 11.693 4.916 36 HG2 MET 26 HG2 MET 26 -5.091 11.525 2.554 37 HG3 MET 26 HG3 MET 26 -5.173 13.279 2.398 38 HE1 MET 26 HE1 MET 26 -3.801 14.507 4.903 39 HE2 MET 26 HE2 MET 26 -3.303 14.935 3.265 40 HE3 MET 26 HE3 MET 26 -2.094 14.481 4.467 41 H LYS 27 H LYS 27 -8.507 12.298 1.528 42 HA LYS 27 HA LYS 27 -9.095 9.448 1.506 43 HB2 LYS 27 HB2 LYS 27 -9.654 11.514 -0.668 44 HB3 LYS 27 HB3 LYS 27 -10.405 9.934 -0.484 45 HG2 LYS 27 HG2 LYS 27 -10.782 12.343 1.329 46 HG3 LYS 27 HG3 LYS 27 -11.962 11.674 0.204 47 HD2 LYS 27 HD2 LYS 27 -10.898 10.293 2.703 48 HD3 LYS 27 HD3 LYS 27 -12.480 11.051 2.540 49 HE2 LYS 27 HE2 LYS 27 -11.509 8.630 0.982 50 HE3 LYS 27 HE3 LYS 27 -12.626 8.595 2.346 51 HZ1 LYS 27 HZ1 LYS 27 -13.122 9.967 -0.233 52 HZ2 LYS 27 HZ2 LYS 27 -14.206 9.849 1.060 53 HZ3 LYS 27 HZ3 LYS 27 -13.746 8.464 0.207 54 H VAL 28 H VAL 28 -7.074 8.437 1.304 55 HA VAL 28 HA VAL 28 -5.319 9.157 -0.952 56 HB VAL 28 HB VAL 28 -4.764 7.008 1.148 57 HG11 VAL 28 HG11 VAL 28 -3.344 6.934 -0.844 58 HG12 VAL 28 HG12 VAL 28 -2.397 7.422 0.558 59 HG13 VAL 28 HG13 VAL 28 -2.898 8.629 -0.629 60 HG21 VAL 28 HG21 VAL 28 -5.234 9.077 2.363 61 HG22 VAL 28 HG22 VAL 28 -4.068 9.962 1.375 62 HG23 VAL 28 HG23 VAL 28 -3.517 8.682 2.458 63 H THR 29 H THR 29 -5.952 8.220 -2.814 64 HA THR 29 HA THR 29 -7.143 5.569 -2.939 65 HB THR 29 HB THR 29 -6.326 7.405 -5.249 66 HG1 THR 29 HG1 THR 29 -8.114 7.914 -3.444 67 HG21 THR 29 HG21 THR 29 -6.757 5.057 -5.931 68 HG22 THR 29 HG22 THR 29 -8.017 6.131 -6.533 69 HG23 THR 29 HG23 THR 29 -8.332 5.109 -5.129 70 H VAL 30 H VAL 30 -6.095 3.744 -3.690 71 HA VAL 30 HA VAL 30 -3.210 3.880 -4.321 72 HB VAL 30 HB VAL 30 -4.675 1.871 -2.537 73 HG11 VAL 30 HG11 VAL 30 -1.783 1.720 -3.495 74 HG12 VAL 30 HG12 VAL 30 -3.092 0.618 -3.923 75 HG13 VAL 30 HG13 VAL 30 -2.512 0.683 -2.262 76 HG21 VAL 30 HG21 VAL 30 -4.037 3.965 -1.414 77 HG22 VAL 30 HG22 VAL 30 -2.357 3.758 -1.916 78 HG23 VAL 30 HG23 VAL 30 -3.095 2.613 -0.788 79 H LYS 31 H LYS 31 -2.734 3.011 -6.201 80 HA LYS 31 HA LYS 31 -4.695 1.415 -7.705 81 HB2 LYS 31 HB2 LYS 31 -3.735 3.550 -8.684 82 HB3 LYS 31 HB3 LYS 31 -2.150 2.796 -8.687 83 HG2 LYS 31 HG2 LYS 31 -4.468 1.555 -10.187 84 HG3 LYS 31 HG3 LYS 31 -3.544 2.875 -10.895 85 HD2 LYS 31 HD2 LYS 31 -1.486 1.533 -10.806 86 HD3 LYS 31 HD3 LYS 31 -2.343 0.231 -9.980 87 HE2 LYS 31 HE2 LYS 31 -2.880 1.196 -12.802 88 HE3 LYS 31 HE3 LYS 31 -2.031 -0.285 -12.350 89 HZ1 LYS 31 HZ1 LYS 31 -4.041 -1.082 -11.308 90 HZ2 LYS 31 HZ2 LYS 31 -4.321 -0.710 -12.930 91 HZ3 LYS 31 HZ3 LYS 31 -4.860 0.335 -11.722 92 H THR 32 H THR 32 -4.417 -0.681 -7.637 93 HA THR 32 HA THR 32 -1.771 -1.936 -7.167 94 HB THR 32 HB THR 32 -3.033 -3.859 -6.322 95 HG1 THR 32 HG1 THR 32 -5.489 -2.496 -6.745 96 HG21 THR 32 HG21 THR 32 -4.178 -2.867 -4.390 97 HG22 THR 32 HG22 THR 32 -4.268 -1.307 -5.219 98 HG23 THR 32 HG23 THR 32 -2.703 -1.968 -4.745 99 HA PRO 33 HA PRO 33 -1.736 -3.749 -11.284 100 HB2 PRO 33 HB2 PRO 33 -1.334 -6.472 -10.826 101 HB3 PRO 33 HB3 PRO 33 -0.067 -5.237 -10.773 102 HG2 PRO 33 HG2 PRO 33 -1.647 -6.405 -8.483 103 HG3 PRO 33 HG3 PRO 33 0.110 -6.147 -8.616 104 HD2 PRO 33 HD2 PRO 33 -1.386 -4.417 -7.256 105 HD3 PRO 33 HD3 PRO 33 -0.088 -3.818 -8.312 106 H LYS 34 H LYS 34 -4.010 -5.025 -8.947 107 HA LYS 34 HA LYS 34 -5.712 -6.302 -10.963 108 HB2 LYS 34 HB2 LYS 34 -6.081 -5.998 -7.948 109 HB3 LYS 34 HB3 LYS 34 -7.222 -6.811 -9.010 110 HG2 LYS 34 HG2 LYS 34 -6.026 -8.547 -8.005 111 HG3 LYS 34 HG3 LYS 34 -5.299 -8.403 -9.605 112 HD2 LYS 34 HD2 LYS 34 -3.359 -7.254 -8.681 113 HD3 LYS 34 HD3 LYS 34 -4.128 -7.139 -7.094 114 HE2 LYS 34 HE2 LYS 34 -3.290 -9.713 -8.474 115 HE3 LYS 34 HE3 LYS 34 -2.443 -8.933 -7.136 116 HZ1 LYS 34 HZ1 LYS 34 -3.858 -10.755 -6.404 117 HZ2 LYS 34 HZ2 LYS 34 -5.218 -9.974 -7.023 118 HZ3 LYS 34 HZ3 LYS 34 -4.363 -9.285 -5.739 119 H GLU 35 H GLU 35 -6.181 -3.810 -8.419 120 HA GLU 35 HA GLU 35 -8.341 -2.560 -10.017 121 HB2 GLU 35 HB2 GLU 35 -9.782 -2.499 -8.026 122 HB3 GLU 35 HB3 GLU 35 -9.338 -4.164 -8.390 123 HG2 GLU 35 HG2 GLU 35 -7.759 -4.236 -6.561 124 HG3 GLU 35 HG3 GLU 35 -7.897 -2.502 -6.293 125 H LYS 36 H LYS 36 -9.190 -0.638 -8.364 126 HA LYS 36 HA LYS 36 -6.916 0.775 -7.126 127 HB2 LYS 36 HB2 LYS 36 -7.957 2.948 -7.929 128 HB3 LYS 36 HB3 LYS 36 -7.265 1.957 -9.208 129 HG2 LYS 36 HG2 LYS 36 -9.512 1.160 -9.838 130 HG3 LYS 36 HG3 LYS 36 -10.227 2.127 -8.547 131 HD2 LYS 36 HD2 LYS 36 -8.670 3.248 -10.915 132 HD3 LYS 36 HD3 LYS 36 -10.429 3.202 -10.794 133 HE2 LYS 36 HE2 LYS 36 -8.585 4.720 -8.914 134 HE3 LYS 36 HE3 LYS 36 -9.505 5.432 -10.239 135 HZ1 LYS 36 HZ1 LYS 36 -11.542 4.765 -9.146 136 HZ2 LYS 36 HZ2 LYS 36 -10.607 5.729 -8.125 137 HZ3 LYS 36 HZ3 LYS 36 -10.673 4.062 -7.880 138 H GLU 37 H GLU 37 -7.388 1.453 -5.081 139 HA GLU 37 HA GLU 37 -10.173 1.399 -4.098 140 HB2 GLU 37 HB2 GLU 37 -9.145 -0.804 -3.610 141 HB3 GLU 37 HB3 GLU 37 -7.799 -0.013 -2.797 142 HG2 GLU 37 HG2 GLU 37 -9.360 -0.912 -1.171 143 HG3 GLU 37 HG3 GLU 37 -9.328 0.843 -1.072 144 H GLU 38 H GLU 38 -10.626 3.046 -2.735 145 HA GLU 38 HA GLU 38 -8.498 4.974 -2.115 146 HB2 GLU 38 HB2 GLU 38 -10.357 5.829 -3.489 147 HB3 GLU 38 HB3 GLU 38 -11.516 5.330 -2.259 148 HG2 GLU 38 HG2 GLU 38 -10.460 6.922 -0.656 149 HG3 GLU 38 HG3 GLU 38 -9.377 7.461 -1.937 150 H PHE 39 H PHE 39 -7.757 4.826 -0.143 151 HA PHE 39 HA PHE 39 -9.306 3.887 2.139 152 HB2 PHE 39 HB2 PHE 39 -6.408 4.836 1.944 153 HB3 PHE 39 HB3 PHE 39 -7.152 4.127 3.379 154 HD1 PHE 39 HD1 PHE 39 -5.892 3.439 -0.033 155 HD2 PHE 39 HD2 PHE 39 -7.556 1.725 3.513 156 HE1 PHE 39 HE1 PHE 39 -5.294 1.182 -0.828 157 HE2 PHE 39 HE2 PHE 39 -6.957 -0.520 2.707 158 HZ PHE 39 HZ PHE 39 -5.825 -0.791 0.537 159 H ALA 40 H ALA 40 -9.260 5.188 4.148 160 HA ALA 40 HA ALA 40 -9.225 8.131 3.771 161 HB1 ALA 40 HB1 ALA 40 -11.266 8.262 5.162 162 HB2 ALA 40 HB2 ALA 40 -11.342 6.501 5.227 163 HB3 ALA 40 HB3 ALA 40 -11.554 7.336 3.689 164 H VAL 41 H VAL 41 -7.654 8.837 5.062 165 HA VAL 41 HA VAL 41 -7.120 7.605 7.696 166 HB VAL 41 HB VAL 41 -4.690 7.842 7.355 167 HG11 VAL 41 HG11 VAL 41 -4.318 5.996 5.769 168 HG12 VAL 41 HG12 VAL 41 -5.946 6.203 5.122 169 HG13 VAL 41 HG13 VAL 41 -5.721 5.679 6.791 170 HG21 VAL 41 HG21 VAL 41 -3.713 8.356 5.126 171 HG22 VAL 41 HG22 VAL 41 -4.623 9.721 5.766 172 HG23 VAL 41 HG23 VAL 41 -5.325 8.713 4.500 173 HA PRO 42 HA PRO 42 -7.575 11.856 8.880 174 HB2 PRO 42 HB2 PRO 42 -6.949 11.753 11.486 175 HB3 PRO 42 HB3 PRO 42 -8.304 10.810 10.847 176 HG2 PRO 42 HG2 PRO 42 -5.498 9.901 11.475 177 HG3 PRO 42 HG3 PRO 42 -7.040 9.115 11.881 178 HD2 PRO 42 HD2 PRO 42 -5.478 8.431 9.695 179 HD3 PRO 42 HD3 PRO 42 -7.230 8.149 9.787 180 H GLU 43 H GLU 43 -5.215 11.624 7.378 181 HA GLU 43 HA GLU 43 -3.438 12.875 6.756 182 HB2 GLU 43 HB2 GLU 43 -4.274 14.716 9.037 183 HB3 GLU 43 HB3 GLU 43 -3.201 15.151 7.707 184 HG2 GLU 43 HG2 GLU 43 -5.032 14.909 6.106 185 HG3 GLU 43 HG3 GLU 43 -6.111 14.356 7.387 186 H ASN 44 H ASN 44 -3.257 11.000 9.290 187 HA ASN 44 HA ASN 44 -0.748 12.041 10.478 188 HB2 ASN 44 HB2 ASN 44 -2.618 11.969 12.092 189 HB3 ASN 44 HB3 ASN 44 -2.919 10.279 11.711 190 HD21 ASN 44 HD21 ASN 44 -0.712 12.504 13.302 191 HD22 ASN 44 HD22 ASN 44 0.081 11.312 14.268 192 H SER 45 H SER 45 -2.412 9.296 9.031 193 HA SER 45 HA SER 45 -0.550 7.268 9.517 194 HB2 SER 45 HB2 SER 45 -2.348 7.587 7.081 195 HB3 SER 45 HB3 SER 45 -1.646 6.081 7.685 196 HG SER 45 HG SER 45 -3.599 6.060 8.560 197 H SER 46 H SER 46 1.558 7.903 9.191 198 HA SER 46 HA SER 46 2.729 8.843 6.790 199 HB2 SER 46 HB2 SER 46 4.817 7.834 7.746 200 HB3 SER 46 HB3 SER 46 3.939 8.779 8.951 201 HG SER 46 HG SER 46 3.922 7.027 10.107 202 H VAL 47 H VAL 47 4.258 7.301 5.445 203 HA VAL 47 HA VAL 47 2.868 5.195 4.208 204 HB VAL 47 HB VAL 47 5.875 5.671 4.398 205 HG11 VAL 47 HG11 VAL 47 6.136 4.238 2.417 206 HG12 VAL 47 HG12 VAL 47 4.413 3.860 2.438 207 HG13 VAL 47 HG13 VAL 47 5.449 3.326 3.761 208 HG21 VAL 47 HG21 VAL 47 5.646 6.757 2.209 209 HG22 VAL 47 HG22 VAL 47 4.593 7.533 3.387 210 HG23 VAL 47 HG23 VAL 47 3.911 6.426 2.195 211 H GLN 48 H GLN 48 5.019 5.240 6.989 212 HA GLN 48 HA GLN 48 5.385 2.502 7.509 213 HB2 GLN 48 HB2 GLN 48 6.673 4.318 8.595 214 HB3 GLN 48 HB3 GLN 48 5.237 4.833 9.466 215 HG2 GLN 48 HG2 GLN 48 5.196 2.703 10.689 216 HG3 GLN 48 HG3 GLN 48 6.599 2.145 9.784 217 HE21 GLN 48 HE21 GLN 48 7.853 1.853 11.625 218 HE22 GLN 48 HE22 GLN 48 8.456 3.167 12.569 219 H GLN 49 H GLN 49 2.689 4.663 8.354 220 HA GLN 49 HA GLN 49 1.355 2.547 9.919 221 HB2 GLN 49 HB2 GLN 49 1.487 4.853 10.881 222 HB3 GLN 49 HB3 GLN 49 0.547 5.460 9.524 223 HG2 GLN 49 HG2 GLN 49 -0.860 5.177 11.511 224 HG3 GLN 49 HG3 GLN 49 -1.384 4.105 10.210 225 HE21 GLN 49 HE21 GLN 49 -2.320 2.517 11.451 226 HE22 GLN 49 HE22 GLN 49 -1.477 1.543 12.600 227 H PHE 50 H PHE 50 1.314 3.841 6.750 228 HA PHE 50 HA PHE 50 -1.537 3.589 6.304 229 HB2 PHE 50 HB2 PHE 50 -0.249 5.439 5.278 230 HB3 PHE 50 HB3 PHE 50 0.693 4.273 4.352 231 HD1 PHE 50 HD1 PHE 50 -2.957 4.901 5.031 232 HD2 PHE 50 HD2 PHE 50 0.066 4.201 2.096 233 HE1 PHE 50 HE1 PHE 50 -4.648 5.005 3.255 234 HE2 PHE 50 HE2 PHE 50 -1.629 4.305 0.326 235 HZ PHE 50 HZ PHE 50 -3.991 4.701 0.905 236 H LYS 51 H LYS 51 1.416 1.846 5.267 237 HA LYS 51 HA LYS 51 0.022 0.027 3.549 238 HB2 LYS 51 HB2 LYS 51 2.048 -0.994 3.077 239 HB3 LYS 51 HB3 LYS 51 2.573 0.608 3.539 240 HG2 LYS 51 HG2 LYS 51 2.733 -1.892 5.253 241 HG3 LYS 51 HG3 LYS 51 4.072 -1.135 4.392 242 HD2 LYS 51 HD2 LYS 51 3.652 0.941 5.824 243 HD3 LYS 51 HD3 LYS 51 2.543 -0.046 6.782 244 HE2 LYS 51 HE2 LYS 51 5.523 -0.500 6.408 245 HE3 LYS 51 HE3 LYS 51 4.710 0.033 7.880 246 HZ1 LYS 51 HZ1 LYS 51 3.503 -2.121 7.812 247 HZ2 LYS 51 HZ2 LYS 51 5.155 -2.245 8.101 248 HZ3 LYS 51 HZ3 LYS 51 4.543 -2.608 6.572 249 H GLU 52 H GLU 52 0.466 0.175 6.920 250 HA GLU 52 HA GLU 52 -0.177 -2.424 7.794 251 HB2 GLU 52 HB2 GLU 52 -0.937 0.261 9.028 252 HB3 GLU 52 HB3 GLU 52 -0.951 -1.279 9.869 253 HG2 GLU 52 HG2 GLU 52 1.576 -0.098 8.701 254 HG3 GLU 52 HG3 GLU 52 1.008 0.304 10.320 255 H GLU 53 H GLU 53 -2.192 0.378 6.953 256 HA GLU 53 HA GLU 53 -4.724 -0.906 7.454 257 HB2 GLU 53 HB2 GLU 53 -4.011 1.724 6.102 258 HB3 GLU 53 HB3 GLU 53 -5.650 1.233 6.537 259 HG2 GLU 53 HG2 GLU 53 -5.115 1.265 8.894 260 HG3 GLU 53 HG3 GLU 53 -3.404 1.508 8.552 261 H ILE 54 H ILE 54 -2.651 -0.552 4.674 262 HA ILE 54 HA ILE 54 -4.556 -1.365 2.687 263 HB ILE 54 HB ILE 54 -1.505 -1.581 2.673 264 HG12 ILE 54 HG12 ILE 54 -3.313 0.575 1.474 265 HG13 ILE 54 HG13 ILE 54 -2.313 0.767 2.909 266 HG21 ILE 54 HG21 ILE 54 -2.493 -3.097 1.009 267 HG22 ILE 54 HG22 ILE 54 -1.683 -1.751 0.212 268 HG23 ILE 54 HG23 ILE 54 -3.444 -1.770 0.335 269 HD11 ILE 54 HD11 ILE 54 -0.302 0.477 1.546 270 HD12 ILE 54 HD12 ILE 54 -1.301 1.812 0.975 271 HD13 ILE 54 HD13 ILE 54 -1.305 0.279 0.105 272 H SER 55 H SER 55 -2.505 -3.019 4.988 273 HA SER 55 HA SER 55 -2.292 -5.565 3.890 274 HB2 SER 55 HB2 SER 55 -0.926 -4.861 5.773 275 HB3 SER 55 HB3 SER 55 -2.339 -4.730 6.811 276 HG SER 55 HG SER 55 -2.054 -7.209 5.656 277 H LYS 56 H LYS 56 -4.943 -4.220 5.857 278 HA LYS 56 HA LYS 56 -6.359 -6.702 6.184 279 HB2 LYS 56 HB2 LYS 56 -8.198 -5.344 7.067 280 HB3 LYS 56 HB3 LYS 56 -6.678 -4.766 7.735 281 HG2 LYS 56 HG2 LYS 56 -6.691 -2.864 6.179 282 HG3 LYS 56 HG3 LYS 56 -8.165 -3.468 5.429 283 HD2 LYS 56 HD2 LYS 56 -8.806 -1.672 6.874 284 HD3 LYS 56 HD3 LYS 56 -9.335 -3.160 7.654 285 HE2 LYS 56 HE2 LYS 56 -6.756 -1.733 8.378 286 HE3 LYS 56 HE3 LYS 56 -8.291 -1.403 9.176 287 HZ1 LYS 56 HZ1 LYS 56 -8.358 -3.799 9.785 288 HZ2 LYS 56 HZ2 LYS 56 -7.084 -2.946 10.485 289 HZ3 LYS 56 HZ3 LYS 56 -6.790 -3.960 9.174 290 H ARG 57 H ARG 57 -6.325 -4.186 3.776 291 HA ARG 57 HA ARG 57 -8.928 -4.540 2.717 292 HB2 ARG 57 HB2 ARG 57 -7.569 -2.447 2.562 293 HB3 ARG 57 HB3 ARG 57 -6.492 -3.253 1.431 294 HG2 ARG 57 HG2 ARG 57 -7.934 -1.894 0.129 295 HG3 ARG 57 HG3 ARG 57 -8.487 -3.550 -0.116 296 HD2 ARG 57 HD2 ARG 57 -9.747 -1.654 1.886 297 HD3 ARG 57 HD3 ARG 57 -10.290 -1.792 0.215 298 HE ARG 57 HE ARG 57 -10.400 -4.352 1.105 299 HH11 ARG 57 HH11 ARG 57 -11.686 -1.363 2.436 300 HH12 ARG 57 HH12 ARG 57 -13.133 -2.115 3.024 301 HH21 ARG 57 HH21 ARG 57 -12.293 -5.320 1.894 302 HH22 ARG 57 HH22 ARG 57 -13.475 -4.354 2.719 303 H PHE 58 H PHE 58 -5.720 -5.531 1.548 304 HA PHE 58 HA PHE 58 -6.937 -7.290 -0.503 305 HB2 PHE 58 HB2 PHE 58 -4.047 -6.327 -0.248 306 HB3 PHE 58 HB3 PHE 58 -4.730 -7.241 -1.597 307 HD1 PHE 58 HD1 PHE 58 -6.545 -6.153 -3.030 308 HD2 PHE 58 HD2 PHE 58 -4.285 -3.930 -0.164 309 HE1 PHE 58 HE1 PHE 58 -7.261 -4.049 -4.088 310 HE2 PHE 58 HE2 PHE 58 -5.001 -1.829 -1.237 311 HZ PHE 58 HZ PHE 58 -6.495 -1.892 -3.194 312 H LYS 59 H LYS 59 -6.115 -7.492 2.605 313 HA LYS 59 HA LYS 59 -5.684 -9.078 4.112 314 HB2 LYS 59 HB2 LYS 59 -6.527 -11.026 1.935 315 HB3 LYS 59 HB3 LYS 59 -6.445 -11.382 3.653 316 HG2 LYS 59 HG2 LYS 59 -8.727 -11.041 3.337 317 HG3 LYS 59 HG3 LYS 59 -8.197 -9.455 3.906 318 HD2 LYS 59 HD2 LYS 59 -8.077 -8.709 1.513 319 HD3 LYS 59 HD3 LYS 59 -8.735 -10.271 1.027 320 HE2 LYS 59 HE2 LYS 59 -10.788 -9.778 2.331 321 HE3 LYS 59 HE3 LYS 59 -10.110 -8.204 2.770 322 HZ1 LYS 59 HZ1 LYS 59 -11.638 -8.065 0.883 323 HZ2 LYS 59 HZ2 LYS 59 -10.653 -9.110 -0.008 324 HZ3 LYS 59 HZ3 LYS 59 -10.073 -7.590 0.449 325 H SER 60 H SER 60 -3.506 -8.284 2.286 326 HA SER 60 HA SER 60 -1.710 -10.639 2.396 327 HB2 SER 60 HB2 SER 60 -2.009 -9.613 0.135 328 HB3 SER 60 HB3 SER 60 -1.414 -8.075 0.763 329 HG SER 60 HG SER 60 -0.005 -10.527 0.515 330 H HIS 61 H HIS 61 0.519 -10.182 3.072 331 HA HIS 61 HA HIS 61 0.472 -8.684 5.542 332 HB2 HIS 61 HB2 HIS 61 2.629 -10.370 4.226 333 HB3 HIS 61 HB3 HIS 61 2.879 -9.534 5.757 334 HD1 HIS 61 HD1 HIS 61 1.675 -12.678 4.401 335 HD2 HIS 61 HD2 HIS 61 0.969 -10.447 7.837 336 HE1 HIS 61 HE1 HIS 61 0.655 -14.271 6.044 337 HE2 HIS 61 HE2 HIS 61 0.101 -12.869 8.055 338 H THR 62 H THR 62 1.922 -7.014 6.135 339 HA THR 62 HA THR 62 2.024 -4.869 4.326 340 HB THR 62 HB THR 62 3.362 -3.704 6.119 341 HG1 THR 62 HG1 THR 62 4.403 -4.905 7.506 342 HG21 THR 62 HG21 THR 62 1.652 -3.780 7.873 343 HG22 THR 62 HG22 THR 62 0.981 -5.261 7.186 344 HG23 THR 62 HG23 THR 62 0.894 -3.747 6.281 345 H ASP 63 H ASP 63 4.483 -7.192 5.302 346 HA ASP 63 HA ASP 63 6.769 -5.997 4.134 347 HB2 ASP 63 HB2 ASP 63 6.987 -7.779 5.784 348 HB3 ASP 63 HB3 ASP 63 6.106 -8.909 4.761 349 H GLN 64 H GLN 64 4.166 -7.925 2.811 350 HA GLN 64 HA GLN 64 5.535 -8.664 0.373 351 HB2 GLN 64 HB2 GLN 64 2.607 -8.997 1.138 352 HB3 GLN 64 HB3 GLN 64 3.402 -9.752 -0.243 353 HG2 GLN 64 HG2 GLN 64 4.879 -11.013 1.295 354 HG3 GLN 64 HG3 GLN 64 4.083 -10.257 2.674 355 HE21 GLN 64 HE21 GLN 64 2.419 -11.428 -0.220 356 HE22 GLN 64 HE22 GLN 64 1.577 -12.706 0.570 357 H LEU 65 H LEU 65 3.053 -6.291 1.332 358 HA LEU 65 HA LEU 65 2.881 -5.287 -1.431 359 HB2 LEU 65 HB2 LEU 65 0.960 -3.901 -0.558 360 HB3 LEU 65 HB3 LEU 65 0.736 -5.631 -0.520 361 HG LEU 65 HG LEU 65 1.488 -5.359 2.034 362 HD11 LEU 65 HD11 LEU 65 0.333 -2.612 1.476 363 HD12 LEU 65 HD12 LEU 65 1.988 -2.975 1.971 364 HD13 LEU 65 HD13 LEU 65 0.654 -3.300 3.072 365 HD21 LEU 65 HD21 LEU 65 -0.881 -5.219 2.684 366 HD22 LEU 65 HD22 LEU 65 -0.643 -6.304 1.318 367 HD23 LEU 65 HD23 LEU 65 -1.304 -4.689 1.052 368 H VAL 66 H VAL 66 3.949 -3.535 -2.085 369 HA VAL 66 HA VAL 66 5.136 -1.672 -0.115 370 HB VAL 66 HB VAL 66 7.177 -1.492 -1.524 371 HG11 VAL 66 HG11 VAL 66 7.208 -3.064 0.367 372 HG12 VAL 66 HG12 VAL 66 8.208 -3.662 -0.955 373 HG13 VAL 66 HG13 VAL 66 6.612 -4.359 -0.676 374 HG21 VAL 66 HG21 VAL 66 7.648 -3.117 -3.344 375 HG22 VAL 66 HG22 VAL 66 6.255 -2.108 -3.729 376 HG23 VAL 66 HG23 VAL 66 6.012 -3.768 -3.188 377 H LEU 67 H LEU 67 4.978 0.467 -0.599 378 HA LEU 67 HA LEU 67 3.284 1.284 -2.826 379 HB2 LEU 67 HB2 LEU 67 4.499 2.811 -0.489 380 HB3 LEU 67 HB3 LEU 67 3.494 3.560 -1.719 381 HG LEU 67 HG LEU 67 2.543 1.339 0.131 382 HD11 LEU 67 HD11 LEU 67 3.004 3.356 1.420 383 HD12 LEU 67 HD12 LEU 67 1.271 3.078 1.308 384 HD13 LEU 67 HD13 LEU 67 2.028 4.320 0.308 385 HD21 LEU 67 HD21 LEU 67 1.323 1.385 -2.014 386 HD22 LEU 67 HD22 LEU 67 0.973 3.099 -1.792 387 HD23 LEU 67 HD23 LEU 67 0.287 1.910 -0.690 388 H ILE 68 H ILE 68 3.986 2.377 -4.591 389 HA ILE 68 HA ILE 68 6.783 3.330 -4.747 390 HB ILE 68 HB ILE 68 5.119 2.121 -7.016 391 HG12 ILE 68 HG12 ILE 68 7.267 0.589 -7.147 392 HG13 ILE 68 HG13 ILE 68 7.554 1.102 -5.495 393 HG21 ILE 68 HG21 ILE 68 7.080 2.518 -8.502 394 HG22 ILE 68 HG22 ILE 68 7.870 3.414 -7.198 395 HG23 ILE 68 HG23 ILE 68 6.369 4.018 -7.899 396 HD11 ILE 68 HD11 ILE 68 6.452 -1.047 -5.563 397 HD12 ILE 68 HD12 ILE 68 5.127 -0.376 -6.509 398 HD13 ILE 68 HD13 ILE 68 5.376 0.151 -4.844 399 H PHE 69 H PHE 69 7.023 5.398 -5.450 400 HA PHE 69 HA PHE 69 5.206 6.795 -7.125 401 HB2 PHE 69 HB2 PHE 69 4.065 6.903 -4.807 402 HB3 PHE 69 HB3 PHE 69 5.402 7.926 -4.295 403 HD1 PHE 69 HD1 PHE 69 2.507 7.668 -6.600 404 HD2 PHE 69 HD2 PHE 69 5.479 10.269 -4.953 405 HE1 PHE 69 HE1 PHE 69 1.309 9.618 -7.501 406 HE2 PHE 69 HE2 PHE 69 4.276 12.205 -5.860 407 HZ PHE 69 HZ PHE 69 2.197 11.886 -7.134 408 H ALA 70 H ALA 70 6.156 8.630 -7.993 409 HA ALA 70 HA ALA 70 7.714 10.112 -8.660 410 HB1 ALA 70 HB1 ALA 70 8.763 10.002 -5.818 411 HB2 ALA 70 HB2 ALA 70 7.445 11.027 -6.385 412 HB3 ALA 70 HB3 ALA 70 9.078 11.272 -7.005 413 H GLY 71 H GLY 71 8.314 7.141 -8.662 414 HA2 GLY 71 HA2 GLY 71 9.903 6.058 -9.988 415 HA3 GLY 71 HA3 GLY 71 11.009 7.402 -9.767 416 H LYS 72 H LYS 72 9.623 6.279 -6.845 417 HA LYS 72 HA LYS 72 11.753 4.318 -6.275 418 HB2 LYS 72 HB2 LYS 72 12.265 5.398 -4.097 419 HB3 LYS 72 HB3 LYS 72 12.701 6.431 -5.454 420 HG2 LYS 72 HG2 LYS 72 10.894 7.931 -5.042 421 HG3 LYS 72 HG3 LYS 72 10.067 6.777 -3.995 422 HD2 LYS 72 HD2 LYS 72 11.186 8.678 -2.757 423 HD3 LYS 72 HD3 LYS 72 11.686 7.068 -2.236 424 HE2 LYS 72 HE2 LYS 72 13.748 7.250 -3.538 425 HE3 LYS 72 HE3 LYS 72 13.245 8.825 -4.158 426 HZ1 LYS 72 HZ1 LYS 72 13.730 8.211 -1.297 427 HZ2 LYS 72 HZ2 LYS 72 13.384 9.727 -1.951 428 HZ3 LYS 72 HZ3 LYS 72 14.844 8.965 -2.320 429 H ILE 73 H ILE 73 11.287 3.101 -4.247 430 HA ILE 73 HA ILE 73 8.438 2.834 -3.679 431 HB ILE 73 HB ILE 73 8.895 0.973 -2.259 432 HG12 ILE 73 HG12 ILE 73 10.869 1.945 -0.982 433 HG13 ILE 73 HG13 ILE 73 11.051 0.247 -1.394 434 HG21 ILE 73 HG21 ILE 73 10.202 -0.548 -3.733 435 HG22 ILE 73 HG22 ILE 73 10.793 0.855 -4.625 436 HG23 ILE 73 HG23 ILE 73 9.072 0.467 -4.631 437 HD11 ILE 73 HD11 ILE 73 12.357 2.552 -2.835 438 HD12 ILE 73 HD12 ILE 73 12.581 0.836 -3.192 439 HD13 ILE 73 HD13 ILE 73 13.123 1.497 -1.650 440 H LEU 74 H LEU 74 7.412 3.590 -1.854 441 HA LEU 74 HA LEU 74 8.575 5.815 -0.472 442 HB2 LEU 74 HB2 LEU 74 5.916 4.423 0.049 443 HB3 LEU 74 HB3 LEU 74 6.399 6.001 0.648 444 HG LEU 74 HG LEU 74 5.741 5.238 -2.215 445 HD11 LEU 74 HD11 LEU 74 3.792 5.681 -0.796 446 HD12 LEU 74 HD12 LEU 74 3.975 6.948 -2.005 447 HD13 LEU 74 HD13 LEU 74 4.457 7.251 -0.333 448 HD21 LEU 74 HD21 LEU 74 6.915 7.871 -1.232 449 HD22 LEU 74 HD22 LEU 74 6.244 7.598 -2.841 450 HD23 LEU 74 HD23 LEU 74 7.681 6.718 -2.331 451 H LYS 75 H LYS 75 9.186 5.957 1.658 452 HA LYS 75 HA LYS 75 9.955 3.383 2.911 453 HB2 LYS 75 HB2 LYS 75 11.223 6.124 3.338 454 HB3 LYS 75 HB3 LYS 75 11.861 4.565 3.848 455 HG2 LYS 75 HG2 LYS 75 11.628 5.593 1.001 456 HG3 LYS 75 HG3 LYS 75 13.108 5.384 1.928 457 HD2 LYS 75 HD2 LYS 75 11.292 3.075 1.120 458 HD3 LYS 75 HD3 LYS 75 12.659 3.616 0.155 459 HE2 LYS 75 HE2 LYS 75 13.394 1.704 1.407 460 HE3 LYS 75 HE3 LYS 75 14.152 3.114 2.141 461 HZ1 LYS 75 HZ1 LYS 75 11.701 1.798 3.180 462 HZ2 LYS 75 HZ2 LYS 75 12.584 3.036 3.923 463 HZ3 LYS 75 HZ3 LYS 75 13.265 1.506 3.750 464 H ASP 76 H ASP 76 10.178 3.508 5.356 465 HA ASP 76 HA ASP 76 7.668 4.195 6.504 466 HB2 ASP 76 HB2 ASP 76 8.563 3.323 8.608 467 HB3 ASP 76 HB3 ASP 76 9.004 2.258 7.284 468 H GLN 77 H GLN 77 10.833 5.776 6.524 469 HA GLN 77 HA GLN 77 10.099 7.835 8.416 470 HB2 GLN 77 HB2 GLN 77 12.259 8.855 7.868 471 HB3 GLN 77 HB3 GLN 77 12.452 7.135 8.181 472 HG2 GLN 77 HG2 GLN 77 12.686 6.669 5.807 473 HG3 GLN 77 HG3 GLN 77 12.300 8.343 5.402 474 HE21 GLN 77 HE21 GLN 77 14.235 8.713 4.330 475 HE22 GLN 77 HE22 GLN 77 15.761 8.817 5.139 476 H ASP 78 H ASP 78 9.333 7.273 5.215 477 HA ASP 78 HA ASP 78 8.914 10.086 4.507 478 HB2 ASP 78 HB2 ASP 78 9.819 8.698 2.710 479 HB3 ASP 78 HB3 ASP 78 8.532 7.513 2.918 480 H THR 79 H THR 79 6.873 10.909 4.142 481 HA THR 79 HA THR 79 4.513 9.332 5.013 482 HB THR 79 HB THR 79 3.440 11.614 5.401 483 HG1 THR 79 HG1 THR 79 6.065 12.685 5.371 484 HG21 THR 79 HG21 THR 79 4.368 10.351 7.307 485 HG22 THR 79 HG22 THR 79 4.553 12.087 7.538 486 HG23 THR 79 HG23 THR 79 5.941 11.113 7.049 487 H LEU 80 H LEU 80 2.690 9.413 3.644 488 HA LEU 80 HA LEU 80 3.161 9.551 0.877 489 HB2 LEU 80 HB2 LEU 80 0.592 9.422 0.684 490 HB3 LEU 80 HB3 LEU 80 1.425 8.109 1.486 491 HG LEU 80 HG LEU 80 0.775 9.410 3.704 492 HD11 LEU 80 HD11 LEU 80 -0.150 11.417 2.688 493 HD12 LEU 80 HD12 LEU 80 -1.367 10.572 3.638 494 HD13 LEU 80 HD13 LEU 80 -1.391 10.460 1.874 495 HD21 LEU 80 HD21 LEU 80 0.002 7.158 3.172 496 HD22 LEU 80 HD22 LEU 80 -1.294 7.813 2.170 497 HD23 LEU 80 HD23 LEU 80 -1.284 8.107 3.912 498 H SER 81 H SER 81 1.800 11.921 3.114 499 HA SER 81 HA SER 81 1.034 13.896 1.232 500 HB2 SER 81 HB2 SER 81 0.145 13.811 3.551 501 HB3 SER 81 HB3 SER 81 1.736 14.228 4.182 502 HG SER 81 HG SER 81 0.204 16.019 3.937 503 H GLN 82 H GLN 82 4.165 13.099 2.637 504 HA GLN 82 HA GLN 82 5.525 15.539 2.043 505 HB2 GLN 82 HB2 GLN 82 6.384 13.720 3.593 506 HB3 GLN 82 HB3 GLN 82 6.779 12.761 2.174 507 HG2 GLN 82 HG2 GLN 82 8.776 13.869 2.998 508 HG3 GLN 82 HG3 GLN 82 8.346 14.549 1.427 509 HE21 GLN 82 HE21 GLN 82 9.410 16.502 1.799 510 HE22 GLN 82 HE22 GLN 82 8.892 17.665 2.963 511 H HIS 83 H HIS 83 4.901 12.578 0.207 512 HA HIS 83 HA HIS 83 6.258 13.550 -2.189 513 HB2 HIS 83 HB2 HIS 83 4.864 10.995 -1.411 514 HB3 HIS 83 HB3 HIS 83 4.969 11.369 -3.128 515 HD1 HIS 83 HD1 HIS 83 7.074 10.327 -0.216 516 HD2 HIS 83 HD2 HIS 83 7.559 11.317 -4.218 517 HE1 HIS 83 HE1 HIS 83 9.419 9.653 -0.808 518 HE2 HIS 83 HE2 HIS 83 9.744 10.449 -3.168 519 H GLY 84 H GLY 84 3.551 14.605 -0.821 520 HA2 GLY 84 HA2 GLY 84 2.126 16.216 -1.685 521 HA3 GLY 84 HA3 GLY 84 2.562 15.733 -3.319 522 H ILE 85 H ILE 85 1.756 13.053 -1.454 523 HA ILE 85 HA ILE 85 -0.730 12.641 -2.919 524 HB ILE 85 HB ILE 85 0.586 10.779 -0.885 525 HG12 ILE 85 HG12 ILE 85 0.968 10.649 -3.920 526 HG13 ILE 85 HG13 ILE 85 2.137 11.380 -2.824 527 HG21 ILE 85 HG21 ILE 85 -1.427 10.185 -3.094 528 HG22 ILE 85 HG22 ILE 85 -1.776 10.274 -1.366 529 HG23 ILE 85 HG23 ILE 85 -0.724 9.008 -1.985 530 HD11 ILE 85 HD11 ILE 85 2.800 9.142 -3.416 531 HD12 ILE 85 HD12 ILE 85 1.271 8.497 -2.827 532 HD13 ILE 85 HD13 ILE 85 2.417 9.222 -1.695 533 H HIS 86 H HIS 86 -2.579 13.383 -2.042 534 HA HIS 86 HA HIS 86 -3.192 13.001 0.778 535 HB2 HIS 86 HB2 HIS 86 -3.881 15.401 1.097 536 HB3 HIS 86 HB3 HIS 86 -2.152 15.213 0.848 537 HD1 HIS 86 HD1 HIS 86 -1.156 16.186 -1.351 538 HD2 HIS 86 HD2 HIS 86 -5.233 16.846 -0.886 539 HE1 HIS 86 HE1 HIS 86 -1.760 17.926 -3.052 540 HE2 HIS 86 HE2 HIS 86 -4.241 18.248 -2.809 541 H ASP 87 H ASP 87 -5.534 14.792 0.519 542 HA ASP 87 HA ASP 87 -7.634 13.238 -0.170 543 HB2 ASP 87 HB2 ASP 87 -7.394 16.250 -0.598 544 HB3 ASP 87 HB3 ASP 87 -8.915 15.363 -0.541 545 H GLY 88 H GLY 88 -7.804 12.074 -2.041 546 HA2 GLY 88 HA2 GLY 88 -8.786 11.887 -4.163 547 HA3 GLY 88 HA3 GLY 88 -8.260 13.508 -4.561 548 H LEU 89 H LEU 89 -5.489 12.415 -3.412 549 HA LEU 89 HA LEU 89 -4.428 11.877 -6.065 550 HB2 LEU 89 HB2 LEU 89 -3.084 12.224 -3.364 551 HB3 LEU 89 HB3 LEU 89 -2.186 11.775 -4.802 552 HG LEU 89 HG LEU 89 -1.902 14.148 -4.395 553 HD11 LEU 89 HD11 LEU 89 -3.726 13.760 -6.787 554 HD12 LEU 89 HD12 LEU 89 -1.989 13.456 -6.741 555 HD13 LEU 89 HD13 LEU 89 -2.595 15.094 -6.532 556 HD21 LEU 89 HD21 LEU 89 -3.917 14.585 -3.083 557 HD22 LEU 89 HD22 LEU 89 -4.914 14.442 -4.534 558 HD23 LEU 89 HD23 LEU 89 -3.741 15.755 -4.391 559 H THR 90 H THR 90 -2.849 10.090 -6.394 560 HA THR 90 HA THR 90 -3.794 7.568 -5.186 561 HB THR 90 HB THR 90 -3.253 8.045 -8.153 562 HG1 THR 90 HG1 THR 90 -5.247 8.956 -7.087 563 HG21 THR 90 HG21 THR 90 -2.805 5.699 -7.492 564 HG22 THR 90 HG22 THR 90 -4.271 5.798 -8.467 565 HG23 THR 90 HG23 THR 90 -4.387 5.604 -6.718 566 H VAL 91 H VAL 91 -2.273 6.154 -4.634 567 HA VAL 91 HA VAL 91 0.578 6.593 -5.271 568 HB VAL 91 HB VAL 91 -0.374 4.454 -3.317 569 HG11 VAL 91 HG11 VAL 91 2.009 4.532 -3.890 570 HG12 VAL 91 HG12 VAL 91 1.771 4.928 -2.187 571 HG13 VAL 91 HG13 VAL 91 2.112 6.212 -3.352 572 HG21 VAL 91 HG21 VAL 91 -0.354 6.030 -1.420 573 HG22 VAL 91 HG22 VAL 91 -1.630 6.418 -2.575 574 HG23 VAL 91 HG23 VAL 91 -0.154 7.377 -2.541 575 H HIS 92 H HIS 92 1.830 4.653 -5.922 576 HA HIS 92 HA HIS 92 0.276 2.587 -7.367 577 HB2 HIS 92 HB2 HIS 92 3.308 2.997 -7.279 578 HB3 HIS 92 HB3 HIS 92 2.434 1.893 -8.337 579 HD1 HIS 92 HD1 HIS 92 2.342 2.786 -10.643 580 HD2 HIS 92 HD2 HIS 92 2.244 5.842 -7.835 581 HE1 HIS 92 HE1 HIS 92 2.210 4.915 -11.964 582 HE2 HIS 92 HE2 HIS 92 1.959 6.725 -10.239 583 H LEU 93 H LEU 93 0.432 0.389 -6.770 584 HA LEU 93 HA LEU 93 2.009 -0.316 -4.373 585 HB2 LEU 93 HB2 LEU 93 -0.394 0.099 -3.729 586 HB3 LEU 93 HB3 LEU 93 -0.885 -1.167 -4.842 587 HG LEU 93 HG LEU 93 0.522 -2.793 -3.447 588 HD11 LEU 93 HD11 LEU 93 1.954 -1.146 -2.319 589 HD12 LEU 93 HD12 LEU 93 1.123 -2.183 -1.171 590 HD13 LEU 93 HD13 LEU 93 0.560 -0.531 -1.428 591 HD21 LEU 93 HD21 LEU 93 -1.904 -2.755 -3.237 592 HD22 LEU 93 HD22 LEU 93 -1.823 -1.444 -2.061 593 HD23 LEU 93 HD23 LEU 93 -1.168 -3.034 -1.663 594 H VAL 94 H VAL 94 3.047 -2.172 -4.561 595 HA VAL 94 HA VAL 94 2.308 -4.149 -6.640 596 HB VAL 94 HB VAL 94 5.113 -3.178 -5.872 597 HG11 VAL 94 HG11 VAL 94 4.412 -5.620 -7.553 598 HG12 VAL 94 HG12 VAL 94 5.205 -5.620 -5.978 599 HG13 VAL 94 HG13 VAL 94 6.029 -4.934 -7.374 600 HG21 VAL 94 HG21 VAL 94 5.344 -2.695 -8.289 601 HG22 VAL 94 HG22 VAL 94 3.967 -1.835 -7.608 602 HG23 VAL 94 HG23 VAL 94 3.704 -3.282 -8.585 603 H ILE 95 H ILE 95 1.520 -5.831 -5.551 604 HA ILE 95 HA ILE 95 2.486 -6.460 -2.839 605 HB ILE 95 HB ILE 95 0.084 -7.761 -4.197 606 HG12 ILE 95 HG12 ILE 95 0.054 -5.172 -2.568 607 HG13 ILE 95 HG13 ILE 95 -0.368 -5.337 -4.269 608 HG21 ILE 95 HG21 ILE 95 1.000 -8.835 -2.159 609 HG22 ILE 95 HG22 ILE 95 -0.628 -8.219 -1.892 610 HG23 ILE 95 HG23 ILE 95 0.762 -7.334 -1.259 611 HD11 ILE 95 HD11 ILE 95 -1.863 -6.517 -1.931 612 HD12 ILE 95 HD12 ILE 95 -2.280 -6.753 -3.633 613 HD13 ILE 95 HD13 ILE 95 -2.354 -5.139 -2.921 614 H LYS 96 H LYS 96 3.392 -8.403 -2.354 615 HA LYS 96 HA LYS 96 4.269 -10.143 -4.560 616 HB2 LYS 96 HB2 LYS 96 5.969 -9.121 -3.050 617 HB3 LYS 96 HB3 LYS 96 5.234 -9.923 -1.668 618 HG2 LYS 96 HG2 LYS 96 5.840 -12.120 -2.608 619 HG3 LYS 96 HG3 LYS 96 6.555 -11.329 -4.019 620 HD2 LYS 96 HD2 LYS 96 8.255 -10.262 -2.612 621 HD3 LYS 96 HD3 LYS 96 7.494 -10.896 -1.149 622 HE2 LYS 96 HE2 LYS 96 9.482 -12.208 -1.742 623 HE3 LYS 96 HE3 LYS 96 8.025 -13.193 -1.863 624 HZ1 LYS 96 HZ1 LYS 96 9.428 -11.915 -4.143 625 HZ2 LYS 96 HZ2 LYS 96 8.059 -12.892 -4.249 626 HZ3 LYS 96 HZ3 LYS 96 9.523 -13.548 -3.721 627 H THR 97 H THR 97 1.837 -10.701 -4.458 628 HA THR 97 HA THR 97 1.765 -13.478 -3.793 629 HB THR 97 HB THR 97 1.043 -12.684 -1.564 630 HG1 THR 97 HG1 THR 97 -0.658 -14.044 -1.429 631 HG21 THR 97 HG21 THR 97 0.101 -10.498 -2.154 632 HG22 THR 97 HG22 THR 97 -1.073 -11.455 -1.254 633 HG23 THR 97 HG23 THR 97 -1.233 -11.282 -3.001 634 H GLN 98 H GLN 98 -0.213 -14.505 -4.720 635 HA GLN 98 HA GLN 98 -1.474 -12.893 -6.871 636 HB2 GLN 98 HB2 GLN 98 -1.148 -14.819 -8.437 637 HB3 GLN 98 HB3 GLN 98 0.367 -14.097 -7.908 638 HG2 GLN 98 HG2 GLN 98 0.746 -15.917 -6.338 639 HG3 GLN 98 HG3 GLN 98 -0.819 -16.626 -6.728 640 HE21 GLN 98 HE21 GLN 98 1.857 -17.787 -6.916 641 HE22 GLN 98 HE22 GLN 98 2.050 -18.289 -8.558 642 H ASN 99 H ASN 99 -1.668 -15.734 -4.745 643 HA ASN 99 HA ASN 99 -4.384 -16.435 -5.607 644 HB2 ASN 99 HB2 ASN 99 -2.497 -17.704 -3.569 645 HB3 ASN 99 HB3 ASN 99 -4.110 -18.315 -3.915 646 HD21 ASN 99 HD21 ASN 99 -4.510 -19.305 -5.935 647 HD22 ASN 99 HD22 ASN 99 -3.223 -19.883 -6.934 648 H ARG 100 H ARG 100 -3.918 -13.857 -4.226 649 HA ARG 100 HA ARG 100 -5.534 -14.219 -1.776 650 HB2 ARG 100 HB2 ARG 100 -3.155 -14.016 -1.142 651 HB3 ARG 100 HB3 ARG 100 -3.019 -12.525 -2.059 652 HG2 ARG 100 HG2 ARG 100 -3.148 -12.145 0.373 653 HG3 ARG 100 HG3 ARG 100 -4.463 -11.367 -0.502 654 HD2 ARG 100 HD2 ARG 100 -4.905 -14.095 0.703 655 HD3 ARG 100 HD3 ARG 100 -4.932 -12.668 1.737 656 HE ARG 100 HE ARG 100 -6.632 -12.025 -0.316 657 HH11 ARG 100 HH11 ARG 100 -6.517 -14.644 2.032 658 HH12 ARG 100 HH12 ARG 100 -8.236 -14.853 2.059 659 HH21 ARG 100 HH21 ARG 100 -8.886 -12.286 -0.226 660 HH22 ARG 100 HH22 ARG 100 -9.576 -13.526 0.771 661 HA PRO 101 HA PRO 101 -7.490 -10.664 -3.940 662 HB2 PRO 101 HB2 PRO 101 -10.020 -11.814 -4.113 663 HB3 PRO 101 HB3 PRO 101 -8.784 -11.941 -5.362 664 HG2 PRO 101 HG2 PRO 101 -9.834 -14.055 -3.683 665 HG3 PRO 101 HG3 PRO 101 -8.629 -14.181 -4.978 666 HD2 PRO 101 HD2 PRO 101 -8.220 -14.005 -2.034 667 HD3 PRO 101 HD3 PRO 101 -7.147 -14.673 -3.286 Start of MODEL 11 1 HA PRO 23 HA PRO 23 -12.980 18.418 8.524 2 HB2 PRO 23 HB2 PRO 23 -10.324 17.125 8.468 3 HB3 PRO 23 HB3 PRO 23 -10.741 18.828 8.217 4 HG2 PRO 23 HG2 PRO 23 -9.493 17.930 10.482 5 HG3 PRO 23 HG3 PRO 23 -10.565 19.346 10.464 6 HD2 PRO 23 HD2 PRO 23 -11.170 16.523 11.359 7 HD3 PRO 23 HD3 PRO 23 -11.634 18.063 12.109 8 H LYS 24 H LYS 24 -12.407 17.151 6.448 9 HA LYS 24 HA LYS 24 -13.562 14.508 6.490 10 HB2 LYS 24 HB2 LYS 24 -13.917 15.992 4.538 11 HB3 LYS 24 HB3 LYS 24 -12.187 16.037 4.224 12 HG2 LYS 24 HG2 LYS 24 -12.191 13.641 3.687 13 HG3 LYS 24 HG3 LYS 24 -13.907 13.529 4.077 14 HD2 LYS 24 HD2 LYS 24 -12.837 15.323 1.861 15 HD3 LYS 24 HD3 LYS 24 -13.281 13.638 1.589 16 HE2 LYS 24 HE2 LYS 24 -15.125 15.065 0.911 17 HE3 LYS 24 HE3 LYS 24 -15.599 14.156 2.341 18 HZ1 LYS 24 HZ1 LYS 24 -14.716 16.994 2.325 19 HZ2 LYS 24 HZ2 LYS 24 -15.228 16.127 3.682 20 HZ3 LYS 24 HZ3 LYS 24 -16.316 16.460 2.433 21 H ILE 25 H ILE 25 -12.479 12.563 6.141 22 HA ILE 25 HA ILE 25 -9.739 12.447 7.101 23 HB ILE 25 HB ILE 25 -11.660 10.865 7.779 24 HG12 ILE 25 HG12 ILE 25 -9.078 9.534 6.852 25 HG13 ILE 25 HG13 ILE 25 -9.200 10.545 8.287 26 HG21 ILE 25 HG21 ILE 25 -12.085 8.884 6.421 27 HG22 ILE 25 HG22 ILE 25 -10.980 9.450 5.163 28 HG23 ILE 25 HG23 ILE 25 -12.485 10.328 5.486 29 HD11 ILE 25 HD11 ILE 25 -10.826 8.960 9.223 30 HD12 ILE 25 HD12 ILE 25 -9.243 8.257 8.907 31 HD13 ILE 25 HD13 ILE 25 -10.584 7.923 7.814 32 H MET 26 H MET 26 -8.035 11.284 5.880 33 HA MET 26 HA MET 26 -7.963 12.400 3.214 34 HB2 MET 26 HB2 MET 26 -6.030 12.559 4.820 35 HB3 MET 26 HB3 MET 26 -5.798 10.821 4.671 36 HG2 MET 26 HG2 MET 26 -4.241 12.129 3.270 37 HG3 MET 26 HG3 MET 26 -5.269 11.053 2.318 38 HE1 MET 26 HE1 MET 26 -4.628 14.775 3.427 39 HE2 MET 26 HE2 MET 26 -6.292 14.527 3.954 40 HE3 MET 26 HE3 MET 26 -5.944 15.611 2.605 41 H LYS 27 H LYS 27 -8.695 11.326 1.553 42 HA LYS 27 HA LYS 27 -9.171 8.452 1.614 43 HB2 LYS 27 HB2 LYS 27 -9.856 10.423 -0.613 44 HB3 LYS 27 HB3 LYS 27 -10.581 8.851 -0.315 45 HG2 LYS 27 HG2 LYS 27 -10.916 11.347 1.383 46 HG3 LYS 27 HG3 LYS 27 -12.125 10.635 0.317 47 HD2 LYS 27 HD2 LYS 27 -10.999 9.341 2.838 48 HD3 LYS 27 HD3 LYS 27 -12.567 10.142 2.707 49 HE2 LYS 27 HE2 LYS 27 -11.709 7.618 1.246 50 HE3 LYS 27 HE3 LYS 27 -12.847 7.715 2.591 51 HZ1 LYS 27 HZ1 LYS 27 -13.231 8.929 -0.096 52 HZ2 LYS 27 HZ2 LYS 27 -14.330 9.019 1.187 53 HZ3 LYS 27 HZ3 LYS 27 -13.980 7.526 0.470 54 H VAL 28 H VAL 28 -7.087 7.558 1.387 55 HA VAL 28 HA VAL 28 -5.403 8.414 -0.885 56 HB VAL 28 HB VAL 28 -4.675 6.395 1.284 57 HG11 VAL 28 HG11 VAL 28 -2.924 8.069 -0.551 58 HG12 VAL 28 HG12 VAL 28 -3.251 6.343 -0.715 59 HG13 VAL 28 HG13 VAL 28 -2.351 6.939 0.680 60 HG21 VAL 28 HG21 VAL 28 -3.553 8.213 2.516 61 HG22 VAL 28 HG22 VAL 28 -5.297 8.475 2.411 62 HG23 VAL 28 HG23 VAL 28 -4.201 9.399 1.374 63 H THR 29 H THR 29 -5.973 7.394 -2.735 64 HA THR 29 HA THR 29 -6.955 4.653 -2.736 65 HB THR 29 HB THR 29 -6.370 6.402 -5.182 66 HG1 THR 29 HG1 THR 29 -8.082 6.974 -3.337 67 HG21 THR 29 HG21 THR 29 -8.066 4.959 -6.257 68 HG22 THR 29 HG22 THR 29 -8.245 4.040 -4.765 69 HG23 THR 29 HG23 THR 29 -6.724 3.987 -5.656 70 H VAL 30 H VAL 30 -5.840 2.913 -3.462 71 HA VAL 30 HA VAL 30 -3.002 3.169 -4.236 72 HB VAL 30 HB VAL 30 -4.242 1.219 -2.228 73 HG11 VAL 30 HG11 VAL 30 -1.390 1.227 -3.293 74 HG12 VAL 30 HG12 VAL 30 -2.614 -0.004 -3.601 75 HG13 VAL 30 HG13 VAL 30 -1.988 0.221 -1.968 76 HG21 VAL 30 HG21 VAL 30 -3.728 3.419 -1.265 77 HG22 VAL 30 HG22 VAL 30 -2.067 3.322 -1.853 78 HG23 VAL 30 HG23 VAL 30 -2.635 2.197 -0.615 79 H LYS 31 H LYS 31 -2.387 1.812 -5.864 80 HA LYS 31 HA LYS 31 -4.500 0.215 -7.188 81 HB2 LYS 31 HB2 LYS 31 -3.446 2.535 -8.199 82 HB3 LYS 31 HB3 LYS 31 -2.262 1.401 -8.825 83 HG2 LYS 31 HG2 LYS 31 -5.257 1.281 -9.325 84 HG3 LYS 31 HG3 LYS 31 -4.064 1.935 -10.449 85 HD2 LYS 31 HD2 LYS 31 -3.061 -0.256 -10.736 86 HD3 LYS 31 HD3 LYS 31 -4.077 -0.935 -9.465 87 HE2 LYS 31 HE2 LYS 31 -6.091 -0.462 -10.877 88 HE3 LYS 31 HE3 LYS 31 -5.011 0.074 -12.170 89 HZ1 LYS 31 HZ1 LYS 31 -4.998 -2.636 -10.955 90 HZ2 LYS 31 HZ2 LYS 31 -4.044 -2.115 -12.249 91 HZ3 LYS 31 HZ3 LYS 31 -5.723 -2.235 -12.431 92 H THR 32 H THR 32 -4.011 -1.862 -7.435 93 HA THR 32 HA THR 32 -1.219 -2.853 -7.299 94 HB THR 32 HB THR 32 -2.157 -4.986 -6.549 95 HG1 THR 32 HG1 THR 32 -4.775 -3.896 -6.580 96 HG21 THR 32 HG21 THR 32 -3.249 -4.345 -4.426 97 HG22 THR 32 HG22 THR 32 -3.499 -2.710 -5.049 98 HG23 THR 32 HG23 THR 32 -1.862 -3.311 -4.770 99 HA PRO 33 HA PRO 33 -1.635 -4.229 -11.589 100 HB2 PRO 33 HB2 PRO 33 -0.468 -6.748 -11.523 101 HB3 PRO 33 HB3 PRO 33 0.444 -5.233 -11.526 102 HG2 PRO 33 HG2 PRO 33 -0.349 -6.943 -9.170 103 HG3 PRO 33 HG3 PRO 33 1.235 -6.232 -9.554 104 HD2 PRO 33 HD2 PRO 33 -0.370 -5.064 -7.763 105 HD3 PRO 33 HD3 PRO 33 0.561 -4.071 -8.916 106 H LYS 34 H LYS 34 -3.222 -5.825 -9.014 107 HA LYS 34 HA LYS 34 -4.826 -7.622 -10.692 108 HB2 LYS 34 HB2 LYS 34 -4.681 -7.214 -7.672 109 HB3 LYS 34 HB3 LYS 34 -5.879 -8.253 -8.437 110 HG2 LYS 34 HG2 LYS 34 -4.188 -9.717 -7.716 111 HG3 LYS 34 HG3 LYS 34 -3.935 -9.552 -9.451 112 HD2 LYS 34 HD2 LYS 34 -2.147 -7.781 -8.857 113 HD3 LYS 34 HD3 LYS 34 -2.310 -8.339 -7.190 114 HE2 LYS 34 HE2 LYS 34 -1.450 -10.011 -9.575 115 HE3 LYS 34 HE3 LYS 34 -0.418 -9.455 -8.257 116 HZ1 LYS 34 HZ1 LYS 34 -2.672 -11.377 -8.033 117 HZ2 LYS 34 HZ2 LYS 34 -1.759 -10.806 -6.731 118 HZ3 LYS 34 HZ3 LYS 34 -1.023 -11.740 -7.934 119 H GLU 35 H GLU 35 -5.202 -4.728 -8.668 120 HA GLU 35 HA GLU 35 -7.804 -4.019 -9.716 121 HB2 GLU 35 HB2 GLU 35 -9.024 -4.334 -7.573 122 HB3 GLU 35 HB3 GLU 35 -8.456 -5.869 -8.223 123 HG2 GLU 35 HG2 GLU 35 -6.557 -5.842 -6.628 124 HG3 GLU 35 HG3 GLU 35 -7.127 -4.308 -5.974 125 H LYS 36 H LYS 36 -8.745 -2.412 -7.714 126 HA LYS 36 HA LYS 36 -6.571 -0.742 -6.652 127 HB2 LYS 36 HB2 LYS 36 -7.338 0.178 -8.913 128 HB3 LYS 36 HB3 LYS 36 -8.919 0.453 -8.193 129 HG2 LYS 36 HG2 LYS 36 -7.869 2.002 -6.552 130 HG3 LYS 36 HG3 LYS 36 -6.310 1.742 -7.340 131 HD2 LYS 36 HD2 LYS 36 -7.256 3.830 -8.161 132 HD3 LYS 36 HD3 LYS 36 -7.265 2.646 -9.470 133 HE2 LYS 36 HE2 LYS 36 -9.675 2.204 -9.032 134 HE3 LYS 36 HE3 LYS 36 -9.649 3.412 -7.745 135 HZ1 LYS 36 HZ1 LYS 36 -10.528 4.386 -9.720 136 HZ2 LYS 36 HZ2 LYS 36 -9.195 3.881 -10.632 137 HZ3 LYS 36 HZ3 LYS 36 -8.999 5.055 -9.439 138 H GLU 37 H GLU 37 -7.136 0.317 -4.747 139 HA GLU 37 HA GLU 37 -9.862 0.149 -3.671 140 HB2 GLU 37 HB2 GLU 37 -8.794 -1.964 -2.915 141 HB3 GLU 37 HB3 GLU 37 -7.426 -1.062 -2.274 142 HG2 GLU 37 HG2 GLU 37 -8.836 -1.696 -0.443 143 HG3 GLU 37 HG3 GLU 37 -8.945 0.047 -0.636 144 H GLU 38 H GLU 38 -10.317 1.850 -2.336 145 HA GLU 38 HA GLU 38 -8.200 3.846 -1.847 146 HB2 GLU 38 HB2 GLU 38 -10.137 4.641 -3.192 147 HB3 GLU 38 HB3 GLU 38 -11.224 4.237 -1.864 148 HG2 GLU 38 HG2 GLU 38 -10.022 5.889 -0.426 149 HG3 GLU 38 HG3 GLU 38 -9.008 6.317 -1.800 150 H PHE 39 H PHE 39 -7.745 4.442 0.169 151 HA PHE 39 HA PHE 39 -9.017 3.059 2.444 152 HB2 PHE 39 HB2 PHE 39 -6.173 4.141 2.155 153 HB3 PHE 39 HB3 PHE 39 -6.815 3.343 3.593 154 HD1 PHE 39 HD1 PHE 39 -7.228 0.941 3.607 155 HD2 PHE 39 HD2 PHE 39 -5.650 2.849 0.126 156 HE1 PHE 39 HE1 PHE 39 -6.649 -1.241 2.668 157 HE2 PHE 39 HE2 PHE 39 -5.071 0.644 -0.810 158 HZ PHE 39 HZ PHE 39 -5.571 -1.400 0.467 159 H ALA 40 H ALA 40 -8.933 4.276 4.497 160 HA ALA 40 HA ALA 40 -9.173 7.214 4.197 161 HB1 ALA 40 HB1 ALA 40 -11.003 5.379 5.780 162 HB2 ALA 40 HB2 ALA 40 -11.413 6.212 4.280 163 HB3 ALA 40 HB3 ALA 40 -11.091 7.139 5.745 164 H VAL 41 H VAL 41 -7.444 7.924 5.226 165 HA VAL 41 HA VAL 41 -6.753 7.025 7.971 166 HB VAL 41 HB VAL 41 -4.337 7.261 7.468 167 HG11 VAL 41 HG11 VAL 41 -5.340 5.019 7.331 168 HG12 VAL 41 HG12 VAL 41 -4.008 5.193 6.194 169 HG13 VAL 41 HG13 VAL 41 -5.668 5.260 5.611 170 HG21 VAL 41 HG21 VAL 41 -5.151 7.633 4.552 171 HG22 VAL 41 HG22 VAL 41 -3.500 7.433 5.140 172 HG23 VAL 41 HG23 VAL 41 -4.423 8.861 5.595 173 HA PRO 42 HA PRO 42 -7.286 11.356 8.641 174 HB2 PRO 42 HB2 PRO 42 -6.235 11.708 11.094 175 HB3 PRO 42 HB3 PRO 42 -7.567 10.574 10.831 176 HG2 PRO 42 HG2 PRO 42 -4.609 9.977 11.024 177 HG3 PRO 42 HG3 PRO 42 -5.960 9.200 11.883 178 HD2 PRO 42 HD2 PRO 42 -4.854 8.156 9.602 179 HD3 PRO 42 HD3 PRO 42 -6.560 7.918 10.035 180 H GLU 43 H GLU 43 -4.938 10.846 6.965 181 HA GLU 43 HA GLU 43 -2.983 11.548 6.174 182 HB2 GLU 43 HB2 GLU 43 -2.793 13.910 5.688 183 HB3 GLU 43 HB3 GLU 43 -4.478 13.437 5.562 184 HG2 GLU 43 HG2 GLU 43 -4.890 14.449 7.805 185 HG3 GLU 43 HG3 GLU 43 -3.209 14.979 7.841 186 H ASN 44 H ASN 44 -3.057 11.105 9.239 187 HA ASN 44 HA ASN 44 -0.429 12.286 9.863 188 HB2 ASN 44 HB2 ASN 44 -2.306 12.877 11.436 189 HB3 ASN 44 HB3 ASN 44 -2.551 11.166 11.763 190 HD21 ASN 44 HD21 ASN 44 -2.108 11.344 13.957 191 HD22 ASN 44 HD22 ASN 44 -0.535 11.682 14.588 192 H SER 45 H SER 45 -2.292 9.347 9.360 193 HA SER 45 HA SER 45 -0.472 7.428 10.328 194 HB2 SER 45 HB2 SER 45 -2.378 7.212 7.964 195 HB3 SER 45 HB3 SER 45 -1.624 5.854 8.806 196 HG SER 45 HG SER 45 -2.970 6.100 10.423 197 H SER 46 H SER 46 1.629 7.500 9.786 198 HA SER 46 HA SER 46 2.792 8.216 7.314 199 HB2 SER 46 HB2 SER 46 4.842 7.101 8.248 200 HB3 SER 46 HB3 SER 46 4.097 8.199 9.410 201 HG SER 46 HG SER 46 4.216 6.488 10.655 202 H VAL 47 H VAL 47 4.139 6.572 5.971 203 HA VAL 47 HA VAL 47 2.486 4.579 4.845 204 HB VAL 47 HB VAL 47 5.511 4.908 4.673 205 HG11 VAL 47 HG11 VAL 47 4.870 2.610 4.068 206 HG12 VAL 47 HG12 VAL 47 5.408 3.499 2.648 207 HG13 VAL 47 HG13 VAL 47 3.688 3.225 2.918 208 HG21 VAL 47 HG21 VAL 47 5.061 6.022 2.518 209 HG22 VAL 47 HG22 VAL 47 4.247 6.864 3.831 210 HG23 VAL 47 HG23 VAL 47 3.320 5.818 2.755 211 H GLN 48 H GLN 48 4.859 4.482 7.426 212 HA GLN 48 HA GLN 48 5.168 1.754 7.902 213 HB2 GLN 48 HB2 GLN 48 6.525 3.492 8.966 214 HB3 GLN 48 HB3 GLN 48 5.135 4.106 9.842 215 HG2 GLN 48 HG2 GLN 48 6.103 1.277 10.303 216 HG3 GLN 48 HG3 GLN 48 6.931 2.629 11.066 217 HE21 GLN 48 HE21 GLN 48 5.445 0.432 12.312 218 HE22 GLN 48 HE22 GLN 48 4.206 1.165 13.267 219 H GLN 49 H GLN 49 2.525 3.917 8.866 220 HA GLN 49 HA GLN 49 1.098 1.730 10.238 221 HB2 GLN 49 HB2 GLN 49 1.277 3.907 11.394 222 HB3 GLN 49 HB3 GLN 49 0.499 4.713 10.036 223 HG2 GLN 49 HG2 GLN 49 -1.592 3.523 10.494 224 HG3 GLN 49 HG3 GLN 49 -0.821 2.628 11.802 225 HE21 GLN 49 HE21 GLN 49 -3.147 4.425 11.838 226 HE22 GLN 49 HE22 GLN 49 -2.790 5.640 13.009 227 H PHE 50 H PHE 50 1.270 3.113 7.159 228 HA PHE 50 HA PHE 50 -1.565 2.971 6.519 229 HB2 PHE 50 HB2 PHE 50 -0.224 4.849 5.644 230 HB3 PHE 50 HB3 PHE 50 0.784 3.720 4.746 231 HD1 PHE 50 HD1 PHE 50 -2.918 4.241 5.177 232 HD2 PHE 50 HD2 PHE 50 0.321 3.766 2.443 233 HE1 PHE 50 HE1 PHE 50 -4.483 4.371 3.296 234 HE2 PHE 50 HE2 PHE 50 -1.251 3.889 0.565 235 HZ PHE 50 HZ PHE 50 -3.657 4.187 0.985 236 H LYS 51 H LYS 51 1.410 1.166 5.624 237 HA LYS 51 HA LYS 51 0.014 -0.577 3.830 238 HB2 LYS 51 HB2 LYS 51 1.982 -1.743 3.461 239 HB3 LYS 51 HB3 LYS 51 2.561 -0.144 3.868 240 HG2 LYS 51 HG2 LYS 51 2.567 -2.535 5.736 241 HG3 LYS 51 HG3 LYS 51 3.945 -1.970 4.798 242 HD2 LYS 51 HD2 LYS 51 3.595 0.280 6.076 243 HD3 LYS 51 HD3 LYS 51 2.615 -0.669 7.189 244 HE2 LYS 51 HE2 LYS 51 5.545 -1.147 6.519 245 HE3 LYS 51 HE3 LYS 51 4.921 -0.453 8.008 246 HZ1 LYS 51 HZ1 LYS 51 4.456 -3.222 7.054 247 HZ2 LYS 51 HZ2 LYS 51 3.848 -2.562 8.486 248 HZ3 LYS 51 HZ3 LYS 51 5.514 -2.756 8.287 249 H GLU 52 H GLU 52 0.251 -0.411 7.211 250 HA GLU 52 HA GLU 52 -0.626 -3.000 7.982 251 HB2 GLU 52 HB2 GLU 52 -1.118 -0.309 9.327 252 HB3 GLU 52 HB3 GLU 52 -1.263 -1.881 10.098 253 HG2 GLU 52 HG2 GLU 52 1.323 -0.788 8.973 254 HG3 GLU 52 HG3 GLU 52 0.825 -0.588 10.649 255 H GLU 53 H GLU 53 -2.343 0.008 7.121 256 HA GLU 53 HA GLU 53 -5.017 -0.921 7.457 257 HB2 GLU 53 HB2 GLU 53 -4.072 1.266 5.548 258 HB3 GLU 53 HB3 GLU 53 -5.687 1.084 6.228 259 HG2 GLU 53 HG2 GLU 53 -3.172 1.789 7.772 260 HG3 GLU 53 HG3 GLU 53 -4.428 2.921 7.281 261 H ILE 54 H ILE 54 -2.704 -1.005 4.825 262 HA ILE 54 HA ILE 54 -4.441 -1.909 2.765 263 HB ILE 54 HB ILE 54 -1.416 -2.082 3.058 264 HG12 ILE 54 HG12 ILE 54 -3.166 -0.124 1.474 265 HG13 ILE 54 HG13 ILE 54 -2.315 0.240 2.974 266 HG21 ILE 54 HG21 ILE 54 -1.314 -2.524 0.633 267 HG22 ILE 54 HG22 ILE 54 -3.077 -2.588 0.563 268 HG23 ILE 54 HG23 ILE 54 -2.185 -3.803 1.477 269 HD11 ILE 54 HD11 ILE 54 -1.018 -0.472 0.345 270 HD12 ILE 54 HD12 ILE 54 -0.177 -0.084 1.850 271 HD13 ILE 54 HD13 ILE 54 -1.159 1.138 1.048 272 H SER 55 H SER 55 -2.323 -3.611 5.077 273 HA SER 55 HA SER 55 -2.419 -6.158 3.892 274 HB2 SER 55 HB2 SER 55 -1.642 -6.987 6.165 275 HB3 SER 55 HB3 SER 55 -0.670 -5.698 5.463 276 HG SER 55 HG SER 55 -2.711 -5.314 7.398 277 H LYS 56 H LYS 56 -4.442 -4.726 6.465 278 HA LYS 56 HA LYS 56 -5.988 -7.062 7.009 279 HB2 LYS 56 HB2 LYS 56 -7.492 -5.595 8.252 280 HB3 LYS 56 HB3 LYS 56 -5.823 -5.162 8.604 281 HG2 LYS 56 HG2 LYS 56 -5.992 -3.241 7.063 282 HG3 LYS 56 HG3 LYS 56 -7.656 -3.689 6.693 283 HD2 LYS 56 HD2 LYS 56 -7.878 -1.947 8.259 284 HD3 LYS 56 HD3 LYS 56 -8.124 -3.404 9.217 285 HE2 LYS 56 HE2 LYS 56 -5.533 -1.823 9.060 286 HE3 LYS 56 HE3 LYS 56 -6.710 -1.713 10.365 287 HZ1 LYS 56 HZ1 LYS 56 -4.882 -3.127 10.982 288 HZ2 LYS 56 HZ2 LYS 56 -5.130 -4.118 9.635 289 HZ3 LYS 56 HZ3 LYS 56 -6.292 -4.053 10.861 290 H ARG 57 H ARG 57 -6.202 -4.588 4.577 291 HA ARG 57 HA ARG 57 -8.952 -4.951 3.836 292 HB2 ARG 57 HB2 ARG 57 -7.655 -2.832 3.496 293 HB3 ARG 57 HB3 ARG 57 -6.650 -3.656 2.316 294 HG2 ARG 57 HG2 ARG 57 -8.279 -2.314 1.167 295 HG3 ARG 57 HG3 ARG 57 -8.647 -4.017 0.888 296 HD2 ARG 57 HD2 ARG 57 -10.697 -2.760 1.291 297 HD3 ARG 57 HD3 ARG 57 -10.425 -3.905 2.605 298 HE ARG 57 HE ARG 57 -9.596 -2.009 3.940 299 HH11 ARG 57 HH11 ARG 57 -11.598 -1.223 1.178 300 HH12 ARG 57 HH12 ARG 57 -12.183 0.247 1.877 301 HH21 ARG 57 HH21 ARG 57 -10.352 -0.092 4.836 302 HH22 ARG 57 HH22 ARG 57 -11.471 0.897 3.954 303 H PHE 58 H PHE 58 -5.853 -5.729 2.240 304 HA PHE 58 HA PHE 58 -7.087 -7.441 0.245 305 HB2 PHE 58 HB2 PHE 58 -4.189 -6.692 0.783 306 HB3 PHE 58 HB3 PHE 58 -4.684 -7.767 -0.521 307 HD1 PHE 58 HD1 PHE 58 -5.950 -6.888 -2.469 308 HD2 PHE 58 HD2 PHE 58 -4.579 -4.268 0.623 309 HE1 PHE 58 HE1 PHE 58 -6.328 -4.950 -3.931 310 HE2 PHE 58 HE2 PHE 58 -4.964 -2.341 -0.850 311 HZ PHE 58 HZ PHE 58 -5.834 -2.671 -3.132 312 H LYS 59 H LYS 59 -6.419 -7.975 3.425 313 HA LYS 59 HA LYS 59 -6.251 -9.808 4.754 314 HB2 LYS 59 HB2 LYS 59 -7.158 -11.309 2.260 315 HB3 LYS 59 HB3 LYS 59 -7.288 -11.900 3.907 316 HG2 LYS 59 HG2 LYS 59 -8.706 -9.331 3.244 317 HG3 LYS 59 HG3 LYS 59 -9.361 -10.815 2.563 318 HD2 LYS 59 HD2 LYS 59 -10.525 -10.330 4.621 319 HD3 LYS 59 HD3 LYS 59 -9.537 -11.768 4.860 320 HE2 LYS 59 HE2 LYS 59 -7.863 -10.443 6.051 321 HE3 LYS 59 HE3 LYS 59 -8.793 -8.971 5.767 322 HZ1 LYS 59 HZ1 LYS 59 -9.657 -11.311 7.367 323 HZ2 LYS 59 HZ2 LYS 59 -10.586 -9.927 7.084 324 HZ3 LYS 59 HZ3 LYS 59 -9.154 -9.815 7.973 325 H SER 60 H SER 60 -3.945 -8.917 3.448 326 HA SER 60 HA SER 60 -2.298 -11.329 2.988 327 HB2 SER 60 HB2 SER 60 -2.627 -10.060 0.884 328 HB3 SER 60 HB3 SER 60 -2.086 -8.570 1.660 329 HG SER 60 HG SER 60 -0.200 -9.168 0.964 330 H HIS 61 H HIS 61 0.086 -10.739 3.332 331 HA HIS 61 HA HIS 61 0.373 -9.472 5.978 332 HB2 HIS 61 HB2 HIS 61 2.323 -11.177 4.350 333 HB3 HIS 61 HB3 HIS 61 2.647 -10.532 5.957 334 HD1 HIS 61 HD1 HIS 61 1.887 -11.918 7.900 335 HD2 HIS 61 HD2 HIS 61 0.203 -13.168 4.319 336 HE1 HIS 61 HE1 HIS 61 0.663 -14.036 8.441 337 HE2 HIS 61 HE2 HIS 61 -0.381 -14.761 6.260 338 H THR 62 H THR 62 1.737 -7.718 6.326 339 HA THR 62 HA THR 62 2.142 -5.815 4.271 340 HB THR 62 HB THR 62 3.548 -4.603 5.986 341 HG1 THR 62 HG1 THR 62 2.907 -6.286 8.042 342 HG21 THR 62 HG21 THR 62 1.088 -4.311 5.961 343 HG22 THR 62 HG22 THR 62 1.750 -4.200 7.587 344 HG23 THR 62 HG23 THR 62 0.919 -5.667 7.079 345 H ASP 63 H ASP 63 4.185 -8.317 5.610 346 HA ASP 63 HA ASP 63 6.686 -7.730 4.558 347 HB2 ASP 63 HB2 ASP 63 6.201 -9.610 6.131 348 HB3 ASP 63 HB3 ASP 63 5.339 -10.460 4.854 349 H GLN 64 H GLN 64 3.830 -9.116 3.010 350 HA GLN 64 HA GLN 64 5.189 -9.913 0.575 351 HB2 GLN 64 HB2 GLN 64 2.212 -9.892 1.228 352 HB3 GLN 64 HB3 GLN 64 2.951 -10.659 -0.178 353 HG2 GLN 64 HG2 GLN 64 4.208 -12.170 1.353 354 HG3 GLN 64 HG3 GLN 64 3.374 -11.435 2.721 355 HE21 GLN 64 HE21 GLN 64 3.034 -13.527 -0.059 356 HE22 GLN 64 HE22 GLN 64 1.504 -14.195 0.389 357 H LEU 65 H LEU 65 3.447 -7.074 1.678 358 HA LEU 65 HA LEU 65 3.190 -6.118 -1.124 359 HB2 LEU 65 HB2 LEU 65 1.223 -4.773 -0.340 360 HB3 LEU 65 HB3 LEU 65 1.005 -6.504 -0.327 361 HG LEU 65 HG LEU 65 1.603 -6.256 2.263 362 HD11 LEU 65 HD11 LEU 65 0.743 -4.197 3.278 363 HD12 LEU 65 HD12 LEU 65 0.536 -3.481 1.677 364 HD13 LEU 65 HD13 LEU 65 2.152 -3.883 2.264 365 HD21 LEU 65 HD21 LEU 65 -0.784 -6.108 2.783 366 HD22 LEU 65 HD22 LEU 65 -0.502 -7.150 1.394 367 HD23 LEU 65 HD23 LEU 65 -1.124 -5.516 1.153 368 H VAL 66 H VAL 66 4.107 -4.256 -1.711 369 HA VAL 66 HA VAL 66 5.271 -2.428 0.305 370 HB VAL 66 HB VAL 66 7.345 -2.185 -1.085 371 HG11 VAL 66 HG11 VAL 66 8.440 -4.320 -0.446 372 HG12 VAL 66 HG12 VAL 66 6.858 -5.033 -0.127 373 HG13 VAL 66 HG13 VAL 66 7.431 -3.683 0.854 374 HG21 VAL 66 HG21 VAL 66 6.493 -2.904 -3.281 375 HG22 VAL 66 HG22 VAL 66 6.275 -4.550 -2.688 376 HG23 VAL 66 HG23 VAL 66 7.897 -3.870 -2.832 377 H LEU 67 H LEU 67 5.108 -0.295 -0.184 378 HA LEU 67 HA LEU 67 3.473 0.497 -2.469 379 HB2 LEU 67 HB2 LEU 67 4.396 1.928 0.038 380 HB3 LEU 67 HB3 LEU 67 3.574 2.775 -1.267 381 HG LEU 67 HG LEU 67 2.357 0.437 0.254 382 HD11 LEU 67 HD11 LEU 67 1.892 3.408 0.633 383 HD12 LEU 67 HD12 LEU 67 2.666 2.309 1.776 384 HD13 LEU 67 HD13 LEU 67 0.961 2.113 1.395 385 HD21 LEU 67 HD21 LEU 67 0.246 1.146 -0.801 386 HD22 LEU 67 HD22 LEU 67 1.439 0.715 -2.022 387 HD23 LEU 67 HD23 LEU 67 1.096 2.414 -1.684 388 H ILE 68 H ILE 68 4.149 1.767 -4.096 389 HA ILE 68 HA ILE 68 6.818 3.012 -4.048 390 HB ILE 68 HB ILE 68 5.618 1.677 -6.533 391 HG12 ILE 68 HG12 ILE 68 7.871 0.280 -6.318 392 HG13 ILE 68 HG13 ILE 68 7.774 0.711 -4.624 393 HG21 ILE 68 HG21 ILE 68 8.297 3.092 -6.203 394 HG22 ILE 68 HG22 ILE 68 6.906 3.676 -7.113 395 HG23 ILE 68 HG23 ILE 68 7.762 2.237 -7.655 396 HD11 ILE 68 HD11 ILE 68 5.724 -0.844 -6.198 397 HD12 ILE 68 HD12 ILE 68 5.569 -0.396 -4.500 398 HD13 ILE 68 HD13 ILE 68 6.852 -1.495 -5.009 399 H PHE 69 H PHE 69 6.798 5.062 -4.689 400 HA PHE 69 HA PHE 69 4.890 6.179 -6.540 401 HB2 PHE 69 HB2 PHE 69 3.686 6.397 -4.320 402 HB3 PHE 69 HB3 PHE 69 5.018 7.377 -3.726 403 HD1 PHE 69 HD1 PHE 69 5.322 9.714 -4.548 404 HD2 PHE 69 HD2 PHE 69 2.064 7.309 -5.943 405 HE1 PHE 69 HE1 PHE 69 4.211 11.720 -5.432 406 HE2 PHE 69 HE2 PHE 69 0.964 9.329 -6.824 407 HZ PHE 69 HZ PHE 69 2.034 11.538 -6.570 408 H ALA 70 H ALA 70 5.728 7.992 -7.545 409 HA ALA 70 HA ALA 70 7.270 9.435 -8.369 410 HB1 ALA 70 HB1 ALA 70 8.512 9.402 -5.592 411 HB2 ALA 70 HB2 ALA 70 7.236 10.489 -6.128 412 HB3 ALA 70 HB3 ALA 70 8.836 10.593 -6.859 413 H GLY 71 H GLY 71 7.691 6.435 -8.219 414 HA2 GLY 71 HA2 GLY 71 9.180 4.978 -9.190 415 HA3 GLY 71 HA3 GLY 71 10.318 6.300 -9.415 416 H LYS 72 H LYS 72 9.355 6.229 -6.179 417 HA LYS 72 HA LYS 72 11.640 4.517 -5.404 418 HB2 LYS 72 HB2 LYS 72 12.078 5.977 -3.483 419 HB3 LYS 72 HB3 LYS 72 12.249 6.839 -4.997 420 HG2 LYS 72 HG2 LYS 72 11.182 8.432 -3.689 421 HG3 LYS 72 HG3 LYS 72 9.805 7.682 -4.491 422 HD2 LYS 72 HD2 LYS 72 9.375 8.046 -2.069 423 HD3 LYS 72 HD3 LYS 72 9.322 6.336 -2.494 424 HE2 LYS 72 HE2 LYS 72 10.487 6.592 -0.391 425 HE3 LYS 72 HE3 LYS 72 11.641 6.077 -1.618 426 HZ1 LYS 72 HZ1 LYS 72 12.177 8.524 -1.838 427 HZ2 LYS 72 HZ2 LYS 72 12.688 7.750 -0.428 428 HZ3 LYS 72 HZ3 LYS 72 11.317 8.739 -0.394 429 H ILE 73 H ILE 73 11.392 3.191 -3.649 430 HA ILE 73 HA ILE 73 8.719 2.347 -3.000 431 HB ILE 73 HB ILE 73 9.673 0.550 -1.696 432 HG12 ILE 73 HG12 ILE 73 11.512 1.778 -0.501 433 HG13 ILE 73 HG13 ILE 73 12.037 0.243 -1.165 434 HG21 ILE 73 HG21 ILE 73 11.110 -0.542 -3.399 435 HG22 ILE 73 HG22 ILE 73 11.294 1.011 -4.214 436 HG23 ILE 73 HG23 ILE 73 9.704 0.255 -4.106 437 HD11 ILE 73 HD11 ILE 73 13.172 1.428 -2.980 438 HD12 ILE 73 HD12 ILE 73 13.737 1.952 -1.395 439 HD13 ILE 73 HD13 ILE 73 12.624 2.967 -2.313 440 H LEU 74 H LEU 74 7.487 3.037 -1.370 441 HA LEU 74 HA LEU 74 8.305 5.174 0.346 442 HB2 LEU 74 HB2 LEU 74 5.706 3.590 0.432 443 HB3 LEU 74 HB3 LEU 74 6.008 5.157 1.163 444 HG LEU 74 HG LEU 74 5.745 4.522 -1.792 445 HD11 LEU 74 HD11 LEU 74 4.069 6.272 0.042 446 HD12 LEU 74 HD12 LEU 74 3.614 4.699 -0.621 447 HD13 LEU 74 HD13 LEU 74 3.822 6.079 -1.699 448 HD21 LEU 74 HD21 LEU 74 6.519 7.194 -0.553 449 HD22 LEU 74 HD22 LEU 74 6.101 6.936 -2.249 450 HD23 LEU 74 HD23 LEU 74 7.540 6.177 -1.575 451 H LYS 75 H LYS 75 9.631 4.699 1.998 452 HA LYS 75 HA LYS 75 9.557 2.180 3.456 453 HB2 LYS 75 HB2 LYS 75 11.302 4.646 3.895 454 HB3 LYS 75 HB3 LYS 75 11.574 3.052 4.589 455 HG2 LYS 75 HG2 LYS 75 11.704 3.738 1.634 456 HG3 LYS 75 HG3 LYS 75 13.101 3.552 2.695 457 HD2 LYS 75 HD2 LYS 75 11.091 1.360 2.037 458 HD3 LYS 75 HD3 LYS 75 12.668 1.550 1.271 459 HE2 LYS 75 HE2 LYS 75 13.772 1.181 3.450 460 HE3 LYS 75 HE3 LYS 75 12.195 1.000 4.222 461 HZ1 LYS 75 HZ1 LYS 75 11.772 -0.924 2.852 462 HZ2 LYS 75 HZ2 LYS 75 13.207 -1.133 3.717 463 HZ3 LYS 75 HZ3 LYS 75 13.261 -0.747 2.075 464 H ASP 76 H ASP 76 10.075 2.622 5.962 465 HA ASP 76 HA ASP 76 7.721 3.646 7.229 466 HB2 ASP 76 HB2 ASP 76 8.800 3.023 9.335 467 HB3 ASP 76 HB3 ASP 76 9.069 1.750 8.156 468 H GLN 77 H GLN 77 10.867 4.940 6.468 469 HA GLN 77 HA GLN 77 10.710 7.335 8.071 470 HB2 GLN 77 HB2 GLN 77 12.693 8.068 6.832 471 HB3 GLN 77 HB3 GLN 77 12.895 6.398 7.351 472 HG2 GLN 77 HG2 GLN 77 12.518 5.560 5.134 473 HG3 GLN 77 HG3 GLN 77 11.989 7.136 4.550 474 HE21 GLN 77 HE21 GLN 77 14.766 5.201 5.461 475 HE22 GLN 77 HE22 GLN 77 15.957 6.251 4.780 476 H ASP 78 H ASP 78 9.087 6.342 5.301 477 HA ASP 78 HA ASP 78 8.762 9.043 4.168 478 HB2 ASP 78 HB2 ASP 78 8.162 6.267 3.051 479 HB3 ASP 78 HB3 ASP 78 7.606 7.742 2.264 480 H THR 79 H THR 79 6.824 10.056 4.121 481 HA THR 79 HA THR 79 4.381 8.664 5.093 482 HB THR 79 HB THR 79 3.522 11.005 5.656 483 HG1 THR 79 HG1 THR 79 6.274 11.735 5.424 484 HG21 THR 79 HG21 THR 79 5.990 10.153 7.208 485 HG22 THR 79 HG22 THR 79 4.354 9.555 7.469 486 HG23 THR 79 HG23 THR 79 4.733 11.245 7.783 487 H LEU 80 H LEU 80 2.555 8.907 3.826 488 HA LEU 80 HA LEU 80 2.954 9.193 1.059 489 HB2 LEU 80 HB2 LEU 80 0.416 9.001 0.920 490 HB3 LEU 80 HB3 LEU 80 1.278 7.701 1.705 491 HG LEU 80 HG LEU 80 0.607 9.013 3.946 492 HD11 LEU 80 HD11 LEU 80 -1.614 9.905 2.087 493 HD12 LEU 80 HD12 LEU 80 -0.442 10.947 2.899 494 HD13 LEU 80 HD13 LEU 80 -1.617 10.041 3.849 495 HD21 LEU 80 HD21 LEU 80 -1.346 7.571 4.188 496 HD22 LEU 80 HD22 LEU 80 -0.030 6.696 3.407 497 HD23 LEU 80 HD23 LEU 80 -1.386 7.288 2.447 498 H SER 81 H SER 81 1.521 11.412 3.412 499 HA SER 81 HA SER 81 0.528 13.347 1.629 500 HB2 SER 81 HB2 SER 81 -0.210 13.108 3.994 501 HB3 SER 81 HB3 SER 81 1.366 13.681 4.540 502 HG SER 81 HG SER 81 -0.763 15.079 3.426 503 H GLN 82 H GLN 82 3.750 12.925 3.030 504 HA GLN 82 HA GLN 82 4.841 15.457 2.330 505 HB2 GLN 82 HB2 GLN 82 5.900 13.995 3.994 506 HB3 GLN 82 HB3 GLN 82 6.254 12.797 2.759 507 HG2 GLN 82 HG2 GLN 82 8.245 14.122 3.397 508 HG3 GLN 82 HG3 GLN 82 7.852 14.288 1.690 509 HE21 GLN 82 HE21 GLN 82 8.919 16.248 1.444 510 HE22 GLN 82 HE22 GLN 82 8.381 17.720 2.164 511 H HIS 83 H HIS 83 4.353 12.505 0.481 512 HA HIS 83 HA HIS 83 5.950 13.380 -1.813 513 HB2 HIS 83 HB2 HIS 83 4.094 10.980 -1.487 514 HB3 HIS 83 HB3 HIS 83 5.109 11.282 -2.897 515 HD1 HIS 83 HD1 HIS 83 5.230 10.101 0.606 516 HD2 HIS 83 HD2 HIS 83 7.872 10.825 -2.494 517 HE1 HIS 83 HE1 HIS 83 7.394 9.122 1.344 518 HE2 HIS 83 HE2 HIS 83 9.031 9.796 -0.429 519 H GLY 84 H GLY 84 3.126 14.478 -0.660 520 HA2 GLY 84 HA2 GLY 84 1.508 15.822 -1.596 521 HA3 GLY 84 HA3 GLY 84 2.178 15.501 -3.192 522 H ILE 85 H ILE 85 1.455 12.766 -1.222 523 HA ILE 85 HA ILE 85 -0.746 11.959 -2.969 524 HB ILE 85 HB ILE 85 0.398 10.426 -0.583 525 HG12 ILE 85 HG12 ILE 85 1.163 10.011 -3.514 526 HG13 ILE 85 HG13 ILE 85 2.147 10.925 -2.373 527 HG21 ILE 85 HG21 ILE 85 -1.845 9.688 -1.293 528 HG22 ILE 85 HG22 ILE 85 -0.640 8.455 -1.652 529 HG23 ILE 85 HG23 ILE 85 -1.271 9.472 -2.949 530 HD11 ILE 85 HD11 ILE 85 2.961 8.658 -2.663 531 HD12 ILE 85 HD12 ILE 85 1.421 8.009 -2.107 532 HD13 ILE 85 HD13 ILE 85 2.441 8.940 -1.003 533 H HIS 86 H HIS 86 -2.739 12.507 -2.453 534 HA HIS 86 HA HIS 86 -3.776 12.309 0.240 535 HB2 HIS 86 HB2 HIS 86 -4.726 14.631 0.245 536 HB3 HIS 86 HB3 HIS 86 -2.972 14.616 0.306 537 HD1 HIS 86 HD1 HIS 86 -5.840 15.615 -1.874 538 HD2 HIS 86 HD2 HIS 86 -1.686 15.774 -1.887 539 HE1 HIS 86 HE1 HIS 86 -5.231 17.187 -3.728 540 HE2 HIS 86 HE2 HIS 86 -2.719 17.180 -3.789 541 H ASP 87 H ASP 87 -6.263 13.514 -0.224 542 HA ASP 87 HA ASP 87 -7.665 11.603 -1.720 543 HB2 ASP 87 HB2 ASP 87 -9.645 13.051 -1.380 544 HB3 ASP 87 HB3 ASP 87 -8.725 12.833 0.105 545 H GLY 88 H GLY 88 -8.086 11.429 -3.829 546 HA2 GLY 88 HA2 GLY 88 -8.479 12.155 -6.048 547 HA3 GLY 88 HA3 GLY 88 -7.633 13.656 -5.716 548 H LEU 89 H LEU 89 -5.591 11.570 -4.364 549 HA LEU 89 HA LEU 89 -4.017 11.067 -6.825 550 HB2 LEU 89 HB2 LEU 89 -3.186 11.393 -3.914 551 HB3 LEU 89 HB3 LEU 89 -2.098 10.706 -5.104 552 HG LEU 89 HG LEU 89 -1.554 13.056 -4.693 553 HD11 LEU 89 HD11 LEU 89 -1.103 12.175 -6.922 554 HD12 LEU 89 HD12 LEU 89 -1.510 13.886 -6.984 555 HD13 LEU 89 HD13 LEU 89 -2.706 12.682 -7.471 556 HD21 LEU 89 HD21 LEU 89 -3.049 14.892 -5.260 557 HD22 LEU 89 HD22 LEU 89 -3.766 13.868 -4.018 558 HD23 LEU 89 HD23 LEU 89 -4.327 13.752 -5.688 559 H THR 90 H THR 90 -2.620 9.097 -6.710 560 HA THR 90 HA THR 90 -3.759 6.794 -5.314 561 HB THR 90 HB THR 90 -3.393 6.839 -8.352 562 HG1 THR 90 HG1 THR 90 -5.544 7.423 -6.731 563 HG21 THR 90 HG21 THR 90 -4.463 4.603 -8.308 564 HG22 THR 90 HG22 THR 90 -4.484 4.642 -6.543 565 HG23 THR 90 HG23 THR 90 -2.944 4.597 -7.407 566 H VAL 91 H VAL 91 -2.224 5.465 -4.605 567 HA VAL 91 HA VAL 91 0.601 5.794 -5.338 568 HB VAL 91 HB VAL 91 -0.430 3.928 -3.150 569 HG11 VAL 91 HG11 VAL 91 2.159 5.502 -3.390 570 HG12 VAL 91 HG12 VAL 91 1.957 3.785 -3.739 571 HG13 VAL 91 HG13 VAL 91 1.747 4.377 -2.088 572 HG21 VAL 91 HG21 VAL 91 -1.527 6.078 -2.706 573 HG22 VAL 91 HG22 VAL 91 0.027 6.909 -2.777 574 HG23 VAL 91 HG23 VAL 91 -0.291 5.744 -1.493 575 H HIS 92 H HIS 92 1.877 3.790 -5.723 576 HA HIS 92 HA HIS 92 0.337 1.600 -6.983 577 HB2 HIS 92 HB2 HIS 92 3.283 2.352 -7.185 578 HB3 HIS 92 HB3 HIS 92 2.576 0.916 -7.929 579 HD1 HIS 92 HD1 HIS 92 1.452 1.215 -10.153 580 HD2 HIS 92 HD2 HIS 92 2.303 4.834 -8.304 581 HE1 HIS 92 HE1 HIS 92 0.915 2.978 -11.849 582 HE2 HIS 92 HE2 HIS 92 1.245 5.154 -10.634 583 H LEU 93 H LEU 93 0.667 -0.529 -6.366 584 HA LEU 93 HA LEU 93 2.281 -1.140 -3.973 585 HB2 LEU 93 HB2 LEU 93 -0.047 -0.648 -3.237 586 HB3 LEU 93 HB3 LEU 93 -0.654 -1.859 -4.347 587 HG LEU 93 HG LEU 93 0.694 -3.588 -2.995 588 HD11 LEU 93 HD11 LEU 93 1.299 -3.029 -0.699 589 HD12 LEU 93 HD12 LEU 93 0.860 -1.343 -0.968 590 HD13 LEU 93 HD13 LEU 93 2.211 -2.058 -1.847 591 HD21 LEU 93 HD21 LEU 93 -1.004 -3.783 -1.233 592 HD22 LEU 93 HD22 LEU 93 -1.717 -3.453 -2.803 593 HD23 LEU 93 HD23 LEU 93 -1.592 -2.160 -1.609 594 H VAL 94 H VAL 94 3.306 -3.033 -4.172 595 HA VAL 94 HA VAL 94 2.443 -5.020 -6.208 596 HB VAL 94 HB VAL 94 5.245 -4.611 -5.032 597 HG11 VAL 94 HG11 VAL 94 6.001 -6.269 -6.715 598 HG12 VAL 94 HG12 VAL 94 4.326 -6.523 -7.220 599 HG13 VAL 94 HG13 VAL 94 4.837 -6.971 -5.591 600 HG21 VAL 94 HG21 VAL 94 4.227 -3.934 -7.819 601 HG22 VAL 94 HG22 VAL 94 5.908 -3.824 -7.289 602 HG23 VAL 94 HG23 VAL 94 4.689 -2.780 -6.564 603 H ILE 95 H ILE 95 1.464 -6.718 -5.236 604 HA ILE 95 HA ILE 95 2.209 -7.502 -2.479 605 HB ILE 95 HB ILE 95 -0.231 -8.467 -4.051 606 HG12 ILE 95 HG12 ILE 95 -0.092 -6.148 -2.057 607 HG13 ILE 95 HG13 ILE 95 -0.405 -6.000 -3.781 608 HG21 ILE 95 HG21 ILE 95 -1.097 -9.137 -1.830 609 HG22 ILE 95 HG22 ILE 95 0.376 -8.541 -1.063 610 HG23 ILE 95 HG23 ILE 95 0.450 -9.917 -2.164 611 HD11 ILE 95 HD11 ILE 95 -2.519 -7.247 -3.466 612 HD12 ILE 95 HD12 ILE 95 -2.444 -5.754 -2.534 613 HD13 ILE 95 HD13 ILE 95 -2.194 -7.303 -1.730 614 H LYS 96 H LYS 96 2.953 -9.580 -2.079 615 HA LYS 96 HA LYS 96 3.671 -11.266 -4.409 616 HB2 LYS 96 HB2 LYS 96 4.925 -10.996 -1.644 617 HB3 LYS 96 HB3 LYS 96 5.387 -12.248 -2.796 618 HG2 LYS 96 HG2 LYS 96 6.151 -10.573 -4.391 619 HG3 LYS 96 HG3 LYS 96 5.582 -9.271 -3.349 620 HD2 LYS 96 HD2 LYS 96 8.026 -9.537 -3.175 621 HD3 LYS 96 HD3 LYS 96 7.236 -9.882 -1.634 622 HE2 LYS 96 HE2 LYS 96 9.031 -11.501 -2.106 623 HE3 LYS 96 HE3 LYS 96 7.462 -12.301 -2.043 624 HZ1 LYS 96 HZ1 LYS 96 7.409 -12.304 -4.451 625 HZ2 LYS 96 HZ2 LYS 96 8.795 -13.085 -3.890 626 HZ3 LYS 96 HZ3 LYS 96 8.905 -11.522 -4.519 627 H THR 97 H THR 97 1.005 -11.368 -3.201 628 HA THR 97 HA THR 97 0.881 -14.085 -2.094 629 HB THR 97 HB THR 97 -1.651 -13.718 -2.257 630 HG1 THR 97 HG1 THR 97 -1.453 -11.999 -3.893 631 HG21 THR 97 HG21 THR 97 -0.112 -11.670 -0.630 632 HG22 THR 97 HG22 THR 97 -0.463 -13.328 -0.140 633 HG23 THR 97 HG23 THR 97 -1.780 -12.173 -0.347 634 H GLN 98 H GLN 98 0.159 -15.877 -3.243 635 HA GLN 98 HA GLN 98 0.290 -15.893 -6.094 636 HB2 GLN 98 HB2 GLN 98 -0.476 -18.280 -5.878 637 HB3 GLN 98 HB3 GLN 98 0.942 -17.889 -4.922 638 HG2 GLN 98 HG2 GLN 98 -0.627 -17.644 -2.929 639 HG3 GLN 98 HG3 GLN 98 -1.887 -18.345 -3.939 640 HE21 GLN 98 HE21 GLN 98 -2.108 -20.168 -2.610 641 HE22 GLN 98 HE22 GLN 98 -0.905 -21.407 -2.515 642 H ASN 99 H ASN 99 -2.441 -16.282 -3.838 643 HA ASN 99 HA ASN 99 -4.271 -14.864 -5.615 644 HB2 ASN 99 HB2 ASN 99 -4.969 -17.650 -4.524 645 HB3 ASN 99 HB3 ASN 99 -6.062 -16.586 -5.400 646 HD21 ASN 99 HD21 ASN 99 -3.317 -18.725 -5.673 647 HD22 ASN 99 HD22 ASN 99 -3.392 -18.921 -7.387 648 H ARG 100 H ARG 100 -4.472 -13.210 -4.066 649 HA ARG 100 HA ARG 100 -4.603 -13.781 -1.259 650 HB2 ARG 100 HB2 ARG 100 -4.747 -11.437 -0.860 651 HB3 ARG 100 HB3 ARG 100 -3.685 -11.617 -2.239 652 HG2 ARG 100 HG2 ARG 100 -4.941 -9.762 -2.867 653 HG3 ARG 100 HG3 ARG 100 -5.856 -11.052 -3.647 654 HD2 ARG 100 HD2 ARG 100 -7.493 -11.033 -1.848 655 HD3 ARG 100 HD3 ARG 100 -6.536 -9.879 -0.933 656 HE ARG 100 HE ARG 100 -7.202 -8.702 -3.388 657 HH11 ARG 100 HH11 ARG 100 -8.847 -9.840 -0.494 658 HH12 ARG 100 HH12 ARG 100 -10.100 -8.644 -0.577 659 HH21 ARG 100 HH21 ARG 100 -8.877 -7.121 -3.483 660 HH22 ARG 100 HH22 ARG 100 -10.119 -7.112 -2.275 661 HA PRO 101 HA PRO 101 -9.017 -14.675 -1.014 662 HB2 PRO 101 HB2 PRO 101 -9.421 -14.160 1.699 663 HB3 PRO 101 HB3 PRO 101 -8.782 -15.672 1.046 664 HG2 PRO 101 HG2 PRO 101 -7.311 -13.382 2.297 665 HG3 PRO 101 HG3 PRO 101 -6.984 -15.120 2.401 666 HD2 PRO 101 HD2 PRO 101 -5.554 -13.410 0.796 667 HD3 PRO 101 HD3 PRO 101 -5.765 -15.131 0.428 Start of MODEL 12 1 HA PRO 23 HA PRO 23 -13.597 19.301 7.052 2 HB2 PRO 23 HB2 PRO 23 -12.964 18.029 9.467 3 HB3 PRO 23 HB3 PRO 23 -12.971 19.785 9.221 4 HG2 PRO 23 HG2 PRO 23 -15.124 18.021 10.353 5 HG3 PRO 23 HG3 PRO 23 -14.604 19.636 10.885 6 HD2 PRO 23 HD2 PRO 23 -16.851 19.313 9.422 7 HD3 PRO 23 HD3 PRO 23 -15.805 20.724 9.176 8 H LYS 24 H LYS 24 -13.663 17.777 5.430 9 HA LYS 24 HA LYS 24 -14.335 14.985 5.960 10 HB2 LYS 24 HB2 LYS 24 -14.950 16.094 3.781 11 HB3 LYS 24 HB3 LYS 24 -13.236 16.244 3.404 12 HG2 LYS 24 HG2 LYS 24 -13.116 13.675 3.618 13 HG3 LYS 24 HG3 LYS 24 -14.878 13.699 3.647 14 HD2 LYS 24 HD2 LYS 24 -14.091 13.206 1.395 15 HD3 LYS 24 HD3 LYS 24 -14.888 14.782 1.413 16 HE2 LYS 24 HE2 LYS 24 -12.632 15.869 1.541 17 HE3 LYS 24 HE3 LYS 24 -11.893 14.272 1.396 18 HZ1 LYS 24 HZ1 LYS 24 -12.942 14.018 -0.738 19 HZ2 LYS 24 HZ2 LYS 24 -12.011 15.421 -0.722 20 HZ3 LYS 24 HZ3 LYS 24 -13.694 15.519 -0.596 21 H ILE 25 H ILE 25 -12.866 13.269 5.754 22 HA ILE 25 HA ILE 25 -10.103 13.781 6.514 23 HB ILE 25 HB ILE 25 -11.733 11.983 7.472 24 HG12 ILE 25 HG12 ILE 25 -8.946 11.049 6.665 25 HG13 ILE 25 HG13 ILE 25 -9.269 12.163 7.987 26 HG21 ILE 25 HG21 ILE 25 -10.793 10.426 5.032 27 HG22 ILE 25 HG22 ILE 25 -12.429 11.039 5.284 28 HG23 ILE 25 HG23 ILE 25 -11.777 9.810 6.365 29 HD11 ILE 25 HD11 ILE 25 -10.187 9.303 7.810 30 HD12 ILE 25 HD12 ILE 25 -10.554 10.424 9.125 31 HD13 ILE 25 HD13 ILE 25 -8.887 9.949 8.810 32 H MET 26 H MET 26 -8.314 12.610 5.284 33 HA MET 26 HA MET 26 -8.547 13.353 2.473 34 HB2 MET 26 HB2 MET 26 -6.580 14.053 3.767 35 HB3 MET 26 HB3 MET 26 -6.171 12.382 4.124 36 HG2 MET 26 HG2 MET 26 -5.472 11.968 1.908 37 HG3 MET 26 HG3 MET 26 -6.284 13.403 1.284 38 HE1 MET 26 HE1 MET 26 -4.012 16.314 2.526 39 HE2 MET 26 HE2 MET 26 -5.497 15.712 3.264 40 HE3 MET 26 HE3 MET 26 -5.378 15.870 1.510 41 H LYS 27 H LYS 27 -9.256 11.931 1.017 42 HA LYS 27 HA LYS 27 -9.301 9.058 1.608 43 HB2 LYS 27 HB2 LYS 27 -10.624 10.529 -0.707 44 HB3 LYS 27 HB3 LYS 27 -10.955 8.887 -0.170 45 HG2 LYS 27 HG2 LYS 27 -11.567 11.428 1.374 46 HG3 LYS 27 HG3 LYS 27 -12.735 10.437 0.503 47 HD2 LYS 27 HD2 LYS 27 -11.129 9.576 2.944 48 HD3 LYS 27 HD3 LYS 27 -12.835 10.023 2.928 49 HE2 LYS 27 HE2 LYS 27 -11.617 7.628 1.497 50 HE3 LYS 27 HE3 LYS 27 -12.569 7.574 2.979 51 HZ1 LYS 27 HZ1 LYS 27 -13.519 8.430 0.303 52 HZ2 LYS 27 HZ2 LYS 27 -14.441 8.499 1.716 53 HZ3 LYS 27 HZ3 LYS 27 -13.929 7.005 1.110 54 H VAL 28 H VAL 28 -7.335 8.257 1.157 55 HA VAL 28 HA VAL 28 -5.930 8.895 -1.347 56 HB VAL 28 HB VAL 28 -4.955 7.143 0.958 57 HG11 VAL 28 HG11 VAL 28 -3.730 6.794 -1.129 58 HG12 VAL 28 HG12 VAL 28 -2.704 7.619 0.043 59 HG13 VAL 28 HG13 VAL 28 -3.434 8.529 -1.283 60 HG21 VAL 28 HG21 VAL 28 -5.467 9.363 1.843 61 HG22 VAL 28 HG22 VAL 28 -4.500 10.129 0.574 62 HG23 VAL 28 HG23 VAL 28 -3.720 9.110 1.789 63 H THR 29 H THR 29 -6.531 7.672 -3.034 64 HA THR 29 HA THR 29 -7.543 4.960 -2.766 65 HB THR 29 HB THR 29 -6.943 6.525 -5.329 66 HG1 THR 29 HG1 THR 29 -8.945 6.799 -3.448 67 HG21 THR 29 HG21 THR 29 -8.828 4.177 -4.810 68 HG22 THR 29 HG22 THR 29 -7.297 4.085 -5.682 69 HG23 THR 29 HG23 THR 29 -8.634 5.022 -6.349 70 H VAL 30 H VAL 30 -6.418 3.122 -3.298 71 HA VAL 30 HA VAL 30 -3.622 3.314 -4.276 72 HB VAL 30 HB VAL 30 -4.806 1.271 -2.319 73 HG11 VAL 30 HG11 VAL 30 -2.532 0.292 -2.175 74 HG12 VAL 30 HG12 VAL 30 -1.981 1.375 -3.459 75 HG13 VAL 30 HG13 VAL 30 -3.201 0.148 -3.800 76 HG21 VAL 30 HG21 VAL 30 -2.653 3.386 -1.902 77 HG22 VAL 30 HG22 VAL 30 -3.179 2.196 -0.705 78 HG23 VAL 30 HG23 VAL 30 -4.303 3.430 -1.268 79 H LYS 31 H LYS 31 -3.071 1.974 -5.941 80 HA LYS 31 HA LYS 31 -5.106 0.126 -7.046 81 HB2 LYS 31 HB2 LYS 31 -4.951 2.450 -8.194 82 HB3 LYS 31 HB3 LYS 31 -3.366 1.963 -8.753 83 HG2 LYS 31 HG2 LYS 31 -5.879 0.390 -9.398 84 HG3 LYS 31 HG3 LYS 31 -5.314 1.727 -10.399 85 HD2 LYS 31 HD2 LYS 31 -3.196 0.514 -10.811 86 HD3 LYS 31 HD3 LYS 31 -3.760 -0.812 -9.798 87 HE2 LYS 31 HE2 LYS 31 -5.669 -1.147 -11.393 88 HE3 LYS 31 HE3 LYS 31 -4.950 0.079 -12.439 89 HZ1 LYS 31 HZ1 LYS 31 -2.956 -1.312 -12.590 90 HZ2 LYS 31 HZ2 LYS 31 -4.329 -2.124 -13.156 91 HZ3 LYS 31 HZ3 LYS 31 -3.698 -2.487 -11.631 92 H THR 32 H THR 32 -4.297 -1.768 -7.701 93 HA THR 32 HA THR 32 -1.378 -2.286 -7.736 94 HB THR 32 HB THR 32 -1.804 -4.501 -6.723 95 HG1 THR 32 HG1 THR 32 -4.497 -3.768 -6.224 96 HG21 THR 32 HG21 THR 32 -2.513 -3.841 -4.459 97 HG22 THR 32 HG22 THR 32 -3.109 -2.303 -5.098 98 HG23 THR 32 HG23 THR 32 -1.385 -2.678 -5.152 99 HA PRO 33 HA PRO 33 -2.269 -4.444 -11.653 100 HB2 PRO 33 HB2 PRO 33 -0.554 -6.587 -11.548 101 HB3 PRO 33 HB3 PRO 33 -0.008 -4.932 -11.849 102 HG2 PRO 33 HG2 PRO 33 -0.052 -6.448 -9.238 103 HG3 PRO 33 HG3 PRO 33 1.285 -5.531 -9.973 104 HD2 PRO 33 HD2 PRO 33 -0.232 -4.435 -8.054 105 HD3 PRO 33 HD3 PRO 33 0.325 -3.459 -9.432 106 H LYS 34 H LYS 34 -3.205 -5.627 -8.654 107 HA LYS 34 HA LYS 34 -4.603 -7.987 -9.722 108 HB2 LYS 34 HB2 LYS 34 -4.307 -6.973 -6.852 109 HB3 LYS 34 HB3 LYS 34 -5.258 -8.380 -7.307 110 HG2 LYS 34 HG2 LYS 34 -3.258 -9.307 -6.513 111 HG3 LYS 34 HG3 LYS 34 -3.061 -9.348 -8.263 112 HD2 LYS 34 HD2 LYS 34 -1.650 -7.298 -8.138 113 HD3 LYS 34 HD3 LYS 34 -1.847 -7.280 -6.383 114 HE2 LYS 34 HE2 LYS 34 -0.497 -9.473 -7.999 115 HE3 LYS 34 HE3 LYS 34 0.323 -8.253 -7.029 116 HZ1 LYS 34 HZ1 LYS 34 -1.534 -10.309 -5.970 117 HZ2 LYS 34 HZ2 LYS 34 -0.676 -9.180 -5.055 118 HZ3 LYS 34 HZ3 LYS 34 0.149 -10.385 -5.901 119 H GLU 35 H GLU 35 -5.247 -5.006 -7.881 120 HA GLU 35 HA GLU 35 -7.967 -4.672 -8.804 121 HB2 GLU 35 HB2 GLU 35 -9.008 -5.109 -6.585 122 HB3 GLU 35 HB3 GLU 35 -8.233 -6.557 -7.220 123 HG2 GLU 35 HG2 GLU 35 -6.210 -5.947 -5.776 124 HG3 GLU 35 HG3 GLU 35 -7.238 -4.744 -5.007 125 H LYS 36 H LYS 36 -8.959 -3.095 -6.731 126 HA LYS 36 HA LYS 36 -6.914 -1.122 -5.955 127 HB2 LYS 36 HB2 LYS 36 -8.329 0.775 -6.704 128 HB3 LYS 36 HB3 LYS 36 -7.816 -0.228 -8.057 129 HG2 LYS 36 HG2 LYS 36 -9.989 -1.207 -8.301 130 HG3 LYS 36 HG3 LYS 36 -10.542 -0.559 -6.757 131 HD2 LYS 36 HD2 LYS 36 -9.861 1.096 -9.220 132 HD3 LYS 36 HD3 LYS 36 -11.491 0.668 -8.689 133 HE2 LYS 36 HE2 LYS 36 -11.087 1.900 -6.558 134 HE3 LYS 36 HE3 LYS 36 -9.501 2.391 -7.161 135 HZ1 LYS 36 HZ1 LYS 36 -12.152 3.109 -8.278 136 HZ2 LYS 36 HZ2 LYS 36 -10.687 3.455 -9.041 137 HZ3 LYS 36 HZ3 LYS 36 -11.037 4.140 -7.540 138 H GLU 37 H GLU 37 -7.552 0.249 -4.203 139 HA GLU 37 HA GLU 37 -10.092 -0.018 -2.866 140 HB2 GLU 37 HB2 GLU 37 -8.949 -2.052 -2.019 141 HB3 GLU 37 HB3 GLU 37 -7.576 -1.086 -1.502 142 HG2 GLU 37 HG2 GLU 37 -8.948 -1.677 0.406 143 HG3 GLU 37 HG3 GLU 37 -8.996 0.065 0.152 144 H GLU 38 H GLU 38 -10.487 1.740 -1.542 145 HA GLU 38 HA GLU 38 -8.434 3.869 -1.492 146 HB2 GLU 38 HB2 GLU 38 -10.445 4.483 -2.761 147 HB3 GLU 38 HB3 GLU 38 -11.475 4.049 -1.398 148 HG2 GLU 38 HG2 GLU 38 -10.540 5.876 -0.062 149 HG3 GLU 38 HG3 GLU 38 -9.417 6.283 -1.360 150 H PHE 39 H PHE 39 -8.070 4.966 0.421 151 HA PHE 39 HA PHE 39 -9.131 3.799 2.919 152 HB2 PHE 39 HB2 PHE 39 -6.245 4.674 2.414 153 HB3 PHE 39 HB3 PHE 39 -6.875 3.997 3.916 154 HD1 PHE 39 HD1 PHE 39 -7.789 1.615 3.897 155 HD2 PHE 39 HD2 PHE 39 -5.523 3.249 0.656 156 HE1 PHE 39 HE1 PHE 39 -7.403 -0.651 3.020 157 HE2 PHE 39 HE2 PHE 39 -5.138 0.971 -0.202 158 HZ PHE 39 HZ PHE 39 -6.079 -0.973 0.971 159 H ALA 40 H ALA 40 -8.871 5.281 4.769 160 HA ALA 40 HA ALA 40 -9.283 8.123 4.012 161 HB1 ALA 40 HB1 ALA 40 -11.422 7.010 4.458 162 HB2 ALA 40 HB2 ALA 40 -11.058 8.171 5.732 163 HB3 ALA 40 HB3 ALA 40 -10.831 6.446 6.022 164 H VAL 41 H VAL 41 -7.336 8.886 4.677 165 HA VAL 41 HA VAL 41 -6.398 8.267 7.421 166 HB VAL 41 HB VAL 41 -4.102 8.687 6.713 167 HG11 VAL 41 HG11 VAL 41 -4.928 6.392 6.461 168 HG12 VAL 41 HG12 VAL 41 -3.746 6.757 5.205 169 HG13 VAL 41 HG13 VAL 41 -5.468 6.741 4.816 170 HG21 VAL 41 HG21 VAL 41 -4.395 10.404 4.995 171 HG22 VAL 41 HG22 VAL 41 -5.195 9.250 3.928 172 HG23 VAL 41 HG23 VAL 41 -3.485 9.050 4.317 173 HA PRO 42 HA PRO 42 -7.126 12.640 8.118 174 HB2 PRO 42 HB2 PRO 42 -6.081 12.935 10.582 175 HB3 PRO 42 HB3 PRO 42 -7.491 11.904 10.309 176 HG2 PRO 42 HG2 PRO 42 -4.601 11.106 10.622 177 HG3 PRO 42 HG3 PRO 42 -6.048 10.379 11.356 178 HD2 PRO 42 HD2 PRO 42 -4.814 9.381 9.092 179 HD3 PRO 42 HD3 PRO 42 -6.534 9.137 9.462 180 H GLU 43 H GLU 43 -5.226 12.371 6.282 181 HA GLU 43 HA GLU 43 -3.456 13.092 5.168 182 HB2 GLU 43 HB2 GLU 43 -3.083 15.449 5.136 183 HB3 GLU 43 HB3 GLU 43 -4.778 15.200 5.523 184 HG2 GLU 43 HG2 GLU 43 -4.334 15.696 7.886 185 HG3 GLU 43 HG3 GLU 43 -2.619 15.892 7.538 186 H ASN 44 H ASN 44 -2.837 12.152 8.211 187 HA ASN 44 HA ASN 44 -0.077 13.184 8.343 188 HB2 ASN 44 HB2 ASN 44 -1.538 13.725 10.284 189 HB3 ASN 44 HB3 ASN 44 -1.824 12.010 10.559 190 HD21 ASN 44 HD21 ASN 44 0.548 14.592 10.729 191 HD22 ASN 44 HD22 ASN 44 1.669 13.760 11.752 192 H SER 45 H SER 45 -2.081 10.272 8.303 193 HA SER 45 HA SER 45 -0.347 8.372 9.317 194 HB2 SER 45 HB2 SER 45 -2.439 7.942 7.156 195 HB3 SER 45 HB3 SER 45 -1.757 6.694 8.207 196 HG SER 45 HG SER 45 -2.727 7.668 9.959 197 H SER 46 H SER 46 1.671 8.157 8.693 198 HA SER 46 HA SER 46 2.717 8.451 6.053 199 HB2 SER 46 HB2 SER 46 3.991 7.041 8.444 200 HB3 SER 46 HB3 SER 46 4.822 7.765 7.063 201 HG SER 46 HG SER 46 3.171 9.529 8.369 202 H VAL 47 H VAL 47 4.090 6.537 5.119 203 HA VAL 47 HA VAL 47 2.310 4.566 4.206 204 HB VAL 47 HB VAL 47 5.363 4.527 4.146 205 HG11 VAL 47 HG11 VAL 47 5.153 3.004 2.194 206 HG12 VAL 47 HG12 VAL 47 3.409 2.925 2.451 207 HG13 VAL 47 HG13 VAL 47 4.507 2.283 3.668 208 HG21 VAL 47 HG21 VAL 47 4.415 6.553 3.103 209 HG22 VAL 47 HG22 VAL 47 3.397 5.558 2.058 210 HG23 VAL 47 HG23 VAL 47 5.153 5.504 1.893 211 H GLN 48 H GLN 48 4.581 4.514 6.905 212 HA GLN 48 HA GLN 48 4.600 1.887 7.733 213 HB2 GLN 48 HB2 GLN 48 5.762 4.035 8.715 214 HB3 GLN 48 HB3 GLN 48 4.339 4.174 9.730 215 HG2 GLN 48 HG2 GLN 48 6.259 1.817 9.683 216 HG3 GLN 48 HG3 GLN 48 6.268 3.114 10.867 217 HE21 GLN 48 HE21 GLN 48 4.615 3.147 12.455 218 HE22 GLN 48 HE22 GLN 48 3.651 1.759 12.799 219 H GLN 49 H GLN 49 2.154 4.384 8.693 220 HA GLN 49 HA GLN 49 0.469 2.394 9.987 221 HB2 GLN 49 HB2 GLN 49 0.664 4.632 10.967 222 HB3 GLN 49 HB3 GLN 49 0.058 5.369 9.491 223 HG2 GLN 49 HG2 GLN 49 -1.653 5.320 11.252 224 HG3 GLN 49 HG3 GLN 49 -2.145 4.381 9.845 225 HE21 GLN 49 HE21 GLN 49 -3.596 3.081 10.935 226 HE22 GLN 49 HE22 GLN 49 -3.137 1.911 12.117 227 H PHE 50 H PHE 50 0.776 3.672 6.840 228 HA PHE 50 HA PHE 50 -2.006 3.588 6.076 229 HB2 PHE 50 HB2 PHE 50 -0.411 5.257 5.161 230 HB3 PHE 50 HB3 PHE 50 0.498 3.965 4.384 231 HD1 PHE 50 HD1 PHE 50 -3.072 5.164 4.578 232 HD2 PHE 50 HD2 PHE 50 0.088 3.721 2.098 233 HE1 PHE 50 HE1 PHE 50 -4.501 5.412 2.605 234 HE2 PHE 50 HE2 PHE 50 -1.348 3.977 0.125 235 HZ PHE 50 HZ PHE 50 -3.645 4.825 0.382 236 H LYS 51 H LYS 51 0.885 1.594 5.413 237 HA LYS 51 HA LYS 51 -0.508 -0.200 3.666 238 HB2 LYS 51 HB2 LYS 51 1.500 -1.134 3.133 239 HB3 LYS 51 HB3 LYS 51 2.089 0.380 3.784 240 HG2 LYS 51 HG2 LYS 51 2.100 -2.324 5.160 241 HG3 LYS 51 HG3 LYS 51 3.489 -1.478 4.481 242 HD2 LYS 51 HD2 LYS 51 2.937 0.377 6.221 243 HD3 LYS 51 HD3 LYS 51 1.918 -0.841 6.989 244 HE2 LYS 51 HE2 LYS 51 4.029 -2.336 7.002 245 HE3 LYS 51 HE3 LYS 51 4.919 -0.855 6.618 246 HZ1 LYS 51 HZ1 LYS 51 3.235 -1.316 9.005 247 HZ2 LYS 51 HZ2 LYS 51 4.000 0.132 8.632 248 HZ3 LYS 51 HZ3 LYS 51 4.920 -1.243 8.967 249 H GLU 52 H GLU 52 -0.227 0.036 7.048 250 HA GLU 52 HA GLU 52 -0.959 -2.528 7.946 251 HB2 GLU 52 HB2 GLU 52 -1.893 0.181 9.003 252 HB3 GLU 52 HB3 GLU 52 -1.970 -1.338 9.886 253 HG2 GLU 52 HG2 GLU 52 0.612 -0.101 8.934 254 HG3 GLU 52 HG3 GLU 52 -0.089 0.249 10.508 255 H GLU 53 H GLU 53 -2.928 0.222 6.841 256 HA GLU 53 HA GLU 53 -5.468 -1.058 7.122 257 HB2 GLU 53 HB2 GLU 53 -4.813 1.352 5.373 258 HB3 GLU 53 HB3 GLU 53 -6.384 0.909 6.034 259 HG2 GLU 53 HG2 GLU 53 -3.984 2.019 7.503 260 HG3 GLU 53 HG3 GLU 53 -5.589 2.728 7.343 261 H ILE 54 H ILE 54 -3.147 -0.704 4.525 262 HA ILE 54 HA ILE 54 -4.634 -1.707 2.357 263 HB ILE 54 HB ILE 54 -1.638 -1.744 2.924 264 HG12 ILE 54 HG12 ILE 54 -3.331 0.085 1.149 265 HG13 ILE 54 HG13 ILE 54 -2.577 0.526 2.677 266 HG21 ILE 54 HG21 ILE 54 -1.226 -2.264 0.581 267 HG22 ILE 54 HG22 ILE 54 -2.957 -2.362 0.263 268 HG23 ILE 54 HG23 ILE 54 -2.183 -3.546 1.318 269 HD11 ILE 54 HD11 ILE 54 -1.352 1.419 0.781 270 HD12 ILE 54 HD12 ILE 54 -1.111 -0.205 0.133 271 HD13 ILE 54 HD13 ILE 54 -0.367 0.258 1.669 272 H SER 55 H SER 55 -2.707 -3.373 4.855 273 HA SER 55 HA SER 55 -2.365 -5.814 3.504 274 HB2 SER 55 HB2 SER 55 -1.607 -6.709 5.704 275 HB3 SER 55 HB3 SER 55 -0.887 -5.140 5.333 276 HG SER 55 HG SER 55 -1.893 -4.288 6.959 277 H LYS 56 H LYS 56 -4.856 -4.824 5.809 278 HA LYS 56 HA LYS 56 -6.104 -7.412 6.039 279 HB2 LYS 56 HB2 LYS 56 -7.821 -6.211 7.349 280 HB3 LYS 56 HB3 LYS 56 -6.198 -5.776 7.872 281 HG2 LYS 56 HG2 LYS 56 -6.356 -3.673 6.534 282 HG3 LYS 56 HG3 LYS 56 -8.016 -4.101 6.109 283 HD2 LYS 56 HD2 LYS 56 -8.651 -4.013 8.500 284 HD3 LYS 56 HD3 LYS 56 -6.986 -3.603 8.930 285 HE2 LYS 56 HE2 LYS 56 -7.189 -1.521 7.562 286 HE3 LYS 56 HE3 LYS 56 -8.877 -1.922 7.244 287 HZ1 LYS 56 HZ1 LYS 56 -7.685 -1.401 9.909 288 HZ2 LYS 56 HZ2 LYS 56 -9.302 -1.789 9.621 289 HZ3 LYS 56 HZ3 LYS 56 -8.664 -0.335 9.038 290 H ARG 57 H ARG 57 -6.429 -4.742 3.820 291 HA ARG 57 HA ARG 57 -9.063 -5.522 2.842 292 HB2 ARG 57 HB2 ARG 57 -7.118 -3.294 2.197 293 HB3 ARG 57 HB3 ARG 57 -8.403 -3.662 1.053 294 HG2 ARG 57 HG2 ARG 57 -8.845 -2.944 3.970 295 HG3 ARG 57 HG3 ARG 57 -8.996 -1.823 2.612 296 HD2 ARG 57 HD2 ARG 57 -10.783 -3.272 1.653 297 HD3 ARG 57 HD3 ARG 57 -10.656 -4.327 3.063 298 HE ARG 57 HE ARG 57 -11.247 -2.153 4.339 299 HH11 ARG 57 HH11 ARG 57 -12.502 -2.895 1.143 300 HH12 ARG 57 HH12 ARG 57 -14.073 -2.235 1.474 301 HH21 ARG 57 HH21 ARG 57 -13.329 -1.272 4.741 302 HH22 ARG 57 HH22 ARG 57 -14.534 -1.310 3.496 303 H PHE 58 H PHE 58 -5.818 -5.300 1.385 304 HA PHE 58 HA PHE 58 -6.523 -6.857 -0.933 305 HB2 PHE 58 HB2 PHE 58 -3.854 -5.823 0.109 306 HB3 PHE 58 HB3 PHE 58 -4.031 -6.699 -1.410 307 HD1 PHE 58 HD1 PHE 58 -4.824 -3.523 0.349 308 HD2 PHE 58 HD2 PHE 58 -4.985 -5.610 -3.375 309 HE1 PHE 58 HE1 PHE 58 -5.335 -1.417 -0.817 310 HE2 PHE 58 HE2 PHE 58 -5.485 -3.498 -4.530 311 HZ PHE 58 HZ PHE 58 -5.660 -1.401 -3.260 312 H LYS 59 H LYS 59 -5.893 -7.755 2.250 313 HA LYS 59 HA LYS 59 -5.516 -9.696 3.336 314 HB2 LYS 59 HB2 LYS 59 -6.257 -10.951 0.665 315 HB3 LYS 59 HB3 LYS 59 -6.180 -11.823 2.194 316 HG2 LYS 59 HG2 LYS 59 -8.061 -9.529 1.560 317 HG3 LYS 59 HG3 LYS 59 -8.495 -11.243 1.592 318 HD2 LYS 59 HD2 LYS 59 -7.947 -11.326 4.011 319 HD3 LYS 59 HD3 LYS 59 -7.505 -9.616 3.971 320 HE2 LYS 59 HE2 LYS 59 -9.866 -9.105 3.244 321 HE3 LYS 59 HE3 LYS 59 -10.257 -10.807 3.516 322 HZ1 LYS 59 HZ1 LYS 59 -9.266 -8.888 5.557 323 HZ2 LYS 59 HZ2 LYS 59 -9.577 -10.527 5.830 324 HZ3 LYS 59 HZ3 LYS 59 -10.844 -9.487 5.422 325 H SER 60 H SER 60 -3.384 -8.356 2.054 326 HA SER 60 HA SER 60 -1.338 -10.466 1.821 327 HB2 SER 60 HB2 SER 60 -1.575 -7.927 0.140 328 HB3 SER 60 HB3 SER 60 -0.250 -9.092 0.068 329 HG SER 60 HG SER 60 -2.962 -9.755 -0.434 330 H HIS 61 H HIS 61 -0.030 -10.164 3.487 331 HA HIS 61 HA HIS 61 -0.496 -8.044 5.324 332 HB2 HIS 61 HB2 HIS 61 1.435 -10.389 5.393 333 HB3 HIS 61 HB3 HIS 61 1.231 -9.260 6.730 334 HD1 HIS 61 HD1 HIS 61 -0.093 -10.437 8.482 335 HD2 HIS 61 HD2 HIS 61 -1.563 -11.215 4.672 336 HE1 HIS 61 HE1 HIS 61 -2.126 -11.873 8.815 337 HE2 HIS 61 HE2 HIS 61 -3.103 -12.139 6.516 338 H THR 62 H THR 62 1.460 -6.981 6.457 339 HA THR 62 HA THR 62 2.167 -4.949 4.651 340 HB THR 62 HB THR 62 3.398 -3.955 6.601 341 HG1 THR 62 HG1 THR 62 2.510 -6.159 8.138 342 HG21 THR 62 HG21 THR 62 0.652 -5.071 7.297 343 HG22 THR 62 HG22 THR 62 0.950 -3.605 6.364 344 HG23 THR 62 HG23 THR 62 1.437 -3.680 8.054 345 H ASP 63 H ASP 63 3.955 -7.759 5.589 346 HA ASP 63 HA ASP 63 6.583 -6.984 4.894 347 HB2 ASP 63 HB2 ASP 63 6.089 -9.008 6.214 348 HB3 ASP 63 HB3 ASP 63 5.240 -9.728 4.851 349 H GLN 64 H GLN 64 3.883 -8.220 2.996 350 HA GLN 64 HA GLN 64 5.353 -8.729 0.567 351 HB2 GLN 64 HB2 GLN 64 2.337 -8.584 0.990 352 HB3 GLN 64 HB3 GLN 64 3.162 -9.304 -0.390 353 HG2 GLN 64 HG2 GLN 64 3.424 -10.330 2.451 354 HG3 GLN 64 HG3 GLN 64 2.235 -10.926 1.299 355 HE21 GLN 64 HE21 GLN 64 3.099 -13.024 1.423 356 HE22 GLN 64 HE22 GLN 64 4.595 -13.451 0.677 357 H LEU 65 H LEU 65 4.090 -5.900 1.949 358 HA LEU 65 HA LEU 65 3.109 -4.691 -0.556 359 HB2 LEU 65 HB2 LEU 65 2.954 -3.664 2.304 360 HB3 LEU 65 HB3 LEU 65 2.092 -3.016 0.915 361 HG LEU 65 HG LEU 65 1.661 -5.793 2.074 362 HD11 LEU 65 HD11 LEU 65 0.916 -4.113 3.665 363 HD12 LEU 65 HD12 LEU 65 -0.470 -4.922 2.940 364 HD13 LEU 65 HD13 LEU 65 -0.023 -3.299 2.410 365 HD21 LEU 65 HD21 LEU 65 0.091 -4.311 -0.065 366 HD22 LEU 65 HD22 LEU 65 -0.332 -5.877 0.629 367 HD23 LEU 65 HD23 LEU 65 1.138 -5.710 -0.324 368 H VAL 66 H VAL 66 4.508 -3.496 -1.719 369 HA VAL 66 HA VAL 66 5.988 -1.363 -0.295 370 HB VAL 66 HB VAL 66 7.703 -1.313 -2.140 371 HG11 VAL 66 HG11 VAL 66 7.633 -3.944 -0.605 372 HG12 VAL 66 HG12 VAL 66 8.263 -2.406 -0.010 373 HG13 VAL 66 HG13 VAL 66 9.064 -3.222 -1.352 374 HG21 VAL 66 HG21 VAL 66 6.506 -3.982 -3.013 375 HG22 VAL 66 HG22 VAL 66 8.004 -3.283 -3.633 376 HG23 VAL 66 HG23 VAL 66 6.465 -2.474 -3.932 377 H LEU 67 H LEU 67 5.143 0.571 -0.787 378 HA LEU 67 HA LEU 67 3.405 0.962 -3.093 379 HB2 LEU 67 HB2 LEU 67 4.419 2.899 -0.973 380 HB3 LEU 67 HB3 LEU 67 3.303 3.342 -2.251 381 HG LEU 67 HG LEU 67 2.715 1.359 -0.013 382 HD11 LEU 67 HD11 LEU 67 1.626 4.164 -0.448 383 HD12 LEU 67 HD12 LEU 67 2.836 3.716 0.753 384 HD13 LEU 67 HD13 LEU 67 1.208 3.058 0.862 385 HD21 LEU 67 HD21 LEU 67 0.887 2.403 -2.204 386 HD22 LEU 67 HD22 LEU 67 0.396 1.390 -0.849 387 HD23 LEU 67 HD23 LEU 67 1.499 0.755 -2.063 388 H ILE 68 H ILE 68 3.849 2.617 -4.685 389 HA ILE 68 HA ILE 68 6.667 3.355 -5.109 390 HB ILE 68 HB ILE 68 4.845 2.035 -7.185 391 HG12 ILE 68 HG12 ILE 68 7.137 0.741 -7.592 392 HG13 ILE 68 HG13 ILE 68 7.541 1.302 -5.979 393 HG21 ILE 68 HG21 ILE 68 7.368 3.640 -7.756 394 HG22 ILE 68 HG22 ILE 68 5.727 3.989 -8.305 395 HG23 ILE 68 HG23 ILE 68 6.573 2.575 -8.923 396 HD11 ILE 68 HD11 ILE 68 6.687 -0.964 -5.954 397 HD12 ILE 68 HD12 ILE 68 5.190 -0.436 -6.721 398 HD13 ILE 68 HD13 ILE 68 5.587 0.111 -5.092 399 H PHE 69 H PHE 69 6.881 5.414 -5.597 400 HA PHE 69 HA PHE 69 5.219 6.878 -7.368 401 HB2 PHE 69 HB2 PHE 69 3.958 6.977 -5.057 402 HB3 PHE 69 HB3 PHE 69 5.239 8.074 -4.560 403 HD1 PHE 69 HD1 PHE 69 5.429 10.332 -5.618 404 HD2 PHE 69 HD2 PHE 69 2.261 7.654 -6.673 405 HE1 PHE 69 HE1 PHE 69 4.205 12.183 -6.670 406 HE2 PHE 69 HE2 PHE 69 1.047 9.516 -7.726 407 HZ PHE 69 HZ PHE 69 2.017 11.782 -7.724 408 H ALA 70 H ALA 70 6.228 8.906 -7.933 409 HA ALA 70 HA ALA 70 7.913 10.346 -8.377 410 HB1 ALA 70 HB1 ALA 70 9.498 10.999 -6.614 411 HB2 ALA 70 HB2 ALA 70 9.044 9.583 -5.663 412 HB3 ALA 70 HB3 ALA 70 7.865 10.860 -5.956 413 H GLY 71 H GLY 71 8.148 7.296 -8.820 414 HA2 GLY 71 HA2 GLY 71 9.595 6.040 -10.127 415 HA3 GLY 71 HA3 GLY 71 10.822 7.286 -9.967 416 H LYS 72 H LYS 72 9.610 6.482 -6.918 417 HA LYS 72 HA LYS 72 11.683 4.438 -6.407 418 HB2 LYS 72 HB2 LYS 72 12.195 5.629 -4.211 419 HB3 LYS 72 HB3 LYS 72 12.748 6.453 -5.657 420 HG2 LYS 72 HG2 LYS 72 11.910 8.228 -4.402 421 HG3 LYS 72 HG3 LYS 72 10.533 7.839 -5.428 422 HD2 LYS 72 HD2 LYS 72 9.715 8.211 -3.176 423 HD3 LYS 72 HD3 LYS 72 9.559 6.494 -3.540 424 HE2 LYS 72 HE2 LYS 72 10.367 6.805 -1.257 425 HE3 LYS 72 HE3 LYS 72 11.619 6.044 -2.241 426 HZ1 LYS 72 HZ1 LYS 72 11.507 8.944 -1.650 427 HZ2 LYS 72 HZ2 LYS 72 12.761 8.103 -2.413 428 HZ3 LYS 72 HZ3 LYS 72 12.427 7.828 -0.781 429 H ILE 73 H ILE 73 11.319 3.366 -4.280 430 HA ILE 73 HA ILE 73 8.499 2.677 -3.970 431 HB ILE 73 HB ILE 73 9.162 0.752 -2.656 432 HG12 ILE 73 HG12 ILE 73 11.119 1.705 -1.399 433 HG13 ILE 73 HG13 ILE 73 11.457 0.122 -2.071 434 HG21 ILE 73 HG21 ILE 73 10.448 -0.516 -4.353 435 HG22 ILE 73 HG22 ILE 73 10.869 1.001 -5.150 436 HG23 ILE 73 HG23 ILE 73 9.184 0.487 -5.069 437 HD11 ILE 73 HD11 ILE 73 13.387 1.512 -2.260 438 HD12 ILE 73 HD12 ILE 73 12.468 2.779 -3.068 439 HD13 ILE 73 HD13 ILE 73 12.747 1.236 -3.881 440 H LEU 74 H LEU 74 7.262 3.426 -2.395 441 HA LEU 74 HA LEU 74 8.266 5.129 -0.281 442 HB2 LEU 74 HB2 LEU 74 5.398 4.163 -0.508 443 HB3 LEU 74 HB3 LEU 74 5.997 5.642 0.215 444 HG LEU 74 HG LEU 74 5.758 5.026 -2.750 445 HD11 LEU 74 HD11 LEU 74 4.310 7.059 -1.028 446 HD12 LEU 74 HD12 LEU 74 3.632 5.566 -1.682 447 HD13 LEU 74 HD13 LEU 74 4.123 6.859 -2.773 448 HD21 LEU 74 HD21 LEU 74 7.788 6.323 -2.418 449 HD22 LEU 74 HD22 LEU 74 6.910 7.514 -1.458 450 HD23 LEU 74 HD23 LEU 74 6.549 7.320 -3.175 451 H LYS 75 H LYS 75 9.131 4.179 1.447 452 HA LYS 75 HA LYS 75 8.071 1.621 2.503 453 HB2 LYS 75 HB2 LYS 75 10.746 2.986 3.059 454 HB3 LYS 75 HB3 LYS 75 10.246 1.412 3.666 455 HG2 LYS 75 HG2 LYS 75 10.823 2.155 0.781 456 HG3 LYS 75 HG3 LYS 75 11.800 1.120 1.823 457 HD2 LYS 75 HD2 LYS 75 9.021 0.512 0.725 458 HD3 LYS 75 HD3 LYS 75 10.533 -0.260 0.249 459 HE2 LYS 75 HE2 LYS 75 9.125 -0.500 2.930 460 HE3 LYS 75 HE3 LYS 75 9.308 -1.760 1.713 461 HZ1 LYS 75 HZ1 LYS 75 11.698 -1.702 2.091 462 HZ2 LYS 75 HZ2 LYS 75 10.861 -2.052 3.513 463 HZ3 LYS 75 HZ3 LYS 75 11.502 -0.512 3.271 464 H ASP 76 H ASP 76 8.770 1.662 5.078 465 HA ASP 76 HA ASP 76 6.869 3.319 6.360 466 HB2 ASP 76 HB2 ASP 76 7.727 2.374 8.477 467 HB3 ASP 76 HB3 ASP 76 7.473 1.127 7.265 468 H GLN 77 H GLN 77 10.144 3.948 5.537 469 HA GLN 77 HA GLN 77 10.689 6.135 7.291 470 HB2 GLN 77 HB2 GLN 77 12.429 6.749 5.543 471 HB3 GLN 77 HB3 GLN 77 12.554 5.102 6.151 472 HG2 GLN 77 HG2 GLN 77 11.587 4.192 4.145 473 HG3 GLN 77 HG3 GLN 77 11.135 5.792 3.568 474 HE21 GLN 77 HE21 GLN 77 12.209 5.428 1.619 475 HE22 GLN 77 HE22 GLN 77 13.933 5.461 1.497 476 H ASP 78 H ASP 78 8.963 5.827 4.243 477 HA ASP 78 HA ASP 78 8.843 8.698 3.709 478 HB2 ASP 78 HB2 ASP 78 7.728 6.326 2.136 479 HB3 ASP 78 HB3 ASP 78 7.642 8.005 1.608 480 H THR 79 H THR 79 6.822 9.799 3.356 481 HA THR 79 HA THR 79 4.373 8.483 4.403 482 HB THR 79 HB THR 79 3.534 10.534 5.260 483 HG1 THR 79 HG1 THR 79 4.806 12.568 4.743 484 HG21 THR 79 HG21 THR 79 5.435 9.814 6.662 485 HG22 THR 79 HG22 THR 79 5.268 11.568 6.665 486 HG23 THR 79 HG23 THR 79 6.527 10.804 5.693 487 H LEU 80 H LEU 80 2.408 9.009 3.197 488 HA LEU 80 HA LEU 80 2.758 9.091 0.366 489 HB2 LEU 80 HB2 LEU 80 0.213 9.173 0.325 490 HB3 LEU 80 HB3 LEU 80 0.946 7.807 1.134 491 HG LEU 80 HG LEU 80 0.532 9.319 3.326 492 HD11 LEU 80 HD11 LEU 80 -1.695 10.295 1.519 493 HD12 LEU 80 HD12 LEU 80 -0.391 11.269 2.198 494 HD13 LEU 80 HD13 LEU 80 -1.587 10.542 3.266 495 HD21 LEU 80 HD21 LEU 80 -1.555 8.092 3.731 496 HD22 LEU 80 HD22 LEU 80 -0.314 7.053 3.024 497 HD23 LEU 80 HD23 LEU 80 -1.639 7.655 2.018 498 H SER 81 H SER 81 1.713 11.473 2.756 499 HA SER 81 HA SER 81 0.968 13.549 0.987 500 HB2 SER 81 HB2 SER 81 0.238 13.403 3.375 501 HB3 SER 81 HB3 SER 81 1.886 13.763 3.890 502 HG SER 81 HG SER 81 1.244 15.757 3.777 503 H GLN 82 H GLN 82 4.073 12.573 2.302 504 HA GLN 82 HA GLN 82 5.720 14.786 1.765 505 HB2 GLN 82 HB2 GLN 82 6.519 12.853 3.031 506 HB3 GLN 82 HB3 GLN 82 6.295 11.792 1.650 507 HG2 GLN 82 HG2 GLN 82 8.135 12.986 0.473 508 HG3 GLN 82 HG3 GLN 82 8.369 13.990 1.904 509 HE21 GLN 82 HE21 GLN 82 10.529 13.217 2.086 510 HE22 GLN 82 HE22 GLN 82 10.874 11.636 2.693 511 H HIS 83 H HIS 83 4.511 12.220 -0.316 512 HA HIS 83 HA HIS 83 6.008 13.180 -2.669 513 HB2 HIS 83 HB2 HIS 83 4.371 10.651 -2.183 514 HB3 HIS 83 HB3 HIS 83 5.168 11.039 -3.711 515 HD1 HIS 83 HD1 HIS 83 5.980 10.226 -0.114 516 HD2 HIS 83 HD2 HIS 83 7.883 10.542 -3.785 517 HE1 HIS 83 HE1 HIS 83 8.325 9.445 0.276 518 HE2 HIS 83 HE2 HIS 83 9.504 9.914 -1.885 519 H GLY 84 H GLY 84 3.360 14.244 -1.287 520 HA2 GLY 84 HA2 GLY 84 1.853 15.785 -2.094 521 HA3 GLY 84 HA3 GLY 84 2.350 15.401 -3.735 522 H ILE 85 H ILE 85 1.547 12.612 -2.001 523 HA ILE 85 HA ILE 85 -0.837 12.170 -3.585 524 HB ILE 85 HB ILE 85 0.292 10.424 -1.352 525 HG12 ILE 85 HG12 ILE 85 0.845 10.114 -4.354 526 HG13 ILE 85 HG13 ILE 85 1.970 10.863 -3.224 527 HG21 ILE 85 HG21 ILE 85 -2.067 9.960 -1.970 528 HG22 ILE 85 HG22 ILE 85 -1.006 8.626 -2.373 529 HG23 ILE 85 HG23 ILE 85 -1.578 9.696 -3.648 530 HD11 ILE 85 HD11 ILE 85 2.151 8.780 -1.992 531 HD12 ILE 85 HD12 ILE 85 2.559 8.560 -3.692 532 HD13 ILE 85 HD13 ILE 85 0.995 8.016 -3.089 533 H HIS 86 H HIS 86 -2.666 13.067 -2.951 534 HA HIS 86 HA HIS 86 -3.453 13.225 -0.107 535 HB2 HIS 86 HB2 HIS 86 -3.604 15.482 -2.165 536 HB3 HIS 86 HB3 HIS 86 -4.308 15.545 -0.549 537 HD1 HIS 86 HD1 HIS 86 -1.596 16.948 -2.177 538 HD2 HIS 86 HD2 HIS 86 -1.888 14.813 1.381 539 HE1 HIS 86 HE1 HIS 86 0.436 17.575 -0.839 540 HE2 HIS 86 HE2 HIS 86 0.169 16.372 1.356 541 H ASP 87 H ASP 87 -5.925 14.411 -0.472 542 HA ASP 87 HA ASP 87 -7.587 12.344 -1.410 543 HB2 ASP 87 HB2 ASP 87 -8.355 13.973 0.262 544 HB3 ASP 87 HB3 ASP 87 -8.205 15.284 -0.899 545 H GLY 88 H GLY 88 -8.169 11.812 -3.437 546 HA2 GLY 88 HA2 GLY 88 -8.986 12.236 -5.630 547 HA3 GLY 88 HA3 GLY 88 -8.202 13.808 -5.621 548 H LEU 89 H LEU 89 -5.846 12.003 -4.390 549 HA LEU 89 HA LEU 89 -4.682 11.243 -6.995 550 HB2 LEU 89 HB2 LEU 89 -3.353 11.685 -4.289 551 HB3 LEU 89 HB3 LEU 89 -2.509 11.048 -5.687 552 HG LEU 89 HG LEU 89 -1.909 13.349 -5.519 553 HD11 LEU 89 HD11 LEU 89 -2.294 12.604 -7.808 554 HD12 LEU 89 HD12 LEU 89 -2.666 14.315 -7.632 555 HD13 LEU 89 HD13 LEU 89 -3.977 13.136 -7.727 556 HD21 LEU 89 HD21 LEU 89 -4.848 14.085 -5.365 557 HD22 LEU 89 HD22 LEU 89 -3.496 15.221 -5.440 558 HD23 LEU 89 HD23 LEU 89 -3.672 14.156 -4.047 559 H THR 90 H THR 90 -3.363 9.286 -7.023 560 HA THR 90 HA THR 90 -4.346 7.065 -5.340 561 HB THR 90 HB THR 90 -3.892 6.985 -8.365 562 HG1 THR 90 HG1 THR 90 -5.962 7.882 -7.067 563 HG21 THR 90 HG21 THR 90 -3.383 4.801 -7.336 564 HG22 THR 90 HG22 THR 90 -4.887 4.708 -8.250 565 HG23 THR 90 HG23 THR 90 -4.934 4.818 -6.490 566 H VAL 91 H VAL 91 -2.775 5.614 -4.694 567 HA VAL 91 HA VAL 91 0.034 6.148 -5.388 568 HB VAL 91 HB VAL 91 -0.803 4.018 -3.377 569 HG11 VAL 91 HG11 VAL 91 1.564 4.153 -4.025 570 HG12 VAL 91 HG12 VAL 91 1.352 4.567 -2.327 571 HG13 VAL 91 HG13 VAL 91 1.629 5.842 -3.513 572 HG21 VAL 91 HG21 VAL 91 -0.820 5.610 -1.535 573 HG22 VAL 91 HG22 VAL 91 -2.073 6.028 -2.705 574 HG23 VAL 91 HG23 VAL 91 -0.571 6.947 -2.655 575 H HIS 92 H HIS 92 1.347 4.513 -6.224 576 HA HIS 92 HA HIS 92 0.068 2.205 -7.519 577 HB2 HIS 92 HB2 HIS 92 3.045 2.926 -7.503 578 HB3 HIS 92 HB3 HIS 92 2.190 1.885 -8.645 579 HD1 HIS 92 HD1 HIS 92 2.921 5.458 -7.873 580 HD2 HIS 92 HD2 HIS 92 0.723 3.277 -10.640 581 HE1 HIS 92 HE1 HIS 92 2.255 7.102 -9.649 582 HE2 HIS 92 HE2 HIS 92 0.815 5.784 -11.242 583 H LEU 93 H LEU 93 0.301 0.121 -6.688 584 HA LEU 93 HA LEU 93 2.222 -0.350 -4.482 585 HB2 LEU 93 HB2 LEU 93 0.090 -0.014 -3.365 586 HB3 LEU 93 HB3 LEU 93 -0.731 -1.070 -4.497 587 HG LEU 93 HG LEU 93 0.543 -3.025 -3.555 588 HD11 LEU 93 HD11 LEU 93 1.510 -1.096 -1.437 589 HD12 LEU 93 HD12 LEU 93 2.502 -1.895 -2.657 590 HD13 LEU 93 HD13 LEU 93 1.701 -2.853 -1.416 591 HD21 LEU 93 HD21 LEU 93 -1.722 -2.543 -2.791 592 HD22 LEU 93 HD22 LEU 93 -1.096 -1.490 -1.520 593 HD23 LEU 93 HD23 LEU 93 -0.747 -3.223 -1.493 594 H VAL 94 H VAL 94 3.320 -2.124 -4.729 595 HA VAL 94 HA VAL 94 2.390 -4.235 -6.581 596 HB VAL 94 HB VAL 94 5.288 -3.415 -6.013 597 HG11 VAL 94 HG11 VAL 94 5.119 -5.851 -6.313 598 HG12 VAL 94 HG12 VAL 94 5.924 -5.119 -7.699 599 HG13 VAL 94 HG13 VAL 94 4.238 -5.630 -7.827 600 HG21 VAL 94 HG21 VAL 94 3.650 -3.184 -8.574 601 HG22 VAL 94 HG22 VAL 94 5.360 -2.777 -8.403 602 HG23 VAL 94 HG23 VAL 94 4.145 -1.850 -7.530 603 H ILE 95 H ILE 95 1.913 -6.002 -5.602 604 HA ILE 95 HA ILE 95 2.799 -6.520 -2.835 605 HB ILE 95 HB ILE 95 0.495 -7.825 -4.370 606 HG12 ILE 95 HG12 ILE 95 0.369 -5.471 -2.411 607 HG13 ILE 95 HG13 ILE 95 0.014 -5.401 -4.133 608 HG21 ILE 95 HG21 ILE 95 -0.240 -8.564 -2.139 609 HG22 ILE 95 HG22 ILE 95 1.143 -7.763 -1.391 610 HG23 ILE 95 HG23 ILE 95 1.393 -9.133 -2.475 611 HD11 ILE 95 HD11 ILE 95 -1.560 -6.909 -2.044 612 HD12 ILE 95 HD12 ILE 95 -1.917 -6.890 -3.777 613 HD13 ILE 95 HD13 ILE 95 -2.016 -5.400 -2.838 614 H LYS 96 H LYS 96 3.971 -8.360 -2.399 615 HA LYS 96 HA LYS 96 4.748 -10.058 -4.660 616 HB2 LYS 96 HB2 LYS 96 6.526 -9.012 -3.242 617 HB3 LYS 96 HB3 LYS 96 5.942 -9.924 -1.857 618 HG2 LYS 96 HG2 LYS 96 8.016 -10.844 -3.022 619 HG3 LYS 96 HG3 LYS 96 6.706 -11.990 -2.751 620 HD2 LYS 96 HD2 LYS 96 7.689 -12.291 -4.987 621 HD3 LYS 96 HD3 LYS 96 6.002 -11.801 -5.097 622 HE2 LYS 96 HE2 LYS 96 6.800 -9.440 -5.519 623 HE3 LYS 96 HE3 LYS 96 8.446 -10.068 -5.603 624 HZ1 LYS 96 HZ1 LYS 96 7.510 -9.856 -7.805 625 HZ2 LYS 96 HZ2 LYS 96 6.176 -10.800 -7.380 626 HZ3 LYS 96 HZ3 LYS 96 7.709 -11.502 -7.453 627 H THR 97 H THR 97 2.352 -10.647 -4.429 628 HA THR 97 HA THR 97 2.266 -13.311 -3.160 629 HB THR 97 HB THR 97 -0.222 -13.037 -2.831 630 HG1 THR 97 HG1 THR 97 -0.893 -10.710 -2.703 631 HG21 THR 97 HG21 THR 97 1.239 -12.773 -0.877 632 HG22 THR 97 HG22 THR 97 -0.130 -11.658 -0.779 633 HG23 THR 97 HG23 THR 97 1.460 -11.063 -1.259 634 H GLN 98 H GLN 98 1.819 -14.879 -4.630 635 HA GLN 98 HA GLN 98 1.245 -14.334 -7.378 636 HB2 GLN 98 HB2 GLN 98 1.013 -16.796 -7.624 637 HB3 GLN 98 HB3 GLN 98 2.488 -16.347 -6.781 638 HG2 GLN 98 HG2 GLN 98 1.528 -17.009 -4.641 639 HG3 GLN 98 HG3 GLN 98 -0.029 -17.339 -5.403 640 HE21 GLN 98 HE21 GLN 98 1.724 -19.132 -3.873 641 HE22 GLN 98 HE22 GLN 98 2.062 -20.468 -4.908 642 H ASN 99 H ASN 99 -0.659 -15.364 -4.612 643 HA ASN 99 HA ASN 99 -3.037 -14.155 -5.744 644 HB2 ASN 99 HB2 ASN 99 -4.509 -16.049 -5.386 645 HB3 ASN 99 HB3 ASN 99 -3.186 -16.612 -6.397 646 HD21 ASN 99 HD21 ASN 99 -4.756 -16.893 -3.312 647 HD22 ASN 99 HD22 ASN 99 -3.843 -18.243 -2.739 648 H ARG 100 H ARG 100 -4.616 -13.743 -4.048 649 HA ARG 100 HA ARG 100 -3.506 -13.858 -1.308 650 HB2 ARG 100 HB2 ARG 100 -4.534 -11.666 -0.849 651 HB3 ARG 100 HB3 ARG 100 -3.391 -11.555 -2.171 652 HG2 ARG 100 HG2 ARG 100 -5.124 -10.187 -2.910 653 HG3 ARG 100 HG3 ARG 100 -5.505 -11.706 -3.718 654 HD2 ARG 100 HD2 ARG 100 -7.265 -12.190 -2.160 655 HD3 ARG 100 HD3 ARG 100 -6.734 -10.916 -1.065 656 HE ARG 100 HE ARG 100 -7.351 -9.539 -3.296 657 HH11 ARG 100 HH11 ARG 100 -9.176 -11.968 -1.528 658 HH12 ARG 100 HH12 ARG 100 -10.698 -11.171 -1.785 659 HH21 ARG 100 HH21 ARG 100 -9.340 -8.491 -3.602 660 HH22 ARG 100 HH22 ARG 100 -10.796 -9.208 -2.970 661 HA PRO 101 HA PRO 101 -7.333 -15.991 -0.267 662 HB2 PRO 101 HB2 PRO 101 -7.222 -14.729 2.447 663 HB3 PRO 101 HB3 PRO 101 -7.124 -16.435 1.998 664 HG2 PRO 101 HG2 PRO 101 -4.948 -15.113 2.864 665 HG3 PRO 101 HG3 PRO 101 -4.828 -16.328 1.569 666 HD2 PRO 101 HD2 PRO 101 -4.946 -13.312 1.327 667 HD3 PRO 101 HD3 PRO 101 -3.838 -14.463 0.536 Start of MODEL 13 1 HA PRO 23 HA PRO 23 -11.254 20.616 5.838 2 HB2 PRO 23 HB2 PRO 23 -9.921 18.892 7.672 3 HB3 PRO 23 HB3 PRO 23 -9.578 20.609 7.400 4 HG2 PRO 23 HG2 PRO 23 -11.347 19.339 9.469 5 HG3 PRO 23 HG3 PRO 23 -10.269 20.745 9.624 6 HD2 PRO 23 HD2 PRO 23 -12.905 21.122 9.409 7 HD3 PRO 23 HD3 PRO 23 -11.797 22.187 8.523 8 H LYS 24 H LYS 24 -11.244 19.040 4.341 9 HA LYS 24 HA LYS 24 -12.835 16.647 4.567 10 HB2 LYS 24 HB2 LYS 24 -12.522 17.913 2.405 11 HB3 LYS 24 HB3 LYS 24 -10.829 17.436 2.395 12 HG2 LYS 24 HG2 LYS 24 -11.719 14.989 2.440 13 HG3 LYS 24 HG3 LYS 24 -13.278 15.687 2.017 14 HD2 LYS 24 HD2 LYS 24 -10.723 15.969 0.398 15 HD3 LYS 24 HD3 LYS 24 -12.036 14.843 0.044 16 HE2 LYS 24 HE2 LYS 24 -13.555 16.679 -0.411 17 HE3 LYS 24 HE3 LYS 24 -12.357 17.866 0.116 18 HZ1 LYS 24 HZ1 LYS 24 -10.937 17.150 -1.711 19 HZ2 LYS 24 HZ2 LYS 24 -12.420 17.741 -2.266 20 HZ3 LYS 24 HZ3 LYS 24 -12.132 16.073 -2.233 21 H ILE 25 H ILE 25 -12.088 14.505 4.586 22 HA ILE 25 HA ILE 25 -9.442 13.979 5.696 23 HB ILE 25 HB ILE 25 -11.667 12.833 6.408 24 HG12 ILE 25 HG12 ILE 25 -9.294 11.025 5.748 25 HG13 ILE 25 HG13 ILE 25 -9.368 12.120 7.123 26 HG21 ILE 25 HG21 ILE 25 -12.346 10.825 5.174 27 HG22 ILE 25 HG22 ILE 25 -11.097 11.108 3.960 28 HG23 ILE 25 HG23 ILE 25 -12.452 12.236 4.118 29 HD11 ILE 25 HD11 ILE 25 -11.243 10.873 8.021 30 HD12 ILE 25 HD12 ILE 25 -9.816 9.860 7.784 31 HD13 ILE 25 HD13 ILE 25 -11.165 9.765 6.650 32 H MET 26 H MET 26 -7.938 12.439 4.564 33 HA MET 26 HA MET 26 -7.730 13.297 1.793 34 HB2 MET 26 HB2 MET 26 -5.837 11.579 3.452 35 HB3 MET 26 HB3 MET 26 -5.496 12.186 1.834 36 HG2 MET 26 HG2 MET 26 -5.908 13.862 4.317 37 HG3 MET 26 HG3 MET 26 -4.373 13.520 3.533 38 HE1 MET 26 HE1 MET 26 -6.864 16.232 4.043 39 HE2 MET 26 HE2 MET 26 -7.918 15.304 2.978 40 HE3 MET 26 HE3 MET 26 -7.273 16.858 2.447 41 H LYS 27 H LYS 27 -8.974 12.258 0.414 42 HA LYS 27 HA LYS 27 -9.592 9.433 0.550 43 HB2 LYS 27 HB2 LYS 27 -10.260 11.374 -1.702 44 HB3 LYS 27 HB3 LYS 27 -11.051 9.850 -1.333 45 HG2 LYS 27 HG2 LYS 27 -11.213 12.425 0.255 46 HG3 LYS 27 HG3 LYS 27 -12.493 11.688 -0.707 47 HD2 LYS 27 HD2 LYS 27 -11.306 10.622 1.879 48 HD3 LYS 27 HD3 LYS 27 -12.916 11.305 1.652 49 HE2 LYS 27 HE2 LYS 27 -11.868 8.681 0.539 50 HE3 LYS 27 HE3 LYS 27 -13.095 8.890 1.784 51 HZ1 LYS 27 HZ1 LYS 27 -13.318 9.536 -1.098 52 HZ2 LYS 27 HZ2 LYS 27 -14.463 10.017 0.048 53 HZ3 LYS 27 HZ3 LYS 27 -14.180 8.372 -0.227 54 H VAL 28 H VAL 28 -7.610 8.418 0.247 55 HA VAL 28 HA VAL 28 -5.974 9.084 -2.112 56 HB VAL 28 HB VAL 28 -5.221 7.235 0.190 57 HG11 VAL 28 HG11 VAL 28 -2.900 7.723 -0.513 58 HG12 VAL 28 HG12 VAL 28 -3.509 8.727 -1.832 59 HG13 VAL 28 HG13 VAL 28 -3.836 6.993 -1.817 60 HG21 VAL 28 HG21 VAL 28 -4.655 10.216 0.027 61 HG22 VAL 28 HG22 VAL 28 -4.083 9.102 1.272 62 HG23 VAL 28 HG23 VAL 28 -5.803 9.438 1.125 63 H THR 29 H THR 29 -6.444 7.903 -3.851 64 HA THR 29 HA THR 29 -7.551 5.225 -3.702 65 HB THR 29 HB THR 29 -6.683 6.816 -6.165 66 HG1 THR 29 HG1 THR 29 -8.675 7.291 -4.464 67 HG21 THR 29 HG21 THR 29 -8.596 4.461 -5.870 68 HG22 THR 29 HG22 THR 29 -6.999 4.399 -6.617 69 HG23 THR 29 HG23 THR 29 -8.282 5.347 -7.365 70 H VAL 30 H VAL 30 -6.445 3.360 -4.185 71 HA VAL 30 HA VAL 30 -3.520 3.497 -4.645 72 HB VAL 30 HB VAL 30 -5.043 1.613 -2.777 73 HG11 VAL 30 HG11 VAL 30 -2.834 0.702 -2.137 74 HG12 VAL 30 HG12 VAL 30 -2.066 1.692 -3.383 75 HG13 VAL 30 HG13 VAL 30 -3.195 0.417 -3.841 76 HG21 VAL 30 HG21 VAL 30 -3.764 2.701 -0.967 77 HG22 VAL 30 HG22 VAL 30 -4.767 3.861 -1.834 78 HG23 VAL 30 HG23 VAL 30 -3.031 3.806 -2.141 79 H LYS 31 H LYS 31 -3.077 2.586 -6.541 80 HA LYS 31 HA LYS 31 -4.918 0.660 -7.778 81 HB2 LYS 31 HB2 LYS 31 -4.126 2.769 -8.989 82 HB3 LYS 31 HB3 LYS 31 -2.513 2.082 -9.033 83 HG2 LYS 31 HG2 LYS 31 -4.889 0.646 -10.252 84 HG3 LYS 31 HG3 LYS 31 -4.009 1.882 -11.148 85 HD2 LYS 31 HD2 LYS 31 -1.947 0.547 -11.014 86 HD3 LYS 31 HD3 LYS 31 -2.764 -0.652 -10.010 87 HE2 LYS 31 HE2 LYS 31 -2.630 -1.502 -12.268 88 HE3 LYS 31 HE3 LYS 31 -4.313 -1.124 -11.912 89 HZ1 LYS 31 HZ1 LYS 31 -2.466 0.612 -13.439 90 HZ2 LYS 31 HZ2 LYS 31 -4.103 0.899 -13.163 91 HZ3 LYS 31 HZ3 LYS 31 -3.623 -0.410 -14.113 92 H THR 32 H THR 32 -4.357 -1.401 -8.087 93 HA THR 32 HA THR 32 -1.674 -2.412 -7.332 94 HB THR 32 HB THR 32 -2.781 -4.323 -6.218 95 HG1 THR 32 HG1 THR 32 -5.310 -3.098 -6.436 96 HG21 THR 32 HG21 THR 32 -3.977 -1.710 -5.234 97 HG22 THR 32 HG22 THR 32 -2.372 -2.321 -4.833 98 HG23 THR 32 HG23 THR 32 -3.802 -3.197 -4.295 99 HA PRO 33 HA PRO 33 -2.052 -4.769 -11.175 100 HB2 PRO 33 HB2 PRO 33 -0.822 -7.149 -10.662 101 HB3 PRO 33 HB3 PRO 33 0.066 -5.623 -10.752 102 HG2 PRO 33 HG2 PRO 33 -0.901 -7.101 -8.306 103 HG3 PRO 33 HG3 PRO 33 0.689 -6.369 -8.614 104 HD2 PRO 33 HD2 PRO 33 -1.237 -5.124 -7.139 105 HD3 PRO 33 HD3 PRO 33 -0.061 -4.223 -8.118 106 H LYS 34 H LYS 34 -4.215 -5.306 -8.856 107 HA LYS 34 HA LYS 34 -5.621 -7.361 -10.416 108 HB2 LYS 34 HB2 LYS 34 -6.652 -8.292 -8.318 109 HB3 LYS 34 HB3 LYS 34 -4.947 -8.635 -8.507 110 HG2 LYS 34 HG2 LYS 34 -5.934 -6.381 -6.748 111 HG3 LYS 34 HG3 LYS 34 -5.820 -8.035 -6.155 112 HD2 LYS 34 HD2 LYS 34 -3.530 -6.277 -7.130 113 HD3 LYS 34 HD3 LYS 34 -3.827 -6.805 -5.472 114 HE2 LYS 34 HE2 LYS 34 -3.045 -8.592 -7.811 115 HE3 LYS 34 HE3 LYS 34 -1.993 -8.100 -6.489 116 HZ1 LYS 34 HZ1 LYS 34 -4.436 -9.758 -6.201 117 HZ2 LYS 34 HZ2 LYS 34 -3.354 -9.340 -4.971 118 HZ3 LYS 34 HZ3 LYS 34 -2.851 -10.338 -6.224 119 H GLU 35 H GLU 35 -5.809 -4.424 -8.488 120 HA GLU 35 HA GLU 35 -8.378 -3.652 -9.508 121 HB2 GLU 35 HB2 GLU 35 -9.683 -3.840 -7.412 122 HB3 GLU 35 HB3 GLU 35 -9.137 -5.421 -7.960 123 HG2 GLU 35 HG2 GLU 35 -7.216 -5.236 -6.322 124 HG3 GLU 35 HG3 GLU 35 -7.984 -3.779 -5.688 125 H LYS 36 H LYS 36 -9.251 -1.906 -7.510 126 HA LYS 36 HA LYS 36 -6.982 -0.597 -6.236 127 HB2 LYS 36 HB2 LYS 36 -7.577 1.669 -6.997 128 HB3 LYS 36 HB3 LYS 36 -7.136 0.645 -8.359 129 HG2 LYS 36 HG2 LYS 36 -9.463 0.414 -9.016 130 HG3 LYS 36 HG3 LYS 36 -9.998 1.268 -7.568 131 HD2 LYS 36 HD2 LYS 36 -10.084 2.772 -9.505 132 HD3 LYS 36 HD3 LYS 36 -8.870 3.329 -8.357 133 HE2 LYS 36 HE2 LYS 36 -8.000 3.546 -10.618 134 HE3 LYS 36 HE3 LYS 36 -7.096 2.287 -9.779 135 HZ1 LYS 36 HZ1 LYS 36 -8.346 0.626 -10.930 136 HZ2 LYS 36 HZ2 LYS 36 -7.733 1.714 -12.070 137 HZ3 LYS 36 HZ3 LYS 36 -9.360 1.784 -11.629 138 H GLU 37 H GLU 37 -7.610 0.893 -4.555 139 HA GLU 37 HA GLU 37 -10.419 1.080 -3.767 140 HB2 GLU 37 HB2 GLU 37 -9.749 -0.943 -2.550 141 HB3 GLU 37 HB3 GLU 37 -8.290 -0.158 -1.956 142 HG2 GLU 37 HG2 GLU 37 -9.926 -0.309 -0.168 143 HG3 GLU 37 HG3 GLU 37 -9.668 1.379 -0.582 144 H GLU 38 H GLU 38 -10.853 2.990 -2.808 145 HA GLU 38 HA GLU 38 -8.672 4.912 -2.357 146 HB2 GLU 38 HB2 GLU 38 -10.467 5.590 -3.908 147 HB3 GLU 38 HB3 GLU 38 -11.679 5.321 -2.656 148 HG2 GLU 38 HG2 GLU 38 -10.695 7.138 -1.307 149 HG3 GLU 38 HG3 GLU 38 -9.452 7.386 -2.533 150 H PHE 39 H PHE 39 -7.970 4.841 -0.328 151 HA PHE 39 HA PHE 39 -9.665 4.210 1.954 152 HB2 PHE 39 HB2 PHE 39 -6.698 4.914 1.823 153 HB3 PHE 39 HB3 PHE 39 -7.550 4.302 3.245 154 HD1 PHE 39 HD1 PHE 39 -8.439 1.956 3.247 155 HD2 PHE 39 HD2 PHE 39 -5.986 3.418 0.065 156 HE1 PHE 39 HE1 PHE 39 -8.035 -0.354 2.495 157 HE2 PHE 39 HE2 PHE 39 -5.602 1.107 -0.689 158 HZ PHE 39 HZ PHE 39 -6.623 -0.777 0.524 159 H ALA 40 H ALA 40 -9.611 5.660 3.872 160 HA ALA 40 HA ALA 40 -9.372 8.549 3.210 161 HB1 ALA 40 HB1 ALA 40 -11.742 7.908 3.369 162 HB2 ALA 40 HB2 ALA 40 -11.292 8.961 4.710 163 HB3 ALA 40 HB3 ALA 40 -11.470 7.226 4.974 164 H VAL 41 H VAL 41 -7.760 9.388 4.343 165 HA VAL 41 HA VAL 41 -7.096 8.391 7.048 166 HB VAL 41 HB VAL 41 -4.661 8.623 6.521 167 HG11 VAL 41 HG11 VAL 41 -4.421 6.498 5.305 168 HG12 VAL 41 HG12 VAL 41 -6.100 6.594 4.775 169 HG13 VAL 41 HG13 VAL 41 -5.725 6.397 6.490 170 HG21 VAL 41 HG21 VAL 41 -3.889 8.667 4.157 171 HG22 VAL 41 HG22 VAL 41 -4.758 10.142 4.576 172 HG23 VAL 41 HG23 VAL 41 -5.556 8.895 3.617 173 HA PRO 42 HA PRO 42 -7.618 12.682 7.882 174 HB2 PRO 42 HB2 PRO 42 -7.018 12.753 10.506 175 HB3 PRO 42 HB3 PRO 42 -8.365 11.779 9.900 176 HG2 PRO 42 HG2 PRO 42 -5.572 10.884 10.615 177 HG3 PRO 42 HG3 PRO 42 -7.128 10.155 11.069 178 HD2 PRO 42 HD2 PRO 42 -5.597 9.262 8.967 179 HD3 PRO 42 HD3 PRO 42 -7.364 9.083 9.030 180 H GLU 43 H GLU 43 -5.314 12.530 6.406 181 HA GLU 43 HA GLU 43 -3.461 13.550 5.761 182 HB2 GLU 43 HB2 GLU 43 -3.392 16.011 6.062 183 HB3 GLU 43 HB3 GLU 43 -4.979 15.417 5.627 184 HG2 GLU 43 HG2 GLU 43 -5.416 17.098 7.187 185 HG3 GLU 43 HG3 GLU 43 -5.581 15.612 8.113 186 H ASN 44 H ASN 44 -3.277 12.254 8.553 187 HA ASN 44 HA ASN 44 -0.645 13.389 9.263 188 HB2 ASN 44 HB2 ASN 44 -2.393 13.964 10.969 189 HB3 ASN 44 HB3 ASN 44 -2.732 12.250 11.177 190 HD21 ASN 44 HD21 ASN 44 -2.196 12.273 13.371 191 HD22 ASN 44 HD22 ASN 44 -0.571 12.456 13.936 192 H SER 45 H SER 45 -2.726 10.568 8.790 193 HA SER 45 HA SER 45 -1.078 8.513 9.668 194 HB2 SER 45 HB2 SER 45 -2.973 8.514 7.286 195 HB3 SER 45 HB3 SER 45 -2.351 7.074 8.101 196 HG SER 45 HG SER 45 -3.459 7.666 9.948 197 H SER 46 H SER 46 0.916 8.024 9.077 198 HA SER 46 HA SER 46 2.182 8.863 6.627 199 HB2 SER 46 HB2 SER 46 4.148 7.648 7.610 200 HB3 SER 46 HB3 SER 46 3.438 8.800 8.741 201 HG SER 46 HG SER 46 3.457 7.105 10.002 202 H VAL 47 H VAL 47 3.550 7.081 5.443 203 HA VAL 47 HA VAL 47 1.908 5.087 4.290 204 HB VAL 47 HB VAL 47 4.952 5.330 4.365 205 HG11 VAL 47 HG11 VAL 47 4.398 2.993 3.869 206 HG12 VAL 47 HG12 VAL 47 5.000 3.782 2.414 207 HG13 VAL 47 HG13 VAL 47 3.270 3.496 2.604 208 HG21 VAL 47 HG21 VAL 47 2.957 6.100 2.190 209 HG22 VAL 47 HG22 VAL 47 4.711 6.265 2.090 210 HG23 VAL 47 HG23 VAL 47 3.809 7.222 3.262 211 H GLN 48 H GLN 48 3.965 5.121 7.118 212 HA GLN 48 HA GLN 48 4.226 2.418 7.753 213 HB2 GLN 48 HB2 GLN 48 5.486 4.201 8.879 214 HB3 GLN 48 HB3 GLN 48 4.017 4.830 9.593 215 HG2 GLN 48 HG2 GLN 48 3.783 2.858 10.993 216 HG3 GLN 48 HG3 GLN 48 5.141 2.085 10.183 217 HE21 GLN 48 HE21 GLN 48 5.113 5.491 11.170 218 HE22 GLN 48 HE22 GLN 48 6.325 5.320 12.384 219 H GLN 49 H GLN 49 1.487 4.615 8.359 220 HA GLN 49 HA GLN 49 -0.037 2.430 9.647 221 HB2 GLN 49 HB2 GLN 49 -0.092 4.611 10.781 222 HB3 GLN 49 HB3 GLN 49 -0.702 5.385 9.325 223 HG2 GLN 49 HG2 GLN 49 -2.477 5.018 11.015 224 HG3 GLN 49 HG3 GLN 49 -2.815 4.177 9.504 225 HE21 GLN 49 HE21 GLN 49 -4.147 2.609 10.394 226 HE22 GLN 49 HE22 GLN 49 -3.595 1.392 11.485 227 H PHE 50 H PHE 50 0.325 3.966 6.614 228 HA PHE 50 HA PHE 50 -2.380 3.774 5.703 229 HB2 PHE 50 HB2 PHE 50 -0.691 5.464 4.891 230 HB3 PHE 50 HB3 PHE 50 0.118 4.173 4.014 231 HD1 PHE 50 HD1 PHE 50 -3.038 6.122 4.260 232 HD2 PHE 50 HD2 PHE 50 -0.749 3.394 1.910 233 HE1 PHE 50 HE1 PHE 50 -4.571 6.461 2.370 234 HE2 PHE 50 HE2 PHE 50 -2.273 3.740 0.035 235 HZ PHE 50 HZ PHE 50 -4.189 5.268 0.250 236 H LYS 51 H LYS 51 0.561 1.822 5.179 237 HA LYS 51 HA LYS 51 -0.701 -0.006 3.364 238 HB2 LYS 51 HB2 LYS 51 1.332 -1.048 3.108 239 HB3 LYS 51 HB3 LYS 51 1.843 0.547 3.607 240 HG2 LYS 51 HG2 LYS 51 1.805 -1.957 5.318 241 HG3 LYS 51 HG3 LYS 51 3.223 -1.178 4.621 242 HD2 LYS 51 HD2 LYS 51 2.488 0.893 6.040 243 HD3 LYS 51 HD3 LYS 51 1.493 -0.259 6.927 244 HE2 LYS 51 HE2 LYS 51 4.509 -0.292 6.627 245 HE3 LYS 51 HE3 LYS 51 3.598 0.044 8.094 246 HZ1 LYS 51 HZ1 LYS 51 2.774 -2.260 7.982 247 HZ2 LYS 51 HZ2 LYS 51 4.449 -2.157 8.177 248 HZ3 LYS 51 HZ3 LYS 51 3.796 -2.543 6.667 249 H GLU 52 H GLU 52 -0.714 0.273 6.757 250 HA GLU 52 HA GLU 52 -1.482 -2.374 7.508 251 HB2 GLU 52 HB2 GLU 52 -2.277 0.257 8.829 252 HB3 GLU 52 HB3 GLU 52 -2.256 -1.330 9.590 253 HG2 GLU 52 HG2 GLU 52 0.242 -0.040 8.493 254 HG3 GLU 52 HG3 GLU 52 -0.333 0.302 10.123 255 H GLU 53 H GLU 53 -3.262 0.589 6.686 256 HA GLU 53 HA GLU 53 -5.921 -0.357 6.828 257 HB2 GLU 53 HB2 GLU 53 -4.776 1.875 5.082 258 HB3 GLU 53 HB3 GLU 53 -6.488 1.631 5.414 259 HG2 GLU 53 HG2 GLU 53 -4.347 2.390 7.422 260 HG3 GLU 53 HG3 GLU 53 -5.619 3.436 6.788 261 H ILE 54 H ILE 54 -3.543 -0.352 4.252 262 HA ILE 54 HA ILE 54 -5.109 -1.340 2.128 263 HB ILE 54 HB ILE 54 -2.136 -1.446 2.752 264 HG12 ILE 54 HG12 ILE 54 -3.700 0.168 0.670 265 HG13 ILE 54 HG13 ILE 54 -3.104 0.789 2.204 266 HG21 ILE 54 HG21 ILE 54 -1.692 -2.243 0.462 267 HG22 ILE 54 HG22 ILE 54 -3.424 -2.418 0.179 268 HG23 ILE 54 HG23 ILE 54 -2.620 -3.426 1.381 269 HD11 ILE 54 HD11 ILE 54 -0.809 0.448 1.462 270 HD12 ILE 54 HD12 ILE 54 -1.706 1.475 0.346 271 HD13 ILE 54 HD13 ILE 54 -1.391 -0.209 -0.071 272 H SER 55 H SER 55 -3.013 -3.052 4.480 273 HA SER 55 HA SER 55 -3.160 -5.559 3.185 274 HB2 SER 55 HB2 SER 55 -2.015 -6.431 5.223 275 HB3 SER 55 HB3 SER 55 -1.266 -4.960 4.601 276 HG SER 55 HG SER 55 -2.438 -3.803 6.206 277 H LYS 56 H LYS 56 -5.091 -4.133 5.767 278 HA LYS 56 HA LYS 56 -6.486 -6.541 6.490 279 HB2 LYS 56 HB2 LYS 56 -7.972 -5.059 7.802 280 HB3 LYS 56 HB3 LYS 56 -6.276 -4.709 8.105 281 HG2 LYS 56 HG2 LYS 56 -6.394 -2.740 6.641 282 HG3 LYS 56 HG3 LYS 56 -8.088 -3.083 6.287 283 HD2 LYS 56 HD2 LYS 56 -6.989 -2.453 9.062 284 HD3 LYS 56 HD3 LYS 56 -7.763 -1.274 8.002 285 HE2 LYS 56 HE2 LYS 56 -9.863 -2.546 8.088 286 HE3 LYS 56 HE3 LYS 56 -9.103 -3.784 9.088 287 HZ1 LYS 56 HZ1 LYS 56 -9.481 -0.941 9.864 288 HZ2 LYS 56 HZ2 LYS 56 -8.822 -2.157 10.836 289 HZ3 LYS 56 HZ3 LYS 56 -10.448 -2.229 10.381 290 H ARG 57 H ARG 57 -6.931 -4.087 4.059 291 HA ARG 57 HA ARG 57 -9.689 -4.691 3.424 292 HB2 ARG 57 HB2 ARG 57 -8.456 -2.448 3.102 293 HB3 ARG 57 HB3 ARG 57 -7.655 -3.174 1.723 294 HG2 ARG 57 HG2 ARG 57 -10.665 -2.886 1.943 295 HG3 ARG 57 HG3 ARG 57 -9.625 -1.666 1.216 296 HD2 ARG 57 HD2 ARG 57 -8.878 -3.389 -0.452 297 HD3 ARG 57 HD3 ARG 57 -10.069 -4.505 0.234 298 HE ARG 57 HE ARG 57 -11.269 -2.033 -0.469 299 HH11 ARG 57 HH11 ARG 57 -10.276 -5.085 -1.837 300 HH12 ARG 57 HH12 ARG 57 -11.165 -4.860 -3.304 301 HH21 ARG 57 HH21 ARG 57 -12.450 -1.740 -2.376 302 HH22 ARG 57 HH22 ARG 57 -12.423 -2.964 -3.605 303 H PHE 58 H PHE 58 -6.539 -5.253 1.855 304 HA PHE 58 HA PHE 58 -7.605 -6.908 -0.250 305 HB2 PHE 58 HB2 PHE 58 -4.770 -6.143 0.552 306 HB3 PHE 58 HB3 PHE 58 -5.112 -7.228 -0.795 307 HD1 PHE 58 HD1 PHE 58 -5.645 -3.730 0.437 308 HD2 PHE 58 HD2 PHE 58 -5.794 -6.357 -2.930 309 HE1 PHE 58 HE1 PHE 58 -5.995 -1.805 -1.049 310 HE2 PHE 58 HE2 PHE 58 -6.156 -4.435 -4.405 311 HZ PHE 58 HZ PHE 58 -6.258 -2.154 -3.473 312 H LYS 59 H LYS 59 -6.691 -7.484 2.978 313 HA LYS 59 HA LYS 59 -6.494 -9.277 4.316 314 HB2 LYS 59 HB2 LYS 59 -7.521 -10.843 1.924 315 HB3 LYS 59 HB3 LYS 59 -7.295 -11.543 3.517 316 HG2 LYS 59 HG2 LYS 59 -9.101 -9.150 3.181 317 HG3 LYS 59 HG3 LYS 59 -9.682 -10.747 2.725 318 HD2 LYS 59 HD2 LYS 59 -10.443 -10.373 4.963 319 HD3 LYS 59 HD3 LYS 59 -9.123 -11.530 5.077 320 HE2 LYS 59 HE2 LYS 59 -7.606 -9.751 5.838 321 HE3 LYS 59 HE3 LYS 59 -8.891 -8.556 5.661 322 HZ1 LYS 59 HZ1 LYS 59 -8.684 -9.223 7.944 323 HZ2 LYS 59 HZ2 LYS 59 -8.857 -10.853 7.534 324 HZ3 LYS 59 HZ3 LYS 59 -10.161 -9.791 7.340 325 H SER 60 H SER 60 -4.392 -8.416 2.309 326 HA SER 60 HA SER 60 -2.609 -10.743 2.260 327 HB2 SER 60 HB2 SER 60 -1.114 -9.079 0.981 328 HB3 SER 60 HB3 SER 60 -2.631 -9.519 0.196 329 HG SER 60 HG SER 60 -3.008 -7.479 0.133 330 H HIS 61 H HIS 61 -0.185 -9.727 2.626 331 HA HIS 61 HA HIS 61 -0.122 -8.841 5.449 332 HB2 HIS 61 HB2 HIS 61 1.827 -10.553 3.837 333 HB3 HIS 61 HB3 HIS 61 2.123 -10.004 5.485 334 HD1 HIS 61 HD1 HIS 61 0.646 -12.739 3.615 335 HD2 HIS 61 HD2 HIS 61 0.094 -11.052 7.371 336 HE1 HIS 61 HE1 HIS 61 -0.597 -14.452 4.950 337 HE2 HIS 61 HE2 HIS 61 -0.984 -13.389 7.194 338 H THR 62 H THR 62 1.235 -7.132 6.025 339 HA THR 62 HA THR 62 1.835 -5.155 4.081 340 HB THR 62 HB THR 62 3.012 -3.957 5.956 341 HG1 THR 62 HG1 THR 62 3.855 -5.668 7.141 342 HG21 THR 62 HG21 THR 62 0.313 -5.118 6.744 343 HG22 THR 62 HG22 THR 62 0.560 -3.716 5.698 344 HG23 THR 62 HG23 THR 62 1.038 -3.644 7.390 345 H ASP 63 H ASP 63 3.693 -7.769 5.419 346 HA ASP 63 HA ASP 63 6.325 -6.981 4.845 347 HB2 ASP 63 HB2 ASP 63 5.823 -8.834 6.350 348 HB3 ASP 63 HB3 ASP 63 5.053 -9.737 5.054 349 H GLN 64 H GLN 64 3.844 -8.266 2.687 350 HA GLN 64 HA GLN 64 5.849 -8.803 0.577 351 HB2 GLN 64 HB2 GLN 64 4.111 -10.096 -0.553 352 HB3 GLN 64 HB3 GLN 64 4.302 -10.632 1.113 353 HG2 GLN 64 HG2 GLN 64 2.289 -9.192 1.684 354 HG3 GLN 64 HG3 GLN 64 2.055 -8.971 -0.047 355 HE21 GLN 64 HE21 GLN 64 2.870 -11.742 -0.693 356 HE22 GLN 64 HE22 GLN 64 1.559 -12.738 -0.184 357 H LEU 65 H LEU 65 3.846 -6.242 1.468 358 HA LEU 65 HA LEU 65 3.587 -5.352 -1.347 359 HB2 LEU 65 HB2 LEU 65 1.538 -4.111 -0.703 360 HB3 LEU 65 HB3 LEU 65 1.401 -5.847 -0.580 361 HG LEU 65 HG LEU 65 1.840 -5.441 2.004 362 HD11 LEU 65 HD11 LEU 65 0.918 -3.326 2.855 363 HD12 LEU 65 HD12 LEU 65 0.777 -2.713 1.203 364 HD13 LEU 65 HD13 LEU 65 2.366 -3.054 1.890 365 HD21 LEU 65 HD21 LEU 65 -0.233 -6.381 1.090 366 HD22 LEU 65 HD22 LEU 65 -0.827 -4.760 0.715 367 HD23 LEU 65 HD23 LEU 65 -0.583 -5.249 2.395 368 H VAL 66 H VAL 66 4.065 -3.321 -1.896 369 HA VAL 66 HA VAL 66 5.024 -1.356 0.076 370 HB VAL 66 HB VAL 66 6.976 -0.806 -1.553 371 HG11 VAL 66 HG11 VAL 66 7.416 -1.804 0.647 372 HG12 VAL 66 HG12 VAL 66 8.528 -2.446 -0.563 373 HG13 VAL 66 HG13 VAL 66 7.162 -3.418 -0.019 374 HG21 VAL 66 HG21 VAL 66 6.426 -3.640 -2.549 375 HG22 VAL 66 HG22 VAL 66 7.833 -2.659 -2.972 376 HG23 VAL 66 HG23 VAL 66 6.223 -2.157 -3.487 377 H LEU 67 H LEU 67 4.580 0.722 -0.491 378 HA LEU 67 HA LEU 67 2.982 1.288 -2.858 379 HB2 LEU 67 HB2 LEU 67 4.055 3.070 -0.637 380 HB3 LEU 67 HB3 LEU 67 3.095 3.672 -1.983 381 HG LEU 67 HG LEU 67 2.124 1.693 0.128 382 HD11 LEU 67 HD11 LEU 67 1.387 4.606 -0.308 383 HD12 LEU 67 HD12 LEU 67 2.406 3.988 0.993 384 HD13 LEU 67 HD13 LEU 67 0.716 3.521 0.911 385 HD21 LEU 67 HD21 LEU 67 0.614 2.959 -2.196 386 HD22 LEU 67 HD22 LEU 67 -0.112 2.007 -0.902 387 HD23 LEU 67 HD23 LEU 67 1.018 1.251 -2.022 388 H ILE 68 H ILE 68 3.639 2.672 -4.557 389 HA ILE 68 HA ILE 68 6.456 3.522 -4.685 390 HB ILE 68 HB ILE 68 4.955 2.193 -7.010 391 HG12 ILE 68 HG12 ILE 68 7.168 0.709 -6.951 392 HG13 ILE 68 HG13 ILE 68 7.280 1.248 -5.285 393 HG21 ILE 68 HG21 ILE 68 7.024 2.571 -8.359 394 HG22 ILE 68 HG22 ILE 68 7.691 3.528 -7.034 395 HG23 ILE 68 HG23 ILE 68 6.241 4.075 -7.873 396 HD11 ILE 68 HD11 ILE 68 6.241 -0.925 -5.424 397 HD12 ILE 68 HD12 ILE 68 5.008 -0.304 -6.520 398 HD13 ILE 68 HD13 ILE 68 5.066 0.257 -4.848 399 H PHE 69 H PHE 69 6.674 5.551 -5.286 400 HA PHE 69 HA PHE 69 4.837 6.913 -7.072 401 HB2 PHE 69 HB2 PHE 69 3.875 7.346 -4.776 402 HB3 PHE 69 HB3 PHE 69 5.402 8.085 -4.302 403 HD1 PHE 69 HD1 PHE 69 2.387 8.467 -6.448 404 HD2 PHE 69 HD2 PHE 69 5.958 10.371 -5.044 405 HE1 PHE 69 HE1 PHE 69 1.585 10.628 -7.312 406 HE2 PHE 69 HE2 PHE 69 5.139 12.522 -5.909 407 HZ PHE 69 HZ PHE 69 2.958 12.656 -7.044 408 H ALA 70 H ALA 70 5.904 8.425 -8.272 409 HA ALA 70 HA ALA 70 7.577 9.545 -9.296 410 HB1 ALA 70 HB1 ALA 70 9.290 10.689 -7.930 411 HB2 ALA 70 HB2 ALA 70 8.845 9.705 -6.534 412 HB3 ALA 70 HB3 ALA 70 7.689 10.854 -7.203 413 H GLY 71 H GLY 71 7.700 6.536 -8.762 414 HA2 GLY 71 HA2 GLY 71 9.036 4.953 -9.857 415 HA3 GLY 71 HA3 GLY 71 10.390 6.068 -9.852 416 H LYS 72 H LYS 72 9.640 6.481 -6.816 417 HA LYS 72 HA LYS 72 11.410 4.300 -5.913 418 HB2 LYS 72 HB2 LYS 72 12.038 5.766 -4.049 419 HB3 LYS 72 HB3 LYS 72 12.302 6.553 -5.596 420 HG2 LYS 72 HG2 LYS 72 11.380 8.322 -4.457 421 HG3 LYS 72 HG3 LYS 72 9.897 7.611 -5.078 422 HD2 LYS 72 HD2 LYS 72 9.622 8.209 -2.714 423 HD3 LYS 72 HD3 LYS 72 9.552 6.455 -2.905 424 HE2 LYS 72 HE2 LYS 72 11.920 6.299 -2.184 425 HE3 LYS 72 HE3 LYS 72 11.952 8.047 -1.938 426 HZ1 LYS 72 HZ1 LYS 72 11.587 6.841 0.115 427 HZ2 LYS 72 HZ2 LYS 72 10.202 6.122 -0.520 428 HZ3 LYS 72 HZ3 LYS 72 10.241 7.790 -0.255 429 H ILE 73 H ILE 73 10.928 3.050 -4.187 430 HA ILE 73 HA ILE 73 8.212 2.620 -3.435 431 HB ILE 73 HB ILE 73 8.967 0.890 -1.889 432 HG12 ILE 73 HG12 ILE 73 11.018 2.010 -0.931 433 HG13 ILE 73 HG13 ILE 73 11.312 0.344 -1.400 434 HG21 ILE 73 HG21 ILE 73 10.489 0.777 -4.508 435 HG22 ILE 73 HG22 ILE 73 8.824 0.265 -4.233 436 HG23 ILE 73 HG23 ILE 73 10.153 -0.610 -3.470 437 HD11 ILE 73 HD11 ILE 73 12.170 2.797 -2.935 438 HD12 ILE 73 HD12 ILE 73 12.459 1.127 -3.428 439 HD13 ILE 73 HD13 ILE 73 13.198 1.753 -1.957 440 H LEU 74 H LEU 74 7.067 3.395 -1.765 441 HA LEU 74 HA LEU 74 8.171 5.398 0.029 442 HB2 LEU 74 HB2 LEU 74 5.320 4.332 -0.050 443 HB3 LEU 74 HB3 LEU 74 5.880 5.824 0.684 444 HG LEU 74 HG LEU 74 5.657 5.234 -2.295 445 HD11 LEU 74 HD11 LEU 74 3.987 7.047 -2.299 446 HD12 LEU 74 HD12 LEU 74 4.170 7.227 -0.553 447 HD13 LEU 74 HD13 LEU 74 3.510 5.734 -1.222 448 HD21 LEU 74 HD21 LEU 74 6.757 7.734 -0.965 449 HD22 LEU 74 HD22 LEU 74 6.399 7.560 -2.685 450 HD23 LEU 74 HD23 LEU 74 7.665 6.581 -1.949 451 H LYS 75 H LYS 75 9.187 4.674 1.783 452 HA LYS 75 HA LYS 75 8.530 2.143 3.101 453 HB2 LYS 75 HB2 LYS 75 10.721 4.194 3.658 454 HB3 LYS 75 HB3 LYS 75 10.589 2.616 4.425 455 HG2 LYS 75 HG2 LYS 75 11.054 3.089 1.458 456 HG3 LYS 75 HG3 LYS 75 12.303 2.664 2.627 457 HD2 LYS 75 HD2 LYS 75 9.898 0.918 1.962 458 HD3 LYS 75 HD3 LYS 75 11.503 0.720 1.254 459 HE2 LYS 75 HE2 LYS 75 12.449 0.230 3.455 460 HE3 LYS 75 HE3 LYS 75 10.891 0.533 4.224 461 HZ1 LYS 75 HZ1 LYS 75 11.248 -1.813 3.970 462 HZ2 LYS 75 HZ2 LYS 75 11.504 -1.648 2.309 463 HZ3 LYS 75 HZ3 LYS 75 9.980 -1.334 2.962 464 H ASP 76 H ASP 76 8.907 2.502 5.712 465 HA ASP 76 HA ASP 76 6.484 3.762 6.567 466 HB2 ASP 76 HB2 ASP 76 6.901 2.872 8.729 467 HB3 ASP 76 HB3 ASP 76 7.487 1.667 7.602 468 H GLN 77 H GLN 77 9.784 4.769 6.408 469 HA GLN 77 HA GLN 77 9.661 7.002 8.205 470 HB2 GLN 77 HB2 GLN 77 11.795 7.696 7.108 471 HB3 GLN 77 HB3 GLN 77 11.821 6.025 7.665 472 HG2 GLN 77 HG2 GLN 77 11.544 5.194 5.404 473 HG3 GLN 77 HG3 GLN 77 11.260 6.821 4.787 474 HE21 GLN 77 HE21 GLN 77 13.022 8.213 4.504 475 HE22 GLN 77 HE22 GLN 77 14.657 7.651 4.528 476 H ASP 78 H ASP 78 8.477 6.459 5.056 477 HA ASP 78 HA ASP 78 8.323 9.282 4.276 478 HB2 ASP 78 HB2 ASP 78 7.422 6.746 2.827 479 HB3 ASP 78 HB3 ASP 78 7.348 8.369 2.149 480 H THR 79 H THR 79 6.346 10.391 4.104 481 HA THR 79 HA THR 79 3.843 8.950 4.806 482 HB THR 79 HB THR 79 2.853 10.929 5.682 483 HG1 THR 79 HG1 THR 79 3.927 13.006 5.496 484 HG21 THR 79 HG21 THR 79 4.355 11.797 7.426 485 HG22 THR 79 HG22 THR 79 5.748 11.112 6.587 486 HG23 THR 79 HG23 THR 79 4.522 10.048 7.272 487 H LEU 80 H LEU 80 2.167 9.168 3.355 488 HA LEU 80 HA LEU 80 2.659 9.549 0.650 489 HB2 LEU 80 HB2 LEU 80 0.118 9.721 0.440 490 HB3 LEU 80 HB3 LEU 80 0.757 8.275 1.186 491 HG LEU 80 HG LEU 80 0.041 10.379 3.173 492 HD11 LEU 80 HD11 LEU 80 -2.205 9.169 1.556 493 HD12 LEU 80 HD12 LEU 80 -1.736 10.869 1.588 494 HD13 LEU 80 HD13 LEU 80 -2.378 10.110 3.043 495 HD21 LEU 80 HD21 LEU 80 -0.734 7.454 2.954 496 HD22 LEU 80 HD22 LEU 80 -0.997 8.502 4.353 497 HD23 LEU 80 HD23 LEU 80 0.643 8.107 3.849 498 H SER 81 H SER 81 1.372 11.907 2.999 499 HA SER 81 HA SER 81 0.627 13.886 1.102 500 HB2 SER 81 HB2 SER 81 -0.410 13.685 3.345 501 HB3 SER 81 HB3 SER 81 1.104 14.197 4.089 502 HG SER 81 HG SER 81 0.346 16.137 3.842 503 H GLN 82 H GLN 82 3.671 13.330 2.871 504 HA GLN 82 HA GLN 82 4.923 15.806 2.124 505 HB2 GLN 82 HB2 GLN 82 6.108 13.131 2.959 506 HB3 GLN 82 HB3 GLN 82 7.107 14.529 2.579 507 HG2 GLN 82 HG2 GLN 82 5.053 14.385 4.807 508 HG3 GLN 82 HG3 GLN 82 6.797 14.245 5.002 509 HE21 GLN 82 HE21 GLN 82 4.924 16.185 6.181 510 HE22 GLN 82 HE22 GLN 82 5.515 17.744 5.726 511 H HIS 83 H HIS 83 4.317 12.834 0.425 512 HA HIS 83 HA HIS 83 6.069 13.515 -1.833 513 HB2 HIS 83 HB2 HIS 83 4.240 11.127 -1.294 514 HB3 HIS 83 HB3 HIS 83 5.079 11.362 -2.827 515 HD1 HIS 83 HD1 HIS 83 7.615 10.944 -2.872 516 HD2 HIS 83 HD2 HIS 83 5.928 10.381 0.870 517 HE1 HIS 83 HE1 HIS 83 9.390 9.856 -1.487 518 HE2 HIS 83 HE2 HIS 83 8.432 9.817 0.826 519 H GLY 84 H GLY 84 3.286 14.776 -0.829 520 HA2 GLY 84 HA2 GLY 84 1.847 16.235 -1.883 521 HA3 GLY 84 HA3 GLY 84 2.539 15.781 -3.431 522 H ILE 85 H ILE 85 1.447 13.208 -1.440 523 HA ILE 85 HA ILE 85 -0.801 12.658 -3.260 524 HB ILE 85 HB ILE 85 0.379 10.841 -1.107 525 HG12 ILE 85 HG12 ILE 85 0.974 10.674 -4.105 526 HG13 ILE 85 HG13 ILE 85 2.055 11.453 -2.953 527 HG21 ILE 85 HG21 ILE 85 -1.401 10.180 -3.489 528 HG22 ILE 85 HG22 ILE 85 -1.949 10.314 -1.815 529 HG23 ILE 85 HG23 ILE 85 -0.814 9.048 -2.270 530 HD11 ILE 85 HD11 ILE 85 1.242 8.549 -2.926 531 HD12 ILE 85 HD12 ILE 85 2.317 9.337 -1.764 532 HD13 ILE 85 HD13 ILE 85 2.786 9.213 -3.457 533 H HIS 86 H HIS 86 -2.839 12.898 -2.582 534 HA HIS 86 HA HIS 86 -3.705 12.752 0.153 535 HB2 HIS 86 HB2 HIS 86 -4.592 15.140 0.193 536 HB3 HIS 86 HB3 HIS 86 -2.846 15.008 0.304 537 HD1 HIS 86 HD1 HIS 86 -5.571 16.236 -1.956 538 HD2 HIS 86 HD2 HIS 86 -1.420 16.110 -1.844 539 HE1 HIS 86 HE1 HIS 86 -4.798 17.804 -3.748 540 HE2 HIS 86 HE2 HIS 86 -2.296 17.535 -3.802 541 H ASP 87 H ASP 87 -6.124 14.275 -0.289 542 HA ASP 87 HA ASP 87 -7.817 12.453 -1.480 543 HB2 ASP 87 HB2 ASP 87 -9.535 14.229 -1.435 544 HB3 ASP 87 HB3 ASP 87 -8.616 14.163 0.064 545 H GLY 88 H GLY 88 -8.181 11.861 -3.521 546 HA2 GLY 88 HA2 GLY 88 -8.831 12.205 -5.757 547 HA3 GLY 88 HA3 GLY 88 -8.069 13.781 -5.744 548 H LEU 89 H LEU 89 -5.737 11.981 -4.402 549 HA LEU 89 HA LEU 89 -4.372 11.523 -6.975 550 HB2 LEU 89 HB2 LEU 89 -3.330 11.763 -4.127 551 HB3 LEU 89 HB3 LEU 89 -2.311 11.225 -5.451 552 HG LEU 89 HG LEU 89 -1.854 13.565 -5.006 553 HD11 LEU 89 HD11 LEU 89 -2.241 14.576 -7.205 554 HD12 LEU 89 HD12 LEU 89 -3.423 13.325 -7.592 555 HD13 LEU 89 HD13 LEU 89 -1.728 12.897 -7.352 556 HD21 LEU 89 HD21 LEU 89 -4.795 14.132 -5.464 557 HD22 LEU 89 HD22 LEU 89 -3.532 15.336 -5.196 558 HD23 LEU 89 HD23 LEU 89 -3.945 14.198 -3.917 559 H THR 90 H THR 90 -3.138 9.580 -7.314 560 HA THR 90 HA THR 90 -4.101 7.195 -5.850 561 HB THR 90 HB THR 90 -3.537 7.330 -8.847 562 HG1 THR 90 HG1 THR 90 -5.478 8.450 -8.090 563 HG21 THR 90 HG21 THR 90 -3.149 5.071 -7.904 564 HG22 THR 90 HG22 THR 90 -4.599 5.084 -8.908 565 HG23 THR 90 HG23 THR 90 -4.748 5.101 -7.151 566 H VAL 91 H VAL 91 -2.510 6.049 -4.957 567 HA VAL 91 HA VAL 91 0.302 6.360 -5.783 568 HB VAL 91 HB VAL 91 -0.592 4.504 -3.528 569 HG11 VAL 91 HG11 VAL 91 1.884 6.241 -3.863 570 HG12 VAL 91 HG12 VAL 91 1.784 4.505 -4.162 571 HG13 VAL 91 HG13 VAL 91 1.573 5.128 -2.526 572 HG21 VAL 91 HG21 VAL 91 -1.824 6.563 -3.068 573 HG22 VAL 91 HG22 VAL 91 -0.336 7.503 -3.189 574 HG23 VAL 91 HG23 VAL 91 -0.532 6.327 -1.888 575 H HIS 92 H HIS 92 1.544 4.519 -6.419 576 HA HIS 92 HA HIS 92 0.081 2.192 -7.429 577 HB2 HIS 92 HB2 HIS 92 2.996 3.047 -7.591 578 HB3 HIS 92 HB3 HIS 92 2.480 1.433 -8.076 579 HD1 HIS 92 HD1 HIS 92 1.386 1.185 -10.326 580 HD2 HIS 92 HD2 HIS 92 1.956 5.150 -9.255 581 HE1 HIS 92 HE1 HIS 92 0.840 2.518 -12.378 582 HE2 HIS 92 HE2 HIS 92 1.075 4.921 -11.666 583 H LEU 93 H LEU 93 0.401 0.097 -6.682 584 HA LEU 93 HA LEU 93 1.970 -0.385 -4.243 585 HB2 LEU 93 HB2 LEU 93 -0.274 0.186 -3.437 586 HB3 LEU 93 HB3 LEU 93 -1.002 -0.950 -4.560 587 HG LEU 93 HG LEU 93 0.147 -2.832 -3.286 588 HD11 LEU 93 HD11 LEU 93 1.935 -1.559 -2.205 589 HD12 LEU 93 HD12 LEU 93 0.961 -2.414 -1.017 590 HD13 LEU 93 HD13 LEU 93 0.749 -0.676 -1.245 591 HD21 LEU 93 HD21 LEU 93 -1.430 -2.822 -1.421 592 HD22 LEU 93 HD22 LEU 93 -2.188 -2.359 -2.932 593 HD23 LEU 93 HD23 LEU 93 -1.801 -1.124 -1.734 594 H VAL 94 H VAL 94 3.155 -2.130 -4.660 595 HA VAL 94 HA VAL 94 2.054 -4.271 -6.394 596 HB VAL 94 HB VAL 94 4.976 -3.816 -5.581 597 HG11 VAL 94 HG11 VAL 94 4.488 -6.188 -6.007 598 HG12 VAL 94 HG12 VAL 94 5.501 -5.531 -7.289 599 HG13 VAL 94 HG13 VAL 94 3.778 -5.788 -7.573 600 HG21 VAL 94 HG21 VAL 94 4.226 -2.036 -7.103 601 HG22 VAL 94 HG22 VAL 94 3.627 -3.235 -8.251 602 HG23 VAL 94 HG23 VAL 94 5.357 -3.116 -7.923 603 H ILE 95 H ILE 95 0.998 -5.624 -5.112 604 HA ILE 95 HA ILE 95 2.146 -6.566 -2.569 605 HB ILE 95 HB ILE 95 -0.464 -7.522 -3.851 606 HG12 ILE 95 HG12 ILE 95 -0.137 -5.121 -1.977 607 HG13 ILE 95 HG13 ILE 95 -0.633 -5.050 -3.662 608 HG21 ILE 95 HG21 ILE 95 -1.060 -8.138 -1.543 609 HG22 ILE 95 HG22 ILE 95 0.449 -7.448 -0.941 610 HG23 ILE 95 HG23 ILE 95 0.483 -8.872 -1.983 611 HD11 ILE 95 HD11 ILE 95 -2.528 -4.770 -2.245 612 HD12 ILE 95 HD12 ILE 95 -2.165 -6.260 -1.378 613 HD13 ILE 95 HD13 ILE 95 -2.663 -6.323 -3.071 614 H LYS 96 H LYS 96 3.278 -8.482 -2.542 615 HA LYS 96 HA LYS 96 3.621 -9.984 -5.018 616 HB2 LYS 96 HB2 LYS 96 5.567 -9.390 -3.518 617 HB3 LYS 96 HB3 LYS 96 4.913 -10.473 -2.294 618 HG2 LYS 96 HG2 LYS 96 6.711 -11.590 -3.515 619 HG3 LYS 96 HG3 LYS 96 5.169 -12.384 -3.842 620 HD2 LYS 96 HD2 LYS 96 5.043 -11.005 -5.997 621 HD3 LYS 96 HD3 LYS 96 6.709 -10.513 -5.684 622 HE2 LYS 96 HE2 LYS 96 5.723 -13.352 -6.095 623 HE3 LYS 96 HE3 LYS 96 6.618 -12.391 -7.269 624 HZ1 LYS 96 HZ1 LYS 96 8.505 -12.388 -5.782 625 HZ2 LYS 96 HZ2 LYS 96 8.024 -13.970 -6.103 626 HZ3 LYS 96 HZ3 LYS 96 7.643 -13.258 -4.621 627 H THR 97 H THR 97 1.145 -10.335 -4.674 628 HA THR 97 HA THR 97 0.707 -13.013 -3.467 629 HB THR 97 HB THR 97 -1.775 -12.297 -3.583 630 HG1 THR 97 HG1 THR 97 -1.693 -9.770 -3.383 631 HG21 THR 97 HG21 THR 97 0.024 -10.737 -1.703 632 HG22 THR 97 HG22 THR 97 -0.622 -12.356 -1.418 633 HG23 THR 97 HG23 THR 97 -1.712 -10.967 -1.503 634 H GLN 98 H GLN 98 -0.216 -14.588 -4.772 635 HA GLN 98 HA GLN 98 -1.525 -13.819 -7.289 636 HB2 GLN 98 HB2 GLN 98 -0.440 -15.623 -8.580 637 HB3 GLN 98 HB3 GLN 98 0.727 -14.432 -8.020 638 HG2 GLN 98 HG2 GLN 98 1.484 -15.942 -6.260 639 HG3 GLN 98 HG3 GLN 98 0.265 -17.133 -6.722 640 HE21 GLN 98 HE21 GLN 98 3.205 -17.346 -6.662 641 HE22 GLN 98 HE22 GLN 98 3.677 -17.806 -8.260 642 H ASN 99 H ASN 99 -1.867 -15.130 -4.413 643 HA ASN 99 HA ASN 99 -3.781 -17.242 -5.247 644 HB2 ASN 99 HB2 ASN 99 -2.631 -16.713 -2.467 645 HB3 ASN 99 HB3 ASN 99 -3.655 -18.073 -2.939 646 HD21 ASN 99 HD21 ASN 99 -2.702 -19.786 -4.125 647 HD22 ASN 99 HD22 ASN 99 -0.991 -19.962 -4.277 648 H ARG 100 H ARG 100 -3.357 -14.242 -3.454 649 HA ARG 100 HA ARG 100 -6.278 -13.811 -3.324 650 HB2 ARG 100 HB2 ARG 100 -6.089 -12.886 -1.069 651 HB3 ARG 100 HB3 ARG 100 -5.436 -14.520 -1.069 652 HG2 ARG 100 HG2 ARG 100 -3.136 -13.566 -1.168 653 HG3 ARG 100 HG3 ARG 100 -3.826 -11.943 -1.084 654 HD2 ARG 100 HD2 ARG 100 -3.067 -12.609 1.126 655 HD3 ARG 100 HD3 ARG 100 -4.835 -12.531 1.129 656 HE ARG 100 HE ARG 100 -4.134 -15.144 0.494 657 HH11 ARG 100 HH11 ARG 100 -3.817 -13.036 3.289 658 HH12 ARG 100 HH12 ARG 100 -3.780 -14.353 4.416 659 HH21 ARG 100 HH21 ARG 100 -4.074 -16.834 1.968 660 HH22 ARG 100 HH22 ARG 100 -3.913 -16.507 3.662 661 HA PRO 101 HA PRO 101 -5.427 -9.413 -4.557 662 HB2 PRO 101 HB2 PRO 101 -6.812 -8.761 -1.949 663 HB3 PRO 101 HB3 PRO 101 -6.998 -8.005 -3.543 664 HG2 PRO 101 HG2 PRO 101 -8.820 -9.738 -2.709 665 HG3 PRO 101 HG3 PRO 101 -8.246 -9.804 -4.392 666 HD2 PRO 101 HD2 PRO 101 -7.533 -11.598 -2.076 667 HD3 PRO 101 HD3 PRO 101 -7.791 -12.016 -3.784 Start of MODEL 14 1 HA PRO 23 HA PRO 23 -12.538 19.828 7.413 2 HB2 PRO 23 HB2 PRO 23 -10.085 18.432 6.676 3 HB3 PRO 23 HB3 PRO 23 -10.435 20.165 6.560 4 HG2 PRO 23 HG2 PRO 23 -8.638 19.066 8.365 5 HG3 PRO 23 HG3 PRO 23 -9.452 20.627 8.590 6 HD2 PRO 23 HD2 PRO 23 -10.179 17.928 9.755 7 HD3 PRO 23 HD3 PRO 23 -10.138 19.519 10.545 8 H LYS 24 H LYS 24 -12.527 18.244 5.478 9 HA LYS 24 HA LYS 24 -13.639 15.674 6.146 10 HB2 LYS 24 HB2 LYS 24 -14.336 16.911 4.086 11 HB3 LYS 24 HB3 LYS 24 -12.710 16.749 3.441 12 HG2 LYS 24 HG2 LYS 24 -13.097 14.169 3.645 13 HG3 LYS 24 HG3 LYS 24 -14.796 14.583 3.849 14 HD2 LYS 24 HD2 LYS 24 -14.296 13.992 1.512 15 HD3 LYS 24 HD3 LYS 24 -14.811 15.684 1.641 16 HE2 LYS 24 HE2 LYS 24 -12.436 16.399 1.554 17 HE3 LYS 24 HE3 LYS 24 -11.939 14.712 1.399 18 HZ1 LYS 24 HZ1 LYS 24 -13.058 14.569 -0.688 19 HZ2 LYS 24 HZ2 LYS 24 -12.035 15.913 -0.726 20 HZ3 LYS 24 HZ3 LYS 24 -13.700 16.122 -0.522 21 H ILE 25 H ILE 25 -12.691 13.630 5.670 22 HA ILE 25 HA ILE 25 -9.814 13.463 6.107 23 HB ILE 25 HB ILE 25 -11.714 12.068 7.233 24 HG12 ILE 25 HG12 ILE 25 -9.317 10.528 6.164 25 HG13 ILE 25 HG13 ILE 25 -9.233 11.689 7.484 26 HG21 ILE 25 HG21 ILE 25 -11.415 10.391 4.715 27 HG22 ILE 25 HG22 ILE 25 -12.848 11.323 5.168 28 HG23 ILE 25 HG23 ILE 25 -12.332 9.959 6.159 29 HD11 ILE 25 HD11 ILE 25 -9.286 9.446 8.318 30 HD12 ILE 25 HD12 ILE 25 -10.798 9.119 7.472 31 HD13 ILE 25 HD13 ILE 25 -10.757 10.295 8.792 32 H MET 26 H MET 26 -8.373 12.259 4.662 33 HA MET 26 HA MET 26 -8.980 12.842 1.875 34 HB2 MET 26 HB2 MET 26 -6.445 11.827 3.220 35 HB3 MET 26 HB3 MET 26 -6.595 12.035 1.472 36 HG2 MET 26 HG2 MET 26 -6.839 14.196 3.565 37 HG3 MET 26 HG3 MET 26 -5.516 13.966 2.421 38 HE1 MET 26 HE1 MET 26 -7.202 16.704 2.889 39 HE2 MET 26 HE2 MET 26 -7.451 17.264 1.239 40 HE3 MET 26 HE3 MET 26 -5.872 16.653 1.725 41 H LYS 27 H LYS 27 -9.919 11.484 0.585 42 HA LYS 27 HA LYS 27 -10.178 8.653 1.229 43 HB2 LYS 27 HB2 LYS 27 -11.344 10.130 -1.169 44 HB3 LYS 27 HB3 LYS 27 -11.897 8.616 -0.462 45 HG2 LYS 27 HG2 LYS 27 -12.136 11.388 0.748 46 HG3 LYS 27 HG3 LYS 27 -13.448 10.390 0.127 47 HD2 LYS 27 HD2 LYS 27 -11.765 9.810 2.600 48 HD3 LYS 27 HD3 LYS 27 -13.431 10.390 2.580 49 HE2 LYS 27 HE2 LYS 27 -12.483 7.694 1.537 50 HE3 LYS 27 HE3 LYS 27 -13.337 7.969 3.055 51 HZ1 LYS 27 HZ1 LYS 27 -14.410 8.510 0.342 52 HZ2 LYS 27 HZ2 LYS 27 -15.238 8.757 1.794 53 HZ3 LYS 27 HZ3 LYS 27 -14.811 7.193 1.316 54 H VAL 28 H VAL 28 -8.156 7.758 0.823 55 HA VAL 28 HA VAL 28 -6.757 8.397 -1.678 56 HB VAL 28 HB VAL 28 -5.792 6.769 0.719 57 HG11 VAL 28 HG11 VAL 28 -3.539 7.120 -0.236 58 HG12 VAL 28 HG12 VAL 28 -4.254 7.910 -1.642 59 HG13 VAL 28 HG13 VAL 28 -4.576 6.205 -1.327 60 HG21 VAL 28 HG21 VAL 28 -6.291 9.078 1.369 61 HG22 VAL 28 HG22 VAL 28 -5.303 9.698 0.039 62 HG23 VAL 28 HG23 VAL 28 -4.548 8.803 1.362 63 H THR 29 H THR 29 -7.091 7.168 -3.362 64 HA THR 29 HA THR 29 -8.114 4.452 -3.201 65 HB THR 29 HB THR 29 -7.336 6.099 -5.659 66 HG1 THR 29 HG1 THR 29 -9.024 6.954 -4.118 67 HG21 THR 29 HG21 THR 29 -9.211 3.720 -5.352 68 HG22 THR 29 HG22 THR 29 -7.626 3.682 -6.126 69 HG23 THR 29 HG23 THR 29 -8.929 4.628 -6.843 70 H VAL 30 H VAL 30 -6.918 2.633 -3.666 71 HA VAL 30 HA VAL 30 -4.032 2.913 -4.290 72 HB VAL 30 HB VAL 30 -5.398 0.988 -2.336 73 HG11 VAL 30 HG11 VAL 30 -3.137 0.039 -1.894 74 HG12 VAL 30 HG12 VAL 30 -2.479 0.990 -3.234 75 HG13 VAL 30 HG13 VAL 30 -3.680 -0.265 -3.543 76 HG21 VAL 30 HG21 VAL 30 -3.923 2.038 -0.651 77 HG22 VAL 30 HG22 VAL 30 -4.960 3.230 -1.425 78 HG23 VAL 30 HG23 VAL 30 -3.260 3.120 -1.883 79 H LYS 31 H LYS 31 -3.418 1.846 -6.044 80 HA LYS 31 HA LYS 31 -5.319 0.116 -7.480 81 HB2 LYS 31 HB2 LYS 31 -4.393 2.155 -8.594 82 HB3 LYS 31 HB3 LYS 31 -2.767 1.521 -8.428 83 HG2 LYS 31 HG2 LYS 31 -4.873 0.022 -10.007 84 HG3 LYS 31 HG3 LYS 31 -3.990 1.366 -10.724 85 HD2 LYS 31 HD2 LYS 31 -1.848 0.174 -10.327 86 HD3 LYS 31 HD3 LYS 31 -2.735 -1.177 -9.613 87 HE2 LYS 31 HE2 LYS 31 -2.998 -0.206 -12.473 88 HE3 LYS 31 HE3 LYS 31 -2.080 -1.618 -11.957 89 HZ1 LYS 31 HZ1 LYS 31 -4.159 -2.596 -11.162 90 HZ2 LYS 31 HZ2 LYS 31 -4.211 -2.261 -12.812 91 HZ3 LYS 31 HZ3 LYS 31 -5.014 -1.255 -11.723 92 H THR 32 H THR 32 -4.973 -2.002 -7.515 93 HA THR 32 HA THR 32 -2.218 -3.102 -7.369 94 HB THR 32 HB THR 32 -3.151 -5.151 -6.367 95 HG1 THR 32 HG1 THR 32 -5.682 -3.924 -6.068 96 HG21 THR 32 HG21 THR 32 -4.135 -2.702 -4.867 97 HG22 THR 32 HG22 THR 32 -2.516 -3.396 -4.770 98 HG23 THR 32 HG23 THR 32 -3.901 -4.310 -4.169 99 HA PRO 33 HA PRO 33 -3.046 -4.931 -11.418 100 HB2 PRO 33 HB2 PRO 33 -2.161 -7.541 -11.097 101 HB3 PRO 33 HB3 PRO 33 -1.091 -6.153 -11.338 102 HG2 PRO 33 HG2 PRO 33 -1.934 -7.435 -8.736 103 HG3 PRO 33 HG3 PRO 33 -0.294 -7.017 -9.290 104 HD2 PRO 33 HD2 PRO 33 -1.561 -5.388 -7.615 105 HD3 PRO 33 HD3 PRO 33 -0.660 -4.696 -8.985 106 H LYS 34 H LYS 34 -4.524 -6.185 -8.568 107 HA LYS 34 HA LYS 34 -6.519 -7.791 -9.944 108 HB2 LYS 34 HB2 LYS 34 -6.007 -7.067 -7.038 109 HB3 LYS 34 HB3 LYS 34 -7.562 -7.737 -7.514 110 HG2 LYS 34 HG2 LYS 34 -6.208 -9.519 -6.688 111 HG3 LYS 34 HG3 LYS 34 -6.401 -9.726 -8.427 112 HD2 LYS 34 HD2 LYS 34 -4.123 -8.769 -8.763 113 HD3 LYS 34 HD3 LYS 34 -3.942 -8.642 -7.010 114 HE2 LYS 34 HE2 LYS 34 -4.155 -11.085 -6.788 115 HE3 LYS 34 HE3 LYS 34 -4.413 -11.243 -8.525 116 HZ1 LYS 34 HZ1 LYS 34 -1.938 -10.292 -7.200 117 HZ2 LYS 34 HZ2 LYS 34 -2.172 -10.367 -8.871 118 HZ3 LYS 34 HZ3 LYS 34 -2.161 -11.786 -7.955 119 H GLU 35 H GLU 35 -6.655 -4.866 -7.862 120 HA GLU 35 HA GLU 35 -8.750 -3.603 -9.400 121 HB2 GLU 35 HB2 GLU 35 -10.499 -3.727 -7.630 122 HB3 GLU 35 HB3 GLU 35 -10.094 -5.326 -8.254 123 HG2 GLU 35 HG2 GLU 35 -8.706 -5.789 -6.270 124 HG3 GLU 35 HG3 GLU 35 -9.028 -4.161 -5.649 125 H LYS 36 H LYS 36 -9.733 -1.736 -7.904 126 HA LYS 36 HA LYS 36 -7.557 -0.566 -6.262 127 HB2 LYS 36 HB2 LYS 36 -8.295 1.683 -6.981 128 HB3 LYS 36 HB3 LYS 36 -7.741 0.704 -8.334 129 HG2 LYS 36 HG2 LYS 36 -10.053 0.314 -9.055 130 HG3 LYS 36 HG3 LYS 36 -10.661 1.159 -7.629 131 HD2 LYS 36 HD2 LYS 36 -10.800 2.656 -9.538 132 HD3 LYS 36 HD3 LYS 36 -9.572 3.258 -8.428 133 HE2 LYS 36 HE2 LYS 36 -8.746 3.491 -10.682 134 HE3 LYS 36 HE3 LYS 36 -7.820 2.211 -9.894 135 HZ1 LYS 36 HZ1 LYS 36 -10.108 1.787 -11.758 136 HZ2 LYS 36 HZ2 LYS 36 -9.186 0.571 -11.033 137 HZ3 LYS 36 HZ3 LYS 36 -8.473 1.614 -12.152 138 H GLU 37 H GLU 37 -8.065 0.033 -4.252 139 HA GLU 37 HA GLU 37 -10.917 0.160 -3.388 140 HB2 GLU 37 HB2 GLU 37 -8.554 -1.048 -1.886 141 HB3 GLU 37 HB3 GLU 37 -10.108 -0.711 -1.131 142 HG2 GLU 37 HG2 GLU 37 -9.792 -2.558 -3.517 143 HG3 GLU 37 HG3 GLU 37 -9.713 -3.115 -1.846 144 H GLU 38 H GLU 38 -11.421 1.681 -1.789 145 HA GLU 38 HA GLU 38 -9.598 4.007 -1.735 146 HB2 GLU 38 HB2 GLU 38 -11.778 4.393 -2.801 147 HB3 GLU 38 HB3 GLU 38 -12.623 3.805 -1.376 148 HG2 GLU 38 HG2 GLU 38 -11.575 5.745 -0.090 149 HG3 GLU 38 HG3 GLU 38 -11.016 6.364 -1.643 150 H PHE 39 H PHE 39 -8.936 4.816 0.160 151 HA PHE 39 HA PHE 39 -9.803 3.603 2.712 152 HB2 PHE 39 HB2 PHE 39 -7.014 4.599 1.934 153 HB3 PHE 39 HB3 PHE 39 -7.473 4.023 3.539 154 HD1 PHE 39 HD1 PHE 39 -6.746 3.026 0.070 155 HD2 PHE 39 HD2 PHE 39 -7.877 1.629 3.954 156 HE1 PHE 39 HE1 PHE 39 -6.288 0.706 -0.620 157 HE2 PHE 39 HE2 PHE 39 -7.406 -0.679 3.259 158 HZ PHE 39 HZ PHE 39 -6.612 -1.144 0.968 159 H ALA 40 H ALA 40 -9.459 5.101 4.586 160 HA ALA 40 HA ALA 40 -9.739 7.971 3.867 161 HB1 ALA 40 HB1 ALA 40 -11.416 8.176 5.671 162 HB2 ALA 40 HB2 ALA 40 -11.320 6.438 5.960 163 HB3 ALA 40 HB3 ALA 40 -11.940 7.043 4.425 164 H VAL 41 H VAL 41 -7.951 8.934 4.614 165 HA VAL 41 HA VAL 41 -6.846 8.199 7.260 166 HB VAL 41 HB VAL 41 -4.520 8.404 6.404 167 HG11 VAL 41 HG11 VAL 41 -6.130 6.304 4.910 168 HG12 VAL 41 HG12 VAL 41 -5.513 6.163 6.557 169 HG13 VAL 41 HG13 VAL 41 -4.389 6.257 5.202 170 HG21 VAL 41 HG21 VAL 41 -4.041 8.387 3.969 171 HG22 VAL 41 HG22 VAL 41 -4.871 9.865 4.462 172 HG23 VAL 41 HG23 VAL 41 -5.766 8.590 3.635 173 HA PRO 42 HA PRO 42 -7.216 12.612 7.808 174 HB2 PRO 42 HB2 PRO 42 -6.110 12.902 10.246 175 HB3 PRO 42 HB3 PRO 42 -7.523 11.863 10.014 176 HG2 PRO 42 HG2 PRO 42 -4.611 11.061 10.173 177 HG3 PRO 42 HG3 PRO 42 -5.998 10.388 11.062 178 HD2 PRO 42 HD2 PRO 42 -4.995 9.253 8.772 179 HD3 PRO 42 HD3 PRO 42 -6.705 9.117 9.243 180 H GLU 43 H GLU 43 -4.947 11.906 6.107 181 HA GLU 43 HA GLU 43 -2.951 12.526 5.271 182 HB2 GLU 43 HB2 GLU 43 -3.457 15.100 6.820 183 HB3 GLU 43 HB3 GLU 43 -2.238 14.923 5.560 184 HG2 GLU 43 HG2 GLU 43 -3.975 14.534 3.891 185 HG3 GLU 43 HG3 GLU 43 -5.220 14.572 5.137 186 H ASN 44 H ASN 44 -3.155 11.534 8.298 187 HA ASN 44 HA ASN 44 -0.484 12.413 9.217 188 HB2 ASN 44 HB2 ASN 44 -2.438 13.201 10.594 189 HB3 ASN 44 HB3 ASN 44 -2.838 11.522 10.936 190 HD21 ASN 44 HD21 ASN 44 0.451 12.877 10.793 191 HD22 ASN 44 HD22 ASN 44 0.799 12.654 12.468 192 H SER 45 H SER 45 -2.559 9.713 8.480 193 HA SER 45 HA SER 45 -1.053 7.611 9.560 194 HB2 SER 45 HB2 SER 45 -2.635 7.596 6.950 195 HB3 SER 45 HB3 SER 45 -2.177 6.181 7.911 196 HG SER 45 HG SER 45 -3.599 6.737 9.446 197 H SER 46 H SER 46 1.056 7.268 9.187 198 HA SER 46 HA SER 46 2.490 8.180 6.866 199 HB2 SER 46 HB2 SER 46 3.360 6.210 9.033 200 HB3 SER 46 HB3 SER 46 4.423 7.058 7.901 201 HG SER 46 HG SER 46 3.001 8.049 10.104 202 H VAL 47 H VAL 47 3.794 6.611 5.478 203 HA VAL 47 HA VAL 47 2.225 4.661 4.193 204 HB VAL 47 HB VAL 47 5.243 5.063 4.260 205 HG11 VAL 47 HG11 VAL 47 4.794 2.702 3.652 206 HG12 VAL 47 HG12 VAL 47 5.430 3.604 2.279 207 HG13 VAL 47 HG13 VAL 47 3.708 3.240 2.370 208 HG21 VAL 47 HG21 VAL 47 4.923 6.112 2.056 209 HG22 VAL 47 HG22 VAL 47 3.923 6.909 3.267 210 HG23 VAL 47 HG23 VAL 47 3.187 5.784 2.122 211 H GLN 48 H GLN 48 4.572 4.406 6.815 212 HA GLN 48 HA GLN 48 4.841 1.686 7.220 213 HB2 GLN 48 HB2 GLN 48 6.030 3.469 8.513 214 HB3 GLN 48 HB3 GLN 48 4.542 3.822 9.377 215 HG2 GLN 48 HG2 GLN 48 4.558 1.476 10.276 216 HG3 GLN 48 HG3 GLN 48 6.123 1.229 9.501 217 HE21 GLN 48 HE21 GLN 48 5.466 1.069 12.313 218 HE22 GLN 48 HE22 GLN 48 6.450 2.230 13.125 219 H GLN 49 H GLN 49 2.195 3.816 8.175 220 HA GLN 49 HA GLN 49 0.756 1.697 9.597 221 HB2 GLN 49 HB2 GLN 49 0.114 4.661 9.240 222 HB3 GLN 49 HB3 GLN 49 -0.751 3.550 10.296 223 HG2 GLN 49 HG2 GLN 49 1.152 3.297 11.748 224 HG3 GLN 49 HG3 GLN 49 2.197 4.161 10.621 225 HE21 GLN 49 HE21 GLN 49 1.682 4.722 13.424 226 HE22 GLN 49 HE22 GLN 49 1.072 6.338 13.499 227 H PHE 50 H PHE 50 0.786 3.249 6.524 228 HA PHE 50 HA PHE 50 -2.007 3.159 5.966 229 HB2 PHE 50 HB2 PHE 50 -0.430 4.818 4.941 230 HB3 PHE 50 HB3 PHE 50 0.289 3.514 4.005 231 HD1 PHE 50 HD1 PHE 50 -3.199 4.787 4.719 232 HD2 PHE 50 HD2 PHE 50 -0.413 3.453 1.761 233 HE1 PHE 50 HE1 PHE 50 -4.883 5.134 2.962 234 HE2 PHE 50 HE2 PHE 50 -2.100 3.796 0.025 235 HZ PHE 50 HZ PHE 50 -4.338 4.629 0.617 236 H LYS 51 H LYS 51 0.771 1.108 4.939 237 HA LYS 51 HA LYS 51 -0.917 -0.664 3.439 238 HB2 LYS 51 HB2 LYS 51 0.942 -1.915 2.861 239 HB3 LYS 51 HB3 LYS 51 1.608 -0.308 3.069 240 HG2 LYS 51 HG2 LYS 51 1.852 -2.611 5.032 241 HG3 LYS 51 HG3 LYS 51 3.099 -2.063 3.918 242 HD2 LYS 51 HD2 LYS 51 2.850 0.240 5.175 243 HD3 LYS 51 HD3 LYS 51 2.077 -0.725 6.425 244 HE2 LYS 51 HE2 LYS 51 4.879 -1.144 5.343 245 HE3 LYS 51 HE3 LYS 51 4.470 -0.417 6.894 246 HZ1 LYS 51 HZ1 LYS 51 3.944 -3.219 6.079 247 HZ2 LYS 51 HZ2 LYS 51 3.497 -2.530 7.559 248 HZ3 LYS 51 HZ3 LYS 51 5.128 -2.688 7.161 249 H GLU 52 H GLU 52 -0.230 -0.351 6.778 250 HA GLU 52 HA GLU 52 -1.060 -2.990 7.570 251 HB2 GLU 52 HB2 GLU 52 -0.980 -0.420 9.212 252 HB3 GLU 52 HB3 GLU 52 -1.179 -2.052 9.853 253 HG2 GLU 52 HG2 GLU 52 1.077 -2.646 8.901 254 HG3 GLU 52 HG3 GLU 52 1.268 -0.959 8.432 255 H GLU 53 H GLU 53 -2.692 0.092 6.957 256 HA GLU 53 HA GLU 53 -5.312 -0.850 7.679 257 HB2 GLU 53 HB2 GLU 53 -4.634 1.425 5.763 258 HB3 GLU 53 HB3 GLU 53 -6.161 1.176 6.597 259 HG2 GLU 53 HG2 GLU 53 -3.525 2.090 7.757 260 HG3 GLU 53 HG3 GLU 53 -5.067 2.940 7.739 261 H ILE 54 H ILE 54 -3.335 -0.927 4.781 262 HA ILE 54 HA ILE 54 -5.310 -1.831 2.933 263 HB ILE 54 HB ILE 54 -2.264 -2.028 2.882 264 HG12 ILE 54 HG12 ILE 54 -4.159 -0.138 1.404 265 HG13 ILE 54 HG13 ILE 54 -3.147 0.294 2.775 266 HG21 ILE 54 HG21 ILE 54 -2.409 -2.571 0.484 267 HG22 ILE 54 HG22 ILE 54 -4.167 -2.625 0.594 268 HG23 ILE 54 HG23 ILE 54 -3.194 -3.812 1.461 269 HD11 ILE 54 HD11 ILE 54 -2.150 -0.560 0.051 270 HD12 ILE 54 HD12 ILE 54 -1.144 -0.097 1.429 271 HD13 ILE 54 HD13 ILE 54 -2.212 1.087 0.679 272 H SER 55 H SER 55 -3.284 -3.506 5.301 273 HA SER 55 HA SER 55 -3.057 -6.033 4.120 274 HB2 SER 55 HB2 SER 55 -2.429 -6.866 6.357 275 HB3 SER 55 HB3 SER 55 -1.669 -5.305 6.044 276 HG SER 55 HG SER 55 -2.597 -4.637 7.799 277 H LYS 56 H LYS 56 -5.402 -4.879 6.480 278 HA LYS 56 HA LYS 56 -6.969 -7.278 6.628 279 HB2 LYS 56 HB2 LYS 56 -8.508 -5.846 7.972 280 HB3 LYS 56 HB3 LYS 56 -6.834 -5.705 8.501 281 HG2 LYS 56 HG2 LYS 56 -6.676 -3.591 7.077 282 HG3 LYS 56 HG3 LYS 56 -8.426 -3.704 6.870 283 HD2 LYS 56 HD2 LYS 56 -8.727 -3.520 9.327 284 HD3 LYS 56 HD3 LYS 56 -6.975 -3.426 9.537 285 HE2 LYS 56 HE2 LYS 56 -6.984 -1.332 8.135 286 HE3 LYS 56 HE3 LYS 56 -8.744 -1.400 8.114 287 HZ1 LYS 56 HZ1 LYS 56 -8.742 -1.174 10.521 288 HZ2 LYS 56 HZ2 LYS 56 -7.917 0.117 9.807 289 HZ3 LYS 56 HZ3 LYS 56 -7.054 -1.134 10.541 290 H ARG 57 H ARG 57 -6.931 -4.586 4.431 291 HA ARG 57 HA ARG 57 -9.682 -4.779 3.550 292 HB2 ARG 57 HB2 ARG 57 -8.274 -2.663 3.451 293 HB3 ARG 57 HB3 ARG 57 -7.336 -3.406 2.167 294 HG2 ARG 57 HG2 ARG 57 -8.891 -1.969 1.077 295 HG3 ARG 57 HG3 ARG 57 -9.514 -3.606 0.841 296 HD2 ARG 57 HD2 ARG 57 -11.044 -3.212 2.828 297 HD3 ARG 57 HD3 ARG 57 -10.500 -1.527 2.828 298 HE ARG 57 HE ARG 57 -11.440 -2.293 0.265 299 HH11 ARG 57 HH11 ARG 57 -12.649 -1.352 3.429 300 HH12 ARG 57 HH12 ARG 57 -14.199 -0.863 2.825 301 HH21 ARG 57 HH21 ARG 57 -13.460 -1.672 -0.509 302 HH22 ARG 57 HH22 ARG 57 -14.660 -1.045 0.576 303 H PHE 58 H PHE 58 -6.542 -5.449 1.964 304 HA PHE 58 HA PHE 58 -7.784 -7.033 -0.152 305 HB2 PHE 58 HB2 PHE 58 -4.922 -6.119 0.324 306 HB3 PHE 58 HB3 PHE 58 -5.371 -7.191 -0.999 307 HD1 PHE 58 HD1 PHE 58 -5.690 -3.734 0.320 308 HD2 PHE 58 HD2 PHE 58 -6.541 -6.336 -2.966 309 HE1 PHE 58 HE1 PHE 58 -6.202 -1.792 -1.092 310 HE2 PHE 58 HE2 PHE 58 -7.066 -4.388 -4.371 311 HZ PHE 58 HZ PHE 58 -6.893 -2.113 -3.440 312 H LYS 59 H LYS 59 -6.892 -7.745 2.952 313 HA LYS 59 HA LYS 59 -6.562 -9.615 4.146 314 HB2 LYS 59 HB2 LYS 59 -7.330 -11.134 1.619 315 HB3 LYS 59 HB3 LYS 59 -7.345 -11.782 3.254 316 HG2 LYS 59 HG2 LYS 59 -9.135 -9.581 2.184 317 HG3 LYS 59 HG3 LYS 59 -9.614 -11.253 2.490 318 HD2 LYS 59 HD2 LYS 59 -9.162 -10.907 4.922 319 HD3 LYS 59 HD3 LYS 59 -8.725 -9.227 4.588 320 HE2 LYS 59 HE2 LYS 59 -11.035 -8.843 3.708 321 HE3 LYS 59 HE3 LYS 59 -11.457 -10.498 4.161 322 HZ1 LYS 59 HZ1 LYS 59 -12.158 -8.898 5.833 323 HZ2 LYS 59 HZ2 LYS 59 -10.564 -8.368 6.033 324 HZ3 LYS 59 HZ3 LYS 59 -10.988 -9.943 6.465 325 H SER 60 H SER 60 -4.357 -8.439 2.671 326 HA SER 60 HA SER 60 -2.561 -10.748 2.161 327 HB2 SER 60 HB2 SER 60 -2.370 -7.880 1.139 328 HB3 SER 60 HB3 SER 60 -1.281 -9.207 0.728 329 HG SER 60 HG SER 60 -4.068 -9.327 0.241 330 H HIS 61 H HIS 61 -0.525 -10.759 3.157 331 HA HIS 61 HA HIS 61 -0.262 -9.392 5.664 332 HB2 HIS 61 HB2 HIS 61 1.846 -10.968 4.131 333 HB3 HIS 61 HB3 HIS 61 1.910 -10.531 5.841 334 HD1 HIS 61 HD1 HIS 61 1.319 -13.375 3.897 335 HD2 HIS 61 HD2 HIS 61 -0.691 -11.700 7.116 336 HE1 HIS 61 HE1 HIS 61 -0.047 -15.226 4.877 337 HE2 HIS 61 HE2 HIS 61 -1.102 -14.232 6.926 338 H THR 62 H THR 62 1.334 -7.778 6.255 339 HA THR 62 HA THR 62 1.441 -5.630 4.420 340 HB THR 62 HB THR 62 2.916 -4.525 6.215 341 HG1 THR 62 HG1 THR 62 2.559 -5.955 8.268 342 HG21 THR 62 HG21 THR 62 0.260 -5.701 7.108 343 HG22 THR 62 HG22 THR 62 0.471 -4.208 6.188 344 HG23 THR 62 HG23 THR 62 1.080 -4.320 7.839 345 H ASP 63 H ASP 63 3.751 -8.172 5.010 346 HA ASP 63 HA ASP 63 6.054 -6.833 3.881 347 HB2 ASP 63 HB2 ASP 63 7.195 -8.961 4.070 348 HB3 ASP 63 HB3 ASP 63 6.246 -8.705 5.527 349 H GLN 64 H GLN 64 3.377 -8.650 2.616 350 HA GLN 64 HA GLN 64 4.428 -9.111 -0.034 351 HB2 GLN 64 HB2 GLN 64 1.532 -8.950 0.918 352 HB3 GLN 64 HB3 GLN 64 2.060 -9.580 -0.637 353 HG2 GLN 64 HG2 GLN 64 3.119 -11.480 0.403 354 HG3 GLN 64 HG3 GLN 64 2.862 -10.808 2.014 355 HE21 GLN 64 HE21 GLN 64 0.395 -10.780 -0.547 356 HE22 GLN 64 HE22 GLN 64 -0.659 -11.906 0.226 357 H LEU 65 H LEU 65 2.810 -6.567 1.662 358 HA LEU 65 HA LEU 65 1.897 -5.094 -0.657 359 HB2 LEU 65 HB2 LEU 65 1.864 -4.365 2.298 360 HB3 LEU 65 HB3 LEU 65 0.969 -3.549 1.027 361 HG LEU 65 HG LEU 65 0.512 -6.446 1.831 362 HD11 LEU 65 HD11 LEU 65 -1.120 -4.013 2.589 363 HD12 LEU 65 HD12 LEU 65 -0.118 -4.980 3.677 364 HD13 LEU 65 HD13 LEU 65 -1.542 -5.696 2.925 365 HD21 LEU 65 HD21 LEU 65 -0.120 -6.017 -0.489 366 HD22 LEU 65 HD22 LEU 65 -1.103 -4.639 0.013 367 HD23 LEU 65 HD23 LEU 65 -1.552 -6.273 0.507 368 H VAL 66 H VAL 66 3.576 -4.224 -1.803 369 HA VAL 66 HA VAL 66 5.312 -2.275 -0.370 370 HB VAL 66 HB VAL 66 6.918 -2.444 -2.308 371 HG11 VAL 66 HG11 VAL 66 6.468 -5.047 -0.788 372 HG12 VAL 66 HG12 VAL 66 7.366 -3.645 -0.198 373 HG13 VAL 66 HG13 VAL 66 7.969 -4.557 -1.581 374 HG21 VAL 66 HG21 VAL 66 5.274 -4.880 -3.125 375 HG22 VAL 66 HG22 VAL 66 6.833 -4.413 -3.812 376 HG23 VAL 66 HG23 VAL 66 5.425 -3.375 -4.037 377 H LEU 67 H LEU 67 4.692 -0.278 -0.641 378 HA LEU 67 HA LEU 67 2.958 0.555 -2.834 379 HB2 LEU 67 HB2 LEU 67 4.035 1.988 -0.377 380 HB3 LEU 67 HB3 LEU 67 3.024 2.775 -1.579 381 HG LEU 67 HG LEU 67 2.129 0.361 0.053 382 HD11 LEU 67 HD11 LEU 67 0.733 1.933 1.337 383 HD12 LEU 67 HD12 LEU 67 1.500 3.289 0.506 384 HD13 LEU 67 HD13 LEU 67 2.453 2.241 1.557 385 HD21 LEU 67 HD21 LEU 67 0.529 2.246 -1.714 386 HD22 LEU 67 HD22 LEU 67 -0.121 0.919 -0.755 387 HD23 LEU 67 HD23 LEU 67 0.955 0.575 -2.106 388 H ILE 68 H ILE 68 3.707 1.482 -4.620 389 HA ILE 68 HA ILE 68 6.342 2.832 -4.659 390 HB ILE 68 HB ILE 68 4.863 1.539 -7.024 391 HG12 ILE 68 HG12 ILE 68 7.097 0.129 -7.087 392 HG13 ILE 68 HG13 ILE 68 7.277 0.618 -5.410 393 HG21 ILE 68 HG21 ILE 68 6.884 2.080 -8.372 394 HG22 ILE 68 HG22 ILE 68 7.556 2.959 -6.998 395 HG23 ILE 68 HG23 ILE 68 6.079 3.533 -7.772 396 HD11 ILE 68 HD11 ILE 68 4.996 -0.975 -6.575 397 HD12 ILE 68 HD12 ILE 68 5.129 -0.464 -4.890 398 HD13 ILE 68 HD13 ILE 68 6.310 -1.581 -5.570 399 H PHE 69 H PHE 69 6.388 4.908 -5.464 400 HA PHE 69 HA PHE 69 4.269 6.057 -7.032 401 HB2 PHE 69 HB2 PHE 69 3.411 6.373 -4.658 402 HB3 PHE 69 HB3 PHE 69 4.831 7.353 -4.315 403 HD1 PHE 69 HD1 PHE 69 1.651 7.199 -6.227 404 HD2 PHE 69 HD2 PHE 69 4.977 9.669 -5.149 405 HE1 PHE 69 HE1 PHE 69 0.460 9.187 -7.072 406 HE2 PHE 69 HE2 PHE 69 3.783 11.635 -6.001 407 HZ PHE 69 HZ PHE 69 1.531 11.401 -6.969 408 H ALA 70 H ALA 70 5.056 7.718 -8.261 409 HA ALA 70 HA ALA 70 6.488 9.119 -9.304 410 HB1 ALA 70 HB1 ALA 70 8.107 10.434 -7.991 411 HB2 ALA 70 HB2 ALA 70 7.898 9.339 -6.623 412 HB3 ALA 70 HB3 ALA 70 6.551 10.340 -7.160 413 H GLY 71 H GLY 71 7.133 6.125 -8.867 414 HA2 GLY 71 HA2 GLY 71 8.610 4.738 -9.979 415 HA3 GLY 71 HA3 GLY 71 9.632 6.116 -10.349 416 H LYS 72 H LYS 72 8.724 5.681 -7.025 417 HA LYS 72 HA LYS 72 11.102 4.055 -6.380 418 HB2 LYS 72 HB2 LYS 72 11.638 5.577 -4.439 419 HB3 LYS 72 HB3 LYS 72 11.941 6.290 -6.010 420 HG2 LYS 72 HG2 LYS 72 11.000 8.065 -4.815 421 HG3 LYS 72 HG3 LYS 72 9.619 7.433 -5.709 422 HD2 LYS 72 HD2 LYS 72 8.926 7.925 -3.414 423 HD3 LYS 72 HD3 LYS 72 8.901 6.177 -3.658 424 HE2 LYS 72 HE2 LYS 72 9.844 6.748 -1.460 425 HE3 LYS 72 HE3 LYS 72 11.049 5.970 -2.483 426 HZ1 LYS 72 HZ1 LYS 72 11.988 7.821 -1.317 427 HZ2 LYS 72 HZ2 LYS 72 10.834 8.877 -1.951 428 HZ3 LYS 72 HZ3 LYS 72 11.969 8.152 -2.972 429 H ILE 73 H ILE 73 10.966 3.117 -4.210 430 HA ILE 73 HA ILE 73 8.209 2.350 -3.576 431 HB ILE 73 HB ILE 73 9.056 0.560 -2.183 432 HG12 ILE 73 HG12 ILE 73 11.150 1.698 -1.301 433 HG13 ILE 73 HG13 ILE 73 11.379 0.025 -1.773 434 HG21 ILE 73 HG21 ILE 73 8.810 0.080 -4.547 435 HG22 ILE 73 HG22 ILE 73 10.182 -0.824 -3.904 436 HG23 ILE 73 HG23 ILE 73 10.459 0.627 -4.870 437 HD11 ILE 73 HD11 ILE 73 13.277 1.322 -2.402 438 HD12 ILE 73 HD12 ILE 73 12.272 2.464 -3.284 439 HD13 ILE 73 HD13 ILE 73 12.439 0.807 -3.865 440 H LEU 74 H LEU 74 7.132 3.092 -1.897 441 HA LEU 74 HA LEU 74 8.130 5.155 -0.194 442 HB2 LEU 74 HB2 LEU 74 5.474 3.688 0.042 443 HB3 LEU 74 HB3 LEU 74 5.866 5.288 0.639 444 HG LEU 74 HG LEU 74 5.477 4.478 -2.267 445 HD11 LEU 74 HD11 LEU 74 3.841 6.319 -0.482 446 HD12 LEU 74 HD12 LEU 74 3.369 4.710 -1.037 447 HD13 LEU 74 HD13 LEU 74 3.542 6.025 -2.199 448 HD21 LEU 74 HD21 LEU 74 7.271 6.153 -2.157 449 HD22 LEU 74 HD22 LEU 74 6.249 7.208 -1.177 450 HD23 LEU 74 HD23 LEU 74 5.809 6.859 -2.849 451 H LYS 75 H LYS 75 9.193 4.809 1.668 452 HA LYS 75 HA LYS 75 9.146 2.198 3.013 453 HB2 LYS 75 HB2 LYS 75 10.952 4.628 3.366 454 HB3 LYS 75 HB3 LYS 75 11.122 3.122 4.258 455 HG2 LYS 75 HG2 LYS 75 11.444 3.450 1.260 456 HG3 LYS 75 HG3 LYS 75 12.754 3.288 2.435 457 HD2 LYS 75 HD2 LYS 75 11.753 1.032 3.070 458 HD3 LYS 75 HD3 LYS 75 10.683 1.197 1.673 459 HE2 LYS 75 HE2 LYS 75 12.628 -0.177 1.120 460 HE3 LYS 75 HE3 LYS 75 12.652 1.320 0.186 461 HZ1 LYS 75 HZ1 LYS 75 14.270 2.212 1.771 462 HZ2 LYS 75 HZ2 LYS 75 14.830 0.788 1.056 463 HZ3 LYS 75 HZ3 LYS 75 14.239 0.761 2.636 464 H ASP 76 H ASP 76 9.546 2.530 5.534 465 HA ASP 76 HA ASP 76 7.129 3.468 6.680 466 HB2 ASP 76 HB2 ASP 76 8.078 2.905 8.856 467 HB3 ASP 76 HB3 ASP 76 8.471 1.645 7.698 468 H GLN 77 H GLN 77 10.223 4.986 6.169 469 HA GLN 77 HA GLN 77 9.968 7.186 7.986 470 HB2 GLN 77 HB2 GLN 77 11.938 8.108 6.810 471 HB3 GLN 77 HB3 GLN 77 12.176 6.406 7.200 472 HG2 GLN 77 HG2 GLN 77 11.759 5.750 4.894 473 HG3 GLN 77 HG3 GLN 77 11.282 7.394 4.469 474 HE21 GLN 77 HE21 GLN 77 12.838 7.471 2.829 475 HE22 GLN 77 HE22 GLN 77 14.525 7.645 3.154 476 H ASP 78 H ASP 78 8.333 6.498 5.151 477 HA ASP 78 HA ASP 78 8.052 9.285 4.236 478 HB2 ASP 78 HB2 ASP 78 7.336 6.636 2.881 479 HB3 ASP 78 HB3 ASP 78 7.002 8.224 2.193 480 H THR 79 H THR 79 6.024 10.221 3.962 481 HA THR 79 HA THR 79 3.619 8.677 4.764 482 HB THR 79 HB THR 79 2.486 10.890 5.094 483 HG1 THR 79 HG1 THR 79 4.249 12.652 5.387 484 HG21 THR 79 HG21 THR 79 4.989 10.599 6.804 485 HG22 THR 79 HG22 THR 79 3.442 9.796 7.092 486 HG23 THR 79 HG23 THR 79 3.561 11.550 7.216 487 H LEU 80 H LEU 80 2.040 8.533 3.265 488 HA LEU 80 HA LEU 80 2.463 8.924 0.524 489 HB2 LEU 80 HB2 LEU 80 -0.006 8.578 0.248 490 HB3 LEU 80 HB3 LEU 80 0.804 7.322 1.161 491 HG LEU 80 HG LEU 80 -0.577 9.527 2.703 492 HD11 LEU 80 HD11 LEU 80 -2.726 8.379 2.627 493 HD12 LEU 80 HD12 LEU 80 -2.087 7.209 1.468 494 HD13 LEU 80 HD13 LEU 80 -2.241 8.909 1.019 495 HD21 LEU 80 HD21 LEU 80 0.672 7.837 3.966 496 HD22 LEU 80 HD22 LEU 80 -0.273 6.546 3.227 497 HD23 LEU 80 HD23 LEU 80 -1.050 7.713 4.302 498 H SER 81 H SER 81 0.912 10.988 2.927 499 HA SER 81 HA SER 81 -0.241 12.944 1.296 500 HB2 SER 81 HB2 SER 81 -0.733 12.599 3.715 501 HB3 SER 81 HB3 SER 81 0.861 13.231 4.127 502 HG SER 81 HG SER 81 -0.739 14.833 4.301 503 H GLN 82 H GLN 82 3.086 12.727 2.606 504 HA GLN 82 HA GLN 82 4.023 15.273 1.776 505 HB2 GLN 82 HB2 GLN 82 5.242 13.933 3.417 506 HB3 GLN 82 HB3 GLN 82 5.522 12.662 2.241 507 HG2 GLN 82 HG2 GLN 82 7.564 13.940 2.607 508 HG3 GLN 82 HG3 GLN 82 7.004 14.148 0.947 509 HE21 GLN 82 HE21 GLN 82 8.117 16.067 0.650 510 HE22 GLN 82 HE22 GLN 82 7.688 17.541 1.440 511 H HIS 83 H HIS 83 3.611 12.250 0.020 512 HA HIS 83 HA HIS 83 5.147 13.087 -2.310 513 HB2 HIS 83 HB2 HIS 83 3.442 10.649 -1.720 514 HB3 HIS 83 HB3 HIS 83 4.170 10.923 -3.299 515 HD1 HIS 83 HD1 HIS 83 5.153 10.264 0.288 516 HD2 HIS 83 HD2 HIS 83 6.860 10.300 -3.487 517 HE1 HIS 83 HE1 HIS 83 7.452 9.348 0.584 518 HE2 HIS 83 HE2 HIS 83 8.550 9.675 -1.647 519 H GLY 84 H GLY 84 2.254 14.101 -1.196 520 HA2 GLY 84 HA2 GLY 84 0.835 15.607 -2.260 521 HA3 GLY 84 HA3 GLY 84 1.384 15.039 -3.827 522 H ILE 85 H ILE 85 0.620 12.460 -1.762 523 HA ILE 85 HA ILE 85 -1.682 11.770 -3.386 524 HB ILE 85 HB ILE 85 -0.476 10.187 -1.074 525 HG12 ILE 85 HG12 ILE 85 0.132 9.820 -4.052 526 HG13 ILE 85 HG13 ILE 85 1.203 10.658 -2.935 527 HG21 ILE 85 HG21 ILE 85 -2.260 9.289 -3.377 528 HG22 ILE 85 HG22 ILE 85 -2.770 9.517 -1.700 529 HG23 ILE 85 HG23 ILE 85 -1.605 8.260 -2.099 530 HD11 ILE 85 HD11 ILE 85 0.402 7.755 -2.767 531 HD12 ILE 85 HD12 ILE 85 1.473 8.592 -1.638 532 HD13 ILE 85 HD13 ILE 85 1.946 8.392 -3.325 533 H HIS 86 H HIS 86 -3.532 12.748 -2.842 534 HA HIS 86 HA HIS 86 -4.713 12.316 -0.241 535 HB2 HIS 86 HB2 HIS 86 -5.163 14.720 0.233 536 HB3 HIS 86 HB3 HIS 86 -3.443 14.377 0.220 537 HD1 HIS 86 HD1 HIS 86 -2.029 15.476 -1.663 538 HD2 HIS 86 HD2 HIS 86 -6.048 16.495 -1.764 539 HE1 HIS 86 HE1 HIS 86 -2.193 17.416 -3.249 540 HE2 HIS 86 HE2 HIS 86 -4.641 18.017 -3.284 541 H ASP 87 H ASP 87 -6.762 11.796 -0.595 542 HA ASP 87 HA ASP 87 -8.874 11.655 -1.365 543 HB2 ASP 87 HB2 ASP 87 -8.878 13.794 -0.146 544 HB3 ASP 87 HB3 ASP 87 -8.495 14.657 -1.629 545 H GLY 88 H GLY 88 -9.024 10.530 -3.237 546 HA2 GLY 88 HA2 GLY 88 -9.957 10.353 -5.366 547 HA3 GLY 88 HA3 GLY 88 -9.491 12.007 -5.727 548 H LEU 89 H LEU 89 -6.682 11.484 -4.740 549 HA LEU 89 HA LEU 89 -5.595 10.505 -7.213 550 HB2 LEU 89 HB2 LEU 89 -4.610 12.375 -5.696 551 HB3 LEU 89 HB3 LEU 89 -3.990 11.066 -4.698 552 HG LEU 89 HG LEU 89 -2.720 10.184 -6.684 553 HD11 LEU 89 HD11 LEU 89 -4.155 11.049 -8.468 554 HD12 LEU 89 HD12 LEU 89 -2.496 11.594 -8.702 555 HD13 LEU 89 HD13 LEU 89 -3.709 12.706 -8.058 556 HD21 LEU 89 HD21 LEU 89 -1.016 12.001 -6.779 557 HD22 LEU 89 HD22 LEU 89 -1.520 11.609 -5.141 558 HD23 LEU 89 HD23 LEU 89 -2.137 13.067 -5.922 559 H THR 90 H THR 90 -4.123 8.723 -7.384 560 HA THR 90 HA THR 90 -4.851 6.444 -5.657 561 HB THR 90 HB THR 90 -3.923 6.366 -8.561 562 HG1 THR 90 HG1 THR 90 -5.845 7.051 -9.057 563 HG21 THR 90 HG21 THR 90 -4.961 4.125 -8.579 564 HG22 THR 90 HG22 THR 90 -5.388 4.297 -6.874 565 HG23 THR 90 HG23 THR 90 -3.691 4.219 -7.364 566 H VAL 91 H VAL 91 -3.225 4.980 -5.037 567 HA VAL 91 HA VAL 91 -0.386 5.744 -5.470 568 HB VAL 91 HB VAL 91 -1.335 3.663 -3.436 569 HG11 VAL 91 HG11 VAL 91 1.081 3.715 -3.920 570 HG12 VAL 91 HG12 VAL 91 0.763 4.205 -2.257 571 HG13 VAL 91 HG13 VAL 91 1.155 5.424 -3.475 572 HG21 VAL 91 HG21 VAL 91 -1.106 6.633 -2.847 573 HG22 VAL 91 HG22 VAL 91 -1.392 5.356 -1.662 574 HG23 VAL 91 HG23 VAL 91 -2.601 5.695 -2.899 575 H HIS 92 H HIS 92 1.096 4.029 -6.105 576 HA HIS 92 HA HIS 92 -0.141 1.727 -7.461 577 HB2 HIS 92 HB2 HIS 92 2.786 2.584 -7.286 578 HB3 HIS 92 HB3 HIS 92 2.203 1.193 -8.187 579 HD1 HIS 92 HD1 HIS 92 1.895 1.641 -10.609 580 HD2 HIS 92 HD2 HIS 92 1.530 5.108 -8.350 581 HE1 HIS 92 HE1 HIS 92 1.632 3.502 -12.268 582 HE2 HIS 92 HE2 HIS 92 1.260 5.564 -10.873 583 H LEU 93 H LEU 93 -0.319 -0.192 -6.458 584 HA LEU 93 HA LEU 93 1.541 -0.914 -4.269 585 HB2 LEU 93 HB2 LEU 93 -0.629 -0.402 -3.256 586 HB3 LEU 93 HB3 LEU 93 -1.454 -1.446 -4.403 587 HG LEU 93 HG LEU 93 -0.267 -3.431 -3.389 588 HD11 LEU 93 HD11 LEU 93 0.688 -1.463 -1.294 589 HD12 LEU 93 HD12 LEU 93 1.698 -2.308 -2.468 590 HD13 LEU 93 HD13 LEU 93 0.851 -3.219 -1.223 591 HD21 LEU 93 HD21 LEU 93 -2.545 -2.862 -2.680 592 HD22 LEU 93 HD22 LEU 93 -1.903 -1.821 -1.410 593 HD23 LEU 93 HD23 LEU 93 -1.616 -3.562 -1.361 594 H VAL 94 H VAL 94 2.515 -2.768 -4.580 595 HA VAL 94 HA VAL 94 1.390 -4.757 -6.472 596 HB VAL 94 HB VAL 94 4.342 -4.312 -5.791 597 HG11 VAL 94 HG11 VAL 94 4.789 -5.986 -7.572 598 HG12 VAL 94 HG12 VAL 94 3.054 -6.270 -7.732 599 HG13 VAL 94 HG13 VAL 94 3.880 -6.674 -6.226 600 HG21 VAL 94 HG21 VAL 94 4.598 -3.571 -8.140 601 HG22 VAL 94 HG22 VAL 94 3.517 -2.510 -7.234 602 HG23 VAL 94 HG23 VAL 94 2.853 -3.690 -8.367 603 H ILE 95 H ILE 95 0.524 -6.335 -5.323 604 HA ILE 95 HA ILE 95 1.504 -7.049 -2.655 605 HB ILE 95 HB ILE 95 -0.756 -8.386 -4.220 606 HG12 ILE 95 HG12 ILE 95 -0.957 -5.979 -2.341 607 HG13 ILE 95 HG13 ILE 95 -1.286 -5.974 -4.070 608 HG21 ILE 95 HG21 ILE 95 -0.146 -8.268 -1.237 609 HG22 ILE 95 HG22 ILE 95 0.101 -9.654 -2.301 610 HG23 ILE 95 HG23 ILE 95 -1.531 -9.078 -1.975 611 HD11 ILE 95 HD11 ILE 95 -3.172 -7.510 -3.683 612 HD12 ILE 95 HD12 ILE 95 -3.333 -5.971 -2.833 613 HD13 ILE 95 HD13 ILE 95 -2.847 -7.417 -1.947 614 H LYS 96 H LYS 96 2.854 -8.757 -2.351 615 HA LYS 96 HA LYS 96 3.727 -10.344 -4.631 616 HB2 LYS 96 HB2 LYS 96 5.228 -9.269 -2.751 617 HB3 LYS 96 HB3 LYS 96 4.755 -10.666 -1.791 618 HG2 LYS 96 HG2 LYS 96 6.891 -11.131 -2.797 619 HG3 LYS 96 HG3 LYS 96 5.691 -12.145 -3.604 620 HD2 LYS 96 HD2 LYS 96 5.597 -10.439 -5.466 621 HD3 LYS 96 HD3 LYS 96 6.904 -9.559 -4.667 622 HE2 LYS 96 HE2 LYS 96 7.779 -10.944 -6.487 623 HE3 LYS 96 HE3 LYS 96 8.374 -11.537 -4.938 624 HZ1 LYS 96 HZ1 LYS 96 6.709 -13.273 -4.996 625 HZ2 LYS 96 HZ2 LYS 96 7.655 -13.327 -6.394 626 HZ3 LYS 96 HZ3 LYS 96 6.095 -12.681 -6.454 627 H THR 97 H THR 97 1.300 -11.100 -4.554 628 HA THR 97 HA THR 97 1.422 -13.868 -3.595 629 HB THR 97 HB THR 97 0.099 -12.464 -1.881 630 HG1 THR 97 HG1 THR 97 -0.277 -14.580 -1.739 631 HG21 THR 97 HG21 THR 97 -1.153 -11.040 -3.509 632 HG22 THR 97 HG22 THR 97 -2.221 -11.889 -2.388 633 HG23 THR 97 HG23 THR 97 -2.036 -12.467 -4.047 634 H GLN 98 H GLN 98 0.018 -15.284 -4.794 635 HA GLN 98 HA GLN 98 -0.396 -14.580 -7.538 636 HB2 GLN 98 HB2 GLN 98 -1.451 -16.845 -7.757 637 HB3 GLN 98 HB3 GLN 98 0.123 -16.890 -6.980 638 HG2 GLN 98 HG2 GLN 98 -1.079 -16.994 -4.763 639 HG3 GLN 98 HG3 GLN 98 -2.579 -17.205 -5.661 640 HE21 GLN 98 HE21 GLN 98 -1.380 -19.013 -3.759 641 HE22 GLN 98 HE22 GLN 98 -1.083 -20.496 -4.598 642 H ASN 99 H ASN 99 -2.664 -15.194 -4.864 643 HA ASN 99 HA ASN 99 -4.544 -13.161 -5.616 644 HB2 ASN 99 HB2 ASN 99 -5.276 -16.097 -6.065 645 HB3 ASN 99 HB3 ASN 99 -6.520 -14.919 -5.670 646 HD21 ASN 99 HD21 ASN 99 -6.003 -16.582 -8.093 647 HD22 ASN 99 HD22 ASN 99 -6.028 -15.461 -9.407 648 H ARG 100 H ARG 100 -6.266 -13.005 -3.968 649 HA ARG 100 HA ARG 100 -5.773 -14.577 -1.502 650 HB2 ARG 100 HB2 ARG 100 -6.649 -11.672 -1.730 651 HB3 ARG 100 HB3 ARG 100 -6.676 -12.586 -0.230 652 HG2 ARG 100 HG2 ARG 100 -4.142 -12.064 -1.830 653 HG3 ARG 100 HG3 ARG 100 -4.700 -11.036 -0.510 654 HD2 ARG 100 HD2 ARG 100 -3.012 -12.522 0.353 655 HD3 ARG 100 HD3 ARG 100 -4.565 -13.020 1.023 656 HE ARG 100 HE ARG 100 -3.428 -14.392 -1.323 657 HH11 ARG 100 HH11 ARG 100 -4.406 -14.603 2.043 658 HH12 ARG 100 HH12 ARG 100 -4.420 -16.334 2.052 659 HH21 ARG 100 HH21 ARG 100 -3.488 -16.664 -1.300 660 HH22 ARG 100 HH22 ARG 100 -3.901 -17.502 0.159 661 HA PRO 101 HA PRO 101 -10.078 -15.556 -2.911 662 HB2 PRO 101 HB2 PRO 101 -10.016 -18.234 -2.358 663 HB3 PRO 101 HB3 PRO 101 -9.344 -17.553 -3.844 664 HG2 PRO 101 HG2 PRO 101 -7.916 -18.413 -1.344 665 HG3 PRO 101 HG3 PRO 101 -7.443 -18.651 -3.040 666 HD2 PRO 101 HD2 PRO 101 -6.410 -16.666 -1.410 667 HD3 PRO 101 HD3 PRO 101 -6.480 -16.552 -3.181 Start of MODEL 15 1 HA PRO 23 HA PRO 23 -14.221 19.011 8.811 2 HB2 PRO 23 HB2 PRO 23 -11.819 17.562 9.886 3 HB3 PRO 23 HB3 PRO 23 -11.935 19.178 9.161 4 HG2 PRO 23 HG2 PRO 23 -11.673 18.874 11.822 5 HG3 PRO 23 HG3 PRO 23 -12.687 20.167 11.143 6 HD2 PRO 23 HD2 PRO 23 -13.541 17.502 12.311 7 HD3 PRO 23 HD3 PRO 23 -14.263 19.107 12.536 8 H LYS 24 H LYS 24 -13.620 17.793 6.934 9 HA LYS 24 HA LYS 24 -14.473 15.007 6.905 10 HB2 LYS 24 HB2 LYS 24 -14.981 16.642 5.009 11 HB3 LYS 24 HB3 LYS 24 -13.273 16.601 4.591 12 HG2 LYS 24 HG2 LYS 24 -13.609 13.999 4.435 13 HG3 LYS 24 HG3 LYS 24 -15.326 14.383 4.368 14 HD2 LYS 24 HD2 LYS 24 -14.461 14.096 2.108 15 HD3 LYS 24 HD3 LYS 24 -14.906 15.791 2.348 16 HE2 LYS 24 HE2 LYS 24 -12.559 16.386 2.694 17 HE3 LYS 24 HE3 LYS 24 -12.082 14.690 2.582 18 HZ1 LYS 24 HZ1 LYS 24 -11.667 15.853 0.543 19 HZ2 LYS 24 HZ2 LYS 24 -13.289 16.304 0.413 20 HZ3 LYS 24 HZ3 LYS 24 -12.851 14.678 0.303 21 H ILE 25 H ILE 25 -13.142 13.242 6.417 22 HA ILE 25 HA ILE 25 -10.366 13.426 7.293 23 HB ILE 25 HB ILE 25 -12.115 11.688 8.037 24 HG12 ILE 25 HG12 ILE 25 -9.462 10.581 7.022 25 HG13 ILE 25 HG13 ILE 25 -9.648 11.528 8.493 26 HG21 ILE 25 HG21 ILE 25 -12.995 11.096 5.803 27 HG22 ILE 25 HG22 ILE 25 -12.415 9.675 6.668 28 HG23 ILE 25 HG23 ILE 25 -11.438 10.375 5.375 29 HD11 ILE 25 HD11 ILE 25 -11.087 9.780 9.415 30 HD12 ILE 25 HD12 ILE 25 -9.479 9.196 8.995 31 HD13 ILE 25 HD13 ILE 25 -10.846 8.825 7.948 32 H MET 26 H MET 26 -8.637 12.256 5.983 33 HA MET 26 HA MET 26 -8.696 13.329 3.279 34 HB2 MET 26 HB2 MET 26 -6.714 13.740 4.617 35 HB3 MET 26 HB3 MET 26 -6.466 12.024 4.899 36 HG2 MET 26 HG2 MET 26 -5.630 11.666 2.748 37 HG3 MET 26 HG3 MET 26 -6.408 13.100 2.083 38 HE1 MET 26 HE1 MET 26 -5.656 15.407 4.117 39 HE2 MET 26 HE2 MET 26 -5.523 15.555 2.364 40 HE3 MET 26 HE3 MET 26 -4.161 15.999 3.391 41 H LYS 27 H LYS 27 -9.382 12.212 1.619 42 HA LYS 27 HA LYS 27 -9.756 9.310 1.770 43 HB2 LYS 27 HB2 LYS 27 -10.695 11.199 -0.432 44 HB3 LYS 27 HB3 LYS 27 -11.291 9.582 -0.080 45 HG2 LYS 27 HG2 LYS 27 -11.699 12.071 1.616 46 HG3 LYS 27 HG3 LYS 27 -12.918 11.256 0.640 47 HD2 LYS 27 HD2 LYS 27 -11.543 10.075 3.096 48 HD3 LYS 27 HD3 LYS 27 -13.170 10.754 3.061 49 HE2 LYS 27 HE2 LYS 27 -12.243 8.302 1.518 50 HE3 LYS 27 HE3 LYS 27 -13.227 8.281 2.982 51 HZ1 LYS 27 HZ1 LYS 27 -14.566 8.006 0.999 52 HZ2 LYS 27 HZ2 LYS 27 -14.019 9.483 0.381 53 HZ3 LYS 27 HZ3 LYS 27 -14.961 9.451 1.780 54 H VAL 28 H VAL 28 -7.647 8.505 1.420 55 HA VAL 28 HA VAL 28 -6.119 9.403 -0.922 56 HB VAL 28 HB VAL 28 -5.243 7.288 1.092 57 HG11 VAL 28 HG11 VAL 28 -2.955 7.975 0.418 58 HG12 VAL 28 HG12 VAL 28 -3.641 9.115 -0.740 59 HG13 VAL 28 HG13 VAL 28 -3.895 7.382 -0.954 60 HG21 VAL 28 HG21 VAL 28 -4.844 10.285 1.343 61 HG22 VAL 28 HG22 VAL 28 -4.112 9.054 2.375 62 HG23 VAL 28 HG23 VAL 28 -5.863 9.271 2.374 63 H THR 29 H THR 29 -6.481 8.408 -2.777 64 HA THR 29 HA THR 29 -7.645 5.742 -2.954 65 HB THR 29 HB THR 29 -6.757 7.441 -5.336 66 HG1 THR 29 HG1 THR 29 -8.264 8.442 -3.525 67 HG21 THR 29 HG21 THR 29 -9.133 5.585 -4.921 68 HG22 THR 29 HG22 THR 29 -7.649 5.157 -5.769 69 HG23 THR 29 HG23 THR 29 -8.701 6.407 -6.429 70 H VAL 30 H VAL 30 -6.497 3.935 -3.669 71 HA VAL 30 HA VAL 30 -3.639 4.187 -4.393 72 HB VAL 30 HB VAL 30 -4.920 2.179 -2.474 73 HG11 VAL 30 HG11 VAL 30 -2.702 1.073 -2.277 74 HG12 VAL 30 HG12 VAL 30 -2.072 2.091 -3.579 75 HG13 VAL 30 HG13 VAL 30 -3.360 0.927 -3.903 76 HG21 VAL 30 HG21 VAL 30 -2.645 4.165 -2.052 77 HG22 VAL 30 HG22 VAL 30 -3.272 3.033 -0.848 78 HG23 VAL 30 HG23 VAL 30 -4.299 4.327 -1.456 79 H LYS 31 H LYS 31 -3.228 3.289 -6.273 80 HA LYS 31 HA LYS 31 -5.086 1.431 -7.573 81 HB2 LYS 31 HB2 LYS 31 -3.979 3.650 -8.632 82 HB3 LYS 31 HB3 LYS 31 -2.622 2.583 -8.955 83 HG2 LYS 31 HG2 LYS 31 -5.477 2.148 -9.920 84 HG3 LYS 31 HG3 LYS 31 -4.174 2.837 -10.889 85 HD2 LYS 31 HD2 LYS 31 -2.949 0.716 -10.813 86 HD3 LYS 31 HD3 LYS 31 -4.147 0.030 -9.714 87 HE2 LYS 31 HE2 LYS 31 -5.862 0.192 -11.495 88 HE3 LYS 31 HE3 LYS 31 -4.651 0.868 -12.590 89 HZ1 LYS 31 HZ1 LYS 31 -4.442 -1.804 -11.317 90 HZ2 LYS 31 HZ2 LYS 31 -3.426 -1.161 -12.505 91 HZ3 LYS 31 HZ3 LYS 31 -5.026 -1.539 -12.881 92 H THR 32 H THR 32 -4.529 -0.650 -7.853 93 HA THR 32 HA THR 32 -1.903 -1.667 -6.910 94 HB THR 32 HB THR 32 -3.013 -3.351 -5.569 95 HG1 THR 32 HG1 THR 32 -5.628 -2.554 -6.135 96 HG21 THR 32 HG21 THR 32 -3.025 -1.100 -4.492 97 HG22 THR 32 HG22 THR 32 -4.366 -2.108 -3.957 98 HG23 THR 32 HG23 THR 32 -4.646 -0.823 -5.132 99 HA PRO 33 HA PRO 33 -2.024 -4.438 -10.506 100 HB2 PRO 33 HB2 PRO 33 -1.559 -6.958 -9.426 101 HB3 PRO 33 HB3 PRO 33 -0.300 -5.742 -9.680 102 HG2 PRO 33 HG2 PRO 33 -1.832 -6.368 -7.156 103 HG3 PRO 33 HG3 PRO 33 -0.077 -6.154 -7.376 104 HD2 PRO 33 HD2 PRO 33 -1.563 -4.155 -6.421 105 HD3 PRO 33 HD3 PRO 33 -0.262 -3.817 -7.578 106 H LYS 34 H LYS 34 -4.247 -4.801 -7.932 107 HA LYS 34 HA LYS 34 -5.844 -6.932 -9.169 108 HB2 LYS 34 HB2 LYS 34 -5.859 -5.654 -6.402 109 HB3 LYS 34 HB3 LYS 34 -6.939 -6.959 -6.895 110 HG2 LYS 34 HG2 LYS 34 -5.134 -8.500 -7.154 111 HG3 LYS 34 HG3 LYS 34 -3.923 -7.226 -7.035 112 HD2 LYS 34 HD2 LYS 34 -4.240 -6.981 -4.695 113 HD3 LYS 34 HD3 LYS 34 -5.768 -7.865 -4.719 114 HE2 LYS 34 HE2 LYS 34 -2.993 -9.029 -5.129 115 HE3 LYS 34 HE3 LYS 34 -4.052 -9.278 -3.737 116 HZ1 LYS 34 HZ1 LYS 34 -4.221 -11.170 -5.153 117 HZ2 LYS 34 HZ2 LYS 34 -4.504 -10.215 -6.513 118 HZ3 LYS 34 HZ3 LYS 34 -5.670 -10.306 -5.295 119 H GLU 35 H GLU 35 -6.216 -3.628 -7.865 120 HA GLU 35 HA GLU 35 -8.184 -2.765 -9.727 121 HB2 GLU 35 HB2 GLU 35 -10.147 -2.597 -8.256 122 HB3 GLU 35 HB3 GLU 35 -9.644 -4.279 -8.381 123 HG2 GLU 35 HG2 GLU 35 -8.452 -3.997 -6.179 124 HG3 GLU 35 HG3 GLU 35 -9.170 -2.397 -6.048 125 H LYS 36 H LYS 36 -9.356 -0.617 -8.417 126 HA LYS 36 HA LYS 36 -7.177 0.691 -6.855 127 HB2 LYS 36 HB2 LYS 36 -7.404 1.688 -9.168 128 HB3 LYS 36 HB3 LYS 36 -9.053 2.151 -8.770 129 HG2 LYS 36 HG2 LYS 36 -8.206 3.567 -6.930 130 HG3 LYS 36 HG3 LYS 36 -6.557 3.125 -7.362 131 HD2 LYS 36 HD2 LYS 36 -6.985 5.298 -8.284 132 HD3 LYS 36 HD3 LYS 36 -6.937 4.164 -9.630 133 HE2 LYS 36 HE2 LYS 36 -9.555 5.011 -8.366 134 HE3 LYS 36 HE3 LYS 36 -8.791 5.968 -9.628 135 HZ1 LYS 36 HZ1 LYS 36 -8.905 4.024 -11.080 136 HZ2 LYS 36 HZ2 LYS 36 -10.427 4.518 -10.554 137 HZ3 LYS 36 HZ3 LYS 36 -9.707 3.157 -9.870 138 H GLU 37 H GLU 37 -7.790 1.300 -4.877 139 HA GLU 37 HA GLU 37 -10.677 1.500 -4.198 140 HB2 GLU 37 HB2 GLU 37 -8.434 0.213 -2.582 141 HB3 GLU 37 HB3 GLU 37 -10.042 0.532 -1.937 142 HG2 GLU 37 HG2 GLU 37 -9.479 -1.259 -4.322 143 HG3 GLU 37 HG3 GLU 37 -9.681 -1.833 -2.671 144 H GLU 38 H GLU 38 -11.024 2.617 -2.084 145 HA GLU 38 HA GLU 38 -9.386 5.082 -1.890 146 HB2 GLU 38 HB2 GLU 38 -11.545 5.551 -2.961 147 HB3 GLU 38 HB3 GLU 38 -12.412 4.733 -1.666 148 HG2 GLU 38 HG2 GLU 38 -11.575 6.484 -0.070 149 HG3 GLU 38 HG3 GLU 38 -10.846 7.328 -1.436 150 H PHE 39 H PHE 39 -8.818 5.701 0.147 151 HA PHE 39 HA PHE 39 -9.688 4.067 2.466 152 HB2 PHE 39 HB2 PHE 39 -6.840 4.998 1.869 153 HB3 PHE 39 HB3 PHE 39 -7.354 4.086 3.292 154 HD1 PHE 39 HD1 PHE 39 -8.110 1.719 3.054 155 HD2 PHE 39 HD2 PHE 39 -6.483 3.882 -0.261 156 HE1 PHE 39 HE1 PHE 39 -7.810 -0.380 1.826 157 HE2 PHE 39 HE2 PHE 39 -6.208 1.768 -1.487 158 HZ PHE 39 HZ PHE 39 -6.861 -0.364 -0.448 159 H ALA 40 H ALA 40 -9.667 5.158 4.483 160 HA ALA 40 HA ALA 40 -9.750 8.125 4.308 161 HB1 ALA 40 HB1 ALA 40 -11.505 8.005 6.044 162 HB2 ALA 40 HB2 ALA 40 -11.419 6.243 6.011 163 HB3 ALA 40 HB3 ALA 40 -11.966 7.127 4.586 164 H VAL 41 H VAL 41 -7.981 8.903 5.270 165 HA VAL 41 HA VAL 41 -7.057 7.834 7.874 166 HB VAL 41 HB VAL 41 -4.704 8.152 7.240 167 HG11 VAL 41 HG11 VAL 41 -5.667 5.919 6.917 168 HG12 VAL 41 HG12 VAL 41 -4.414 6.242 5.722 169 HG13 VAL 41 HG13 VAL 41 -6.117 6.329 5.261 170 HG21 VAL 41 HG21 VAL 41 -5.706 8.839 4.451 171 HG22 VAL 41 HG22 VAL 41 -4.018 8.568 4.888 172 HG23 VAL 41 HG23 VAL 41 -4.897 9.936 5.573 173 HA PRO 42 HA PRO 42 -7.356 12.164 8.943 174 HB2 PRO 42 HB2 PRO 42 -6.129 12.224 11.344 175 HB3 PRO 42 HB3 PRO 42 -7.599 11.273 11.094 176 HG2 PRO 42 HG2 PRO 42 -4.730 10.327 11.084 177 HG3 PRO 42 HG3 PRO 42 -6.129 9.629 11.931 178 HD2 PRO 42 HD2 PRO 42 -5.221 8.678 9.528 179 HD3 PRO 42 HD3 PRO 42 -6.925 8.579 10.019 180 H GLU 43 H GLU 43 -5.515 11.972 6.955 181 HA GLU 43 HA GLU 43 -3.704 12.759 5.893 182 HB2 GLU 43 HB2 GLU 43 -3.499 15.119 5.899 183 HB3 GLU 43 HB3 GLU 43 -5.171 14.786 6.318 184 HG2 GLU 43 HG2 GLU 43 -4.679 15.279 8.686 185 HG3 GLU 43 HG3 GLU 43 -2.989 15.576 8.280 186 H ASN 44 H ASN 44 -3.013 11.481 8.612 187 HA ASN 44 HA ASN 44 -0.255 12.480 8.856 188 HB2 ASN 44 HB2 ASN 44 -1.637 13.663 10.541 189 HB3 ASN 44 HB3 ASN 44 -2.196 12.128 11.182 190 HD21 ASN 44 HD21 ASN 44 0.688 14.128 10.733 191 HD22 ASN 44 HD22 ASN 44 1.557 13.490 12.083 192 H SER 45 H SER 45 -2.395 9.844 8.603 193 HA SER 45 HA SER 45 -0.842 7.792 9.744 194 HB2 SER 45 HB2 SER 45 -2.654 7.688 7.291 195 HB3 SER 45 HB3 SER 45 -2.050 6.284 8.179 196 HG SER 45 HG SER 45 -3.143 7.181 10.040 197 H SER 46 H SER 46 1.310 7.684 9.310 198 HA SER 46 HA SER 46 2.636 8.206 6.881 199 HB2 SER 46 HB2 SER 46 3.416 6.192 9.040 200 HB3 SER 46 HB3 SER 46 4.497 6.935 7.860 201 HG SER 46 HG SER 46 3.794 8.993 8.828 202 H VAL 47 H VAL 47 3.602 6.556 5.419 203 HA VAL 47 HA VAL 47 1.851 4.676 4.323 204 HB VAL 47 HB VAL 47 4.904 4.817 4.193 205 HG11 VAL 47 HG11 VAL 47 3.055 3.151 2.434 206 HG12 VAL 47 HG12 VAL 47 4.271 2.538 3.552 207 HG13 VAL 47 HG13 VAL 47 4.770 3.432 2.118 208 HG21 VAL 47 HG21 VAL 47 3.723 6.815 3.331 209 HG22 VAL 47 HG22 VAL 47 2.779 5.802 2.235 210 HG23 VAL 47 HG23 VAL 47 4.523 5.946 2.027 211 H GLN 48 H GLN 48 4.175 4.335 6.942 212 HA GLN 48 HA GLN 48 4.108 1.634 7.576 213 HB2 GLN 48 HB2 GLN 48 5.507 3.360 8.704 214 HB3 GLN 48 HB3 GLN 48 4.077 4.013 9.490 215 HG2 GLN 48 HG2 GLN 48 3.797 2.003 10.809 216 HG3 GLN 48 HG3 GLN 48 5.055 1.167 9.898 217 HE21 GLN 48 HE21 GLN 48 6.292 0.744 11.735 218 HE22 GLN 48 HE22 GLN 48 7.134 1.974 12.606 219 H GLN 49 H GLN 49 1.841 4.184 8.627 220 HA GLN 49 HA GLN 49 0.125 2.375 10.092 221 HB2 GLN 49 HB2 GLN 49 0.599 4.736 10.795 222 HB3 GLN 49 HB3 GLN 49 -0.228 5.312 9.357 223 HG2 GLN 49 HG2 GLN 49 -1.737 5.569 11.180 224 HG3 GLN 49 HG3 GLN 49 -2.332 4.221 10.211 225 HE21 GLN 49 HE21 GLN 49 -3.507 3.431 11.985 226 HE22 GLN 49 HE22 GLN 49 -2.750 2.624 13.307 227 H PHE 50 H PHE 50 0.349 3.520 6.869 228 HA PHE 50 HA PHE 50 -2.503 3.560 6.282 229 HB2 PHE 50 HB2 PHE 50 -1.118 5.411 5.504 230 HB3 PHE 50 HB3 PHE 50 -0.055 4.310 4.638 231 HD1 PHE 50 HD1 PHE 50 -3.791 4.775 4.779 232 HD2 PHE 50 HD2 PHE 50 -0.293 4.592 2.335 233 HE1 PHE 50 HE1 PHE 50 -5.167 5.094 2.779 234 HE2 PHE 50 HE2 PHE 50 -1.681 4.911 0.338 235 HZ PHE 50 HZ PHE 50 -4.121 5.163 0.559 236 H LYS 51 H LYS 51 0.394 1.699 5.269 237 HA LYS 51 HA LYS 51 -0.979 0.286 3.207 238 HB2 LYS 51 HB2 LYS 51 1.021 -0.705 2.654 239 HB3 LYS 51 HB3 LYS 51 1.624 0.690 3.518 240 HG2 LYS 51 HG2 LYS 51 1.480 -2.158 4.547 241 HG3 LYS 51 HG3 LYS 51 2.923 -1.290 4.043 242 HD2 LYS 51 HD2 LYS 51 2.286 0.372 5.989 243 HD3 LYS 51 HD3 LYS 51 1.288 -0.955 6.563 244 HE2 LYS 51 HE2 LYS 51 3.405 -2.403 6.458 245 HE3 LYS 51 HE3 LYS 51 4.295 -0.900 6.219 246 HZ1 LYS 51 HZ1 LYS 51 4.318 -1.533 8.517 247 HZ2 LYS 51 HZ2 LYS 51 2.630 -1.597 8.573 248 HZ3 LYS 51 HZ3 LYS 51 3.409 -0.119 8.342 249 H GLU 52 H GLU 52 -0.818 -0.084 6.599 250 HA GLU 52 HA GLU 52 -1.641 -2.787 6.896 251 HB2 GLU 52 HB2 GLU 52 -2.221 -0.434 8.746 252 HB3 GLU 52 HB3 GLU 52 -2.245 -2.143 9.182 253 HG2 GLU 52 HG2 GLU 52 0.203 -2.262 8.729 254 HG3 GLU 52 HG3 GLU 52 0.196 -0.538 8.361 255 H GLU 53 H GLU 53 -3.384 0.301 6.676 256 HA GLU 53 HA GLU 53 -6.048 -0.611 6.803 257 HB2 GLU 53 HB2 GLU 53 -4.872 1.827 5.387 258 HB3 GLU 53 HB3 GLU 53 -6.593 1.569 5.634 259 HG2 GLU 53 HG2 GLU 53 -4.587 1.806 7.894 260 HG3 GLU 53 HG3 GLU 53 -5.493 3.171 7.244 261 H ILE 54 H ILE 54 -3.749 -0.400 4.125 262 HA ILE 54 HA ILE 54 -5.636 -1.168 2.077 263 HB ILE 54 HB ILE 54 -2.598 -1.375 1.875 264 HG12 ILE 54 HG12 ILE 54 -4.256 1.121 1.230 265 HG13 ILE 54 HG13 ILE 54 -3.215 0.942 2.640 266 HG21 ILE 54 HG21 ILE 54 -4.750 -0.958 -0.250 267 HG22 ILE 54 HG22 ILE 54 -3.834 -2.438 0.036 268 HG23 ILE 54 HG23 ILE 54 -3.013 -0.997 -0.551 269 HD11 ILE 54 HD11 ILE 54 -2.300 0.899 -0.242 270 HD12 ILE 54 HD12 ILE 54 -1.262 0.711 1.173 271 HD13 ILE 54 HD13 ILE 54 -2.115 2.229 0.904 272 H SER 55 H SER 55 -3.418 -2.845 4.250 273 HA SER 55 HA SER 55 -3.232 -5.330 2.892 274 HB2 SER 55 HB2 SER 55 -2.726 -4.589 5.802 275 HB3 SER 55 HB3 SER 55 -2.440 -6.210 5.159 276 HG SER 55 HG SER 55 -1.342 -4.047 3.782 277 H LYS 56 H LYS 56 -5.389 -4.234 5.530 278 HA LYS 56 HA LYS 56 -6.861 -6.695 5.768 279 HB2 LYS 56 HB2 LYS 56 -8.426 -5.400 7.152 280 HB3 LYS 56 HB3 LYS 56 -6.772 -4.965 7.579 281 HG2 LYS 56 HG2 LYS 56 -6.951 -2.904 6.236 282 HG3 LYS 56 HG3 LYS 56 -8.596 -3.342 5.773 283 HD2 LYS 56 HD2 LYS 56 -9.294 -3.182 8.159 284 HD3 LYS 56 HD3 LYS 56 -7.645 -2.716 8.596 285 HE2 LYS 56 HE2 LYS 56 -7.860 -0.714 7.116 286 HE3 LYS 56 HE3 LYS 56 -9.532 -1.167 6.781 287 HZ1 LYS 56 HZ1 LYS 56 -9.356 0.531 8.489 288 HZ2 LYS 56 HZ2 LYS 56 -8.426 -0.501 9.451 289 HZ3 LYS 56 HZ3 LYS 56 -10.037 -0.887 9.116 290 H ARG 57 H ARG 57 -6.943 -4.118 3.499 291 HA ARG 57 HA ARG 57 -9.681 -4.381 2.649 292 HB2 ARG 57 HB2 ARG 57 -8.247 -2.282 2.451 293 HB3 ARG 57 HB3 ARG 57 -7.366 -3.078 1.157 294 HG2 ARG 57 HG2 ARG 57 -8.996 -1.555 0.204 295 HG3 ARG 57 HG3 ARG 57 -9.476 -3.214 -0.164 296 HD2 ARG 57 HD2 ARG 57 -11.117 -3.157 1.678 297 HD3 ARG 57 HD3 ARG 57 -10.617 -1.508 2.075 298 HE ARG 57 HE ARG 57 -11.564 -1.934 -0.644 299 HH11 ARG 57 HH11 ARG 57 -12.399 -0.859 2.592 300 HH12 ARG 57 HH12 ARG 57 -13.871 -0.096 2.089 301 HH21 ARG 57 HH21 ARG 57 -13.487 -0.913 -1.286 302 HH22 ARG 57 HH22 ARG 57 -14.485 -0.117 -0.106 303 H PHE 58 H PHE 58 -6.520 -5.305 1.286 304 HA PHE 58 HA PHE 58 -7.752 -7.012 -0.771 305 HB2 PHE 58 HB2 PHE 58 -4.871 -6.106 -0.325 306 HB3 PHE 58 HB3 PHE 58 -5.365 -7.196 -1.625 307 HD1 PHE 58 HD1 PHE 58 -6.927 -6.384 -3.402 308 HD2 PHE 58 HD2 PHE 58 -5.266 -3.705 -0.513 309 HE1 PHE 58 HE1 PHE 58 -7.589 -4.479 -4.775 310 HE2 PHE 58 HE2 PHE 58 -5.935 -1.788 -1.912 311 HZ PHE 58 HZ PHE 58 -7.108 -2.182 -4.044 312 H LYS 59 H LYS 59 -6.936 -7.406 2.373 313 HA LYS 59 HA LYS 59 -6.690 -9.118 3.780 314 HB2 LYS 59 HB2 LYS 59 -7.260 -10.983 1.444 315 HB3 LYS 59 HB3 LYS 59 -7.435 -11.364 3.151 316 HG2 LYS 59 HG2 LYS 59 -9.106 -9.408 1.549 317 HG3 LYS 59 HG3 LYS 59 -9.630 -10.976 2.174 318 HD2 LYS 59 HD2 LYS 59 -9.430 -10.140 4.481 319 HD3 LYS 59 HD3 LYS 59 -8.788 -8.602 3.893 320 HE2 LYS 59 HE2 LYS 59 -10.958 -8.196 2.714 321 HE3 LYS 59 HE3 LYS 59 -11.593 -9.684 3.424 322 HZ1 LYS 59 HZ1 LYS 59 -12.248 -7.717 4.671 323 HZ2 LYS 59 HZ2 LYS 59 -10.624 -7.322 4.945 324 HZ3 LYS 59 HZ3 LYS 59 -11.273 -8.733 5.609 325 H SER 60 H SER 60 -4.461 -8.152 2.015 326 HA SER 60 HA SER 60 -2.562 -10.382 1.908 327 HB2 SER 60 HB2 SER 60 -2.265 -7.463 1.067 328 HB3 SER 60 HB3 SER 60 -1.138 -8.773 0.703 329 HG SER 60 HG SER 60 -3.837 -9.003 -0.071 330 H HIS 61 H HIS 61 -0.305 -9.897 2.758 331 HA HIS 61 HA HIS 61 -0.438 -8.715 5.465 332 HB2 HIS 61 HB2 HIS 61 1.692 -10.507 4.214 333 HB3 HIS 61 HB3 HIS 61 1.684 -9.945 5.887 334 HD1 HIS 61 HD1 HIS 61 0.395 -11.349 7.538 335 HD2 HIS 61 HD2 HIS 61 -0.497 -12.331 3.608 336 HE1 HIS 61 HE1 HIS 61 -1.014 -13.417 7.665 337 HE2 HIS 61 HE2 HIS 61 -1.722 -13.844 5.289 338 H THR 62 H THR 62 1.142 -7.174 6.146 339 HA THR 62 HA THR 62 1.416 -5.040 4.364 340 HB THR 62 HB THR 62 2.812 -4.004 6.241 341 HG1 THR 62 HG1 THR 62 2.941 -5.215 8.164 342 HG21 THR 62 HG21 THR 62 0.149 -5.240 7.045 343 HG22 THR 62 HG22 THR 62 0.363 -3.707 6.201 344 HG23 THR 62 HG23 THR 62 0.944 -3.882 7.855 345 H ASP 63 H ASP 63 3.787 -7.503 5.258 346 HA ASP 63 HA ASP 63 6.165 -6.314 4.308 347 HB2 ASP 63 HB2 ASP 63 6.215 -8.297 5.731 348 HB3 ASP 63 HB3 ASP 63 5.332 -9.239 4.542 349 H GLN 64 H GLN 64 3.530 -7.854 2.621 350 HA GLN 64 HA GLN 64 4.901 -8.278 0.119 351 HB2 GLN 64 HB2 GLN 64 1.910 -8.293 0.674 352 HB3 GLN 64 HB3 GLN 64 2.706 -8.944 -0.757 353 HG2 GLN 64 HG2 GLN 64 3.897 -10.582 0.721 354 HG3 GLN 64 HG3 GLN 64 2.950 -9.987 2.079 355 HE21 GLN 64 HE21 GLN 64 0.535 -9.754 0.187 356 HE22 GLN 64 HE22 GLN 64 -0.039 -11.369 0.087 357 H LEU 65 H LEU 65 3.153 -5.648 1.572 358 HA LEU 65 HA LEU 65 2.491 -4.333 -0.950 359 HB2 LEU 65 HB2 LEU 65 1.905 -3.659 1.952 360 HB3 LEU 65 HB3 LEU 65 1.575 -2.521 0.655 361 HG LEU 65 HG LEU 65 0.060 -4.317 -0.383 362 HD11 LEU 65 HD11 LEU 65 0.880 -6.277 0.825 363 HD12 LEU 65 HD12 LEU 65 -0.849 -6.053 1.077 364 HD13 LEU 65 HD13 LEU 65 0.295 -5.606 2.349 365 HD21 LEU 65 HD21 LEU 65 -0.830 -2.349 0.768 366 HD22 LEU 65 HD22 LEU 65 -0.749 -3.191 2.317 367 HD23 LEU 65 HD23 LEU 65 -1.845 -3.759 1.054 368 H VAL 66 H VAL 66 4.050 -3.190 -1.952 369 HA VAL 66 HA VAL 66 5.472 -1.110 -0.382 370 HB VAL 66 HB VAL 66 7.052 -0.931 -2.418 371 HG11 VAL 66 HG11 VAL 66 8.537 -2.758 -1.685 372 HG12 VAL 66 HG12 VAL 66 7.207 -3.487 -0.782 373 HG13 VAL 66 HG13 VAL 66 7.832 -1.905 -0.313 374 HG21 VAL 66 HG21 VAL 66 5.943 -3.690 -3.083 375 HG22 VAL 66 HG22 VAL 66 7.331 -2.919 -3.854 376 HG23 VAL 66 HG23 VAL 66 5.719 -2.230 -4.050 377 H LEU 67 H LEU 67 4.592 0.865 -0.669 378 HA LEU 67 HA LEU 67 2.898 1.498 -2.955 379 HB2 LEU 67 HB2 LEU 67 3.861 3.135 -0.571 380 HB3 LEU 67 HB3 LEU 67 2.926 3.838 -1.879 381 HG LEU 67 HG LEU 67 1.954 1.683 0.046 382 HD11 LEU 67 HD11 LEU 67 2.101 3.959 1.031 383 HD12 LEU 67 HD12 LEU 67 0.439 3.402 0.896 384 HD13 LEU 67 HD13 LEU 67 1.072 4.577 -0.260 385 HD21 LEU 67 HD21 LEU 67 0.439 3.028 -2.232 386 HD22 LEU 67 HD22 LEU 67 -0.251 1.922 -1.043 387 HD23 LEU 67 HD23 LEU 67 0.951 1.338 -2.188 388 H ILE 68 H ILE 68 3.520 2.820 -4.666 389 HA ILE 68 HA ILE 68 6.255 3.938 -4.675 390 HB ILE 68 HB ILE 68 4.787 2.784 -7.107 391 HG12 ILE 68 HG12 ILE 68 7.018 1.381 -7.201 392 HG13 ILE 68 HG13 ILE 68 7.192 1.800 -5.511 393 HG21 ILE 68 HG21 ILE 68 6.819 3.391 -8.419 394 HG22 ILE 68 HG22 ILE 68 7.473 4.220 -7.003 395 HG23 ILE 68 HG23 ILE 68 5.996 4.808 -7.766 396 HD11 ILE 68 HD11 ILE 68 5.053 0.701 -5.033 397 HD12 ILE 68 HD12 ILE 68 6.221 -0.394 -5.764 398 HD13 ILE 68 HD13 ILE 68 4.905 0.261 -6.737 399 H PHE 69 H PHE 69 6.345 6.013 -5.006 400 HA PHE 69 HA PHE 69 4.458 7.470 -6.653 401 HB2 PHE 69 HB2 PHE 69 3.421 7.484 -4.330 402 HB3 PHE 69 HB3 PHE 69 4.841 8.344 -3.750 403 HD1 PHE 69 HD1 PHE 69 1.812 8.592 -5.886 404 HD2 PHE 69 HD2 PHE 69 5.137 10.744 -4.237 405 HE1 PHE 69 HE1 PHE 69 0.757 10.730 -6.511 406 HE2 PHE 69 HE2 PHE 69 4.065 12.860 -4.865 407 HZ PHE 69 HZ PHE 69 1.880 12.864 -5.997 408 H ALA 70 H ALA 70 5.337 9.471 -7.346 409 HA ALA 70 HA ALA 70 6.947 10.852 -8.120 410 HB1 ALA 70 HB1 ALA 70 8.397 10.259 -5.516 411 HB2 ALA 70 HB2 ALA 70 7.187 11.517 -5.750 412 HB3 ALA 70 HB3 ALA 70 8.729 11.614 -6.601 413 H GLY 71 H GLY 71 7.098 7.836 -8.479 414 HA2 GLY 71 HA2 GLY 71 8.364 6.347 -9.669 415 HA3 GLY 71 HA3 GLY 71 9.509 7.642 -9.993 416 H LYS 72 H LYS 72 8.594 6.615 -6.733 417 HA LYS 72 HA LYS 72 10.944 4.924 -6.368 418 HB2 LYS 72 HB2 LYS 72 11.801 6.250 -4.446 419 HB3 LYS 72 HB3 LYS 72 11.903 7.129 -5.962 420 HG2 LYS 72 HG2 LYS 72 11.161 8.814 -4.551 421 HG3 LYS 72 HG3 LYS 72 9.617 8.214 -5.145 422 HD2 LYS 72 HD2 LYS 72 9.512 8.588 -2.710 423 HD3 LYS 72 HD3 LYS 72 9.358 6.866 -3.072 424 HE2 LYS 72 HE2 LYS 72 11.783 6.573 -2.559 425 HE3 LYS 72 HE3 LYS 72 11.869 8.275 -2.096 426 HZ1 LYS 72 HZ1 LYS 72 10.246 7.819 -0.362 427 HZ2 LYS 72 HZ2 LYS 72 11.616 6.847 -0.188 428 HZ3 LYS 72 HZ3 LYS 72 10.194 6.192 -0.818 429 H ILE 73 H ILE 73 10.869 3.701 -4.351 430 HA ILE 73 HA ILE 73 8.137 3.036 -3.635 431 HB ILE 73 HB ILE 73 8.920 1.127 -2.388 432 HG12 ILE 73 HG12 ILE 73 10.970 2.086 -1.292 433 HG13 ILE 73 HG13 ILE 73 11.252 0.504 -1.991 434 HG21 ILE 73 HG21 ILE 73 10.090 -0.158 -4.156 435 HG22 ILE 73 HG22 ILE 73 10.437 1.348 -5.006 436 HG23 ILE 73 HG23 ILE 73 8.767 0.821 -4.795 437 HD11 ILE 73 HD11 ILE 73 12.433 1.531 -3.860 438 HD12 ILE 73 HD12 ILE 73 13.136 1.996 -2.311 439 HD13 ILE 73 HD13 ILE 73 12.112 3.131 -3.191 440 H LEU 74 H LEU 74 7.064 3.895 -2.026 441 HA LEU 74 HA LEU 74 8.169 5.551 0.028 442 HB2 LEU 74 HB2 LEU 74 5.358 4.386 -0.122 443 HB3 LEU 74 HB3 LEU 74 5.882 5.774 0.817 444 HG LEU 74 HG LEU 74 5.651 5.630 -2.207 445 HD11 LEU 74 HD11 LEU 74 3.479 5.783 -1.104 446 HD12 LEU 74 HD12 LEU 74 3.850 7.295 -1.926 447 HD13 LEU 74 HD13 LEU 74 4.021 7.186 -0.173 448 HD21 LEU 74 HD21 LEU 74 7.563 7.071 -1.627 449 HD22 LEU 74 HD22 LEU 74 6.558 7.990 -0.503 450 HD23 LEU 74 HD23 LEU 74 6.221 8.043 -2.235 451 H LYS 75 H LYS 75 9.069 4.810 1.810 452 HA LYS 75 HA LYS 75 8.602 2.101 2.830 453 HB2 LYS 75 HB2 LYS 75 10.594 4.217 3.767 454 HB3 LYS 75 HB3 LYS 75 10.582 2.516 4.229 455 HG2 LYS 75 HG2 LYS 75 11.107 3.587 1.431 456 HG3 LYS 75 HG3 LYS 75 12.339 3.025 2.560 457 HD2 LYS 75 HD2 LYS 75 10.101 1.279 1.457 458 HD3 LYS 75 HD3 LYS 75 11.728 1.345 0.790 459 HE2 LYS 75 HE2 LYS 75 12.665 0.462 2.864 460 HE3 LYS 75 HE3 LYS 75 11.082 0.521 3.639 461 HZ1 LYS 75 HZ1 LYS 75 11.793 -1.185 1.315 462 HZ2 LYS 75 HZ2 LYS 75 10.287 -1.127 2.081 463 HZ3 LYS 75 HZ3 LYS 75 11.634 -1.710 2.917 464 H ASP 76 H ASP 76 8.879 2.240 5.451 465 HA ASP 76 HA ASP 76 6.446 3.348 6.452 466 HB2 ASP 76 HB2 ASP 76 7.165 2.446 8.643 467 HB3 ASP 76 HB3 ASP 76 7.333 1.264 7.358 468 H GLN 77 H GLN 77 9.706 4.544 6.270 469 HA GLN 77 HA GLN 77 9.445 6.650 8.233 470 HB2 GLN 77 HB2 GLN 77 11.607 7.414 7.455 471 HB3 GLN 77 HB3 GLN 77 11.654 5.659 7.536 472 HG2 GLN 77 HG2 GLN 77 11.298 5.571 5.062 473 HG3 GLN 77 HG3 GLN 77 11.373 7.328 5.015 474 HE21 GLN 77 HE21 GLN 77 13.222 4.406 5.285 475 HE22 GLN 77 HE22 GLN 77 14.782 5.141 5.219 476 H ASP 78 H ASP 78 8.256 6.177 5.101 477 HA ASP 78 HA ASP 78 7.986 9.013 4.394 478 HB2 ASP 78 HB2 ASP 78 7.124 6.483 2.902 479 HB3 ASP 78 HB3 ASP 78 6.984 8.120 2.275 480 H THR 79 H THR 79 6.003 10.019 4.276 481 HA THR 79 HA THR 79 3.558 8.559 5.031 482 HB THR 79 HB THR 79 4.303 11.466 5.623 483 HG1 THR 79 HG1 THR 79 4.406 10.790 7.768 484 HG21 THR 79 HG21 THR 79 2.235 11.558 6.940 485 HG22 THR 79 HG22 THR 79 1.824 9.915 6.437 486 HG23 THR 79 HG23 THR 79 1.894 11.216 5.247 487 H LEU 80 H LEU 80 1.793 9.002 3.759 488 HA LEU 80 HA LEU 80 2.121 9.650 1.080 489 HB2 LEU 80 HB2 LEU 80 -0.405 9.710 1.023 490 HB3 LEU 80 HB3 LEU 80 0.308 8.268 1.700 491 HG LEU 80 HG LEU 80 -0.135 9.687 4.014 492 HD11 LEU 80 HD11 LEU 80 -2.369 10.698 3.990 493 HD12 LEU 80 HD12 LEU 80 -2.454 10.491 2.240 494 HD13 LEU 80 HD13 LEU 80 -1.251 11.570 2.942 495 HD21 LEU 80 HD21 LEU 80 -2.065 8.251 4.418 496 HD22 LEU 80 HD22 LEU 80 -0.757 7.349 3.642 497 HD23 LEU 80 HD23 LEU 80 -2.161 7.864 2.695 498 H SER 81 H SER 81 0.832 11.702 3.715 499 HA SER 81 HA SER 81 0.046 13.927 2.176 500 HB2 SER 81 HB2 SER 81 -0.033 15.098 4.390 501 HB3 SER 81 HB3 SER 81 -0.803 13.511 4.435 502 HG SER 81 HG SER 81 0.483 13.566 6.202 503 H GLN 82 H GLN 82 3.052 13.213 3.896 504 HA GLN 82 HA GLN 82 4.331 15.733 3.547 505 HB2 GLN 82 HB2 GLN 82 5.612 13.013 4.052 506 HB3 GLN 82 HB3 GLN 82 6.372 14.576 4.316 507 HG2 GLN 82 HG2 GLN 82 4.054 13.389 5.851 508 HG3 GLN 82 HG3 GLN 82 5.694 13.634 6.436 509 HE21 GLN 82 HE21 GLN 82 2.619 15.153 5.779 510 HE22 GLN 82 HE22 GLN 82 2.982 16.668 6.530 511 H HIS 83 H HIS 83 3.955 12.946 1.504 512 HA HIS 83 HA HIS 83 6.064 13.805 -0.377 513 HB2 HIS 83 HB2 HIS 83 4.519 11.200 -0.064 514 HB3 HIS 83 HB3 HIS 83 5.594 11.516 -1.429 515 HD1 HIS 83 HD1 HIS 83 5.944 11.924 2.351 516 HD2 HIS 83 HD2 HIS 83 8.035 10.431 -0.901 517 HE1 HIS 83 HE1 HIS 83 8.177 11.242 3.252 518 HE2 HIS 83 HE2 HIS 83 9.355 10.192 1.300 519 H GLY 84 H GLY 84 3.100 14.794 0.090 520 HA2 GLY 84 HA2 GLY 84 1.979 16.300 -1.271 521 HA3 GLY 84 HA3 GLY 84 2.898 15.731 -2.654 522 H ILE 85 H ILE 85 1.427 13.235 -0.848 523 HA ILE 85 HA ILE 85 -0.750 12.886 -2.810 524 HB ILE 85 HB ILE 85 -0.048 10.961 -0.538 525 HG12 ILE 85 HG12 ILE 85 1.114 10.712 -3.343 526 HG13 ILE 85 HG13 ILE 85 2.001 11.451 -2.017 527 HG21 ILE 85 HG21 ILE 85 -1.138 9.282 -1.957 528 HG22 ILE 85 HG22 ILE 85 -1.400 10.477 -3.224 529 HG23 ILE 85 HG23 ILE 85 -2.225 10.641 -1.673 530 HD11 ILE 85 HD11 ILE 85 2.649 9.143 -2.375 531 HD12 ILE 85 HD12 ILE 85 0.996 8.610 -2.077 532 HD13 ILE 85 HD13 ILE 85 1.932 9.362 -0.783 533 H HIS 86 H HIS 86 -2.632 13.900 -2.198 534 HA HIS 86 HA HIS 86 -3.588 13.674 0.549 535 HB2 HIS 86 HB2 HIS 86 -3.858 16.125 0.857 536 HB3 HIS 86 HB3 HIS 86 -2.167 15.657 0.726 537 HD1 HIS 86 HD1 HIS 86 -4.533 18.072 -0.538 538 HD2 HIS 86 HD2 HIS 86 -1.104 16.257 -2.007 539 HE1 HIS 86 HE1 HIS 86 -3.747 19.530 -2.410 540 HE2 HIS 86 HE2 HIS 86 -1.551 18.539 -3.126 541 H ASP 87 H ASP 87 -5.525 12.909 0.250 542 HA ASP 87 HA ASP 87 -7.731 12.783 -0.156 543 HB2 ASP 87 HB2 ASP 87 -7.522 14.749 1.322 544 HB3 ASP 87 HB3 ASP 87 -7.412 15.807 -0.078 545 H GLY 88 H GLY 88 -8.134 11.865 -2.115 546 HA2 GLY 88 HA2 GLY 88 -9.367 11.955 -4.133 547 HA3 GLY 88 HA3 GLY 88 -8.768 13.579 -4.429 548 H LEU 89 H LEU 89 -5.990 12.615 -3.622 549 HA LEU 89 HA LEU 89 -5.128 11.881 -6.288 550 HB2 LEU 89 HB2 LEU 89 -3.525 12.335 -3.747 551 HB3 LEU 89 HB3 LEU 89 -2.820 12.033 -5.326 552 HG LEU 89 HG LEU 89 -4.364 14.492 -4.439 553 HD11 LEU 89 HD11 LEU 89 -2.001 14.486 -3.820 554 HD12 LEU 89 HD12 LEU 89 -2.311 15.697 -5.063 555 HD13 LEU 89 HD13 LEU 89 -1.544 14.169 -5.498 556 HD21 LEU 89 HD21 LEU 89 -5.181 13.977 -6.683 557 HD22 LEU 89 HD22 LEU 89 -3.530 13.794 -7.278 558 HD23 LEU 89 HD23 LEU 89 -4.107 15.376 -6.754 559 H THR 90 H THR 90 -3.474 10.169 -6.592 560 HA THR 90 HA THR 90 -4.297 7.677 -5.240 561 HB THR 90 HB THR 90 -3.731 8.073 -8.215 562 HG1 THR 90 HG1 THR 90 -5.968 8.501 -6.753 563 HG21 THR 90 HG21 THR 90 -3.209 5.769 -7.466 564 HG22 THR 90 HG22 THR 90 -4.647 5.788 -8.485 565 HG23 THR 90 HG23 THR 90 -4.809 5.633 -6.734 566 H VAL 91 H VAL 91 -2.692 6.397 -4.538 567 HA VAL 91 HA VAL 91 0.122 6.851 -5.317 568 HB VAL 91 HB VAL 91 -0.717 4.720 -3.302 569 HG11 VAL 91 HG11 VAL 91 1.703 6.566 -3.380 570 HG12 VAL 91 HG12 VAL 91 1.658 4.889 -3.931 571 HG13 VAL 91 HG13 VAL 91 1.423 5.261 -2.224 572 HG21 VAL 91 HG21 VAL 91 -2.021 6.663 -2.565 573 HG22 VAL 91 HG22 VAL 91 -0.567 7.658 -2.558 574 HG23 VAL 91 HG23 VAL 91 -0.716 6.314 -1.427 575 H HIS 92 H HIS 92 1.378 4.921 -6.028 576 HA HIS 92 HA HIS 92 -0.236 2.785 -7.300 577 HB2 HIS 92 HB2 HIS 92 2.729 3.463 -7.549 578 HB3 HIS 92 HB3 HIS 92 1.955 2.085 -8.332 579 HD1 HIS 92 HD1 HIS 92 0.664 2.533 -10.477 580 HD2 HIS 92 HD2 HIS 92 1.952 6.012 -8.611 581 HE1 HIS 92 HE1 HIS 92 0.252 4.375 -12.124 582 HE2 HIS 92 HE2 HIS 92 0.876 6.484 -10.906 583 H LEU 93 H LEU 93 0.247 0.563 -6.853 584 HA LEU 93 HA LEU 93 1.836 -0.047 -4.443 585 HB2 LEU 93 HB2 LEU 93 -0.521 0.284 -3.707 586 HB3 LEU 93 HB3 LEU 93 -1.055 -0.922 -4.862 587 HG LEU 93 HG LEU 93 0.214 -2.677 -3.601 588 HD11 LEU 93 HD11 LEU 93 1.965 -1.287 -2.621 589 HD12 LEU 93 HD12 LEU 93 1.134 -2.226 -1.392 590 HD13 LEU 93 HD13 LEU 93 0.786 -0.505 -1.569 591 HD21 LEU 93 HD21 LEU 93 -1.245 -2.785 -1.620 592 HD22 LEU 93 HD22 LEU 93 -2.121 -2.413 -3.097 593 HD23 LEU 93 HD23 LEU 93 -1.781 -1.130 -1.935 594 H VAL 94 H VAL 94 2.722 -2.028 -4.427 595 HA VAL 94 HA VAL 94 2.114 -3.997 -6.558 596 HB VAL 94 HB VAL 94 4.926 -3.180 -5.634 597 HG11 VAL 94 HG11 VAL 94 4.147 -5.378 -7.595 598 HG12 VAL 94 HG12 VAL 94 4.834 -5.611 -5.987 599 HG13 VAL 94 HG13 VAL 94 5.797 -4.849 -7.252 600 HG21 VAL 94 HG21 VAL 94 4.006 -1.587 -7.268 601 HG22 VAL 94 HG22 VAL 94 3.643 -2.901 -8.386 602 HG23 VAL 94 HG23 VAL 94 5.321 -2.515 -7.992 603 H ILE 95 H ILE 95 1.307 -5.685 -5.466 604 HA ILE 95 HA ILE 95 2.226 -6.265 -2.713 605 HB ILE 95 HB ILE 95 -0.235 -7.518 -4.015 606 HG12 ILE 95 HG12 ILE 95 -0.226 -4.885 -2.449 607 HG13 ILE 95 HG13 ILE 95 -0.545 -5.044 -4.172 608 HG21 ILE 95 HG21 ILE 95 0.619 -8.549 -1.944 609 HG22 ILE 95 HG22 ILE 95 -0.952 -7.802 -1.662 610 HG23 ILE 95 HG23 ILE 95 0.517 -6.996 -1.106 611 HD11 ILE 95 HD11 ILE 95 -2.600 -4.746 -2.932 612 HD12 ILE 95 HD12 ILE 95 -2.250 -6.162 -1.942 613 HD13 ILE 95 HD13 ILE 95 -2.567 -6.348 -3.670 614 H LYS 96 H LYS 96 3.268 -8.185 -2.311 615 HA LYS 96 HA LYS 96 4.018 -9.944 -4.497 616 HB2 LYS 96 HB2 LYS 96 4.716 -10.111 -1.529 617 HB3 LYS 96 HB3 LYS 96 5.431 -11.094 -2.799 618 HG2 LYS 96 HG2 LYS 96 6.360 -8.999 -3.831 619 HG3 LYS 96 HG3 LYS 96 5.740 -8.091 -2.454 620 HD2 LYS 96 HD2 LYS 96 7.815 -10.323 -2.321 621 HD3 LYS 96 HD3 LYS 96 8.155 -8.598 -2.205 622 HE2 LYS 96 HE2 LYS 96 6.816 -8.493 -0.113 623 HE3 LYS 96 HE3 LYS 96 6.526 -10.230 -0.224 624 HZ1 LYS 96 HZ1 LYS 96 8.326 -9.720 1.294 625 HZ2 LYS 96 HZ2 LYS 96 9.182 -8.935 0.062 626 HZ3 LYS 96 HZ3 LYS 96 8.906 -10.601 -0.033 627 H THR 97 H THR 97 1.381 -10.228 -4.479 628 HA THR 97 HA THR 97 1.050 -13.021 -3.858 629 HB THR 97 HB THR 97 0.286 -11.965 -1.717 630 HG1 THR 97 HG1 THR 97 -0.714 -13.846 -1.946 631 HG21 THR 97 HG21 THR 97 -2.025 -10.852 -3.350 632 HG22 THR 97 HG22 THR 97 -0.701 -9.880 -2.712 633 HG23 THR 97 HG23 THR 97 -1.797 -10.711 -1.609 634 H GLN 98 H GLN 98 -0.604 -13.999 -5.039 635 HA GLN 98 HA GLN 98 -2.445 -12.310 -6.642 636 HB2 GLN 98 HB2 GLN 98 -2.420 -14.083 -8.407 637 HB3 GLN 98 HB3 GLN 98 -0.869 -13.280 -8.215 638 HG2 GLN 98 HG2 GLN 98 0.002 -15.193 -6.956 639 HG3 GLN 98 HG3 GLN 98 -1.557 -16.005 -7.074 640 HE21 GLN 98 HE21 GLN 98 1.149 -16.777 -8.056 641 HE22 GLN 98 HE22 GLN 98 0.956 -17.077 -9.745 642 H ASN 99 H ASN 99 -1.982 -14.709 -4.316 643 HA ASN 99 HA ASN 99 -4.214 -16.427 -4.698 644 HB2 ASN 99 HB2 ASN 99 -2.605 -15.854 -2.166 645 HB3 ASN 99 HB3 ASN 99 -3.683 -17.228 -2.402 646 HD21 ASN 99 HD21 ASN 99 -2.022 -18.709 -2.043 647 HD22 ASN 99 HD22 ASN 99 -0.757 -18.994 -3.182 648 H ARG 100 H ARG 100 -3.685 -13.469 -2.926 649 HA ARG 100 HA ARG 100 -6.153 -13.322 -1.495 650 HB2 ARG 100 HB2 ARG 100 -3.897 -11.422 -2.166 651 HB3 ARG 100 HB3 ARG 100 -5.378 -10.760 -1.499 652 HG2 ARG 100 HG2 ARG 100 -3.641 -11.095 0.205 653 HG3 ARG 100 HG3 ARG 100 -5.100 -12.007 0.546 654 HD2 ARG 100 HD2 ARG 100 -2.772 -13.358 -0.815 655 HD3 ARG 100 HD3 ARG 100 -2.745 -13.097 0.932 656 HE ARG 100 HE ARG 100 -5.067 -14.469 -0.242 657 HH11 ARG 100 HH11 ARG 100 -2.171 -14.716 1.723 658 HH12 ARG 100 HH12 ARG 100 -2.587 -16.277 2.346 659 HH21 ARG 100 HH21 ARG 100 -5.613 -16.488 0.607 660 HH22 ARG 100 HH22 ARG 100 -4.548 -17.279 1.723 661 HA PRO 101 HA PRO 101 -9.097 -11.729 -4.545 662 HB2 PRO 101 HB2 PRO 101 -9.696 -9.446 -2.660 663 HB3 PRO 101 HB3 PRO 101 -10.807 -10.604 -3.406 664 HG2 PRO 101 HG2 PRO 101 -10.156 -10.838 -0.827 665 HG3 PRO 101 HG3 PRO 101 -10.301 -12.290 -1.849 666 HD2 PRO 101 HD2 PRO 101 -7.802 -10.849 -0.933 667 HD3 PRO 101 HD3 PRO 101 -8.122 -12.595 -1.027 Start of MODEL 16 1 HA PRO 23 HA PRO 23 -11.925 19.991 6.965 2 HB2 PRO 23 HB2 PRO 23 -9.556 18.797 7.902 3 HB3 PRO 23 HB3 PRO 23 -9.929 20.527 7.983 4 HG2 PRO 23 HG2 PRO 23 -10.325 18.412 10.087 5 HG3 PRO 23 HG3 PRO 23 -9.721 20.073 10.270 6 HD2 PRO 23 HD2 PRO 23 -12.247 19.476 10.942 7 HD3 PRO 23 HD3 PRO 23 -11.886 21.009 10.124 8 H LYS 24 H LYS 24 -11.194 18.457 5.370 9 HA LYS 24 HA LYS 24 -12.384 15.837 5.509 10 HB2 LYS 24 HB2 LYS 24 -12.270 17.149 3.376 11 HB3 LYS 24 HB3 LYS 24 -10.517 17.004 3.387 12 HG2 LYS 24 HG2 LYS 24 -10.816 14.491 3.292 13 HG3 LYS 24 HG3 LYS 24 -12.537 14.759 3.064 14 HD2 LYS 24 HD2 LYS 24 -10.496 15.975 1.181 15 HD3 LYS 24 HD3 LYS 24 -11.040 14.314 0.978 16 HE2 LYS 24 HE2 LYS 24 -12.315 15.777 -0.479 17 HE3 LYS 24 HE3 LYS 24 -13.368 15.112 0.765 18 HZ1 LYS 24 HZ1 LYS 24 -13.792 17.452 0.377 19 HZ2 LYS 24 HZ2 LYS 24 -12.196 17.844 0.776 20 HZ3 LYS 24 HZ3 LYS 24 -13.234 17.211 1.952 21 H ILE 25 H ILE 25 -11.335 13.853 5.508 22 HA ILE 25 HA ILE 25 -8.630 13.672 6.627 23 HB ILE 25 HB ILE 25 -10.652 12.327 7.437 24 HG12 ILE 25 HG12 ILE 25 -8.221 10.693 6.593 25 HG13 ILE 25 HG13 ILE 25 -8.277 11.755 7.994 26 HG21 ILE 25 HG21 ILE 25 -11.259 10.271 6.215 27 HG22 ILE 25 HG22 ILE 25 -10.168 10.711 4.902 28 HG23 ILE 25 HG23 ILE 25 -11.590 11.703 5.239 29 HD11 ILE 25 HD11 ILE 25 -8.541 9.470 8.650 30 HD12 ILE 25 HD12 ILE 25 -9.929 9.278 7.580 31 HD13 ILE 25 HD13 ILE 25 -10.024 10.367 8.968 32 H MET 26 H MET 26 -7.005 12.207 5.512 33 HA MET 26 HA MET 26 -6.866 12.994 2.723 34 HB2 MET 26 HB2 MET 26 -4.900 13.166 4.276 35 HB3 MET 26 HB3 MET 26 -4.838 11.411 4.377 36 HG2 MET 26 HG2 MET 26 -4.267 11.243 2.043 37 HG3 MET 26 HG3 MET 26 -4.545 12.964 1.801 38 HE1 MET 26 HE1 MET 26 -0.925 11.162 4.041 39 HE2 MET 26 HE2 MET 26 -2.094 10.211 3.116 40 HE3 MET 26 HE3 MET 26 -2.567 10.961 4.641 41 H LYS 27 H LYS 27 -7.997 11.823 1.318 42 HA LYS 27 HA LYS 27 -8.612 9.001 1.676 43 HB2 LYS 27 HB2 LYS 27 -9.360 10.718 -0.731 44 HB3 LYS 27 HB3 LYS 27 -10.190 9.292 -0.124 45 HG2 LYS 27 HG2 LYS 27 -10.082 11.976 1.299 46 HG3 LYS 27 HG3 LYS 27 -11.410 11.436 0.275 47 HD2 LYS 27 HD2 LYS 27 -10.505 10.039 2.820 48 HD3 LYS 27 HD3 LYS 27 -11.852 11.173 2.720 49 HE2 LYS 27 HE2 LYS 27 -12.923 9.618 1.036 50 HE3 LYS 27 HE3 LYS 27 -11.636 8.461 1.378 51 HZ1 LYS 27 HZ1 LYS 27 -12.355 8.459 3.707 52 HZ2 LYS 27 HZ2 LYS 27 -13.583 7.953 2.662 53 HZ3 LYS 27 HZ3 LYS 27 -13.621 9.508 3.319 54 H VAL 28 H VAL 28 -6.609 7.931 1.342 55 HA VAL 28 HA VAL 28 -5.048 8.497 -1.082 56 HB VAL 28 HB VAL 28 -4.389 6.584 1.199 57 HG11 VAL 28 HG11 VAL 28 -2.066 6.710 0.348 58 HG12 VAL 28 HG12 VAL 28 -2.614 7.714 -0.997 59 HG13 VAL 28 HG13 VAL 28 -3.173 6.047 -0.855 60 HG21 VAL 28 HG21 VAL 28 -4.618 8.883 2.041 61 HG22 VAL 28 HG22 VAL 28 -3.464 9.458 0.832 62 HG23 VAL 28 HG23 VAL 28 -2.942 8.344 2.098 63 H THR 29 H THR 29 -5.737 7.454 -2.838 64 HA THR 29 HA THR 29 -6.892 4.791 -2.768 65 HB THR 29 HB THR 29 -6.084 6.535 -5.155 66 HG1 THR 29 HG1 THR 29 -8.079 6.783 -3.392 67 HG21 THR 29 HG21 THR 29 -6.336 4.132 -5.769 68 HG22 THR 29 HG22 THR 29 -7.618 5.118 -6.475 69 HG23 THR 29 HG23 THR 29 -7.948 4.121 -5.055 70 H VAL 30 H VAL 30 -5.735 2.952 -3.019 71 HA VAL 30 HA VAL 30 -2.908 3.100 -3.896 72 HB VAL 30 HB VAL 30 -4.190 1.250 -1.835 73 HG11 VAL 30 HG11 VAL 30 -1.343 1.160 -2.896 74 HG12 VAL 30 HG12 VAL 30 -2.594 -0.059 -3.147 75 HG13 VAL 30 HG13 VAL 30 -1.957 0.226 -1.528 76 HG21 VAL 30 HG21 VAL 30 -1.966 3.317 -1.525 77 HG22 VAL 30 HG22 VAL 30 -2.605 2.284 -0.244 78 HG23 VAL 30 HG23 VAL 30 -3.638 3.505 -0.982 79 H LYS 31 H LYS 31 -2.668 2.266 -5.810 80 HA LYS 31 HA LYS 31 -4.582 0.359 -6.969 81 HB2 LYS 31 HB2 LYS 31 -4.139 2.479 -8.174 82 HB3 LYS 31 HB3 LYS 31 -2.427 2.116 -8.232 83 HG2 LYS 31 HG2 LYS 31 -4.377 0.231 -9.544 84 HG3 LYS 31 HG3 LYS 31 -3.987 1.751 -10.346 85 HD2 LYS 31 HD2 LYS 31 -1.571 1.116 -10.321 86 HD3 LYS 31 HD3 LYS 31 -1.992 -0.418 -9.556 87 HE2 LYS 31 HE2 LYS 31 -1.653 -0.756 -11.948 88 HE3 LYS 31 HE3 LYS 31 -3.356 -1.003 -11.555 89 HZ1 LYS 31 HZ1 LYS 31 -3.094 0.305 -13.556 90 HZ2 LYS 31 HZ2 LYS 31 -2.183 1.460 -12.723 91 HZ3 LYS 31 HZ3 LYS 31 -3.814 1.233 -12.341 92 H THR 32 H THR 32 -3.884 -1.609 -7.806 93 HA THR 32 HA THR 32 -1.075 -2.447 -7.437 94 HB THR 32 HB THR 32 -2.019 -4.703 -6.660 95 HG1 THR 32 HG1 THR 32 -4.380 -3.150 -6.298 96 HG21 THR 32 HG21 THR 32 -1.024 -3.161 -5.029 97 HG22 THR 32 HG22 THR 32 -2.395 -4.020 -4.328 98 HG23 THR 32 HG23 THR 32 -2.574 -2.339 -4.842 99 HA PRO 33 HA PRO 33 -1.750 -4.306 -11.557 100 HB2 PRO 33 HB2 PRO 33 -0.019 -6.408 -11.561 101 HB3 PRO 33 HB3 PRO 33 0.550 -4.732 -11.550 102 HG2 PRO 33 HG2 PRO 33 0.247 -6.644 -9.229 103 HG3 PRO 33 HG3 PRO 33 1.634 -5.615 -9.652 104 HD2 PRO 33 HD2 PRO 33 -0.182 -4.893 -7.764 105 HD3 PRO 33 HD3 PRO 33 0.635 -3.694 -8.792 106 H LYS 34 H LYS 34 -3.814 -5.016 -9.751 107 HA LYS 34 HA LYS 34 -4.673 -7.632 -10.501 108 HB2 LYS 34 HB2 LYS 34 -4.706 -8.575 -8.153 109 HB3 LYS 34 HB3 LYS 34 -3.087 -8.363 -8.804 110 HG2 LYS 34 HG2 LYS 34 -3.098 -6.109 -7.536 111 HG3 LYS 34 HG3 LYS 34 -4.484 -6.756 -6.666 112 HD2 LYS 34 HD2 LYS 34 -1.681 -7.941 -6.756 113 HD3 LYS 34 HD3 LYS 34 -2.411 -7.084 -5.394 114 HE2 LYS 34 HE2 LYS 34 -3.281 -9.759 -6.530 115 HE3 LYS 34 HE3 LYS 34 -2.479 -9.481 -4.986 116 HZ1 LYS 34 HZ1 LYS 34 -4.430 -8.244 -4.261 117 HZ2 LYS 34 HZ2 LYS 34 -4.830 -9.825 -4.697 118 HZ3 LYS 34 HZ3 LYS 34 -5.196 -8.545 -5.737 119 H GLU 35 H GLU 35 -5.016 -4.821 -8.365 120 HA GLU 35 HA GLU 35 -7.822 -4.487 -8.902 121 HB2 GLU 35 HB2 GLU 35 -8.633 -4.839 -6.569 122 HB3 GLU 35 HB3 GLU 35 -7.985 -6.329 -7.244 123 HG2 GLU 35 HG2 GLU 35 -5.831 -5.856 -6.016 124 HG3 GLU 35 HG3 GLU 35 -6.633 -4.501 -5.236 125 H LYS 36 H LYS 36 -8.544 -2.780 -6.851 126 HA LYS 36 HA LYS 36 -6.308 -1.245 -5.848 127 HB2 LYS 36 HB2 LYS 36 -6.999 0.953 -6.647 128 HB3 LYS 36 HB3 LYS 36 -6.717 -0.096 -8.031 129 HG2 LYS 36 HG2 LYS 36 -9.116 -0.364 -8.380 130 HG3 LYS 36 HG3 LYS 36 -9.467 0.538 -6.907 131 HD2 LYS 36 HD2 LYS 36 -9.815 1.990 -8.843 132 HD3 LYS 36 HD3 LYS 36 -8.434 2.569 -7.910 133 HE2 LYS 36 HE2 LYS 36 -7.967 2.683 -10.308 134 HE3 LYS 36 HE3 LYS 36 -6.900 1.505 -9.545 135 HZ1 LYS 36 HZ1 LYS 36 -9.388 0.853 -11.034 136 HZ2 LYS 36 HZ2 LYS 36 -8.321 -0.262 -10.337 137 HZ3 LYS 36 HZ3 LYS 36 -7.812 0.699 -11.631 138 H GLU 37 H GLU 37 -6.848 0.029 -4.079 139 HA GLU 37 HA GLU 37 -9.594 -0.050 -3.006 140 HB2 GLU 37 HB2 GLU 37 -7.021 -0.876 -1.584 141 HB3 GLU 37 HB3 GLU 37 -8.472 -0.430 -0.699 142 HG2 GLU 37 HG2 GLU 37 -8.260 -2.734 -2.663 143 HG3 GLU 37 HG3 GLU 37 -8.205 -2.876 -0.907 144 H GLU 38 H GLU 38 -9.451 1.392 -0.832 145 HA GLU 38 HA GLU 38 -7.688 3.714 -1.139 146 HB2 GLU 38 HB2 GLU 38 -9.809 4.317 -2.314 147 HB3 GLU 38 HB3 GLU 38 -10.716 3.962 -0.847 148 HG2 GLU 38 HG2 GLU 38 -9.453 5.789 0.322 149 HG3 GLU 38 HG3 GLU 38 -8.661 6.169 -1.204 150 H PHE 39 H PHE 39 -7.293 4.787 0.802 151 HA PHE 39 HA PHE 39 -8.269 3.596 3.314 152 HB2 PHE 39 HB2 PHE 39 -5.335 4.223 2.712 153 HB3 PHE 39 HB3 PHE 39 -5.978 3.582 4.223 154 HD1 PHE 39 HD1 PHE 39 -6.948 1.241 4.253 155 HD2 PHE 39 HD2 PHE 39 -4.828 2.775 0.873 156 HE1 PHE 39 HE1 PHE 39 -6.695 -1.037 3.370 157 HE2 PHE 39 HE2 PHE 39 -4.591 0.491 -0.008 158 HZ PHE 39 HZ PHE 39 -5.526 -1.416 1.239 159 H ALA 40 H ALA 40 -9.116 5.199 4.461 160 HA ALA 40 HA ALA 40 -8.444 8.006 3.978 161 HB1 ALA 40 HB1 ALA 40 -10.799 7.336 4.119 162 HB2 ALA 40 HB2 ALA 40 -10.390 8.438 5.435 163 HB3 ALA 40 HB3 ALA 40 -10.539 6.708 5.748 164 H VAL 41 H VAL 41 -6.858 8.912 5.142 165 HA VAL 41 HA VAL 41 -6.138 7.920 7.835 166 HB VAL 41 HB VAL 41 -3.701 8.006 7.188 167 HG11 VAL 41 HG11 VAL 41 -3.644 5.839 6.020 168 HG12 VAL 41 HG12 VAL 41 -5.344 6.011 5.582 169 HG13 VAL 41 HG13 VAL 41 -4.881 5.842 7.278 170 HG21 VAL 41 HG21 VAL 41 -3.058 7.942 4.795 171 HG22 VAL 41 HG22 VAL 41 -3.833 9.470 5.212 172 HG23 VAL 41 HG23 VAL 41 -4.736 8.236 4.333 173 HA PRO 42 HA PRO 42 -6.195 12.297 8.591 174 HB2 PRO 42 HB2 PRO 42 -5.282 12.398 11.110 175 HB3 PRO 42 HB3 PRO 42 -6.719 11.437 10.727 176 HG2 PRO 42 HG2 PRO 42 -3.855 10.502 11.030 177 HG3 PRO 42 HG3 PRO 42 -5.321 9.850 11.801 178 HD2 PRO 42 HD2 PRO 42 -4.238 8.778 9.519 179 HD3 PRO 42 HD3 PRO 42 -5.978 8.712 9.875 180 H GLU 43 H GLU 43 -3.967 11.695 6.922 181 HA GLU 43 HA GLU 43 -1.853 12.105 6.263 182 HB2 GLU 43 HB2 GLU 43 -1.271 14.442 6.071 183 HB3 GLU 43 HB3 GLU 43 -3.007 14.266 5.865 184 HG2 GLU 43 HG2 GLU 43 -3.361 15.072 8.176 185 HG3 GLU 43 HG3 GLU 43 -1.621 15.242 8.380 186 H ASN 44 H ASN 44 -2.049 11.202 9.154 187 HA ASN 44 HA ASN 44 0.601 12.066 10.137 188 HB2 ASN 44 HB2 ASN 44 -1.307 12.643 11.639 189 HB3 ASN 44 HB3 ASN 44 -1.778 10.947 11.705 190 HD21 ASN 44 HD21 ASN 44 -0.531 9.517 12.984 191 HD22 ASN 44 HD22 ASN 44 0.633 10.080 14.129 192 H SER 45 H SER 45 -1.426 9.446 9.122 193 HA SER 45 HA SER 45 -0.040 7.196 10.034 194 HB2 SER 45 HB2 SER 45 -1.541 7.534 7.393 195 HB3 SER 45 HB3 SER 45 -1.225 6.011 8.239 196 HG SER 45 HG SER 45 -2.422 7.178 10.054 197 H SER 46 H SER 46 2.196 7.393 9.822 198 HA SER 46 HA SER 46 3.584 7.921 7.391 199 HB2 SER 46 HB2 SER 46 5.526 6.874 8.617 200 HB3 SER 46 HB3 SER 46 4.718 8.148 9.532 201 HG SER 46 HG SER 46 5.204 6.156 10.695 202 H VAL 47 H VAL 47 5.019 6.147 6.338 203 HA VAL 47 HA VAL 47 3.341 4.264 5.098 204 HB VAL 47 HB VAL 47 6.380 4.356 5.233 205 HG11 VAL 47 HG11 VAL 47 6.396 2.977 3.167 206 HG12 VAL 47 HG12 VAL 47 4.654 2.752 3.317 207 HG13 VAL 47 HG13 VAL 47 5.733 2.105 4.549 208 HG21 VAL 47 HG21 VAL 47 5.413 6.394 4.278 209 HG22 VAL 47 HG22 VAL 47 4.460 5.446 3.133 210 HG23 VAL 47 HG23 VAL 47 6.222 5.465 3.016 211 H GLN 48 H GLN 48 5.541 3.878 7.851 212 HA GLN 48 HA GLN 48 5.410 1.100 8.248 213 HB2 GLN 48 HB2 GLN 48 7.030 2.711 9.308 214 HB3 GLN 48 HB3 GLN 48 5.742 3.277 10.353 215 HG2 GLN 48 HG2 GLN 48 7.170 1.759 11.576 216 HG3 GLN 48 HG3 GLN 48 5.588 1.009 11.358 217 HE21 GLN 48 HE21 GLN 48 6.518 -1.051 11.724 218 HE22 GLN 48 HE22 GLN 48 7.494 -1.839 10.535 219 H GLN 49 H GLN 49 3.183 3.674 9.187 220 HA GLN 49 HA GLN 49 1.459 1.873 10.754 221 HB2 GLN 49 HB2 GLN 49 1.182 4.852 10.176 222 HB3 GLN 49 HB3 GLN 49 0.175 3.931 11.291 223 HG2 GLN 49 HG2 GLN 49 2.156 3.490 12.706 224 HG3 GLN 49 HG3 GLN 49 3.158 4.431 11.599 225 HE21 GLN 49 HE21 GLN 49 2.861 6.710 11.531 226 HE22 GLN 49 HE22 GLN 49 2.058 7.568 12.792 227 H PHE 50 H PHE 50 1.734 3.032 7.548 228 HA PHE 50 HA PHE 50 -1.125 3.144 6.954 229 HB2 PHE 50 HB2 PHE 50 0.363 4.901 6.056 230 HB3 PHE 50 HB3 PHE 50 1.306 3.687 5.201 231 HD1 PHE 50 HD1 PHE 50 -2.198 4.994 5.461 232 HD2 PHE 50 HD2 PHE 50 0.763 3.234 2.943 233 HE1 PHE 50 HE1 PHE 50 -3.699 5.224 3.528 234 HE2 PHE 50 HE2 PHE 50 -0.741 3.464 1.014 235 HZ PHE 50 HZ PHE 50 -2.974 4.459 1.305 236 H LYS 51 H LYS 51 1.714 1.207 6.059 237 HA LYS 51 HA LYS 51 0.316 -0.448 4.208 238 HB2 LYS 51 HB2 LYS 51 2.326 -1.380 3.690 239 HB3 LYS 51 HB3 LYS 51 2.913 0.065 4.477 240 HG2 LYS 51 HG2 LYS 51 2.797 -2.714 5.678 241 HG3 LYS 51 HG3 LYS 51 4.232 -1.900 5.068 242 HD2 LYS 51 HD2 LYS 51 3.751 -0.111 6.889 243 HD3 LYS 51 HD3 LYS 51 2.644 -1.297 7.580 244 HE2 LYS 51 HE2 LYS 51 4.694 -2.926 7.484 245 HE3 LYS 51 HE3 LYS 51 5.644 -1.450 7.287 246 HZ1 LYS 51 HZ1 LYS 51 5.513 -2.172 9.587 247 HZ2 LYS 51 HZ2 LYS 51 3.834 -2.018 9.557 248 HZ3 LYS 51 HZ3 LYS 51 4.802 -0.657 9.374 249 H GLU 52 H GLU 52 0.521 -0.441 7.597 250 HA GLU 52 HA GLU 52 -0.282 -3.024 8.340 251 HB2 GLU 52 HB2 GLU 52 -1.058 -0.335 9.553 252 HB3 GLU 52 HB3 GLU 52 -1.222 -1.887 10.364 253 HG2 GLU 52 HG2 GLU 52 1.428 -0.743 9.444 254 HG3 GLU 52 HG3 GLU 52 0.762 -0.490 11.056 255 H GLU 53 H GLU 53 -2.226 -0.140 7.481 256 HA GLU 53 HA GLU 53 -4.797 -1.313 7.662 257 HB2 GLU 53 HB2 GLU 53 -3.853 1.086 6.025 258 HB3 GLU 53 HB3 GLU 53 -5.547 0.657 6.260 259 HG2 GLU 53 HG2 GLU 53 -3.590 1.452 8.441 260 HG3 GLU 53 HG3 GLU 53 -4.861 2.472 7.764 261 H ILE 54 H ILE 54 -2.438 -1.153 5.102 262 HA ILE 54 HA ILE 54 -4.006 -2.121 2.949 263 HB ILE 54 HB ILE 54 -0.990 -2.145 3.398 264 HG12 ILE 54 HG12 ILE 54 -2.753 -0.223 1.795 265 HG13 ILE 54 HG13 ILE 54 -1.980 0.132 3.336 266 HG21 ILE 54 HG21 ILE 54 -0.750 -2.494 0.961 267 HG22 ILE 54 HG22 ILE 54 -2.498 -2.666 0.815 268 HG23 ILE 54 HG23 ILE 54 -1.571 -3.848 1.734 269 HD11 ILE 54 HD11 ILE 54 0.216 -0.063 2.277 270 HD12 ILE 54 HD12 ILE 54 -0.795 1.150 1.490 271 HD13 ILE 54 HD13 ILE 54 -0.562 -0.426 0.730 272 H SER 55 H SER 55 -1.998 -3.783 5.407 273 HA SER 55 HA SER 55 -1.710 -6.240 4.035 274 HB2 SER 55 HB2 SER 55 -0.943 -7.154 6.230 275 HB3 SER 55 HB3 SER 55 -0.166 -5.630 5.805 276 HG SER 55 HG SER 55 -1.031 -4.729 7.487 277 H LYS 56 H LYS 56 -3.909 -5.370 6.718 278 HA LYS 56 HA LYS 56 -5.371 -7.793 6.800 279 HB2 LYS 56 HB2 LYS 56 -7.050 -6.512 8.096 280 HB3 LYS 56 HB3 LYS 56 -5.418 -6.151 8.647 281 HG2 LYS 56 HG2 LYS 56 -5.443 -4.041 7.349 282 HG3 LYS 56 HG3 LYS 56 -7.086 -4.393 6.814 283 HD2 LYS 56 HD2 LYS 56 -7.829 -4.324 9.215 284 HD3 LYS 56 HD3 LYS 56 -6.191 -3.849 9.676 285 HE2 LYS 56 HE2 LYS 56 -6.437 -1.842 8.150 286 HE3 LYS 56 HE3 LYS 56 -8.129 -2.286 7.933 287 HZ1 LYS 56 HZ1 LYS 56 -7.776 -0.576 9.628 288 HZ2 LYS 56 HZ2 LYS 56 -6.861 -1.665 10.540 289 HZ3 LYS 56 HZ3 LYS 56 -8.504 -1.966 10.266 290 H ARG 57 H ARG 57 -5.714 -4.890 4.841 291 HA ARG 57 HA ARG 57 -8.316 -5.280 3.806 292 HB2 ARG 57 HB2 ARG 57 -7.086 -3.115 3.748 293 HB3 ARG 57 HB3 ARG 57 -5.939 -3.795 2.603 294 HG2 ARG 57 HG2 ARG 57 -7.449 -2.432 1.361 295 HG3 ARG 57 HG3 ARG 57 -7.853 -4.109 0.986 296 HD2 ARG 57 HD2 ARG 57 -9.893 -2.849 1.318 297 HD3 ARG 57 HD3 ARG 57 -9.711 -3.987 2.647 298 HE ARG 57 HE ARG 57 -8.780 -2.016 3.939 299 HH11 ARG 57 HH11 ARG 57 -11.086 -1.526 1.350 300 HH12 ARG 57 HH12 ARG 57 -11.752 -0.089 2.049 301 HH21 ARG 57 HH21 ARG 57 -9.647 -0.104 4.847 302 HH22 ARG 57 HH22 ARG 57 -10.934 0.724 4.026 303 H PHE 58 H PHE 58 -5.119 -6.044 2.483 304 HA PHE 58 HA PHE 58 -6.236 -7.432 0.164 305 HB2 PHE 58 HB2 PHE 58 -3.430 -6.524 0.903 306 HB3 PHE 58 HB3 PHE 58 -3.731 -7.580 -0.471 307 HD1 PHE 58 HD1 PHE 58 -4.491 -4.172 0.899 308 HD2 PHE 58 HD2 PHE 58 -4.454 -6.691 -2.560 309 HE1 PHE 58 HE1 PHE 58 -4.892 -2.215 -0.540 310 HE2 PHE 58 HE2 PHE 58 -4.847 -4.740 -3.992 311 HZ PHE 58 HZ PHE 58 -5.074 -2.492 -2.988 312 H LYS 59 H LYS 59 -5.636 -8.322 3.283 313 HA LYS 59 HA LYS 59 -5.321 -10.284 4.387 314 HB2 LYS 59 HB2 LYS 59 -6.064 -11.508 1.697 315 HB3 LYS 59 HB3 LYS 59 -6.126 -12.341 3.245 316 HG2 LYS 59 HG2 LYS 59 -7.785 -9.891 2.581 317 HG3 LYS 59 HG3 LYS 59 -8.346 -11.547 2.359 318 HD2 LYS 59 HD2 LYS 59 -8.101 -11.962 4.780 319 HD3 LYS 59 HD3 LYS 59 -7.526 -10.306 5.010 320 HE2 LYS 59 HE2 LYS 59 -9.926 -10.567 5.600 321 HE3 LYS 59 HE3 LYS 59 -9.685 -9.418 4.280 322 HZ1 LYS 59 HZ1 LYS 59 -10.285 -11.181 2.712 323 HZ2 LYS 59 HZ2 LYS 59 -11.530 -10.879 3.813 324 HZ3 LYS 59 HZ3 LYS 59 -10.558 -12.245 3.997 325 H SER 60 H SER 60 -3.063 -9.053 3.177 326 HA SER 60 HA SER 60 -1.212 -11.297 2.625 327 HB2 SER 60 HB2 SER 60 -1.053 -8.432 1.588 328 HB3 SER 60 HB3 SER 60 0.050 -9.752 1.190 329 HG SER 60 HG SER 60 -2.703 -10.034 0.699 330 H HIS 61 H HIS 61 0.925 -11.044 3.524 331 HA HIS 61 HA HIS 61 1.024 -9.690 6.068 332 HB2 HIS 61 HB2 HIS 61 3.226 -11.138 4.534 333 HB3 HIS 61 HB3 HIS 61 3.349 -10.591 6.200 334 HD1 HIS 61 HD1 HIS 61 2.465 -12.133 7.974 335 HD2 HIS 61 HD2 HIS 61 1.344 -13.316 4.159 336 HE1 HIS 61 HE1 HIS 61 1.383 -14.372 8.261 337 HE2 HIS 61 HE2 HIS 61 0.608 -15.017 5.954 338 H THR 62 H THR 62 2.275 -7.873 6.639 339 HA THR 62 HA THR 62 2.391 -5.735 4.833 340 HB THR 62 HB THR 62 3.927 -4.646 6.639 341 HG1 THR 62 HG1 THR 62 4.484 -5.836 8.316 342 HG21 THR 62 HG21 THR 62 1.248 -5.742 7.553 343 HG22 THR 62 HG22 THR 62 1.478 -4.280 6.595 344 HG23 THR 62 HG23 THR 62 2.098 -4.354 8.242 345 H ASP 63 H ASP 63 4.927 -7.933 5.916 346 HA ASP 63 HA ASP 63 7.183 -6.727 4.795 347 HB2 ASP 63 HB2 ASP 63 7.217 -8.611 6.438 348 HB3 ASP 63 HB3 ASP 63 6.638 -9.704 5.186 349 H GLN 64 H GLN 64 4.763 -8.840 3.326 350 HA GLN 64 HA GLN 64 6.213 -9.495 0.947 351 HB2 GLN 64 HB2 GLN 64 3.221 -9.638 1.475 352 HB3 GLN 64 HB3 GLN 64 4.071 -10.431 0.149 353 HG2 GLN 64 HG2 GLN 64 5.311 -11.811 1.778 354 HG3 GLN 64 HG3 GLN 64 4.455 -11.014 3.097 355 HE21 GLN 64 HE21 GLN 64 1.871 -10.992 1.639 356 HE22 GLN 64 HE22 GLN 64 1.306 -12.622 1.666 357 H LEU 65 H LEU 65 4.129 -6.837 1.841 358 HA LEU 65 HA LEU 65 3.832 -5.972 -0.975 359 HB2 LEU 65 HB2 LEU 65 1.946 -4.567 -0.120 360 HB3 LEU 65 HB3 LEU 65 1.721 -6.286 0.052 361 HG LEU 65 HG LEU 65 2.601 -5.797 2.551 362 HD11 LEU 65 HD11 LEU 65 1.312 -3.155 1.812 363 HD12 LEU 65 HD12 LEU 65 3.004 -3.410 2.251 364 HD13 LEU 65 HD13 LEU 65 1.737 -3.688 3.443 365 HD21 LEU 65 HD21 LEU 65 -0.253 -5.318 1.642 366 HD22 LEU 65 HD22 LEU 65 0.260 -5.678 3.292 367 HD23 LEU 65 HD23 LEU 65 0.482 -6.878 2.024 368 H VAL 66 H VAL 66 4.605 -4.060 -1.684 369 HA VAL 66 HA VAL 66 5.912 -2.184 0.194 370 HB VAL 66 HB VAL 66 7.795 -1.879 -1.471 371 HG11 VAL 66 HG11 VAL 66 9.074 -3.898 -0.812 372 HG12 VAL 66 HG12 VAL 66 7.581 -4.674 -0.281 373 HG13 VAL 66 HG13 VAL 66 8.167 -3.233 0.548 374 HG21 VAL 66 HG21 VAL 66 8.220 -3.641 -3.164 375 HG22 VAL 66 HG22 VAL 66 6.704 -2.802 -3.483 376 HG23 VAL 66 HG23 VAL 66 6.683 -4.410 -2.758 377 H LEU 67 H LEU 67 5.618 -0.084 -0.254 378 HA LEU 67 HA LEU 67 3.779 0.709 -2.370 379 HB2 LEU 67 HB2 LEU 67 5.040 2.225 -0.048 380 HB3 LEU 67 HB3 LEU 67 3.956 2.972 -1.218 381 HG LEU 67 HG LEU 67 3.169 0.661 0.607 382 HD11 LEU 67 HD11 LEU 67 1.903 2.281 1.901 383 HD12 LEU 67 HD12 LEU 67 2.476 3.594 0.875 384 HD13 LEU 67 HD13 LEU 67 3.609 2.709 1.890 385 HD21 LEU 67 HD21 LEU 67 0.871 1.142 -0.111 386 HD22 LEU 67 HD22 LEU 67 1.866 0.716 -1.497 387 HD23 LEU 67 HD23 LEU 67 1.445 2.405 -1.198 388 H ILE 68 H ILE 68 4.307 2.019 -4.056 389 HA ILE 68 HA ILE 68 7.039 3.066 -4.392 390 HB ILE 68 HB ILE 68 5.509 1.540 -6.571 391 HG12 ILE 68 HG12 ILE 68 7.854 0.250 -6.620 392 HG13 ILE 68 HG13 ILE 68 7.985 0.828 -4.971 393 HG21 ILE 68 HG21 ILE 68 8.116 3.083 -6.841 394 HG22 ILE 68 HG22 ILE 68 6.566 3.488 -7.580 395 HG23 ILE 68 HG23 ILE 68 7.425 2.034 -8.084 396 HD11 ILE 68 HD11 ILE 68 5.794 -0.931 -6.066 397 HD12 ILE 68 HD12 ILE 68 5.913 -0.349 -4.404 398 HD13 ILE 68 HD13 ILE 68 7.143 -1.434 -5.047 399 H PHE 69 H PHE 69 7.038 5.085 -5.185 400 HA PHE 69 HA PHE 69 4.906 6.161 -6.820 401 HB2 PHE 69 HB2 PHE 69 4.151 6.540 -4.420 402 HB3 PHE 69 HB3 PHE 69 5.587 7.524 -4.173 403 HD1 PHE 69 HD1 PHE 69 2.341 7.307 -5.950 404 HD2 PHE 69 HD2 PHE 69 5.679 9.820 -5.015 405 HE1 PHE 69 HE1 PHE 69 1.095 9.268 -6.753 406 HE2 PHE 69 HE2 PHE 69 4.421 11.771 -5.820 407 HZ PHE 69 HZ PHE 69 2.134 11.497 -6.689 408 H ALA 70 H ALA 70 5.665 7.756 -8.134 409 HA ALA 70 HA ALA 70 7.073 9.012 -9.350 410 HB1 ALA 70 HB1 ALA 70 8.705 10.440 -8.217 411 HB2 ALA 70 HB2 ALA 70 8.582 9.462 -6.752 412 HB3 ALA 70 HB3 ALA 70 7.195 10.395 -7.310 413 H GLY 71 H GLY 71 7.699 6.064 -8.683 414 HA2 GLY 71 HA2 GLY 71 9.096 4.691 -10.003 415 HA3 GLY 71 HA3 GLY 71 10.286 5.978 -10.103 416 H LYS 72 H LYS 72 9.451 5.911 -6.895 417 HA LYS 72 HA LYS 72 11.632 4.003 -6.217 418 HB2 LYS 72 HB2 LYS 72 12.471 5.584 -4.542 419 HB3 LYS 72 HB3 LYS 72 12.477 6.316 -6.135 420 HG2 LYS 72 HG2 LYS 72 11.638 8.099 -4.950 421 HG3 LYS 72 HG3 LYS 72 10.114 7.292 -5.302 422 HD2 LYS 72 HD2 LYS 72 10.183 7.994 -2.947 423 HD3 LYS 72 HD3 LYS 72 10.165 6.231 -3.047 424 HE2 LYS 72 HE2 LYS 72 12.606 6.182 -2.689 425 HE3 LYS 72 HE3 LYS 72 12.636 7.944 -2.591 426 HZ1 LYS 72 HZ1 LYS 72 11.211 6.111 -0.744 427 HZ2 LYS 72 HZ2 LYS 72 11.208 7.795 -0.636 428 HZ3 LYS 72 HZ3 LYS 72 12.647 6.939 -0.414 429 H ILE 73 H ILE 73 11.541 3.112 -4.064 430 HA ILE 73 HA ILE 73 8.829 2.479 -3.240 431 HB ILE 73 HB ILE 73 9.702 0.804 -1.742 432 HG12 ILE 73 HG12 ILE 73 11.678 2.044 -0.784 433 HG13 ILE 73 HG13 ILE 73 12.058 0.390 -1.231 434 HG21 ILE 73 HG21 ILE 73 11.253 0.756 -4.347 435 HG22 ILE 73 HG22 ILE 73 9.613 0.167 -4.083 436 HG23 ILE 73 HG23 ILE 73 10.974 -0.640 -3.305 437 HD11 ILE 73 HD11 ILE 73 13.866 1.878 -1.785 438 HD12 ILE 73 HD12 ILE 73 12.795 2.869 -2.776 439 HD13 ILE 73 HD13 ILE 73 13.169 1.213 -3.261 440 H LEU 74 H LEU 74 7.807 3.063 -1.379 441 HA LEU 74 HA LEU 74 8.768 5.466 -0.027 442 HB2 LEU 74 HB2 LEU 74 6.065 4.110 0.311 443 HB3 LEU 74 HB3 LEU 74 6.499 5.759 0.737 444 HG LEU 74 HG LEU 74 6.122 4.618 -2.054 445 HD11 LEU 74 HD11 LEU 74 4.300 6.262 -2.223 446 HD12 LEU 74 HD12 LEU 74 4.608 6.788 -0.566 447 HD13 LEU 74 HD13 LEU 74 4.041 5.147 -0.881 448 HD21 LEU 74 HD21 LEU 74 8.033 6.137 -2.165 449 HD22 LEU 74 HD22 LEU 74 7.132 7.391 -1.313 450 HD23 LEU 74 HD23 LEU 74 6.635 6.889 -2.927 451 H LYS 75 H LYS 75 9.407 5.528 2.050 452 HA LYS 75 HA LYS 75 9.105 3.119 3.763 453 HB2 LYS 75 HB2 LYS 75 11.514 4.991 3.665 454 HB3 LYS 75 HB3 LYS 75 11.345 3.571 4.692 455 HG2 LYS 75 HG2 LYS 75 11.562 3.576 1.658 456 HG3 LYS 75 HG3 LYS 75 12.824 3.107 2.796 457 HD2 LYS 75 HD2 LYS 75 10.164 1.682 2.410 458 HD3 LYS 75 HD3 LYS 75 11.721 1.138 1.783 459 HE2 LYS 75 HE2 LYS 75 12.554 0.916 4.111 460 HE3 LYS 75 HE3 LYS 75 10.971 1.415 4.715 461 HZ1 LYS 75 HZ1 LYS 75 11.252 -0.990 4.714 462 HZ2 LYS 75 HZ2 LYS 75 11.484 -0.978 3.040 463 HZ3 LYS 75 HZ3 LYS 75 9.994 -0.512 3.689 464 H ASP 76 H ASP 76 9.420 3.714 6.136 465 HA ASP 76 HA ASP 76 7.408 5.395 7.034 466 HB2 ASP 76 HB2 ASP 76 8.312 3.650 8.455 467 HB3 ASP 76 HB3 ASP 76 9.909 4.384 8.447 468 H GLN 77 H GLN 77 10.834 6.116 6.594 469 HA GLN 77 HA GLN 77 10.929 8.602 7.968 470 HB2 GLN 77 HB2 GLN 77 13.151 8.861 6.916 471 HB3 GLN 77 HB3 GLN 77 12.941 7.243 7.575 472 HG2 GLN 77 HG2 GLN 77 12.447 6.399 5.290 473 HG3 GLN 77 HG3 GLN 77 12.724 8.015 4.647 474 HE21 GLN 77 HE21 GLN 77 14.435 7.377 3.338 475 HE22 GLN 77 HE22 GLN 77 15.972 6.907 3.963 476 H ASP 78 H ASP 78 9.969 7.728 4.740 477 HA ASP 78 HA ASP 78 9.473 10.563 4.039 478 HB2 ASP 78 HB2 ASP 78 9.738 9.884 1.629 479 HB3 ASP 78 HB3 ASP 78 11.214 9.842 2.576 480 H THR 79 H THR 79 7.470 10.594 4.821 481 HA THR 79 HA THR 79 5.510 8.557 4.593 482 HB THR 79 HB THR 79 3.917 10.274 5.491 483 HG1 THR 79 HG1 THR 79 6.027 12.124 5.749 484 HG21 THR 79 HG21 THR 79 5.375 8.990 7.038 485 HG22 THR 79 HG22 THR 79 5.026 10.607 7.653 486 HG23 THR 79 HG23 THR 79 6.595 10.259 6.924 487 H LEU 80 H LEU 80 3.713 8.446 3.326 488 HA LEU 80 HA LEU 80 3.720 9.022 0.662 489 HB2 LEU 80 HB2 LEU 80 1.313 8.520 0.615 490 HB3 LEU 80 HB3 LEU 80 2.206 7.367 1.579 491 HG LEU 80 HG LEU 80 0.391 9.566 2.689 492 HD11 LEU 80 HD11 LEU 80 -0.872 7.795 1.563 493 HD12 LEU 80 HD12 LEU 80 -1.138 7.770 3.303 494 HD13 LEU 80 HD13 LEU 80 -0.070 6.576 2.557 495 HD21 LEU 80 HD21 LEU 80 0.630 8.463 4.863 496 HD22 LEU 80 HD22 LEU 80 2.167 9.093 4.275 497 HD23 LEU 80 HD23 LEU 80 1.833 7.363 4.175 498 H SER 81 H SER 81 2.148 10.948 3.193 499 HA SER 81 HA SER 81 1.030 12.969 1.617 500 HB2 SER 81 HB2 SER 81 0.983 14.185 3.860 501 HB3 SER 81 HB3 SER 81 0.277 12.567 3.848 502 HG SER 81 HG SER 81 2.012 13.352 5.522 503 H GLN 82 H GLN 82 4.248 12.709 3.085 504 HA GLN 82 HA GLN 82 5.275 15.276 2.441 505 HB2 GLN 82 HB2 GLN 82 6.298 13.680 4.095 506 HB3 GLN 82 HB3 GLN 82 6.802 12.647 2.768 507 HG2 GLN 82 HG2 GLN 82 8.692 13.942 3.579 508 HG3 GLN 82 HG3 GLN 82 8.292 14.446 1.937 509 HE21 GLN 82 HE21 GLN 82 7.494 16.541 1.601 510 HE22 GLN 82 HE22 GLN 82 7.533 17.762 2.822 511 H HIS 83 H HIS 83 4.862 12.367 0.507 512 HA HIS 83 HA HIS 83 6.477 13.293 -1.748 513 HB2 HIS 83 HB2 HIS 83 4.559 10.930 -1.512 514 HB3 HIS 83 HB3 HIS 83 5.553 11.269 -2.930 515 HD1 HIS 83 HD1 HIS 83 8.218 11.163 -2.494 516 HD2 HIS 83 HD2 HIS 83 5.787 9.418 0.379 517 HE1 HIS 83 HE1 HIS 83 9.725 9.701 -1.120 518 HE2 HIS 83 HE2 HIS 83 8.209 8.585 0.549 519 H GLY 84 H GLY 84 3.519 14.195 -0.572 520 HA2 GLY 84 HA2 GLY 84 1.944 15.624 -1.475 521 HA3 GLY 84 HA3 GLY 84 2.631 15.382 -3.076 522 H ILE 85 H ILE 85 1.855 12.566 -1.208 523 HA ILE 85 HA ILE 85 -0.334 11.851 -3.018 524 HB ILE 85 HB ILE 85 0.813 10.229 -0.698 525 HG12 ILE 85 HG12 ILE 85 1.497 9.878 -3.657 526 HG13 ILE 85 HG13 ILE 85 2.510 10.776 -2.531 527 HG21 ILE 85 HG21 ILE 85 -0.272 8.296 -1.813 528 HG22 ILE 85 HG22 ILE 85 -0.952 9.373 -3.035 529 HG23 ILE 85 HG23 ILE 85 -1.452 9.521 -1.348 530 HD11 ILE 85 HD11 ILE 85 2.839 8.767 -1.206 531 HD12 ILE 85 HD12 ILE 85 3.335 8.538 -2.879 532 HD13 ILE 85 HD13 ILE 85 1.814 7.859 -2.317 533 H HIS 86 H HIS 86 -2.147 12.868 -2.501 534 HA HIS 86 HA HIS 86 -3.164 12.838 0.268 535 HB2 HIS 86 HB2 HIS 86 -3.323 15.163 -1.714 536 HB3 HIS 86 HB3 HIS 86 -4.138 15.112 -0.151 537 HD1 HIS 86 HD1 HIS 86 -2.369 14.719 1.957 538 HD2 HIS 86 HD2 HIS 86 -0.848 16.304 -1.565 539 HE1 HIS 86 HE1 HIS 86 -0.140 15.693 2.561 540 HE2 HIS 86 HE2 HIS 86 0.824 16.502 0.381 541 H ASP 87 H ASP 87 -5.670 14.019 -0.336 542 HA ASP 87 HA ASP 87 -7.177 11.822 -1.199 543 HB2 ASP 87 HB2 ASP 87 -9.144 13.251 -1.035 544 HB3 ASP 87 HB3 ASP 87 -8.069 13.568 0.319 545 H GLY 88 H GLY 88 -7.680 11.087 -3.169 546 HA2 GLY 88 HA2 GLY 88 -8.333 11.219 -5.439 547 HA3 GLY 88 HA3 GLY 88 -7.695 12.853 -5.535 548 H LEU 89 H LEU 89 -5.163 11.688 -4.121 549 HA LEU 89 HA LEU 89 -3.744 10.967 -6.572 550 HB2 LEU 89 HB2 LEU 89 -2.787 11.464 -3.725 551 HB3 LEU 89 HB3 LEU 89 -1.712 10.904 -4.991 552 HG LEU 89 HG LEU 89 -1.403 13.287 -4.681 553 HD11 LEU 89 HD11 LEU 89 -1.771 14.115 -6.954 554 HD12 LEU 89 HD12 LEU 89 -2.864 12.770 -7.286 555 HD13 LEU 89 HD13 LEU 89 -1.156 12.465 -6.959 556 HD21 LEU 89 HD21 LEU 89 -4.359 13.650 -5.247 557 HD22 LEU 89 HD22 LEU 89 -3.177 14.943 -5.031 558 HD23 LEU 89 HD23 LEU 89 -3.555 13.868 -3.689 559 H THR 90 H THR 90 -2.164 9.104 -6.465 560 HA THR 90 HA THR 90 -3.281 6.756 -5.098 561 HB THR 90 HB THR 90 -2.840 6.885 -8.113 562 HG1 THR 90 HG1 THR 90 -5.053 7.365 -6.487 563 HG21 THR 90 HG21 THR 90 -4.030 4.681 -6.383 564 HG22 THR 90 HG22 THR 90 -2.466 4.614 -7.199 565 HG23 THR 90 HG23 THR 90 -3.952 4.674 -8.149 566 H VAL 91 H VAL 91 -1.823 5.289 -4.488 567 HA VAL 91 HA VAL 91 1.029 5.596 -5.201 568 HB VAL 91 HB VAL 91 -0.056 3.684 -3.086 569 HG11 VAL 91 HG11 VAL 91 2.181 3.982 -2.056 570 HG12 VAL 91 HG12 VAL 91 2.635 5.071 -3.370 571 HG13 VAL 91 HG13 VAL 91 2.289 3.375 -3.711 572 HG21 VAL 91 HG21 VAL 91 -1.011 5.827 -2.470 573 HG22 VAL 91 HG22 VAL 91 0.554 6.616 -2.630 574 HG23 VAL 91 HG23 VAL 91 0.295 5.429 -1.351 575 H HIS 92 H HIS 92 2.212 3.798 -5.975 576 HA HIS 92 HA HIS 92 0.666 1.601 -7.207 577 HB2 HIS 92 HB2 HIS 92 3.584 2.418 -7.628 578 HB3 HIS 92 HB3 HIS 92 2.733 1.143 -8.503 579 HD1 HIS 92 HD1 HIS 92 1.297 1.838 -10.468 580 HD2 HIS 92 HD2 HIS 92 2.737 5.073 -8.295 581 HE1 HIS 92 HE1 HIS 92 0.698 3.868 -11.810 582 HE2 HIS 92 HE2 HIS 92 1.714 5.800 -10.548 583 H LEU 93 H LEU 93 0.416 -0.036 -5.835 584 HA LEU 93 HA LEU 93 2.532 -0.829 -3.933 585 HB2 LEU 93 HB2 LEU 93 0.319 -0.348 -2.988 586 HB3 LEU 93 HB3 LEU 93 -0.427 -1.475 -4.105 587 HG LEU 93 HG LEU 93 0.903 -3.335 -2.950 588 HD11 LEU 93 HD11 LEU 93 1.709 -2.928 -0.676 589 HD12 LEU 93 HD12 LEU 93 1.397 -1.205 -0.860 590 HD13 LEU 93 HD13 LEU 93 2.615 -1.995 -1.860 591 HD21 LEU 93 HD21 LEU 93 -1.477 -3.032 -2.551 592 HD22 LEU 93 HD22 LEU 93 -1.147 -1.828 -1.304 593 HD23 LEU 93 HD23 LEU 93 -0.661 -3.510 -1.068 594 H VAL 94 H VAL 94 3.531 -2.758 -4.154 595 HA VAL 94 HA VAL 94 2.565 -4.737 -6.149 596 HB VAL 94 HB VAL 94 5.495 -4.034 -5.566 597 HG11 VAL 94 HG11 VAL 94 6.055 -5.585 -7.422 598 HG12 VAL 94 HG12 VAL 94 4.354 -6.039 -7.554 599 HG13 VAL 94 HG13 VAL 94 5.258 -6.419 -6.085 600 HG21 VAL 94 HG21 VAL 94 4.424 -2.274 -6.919 601 HG22 VAL 94 HG22 VAL 94 3.870 -3.478 -8.087 602 HG23 VAL 94 HG23 VAL 94 5.598 -3.172 -7.884 603 H ILE 95 H ILE 95 1.945 -6.513 -5.069 604 HA ILE 95 HA ILE 95 3.124 -7.133 -2.417 605 HB ILE 95 HB ILE 95 0.477 -8.216 -3.482 606 HG12 ILE 95 HG12 ILE 95 0.881 -5.709 -1.783 607 HG13 ILE 95 HG13 ILE 95 0.256 -5.760 -3.425 608 HG21 ILE 95 HG21 ILE 95 1.510 -9.480 -1.627 609 HG22 ILE 95 HG22 ILE 95 0.028 -8.694 -1.092 610 HG23 ILE 95 HG23 ILE 95 1.596 -8.013 -0.648 611 HD11 ILE 95 HD11 ILE 95 -1.687 -7.033 -2.612 612 HD12 ILE 95 HD12 ILE 95 -1.531 -5.439 -1.873 613 HD13 ILE 95 HD13 ILE 95 -1.069 -6.878 -0.964 614 H LYS 96 H LYS 96 4.308 -8.957 -2.273 615 HA LYS 96 HA LYS 96 4.188 -11.014 -4.348 616 HB2 LYS 96 HB2 LYS 96 6.400 -10.161 -3.444 617 HB3 LYS 96 HB3 LYS 96 5.999 -10.889 -1.896 618 HG2 LYS 96 HG2 LYS 96 6.000 -13.120 -2.906 619 HG3 LYS 96 HG3 LYS 96 6.287 -12.428 -4.501 620 HD2 LYS 96 HD2 LYS 96 8.235 -12.084 -2.185 621 HD3 LYS 96 HD3 LYS 96 8.321 -13.442 -3.302 622 HE2 LYS 96 HE2 LYS 96 9.911 -11.801 -4.035 623 HE3 LYS 96 HE3 LYS 96 8.578 -11.789 -5.182 624 HZ1 LYS 96 HZ1 LYS 96 7.733 -9.798 -4.123 625 HZ2 LYS 96 HZ2 LYS 96 9.321 -9.567 -4.639 626 HZ3 LYS 96 HZ3 LYS 96 8.995 -9.819 -3.001 627 H THR 97 H THR 97 1.906 -11.368 -3.674 628 HA THR 97 HA THR 97 1.812 -13.674 -1.821 629 HB THR 97 HB THR 97 0.684 -11.595 -0.783 630 HG1 THR 97 HG1 THR 97 -1.089 -12.830 -0.050 631 HG21 THR 97 HG21 THR 97 -1.583 -11.012 -1.549 632 HG22 THR 97 HG22 THR 97 -1.428 -12.117 -2.914 633 HG23 THR 97 HG23 THR 97 -0.400 -10.683 -2.819 634 H GLN 98 H GLN 98 -0.293 -14.973 -2.337 635 HA GLN 98 HA GLN 98 -1.537 -14.598 -4.895 636 HB2 GLN 98 HB2 GLN 98 -0.917 -16.733 -5.930 637 HB3 GLN 98 HB3 GLN 98 0.516 -15.752 -5.657 638 HG2 GLN 98 HG2 GLN 98 1.152 -17.108 -3.752 639 HG3 GLN 98 HG3 GLN 98 -0.351 -18.025 -3.850 640 HE21 GLN 98 HE21 GLN 98 2.386 -18.997 -3.962 641 HE22 GLN 98 HE22 GLN 98 2.555 -19.825 -5.471 642 H ASN 99 H ASN 99 -3.420 -15.814 -5.142 643 HA ASN 99 HA ASN 99 -5.380 -16.709 -4.462 644 HB2 ASN 99 HB2 ASN 99 -3.552 -18.697 -3.051 645 HB3 ASN 99 HB3 ASN 99 -5.277 -18.936 -3.308 646 HD21 ASN 99 HD21 ASN 99 -2.138 -18.859 -4.845 647 HD22 ASN 99 HD22 ASN 99 -2.652 -19.522 -6.357 648 H ARG 100 H ARG 100 -4.475 -14.539 -2.977 649 HA ARG 100 HA ARG 100 -4.999 -14.815 -0.188 650 HB2 ARG 100 HB2 ARG 100 -5.179 -12.292 -0.225 651 HB3 ARG 100 HB3 ARG 100 -3.684 -12.921 -0.900 652 HG2 ARG 100 HG2 ARG 100 -4.045 -11.892 -2.894 653 HG3 ARG 100 HG3 ARG 100 -5.656 -12.587 -3.029 654 HD2 ARG 100 HD2 ARG 100 -4.937 -10.044 -1.542 655 HD3 ARG 100 HD3 ARG 100 -5.737 -10.138 -3.112 656 HE ARG 100 HE ARG 100 -7.225 -11.598 -1.185 657 HH11 ARG 100 HH11 ARG 100 -6.636 -8.290 -2.244 658 HH12 ARG 100 HH12 ARG 100 -8.056 -7.683 -1.466 659 HH21 ARG 100 HH21 ARG 100 -9.087 -10.749 -0.201 660 HH22 ARG 100 HH22 ARG 100 -9.422 -9.049 -0.316 661 HA PRO 101 HA PRO 101 -9.493 -15.133 -0.531 662 HB2 PRO 101 HB2 PRO 101 -10.193 -14.763 2.095 663 HB3 PRO 101 HB3 PRO 101 -9.432 -16.244 1.500 664 HG2 PRO 101 HG2 PRO 101 -8.166 -13.897 2.905 665 HG3 PRO 101 HG3 PRO 101 -7.909 -15.635 3.183 666 HD2 PRO 101 HD2 PRO 101 -6.186 -14.118 1.713 667 HD3 PRO 101 HD3 PRO 101 -6.463 -15.838 1.370 Start of MODEL 17 1 HA PRO 23 HA PRO 23 -13.096 19.307 7.061 2 HB2 PRO 23 HB2 PRO 23 -10.730 17.723 7.843 3 HB3 PRO 23 HB3 PRO 23 -10.836 19.447 7.452 4 HG2 PRO 23 HG2 PRO 23 -10.429 18.551 10.000 5 HG3 PRO 23 HG3 PRO 23 -11.298 20.058 9.642 6 HD2 PRO 23 HD2 PRO 23 -12.443 17.325 10.286 7 HD3 PRO 23 HD3 PRO 23 -12.901 18.914 10.937 8 H LYS 24 H LYS 24 -11.950 17.770 5.391 9 HA LYS 24 HA LYS 24 -13.375 15.200 5.255 10 HB2 LYS 24 HB2 LYS 24 -13.345 16.670 3.225 11 HB3 LYS 24 HB3 LYS 24 -11.588 16.553 3.168 12 HG2 LYS 24 HG2 LYS 24 -11.816 14.068 2.863 13 HG3 LYS 24 HG3 LYS 24 -13.564 14.267 2.793 14 HD2 LYS 24 HD2 LYS 24 -11.596 15.542 0.855 15 HD3 LYS 24 HD3 LYS 24 -12.471 14.037 0.553 16 HE2 LYS 24 HE2 LYS 24 -14.611 15.251 0.692 17 HE3 LYS 24 HE3 LYS 24 -13.747 16.758 1.010 18 HZ1 LYS 24 HZ1 LYS 24 -14.385 16.579 -1.299 19 HZ2 LYS 24 HZ2 LYS 24 -13.545 15.121 -1.457 20 HZ3 LYS 24 HZ3 LYS 24 -12.699 16.556 -1.163 21 H ILE 25 H ILE 25 -12.347 13.235 5.199 22 HA ILE 25 HA ILE 25 -9.606 12.984 6.169 23 HB ILE 25 HB ILE 25 -11.675 11.597 6.920 24 HG12 ILE 25 HG12 ILE 25 -9.169 10.048 6.123 25 HG13 ILE 25 HG13 ILE 25 -9.294 11.089 7.537 26 HG21 ILE 25 HG21 ILE 25 -12.504 11.002 4.660 27 HG22 ILE 25 HG22 ILE 25 -12.205 9.573 5.646 28 HG23 ILE 25 HG23 ILE 25 -11.055 10.023 4.383 29 HD11 ILE 25 HD11 ILE 25 -9.523 8.789 8.154 30 HD12 ILE 25 HD12 ILE 25 -10.863 8.578 7.029 31 HD13 ILE 25 HD13 ILE 25 -11.044 9.636 8.433 32 H MET 26 H MET 26 -8.030 11.562 4.917 33 HA MET 26 HA MET 26 -8.035 12.463 2.148 34 HB2 MET 26 HB2 MET 26 -5.918 10.931 3.721 35 HB3 MET 26 HB3 MET 26 -5.718 11.497 2.060 36 HG2 MET 26 HG2 MET 26 -6.137 13.207 4.517 37 HG3 MET 26 HG3 MET 26 -4.666 13.075 3.547 38 HE1 MET 26 HE1 MET 26 -4.860 15.900 3.581 39 HE2 MET 26 HE2 MET 26 -6.440 15.809 4.370 40 HE3 MET 26 HE3 MET 26 -6.248 16.737 2.881 41 H LYS 27 H LYS 27 -9.213 11.394 0.794 42 HA LYS 27 HA LYS 27 -9.708 8.547 0.824 43 HB2 LYS 27 HB2 LYS 27 -10.473 10.481 -1.401 44 HB3 LYS 27 HB3 LYS 27 -11.266 8.978 -0.949 45 HG2 LYS 27 HG2 LYS 27 -11.295 11.578 0.615 46 HG3 LYS 27 HG3 LYS 27 -12.622 10.909 -0.328 47 HD2 LYS 27 HD2 LYS 27 -11.435 9.711 2.205 48 HD3 LYS 27 HD3 LYS 27 -12.979 10.553 2.074 49 HE2 LYS 27 HE2 LYS 27 -12.248 7.874 0.842 50 HE3 LYS 27 HE3 LYS 27 -13.410 8.172 2.135 51 HZ1 LYS 27 HZ1 LYS 27 -14.714 9.485 0.508 52 HZ2 LYS 27 HZ2 LYS 27 -14.583 7.845 0.113 53 HZ3 LYS 27 HZ3 LYS 27 -13.646 8.985 -0.705 54 H VAL 28 H VAL 28 -7.720 7.592 0.432 55 HA VAL 28 HA VAL 28 -6.052 8.502 -1.809 56 HB VAL 28 HB VAL 28 -5.422 6.482 0.394 57 HG11 VAL 28 HG11 VAL 28 -3.057 6.796 -0.292 58 HG12 VAL 28 HG12 VAL 28 -3.586 7.809 -1.638 59 HG13 VAL 28 HG13 VAL 28 -4.036 6.104 -1.583 60 HG21 VAL 28 HG21 VAL 28 -4.639 9.423 0.208 61 HG22 VAL 28 HG22 VAL 28 -4.173 8.293 1.481 62 HG23 VAL 28 HG23 VAL 28 -5.860 8.746 1.294 63 H THR 29 H THR 29 -6.337 7.546 -3.697 64 HA THR 29 HA THR 29 -7.570 4.932 -3.967 65 HB THR 29 HB THR 29 -6.454 6.811 -6.109 66 HG1 THR 29 HG1 THR 29 -8.730 6.896 -4.589 67 HG21 THR 29 HG21 THR 29 -7.972 5.542 -7.641 68 HG22 THR 29 HG22 THR 29 -8.347 4.429 -6.324 69 HG23 THR 29 HG23 THR 29 -6.704 4.517 -6.965 70 H VAL 30 H VAL 30 -6.294 3.164 -3.736 71 HA VAL 30 HA VAL 30 -3.465 3.234 -4.603 72 HB VAL 30 HB VAL 30 -4.979 1.300 -2.780 73 HG11 VAL 30 HG11 VAL 30 -2.064 1.156 -3.649 74 HG12 VAL 30 HG12 VAL 30 -3.339 0.012 -4.070 75 HG13 VAL 30 HG13 VAL 30 -2.812 0.159 -2.395 76 HG21 VAL 30 HG21 VAL 30 -4.420 3.445 -1.731 77 HG22 VAL 30 HG22 VAL 30 -2.731 3.283 -2.217 78 HG23 VAL 30 HG23 VAL 30 -3.425 2.164 -1.040 79 H LYS 31 H LYS 31 -3.179 2.602 -6.599 80 HA LYS 31 HA LYS 31 -5.022 0.734 -7.958 81 HB2 LYS 31 HB2 LYS 31 -4.402 3.087 -8.882 82 HB3 LYS 31 HB3 LYS 31 -2.814 2.425 -9.216 83 HG2 LYS 31 HG2 LYS 31 -5.348 1.244 -10.389 84 HG3 LYS 31 HG3 LYS 31 -4.470 2.555 -11.168 85 HD2 LYS 31 HD2 LYS 31 -3.372 -0.215 -10.577 86 HD3 LYS 31 HD3 LYS 31 -3.883 0.373 -12.158 87 HE2 LYS 31 HE2 LYS 31 -1.557 1.420 -10.513 88 HE3 LYS 31 HE3 LYS 31 -1.437 0.419 -11.959 89 HZ1 LYS 31 HZ1 LYS 31 -2.540 3.166 -11.837 90 HZ2 LYS 31 HZ2 LYS 31 -2.440 2.212 -13.226 91 HZ3 LYS 31 HZ3 LYS 31 -1.032 2.724 -12.452 92 H THR 32 H THR 32 -4.267 -1.207 -8.704 93 HA THR 32 HA THR 32 -1.486 -2.048 -8.105 94 HB THR 32 HB THR 32 -2.491 -4.251 -7.338 95 HG1 THR 32 HG1 THR 32 -4.961 -2.854 -7.189 96 HG21 THR 32 HG21 THR 32 -3.421 -1.826 -5.757 97 HG22 THR 32 HG22 THR 32 -1.827 -2.576 -5.657 98 HG23 THR 32 HG23 THR 32 -3.252 -3.470 -5.129 99 HA PRO 33 HA PRO 33 -1.734 -4.103 -12.195 100 HB2 PRO 33 HB2 PRO 33 -0.249 -6.362 -11.852 101 HB3 PRO 33 HB3 PRO 33 0.482 -4.749 -11.854 102 HG2 PRO 33 HG2 PRO 33 -0.330 -6.457 -9.493 103 HG3 PRO 33 HG3 PRO 33 1.212 -5.616 -9.781 104 HD2 PRO 33 HD2 PRO 33 -0.701 -4.546 -8.203 105 HD3 PRO 33 HD3 PRO 33 0.328 -3.527 -9.229 106 H LYS 34 H LYS 34 -4.044 -4.620 -10.459 107 HA LYS 34 HA LYS 34 -5.069 -7.093 -11.489 108 HB2 LYS 34 HB2 LYS 34 -5.564 -8.038 -9.171 109 HB3 LYS 34 HB3 LYS 34 -3.875 -8.081 -9.656 110 HG2 LYS 34 HG2 LYS 34 -3.595 -5.917 -8.308 111 HG3 LYS 34 HG3 LYS 34 -5.196 -6.247 -7.641 112 HD2 LYS 34 HD2 LYS 34 -2.755 -8.061 -7.436 113 HD3 LYS 34 HD3 LYS 34 -3.393 -7.040 -6.146 114 HE2 LYS 34 HE2 LYS 34 -4.905 -9.344 -7.428 115 HE3 LYS 34 HE3 LYS 34 -4.034 -9.436 -5.901 116 HZ1 LYS 34 HZ1 LYS 34 -6.323 -7.628 -6.440 117 HZ2 LYS 34 HZ2 LYS 34 -5.523 -7.820 -4.965 118 HZ3 LYS 34 HZ3 LYS 34 -6.415 -9.099 -5.617 119 H GLU 35 H GLU 35 -5.478 -4.317 -9.338 120 HA GLU 35 HA GLU 35 -8.196 -3.826 -10.181 121 HB2 GLU 35 HB2 GLU 35 -9.245 -4.134 -7.945 122 HB3 GLU 35 HB3 GLU 35 -8.592 -5.656 -8.546 123 HG2 GLU 35 HG2 GLU 35 -6.594 -5.352 -7.108 124 HG3 GLU 35 HG3 GLU 35 -7.277 -3.850 -6.495 125 H LYS 36 H LYS 36 -9.028 -2.191 -8.139 126 HA LYS 36 HA LYS 36 -6.859 -0.506 -7.169 127 HB2 LYS 36 HB2 LYS 36 -7.996 1.595 -7.945 128 HB3 LYS 36 HB3 LYS 36 -7.390 0.609 -9.264 129 HG2 LYS 36 HG2 LYS 36 -9.451 1.209 -10.123 130 HG3 LYS 36 HG3 LYS 36 -9.860 -0.321 -9.357 131 HD2 LYS 36 HD2 LYS 36 -11.600 1.298 -8.856 132 HD3 LYS 36 HD3 LYS 36 -10.721 0.947 -7.367 133 HE2 LYS 36 HE2 LYS 36 -11.169 3.343 -7.543 134 HE3 LYS 36 HE3 LYS 36 -9.436 3.051 -7.653 135 HZ1 LYS 36 HZ1 LYS 36 -11.256 3.553 -9.942 136 HZ2 LYS 36 HZ2 LYS 36 -9.596 3.270 -10.051 137 HZ3 LYS 36 HZ3 LYS 36 -10.165 4.659 -9.279 138 H GLU 37 H GLU 37 -7.744 1.077 -5.529 139 HA GLU 37 HA GLU 37 -10.233 0.338 -4.199 140 HB2 GLU 37 HB2 GLU 37 -8.582 -1.392 -3.430 141 HB3 GLU 37 HB3 GLU 37 -7.512 -0.116 -2.868 142 HG2 GLU 37 HG2 GLU 37 -8.685 -1.124 -0.996 143 HG3 GLU 37 HG3 GLU 37 -9.180 0.557 -1.184 144 H GLU 38 H GLU 38 -10.708 1.814 -2.398 145 HA GLU 38 HA GLU 38 -9.074 4.283 -2.289 146 HB2 GLU 38 HB2 GLU 38 -11.209 4.721 -3.459 147 HB3 GLU 38 HB3 GLU 38 -12.112 4.050 -2.103 148 HG2 GLU 38 HG2 GLU 38 -11.233 5.884 -0.653 149 HG3 GLU 38 HG3 GLU 38 -10.405 6.567 -2.053 150 H PHE 39 H PHE 39 -8.253 4.572 -0.356 151 HA PHE 39 HA PHE 39 -9.416 3.363 2.070 152 HB2 PHE 39 HB2 PHE 39 -6.613 4.427 1.499 153 HB3 PHE 39 HB3 PHE 39 -7.146 3.842 3.074 154 HD1 PHE 39 HD1 PHE 39 -6.250 2.858 -0.366 155 HD2 PHE 39 HD2 PHE 39 -7.488 1.453 3.481 156 HE1 PHE 39 HE1 PHE 39 -5.677 0.557 -1.014 157 HE2 PHE 39 HE2 PHE 39 -6.912 -0.845 2.821 158 HZ PHE 39 HZ PHE 39 -6.004 -1.293 0.574 159 H ALA 40 H ALA 40 -9.251 4.716 4.036 160 HA ALA 40 HA ALA 40 -9.472 7.633 3.575 161 HB1 ALA 40 HB1 ALA 40 -11.343 7.686 5.197 162 HB2 ALA 40 HB2 ALA 40 -11.291 5.926 5.321 163 HB3 ALA 40 HB3 ALA 40 -11.739 6.688 3.796 164 H VAL 41 H VAL 41 -7.698 8.388 4.556 165 HA VAL 41 HA VAL 41 -6.900 7.412 7.239 166 HB VAL 41 HB VAL 41 -4.487 7.693 6.617 167 HG11 VAL 41 HG11 VAL 41 -4.248 5.606 5.344 168 HG12 VAL 41 HG12 VAL 41 -5.947 5.675 4.874 169 HG13 VAL 41 HG13 VAL 41 -5.510 5.454 6.570 170 HG21 VAL 41 HG21 VAL 41 -5.494 8.016 3.754 171 HG22 VAL 41 HG22 VAL 41 -3.805 7.823 4.234 172 HG23 VAL 41 HG23 VAL 41 -4.703 9.260 4.722 173 HA PRO 42 HA PRO 42 -7.277 11.749 8.078 174 HB2 PRO 42 HB2 PRO 42 -6.468 11.843 10.626 175 HB3 PRO 42 HB3 PRO 42 -7.842 10.832 10.164 176 HG2 PRO 42 HG2 PRO 42 -4.972 10.010 10.627 177 HG3 PRO 42 HG3 PRO 42 -6.458 9.259 11.251 178 HD2 PRO 42 HD2 PRO 42 -5.118 8.364 9.006 179 HD3 PRO 42 HD3 PRO 42 -6.855 8.122 9.276 180 H GLU 43 H GLU 43 -4.907 11.182 6.546 181 HA GLU 43 HA GLU 43 -2.863 11.801 5.901 182 HB2 GLU 43 HB2 GLU 43 -2.454 14.134 5.715 183 HB3 GLU 43 HB3 GLU 43 -4.199 13.941 5.670 184 HG2 GLU 43 HG2 GLU 43 -4.381 14.710 7.977 185 HG3 GLU 43 HG3 GLU 43 -2.625 14.799 8.111 186 H ASN 44 H ASN 44 -3.119 10.912 8.886 187 HA ASN 44 HA ASN 44 -0.572 11.977 9.916 188 HB2 ASN 44 HB2 ASN 44 -2.448 12.309 11.467 189 HB3 ASN 44 HB3 ASN 44 -2.890 10.607 11.367 190 HD21 ASN 44 HD21 ASN 44 -0.500 12.876 12.584 191 HD22 ASN 44 HD22 ASN 44 0.206 11.818 13.753 192 H SER 45 H SER 45 -2.404 9.081 9.082 193 HA SER 45 HA SER 45 -0.736 7.049 9.948 194 HB2 SER 45 HB2 SER 45 -2.348 7.066 7.353 195 HB3 SER 45 HB3 SER 45 -1.874 5.650 8.296 196 HG SER 45 HG SER 45 -3.154 6.582 10.037 197 H SER 46 H SER 46 1.371 6.780 9.527 198 HA SER 46 HA SER 46 2.765 7.697 7.200 199 HB2 SER 46 HB2 SER 46 3.626 5.620 9.266 200 HB3 SER 46 HB3 SER 46 4.683 6.446 8.114 201 HG SER 46 HG SER 46 3.493 7.397 10.446 202 H VAL 47 H VAL 47 3.960 6.169 5.686 203 HA VAL 47 HA VAL 47 2.195 4.363 4.394 204 HB VAL 47 HB VAL 47 5.219 4.651 4.101 205 HG11 VAL 47 HG11 VAL 47 4.548 2.413 3.305 206 HG12 VAL 47 HG12 VAL 47 5.021 3.433 1.950 207 HG13 VAL 47 HG13 VAL 47 3.311 3.130 2.269 208 HG21 VAL 47 HG21 VAL 47 3.959 6.677 3.495 209 HG22 VAL 47 HG22 VAL 47 2.944 5.744 2.393 210 HG23 VAL 47 HG23 VAL 47 4.666 5.936 2.060 211 H GLN 48 H GLN 48 4.661 3.888 6.872 212 HA GLN 48 HA GLN 48 4.780 1.071 6.885 213 HB2 GLN 48 HB2 GLN 48 5.694 1.222 9.146 214 HB3 GLN 48 HB3 GLN 48 6.414 2.444 8.111 215 HG2 GLN 48 HG2 GLN 48 5.032 4.179 9.129 216 HG3 GLN 48 HG3 GLN 48 4.196 2.976 10.108 217 HE21 GLN 48 HE21 GLN 48 5.331 1.993 11.850 218 HE22 GLN 48 HE22 GLN 48 6.752 2.713 12.523 219 H GLN 49 H GLN 49 2.390 3.267 8.251 220 HA GLN 49 HA GLN 49 0.921 1.035 9.494 221 HB2 GLN 49 HB2 GLN 49 0.502 4.040 9.729 222 HB3 GLN 49 HB3 GLN 49 -0.498 2.821 10.521 223 HG2 GLN 49 HG2 GLN 49 1.623 1.981 11.655 224 HG3 GLN 49 HG3 GLN 49 2.431 3.419 11.030 225 HE21 GLN 49 HE21 GLN 49 1.889 5.436 11.924 226 HE22 GLN 49 HE22 GLN 49 0.990 5.594 13.388 227 H PHE 50 H PHE 50 1.014 2.657 6.569 228 HA PHE 50 HA PHE 50 -1.847 2.652 6.006 229 HB2 PHE 50 HB2 PHE 50 -0.379 4.489 5.163 230 HB3 PHE 50 HB3 PHE 50 0.502 3.324 4.181 231 HD1 PHE 50 HD1 PHE 50 -3.074 4.330 4.783 232 HD2 PHE 50 HD2 PHE 50 -0.093 3.298 1.906 233 HE1 PHE 50 HE1 PHE 50 -4.694 4.689 2.969 234 HE2 PHE 50 HE2 PHE 50 -1.721 3.652 0.101 235 HZ PHE 50 HZ PHE 50 -4.023 4.348 0.627 236 H LYS 51 H LYS 51 1.068 0.842 4.956 237 HA LYS 51 HA LYS 51 -0.383 -0.818 3.128 238 HB2 LYS 51 HB2 LYS 51 1.587 -1.855 2.550 239 HB3 LYS 51 HB3 LYS 51 2.174 -0.304 3.097 240 HG2 LYS 51 HG2 LYS 51 2.258 -2.858 4.732 241 HG3 LYS 51 HG3 LYS 51 3.590 -2.244 3.757 242 HD2 LYS 51 HD2 LYS 51 3.348 -0.087 5.218 243 HD3 LYS 51 HD3 LYS 51 2.433 -1.119 6.314 244 HE2 LYS 51 HE2 LYS 51 5.300 -1.576 5.415 245 HE3 LYS 51 HE3 LYS 51 4.798 -0.960 6.986 246 HZ1 LYS 51 HZ1 LYS 51 3.697 -3.056 7.397 247 HZ2 LYS 51 HZ2 LYS 51 5.340 -3.287 7.073 248 HZ3 LYS 51 HZ3 LYS 51 4.196 -3.645 5.897 249 H GLU 52 H GLU 52 0.041 -0.883 6.499 250 HA GLU 52 HA GLU 52 -0.650 -3.524 7.185 251 HB2 GLU 52 HB2 GLU 52 -1.517 -0.959 8.592 252 HB3 GLU 52 HB3 GLU 52 -1.429 -2.562 9.312 253 HG2 GLU 52 HG2 GLU 52 0.949 -1.007 8.284 254 HG3 GLU 52 HG3 GLU 52 0.419 -1.014 9.960 255 H GLU 53 H GLU 53 -2.674 -0.640 6.626 256 HA GLU 53 HA GLU 53 -5.211 -1.882 6.844 257 HB2 GLU 53 HB2 GLU 53 -4.409 0.686 5.408 258 HB3 GLU 53 HB3 GLU 53 -6.066 0.221 5.782 259 HG2 GLU 53 HG2 GLU 53 -3.878 0.816 7.800 260 HG3 GLU 53 HG3 GLU 53 -5.221 1.878 7.379 261 H ILE 54 H ILE 54 -3.037 -1.324 4.131 262 HA ILE 54 HA ILE 54 -4.687 -2.251 2.030 263 HB ILE 54 HB ILE 54 -1.655 -2.239 2.332 264 HG12 ILE 54 HG12 ILE 54 -3.509 -0.355 0.795 265 HG13 ILE 54 HG13 ILE 54 -2.684 0.021 2.301 266 HG21 ILE 54 HG21 ILE 54 -2.280 -3.955 0.699 267 HG22 ILE 54 HG22 ILE 54 -1.497 -2.595 -0.093 268 HG23 ILE 54 HG23 ILE 54 -3.249 -2.780 -0.192 269 HD11 ILE 54 HD11 ILE 54 -1.585 1.055 0.401 270 HD12 ILE 54 HD12 ILE 54 -1.346 -0.520 -0.356 271 HD13 ILE 54 HD13 ILE 54 -0.523 -0.132 1.159 272 H SER 55 H SER 55 -2.608 -3.947 4.356 273 HA SER 55 HA SER 55 -2.291 -6.397 3.050 274 HB2 SER 55 HB2 SER 55 -0.930 -5.709 4.984 275 HB3 SER 55 HB3 SER 55 -2.324 -5.866 6.045 276 HG SER 55 HG SER 55 -1.600 -8.082 4.506 277 H LYS 56 H LYS 56 -4.618 -5.527 5.580 278 HA LYS 56 HA LYS 56 -6.068 -7.982 5.576 279 HB2 LYS 56 HB2 LYS 56 -7.681 -6.706 7.017 280 HB3 LYS 56 HB3 LYS 56 -6.011 -6.604 7.558 281 HG2 LYS 56 HG2 LYS 56 -5.863 -4.350 6.403 282 HG3 LYS 56 HG3 LYS 56 -7.605 -4.446 6.137 283 HD2 LYS 56 HD2 LYS 56 -6.231 -4.486 8.861 284 HD3 LYS 56 HD3 LYS 56 -7.024 -3.085 8.138 285 HE2 LYS 56 HE2 LYS 56 -8.399 -5.691 8.881 286 HE3 LYS 56 HE3 LYS 56 -8.460 -4.195 9.813 287 HZ1 LYS 56 HZ1 LYS 56 -9.473 -4.534 7.044 288 HZ2 LYS 56 HZ2 LYS 56 -9.544 -3.114 7.960 289 HZ3 LYS 56 HZ3 LYS 56 -10.417 -4.476 8.444 290 H ARG 57 H ARG 57 -6.238 -5.132 3.644 291 HA ARG 57 HA ARG 57 -8.998 -5.304 2.828 292 HB2 ARG 57 HB2 ARG 57 -7.494 -3.199 2.940 293 HB3 ARG 57 HB3 ARG 57 -6.749 -3.766 1.455 294 HG2 ARG 57 HG2 ARG 57 -8.367 -2.090 0.905 295 HG3 ARG 57 HG3 ARG 57 -8.997 -3.641 0.349 296 HD2 ARG 57 HD2 ARG 57 -10.624 -3.725 2.052 297 HD3 ARG 57 HD3 ARG 57 -9.777 -2.545 3.059 298 HE ARG 57 HE ARG 57 -11.360 -1.968 0.636 299 HH11 ARG 57 HH11 ARG 57 -9.755 -0.807 3.551 300 HH12 ARG 57 HH12 ARG 57 -10.329 0.819 3.364 301 HH21 ARG 57 HH21 ARG 57 -12.061 0.187 0.388 302 HH22 ARG 57 HH22 ARG 57 -11.604 1.388 1.553 303 H PHE 58 H PHE 58 -5.860 -5.941 1.300 304 HA PHE 58 HA PHE 58 -7.051 -7.090 -1.107 305 HB2 PHE 58 HB2 PHE 58 -4.229 -6.266 -0.330 306 HB3 PHE 58 HB3 PHE 58 -4.524 -7.241 -1.767 307 HD1 PHE 58 HD1 PHE 58 -5.396 -3.950 -0.166 308 HD2 PHE 58 HD2 PHE 58 -5.172 -6.207 -3.794 309 HE1 PHE 58 HE1 PHE 58 -5.854 -1.912 -1.475 310 HE2 PHE 58 HE2 PHE 58 -5.611 -4.181 -5.093 311 HZ PHE 58 HZ PHE 58 -5.960 -2.022 -3.938 312 H LYS 59 H LYS 59 -6.278 -8.285 1.904 313 HA LYS 59 HA LYS 59 -5.818 -10.305 2.822 314 HB2 LYS 59 HB2 LYS 59 -6.828 -11.340 0.143 315 HB3 LYS 59 HB3 LYS 59 -6.608 -12.338 1.573 316 HG2 LYS 59 HG2 LYS 59 -8.406 -9.940 1.796 317 HG3 LYS 59 HG3 LYS 59 -8.991 -11.324 0.888 318 HD2 LYS 59 HD2 LYS 59 -9.828 -11.418 3.178 319 HD3 LYS 59 HD3 LYS 59 -8.732 -12.764 2.889 320 HE2 LYS 59 HE2 LYS 59 -7.708 -10.247 4.212 321 HE3 LYS 59 HE3 LYS 59 -8.608 -11.435 5.153 322 HZ1 LYS 59 HZ1 LYS 59 -6.122 -11.987 3.625 323 HZ2 LYS 59 HZ2 LYS 59 -6.990 -13.114 4.523 324 HZ3 LYS 59 HZ3 LYS 59 -6.233 -11.816 5.301 325 H SER 60 H SER 60 -3.732 -8.922 1.585 326 HA SER 60 HA SER 60 -1.832 -11.047 0.786 327 HB2 SER 60 HB2 SER 60 -1.974 -8.191 -0.294 328 HB3 SER 60 HB3 SER 60 -0.794 -9.420 -0.759 329 HG SER 60 HG SER 60 -3.581 -9.799 -1.061 330 H HIS 61 H HIS 61 0.060 -11.002 1.969 331 HA HIS 61 HA HIS 61 0.118 -9.571 4.422 332 HB2 HIS 61 HB2 HIS 61 2.215 -11.297 3.050 333 HB3 HIS 61 HB3 HIS 61 2.475 -10.572 4.632 334 HD1 HIS 61 HD1 HIS 61 2.728 -13.060 5.480 335 HD2 HIS 61 HD2 HIS 61 -1.094 -12.029 4.216 336 HE1 HIS 61 HE1 HIS 61 1.211 -14.826 6.401 337 HE2 HIS 61 HE2 HIS 61 -1.100 -14.055 5.808 338 H THR 62 H THR 62 1.566 -7.983 5.168 339 HA THR 62 HA THR 62 1.974 -5.763 3.530 340 HB THR 62 HB THR 62 3.403 -4.900 5.459 341 HG1 THR 62 HG1 THR 62 2.755 -6.772 7.257 342 HG21 THR 62 HG21 THR 62 0.965 -4.515 5.449 343 HG22 THR 62 HG22 THR 62 1.572 -4.762 7.084 344 HG23 THR 62 HG23 THR 62 0.711 -6.065 6.259 345 H ASP 63 H ASP 63 4.226 -8.312 4.516 346 HA ASP 63 HA ASP 63 6.625 -7.150 3.507 347 HB2 ASP 63 HB2 ASP 63 6.025 -10.114 3.877 348 HB3 ASP 63 HB3 ASP 63 7.614 -9.363 3.837 349 H GLN 64 H GLN 64 4.003 -8.819 2.000 350 HA GLN 64 HA GLN 64 5.415 -9.649 -0.394 351 HB2 GLN 64 HB2 GLN 64 2.506 -9.766 0.467 352 HB3 GLN 64 HB3 GLN 64 3.028 -10.291 -1.128 353 HG2 GLN 64 HG2 GLN 64 4.198 -11.458 1.408 354 HG3 GLN 64 HG3 GLN 64 2.724 -12.091 0.673 355 HE21 GLN 64 HE21 GLN 64 2.862 -13.233 -1.264 356 HE22 GLN 64 HE22 GLN 64 4.362 -13.779 -1.920 357 H LEU 65 H LEU 65 3.679 -6.803 0.627 358 HA LEU 65 HA LEU 65 3.509 -5.848 -2.180 359 HB2 LEU 65 HB2 LEU 65 1.513 -4.487 -1.432 360 HB3 LEU 65 HB3 LEU 65 1.287 -6.212 -1.532 361 HG LEU 65 HG LEU 65 1.727 -6.152 1.083 362 HD11 LEU 65 HD11 LEU 65 0.772 -3.314 0.650 363 HD12 LEU 65 HD12 LEU 65 2.351 -3.804 1.268 364 HD13 LEU 65 HD13 LEU 65 0.900 -4.148 2.203 365 HD21 LEU 65 HD21 LEU 65 -0.357 -6.906 0.076 366 HD22 LEU 65 HD22 LEU 65 -0.898 -5.238 -0.125 367 HD23 LEU 65 HD23 LEU 65 -0.687 -5.912 1.494 368 H VAL 66 H VAL 66 4.209 -3.861 -2.688 369 HA VAL 66 HA VAL 66 5.274 -2.069 -0.594 370 HB VAL 66 HB VAL 66 7.266 -1.567 -2.076 371 HG11 VAL 66 HG11 VAL 66 8.591 -3.562 -1.451 372 HG12 VAL 66 HG12 VAL 66 7.104 -4.447 -1.099 373 HG13 VAL 66 HG13 VAL 66 7.546 -3.040 -0.128 374 HG21 VAL 66 HG21 VAL 66 6.370 -2.406 -4.234 375 HG22 VAL 66 HG22 VAL 66 6.416 -4.058 -3.618 376 HG23 VAL 66 HG23 VAL 66 7.919 -3.163 -3.852 377 H LEU 67 H LEU 67 5.048 0.106 -1.011 378 HA LEU 67 HA LEU 67 3.329 0.870 -3.269 379 HB2 LEU 67 HB2 LEU 67 4.120 2.415 -0.765 380 HB3 LEU 67 HB3 LEU 67 3.114 3.051 -2.057 381 HG LEU 67 HG LEU 67 1.534 1.020 -1.532 382 HD11 LEU 67 HD11 LEU 67 3.022 -0.211 -0.040 383 HD12 LEU 67 HD12 LEU 67 1.546 0.261 0.797 384 HD13 LEU 67 HD13 LEU 67 3.048 1.142 1.092 385 HD21 LEU 67 HD21 LEU 67 0.910 3.344 -1.170 386 HD22 LEU 67 HD22 LEU 67 1.753 3.360 0.382 387 HD23 LEU 67 HD23 LEU 67 0.332 2.337 0.154 388 H ILE 68 H ILE 68 3.824 2.644 -4.551 389 HA ILE 68 HA ILE 68 6.540 3.724 -4.649 390 HB ILE 68 HB ILE 68 5.203 2.504 -7.126 391 HG12 ILE 68 HG12 ILE 68 7.515 1.129 -7.059 392 HG13 ILE 68 HG13 ILE 68 7.388 1.408 -5.337 393 HG21 ILE 68 HG21 ILE 68 7.918 3.863 -6.882 394 HG22 ILE 68 HG22 ILE 68 6.486 4.529 -7.666 395 HG23 ILE 68 HG23 ILE 68 7.275 3.105 -8.342 396 HD11 ILE 68 HD11 ILE 68 5.366 -0.018 -7.065 397 HD12 ILE 68 HD12 ILE 68 5.201 0.265 -5.332 398 HD13 ILE 68 HD13 ILE 68 6.499 -0.764 -5.939 399 H PHE 69 H PHE 69 6.453 5.842 -5.105 400 HA PHE 69 HA PHE 69 4.442 7.045 -6.790 401 HB2 PHE 69 HB2 PHE 69 3.318 6.965 -4.508 402 HB3 PHE 69 HB3 PHE 69 4.589 8.014 -3.893 403 HD1 PHE 69 HD1 PHE 69 1.632 7.836 -6.131 404 HD2 PHE 69 HD2 PHE 69 4.575 10.432 -4.430 405 HE1 PHE 69 HE1 PHE 69 0.320 9.801 -6.823 406 HE2 PHE 69 HE2 PHE 69 3.252 12.377 -5.123 407 HZ PHE 69 HZ PHE 69 1.126 12.072 -6.320 408 H ALA 70 H ALA 70 5.052 9.057 -7.534 409 HA ALA 70 HA ALA 70 6.437 10.629 -8.340 410 HB1 ALA 70 HB1 ALA 70 7.990 11.784 -6.823 411 HB2 ALA 70 HB2 ALA 70 7.843 10.475 -5.649 412 HB3 ALA 70 HB3 ALA 70 6.446 11.482 -6.022 413 H GLY 71 H GLY 71 7.121 7.630 -8.414 414 HA2 GLY 71 HA2 GLY 71 8.593 6.628 -9.951 415 HA3 GLY 71 HA3 GLY 71 9.749 7.925 -9.701 416 H LYS 72 H LYS 72 9.097 7.397 -6.625 417 HA LYS 72 HA LYS 72 11.226 5.341 -6.336 418 HB2 LYS 72 HB2 LYS 72 11.951 6.507 -4.308 419 HB3 LYS 72 HB3 LYS 72 11.917 7.626 -5.660 420 HG2 LYS 72 HG2 LYS 72 10.922 8.989 -4.100 421 HG3 LYS 72 HG3 LYS 72 9.470 8.177 -4.679 422 HD2 LYS 72 HD2 LYS 72 9.388 8.206 -2.263 423 HD3 LYS 72 HD3 LYS 72 9.703 6.545 -2.757 424 HE2 LYS 72 HE2 LYS 72 12.108 6.866 -2.284 425 HE3 LYS 72 HE3 LYS 72 11.786 8.524 -1.769 426 HZ1 LYS 72 HZ1 LYS 72 10.307 7.580 -0.046 427 HZ2 LYS 72 HZ2 LYS 72 11.922 7.116 0.131 428 HZ3 LYS 72 HZ3 LYS 72 10.802 6.033 -0.512 429 H ILE 73 H ILE 73 11.091 3.963 -4.435 430 HA ILE 73 HA ILE 73 8.394 3.060 -3.897 431 HB ILE 73 HB ILE 73 9.336 1.140 -2.754 432 HG12 ILE 73 HG12 ILE 73 11.249 2.256 -1.544 433 HG13 ILE 73 HG13 ILE 73 11.698 0.744 -2.310 434 HG21 ILE 73 HG21 ILE 73 10.897 1.725 -5.292 435 HG22 ILE 73 HG22 ILE 73 9.288 1.011 -5.186 436 HG23 ILE 73 HG23 ILE 73 10.684 0.127 -4.572 437 HD11 ILE 73 HD11 ILE 73 13.461 2.346 -2.535 438 HD12 ILE 73 HD12 ILE 73 12.371 3.518 -3.270 439 HD13 ILE 73 HD13 ILE 73 12.774 2.028 -4.127 440 H LEU 74 H LEU 74 7.233 3.431 -2.106 441 HA LEU 74 HA LEU 74 8.128 5.359 -0.141 442 HB2 LEU 74 HB2 LEU 74 5.485 3.849 -0.227 443 HB3 LEU 74 HB3 LEU 74 5.835 5.328 0.653 444 HG LEU 74 HG LEU 74 5.563 5.007 -2.354 445 HD11 LEU 74 HD11 LEU 74 3.875 6.545 -0.354 446 HD12 LEU 74 HD12 LEU 74 3.427 5.046 -1.173 447 HD13 LEU 74 HD13 LEU 74 3.637 6.528 -2.104 448 HD21 LEU 74 HD21 LEU 74 6.337 7.524 -0.821 449 HD22 LEU 74 HD22 LEU 74 5.937 7.451 -2.539 450 HD23 LEU 74 HD23 LEU 74 7.368 6.620 -1.937 451 H LYS 75 H LYS 75 9.004 4.828 1.762 452 HA LYS 75 HA LYS 75 8.806 2.066 2.811 453 HB2 LYS 75 HB2 LYS 75 11.012 4.147 3.146 454 HB3 LYS 75 HB3 LYS 75 10.983 2.601 3.986 455 HG2 LYS 75 HG2 LYS 75 11.232 3.030 0.992 456 HG3 LYS 75 HG3 LYS 75 12.503 2.490 2.093 457 HD2 LYS 75 HD2 LYS 75 10.981 0.471 2.605 458 HD3 LYS 75 HD3 LYS 75 10.014 0.987 1.219 459 HE2 LYS 75 HE2 LYS 75 11.607 -0.790 0.615 460 HE3 LYS 75 HE3 LYS 75 11.937 0.701 -0.261 461 HZ1 LYS 75 HZ1 LYS 75 13.724 1.170 1.282 462 HZ2 LYS 75 HZ2 LYS 75 13.953 -0.332 0.546 463 HZ3 LYS 75 HZ3 LYS 75 13.393 -0.248 2.138 464 H ASP 76 H ASP 76 9.648 2.404 5.342 465 HA ASP 76 HA ASP 76 7.416 3.429 6.758 466 HB2 ASP 76 HB2 ASP 76 8.615 2.797 8.783 467 HB3 ASP 76 HB3 ASP 76 8.841 1.542 7.575 468 H GLN 77 H GLN 77 10.472 4.795 5.815 469 HA GLN 77 HA GLN 77 10.492 7.097 7.515 470 HB2 GLN 77 HB2 GLN 77 12.285 7.926 6.086 471 HB3 GLN 77 HB3 GLN 77 12.541 6.212 6.395 472 HG2 GLN 77 HG2 GLN 77 11.688 5.647 4.168 473 HG3 GLN 77 HG3 GLN 77 11.326 7.343 3.847 474 HE21 GLN 77 HE21 GLN 77 13.046 5.527 2.364 475 HE22 GLN 77 HE22 GLN 77 14.609 6.257 2.335 476 H ASP 78 H ASP 78 8.739 6.277 4.667 477 HA ASP 78 HA ASP 78 8.025 9.043 3.979 478 HB2 ASP 78 HB2 ASP 78 7.204 6.376 2.717 479 HB3 ASP 78 HB3 ASP 78 6.623 7.946 2.170 480 H THR 79 H THR 79 6.142 9.949 4.669 481 HA THR 79 HA THR 79 3.867 8.137 5.242 482 HB THR 79 HB THR 79 2.757 9.860 6.450 483 HG1 THR 79 HG1 THR 79 3.654 12.062 6.482 484 HG21 THR 79 HG21 THR 79 4.630 8.996 7.794 485 HG22 THR 79 HG22 THR 79 4.318 10.688 8.177 486 HG23 THR 79 HG23 THR 79 5.688 10.254 7.152 487 H LEU 80 H LEU 80 2.165 8.289 3.842 488 HA LEU 80 HA LEU 80 2.655 9.052 1.207 489 HB2 LEU 80 HB2 LEU 80 0.282 8.585 0.736 490 HB3 LEU 80 HB3 LEU 80 1.070 7.295 1.612 491 HG LEU 80 HG LEU 80 -0.744 9.301 3.001 492 HD11 LEU 80 HD11 LEU 80 -2.586 7.706 2.775 493 HD12 LEU 80 HD12 LEU 80 -1.579 6.654 1.773 494 HD13 LEU 80 HD13 LEU 80 -2.030 8.261 1.197 495 HD21 LEU 80 HD21 LEU 80 -1.053 7.457 4.643 496 HD22 LEU 80 HD22 LEU 80 0.609 8.018 4.548 497 HD23 LEU 80 HD23 LEU 80 0.152 6.502 3.771 498 H SER 81 H SER 81 0.857 10.713 3.750 499 HA SER 81 HA SER 81 -0.206 12.871 2.333 500 HB2 SER 81 HB2 SER 81 -0.889 12.252 4.612 501 HB3 SER 81 HB3 SER 81 0.696 12.707 5.238 502 HG SER 81 HG SER 81 -0.177 14.595 5.496 503 H GLN 82 H GLN 82 2.959 12.570 3.984 504 HA GLN 82 HA GLN 82 3.963 15.177 3.477 505 HB2 GLN 82 HB2 GLN 82 4.871 13.490 5.137 506 HB3 GLN 82 HB3 GLN 82 5.546 12.576 3.806 507 HG2 GLN 82 HG2 GLN 82 6.380 15.439 4.362 508 HG3 GLN 82 HG3 GLN 82 7.108 14.078 5.204 509 HE21 GLN 82 HE21 GLN 82 8.388 12.600 3.994 510 HE22 GLN 82 HE22 GLN 82 9.100 13.046 2.488 511 H HIS 83 H HIS 83 3.947 12.188 1.605 512 HA HIS 83 HA HIS 83 5.887 13.122 -0.339 513 HB2 HIS 83 HB2 HIS 83 5.415 10.649 0.592 514 HB3 HIS 83 HB3 HIS 83 4.292 10.588 -0.763 515 HD1 HIS 83 HD1 HIS 83 7.934 10.816 0.060 516 HD2 HIS 83 HD2 HIS 83 5.551 10.473 -3.313 517 HE1 HIS 83 HE1 HIS 83 9.505 10.366 -1.826 518 HE2 HIS 83 HE2 HIS 83 8.062 10.379 -3.874 519 H GLY 84 H GLY 84 2.848 14.075 0.030 520 HA2 GLY 84 HA2 GLY 84 1.689 15.508 -1.383 521 HA3 GLY 84 HA3 GLY 84 2.587 14.896 -2.760 522 H ILE 85 H ILE 85 0.973 12.756 -0.518 523 HA ILE 85 HA ILE 85 -1.059 12.080 -2.573 524 HB ILE 85 HB ILE 85 -0.062 10.232 -0.359 525 HG12 ILE 85 HG12 ILE 85 0.830 10.152 -3.285 526 HG13 ILE 85 HG13 ILE 85 1.794 10.845 -1.985 527 HG21 ILE 85 HG21 ILE 85 -1.131 8.449 -1.710 528 HG22 ILE 85 HG22 ILE 85 -1.674 9.653 -2.881 529 HG23 ILE 85 HG23 ILE 85 -2.294 9.685 -1.229 530 HD11 ILE 85 HD11 ILE 85 0.926 7.974 -2.182 531 HD12 ILE 85 HD12 ILE 85 1.913 8.673 -0.899 532 HD13 ILE 85 HD13 ILE 85 2.524 8.611 -2.551 533 H HIS 86 H HIS 86 -2.826 13.144 -1.991 534 HA HIS 86 HA HIS 86 -3.975 12.782 0.720 535 HB2 HIS 86 HB2 HIS 86 -4.043 15.296 -1.032 536 HB3 HIS 86 HB3 HIS 86 -5.031 15.081 0.417 537 HD1 HIS 86 HD1 HIS 86 -2.182 16.866 -0.454 538 HD2 HIS 86 HD2 HIS 86 -2.913 14.171 2.630 539 HE1 HIS 86 HE1 HIS 86 -0.435 17.328 1.282 540 HE2 HIS 86 HE2 HIS 86 -0.860 15.653 3.114 541 H ASP 87 H ASP 87 -6.521 13.912 0.065 542 HA ASP 87 HA ASP 87 -7.815 11.729 -1.149 543 HB2 ASP 87 HB2 ASP 87 -9.887 13.041 -1.001 544 HB3 ASP 87 HB3 ASP 87 -8.958 13.170 0.483 545 H GLY 88 H GLY 88 -8.181 11.212 -3.209 546 HA2 GLY 88 HA2 GLY 88 -8.792 11.654 -5.474 547 HA3 GLY 88 HA3 GLY 88 -8.038 13.234 -5.365 548 H LEU 89 H LEU 89 -5.643 11.952 -4.007 549 HA LEU 89 HA LEU 89 -4.121 11.513 -6.431 550 HB2 LEU 89 HB2 LEU 89 -3.352 11.611 -3.491 551 HB3 LEU 89 HB3 LEU 89 -2.190 11.166 -4.725 552 HG LEU 89 HG LEU 89 -1.883 13.501 -4.107 553 HD11 LEU 89 HD11 LEU 89 -3.068 13.303 -6.889 554 HD12 LEU 89 HD12 LEU 89 -1.407 12.926 -6.428 555 HD13 LEU 89 HD13 LEU 89 -1.997 14.580 -6.303 556 HD21 LEU 89 HD21 LEU 89 -4.131 14.024 -3.292 557 HD22 LEU 89 HD22 LEU 89 -4.758 13.993 -4.941 558 HD23 LEU 89 HD23 LEU 89 -3.591 15.229 -4.461 559 H THR 90 H THR 90 -2.876 9.660 -6.899 560 HA THR 90 HA THR 90 -3.955 7.108 -5.851 561 HB THR 90 HB THR 90 -3.146 7.722 -8.734 562 HG1 THR 90 HG1 THR 90 -5.502 8.053 -7.344 563 HG21 THR 90 HG21 THR 90 -4.517 5.268 -7.542 564 HG22 THR 90 HG22 THR 90 -2.857 5.323 -8.143 565 HG23 THR 90 HG23 THR 90 -4.205 5.543 -9.260 566 H VAL 91 H VAL 91 -2.487 5.551 -5.316 567 HA VAL 91 HA VAL 91 0.408 6.053 -5.731 568 HB VAL 91 HB VAL 91 -0.714 4.022 -3.747 569 HG11 VAL 91 HG11 VAL 91 1.440 4.386 -2.575 570 HG12 VAL 91 HG12 VAL 91 1.918 5.553 -3.808 571 HG13 VAL 91 HG13 VAL 91 1.686 3.859 -4.243 572 HG21 VAL 91 HG21 VAL 91 -0.270 6.969 -3.161 573 HG22 VAL 91 HG22 VAL 91 -0.578 5.724 -1.948 574 HG23 VAL 91 HG23 VAL 91 -1.811 6.112 -3.148 575 H HIS 92 H HIS 92 1.743 4.307 -6.441 576 HA HIS 92 HA HIS 92 0.384 2.101 -7.871 577 HB2 HIS 92 HB2 HIS 92 3.367 2.819 -7.836 578 HB3 HIS 92 HB3 HIS 92 2.588 1.633 -8.882 579 HD1 HIS 92 HD1 HIS 92 1.937 2.476 -11.139 580 HD2 HIS 92 HD2 HIS 92 2.468 5.565 -8.412 581 HE1 HIS 92 HE1 HIS 92 1.700 4.599 -12.461 582 HE2 HIS 92 HE2 HIS 92 1.859 6.437 -10.756 583 H LEU 93 H LEU 93 -0.116 0.529 -6.373 584 HA LEU 93 HA LEU 93 1.983 -0.465 -4.550 585 HB2 LEU 93 HB2 LEU 93 -0.246 -0.066 -3.577 586 HB3 LEU 93 HB3 LEU 93 -0.974 -1.124 -4.773 587 HG LEU 93 HG LEU 93 0.541 -2.994 -3.770 588 HD11 LEU 93 HD11 LEU 93 0.681 -1.044 -1.462 589 HD12 LEU 93 HD12 LEU 93 2.032 -1.600 -2.451 590 HD13 LEU 93 HD13 LEU 93 1.173 -2.739 -1.424 591 HD21 LEU 93 HD21 LEU 93 -1.861 -3.004 -3.519 592 HD22 LEU 93 HD22 LEU 93 -1.761 -1.889 -2.156 593 HD23 LEU 93 HD23 LEU 93 -1.095 -3.521 -2.022 594 H VAL 94 H VAL 94 3.157 -2.134 -5.229 595 HA VAL 94 HA VAL 94 2.065 -3.989 -7.278 596 HB VAL 94 HB VAL 94 5.009 -3.407 -6.673 597 HG11 VAL 94 HG11 VAL 94 3.748 -5.098 -8.874 598 HG12 VAL 94 HG12 VAL 94 4.682 -5.692 -7.500 599 HG13 VAL 94 HG13 VAL 94 5.466 -4.713 -8.738 600 HG21 VAL 94 HG21 VAL 94 3.928 -1.457 -7.727 601 HG22 VAL 94 HG22 VAL 94 3.314 -2.472 -9.035 602 HG23 VAL 94 HG23 VAL 94 5.052 -2.223 -8.849 603 H ILE 95 H ILE 95 1.369 -5.778 -6.338 604 HA ILE 95 HA ILE 95 2.500 -6.718 -3.782 605 HB ILE 95 HB ILE 95 0.019 -7.849 -5.163 606 HG12 ILE 95 HG12 ILE 95 0.078 -5.500 -3.197 607 HG13 ILE 95 HG13 ILE 95 -0.359 -5.401 -4.898 608 HG21 ILE 95 HG21 ILE 95 -0.586 -8.578 -2.884 609 HG22 ILE 95 HG22 ILE 95 0.856 -7.800 -2.230 610 HG23 ILE 95 HG23 ILE 95 1.013 -9.179 -3.317 611 HD11 ILE 95 HD11 ILE 95 -2.317 -5.348 -3.493 612 HD12 ILE 95 HD12 ILE 95 -1.876 -6.887 -2.753 613 HD13 ILE 95 HD13 ILE 95 -2.313 -6.820 -4.465 614 H LYS 96 H LYS 96 3.269 -8.835 -3.575 615 HA LYS 96 HA LYS 96 4.046 -10.242 -6.061 616 HB2 LYS 96 HB2 LYS 96 5.852 -9.161 -4.625 617 HB3 LYS 96 HB3 LYS 96 5.437 -10.294 -3.345 618 HG2 LYS 96 HG2 LYS 96 6.178 -12.175 -4.704 619 HG3 LYS 96 HG3 LYS 96 6.426 -11.123 -6.098 620 HD2 LYS 96 HD2 LYS 96 8.567 -11.700 -5.000 621 HD3 LYS 96 HD3 LYS 96 8.256 -9.964 -4.947 622 HE2 LYS 96 HE2 LYS 96 9.154 -10.722 -2.807 623 HE3 LYS 96 HE3 LYS 96 7.486 -10.196 -2.595 624 HZ1 LYS 96 HZ1 LYS 96 8.441 -12.999 -2.795 625 HZ2 LYS 96 HZ2 LYS 96 6.816 -12.549 -2.690 626 HZ3 LYS 96 HZ3 LYS 96 7.867 -12.226 -1.407 627 H THR 97 H THR 97 1.522 -10.522 -4.368 628 HA THR 97 HA THR 97 1.698 -13.353 -3.577 629 HB THR 97 HB THR 97 -0.693 -13.111 -2.862 630 HG1 THR 97 HG1 THR 97 -1.522 -10.923 -2.748 631 HG21 THR 97 HG21 THR 97 -0.296 -11.696 -0.892 632 HG22 THR 97 HG22 THR 97 1.143 -11.018 -1.655 633 HG23 THR 97 HG23 THR 97 1.101 -12.727 -1.216 634 H GLN 98 H GLN 98 1.426 -14.797 -5.166 635 HA GLN 98 HA GLN 98 -0.361 -14.326 -7.434 636 HB2 GLN 98 HB2 GLN 98 0.307 -16.677 -8.076 637 HB3 GLN 98 HB3 GLN 98 1.653 -15.560 -7.935 638 HG2 GLN 98 HG2 GLN 98 2.139 -16.503 -5.666 639 HG3 GLN 98 HG3 GLN 98 0.865 -17.696 -5.937 640 HE21 GLN 98 HE21 GLN 98 2.331 -19.404 -5.774 641 HE22 GLN 98 HE22 GLN 98 3.481 -19.767 -7.010 642 H ASN 99 H ASN 99 -0.224 -16.103 -4.406 643 HA ASN 99 HA ASN 99 -3.107 -16.798 -4.557 644 HB2 ASN 99 HB2 ASN 99 -0.879 -18.122 -2.919 645 HB3 ASN 99 HB3 ASN 99 -2.583 -18.549 -2.825 646 HD21 ASN 99 HD21 ASN 99 -2.016 -20.704 -3.365 647 HD22 ASN 99 HD22 ASN 99 -1.648 -21.151 -4.993 648 H ARG 100 H ARG 100 -4.412 -15.900 -2.978 649 HA ARG 100 HA ARG 100 -3.140 -14.176 -0.919 650 HB2 ARG 100 HB2 ARG 100 -5.757 -13.716 -2.409 651 HB3 ARG 100 HB3 ARG 100 -5.133 -12.692 -1.117 652 HG2 ARG 100 HG2 ARG 100 -3.172 -12.123 -2.534 653 HG3 ARG 100 HG3 ARG 100 -3.828 -13.132 -3.825 654 HD2 ARG 100 HD2 ARG 100 -5.119 -10.631 -2.675 655 HD3 ARG 100 HD3 ARG 100 -4.320 -10.775 -4.243 656 HE ARG 100 HE ARG 100 -6.095 -12.431 -4.827 657 HH11 ARG 100 HH11 ARG 100 -6.808 -9.996 -2.398 658 HH12 ARG 100 HH12 ARG 100 -8.512 -10.050 -2.678 659 HH21 ARG 100 HH21 ARG 100 -8.341 -12.496 -5.163 660 HH22 ARG 100 HH22 ARG 100 -9.387 -11.459 -4.241 661 HA PRO 101 HA PRO 101 -5.850 -16.691 1.785 662 HB2 PRO 101 HB2 PRO 101 -4.091 -16.841 3.891 663 HB3 PRO 101 HB3 PRO 101 -4.082 -17.970 2.536 664 HG2 PRO 101 HG2 PRO 101 -2.151 -15.836 3.189 665 HG3 PRO 101 HG3 PRO 101 -1.955 -17.242 2.128 666 HD2 PRO 101 HD2 PRO 101 -2.533 -14.494 1.385 667 HD3 PRO 101 HD3 PRO 101 -2.255 -15.882 0.316 Start of MODEL 18 1 HA PRO 23 HA PRO 23 -10.789 20.616 6.258 2 HB2 PRO 23 HB2 PRO 23 -9.973 18.418 8.008 3 HB3 PRO 23 HB3 PRO 23 -9.096 19.905 7.614 4 HG2 PRO 23 HG2 PRO 23 -10.856 19.325 9.932 5 HG3 PRO 23 HG3 PRO 23 -9.569 20.536 9.780 6 HD2 PRO 23 HD2 PRO 23 -12.166 21.268 9.838 7 HD3 PRO 23 HD3 PRO 23 -11.001 22.128 8.813 8 H LYS 24 H LYS 24 -10.101 18.356 5.360 9 HA LYS 24 HA LYS 24 -12.388 16.481 5.204 10 HB2 LYS 24 HB2 LYS 24 -12.299 17.771 3.092 11 HB3 LYS 24 HB3 LYS 24 -10.594 17.381 2.895 12 HG2 LYS 24 HG2 LYS 24 -11.168 14.985 2.649 13 HG3 LYS 24 HG3 LYS 24 -12.876 15.368 2.857 14 HD2 LYS 24 HD2 LYS 24 -11.128 16.409 0.594 15 HD3 LYS 24 HD3 LYS 24 -12.207 15.012 0.470 16 HE2 LYS 24 HE2 LYS 24 -13.071 17.856 1.106 17 HE3 LYS 24 HE3 LYS 24 -13.231 17.068 -0.464 18 HZ1 LYS 24 HZ1 LYS 24 -15.296 16.983 0.712 19 HZ2 LYS 24 HZ2 LYS 24 -14.576 16.272 2.061 20 HZ3 LYS 24 HZ3 LYS 24 -14.673 15.413 0.610 21 H ILE 25 H ILE 25 -11.825 14.305 5.010 22 HA ILE 25 HA ILE 25 -9.177 13.571 5.982 23 HB ILE 25 HB ILE 25 -11.435 12.511 6.736 24 HG12 ILE 25 HG12 ILE 25 -9.158 10.634 5.958 25 HG13 ILE 25 HG13 ILE 25 -9.126 11.716 7.344 26 HG21 ILE 25 HG21 ILE 25 -11.034 10.795 4.247 27 HG22 ILE 25 HG22 ILE 25 -12.325 11.978 4.470 28 HG23 ILE 25 HG23 ILE 25 -12.251 10.557 5.507 29 HD11 ILE 25 HD11 ILE 25 -11.010 10.525 8.307 30 HD12 ILE 25 HD12 ILE 25 -9.620 9.476 8.015 31 HD13 ILE 25 HD13 ILE 25 -11.011 9.422 6.929 32 H MET 26 H MET 26 -7.699 12.283 4.733 33 HA MET 26 HA MET 26 -7.693 13.132 1.977 34 HB2 MET 26 HB2 MET 26 -5.642 13.244 3.391 35 HB3 MET 26 HB3 MET 26 -5.593 11.487 3.460 36 HG2 MET 26 HG2 MET 26 -5.311 11.420 1.005 37 HG3 MET 26 HG3 MET 26 -5.335 13.181 0.961 38 HE1 MET 26 HE1 MET 26 -3.393 14.710 1.934 39 HE2 MET 26 HE2 MET 26 -1.973 14.084 2.768 40 HE3 MET 26 HE3 MET 26 -3.559 13.984 3.532 41 H LYS 27 H LYS 27 -8.739 12.041 0.545 42 HA LYS 27 HA LYS 27 -9.304 9.203 0.662 43 HB2 LYS 27 HB2 LYS 27 -9.922 11.036 -1.698 44 HB3 LYS 27 HB3 LYS 27 -10.809 9.618 -1.149 45 HG2 LYS 27 HG2 LYS 27 -10.704 12.294 0.295 46 HG3 LYS 27 HG3 LYS 27 -12.033 11.744 -0.722 47 HD2 LYS 27 HD2 LYS 27 -11.213 10.018 1.622 48 HD3 LYS 27 HD3 LYS 27 -12.102 11.506 1.948 49 HE2 LYS 27 HE2 LYS 27 -13.493 9.370 1.709 50 HE3 LYS 27 HE3 LYS 27 -14.020 10.751 0.751 51 HZ1 LYS 27 HZ1 LYS 27 -13.041 9.772 -1.180 52 HZ2 LYS 27 HZ2 LYS 27 -14.049 8.633 -0.446 53 HZ3 LYS 27 HZ3 LYS 27 -12.378 8.522 -0.263 54 H VAL 28 H VAL 28 -7.257 8.256 0.459 55 HA VAL 28 HA VAL 28 -5.512 8.934 -1.792 56 HB VAL 28 HB VAL 28 -4.985 6.856 0.383 57 HG11 VAL 28 HG11 VAL 28 -3.544 6.653 -1.585 58 HG12 VAL 28 HG12 VAL 28 -2.609 7.219 -0.202 59 HG13 VAL 28 HG13 VAL 28 -3.090 8.356 -1.465 60 HG21 VAL 28 HG21 VAL 28 -4.197 9.789 0.448 61 HG22 VAL 28 HG22 VAL 28 -3.705 8.550 1.604 62 HG23 VAL 28 HG23 VAL 28 -5.402 9.012 1.483 63 H THR 29 H THR 29 -5.982 7.919 -3.647 64 HA THR 29 HA THR 29 -7.056 5.225 -3.773 65 HB THR 29 HB THR 29 -6.010 7.010 -6.035 66 HG1 THR 29 HG1 THR 29 -7.958 7.631 -4.610 67 HG21 THR 29 HG21 THR 29 -6.174 4.618 -6.687 68 HG22 THR 29 HG22 THR 29 -7.399 5.588 -7.506 69 HG23 THR 29 HG23 THR 29 -7.850 4.584 -6.128 70 H VAL 30 H VAL 30 -5.860 3.414 -4.090 71 HA VAL 30 HA VAL 30 -2.970 3.597 -4.688 72 HB VAL 30 HB VAL 30 -4.376 1.624 -2.805 73 HG11 VAL 30 HG11 VAL 30 -1.420 1.780 -3.543 74 HG12 VAL 30 HG12 VAL 30 -2.545 0.505 -4.011 75 HG13 VAL 30 HG13 VAL 30 -2.116 0.717 -2.315 76 HG21 VAL 30 HG21 VAL 30 -4.068 3.849 -1.786 77 HG22 VAL 30 HG22 VAL 30 -2.343 3.805 -2.163 78 HG23 VAL 30 HG23 VAL 30 -3.029 2.653 -1.012 79 H LYS 31 H LYS 31 -2.491 2.575 -6.551 80 HA LYS 31 HA LYS 31 -4.415 0.688 -7.726 81 HB2 LYS 31 HB2 LYS 31 -3.312 2.750 -8.984 82 HB3 LYS 31 HB3 LYS 31 -1.927 1.684 -9.155 83 HG2 LYS 31 HG2 LYS 31 -4.739 1.112 -10.168 84 HG3 LYS 31 HG3 LYS 31 -3.403 1.693 -11.163 85 HD2 LYS 31 HD2 LYS 31 -2.190 -0.394 -10.841 86 HD3 LYS 31 HD3 LYS 31 -3.382 -0.956 -9.666 87 HE2 LYS 31 HE2 LYS 31 -3.731 -2.064 -11.807 88 HE3 LYS 31 HE3 LYS 31 -5.100 -1.017 -11.441 89 HZ1 LYS 31 HZ1 LYS 31 -4.174 0.642 -12.945 90 HZ2 LYS 31 HZ2 LYS 31 -4.449 -0.822 -13.743 91 HZ3 LYS 31 HZ3 LYS 31 -2.874 -0.381 -13.307 92 H THR 32 H THR 32 -4.053 -1.366 -7.528 93 HA THR 32 HA THR 32 -1.574 -2.405 -6.311 94 HB THR 32 HB THR 32 -3.080 -4.052 -5.253 95 HG1 THR 32 HG1 THR 32 -5.340 -2.745 -6.353 96 HG21 THR 32 HG21 THR 32 -4.266 -1.255 -5.033 97 HG22 THR 32 HG22 THR 32 -2.869 -1.845 -4.128 98 HG23 THR 32 HG23 THR 32 -4.453 -2.567 -3.866 99 HA PRO 33 HA PRO 33 -0.940 -5.254 -9.733 100 HB2 PRO 33 HB2 PRO 33 -0.577 -7.749 -8.601 101 HB3 PRO 33 HB3 PRO 33 0.612 -6.444 -8.510 102 HG2 PRO 33 HG2 PRO 33 -1.477 -7.214 -6.469 103 HG3 PRO 33 HG3 PRO 33 0.265 -6.934 -6.233 104 HD2 PRO 33 HD2 PRO 33 -1.502 -5.009 -5.655 105 HD3 PRO 33 HD3 PRO 33 0.043 -4.597 -6.440 106 H LYS 34 H LYS 34 -3.873 -5.405 -8.152 107 HA LYS 34 HA LYS 34 -4.981 -7.263 -10.180 108 HB2 LYS 34 HB2 LYS 34 -6.502 -6.609 -7.627 109 HB3 LYS 34 HB3 LYS 34 -6.735 -7.939 -8.745 110 HG2 LYS 34 HG2 LYS 34 -5.869 -8.991 -6.856 111 HG3 LYS 34 HG3 LYS 34 -4.451 -8.819 -7.889 112 HD2 LYS 34 HD2 LYS 34 -4.040 -8.275 -5.454 113 HD3 LYS 34 HD3 LYS 34 -3.615 -6.965 -6.561 114 HE2 LYS 34 HE2 LYS 34 -4.839 -6.199 -4.493 115 HE3 LYS 34 HE3 LYS 34 -5.625 -5.736 -6.001 116 HZ1 LYS 34 HZ1 LYS 34 -7.098 -7.711 -5.680 117 HZ2 LYS 34 HZ2 LYS 34 -7.284 -6.499 -4.524 118 HZ3 LYS 34 HZ3 LYS 34 -6.433 -7.903 -4.134 119 H GLU 35 H GLU 35 -5.703 -4.405 -8.156 120 HA GLU 35 HA GLU 35 -7.654 -3.391 -10.142 121 HB2 GLU 35 HB2 GLU 35 -9.361 -3.226 -8.318 122 HB3 GLU 35 HB3 GLU 35 -8.874 -4.901 -8.587 123 HG2 GLU 35 HG2 GLU 35 -7.243 -4.635 -6.641 124 HG3 GLU 35 HG3 GLU 35 -8.001 -3.079 -6.312 125 H LYS 36 H LYS 36 -8.716 -1.346 -8.716 126 HA LYS 36 HA LYS 36 -6.558 0.090 -7.280 127 HB2 LYS 36 HB2 LYS 36 -7.498 2.242 -8.135 128 HB3 LYS 36 HB3 LYS 36 -6.862 1.230 -9.428 129 HG2 LYS 36 HG2 LYS 36 -9.149 0.521 -10.018 130 HG3 LYS 36 HG3 LYS 36 -9.804 1.517 -8.717 131 HD2 LYS 36 HD2 LYS 36 -8.229 2.585 -11.097 132 HD3 LYS 36 HD3 LYS 36 -9.989 2.587 -10.978 133 HE2 LYS 36 HE2 LYS 36 -8.104 4.053 -9.098 134 HE3 LYS 36 HE3 LYS 36 -9.007 4.790 -10.420 135 HZ1 LYS 36 HZ1 LYS 36 -10.112 5.140 -8.339 136 HZ2 LYS 36 HZ2 LYS 36 -10.172 3.483 -8.027 137 HZ3 LYS 36 HZ3 LYS 36 -11.058 4.133 -9.311 138 H GLU 37 H GLU 37 -7.229 1.228 -5.461 139 HA GLU 37 HA GLU 37 -10.003 0.903 -4.475 140 HB2 GLU 37 HB2 GLU 37 -8.641 -1.038 -3.665 141 HB3 GLU 37 HB3 GLU 37 -7.473 0.072 -2.967 142 HG2 GLU 37 HG2 GLU 37 -8.862 -0.842 -1.214 143 HG3 GLU 37 HG3 GLU 37 -9.205 0.878 -1.375 144 H GLU 38 H GLU 38 -10.416 2.345 -2.607 145 HA GLU 38 HA GLU 38 -8.576 4.651 -2.398 146 HB2 GLU 38 HB2 GLU 38 -10.426 5.370 -3.761 147 HB3 GLU 38 HB3 GLU 38 -11.607 4.616 -2.713 148 HG2 GLU 38 HG2 GLU 38 -9.931 6.958 -1.766 149 HG3 GLU 38 HG3 GLU 38 -11.401 7.194 -2.704 150 H PHE 39 H PHE 39 -8.158 5.333 -0.363 151 HA PHE 39 HA PHE 39 -9.412 3.977 1.956 152 HB2 PHE 39 HB2 PHE 39 -6.459 4.699 1.613 153 HB3 PHE 39 HB3 PHE 39 -7.173 3.997 3.061 154 HD1 PHE 39 HD1 PHE 39 -6.106 3.324 -0.424 155 HD2 PHE 39 HD2 PHE 39 -7.680 1.615 3.169 156 HE1 PHE 39 HE1 PHE 39 -5.603 1.062 -1.268 157 HE2 PHE 39 HE2 PHE 39 -7.175 -0.634 2.319 158 HZ PHE 39 HZ PHE 39 -6.133 -0.913 0.108 159 H ALA 40 H ALA 40 -9.798 5.353 3.732 160 HA ALA 40 HA ALA 40 -9.294 8.250 3.334 161 HB1 ALA 40 HB1 ALA 40 -11.060 8.585 5.018 162 HB2 ALA 40 HB2 ALA 40 -11.239 6.837 5.191 163 HB3 ALA 40 HB3 ALA 40 -11.637 7.619 3.660 164 H VAL 41 H VAL 41 -7.697 9.162 4.483 165 HA VAL 41 HA VAL 41 -6.934 8.145 7.150 166 HB VAL 41 HB VAL 41 -4.501 8.404 6.616 167 HG11 VAL 41 HG11 VAL 41 -5.887 6.353 4.860 168 HG12 VAL 41 HG12 VAL 41 -5.475 6.155 6.565 169 HG13 VAL 41 HG13 VAL 41 -4.194 6.311 5.364 170 HG21 VAL 41 HG21 VAL 41 -4.595 9.930 4.704 171 HG22 VAL 41 HG22 VAL 41 -5.401 8.703 3.725 172 HG23 VAL 41 HG23 VAL 41 -3.735 8.458 4.251 173 HA PRO 42 HA PRO 42 -7.457 12.480 8.035 174 HB2 PRO 42 HB2 PRO 42 -6.315 12.675 10.510 175 HB3 PRO 42 HB3 PRO 42 -7.798 11.758 10.210 176 HG2 PRO 42 HG2 PRO 42 -4.954 10.727 10.351 177 HG3 PRO 42 HG3 PRO 42 -6.395 10.135 11.211 178 HD2 PRO 42 HD2 PRO 42 -5.537 8.933 8.963 179 HD3 PRO 42 HD3 PRO 42 -7.274 9.109 9.289 180 H GLU 43 H GLU 43 -4.953 11.912 6.421 181 HA GLU 43 HA GLU 43 -3.356 13.111 5.422 182 HB2 GLU 43 HB2 GLU 43 -4.317 15.461 7.118 183 HB3 GLU 43 HB3 GLU 43 -3.304 15.575 5.680 184 HG2 GLU 43 HG2 GLU 43 -5.174 14.668 4.314 185 HG3 GLU 43 HG3 GLU 43 -6.184 14.608 5.760 186 H ASN 44 H ASN 44 -3.090 11.979 8.308 187 HA ASN 44 HA ASN 44 -0.407 13.066 8.897 188 HB2 ASN 44 HB2 ASN 44 -2.114 14.035 10.442 189 HB3 ASN 44 HB3 ASN 44 -2.587 12.415 10.934 190 HD21 ASN 44 HD21 ASN 44 -0.004 14.797 11.031 191 HD22 ASN 44 HD22 ASN 44 0.805 14.139 12.409 192 H SER 45 H SER 45 -2.552 10.343 8.543 193 HA SER 45 HA SER 45 -1.122 8.310 9.767 194 HB2 SER 45 HB2 SER 45 -2.692 8.177 7.165 195 HB3 SER 45 HB3 SER 45 -2.211 6.789 8.146 196 HG SER 45 HG SER 45 -3.416 8.000 9.881 197 H SER 46 H SER 46 0.965 7.960 9.537 198 HA SER 46 HA SER 46 2.608 8.532 7.341 199 HB2 SER 46 HB2 SER 46 4.242 7.008 8.510 200 HB3 SER 46 HB3 SER 46 3.531 8.217 9.580 201 HG SER 46 HG SER 46 2.948 6.590 10.770 202 H VAL 47 H VAL 47 3.706 6.979 5.930 203 HA VAL 47 HA VAL 47 2.108 5.083 4.628 204 HB VAL 47 HB VAL 47 5.149 5.268 4.788 205 HG11 VAL 47 HG11 VAL 47 3.468 3.726 2.775 206 HG12 VAL 47 HG12 VAL 47 4.530 3.029 3.998 207 HG13 VAL 47 HG13 VAL 47 5.212 3.973 2.675 208 HG21 VAL 47 HG21 VAL 47 4.075 7.312 3.898 209 HG22 VAL 47 HG22 VAL 47 3.248 6.356 2.668 210 HG23 VAL 47 HG23 VAL 47 5.008 6.486 2.651 211 H GLN 48 H GLN 48 4.144 4.857 7.497 212 HA GLN 48 HA GLN 48 4.283 2.102 7.926 213 HB2 GLN 48 HB2 GLN 48 5.563 3.775 9.227 214 HB3 GLN 48 HB3 GLN 48 4.089 4.307 10.014 215 HG2 GLN 48 HG2 GLN 48 3.871 2.241 11.211 216 HG3 GLN 48 HG3 GLN 48 5.098 1.459 10.219 217 HE21 GLN 48 HE21 GLN 48 6.306 0.851 12.029 218 HE22 GLN 48 HE22 GLN 48 7.211 1.985 12.963 219 H GLN 49 H GLN 49 1.710 4.392 8.813 220 HA GLN 49 HA GLN 49 0.071 2.342 10.058 221 HB2 GLN 49 HB2 GLN 49 -0.032 4.649 10.913 222 HB3 GLN 49 HB3 GLN 49 -0.530 5.247 9.333 223 HG2 GLN 49 HG2 GLN 49 -2.633 3.918 9.530 224 HG3 GLN 49 HG3 GLN 49 -2.146 3.416 11.146 225 HE21 GLN 49 HE21 GLN 49 -4.502 4.890 10.254 226 HE22 GLN 49 HE22 GLN 49 -4.500 6.378 11.132 227 H PHE 50 H PHE 50 0.497 3.663 6.903 228 HA PHE 50 HA PHE 50 -2.210 3.360 5.997 229 HB2 PHE 50 HB2 PHE 50 -0.688 5.196 5.243 230 HB3 PHE 50 HB3 PHE 50 0.289 4.005 4.390 231 HD1 PHE 50 HD1 PHE 50 -3.405 4.689 4.667 232 HD2 PHE 50 HD2 PHE 50 -0.054 4.154 2.076 233 HE1 PHE 50 HE1 PHE 50 -4.863 4.945 2.717 234 HE2 PHE 50 HE2 PHE 50 -1.525 4.415 0.129 235 HZ PHE 50 HZ PHE 50 -3.934 4.810 0.450 236 H LYS 51 H LYS 51 0.879 1.669 5.269 237 HA LYS 51 HA LYS 51 -0.296 -0.062 3.334 238 HB2 LYS 51 HB2 LYS 51 1.786 -1.028 3.001 239 HB3 LYS 51 HB3 LYS 51 2.217 0.564 3.587 240 HG2 LYS 51 HG2 LYS 51 2.324 -2.027 5.165 241 HG3 LYS 51 HG3 LYS 51 3.691 -1.140 4.496 242 HD2 LYS 51 HD2 LYS 51 2.794 0.822 6.026 243 HD3 LYS 51 HD3 LYS 51 1.976 -0.476 6.890 244 HE2 LYS 51 HE2 LYS 51 4.968 -0.250 6.411 245 HE3 LYS 51 HE3 LYS 51 4.137 0.062 7.931 246 HZ1 LYS 51 HZ1 LYS 51 5.107 -2.081 7.987 247 HZ2 LYS 51 HZ2 LYS 51 4.358 -2.536 6.535 248 HZ3 LYS 51 HZ3 LYS 51 3.436 -2.273 7.911 249 H GLU 52 H GLU 52 -0.263 -0.130 6.745 250 HA GLU 52 HA GLU 52 -0.798 -2.840 7.309 251 HB2 GLU 52 HB2 GLU 52 -1.968 -0.385 8.682 252 HB3 GLU 52 HB3 GLU 52 -1.808 -1.991 9.383 253 HG2 GLU 52 HG2 GLU 52 0.550 -0.304 8.531 254 HG3 GLU 52 HG3 GLU 52 -0.144 -0.226 10.143 255 H GLU 53 H GLU 53 -2.989 -0.083 6.706 256 HA GLU 53 HA GLU 53 -5.457 -1.398 6.668 257 HB2 GLU 53 HB2 GLU 53 -4.559 1.115 5.199 258 HB3 GLU 53 HB3 GLU 53 -6.237 0.603 5.314 259 HG2 GLU 53 HG2 GLU 53 -4.452 1.388 7.634 260 HG3 GLU 53 HG3 GLU 53 -5.712 2.388 6.910 261 H ILE 54 H ILE 54 -3.139 -0.731 4.102 262 HA ILE 54 HA ILE 54 -4.614 -1.678 1.902 263 HB ILE 54 HB ILE 54 -1.582 -1.552 2.273 264 HG12 ILE 54 HG12 ILE 54 -3.488 0.507 1.041 265 HG13 ILE 54 HG13 ILE 54 -2.627 0.680 2.568 266 HG21 ILE 54 HG21 ILE 54 -1.418 -1.535 -0.167 267 HG22 ILE 54 HG22 ILE 54 -3.171 -1.678 -0.315 268 HG23 ILE 54 HG23 ILE 54 -2.228 -2.999 0.378 269 HD11 ILE 54 HD11 ILE 54 -1.319 0.488 -0.160 270 HD12 ILE 54 HD12 ILE 54 -0.491 0.725 1.386 271 HD13 ILE 54 HD13 ILE 54 -1.586 1.961 0.773 272 H SER 55 H SER 55 -2.249 -3.339 4.026 273 HA SER 55 HA SER 55 -1.952 -5.662 2.451 274 HB2 SER 55 HB2 SER 55 -1.363 -5.196 5.389 275 HB3 SER 55 HB3 SER 55 -0.900 -6.660 4.510 276 HG SER 55 HG SER 55 -0.200 -4.095 3.558 277 H LYS 56 H LYS 56 -3.987 -5.089 5.344 278 HA LYS 56 HA LYS 56 -5.141 -7.723 5.347 279 HB2 LYS 56 HB2 LYS 56 -6.705 -6.838 7.032 280 HB3 LYS 56 HB3 LYS 56 -5.061 -6.323 7.397 281 HG2 LYS 56 HG2 LYS 56 -5.543 -4.095 6.437 282 HG3 LYS 56 HG3 LYS 56 -7.197 -4.607 6.087 283 HD2 LYS 56 HD2 LYS 56 -7.601 -4.937 8.513 284 HD3 LYS 56 HD3 LYS 56 -5.950 -4.414 8.857 285 HE2 LYS 56 HE2 LYS 56 -6.479 -2.189 7.876 286 HE3 LYS 56 HE3 LYS 56 -8.136 -2.722 7.595 287 HZ1 LYS 56 HZ1 LYS 56 -8.458 -2.941 9.947 288 HZ2 LYS 56 HZ2 LYS 56 -7.848 -1.392 9.626 289 HZ3 LYS 56 HZ3 LYS 56 -6.836 -2.585 10.258 290 H ARG 57 H ARG 57 -5.858 -4.762 3.648 291 HA ARG 57 HA ARG 57 -8.531 -5.339 2.887 292 HB2 ARG 57 HB2 ARG 57 -6.983 -3.113 2.691 293 HB3 ARG 57 HB3 ARG 57 -6.773 -3.702 1.054 294 HG2 ARG 57 HG2 ARG 57 -8.579 -2.265 0.810 295 HG3 ARG 57 HG3 ARG 57 -9.405 -3.809 1.032 296 HD2 ARG 57 HD2 ARG 57 -8.954 -1.663 3.135 297 HD3 ARG 57 HD3 ARG 57 -10.483 -2.087 2.371 298 HE ARG 57 HE ARG 57 -9.964 -4.392 3.516 299 HH11 ARG 57 HH11 ARG 57 -9.433 -1.223 4.915 300 HH12 ARG 57 HH12 ARG 57 -9.762 -1.748 6.533 301 HH21 ARG 57 HH21 ARG 57 -10.333 -5.074 5.665 302 HH22 ARG 57 HH22 ARG 57 -10.250 -3.925 6.961 303 H PHE 58 H PHE 58 -5.374 -6.028 1.481 304 HA PHE 58 HA PHE 58 -6.607 -7.572 -0.732 305 HB2 PHE 58 HB2 PHE 58 -3.815 -6.352 -0.643 306 HB3 PHE 58 HB3 PHE 58 -4.585 -7.127 -2.028 307 HD1 PHE 58 HD1 PHE 58 -6.903 -6.057 -2.786 308 HD2 PHE 58 HD2 PHE 58 -3.951 -4.012 -0.480 309 HE1 PHE 58 HE1 PHE 58 -7.873 -3.900 -3.444 310 HE2 PHE 58 HE2 PHE 58 -4.931 -1.868 -1.133 311 HZ PHE 58 HZ PHE 58 -6.887 -1.810 -2.612 312 H LYS 59 H LYS 59 -5.696 -8.279 2.193 313 HA LYS 59 HA LYS 59 -5.237 -10.217 3.254 314 HB2 LYS 59 HB2 LYS 59 -5.766 -11.546 0.573 315 HB3 LYS 59 HB3 LYS 59 -5.971 -12.268 2.167 316 HG2 LYS 59 HG2 LYS 59 -7.596 -9.999 0.988 317 HG3 LYS 59 HG3 LYS 59 -8.133 -11.668 1.199 318 HD2 LYS 59 HD2 LYS 59 -8.023 -11.405 3.645 319 HD3 LYS 59 HD3 LYS 59 -7.402 -9.758 3.459 320 HE2 LYS 59 HE2 LYS 59 -10.140 -10.773 2.627 321 HE3 LYS 59 HE3 LYS 59 -9.778 -9.663 3.949 322 HZ1 LYS 59 HZ1 LYS 59 -10.607 -8.515 1.984 323 HZ2 LYS 59 HZ2 LYS 59 -9.319 -9.102 1.061 324 HZ3 LYS 59 HZ3 LYS 59 -9.028 -8.030 2.338 325 H SER 60 H SER 60 -2.979 -8.895 2.321 326 HA SER 60 HA SER 60 -1.019 -11.087 2.016 327 HB2 SER 60 HB2 SER 60 -0.814 -8.246 0.926 328 HB3 SER 60 HB3 SER 60 0.392 -9.520 0.739 329 HG SER 60 HG SER 60 -2.271 -9.786 -0.185 330 H HIS 61 H HIS 61 1.186 -10.332 2.879 331 HA HIS 61 HA HIS 61 0.822 -9.134 5.559 332 HB2 HIS 61 HB2 HIS 61 1.818 -11.421 5.392 333 HB3 HIS 61 HB3 HIS 61 3.144 -10.768 4.439 334 HD1 HIS 61 HD1 HIS 61 5.165 -10.128 5.761 335 HD2 HIS 61 HD2 HIS 61 1.761 -10.244 8.128 336 HE1 HIS 61 HE1 HIS 61 5.957 -9.693 8.098 337 HE2 HIS 61 HE2 HIS 61 3.855 -9.608 9.483 338 H THR 62 H THR 62 1.846 -7.240 6.130 339 HA THR 62 HA THR 62 2.301 -5.256 4.322 340 HB THR 62 HB THR 62 3.501 -4.043 6.263 341 HG1 THR 62 HG1 THR 62 4.163 -5.254 7.859 342 HG21 THR 62 HG21 THR 62 0.840 -5.379 6.887 343 HG22 THR 62 HG22 THR 62 1.048 -3.874 5.989 344 HG23 THR 62 HG23 THR 62 1.488 -3.951 7.696 345 H ASP 63 H ASP 63 4.735 -7.454 5.549 346 HA ASP 63 HA ASP 63 7.112 -6.145 4.943 347 HB2 ASP 63 HB2 ASP 63 6.938 -8.175 6.327 348 HB3 ASP 63 HB3 ASP 63 6.486 -9.122 4.915 349 H GLN 64 H GLN 64 4.985 -7.951 2.747 350 HA GLN 64 HA GLN 64 6.976 -7.850 0.568 351 HB2 GLN 64 HB2 GLN 64 5.582 -9.490 -0.577 352 HB3 GLN 64 HB3 GLN 64 5.927 -10.025 1.061 353 HG2 GLN 64 HG2 GLN 64 3.592 -8.989 1.625 354 HG3 GLN 64 HG3 GLN 64 3.316 -9.078 -0.106 355 HE21 GLN 64 HE21 GLN 64 4.830 -11.595 -0.416 356 HE22 GLN 64 HE22 GLN 64 3.826 -12.825 0.251 357 H LEU 65 H LEU 65 4.644 -5.825 1.690 358 HA LEU 65 HA LEU 65 3.824 -4.839 -0.980 359 HB2 LEU 65 HB2 LEU 65 2.736 -4.206 1.790 360 HB3 LEU 65 HB3 LEU 65 2.305 -3.279 0.364 361 HG LEU 65 HG LEU 65 1.478 -5.519 -0.638 362 HD11 LEU 65 HD11 LEU 65 2.525 -7.017 0.965 363 HD12 LEU 65 HD12 LEU 65 0.783 -7.235 0.927 364 HD13 LEU 65 HD13 LEU 65 1.528 -6.355 2.260 365 HD21 LEU 65 HD21 LEU 65 -0.032 -4.307 1.695 366 HD22 LEU 65 HD22 LEU 65 -0.728 -5.301 0.413 367 HD23 LEU 65 HD23 LEU 65 -0.043 -3.726 0.028 368 H VAL 66 H VAL 66 5.045 -3.287 -1.823 369 HA VAL 66 HA VAL 66 6.097 -1.142 -0.066 370 HB VAL 66 HB VAL 66 7.910 -0.750 -1.768 371 HG11 VAL 66 HG11 VAL 66 7.939 -3.541 -0.536 372 HG12 VAL 66 HG12 VAL 66 8.407 -2.045 0.274 373 HG13 VAL 66 HG13 VAL 66 9.353 -2.638 -1.088 374 HG21 VAL 66 HG21 VAL 66 6.856 -1.817 -3.744 375 HG22 VAL 66 HG22 VAL 66 7.013 -3.403 -2.989 376 HG23 VAL 66 HG23 VAL 66 8.457 -2.492 -3.441 377 H LEU 67 H LEU 67 5.288 0.807 -0.450 378 HA LEU 67 HA LEU 67 3.676 1.374 -2.823 379 HB2 LEU 67 HB2 LEU 67 4.361 2.999 -0.347 380 HB3 LEU 67 HB3 LEU 67 3.427 3.645 -1.689 381 HG LEU 67 HG LEU 67 2.572 1.280 0.032 382 HD11 LEU 67 HD11 LEU 67 2.521 3.389 1.295 383 HD12 LEU 67 HD12 LEU 67 0.897 2.801 0.973 384 HD13 LEU 67 HD13 LEU 67 1.549 4.139 0.027 385 HD21 LEU 67 HD21 LEU 67 0.389 1.515 -1.107 386 HD22 LEU 67 HD22 LEU 67 1.666 1.106 -2.249 387 HD23 LEU 67 HD23 LEU 67 1.063 2.764 -2.158 388 H ILE 68 H ILE 68 4.230 2.967 -4.324 389 HA ILE 68 HA ILE 68 6.860 4.266 -4.175 390 HB ILE 68 HB ILE 68 5.756 2.965 -6.727 391 HG12 ILE 68 HG12 ILE 68 8.159 1.806 -6.579 392 HG13 ILE 68 HG13 ILE 68 8.016 2.147 -4.865 393 HG21 ILE 68 HG21 ILE 68 6.830 5.089 -7.264 394 HG22 ILE 68 HG22 ILE 68 7.845 3.763 -7.825 395 HG23 ILE 68 HG23 ILE 68 8.270 4.633 -6.350 396 HD11 ILE 68 HD11 ILE 68 6.131 0.465 -6.515 397 HD12 ILE 68 HD12 ILE 68 5.955 0.806 -4.791 398 HD13 ILE 68 HD13 ILE 68 7.340 -0.116 -5.372 399 H PHE 69 H PHE 69 6.737 6.378 -4.633 400 HA PHE 69 HA PHE 69 4.727 7.472 -6.413 401 HB2 PHE 69 HB2 PHE 69 3.635 7.531 -4.121 402 HB3 PHE 69 HB3 PHE 69 4.925 8.597 -3.577 403 HD1 PHE 69 HD1 PHE 69 1.933 8.333 -5.756 404 HD2 PHE 69 HD2 PHE 69 4.953 10.978 -4.272 405 HE1 PHE 69 HE1 PHE 69 0.658 10.272 -6.577 406 HE2 PHE 69 HE2 PHE 69 3.670 12.898 -5.096 407 HZ PHE 69 HZ PHE 69 1.522 12.552 -6.253 408 H ALA 70 H ALA 70 5.461 9.218 -7.464 409 HA ALA 70 HA ALA 70 6.813 10.784 -8.341 410 HB1 ALA 70 HB1 ALA 70 8.045 12.279 -6.831 411 HB2 ALA 70 HB2 ALA 70 7.847 11.132 -5.505 412 HB3 ALA 70 HB3 ALA 70 6.435 11.932 -6.195 413 H GLY 71 H GLY 71 7.773 7.907 -7.898 414 HA2 GLY 71 HA2 GLY 71 9.417 6.899 -9.235 415 HA3 GLY 71 HA3 GLY 71 10.418 8.332 -9.098 416 H LYS 72 H LYS 72 9.233 7.446 -6.022 417 HA LYS 72 HA LYS 72 11.598 5.746 -5.436 418 HB2 LYS 72 HB2 LYS 72 12.137 7.011 -3.434 419 HB3 LYS 72 HB3 LYS 72 12.132 8.098 -4.812 420 HG2 LYS 72 HG2 LYS 72 11.008 9.442 -3.335 421 HG3 LYS 72 HG3 LYS 72 9.619 8.564 -3.958 422 HD2 LYS 72 HD2 LYS 72 9.467 8.712 -1.521 423 HD3 LYS 72 HD3 LYS 72 9.738 7.033 -1.981 424 HE2 LYS 72 HE2 LYS 72 12.123 7.243 -1.396 425 HE3 LYS 72 HE3 LYS 72 11.880 8.935 -0.957 426 HZ1 LYS 72 HZ1 LYS 72 10.353 8.203 0.795 427 HZ2 LYS 72 HZ2 LYS 72 11.882 7.511 0.988 428 HZ3 LYS 72 HZ3 LYS 72 10.618 6.587 0.361 429 H ILE 73 H ILE 73 11.385 4.358 -3.700 430 HA ILE 73 HA ILE 73 8.767 3.358 -3.138 431 HB ILE 73 HB ILE 73 9.772 1.618 -1.800 432 HG12 ILE 73 HG12 ILE 73 11.480 2.891 -0.500 433 HG13 ILE 73 HG13 ILE 73 12.164 1.443 -1.215 434 HG21 ILE 73 HG21 ILE 73 11.335 0.597 -3.437 435 HG22 ILE 73 HG22 ILE 73 11.470 2.154 -4.257 436 HG23 ILE 73 HG23 ILE 73 9.917 1.315 -4.210 437 HD11 ILE 73 HD11 ILE 73 13.703 3.310 -1.305 438 HD12 ILE 73 HD12 ILE 73 12.535 4.258 -2.229 439 HD13 ILE 73 HD13 ILE 73 13.245 2.801 -2.929 440 H LEU 74 H LEU 74 7.405 4.105 -1.657 441 HA LEU 74 HA LEU 74 8.085 5.944 0.425 442 HB2 LEU 74 HB2 LEU 74 5.498 4.377 0.086 443 HB3 LEU 74 HB3 LEU 74 5.739 5.801 1.084 444 HG LEU 74 HG LEU 74 5.738 5.684 -1.947 445 HD11 LEU 74 HD11 LEU 74 3.774 7.174 -1.756 446 HD12 LEU 74 HD12 LEU 74 3.853 7.050 0.002 447 HD13 LEU 74 HD13 LEU 74 3.502 5.621 -0.971 448 HD21 LEU 74 HD21 LEU 74 6.068 8.141 -1.919 449 HD22 LEU 74 HD22 LEU 74 7.457 7.295 -1.246 450 HD23 LEU 74 HD23 LEU 74 6.306 8.091 -0.169 451 H LYS 75 H LYS 75 8.970 5.397 2.271 452 HA LYS 75 HA LYS 75 8.822 2.656 3.349 453 HB2 LYS 75 HB2 LYS 75 10.683 4.995 3.972 454 HB3 LYS 75 HB3 LYS 75 10.762 3.421 4.761 455 HG2 LYS 75 HG2 LYS 75 11.137 3.872 1.775 456 HG3 LYS 75 HG3 LYS 75 12.455 3.720 2.937 457 HD2 LYS 75 HD2 LYS 75 10.378 1.567 2.353 458 HD3 LYS 75 HD3 LYS 75 12.019 1.603 1.703 459 HE2 LYS 75 HE2 LYS 75 12.957 1.380 3.956 460 HE3 LYS 75 HE3 LYS 75 11.344 1.472 4.664 461 HZ1 LYS 75 HZ1 LYS 75 12.193 -0.801 4.513 462 HZ2 LYS 75 HZ2 LYS 75 12.246 -0.678 2.827 463 HZ3 LYS 75 HZ3 LYS 75 10.766 -0.588 3.640 464 H ASP 76 H ASP 76 8.818 2.610 5.811 465 HA ASP 76 HA ASP 76 6.354 3.626 6.740 466 HB2 ASP 76 HB2 ASP 76 6.830 2.473 8.789 467 HB3 ASP 76 HB3 ASP 76 7.481 1.493 7.489 468 H GLN 77 H GLN 77 9.579 4.899 6.933 469 HA GLN 77 HA GLN 77 9.163 6.820 9.026 470 HB2 GLN 77 HB2 GLN 77 11.333 7.732 8.360 471 HB3 GLN 77 HB3 GLN 77 11.406 5.977 8.468 472 HG2 GLN 77 HG2 GLN 77 11.285 5.804 6.008 473 HG3 GLN 77 HG3 GLN 77 11.172 7.561 5.878 474 HE21 GLN 77 HE21 GLN 77 13.040 8.818 6.328 475 HE22 GLN 77 HE22 GLN 77 14.622 8.122 6.351 476 H ASP 78 H ASP 78 8.469 6.763 5.618 477 HA ASP 78 HA ASP 78 8.091 9.624 5.287 478 HB2 ASP 78 HB2 ASP 78 7.210 7.274 3.538 479 HB3 ASP 78 HB3 ASP 78 7.041 8.964 3.082 480 H THR 79 H THR 79 6.031 10.681 5.109 481 HA THR 79 HA THR 79 3.612 9.007 5.547 482 HB THR 79 HB THR 79 2.370 10.925 6.326 483 HG1 THR 79 HG1 THR 79 3.706 12.989 6.562 484 HG21 THR 79 HG21 THR 79 3.559 11.658 8.350 485 HG22 THR 79 HG22 THR 79 5.080 11.044 7.700 486 HG23 THR 79 HG23 THR 79 3.774 9.927 8.092 487 H LEU 80 H LEU 80 1.994 9.195 4.028 488 HA LEU 80 HA LEU 80 2.673 9.755 1.381 489 HB2 LEU 80 HB2 LEU 80 0.091 9.626 1.023 490 HB3 LEU 80 HB3 LEU 80 0.968 8.222 1.582 491 HG LEU 80 HG LEU 80 0.217 8.868 3.973 492 HD11 LEU 80 HD11 LEU 80 -1.879 10.126 4.189 493 HD12 LEU 80 HD12 LEU 80 -1.781 10.579 2.484 494 HD13 LEU 80 HD13 LEU 80 -0.550 11.132 3.619 495 HD21 LEU 80 HD21 LEU 80 -0.664 6.939 2.797 496 HD22 LEU 80 HD22 LEU 80 -1.863 7.947 1.975 497 HD23 LEU 80 HD23 LEU 80 -1.942 7.725 3.728 498 H SER 81 H SER 81 1.108 11.799 3.777 499 HA SER 81 HA SER 81 0.281 13.951 2.156 500 HB2 SER 81 HB2 SER 81 -0.538 13.545 4.467 501 HB3 SER 81 HB3 SER 81 1.063 13.912 5.107 502 HG SER 81 HG SER 81 0.641 15.959 4.934 503 H GLN 82 H GLN 82 3.311 13.276 3.865 504 HA GLN 82 HA GLN 82 4.604 15.785 3.446 505 HB2 GLN 82 HB2 GLN 82 5.221 14.200 5.236 506 HB3 GLN 82 HB3 GLN 82 5.724 13.016 4.039 507 HG2 GLN 82 HG2 GLN 82 7.574 14.493 3.354 508 HG3 GLN 82 HG3 GLN 82 7.054 15.698 4.536 509 HE21 GLN 82 HE21 GLN 82 7.269 15.186 6.788 510 HE22 GLN 82 HE22 GLN 82 8.400 13.995 7.322 511 H HIS 83 H HIS 83 4.280 12.848 1.506 512 HA HIS 83 HA HIS 83 6.412 13.713 -0.333 513 HB2 HIS 83 HB2 HIS 83 6.121 11.264 0.602 514 HB3 HIS 83 HB3 HIS 83 4.895 11.105 -0.653 515 HD1 HIS 83 HD1 HIS 83 8.522 12.211 -0.370 516 HD2 HIS 83 HD2 HIS 83 5.987 10.331 -3.069 517 HE1 HIS 83 HE1 HIS 83 9.952 11.640 -2.345 518 HE2 HIS 83 HE2 HIS 83 8.393 10.517 -3.974 519 H GLY 84 H GLY 84 3.488 14.794 -0.091 520 HA2 GLY 84 HA2 GLY 84 2.627 16.306 -1.650 521 HA3 GLY 84 HA3 GLY 84 3.469 15.472 -2.940 522 H ILE 85 H ILE 85 1.682 13.366 -0.922 523 HA ILE 85 HA ILE 85 -0.327 12.946 -3.028 524 HB ILE 85 HB ILE 85 0.134 11.350 -0.461 525 HG12 ILE 85 HG12 ILE 85 1.138 10.681 -3.272 526 HG13 ILE 85 HG13 ILE 85 2.140 11.414 -2.028 527 HG21 ILE 85 HG21 ILE 85 -1.413 10.613 -2.980 528 HG22 ILE 85 HG22 ILE 85 -2.117 11.002 -1.409 529 HG23 ILE 85 HG23 ILE 85 -1.139 9.546 -1.599 530 HD11 ILE 85 HD11 ILE 85 1.965 9.432 -0.669 531 HD12 ILE 85 HD12 ILE 85 2.515 9.017 -2.292 532 HD13 ILE 85 HD13 ILE 85 0.847 8.705 -1.824 533 H HIS 86 H HIS 86 -2.547 13.188 -2.660 534 HA HIS 86 HA HIS 86 -3.597 14.194 -0.150 535 HB2 HIS 86 HB2 HIS 86 -2.509 16.139 -1.714 536 HB3 HIS 86 HB3 HIS 86 -4.086 16.048 -2.487 537 HD1 HIS 86 HD1 HIS 86 -5.929 17.370 -1.359 538 HD2 HIS 86 HD2 HIS 86 -2.683 16.756 1.142 539 HE1 HIS 86 HE1 HIS 86 -6.404 18.712 0.700 540 HE2 HIS 86 HE2 HIS 86 -4.536 18.141 2.277 541 H ASP 87 H ASP 87 -6.080 14.962 -0.764 542 HA ASP 87 HA ASP 87 -7.345 12.530 -1.403 543 HB2 ASP 87 HB2 ASP 87 -9.473 13.689 -1.131 544 HB3 ASP 87 HB3 ASP 87 -8.355 14.211 0.121 545 H GLY 88 H GLY 88 -8.042 11.660 -3.288 546 HA2 GLY 88 HA2 GLY 88 -8.954 11.638 -5.458 547 HA3 GLY 88 HA3 GLY 88 -8.448 13.301 -5.695 548 H LEU 89 H LEU 89 -5.743 12.065 -4.435 549 HA LEU 89 HA LEU 89 -4.537 11.524 -7.062 550 HB2 LEU 89 HB2 LEU 89 -3.244 11.938 -4.336 551 HB3 LEU 89 HB3 LEU 89 -2.357 11.667 -5.831 552 HG LEU 89 HG LEU 89 -4.070 14.101 -5.166 553 HD11 LEU 89 HD11 LEU 89 -1.879 14.114 -4.059 554 HD12 LEU 89 HD12 LEU 89 -1.952 15.343 -5.320 555 HD13 LEU 89 HD13 LEU 89 -1.076 13.838 -5.610 556 HD21 LEU 89 HD21 LEU 89 -2.588 13.465 -7.748 557 HD22 LEU 89 HD22 LEU 89 -3.348 15.009 -7.360 558 HD23 LEU 89 HD23 LEU 89 -4.341 13.568 -7.547 559 H THR 90 H THR 90 -2.889 9.794 -7.200 560 HA THR 90 HA THR 90 -3.837 7.280 -5.944 561 HB THR 90 HB THR 90 -2.594 7.579 -8.729 562 HG1 THR 90 HG1 THR 90 -4.753 8.592 -8.334 563 HG21 THR 90 HG21 THR 90 -3.512 5.312 -9.119 564 HG22 THR 90 HG22 THR 90 -4.129 5.261 -7.468 565 HG23 THR 90 HG23 THR 90 -2.387 5.293 -7.758 566 H VAL 91 H VAL 91 -2.247 5.703 -5.454 567 HA VAL 91 HA VAL 91 0.616 6.464 -5.593 568 HB VAL 91 HB VAL 91 -0.588 4.725 -3.381 569 HG11 VAL 91 HG11 VAL 91 2.095 6.145 -3.563 570 HG12 VAL 91 HG12 VAL 91 1.819 4.410 -3.731 571 HG13 VAL 91 HG13 VAL 91 1.527 5.205 -2.182 572 HG21 VAL 91 HG21 VAL 91 -0.020 7.702 -3.220 573 HG22 VAL 91 HG22 VAL 91 -0.454 6.666 -1.859 574 HG23 VAL 91 HG23 VAL 91 -1.609 6.933 -3.163 575 H HIS 92 H HIS 92 2.002 4.747 -6.183 576 HA HIS 92 HA HIS 92 0.734 2.427 -7.464 577 HB2 HIS 92 HB2 HIS 92 3.644 3.332 -7.340 578 HB3 HIS 92 HB3 HIS 92 3.106 1.878 -8.179 579 HD1 HIS 92 HD1 HIS 92 1.941 2.185 -10.450 580 HD2 HIS 92 HD2 HIS 92 2.949 5.771 -8.618 581 HE1 HIS 92 HE1 HIS 92 1.630 3.945 -12.203 582 HE2 HIS 92 HE2 HIS 92 2.372 6.085 -11.113 583 H LEU 93 H LEU 93 0.775 0.352 -6.653 584 HA LEU 93 HA LEU 93 2.424 -0.225 -4.250 585 HB2 LEU 93 HB2 LEU 93 0.051 -0.088 -3.617 586 HB3 LEU 93 HB3 LEU 93 -0.375 -1.233 -4.881 587 HG LEU 93 HG LEU 93 1.059 -2.962 -3.678 588 HD11 LEU 93 HD11 LEU 93 1.067 -0.937 -1.420 589 HD12 LEU 93 HD12 LEU 93 2.470 -1.458 -2.355 590 HD13 LEU 93 HD13 LEU 93 1.627 -2.609 -1.327 591 HD21 LEU 93 HD21 LEU 93 -1.326 -1.847 -2.188 592 HD22 LEU 93 HD22 LEU 93 -0.629 -3.452 -1.953 593 HD23 LEU 93 HD23 LEU 93 -1.351 -3.026 -3.500 594 H VAL 94 H VAL 94 3.616 -1.995 -4.337 595 HA VAL 94 HA VAL 94 3.170 -4.016 -6.470 596 HB VAL 94 HB VAL 94 5.871 -3.091 -5.349 597 HG11 VAL 94 HG11 VAL 94 5.290 -5.177 -7.486 598 HG12 VAL 94 HG12 VAL 94 5.920 -5.491 -5.870 599 HG13 VAL 94 HG13 VAL 94 6.898 -4.595 -7.031 600 HG21 VAL 94 HG21 VAL 94 4.947 -1.430 -6.918 601 HG22 VAL 94 HG22 VAL 94 4.699 -2.687 -8.132 602 HG23 VAL 94 HG23 VAL 94 6.336 -2.250 -7.639 603 H ILE 95 H ILE 95 2.308 -5.720 -5.444 604 HA ILE 95 HA ILE 95 3.319 -6.553 -2.786 605 HB ILE 95 HB ILE 95 0.960 -7.792 -4.287 606 HG12 ILE 95 HG12 ILE 95 0.843 -5.518 -2.245 607 HG13 ILE 95 HG13 ILE 95 0.414 -5.402 -3.945 608 HG21 ILE 95 HG21 ILE 95 0.326 -8.625 -2.037 609 HG22 ILE 95 HG22 ILE 95 1.737 -7.828 -1.341 610 HG23 ILE 95 HG23 ILE 95 1.948 -9.159 -2.479 611 HD11 ILE 95 HD11 ILE 95 -1.031 -7.015 -1.840 612 HD12 ILE 95 HD12 ILE 95 -1.444 -6.988 -3.558 613 HD13 ILE 95 HD13 ILE 95 -1.572 -5.514 -2.595 614 H LYS 96 H LYS 96 4.525 -8.410 -2.631 615 HA LYS 96 HA LYS 96 5.106 -9.918 -5.112 616 HB2 LYS 96 HB2 LYS 96 6.862 -8.799 -3.349 617 HB3 LYS 96 HB3 LYS 96 6.681 -10.364 -2.578 618 HG2 LYS 96 HG2 LYS 96 7.577 -9.921 -5.450 619 HG3 LYS 96 HG3 LYS 96 8.657 -10.211 -4.090 620 HD2 LYS 96 HD2 LYS 96 6.571 -12.185 -5.123 621 HD3 LYS 96 HD3 LYS 96 8.296 -12.242 -5.488 622 HE2 LYS 96 HE2 LYS 96 7.033 -12.552 -2.746 623 HE3 LYS 96 HE3 LYS 96 7.735 -13.845 -3.713 624 HZ1 LYS 96 HZ1 LYS 96 9.242 -13.119 -1.999 625 HZ2 LYS 96 HZ2 LYS 96 9.205 -11.536 -2.569 626 HZ3 LYS 96 HZ3 LYS 96 9.883 -12.757 -3.516 627 H THR 97 H THR 97 2.781 -10.712 -4.692 628 HA THR 97 HA THR 97 2.905 -13.228 -3.110 629 HB THR 97 HB THR 97 0.314 -13.108 -3.186 630 HG1 THR 97 HG1 THR 97 -0.035 -10.534 -3.193 631 HG21 THR 97 HG21 THR 97 1.816 -11.030 -1.550 632 HG22 THR 97 HG22 THR 97 1.516 -12.710 -1.084 633 HG23 THR 97 HG23 THR 97 0.167 -11.578 -1.234 634 H GLN 98 H GLN 98 0.420 -12.459 -5.515 635 HA GLN 98 HA GLN 98 1.449 -13.396 -7.871 636 HB2 GLN 98 HB2 GLN 98 0.385 -15.711 -8.090 637 HB3 GLN 98 HB3 GLN 98 1.793 -15.645 -7.045 638 HG2 GLN 98 HG2 GLN 98 0.385 -15.746 -5.056 639 HG3 GLN 98 HG3 GLN 98 -1.071 -15.668 -6.045 640 HE21 GLN 98 HE21 GLN 98 1.621 -17.667 -5.066 641 HE22 GLN 98 HE22 GLN 98 0.943 -19.175 -5.568 642 H ASN 99 H ASN 99 -1.473 -13.880 -5.867 643 HA ASN 99 HA ASN 99 -2.992 -11.894 -7.195 644 HB2 ASN 99 HB2 ASN 99 -4.803 -13.272 -8.150 645 HB3 ASN 99 HB3 ASN 99 -3.280 -13.624 -8.947 646 HD21 ASN 99 HD21 ASN 99 -5.742 -15.220 -8.762 647 HD22 ASN 99 HD22 ASN 99 -5.279 -16.741 -8.077 648 H ARG 100 H ARG 100 -3.946 -11.032 -5.490 649 HA ARG 100 HA ARG 100 -5.085 -12.722 -3.350 650 HB2 ARG 100 HB2 ARG 100 -3.193 -10.354 -3.077 651 HB3 ARG 100 HB3 ARG 100 -4.229 -10.864 -1.753 652 HG2 ARG 100 HG2 ARG 100 -2.140 -12.617 -3.081 653 HG3 ARG 100 HG3 ARG 100 -1.909 -11.725 -1.572 654 HD2 ARG 100 HD2 ARG 100 -3.784 -13.008 -0.551 655 HD3 ARG 100 HD3 ARG 100 -3.944 -13.935 -2.049 656 HE ARG 100 HE ARG 100 -1.406 -14.436 -1.506 657 HH11 ARG 100 HH11 ARG 100 -4.096 -14.369 0.762 658 HH12 ARG 100 HH12 ARG 100 -3.409 -15.582 1.797 659 HH21 ARG 100 HH21 ARG 100 -0.524 -16.014 -0.142 660 HH22 ARG 100 HH22 ARG 100 -1.393 -16.514 1.272 661 HA PRO 101 HA PRO 101 -8.498 -9.957 -4.298 662 HB2 PRO 101 HB2 PRO 101 -10.160 -11.156 -2.236 663 HB3 PRO 101 HB3 PRO 101 -10.179 -11.480 -3.969 664 HG2 PRO 101 HG2 PRO 101 -9.358 -13.308 -2.046 665 HG3 PRO 101 HG3 PRO 101 -8.870 -13.361 -3.751 666 HD2 PRO 101 HD2 PRO 101 -7.353 -12.274 -1.378 667 HD3 PRO 101 HD3 PRO 101 -6.760 -13.234 -2.756 Start of MODEL 19 1 HA PRO 23 HA PRO 23 -12.822 19.160 6.068 2 HB2 PRO 23 HB2 PRO 23 -12.181 17.763 8.426 3 HB3 PRO 23 HB3 PRO 23 -12.105 19.522 8.223 4 HG2 PRO 23 HG2 PRO 23 -14.315 17.839 9.370 5 HG3 PRO 23 HG3 PRO 23 -13.715 19.421 9.911 6 HD2 PRO 23 HD2 PRO 23 -16.004 19.222 8.511 7 HD3 PRO 23 HD3 PRO 23 -14.901 20.583 8.240 8 H LYS 24 H LYS 24 -12.569 17.682 4.493 9 HA LYS 24 HA LYS 24 -13.619 15.001 4.579 10 HB2 LYS 24 HB2 LYS 24 -13.370 16.283 2.435 11 HB3 LYS 24 HB3 LYS 24 -11.620 16.241 2.619 12 HG2 LYS 24 HG2 LYS 24 -11.678 13.766 2.461 13 HG3 LYS 24 HG3 LYS 24 -13.424 13.818 2.268 14 HD2 LYS 24 HD2 LYS 24 -11.456 15.082 0.323 15 HD3 LYS 24 HD3 LYS 24 -12.120 13.456 0.140 16 HE2 LYS 24 HE2 LYS 24 -13.438 14.869 -1.267 17 HE3 LYS 24 HE3 LYS 24 -14.429 14.523 0.145 18 HZ1 LYS 24 HZ1 LYS 24 -14.546 16.848 -0.548 19 HZ2 LYS 24 HZ2 LYS 24 -12.890 17.034 -0.270 20 HZ3 LYS 24 HZ3 LYS 24 -13.935 16.699 1.016 21 H ILE 25 H ILE 25 -12.532 13.112 4.902 22 HA ILE 25 HA ILE 25 -9.900 13.108 6.219 23 HB ILE 25 HB ILE 25 -11.902 11.712 6.983 24 HG12 ILE 25 HG12 ILE 25 -9.391 10.099 6.348 25 HG13 ILE 25 HG13 ILE 25 -9.527 11.248 7.675 26 HG21 ILE 25 HG21 ILE 25 -11.246 9.974 4.572 27 HG22 ILE 25 HG22 ILE 25 -12.706 10.946 4.776 28 HG23 ILE 25 HG23 ILE 25 -12.398 9.589 5.857 29 HD11 ILE 25 HD11 ILE 25 -9.800 9.042 8.501 30 HD12 ILE 25 HD12 ILE 25 -11.067 8.697 7.327 31 HD13 ILE 25 HD13 ILE 25 -11.349 9.878 8.610 32 H MET 26 H MET 26 -8.187 11.561 5.307 33 HA MET 26 HA MET 26 -7.823 12.413 2.551 34 HB2 MET 26 HB2 MET 26 -6.025 12.547 4.338 35 HB3 MET 26 HB3 MET 26 -5.908 10.795 4.299 36 HG2 MET 26 HG2 MET 26 -5.115 10.848 2.032 37 HG3 MET 26 HG3 MET 26 -5.439 12.574 1.909 38 HE1 MET 26 HE1 MET 26 -3.068 9.810 3.448 39 HE2 MET 26 HE2 MET 26 -3.698 10.557 4.917 40 HE3 MET 26 HE3 MET 26 -2.008 10.785 4.462 41 H LYS 27 H LYS 27 -8.907 11.256 1.114 42 HA LYS 27 HA LYS 27 -9.458 8.422 1.348 43 HB2 LYS 27 HB2 LYS 27 -10.112 10.216 -1.023 44 HB3 LYS 27 HB3 LYS 27 -10.883 8.697 -0.588 45 HG2 LYS 27 HG2 LYS 27 -11.119 11.330 0.908 46 HG3 LYS 27 HG3 LYS 27 -12.344 10.607 -0.132 47 HD2 LYS 27 HD2 LYS 27 -11.333 9.470 2.506 48 HD3 LYS 27 HD3 LYS 27 -12.878 10.278 2.243 49 HE2 LYS 27 HE2 LYS 27 -12.008 7.607 1.077 50 HE3 LYS 27 HE3 LYS 27 -13.225 7.861 2.327 51 HZ1 LYS 27 HZ1 LYS 27 -13.382 8.641 -0.527 52 HZ2 LYS 27 HZ2 LYS 27 -14.498 9.142 0.641 53 HZ3 LYS 27 HZ3 LYS 27 -14.328 7.501 0.281 54 H VAL 28 H VAL 28 -7.488 7.393 1.125 55 HA VAL 28 HA VAL 28 -5.748 8.055 -1.161 56 HB VAL 28 HB VAL 28 -5.107 6.223 1.198 57 HG11 VAL 28 HG11 VAL 28 -2.770 6.580 0.521 58 HG12 VAL 28 HG12 VAL 28 -3.301 7.572 -0.836 59 HG13 VAL 28 HG13 VAL 28 -3.708 5.857 -0.784 60 HG21 VAL 28 HG21 VAL 28 -5.635 8.466 2.043 61 HG22 VAL 28 HG22 VAL 28 -4.485 9.188 0.911 62 HG23 VAL 28 HG23 VAL 28 -3.913 8.126 2.199 63 H THR 29 H THR 29 -6.240 6.933 -2.929 64 HA THR 29 HA THR 29 -7.285 4.225 -2.846 65 HB THR 29 HB THR 29 -6.454 5.983 -5.212 66 HG1 THR 29 HG1 THR 29 -8.601 6.054 -3.583 67 HG21 THR 29 HG21 THR 29 -8.113 3.428 -5.142 68 HG22 THR 29 HG22 THR 29 -6.487 3.581 -5.822 69 HG23 THR 29 HG23 THR 29 -7.850 4.434 -6.555 70 H VAL 30 H VAL 30 -5.943 2.534 -2.676 71 HA VAL 30 HA VAL 30 -3.169 2.665 -3.692 72 HB VAL 30 HB VAL 30 -4.489 0.795 -1.666 73 HG11 VAL 30 HG11 VAL 30 -1.637 0.687 -2.733 74 HG12 VAL 30 HG12 VAL 30 -2.899 -0.517 -2.988 75 HG13 VAL 30 HG13 VAL 30 -2.254 -0.255 -1.370 76 HG21 VAL 30 HG21 VAL 30 -3.917 3.004 -0.760 77 HG22 VAL 30 HG22 VAL 30 -2.262 2.863 -1.357 78 HG23 VAL 30 HG23 VAL 30 -2.839 1.783 -0.083 79 H LYS 31 H LYS 31 -2.598 1.424 -5.387 80 HA LYS 31 HA LYS 31 -4.584 -0.445 -6.555 81 HB2 LYS 31 HB2 LYS 31 -4.280 1.949 -7.626 82 HB3 LYS 31 HB3 LYS 31 -2.769 1.310 -8.249 83 HG2 LYS 31 HG2 LYS 31 -5.471 0.038 -8.780 84 HG3 LYS 31 HG3 LYS 31 -4.770 1.271 -9.827 85 HD2 LYS 31 HD2 LYS 31 -2.862 -0.216 -10.306 86 HD3 LYS 31 HD3 LYS 31 -3.526 -1.439 -9.223 87 HE2 LYS 31 HE2 LYS 31 -4.035 -2.052 -11.514 88 HE3 LYS 31 HE3 LYS 31 -5.538 -1.600 -10.707 89 HZ1 LYS 31 HZ1 LYS 31 -5.352 0.590 -11.740 90 HZ2 LYS 31 HZ2 LYS 31 -5.431 -0.645 -12.886 91 HZ3 LYS 31 HZ3 LYS 31 -3.953 0.093 -12.549 92 H THR 32 H THR 32 -3.792 -2.329 -7.137 93 HA THR 32 HA THR 32 -0.909 -2.970 -6.857 94 HB THR 32 HB THR 32 -1.595 -5.188 -6.038 95 HG1 THR 32 HG1 THR 32 -4.317 -4.355 -6.135 96 HG21 THR 32 HG21 THR 32 -1.476 -3.446 -4.325 97 HG22 THR 32 HG22 THR 32 -2.749 -4.605 -3.934 98 HG23 THR 32 HG23 THR 32 -3.165 -3.021 -4.605 99 HA PRO 33 HA PRO 33 -1.143 -4.782 -11.012 100 HB2 PRO 33 HB2 PRO 33 0.272 -7.141 -10.746 101 HB3 PRO 33 HB3 PRO 33 1.029 -5.545 -10.848 102 HG2 PRO 33 HG2 PRO 33 0.395 -7.175 -8.390 103 HG3 PRO 33 HG3 PRO 33 1.899 -6.321 -8.807 104 HD2 PRO 33 HD2 PRO 33 0.115 -5.234 -7.115 105 HD3 PRO 33 HD3 PRO 33 1.004 -4.225 -8.274 106 H LYS 34 H LYS 34 -2.859 -6.055 -8.425 107 HA LYS 34 HA LYS 34 -4.210 -8.127 -10.033 108 HB2 LYS 34 HB2 LYS 34 -4.384 -7.607 -7.022 109 HB3 LYS 34 HB3 LYS 34 -5.203 -8.900 -7.888 110 HG2 LYS 34 HG2 LYS 34 -3.385 -10.022 -6.962 111 HG3 LYS 34 HG3 LYS 34 -2.796 -9.658 -8.582 112 HD2 LYS 34 HD2 LYS 34 -1.625 -7.622 -7.596 113 HD3 LYS 34 HD3 LYS 34 -2.097 -8.205 -5.999 114 HE2 LYS 34 HE2 LYS 34 -0.278 -9.607 -7.986 115 HE3 LYS 34 HE3 LYS 34 0.200 -8.873 -6.456 116 HZ1 LYS 34 HZ1 LYS 34 -1.125 -10.532 -5.303 117 HZ2 LYS 34 HZ2 LYS 34 0.040 -11.262 -6.282 118 HZ3 LYS 34 HZ3 LYS 34 -1.573 -11.230 -6.776 119 H GLU 35 H GLU 35 -5.024 -5.507 -7.709 120 HA GLU 35 HA GLU 35 -7.363 -4.615 -9.203 121 HB2 GLU 35 HB2 GLU 35 -8.949 -5.068 -7.330 122 HB3 GLU 35 HB3 GLU 35 -8.281 -6.562 -7.983 123 HG2 GLU 35 HG2 GLU 35 -6.715 -6.730 -6.099 124 HG3 GLU 35 HG3 GLU 35 -7.277 -5.185 -5.466 125 H LYS 36 H LYS 36 -8.624 -3.182 -7.125 126 HA LYS 36 HA LYS 36 -6.534 -1.558 -5.803 127 HB2 LYS 36 HB2 LYS 36 -7.718 0.536 -6.429 128 HB3 LYS 36 HB3 LYS 36 -7.142 -0.339 -7.846 129 HG2 LYS 36 HG2 LYS 36 -9.411 -1.229 -8.239 130 HG3 LYS 36 HG3 LYS 36 -10.005 -0.367 -6.823 131 HD2 LYS 36 HD2 LYS 36 -8.850 0.929 -9.323 132 HD3 LYS 36 HD3 LYS 36 -10.568 0.787 -8.947 133 HE2 LYS 36 HE2 LYS 36 -10.159 2.149 -6.879 134 HE3 LYS 36 HE3 LYS 36 -8.497 2.388 -7.417 135 HZ1 LYS 36 HZ1 LYS 36 -10.959 3.273 -8.811 136 HZ2 LYS 36 HZ2 LYS 36 -9.402 3.413 -9.447 137 HZ3 LYS 36 HZ3 LYS 36 -9.821 4.260 -8.044 138 H GLU 37 H GLU 37 -7.208 -0.439 -3.952 139 HA GLU 37 HA GLU 37 -9.941 -0.726 -2.910 140 HB2 GLU 37 HB2 GLU 37 -8.729 -2.568 -1.819 141 HB3 GLU 37 HB3 GLU 37 -7.397 -1.506 -1.398 142 HG2 GLU 37 HG2 GLU 37 -8.671 -1.949 0.585 143 HG3 GLU 37 HG3 GLU 37 -8.901 -0.264 0.141 144 H GLU 38 H GLU 38 -10.566 1.119 -1.781 145 HA GLU 38 HA GLU 38 -8.648 3.368 -1.718 146 HB2 GLU 38 HB2 GLU 38 -10.681 3.647 -3.171 147 HB3 GLU 38 HB3 GLU 38 -11.687 3.481 -1.734 148 HG2 GLU 38 HG2 GLU 38 -10.565 5.497 -0.765 149 HG3 GLU 38 HG3 GLU 38 -9.676 5.692 -2.276 150 H PHE 39 H PHE 39 -8.257 4.350 0.162 151 HA PHE 39 HA PHE 39 -9.367 3.207 2.645 152 HB2 PHE 39 HB2 PHE 39 -6.601 4.367 2.103 153 HB3 PHE 39 HB3 PHE 39 -7.164 3.808 3.680 154 HD1 PHE 39 HD1 PHE 39 -6.262 2.717 0.241 155 HD2 PHE 39 HD2 PHE 39 -7.246 1.449 4.202 156 HE1 PHE 39 HE1 PHE 39 -5.583 0.422 -0.317 157 HE2 PHE 39 HE2 PHE 39 -6.576 -0.842 3.626 158 HZ PHE 39 HZ PHE 39 -5.740 -1.358 1.370 159 H ALA 40 H ALA 40 -9.319 4.691 4.505 160 HA ALA 40 HA ALA 40 -9.536 7.566 3.893 161 HB1 ALA 40 HB1 ALA 40 -11.567 7.695 5.311 162 HB2 ALA 40 HB2 ALA 40 -11.567 5.936 5.465 163 HB3 ALA 40 HB3 ALA 40 -11.822 6.683 3.888 164 H VAL 41 H VAL 41 -7.908 8.365 5.048 165 HA VAL 41 HA VAL 41 -7.287 7.378 7.770 166 HB VAL 41 HB VAL 41 -4.833 7.462 7.204 167 HG11 VAL 41 HG11 VAL 41 -6.420 5.493 5.510 168 HG12 VAL 41 HG12 VAL 41 -6.008 5.294 7.217 169 HG13 VAL 41 HG13 VAL 41 -4.734 5.314 6.001 170 HG21 VAL 41 HG21 VAL 41 -5.762 7.736 4.321 171 HG22 VAL 41 HG22 VAL 41 -4.103 7.419 4.834 172 HG23 VAL 41 HG23 VAL 41 -4.879 8.947 5.252 173 HA PRO 42 HA PRO 42 -7.587 11.685 8.520 174 HB2 PRO 42 HB2 PRO 42 -6.857 11.851 11.083 175 HB3 PRO 42 HB3 PRO 42 -8.168 10.764 10.600 176 HG2 PRO 42 HG2 PRO 42 -5.273 10.093 11.155 177 HG3 PRO 42 HG3 PRO 42 -6.738 9.273 11.743 178 HD2 PRO 42 HD2 PRO 42 -5.272 8.447 9.534 179 HD3 PRO 42 HD3 PRO 42 -6.992 8.077 9.773 180 H GLU 43 H GLU 43 -5.133 11.219 7.047 181 HA GLU 43 HA GLU 43 -3.050 11.958 6.533 182 HB2 GLU 43 HB2 GLU 43 -4.083 14.457 7.919 183 HB3 GLU 43 HB3 GLU 43 -2.628 14.419 6.928 184 HG2 GLU 43 HG2 GLU 43 -3.900 13.924 4.938 185 HG3 GLU 43 HG3 GLU 43 -5.370 13.665 5.877 186 H ASN 44 H ASN 44 -3.506 10.921 9.494 187 HA ASN 44 HA ASN 44 -1.025 11.925 10.740 188 HB2 ASN 44 HB2 ASN 44 -3.049 12.194 12.141 189 HB3 ASN 44 HB3 ASN 44 -3.423 10.483 11.978 190 HD21 ASN 44 HD21 ASN 44 -1.237 12.819 13.465 191 HD22 ASN 44 HD22 ASN 44 -0.601 11.741 14.656 192 H SER 45 H SER 45 -2.816 9.122 9.628 193 HA SER 45 HA SER 45 -1.327 6.966 10.389 194 HB2 SER 45 HB2 SER 45 -2.535 7.459 7.632 195 HB3 SER 45 HB3 SER 45 -2.167 5.880 8.341 196 HG SER 45 HG SER 45 -4.230 6.115 8.869 197 H SER 46 H SER 46 0.844 6.812 10.336 198 HA SER 46 HA SER 46 2.553 7.675 8.190 199 HB2 SER 46 HB2 SER 46 4.238 6.230 9.405 200 HB3 SER 46 HB3 SER 46 3.440 7.399 10.459 201 HG SER 46 HG SER 46 3.258 5.555 11.581 202 H VAL 47 H VAL 47 3.892 5.965 6.901 203 HA VAL 47 HA VAL 47 2.225 4.093 5.563 204 HB VAL 47 HB VAL 47 5.267 4.264 5.676 205 HG11 VAL 47 HG11 VAL 47 3.578 2.516 3.839 206 HG12 VAL 47 HG12 VAL 47 4.680 1.953 5.092 207 HG13 VAL 47 HG13 VAL 47 5.317 2.782 3.674 208 HG21 VAL 47 HG21 VAL 47 5.041 5.263 3.409 209 HG22 VAL 47 HG22 VAL 47 4.180 6.207 4.623 210 HG23 VAL 47 HG23 VAL 47 3.282 5.148 3.535 211 H GLN 48 H GLN 48 4.342 3.812 8.361 212 HA GLN 48 HA GLN 48 4.336 1.144 9.024 213 HB2 GLN 48 HB2 GLN 48 5.538 2.790 10.350 214 HB3 GLN 48 HB3 GLN 48 4.047 3.606 10.794 215 HG2 GLN 48 HG2 GLN 48 3.380 1.540 12.084 216 HG3 GLN 48 HG3 GLN 48 4.968 0.869 11.729 217 HE21 GLN 48 HE21 GLN 48 3.234 3.352 13.507 218 HE22 GLN 48 HE22 GLN 48 4.524 3.755 14.585 219 H GLN 49 H GLN 49 1.708 3.506 9.615 220 HA GLN 49 HA GLN 49 0.007 1.490 10.880 221 HB2 GLN 49 HB2 GLN 49 0.148 3.872 11.693 222 HB3 GLN 49 HB3 GLN 49 -0.613 4.392 10.193 223 HG2 GLN 49 HG2 GLN 49 -2.639 3.116 10.766 224 HG3 GLN 49 HG3 GLN 49 -1.876 2.551 12.249 225 HE21 GLN 49 HE21 GLN 49 -3.371 5.249 10.663 226 HE22 GLN 49 HE22 GLN 49 -3.519 6.252 12.058 227 H PHE 50 H PHE 50 0.401 3.027 7.805 228 HA PHE 50 HA PHE 50 -2.280 2.739 6.850 229 HB2 PHE 50 HB2 PHE 50 -0.804 4.598 6.149 230 HB3 PHE 50 HB3 PHE 50 0.273 3.455 5.357 231 HD1 PHE 50 HD1 PHE 50 -3.370 4.338 5.393 232 HD2 PHE 50 HD2 PHE 50 0.020 3.272 3.015 233 HE1 PHE 50 HE1 PHE 50 -4.722 4.567 3.360 234 HE2 PHE 50 HE2 PHE 50 -1.345 3.503 0.987 235 HZ PHE 50 HZ PHE 50 -3.716 4.147 1.158 236 H LYS 51 H LYS 51 0.776 1.009 6.274 237 HA LYS 51 HA LYS 51 -0.293 -0.677 4.226 238 HB2 LYS 51 HB2 LYS 51 1.842 -1.392 3.844 239 HB3 LYS 51 HB3 LYS 51 2.239 0.058 4.736 240 HG2 LYS 51 HG2 LYS 51 2.245 -2.775 5.811 241 HG3 LYS 51 HG3 LYS 51 3.661 -1.832 5.363 242 HD2 LYS 51 HD2 LYS 51 2.919 -0.184 7.217 243 HD3 LYS 51 HD3 LYS 51 1.805 -1.449 7.730 244 HE2 LYS 51 HE2 LYS 51 3.892 -2.985 7.823 245 HE3 LYS 51 HE3 LYS 51 4.825 -1.486 7.728 246 HZ1 LYS 51 HZ1 LYS 51 2.830 -2.149 9.817 247 HZ2 LYS 51 HZ2 LYS 51 3.731 -0.729 9.728 248 HZ3 LYS 51 HZ3 LYS 51 4.507 -2.199 9.997 249 H GLU 52 H GLU 52 -0.385 -0.779 7.656 250 HA GLU 52 HA GLU 52 -1.040 -3.550 8.028 251 HB2 GLU 52 HB2 GLU 52 -1.749 -1.129 9.742 252 HB3 GLU 52 HB3 GLU 52 -1.965 -2.808 10.234 253 HG2 GLU 52 HG2 GLU 52 0.505 -3.141 10.058 254 HG3 GLU 52 HG3 GLU 52 0.679 -1.428 9.662 255 H GLU 53 H GLU 53 -2.933 -0.596 7.474 256 HA GLU 53 HA GLU 53 -5.524 -1.745 7.511 257 HB2 GLU 53 HB2 GLU 53 -4.486 0.721 6.050 258 HB3 GLU 53 HB3 GLU 53 -6.192 0.307 6.199 259 HG2 GLU 53 HG2 GLU 53 -4.306 0.946 8.489 260 HG3 GLU 53 HG3 GLU 53 -5.527 2.027 7.815 261 H ILE 54 H ILE 54 -3.123 -1.318 4.966 262 HA ILE 54 HA ILE 54 -4.603 -2.234 2.755 263 HB ILE 54 HB ILE 54 -1.605 -2.324 3.311 264 HG12 ILE 54 HG12 ILE 54 -3.260 -0.355 1.648 265 HG13 ILE 54 HG13 ILE 54 -2.555 -0.028 3.227 266 HG21 ILE 54 HG21 ILE 54 -3.020 -2.793 0.661 267 HG22 ILE 54 HG22 ILE 54 -2.139 -3.998 1.601 268 HG23 ILE 54 HG23 ILE 54 -1.274 -2.645 0.886 269 HD11 ILE 54 HD11 ILE 54 -1.258 0.980 1.445 270 HD12 ILE 54 HD12 ILE 54 -1.010 -0.596 0.691 271 HD13 ILE 54 HD13 ILE 54 -0.313 -0.253 2.280 272 H SER 55 H SER 55 -2.596 -3.977 5.133 273 HA SER 55 HA SER 55 -2.295 -6.368 3.706 274 HB2 SER 55 HB2 SER 55 -1.433 -7.332 5.791 275 HB3 SER 55 HB3 SER 55 -0.811 -5.697 5.564 276 HG SER 55 HG SER 55 -1.639 -5.241 7.419 277 H LYS 56 H LYS 56 -4.733 -5.446 6.098 278 HA LYS 56 HA LYS 56 -5.994 -8.023 6.238 279 HB2 LYS 56 HB2 LYS 56 -7.724 -6.883 7.562 280 HB3 LYS 56 HB3 LYS 56 -6.117 -6.420 8.106 281 HG2 LYS 56 HG2 LYS 56 -6.323 -4.292 6.830 282 HG3 LYS 56 HG3 LYS 56 -7.963 -4.752 6.369 283 HD2 LYS 56 HD2 LYS 56 -8.622 -4.753 8.762 284 HD3 LYS 56 HD3 LYS 56 -6.981 -4.280 9.210 285 HE2 LYS 56 HE2 LYS 56 -7.272 -2.183 7.873 286 HE3 LYS 56 HE3 LYS 56 -8.941 -2.650 7.550 287 HZ1 LYS 56 HZ1 LYS 56 -9.443 -2.475 9.860 288 HZ2 LYS 56 HZ2 LYS 56 -8.664 -1.050 9.384 289 HZ3 LYS 56 HZ3 LYS 56 -7.820 -2.219 10.260 290 H ARG 57 H ARG 57 -6.452 -5.145 4.246 291 HA ARG 57 HA ARG 57 -9.058 -5.773 3.243 292 HB2 ARG 57 HB2 ARG 57 -6.886 -3.849 2.335 293 HB3 ARG 57 HB3 ARG 57 -8.380 -4.031 1.423 294 HG2 ARG 57 HG2 ARG 57 -8.200 -3.165 4.325 295 HG3 ARG 57 HG3 ARG 57 -8.441 -2.090 2.943 296 HD2 ARG 57 HD2 ARG 57 -10.552 -3.340 2.411 297 HD3 ARG 57 HD3 ARG 57 -10.323 -4.276 3.892 298 HE ARG 57 HE ARG 57 -10.384 -2.012 5.048 299 HH11 ARG 57 HH11 ARG 57 -12.120 -2.547 2.030 300 HH12 ARG 57 HH12 ARG 57 -13.424 -1.480 2.460 301 HH21 ARG 57 HH21 ARG 57 -12.071 -0.603 5.578 302 HH22 ARG 57 HH22 ARG 57 -13.380 -0.368 4.460 303 H PHE 58 H PHE 58 -5.810 -6.067 1.823 304 HA PHE 58 HA PHE 58 -6.810 -7.596 -0.449 305 HB2 PHE 58 HB2 PHE 58 -4.014 -6.688 0.329 306 HB3 PHE 58 HB3 PHE 58 -4.369 -7.620 -1.122 307 HD1 PHE 58 HD1 PHE 58 -5.745 -6.597 -2.968 308 HD2 PHE 58 HD2 PHE 58 -4.457 -4.289 0.400 309 HE1 PHE 58 HE1 PHE 58 -6.187 -4.519 -4.210 310 HE2 PHE 58 HE2 PHE 58 -4.893 -2.221 -0.859 311 HZ PHE 58 HZ PHE 58 -5.762 -2.333 -3.164 312 H LYS 59 H LYS 59 -6.167 -8.414 2.720 313 HA LYS 59 HA LYS 59 -5.899 -10.382 3.840 314 HB2 LYS 59 HB2 LYS 59 -6.622 -11.582 1.129 315 HB3 LYS 59 HB3 LYS 59 -6.588 -12.494 2.634 316 HG2 LYS 59 HG2 LYS 59 -8.409 -10.131 2.068 317 HG3 LYS 59 HG3 LYS 59 -8.882 -11.830 1.946 318 HD2 LYS 59 HD2 LYS 59 -8.349 -12.098 4.389 319 HD3 LYS 59 HD3 LYS 59 -8.010 -10.366 4.471 320 HE2 LYS 59 HE2 LYS 59 -10.281 -10.901 5.276 321 HE3 LYS 59 HE3 LYS 59 -10.324 -9.861 3.852 322 HZ1 LYS 59 HZ1 LYS 59 -10.793 -11.811 2.498 323 HZ2 LYS 59 HZ2 LYS 59 -11.956 -11.629 3.711 324 HZ3 LYS 59 HZ3 LYS 59 -10.748 -12.801 3.864 325 H SER 60 H SER 60 -3.623 -9.137 2.642 326 HA SER 60 HA SER 60 -1.710 -11.369 2.384 327 HB2 SER 60 HB2 SER 60 -1.727 -8.833 0.682 328 HB3 SER 60 HB3 SER 60 -0.592 -10.181 0.552 329 HG SER 60 HG SER 60 -3.374 -10.556 0.245 330 H HIS 61 H HIS 61 -0.182 -11.104 3.924 331 HA HIS 61 HA HIS 61 -0.408 -9.006 5.813 332 HB2 HIS 61 HB2 HIS 61 1.667 -11.218 5.594 333 HB3 HIS 61 HB3 HIS 61 1.473 -10.163 6.994 334 HD1 HIS 61 HD1 HIS 61 0.179 -13.249 5.504 335 HD2 HIS 61 HD2 HIS 61 -1.122 -10.487 8.326 336 HE1 HIS 61 HE1 HIS 61 -1.697 -14.372 6.728 337 HE2 HIS 61 HE2 HIS 61 -2.564 -12.632 8.327 338 H THR 62 H THR 62 1.619 -7.868 6.748 339 HA THR 62 HA THR 62 2.095 -5.788 4.917 340 HB THR 62 HB THR 62 3.571 -4.810 6.728 341 HG1 THR 62 HG1 THR 62 4.453 -6.319 7.942 342 HG21 THR 62 HG21 THR 62 0.892 -5.889 7.701 343 HG22 THR 62 HG22 THR 62 1.132 -4.407 6.769 344 HG23 THR 62 HG23 THR 62 1.787 -4.534 8.401 345 H ASP 63 H ASP 63 4.280 -8.378 6.021 346 HA ASP 63 HA ASP 63 6.667 -7.464 4.781 347 HB2 ASP 63 HB2 ASP 63 5.757 -10.244 5.637 348 HB3 ASP 63 HB3 ASP 63 7.326 -9.989 4.881 349 H GLN 64 H GLN 64 3.862 -8.991 3.467 350 HA GLN 64 HA GLN 64 5.115 -10.089 1.099 351 HB2 GLN 64 HB2 GLN 64 2.159 -9.753 1.739 352 HB3 GLN 64 HB3 GLN 64 2.833 -10.749 0.450 353 HG2 GLN 64 HG2 GLN 64 3.188 -11.180 3.425 354 HG3 GLN 64 HG3 GLN 64 2.134 -12.100 2.355 355 HE21 GLN 64 HE21 GLN 64 3.072 -13.581 0.898 356 HE22 GLN 64 HE22 GLN 64 4.693 -14.141 1.087 357 H LEU 65 H LEU 65 3.891 -7.010 1.977 358 HA LEU 65 HA LEU 65 3.579 -6.210 -0.866 359 HB2 LEU 65 HB2 LEU 65 1.791 -4.671 -0.151 360 HB3 LEU 65 HB3 LEU 65 1.407 -6.343 0.171 361 HG LEU 65 HG LEU 65 2.291 -5.723 2.634 362 HD11 LEU 65 HD11 LEU 65 1.314 -3.025 1.656 363 HD12 LEU 65 HD12 LEU 65 2.965 -3.419 2.140 364 HD13 LEU 65 HD13 LEU 65 1.668 -3.460 3.332 365 HD21 LEU 65 HD21 LEU 65 -0.469 -4.982 1.625 366 HD22 LEU 65 HD22 LEU 65 -0.025 -5.275 3.310 367 HD23 LEU 65 HD23 LEU 65 0.064 -6.586 2.136 368 H VAL 66 H VAL 66 4.352 -4.247 -1.488 369 HA VAL 66 HA VAL 66 5.812 -2.537 0.407 370 HB VAL 66 HB VAL 66 7.709 -2.303 -1.271 371 HG11 VAL 66 HG11 VAL 66 8.895 -4.387 -0.626 372 HG12 VAL 66 HG12 VAL 66 7.367 -5.089 -0.087 373 HG13 VAL 66 HG13 VAL 66 8.031 -3.679 0.741 374 HG21 VAL 66 HG21 VAL 66 8.070 -4.086 -2.963 375 HG22 VAL 66 HG22 VAL 66 6.595 -3.180 -3.296 376 HG23 VAL 66 HG23 VAL 66 6.495 -4.784 -2.569 377 H LEU 67 H LEU 67 5.180 -0.482 0.145 378 HA LEU 67 HA LEU 67 3.580 0.372 -2.129 379 HB2 LEU 67 HB2 LEU 67 4.526 1.747 0.413 380 HB3 LEU 67 HB3 LEU 67 3.695 2.634 -0.853 381 HG LEU 67 HG LEU 67 2.463 0.275 0.632 382 HD11 LEU 67 HD11 LEU 67 2.863 2.146 2.185 383 HD12 LEU 67 HD12 LEU 67 1.143 1.923 1.878 384 HD13 LEU 67 HD13 LEU 67 2.012 3.243 1.091 385 HD21 LEU 67 HD21 LEU 67 1.200 2.348 -1.202 386 HD22 LEU 67 HD22 LEU 67 0.348 1.058 -0.358 387 HD23 LEU 67 HD23 LEU 67 1.508 0.660 -1.620 388 H ILE 68 H ILE 68 4.351 1.576 -3.808 389 HA ILE 68 HA ILE 68 7.042 2.780 -3.655 390 HB ILE 68 HB ILE 68 5.689 1.744 -6.200 391 HG12 ILE 68 HG12 ILE 68 7.868 0.272 -6.236 392 HG13 ILE 68 HG13 ILE 68 7.956 0.612 -4.521 393 HG21 ILE 68 HG21 ILE 68 7.001 3.761 -6.672 394 HG22 ILE 68 HG22 ILE 68 7.815 2.354 -7.355 395 HG23 ILE 68 HG23 ILE 68 8.410 3.075 -5.856 396 HD11 ILE 68 HD11 ILE 68 5.695 -0.782 -5.942 397 HD12 ILE 68 HD12 ILE 68 5.768 -0.455 -4.208 398 HD13 ILE 68 HD13 ILE 68 6.940 -1.542 -4.956 399 H PHE 69 H PHE 69 7.142 4.874 -4.004 400 HA PHE 69 HA PHE 69 5.439 6.279 -5.833 401 HB2 PHE 69 HB2 PHE 69 4.089 6.328 -3.659 402 HB3 PHE 69 HB3 PHE 69 5.394 7.263 -2.936 403 HD1 PHE 69 HD1 PHE 69 2.676 7.308 -5.464 404 HD2 PHE 69 HD2 PHE 69 5.693 9.643 -3.518 405 HE1 PHE 69 HE1 PHE 69 1.673 9.370 -6.359 406 HE2 PHE 69 HE2 PHE 69 4.679 11.689 -4.421 407 HZ PHE 69 HZ PHE 69 2.677 11.560 -5.836 408 H ALA 70 H ALA 70 6.411 8.140 -6.562 409 HA ALA 70 HA ALA 70 8.007 9.659 -7.064 410 HB1 ALA 70 HB1 ALA 70 7.715 10.441 -4.738 411 HB2 ALA 70 HB2 ALA 70 9.381 10.637 -5.276 412 HB3 ALA 70 HB3 ALA 70 8.955 9.308 -4.194 413 H GLY 71 H GLY 71 8.486 6.659 -7.226 414 HA2 GLY 71 HA2 GLY 71 10.095 5.430 -8.351 415 HA3 GLY 71 HA3 GLY 71 11.224 6.770 -8.201 416 H LYS 72 H LYS 72 9.915 6.074 -5.164 417 HA LYS 72 HA LYS 72 12.051 4.138 -4.471 418 HB2 LYS 72 HB2 LYS 72 12.438 5.308 -2.340 419 HB3 LYS 72 HB3 LYS 72 12.782 6.351 -3.707 420 HG2 LYS 72 HG2 LYS 72 11.703 7.822 -2.268 421 HG3 LYS 72 HG3 LYS 72 10.360 7.290 -3.274 422 HD2 LYS 72 HD2 LYS 72 9.657 7.315 -0.935 423 HD3 LYS 72 HD3 LYS 72 9.700 5.654 -1.508 424 HE2 LYS 72 HE2 LYS 72 10.616 5.701 0.712 425 HE3 LYS 72 HE3 LYS 72 11.937 5.394 -0.414 426 HZ1 LYS 72 HZ1 LYS 72 12.679 6.964 1.141 427 HZ2 LYS 72 HZ2 LYS 72 11.297 7.917 0.985 428 HZ3 LYS 72 HZ3 LYS 72 12.414 7.823 -0.284 429 H ILE 73 H ILE 73 11.568 2.837 -2.595 430 HA ILE 73 HA ILE 73 8.731 2.158 -2.403 431 HB ILE 73 HB ILE 73 9.323 0.107 -1.251 432 HG12 ILE 73 HG12 ILE 73 11.301 0.893 0.110 433 HG13 ILE 73 HG13 ILE 73 11.573 -0.640 -0.698 434 HG21 ILE 73 HG21 ILE 73 11.085 0.557 -3.680 435 HG22 ILE 73 HG22 ILE 73 9.399 0.045 -3.671 436 HG23 ILE 73 HG23 ILE 73 10.643 -1.024 -3.029 437 HD11 ILE 73 HD11 ILE 73 13.556 0.687 -0.777 438 HD12 ILE 73 HD12 ILE 73 12.686 2.042 -1.487 439 HD13 ILE 73 HD13 ILE 73 12.909 0.555 -2.412 440 H LEU 74 H LEU 74 7.463 2.887 -0.851 441 HA LEU 74 HA LEU 74 8.322 4.646 1.211 442 HB2 LEU 74 HB2 LEU 74 5.576 3.348 1.011 443 HB3 LEU 74 HB3 LEU 74 5.989 4.857 1.808 444 HG LEU 74 HG LEU 74 5.904 4.350 -1.190 445 HD11 LEU 74 HD11 LEU 74 4.057 5.997 -1.184 446 HD12 LEU 74 HD12 LEU 74 4.153 6.097 0.575 447 HD13 LEU 74 HD13 LEU 74 3.681 4.584 -0.201 448 HD21 LEU 74 HD21 LEU 74 6.411 6.758 -1.477 449 HD22 LEU 74 HD22 LEU 74 7.744 5.883 -0.732 450 HD23 LEU 74 HD23 LEU 74 6.698 6.900 0.260 451 H LYS 75 H LYS 75 9.516 3.770 2.804 452 HA LYS 75 HA LYS 75 8.867 1.295 4.175 453 HB2 LYS 75 HB2 LYS 75 10.876 3.470 4.919 454 HB3 LYS 75 HB3 LYS 75 10.805 1.853 5.607 455 HG2 LYS 75 HG2 LYS 75 11.476 2.508 2.721 456 HG3 LYS 75 HG3 LYS 75 12.645 2.125 3.989 457 HD2 LYS 75 HD2 LYS 75 11.403 -0.118 4.238 458 HD3 LYS 75 HD3 LYS 75 10.577 0.293 2.732 459 HE2 LYS 75 HE2 LYS 75 12.472 -1.145 2.247 460 HE3 LYS 75 HE3 LYS 75 12.796 0.465 1.605 461 HZ1 LYS 75 HZ1 LYS 75 14.724 -0.432 2.712 462 HZ2 LYS 75 HZ2 LYS 75 13.857 -0.649 4.140 463 HZ3 LYS 75 HZ3 LYS 75 14.156 0.908 3.567 464 H ASP 76 H ASP 76 8.891 1.496 6.686 465 HA ASP 76 HA ASP 76 6.641 2.867 7.673 466 HB2 ASP 76 HB2 ASP 76 7.431 2.160 9.924 467 HB3 ASP 76 HB3 ASP 76 7.513 0.842 8.760 468 H GLN 77 H GLN 77 9.996 3.854 7.430 469 HA GLN 77 HA GLN 77 9.913 6.086 9.223 470 HB2 GLN 77 HB2 GLN 77 12.105 6.680 8.237 471 HB3 GLN 77 HB3 GLN 77 12.032 4.984 8.694 472 HG2 GLN 77 HG2 GLN 77 11.763 4.311 6.374 473 HG3 GLN 77 HG3 GLN 77 11.667 5.992 5.853 474 HE21 GLN 77 HE21 GLN 77 13.603 7.235 5.793 475 HE22 GLN 77 HE22 GLN 77 15.161 6.498 5.853 476 H ASP 78 H ASP 78 8.805 5.598 6.012 477 HA ASP 78 HA ASP 78 8.614 8.461 5.331 478 HB2 ASP 78 HB2 ASP 78 7.696 5.984 3.776 479 HB3 ASP 78 HB3 ASP 78 7.648 7.642 3.174 480 H THR 79 H THR 79 6.590 9.464 5.048 481 HA THR 79 HA THR 79 4.152 7.956 5.816 482 HB THR 79 HB THR 79 3.192 10.190 6.514 483 HG1 THR 79 HG1 THR 79 5.786 11.235 6.692 484 HG21 THR 79 HG21 THR 79 4.343 10.378 8.673 485 HG22 THR 79 HG22 THR 79 5.709 9.449 8.052 486 HG23 THR 79 HG23 THR 79 4.137 8.678 8.253 487 H LEU 80 H LEU 80 2.527 8.097 4.373 488 HA LEU 80 HA LEU 80 3.037 8.639 1.682 489 HB2 LEU 80 HB2 LEU 80 0.688 8.146 1.241 490 HB3 LEU 80 HB3 LEU 80 1.372 6.979 2.352 491 HG LEU 80 HG LEU 80 -0.451 9.268 3.198 492 HD11 LEU 80 HD11 LEU 80 -1.185 6.371 2.680 493 HD12 LEU 80 HD12 LEU 80 -1.667 7.767 1.713 494 HD13 LEU 80 HD13 LEU 80 -2.246 7.606 3.367 495 HD21 LEU 80 HD21 LEU 80 0.906 8.454 5.061 496 HD22 LEU 80 HD22 LEU 80 0.418 6.791 4.727 497 HD23 LEU 80 HD23 LEU 80 -0.775 7.974 5.277 498 H SER 81 H SER 81 1.322 10.601 4.089 499 HA SER 81 HA SER 81 0.328 12.594 2.351 500 HB2 SER 81 HB2 SER 81 -0.585 12.157 4.612 501 HB3 SER 81 HB3 SER 81 0.901 12.761 5.339 502 HG SER 81 HG SER 81 -0.273 14.538 5.342 503 H GLN 82 H GLN 82 3.410 12.360 4.173 504 HA GLN 82 HA GLN 82 4.440 14.918 3.434 505 HB2 GLN 82 HB2 GLN 82 5.430 13.822 5.313 506 HB3 GLN 82 HB3 GLN 82 5.766 12.362 4.394 507 HG2 GLN 82 HG2 GLN 82 7.618 13.325 3.295 508 HG3 GLN 82 HG3 GLN 82 7.133 14.972 3.699 509 HE21 GLN 82 HE21 GLN 82 7.559 15.748 5.815 510 HE22 GLN 82 HE22 GLN 82 8.712 14.977 6.848 511 H HIS 83 H HIS 83 4.340 11.821 1.786 512 HA HIS 83 HA HIS 83 6.127 12.594 -0.363 513 HB2 HIS 83 HB2 HIS 83 4.356 10.190 0.131 514 HB3 HIS 83 HB3 HIS 83 5.039 10.456 -1.474 515 HD1 HIS 83 HD1 HIS 83 7.576 10.226 -1.742 516 HD2 HIS 83 HD2 HIS 83 6.255 9.441 2.105 517 HE1 HIS 83 HE1 HIS 83 9.522 9.214 -0.560 518 HE2 HIS 83 HE2 HIS 83 8.775 9.026 1.824 519 H GLY 84 H GLY 84 3.188 13.786 0.366 520 HA2 GLY 84 HA2 GLY 84 1.811 15.204 -0.827 521 HA3 GLY 84 HA3 GLY 84 2.764 14.874 -2.268 522 H ILE 85 H ILE 85 1.351 12.348 -0.342 523 HA ILE 85 HA ILE 85 -0.602 11.689 -2.463 524 HB ILE 85 HB ILE 85 0.295 9.976 -0.092 525 HG12 ILE 85 HG12 ILE 85 1.158 9.634 -3.009 526 HG13 ILE 85 HG13 ILE 85 2.144 10.437 -1.792 527 HG21 ILE 85 HG21 ILE 85 -1.977 9.459 -0.937 528 HG22 ILE 85 HG22 ILE 85 -0.858 8.136 -1.232 529 HG23 ILE 85 HG23 ILE 85 -1.319 9.205 -2.556 530 HD11 ILE 85 HD11 ILE 85 2.849 8.151 -2.151 531 HD12 ILE 85 HD12 ILE 85 1.252 7.560 -1.699 532 HD13 ILE 85 HD13 ILE 85 2.263 8.380 -0.505 533 H HIS 86 H HIS 86 -2.430 12.743 -2.049 534 HA HIS 86 HA HIS 86 -3.612 12.656 0.657 535 HB2 HIS 86 HB2 HIS 86 -3.602 15.001 -1.297 536 HB3 HIS 86 HB3 HIS 86 -4.609 14.931 0.151 537 HD1 HIS 86 HD1 HIS 86 -1.566 16.381 -0.879 538 HD2 HIS 86 HD2 HIS 86 -2.688 14.294 2.532 539 HE1 HIS 86 HE1 HIS 86 0.183 16.902 0.837 540 HE2 HIS 86 HE2 HIS 86 -0.469 15.562 2.861 541 H ASP 87 H ASP 87 -6.093 13.729 0.019 542 HA ASP 87 HA ASP 87 -7.489 11.489 -0.918 543 HB2 ASP 87 HB2 ASP 87 -9.518 12.907 -0.807 544 HB3 ASP 87 HB3 ASP 87 -8.515 13.093 0.625 545 H GLY 88 H GLY 88 -8.077 10.823 -2.911 546 HA2 GLY 88 HA2 GLY 88 -8.743 10.999 -5.159 547 HA3 GLY 88 HA3 GLY 88 -8.157 12.654 -5.215 548 H LEU 89 H LEU 89 -5.628 11.250 -3.827 549 HA LEU 89 HA LEU 89 -4.166 10.765 -6.308 550 HB2 LEU 89 HB2 LEU 89 -3.321 10.946 -3.391 551 HB3 LEU 89 HB3 LEU 89 -2.215 10.352 -4.612 552 HG LEU 89 HG LEU 89 -1.750 12.697 -4.094 553 HD11 LEU 89 HD11 LEU 89 -1.255 11.946 -6.353 554 HD12 LEU 89 HD12 LEU 89 -1.762 13.630 -6.370 555 HD13 LEU 89 HD13 LEU 89 -2.881 12.369 -6.892 556 HD21 LEU 89 HD21 LEU 89 -3.974 13.427 -3.379 557 HD22 LEU 89 HD22 LEU 89 -4.564 13.332 -5.038 558 HD23 LEU 89 HD23 LEU 89 -3.324 14.511 -4.608 559 H THR 90 H THR 90 -2.875 8.828 -6.589 560 HA THR 90 HA THR 90 -3.910 6.399 -5.258 561 HB THR 90 HB THR 90 -3.233 6.649 -8.228 562 HG1 THR 90 HG1 THR 90 -5.328 7.531 -7.196 563 HG21 THR 90 HG21 THR 90 -4.166 4.365 -8.414 564 HG22 THR 90 HG22 THR 90 -4.398 4.305 -6.667 565 HG23 THR 90 HG23 THR 90 -2.766 4.377 -7.338 566 H VAL 91 H VAL 91 -2.369 5.211 -4.336 567 HA VAL 91 HA VAL 91 0.477 5.691 -4.878 568 HB VAL 91 HB VAL 91 -0.530 3.686 -2.802 569 HG11 VAL 91 HG11 VAL 91 1.884 3.723 -3.274 570 HG12 VAL 91 HG12 VAL 91 1.567 4.273 -1.629 571 HG13 VAL 91 HG13 VAL 91 1.958 5.447 -2.888 572 HG21 VAL 91 HG21 VAL 91 -1.807 5.715 -2.336 573 HG22 VAL 91 HG22 VAL 91 -0.324 6.672 -2.308 574 HG23 VAL 91 HG23 VAL 91 -0.601 5.432 -1.080 575 H HIS 92 H HIS 92 1.840 4.062 -5.563 576 HA HIS 92 HA HIS 92 0.659 1.762 -6.936 577 HB2 HIS 92 HB2 HIS 92 3.559 2.728 -6.781 578 HB3 HIS 92 HB3 HIS 92 2.962 1.433 -7.819 579 HD1 HIS 92 HD1 HIS 92 2.007 2.126 -10.061 580 HD2 HIS 92 HD2 HIS 92 2.525 5.365 -7.512 581 HE1 HIS 92 HE1 HIS 92 1.492 4.155 -11.441 582 HE2 HIS 92 HE2 HIS 92 1.973 6.107 -9.918 583 H LEU 93 H LEU 93 0.768 -0.268 -6.145 584 HA LEU 93 HA LEU 93 2.498 -0.893 -3.830 585 HB2 LEU 93 HB2 LEU 93 0.214 -0.446 -2.968 586 HB3 LEU 93 HB3 LEU 93 -0.450 -1.611 -4.099 587 HG LEU 93 HG LEU 93 0.872 -3.426 -2.920 588 HD11 LEU 93 HD11 LEU 93 1.783 -3.022 -0.712 589 HD12 LEU 93 HD12 LEU 93 1.395 -1.309 -0.825 590 HD13 LEU 93 HD13 LEU 93 2.598 -2.017 -1.900 591 HD21 LEU 93 HD21 LEU 93 -1.499 -3.093 -2.430 592 HD22 LEU 93 HD22 LEU 93 -1.095 -1.933 -1.169 593 HD23 LEU 93 HD23 LEU 93 -0.621 -3.626 -1.003 594 H VAL 94 H VAL 94 3.449 -2.829 -3.982 595 HA VAL 94 HA VAL 94 2.564 -4.745 -6.073 596 HB VAL 94 HB VAL 94 5.460 -4.248 -5.195 597 HG11 VAL 94 HG11 VAL 94 4.348 -6.118 -7.327 598 HG12 VAL 94 HG12 VAL 94 5.051 -6.604 -5.785 599 HG13 VAL 94 HG13 VAL 94 6.062 -5.833 -7.003 600 HG21 VAL 94 HG21 VAL 94 4.652 -2.403 -6.623 601 HG22 VAL 94 HG22 VAL 94 4.124 -3.557 -7.846 602 HG23 VAL 94 HG23 VAL 94 5.841 -3.381 -7.483 603 H ILE 95 H ILE 95 1.631 -6.351 -5.005 604 HA ILE 95 HA ILE 95 2.759 -7.342 -2.451 605 HB ILE 95 HB ILE 95 0.084 -8.168 -3.677 606 HG12 ILE 95 HG12 ILE 95 0.558 -5.925 -1.656 607 HG13 ILE 95 HG13 ILE 95 -0.032 -5.721 -3.299 608 HG21 ILE 95 HG21 ILE 95 1.153 -8.355 -0.826 609 HG22 ILE 95 HG22 ILE 95 1.049 -9.690 -1.978 610 HG23 ILE 95 HG23 ILE 95 -0.424 -8.928 -1.384 611 HD11 ILE 95 HD11 ILE 95 -1.842 -5.532 -1.744 612 HD12 ILE 95 HD12 ILE 95 -1.459 -7.099 -1.030 613 HD13 ILE 95 HD13 ILE 95 -2.049 -7.004 -2.693 614 H LYS 96 H LYS 96 3.496 -9.464 -2.346 615 HA LYS 96 HA LYS 96 3.554 -10.995 -4.883 616 HB2 LYS 96 HB2 LYS 96 5.782 -10.117 -4.115 617 HB3 LYS 96 HB3 LYS 96 5.609 -11.045 -2.627 618 HG2 LYS 96 HG2 LYS 96 5.693 -13.144 -3.861 619 HG3 LYS 96 HG3 LYS 96 5.660 -12.283 -5.404 620 HD2 LYS 96 HD2 LYS 96 7.946 -13.062 -4.867 621 HD3 LYS 96 HD3 LYS 96 7.867 -11.302 -4.935 622 HE2 LYS 96 HE2 LYS 96 7.803 -11.201 -2.467 623 HE3 LYS 96 HE3 LYS 96 7.847 -12.964 -2.391 624 HZ1 LYS 96 HZ1 LYS 96 9.967 -11.291 -3.612 625 HZ2 LYS 96 HZ2 LYS 96 10.023 -12.957 -3.345 626 HZ3 LYS 96 HZ3 LYS 96 10.019 -11.894 -2.033 627 H THR 97 H THR 97 1.358 -11.486 -3.941 628 HA THR 97 HA THR 97 1.515 -14.161 -2.692 629 HB THR 97 HB THR 97 -0.664 -13.724 -1.504 630 HG1 THR 97 HG1 THR 97 -1.462 -11.694 -1.385 631 HG21 THR 97 HG21 THR 97 0.227 -12.407 0.372 632 HG22 THR 97 HG22 THR 97 1.575 -11.871 -0.629 633 HG23 THR 97 HG23 THR 97 1.421 -13.576 -0.199 634 H GLN 98 H GLN 98 -0.702 -15.260 -2.989 635 HA GLN 98 HA GLN 98 -2.423 -14.464 -5.141 636 HB2 GLN 98 HB2 GLN 98 -1.973 -16.414 -6.613 637 HB3 GLN 98 HB3 GLN 98 -0.569 -15.362 -6.482 638 HG2 GLN 98 HG2 GLN 98 0.414 -16.932 -4.819 639 HG3 GLN 98 HG3 GLN 98 -0.958 -18.014 -5.058 640 HE21 GLN 98 HE21 GLN 98 1.834 -18.574 -5.511 641 HE22 GLN 98 HE22 GLN 98 2.007 -18.977 -7.181 642 H ASN 99 H ASN 99 -4.276 -15.814 -5.319 643 HA ASN 99 HA ASN 99 -6.044 -16.960 -4.561 644 HB2 ASN 99 HB2 ASN 99 -3.949 -18.782 -3.323 645 HB3 ASN 99 HB3 ASN 99 -5.671 -19.151 -3.333 646 HD21 ASN 99 HD21 ASN 99 -2.784 -18.883 -5.294 647 HD22 ASN 99 HD22 ASN 99 -3.434 -19.656 -6.696 648 H ARG 100 H ARG 100 -4.573 -14.928 -2.800 649 HA ARG 100 HA ARG 100 -5.192 -14.984 -0.144 650 HB2 ARG 100 HB2 ARG 100 -5.765 -12.393 -0.602 651 HB3 ARG 100 HB3 ARG 100 -4.125 -13.007 -0.770 652 HG2 ARG 100 HG2 ARG 100 -4.286 -13.080 -3.158 653 HG3 ARG 100 HG3 ARG 100 -6.026 -12.833 -3.125 654 HD2 ARG 100 HD2 ARG 100 -4.075 -10.740 -2.154 655 HD3 ARG 100 HD3 ARG 100 -4.598 -10.850 -3.838 656 HE ARG 100 HE ARG 100 -6.503 -10.492 -1.598 657 HH11 ARG 100 HH11 ARG 100 -5.360 -9.539 -4.779 658 HH12 ARG 100 HH12 ARG 100 -6.605 -8.354 -4.997 659 HH21 ARG 100 HH21 ARG 100 -8.087 -8.920 -1.880 660 HH22 ARG 100 HH22 ARG 100 -8.140 -7.986 -3.336 661 HA PRO 101 HA PRO 101 -9.739 -15.577 -0.549 662 HB2 PRO 101 HB2 PRO 101 -10.176 -16.796 1.837 663 HB3 PRO 101 HB3 PRO 101 -9.410 -17.624 0.477 664 HG2 PRO 101 HG2 PRO 101 -8.164 -16.505 2.958 665 HG3 PRO 101 HG3 PRO 101 -7.721 -17.948 2.022 666 HD2 PRO 101 HD2 PRO 101 -6.469 -15.411 1.874 667 HD3 PRO 101 HD3 PRO 101 -6.266 -16.741 0.718 Start of MODEL 20 1 HA PRO 23 HA PRO 23 -11.345 20.790 6.912 2 HB2 PRO 23 HB2 PRO 23 -9.479 18.861 8.050 3 HB3 PRO 23 HB3 PRO 23 -9.203 20.572 7.692 4 HG2 PRO 23 HG2 PRO 23 -9.368 19.547 10.262 5 HG3 PRO 23 HG3 PRO 23 -9.696 21.241 9.840 6 HD2 PRO 23 HD2 PRO 23 -11.665 18.979 10.263 7 HD3 PRO 23 HD3 PRO 23 -11.744 20.657 10.839 8 H LYS 24 H LYS 24 -10.277 18.686 5.757 9 HA LYS 24 HA LYS 24 -12.327 16.540 5.696 10 HB2 LYS 24 HB2 LYS 24 -12.003 17.834 3.541 11 HB3 LYS 24 HB3 LYS 24 -10.323 17.313 3.514 12 HG2 LYS 24 HG2 LYS 24 -11.205 14.907 3.490 13 HG3 LYS 24 HG3 LYS 24 -12.801 15.590 3.210 14 HD2 LYS 24 HD2 LYS 24 -10.387 15.944 1.397 15 HD3 LYS 24 HD3 LYS 24 -11.717 14.817 1.122 16 HE2 LYS 24 HE2 LYS 24 -13.278 16.757 0.981 17 HE3 LYS 24 HE3 LYS 24 -11.905 17.852 1.165 18 HZ1 LYS 24 HZ1 LYS 24 -12.460 17.624 -1.144 19 HZ2 LYS 24 HZ2 LYS 24 -12.361 15.939 -1.061 20 HZ3 LYS 24 HZ3 LYS 24 -10.967 16.874 -0.878 21 H ILE 25 H ILE 25 -11.616 14.380 5.646 22 HA ILE 25 HA ILE 25 -8.983 13.812 6.747 23 HB ILE 25 HB ILE 25 -11.180 12.646 7.417 24 HG12 ILE 25 HG12 ILE 25 -8.837 10.844 6.660 25 HG13 ILE 25 HG13 ILE 25 -8.868 11.898 8.068 26 HG21 ILE 25 HG21 ILE 25 -12.010 12.152 5.125 27 HG22 ILE 25 HG22 ILE 25 -11.910 10.705 6.125 28 HG23 ILE 25 HG23 ILE 25 -10.677 11.009 4.898 29 HD11 ILE 25 HD11 ILE 25 -10.788 10.644 8.929 30 HD12 ILE 25 HD12 ILE 25 -9.335 9.666 8.719 31 HD13 ILE 25 HD13 ILE 25 -10.656 9.543 7.555 32 H MET 26 H MET 26 -7.452 12.360 5.619 33 HA MET 26 HA MET 26 -7.115 13.296 2.894 34 HB2 MET 26 HB2 MET 26 -5.279 13.162 4.715 35 HB3 MET 26 HB3 MET 26 -5.236 11.434 4.413 36 HG2 MET 26 HG2 MET 26 -3.618 11.932 2.917 37 HG3 MET 26 HG3 MET 26 -4.914 12.496 1.865 38 HE1 MET 26 HE1 MET 26 -5.757 15.220 3.677 39 HE2 MET 26 HE2 MET 26 -5.739 15.153 1.911 40 HE3 MET 26 HE3 MET 26 -4.833 16.407 2.758 41 H LYS 27 H LYS 27 -8.208 12.250 1.386 42 HA LYS 27 HA LYS 27 -8.823 9.417 1.475 43 HB2 LYS 27 HB2 LYS 27 -9.455 11.401 -0.748 44 HB3 LYS 27 HB3 LYS 27 -10.226 9.849 -0.450 45 HG2 LYS 27 HG2 LYS 27 -10.445 12.345 1.254 46 HG3 LYS 27 HG3 LYS 27 -11.702 11.654 0.228 47 HD2 LYS 27 HD2 LYS 27 -10.538 10.411 2.751 48 HD3 LYS 27 HD3 LYS 27 -12.123 11.167 2.590 49 HE2 LYS 27 HE2 LYS 27 -11.213 8.614 1.199 50 HE3 LYS 27 HE3 LYS 27 -12.315 8.710 2.571 51 HZ1 LYS 27 HZ1 LYS 27 -13.544 8.415 0.556 52 HZ2 LYS 27 HZ2 LYS 27 -12.805 9.748 -0.169 53 HZ3 LYS 27 HZ3 LYS 27 -13.852 9.972 1.140 54 H VAL 28 H VAL 28 -6.883 8.365 1.202 55 HA VAL 28 HA VAL 28 -5.154 8.945 -1.101 56 HB VAL 28 HB VAL 28 -4.700 6.865 1.090 57 HG11 VAL 28 HG11 VAL 28 -2.312 7.114 0.493 58 HG12 VAL 28 HG12 VAL 28 -2.743 8.262 -0.773 59 HG13 VAL 28 HG13 VAL 28 -3.277 6.586 -0.886 60 HG21 VAL 28 HG21 VAL 28 -3.836 9.782 1.148 61 HG22 VAL 28 HG22 VAL 28 -3.374 8.540 2.315 62 HG23 VAL 28 HG23 VAL 28 -5.063 9.032 2.180 63 H THR 29 H THR 29 -5.860 7.985 -2.941 64 HA THR 29 HA THR 29 -7.211 5.400 -2.934 65 HB THR 29 HB THR 29 -6.340 7.081 -5.339 66 HG1 THR 29 HG1 THR 29 -8.119 7.710 -3.509 67 HG21 THR 29 HG21 THR 29 -8.146 5.864 -6.526 68 HG22 THR 29 HG22 THR 29 -8.484 4.927 -5.069 69 HG23 THR 29 HG23 THR 29 -6.939 4.735 -5.904 70 H VAL 30 H VAL 30 -6.216 3.491 -3.392 71 HA VAL 30 HA VAL 30 -3.334 3.499 -4.099 72 HB VAL 30 HB VAL 30 -4.747 1.431 -2.335 73 HG11 VAL 30 HG11 VAL 30 -2.461 0.703 -1.747 74 HG12 VAL 30 HG12 VAL 30 -1.788 1.895 -2.869 75 HG13 VAL 30 HG13 VAL 30 -2.769 0.555 -3.480 76 HG21 VAL 30 HG21 VAL 30 -4.731 3.604 -1.176 77 HG22 VAL 30 HG22 VAL 30 -2.989 3.742 -1.417 78 HG23 VAL 30 HG23 VAL 30 -3.640 2.461 -0.392 79 H LYS 31 H LYS 31 -3.105 2.748 -6.081 80 HA LYS 31 HA LYS 31 -4.996 0.818 -7.256 81 HB2 LYS 31 HB2 LYS 31 -4.476 2.992 -8.445 82 HB3 LYS 31 HB3 LYS 31 -2.806 2.479 -8.613 83 HG2 LYS 31 HG2 LYS 31 -5.070 0.823 -9.764 84 HG3 LYS 31 HG3 LYS 31 -4.443 2.220 -10.634 85 HD2 LYS 31 HD2 LYS 31 -2.199 1.186 -10.699 86 HD3 LYS 31 HD3 LYS 31 -2.802 -0.198 -9.783 87 HE2 LYS 31 HE2 LYS 31 -3.812 0.616 -12.526 88 HE3 LYS 31 HE3 LYS 31 -2.609 -0.637 -12.231 89 HZ1 LYS 31 HZ1 LYS 31 -4.265 -1.855 -10.946 90 HZ2 LYS 31 HZ2 LYS 31 -4.781 -1.590 -12.531 91 HZ3 LYS 31 HZ3 LYS 31 -5.417 -0.666 -11.268 92 H THR 32 H THR 32 -4.408 -1.273 -7.416 93 HA THR 32 HA THR 32 -1.530 -2.025 -7.354 94 HB THR 32 HB THR 32 -2.019 -3.969 -6.003 95 HG1 THR 32 HG1 THR 32 -4.732 -3.382 -5.653 96 HG21 THR 32 HG21 THR 32 -2.913 -3.015 -3.916 97 HG22 THR 32 HG22 THR 32 -3.530 -1.624 -4.817 98 HG23 THR 32 HG23 THR 32 -1.796 -1.910 -4.706 99 HA PRO 33 HA PRO 33 -2.309 -4.623 -10.991 100 HB2 PRO 33 HB2 PRO 33 -1.046 -6.995 -10.241 101 HB3 PRO 33 HB3 PRO 33 -0.198 -5.558 -10.837 102 HG2 PRO 33 HG2 PRO 33 -0.704 -6.420 -7.980 103 HG3 PRO 33 HG3 PRO 33 0.820 -5.895 -8.739 104 HD2 PRO 33 HD2 PRO 33 -0.578 -4.182 -7.284 105 HD3 PRO 33 HD3 PRO 33 0.141 -3.639 -8.818 106 H LYS 34 H LYS 34 -3.792 -5.250 -8.024 107 HA LYS 34 HA LYS 34 -5.086 -7.787 -8.851 108 HB2 LYS 34 HB2 LYS 34 -4.577 -6.666 -6.054 109 HB3 LYS 34 HB3 LYS 34 -5.291 -8.240 -6.421 110 HG2 LYS 34 HG2 LYS 34 -3.213 -8.995 -7.436 111 HG3 LYS 34 HG3 LYS 34 -2.485 -7.402 -7.220 112 HD2 LYS 34 HD2 LYS 34 -2.538 -7.657 -4.808 113 HD3 LYS 34 HD3 LYS 34 -3.397 -9.194 -4.944 114 HE2 LYS 34 HE2 LYS 34 -0.579 -8.621 -5.916 115 HE3 LYS 34 HE3 LYS 34 -1.017 -9.562 -4.488 116 HZ1 LYS 34 HZ1 LYS 34 -0.499 -10.994 -6.345 117 HZ2 LYS 34 HZ2 LYS 34 -1.691 -10.264 -7.294 118 HZ3 LYS 34 HZ3 LYS 34 -2.127 -11.151 -5.928 119 H GLU 35 H GLU 35 -5.601 -4.797 -7.054 120 HA GLU 35 HA GLU 35 -8.332 -4.406 -7.862 121 HB2 GLU 35 HB2 GLU 35 -9.236 -4.501 -5.483 122 HB3 GLU 35 HB3 GLU 35 -8.801 -6.068 -6.153 123 HG2 GLU 35 HG2 GLU 35 -6.700 -6.055 -4.882 124 HG3 GLU 35 HG3 GLU 35 -7.081 -4.463 -4.241 125 H LYS 36 H LYS 36 -9.107 -2.585 -5.910 126 HA LYS 36 HA LYS 36 -6.908 -0.810 -5.241 127 HB2 LYS 36 HB2 LYS 36 -7.883 1.171 -6.422 128 HB3 LYS 36 HB3 LYS 36 -7.282 -0.064 -7.508 129 HG2 LYS 36 HG2 LYS 36 -9.235 0.207 -8.618 130 HG3 LYS 36 HG3 LYS 36 -9.939 -0.776 -7.342 131 HD2 LYS 36 HD2 LYS 36 -11.316 1.207 -7.689 132 HD3 LYS 36 HD3 LYS 36 -10.543 1.304 -6.105 133 HE2 LYS 36 HE2 LYS 36 -8.862 2.851 -6.987 134 HE3 LYS 36 HE3 LYS 36 -9.549 2.714 -8.608 135 HZ1 LYS 36 HZ1 LYS 36 -11.623 3.665 -7.705 136 HZ2 LYS 36 HZ2 LYS 36 -10.310 4.719 -7.584 137 HZ3 LYS 36 HZ3 LYS 36 -10.856 3.895 -6.216 138 H GLU 37 H GLU 37 -7.469 0.837 -3.772 139 HA GLU 37 HA GLU 37 -10.153 0.981 -2.659 140 HB2 GLU 37 HB2 GLU 37 -9.223 -0.960 -1.436 141 HB3 GLU 37 HB3 GLU 37 -7.796 -0.028 -0.997 142 HG2 GLU 37 HG2 GLU 37 -9.284 -0.152 0.905 143 HG3 GLU 37 HG3 GLU 37 -9.209 1.510 0.334 144 H GLU 38 H GLU 38 -10.537 2.951 -1.829 145 HA GLU 38 HA GLU 38 -8.313 4.872 -1.532 146 HB2 GLU 38 HB2 GLU 38 -10.169 5.511 -3.058 147 HB3 GLU 38 HB3 GLU 38 -11.315 5.334 -1.733 148 HG2 GLU 38 HG2 GLU 38 -10.188 7.172 -0.516 149 HG3 GLU 38 HG3 GLU 38 -9.056 7.363 -1.858 150 H PHE 39 H PHE 39 -7.560 4.834 0.469 151 HA PHE 39 HA PHE 39 -9.175 4.176 2.790 152 HB2 PHE 39 HB2 PHE 39 -6.237 4.921 2.515 153 HB3 PHE 39 HB3 PHE 39 -7.003 4.444 4.029 154 HD1 PHE 39 HD1 PHE 39 -5.857 3.266 0.715 155 HD2 PHE 39 HD2 PHE 39 -7.562 2.119 4.467 156 HE1 PHE 39 HE1 PHE 39 -5.403 0.911 0.208 157 HE2 PHE 39 HE2 PHE 39 -7.098 -0.240 3.948 158 HZ PHE 39 HZ PHE 39 -6.018 -0.842 1.820 159 H ALA 40 H ALA 40 -9.569 5.543 4.504 160 HA ALA 40 HA ALA 40 -9.117 8.448 4.162 161 HB1 ALA 40 HB1 ALA 40 -10.957 8.714 5.785 162 HB2 ALA 40 HB2 ALA 40 -11.133 6.961 5.877 163 HB3 ALA 40 HB3 ALA 40 -11.473 7.803 4.366 164 H VAL 41 H VAL 41 -7.410 9.119 5.246 165 HA VAL 41 HA VAL 41 -6.754 8.114 7.951 166 HB VAL 41 HB VAL 41 -4.322 8.148 7.450 167 HG11 VAL 41 HG11 VAL 41 -5.488 5.997 7.256 168 HG12 VAL 41 HG12 VAL 41 -4.146 6.084 6.114 169 HG13 VAL 41 HG13 VAL 41 -5.805 6.299 5.544 170 HG21 VAL 41 HG21 VAL 41 -4.260 9.787 5.614 171 HG22 VAL 41 HG22 VAL 41 -5.068 8.647 4.536 172 HG23 VAL 41 HG23 VAL 41 -3.444 8.295 5.137 173 HA PRO 42 HA PRO 42 -6.891 12.518 8.555 174 HB2 PRO 42 HB2 PRO 42 -5.917 12.792 11.061 175 HB3 PRO 42 HB3 PRO 42 -7.396 11.874 10.748 176 HG2 PRO 42 HG2 PRO 42 -4.592 10.845 11.164 177 HG3 PRO 42 HG3 PRO 42 -6.104 10.274 11.901 178 HD2 PRO 42 HD2 PRO 42 -4.932 9.079 9.713 179 HD3 PRO 42 HD3 PRO 42 -6.678 9.024 10.026 180 H GLU 43 H GLU 43 -4.513 11.630 7.040 181 HA GLU 43 HA GLU 43 -2.399 12.010 6.422 182 HB2 GLU 43 HB2 GLU 43 -1.877 14.304 5.852 183 HB3 GLU 43 HB3 GLU 43 -3.573 13.984 5.519 184 HG2 GLU 43 HG2 GLU 43 -4.192 15.196 7.578 185 HG3 GLU 43 HG3 GLU 43 -2.488 15.511 7.905 186 H ASN 44 H ASN 44 -2.770 11.585 9.330 187 HA ASN 44 HA ASN 44 -0.196 12.591 10.351 188 HB2 ASN 44 HB2 ASN 44 -2.329 13.193 11.631 189 HB3 ASN 44 HB3 ASN 44 -2.564 11.481 11.948 190 HD21 ASN 44 HD21 ASN 44 -0.729 14.326 12.758 191 HD22 ASN 44 HD22 ASN 44 0.090 13.655 14.123 192 H SER 45 H SER 45 -2.125 9.864 9.383 193 HA SER 45 HA SER 45 -0.529 7.751 10.408 194 HB2 SER 45 HB2 SER 45 -2.259 7.771 7.896 195 HB3 SER 45 HB3 SER 45 -1.744 6.349 8.805 196 HG SER 45 HG SER 45 -2.977 7.150 10.570 197 H SER 46 H SER 46 1.551 7.467 9.898 198 HA SER 46 HA SER 46 2.866 8.348 7.512 199 HB2 SER 46 HB2 SER 46 4.771 6.936 8.452 200 HB3 SER 46 HB3 SER 46 4.150 8.153 9.565 201 HG SER 46 HG SER 46 3.223 6.615 10.768 202 H VAL 47 H VAL 47 4.154 6.672 6.127 203 HA VAL 47 HA VAL 47 2.502 4.725 4.915 204 HB VAL 47 HB VAL 47 5.541 4.994 4.935 205 HG11 VAL 47 HG11 VAL 47 3.873 3.170 3.157 206 HG12 VAL 47 HG12 VAL 47 5.034 2.664 4.383 207 HG13 VAL 47 HG13 VAL 47 5.595 3.505 2.939 208 HG21 VAL 47 HG21 VAL 47 3.488 5.795 2.829 209 HG22 VAL 47 HG22 VAL 47 5.236 5.969 2.675 210 HG23 VAL 47 HG23 VAL 47 4.367 6.890 3.896 211 H GLN 48 H GLN 48 4.815 4.521 7.574 212 HA GLN 48 HA GLN 48 4.860 1.872 8.293 213 HB2 GLN 48 HB2 GLN 48 6.140 3.733 9.383 214 HB3 GLN 48 HB3 GLN 48 4.667 4.265 10.170 215 HG2 GLN 48 HG2 GLN 48 6.015 3.058 11.764 216 HG3 GLN 48 HG3 GLN 48 4.571 2.110 11.412 217 HE21 GLN 48 HE21 GLN 48 5.646 0.238 12.186 218 HE22 GLN 48 HE22 GLN 48 6.846 -0.577 11.248 219 H GLN 49 H GLN 49 2.321 4.273 9.043 220 HA GLN 49 HA GLN 49 0.723 2.301 10.516 221 HB2 GLN 49 HB2 GLN 49 1.021 4.668 11.330 222 HB3 GLN 49 HB3 GLN 49 0.101 5.227 9.937 223 HG2 GLN 49 HG2 GLN 49 -1.872 3.987 10.740 224 HG3 GLN 49 HG3 GLN 49 -0.949 3.391 12.119 225 HE21 GLN 49 HE21 GLN 49 -3.391 4.936 12.157 226 HE22 GLN 49 HE22 GLN 49 -3.042 6.387 13.023 227 H PHE 50 H PHE 50 1.004 3.430 7.324 228 HA PHE 50 HA PHE 50 -1.808 3.408 6.629 229 HB2 PHE 50 HB2 PHE 50 -0.235 5.074 5.646 230 HB3 PHE 50 HB3 PHE 50 0.621 3.771 4.832 231 HD1 PHE 50 HD1 PHE 50 -2.944 4.913 5.221 232 HD2 PHE 50 HD2 PHE 50 0.106 3.569 2.546 233 HE1 PHE 50 HE1 PHE 50 -4.486 5.151 3.333 234 HE2 PHE 50 HE2 PHE 50 -1.452 3.811 0.657 235 HZ PHE 50 HZ PHE 50 -3.747 4.600 1.053 236 H LYS 51 H LYS 51 1.079 1.468 5.799 237 HA LYS 51 HA LYS 51 -0.334 -0.297 4.070 238 HB2 LYS 51 HB2 LYS 51 1.669 -1.308 3.598 239 HB3 LYS 51 HB3 LYS 51 2.232 0.246 4.171 240 HG2 LYS 51 HG2 LYS 51 2.279 -2.370 5.687 241 HG3 LYS 51 HG3 LYS 51 3.651 -1.555 4.957 242 HD2 LYS 51 HD2 LYS 51 3.126 0.384 6.607 243 HD3 LYS 51 HD3 LYS 51 2.099 -0.781 7.442 244 HE2 LYS 51 HE2 LYS 51 4.231 -2.312 7.432 245 HE3 LYS 51 HE3 LYS 51 5.094 -0.815 7.078 246 HZ1 LYS 51 HZ1 LYS 51 5.043 -1.378 9.450 247 HZ2 LYS 51 HZ2 LYS 51 3.354 -1.230 9.442 248 HZ3 LYS 51 HZ3 LYS 51 4.319 0.112 9.124 249 H GLU 52 H GLU 52 -0.031 -0.144 7.449 250 HA GLU 52 HA GLU 52 -0.736 -2.704 8.325 251 HB2 GLU 52 HB2 GLU 52 -1.538 0.025 9.423 252 HB3 GLU 52 HB3 GLU 52 -1.701 -1.487 10.314 253 HG2 GLU 52 HG2 GLU 52 0.929 -0.358 9.311 254 HG3 GLU 52 HG3 GLU 52 0.298 -0.113 10.938 255 H GLU 53 H GLU 53 -2.807 0.050 7.405 256 HA GLU 53 HA GLU 53 -5.281 -1.377 7.641 257 HB2 GLU 53 HB2 GLU 53 -4.649 1.254 6.245 258 HB3 GLU 53 HB3 GLU 53 -6.273 0.629 6.526 259 HG2 GLU 53 HG2 GLU 53 -4.260 1.538 8.595 260 HG3 GLU 53 HG3 GLU 53 -5.813 2.276 8.208 261 H ILE 54 H ILE 54 -2.990 -0.837 5.020 262 HA ILE 54 HA ILE 54 -4.585 -1.767 2.875 263 HB ILE 54 HB ILE 54 -1.556 -1.875 3.219 264 HG12 ILE 54 HG12 ILE 54 -3.295 0.138 1.701 265 HG13 ILE 54 HG13 ILE 54 -2.422 0.444 3.198 266 HG21 ILE 54 HG21 ILE 54 -2.280 -3.539 1.555 267 HG22 ILE 54 HG22 ILE 54 -1.389 -2.228 0.796 268 HG23 ILE 54 HG23 ILE 54 -3.146 -2.288 0.658 269 HD11 ILE 54 HD11 ILE 54 -1.140 -0.189 0.527 270 HD12 ILE 54 HD12 ILE 54 -0.293 0.169 2.037 271 HD13 ILE 54 HD13 ILE 54 -1.284 1.405 1.270 272 H SER 55 H SER 55 -2.652 -3.499 5.325 273 HA SER 55 HA SER 55 -2.331 -5.921 3.911 274 HB2 SER 55 HB2 SER 55 -1.531 -6.889 6.015 275 HB3 SER 55 HB3 SER 55 -0.879 -5.263 5.814 276 HG SER 55 HG SER 55 -1.870 -4.677 7.570 277 H LYS 56 H LYS 56 -4.785 -4.918 6.228 278 HA LYS 56 HA LYS 56 -6.209 -7.441 6.276 279 HB2 LYS 56 HB2 LYS 56 -7.838 -6.194 7.663 280 HB3 LYS 56 HB3 LYS 56 -6.190 -5.918 8.218 281 HG2 LYS 56 HG2 LYS 56 -6.243 -3.746 6.833 282 HG3 LYS 56 HG3 LYS 56 -7.978 -4.009 6.683 283 HD2 LYS 56 HD2 LYS 56 -7.539 -2.442 8.494 284 HD3 LYS 56 HD3 LYS 56 -8.189 -3.942 9.162 285 HE2 LYS 56 HE2 LYS 56 -5.978 -4.634 9.896 286 HE3 LYS 56 HE3 LYS 56 -5.229 -3.263 9.075 287 HZ1 LYS 56 HZ1 LYS 56 -6.301 -1.766 10.589 288 HZ2 LYS 56 HZ2 LYS 56 -5.480 -2.947 11.482 289 HZ3 LYS 56 HZ3 LYS 56 -7.159 -3.029 11.319 290 H ARG 57 H ARG 57 -6.293 -4.552 4.361 291 HA ARG 57 HA ARG 57 -9.021 -4.797 3.448 292 HB2 ARG 57 HB2 ARG 57 -7.740 -2.636 3.789 293 HB3 ARG 57 HB3 ARG 57 -6.770 -3.050 2.387 294 HG2 ARG 57 HG2 ARG 57 -8.357 -1.533 1.570 295 HG3 ARG 57 HG3 ARG 57 -8.972 -3.104 1.068 296 HD2 ARG 57 HD2 ARG 57 -9.925 -1.617 3.537 297 HD3 ARG 57 HD3 ARG 57 -10.715 -1.521 1.966 298 HE ARG 57 HE ARG 57 -10.567 -3.912 3.695 299 HH11 ARG 57 HH11 ARG 57 -12.095 -2.216 1.029 300 HH12 ARG 57 HH12 ARG 57 -13.368 -3.382 0.873 301 HH21 ARG 57 HH21 ARG 57 -12.213 -5.438 3.453 302 HH22 ARG 57 HH22 ARG 57 -13.433 -5.210 2.242 303 H PHE 58 H PHE 58 -5.815 -5.431 2.160 304 HA PHE 58 HA PHE 58 -6.838 -6.507 -0.387 305 HB2 PHE 58 HB2 PHE 58 -4.053 -5.595 0.471 306 HB3 PHE 58 HB3 PHE 58 -4.383 -6.385 -1.068 307 HD1 PHE 58 HD1 PHE 58 -5.421 -3.384 0.961 308 HD2 PHE 58 HD2 PHE 58 -4.947 -5.059 -2.937 309 HE1 PHE 58 HE1 PHE 58 -5.968 -1.210 -0.049 310 HE2 PHE 58 HE2 PHE 58 -5.493 -2.879 -3.932 311 HZ PHE 58 HZ PHE 58 -6.005 -0.952 -2.495 312 H LYS 59 H LYS 59 -6.176 -7.588 2.645 313 HA LYS 59 HA LYS 59 -5.778 -9.549 3.667 314 HB2 LYS 59 HB2 LYS 59 -6.483 -10.813 0.979 315 HB3 LYS 59 HB3 LYS 59 -6.438 -11.653 2.522 316 HG2 LYS 59 HG2 LYS 59 -8.725 -11.284 2.268 317 HG3 LYS 59 HG3 LYS 59 -8.258 -9.904 3.261 318 HD2 LYS 59 HD2 LYS 59 -8.051 -8.590 1.063 319 HD3 LYS 59 HD3 LYS 59 -8.846 -9.955 0.289 320 HE2 LYS 59 HE2 LYS 59 -10.804 -9.619 1.788 321 HE3 LYS 59 HE3 LYS 59 -9.978 -8.227 2.509 322 HZ1 LYS 59 HZ1 LYS 59 -11.552 -7.537 0.803 323 HZ2 LYS 59 HZ2 LYS 59 -10.763 -8.489 -0.349 324 HZ3 LYS 59 HZ3 LYS 59 -9.971 -7.161 0.330 325 H SER 60 H SER 60 -3.551 -8.201 2.597 326 HA SER 60 HA SER 60 -1.626 -10.352 1.944 327 HB2 SER 60 HB2 SER 60 -1.891 -7.622 0.616 328 HB3 SER 60 HB3 SER 60 -0.578 -8.766 0.328 329 HG SER 60 HG SER 60 -3.320 -9.330 -0.111 330 H HIS 61 H HIS 61 -0.026 -10.339 3.460 331 HA HIS 61 HA HIS 61 0.054 -8.578 5.633 332 HB2 HIS 61 HB2 HIS 61 1.992 -10.682 4.660 333 HB3 HIS 61 HB3 HIS 61 2.381 -9.704 6.069 334 HD1 HIS 61 HD1 HIS 61 0.751 -12.791 5.167 335 HD2 HIS 61 HD2 HIS 61 0.317 -9.976 8.182 336 HE1 HIS 61 HE1 HIS 61 -0.510 -13.948 6.995 337 HE2 HIS 61 HE2 HIS 61 -0.575 -12.291 8.883 338 H THR 62 H THR 62 1.732 -7.213 6.427 339 HA THR 62 HA THR 62 2.141 -5.018 4.738 340 HB THR 62 HB THR 62 3.391 -4.023 6.685 341 HG1 THR 62 HG1 THR 62 3.118 -6.677 7.661 342 HG21 THR 62 HG21 THR 62 0.927 -3.857 6.587 343 HG22 THR 62 HG22 THR 62 1.488 -4.010 8.250 344 HG23 THR 62 HG23 THR 62 0.783 -5.403 7.429 345 H ASP 63 H ASP 63 4.262 -7.659 5.443 346 HA ASP 63 HA ASP 63 6.762 -6.516 4.775 347 HB2 ASP 63 HB2 ASP 63 6.523 -8.675 5.979 348 HB3 ASP 63 HB3 ASP 63 5.835 -9.413 4.542 349 H GLN 64 H GLN 64 4.258 -8.115 2.841 350 HA GLN 64 HA GLN 64 5.853 -8.123 0.407 351 HB2 GLN 64 HB2 GLN 64 3.041 -9.119 1.002 352 HB3 GLN 64 HB3 GLN 64 3.833 -9.281 -0.567 353 HG2 GLN 64 HG2 GLN 64 5.615 -10.640 0.463 354 HG3 GLN 64 HG3 GLN 64 4.843 -10.475 2.039 355 HE21 GLN 64 HE21 GLN 64 2.900 -11.592 2.424 356 HE22 GLN 64 HE22 GLN 64 2.387 -12.907 1.436 357 H LEU 65 H LEU 65 4.032 -5.826 1.902 358 HA LEU 65 HA LEU 65 2.887 -4.583 -0.487 359 HB2 LEU 65 HB2 LEU 65 2.954 -3.596 2.400 360 HB3 LEU 65 HB3 LEU 65 1.981 -2.929 1.096 361 HG LEU 65 HG LEU 65 1.639 -5.706 2.288 362 HD11 LEU 65 HD11 LEU 65 -0.415 -4.848 3.299 363 HD12 LEU 65 HD12 LEU 65 -0.068 -3.234 2.676 364 HD13 LEU 65 HD13 LEU 65 0.996 -3.962 3.878 365 HD21 LEU 65 HD21 LEU 65 -0.075 -4.267 0.234 366 HD22 LEU 65 HD22 LEU 65 -0.438 -5.825 0.986 367 HD23 LEU 65 HD23 LEU 65 0.965 -5.664 -0.065 368 H VAL 66 H VAL 66 4.295 -3.443 -1.749 369 HA VAL 66 HA VAL 66 6.030 -1.445 -0.396 370 HB VAL 66 HB VAL 66 7.584 -1.486 -2.378 371 HG11 VAL 66 HG11 VAL 66 8.822 -3.525 -1.726 372 HG12 VAL 66 HG12 VAL 66 7.400 -4.126 -0.872 373 HG13 VAL 66 HG13 VAL 66 8.211 -2.663 -0.312 374 HG21 VAL 66 HG21 VAL 66 6.126 -4.038 -3.188 375 HG22 VAL 66 HG22 VAL 66 7.617 -3.428 -3.908 376 HG23 VAL 66 HG23 VAL 66 6.122 -2.514 -4.079 377 H LEU 67 H LEU 67 5.125 0.472 -0.619 378 HA LEU 67 HA LEU 67 3.335 1.189 -2.805 379 HB2 LEU 67 HB2 LEU 67 4.449 2.714 -0.414 380 HB3 LEU 67 HB3 LEU 67 3.428 3.477 -1.619 381 HG LEU 67 HG LEU 67 2.525 1.119 0.080 382 HD11 LEU 67 HD11 LEU 67 3.002 3.047 1.525 383 HD12 LEU 67 HD12 LEU 67 1.273 2.735 1.433 384 HD13 LEU 67 HD13 LEU 67 1.975 4.075 0.522 385 HD21 LEU 67 HD21 LEU 67 1.296 1.375 -2.043 386 HD22 LEU 67 HD22 LEU 67 0.926 3.052 -1.640 387 HD23 LEU 67 HD23 LEU 67 0.271 1.740 -0.658 388 H ILE 68 H ILE 68 3.949 2.362 -4.581 389 HA ILE 68 HA ILE 68 6.618 3.639 -4.635 390 HB ILE 68 HB ILE 68 5.313 2.237 -7.030 391 HG12 ILE 68 HG12 ILE 68 7.594 0.906 -6.918 392 HG13 ILE 68 HG13 ILE 68 7.632 1.418 -5.243 393 HG21 ILE 68 HG21 ILE 68 7.393 2.809 -8.270 394 HG22 ILE 68 HG22 ILE 68 7.958 3.741 -6.880 395 HG23 ILE 68 HG23 ILE 68 6.510 4.244 -7.749 396 HD11 ILE 68 HD11 ILE 68 5.509 -0.263 -6.562 397 HD12 ILE 68 HD12 ILE 68 5.482 0.263 -4.879 398 HD13 ILE 68 HD13 ILE 68 6.753 -0.822 -5.445 399 H PHE 69 H PHE 69 6.628 5.683 -5.294 400 HA PHE 69 HA PHE 69 4.594 6.869 -6.965 401 HB2 PHE 69 HB2 PHE 69 3.664 6.961 -4.551 402 HB3 PHE 69 HB3 PHE 69 4.959 8.091 -4.193 403 HD1 PHE 69 HD1 PHE 69 4.934 10.387 -5.229 404 HD2 PHE 69 HD2 PHE 69 1.724 7.634 -5.860 405 HE1 PHE 69 HE1 PHE 69 3.507 12.221 -6.012 406 HE2 PHE 69 HE2 PHE 69 0.296 9.484 -6.642 407 HZ PHE 69 HZ PHE 69 1.190 11.780 -6.722 408 H ALA 70 H ALA 70 5.381 8.637 -8.024 409 HA ALA 70 HA ALA 70 6.778 10.171 -8.906 410 HB1 ALA 70 HB1 ALA 70 8.425 11.364 -7.528 411 HB2 ALA 70 HB2 ALA 70 8.281 10.136 -6.264 412 HB3 ALA 70 HB3 ALA 70 6.907 11.165 -6.654 413 H GLY 71 H GLY 71 7.705 7.082 -8.239 414 HA2 GLY 71 HA2 GLY 71 9.149 6.016 -9.907 415 HA3 GLY 71 HA3 GLY 71 10.331 7.284 -9.610 416 H LYS 72 H LYS 72 9.553 7.095 -6.618 417 HA LYS 72 HA LYS 72 11.522 4.953 -6.032 418 HB2 LYS 72 HB2 LYS 72 11.993 6.155 -3.920 419 HB3 LYS 72 HB3 LYS 72 12.220 7.189 -5.319 420 HG2 LYS 72 HG2 LYS 72 11.175 8.632 -3.825 421 HG3 LYS 72 HG3 LYS 72 9.809 8.064 -4.781 422 HD2 LYS 72 HD2 LYS 72 9.113 8.043 -2.482 423 HD3 LYS 72 HD3 LYS 72 9.337 6.369 -2.954 424 HE2 LYS 72 HE2 LYS 72 10.279 6.478 -0.813 425 HE3 LYS 72 HE3 LYS 72 11.687 6.595 -1.865 426 HZ1 LYS 72 HZ1 LYS 72 10.317 8.797 -0.437 427 HZ2 LYS 72 HZ2 LYS 72 11.545 9.032 -1.578 428 HZ3 LYS 72 HZ3 LYS 72 11.870 8.190 -0.154 429 H ILE 73 H ILE 73 11.146 3.422 -4.433 430 HA ILE 73 HA ILE 73 8.471 2.762 -3.650 431 HB ILE 73 HB ILE 73 9.361 0.959 -2.275 432 HG12 ILE 73 HG12 ILE 73 11.348 2.010 -1.222 433 HG13 ILE 73 HG13 ILE 73 11.757 0.461 -1.930 434 HG21 ILE 73 HG21 ILE 73 10.589 -0.361 -3.971 435 HG22 ILE 73 HG22 ILE 73 10.842 1.115 -4.906 436 HG23 ILE 73 HG23 ILE 73 9.206 0.509 -4.648 437 HD11 ILE 73 HD11 ILE 73 13.517 2.093 -2.264 438 HD12 ILE 73 HD12 ILE 73 12.396 3.166 -3.107 439 HD13 ILE 73 HD13 ILE 73 12.823 1.605 -3.808 440 H LEU 74 H LEU 74 7.332 3.897 -2.179 441 HA LEU 74 HA LEU 74 8.267 5.860 -0.452 442 HB2 LEU 74 HB2 LEU 74 5.728 4.217 -0.086 443 HB3 LEU 74 HB3 LEU 74 6.083 5.750 0.698 444 HG LEU 74 HG LEU 74 5.505 5.272 -2.240 445 HD11 LEU 74 HD11 LEU 74 3.535 5.311 -0.801 446 HD12 LEU 74 HD12 LEU 74 3.571 6.733 -1.839 447 HD13 LEU 74 HD13 LEU 74 4.018 6.874 -0.136 448 HD21 LEU 74 HD21 LEU 74 6.369 7.875 -0.925 449 HD22 LEU 74 HD22 LEU 74 5.746 7.720 -2.570 450 HD23 LEU 74 HD23 LEU 74 7.267 6.953 -2.132 451 H LYS 75 H LYS 75 9.502 5.667 1.262 452 HA LYS 75 HA LYS 75 9.685 3.205 2.829 453 HB2 LYS 75 HB2 LYS 75 11.123 5.855 3.347 454 HB3 LYS 75 HB3 LYS 75 11.569 4.258 3.941 455 HG2 LYS 75 HG2 LYS 75 11.729 5.221 1.063 456 HG3 LYS 75 HG3 LYS 75 13.087 4.981 2.162 457 HD2 LYS 75 HD2 LYS 75 11.249 2.794 1.099 458 HD3 LYS 75 HD3 LYS 75 12.878 3.137 0.516 459 HE2 LYS 75 HE2 LYS 75 12.136 2.158 3.293 460 HE3 LYS 75 HE3 LYS 75 12.894 1.205 2.019 461 HZ1 LYS 75 HZ1 LYS 75 14.790 2.736 2.124 462 HZ2 LYS 75 HZ2 LYS 75 14.545 1.906 3.568 463 HZ3 LYS 75 HZ3 LYS 75 14.075 3.530 3.434 464 H ASP 76 H ASP 76 9.443 3.363 5.204 465 HA ASP 76 HA ASP 76 6.909 4.339 5.929 466 HB2 ASP 76 HB2 ASP 76 7.428 3.575 8.183 467 HB3 ASP 76 HB3 ASP 76 8.015 2.404 7.018 468 H GLN 77 H GLN 77 10.018 5.850 6.033 469 HA GLN 77 HA GLN 77 9.545 7.753 8.112 470 HB2 GLN 77 HB2 GLN 77 11.733 8.684 7.482 471 HB3 GLN 77 HB3 GLN 77 11.813 6.932 7.617 472 HG2 GLN 77 HG2 GLN 77 11.692 6.763 5.135 473 HG3 GLN 77 HG3 GLN 77 11.686 8.525 5.034 474 HE21 GLN 77 HE21 GLN 77 13.641 8.658 3.909 475 HE22 GLN 77 HE22 GLN 77 15.164 8.264 4.615 476 H ASP 78 H ASP 78 9.377 7.909 4.527 477 HA ASP 78 HA ASP 78 8.449 10.705 4.691 478 HB2 ASP 78 HB2 ASP 78 8.611 10.795 2.232 479 HB3 ASP 78 HB3 ASP 78 10.140 10.327 2.954 480 H THR 79 H THR 79 6.388 10.888 5.182 481 HA THR 79 HA THR 79 4.461 8.789 4.919 482 HB THR 79 HB THR 79 2.832 10.331 5.907 483 HG1 THR 79 HG1 THR 79 3.064 12.486 5.903 484 HG21 THR 79 HG21 THR 79 3.993 11.052 7.952 485 HG22 THR 79 HG22 THR 79 5.556 10.854 7.150 486 HG23 THR 79 HG23 THR 79 4.540 9.445 7.462 487 H LEU 80 H LEU 80 2.392 9.034 3.778 488 HA LEU 80 HA LEU 80 2.608 9.577 1.050 489 HB2 LEU 80 HB2 LEU 80 0.049 9.404 1.096 490 HB3 LEU 80 HB3 LEU 80 0.964 8.035 1.684 491 HG LEU 80 HG LEU 80 0.515 9.180 4.083 492 HD11 LEU 80 HD11 LEU 80 -0.640 11.167 3.319 493 HD12 LEU 80 HD12 LEU 80 -1.737 10.162 4.260 494 HD13 LEU 80 HD13 LEU 80 -1.857 10.189 2.498 495 HD21 LEU 80 HD21 LEU 80 -1.434 7.722 4.391 496 HD22 LEU 80 HD22 LEU 80 -0.147 6.906 3.505 497 HD23 LEU 80 HD23 LEU 80 -1.565 7.509 2.643 498 H SER 81 H SER 81 1.230 11.550 3.646 499 HA SER 81 HA SER 81 0.340 13.733 2.084 500 HB2 SER 81 HB2 SER 81 0.298 14.871 4.404 501 HB3 SER 81 HB3 SER 81 -0.641 13.389 4.237 502 HG SER 81 HG SER 81 0.916 13.725 6.123 503 H GLN 82 H GLN 82 3.415 13.021 3.673 504 HA GLN 82 HA GLN 82 4.748 15.501 3.187 505 HB2 GLN 82 HB2 GLN 82 5.599 13.909 4.862 506 HB3 GLN 82 HB3 GLN 82 5.854 12.689 3.626 507 HG2 GLN 82 HG2 GLN 82 7.982 13.672 4.286 508 HG3 GLN 82 HG3 GLN 82 7.626 14.073 2.605 509 HE21 GLN 82 HE21 GLN 82 8.915 15.897 2.531 510 HE22 GLN 82 HE22 GLN 82 8.581 17.335 3.421 511 H HIS 83 H HIS 83 4.179 12.598 1.282 512 HA HIS 83 HA HIS 83 6.116 13.376 -0.775 513 HB2 HIS 83 HB2 HIS 83 5.563 10.917 0.182 514 HB3 HIS 83 HB3 HIS 83 4.344 10.945 -1.089 515 HD1 HIS 83 HD1 HIS 83 7.896 10.424 -0.478 516 HD2 HIS 83 HD2 HIS 83 5.531 11.327 -3.763 517 HE1 HIS 83 HE1 HIS 83 9.351 10.069 -2.477 518 HE2 HIS 83 HE2 HIS 83 7.979 10.866 -4.419 519 H GLY 84 H GLY 84 3.229 14.553 -0.120 520 HA2 GLY 84 HA2 GLY 84 2.007 16.041 -1.407 521 HA3 GLY 84 HA3 GLY 84 2.778 15.431 -2.859 522 H ILE 85 H ILE 85 1.591 12.896 -1.025 523 HA ILE 85 HA ILE 85 -0.626 12.412 -2.863 524 HB ILE 85 HB ILE 85 0.310 10.596 -0.596 525 HG12 ILE 85 HG12 ILE 85 1.310 10.469 -3.491 526 HG13 ILE 85 HG13 ILE 85 2.221 11.204 -2.173 527 HG21 ILE 85 HG21 ILE 85 -0.709 8.792 -1.968 528 HG22 ILE 85 HG22 ILE 85 -1.207 9.982 -3.172 529 HG23 ILE 85 HG23 ILE 85 -1.892 10.031 -1.549 530 HD11 ILE 85 HD11 ILE 85 2.977 8.959 -2.659 531 HD12 ILE 85 HD12 ILE 85 1.377 8.317 -2.297 532 HD13 ILE 85 HD13 ILE 85 2.335 9.082 -1.026 533 H HIS 86 H HIS 86 -2.120 13.904 -2.214 534 HA HIS 86 HA HIS 86 -3.187 13.822 0.548 535 HB2 HIS 86 HB2 HIS 86 -3.345 16.001 -1.590 536 HB3 HIS 86 HB3 HIS 86 -4.220 16.063 -0.063 537 HD1 HIS 86 HD1 HIS 86 -2.851 16.550 2.080 538 HD2 HIS 86 HD2 HIS 86 -0.592 16.577 -1.404 539 HE1 HIS 86 HE1 HIS 86 -0.644 17.539 2.720 540 HE2 HIS 86 HE2 HIS 86 0.579 17.789 0.547 541 H ASP 87 H ASP 87 -5.698 14.898 0.088 542 HA ASP 87 HA ASP 87 -7.223 12.632 -0.569 543 HB2 ASP 87 HB2 ASP 87 -9.201 14.138 -0.296 544 HB3 ASP 87 HB3 ASP 87 -8.056 14.253 1.032 545 H GLY 88 H GLY 88 -7.574 11.808 -2.521 546 HA2 GLY 88 HA2 GLY 88 -8.637 11.941 -4.681 547 HA3 GLY 88 HA3 GLY 88 -7.981 13.555 -4.886 548 H LEU 89 H LEU 89 -5.349 12.428 -3.711 549 HA LEU 89 HA LEU 89 -4.139 11.775 -6.255 550 HB2 LEU 89 HB2 LEU 89 -3.058 12.133 -3.446 551 HB3 LEU 89 HB3 LEU 89 -2.054 11.365 -4.658 552 HG LEU 89 HG LEU 89 -1.461 13.717 -4.447 553 HD11 LEU 89 HD11 LEU 89 -2.845 13.229 -7.099 554 HD12 LEU 89 HD12 LEU 89 -1.223 12.692 -6.659 555 HD13 LEU 89 HD13 LEU 89 -1.575 14.412 -6.777 556 HD21 LEU 89 HD21 LEU 89 -3.581 14.613 -3.631 557 HD22 LEU 89 HD22 LEU 89 -4.314 14.390 -5.220 558 HD23 LEU 89 HD23 LEU 89 -2.990 15.537 -5.008 559 H THR 90 H THR 90 -3.186 9.859 -6.839 560 HA THR 90 HA THR 90 -4.098 7.424 -5.435 561 HB THR 90 HB THR 90 -3.642 7.743 -8.441 562 HG1 THR 90 HG1 THR 90 -5.444 8.992 -7.465 563 HG21 THR 90 HG21 THR 90 -3.471 5.398 -7.632 564 HG22 THR 90 HG22 THR 90 -4.921 5.627 -8.606 565 HG23 THR 90 HG23 THR 90 -5.049 5.550 -6.850 566 H VAL 91 H VAL 91 -2.415 6.507 -4.494 567 HA VAL 91 HA VAL 91 0.300 6.600 -5.588 568 HB VAL 91 HB VAL 91 0.001 7.021 -3.150 569 HG11 VAL 91 HG11 VAL 91 -1.042 4.179 -2.935 570 HG12 VAL 91 HG12 VAL 91 -1.981 5.656 -2.710 571 HG13 VAL 91 HG13 VAL 91 -0.684 5.259 -1.583 572 HG21 VAL 91 HG21 VAL 91 1.740 5.479 -2.300 573 HG22 VAL 91 HG22 VAL 91 2.132 6.067 -3.914 574 HG23 VAL 91 HG23 VAL 91 1.506 4.433 -3.704 575 H HIS 92 H HIS 92 1.404 4.726 -6.191 576 HA HIS 92 HA HIS 92 -0.225 2.439 -7.056 577 HB2 HIS 92 HB2 HIS 92 2.733 3.033 -7.551 578 HB3 HIS 92 HB3 HIS 92 1.787 1.766 -8.321 579 HD1 HIS 92 HD1 HIS 92 0.962 2.356 -10.579 580 HD2 HIS 92 HD2 HIS 92 1.649 5.745 -8.283 581 HE1 HIS 92 HE1 HIS 92 0.622 4.294 -12.125 582 HE2 HIS 92 HE2 HIS 92 0.856 6.328 -10.670 583 H LEU 93 H LEU 93 0.236 0.321 -6.378 584 HA LEU 93 HA LEU 93 2.223 -0.148 -4.247 585 HB2 LEU 93 HB2 LEU 93 0.189 0.290 -3.002 586 HB3 LEU 93 HB3 LEU 93 -0.751 -0.721 -4.072 587 HG LEU 93 HG LEU 93 0.567 -2.729 -3.187 588 HD11 LEU 93 HD11 LEU 93 1.681 -2.531 -1.026 589 HD12 LEU 93 HD12 LEU 93 1.491 -0.777 -1.071 590 HD13 LEU 93 HD13 LEU 93 2.499 -1.591 -2.269 591 HD21 LEU 93 HD21 LEU 93 -1.127 -1.213 -1.190 592 HD22 LEU 93 HD22 LEU 93 -0.746 -2.938 -1.136 593 HD23 LEU 93 HD23 LEU 93 -1.706 -2.293 -2.458 594 H VAL 94 H VAL 94 3.216 -2.007 -4.516 595 HA VAL 94 HA VAL 94 2.180 -4.018 -6.429 596 HB VAL 94 HB VAL 94 5.112 -3.368 -5.791 597 HG11 VAL 94 HG11 VAL 94 5.691 -5.026 -7.544 598 HG12 VAL 94 HG12 VAL 94 3.988 -5.457 -7.705 599 HG13 VAL 94 HG13 VAL 94 4.840 -5.775 -6.193 600 HG21 VAL 94 HG21 VAL 94 4.098 -1.667 -7.237 601 HG22 VAL 94 HG22 VAL 94 3.522 -2.912 -8.348 602 HG23 VAL 94 HG23 VAL 94 5.255 -2.632 -8.155 603 H ILE 95 H ILE 95 1.578 -5.813 -5.438 604 HA ILE 95 HA ILE 95 2.641 -6.452 -2.754 605 HB ILE 95 HB ILE 95 0.102 -7.617 -3.972 606 HG12 ILE 95 HG12 ILE 95 0.308 -5.124 -2.202 607 HG13 ILE 95 HG13 ILE 95 -0.200 -5.150 -3.887 608 HG21 ILE 95 HG21 ILE 95 1.056 -7.370 -1.090 609 HG22 ILE 95 HG22 ILE 95 1.138 -8.829 -2.076 610 HG23 ILE 95 HG23 ILE 95 -0.427 -8.159 -1.637 611 HD11 ILE 95 HD11 ILE 95 -1.669 -6.415 -1.572 612 HD12 ILE 95 HD12 ILE 95 -2.182 -6.458 -3.265 613 HD13 ILE 95 HD13 ILE 95 -2.091 -4.919 -2.408 614 H LYS 96 H LYS 96 3.518 -8.476 -2.383 615 HA LYS 96 HA LYS 96 4.469 -9.901 -4.764 616 HB2 LYS 96 HB2 LYS 96 5.270 -10.470 -1.889 617 HB3 LYS 96 HB3 LYS 96 6.170 -10.830 -3.356 618 HG2 LYS 96 HG2 LYS 96 5.708 -8.091 -2.135 619 HG3 LYS 96 HG3 LYS 96 7.219 -9.001 -2.151 620 HD2 LYS 96 HD2 LYS 96 7.325 -8.800 -4.609 621 HD3 LYS 96 HD3 LYS 96 5.788 -7.929 -4.616 622 HE2 LYS 96 HE2 LYS 96 7.649 -6.367 -4.822 623 HE3 LYS 96 HE3 LYS 96 6.816 -6.112 -3.290 624 HZ1 LYS 96 HZ1 LYS 96 9.354 -7.617 -3.654 625 HZ2 LYS 96 HZ2 LYS 96 8.557 -7.375 -2.186 626 HZ3 LYS 96 HZ3 LYS 96 9.209 -6.058 -3.021 627 H THR 97 H THR 97 1.753 -10.235 -2.922 628 HA THR 97 HA THR 97 1.787 -13.017 -2.250 629 HB THR 97 HB THR 97 -0.688 -12.712 -1.828 630 HG1 THR 97 HG1 THR 97 -1.249 -10.317 -1.838 631 HG21 THR 97 HG21 THR 97 -0.433 -11.211 0.105 632 HG22 THR 97 HG22 THR 97 1.104 -10.626 -0.531 633 HG23 THR 97 HG23 THR 97 0.941 -12.308 -0.019 634 H GLN 98 H GLN 98 2.051 -14.398 -3.897 635 HA GLN 98 HA GLN 98 0.622 -14.274 -6.407 636 HB2 GLN 98 HB2 GLN 98 1.695 -16.445 -6.870 637 HB3 GLN 98 HB3 GLN 98 2.869 -15.296 -6.239 638 HG2 GLN 98 HG2 GLN 98 2.548 -16.369 -3.961 639 HG3 GLN 98 HG3 GLN 98 1.599 -17.617 -4.765 640 HE21 GLN 98 HE21 GLN 98 4.081 -17.869 -3.268 641 HE22 GLN 98 HE22 GLN 98 5.231 -18.583 -4.335 642 H ASN 99 H ASN 99 -0.064 -15.481 -3.239 643 HA ASN 99 HA ASN 99 -2.060 -17.416 -3.840 644 HB2 ASN 99 HB2 ASN 99 -1.625 -15.696 -1.367 645 HB3 ASN 99 HB3 ASN 99 -2.833 -16.975 -1.456 646 HD21 ASN 99 HD21 ASN 99 -0.545 -16.740 0.337 647 HD22 ASN 99 HD22 ASN 99 0.408 -18.161 0.091 648 H ARG 100 H ARG 100 -2.114 -13.922 -3.369 649 HA ARG 100 HA ARG 100 -4.989 -13.711 -3.879 650 HB2 ARG 100 HB2 ARG 100 -2.832 -11.675 -3.168 651 HB3 ARG 100 HB3 ARG 100 -4.401 -11.146 -3.766 652 HG2 ARG 100 HG2 ARG 100 -4.329 -11.046 -1.316 653 HG3 ARG 100 HG3 ARG 100 -5.517 -12.238 -1.851 654 HD2 ARG 100 HD2 ARG 100 -3.781 -14.026 -1.465 655 HD3 ARG 100 HD3 ARG 100 -2.738 -12.783 -0.769 656 HE ARG 100 HE ARG 100 -4.713 -12.434 0.826 657 HH11 ARG 100 HH11 ARG 100 -3.984 -15.583 -0.536 658 HH12 ARG 100 HH12 ARG 100 -4.408 -16.438 0.908 659 HH21 ARG 100 HH21 ARG 100 -5.260 -13.564 2.716 660 HH22 ARG 100 HH22 ARG 100 -5.149 -15.295 2.748 661 HA PRO 101 HA PRO 101 -4.318 -13.578 -8.297 662 HB2 PRO 101 HB2 PRO 101 -6.684 -12.465 -9.149 663 HB3 PRO 101 HB3 PRO 101 -6.559 -14.121 -8.546 664 HG2 PRO 101 HG2 PRO 101 -7.482 -11.638 -7.105 665 HG3 PRO 101 HG3 PRO 101 -8.181 -13.272 -7.080 666 HD2 PRO 101 HD2 PRO 101 -6.573 -12.326 -5.080 667 HD3 PRO 101 HD3 PRO 101 -6.634 -14.043 -5.524
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