NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25565 | 2k9z | 16006 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -3.802 11.953 -7.381 2 HA MET 1 HA MET 1 -3.590 14.058 -6.234 3 HB2 MET 1 HB2 MET 1 -6.502 14.198 -6.837 4 HB3 MET 1 HB3 MET 1 -5.963 14.887 -5.296 5 HG2 MET 1 HG2 MET 1 -5.917 16.539 -7.181 6 HG3 MET 1 HG3 MET 1 -4.384 16.328 -6.338 7 HE1 MET 1 HE1 MET 1 -2.978 17.521 -8.106 8 HE2 MET 1 HE2 MET 1 -3.038 17.193 -9.849 9 HE3 MET 1 HE3 MET 1 -4.448 17.892 -9.030 10 H GLU 2 H GLU 2 -6.521 12.163 -4.997 11 HA GLU 2 HA GLU 2 -5.008 11.447 -2.601 12 HB2 GLU 2 HB2 GLU 2 -7.575 10.290 -3.779 13 HB3 GLU 2 HB3 GLU 2 -6.863 9.852 -2.234 14 HG2 GLU 2 HG2 GLU 2 -8.605 11.342 -1.722 15 HG3 GLU 2 HG3 GLU 2 -7.099 12.214 -1.452 16 H VAL 3 H VAL 3 -4.666 9.103 -2.141 17 HA VAL 3 HA VAL 3 -3.397 7.259 -2.460 18 HB VAL 3 HB VAL 3 -5.453 7.075 -4.676 19 HG11 VAL 3 HG11 VAL 3 -3.873 4.874 -3.232 20 HG12 VAL 3 HG12 VAL 3 -5.298 4.574 -4.263 21 HG13 VAL 3 HG13 VAL 3 -3.849 5.270 -4.971 22 HG21 VAL 3 HG21 VAL 3 -6.788 5.808 -2.994 23 HG22 VAL 3 HG22 VAL 3 -5.580 6.237 -1.761 24 HG23 VAL 3 HG23 VAL 3 -6.550 7.499 -2.573 25 H LYS 4 H LYS 4 -1.324 8.229 -2.960 26 HA LYS 4 HA LYS 4 -0.689 8.632 -5.817 27 HB2 LYS 4 HB2 LYS 4 0.325 9.883 -3.618 28 HB3 LYS 4 HB3 LYS 4 1.426 8.527 -3.647 29 HG2 LYS 4 HG2 LYS 4 2.323 10.477 -4.797 30 HG3 LYS 4 HG3 LYS 4 2.157 9.132 -5.931 31 HD2 LYS 4 HD2 LYS 4 0.325 10.145 -7.035 32 HD3 LYS 4 HD3 LYS 4 -0.036 11.220 -5.676 33 HE2 LYS 4 HE2 LYS 4 2.520 11.447 -7.301 34 HE3 LYS 4 HE3 LYS 4 1.010 12.234 -7.785 35 HZ1 LYS 4 HZ1 LYS 4 0.988 13.390 -5.671 36 HZ2 LYS 4 HZ2 LYS 4 2.323 13.755 -6.531 37 HZ3 LYS 4 HZ3 LYS 4 2.462 12.751 -5.256 38 H ILE 5 H ILE 5 -0.188 6.883 -7.036 39 HA ILE 5 HA ILE 5 1.171 4.553 -5.811 40 HB ILE 5 HB ILE 5 -1.165 4.404 -7.773 41 HG12 ILE 5 HG12 ILE 5 -0.939 3.050 -5.062 42 HG13 ILE 5 HG13 ILE 5 -1.691 4.630 -5.255 43 HG21 ILE 5 HG21 ILE 5 -0.757 1.909 -7.693 44 HG22 ILE 5 HG22 ILE 5 0.584 2.770 -8.407 45 HG23 ILE 5 HG23 ILE 5 0.699 2.207 -6.737 46 HD11 ILE 5 HD11 ILE 5 -3.339 3.668 -6.820 47 HD12 ILE 5 HD12 ILE 5 -2.644 2.048 -6.568 48 HD13 ILE 5 HD13 ILE 5 -3.380 2.921 -5.221 49 H GLU 6 H GLU 6 2.993 4.076 -7.024 50 HA GLU 6 HA GLU 6 2.986 4.438 -9.850 51 HB2 GLU 6 HB2 GLU 6 5.033 5.862 -9.906 52 HB3 GLU 6 HB3 GLU 6 3.486 6.668 -9.579 53 HG2 GLU 6 HG2 GLU 6 4.055 6.786 -7.169 54 HG3 GLU 6 HG3 GLU 6 5.529 5.862 -7.527 55 H LYS 7 H LYS 7 5.311 3.961 -10.686 56 HA LYS 7 HA LYS 7 6.246 1.590 -9.175 57 HB2 LYS 7 HB2 LYS 7 6.285 2.137 -12.140 58 HB3 LYS 7 HB3 LYS 7 7.012 0.748 -11.343 59 HG2 LYS 7 HG2 LYS 7 5.042 0.008 -12.305 60 HG3 LYS 7 HG3 LYS 7 4.714 0.072 -10.576 61 HD2 LYS 7 HD2 LYS 7 3.029 1.520 -10.871 62 HD3 LYS 7 HD3 LYS 7 3.927 2.582 -11.934 63 HE2 LYS 7 HE2 LYS 7 2.994 -0.060 -13.019 64 HE3 LYS 7 HE3 LYS 7 1.808 1.228 -12.834 65 HZ1 LYS 7 HZ1 LYS 7 4.312 1.878 -14.205 66 HZ2 LYS 7 HZ2 LYS 7 2.813 2.475 -14.448 67 HZ3 LYS 7 HZ3 LYS 7 3.185 0.995 -15.011 68 HA PRO 8 HA PRO 8 9.572 4.776 -9.106 69 HB2 PRO 8 HB2 PRO 8 10.754 4.000 -6.709 70 HB3 PRO 8 HB3 PRO 8 9.318 5.062 -6.823 71 HG2 PRO 8 HG2 PRO 8 9.375 2.072 -6.306 72 HG3 PRO 8 HG3 PRO 8 8.477 3.352 -5.479 73 HD2 PRO 8 HD2 PRO 8 7.366 1.793 -7.413 74 HD3 PRO 8 HD3 PRO 8 6.935 3.526 -7.261 75 H THR 9 H THR 9 11.944 4.649 -9.066 76 HA THR 9 HA THR 9 13.116 2.312 -10.218 77 HB THR 9 HB THR 9 14.160 4.364 -10.689 78 HG1 THR 9 HG1 THR 9 16.192 3.878 -10.189 79 HG21 THR 9 HG21 THR 9 13.498 5.736 -8.807 80 HG22 THR 9 HG22 THR 9 15.277 5.736 -8.918 81 HG23 THR 9 HG23 THR 9 14.469 4.750 -7.694 82 HA PRO 10 HA PRO 10 13.627 0.100 -6.352 83 HB2 PRO 10 HB2 PRO 10 15.599 -1.681 -7.022 84 HB3 PRO 10 HB3 PRO 10 13.919 -1.804 -7.629 85 HG2 PRO 10 HG2 PRO 10 16.339 -0.587 -9.009 86 HG3 PRO 10 HG3 PRO 10 15.163 -1.765 -9.680 87 HD2 PRO 10 HD2 PRO 10 14.936 0.894 -10.152 88 HD3 PRO 10 HD3 PRO 10 13.485 -0.112 -9.879 89 H GLU 11 H GLU 11 16.198 1.966 -7.862 90 HA GLU 11 HA GLU 11 18.230 1.534 -5.923 91 HB2 GLU 11 HB2 GLU 11 17.653 3.893 -7.783 92 HB3 GLU 11 HB3 GLU 11 19.096 3.771 -6.758 93 HG2 GLU 11 HG2 GLU 11 19.719 1.657 -7.822 94 HG3 GLU 11 HG3 GLU 11 18.318 1.770 -8.909 95 H LYS 12 H LYS 12 15.850 4.193 -6.217 96 HA LYS 12 HA LYS 12 16.575 5.512 -3.827 97 HB2 LYS 12 HB2 LYS 12 15.223 6.434 -5.690 98 HB3 LYS 12 HB3 LYS 12 13.856 5.433 -5.206 99 HG2 LYS 12 HG2 LYS 12 13.326 6.775 -3.412 100 HG3 LYS 12 HG3 LYS 12 15.004 7.232 -3.091 101 HD2 LYS 12 HD2 LYS 12 15.066 8.822 -4.835 102 HD3 LYS 12 HD3 LYS 12 13.583 8.223 -5.590 103 HE2 LYS 12 HE2 LYS 12 12.199 9.080 -3.835 104 HE3 LYS 12 HE3 LYS 12 13.592 9.435 -2.807 105 HZ1 LYS 12 HZ1 LYS 12 12.584 11.355 -4.068 106 HZ2 LYS 12 HZ2 LYS 12 13.295 10.762 -5.426 107 HZ3 LYS 12 HZ3 LYS 12 14.229 11.162 -4.149 108 H LEU 13 H LEU 13 14.400 2.753 -4.345 109 HA LEU 13 HA LEU 13 13.263 2.734 -1.700 110 HB2 LEU 13 HB2 LEU 13 13.774 0.473 -3.665 111 HB3 LEU 13 HB3 LEU 13 12.897 0.328 -2.163 112 HG LEU 13 HG LEU 13 12.089 2.060 -4.547 113 HD11 LEU 13 HD11 LEU 13 10.315 0.415 -4.871 114 HD12 LEU 13 HD12 LEU 13 10.851 -0.510 -3.447 115 HD13 LEU 13 HD13 LEU 13 11.879 -0.393 -4.893 116 HD21 LEU 13 HD21 LEU 13 10.567 1.534 -1.953 117 HD22 LEU 13 HD22 LEU 13 9.904 2.325 -3.397 118 HD23 LEU 13 HD23 LEU 13 11.213 3.100 -2.508 119 H LYS 14 H LYS 14 16.483 1.787 -2.867 120 HA LYS 14 HA LYS 14 17.139 0.241 -0.487 121 HB2 LYS 14 HB2 LYS 14 19.067 1.771 -2.258 122 HB3 LYS 14 HB3 LYS 14 19.425 0.487 -1.132 123 HG2 LYS 14 HG2 LYS 14 17.883 0.239 -3.731 124 HG3 LYS 14 HG3 LYS 14 19.476 -0.370 -3.378 125 HD2 LYS 14 HD2 LYS 14 16.871 -1.358 -2.139 126 HD3 LYS 14 HD3 LYS 14 17.842 -2.171 -3.362 127 HE2 LYS 14 HE2 LYS 14 19.758 -2.259 -1.748 128 HE3 LYS 14 HE3 LYS 14 18.719 -1.559 -0.506 129 HZ1 LYS 14 HZ1 LYS 14 18.794 -3.931 -0.324 130 HZ2 LYS 14 HZ2 LYS 14 18.256 -4.132 -1.889 131 HZ3 LYS 14 HZ3 LYS 14 17.275 -3.472 -0.741 132 H GLU 15 H GLU 15 17.412 3.567 -1.603 133 HA GLU 15 HA GLU 15 19.040 4.498 0.586 134 HB2 GLU 15 HB2 GLU 15 17.358 6.134 -1.365 135 HB3 GLU 15 HB3 GLU 15 18.637 6.746 -0.302 136 HG2 GLU 15 HG2 GLU 15 20.142 4.961 -1.431 137 HG3 GLU 15 HG3 GLU 15 18.901 4.877 -2.681 138 H LEU 16 H LEU 16 15.597 4.609 -0.078 139 HA LEU 16 HA LEU 16 14.649 5.989 2.193 140 HB2 LEU 16 HB2 LEU 16 13.630 3.910 0.272 141 HB3 LEU 16 HB3 LEU 16 12.680 4.182 1.707 142 HG LEU 16 HG LEU 16 11.933 6.223 1.103 143 HD11 LEU 16 HD11 LEU 16 14.385 6.682 -0.649 144 HD12 LEU 16 HD12 LEU 16 13.937 7.510 0.864 145 HD13 LEU 16 HD13 LEU 16 12.949 7.738 -0.572 146 HD21 LEU 16 HD21 LEU 16 11.288 6.153 -1.228 147 HD22 LEU 16 HD22 LEU 16 11.326 4.493 -0.594 148 HD23 LEU 16 HD23 LEU 16 12.643 5.082 -1.634 149 H SER 17 H SER 17 16.354 3.054 2.195 150 HA SER 17 HA SER 17 16.750 1.406 3.553 151 HB2 SER 17 HB2 SER 17 16.971 1.789 5.875 152 HB3 SER 17 HB3 SER 17 17.470 3.222 4.984 153 HG SER 17 HG SER 17 16.113 3.357 6.978 154 H VAL 18 H VAL 18 14.238 1.239 2.232 155 HA VAL 18 HA VAL 18 12.106 0.524 3.843 156 HB VAL 18 HB VAL 18 12.750 -0.621 1.101 157 HG11 VAL 18 HG11 VAL 18 10.924 -1.834 2.084 158 HG12 VAL 18 HG12 VAL 18 10.143 -0.319 2.580 159 HG13 VAL 18 HG13 VAL 18 10.287 -0.736 0.858 160 HG21 VAL 18 HG21 VAL 18 12.808 1.870 1.089 161 HG22 VAL 18 HG22 VAL 18 11.389 1.267 0.250 162 HG23 VAL 18 HG23 VAL 18 11.240 1.908 1.906 163 H GLU 19 H GLU 19 14.965 -1.514 3.133 164 HA GLU 19 HA GLU 19 13.788 -3.978 4.069 165 HB2 GLU 19 HB2 GLU 19 16.080 -4.691 4.542 166 HB3 GLU 19 HB3 GLU 19 15.942 -4.000 2.926 167 HG2 GLU 19 HG2 GLU 19 17.328 -2.272 3.348 168 HG3 GLU 19 HG3 GLU 19 16.760 -2.044 4.978 169 H LYS 20 H LYS 20 14.798 -1.105 5.806 170 HA LYS 20 HA LYS 20 14.909 -2.498 8.401 171 HB2 LYS 20 HB2 LYS 20 15.260 0.479 7.835 172 HB3 LYS 20 HB3 LYS 20 15.721 -0.404 9.269 173 HG2 LYS 20 HG2 LYS 20 17.258 -1.765 7.550 174 HG3 LYS 20 HG3 LYS 20 17.029 -0.300 6.582 175 HD2 LYS 20 HD2 LYS 20 17.781 1.008 8.650 176 HD3 LYS 20 HD3 LYS 20 18.237 -0.529 9.382 177 HE2 LYS 20 HE2 LYS 20 19.333 0.635 6.776 178 HE3 LYS 20 HE3 LYS 20 20.142 0.673 8.347 179 HZ1 LYS 20 HZ1 LYS 20 20.187 -1.745 8.316 180 HZ2 LYS 20 HZ2 LYS 20 20.978 -1.106 7.017 181 HZ3 LYS 20 HZ3 LYS 20 19.513 -1.783 6.806 182 H TRP 21 H TRP 21 12.499 -1.167 6.407 183 HA TRP 21 HA TRP 21 10.991 0.225 8.474 184 HB2 TRP 21 HB2 TRP 21 10.271 -0.737 5.685 185 HB3 TRP 21 HB3 TRP 21 9.200 0.147 6.718 186 HD1 TRP 21 HD1 TRP 21 12.702 1.525 6.952 187 HE1 TRP 21 HE1 TRP 21 13.002 3.526 5.514 188 HE3 TRP 21 HE3 TRP 21 8.232 1.390 4.437 189 HZ2 TRP 21 HZ2 TRP 21 11.472 5.057 3.564 190 HZ3 TRP 21 HZ3 TRP 21 7.718 3.116 2.717 191 HH2 TRP 21 HH2 TRP 21 9.412 4.964 2.228 192 HA PRO 22 HA PRO 22 8.974 -3.491 9.985 193 HB2 PRO 22 HB2 PRO 22 6.346 -2.770 10.334 194 HB3 PRO 22 HB3 PRO 22 7.684 -2.245 11.396 195 HG2 PRO 22 HG2 PRO 22 6.474 -0.705 9.091 196 HG3 PRO 22 HG3 PRO 22 6.790 -0.130 10.762 197 HD2 PRO 22 HD2 PRO 22 8.542 0.380 8.773 198 HD3 PRO 22 HD3 PRO 22 9.139 -0.087 10.385 199 H ILE 23 H ILE 23 8.220 -5.296 9.063 200 HA ILE 23 HA ILE 23 6.998 -5.338 6.404 201 HB ILE 23 HB ILE 23 7.891 -7.365 8.471 202 HG12 ILE 23 HG12 ILE 23 8.554 -6.810 5.556 203 HG13 ILE 23 HG13 ILE 23 9.573 -6.460 6.936 204 HG21 ILE 23 HG21 ILE 23 6.311 -8.257 6.042 205 HG22 ILE 23 HG22 ILE 23 7.078 -9.265 7.280 206 HG23 ILE 23 HG23 ILE 23 5.721 -8.274 7.719 207 HD11 ILE 23 HD11 ILE 23 9.706 -8.939 7.391 208 HD12 ILE 23 HD12 ILE 23 8.869 -9.211 5.845 209 HD13 ILE 23 HD13 ILE 23 10.437 -8.414 5.857 210 H TRP 24 H TRP 24 4.848 -5.951 6.017 211 HA TRP 24 HA TRP 24 3.233 -6.746 8.320 212 HB2 TRP 24 HB2 TRP 24 2.669 -4.381 7.933 213 HB3 TRP 24 HB3 TRP 24 2.334 -4.727 6.248 214 HD1 TRP 24 HD1 TRP 24 0.797 -4.747 9.662 215 HE1 TRP 24 HE1 TRP 24 -1.747 -5.003 9.413 216 HE3 TRP 24 HE3 TRP 24 0.605 -6.346 4.807 217 HZ2 TRP 24 HZ2 TRP 24 -3.619 -5.425 7.277 218 HZ3 TRP 24 HZ3 TRP 24 -1.572 -6.403 3.623 219 HH2 TRP 24 HH2 TRP 24 -3.669 -5.898 4.809 220 H GLU 25 H GLU 25 1.777 -8.387 7.716 221 HA GLU 25 HA GLU 25 1.582 -9.317 4.956 222 HB2 GLU 25 HB2 GLU 25 1.640 -11.686 6.242 223 HB3 GLU 25 HB3 GLU 25 3.063 -10.954 5.522 224 HG2 GLU 25 HG2 GLU 25 3.946 -10.221 7.571 225 HG3 GLU 25 HG3 GLU 25 2.413 -10.437 8.400 226 H LYS 26 H LYS 26 -0.463 -10.603 4.649 227 HA LYS 26 HA LYS 26 -2.310 -10.785 6.878 228 HB2 LYS 26 HB2 LYS 26 -2.460 -8.383 5.881 229 HB3 LYS 26 HB3 LYS 26 -3.168 -9.186 4.463 230 HG2 LYS 26 HG2 LYS 26 -4.764 -8.059 5.883 231 HG3 LYS 26 HG3 LYS 26 -5.143 -9.786 5.680 232 HD2 LYS 26 HD2 LYS 26 -4.265 -10.230 7.874 233 HD3 LYS 26 HD3 LYS 26 -3.719 -8.555 8.056 234 HE2 LYS 26 HE2 LYS 26 -5.510 -8.816 9.470 235 HE3 LYS 26 HE3 LYS 26 -6.215 -7.942 8.124 236 HZ1 LYS 26 HZ1 LYS 26 -7.450 -9.893 9.125 237 HZ2 LYS 26 HZ2 LYS 26 -6.385 -10.901 8.454 238 HZ3 LYS 26 HZ3 LYS 26 -7.378 -9.960 7.506 239 H GLU 27 H GLU 27 -4.206 -11.973 6.281 240 HA GLU 27 HA GLU 27 -3.984 -13.989 4.355 241 HB2 GLU 27 HB2 GLU 27 -5.122 -13.649 6.643 242 HB3 GLU 27 HB3 GLU 27 -6.522 -13.084 5.752 243 HG2 GLU 27 HG2 GLU 27 -6.598 -15.315 4.667 244 HG3 GLU 27 HG3 GLU 27 -5.142 -15.816 5.542 245 H VAL 28 H VAL 28 -5.756 -14.516 3.170 246 HA VAL 28 HA VAL 28 -6.211 -12.736 0.902 247 HB VAL 28 HB VAL 28 -5.352 -15.033 0.785 248 HG11 VAL 28 HG11 VAL 28 -8.167 -16.065 1.275 249 HG12 VAL 28 HG12 VAL 28 -6.698 -17.001 0.966 250 HG13 VAL 28 HG13 VAL 28 -6.872 -16.117 2.480 251 HG21 VAL 28 HG21 VAL 28 -6.343 -15.640 -1.244 252 HG22 VAL 28 HG22 VAL 28 -7.871 -14.827 -0.841 253 HG23 VAL 28 HG23 VAL 28 -6.417 -13.865 -1.152 254 H SER 29 H SER 29 -7.592 -11.769 3.025 255 HA SER 29 HA SER 29 -10.446 -12.582 2.780 256 HB2 SER 29 HB2 SER 29 -8.961 -12.558 4.938 257 HB3 SER 29 HB3 SER 29 -9.223 -10.799 4.894 258 HG SER 29 HG SER 29 -10.902 -12.913 5.491 259 H GLU 30 H GLU 30 -11.670 -10.179 3.666 260 HA GLU 30 HA GLU 30 -10.345 -7.981 2.379 261 HB2 GLU 30 HB2 GLU 30 -12.120 -7.124 1.043 262 HB3 GLU 30 HB3 GLU 30 -11.747 -8.771 0.523 263 HG2 GLU 30 HG2 GLU 30 -13.766 -9.539 1.816 264 HG3 GLU 30 HG3 GLU 30 -14.176 -7.830 2.075 265 H PHE 31 H PHE 31 -10.860 -6.009 3.339 266 HA PHE 31 HA PHE 31 -12.902 -5.820 5.357 267 HB2 PHE 31 HB2 PHE 31 -11.328 -5.131 7.182 268 HB3 PHE 31 HB3 PHE 31 -11.320 -6.823 6.805 269 HD1 PHE 31 HD1 PHE 31 -9.421 -3.634 6.184 270 HD2 PHE 31 HD2 PHE 31 -9.267 -7.939 6.410 271 HE1 PHE 31 HE1 PHE 31 -6.979 -3.544 5.890 272 HE2 PHE 31 HE2 PHE 31 -6.791 -7.869 6.244 273 HZ PHE 31 HZ PHE 31 -5.645 -5.656 5.910 274 H ASP 32 H ASP 32 -12.398 -3.464 6.470 275 HA ASP 32 HA ASP 32 -11.775 -1.606 4.218 276 HB2 ASP 32 HB2 ASP 32 -13.539 -0.181 4.904 277 HB3 ASP 32 HB3 ASP 32 -14.174 -1.774 4.545 278 H TRP 33 H TRP 33 -10.153 -0.305 4.686 279 HA TRP 33 HA TRP 33 -9.493 0.154 7.575 280 HB2 TRP 33 HB2 TRP 33 -7.909 -1.055 6.011 281 HB3 TRP 33 HB3 TRP 33 -7.649 0.456 5.191 282 HD1 TRP 33 HD1 TRP 33 -6.108 2.207 6.416 283 HE1 TRP 33 HE1 TRP 33 -4.651 2.160 8.551 284 HE3 TRP 33 HE3 TRP 33 -7.918 -2.073 8.549 285 HZ2 TRP 33 HZ2 TRP 33 -4.269 0.440 10.820 286 HZ3 TRP 33 HZ3 TRP 33 -7.036 -2.864 10.734 287 HH2 TRP 33 HH2 TRP 33 -5.200 -1.610 11.874 288 H TYR 34 H TYR 34 -8.499 2.123 8.246 289 HA TYR 34 HA TYR 34 -9.287 4.593 6.800 290 HB2 TYR 34 HB2 TYR 34 -10.816 3.959 8.714 291 HB3 TYR 34 HB3 TYR 34 -9.442 4.147 9.795 292 HD1 TYR 34 HD1 TYR 34 -8.129 6.547 9.427 293 HD2 TYR 34 HD2 TYR 34 -12.303 5.746 8.654 294 HE1 TYR 34 HE1 TYR 34 -8.604 8.920 9.637 295 HE2 TYR 34 HE2 TYR 34 -12.832 8.117 9.092 296 HH TYR 34 HH TYR 34 -11.967 10.196 9.707 297 H TYR 35 H TYR 35 -7.422 5.517 6.214 298 HA TYR 35 HA TYR 35 -4.965 5.366 7.841 299 HB2 TYR 35 HB2 TYR 35 -5.560 6.676 5.145 300 HB3 TYR 35 HB3 TYR 35 -3.986 6.630 5.941 301 HD1 TYR 35 HD1 TYR 35 -3.618 3.933 6.888 302 HD2 TYR 35 HD2 TYR 35 -5.591 5.210 3.270 303 HE1 TYR 35 HE1 TYR 35 -3.258 1.741 5.927 304 HE2 TYR 35 HE2 TYR 35 -5.190 2.979 2.278 305 HH TYR 35 HH TYR 35 -3.837 0.309 4.216 306 H ASP 36 H ASP 36 -4.516 6.971 9.225 307 HA ASP 36 HA ASP 36 -6.246 9.398 9.267 308 HB2 ASP 36 HB2 ASP 36 -6.749 7.649 10.979 309 HB3 ASP 36 HB3 ASP 36 -5.083 7.745 11.539 310 H THR 37 H THR 37 -3.134 8.282 8.725 311 HA THR 37 HA THR 37 -1.917 10.896 8.759 312 HB THR 37 HB THR 37 0.113 9.387 9.894 313 HG1 THR 37 HG1 THR 37 -0.549 8.407 11.571 314 HG21 THR 37 HG21 THR 37 -1.864 11.404 11.021 315 HG22 THR 37 HG22 THR 37 -0.278 11.713 10.291 316 HG23 THR 37 HG23 THR 37 -0.380 10.912 11.870 317 H ASN 38 H ASN 38 0.520 10.371 7.822 318 HA ASN 38 HA ASN 38 -0.214 9.493 5.073 319 HB2 ASN 38 HB2 ASN 38 2.472 10.360 6.154 320 HB3 ASN 38 HB3 ASN 38 1.967 10.264 4.475 321 HD21 ASN 38 HD21 ASN 38 2.347 12.297 7.179 322 HD22 ASN 38 HD22 ASN 38 1.562 13.717 6.508 323 H GLU 39 H GLU 39 0.711 7.576 4.117 324 HA GLU 39 HA GLU 39 2.636 6.078 5.756 325 HB2 GLU 39 HB2 GLU 39 0.470 5.339 6.572 326 HB3 GLU 39 HB3 GLU 39 -0.028 4.855 4.938 327 HG2 GLU 39 HG2 GLU 39 1.822 3.198 4.901 328 HG3 GLU 39 HG3 GLU 39 2.353 3.722 6.498 329 H THR 40 H THR 40 4.202 5.490 4.432 330 HA THR 40 HA THR 40 3.670 5.209 1.533 331 HB THR 40 HB THR 40 6.228 5.686 3.139 332 HG1 THR 40 HG1 THR 40 6.117 7.620 1.777 333 HG21 THR 40 HG21 THR 40 6.650 4.253 1.105 334 HG22 THR 40 HG22 THR 40 7.376 5.859 0.984 335 HG23 THR 40 HG23 THR 40 5.869 5.503 0.112 336 H CYS 41 H CYS 41 3.609 3.171 0.730 337 HA CYS 41 HA CYS 41 4.764 0.937 2.260 338 HB2 CYS 41 HB2 CYS 41 2.435 -0.202 1.626 339 HB3 CYS 41 HB3 CYS 41 2.681 0.633 3.157 340 HG CYS 41 HG CYS 41 0.287 1.003 1.826 341 H TYR 42 H TYR 42 5.771 -0.447 0.994 342 HA TYR 42 HA TYR 42 5.438 -0.256 -1.963 343 HB2 TYR 42 HB2 TYR 42 7.695 0.333 -1.082 344 HB3 TYR 42 HB3 TYR 42 7.796 -1.165 -0.238 345 HD1 TYR 42 HD1 TYR 42 6.871 -0.067 -3.760 346 HD2 TYR 42 HD2 TYR 42 9.148 -2.779 -1.298 347 HE1 TYR 42 HE1 TYR 42 7.635 -1.232 -5.779 348 HE2 TYR 42 HE2 TYR 42 9.882 -4.002 -3.341 349 HH TYR 42 HH TYR 42 9.331 -4.344 -5.653 350 H ILE 43 H ILE 43 4.492 -1.998 -2.956 351 HA ILE 43 HA ILE 43 3.811 -4.379 -1.390 352 HB ILE 43 HB ILE 43 3.336 -3.680 -4.312 353 HG12 ILE 43 HG12 ILE 43 2.127 -2.056 -2.980 354 HG13 ILE 43 HG13 ILE 43 0.999 -3.164 -3.715 355 HG21 ILE 43 HG21 ILE 43 2.199 -5.906 -2.551 356 HG22 ILE 43 HG22 ILE 43 1.582 -5.457 -4.166 357 HG23 ILE 43 HG23 ILE 43 3.220 -6.085 -3.984 358 HD11 ILE 43 HD11 ILE 43 0.229 -2.876 -1.469 359 HD12 ILE 43 HD12 ILE 43 1.027 -4.439 -1.417 360 HD13 ILE 43 HD13 ILE 43 1.858 -2.975 -0.831 361 H LEU 44 H LEU 44 5.310 -5.961 -1.113 362 HA LEU 44 HA LEU 44 7.500 -6.235 -3.113 363 HB2 LEU 44 HB2 LEU 44 7.261 -7.420 -0.319 364 HB3 LEU 44 HB3 LEU 44 8.600 -7.623 -1.439 365 HG LEU 44 HG LEU 44 8.254 -4.855 -1.409 366 HD11 LEU 44 HD11 LEU 44 8.153 -4.167 0.881 367 HD12 LEU 44 HD12 LEU 44 8.021 -5.878 1.442 368 HD13 LEU 44 HD13 LEU 44 6.732 -5.137 0.498 369 HD21 LEU 44 HD21 LEU 44 10.375 -4.728 -0.247 370 HD22 LEU 44 HD22 LEU 44 10.397 -6.013 -1.466 371 HD23 LEU 44 HD23 LEU 44 10.239 -6.435 0.247 372 H GLU 45 H GLU 45 4.609 -7.962 -1.962 373 HA GLU 45 HA GLU 45 4.758 -9.664 -4.206 374 HB2 GLU 45 HB2 GLU 45 4.839 -11.862 -3.001 375 HB3 GLU 45 HB3 GLU 45 6.362 -11.012 -3.022 376 HG2 GLU 45 HG2 GLU 45 5.736 -10.160 -0.651 377 HG3 GLU 45 HG3 GLU 45 4.488 -11.413 -0.691 378 H GLY 46 H GLY 46 2.795 -10.606 -4.526 379 HA2 GLY 46 HA2 GLY 46 0.625 -11.507 -3.812 380 HA3 GLY 46 HA3 GLY 46 0.665 -10.453 -2.412 381 H LYS 47 H LYS 47 -1.713 -10.301 -3.416 382 HA LYS 47 HA LYS 47 -1.801 -7.981 -5.263 383 HB2 LYS 47 HB2 LYS 47 -2.420 -10.594 -6.088 384 HB3 LYS 47 HB3 LYS 47 -3.980 -9.894 -5.750 385 HG2 LYS 47 HG2 LYS 47 -1.868 -8.910 -7.689 386 HG3 LYS 47 HG3 LYS 47 -3.446 -9.600 -8.056 387 HD2 LYS 47 HD2 LYS 47 -3.023 -6.888 -6.796 388 HD3 LYS 47 HD3 LYS 47 -3.250 -7.178 -8.504 389 HE2 LYS 47 HE2 LYS 47 -5.325 -8.053 -6.464 390 HE3 LYS 47 HE3 LYS 47 -5.282 -6.397 -7.105 391 HZ1 LYS 47 HZ1 LYS 47 -5.778 -7.125 -9.243 392 HZ2 LYS 47 HZ2 LYS 47 -6.810 -7.925 -8.331 393 HZ3 LYS 47 HZ3 LYS 47 -5.512 -8.715 -8.938 394 H VAL 48 H VAL 48 -3.404 -6.551 -4.868 395 HA VAL 48 HA VAL 48 -5.570 -7.191 -2.967 396 HB VAL 48 HB VAL 48 -3.684 -4.794 -2.771 397 HG11 VAL 48 HG11 VAL 48 -5.983 -4.152 -2.128 398 HG12 VAL 48 HG12 VAL 48 -6.040 -5.505 -0.971 399 HG13 VAL 48 HG13 VAL 48 -4.904 -4.154 -0.755 400 HG21 VAL 48 HG21 VAL 48 -4.059 -7.128 -0.848 401 HG22 VAL 48 HG22 VAL 48 -2.613 -6.786 -1.809 402 HG23 VAL 48 HG23 VAL 48 -3.086 -5.675 -0.533 403 H GLU 49 H GLU 49 -7.469 -5.943 -3.483 404 HA GLU 49 HA GLU 49 -7.281 -3.805 -5.568 405 HB2 GLU 49 HB2 GLU 49 -9.342 -5.959 -5.187 406 HB3 GLU 49 HB3 GLU 49 -9.950 -4.322 -5.445 407 HG2 GLU 49 HG2 GLU 49 -8.619 -4.106 -7.501 408 HG3 GLU 49 HG3 GLU 49 -8.070 -5.784 -7.315 409 H VAL 50 H VAL 50 -6.902 -2.073 -4.127 410 HA VAL 50 HA VAL 50 -8.527 -1.733 -1.730 411 HB VAL 50 HB VAL 50 -6.799 0.253 -3.269 412 HG11 VAL 50 HG11 VAL 50 -6.610 1.564 -1.290 413 HG12 VAL 50 HG12 VAL 50 -8.310 1.408 -1.717 414 HG13 VAL 50 HG13 VAL 50 -7.636 0.453 -0.375 415 HG21 VAL 50 HG21 VAL 50 -5.341 -1.564 -2.574 416 HG22 VAL 50 HG22 VAL 50 -5.097 -0.268 -1.418 417 HG23 VAL 50 HG23 VAL 50 -6.119 -1.650 -0.984 418 H THR 51 H THR 51 -10.343 0.082 -1.749 419 HA THR 51 HA THR 51 -10.704 1.200 -4.404 420 HB THR 51 HB THR 51 -12.198 -1.041 -3.983 421 HG1 THR 51 HG1 THR 51 -12.498 1.312 -5.461 422 HG21 THR 51 HG21 THR 51 -13.592 -0.076 -2.162 423 HG22 THR 51 HG22 THR 51 -14.495 -0.604 -3.574 424 HG23 THR 51 HG23 THR 51 -14.193 1.121 -3.292 425 H THR 52 H THR 52 -11.514 3.347 -4.189 426 HA THR 52 HA THR 52 -11.713 4.229 -1.375 427 HB THR 52 HB THR 52 -11.618 6.450 -2.308 428 HG1 THR 52 HG1 THR 52 -11.674 6.899 -4.293 429 HG21 THR 52 HG21 THR 52 -9.502 5.346 -1.759 430 HG22 THR 52 HG22 THR 52 -9.310 6.437 -3.140 431 HG23 THR 52 HG23 THR 52 -9.396 4.680 -3.403 432 H GLU 53 H GLU 53 -13.459 6.045 -1.055 433 HA GLU 53 HA GLU 53 -15.952 4.753 -1.220 434 HB2 GLU 53 HB2 GLU 53 -15.093 6.528 0.450 435 HB3 GLU 53 HB3 GLU 53 -15.530 7.740 -0.753 436 HG2 GLU 53 HG2 GLU 53 -17.295 7.410 0.967 437 HG3 GLU 53 HG3 GLU 53 -17.862 7.055 -0.668 438 H ASP 54 H ASP 54 -14.434 7.001 -3.367 439 HA ASP 54 HA ASP 54 -16.606 7.674 -5.126 440 HB2 ASP 54 HB2 ASP 54 -13.585 7.516 -5.465 441 HB3 ASP 54 HB3 ASP 54 -14.641 7.997 -6.779 442 H GLY 55 H GLY 55 -15.331 4.628 -4.436 443 HA2 GLY 55 HA2 GLY 55 -15.727 2.596 -5.292 444 HA3 GLY 55 HA3 GLY 55 -16.692 3.331 -6.590 445 H LYS 56 H LYS 56 -13.630 4.734 -6.481 446 HA LYS 56 HA LYS 56 -12.686 3.578 -8.970 447 HB2 LYS 56 HB2 LYS 56 -11.185 5.168 -6.853 448 HB3 LYS 56 HB3 LYS 56 -10.630 4.881 -8.499 449 HG2 LYS 56 HG2 LYS 56 -13.274 6.262 -8.045 450 HG3 LYS 56 HG3 LYS 56 -11.780 7.140 -7.713 451 HD2 LYS 56 HD2 LYS 56 -11.060 6.779 -10.060 452 HD3 LYS 56 HD3 LYS 56 -12.606 5.956 -10.393 453 HE2 LYS 56 HE2 LYS 56 -13.785 8.026 -9.458 454 HE3 LYS 56 HE3 LYS 56 -12.211 8.817 -9.379 455 HZ1 LYS 56 HZ1 LYS 56 -13.690 8.001 -11.797 456 HZ2 LYS 56 HZ2 LYS 56 -12.100 8.474 -11.842 457 HZ3 LYS 56 HZ3 LYS 56 -13.248 9.512 -11.305 458 H LYS 57 H LYS 57 -11.423 1.728 -9.093 459 HA LYS 57 HA LYS 57 -10.646 0.382 -6.532 460 HB2 LYS 57 HB2 LYS 57 -10.834 -0.567 -9.407 461 HB3 LYS 57 HB3 LYS 57 -9.720 -1.329 -8.291 462 HG2 LYS 57 HG2 LYS 57 -11.463 -2.649 -7.959 463 HG3 LYS 57 HG3 LYS 57 -11.739 -1.543 -6.649 464 HD2 LYS 57 HD2 LYS 57 -13.546 -0.449 -7.804 465 HD3 LYS 57 HD3 LYS 57 -13.088 -1.147 -9.370 466 HE2 LYS 57 HE2 LYS 57 -14.082 -2.733 -6.962 467 HE3 LYS 57 HE3 LYS 57 -15.067 -2.290 -8.361 468 HZ1 LYS 57 HZ1 LYS 57 -13.642 -3.591 -9.762 469 HZ2 LYS 57 HZ2 LYS 57 -14.098 -4.576 -8.514 470 HZ3 LYS 57 HZ3 LYS 57 -12.612 -3.941 -8.538 471 H TYR 58 H TYR 58 -8.560 0.046 -6.003 472 HA TYR 58 HA TYR 58 -6.452 0.663 -7.945 473 HB2 TYR 58 HB2 TYR 58 -6.349 1.674 -5.056 474 HB3 TYR 58 HB3 TYR 58 -5.100 1.826 -6.282 475 HD1 TYR 58 HD1 TYR 58 -5.398 3.405 -8.211 476 HD2 TYR 58 HD2 TYR 58 -8.226 3.168 -4.976 477 HE1 TYR 58 HE1 TYR 58 -6.306 5.598 -8.877 478 HE2 TYR 58 HE2 TYR 58 -9.188 5.394 -5.671 479 HH TYR 58 HH TYR 58 -7.519 7.478 -7.862 480 H VAL 59 H VAL 59 -6.424 -1.258 -8.309 481 HA VAL 59 HA VAL 59 -5.296 -3.243 -6.544 482 HB VAL 59 HB VAL 59 -6.478 -4.074 -8.258 483 HG11 VAL 59 HG11 VAL 59 -6.970 -2.462 -9.737 484 HG12 VAL 59 HG12 VAL 59 -5.272 -2.030 -10.030 485 HG13 VAL 59 HG13 VAL 59 -5.959 -3.540 -10.709 486 HG21 VAL 59 HG21 VAL 59 -4.808 -5.363 -9.567 487 HG22 VAL 59 HG22 VAL 59 -3.627 -4.070 -9.391 488 HG23 VAL 59 HG23 VAL 59 -4.084 -5.005 -7.977 489 H ILE 60 H ILE 60 -3.232 -3.665 -6.345 490 HA ILE 60 HA ILE 60 -1.117 -2.042 -7.546 491 HB ILE 60 HB ILE 60 -0.092 -2.030 -5.200 492 HG12 ILE 60 HG12 ILE 60 -2.998 -2.552 -4.338 493 HG13 ILE 60 HG13 ILE 60 -1.562 -3.502 -3.939 494 HG21 ILE 60 HG21 ILE 60 -0.987 0.086 -4.696 495 HG22 ILE 60 HG22 ILE 60 -0.926 -0.086 -6.443 496 HG23 ILE 60 HG23 ILE 60 -2.497 -0.242 -5.608 497 HD11 ILE 60 HD11 ILE 60 -2.117 -2.261 -2.005 498 HD12 ILE 60 HD12 ILE 60 -0.732 -1.386 -2.715 499 HD13 ILE 60 HD13 ILE 60 -2.386 -0.766 -2.914 500 H GLU 61 H GLU 61 0.525 -3.403 -8.128 501 HA GLU 61 HA GLU 61 0.320 -6.246 -7.273 502 HB2 GLU 61 HB2 GLU 61 1.777 -5.451 -9.773 503 HB3 GLU 61 HB3 GLU 61 1.024 -6.960 -9.322 504 HG2 GLU 61 HG2 GLU 61 -0.238 -6.152 -11.055 505 HG3 GLU 61 HG3 GLU 61 -1.247 -5.849 -9.627 506 H LYS 62 H LYS 62 2.672 -7.183 -7.930 507 HA LYS 62 HA LYS 62 4.491 -6.130 -5.898 508 HB2 LYS 62 HB2 LYS 62 4.353 -8.513 -6.321 509 HB3 LYS 62 HB3 LYS 62 4.756 -8.288 -8.031 510 HG2 LYS 62 HG2 LYS 62 7.013 -7.493 -7.399 511 HG3 LYS 62 HG3 LYS 62 6.580 -7.616 -5.688 512 HD2 LYS 62 HD2 LYS 62 6.207 -10.111 -6.044 513 HD3 LYS 62 HD3 LYS 62 6.768 -9.889 -7.707 514 HE2 LYS 62 HE2 LYS 62 8.865 -8.765 -6.590 515 HE3 LYS 62 HE3 LYS 62 8.238 -9.516 -5.114 516 HZ1 LYS 62 HZ1 LYS 62 9.886 -10.852 -6.037 517 HZ2 LYS 62 HZ2 LYS 62 9.162 -11.011 -7.497 518 HZ3 LYS 62 HZ3 LYS 62 8.522 -11.684 -6.122 519 H GLY 63 H GLY 63 5.418 -4.199 -6.253 520 HA2 GLY 63 HA2 GLY 63 7.316 -3.228 -7.627 521 HA3 GLY 63 HA3 GLY 63 6.269 -3.458 -9.017 522 H ASP 64 H ASP 64 3.892 -2.681 -6.925 523 HA ASP 64 HA ASP 64 4.073 0.173 -7.645 524 HB2 ASP 64 HB2 ASP 64 1.876 -1.607 -6.556 525 HB3 ASP 64 HB3 ASP 64 1.783 0.144 -6.395 526 H LEU 65 H LEU 65 4.873 1.617 -6.351 527 HA LEU 65 HA LEU 65 4.969 1.239 -3.423 528 HB2 LEU 65 HB2 LEU 65 6.992 2.166 -4.379 529 HB3 LEU 65 HB3 LEU 65 6.072 3.312 -5.338 530 HG LEU 65 HG LEU 65 5.265 4.339 -3.103 531 HD11 LEU 65 HD11 LEU 65 5.897 2.356 -1.702 532 HD12 LEU 65 HD12 LEU 65 6.637 3.827 -1.140 533 HD13 LEU 65 HD13 LEU 65 7.604 2.656 -2.065 534 HD21 LEU 65 HD21 LEU 65 8.221 4.534 -3.654 535 HD22 LEU 65 HD22 LEU 65 7.114 5.764 -2.965 536 HD23 LEU 65 HD23 LEU 65 6.958 5.280 -4.649 537 H VAL 66 H VAL 66 3.638 2.522 -2.150 538 HA VAL 66 HA VAL 66 1.706 4.300 -3.485 539 HB VAL 66 HB VAL 66 1.058 2.371 -1.211 540 HG11 VAL 66 HG11 VAL 66 -0.516 4.164 -1.303 541 HG12 VAL 66 HG12 VAL 66 -0.662 4.054 -3.060 542 HG13 VAL 66 HG13 VAL 66 -1.311 2.771 -2.035 543 HG21 VAL 66 HG21 VAL 66 -0.149 0.941 -2.841 544 HG22 VAL 66 HG22 VAL 66 0.647 1.828 -4.173 545 HG23 VAL 66 HG23 VAL 66 1.601 0.875 -3.046 546 H THR 67 H THR 67 1.082 6.040 -2.258 547 HA THR 67 HA THR 67 1.911 6.122 0.540 548 HB THR 67 HB THR 67 2.237 8.470 -1.332 549 HG1 THR 67 HG1 THR 67 4.207 7.236 0.291 550 HG21 THR 67 HG21 THR 67 3.095 9.655 0.735 551 HG22 THR 67 HG22 THR 67 2.624 8.248 1.717 552 HG23 THR 67 HG23 THR 67 1.388 9.206 0.912 553 H PHE 68 H PHE 68 0.031 6.029 1.524 554 HA PHE 68 HA PHE 68 -2.401 7.285 0.391 555 HB2 PHE 68 HB2 PHE 68 -1.913 5.713 2.952 556 HB3 PHE 68 HB3 PHE 68 -3.454 6.418 2.479 557 HD1 PHE 68 HD1 PHE 68 -4.583 5.653 0.335 558 HD2 PHE 68 HD2 PHE 68 -1.167 3.612 1.982 559 HE1 PHE 68 HE1 PHE 68 -5.106 3.647 -1.060 560 HE2 PHE 68 HE2 PHE 68 -1.676 1.641 0.574 561 HZ PHE 68 HZ PHE 68 -3.648 1.650 -0.939 562 HA PRO 69 HA PRO 69 -1.291 10.872 2.830 563 HB2 PRO 69 HB2 PRO 69 -3.414 12.474 2.514 564 HB3 PRO 69 HB3 PRO 69 -2.546 11.895 1.056 565 HG2 PRO 69 HG2 PRO 69 -5.026 10.662 2.348 566 HG3 PRO 69 HG3 PRO 69 -4.808 11.226 0.668 567 HD2 PRO 69 HD2 PRO 69 -4.370 8.592 1.442 568 HD3 PRO 69 HD3 PRO 69 -3.415 9.367 0.133 569 H LYS 70 H LYS 70 -2.394 12.323 4.396 570 HA LYS 70 HA LYS 70 -3.204 10.848 6.790 571 HB2 LYS 70 HB2 LYS 70 -1.532 12.605 6.918 572 HB3 LYS 70 HB3 LYS 70 -2.633 13.804 6.231 573 HG2 LYS 70 HG2 LYS 70 -3.990 13.837 8.208 574 HG3 LYS 70 HG3 LYS 70 -3.293 12.344 8.803 575 HD2 LYS 70 HD2 LYS 70 -1.059 13.469 9.012 576 HD3 LYS 70 HD3 LYS 70 -1.849 14.998 8.592 577 HE2 LYS 70 HE2 LYS 70 -3.373 14.763 10.509 578 HE3 LYS 70 HE3 LYS 70 -2.749 13.151 10.841 579 HZ1 LYS 70 HZ1 LYS 70 -1.530 15.720 11.423 580 HZ2 LYS 70 HZ2 LYS 70 -0.523 14.420 11.130 581 HZ3 LYS 70 HZ3 LYS 70 -1.648 14.363 12.328 582 H GLY 71 H GLY 71 -5.201 10.005 6.259 583 HA2 GLY 71 HA2 GLY 71 -7.432 10.321 7.086 584 HA3 GLY 71 HA3 GLY 71 -7.466 11.938 6.446 585 H LEU 72 H LEU 72 -7.633 8.501 5.649 586 HA LEU 72 HA LEU 72 -9.384 9.102 3.450 587 HB2 LEU 72 HB2 LEU 72 -7.114 9.176 2.325 588 HB3 LEU 72 HB3 LEU 72 -6.849 7.516 2.860 589 HG LEU 72 HG LEU 72 -8.884 6.813 1.522 590 HD11 LEU 72 HD11 LEU 72 -9.652 8.402 -0.260 591 HD12 LEU 72 HD12 LEU 72 -8.741 9.704 0.522 592 HD13 LEU 72 HD13 LEU 72 -10.103 8.935 1.356 593 HD21 LEU 72 HD21 LEU 72 -6.690 8.223 -0.027 594 HD22 LEU 72 HD22 LEU 72 -7.778 6.940 -0.616 595 HD23 LEU 72 HD23 LEU 72 -6.618 6.577 0.663 596 H ARG 73 H ARG 73 -10.905 7.374 3.215 597 HA ARG 73 HA ARG 73 -10.516 4.993 4.924 598 HB2 ARG 73 HB2 ARG 73 -13.227 6.181 4.334 599 HB3 ARG 73 HB3 ARG 73 -12.639 5.272 5.677 600 HG2 ARG 73 HG2 ARG 73 -12.936 7.252 6.709 601 HG3 ARG 73 HG3 ARG 73 -11.236 7.421 6.251 602 HD2 ARG 73 HD2 ARG 73 -12.222 9.444 5.563 603 HD3 ARG 73 HD3 ARG 73 -12.207 8.479 4.074 604 HE ARG 73 HE ARG 73 -14.593 7.841 5.138 605 HH11 ARG 73 HH11 ARG 73 -13.191 11.093 4.521 606 HH12 ARG 73 HH12 ARG 73 -14.704 11.886 4.650 607 HH21 ARG 73 HH21 ARG 73 -16.565 8.853 5.074 608 HH22 ARG 73 HH22 ARG 73 -16.696 10.566 4.775 609 H CYS 74 H CYS 74 -10.398 3.121 3.548 610 HA CYS 74 HA CYS 74 -12.002 3.102 1.075 611 HB2 CYS 74 HB2 CYS 74 -9.993 2.338 -0.196 612 HB3 CYS 74 HB3 CYS 74 -10.026 4.054 0.224 613 HG CYS 74 HG CYS 74 -7.578 3.256 0.327 614 H ARG 75 H ARG 75 -11.807 0.768 0.037 615 HA ARG 75 HA ARG 75 -11.908 -1.203 2.260 616 HB2 ARG 75 HB2 ARG 75 -12.890 -0.929 -0.509 617 HB3 ARG 75 HB3 ARG 75 -12.378 -2.539 -0.112 618 HG2 ARG 75 HG2 ARG 75 -14.718 -2.393 0.324 619 HG3 ARG 75 HG3 ARG 75 -13.848 -2.632 1.825 620 HD2 ARG 75 HD2 ARG 75 -15.624 -0.981 2.145 621 HD3 ARG 75 HD3 ARG 75 -14.010 -0.307 2.386 622 HE ARG 75 HE ARG 75 -14.520 1.287 0.888 623 HH11 ARG 75 HH11 ARG 75 -16.702 -1.351 0.128 624 HH12 ARG 75 HH12 ARG 75 -17.291 -0.688 -1.348 625 HH21 ARG 75 HH21 ARG 75 -15.388 2.339 -0.782 626 HH22 ARG 75 HH22 ARG 75 -16.631 1.696 -1.800 627 H TRP 76 H TRP 76 -10.751 -3.265 1.937 628 HA TRP 76 HA TRP 76 -8.486 -3.116 0.137 629 HB2 TRP 76 HB2 TRP 76 -8.105 -3.926 3.018 630 HB3 TRP 76 HB3 TRP 76 -7.170 -4.591 1.740 631 HD1 TRP 76 HD1 TRP 76 -8.014 -0.786 2.058 632 HE1 TRP 76 HE1 TRP 76 -5.883 0.458 1.548 633 HE3 TRP 76 HE3 TRP 76 -4.718 -4.718 2.121 634 HZ2 TRP 76 HZ2 TRP 76 -3.187 -0.205 0.712 635 HZ3 TRP 76 HZ3 TRP 76 -2.361 -4.370 1.463 636 HH2 TRP 76 HH2 TRP 76 -1.592 -2.127 0.686 637 H LYS 77 H LYS 77 -9.076 -4.825 -1.303 638 HA LYS 77 HA LYS 77 -10.277 -7.291 -0.143 639 HB2 LYS 77 HB2 LYS 77 -11.518 -6.031 -1.906 640 HB3 LYS 77 HB3 LYS 77 -10.186 -6.321 -3.024 641 HG2 LYS 77 HG2 LYS 77 -10.597 -8.763 -2.844 642 HG3 LYS 77 HG3 LYS 77 -11.910 -8.474 -1.718 643 HD2 LYS 77 HD2 LYS 77 -12.937 -6.919 -3.543 644 HD3 LYS 77 HD3 LYS 77 -11.759 -7.641 -4.629 645 HE2 LYS 77 HE2 LYS 77 -13.498 -9.071 -5.022 646 HE3 LYS 77 HE3 LYS 77 -12.765 -9.924 -3.653 647 HZ1 LYS 77 HZ1 LYS 77 -14.407 -8.629 -2.238 648 HZ2 LYS 77 HZ2 LYS 77 -15.041 -9.770 -3.195 649 HZ3 LYS 77 HZ3 LYS 77 -15.171 -8.203 -3.654 650 H VAL 78 H VAL 78 -8.653 -8.716 0.423 651 HA VAL 78 HA VAL 78 -6.039 -8.460 -0.868 652 HB VAL 78 HB VAL 78 -6.739 -10.431 1.308 653 HG11 VAL 78 HG11 VAL 78 -4.339 -9.810 1.979 654 HG12 VAL 78 HG12 VAL 78 -4.616 -10.747 0.533 655 HG13 VAL 78 HG13 VAL 78 -4.228 -9.023 0.386 656 HG21 VAL 78 HG21 VAL 78 -6.255 -7.440 1.737 657 HG22 VAL 78 HG22 VAL 78 -7.637 -8.386 2.290 658 HG23 VAL 78 HG23 VAL 78 -6.079 -8.681 3.024 659 H LEU 79 H LEU 79 -6.065 -9.440 -2.826 660 HA LEU 79 HA LEU 79 -7.926 -11.726 -3.252 661 HB2 LEU 79 HB2 LEU 79 -6.200 -10.194 -5.219 662 HB3 LEU 79 HB3 LEU 79 -7.374 -11.432 -5.627 663 HG LEU 79 HG LEU 79 -8.274 -8.957 -4.092 664 HD11 LEU 79 HD11 LEU 79 -9.133 -8.127 -6.232 665 HD12 LEU 79 HD12 LEU 79 -8.212 -9.402 -7.068 666 HD13 LEU 79 HD13 LEU 79 -7.381 -8.130 -6.125 667 HD21 LEU 79 HD21 LEU 79 -10.494 -9.644 -4.916 668 HD22 LEU 79 HD22 LEU 79 -9.787 -10.902 -3.945 669 HD23 LEU 79 HD23 LEU 79 -9.777 -11.069 -5.712 670 H GLU 80 H GLU 80 -4.616 -11.136 -2.536 671 HA GLU 80 HA GLU 80 -4.328 -13.941 -2.176 672 HB2 GLU 80 HB2 GLU 80 -2.604 -12.344 -4.130 673 HB3 GLU 80 HB3 GLU 80 -1.806 -13.555 -3.143 674 HG2 GLU 80 HG2 GLU 80 -4.117 -14.163 -5.021 675 HG3 GLU 80 HG3 GLU 80 -2.450 -14.330 -5.410 676 HA PRO 81 HA PRO 81 -2.518 -12.137 1.401 677 HB2 PRO 81 HB2 PRO 81 -0.416 -13.807 2.070 678 HB3 PRO 81 HB3 PRO 81 -2.138 -14.201 2.357 679 HG2 PRO 81 HG2 PRO 81 -0.378 -15.075 0.061 680 HG3 PRO 81 HG3 PRO 81 -1.522 -16.064 1.022 681 HD2 PRO 81 HD2 PRO 81 -2.162 -15.046 -1.420 682 HD3 PRO 81 HD3 PRO 81 -3.381 -15.186 -0.129 683 H VAL 82 H VAL 82 -0.940 -10.589 1.816 684 HA VAL 82 HA VAL 82 0.942 -10.069 -0.417 685 HB VAL 82 HB VAL 82 -1.318 -8.817 -0.482 686 HG11 VAL 82 HG11 VAL 82 -0.051 -7.143 1.725 687 HG12 VAL 82 HG12 VAL 82 -1.606 -6.885 0.937 688 HG13 VAL 82 HG13 VAL 82 -1.368 -8.305 1.989 689 HG21 VAL 82 HG21 VAL 82 -0.342 -6.635 -1.118 690 HG22 VAL 82 HG22 VAL 82 1.222 -7.136 -0.461 691 HG23 VAL 82 HG23 VAL 82 0.504 -7.991 -1.839 692 H ARG 83 H ARG 83 2.759 -8.796 0.123 693 HA ARG 83 HA ARG 83 3.219 -8.348 3.018 694 HB2 ARG 83 HB2 ARG 83 4.563 -10.250 1.405 695 HB3 ARG 83 HB3 ARG 83 5.699 -8.904 1.565 696 HG2 ARG 83 HG2 ARG 83 5.524 -9.044 4.015 697 HG3 ARG 83 HG3 ARG 83 4.281 -10.299 3.893 698 HD2 ARG 83 HD2 ARG 83 5.864 -11.768 2.718 699 HD3 ARG 83 HD3 ARG 83 7.114 -10.523 2.781 700 HE ARG 83 HE ARG 83 6.845 -10.675 5.320 701 HH11 ARG 83 HH11 ARG 83 6.177 -13.548 3.281 702 HH12 ARG 83 HH12 ARG 83 6.892 -14.638 4.446 703 HH21 ARG 83 HH21 ARG 83 7.506 -12.194 6.907 704 HH22 ARG 83 HH22 ARG 83 7.236 -13.857 6.605 705 H LYS 84 H LYS 84 3.400 -6.193 3.326 706 HA LYS 84 HA LYS 84 4.817 -4.627 1.289 707 HB2 LYS 84 HB2 LYS 84 3.135 -2.747 1.626 708 HB3 LYS 84 HB3 LYS 84 2.826 -4.140 0.589 709 HG2 LYS 84 HG2 LYS 84 0.789 -3.643 1.550 710 HG3 LYS 84 HG3 LYS 84 1.337 -5.158 2.225 711 HD2 LYS 84 HD2 LYS 84 0.480 -4.130 4.057 712 HD3 LYS 84 HD3 LYS 84 2.144 -3.628 4.240 713 HE2 LYS 84 HE2 LYS 84 1.648 -1.436 3.302 714 HE3 LYS 84 HE3 LYS 84 0.047 -1.992 2.793 715 HZ1 LYS 84 HZ1 LYS 84 -0.192 -0.711 4.737 716 HZ2 LYS 84 HZ2 LYS 84 0.861 -1.604 5.624 717 HZ3 LYS 84 HZ3 LYS 84 -0.559 -2.229 5.140 718 H HIS 85 H HIS 85 6.458 -3.680 2.024 719 HA HIS 85 HA HIS 85 7.007 -3.245 4.875 720 HB2 HIS 85 HB2 HIS 85 8.426 -2.484 2.273 721 HB3 HIS 85 HB3 HIS 85 8.871 -1.734 3.786 722 HD1 HIS 85 HD1 HIS 85 9.666 -4.935 1.987 723 HD2 HIS 85 HD2 HIS 85 9.671 -3.310 5.869 724 HE1 HIS 85 HE1 HIS 85 11.281 -6.358 3.402 725 H TYR 86 H TYR 86 6.132 -1.473 5.978 726 HA TYR 86 HA TYR 86 5.109 0.801 4.344 727 HB2 TYR 86 HB2 TYR 86 3.251 1.019 5.774 728 HB3 TYR 86 HB3 TYR 86 3.281 -0.661 5.247 729 HD1 TYR 86 HD1 TYR 86 4.178 -2.443 6.922 730 HD2 TYR 86 HD2 TYR 86 3.316 1.649 8.064 731 HE1 TYR 86 HE1 TYR 86 4.144 -3.098 9.306 732 HE2 TYR 86 HE2 TYR 86 3.330 1.004 10.421 733 HH TYR 86 HH TYR 86 3.809 -0.695 11.930 734 H ASN 87 H ASN 87 5.023 2.902 5.561 735 HA ASN 87 HA ASN 87 6.057 2.804 8.250 736 HB2 ASN 87 HB2 ASN 87 8.055 3.261 6.546 737 HB3 ASN 87 HB3 ASN 87 7.394 4.875 6.500 738 HD21 ASN 87 HD21 ASN 87 9.456 5.482 7.412 739 HD22 ASN 87 HD22 ASN 87 9.920 5.131 9.076 740 H LEU 88 H LEU 88 4.785 4.127 9.434 741 HA LEU 88 HA LEU 88 2.843 5.949 8.250 742 HB2 LEU 88 HB2 LEU 88 3.664 5.616 11.157 743 HB3 LEU 88 HB3 LEU 88 2.163 6.306 10.569 744 HG LEU 88 HG LEU 88 2.970 3.369 10.281 745 HD11 LEU 88 HD11 LEU 88 2.578 4.208 12.641 746 HD12 LEU 88 HD12 LEU 88 1.465 2.906 12.106 747 HD13 LEU 88 HD13 LEU 88 0.927 4.602 12.174 748 HD21 LEU 88 HD21 LEU 88 0.802 2.850 9.550 749 HD22 LEU 88 HD22 LEU 88 1.295 4.256 8.586 750 HD23 LEU 88 HD23 LEU 88 0.180 4.467 9.940 751 H PHE 89 H PHE 89 2.879 8.303 8.533 752 HA PHE 89 HA PHE 89 4.784 9.732 9.992 753 HB2 PHE 89 HB2 PHE 89 6.171 10.689 8.340 754 HB3 PHE 89 HB3 PHE 89 6.387 8.969 8.227 755 HD1 PHE 89 HD1 PHE 89 4.491 7.861 6.398 756 HD2 PHE 89 HD2 PHE 89 6.249 11.797 6.312 757 HE1 PHE 89 HE1 PHE 89 4.040 8.026 3.983 758 HE2 PHE 89 HE2 PHE 89 5.957 11.871 3.860 759 HZ PHE 89 HZ PHE 89 4.824 9.986 2.683 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -4.414 13.284 -2.623 2 HA MET 1 HA MET 1 -6.450 12.455 -1.502 3 HB2 MET 1 HB2 MET 1 -7.227 14.861 -1.052 4 HB3 MET 1 HB3 MET 1 -7.768 14.895 -2.727 5 HG2 MET 1 HG2 MET 1 -8.902 12.546 -1.862 6 HG3 MET 1 HG3 MET 1 -8.888 13.456 -0.361 7 HE1 MET 1 HE1 MET 1 -10.507 15.350 0.206 8 HE2 MET 1 HE2 MET 1 -9.526 16.345 -0.902 9 HE3 MET 1 HE3 MET 1 -11.299 16.363 -1.016 10 H GLU 2 H GLU 2 -4.999 11.547 -3.801 11 HA GLU 2 HA GLU 2 -7.351 10.551 -5.230 12 HB2 GLU 2 HB2 GLU 2 -6.302 12.673 -6.314 13 HB3 GLU 2 HB3 GLU 2 -5.039 11.582 -6.856 14 HG2 GLU 2 HG2 GLU 2 -6.731 10.154 -7.981 15 HG3 GLU 2 HG3 GLU 2 -8.024 11.148 -7.300 16 H VAL 3 H VAL 3 -5.365 9.648 -3.398 17 HA VAL 3 HA VAL 3 -3.754 8.035 -2.868 18 HB VAL 3 HB VAL 3 -5.623 6.589 -4.745 19 HG11 VAL 3 HG11 VAL 3 -4.945 4.502 -3.538 20 HG12 VAL 3 HG12 VAL 3 -3.599 5.172 -4.452 21 HG13 VAL 3 HG13 VAL 3 -3.670 5.409 -2.694 22 HG21 VAL 3 HG21 VAL 3 -6.590 5.840 -2.516 23 HG22 VAL 3 HG22 VAL 3 -5.525 7.031 -1.759 24 HG23 VAL 3 HG23 VAL 3 -6.790 7.559 -2.885 25 H LYS 4 H LYS 4 -1.708 8.620 -3.461 26 HA LYS 4 HA LYS 4 -1.050 8.806 -6.300 27 HB2 LYS 4 HB2 LYS 4 -0.190 10.197 -4.162 28 HB3 LYS 4 HB3 LYS 4 1.018 8.905 -4.118 29 HG2 LYS 4 HG2 LYS 4 1.564 9.422 -6.526 30 HG3 LYS 4 HG3 LYS 4 0.342 10.709 -6.501 31 HD2 LYS 4 HD2 LYS 4 2.468 11.752 -6.221 32 HD3 LYS 4 HD3 LYS 4 1.668 11.812 -4.646 33 HE2 LYS 4 HE2 LYS 4 2.916 9.664 -4.033 34 HE3 LYS 4 HE3 LYS 4 3.770 9.791 -5.586 35 HZ1 LYS 4 HZ1 LYS 4 5.048 10.615 -3.846 36 HZ2 LYS 4 HZ2 LYS 4 3.912 11.737 -3.375 37 HZ3 LYS 4 HZ3 LYS 4 4.676 11.873 -4.847 38 H ILE 5 H ILE 5 0.001 7.289 -7.473 39 HA ILE 5 HA ILE 5 1.344 5.085 -6.101 40 HB ILE 5 HB ILE 5 -0.556 4.515 -8.414 41 HG12 ILE 5 HG12 ILE 5 -0.887 3.933 -5.441 42 HG13 ILE 5 HG13 ILE 5 -1.909 4.969 -6.440 43 HG21 ILE 5 HG21 ILE 5 0.026 2.162 -7.916 44 HG22 ILE 5 HG22 ILE 5 1.466 3.076 -8.326 45 HG23 ILE 5 HG23 ILE 5 1.119 2.691 -6.628 46 HD11 ILE 5 HD11 ILE 5 -1.748 1.943 -6.534 47 HD12 ILE 5 HD12 ILE 5 -3.123 2.964 -6.120 48 HD13 ILE 5 HD13 ILE 5 -2.528 2.903 -7.797 49 H GLU 6 H GLU 6 3.284 4.641 -7.125 50 HA GLU 6 HA GLU 6 3.705 5.585 -9.874 51 HB2 GLU 6 HB2 GLU 6 5.889 6.206 -7.842 52 HB3 GLU 6 HB3 GLU 6 5.752 6.710 -9.534 53 HG2 GLU 6 HG2 GLU 6 3.726 8.112 -8.796 54 HG3 GLU 6 HG3 GLU 6 4.258 7.748 -7.144 55 H LYS 7 H LYS 7 5.969 4.719 -10.643 56 HA LYS 7 HA LYS 7 6.369 2.011 -9.453 57 HB2 LYS 7 HB2 LYS 7 7.086 2.254 -12.268 58 HB3 LYS 7 HB3 LYS 7 6.478 0.918 -11.257 59 HG2 LYS 7 HG2 LYS 7 4.753 3.146 -12.305 60 HG3 LYS 7 HG3 LYS 7 4.970 1.539 -13.010 61 HD2 LYS 7 HD2 LYS 7 3.747 0.455 -11.387 62 HD3 LYS 7 HD3 LYS 7 4.263 1.595 -10.171 63 HE2 LYS 7 HE2 LYS 7 2.132 2.406 -10.365 64 HE3 LYS 7 HE3 LYS 7 2.836 3.325 -11.694 65 HZ1 LYS 7 HZ1 LYS 7 2.078 1.356 -13.116 66 HZ2 LYS 7 HZ2 LYS 7 0.896 2.326 -12.508 67 HZ3 LYS 7 HZ3 LYS 7 1.222 0.892 -11.774 68 HA PRO 8 HA PRO 8 10.108 4.670 -9.088 69 HB2 PRO 8 HB2 PRO 8 10.972 3.900 -6.614 70 HB3 PRO 8 HB3 PRO 8 9.617 5.041 -6.859 71 HG2 PRO 8 HG2 PRO 8 9.415 2.079 -6.213 72 HG3 PRO 8 HG3 PRO 8 8.516 3.457 -5.558 73 HD2 PRO 8 HD2 PRO 8 7.571 1.848 -7.589 74 HD3 PRO 8 HD3 PRO 8 7.075 3.559 -7.395 75 H THR 9 H THR 9 12.400 4.150 -9.074 76 HA THR 9 HA THR 9 13.137 1.590 -10.171 77 HB THR 9 HB THR 9 14.415 3.402 -10.853 78 HG1 THR 9 HG1 THR 9 16.516 2.934 -10.089 79 HG21 THR 9 HG21 THR 9 13.939 5.011 -9.045 80 HG22 THR 9 HG22 THR 9 15.668 4.914 -9.330 81 HG23 THR 9 HG23 THR 9 14.965 4.056 -7.955 82 HA PRO 10 HA PRO 10 13.320 -0.495 -6.303 83 HB2 PRO 10 HB2 PRO 10 14.982 -2.628 -6.799 84 HB3 PRO 10 HB3 PRO 10 13.315 -2.459 -7.444 85 HG2 PRO 10 HG2 PRO 10 15.931 -1.729 -8.827 86 HG3 PRO 10 HG3 PRO 10 14.590 -2.737 -9.468 87 HD2 PRO 10 HD2 PRO 10 14.811 -0.103 -10.074 88 HD3 PRO 10 HD3 PRO 10 13.206 -0.826 -9.750 89 H GLU 11 H GLU 11 16.326 0.611 -7.766 90 HA GLU 11 HA GLU 11 18.133 0.277 -5.565 91 HB2 GLU 11 HB2 GLU 11 17.907 1.919 -8.104 92 HB3 GLU 11 HB3 GLU 11 19.054 2.463 -6.901 93 HG2 GLU 11 HG2 GLU 11 19.104 -0.411 -7.662 94 HG3 GLU 11 HG3 GLU 11 19.799 0.793 -8.758 95 H LYS 12 H LYS 12 15.853 2.929 -6.441 96 HA LYS 12 HA LYS 12 16.684 4.705 -4.334 97 HB2 LYS 12 HB2 LYS 12 15.165 5.422 -6.204 98 HB3 LYS 12 HB3 LYS 12 13.893 4.354 -5.574 99 HG2 LYS 12 HG2 LYS 12 13.308 6.508 -4.818 100 HG3 LYS 12 HG3 LYS 12 14.008 5.748 -3.404 101 HD2 LYS 12 HD2 LYS 12 16.250 6.877 -4.316 102 HD3 LYS 12 HD3 LYS 12 15.116 7.893 -5.212 103 HE2 LYS 12 HE2 LYS 12 14.000 8.421 -2.982 104 HE3 LYS 12 HE3 LYS 12 15.335 7.531 -2.197 105 HZ1 LYS 12 HZ1 LYS 12 15.459 10.028 -3.739 106 HZ2 LYS 12 HZ2 LYS 12 16.799 9.097 -3.544 107 HZ3 LYS 12 HZ3 LYS 12 16.062 9.697 -2.210 108 H LEU 13 H LEU 13 14.345 2.053 -4.497 109 HA LEU 13 HA LEU 13 13.293 2.406 -1.855 110 HB2 LEU 13 HB2 LEU 13 13.283 0.199 -3.911 111 HB3 LEU 13 HB3 LEU 13 12.744 -0.134 -2.279 112 HG LEU 13 HG LEU 13 11.004 0.502 -4.033 113 HD11 LEU 13 HD11 LEU 13 9.619 1.721 -2.535 114 HD12 LEU 13 HD12 LEU 13 11.020 2.253 -1.560 115 HD13 LEU 13 HD13 LEU 13 10.540 0.524 -1.610 116 HD21 LEU 13 HD21 LEU 13 10.513 2.892 -4.344 117 HD22 LEU 13 HD22 LEU 13 11.996 2.363 -5.143 118 HD23 LEU 13 HD23 LEU 13 12.054 3.327 -3.638 119 H LYS 14 H LYS 14 16.169 0.554 -3.090 120 HA LYS 14 HA LYS 14 16.779 -0.689 -0.624 121 HB2 LYS 14 HB2 LYS 14 18.734 0.402 -2.684 122 HB3 LYS 14 HB3 LYS 14 19.059 -0.772 -1.399 123 HG2 LYS 14 HG2 LYS 14 17.051 -2.074 -2.623 124 HG3 LYS 14 HG3 LYS 14 17.564 -1.106 -4.003 125 HD2 LYS 14 HD2 LYS 14 19.352 -2.854 -2.358 126 HD3 LYS 14 HD3 LYS 14 18.568 -3.391 -3.830 127 HE2 LYS 14 HE2 LYS 14 20.764 -2.941 -4.451 128 HE3 LYS 14 HE3 LYS 14 19.844 -1.567 -5.067 129 HZ1 LYS 14 HZ1 LYS 14 21.927 -0.952 -4.034 130 HZ2 LYS 14 HZ2 LYS 14 21.476 -1.545 -2.572 131 HZ3 LYS 14 HZ3 LYS 14 20.708 -0.251 -3.252 132 H GLU 15 H GLU 15 17.644 2.512 -1.929 133 HA GLU 15 HA GLU 15 19.336 3.348 0.203 134 HB2 GLU 15 HB2 GLU 15 17.621 5.099 -1.603 135 HB3 GLU 15 HB3 GLU 15 18.882 5.668 -0.541 136 HG2 GLU 15 HG2 GLU 15 19.939 3.575 -2.268 137 HG3 GLU 15 HG3 GLU 15 19.081 4.776 -3.217 138 H LEU 16 H LEU 16 15.867 3.926 -0.327 139 HA LEU 16 HA LEU 16 15.392 5.518 1.967 140 HB2 LEU 16 HB2 LEU 16 13.566 3.709 0.337 141 HB3 LEU 16 HB3 LEU 16 12.990 4.807 1.576 142 HG LEU 16 HG LEU 16 14.443 5.649 -0.964 143 HD11 LEU 16 HD11 LEU 16 12.274 6.610 -1.596 144 HD12 LEU 16 HD12 LEU 16 11.555 5.988 -0.095 145 HD13 LEU 16 HD13 LEU 16 12.146 4.861 -1.337 146 HD21 LEU 16 HD21 LEU 16 15.035 7.243 0.725 147 HD22 LEU 16 HD22 LEU 16 13.342 7.321 1.301 148 HD23 LEU 16 HD23 LEU 16 13.800 7.955 -0.296 149 H SER 17 H SER 17 16.266 2.321 1.958 150 HA SER 17 HA SER 17 16.646 0.838 3.618 151 HB2 SER 17 HB2 SER 17 16.230 3.279 5.379 152 HB3 SER 17 HB3 SER 17 17.058 1.784 5.836 153 HG SER 17 HG SER 17 17.821 3.383 3.596 154 H VAL 18 H VAL 18 14.227 0.714 2.527 155 HA VAL 18 HA VAL 18 11.948 0.591 4.195 156 HB VAL 18 HB VAL 18 12.604 -0.888 1.624 157 HG11 VAL 18 HG11 VAL 18 10.192 -0.907 1.240 158 HG12 VAL 18 HG12 VAL 18 10.665 -1.802 2.687 159 HG13 VAL 18 HG13 VAL 18 9.940 -0.179 2.857 160 HG21 VAL 18 HG21 VAL 18 11.264 1.826 2.028 161 HG22 VAL 18 HG22 VAL 18 12.880 1.588 1.355 162 HG23 VAL 18 HG23 VAL 18 11.494 0.979 0.473 163 H GLU 19 H GLU 19 14.618 -1.657 3.562 164 HA GLU 19 HA GLU 19 13.581 -3.948 4.884 165 HB2 GLU 19 HB2 GLU 19 15.979 -4.521 5.215 166 HB3 GLU 19 HB3 GLU 19 15.596 -4.051 3.548 167 HG2 GLU 19 HG2 GLU 19 16.552 -1.823 3.912 168 HG3 GLU 19 HG3 GLU 19 16.796 -2.146 5.607 169 H LYS 20 H LYS 20 14.291 -0.857 6.247 170 HA LYS 20 HA LYS 20 14.551 -1.946 8.989 171 HB2 LYS 20 HB2 LYS 20 15.030 0.929 8.166 172 HB3 LYS 20 HB3 LYS 20 15.490 0.112 9.654 173 HG2 LYS 20 HG2 LYS 20 16.928 -1.453 8.183 174 HG3 LYS 20 HG3 LYS 20 16.604 -0.305 6.867 175 HD2 LYS 20 HD2 LYS 20 17.666 1.503 8.193 176 HD3 LYS 20 HD3 LYS 20 18.048 0.300 9.462 177 HE2 LYS 20 HE2 LYS 20 19.334 -1.040 7.879 178 HE3 LYS 20 HE3 LYS 20 18.863 0.006 6.538 179 HZ1 LYS 20 HZ1 LYS 20 20.651 1.155 6.937 180 HZ2 LYS 20 HZ2 LYS 20 21.005 0.279 8.303 181 HZ3 LYS 20 HZ3 LYS 20 20.096 1.622 8.443 182 H TRP 21 H TRP 21 12.116 -1.074 6.957 183 HA TRP 21 HA TRP 21 10.586 0.594 8.815 184 HB2 TRP 21 HB2 TRP 21 9.913 -0.609 6.101 185 HB3 TRP 21 HB3 TRP 21 8.877 0.434 7.011 186 HD1 TRP 21 HD1 TRP 21 12.370 1.745 7.230 187 HE1 TRP 21 HE1 TRP 21 12.789 3.561 5.632 188 HE3 TRP 21 HE3 TRP 21 8.071 1.340 4.434 189 HZ2 TRP 21 HZ2 TRP 21 11.478 4.810 3.379 190 HZ3 TRP 21 HZ3 TRP 21 7.631 2.972 2.605 191 HH2 TRP 21 HH2 TRP 21 9.299 4.779 2.113 192 HA PRO 22 HA PRO 22 8.435 -3.105 10.370 193 HB2 PRO 22 HB2 PRO 22 5.806 -2.327 10.572 194 HB3 PRO 22 HB3 PRO 22 7.094 -1.786 11.691 195 HG2 PRO 22 HG2 PRO 22 5.998 -0.329 9.281 196 HG3 PRO 22 HG3 PRO 22 6.267 0.308 10.934 197 HD2 PRO 22 HD2 PRO 22 8.094 0.726 8.981 198 HD3 PRO 22 HD3 PRO 22 8.615 0.359 10.632 199 H ILE 23 H ILE 23 7.456 -4.912 9.537 200 HA ILE 23 HA ILE 23 6.454 -4.924 6.759 201 HB ILE 23 HB ILE 23 6.859 -7.126 8.844 202 HG12 ILE 23 HG12 ILE 23 8.386 -6.513 6.276 203 HG13 ILE 23 HG13 ILE 23 8.986 -6.204 7.873 204 HG21 ILE 23 HG21 ILE 23 6.372 -8.749 7.015 205 HG22 ILE 23 HG22 ILE 23 4.983 -7.782 7.417 206 HG23 ILE 23 HG23 ILE 23 5.916 -7.395 5.957 207 HD11 ILE 23 HD11 ILE 23 8.586 -8.794 8.232 208 HD12 ILE 23 HD12 ILE 23 8.631 -8.812 6.446 209 HD13 ILE 23 HD13 ILE 23 10.011 -8.186 7.378 210 H TRP 24 H TRP 24 4.236 -5.466 6.373 211 HA TRP 24 HA TRP 24 2.673 -6.276 8.661 212 HB2 TRP 24 HB2 TRP 24 2.055 -3.965 8.674 213 HB3 TRP 24 HB3 TRP 24 1.813 -3.945 6.934 214 HD1 TRP 24 HD1 TRP 24 -0.003 -4.420 10.133 215 HE1 TRP 24 HE1 TRP 24 -2.481 -4.833 9.632 216 HE3 TRP 24 HE3 TRP 24 0.305 -5.371 5.181 217 HZ2 TRP 24 HZ2 TRP 24 -4.137 -5.546 7.372 218 HZ3 TRP 24 HZ3 TRP 24 -1.728 -5.800 3.801 219 HH2 TRP 24 HH2 TRP 24 -3.918 -5.888 4.882 220 H GLU 25 H GLU 25 1.174 -7.873 8.034 221 HA GLU 25 HA GLU 25 0.627 -8.324 5.204 222 HB2 GLU 25 HB2 GLU 25 1.198 -10.753 5.465 223 HB3 GLU 25 HB3 GLU 25 2.534 -9.623 5.298 224 HG2 GLU 25 HG2 GLU 25 3.152 -9.778 7.590 225 HG3 GLU 25 HG3 GLU 25 1.656 -10.637 8.026 226 H LYS 26 H LYS 26 -1.057 -10.152 4.993 227 HA LYS 26 HA LYS 26 -2.797 -10.558 7.247 228 HB2 LYS 26 HB2 LYS 26 -3.092 -8.121 6.049 229 HB3 LYS 26 HB3 LYS 26 -4.115 -9.052 4.978 230 HG2 LYS 26 HG2 LYS 26 -4.530 -9.270 7.965 231 HG3 LYS 26 HG3 LYS 26 -4.949 -7.764 7.180 232 HD2 LYS 26 HD2 LYS 26 -6.491 -9.013 5.628 233 HD3 LYS 26 HD3 LYS 26 -6.157 -10.463 6.523 234 HE2 LYS 26 HE2 LYS 26 -6.727 -9.099 8.648 235 HE3 LYS 26 HE3 LYS 26 -7.415 -7.877 7.567 236 HZ1 LYS 26 HZ1 LYS 26 -9.128 -9.371 6.957 237 HZ2 LYS 26 HZ2 LYS 26 -8.913 -9.662 8.552 238 HZ3 LYS 26 HZ3 LYS 26 -8.301 -10.707 7.491 239 H GLU 27 H GLU 27 -4.499 -12.007 6.644 240 HA GLU 27 HA GLU 27 -3.894 -13.799 4.550 241 HB2 GLU 27 HB2 GLU 27 -5.710 -13.603 6.696 242 HB3 GLU 27 HB3 GLU 27 -6.631 -14.124 5.321 243 HG2 GLU 27 HG2 GLU 27 -5.842 -15.971 6.643 244 HG3 GLU 27 HG3 GLU 27 -5.125 -16.034 5.031 245 H VAL 28 H VAL 28 -5.534 -14.520 3.184 246 HA VAL 28 HA VAL 28 -6.221 -12.567 1.107 247 HB VAL 28 HB VAL 28 -5.058 -14.528 0.509 248 HG11 VAL 28 HG11 VAL 28 -5.952 -16.816 0.585 249 HG12 VAL 28 HG12 VAL 28 -5.688 -16.171 2.199 250 HG13 VAL 28 HG13 VAL 28 -7.337 -16.261 1.540 251 HG21 VAL 28 HG21 VAL 28 -6.196 -15.189 -1.404 252 HG22 VAL 28 HG22 VAL 28 -7.787 -15.038 -0.649 253 HG23 VAL 28 HG23 VAL 28 -6.850 -13.581 -1.033 254 H SER 29 H SER 29 -7.624 -11.566 2.786 255 HA SER 29 HA SER 29 -10.432 -12.541 2.689 256 HB2 SER 29 HB2 SER 29 -9.196 -13.027 4.892 257 HB3 SER 29 HB3 SER 29 -9.088 -11.271 5.099 258 HG SER 29 HG SER 29 -10.894 -11.995 6.173 259 H GLU 30 H GLU 30 -11.438 -10.182 4.104 260 HA GLU 30 HA GLU 30 -10.436 -7.890 2.631 261 HB2 GLU 30 HB2 GLU 30 -12.666 -7.345 1.632 262 HB3 GLU 30 HB3 GLU 30 -11.826 -8.728 0.965 263 HG2 GLU 30 HG2 GLU 30 -13.719 -9.782 1.053 264 HG3 GLU 30 HG3 GLU 30 -13.435 -10.044 2.762 265 H PHE 31 H PHE 31 -11.464 -5.908 3.296 266 HA PHE 31 HA PHE 31 -12.948 -5.630 5.704 267 HB2 PHE 31 HB2 PHE 31 -11.108 -4.889 7.180 268 HB3 PHE 31 HB3 PHE 31 -11.036 -6.583 6.815 269 HD1 PHE 31 HD1 PHE 31 -9.225 -7.493 5.274 270 HD2 PHE 31 HD2 PHE 31 -9.313 -3.403 6.616 271 HE1 PHE 31 HE1 PHE 31 -6.827 -7.209 4.663 272 HE2 PHE 31 HE2 PHE 31 -6.967 -3.096 5.909 273 HZ PHE 31 HZ PHE 31 -5.744 -4.977 4.924 274 H ASP 32 H ASP 32 -11.792 -3.106 6.521 275 HA ASP 32 HA ASP 32 -11.538 -1.453 4.107 276 HB2 ASP 32 HB2 ASP 32 -12.958 0.232 5.007 277 HB3 ASP 32 HB3 ASP 32 -13.891 -1.263 4.990 278 H TRP 33 H TRP 33 -10.119 0.375 4.569 279 HA TRP 33 HA TRP 33 -8.926 0.385 7.303 280 HB2 TRP 33 HB2 TRP 33 -7.445 -0.754 5.544 281 HB3 TRP 33 HB3 TRP 33 -7.232 0.847 4.841 282 HD1 TRP 33 HD1 TRP 33 -5.446 2.365 6.022 283 HE1 TRP 33 HE1 TRP 33 -4.002 2.224 8.155 284 HE3 TRP 33 HE3 TRP 33 -7.627 -1.712 8.184 285 HZ2 TRP 33 HZ2 TRP 33 -3.849 0.551 10.487 286 HZ3 TRP 33 HZ3 TRP 33 -6.907 -2.477 10.434 287 HH2 TRP 33 HH2 TRP 33 -5.013 -1.349 11.590 288 H TYR 34 H TYR 34 -8.238 2.351 8.090 289 HA TYR 34 HA TYR 34 -8.884 4.729 6.473 290 HB2 TYR 34 HB2 TYR 34 -10.519 4.465 8.309 291 HB3 TYR 34 HB3 TYR 34 -9.190 4.485 9.474 292 HD1 TYR 34 HD1 TYR 34 -10.951 6.470 6.899 293 HD2 TYR 34 HD2 TYR 34 -8.102 6.578 10.094 294 HE1 TYR 34 HE1 TYR 34 -11.016 8.975 6.846 295 HE2 TYR 34 HE2 TYR 34 -8.173 9.038 10.059 296 HH TYR 34 HH TYR 34 -9.285 10.874 9.315 297 H TYR 35 H TYR 35 -7.172 5.912 6.068 298 HA TYR 35 HA TYR 35 -4.617 5.514 7.529 299 HB2 TYR 35 HB2 TYR 35 -5.247 7.032 4.959 300 HB3 TYR 35 HB3 TYR 35 -3.645 6.783 5.661 301 HD1 TYR 35 HD1 TYR 35 -2.694 4.471 5.799 302 HD2 TYR 35 HD2 TYR 35 -6.377 5.249 3.743 303 HE1 TYR 35 HE1 TYR 35 -2.550 2.258 4.737 304 HE2 TYR 35 HE2 TYR 35 -6.231 3.042 2.608 305 HH TYR 35 HH TYR 35 -3.507 0.767 3.137 306 H ASP 36 H ASP 36 -4.197 6.922 9.107 307 HA ASP 36 HA ASP 36 -5.409 9.646 9.029 308 HB2 ASP 36 HB2 ASP 36 -6.253 7.925 10.874 309 HB3 ASP 36 HB3 ASP 36 -4.770 8.405 11.685 310 H THR 37 H THR 37 -2.656 8.177 8.344 311 HA THR 37 HA THR 37 -1.428 10.707 8.554 312 HB THR 37 HB THR 37 0.848 9.192 9.187 313 HG1 THR 37 HG1 THR 37 0.452 8.452 11.236 314 HG21 THR 37 HG21 THR 37 -0.869 11.312 10.557 315 HG22 THR 37 HG22 THR 37 0.649 11.496 9.662 316 HG23 THR 37 HG23 THR 37 0.656 10.745 11.262 317 H ASN 38 H ASN 38 0.740 10.656 7.346 318 HA ASN 38 HA ASN 38 0.266 9.667 4.623 319 HB2 ASN 38 HB2 ASN 38 2.910 10.547 5.817 320 HB3 ASN 38 HB3 ASN 38 2.364 10.608 4.148 321 HD21 ASN 38 HD21 ASN 38 2.347 12.205 7.273 322 HD22 ASN 38 HD22 ASN 38 1.874 13.772 6.654 323 H GLU 39 H GLU 39 0.474 7.473 4.310 324 HA GLU 39 HA GLU 39 2.229 5.903 6.161 325 HB2 GLU 39 HB2 GLU 39 -0.143 5.796 6.815 326 HB3 GLU 39 HB3 GLU 39 -0.589 5.265 5.182 327 HG2 GLU 39 HG2 GLU 39 0.715 3.235 5.406 328 HG3 GLU 39 HG3 GLU 39 1.475 3.785 6.843 329 H THR 40 H THR 40 3.878 6.029 4.424 330 HA THR 40 HA THR 40 3.082 5.316 1.735 331 HB THR 40 HB THR 40 5.852 5.505 3.059 332 HG1 THR 40 HG1 THR 40 5.948 7.405 1.887 333 HG21 THR 40 HG21 THR 40 5.223 5.140 0.091 334 HG22 THR 40 HG22 THR 40 6.062 3.968 1.129 335 HG23 THR 40 HG23 THR 40 6.816 5.516 0.772 336 H CYS 41 H CYS 41 3.412 3.294 0.623 337 HA CYS 41 HA CYS 41 4.746 1.269 2.180 338 HB2 CYS 41 HB2 CYS 41 3.032 -0.424 1.909 339 HB3 CYS 41 HB3 CYS 41 2.493 0.868 2.991 340 HG CYS 41 HG CYS 41 0.525 -0.119 1.442 341 H TYR 42 H TYR 42 5.405 -0.501 1.045 342 HA TYR 42 HA TYR 42 5.522 -0.210 -1.920 343 HB2 TYR 42 HB2 TYR 42 7.583 0.534 -0.703 344 HB3 TYR 42 HB3 TYR 42 7.701 -1.038 0.052 345 HD1 TYR 42 HD1 TYR 42 7.249 0.292 -3.486 346 HD2 TYR 42 HD2 TYR 42 9.290 -2.426 -0.846 347 HE1 TYR 42 HE1 TYR 42 8.656 -0.472 -5.388 348 HE2 TYR 42 HE2 TYR 42 10.806 -3.061 -2.696 349 HH TYR 42 HH TYR 42 11.602 -2.329 -4.861 350 H ILE 43 H ILE 43 4.604 -1.913 -2.858 351 HA ILE 43 HA ILE 43 3.897 -4.374 -1.484 352 HB ILE 43 HB ILE 43 3.713 -3.758 -4.456 353 HG12 ILE 43 HG12 ILE 43 2.626 -1.851 -3.415 354 HG13 ILE 43 HG13 ILE 43 1.476 -2.862 -4.246 355 HG21 ILE 43 HG21 ILE 43 1.809 -5.330 -4.347 356 HG22 ILE 43 HG22 ILE 43 3.275 -6.101 -3.742 357 HG23 ILE 43 HG23 ILE 43 2.044 -5.534 -2.603 358 HD11 ILE 43 HD11 ILE 43 0.610 -3.724 -2.148 359 HD12 ILE 43 HD12 ILE 43 1.951 -2.982 -1.233 360 HD13 ILE 43 HD13 ILE 43 0.744 -1.956 -2.025 361 H LEU 44 H LEU 44 4.970 -6.282 -1.825 362 HA LEU 44 HA LEU 44 7.587 -6.186 -3.265 363 HB2 LEU 44 HB2 LEU 44 6.843 -7.192 -0.488 364 HB3 LEU 44 HB3 LEU 44 8.329 -7.668 -1.292 365 HG LEU 44 HG LEU 44 7.638 -4.712 -0.982 366 HD11 LEU 44 HD11 LEU 44 7.502 -5.577 1.274 367 HD12 LEU 44 HD12 LEU 44 8.977 -4.619 1.033 368 HD13 LEU 44 HD13 LEU 44 9.072 -6.403 1.080 369 HD21 LEU 44 HD21 LEU 44 10.204 -6.302 -1.322 370 HD22 LEU 44 HD22 LEU 44 10.147 -4.559 -1.019 371 HD23 LEU 44 HD23 LEU 44 9.425 -5.218 -2.504 372 H GLU 45 H GLU 45 5.045 -8.285 -1.802 373 HA GLU 45 HA GLU 45 4.809 -9.605 -4.336 374 HB2 GLU 45 HB2 GLU 45 4.993 -11.847 -3.447 375 HB3 GLU 45 HB3 GLU 45 6.483 -11.010 -3.018 376 HG2 GLU 45 HG2 GLU 45 5.399 -10.490 -0.725 377 HG3 GLU 45 HG3 GLU 45 4.147 -11.639 -1.153 378 H GLY 46 H GLY 46 2.695 -10.753 -4.362 379 HA2 GLY 46 HA2 GLY 46 0.617 -11.372 -3.428 380 HA3 GLY 46 HA3 GLY 46 0.839 -10.212 -2.136 381 H LYS 47 H LYS 47 -1.594 -10.036 -2.964 382 HA LYS 47 HA LYS 47 -1.684 -7.779 -4.857 383 HB2 LYS 47 HB2 LYS 47 -2.234 -10.488 -5.627 384 HB3 LYS 47 HB3 LYS 47 -3.771 -9.643 -5.563 385 HG2 LYS 47 HG2 LYS 47 -1.247 -8.651 -6.982 386 HG3 LYS 47 HG3 LYS 47 -2.515 -9.596 -7.732 387 HD2 LYS 47 HD2 LYS 47 -2.916 -6.813 -6.590 388 HD3 LYS 47 HD3 LYS 47 -2.623 -7.183 -8.279 389 HE2 LYS 47 HE2 LYS 47 -4.991 -8.234 -6.668 390 HE3 LYS 47 HE3 LYS 47 -5.053 -6.809 -7.716 391 HZ1 LYS 47 HZ1 LYS 47 -4.672 -8.190 -9.609 392 HZ2 LYS 47 HZ2 LYS 47 -5.808 -8.975 -8.765 393 HZ3 LYS 47 HZ3 LYS 47 -4.244 -9.498 -8.728 394 H VAL 48 H VAL 48 -3.395 -6.485 -4.739 395 HA VAL 48 HA VAL 48 -5.574 -7.063 -2.835 396 HB VAL 48 HB VAL 48 -3.813 -4.587 -2.723 397 HG11 VAL 48 HG11 VAL 48 -5.996 -5.352 -0.751 398 HG12 VAL 48 HG12 VAL 48 -4.947 -3.928 -0.693 399 HG13 VAL 48 HG13 VAL 48 -6.126 -4.067 -1.977 400 HG21 VAL 48 HG21 VAL 48 -3.107 -5.356 -0.467 401 HG22 VAL 48 HG22 VAL 48 -3.968 -6.890 -0.738 402 HG23 VAL 48 HG23 VAL 48 -2.565 -6.445 -1.732 403 H GLU 49 H GLU 49 -7.387 -5.580 -3.179 404 HA GLU 49 HA GLU 49 -7.199 -3.738 -5.461 405 HB2 GLU 49 HB2 GLU 49 -9.005 -5.945 -5.456 406 HB3 GLU 49 HB3 GLU 49 -9.969 -4.553 -4.954 407 HG2 GLU 49 HG2 GLU 49 -8.933 -3.286 -6.948 408 HG3 GLU 49 HG3 GLU 49 -8.317 -4.857 -7.477 409 H VAL 50 H VAL 50 -7.289 -1.753 -4.569 410 HA VAL 50 HA VAL 50 -8.599 -1.367 -1.929 411 HB VAL 50 HB VAL 50 -6.546 0.373 -3.355 412 HG11 VAL 50 HG11 VAL 50 -7.984 1.636 -1.809 413 HG12 VAL 50 HG12 VAL 50 -7.692 0.428 -0.540 414 HG13 VAL 50 HG13 VAL 50 -6.359 1.442 -1.131 415 HG21 VAL 50 HG21 VAL 50 -6.210 -1.637 -1.084 416 HG22 VAL 50 HG22 VAL 50 -5.479 -1.726 -2.710 417 HG23 VAL 50 HG23 VAL 50 -4.982 -0.458 -1.600 418 H THR 51 H THR 51 -10.702 -1.234 -2.561 419 HA THR 51 HA THR 51 -11.627 0.497 -4.727 420 HB THR 51 HB THR 51 -13.115 -0.980 -2.534 421 HG1 THR 51 HG1 THR 51 -12.960 -2.674 -3.743 422 HG21 THR 51 HG21 THR 51 -14.039 0.206 -5.200 423 HG22 THR 51 HG22 THR 51 -14.545 0.735 -3.589 424 HG23 THR 51 HG23 THR 51 -15.012 -0.869 -4.160 425 H THR 52 H THR 52 -11.336 2.676 -4.342 426 HA THR 52 HA THR 52 -11.578 3.723 -1.589 427 HB THR 52 HB THR 52 -10.722 5.763 -2.482 428 HG1 THR 52 HG1 THR 52 -10.768 4.417 -5.015 429 HG21 THR 52 HG21 THR 52 -9.121 3.415 -3.556 430 HG22 THR 52 HG22 THR 52 -9.051 4.091 -1.917 431 HG23 THR 52 HG23 THR 52 -8.535 5.063 -3.309 432 H GLU 53 H GLU 53 -12.818 6.011 -1.524 433 HA GLU 53 HA GLU 53 -15.475 5.022 -1.561 434 HB2 GLU 53 HB2 GLU 53 -14.215 6.668 0.068 435 HB3 GLU 53 HB3 GLU 53 -14.702 7.923 -1.076 436 HG2 GLU 53 HG2 GLU 53 -16.419 7.836 0.592 437 HG3 GLU 53 HG3 GLU 53 -17.089 6.995 -0.819 438 H ASP 54 H ASP 54 -13.744 7.182 -3.637 439 HA ASP 54 HA ASP 54 -16.035 8.140 -5.154 440 HB2 ASP 54 HB2 ASP 54 -13.460 8.996 -4.899 441 HB3 ASP 54 HB3 ASP 54 -13.318 8.114 -6.417 442 H GLY 55 H GLY 55 -14.876 5.078 -4.846 443 HA2 GLY 55 HA2 GLY 55 -15.682 3.197 -5.856 444 HA3 GLY 55 HA3 GLY 55 -16.082 4.088 -7.322 445 H LYS 56 H LYS 56 -13.133 5.188 -6.846 446 HA LYS 56 HA LYS 56 -11.996 3.772 -9.046 447 HB2 LYS 56 HB2 LYS 56 -10.797 5.679 -6.983 448 HB3 LYS 56 HB3 LYS 56 -9.908 5.094 -8.383 449 HG2 LYS 56 HG2 LYS 56 -12.594 6.475 -8.750 450 HG3 LYS 56 HG3 LYS 56 -11.158 7.414 -8.452 451 HD2 LYS 56 HD2 LYS 56 -10.034 6.433 -10.420 452 HD3 LYS 56 HD3 LYS 56 -11.429 5.389 -10.705 453 HE2 LYS 56 HE2 LYS 56 -11.614 7.197 -12.241 454 HE3 LYS 56 HE3 LYS 56 -12.866 7.419 -11.014 455 HZ1 LYS 56 HZ1 LYS 56 -11.453 9.094 -9.973 456 HZ2 LYS 56 HZ2 LYS 56 -11.779 9.482 -11.497 457 HZ3 LYS 56 HZ3 LYS 56 -10.284 8.895 -11.109 458 H LYS 57 H LYS 57 -11.011 1.767 -9.042 459 HA LYS 57 HA LYS 57 -10.347 0.612 -6.436 460 HB2 LYS 57 HB2 LYS 57 -11.019 -1.428 -7.344 461 HB3 LYS 57 HB3 LYS 57 -12.304 -0.261 -7.475 462 HG2 LYS 57 HG2 LYS 57 -10.893 -0.239 -9.981 463 HG3 LYS 57 HG3 LYS 57 -11.023 -1.926 -9.502 464 HD2 LYS 57 HD2 LYS 57 -12.876 -1.543 -10.854 465 HD3 LYS 57 HD3 LYS 57 -13.555 -1.445 -9.226 466 HE2 LYS 57 HE2 LYS 57 -13.482 1.018 -9.305 467 HE3 LYS 57 HE3 LYS 57 -12.508 0.964 -10.779 468 HZ1 LYS 57 HZ1 LYS 57 -14.664 1.537 -11.369 469 HZ2 LYS 57 HZ2 LYS 57 -15.361 0.232 -10.609 470 HZ3 LYS 57 HZ3 LYS 57 -14.407 0.041 -11.933 471 H TYR 58 H TYR 58 -8.299 0.800 -6.122 472 HA TYR 58 HA TYR 58 -6.385 0.683 -8.363 473 HB2 TYR 58 HB2 TYR 58 -5.994 1.180 -5.398 474 HB3 TYR 58 HB3 TYR 58 -4.724 1.207 -6.612 475 HD1 TYR 58 HD1 TYR 58 -4.672 2.964 -8.373 476 HD2 TYR 58 HD2 TYR 58 -7.703 2.973 -5.310 477 HE1 TYR 58 HE1 TYR 58 -5.209 5.292 -8.936 478 HE2 TYR 58 HE2 TYR 58 -8.343 5.291 -5.956 479 HH TYR 58 HH TYR 58 -6.462 7.145 -8.388 480 H VAL 59 H VAL 59 -5.880 -1.252 -9.093 481 HA VAL 59 HA VAL 59 -5.378 -3.632 -7.389 482 HB VAL 59 HB VAL 59 -4.974 -2.950 -10.327 483 HG11 VAL 59 HG11 VAL 59 -3.954 -5.354 -8.782 484 HG12 VAL 59 HG12 VAL 59 -4.101 -5.312 -10.554 485 HG13 VAL 59 HG13 VAL 59 -2.992 -4.213 -9.733 486 HG21 VAL 59 HG21 VAL 59 -7.249 -3.696 -9.621 487 HG22 VAL 59 HG22 VAL 59 -6.457 -4.926 -10.614 488 HG23 VAL 59 HG23 VAL 59 -6.535 -5.139 -8.863 489 H ILE 60 H ILE 60 -3.415 -3.911 -6.548 490 HA ILE 60 HA ILE 60 -1.125 -2.210 -7.318 491 HB ILE 60 HB ILE 60 -0.503 -2.217 -4.831 492 HG12 ILE 60 HG12 ILE 60 -3.517 -2.606 -4.522 493 HG13 ILE 60 HG13 ILE 60 -2.244 -3.707 -3.975 494 HG21 ILE 60 HG21 ILE 60 -0.993 -0.269 -6.192 495 HG22 ILE 60 HG22 ILE 60 -2.745 -0.432 -5.849 496 HG23 ILE 60 HG23 ILE 60 -1.587 -0.056 -4.548 497 HD11 ILE 60 HD11 ILE 60 -1.420 -1.920 -2.426 498 HD12 ILE 60 HD12 ILE 60 -2.825 -0.928 -2.887 499 HD13 ILE 60 HD13 ILE 60 -3.062 -2.477 -2.070 500 H GLU 61 H GLU 61 -0.080 -3.690 -8.387 501 HA GLU 61 HA GLU 61 0.360 -6.400 -7.306 502 HB2 GLU 61 HB2 GLU 61 1.550 -6.855 -9.363 503 HB3 GLU 61 HB3 GLU 61 0.016 -6.077 -9.757 504 HG2 GLU 61 HG2 GLU 61 1.224 -3.903 -10.026 505 HG3 GLU 61 HG3 GLU 61 2.741 -4.693 -9.655 506 H LYS 62 H LYS 62 2.758 -7.088 -7.379 507 HA LYS 62 HA LYS 62 4.399 -5.653 -5.575 508 HB2 LYS 62 HB2 LYS 62 6.172 -7.108 -6.243 509 HB3 LYS 62 HB3 LYS 62 4.661 -7.977 -5.974 510 HG2 LYS 62 HG2 LYS 62 4.655 -7.354 -8.713 511 HG3 LYS 62 HG3 LYS 62 6.329 -7.760 -8.387 512 HD2 LYS 62 HD2 LYS 62 5.480 -9.903 -7.220 513 HD3 LYS 62 HD3 LYS 62 3.895 -9.540 -7.886 514 HE2 LYS 62 HE2 LYS 62 6.399 -9.760 -9.611 515 HE3 LYS 62 HE3 LYS 62 5.342 -11.126 -9.234 516 HZ1 LYS 62 HZ1 LYS 62 3.536 -9.993 -10.370 517 HZ2 LYS 62 HZ2 LYS 62 4.821 -10.162 -11.349 518 HZ3 LYS 62 HZ3 LYS 62 4.517 -8.700 -10.728 519 H GLY 63 H GLY 63 5.636 -3.961 -5.799 520 HA2 GLY 63 HA2 GLY 63 7.295 -2.619 -6.845 521 HA3 GLY 63 HA3 GLY 63 6.639 -2.997 -8.433 522 H ASP 64 H ASP 64 3.738 -2.242 -7.405 523 HA ASP 64 HA ASP 64 3.887 0.580 -8.177 524 HB2 ASP 64 HB2 ASP 64 1.735 -1.321 -7.207 525 HB3 ASP 64 HB3 ASP 64 1.435 0.386 -7.198 526 H LEU 65 H LEU 65 4.823 1.986 -6.708 527 HA LEU 65 HA LEU 65 4.712 1.472 -3.791 528 HB2 LEU 65 HB2 LEU 65 6.775 2.367 -4.760 529 HB3 LEU 65 HB3 LEU 65 5.866 3.702 -5.501 530 HG LEU 65 HG LEU 65 5.207 4.361 -3.042 531 HD11 LEU 65 HD11 LEU 65 6.101 2.211 -2.054 532 HD12 LEU 65 HD12 LEU 65 6.739 3.658 -1.290 533 HD13 LEU 65 HD13 LEU 65 7.720 2.730 -2.466 534 HD21 LEU 65 HD21 LEU 65 6.735 5.565 -4.592 535 HD22 LEU 65 HD22 LEU 65 8.095 4.703 -3.864 536 HD23 LEU 65 HD23 LEU 65 7.094 5.782 -2.865 537 H VAL 66 H VAL 66 3.245 2.548 -2.464 538 HA VAL 66 HA VAL 66 1.315 4.369 -3.815 539 HB VAL 66 HB VAL 66 0.859 2.415 -1.515 540 HG11 VAL 66 HG11 VAL 66 -1.536 2.742 -1.982 541 HG12 VAL 66 HG12 VAL 66 -0.758 4.238 -1.474 542 HG13 VAL 66 HG13 VAL 66 -1.136 3.990 -3.192 543 HG21 VAL 66 HG21 VAL 66 1.324 1.077 -3.508 544 HG22 VAL 66 HG22 VAL 66 -0.392 1.034 -3.144 545 HG23 VAL 66 HG23 VAL 66 0.221 2.060 -4.476 546 H THR 67 H THR 67 0.657 6.154 -2.756 547 HA THR 67 HA THR 67 1.413 6.536 0.022 548 HB THR 67 HB THR 67 1.843 8.713 -2.037 549 HG1 THR 67 HG1 THR 67 3.407 7.167 -2.284 550 HG21 THR 67 HG21 THR 67 1.361 9.514 0.327 551 HG22 THR 67 HG22 THR 67 3.011 9.904 -0.202 552 HG23 THR 67 HG23 THR 67 2.712 8.550 0.908 553 H PHE 68 H PHE 68 -0.617 6.387 0.757 554 HA PHE 68 HA PHE 68 -2.984 7.721 -0.323 555 HB2 PHE 68 HB2 PHE 68 -2.365 6.589 2.444 556 HB3 PHE 68 HB3 PHE 68 -3.938 7.139 1.913 557 HD1 PHE 68 HD1 PHE 68 -5.190 5.848 0.105 558 HD2 PHE 68 HD2 PHE 68 -1.565 4.432 1.892 559 HE1 PHE 68 HE1 PHE 68 -5.655 3.584 -0.787 560 HE2 PHE 68 HE2 PHE 68 -2.001 2.144 0.978 561 HZ PHE 68 HZ PHE 68 -4.035 1.705 -0.329 562 HA PRO 69 HA PRO 69 -1.837 11.334 2.218 563 HB2 PRO 69 HB2 PRO 69 -4.051 12.795 2.438 564 HB3 PRO 69 HB3 PRO 69 -3.353 12.482 0.814 565 HG2 PRO 69 HG2 PRO 69 -5.594 10.970 2.206 566 HG3 PRO 69 HG3 PRO 69 -5.542 11.709 0.580 567 HD2 PRO 69 HD2 PRO 69 -4.966 9.015 1.116 568 HD3 PRO 69 HD3 PRO 69 -4.291 9.903 -0.288 569 H LYS 70 H LYS 70 -2.662 12.494 4.054 570 HA LYS 70 HA LYS 70 -3.186 10.746 6.413 571 HB2 LYS 70 HB2 LYS 70 -1.409 12.444 6.528 572 HB3 LYS 70 HB3 LYS 70 -2.539 13.718 6.107 573 HG2 LYS 70 HG2 LYS 70 -3.638 13.578 8.264 574 HG3 LYS 70 HG3 LYS 70 -2.769 12.124 8.710 575 HD2 LYS 70 HD2 LYS 70 -0.609 13.248 8.572 576 HD3 LYS 70 HD3 LYS 70 -1.355 14.744 8.073 577 HE2 LYS 70 HE2 LYS 70 -1.956 13.400 10.751 578 HE3 LYS 70 HE3 LYS 70 -0.589 14.494 10.505 579 HZ1 LYS 70 HZ1 LYS 70 -2.217 15.844 11.294 580 HZ2 LYS 70 HZ2 LYS 70 -3.441 15.164 10.469 581 HZ3 LYS 70 HZ3 LYS 70 -2.343 16.134 9.683 582 H GLY 71 H GLY 71 -5.290 10.077 5.967 583 HA2 GLY 71 HA2 GLY 71 -7.477 10.626 6.780 584 HA3 GLY 71 HA3 GLY 71 -7.434 12.159 5.938 585 H LEU 72 H LEU 72 -7.615 8.644 5.480 586 HA LEU 72 HA LEU 72 -9.370 8.959 3.141 587 HB2 LEU 72 HB2 LEU 72 -7.246 8.931 2.042 588 HB3 LEU 72 HB3 LEU 72 -6.776 7.448 2.874 589 HG LEU 72 HG LEU 72 -9.449 7.308 1.429 590 HD11 LEU 72 HD11 LEU 72 -8.338 6.950 -0.742 591 HD12 LEU 72 HD12 LEU 72 -6.822 7.586 -0.045 592 HD13 LEU 72 HD13 LEU 72 -8.258 8.629 -0.163 593 HD21 LEU 72 HD21 LEU 72 -8.583 5.198 0.723 594 HD22 LEU 72 HD22 LEU 72 -8.545 5.412 2.489 595 HD23 LEU 72 HD23 LEU 72 -7.039 5.509 1.552 596 H ARG 73 H ARG 73 -10.983 7.552 3.322 597 HA ARG 73 HA ARG 73 -10.565 5.073 4.931 598 HB2 ARG 73 HB2 ARG 73 -12.515 6.895 5.431 599 HB3 ARG 73 HB3 ARG 73 -13.309 6.051 4.118 600 HG2 ARG 73 HG2 ARG 73 -13.490 4.039 5.302 601 HG3 ARG 73 HG3 ARG 73 -12.186 4.447 6.431 602 HD2 ARG 73 HD2 ARG 73 -13.510 6.157 7.512 603 HD3 ARG 73 HD3 ARG 73 -14.772 6.036 6.284 604 HE ARG 73 HE ARG 73 -14.101 3.783 8.154 605 HH11 ARG 73 HH11 ARG 73 -16.599 5.652 6.513 606 HH12 ARG 73 HH12 ARG 73 -17.882 5.074 7.541 607 HH21 ARG 73 HH21 ARG 73 -15.702 2.847 9.236 608 HH22 ARG 73 HH22 ARG 73 -17.388 3.276 9.035 609 H CYS 74 H CYS 74 -10.686 3.151 3.674 610 HA CYS 74 HA CYS 74 -12.282 3.238 1.245 611 HB2 CYS 74 HB2 CYS 74 -10.627 2.349 -0.188 612 HB3 CYS 74 HB3 CYS 74 -10.231 3.995 0.302 613 HG CYS 74 HG CYS 74 -8.769 3.027 2.464 614 H ARG 75 H ARG 75 -12.362 1.015 0.232 615 HA ARG 75 HA ARG 75 -12.385 -1.057 2.307 616 HB2 ARG 75 HB2 ARG 75 -13.664 -0.658 -0.256 617 HB3 ARG 75 HB3 ARG 75 -12.825 -2.186 -0.307 618 HG2 ARG 75 HG2 ARG 75 -14.408 -3.160 0.889 619 HG3 ARG 75 HG3 ARG 75 -14.157 -2.100 2.274 620 HD2 ARG 75 HD2 ARG 75 -15.778 -1.491 -0.195 621 HD3 ARG 75 HD3 ARG 75 -16.467 -2.035 1.332 622 HE ARG 75 HE ARG 75 -14.984 0.595 0.956 623 HH11 ARG 75 HH11 ARG 75 -17.540 -1.272 2.591 624 HH12 ARG 75 HH12 ARG 75 -18.478 0.111 3.034 625 HH21 ARG 75 HH21 ARG 75 -16.058 2.428 1.916 626 HH22 ARG 75 HH22 ARG 75 -17.566 2.257 2.725 627 H TRP 76 H TRP 76 -11.521 -3.136 1.765 628 HA TRP 76 HA TRP 76 -8.925 -3.068 0.347 629 HB2 TRP 76 HB2 TRP 76 -9.256 -2.965 3.278 630 HB3 TRP 76 HB3 TRP 76 -8.276 -4.315 2.736 631 HD1 TRP 76 HD1 TRP 76 -8.397 -0.491 2.067 632 HE1 TRP 76 HE1 TRP 76 -6.036 0.314 1.508 633 HE3 TRP 76 HE3 TRP 76 -5.907 -4.946 2.481 634 HZ2 TRP 76 HZ2 TRP 76 -3.412 -0.835 1.220 635 HZ3 TRP 76 HZ3 TRP 76 -3.459 -5.035 2.157 636 HH2 TRP 76 HH2 TRP 76 -2.212 -2.991 1.526 637 H LYS 77 H LYS 77 -9.442 -4.667 -1.122 638 HA LYS 77 HA LYS 77 -10.420 -7.302 -0.108 639 HB2 LYS 77 HB2 LYS 77 -11.603 -6.373 -2.104 640 HB3 LYS 77 HB3 LYS 77 -10.062 -6.226 -2.938 641 HG2 LYS 77 HG2 LYS 77 -10.890 -8.206 -3.776 642 HG3 LYS 77 HG3 LYS 77 -9.756 -8.758 -2.553 643 HD2 LYS 77 HD2 LYS 77 -12.187 -8.549 -1.146 644 HD3 LYS 77 HD3 LYS 77 -12.667 -9.031 -2.764 645 HE2 LYS 77 HE2 LYS 77 -10.802 -10.842 -2.575 646 HE3 LYS 77 HE3 LYS 77 -10.756 -10.480 -0.847 647 HZ1 LYS 77 HZ1 LYS 77 -12.216 -12.344 -1.532 648 HZ2 LYS 77 HZ2 LYS 77 -13.112 -11.345 -2.403 649 HZ3 LYS 77 HZ3 LYS 77 -13.113 -11.186 -0.756 650 H VAL 78 H VAL 78 -8.629 -8.502 0.662 651 HA VAL 78 HA VAL 78 -6.010 -8.215 -0.659 652 HB VAL 78 HB VAL 78 -6.799 -10.348 1.354 653 HG11 VAL 78 HG11 VAL 78 -4.379 -10.176 1.919 654 HG12 VAL 78 HG12 VAL 78 -4.756 -10.668 0.278 655 HG13 VAL 78 HG13 VAL 78 -4.196 -9.014 0.569 656 HG21 VAL 78 HG21 VAL 78 -5.921 -8.853 3.180 657 HG22 VAL 78 HG22 VAL 78 -5.969 -7.482 2.035 658 HG23 VAL 78 HG23 VAL 78 -7.460 -8.303 2.534 659 H LEU 79 H LEU 79 -5.876 -9.170 -2.550 660 HA LEU 79 HA LEU 79 -7.820 -11.297 -3.277 661 HB2 LEU 79 HB2 LEU 79 -5.829 -9.633 -4.852 662 HB3 LEU 79 HB3 LEU 79 -6.692 -11.012 -5.549 663 HG LEU 79 HG LEU 79 -8.091 -8.612 -4.272 664 HD11 LEU 79 HD11 LEU 79 -8.586 -7.928 -6.645 665 HD12 LEU 79 HD12 LEU 79 -7.347 -9.087 -7.149 666 HD13 LEU 79 HD13 LEU 79 -6.924 -7.701 -6.102 667 HD21 LEU 79 HD21 LEU 79 -10.055 -9.434 -5.597 668 HD22 LEU 79 HD22 LEU 79 -9.539 -10.598 -4.383 669 HD23 LEU 79 HD23 LEU 79 -9.107 -10.851 -6.090 670 H GLU 80 H GLU 80 -4.466 -10.781 -2.277 671 HA GLU 80 HA GLU 80 -4.087 -13.668 -2.094 672 HB2 GLU 80 HB2 GLU 80 -2.565 -11.813 -3.960 673 HB3 GLU 80 HB3 GLU 80 -1.663 -13.097 -3.200 674 HG2 GLU 80 HG2 GLU 80 -2.674 -14.768 -4.359 675 HG3 GLU 80 HG3 GLU 80 -4.176 -13.904 -4.632 676 HA PRO 81 HA PRO 81 -1.845 -12.419 1.557 677 HB2 PRO 81 HB2 PRO 81 0.386 -14.086 1.516 678 HB3 PRO 81 HB3 PRO 81 -1.241 -14.562 2.081 679 HG2 PRO 81 HG2 PRO 81 0.006 -15.009 -0.635 680 HG3 PRO 81 HG3 PRO 81 -0.916 -16.174 0.371 681 HD2 PRO 81 HD2 PRO 81 -2.089 -14.871 -1.677 682 HD3 PRO 81 HD3 PRO 81 -2.977 -15.128 -0.150 683 H VAL 82 H VAL 82 -0.556 -10.686 1.832 684 HA VAL 82 HA VAL 82 1.417 -9.997 -0.260 685 HB VAL 82 HB VAL 82 -0.774 -9.031 -0.874 686 HG11 VAL 82 HG11 VAL 82 -1.916 -7.381 0.496 687 HG12 VAL 82 HG12 VAL 82 -1.802 -8.912 1.360 688 HG13 VAL 82 HG13 VAL 82 -0.725 -7.558 1.783 689 HG21 VAL 82 HG21 VAL 82 1.215 -6.934 0.092 690 HG22 VAL 82 HG22 VAL 82 1.050 -7.639 -1.529 691 HG23 VAL 82 HG23 VAL 82 -0.207 -6.597 -0.918 692 H ARG 83 H ARG 83 3.188 -8.967 0.444 693 HA ARG 83 HA ARG 83 3.342 -8.493 3.401 694 HB2 ARG 83 HB2 ARG 83 4.334 -10.679 2.174 695 HB3 ARG 83 HB3 ARG 83 5.672 -9.590 1.875 696 HG2 ARG 83 HG2 ARG 83 5.654 -9.085 4.387 697 HG3 ARG 83 HG3 ARG 83 4.392 -10.324 4.526 698 HD2 ARG 83 HD2 ARG 83 5.976 -11.902 3.305 699 HD3 ARG 83 HD3 ARG 83 7.249 -10.723 3.638 700 HE ARG 83 HE ARG 83 5.680 -11.374 5.999 701 HH11 ARG 83 HH11 ARG 83 8.074 -12.927 3.884 702 HH12 ARG 83 HH12 ARG 83 8.195 -14.320 4.893 703 HH21 ARG 83 HH21 ARG 83 5.916 -12.984 7.281 704 HH22 ARG 83 HH22 ARG 83 7.105 -14.261 7.115 705 H LYS 84 H LYS 84 2.813 -6.220 2.628 706 HA LYS 84 HA LYS 84 4.919 -4.875 1.095 707 HB2 LYS 84 HB2 LYS 84 3.421 -3.202 0.807 708 HB3 LYS 84 HB3 LYS 84 2.246 -4.413 1.267 709 HG2 LYS 84 HG2 LYS 84 3.432 -2.297 3.095 710 HG3 LYS 84 HG3 LYS 84 1.966 -2.131 2.209 711 HD2 LYS 84 HD2 LYS 84 2.001 -4.382 4.136 712 HD3 LYS 84 HD3 LYS 84 2.175 -2.776 4.808 713 HE2 LYS 84 HE2 LYS 84 0.152 -2.464 2.850 714 HE3 LYS 84 HE3 LYS 84 -0.233 -3.996 3.614 715 HZ1 LYS 84 HZ1 LYS 84 -0.401 -2.803 5.736 716 HZ2 LYS 84 HZ2 LYS 84 -1.289 -2.046 4.607 717 HZ3 LYS 84 HZ3 LYS 84 0.138 -1.409 5.025 718 H HIS 85 H HIS 85 6.109 -3.077 1.986 719 HA HIS 85 HA HIS 85 6.593 -3.169 4.955 720 HB2 HIS 85 HB2 HIS 85 8.276 -2.355 2.584 721 HB3 HIS 85 HB3 HIS 85 8.448 -1.427 4.060 722 HD1 HIS 85 HD1 HIS 85 9.507 -4.802 2.701 723 HD2 HIS 85 HD2 HIS 85 9.137 -2.750 6.367 724 HE1 HIS 85 HE1 HIS 85 10.856 -6.101 4.421 725 H TYR 86 H TYR 86 6.026 -1.166 6.092 726 HA TYR 86 HA TYR 86 4.963 1.002 4.397 727 HB2 TYR 86 HB2 TYR 86 3.037 1.349 5.726 728 HB3 TYR 86 HB3 TYR 86 3.024 -0.340 5.220 729 HD1 TYR 86 HD1 TYR 86 4.108 -2.040 7.045 730 HD2 TYR 86 HD2 TYR 86 2.517 1.890 7.953 731 HE1 TYR 86 HE1 TYR 86 3.789 -2.690 9.395 732 HE2 TYR 86 HE2 TYR 86 2.177 1.214 10.286 733 HH TYR 86 HH TYR 86 2.345 -0.565 11.869 734 H ASN 87 H ASN 87 4.919 3.130 5.520 735 HA ASN 87 HA ASN 87 6.210 3.197 8.151 736 HB2 ASN 87 HB2 ASN 87 8.072 3.437 6.447 737 HB3 ASN 87 HB3 ASN 87 7.316 4.922 5.902 738 HD21 ASN 87 HD21 ASN 87 9.326 6.072 6.642 739 HD22 ASN 87 HD22 ASN 87 9.580 6.280 8.392 740 H LEU 88 H LEU 88 5.295 4.754 9.378 741 HA LEU 88 HA LEU 88 3.232 6.549 8.221 742 HB2 LEU 88 HB2 LEU 88 4.141 5.998 11.081 743 HB3 LEU 88 HB3 LEU 88 2.835 7.090 10.633 744 HG LEU 88 HG LEU 88 2.811 4.092 10.009 745 HD11 LEU 88 HD11 LEU 88 1.377 5.595 12.246 746 HD12 LEU 88 HD12 LEU 88 2.819 4.596 12.475 747 HD13 LEU 88 HD13 LEU 88 1.300 3.854 11.910 748 HD21 LEU 88 HD21 LEU 88 0.414 4.426 9.649 749 HD22 LEU 88 HD22 LEU 88 1.352 5.447 8.549 750 HD23 LEU 88 HD23 LEU 88 0.579 6.166 9.970 751 H PHE 89 H PHE 89 3.561 8.819 8.036 752 HA PHE 89 HA PHE 89 5.799 10.094 9.323 753 HB2 PHE 89 HB2 PHE 89 7.026 10.674 7.385 754 HB3 PHE 89 HB3 PHE 89 6.892 8.919 7.393 755 HD1 PHE 89 HD1 PHE 89 4.745 8.011 5.951 756 HD2 PHE 89 HD2 PHE 89 6.819 11.738 5.359 757 HE1 PHE 89 HE1 PHE 89 3.805 8.187 3.680 758 HE2 PHE 89 HE2 PHE 89 5.960 11.845 3.027 759 HZ PHE 89 HZ PHE 89 4.435 10.070 2.191 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -5.483 14.597 -0.388 2 HA MET 1 HA MET 1 -6.979 12.780 -0.147 3 HB2 MET 1 HB2 MET 1 -7.762 14.554 -2.478 4 HB3 MET 1 HB3 MET 1 -8.780 13.231 -1.899 5 HG2 MET 1 HG2 MET 1 -8.516 14.255 0.459 6 HG3 MET 1 HG3 MET 1 -7.885 15.676 -0.366 7 HE1 MET 1 HE1 MET 1 -12.250 14.081 -0.637 8 HE2 MET 1 HE2 MET 1 -10.928 13.202 -1.418 9 HE3 MET 1 HE3 MET 1 -10.963 13.366 0.350 10 H GLU 2 H GLU 2 -6.033 12.924 -3.765 11 HA GLU 2 HA GLU 2 -6.886 10.190 -3.951 12 HB2 GLU 2 HB2 GLU 2 -6.880 11.832 -5.772 13 HB3 GLU 2 HB3 GLU 2 -5.106 11.824 -5.803 14 HG2 GLU 2 HG2 GLU 2 -5.004 9.691 -6.743 15 HG3 GLU 2 HG3 GLU 2 -6.486 9.157 -5.943 16 H VAL 3 H VAL 3 -5.509 8.415 -4.487 17 HA VAL 3 HA VAL 3 -3.248 8.090 -2.689 18 HB VAL 3 HB VAL 3 -4.297 6.170 -4.811 19 HG11 VAL 3 HG11 VAL 3 -3.485 4.465 -3.223 20 HG12 VAL 3 HG12 VAL 3 -2.192 5.576 -3.679 21 HG13 VAL 3 HG13 VAL 3 -2.968 5.738 -2.096 22 HG21 VAL 3 HG21 VAL 3 -5.441 6.553 -2.018 23 HG22 VAL 3 HG22 VAL 3 -6.301 6.752 -3.559 24 HG23 VAL 3 HG23 VAL 3 -5.766 5.156 -3.070 25 H LYS 4 H LYS 4 -1.093 7.856 -3.413 26 HA LYS 4 HA LYS 4 -0.559 8.657 -6.253 27 HB2 LYS 4 HB2 LYS 4 0.269 9.958 -4.060 28 HB3 LYS 4 HB3 LYS 4 1.541 8.764 -4.082 29 HG2 LYS 4 HG2 LYS 4 0.844 10.433 -6.559 30 HG3 LYS 4 HG3 LYS 4 1.790 11.073 -5.234 31 HD2 LYS 4 HD2 LYS 4 3.312 8.966 -5.571 32 HD3 LYS 4 HD3 LYS 4 2.578 8.916 -7.189 33 HE2 LYS 4 HE2 LYS 4 3.381 11.151 -7.700 34 HE3 LYS 4 HE3 LYS 4 3.746 11.468 -5.991 35 HZ1 LYS 4 HZ1 LYS 4 5.220 9.586 -7.717 36 HZ2 LYS 4 HZ2 LYS 4 5.453 9.781 -6.093 37 HZ3 LYS 4 HZ3 LYS 4 5.786 11.006 -7.103 38 H ILE 5 H ILE 5 -0.089 6.924 -7.464 39 HA ILE 5 HA ILE 5 1.257 4.591 -6.259 40 HB ILE 5 HB ILE 5 -1.158 4.302 -8.082 41 HG12 ILE 5 HG12 ILE 5 -0.813 3.992 -5.083 42 HG13 ILE 5 HG13 ILE 5 -1.970 5.006 -5.955 43 HG21 ILE 5 HG21 ILE 5 0.538 2.205 -6.634 44 HG22 ILE 5 HG22 ILE 5 -0.870 1.881 -7.679 45 HG23 ILE 5 HG23 ILE 5 0.594 2.521 -8.374 46 HD11 ILE 5 HD11 ILE 5 -3.243 3.201 -5.124 47 HD12 ILE 5 HD12 ILE 5 -2.983 2.827 -6.843 48 HD13 ILE 5 HD13 ILE 5 -2.030 2.009 -5.593 49 H GLU 6 H GLU 6 2.912 3.855 -7.506 50 HA GLU 6 HA GLU 6 2.987 4.153 -10.351 51 HB2 GLU 6 HB2 GLU 6 5.084 5.552 -10.315 52 HB3 GLU 6 HB3 GLU 6 3.555 6.405 -10.025 53 HG2 GLU 6 HG2 GLU 6 4.016 6.380 -7.570 54 HG3 GLU 6 HG3 GLU 6 5.486 5.449 -7.910 55 H LYS 7 H LYS 7 5.250 3.414 -11.149 56 HA LYS 7 HA LYS 7 6.270 1.340 -9.278 57 HB2 LYS 7 HB2 LYS 7 6.431 1.321 -12.294 58 HB3 LYS 7 HB3 LYS 7 7.145 0.167 -11.192 59 HG2 LYS 7 HG2 LYS 7 5.259 -0.930 -11.825 60 HG3 LYS 7 HG3 LYS 7 4.735 -0.250 -10.288 61 HD2 LYS 7 HD2 LYS 7 3.338 1.313 -11.309 62 HD3 LYS 7 HD3 LYS 7 4.193 1.274 -12.855 63 HE2 LYS 7 HE2 LYS 7 2.701 -1.151 -11.827 64 HE3 LYS 7 HE3 LYS 7 1.877 0.151 -12.687 65 HZ1 LYS 7 HZ1 LYS 7 2.530 -1.599 -14.161 66 HZ2 LYS 7 HZ2 LYS 7 4.107 -1.390 -13.813 67 HZ3 LYS 7 HZ3 LYS 7 3.234 -0.175 -14.574 68 HA PRO 8 HA PRO 8 9.544 4.545 -9.520 69 HB2 PRO 8 HB2 PRO 8 10.683 4.044 -7.034 70 HB3 PRO 8 HB3 PRO 8 9.235 5.069 -7.304 71 HG2 PRO 8 HG2 PRO 8 9.305 2.155 -6.439 72 HG3 PRO 8 HG3 PRO 8 8.371 3.520 -5.783 73 HD2 PRO 8 HD2 PRO 8 7.329 1.740 -7.547 74 HD3 PRO 8 HD3 PRO 8 6.860 3.469 -7.555 75 H THR 9 H THR 9 11.878 4.413 -9.622 76 HA THR 9 HA THR 9 13.066 2.059 -10.598 77 HB THR 9 HB THR 9 13.946 4.315 -10.982 78 HG1 THR 9 HG1 THR 9 16.178 3.741 -10.491 79 HG21 THR 9 HG21 THR 9 13.603 5.239 -8.707 80 HG22 THR 9 HG22 THR 9 15.281 5.455 -9.286 81 HG23 THR 9 HG23 THR 9 14.904 4.192 -8.111 82 HA PRO 10 HA PRO 10 13.628 -0.129 -6.775 83 HB2 PRO 10 HB2 PRO 10 15.717 -1.848 -7.350 84 HB3 PRO 10 HB3 PRO 10 14.034 -2.051 -7.935 85 HG2 PRO 10 HG2 PRO 10 16.375 -0.790 -9.401 86 HG3 PRO 10 HG3 PRO 10 15.220 -2.022 -10.011 87 HD2 PRO 10 HD2 PRO 10 14.906 0.607 -10.567 88 HD3 PRO 10 HD3 PRO 10 13.485 -0.415 -10.205 89 H GLU 11 H GLU 11 16.486 1.502 -8.194 90 HA GLU 11 HA GLU 11 18.257 1.212 -6.042 91 HB2 GLU 11 HB2 GLU 11 17.894 3.293 -8.210 92 HB3 GLU 11 HB3 GLU 11 19.108 3.537 -6.945 93 HG2 GLU 11 HG2 GLU 11 20.117 1.356 -7.406 94 HG3 GLU 11 HG3 GLU 11 18.884 1.027 -8.630 95 H LYS 12 H LYS 12 15.859 3.744 -6.536 96 HA LYS 12 HA LYS 12 16.386 5.308 -4.250 97 HB2 LYS 12 HB2 LYS 12 14.838 5.883 -6.175 98 HB3 LYS 12 HB3 LYS 12 13.677 4.705 -5.570 99 HG2 LYS 12 HG2 LYS 12 12.995 6.925 -4.952 100 HG3 LYS 12 HG3 LYS 12 13.411 6.052 -3.480 101 HD2 LYS 12 HD2 LYS 12 15.316 7.325 -3.103 102 HD3 LYS 12 HD3 LYS 12 15.565 7.655 -4.829 103 HE2 LYS 12 HE2 LYS 12 13.221 8.974 -4.473 104 HE3 LYS 12 HE3 LYS 12 13.874 9.125 -2.834 105 HZ1 LYS 12 HZ1 LYS 12 14.495 10.942 -4.311 106 HZ2 LYS 12 HZ2 LYS 12 15.281 9.925 -5.329 107 HZ3 LYS 12 HZ3 LYS 12 15.850 10.146 -3.811 108 H LEU 13 H LEU 13 14.356 2.397 -4.622 109 HA LEU 13 HA LEU 13 13.118 2.555 -2.035 110 HB2 LEU 13 HB2 LEU 13 13.446 0.434 -4.169 111 HB3 LEU 13 HB3 LEU 13 12.931 -0.043 -2.586 112 HG LEU 13 HG LEU 13 11.092 0.362 -4.256 113 HD11 LEU 13 HD11 LEU 13 10.555 0.415 -1.873 114 HD12 LEU 13 HD12 LEU 13 9.591 1.567 -2.803 115 HD13 LEU 13 HD13 LEU 13 10.935 2.160 -1.813 116 HD21 LEU 13 HD21 LEU 13 10.361 2.720 -4.603 117 HD22 LEU 13 HD22 LEU 13 11.870 2.306 -5.425 118 HD23 LEU 13 HD23 LEU 13 11.894 3.282 -3.934 119 H LYS 14 H LYS 14 16.259 1.421 -3.073 120 HA LYS 14 HA LYS 14 16.814 -0.203 -0.751 121 HB2 LYS 14 HB2 LYS 14 18.922 1.098 -2.478 122 HB3 LYS 14 HB3 LYS 14 18.980 -0.401 -1.543 123 HG2 LYS 14 HG2 LYS 14 16.899 -1.061 -3.122 124 HG3 LYS 14 HG3 LYS 14 17.627 0.204 -4.142 125 HD2 LYS 14 HD2 LYS 14 19.759 -1.082 -4.089 126 HD3 LYS 14 HD3 LYS 14 18.863 -2.345 -3.173 127 HE2 LYS 14 HE2 LYS 14 17.175 -2.418 -5.055 128 HE3 LYS 14 HE3 LYS 14 18.123 -1.201 -5.917 129 HZ1 LYS 14 HZ1 LYS 14 18.939 -3.001 -6.857 130 HZ2 LYS 14 HZ2 LYS 14 18.664 -4.010 -5.566 131 HZ3 LYS 14 HZ3 LYS 14 19.974 -3.003 -5.590 132 H GLU 15 H GLU 15 17.483 3.090 -1.823 133 HA GLU 15 HA GLU 15 19.117 3.956 0.336 134 HB2 GLU 15 HB2 GLU 15 17.262 5.673 -1.375 135 HB3 GLU 15 HB3 GLU 15 18.575 6.248 -0.372 136 HG2 GLU 15 HG2 GLU 15 19.776 4.284 -2.027 137 HG3 GLU 15 HG3 GLU 15 18.601 5.105 -3.052 138 H LEU 16 H LEU 16 15.643 4.203 -0.200 139 HA LEU 16 HA LEU 16 14.911 5.713 2.046 140 HB2 LEU 16 HB2 LEU 16 13.413 3.623 0.417 141 HB3 LEU 16 HB3 LEU 16 12.620 4.650 1.602 142 HG LEU 16 HG LEU 16 14.066 5.649 -0.884 143 HD11 LEU 16 HD11 LEU 16 11.958 4.472 -1.355 144 HD12 LEU 16 HD12 LEU 16 11.799 6.213 -1.653 145 HD13 LEU 16 HD13 LEU 16 11.123 5.503 -0.171 146 HD21 LEU 16 HD21 LEU 16 12.530 7.175 1.219 147 HD22 LEU 16 HD22 LEU 16 13.060 7.810 -0.364 148 HD23 LEU 16 HD23 LEU 16 14.264 7.320 0.813 149 H SER 17 H SER 17 16.104 2.586 2.211 150 HA SER 17 HA SER 17 16.390 1.119 3.908 151 HB2 SER 17 HB2 SER 17 15.295 3.242 5.790 152 HB3 SER 17 HB3 SER 17 16.383 1.899 6.162 153 HG SER 17 HG SER 17 17.745 3.007 4.413 154 H VAL 18 H VAL 18 13.907 1.075 2.454 155 HA VAL 18 HA VAL 18 11.632 0.431 3.993 156 HB VAL 18 HB VAL 18 12.529 -0.772 1.340 157 HG11 VAL 18 HG11 VAL 18 10.119 -1.032 0.891 158 HG12 VAL 18 HG12 VAL 18 10.592 -1.930 2.337 159 HG13 VAL 18 HG13 VAL 18 9.744 -0.381 2.505 160 HG21 VAL 18 HG21 VAL 18 11.003 1.800 1.928 161 HG22 VAL 18 HG22 VAL 18 12.575 1.659 1.132 162 HG23 VAL 18 HG23 VAL 18 11.144 1.052 0.319 163 H GLU 19 H GLU 19 14.570 -1.441 3.234 164 HA GLU 19 HA GLU 19 13.795 -3.959 4.225 165 HB2 GLU 19 HB2 GLU 19 16.220 -4.247 4.712 166 HB3 GLU 19 HB3 GLU 19 15.892 -3.642 3.087 167 HG2 GLU 19 HG2 GLU 19 16.595 -1.395 3.675 168 HG3 GLU 19 HG3 GLU 19 16.633 -1.779 5.388 169 H LYS 20 H LYS 20 14.485 -1.006 6.088 170 HA LYS 20 HA LYS 20 14.651 -2.484 8.624 171 HB2 LYS 20 HB2 LYS 20 14.525 0.532 8.130 172 HB3 LYS 20 HB3 LYS 20 14.891 -0.261 9.655 173 HG2 LYS 20 HG2 LYS 20 16.954 -1.254 8.571 174 HG3 LYS 20 HG3 LYS 20 16.581 -0.237 7.150 175 HD2 LYS 20 HD2 LYS 20 16.654 1.787 8.562 176 HD3 LYS 20 HD3 LYS 20 17.038 0.820 9.990 177 HE2 LYS 20 HE2 LYS 20 18.747 0.730 7.476 178 HE3 LYS 20 HE3 LYS 20 18.953 1.999 8.690 179 HZ1 LYS 20 HZ1 LYS 20 19.224 -0.887 9.292 180 HZ2 LYS 20 HZ2 LYS 20 19.520 0.416 10.301 181 HZ3 LYS 20 HZ3 LYS 20 20.447 0.119 8.986 182 H TRP 21 H TRP 21 12.154 -1.131 6.621 183 HA TRP 21 HA TRP 21 10.563 0.087 8.676 184 HB2 TRP 21 HB2 TRP 21 9.895 -0.893 5.869 185 HB3 TRP 21 HB3 TRP 21 8.797 -0.007 6.871 186 HD1 TRP 21 HD1 TRP 21 12.187 1.498 7.253 187 HE1 TRP 21 HE1 TRP 21 12.449 3.567 5.876 188 HE3 TRP 21 HE3 TRP 21 7.984 1.057 4.314 189 HZ2 TRP 21 HZ2 TRP 21 11.185 4.802 3.607 190 HZ3 TRP 21 HZ3 TRP 21 7.525 2.753 2.544 191 HH2 TRP 21 HH2 TRP 21 9.104 4.667 2.217 192 HA PRO 22 HA PRO 22 8.577 -3.521 10.288 193 HB2 PRO 22 HB2 PRO 22 5.945 -2.780 10.651 194 HB3 PRO 22 HB3 PRO 22 7.300 -2.164 11.645 195 HG2 PRO 22 HG2 PRO 22 6.072 -0.816 9.223 196 HG3 PRO 22 HG3 PRO 22 6.335 -0.121 10.854 197 HD2 PRO 22 HD2 PRO 22 8.149 0.303 8.925 198 HD3 PRO 22 HD3 PRO 22 8.709 -0.155 10.551 199 H ILE 23 H ILE 23 7.997 -5.371 9.414 200 HA ILE 23 HA ILE 23 6.554 -5.538 6.883 201 HB ILE 23 HB ILE 23 7.600 -7.555 8.897 202 HG12 ILE 23 HG12 ILE 23 8.096 -7.048 5.924 203 HG13 ILE 23 HG13 ILE 23 9.155 -6.489 7.207 204 HG21 ILE 23 HG21 ILE 23 6.736 -9.418 7.738 205 HG22 ILE 23 HG22 ILE 23 5.351 -8.399 8.008 206 HG23 ILE 23 HG23 ILE 23 6.119 -8.438 6.409 207 HD11 ILE 23 HD11 ILE 23 9.692 -8.807 7.807 208 HD12 ILE 23 HD12 ILE 23 8.604 -9.399 6.530 209 HD13 ILE 23 HD13 ILE 23 10.026 -8.475 6.084 210 H TRP 24 H TRP 24 4.492 -5.888 6.662 211 HA TRP 24 HA TRP 24 2.797 -6.756 8.879 212 HB2 TRP 24 HB2 TRP 24 2.465 -4.332 8.731 213 HB3 TRP 24 HB3 TRP 24 2.087 -4.470 7.020 214 HD1 TRP 24 HD1 TRP 24 0.600 -4.749 10.443 215 HE1 TRP 24 HE1 TRP 24 -1.951 -5.060 10.264 216 HE3 TRP 24 HE3 TRP 24 0.285 -5.711 5.457 217 HZ2 TRP 24 HZ2 TRP 24 -3.881 -5.718 8.175 218 HZ3 TRP 24 HZ3 TRP 24 -1.903 -5.875 4.363 219 HH2 TRP 24 HH2 TRP 24 -3.981 -5.986 5.714 220 H GLU 25 H GLU 25 1.948 -8.660 8.163 221 HA GLU 25 HA GLU 25 1.309 -8.998 5.297 222 HB2 GLU 25 HB2 GLU 25 1.884 -11.418 5.542 223 HB3 GLU 25 HB3 GLU 25 3.251 -10.291 5.565 224 HG2 GLU 25 HG2 GLU 25 3.748 -10.556 7.789 225 HG3 GLU 25 HG3 GLU 25 2.144 -11.236 8.165 226 H LYS 26 H LYS 26 -0.500 -10.765 5.086 227 HA LYS 26 HA LYS 26 -2.271 -10.941 7.352 228 HB2 LYS 26 HB2 LYS 26 -2.328 -8.489 6.279 229 HB3 LYS 26 HB3 LYS 26 -3.347 -9.270 5.069 230 HG2 LYS 26 HG2 LYS 26 -4.018 -9.697 7.980 231 HG3 LYS 26 HG3 LYS 26 -4.190 -8.074 7.327 232 HD2 LYS 26 HD2 LYS 26 -5.618 -9.058 5.464 233 HD3 LYS 26 HD3 LYS 26 -5.656 -10.539 6.413 234 HE2 LYS 26 HE2 LYS 26 -6.433 -9.137 8.403 235 HE3 LYS 26 HE3 LYS 26 -6.616 -7.785 7.265 236 HZ1 LYS 26 HZ1 LYS 26 -7.938 -10.425 7.142 237 HZ2 LYS 26 HZ2 LYS 26 -8.109 -9.295 5.987 238 HZ3 LYS 26 HZ3 LYS 26 -8.717 -9.013 7.502 239 H GLU 27 H GLU 27 -4.464 -12.072 6.473 240 HA GLU 27 HA GLU 27 -3.678 -14.067 4.575 241 HB2 GLU 27 HB2 GLU 27 -5.259 -13.926 6.771 242 HB3 GLU 27 HB3 GLU 27 -6.471 -13.541 5.589 243 HG2 GLU 27 HG2 GLU 27 -6.724 -15.606 5.038 244 HG3 GLU 27 HG3 GLU 27 -5.019 -15.883 4.701 245 H VAL 28 H VAL 28 -5.755 -14.510 3.229 246 HA VAL 28 HA VAL 28 -6.173 -12.463 1.198 247 HB VAL 28 HB VAL 28 -5.866 -14.823 0.655 248 HG11 VAL 28 HG11 VAL 28 -7.616 -16.516 1.086 249 HG12 VAL 28 HG12 VAL 28 -6.879 -15.958 2.576 250 HG13 VAL 28 HG13 VAL 28 -8.486 -15.361 2.106 251 HG21 VAL 28 HG21 VAL 28 -7.581 -15.108 -0.974 252 HG22 VAL 28 HG22 VAL 28 -8.702 -14.059 -0.063 253 HG23 VAL 28 HG23 VAL 28 -7.253 -13.364 -0.826 254 H SER 29 H SER 29 -7.339 -12.550 4.265 255 HA SER 29 HA SER 29 -10.180 -12.315 3.747 256 HB2 SER 29 HB2 SER 29 -9.988 -11.308 6.184 257 HB3 SER 29 HB3 SER 29 -9.889 -13.060 5.834 258 HG SER 29 HG SER 29 -8.121 -12.888 6.987 259 H GLU 30 H GLU 30 -11.300 -10.649 3.318 260 HA GLU 30 HA GLU 30 -9.916 -8.106 2.751 261 HB2 GLU 30 HB2 GLU 30 -11.695 -7.649 1.287 262 HB3 GLU 30 HB3 GLU 30 -11.282 -9.342 1.088 263 HG2 GLU 30 HG2 GLU 30 -13.454 -9.767 1.181 264 HG3 GLU 30 HG3 GLU 30 -13.368 -9.491 2.918 265 H PHE 31 H PHE 31 -10.898 -6.063 3.330 266 HA PHE 31 HA PHE 31 -12.685 -5.785 5.578 267 HB2 PHE 31 HB2 PHE 31 -10.926 -4.867 7.088 268 HB3 PHE 31 HB3 PHE 31 -10.795 -6.573 6.829 269 HD1 PHE 31 HD1 PHE 31 -8.988 -7.567 5.464 270 HD2 PHE 31 HD2 PHE 31 -9.154 -3.323 6.285 271 HE1 PHE 31 HE1 PHE 31 -6.625 -7.293 4.715 272 HE2 PHE 31 HE2 PHE 31 -6.807 -3.082 5.573 273 HZ PHE 31 HZ PHE 31 -5.560 -5.032 4.733 274 H ASP 32 H ASP 32 -11.688 -3.248 6.346 275 HA ASP 32 HA ASP 32 -11.288 -1.671 3.931 276 HB2 ASP 32 HB2 ASP 32 -13.003 -0.062 4.795 277 HB3 ASP 32 HB3 ASP 32 -13.635 -1.588 4.143 278 H TRP 33 H TRP 33 -10.435 0.507 4.539 279 HA TRP 33 HA TRP 33 -9.252 0.627 7.228 280 HB2 TRP 33 HB2 TRP 33 -7.774 -0.701 5.550 281 HB3 TRP 33 HB3 TRP 33 -7.459 0.860 4.800 282 HD1 TRP 33 HD1 TRP 33 -5.734 2.411 6.049 283 HE1 TRP 33 HE1 TRP 33 -4.373 2.308 8.170 284 HE3 TRP 33 HE3 TRP 33 -7.952 -1.672 8.158 285 HZ2 TRP 33 HZ2 TRP 33 -4.122 0.513 10.472 286 HZ3 TRP 33 HZ3 TRP 33 -7.216 -2.478 10.384 287 HH2 TRP 33 HH2 TRP 33 -5.278 -1.415 11.528 288 H TYR 34 H TYR 34 -8.850 2.616 7.926 289 HA TYR 34 HA TYR 34 -9.301 4.951 6.166 290 HB2 TYR 34 HB2 TYR 34 -10.861 4.835 8.082 291 HB3 TYR 34 HB3 TYR 34 -9.511 4.641 9.190 292 HD1 TYR 34 HD1 TYR 34 -10.726 6.984 6.538 293 HD2 TYR 34 HD2 TYR 34 -8.713 6.585 10.312 294 HE1 TYR 34 HE1 TYR 34 -10.521 9.446 6.649 295 HE2 TYR 34 HE2 TYR 34 -8.555 9.022 10.487 296 HH TYR 34 HH TYR 34 -9.772 11.208 7.874 297 H TYR 35 H TYR 35 -7.589 6.469 6.121 298 HA TYR 35 HA TYR 35 -5.090 5.807 7.617 299 HB2 TYR 35 HB2 TYR 35 -5.398 7.082 4.873 300 HB3 TYR 35 HB3 TYR 35 -3.891 6.916 5.752 301 HD1 TYR 35 HD1 TYR 35 -2.790 4.706 6.023 302 HD2 TYR 35 HD2 TYR 35 -6.495 5.114 3.861 303 HE1 TYR 35 HE1 TYR 35 -2.475 2.449 5.068 304 HE2 TYR 35 HE2 TYR 35 -6.148 2.887 2.829 305 HH TYR 35 HH TYR 35 -3.248 0.868 3.516 306 H ASP 36 H ASP 36 -4.623 7.306 9.090 307 HA ASP 36 HA ASP 36 -6.013 9.921 9.050 308 HB2 ASP 36 HB2 ASP 36 -6.335 9.754 11.297 309 HB3 ASP 36 HB3 ASP 36 -6.517 8.074 10.836 310 H THR 37 H THR 37 -2.995 8.584 8.683 311 HA THR 37 HA THR 37 -1.625 11.146 8.583 312 HB THR 37 HB THR 37 0.435 9.863 9.590 313 HG1 THR 37 HG1 THR 37 -0.581 7.980 10.122 314 HG21 THR 37 HG21 THR 37 -0.188 10.952 11.812 315 HG22 THR 37 HG22 THR 37 -1.762 11.337 11.078 316 HG23 THR 37 HG23 THR 37 -0.299 11.990 10.377 317 H ASN 38 H ASN 38 0.695 10.423 7.435 318 HA ASN 38 HA ASN 38 -0.349 9.405 4.877 319 HB2 ASN 38 HB2 ASN 38 2.497 10.001 5.712 320 HB3 ASN 38 HB3 ASN 38 1.894 9.813 4.064 321 HD21 ASN 38 HD21 ASN 38 2.699 12.041 6.495 322 HD22 ASN 38 HD22 ASN 38 2.067 13.474 5.717 323 H GLU 39 H GLU 39 0.079 7.295 4.131 324 HA GLU 39 HA GLU 39 2.049 5.704 5.662 325 HB2 GLU 39 HB2 GLU 39 -0.152 4.705 6.240 326 HB3 GLU 39 HB3 GLU 39 -0.499 4.483 4.515 327 HG2 GLU 39 HG2 GLU 39 1.586 3.107 4.298 328 HG3 GLU 39 HG3 GLU 39 1.881 3.279 6.026 329 H THR 40 H THR 40 3.712 5.516 4.318 330 HA THR 40 HA THR 40 3.220 5.155 1.407 331 HB THR 40 HB THR 40 5.794 5.723 2.951 332 HG1 THR 40 HG1 THR 40 5.785 7.550 1.623 333 HG21 THR 40 HG21 THR 40 6.945 5.630 0.764 334 HG22 THR 40 HG22 THR 40 5.443 5.109 -0.020 335 HG23 THR 40 HG23 THR 40 6.254 4.064 1.146 336 H CYS 41 H CYS 41 3.308 3.017 0.724 337 HA CYS 41 HA CYS 41 5.010 1.252 2.283 338 HB2 CYS 41 HB2 CYS 41 3.448 -0.619 2.248 339 HB3 CYS 41 HB3 CYS 41 2.853 0.683 3.292 340 HG CYS 41 HG CYS 41 1.305 1.758 1.444 341 H TYR 42 H TYR 42 5.478 -0.724 1.153 342 HA TYR 42 HA TYR 42 5.495 -0.436 -1.806 343 HB2 TYR 42 HB2 TYR 42 7.659 0.217 -0.664 344 HB3 TYR 42 HB3 TYR 42 7.726 -1.395 0.049 345 HD1 TYR 42 HD1 TYR 42 7.402 0.344 -3.272 346 HD2 TYR 42 HD2 TYR 42 8.970 -3.086 -1.121 347 HE1 TYR 42 HE1 TYR 42 8.414 -0.497 -5.356 348 HE2 TYR 42 HE2 TYR 42 9.895 -3.946 -3.263 349 HH TYR 42 HH TYR 42 9.499 -3.725 -5.762 350 H ILE 43 H ILE 43 4.817 -2.299 -2.781 351 HA ILE 43 HA ILE 43 3.774 -4.560 -1.199 352 HB ILE 43 HB ILE 43 3.439 -3.773 -4.141 353 HG12 ILE 43 HG12 ILE 43 2.365 -2.072 -2.739 354 HG13 ILE 43 HG13 ILE 43 1.207 -2.982 -3.672 355 HG21 ILE 43 HG21 ILE 43 3.114 -6.157 -3.870 356 HG22 ILE 43 HG22 ILE 43 2.053 -5.909 -2.470 357 HG23 ILE 43 HG23 ILE 43 1.537 -5.399 -4.106 358 HD11 ILE 43 HD11 ILE 43 0.452 -2.553 -1.339 359 HD12 ILE 43 HD12 ILE 43 0.558 -4.285 -1.674 360 HD13 ILE 43 HD13 ILE 43 1.820 -3.466 -0.738 361 H LEU 44 H LEU 44 5.490 -5.955 -0.777 362 HA LEU 44 HA LEU 44 7.730 -6.194 -2.610 363 HB2 LEU 44 HB2 LEU 44 6.919 -7.556 0.012 364 HB3 LEU 44 HB3 LEU 44 8.353 -7.989 -0.875 365 HG LEU 44 HG LEU 44 8.691 -6.462 1.060 366 HD11 LEU 44 HD11 LEU 44 9.661 -5.450 -1.639 367 HD12 LEU 44 HD12 LEU 44 10.413 -6.713 -0.662 368 HD13 LEU 44 HD13 LEU 44 10.389 -5.034 -0.068 369 HD21 LEU 44 HD21 LEU 44 6.858 -5.056 0.972 370 HD22 LEU 44 HD22 LEU 44 7.397 -4.330 -0.545 371 HD23 LEU 44 HD23 LEU 44 8.372 -4.113 0.917 372 H GLU 45 H GLU 45 4.742 -7.989 -1.964 373 HA GLU 45 HA GLU 45 4.914 -9.707 -4.195 374 HB2 GLU 45 HB2 GLU 45 5.101 -11.845 -2.871 375 HB3 GLU 45 HB3 GLU 45 6.605 -10.942 -2.964 376 HG2 GLU 45 HG2 GLU 45 6.119 -9.996 -0.659 377 HG3 GLU 45 HG3 GLU 45 4.717 -11.062 -0.586 378 H GLY 46 H GLY 46 2.861 -10.798 -4.355 379 HA2 GLY 46 HA2 GLY 46 0.673 -11.410 -3.577 380 HA3 GLY 46 HA3 GLY 46 0.810 -10.258 -2.276 381 H LYS 47 H LYS 47 -1.535 -9.951 -3.303 382 HA LYS 47 HA LYS 47 -1.383 -7.579 -5.083 383 HB2 LYS 47 HB2 LYS 47 -2.241 -10.119 -6.054 384 HB3 LYS 47 HB3 LYS 47 -3.718 -9.240 -5.767 385 HG2 LYS 47 HG2 LYS 47 -1.392 -8.134 -7.406 386 HG3 LYS 47 HG3 LYS 47 -2.755 -8.990 -8.096 387 HD2 LYS 47 HD2 LYS 47 -3.091 -6.430 -6.519 388 HD3 LYS 47 HD3 LYS 47 -2.753 -6.421 -8.214 389 HE2 LYS 47 HE2 LYS 47 -5.183 -7.836 -7.051 390 HE3 LYS 47 HE3 LYS 47 -5.159 -6.135 -7.554 391 HZ1 LYS 47 HZ1 LYS 47 -5.956 -7.512 -9.348 392 HZ2 LYS 47 HZ2 LYS 47 -4.602 -8.438 -9.371 393 HZ3 LYS 47 HZ3 LYS 47 -4.529 -6.875 -9.797 394 H VAL 48 H VAL 48 -3.109 -6.143 -4.763 395 HA VAL 48 HA VAL 48 -5.231 -6.826 -2.826 396 HB VAL 48 HB VAL 48 -3.711 -4.208 -2.734 397 HG11 VAL 48 HG11 VAL 48 -5.984 -4.266 -1.659 398 HG12 VAL 48 HG12 VAL 48 -5.381 -5.518 -0.555 399 HG13 VAL 48 HG13 VAL 48 -4.675 -3.887 -0.570 400 HG21 VAL 48 HG21 VAL 48 -2.572 -5.055 -0.651 401 HG22 VAL 48 HG22 VAL 48 -3.136 -6.690 -1.084 402 HG23 VAL 48 HG23 VAL 48 -2.000 -5.821 -2.136 403 H GLU 49 H GLU 49 -7.138 -5.439 -3.145 404 HA GLU 49 HA GLU 49 -7.088 -3.613 -5.474 405 HB2 GLU 49 HB2 GLU 49 -9.226 -5.564 -4.522 406 HB3 GLU 49 HB3 GLU 49 -9.603 -4.111 -5.457 407 HG2 GLU 49 HG2 GLU 49 -7.901 -4.939 -7.178 408 HG3 GLU 49 HG3 GLU 49 -7.920 -6.480 -6.325 409 H VAL 50 H VAL 50 -7.827 -1.607 -5.009 410 HA VAL 50 HA VAL 50 -9.099 -1.063 -2.392 411 HB VAL 50 HB VAL 50 -6.731 0.447 -3.588 412 HG11 VAL 50 HG11 VAL 50 -8.309 1.918 -2.277 413 HG12 VAL 50 HG12 VAL 50 -7.899 0.920 -0.851 414 HG13 VAL 50 HG13 VAL 50 -6.656 1.832 -1.689 415 HG21 VAL 50 HG21 VAL 50 -6.792 -1.380 -1.182 416 HG22 VAL 50 HG22 VAL 50 -5.867 -1.604 -2.679 417 HG23 VAL 50 HG23 VAL 50 -5.453 -0.291 -1.601 418 H THR 51 H THR 51 -10.959 0.035 -2.789 419 HA THR 51 HA THR 51 -11.286 1.623 -5.256 420 HB THR 51 HB THR 51 -13.377 -0.016 -3.818 421 HG1 THR 51 HG1 THR 51 -11.841 -0.883 -5.478 422 HG21 THR 51 HG21 THR 51 -13.728 1.890 -6.182 423 HG22 THR 51 HG22 THR 51 -14.429 2.077 -4.560 424 HG23 THR 51 HG23 THR 51 -14.963 0.748 -5.583 425 H THR 52 H THR 52 -11.008 3.683 -4.493 426 HA THR 52 HA THR 52 -11.655 4.333 -1.710 427 HB THR 52 HB THR 52 -10.903 6.529 -2.177 428 HG1 THR 52 HG1 THR 52 -10.223 7.097 -4.295 429 HG21 THR 52 HG21 THR 52 -9.123 4.940 -1.780 430 HG22 THR 52 HG22 THR 52 -8.606 6.172 -2.949 431 HG23 THR 52 HG23 THR 52 -9.032 4.545 -3.506 432 H GLU 53 H GLU 53 -13.209 6.327 -1.411 433 HA GLU 53 HA GLU 53 -15.642 4.998 -2.067 434 HB2 GLU 53 HB2 GLU 53 -14.828 6.255 0.115 435 HB3 GLU 53 HB3 GLU 53 -15.430 7.705 -0.708 436 HG2 GLU 53 HG2 GLU 53 -17.243 6.943 0.600 437 HG3 GLU 53 HG3 GLU 53 -17.586 6.429 -1.057 438 H ASP 54 H ASP 54 -14.073 7.474 -3.479 439 HA ASP 54 HA ASP 54 -15.908 8.821 -5.211 440 HB2 ASP 54 HB2 ASP 54 -13.113 7.714 -5.730 441 HB3 ASP 54 HB3 ASP 54 -13.971 8.806 -6.815 442 H GLY 55 H GLY 55 -15.013 5.432 -5.061 443 HA2 GLY 55 HA2 GLY 55 -15.755 3.637 -6.340 444 HA3 GLY 55 HA3 GLY 55 -16.439 4.738 -7.543 445 H LYS 56 H LYS 56 -13.289 5.754 -6.682 446 HA LYS 56 HA LYS 56 -12.239 5.083 -9.337 447 HB2 LYS 56 HB2 LYS 56 -10.987 6.364 -6.874 448 HB3 LYS 56 HB3 LYS 56 -10.156 6.136 -8.424 449 HG2 LYS 56 HG2 LYS 56 -11.581 7.571 -9.620 450 HG3 LYS 56 HG3 LYS 56 -12.749 7.610 -8.306 451 HD2 LYS 56 HD2 LYS 56 -11.039 8.701 -6.843 452 HD3 LYS 56 HD3 LYS 56 -9.958 8.765 -8.252 453 HE2 LYS 56 HE2 LYS 56 -11.336 10.302 -9.407 454 HE3 LYS 56 HE3 LYS 56 -12.766 9.882 -8.457 455 HZ1 LYS 56 HZ1 LYS 56 -11.790 11.049 -6.570 456 HZ2 LYS 56 HZ2 LYS 56 -11.965 12.034 -7.842 457 HZ3 LYS 56 HZ3 LYS 56 -10.476 11.486 -7.502 458 H LYS 57 H LYS 57 -10.483 3.635 -9.705 459 HA LYS 57 HA LYS 57 -10.423 1.400 -7.698 460 HB2 LYS 57 HB2 LYS 57 -10.560 1.424 -10.723 461 HB3 LYS 57 HB3 LYS 57 -9.639 0.162 -9.930 462 HG2 LYS 57 HG2 LYS 57 -11.870 -0.639 -10.316 463 HG3 LYS 57 HG3 LYS 57 -11.566 -0.502 -8.575 464 HD2 LYS 57 HD2 LYS 57 -12.903 1.512 -8.429 465 HD3 LYS 57 HD3 LYS 57 -12.960 1.666 -10.190 466 HE2 LYS 57 HE2 LYS 57 -15.079 0.926 -9.568 467 HE3 LYS 57 HE3 LYS 57 -14.275 -0.484 -10.274 468 HZ1 LYS 57 HZ1 LYS 57 -14.422 -0.002 -7.358 469 HZ2 LYS 57 HZ2 LYS 57 -13.986 -1.392 -8.091 470 HZ3 LYS 57 HZ3 LYS 57 -15.544 -0.866 -8.213 471 H TYR 58 H TYR 58 -8.490 0.484 -7.135 472 HA TYR 58 HA TYR 58 -6.073 1.406 -8.461 473 HB2 TYR 58 HB2 TYR 58 -6.440 1.437 -5.448 474 HB3 TYR 58 HB3 TYR 58 -4.994 1.879 -6.320 475 HD1 TYR 58 HD1 TYR 58 -8.531 2.838 -5.615 476 HD2 TYR 58 HD2 TYR 58 -4.738 4.216 -7.136 477 HE1 TYR 58 HE1 TYR 58 -9.425 5.113 -5.798 478 HE2 TYR 58 HE2 TYR 58 -5.589 6.508 -7.216 479 HH TYR 58 HH TYR 58 -7.757 7.830 -7.277 480 H VAL 59 H VAL 59 -4.632 -0.234 -8.653 481 HA VAL 59 HA VAL 59 -5.195 -2.941 -7.492 482 HB VAL 59 HB VAL 59 -4.934 -2.177 -10.434 483 HG11 VAL 59 HG11 VAL 59 -5.030 -4.884 -9.088 484 HG12 VAL 59 HG12 VAL 59 -5.130 -4.623 -10.844 485 HG13 VAL 59 HG13 VAL 59 -3.644 -4.229 -9.978 486 HG21 VAL 59 HG21 VAL 59 -7.108 -3.343 -10.652 487 HG22 VAL 59 HG22 VAL 59 -7.202 -3.477 -8.879 488 HG23 VAL 59 HG23 VAL 59 -7.208 -1.875 -9.659 489 H ILE 60 H ILE 60 -3.316 -3.535 -6.576 490 HA ILE 60 HA ILE 60 -0.811 -2.258 -7.536 491 HB ILE 60 HB ILE 60 -0.158 -2.164 -5.154 492 HG12 ILE 60 HG12 ILE 60 -3.108 -2.715 -4.604 493 HG13 ILE 60 HG13 ILE 60 -1.721 -3.658 -4.055 494 HG21 ILE 60 HG21 ILE 60 -2.534 -0.456 -5.870 495 HG22 ILE 60 HG22 ILE 60 -1.144 -0.054 -4.863 496 HG23 ILE 60 HG23 ILE 60 -0.926 -0.278 -6.565 497 HD11 ILE 60 HD11 ILE 60 -0.954 -1.582 -2.808 498 HD12 ILE 60 HD12 ILE 60 -2.554 -0.895 -3.148 499 HD13 ILE 60 HD13 ILE 60 -2.415 -2.369 -2.183 500 H GLU 61 H GLU 61 0.290 -3.730 -8.505 501 HA GLU 61 HA GLU 61 0.486 -6.462 -7.401 502 HB2 GLU 61 HB2 GLU 61 1.599 -5.242 -9.964 503 HB3 GLU 61 HB3 GLU 61 1.715 -6.917 -9.437 504 HG2 GLU 61 HG2 GLU 61 -0.029 -7.312 -10.726 505 HG3 GLU 61 HG3 GLU 61 -0.979 -6.673 -9.415 506 H LYS 62 H LYS 62 2.809 -7.247 -7.721 507 HA LYS 62 HA LYS 62 4.556 -6.284 -5.764 508 HB2 LYS 62 HB2 LYS 62 4.410 -8.530 -6.831 509 HB3 LYS 62 HB3 LYS 62 5.156 -7.894 -8.298 510 HG2 LYS 62 HG2 LYS 62 7.266 -7.582 -7.210 511 HG3 LYS 62 HG3 LYS 62 6.530 -7.712 -5.602 512 HD2 LYS 62 HD2 LYS 62 5.902 -10.090 -6.098 513 HD3 LYS 62 HD3 LYS 62 6.715 -9.983 -7.649 514 HE2 LYS 62 HE2 LYS 62 8.345 -9.212 -5.265 515 HE3 LYS 62 HE3 LYS 62 7.812 -10.892 -5.279 516 HZ1 LYS 62 HZ1 LYS 62 8.935 -11.214 -7.340 517 HZ2 LYS 62 HZ2 LYS 62 9.938 -10.537 -6.238 518 HZ3 LYS 62 HZ3 LYS 62 9.326 -9.593 -7.458 519 H GLY 63 H GLY 63 5.392 -4.268 -5.704 520 HA2 GLY 63 HA2 GLY 63 7.250 -2.969 -6.363 521 HA3 GLY 63 HA3 GLY 63 6.920 -3.274 -8.063 522 H ASP 64 H ASP 64 3.832 -2.606 -7.115 523 HA ASP 64 HA ASP 64 3.955 0.164 -7.995 524 HB2 ASP 64 HB2 ASP 64 1.754 -1.663 -6.965 525 HB3 ASP 64 HB3 ASP 64 1.496 0.058 -7.249 526 H LEU 65 H LEU 65 4.829 1.657 -6.594 527 HA LEU 65 HA LEU 65 4.820 1.290 -3.686 528 HB2 LEU 65 HB2 LEU 65 6.731 2.351 -4.826 529 HB3 LEU 65 HB3 LEU 65 5.648 3.565 -5.522 530 HG LEU 65 HG LEU 65 5.094 4.236 -3.055 531 HD11 LEU 65 HD11 LEU 65 7.687 2.717 -2.573 532 HD12 LEU 65 HD12 LEU 65 6.114 2.174 -2.049 533 HD13 LEU 65 HD13 LEU 65 6.756 3.646 -1.368 534 HD21 LEU 65 HD21 LEU 65 6.407 5.549 -4.651 535 HD22 LEU 65 HD22 LEU 65 7.873 4.747 -4.103 536 HD23 LEU 65 HD23 LEU 65 6.924 5.758 -2.982 537 H VAL 66 H VAL 66 3.420 2.419 -2.278 538 HA VAL 66 HA VAL 66 1.323 4.108 -3.555 539 HB VAL 66 HB VAL 66 0.993 2.095 -1.283 540 HG11 VAL 66 HG11 VAL 66 -1.076 3.605 -2.922 541 HG12 VAL 66 HG12 VAL 66 -1.415 2.408 -1.671 542 HG13 VAL 66 HG13 VAL 66 -0.666 3.941 -1.234 543 HG21 VAL 66 HG21 VAL 66 -0.353 0.782 -2.979 544 HG22 VAL 66 HG22 VAL 66 0.335 1.815 -4.247 545 HG23 VAL 66 HG23 VAL 66 1.382 0.765 -3.280 546 H THR 67 H THR 67 0.778 5.933 -2.471 547 HA THR 67 HA THR 67 1.558 6.142 0.345 548 HB THR 67 HB THR 67 1.813 8.394 -1.654 549 HG1 THR 67 HG1 THR 67 3.754 7.238 0.072 550 HG21 THR 67 HG21 THR 67 0.916 9.274 0.473 551 HG22 THR 67 HG22 THR 67 2.616 9.742 0.320 552 HG23 THR 67 HG23 THR 67 2.153 8.399 1.392 553 H PHE 68 H PHE 68 -0.274 6.245 1.444 554 HA PHE 68 HA PHE 68 -2.771 7.330 0.263 555 HB2 PHE 68 HB2 PHE 68 -2.268 5.832 2.877 556 HB3 PHE 68 HB3 PHE 68 -3.815 6.492 2.368 557 HD1 PHE 68 HD1 PHE 68 -4.774 5.666 0.078 558 HD2 PHE 68 HD2 PHE 68 -1.748 3.586 2.316 559 HE1 PHE 68 HE1 PHE 68 -5.256 3.607 -1.203 560 HE2 PHE 68 HE2 PHE 68 -2.177 1.543 0.988 561 HZ PHE 68 HZ PHE 68 -3.938 1.527 -0.758 562 HA PRO 69 HA PRO 69 -1.535 10.912 2.538 563 HB2 PRO 69 HB2 PRO 69 -3.714 12.506 2.409 564 HB3 PRO 69 HB3 PRO 69 -2.965 11.916 0.892 565 HG2 PRO 69 HG2 PRO 69 -5.289 10.672 2.410 566 HG3 PRO 69 HG3 PRO 69 -5.234 11.219 0.713 567 HD2 PRO 69 HD2 PRO 69 -4.700 8.605 1.432 568 HD3 PRO 69 HD3 PRO 69 -3.831 9.396 0.078 569 H LYS 70 H LYS 70 -2.461 12.437 4.144 570 HA LYS 70 HA LYS 70 -3.279 11.081 6.662 571 HB2 LYS 70 HB2 LYS 70 -1.417 12.689 6.712 572 HB3 LYS 70 HB3 LYS 70 -2.440 13.961 6.065 573 HG2 LYS 70 HG2 LYS 70 -3.774 14.029 8.131 574 HG3 LYS 70 HG3 LYS 70 -2.958 12.583 8.733 575 HD2 LYS 70 HD2 LYS 70 -0.800 13.739 8.677 576 HD3 LYS 70 HD3 LYS 70 -1.592 15.239 8.248 577 HE2 LYS 70 HE2 LYS 70 -2.552 13.715 10.691 578 HE3 LYS 70 HE3 LYS 70 -0.962 14.482 10.761 579 HZ1 LYS 70 HZ1 LYS 70 -2.267 16.580 9.992 580 HZ2 LYS 70 HZ2 LYS 70 -2.221 16.106 11.548 581 HZ3 LYS 70 HZ3 LYS 70 -3.557 15.820 10.676 582 H GLY 71 H GLY 71 -5.331 10.419 5.796 583 HA2 GLY 71 HA2 GLY 71 -7.584 11.112 6.573 584 HA3 GLY 71 HA3 GLY 71 -7.371 12.579 5.609 585 H LEU 72 H LEU 72 -7.651 9.011 5.364 586 HA LEU 72 HA LEU 72 -9.189 9.322 2.859 587 HB2 LEU 72 HB2 LEU 72 -6.945 9.131 2.043 588 HB3 LEU 72 HB3 LEU 72 -6.669 7.640 2.956 589 HG LEU 72 HG LEU 72 -9.070 7.763 1.128 590 HD11 LEU 72 HD11 LEU 72 -7.722 7.128 -0.823 591 HD12 LEU 72 HD12 LEU 72 -6.232 7.339 0.131 592 HD13 LEU 72 HD13 LEU 72 -7.262 8.737 -0.243 593 HD21 LEU 72 HD21 LEU 72 -7.032 5.592 1.713 594 HD22 LEU 72 HD22 LEU 72 -8.424 5.450 0.629 595 HD23 LEU 72 HD23 LEU 72 -8.682 5.711 2.357 596 H ARG 73 H ARG 73 -10.974 8.117 3.051 597 HA ARG 73 HA ARG 73 -10.934 5.686 4.789 598 HB2 ARG 73 HB2 ARG 73 -12.375 7.858 5.179 599 HB3 ARG 73 HB3 ARG 73 -13.371 7.284 3.873 600 HG2 ARG 73 HG2 ARG 73 -12.795 5.527 6.308 601 HG3 ARG 73 HG3 ARG 73 -13.951 6.846 6.380 602 HD2 ARG 73 HD2 ARG 73 -15.355 5.132 5.883 603 HD3 ARG 73 HD3 ARG 73 -15.052 5.779 4.272 604 HE ARG 73 HE ARG 73 -13.281 3.601 5.179 605 HH11 ARG 73 HH11 ARG 73 -16.677 4.065 4.162 606 HH12 ARG 73 HH12 ARG 73 -16.703 2.601 3.293 607 HH21 ARG 73 HH21 ARG 73 -13.410 1.659 4.119 608 HH22 ARG 73 HH22 ARG 73 -15.024 1.058 4.050 609 H CYS 74 H CYS 74 -10.812 3.752 3.596 610 HA CYS 74 HA CYS 74 -12.482 3.535 1.170 611 HB2 CYS 74 HB2 CYS 74 -10.808 2.919 -0.244 612 HB3 CYS 74 HB3 CYS 74 -10.348 4.468 0.447 613 HG CYS 74 HG CYS 74 -8.990 3.080 2.532 614 H ARG 75 H ARG 75 -12.139 1.204 0.211 615 HA ARG 75 HA ARG 75 -12.433 -0.774 2.353 616 HB2 ARG 75 HB2 ARG 75 -13.445 -0.512 -0.319 617 HB3 ARG 75 HB3 ARG 75 -12.328 -1.845 -0.397 618 HG2 ARG 75 HG2 ARG 75 -14.003 -3.099 0.366 619 HG3 ARG 75 HG3 ARG 75 -13.661 -2.458 1.962 620 HD2 ARG 75 HD2 ARG 75 -15.757 -1.796 -0.026 621 HD3 ARG 75 HD3 ARG 75 -15.974 -2.212 1.672 622 HE ARG 75 HE ARG 75 -14.813 0.440 0.797 623 HH11 ARG 75 HH11 ARG 75 -17.300 -1.187 2.791 624 HH12 ARG 75 HH12 ARG 75 -18.449 0.103 2.599 625 HH21 ARG 75 HH21 ARG 75 -16.268 2.243 0.819 626 HH22 ARG 75 HH22 ARG 75 -17.809 2.066 1.518 627 H TRP 76 H TRP 76 -11.278 -3.076 1.691 628 HA TRP 76 HA TRP 76 -8.718 -2.733 0.402 629 HB2 TRP 76 HB2 TRP 76 -8.779 -2.360 3.306 630 HB3 TRP 76 HB3 TRP 76 -7.861 -3.792 2.895 631 HD1 TRP 76 HD1 TRP 76 -7.856 -0.018 2.095 632 HE1 TRP 76 HE1 TRP 76 -5.560 0.640 1.179 633 HE3 TRP 76 HE3 TRP 76 -5.510 -4.546 2.466 634 HZ2 TRP 76 HZ2 TRP 76 -2.981 -0.586 0.848 635 HZ3 TRP 76 HZ3 TRP 76 -3.094 -4.707 2.064 636 HH2 TRP 76 HH2 TRP 76 -1.806 -2.739 1.213 637 H LYS 77 H LYS 77 -9.080 -4.470 -0.934 638 HA LYS 77 HA LYS 77 -9.879 -7.024 0.369 639 HB2 LYS 77 HB2 LYS 77 -11.413 -6.184 -1.365 640 HB3 LYS 77 HB3 LYS 77 -10.105 -6.244 -2.558 641 HG2 LYS 77 HG2 LYS 77 -9.886 -8.643 -2.296 642 HG3 LYS 77 HG3 LYS 77 -10.951 -8.650 -0.904 643 HD2 LYS 77 HD2 LYS 77 -12.842 -7.871 -2.409 644 HD3 LYS 77 HD3 LYS 77 -11.729 -8.145 -3.769 645 HE2 LYS 77 HE2 LYS 77 -11.388 -10.520 -2.662 646 HE3 LYS 77 HE3 LYS 77 -12.851 -10.156 -1.765 647 HZ1 LYS 77 HZ1 LYS 77 -12.587 -10.323 -4.709 648 HZ2 LYS 77 HZ2 LYS 77 -13.960 -9.868 -3.973 649 HZ3 LYS 77 HZ3 LYS 77 -13.400 -11.375 -3.709 650 H VAL 78 H VAL 78 -8.191 -8.377 0.773 651 HA VAL 78 HA VAL 78 -5.675 -8.095 -0.688 652 HB VAL 78 HB VAL 78 -6.446 -10.218 1.365 653 HG11 VAL 78 HG11 VAL 78 -3.868 -8.967 0.405 654 HG12 VAL 78 HG12 VAL 78 -3.967 -10.037 1.830 655 HG13 VAL 78 HG13 VAL 78 -4.466 -10.635 0.255 656 HG21 VAL 78 HG21 VAL 78 -5.426 -8.725 3.134 657 HG22 VAL 78 HG22 VAL 78 -5.571 -7.359 1.981 658 HG23 VAL 78 HG23 VAL 78 -7.010 -8.203 2.573 659 H LEU 79 H LEU 79 -5.644 -9.187 -2.629 660 HA LEU 79 HA LEU 79 -7.638 -11.392 -2.976 661 HB2 LEU 79 HB2 LEU 79 -5.908 -9.952 -5.008 662 HB3 LEU 79 HB3 LEU 79 -6.884 -11.385 -5.347 663 HG LEU 79 HG LEU 79 -7.953 -8.683 -4.391 664 HD11 LEU 79 HD11 LEU 79 -7.231 -8.795 -6.796 665 HD12 LEU 79 HD12 LEU 79 -8.972 -8.520 -6.575 666 HD13 LEU 79 HD13 LEU 79 -8.403 -10.114 -7.009 667 HD21 LEU 79 HD21 LEU 79 -9.432 -10.470 -3.517 668 HD22 LEU 79 HD22 LEU 79 -9.444 -11.265 -5.103 669 HD23 LEU 79 HD23 LEU 79 -10.210 -9.678 -4.890 670 H GLU 80 H GLU 80 -4.222 -10.748 -2.355 671 HA GLU 80 HA GLU 80 -3.928 -13.673 -2.099 672 HB2 GLU 80 HB2 GLU 80 -2.293 -11.791 -3.870 673 HB3 GLU 80 HB3 GLU 80 -1.545 -13.240 -3.248 674 HG2 GLU 80 HG2 GLU 80 -4.126 -13.312 -4.886 675 HG3 GLU 80 HG3 GLU 80 -2.528 -13.310 -5.594 676 HA PRO 81 HA PRO 81 -1.860 -12.550 1.595 677 HB2 PRO 81 HB2 PRO 81 0.094 -14.468 1.895 678 HB3 PRO 81 HB3 PRO 81 -1.652 -14.773 2.142 679 HG2 PRO 81 HG2 PRO 81 -0.010 -15.311 -0.341 680 HG3 PRO 81 HG3 PRO 81 -1.158 -16.413 0.480 681 HD2 PRO 81 HD2 PRO 81 -1.895 -14.964 -1.679 682 HD3 PRO 81 HD3 PRO 81 -3.031 -15.191 -0.317 683 H VAL 82 H VAL 82 -0.759 -10.774 1.632 684 HA VAL 82 HA VAL 82 1.462 -10.303 -0.267 685 HB VAL 82 HB VAL 82 -0.715 -9.329 -0.951 686 HG11 VAL 82 HG11 VAL 82 -1.891 -7.703 0.355 687 HG12 VAL 82 HG12 VAL 82 -1.670 -9.122 1.371 688 HG13 VAL 82 HG13 VAL 82 -0.617 -7.698 1.583 689 HG21 VAL 82 HG21 VAL 82 1.295 -7.210 -0.120 690 HG22 VAL 82 HG22 VAL 82 0.993 -7.905 -1.734 691 HG23 VAL 82 HG23 VAL 82 -0.199 -6.857 -1.016 692 H ARG 83 H ARG 83 3.156 -9.124 0.412 693 HA ARG 83 HA ARG 83 3.287 -8.367 3.305 694 HB2 ARG 83 HB2 ARG 83 5.169 -9.843 1.507 695 HB3 ARG 83 HB3 ARG 83 5.906 -8.569 2.473 696 HG2 ARG 83 HG2 ARG 83 5.123 -9.502 4.517 697 HG3 ARG 83 HG3 ARG 83 4.120 -10.719 3.718 698 HD2 ARG 83 HD2 ARG 83 6.045 -11.932 2.940 699 HD3 ARG 83 HD3 ARG 83 7.130 -10.607 3.374 700 HE ARG 83 HE ARG 83 5.527 -11.943 5.480 701 HH11 ARG 83 HH11 ARG 83 8.775 -11.601 4.138 702 HH12 ARG 83 HH12 ARG 83 9.571 -11.741 5.690 703 HH21 ARG 83 HH21 ARG 83 6.456 -12.252 7.373 704 HH22 ARG 83 HH22 ARG 83 8.166 -12.017 7.675 705 H LYS 84 H LYS 84 3.010 -6.205 3.418 706 HA LYS 84 HA LYS 84 4.602 -4.674 1.472 707 HB2 LYS 84 HB2 LYS 84 3.128 -3.027 1.110 708 HB3 LYS 84 HB3 LYS 84 2.015 -4.363 1.302 709 HG2 LYS 84 HG2 LYS 84 2.615 -2.168 3.322 710 HG3 LYS 84 HG3 LYS 84 1.214 -2.291 2.252 711 HD2 LYS 84 HD2 LYS 84 0.873 -4.577 3.538 712 HD3 LYS 84 HD3 LYS 84 1.896 -3.773 4.743 713 HE2 LYS 84 HE2 LYS 84 -0.664 -2.551 3.551 714 HE3 LYS 84 HE3 LYS 84 -0.671 -3.537 5.002 715 HZ1 LYS 84 HZ1 LYS 84 0.878 -1.870 5.996 716 HZ2 LYS 84 HZ2 LYS 84 -0.629 -1.334 5.692 717 HZ3 LYS 84 HZ3 LYS 84 0.555 -0.867 4.724 718 H HIS 85 H HIS 85 6.024 -3.435 2.190 719 HA HIS 85 HA HIS 85 6.704 -3.346 5.095 720 HB2 HIS 85 HB2 HIS 85 8.160 -2.655 2.510 721 HB3 HIS 85 HB3 HIS 85 8.576 -1.772 3.951 722 HD1 HIS 85 HD1 HIS 85 9.829 -4.787 2.286 723 HD2 HIS 85 HD2 HIS 85 9.067 -3.477 6.207 724 HE1 HIS 85 HE1 HIS 85 11.200 -6.273 3.852 725 H TYR 86 H TYR 86 5.885 -1.460 6.196 726 HA TYR 86 HA TYR 86 4.878 0.768 4.475 727 HB2 TYR 86 HB2 TYR 86 2.955 0.984 5.787 728 HB3 TYR 86 HB3 TYR 86 3.033 -0.716 5.347 729 HD1 TYR 86 HD1 TYR 86 3.970 -2.375 7.197 730 HD2 TYR 86 HD2 TYR 86 2.790 1.707 7.998 731 HE1 TYR 86 HE1 TYR 86 3.847 -2.874 9.613 732 HE2 TYR 86 HE2 TYR 86 2.655 1.197 10.408 733 HH TYR 86 HH TYR 86 3.093 -0.344 12.048 734 H ASN 87 H ASN 87 4.807 2.888 5.577 735 HA ASN 87 HA ASN 87 6.006 2.932 8.234 736 HB2 ASN 87 HB2 ASN 87 7.829 3.495 6.385 737 HB3 ASN 87 HB3 ASN 87 6.952 5.007 6.236 738 HD21 ASN 87 HD21 ASN 87 9.167 5.866 7.024 739 HD22 ASN 87 HD22 ASN 87 9.365 5.988 8.761 740 H LEU 88 H LEU 88 5.341 4.833 9.403 741 HA LEU 88 HA LEU 88 2.954 6.204 8.255 742 HB2 LEU 88 HB2 LEU 88 3.604 5.694 11.180 743 HB3 LEU 88 HB3 LEU 88 2.131 6.397 10.544 744 HG LEU 88 HG LEU 88 3.076 3.516 10.190 745 HD11 LEU 88 HD11 LEU 88 1.160 2.956 11.644 746 HD12 LEU 88 HD12 LEU 88 0.726 4.668 11.766 747 HD13 LEU 88 HD13 LEU 88 2.241 4.093 12.469 748 HD21 LEU 88 HD21 LEU 88 0.318 4.470 9.371 749 HD22 LEU 88 HD22 LEU 88 1.091 2.937 9.077 750 HD23 LEU 88 HD23 LEU 88 1.677 4.353 8.212 751 H PHE 89 H PHE 89 3.102 8.484 8.153 752 HA PHE 89 HA PHE 89 5.028 9.984 9.610 753 HB2 PHE 89 HB2 PHE 89 6.540 10.563 7.923 754 HB3 PHE 89 HB3 PHE 89 6.537 8.813 7.935 755 HD1 PHE 89 HD1 PHE 89 4.430 7.905 6.167 756 HD2 PHE 89 HD2 PHE 89 6.842 11.470 5.814 757 HE1 PHE 89 HE1 PHE 89 3.902 8.050 3.768 758 HE2 PHE 89 HE2 PHE 89 6.416 11.516 3.383 759 HZ PHE 89 HZ PHE 89 4.904 9.832 2.355 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -1.030 13.348 -1.582 2 HA MET 1 HA MET 1 -2.765 15.036 -1.251 3 HB2 MET 1 HB2 MET 1 -1.831 15.893 -4.016 4 HB3 MET 1 HB3 MET 1 -3.426 16.305 -3.376 5 HG2 MET 1 HG2 MET 1 -2.409 17.465 -1.468 6 HG3 MET 1 HG3 MET 1 -0.799 17.073 -2.061 7 HE1 MET 1 HE1 MET 1 -1.069 19.938 -1.377 8 HE2 MET 1 HE2 MET 1 0.283 19.374 -2.373 9 HE3 MET 1 HE3 MET 1 -0.621 20.820 -2.853 10 H GLU 2 H GLU 2 -4.537 13.785 -1.265 11 HA GLU 2 HA GLU 2 -5.784 11.932 -1.573 12 HB2 GLU 2 HB2 GLU 2 -6.091 13.117 -3.943 13 HB3 GLU 2 HB3 GLU 2 -5.180 11.716 -4.505 14 HG2 GLU 2 HG2 GLU 2 -6.945 10.305 -3.188 15 HG3 GLU 2 HG3 GLU 2 -7.875 11.791 -3.091 16 H VAL 3 H VAL 3 -5.405 9.590 -2.981 17 HA VAL 3 HA VAL 3 -2.879 8.554 -1.913 18 HB VAL 3 HB VAL 3 -4.778 7.167 -1.595 19 HG11 VAL 3 HG11 VAL 3 -5.478 7.500 -4.482 20 HG12 VAL 3 HG12 VAL 3 -6.175 6.257 -3.392 21 HG13 VAL 3 HG13 VAL 3 -6.413 7.956 -3.041 22 HG21 VAL 3 HG21 VAL 3 -4.149 5.090 -2.616 23 HG22 VAL 3 HG22 VAL 3 -3.320 5.917 -3.951 24 HG23 VAL 3 HG23 VAL 3 -2.679 6.005 -2.290 25 H LYS 4 H LYS 4 -1.222 7.808 -3.236 26 HA LYS 4 HA LYS 4 -1.365 8.429 -6.125 27 HB2 LYS 4 HB2 LYS 4 0.277 9.737 -4.140 28 HB3 LYS 4 HB3 LYS 4 1.356 8.648 -4.983 29 HG2 LYS 4 HG2 LYS 4 -0.475 10.735 -6.247 30 HG3 LYS 4 HG3 LYS 4 1.259 10.933 -5.951 31 HD2 LYS 4 HD2 LYS 4 1.776 9.139 -7.559 32 HD3 LYS 4 HD3 LYS 4 0.036 8.876 -7.845 33 HE2 LYS 4 HE2 LYS 4 -0.197 11.273 -8.501 34 HE3 LYS 4 HE3 LYS 4 1.559 11.465 -8.338 35 HZ1 LYS 4 HZ1 LYS 4 0.209 9.612 -10.200 36 HZ2 LYS 4 HZ2 LYS 4 1.845 9.859 -10.090 37 HZ3 LYS 4 HZ3 LYS 4 0.858 11.066 -10.605 38 H ILE 5 H ILE 5 -0.247 6.871 -7.404 39 HA ILE 5 HA ILE 5 1.206 4.715 -6.043 40 HB ILE 5 HB ILE 5 -0.762 4.456 -8.361 41 HG12 ILE 5 HG12 ILE 5 -0.689 2.858 -5.780 42 HG13 ILE 5 HG13 ILE 5 -1.671 4.308 -5.972 43 HG21 ILE 5 HG21 ILE 5 -0.008 2.042 -8.480 44 HG22 ILE 5 HG22 ILE 5 1.210 3.199 -8.960 45 HG23 ILE 5 HG23 ILE 5 1.299 2.450 -7.348 46 HD11 ILE 5 HD11 ILE 5 -2.920 3.268 -7.823 47 HD12 ILE 5 HD12 ILE 5 -1.985 1.772 -7.631 48 HD13 ILE 5 HD13 ILE 5 -3.022 2.322 -6.318 49 H GLU 6 H GLU 6 3.192 4.348 -7.099 50 HA GLU 6 HA GLU 6 3.580 4.964 -9.802 51 HB2 GLU 6 HB2 GLU 6 5.605 6.465 -9.406 52 HB3 GLU 6 HB3 GLU 6 3.980 7.133 -9.438 53 HG2 GLU 6 HG2 GLU 6 4.005 7.239 -6.925 54 HG3 GLU 6 HG3 GLU 6 5.705 6.746 -6.976 55 H LYS 7 H LYS 7 6.186 4.670 -10.228 56 HA LYS 7 HA LYS 7 6.765 2.150 -8.806 57 HB2 LYS 7 HB2 LYS 7 7.623 2.425 -11.625 58 HB3 LYS 7 HB3 LYS 7 7.277 1.006 -10.623 59 HG2 LYS 7 HG2 LYS 7 5.206 2.860 -11.829 60 HG3 LYS 7 HG3 LYS 7 5.664 1.245 -12.375 61 HD2 LYS 7 HD2 LYS 7 4.321 0.208 -10.895 62 HD3 LYS 7 HD3 LYS 7 4.960 1.178 -9.582 63 HE2 LYS 7 HE2 LYS 7 2.636 1.658 -9.679 64 HE3 LYS 7 HE3 LYS 7 3.457 3.080 -10.278 65 HZ1 LYS 7 HZ1 LYS 7 1.486 2.292 -11.578 66 HZ2 LYS 7 HZ2 LYS 7 2.343 1.005 -12.041 67 HZ3 LYS 7 HZ3 LYS 7 2.841 2.530 -12.485 68 HA PRO 8 HA PRO 8 9.929 5.309 -7.987 69 HB2 PRO 8 HB2 PRO 8 10.728 4.522 -5.486 70 HB3 PRO 8 HB3 PRO 8 9.185 5.338 -5.817 71 HG2 PRO 8 HG2 PRO 8 9.624 2.369 -5.333 72 HG3 PRO 8 HG3 PRO 8 8.362 3.456 -4.805 73 HD2 PRO 8 HD2 PRO 8 8.159 1.820 -7.042 74 HD3 PRO 8 HD3 PRO 8 7.153 3.251 -6.778 75 H THR 9 H THR 9 10.457 2.117 -8.647 76 HA THR 9 HA THR 9 12.037 0.703 -9.005 77 HB THR 9 HB THR 9 12.723 1.784 -10.782 78 HG1 THR 9 HG1 THR 9 14.931 1.557 -10.885 79 HG21 THR 9 HG21 THR 9 14.273 3.697 -10.955 80 HG22 THR 9 HG22 THR 9 14.184 3.873 -9.184 81 HG23 THR 9 HG23 THR 9 12.733 4.096 -10.179 82 HA PRO 10 HA PRO 10 13.922 -0.348 -5.309 83 HB2 PRO 10 HB2 PRO 10 15.975 -2.069 -6.093 84 HB3 PRO 10 HB3 PRO 10 14.247 -2.499 -5.931 85 HG2 PRO 10 HG2 PRO 10 15.716 -1.626 -8.443 86 HG3 PRO 10 HG3 PRO 10 14.575 -3.001 -8.247 87 HD2 PRO 10 HD2 PRO 10 13.671 -0.773 -9.295 88 HD3 PRO 10 HD3 PRO 10 12.728 -1.545 -8.002 89 H GLU 11 H GLU 11 15.804 1.278 -7.773 90 HA GLU 11 HA GLU 11 18.132 2.064 -6.414 91 HB2 GLU 11 HB2 GLU 11 16.181 3.611 -8.169 92 HB3 GLU 11 HB3 GLU 11 17.730 4.242 -7.649 93 HG2 GLU 11 HG2 GLU 11 17.219 1.967 -9.492 94 HG3 GLU 11 HG3 GLU 11 18.050 3.495 -9.792 95 H LYS 12 H LYS 12 14.905 3.720 -6.316 96 HA LYS 12 HA LYS 12 15.821 5.450 -4.207 97 HB2 LYS 12 HB2 LYS 12 13.957 5.896 -5.929 98 HB3 LYS 12 HB3 LYS 12 12.941 4.824 -4.966 99 HG2 LYS 12 HG2 LYS 12 12.472 7.118 -4.416 100 HG3 LYS 12 HG3 LYS 12 13.200 6.354 -3.013 101 HD2 LYS 12 HD2 LYS 12 15.305 7.467 -3.384 102 HD3 LYS 12 HD3 LYS 12 14.838 7.969 -5.011 103 HE2 LYS 12 HE2 LYS 12 13.397 8.933 -2.511 104 HE3 LYS 12 HE3 LYS 12 14.820 9.751 -3.169 105 HZ1 LYS 12 HZ1 LYS 12 12.724 10.703 -3.951 106 HZ2 LYS 12 HZ2 LYS 12 12.338 9.307 -4.719 107 HZ3 LYS 12 HZ3 LYS 12 13.667 10.161 -5.189 108 H LEU 13 H LEU 13 14.035 2.371 -4.322 109 HA LEU 13 HA LEU 13 13.302 2.504 -1.533 110 HB2 LEU 13 HB2 LEU 13 13.427 0.076 -3.332 111 HB3 LEU 13 HB3 LEU 13 12.849 0.108 -1.703 112 HG LEU 13 HG LEU 13 10.766 0.485 -2.454 113 HD11 LEU 13 HD11 LEU 13 9.950 2.552 -3.120 114 HD12 LEU 13 HD12 LEU 13 11.542 3.098 -3.697 115 HD13 LEU 13 HD13 LEU 13 11.220 2.859 -1.963 116 HD21 LEU 13 HD21 LEU 13 11.604 1.056 -5.235 117 HD22 LEU 13 HD22 LEU 13 10.108 0.342 -4.615 118 HD23 LEU 13 HD23 LEU 13 11.599 -0.583 -4.541 119 H LYS 14 H LYS 14 16.314 1.287 -3.098 120 HA LYS 14 HA LYS 14 17.367 -0.020 -0.772 121 HB2 LYS 14 HB2 LYS 14 18.493 1.191 -3.288 122 HB3 LYS 14 HB3 LYS 14 19.540 1.233 -1.879 123 HG2 LYS 14 HG2 LYS 14 20.115 -0.740 -2.916 124 HG3 LYS 14 HG3 LYS 14 19.127 -1.219 -1.531 125 HD2 LYS 14 HD2 LYS 14 17.175 -1.573 -3.055 126 HD3 LYS 14 HD3 LYS 14 18.166 -0.968 -4.389 127 HE2 LYS 14 HE2 LYS 14 18.355 -3.275 -4.669 128 HE3 LYS 14 HE3 LYS 14 19.841 -2.827 -3.827 129 HZ1 LYS 14 HZ1 LYS 14 17.451 -4.132 -2.709 130 HZ2 LYS 14 HZ2 LYS 14 18.625 -3.472 -1.736 131 HZ3 LYS 14 HZ3 LYS 14 19.002 -4.704 -2.752 132 H GLU 15 H GLU 15 17.442 3.277 -2.000 133 HA GLU 15 HA GLU 15 19.235 4.180 0.098 134 HB2 GLU 15 HB2 GLU 15 17.668 5.753 -1.953 135 HB3 GLU 15 HB3 GLU 15 18.931 6.404 -0.911 136 HG2 GLU 15 HG2 GLU 15 19.383 4.180 -2.942 137 HG3 GLU 15 HG3 GLU 15 19.636 5.889 -3.213 138 H LEU 16 H LEU 16 15.776 4.282 -0.362 139 HA LEU 16 HA LEU 16 15.083 5.924 1.913 140 HB2 LEU 16 HB2 LEU 16 13.703 4.063 0.037 141 HB3 LEU 16 HB3 LEU 16 12.977 4.163 1.616 142 HG LEU 16 HG LEU 16 12.431 6.403 1.462 143 HD11 LEU 16 HD11 LEU 16 13.012 7.815 -0.554 144 HD12 LEU 16 HD12 LEU 16 14.231 6.585 -0.978 145 HD13 LEU 16 HD13 LEU 16 14.357 7.494 0.537 146 HD21 LEU 16 HD21 LEU 16 11.052 4.803 0.149 147 HD22 LEU 16 HD22 LEU 16 12.011 5.179 -1.297 148 HD23 LEU 16 HD23 LEU 16 11.015 6.436 -0.534 149 H SER 17 H SER 17 16.610 2.895 1.878 150 HA SER 17 HA SER 17 16.987 1.262 3.314 151 HB2 SER 17 HB2 SER 17 15.914 3.031 5.515 152 HB3 SER 17 HB3 SER 17 17.076 1.723 5.648 153 HG SER 17 HG SER 17 18.368 3.165 4.096 154 H VAL 18 H VAL 18 14.400 1.239 1.969 155 HA VAL 18 HA VAL 18 12.237 0.816 3.674 156 HB VAL 18 HB VAL 18 12.648 -0.466 0.947 157 HG11 VAL 18 HG11 VAL 18 10.183 -0.313 0.751 158 HG12 VAL 18 HG12 VAL 18 10.679 -1.381 2.064 159 HG13 VAL 18 HG13 VAL 18 10.092 0.243 2.434 160 HG21 VAL 18 HG21 VAL 18 11.449 1.527 0.060 161 HG22 VAL 18 HG22 VAL 18 11.443 2.238 1.682 162 HG23 VAL 18 HG23 VAL 18 12.964 1.993 0.825 163 H GLU 19 H GLU 19 14.824 -1.491 2.938 164 HA GLU 19 HA GLU 19 13.598 -3.892 3.810 165 HB2 GLU 19 HB2 GLU 19 15.887 -4.603 4.409 166 HB3 GLU 19 HB3 GLU 19 15.814 -3.913 2.794 167 HG2 GLU 19 HG2 GLU 19 17.108 -2.088 3.352 168 HG3 GLU 19 HG3 GLU 19 16.515 -2.006 4.985 169 H LYS 20 H LYS 20 14.532 -1.088 5.724 170 HA LYS 20 HA LYS 20 14.753 -2.617 8.193 171 HB2 LYS 20 HB2 LYS 20 14.762 0.402 7.713 172 HB3 LYS 20 HB3 LYS 20 15.205 -0.410 9.212 173 HG2 LYS 20 HG2 LYS 20 17.050 -1.594 7.827 174 HG3 LYS 20 HG3 LYS 20 16.684 -0.422 6.566 175 HD2 LYS 20 HD2 LYS 20 18.066 1.021 7.539 176 HD3 LYS 20 HD3 LYS 20 16.967 1.172 8.894 177 HE2 LYS 20 HE2 LYS 20 19.156 -0.944 8.615 178 HE3 LYS 20 HE3 LYS 20 19.350 0.571 9.497 179 HZ1 LYS 20 HZ1 LYS 20 18.765 -1.384 10.870 180 HZ2 LYS 20 HZ2 LYS 20 17.293 -1.454 10.187 181 HZ3 LYS 20 HZ3 LYS 20 17.742 -0.113 11.075 182 H TRP 21 H TRP 21 12.282 -0.850 6.482 183 HA TRP 21 HA TRP 21 10.850 0.256 8.630 184 HB2 TRP 21 HB2 TRP 21 9.977 -0.575 5.842 185 HB3 TRP 21 HB3 TRP 21 9.074 0.499 6.912 186 HD1 TRP 21 HD1 TRP 21 12.518 1.622 7.230 187 HE1 TRP 21 HE1 TRP 21 13.036 3.527 5.753 188 HE3 TRP 21 HE3 TRP 21 8.431 1.300 4.160 189 HZ2 TRP 21 HZ2 TRP 21 11.723 4.982 3.544 190 HZ3 TRP 21 HZ3 TRP 21 8.059 3.000 2.399 191 HH2 TRP 21 HH2 TRP 21 9.672 4.873 2.089 192 HA PRO 22 HA PRO 22 8.758 -3.263 10.323 193 HB2 PRO 22 HB2 PRO 22 6.170 -2.451 10.872 194 HB3 PRO 22 HB3 PRO 22 7.638 -2.003 11.773 195 HG2 PRO 22 HG2 PRO 22 6.198 -0.428 9.609 196 HG3 PRO 22 HG3 PRO 22 6.809 0.179 11.179 197 HD2 PRO 22 HD2 PRO 22 8.174 0.496 8.849 198 HD3 PRO 22 HD3 PRO 22 9.031 0.216 10.386 199 H ILE 23 H ILE 23 8.249 -5.072 9.272 200 HA ILE 23 HA ILE 23 6.832 -5.048 6.712 201 HB ILE 23 HB ILE 23 7.665 -7.352 8.519 202 HG12 ILE 23 HG12 ILE 23 8.535 -6.447 5.730 203 HG13 ILE 23 HG13 ILE 23 9.427 -6.130 7.206 204 HG21 ILE 23 HG21 ILE 23 5.596 -8.104 7.437 205 HG22 ILE 23 HG22 ILE 23 6.171 -7.529 5.852 206 HG23 ILE 23 HG23 ILE 23 6.940 -8.901 6.673 207 HD11 ILE 23 HD11 ILE 23 8.992 -8.843 5.905 208 HD12 ILE 23 HD12 ILE 23 10.502 -7.953 6.111 209 HD13 ILE 23 HD13 ILE 23 9.674 -8.621 7.535 210 H TRP 24 H TRP 24 4.672 -5.492 6.258 211 HA TRP 24 HA TRP 24 2.963 -6.420 8.445 212 HB2 TRP 24 HB2 TRP 24 2.623 -4.004 8.404 213 HB3 TRP 24 HB3 TRP 24 2.296 -4.039 6.672 214 HD1 TRP 24 HD1 TRP 24 0.696 -4.429 10.034 215 HE1 TRP 24 HE1 TRP 24 -1.781 -4.988 9.823 216 HE3 TRP 24 HE3 TRP 24 0.529 -5.584 5.071 217 HZ2 TRP 24 HZ2 TRP 24 -3.689 -5.531 7.699 218 HZ3 TRP 24 HZ3 TRP 24 -1.632 -6.067 3.954 219 HH2 TRP 24 HH2 TRP 24 -3.720 -6.010 5.221 220 H GLU 25 H GLU 25 1.423 -7.801 7.718 221 HA GLU 25 HA GLU 25 0.967 -8.286 4.907 222 HB2 GLU 25 HB2 GLU 25 1.604 -10.738 5.170 223 HB3 GLU 25 HB3 GLU 25 2.888 -9.551 5.013 224 HG2 GLU 25 HG2 GLU 25 3.443 -9.683 7.355 225 HG3 GLU 25 HG3 GLU 25 2.049 -10.745 7.667 226 H LYS 26 H LYS 26 -0.713 -10.073 4.610 227 HA LYS 26 HA LYS 26 -2.384 -10.521 6.979 228 HB2 LYS 26 HB2 LYS 26 -2.924 -8.382 5.105 229 HB3 LYS 26 HB3 LYS 26 -4.156 -9.597 4.880 230 HG2 LYS 26 HG2 LYS 26 -3.441 -8.438 7.617 231 HG3 LYS 26 HG3 LYS 26 -4.681 -7.765 6.558 232 HD2 LYS 26 HD2 LYS 26 -5.929 -9.901 6.606 233 HD3 LYS 26 HD3 LYS 26 -4.707 -10.579 7.663 234 HE2 LYS 26 HE2 LYS 26 -5.270 -8.527 9.214 235 HE3 LYS 26 HE3 LYS 26 -6.750 -8.452 8.249 236 HZ1 LYS 26 HZ1 LYS 26 -5.829 -10.719 9.923 237 HZ2 LYS 26 HZ2 LYS 26 -7.051 -10.861 8.853 238 HZ3 LYS 26 HZ3 LYS 26 -7.200 -9.829 10.109 239 H GLU 27 H GLU 27 -4.422 -11.697 6.143 240 HA GLU 27 HA GLU 27 -3.726 -14.090 4.685 241 HB2 GLU 27 HB2 GLU 27 -5.937 -14.783 5.374 242 HB3 GLU 27 HB3 GLU 27 -5.217 -13.917 6.738 243 HG2 GLU 27 HG2 GLU 27 -6.457 -11.819 5.683 244 HG3 GLU 27 HG3 GLU 27 -7.401 -13.047 4.867 245 H VAL 28 H VAL 28 -6.101 -14.532 3.301 246 HA VAL 28 HA VAL 28 -5.827 -12.721 0.960 247 HB VAL 28 HB VAL 28 -4.852 -14.922 0.765 248 HG11 VAL 28 HG11 VAL 28 -6.041 -16.322 2.266 249 HG12 VAL 28 HG12 VAL 28 -7.594 -15.995 1.473 250 HG13 VAL 28 HG13 VAL 28 -6.360 -16.966 0.656 251 HG21 VAL 28 HG21 VAL 28 -5.591 -15.468 -1.360 252 HG22 VAL 28 HG22 VAL 28 -7.264 -14.996 -1.037 253 HG23 VAL 28 HG23 VAL 28 -6.005 -13.757 -1.187 254 H SER 29 H SER 29 -7.603 -12.288 3.208 255 HA SER 29 HA SER 29 -10.354 -12.717 2.168 256 HB2 SER 29 HB2 SER 29 -9.693 -13.449 4.478 257 HB3 SER 29 HB3 SER 29 -9.360 -11.766 4.893 258 HG SER 29 HG SER 29 -11.399 -12.793 5.463 259 H GLU 30 H GLU 30 -11.686 -10.652 3.083 260 HA GLU 30 HA GLU 30 -10.305 -8.175 2.246 261 HB2 GLU 30 HB2 GLU 30 -12.030 -7.404 0.974 262 HB3 GLU 30 HB3 GLU 30 -11.884 -9.066 0.446 263 HG2 GLU 30 HG2 GLU 30 -13.888 -9.685 1.735 264 HG3 GLU 30 HG3 GLU 30 -13.983 -8.060 2.432 265 H PHE 31 H PHE 31 -11.309 -6.210 3.124 266 HA PHE 31 HA PHE 31 -13.079 -6.294 5.320 267 HB2 PHE 31 HB2 PHE 31 -11.385 -5.505 7.030 268 HB3 PHE 31 HB3 PHE 31 -11.364 -7.188 6.621 269 HD1 PHE 31 HD1 PHE 31 -9.574 -3.963 5.927 270 HD2 PHE 31 HD2 PHE 31 -9.330 -8.274 5.991 271 HE1 PHE 31 HE1 PHE 31 -7.134 -3.826 5.577 272 HE2 PHE 31 HE2 PHE 31 -6.873 -8.136 5.698 273 HZ PHE 31 HZ PHE 31 -5.791 -5.902 5.446 274 H ASP 32 H ASP 32 -12.315 -3.851 6.482 275 HA ASP 32 HA ASP 32 -11.942 -1.929 4.243 276 HB2 ASP 32 HB2 ASP 32 -13.607 -1.468 6.737 277 HB3 ASP 32 HB3 ASP 32 -13.238 -0.281 5.520 278 H TRP 33 H TRP 33 -10.632 -0.117 4.864 279 HA TRP 33 HA TRP 33 -9.300 -0.341 7.512 280 HB2 TRP 33 HB2 TRP 33 -8.075 -1.436 5.594 281 HB3 TRP 33 HB3 TRP 33 -7.934 0.126 4.831 282 HD1 TRP 33 HD1 TRP 33 -6.007 1.663 5.660 283 HE1 TRP 33 HE1 TRP 33 -4.062 1.384 7.278 284 HE3 TRP 33 HE3 TRP 33 -7.527 -2.618 8.005 285 HZ2 TRP 33 HZ2 TRP 33 -3.132 -0.613 9.199 286 HZ3 TRP 33 HZ3 TRP 33 -6.084 -3.684 9.723 287 HH2 TRP 33 HH2 TRP 33 -3.877 -2.708 10.302 288 H TYR 34 H TYR 34 -7.790 1.850 7.610 289 HA TYR 34 HA TYR 34 -9.002 4.170 6.403 290 HB2 TYR 34 HB2 TYR 34 -10.366 3.756 8.542 291 HB3 TYR 34 HB3 TYR 34 -8.891 4.028 9.455 292 HD1 TYR 34 HD1 TYR 34 -7.745 6.347 9.258 293 HD2 TYR 34 HD2 TYR 34 -11.743 5.565 7.882 294 HE1 TYR 34 HE1 TYR 34 -8.110 8.780 8.916 295 HE2 TYR 34 HE2 TYR 34 -12.135 8.014 7.635 296 HH TYR 34 HH TYR 34 -11.107 10.286 8.091 297 H TYR 35 H TYR 35 -7.456 5.934 6.493 298 HA TYR 35 HA TYR 35 -4.805 5.347 7.743 299 HB2 TYR 35 HB2 TYR 35 -5.321 6.381 4.935 300 HB3 TYR 35 HB3 TYR 35 -3.751 6.378 5.725 301 HD1 TYR 35 HD1 TYR 35 -2.843 4.026 6.489 302 HD2 TYR 35 HD2 TYR 35 -5.940 4.609 3.548 303 HE1 TYR 35 HE1 TYR 35 -2.323 1.818 5.523 304 HE2 TYR 35 HE2 TYR 35 -5.390 2.425 2.536 305 HH TYR 35 HH TYR 35 -3.203 0.092 4.005 306 H ASP 36 H ASP 36 -5.004 6.871 9.426 307 HA ASP 36 HA ASP 36 -6.124 9.532 8.908 308 HB2 ASP 36 HB2 ASP 36 -6.773 8.090 10.918 309 HB3 ASP 36 HB3 ASP 36 -5.146 8.394 11.544 310 H THR 37 H THR 37 -3.228 8.316 8.258 311 HA THR 37 HA THR 37 -1.744 10.799 8.456 312 HB THR 37 HB THR 37 0.133 9.085 9.489 313 HG1 THR 37 HG1 THR 37 -0.897 8.162 11.362 314 HG21 THR 37 HG21 THR 37 -0.478 10.407 11.666 315 HG22 THR 37 HG22 THR 37 -1.735 11.159 10.638 316 HG23 THR 37 HG23 THR 37 -0.043 11.310 10.199 317 H ASN 38 H ASN 38 0.320 10.534 7.386 318 HA ASN 38 HA ASN 38 -0.013 9.511 4.707 319 HB2 ASN 38 HB2 ASN 38 2.633 10.113 6.063 320 HB3 ASN 38 HB3 ASN 38 2.178 10.244 4.362 321 HD21 ASN 38 HD21 ASN 38 2.410 11.843 7.408 322 HD22 ASN 38 HD22 ASN 38 1.843 13.407 6.826 323 H GLU 39 H GLU 39 0.618 7.542 3.887 324 HA GLU 39 HA GLU 39 2.489 5.909 5.459 325 HB2 GLU 39 HB2 GLU 39 0.151 5.323 6.165 326 HB3 GLU 39 HB3 GLU 39 -0.186 4.799 4.505 327 HG2 GLU 39 HG2 GLU 39 1.629 3.149 4.629 328 HG3 GLU 39 HG3 GLU 39 2.123 3.750 6.216 329 H THR 40 H THR 40 4.074 5.821 4.047 330 HA THR 40 HA THR 40 3.699 5.401 1.170 331 HB THR 40 HB THR 40 6.172 5.348 2.973 332 HG1 THR 40 HG1 THR 40 6.521 7.412 2.163 333 HG21 THR 40 HG21 THR 40 7.445 5.712 0.862 334 HG22 THR 40 HG22 THR 40 5.945 5.455 -0.063 335 HG23 THR 40 HG23 THR 40 6.640 4.143 0.924 336 H CYS 41 H CYS 41 3.874 3.224 0.277 337 HA CYS 41 HA CYS 41 4.802 1.097 2.024 338 HB2 CYS 41 HB2 CYS 41 2.655 -0.271 1.455 339 HB3 CYS 41 HB3 CYS 41 2.622 0.874 2.804 340 HG CYS 41 HG CYS 41 1.689 2.901 1.364 341 H TYR 42 H TYR 42 5.845 -0.426 0.946 342 HA TYR 42 HA TYR 42 5.845 -0.375 -2.030 343 HB2 TYR 42 HB2 TYR 42 7.953 0.273 -0.994 344 HB3 TYR 42 HB3 TYR 42 7.891 -1.108 0.088 345 HD1 TYR 42 HD1 TYR 42 7.329 -1.028 -3.675 346 HD2 TYR 42 HD2 TYR 42 9.815 -2.339 -0.379 347 HE1 TYR 42 HE1 TYR 42 8.672 -2.410 -5.208 348 HE2 TYR 42 HE2 TYR 42 11.284 -3.518 -1.946 349 HH TYR 42 HH TYR 42 11.615 -4.146 -4.158 350 H ILE 43 H ILE 43 4.593 -1.976 -2.845 351 HA ILE 43 HA ILE 43 3.956 -4.401 -1.365 352 HB ILE 43 HB ILE 43 3.393 -3.616 -4.240 353 HG12 ILE 43 HG12 ILE 43 2.448 -1.882 -2.719 354 HG13 ILE 43 HG13 ILE 43 1.290 -2.719 -3.711 355 HG21 ILE 43 HG21 ILE 43 3.058 -6.000 -3.870 356 HG22 ILE 43 HG22 ILE 43 2.124 -5.699 -2.402 357 HG23 ILE 43 HG23 ILE 43 1.472 -5.236 -3.997 358 HD11 ILE 43 HD11 ILE 43 0.572 -2.300 -1.306 359 HD12 ILE 43 HD12 ILE 43 0.488 -4.007 -1.778 360 HD13 ILE 43 HD13 ILE 43 1.835 -3.407 -0.787 361 H LEU 44 H LEU 44 5.406 -6.098 -1.265 362 HA LEU 44 HA LEU 44 7.445 -6.345 -3.437 363 HB2 LEU 44 HB2 LEU 44 7.360 -7.516 -0.639 364 HB3 LEU 44 HB3 LEU 44 8.560 -7.891 -1.871 365 HG LEU 44 HG LEU 44 8.534 -5.063 -1.791 366 HD11 LEU 44 HD11 LEU 44 8.652 -6.180 1.030 367 HD12 LEU 44 HD12 LEU 44 7.292 -5.262 0.363 368 HD13 LEU 44 HD13 LEU 44 8.864 -4.470 0.505 369 HD21 LEU 44 HD21 LEU 44 10.806 -5.355 -0.789 370 HD22 LEU 44 HD22 LEU 44 10.520 -6.427 -2.177 371 HD23 LEU 44 HD23 LEU 44 10.463 -7.068 -0.522 372 H GLU 45 H GLU 45 4.805 -8.149 -1.770 373 HA GLU 45 HA GLU 45 4.548 -9.785 -4.115 374 HB2 GLU 45 HB2 GLU 45 4.597 -11.929 -2.935 375 HB3 GLU 45 HB3 GLU 45 6.169 -11.205 -3.031 376 HG2 GLU 45 HG2 GLU 45 4.669 -10.618 -0.508 377 HG3 GLU 45 HG3 GLU 45 5.062 -12.308 -0.774 378 H GLY 46 H GLY 46 2.597 -11.015 -4.030 379 HA2 GLY 46 HA2 GLY 46 0.415 -11.507 -3.422 380 HA3 GLY 46 HA3 GLY 46 0.463 -10.363 -2.096 381 H LYS 47 H LYS 47 -1.684 -9.799 -3.143 382 HA LYS 47 HA LYS 47 -1.324 -7.579 -5.039 383 HB2 LYS 47 HB2 LYS 47 -2.055 -10.106 -6.014 384 HB3 LYS 47 HB3 LYS 47 -3.613 -9.359 -5.735 385 HG2 LYS 47 HG2 LYS 47 -1.340 -8.114 -7.352 386 HG3 LYS 47 HG3 LYS 47 -2.602 -9.111 -8.041 387 HD2 LYS 47 HD2 LYS 47 -3.043 -6.417 -6.742 388 HD3 LYS 47 HD3 LYS 47 -2.997 -6.748 -8.460 389 HE2 LYS 47 HE2 LYS 47 -5.058 -7.744 -6.454 390 HE3 LYS 47 HE3 LYS 47 -5.273 -6.434 -7.621 391 HZ1 LYS 47 HZ1 LYS 47 -4.980 -9.344 -8.201 392 HZ2 LYS 47 HZ2 LYS 47 -4.841 -8.178 -9.373 393 HZ3 LYS 47 HZ3 LYS 47 -6.235 -8.330 -8.562 394 H VAL 48 H VAL 48 -3.048 -6.085 -4.867 395 HA VAL 48 HA VAL 48 -5.151 -6.703 -2.871 396 HB VAL 48 HB VAL 48 -3.535 -4.138 -2.773 397 HG11 VAL 48 HG11 VAL 48 -5.838 -3.939 -1.820 398 HG12 VAL 48 HG12 VAL 48 -5.459 -5.259 -0.691 399 HG13 VAL 48 HG13 VAL 48 -4.581 -3.723 -0.625 400 HG21 VAL 48 HG21 VAL 48 -2.540 -4.976 -0.652 401 HG22 VAL 48 HG22 VAL 48 -3.255 -6.573 -0.967 402 HG23 VAL 48 HG23 VAL 48 -2.015 -5.902 -2.051 403 H GLU 49 H GLU 49 -7.024 -5.507 -3.134 404 HA GLU 49 HA GLU 49 -7.285 -3.655 -5.435 405 HB2 GLU 49 HB2 GLU 49 -8.810 -6.110 -4.759 406 HB3 GLU 49 HB3 GLU 49 -9.818 -4.673 -4.925 407 HG2 GLU 49 HG2 GLU 49 -8.801 -4.265 -7.171 408 HG3 GLU 49 HG3 GLU 49 -8.045 -5.860 -7.053 409 H VAL 50 H VAL 50 -7.071 -1.750 -4.195 410 HA VAL 50 HA VAL 50 -8.712 -1.445 -1.733 411 HB VAL 50 HB VAL 50 -6.830 0.513 -3.115 412 HG11 VAL 50 HG11 VAL 50 -7.970 0.619 -0.309 413 HG12 VAL 50 HG12 VAL 50 -6.869 1.778 -1.057 414 HG13 VAL 50 HG13 VAL 50 -8.516 1.614 -1.676 415 HG21 VAL 50 HG21 VAL 50 -5.259 -0.027 -1.223 416 HG22 VAL 50 HG22 VAL 50 -6.365 -1.335 -0.725 417 HG23 VAL 50 HG23 VAL 50 -5.517 -1.413 -2.269 418 H THR 51 H THR 51 -10.707 -0.268 -1.827 419 HA THR 51 HA THR 51 -11.409 0.985 -4.429 420 HB THR 51 HB THR 51 -13.057 -1.125 -2.985 421 HG1 THR 51 HG1 THR 51 -11.941 -2.299 -4.320 422 HG21 THR 51 HG21 THR 51 -14.651 -0.862 -4.883 423 HG22 THR 51 HG22 THR 51 -13.744 0.564 -5.434 424 HG23 THR 51 HG23 THR 51 -14.586 0.579 -3.867 425 H THR 52 H THR 52 -12.186 3.033 -4.090 426 HA THR 52 HA THR 52 -12.685 3.883 -1.331 427 HB THR 52 HB THR 52 -12.889 6.096 -2.300 428 HG1 THR 52 HG1 THR 52 -12.717 6.385 -4.512 429 HG21 THR 52 HG21 THR 52 -10.502 4.591 -3.447 430 HG22 THR 52 HG22 THR 52 -10.621 5.337 -1.842 431 HG23 THR 52 HG23 THR 52 -10.641 6.355 -3.284 432 H GLU 53 H GLU 53 -14.694 5.332 -0.987 433 HA GLU 53 HA GLU 53 -16.929 3.614 -1.145 434 HB2 GLU 53 HB2 GLU 53 -18.098 5.268 0.057 435 HB3 GLU 53 HB3 GLU 53 -16.434 5.298 0.616 436 HG2 GLU 53 HG2 GLU 53 -16.249 7.210 -1.288 437 HG3 GLU 53 HG3 GLU 53 -17.975 7.352 -0.952 438 H ASP 54 H ASP 54 -15.910 6.366 -3.094 439 HA ASP 54 HA ASP 54 -18.206 6.507 -4.862 440 HB2 ASP 54 HB2 ASP 54 -16.945 8.462 -4.099 441 HB3 ASP 54 HB3 ASP 54 -15.470 7.817 -4.816 442 H GLY 55 H GLY 55 -16.273 4.001 -4.652 443 HA2 GLY 55 HA2 GLY 55 -16.202 2.241 -6.114 444 HA3 GLY 55 HA3 GLY 55 -17.012 3.264 -7.296 445 H LYS 56 H LYS 56 -14.085 4.793 -6.414 446 HA LYS 56 HA LYS 56 -12.736 3.916 -8.867 447 HB2 LYS 56 HB2 LYS 56 -11.821 5.592 -6.508 448 HB3 LYS 56 HB3 LYS 56 -10.706 5.066 -7.760 449 HG2 LYS 56 HG2 LYS 56 -13.279 6.490 -8.481 450 HG3 LYS 56 HG3 LYS 56 -11.835 7.395 -7.996 451 HD2 LYS 56 HD2 LYS 56 -10.530 6.370 -9.787 452 HD3 LYS 56 HD3 LYS 56 -11.910 5.396 -10.309 453 HE2 LYS 56 HE2 LYS 56 -12.988 7.149 -11.318 454 HE3 LYS 56 HE3 LYS 56 -12.463 8.302 -10.089 455 HZ1 LYS 56 HZ1 LYS 56 -10.338 8.443 -11.075 456 HZ2 LYS 56 HZ2 LYS 56 -11.461 8.753 -12.238 457 HZ3 LYS 56 HZ3 LYS 56 -10.679 7.304 -12.206 458 H LYS 57 H LYS 57 -12.260 1.871 -8.972 459 HA LYS 57 HA LYS 57 -11.165 0.286 -6.773 460 HB2 LYS 57 HB2 LYS 57 -12.140 -0.263 -9.368 461 HB3 LYS 57 HB3 LYS 57 -10.417 -0.482 -9.540 462 HG2 LYS 57 HG2 LYS 57 -11.013 -2.605 -8.932 463 HG3 LYS 57 HG3 LYS 57 -10.694 -1.953 -7.319 464 HD2 LYS 57 HD2 LYS 57 -13.172 -1.464 -7.103 465 HD3 LYS 57 HD3 LYS 57 -13.414 -2.150 -8.711 466 HE2 LYS 57 HE2 LYS 57 -12.403 -4.288 -7.947 467 HE3 LYS 57 HE3 LYS 57 -12.277 -3.647 -6.302 468 HZ1 LYS 57 HZ1 LYS 57 -14.266 -5.062 -6.847 469 HZ2 LYS 57 HZ2 LYS 57 -14.841 -3.839 -7.765 470 HZ3 LYS 57 HZ3 LYS 57 -14.641 -3.635 -6.136 471 H TYR 58 H TYR 58 -8.933 -0.326 -6.674 472 HA TYR 58 HA TYR 58 -6.956 1.022 -8.343 473 HB2 TYR 58 HB2 TYR 58 -6.840 0.805 -5.313 474 HB3 TYR 58 HB3 TYR 58 -5.489 1.236 -6.345 475 HD1 TYR 58 HD1 TYR 58 -8.991 2.387 -5.551 476 HD2 TYR 58 HD2 TYR 58 -4.951 3.503 -6.458 477 HE1 TYR 58 HE1 TYR 58 -9.648 4.784 -5.517 478 HE2 TYR 58 HE2 TYR 58 -5.514 5.898 -6.034 479 HH TYR 58 HH TYR 58 -7.307 7.476 -5.702 480 H VAL 59 H VAL 59 -5.051 -0.445 -8.399 481 HA VAL 59 HA VAL 59 -5.325 -3.227 -7.413 482 HB VAL 59 HB VAL 59 -4.917 -2.377 -10.318 483 HG11 VAL 59 HG11 VAL 59 -4.666 -5.125 -9.058 484 HG12 VAL 59 HG12 VAL 59 -4.610 -4.774 -10.789 485 HG13 VAL 59 HG13 VAL 59 -3.330 -4.168 -9.743 486 HG21 VAL 59 HG21 VAL 59 -7.039 -4.144 -9.013 487 HG22 VAL 59 HG22 VAL 59 -7.311 -2.537 -9.711 488 HG23 VAL 59 HG23 VAL 59 -6.854 -3.884 -10.756 489 H ILE 60 H ILE 60 -3.327 -3.684 -6.536 490 HA ILE 60 HA ILE 60 -0.951 -2.250 -7.539 491 HB ILE 60 HB ILE 60 -0.124 -1.988 -5.217 492 HG12 ILE 60 HG12 ILE 60 -2.979 -2.678 -4.438 493 HG13 ILE 60 HG13 ILE 60 -1.487 -3.465 -3.933 494 HG21 ILE 60 HG21 ILE 60 -2.576 -0.336 -5.895 495 HG22 ILE 60 HG22 ILE 60 -1.176 0.122 -4.899 496 HG23 ILE 60 HG23 ILE 60 -0.952 -0.167 -6.611 497 HD11 ILE 60 HD11 ILE 60 -2.254 -2.156 -2.093 498 HD12 ILE 60 HD12 ILE 60 -0.842 -1.316 -2.766 499 HD13 ILE 60 HD13 ILE 60 -2.482 -0.720 -3.103 500 H GLU 61 H GLU 61 0.605 -3.545 -7.988 501 HA GLU 61 HA GLU 61 0.436 -6.421 -7.257 502 HB2 GLU 61 HB2 GLU 61 1.841 -4.921 -9.515 503 HB3 GLU 61 HB3 GLU 61 1.834 -6.669 -9.317 504 HG2 GLU 61 HG2 GLU 61 -0.284 -6.933 -10.150 505 HG3 GLU 61 HG3 GLU 61 -0.849 -5.388 -9.542 506 H LYS 62 H LYS 62 2.732 -7.270 -7.477 507 HA LYS 62 HA LYS 62 4.522 -5.929 -5.619 508 HB2 LYS 62 HB2 LYS 62 6.164 -7.533 -6.101 509 HB3 LYS 62 HB3 LYS 62 4.609 -8.329 -5.842 510 HG2 LYS 62 HG2 LYS 62 4.819 -7.965 -8.632 511 HG3 LYS 62 HG3 LYS 62 6.455 -8.403 -8.127 512 HD2 LYS 62 HD2 LYS 62 5.350 -10.349 -6.794 513 HD3 LYS 62 HD3 LYS 62 3.878 -9.945 -7.681 514 HE2 LYS 62 HE2 LYS 62 4.775 -11.746 -8.854 515 HE3 LYS 62 HE3 LYS 62 5.217 -10.341 -9.835 516 HZ1 LYS 62 HZ1 LYS 62 7.013 -11.705 -7.901 517 HZ2 LYS 62 HZ2 LYS 62 7.425 -10.461 -8.935 518 HZ3 LYS 62 HZ3 LYS 62 7.034 -11.938 -9.514 519 H GLY 63 H GLY 63 5.779 -4.358 -5.986 520 HA2 GLY 63 HA2 GLY 63 7.360 -3.037 -7.213 521 HA3 GLY 63 HA3 GLY 63 6.672 -3.580 -8.731 522 H ASP 64 H ASP 64 3.965 -2.619 -6.796 523 HA ASP 64 HA ASP 64 4.122 0.183 -7.817 524 HB2 ASP 64 HB2 ASP 64 1.852 -1.442 -6.581 525 HB3 ASP 64 HB3 ASP 64 1.756 0.257 -6.991 526 H LEU 65 H LEU 65 4.845 1.746 -6.365 527 HA LEU 65 HA LEU 65 4.752 1.151 -3.486 528 HB2 LEU 65 HB2 LEU 65 6.814 2.108 -4.281 529 HB3 LEU 65 HB3 LEU 65 5.915 3.390 -5.105 530 HG LEU 65 HG LEU 65 5.045 4.032 -2.734 531 HD11 LEU 65 HD11 LEU 65 5.931 3.120 -0.896 532 HD12 LEU 65 HD12 LEU 65 7.586 3.109 -1.529 533 HD13 LEU 65 HD13 LEU 65 6.471 1.807 -1.931 534 HD21 LEU 65 HD21 LEU 65 6.683 5.274 -4.218 535 HD22 LEU 65 HD22 LEU 65 7.949 4.660 -3.123 536 HD23 LEU 65 HD23 LEU 65 6.642 5.650 -2.480 537 H VAL 66 H VAL 66 3.268 2.410 -2.279 538 HA VAL 66 HA VAL 66 1.491 4.296 -3.756 539 HB VAL 66 HB VAL 66 0.599 2.565 -1.435 540 HG11 VAL 66 HG11 VAL 66 -1.653 2.909 -2.276 541 HG12 VAL 66 HG12 VAL 66 -0.850 4.447 -1.986 542 HG13 VAL 66 HG13 VAL 66 -1.018 3.846 -3.646 543 HG21 VAL 66 HG21 VAL 66 1.265 0.849 -2.972 544 HG22 VAL 66 HG22 VAL 66 -0.486 0.990 -3.018 545 HG23 VAL 66 HG23 VAL 66 0.517 1.690 -4.334 546 H THR 67 H THR 67 0.871 6.097 -2.557 547 HA THR 67 HA THR 67 1.784 6.272 0.238 548 HB THR 67 HB THR 67 2.143 8.526 -1.752 549 HG1 THR 67 HG1 THR 67 3.820 7.239 -2.065 550 HG21 THR 67 HG21 THR 67 1.549 9.328 0.551 551 HG22 THR 67 HG22 THR 67 3.261 9.634 0.259 552 HG23 THR 67 HG23 THR 67 2.756 8.265 1.265 553 H PHE 68 H PHE 68 -0.100 6.330 1.275 554 HA PHE 68 HA PHE 68 -2.538 7.517 0.119 555 HB2 PHE 68 HB2 PHE 68 -1.879 6.361 2.864 556 HB3 PHE 68 HB3 PHE 68 -3.471 6.900 2.371 557 HD1 PHE 68 HD1 PHE 68 -4.622 5.766 0.373 558 HD2 PHE 68 HD2 PHE 68 -1.075 4.153 2.225 559 HE1 PHE 68 HE1 PHE 68 -5.090 3.555 -0.657 560 HE2 PHE 68 HE2 PHE 68 -1.537 1.960 1.169 561 HZ PHE 68 HZ PHE 68 -3.538 1.641 -0.249 562 HA PRO 69 HA PRO 69 -1.676 11.561 1.943 563 HB2 PRO 69 HB2 PRO 69 -4.132 12.678 2.190 564 HB3 PRO 69 HB3 PRO 69 -3.483 12.231 0.592 565 HG2 PRO 69 HG2 PRO 69 -5.390 10.647 2.335 566 HG3 PRO 69 HG3 PRO 69 -5.546 11.039 0.603 567 HD2 PRO 69 HD2 PRO 69 -4.503 8.656 1.548 568 HD3 PRO 69 HD3 PRO 69 -4.010 9.370 -0.007 569 H LYS 70 H LYS 70 -3.096 12.896 3.958 570 HA LYS 70 HA LYS 70 -3.202 10.980 6.249 571 HB2 LYS 70 HB2 LYS 70 -1.701 12.872 6.585 572 HB3 LYS 70 HB3 LYS 70 -2.980 14.025 6.182 573 HG2 LYS 70 HG2 LYS 70 -4.224 13.489 8.175 574 HG3 LYS 70 HG3 LYS 70 -3.228 12.051 8.475 575 HD2 LYS 70 HD2 LYS 70 -1.249 13.416 8.852 576 HD3 LYS 70 HD3 LYS 70 -2.184 14.884 8.617 577 HE2 LYS 70 HE2 LYS 70 -2.793 12.752 10.713 578 HE3 LYS 70 HE3 LYS 70 -1.770 14.151 11.037 579 HZ1 LYS 70 HZ1 LYS 70 -3.683 15.565 10.764 580 HZ2 LYS 70 HZ2 LYS 70 -4.080 14.303 11.764 581 HZ3 LYS 70 HZ3 LYS 70 -4.629 14.336 10.233 582 H GLY 71 H GLY 71 -5.275 10.211 6.560 583 HA2 GLY 71 HA2 GLY 71 -7.480 10.424 7.191 584 HA3 GLY 71 HA3 GLY 71 -7.543 12.061 6.556 585 H LEU 72 H LEU 72 -7.722 8.604 5.708 586 HA LEU 72 HA LEU 72 -9.535 9.245 3.485 587 HB2 LEU 72 HB2 LEU 72 -7.373 8.932 2.340 588 HB3 LEU 72 HB3 LEU 72 -7.084 7.452 3.259 589 HG LEU 72 HG LEU 72 -8.960 6.322 2.109 590 HD11 LEU 72 HD11 LEU 72 -9.107 8.812 0.348 591 HD12 LEU 72 HD12 LEU 72 -10.354 8.290 1.493 592 HD13 LEU 72 HD13 LEU 72 -9.990 7.287 0.097 593 HD21 LEU 72 HD21 LEU 72 -6.694 6.097 1.284 594 HD22 LEU 72 HD22 LEU 72 -6.867 7.562 0.284 595 HD23 LEU 72 HD23 LEU 72 -7.831 6.107 -0.072 596 H ARG 73 H ARG 73 -11.119 7.663 3.293 597 HA ARG 73 HA ARG 73 -10.940 5.213 4.962 598 HB2 ARG 73 HB2 ARG 73 -13.437 5.218 4.950 599 HB3 ARG 73 HB3 ARG 73 -12.706 6.385 6.012 600 HG2 ARG 73 HG2 ARG 73 -13.863 7.149 3.299 601 HG3 ARG 73 HG3 ARG 73 -14.794 7.064 4.783 602 HD2 ARG 73 HD2 ARG 73 -12.668 8.662 5.568 603 HD3 ARG 73 HD3 ARG 73 -12.895 9.155 3.897 604 HE ARG 73 HE ARG 73 -14.455 9.898 6.128 605 HH11 ARG 73 HH11 ARG 73 -15.013 8.977 2.686 606 HH12 ARG 73 HH12 ARG 73 -16.575 9.560 2.646 607 HH21 ARG 73 HH21 ARG 73 -16.336 11.181 5.865 608 HH22 ARG 73 HH22 ARG 73 -17.216 11.145 4.383 609 H CYS 74 H CYS 74 -11.134 3.335 3.736 610 HA CYS 74 HA CYS 74 -12.776 3.162 1.462 611 HB2 CYS 74 HB2 CYS 74 -11.068 2.490 -0.181 612 HB3 CYS 74 HB3 CYS 74 -11.148 4.241 0.131 613 HG CYS 74 HG CYS 74 -8.644 3.418 -0.334 614 H ARG 75 H ARG 75 -12.480 0.963 0.372 615 HA ARG 75 HA ARG 75 -12.354 -1.059 2.435 616 HB2 ARG 75 HB2 ARG 75 -13.512 -0.747 -0.218 617 HB3 ARG 75 HB3 ARG 75 -12.514 -2.164 -0.250 618 HG2 ARG 75 HG2 ARG 75 -14.072 -3.350 0.819 619 HG3 ARG 75 HG3 ARG 75 -13.994 -2.347 2.226 620 HD2 ARG 75 HD2 ARG 75 -15.549 -1.893 -0.339 621 HD3 ARG 75 HD3 ARG 75 -16.246 -2.504 1.177 622 HE ARG 75 HE ARG 75 -14.963 0.121 1.415 623 HH11 ARG 75 HH11 ARG 75 -18.020 -1.518 0.552 624 HH12 ARG 75 HH12 ARG 75 -19.023 -0.445 1.463 625 HH21 ARG 75 HH21 ARG 75 -16.269 1.502 2.606 626 HH22 ARG 75 HH22 ARG 75 -18.016 1.414 2.594 627 H TRP 76 H TRP 76 -11.297 -3.192 1.870 628 HA TRP 76 HA TRP 76 -8.730 -2.958 0.464 629 HB2 TRP 76 HB2 TRP 76 -8.914 -2.885 3.387 630 HB3 TRP 76 HB3 TRP 76 -8.009 -4.277 2.838 631 HD1 TRP 76 HD1 TRP 76 -8.006 -0.450 2.211 632 HE1 TRP 76 HE1 TRP 76 -5.609 0.277 1.630 633 HE3 TRP 76 HE3 TRP 76 -5.654 -4.976 2.550 634 HZ2 TRP 76 HZ2 TRP 76 -3.040 -0.956 1.231 635 HZ3 TRP 76 HZ3 TRP 76 -3.232 -5.178 2.085 636 HH2 TRP 76 HH2 TRP 76 -1.921 -3.169 1.376 637 H LYS 77 H LYS 77 -8.890 -4.669 -0.939 638 HA LYS 77 HA LYS 77 -9.915 -7.300 0.056 639 HB2 LYS 77 HB2 LYS 77 -11.204 -6.302 -1.822 640 HB3 LYS 77 HB3 LYS 77 -9.718 -6.090 -2.715 641 HG2 LYS 77 HG2 LYS 77 -10.061 -8.031 -3.674 642 HG3 LYS 77 HG3 LYS 77 -9.627 -8.811 -2.167 643 HD2 LYS 77 HD2 LYS 77 -11.627 -9.779 -2.195 644 HD3 LYS 77 HD3 LYS 77 -12.348 -8.230 -1.800 645 HE2 LYS 77 HE2 LYS 77 -11.945 -9.450 -4.568 646 HE3 LYS 77 HE3 LYS 77 -13.468 -9.210 -3.712 647 HZ1 LYS 77 HZ1 LYS 77 -11.738 -7.109 -4.889 648 HZ2 LYS 77 HZ2 LYS 77 -13.025 -6.798 -3.846 649 HZ3 LYS 77 HZ3 LYS 77 -13.237 -7.502 -5.312 650 H VAL 78 H VAL 78 -8.127 -8.568 0.682 651 HA VAL 78 HA VAL 78 -5.537 -8.097 -0.670 652 HB VAL 78 HB VAL 78 -5.997 -10.158 1.493 653 HG11 VAL 78 HG11 VAL 78 -3.863 -10.078 0.427 654 HG12 VAL 78 HG12 VAL 78 -3.682 -8.332 0.723 655 HG13 VAL 78 HG13 VAL 78 -3.667 -9.499 2.072 656 HG21 VAL 78 HG21 VAL 78 -5.434 -8.454 3.247 657 HG22 VAL 78 HG22 VAL 78 -5.604 -7.167 2.033 658 HG23 VAL 78 HG23 VAL 78 -7.008 -8.137 2.540 659 H LEU 79 H LEU 79 -5.567 -9.092 -2.655 660 HA LEU 79 HA LEU 79 -7.375 -11.414 -3.045 661 HB2 LEU 79 HB2 LEU 79 -5.681 -9.772 -4.960 662 HB3 LEU 79 HB3 LEU 79 -6.599 -11.192 -5.439 663 HG LEU 79 HG LEU 79 -7.897 -8.766 -4.119 664 HD11 LEU 79 HD11 LEU 79 -7.092 -8.020 -6.221 665 HD12 LEU 79 HD12 LEU 79 -8.804 -8.352 -6.436 666 HD13 LEU 79 HD13 LEU 79 -7.619 -9.519 -7.038 667 HD21 LEU 79 HD21 LEU 79 -9.974 -9.866 -5.173 668 HD22 LEU 79 HD22 LEU 79 -9.281 -10.722 -3.788 669 HD23 LEU 79 HD23 LEU 79 -8.968 -11.297 -5.431 670 H GLU 80 H GLU 80 -4.046 -10.806 -2.377 671 HA GLU 80 HA GLU 80 -3.705 -13.632 -2.106 672 HB2 GLU 80 HB2 GLU 80 -2.114 -11.994 -4.129 673 HB3 GLU 80 HB3 GLU 80 -1.224 -13.160 -3.171 674 HG2 GLU 80 HG2 GLU 80 -3.649 -13.935 -4.836 675 HG3 GLU 80 HG3 GLU 80 -2.021 -13.947 -5.427 676 HA PRO 81 HA PRO 81 -2.337 -12.123 1.610 677 HB2 PRO 81 HB2 PRO 81 -0.418 -13.885 2.513 678 HB3 PRO 81 HB3 PRO 81 -2.153 -14.281 2.342 679 HG2 PRO 81 HG2 PRO 81 0.077 -14.823 0.353 680 HG3 PRO 81 HG3 PRO 81 -1.157 -15.969 0.955 681 HD2 PRO 81 HD2 PRO 81 -1.469 -14.715 -1.388 682 HD3 PRO 81 HD3 PRO 81 -2.873 -14.914 -0.301 683 H VAL 82 H VAL 82 -1.586 -10.156 0.956 684 HA VAL 82 HA VAL 82 0.827 -9.685 -0.299 685 HB VAL 82 HB VAL 82 -1.259 -8.279 -0.281 686 HG11 VAL 82 HG11 VAL 82 -0.148 -7.071 2.280 687 HG12 VAL 82 HG12 VAL 82 -1.597 -6.570 1.381 688 HG13 VAL 82 HG13 VAL 82 -1.560 -8.142 2.201 689 HG21 VAL 82 HG21 VAL 82 -0.135 -6.093 -0.519 690 HG22 VAL 82 HG22 VAL 82 1.346 -6.778 0.170 691 HG23 VAL 82 HG23 VAL 82 0.700 -7.397 -1.365 692 H ARG 83 H ARG 83 2.791 -8.797 0.270 693 HA ARG 83 HA ARG 83 3.358 -8.416 3.157 694 HB2 ARG 83 HB2 ARG 83 4.359 -10.573 1.790 695 HB3 ARG 83 HB3 ARG 83 5.609 -9.375 1.437 696 HG2 ARG 83 HG2 ARG 83 5.938 -9.039 3.892 697 HG3 ARG 83 HG3 ARG 83 4.642 -10.226 4.197 698 HD2 ARG 83 HD2 ARG 83 5.864 -11.890 2.847 699 HD3 ARG 83 HD3 ARG 83 7.242 -10.763 2.785 700 HE ARG 83 HE ARG 83 6.203 -11.489 5.453 701 HH11 ARG 83 HH11 ARG 83 8.160 -12.591 2.769 702 HH12 ARG 83 HH12 ARG 83 9.354 -13.452 3.667 703 HH21 ARG 83 HH21 ARG 83 7.603 -12.777 6.786 704 HH22 ARG 83 HH22 ARG 83 8.966 -13.596 6.130 705 H LYS 84 H LYS 84 3.723 -6.260 3.340 706 HA LYS 84 HA LYS 84 5.207 -4.937 1.175 707 HB2 LYS 84 HB2 LYS 84 3.724 -3.349 0.616 708 HB3 LYS 84 HB3 LYS 84 2.609 -4.660 0.896 709 HG2 LYS 84 HG2 LYS 84 3.194 -2.300 2.754 710 HG3 LYS 84 HG3 LYS 84 1.841 -2.478 1.648 711 HD2 LYS 84 HD2 LYS 84 1.638 -4.791 3.139 712 HD3 LYS 84 HD3 LYS 84 2.255 -3.635 4.325 713 HE2 LYS 84 HE2 LYS 84 -0.100 -2.998 2.485 714 HE3 LYS 84 HE3 LYS 84 -0.366 -3.948 3.927 715 HZ1 LYS 84 HZ1 LYS 84 0.563 -1.154 3.846 716 HZ2 LYS 84 HZ2 LYS 84 0.466 -2.056 5.250 717 HZ3 LYS 84 HZ3 LYS 84 -0.845 -1.698 4.359 718 H HIS 85 H HIS 85 6.389 -3.305 1.799 719 HA HIS 85 HA HIS 85 6.907 -3.066 4.703 720 HB2 HIS 85 HB2 HIS 85 8.467 -2.382 2.204 721 HB3 HIS 85 HB3 HIS 85 8.800 -1.506 3.690 722 HD1 HIS 85 HD1 HIS 85 9.477 -4.903 2.145 723 HD2 HIS 85 HD2 HIS 85 9.824 -2.825 5.768 724 HE1 HIS 85 HE1 HIS 85 11.052 -6.286 3.643 725 H TYR 86 H TYR 86 5.399 -1.693 5.564 726 HA TYR 86 HA TYR 86 4.517 0.736 4.096 727 HB2 TYR 86 HB2 TYR 86 2.724 0.952 5.529 728 HB3 TYR 86 HB3 TYR 86 2.762 -0.772 5.208 729 HD1 TYR 86 HD1 TYR 86 4.043 -2.232 7.092 730 HD2 TYR 86 HD2 TYR 86 2.531 1.771 7.715 731 HE1 TYR 86 HE1 TYR 86 4.045 -2.604 9.520 732 HE2 TYR 86 HE2 TYR 86 2.501 1.374 10.152 733 HH TYR 86 HH TYR 86 2.691 -1.608 11.594 734 H ASN 87 H ASN 87 4.760 2.834 5.146 735 HA ASN 87 HA ASN 87 6.092 2.872 7.745 736 HB2 ASN 87 HB2 ASN 87 8.000 2.802 6.236 737 HB3 ASN 87 HB3 ASN 87 7.406 4.240 5.368 738 HD21 ASN 87 HD21 ASN 87 8.369 6.086 6.122 739 HD22 ASN 87 HD22 ASN 87 8.917 6.339 7.794 740 H LEU 88 H LEU 88 4.846 4.112 8.842 741 HA LEU 88 HA LEU 88 3.084 6.190 7.930 742 HB2 LEU 88 HB2 LEU 88 4.320 5.647 10.670 743 HB3 LEU 88 HB3 LEU 88 2.957 6.716 10.374 744 HG LEU 88 HG LEU 88 2.896 3.719 9.793 745 HD11 LEU 88 HD11 LEU 88 1.617 3.497 11.883 746 HD12 LEU 88 HD12 LEU 88 1.840 5.228 12.223 747 HD13 LEU 88 HD13 LEU 88 3.241 4.135 12.211 748 HD21 LEU 88 HD21 LEU 88 0.473 4.023 9.780 749 HD22 LEU 88 HD22 LEU 88 1.221 5.025 8.530 750 HD23 LEU 88 HD23 LEU 88 0.655 5.774 10.041 751 H PHE 89 H PHE 89 3.440 8.579 8.225 752 HA PHE 89 HA PHE 89 5.883 9.361 9.505 753 HB2 PHE 89 HB2 PHE 89 6.726 10.834 7.746 754 HB3 PHE 89 HB3 PHE 89 6.900 9.133 7.387 755 HD1 PHE 89 HD1 PHE 89 5.045 8.060 5.810 756 HD2 PHE 89 HD2 PHE 89 5.938 12.277 6.066 757 HE1 PHE 89 HE1 PHE 89 4.178 8.390 3.516 758 HE2 PHE 89 HE2 PHE 89 5.131 12.584 3.746 759 HZ PHE 89 HZ PHE 89 4.269 10.636 2.449 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -0.808 13.941 -2.023 2 HA MET 1 HA MET 1 -2.903 15.024 -1.944 3 HB2 MET 1 HB2 MET 1 -2.212 15.873 -4.768 4 HB3 MET 1 HB3 MET 1 -3.893 15.762 -4.245 5 HG2 MET 1 HG2 MET 1 -3.490 17.253 -2.368 6 HG3 MET 1 HG3 MET 1 -1.791 17.426 -2.821 7 HE1 MET 1 HE1 MET 1 -4.004 19.793 -2.301 8 HE2 MET 1 HE2 MET 1 -2.261 20.034 -2.571 9 HE3 MET 1 HE3 MET 1 -3.445 20.930 -3.546 10 H GLU 2 H GLU 2 -4.507 13.649 -1.866 11 HA GLU 2 HA GLU 2 -5.557 11.714 -1.912 12 HB2 GLU 2 HB2 GLU 2 -5.845 12.750 -4.480 13 HB3 GLU 2 HB3 GLU 2 -5.286 11.116 -4.810 14 HG2 GLU 2 HG2 GLU 2 -7.662 11.001 -4.727 15 HG3 GLU 2 HG3 GLU 2 -7.130 10.315 -3.192 16 H VAL 3 H VAL 3 -5.243 9.270 -3.353 17 HA VAL 3 HA VAL 3 -2.788 8.317 -2.072 18 HB VAL 3 HB VAL 3 -4.752 6.991 -1.707 19 HG11 VAL 3 HG11 VAL 3 -5.989 5.809 -3.283 20 HG12 VAL 3 HG12 VAL 3 -6.143 7.542 -3.584 21 HG13 VAL 3 HG13 VAL 3 -5.108 6.545 -4.644 22 HG21 VAL 3 HG21 VAL 3 -2.589 5.806 -1.929 23 HG22 VAL 3 HG22 VAL 3 -3.947 4.795 -2.447 24 HG23 VAL 3 HG23 VAL 3 -2.907 5.549 -3.656 25 H LYS 4 H LYS 4 -0.983 8.723 -3.078 26 HA LYS 4 HA LYS 4 -0.777 8.843 -6.004 27 HB2 LYS 4 HB2 LYS 4 0.604 10.219 -4.228 28 HB3 LYS 4 HB3 LYS 4 1.551 8.728 -4.059 29 HG2 LYS 4 HG2 LYS 4 1.763 8.759 -6.618 30 HG3 LYS 4 HG3 LYS 4 1.074 10.393 -6.554 31 HD2 LYS 4 HD2 LYS 4 3.018 11.042 -5.056 32 HD3 LYS 4 HD3 LYS 4 3.681 9.410 -5.358 33 HE2 LYS 4 HE2 LYS 4 3.419 9.909 -7.852 34 HE3 LYS 4 HE3 LYS 4 3.034 11.572 -7.399 35 HZ1 LYS 4 HZ1 LYS 4 5.571 10.125 -7.146 36 HZ2 LYS 4 HZ2 LYS 4 5.298 11.504 -6.243 37 HZ3 LYS 4 HZ3 LYS 4 5.251 11.516 -7.910 38 H ILE 5 H ILE 5 -0.091 7.088 -7.273 39 HA ILE 5 HA ILE 5 1.309 4.834 -6.010 40 HB ILE 5 HB ILE 5 -0.950 4.525 -8.041 41 HG12 ILE 5 HG12 ILE 5 -0.915 3.688 -5.110 42 HG13 ILE 5 HG13 ILE 5 -1.849 5.033 -5.778 43 HG21 ILE 5 HG21 ILE 5 0.733 2.419 -6.607 44 HG22 ILE 5 HG22 ILE 5 -0.591 2.083 -7.753 45 HG23 ILE 5 HG23 ILE 5 0.868 2.856 -8.320 46 HD11 ILE 5 HD11 ILE 5 -3.105 3.431 -7.219 47 HD12 ILE 5 HD12 ILE 5 -2.309 2.089 -6.350 48 HD13 ILE 5 HD13 ILE 5 -3.342 3.219 -5.472 49 H GLU 6 H GLU 6 3.051 4.181 -7.301 50 HA GLU 6 HA GLU 6 3.007 4.204 -10.065 51 HB2 GLU 6 HB2 GLU 6 5.076 5.574 -10.427 52 HB3 GLU 6 HB3 GLU 6 3.559 6.446 -10.185 53 HG2 GLU 6 HG2 GLU 6 4.262 6.849 -7.792 54 HG3 GLU 6 HG3 GLU 6 5.832 6.158 -8.197 55 H LYS 7 H LYS 7 5.407 3.497 -10.795 56 HA LYS 7 HA LYS 7 6.361 1.597 -8.742 57 HB2 LYS 7 HB2 LYS 7 6.871 1.289 -11.718 58 HB3 LYS 7 HB3 LYS 7 7.252 0.185 -10.410 59 HG2 LYS 7 HG2 LYS 7 5.421 -0.785 -11.364 60 HG3 LYS 7 HG3 LYS 7 4.705 0.028 -9.986 61 HD2 LYS 7 HD2 LYS 7 3.541 1.542 -11.340 62 HD3 LYS 7 HD3 LYS 7 4.815 1.602 -12.555 63 HE2 LYS 7 HE2 LYS 7 4.079 -0.944 -12.954 64 HE3 LYS 7 HE3 LYS 7 2.577 -0.388 -12.214 65 HZ1 LYS 7 HZ1 LYS 7 2.418 -0.120 -14.553 66 HZ2 LYS 7 HZ2 LYS 7 3.861 0.602 -14.679 67 HZ3 LYS 7 HZ3 LYS 7 2.623 1.417 -13.965 68 HA PRO 8 HA PRO 8 9.574 4.852 -9.183 69 HB2 PRO 8 HB2 PRO 8 10.761 4.619 -6.715 70 HB3 PRO 8 HB3 PRO 8 9.237 5.507 -6.997 71 HG2 PRO 8 HG2 PRO 8 9.524 2.664 -6.003 72 HG3 PRO 8 HG3 PRO 8 8.555 3.996 -5.340 73 HD2 PRO 8 HD2 PRO 8 7.488 2.115 -6.997 74 HD3 PRO 8 HD3 PRO 8 6.965 3.830 -7.079 75 H THR 9 H THR 9 11.983 4.714 -9.058 76 HA THR 9 HA THR 9 12.925 2.259 -10.169 77 HB THR 9 HB THR 9 13.794 4.272 -10.955 78 HG1 THR 9 HG1 THR 9 15.856 3.874 -10.915 79 HG21 THR 9 HG21 THR 9 15.068 5.856 -9.693 80 HG22 THR 9 HG22 THR 9 14.935 4.865 -8.217 81 HG23 THR 9 HG23 THR 9 13.507 5.675 -8.905 82 HA PRO 10 HA PRO 10 13.930 0.250 -6.315 83 HB2 PRO 10 HB2 PRO 10 15.870 -1.565 -7.100 84 HB3 PRO 10 HB3 PRO 10 14.100 -1.769 -7.276 85 HG2 PRO 10 HG2 PRO 10 16.085 -0.807 -9.323 86 HG3 PRO 10 HG3 PRO 10 14.743 -1.967 -9.546 87 HD2 PRO 10 HD2 PRO 10 14.448 0.620 -10.302 88 HD3 PRO 10 HD3 PRO 10 13.109 -0.248 -9.509 89 H GLU 11 H GLU 11 16.413 1.998 -8.147 90 HA GLU 11 HA GLU 11 18.441 1.974 -6.129 91 HB2 GLU 11 HB2 GLU 11 17.693 4.345 -7.897 92 HB3 GLU 11 HB3 GLU 11 19.207 4.040 -7.046 93 HG2 GLU 11 HG2 GLU 11 19.061 1.794 -8.605 94 HG3 GLU 11 HG3 GLU 11 18.218 2.970 -9.625 95 H LYS 12 H LYS 12 15.539 4.039 -6.599 96 HA LYS 12 HA LYS 12 16.151 5.714 -4.358 97 HB2 LYS 12 HB2 LYS 12 14.545 6.195 -6.372 98 HB3 LYS 12 HB3 LYS 12 13.366 5.184 -5.528 99 HG2 LYS 12 HG2 LYS 12 12.863 7.435 -4.963 100 HG3 LYS 12 HG3 LYS 12 13.649 6.765 -3.525 101 HD2 LYS 12 HD2 LYS 12 15.855 7.740 -4.471 102 HD3 LYS 12 HD3 LYS 12 14.849 8.565 -5.666 103 HE2 LYS 12 HE2 LYS 12 13.744 9.841 -3.957 104 HE3 LYS 12 HE3 LYS 12 14.420 8.814 -2.676 105 HZ1 LYS 12 HZ1 LYS 12 16.002 10.618 -4.424 106 HZ2 LYS 12 HZ2 LYS 12 16.620 9.571 -3.334 107 HZ3 LYS 12 HZ3 LYS 12 15.672 10.829 -2.837 108 H LEU 13 H LEU 13 14.290 2.769 -4.768 109 HA LEU 13 HA LEU 13 13.181 2.712 -2.111 110 HB2 LEU 13 HB2 LEU 13 13.719 0.560 -4.170 111 HB3 LEU 13 HB3 LEU 13 12.947 0.263 -2.625 112 HG LEU 13 HG LEU 13 11.831 2.396 -4.505 113 HD11 LEU 13 HD11 LEU 13 10.238 0.594 -5.321 114 HD12 LEU 13 HD12 LEU 13 11.371 -0.586 -4.657 115 HD13 LEU 13 HD13 LEU 13 11.888 0.512 -5.950 116 HD21 LEU 13 HD21 LEU 13 9.732 1.883 -3.359 117 HD22 LEU 13 HD22 LEU 13 10.960 2.316 -2.176 118 HD23 LEU 13 HD23 LEU 13 10.513 0.601 -2.413 119 H LYS 14 H LYS 14 16.382 1.714 -3.418 120 HA LYS 14 HA LYS 14 17.204 0.351 -1.019 121 HB2 LYS 14 HB2 LYS 14 18.484 1.374 -3.513 122 HB3 LYS 14 HB3 LYS 14 19.484 1.538 -2.101 123 HG2 LYS 14 HG2 LYS 14 20.049 -0.570 -2.844 124 HG3 LYS 14 HG3 LYS 14 18.869 -0.930 -1.583 125 HD2 LYS 14 HD2 LYS 14 17.099 -1.191 -3.272 126 HD3 LYS 14 HD3 LYS 14 18.227 -0.685 -4.546 127 HE2 LYS 14 HE2 LYS 14 19.676 -2.653 -3.986 128 HE3 LYS 14 HE3 LYS 14 18.429 -3.201 -2.852 129 HZ1 LYS 14 HZ1 LYS 14 18.093 -2.835 -5.772 130 HZ2 LYS 14 HZ2 LYS 14 16.879 -3.253 -4.742 131 HZ3 LYS 14 HZ3 LYS 14 18.182 -4.259 -5.005 132 H GLU 15 H GLU 15 17.311 3.713 -2.118 133 HA GLU 15 HA GLU 15 18.907 4.720 0.074 134 HB2 GLU 15 HB2 GLU 15 16.766 6.256 -1.480 135 HB3 GLU 15 HB3 GLU 15 18.011 6.937 -0.430 136 HG2 GLU 15 HG2 GLU 15 19.758 6.103 -1.978 137 HG3 GLU 15 HG3 GLU 15 18.509 5.476 -3.041 138 H LEU 16 H LEU 16 15.417 4.641 -0.471 139 HA LEU 16 HA LEU 16 14.451 5.637 1.977 140 HB2 LEU 16 HB2 LEU 16 13.425 3.975 -0.287 141 HB3 LEU 16 HB3 LEU 16 12.589 3.742 1.227 142 HG LEU 16 HG LEU 16 12.008 6.046 1.432 143 HD11 LEU 16 HD11 LEU 16 13.960 7.141 0.391 144 HD12 LEU 16 HD12 LEU 16 12.442 7.706 -0.298 145 HD13 LEU 16 HD13 LEU 16 13.458 6.533 -1.194 146 HD21 LEU 16 HD21 LEU 16 10.460 6.204 -0.460 147 HD22 LEU 16 HD22 LEU 16 10.597 4.509 0.036 148 HD23 LEU 16 HD23 LEU 16 11.449 5.077 -1.413 149 H SER 17 H SER 17 16.199 2.703 1.528 150 HA SER 17 HA SER 17 16.625 0.925 2.855 151 HB2 SER 17 HB2 SER 17 16.102 3.096 4.911 152 HB3 SER 17 HB3 SER 17 16.884 1.548 5.261 153 HG SER 17 HG SER 17 17.781 3.513 3.406 154 H VAL 18 H VAL 18 14.074 0.784 1.877 155 HA VAL 18 HA VAL 18 11.977 0.541 3.675 156 HB VAL 18 HB VAL 18 12.447 -1.058 1.134 157 HG11 VAL 18 HG11 VAL 18 10.035 -1.124 0.899 158 HG12 VAL 18 HG12 VAL 18 10.563 -1.910 2.385 159 HG13 VAL 18 HG13 VAL 18 9.841 -0.286 2.461 160 HG21 VAL 18 HG21 VAL 18 12.678 1.373 0.681 161 HG22 VAL 18 HG22 VAL 18 11.176 0.761 -0.003 162 HG23 VAL 18 HG23 VAL 18 11.150 1.679 1.520 163 H GLU 19 H GLU 19 14.537 -1.780 2.998 164 HA GLU 19 HA GLU 19 13.843 -4.082 4.378 165 HB2 GLU 19 HB2 GLU 19 16.324 -4.194 4.865 166 HB3 GLU 19 HB3 GLU 19 15.893 -3.914 3.176 167 HG2 GLU 19 HG2 GLU 19 16.427 -1.539 3.333 168 HG3 GLU 19 HG3 GLU 19 16.646 -1.658 5.072 169 H LYS 20 H LYS 20 14.614 -0.910 5.873 170 HA LYS 20 HA LYS 20 14.948 -2.135 8.524 171 HB2 LYS 20 HB2 LYS 20 14.832 0.792 7.699 172 HB3 LYS 20 HB3 LYS 20 15.273 0.173 9.289 173 HG2 LYS 20 HG2 LYS 20 17.143 -1.152 8.069 174 HG3 LYS 20 HG3 LYS 20 16.811 -0.086 6.694 175 HD2 LYS 20 HD2 LYS 20 17.654 0.767 9.486 176 HD3 LYS 20 HD3 LYS 20 18.703 0.708 8.079 177 HE2 LYS 20 HE2 LYS 20 16.262 2.328 7.620 178 HE3 LYS 20 HE3 LYS 20 17.181 2.890 9.011 179 HZ1 LYS 20 HZ1 LYS 20 19.146 2.927 7.540 180 HZ2 LYS 20 HZ2 LYS 20 17.967 4.017 7.145 181 HZ3 LYS 20 HZ3 LYS 20 18.165 2.677 6.233 182 H TRP 21 H TRP 21 12.332 -0.813 6.611 183 HA TRP 21 HA TRP 21 10.833 0.434 8.651 184 HB2 TRP 21 HB2 TRP 21 9.972 -0.799 6.010 185 HB3 TRP 21 HB3 TRP 21 9.001 0.276 6.968 186 HD1 TRP 21 HD1 TRP 21 12.447 1.657 7.043 187 HE1 TRP 21 HE1 TRP 21 12.805 3.414 5.332 188 HE3 TRP 21 HE3 TRP 21 8.176 0.947 4.263 189 HZ2 TRP 21 HZ2 TRP 21 11.287 4.688 3.203 190 HZ3 TRP 21 HZ3 TRP 21 7.626 2.533 2.438 191 HH2 TRP 21 HH2 TRP 21 9.142 4.453 1.930 192 HA PRO 22 HA PRO 22 8.778 -3.191 10.418 193 HB2 PRO 22 HB2 PRO 22 6.162 -2.461 10.786 194 HB3 PRO 22 HB3 PRO 22 7.509 -1.864 11.794 195 HG2 PRO 22 HG2 PRO 22 6.247 -0.483 9.403 196 HG3 PRO 22 HG3 PRO 22 6.584 0.206 11.025 197 HD2 PRO 22 HD2 PRO 22 8.294 0.595 8.966 198 HD3 PRO 22 HD3 PRO 22 8.911 0.266 10.602 199 H ILE 23 H ILE 23 7.807 -5.037 9.647 200 HA ILE 23 HA ILE 23 6.659 -5.082 6.911 201 HB ILE 23 HB ILE 23 7.564 -7.218 8.901 202 HG12 ILE 23 HG12 ILE 23 8.342 -6.915 5.966 203 HG13 ILE 23 HG13 ILE 23 9.170 -6.027 7.217 204 HG21 ILE 23 HG21 ILE 23 5.885 -7.635 6.379 205 HG22 ILE 23 HG22 ILE 23 6.818 -8.919 7.132 206 HG23 ILE 23 HG23 ILE 23 5.520 -8.152 8.036 207 HD11 ILE 23 HD11 ILE 23 9.901 -8.044 8.330 208 HD12 ILE 23 HD12 ILE 23 9.028 -9.057 7.156 209 HD13 ILE 23 HD13 ILE 23 10.375 -8.060 6.620 210 H TRP 24 H TRP 24 4.461 -5.728 6.677 211 HA TRP 24 HA TRP 24 3.146 -6.754 9.062 212 HB2 TRP 24 HB2 TRP 24 2.551 -4.393 9.144 213 HB3 TRP 24 HB3 TRP 24 2.000 -4.433 7.478 214 HD1 TRP 24 HD1 TRP 24 0.895 -5.108 11.029 215 HE1 TRP 24 HE1 TRP 24 -1.618 -5.563 11.053 216 HE3 TRP 24 HE3 TRP 24 0.223 -5.834 6.071 217 HZ2 TRP 24 HZ2 TRP 24 -3.762 -5.714 9.066 218 HZ3 TRP 24 HZ3 TRP 24 -2.126 -6.037 5.106 219 HH2 TRP 24 HH2 TRP 24 -4.078 -5.933 6.598 220 H GLU 25 H GLU 25 1.451 -8.248 8.480 221 HA GLU 25 HA GLU 25 1.131 -8.997 5.689 222 HB2 GLU 25 HB2 GLU 25 1.598 -11.318 6.108 223 HB3 GLU 25 HB3 GLU 25 2.957 -10.230 6.005 224 HG2 GLU 25 HG2 GLU 25 3.722 -10.963 7.790 225 HG3 GLU 25 HG3 GLU 25 2.444 -10.290 8.770 226 H LYS 26 H LYS 26 -0.809 -10.438 5.482 227 HA LYS 26 HA LYS 26 -2.455 -10.793 7.909 228 HB2 LYS 26 HB2 LYS 26 -2.628 -8.489 6.402 229 HB3 LYS 26 HB3 LYS 26 -3.765 -9.519 5.562 230 HG2 LYS 26 HG2 LYS 26 -4.366 -9.930 8.299 231 HG3 LYS 26 HG3 LYS 26 -3.890 -8.233 8.241 232 HD2 LYS 26 HD2 LYS 26 -5.515 -7.955 6.311 233 HD3 LYS 26 HD3 LYS 26 -5.950 -9.674 6.556 234 HE2 LYS 26 HE2 LYS 26 -6.485 -9.069 8.974 235 HE3 LYS 26 HE3 LYS 26 -6.260 -7.366 8.552 236 HZ1 LYS 26 HZ1 LYS 26 -8.269 -9.223 7.484 237 HZ2 LYS 26 HZ2 LYS 26 -8.057 -7.662 6.917 238 HZ3 LYS 26 HZ3 LYS 26 -8.532 -7.922 8.456 239 H GLU 27 H GLU 27 -4.553 -11.964 7.331 240 HA GLU 27 HA GLU 27 -4.181 -14.108 5.448 241 HB2 GLU 27 HB2 GLU 27 -6.065 -13.377 7.413 242 HB3 GLU 27 HB3 GLU 27 -6.958 -13.802 6.002 243 HG2 GLU 27 HG2 GLU 27 -4.834 -15.539 7.342 244 HG3 GLU 27 HG3 GLU 27 -6.566 -15.651 7.627 245 H VAL 28 H VAL 28 -6.103 -14.428 3.946 246 HA VAL 28 HA VAL 28 -5.724 -12.467 1.804 247 HB VAL 28 HB VAL 28 -6.712 -15.338 1.734 248 HG11 VAL 28 HG11 VAL 28 -5.609 -13.492 -0.436 249 HG12 VAL 28 HG12 VAL 28 -5.789 -15.257 -0.621 250 HG13 VAL 28 HG13 VAL 28 -7.211 -14.264 -0.386 251 HG21 VAL 28 HG21 VAL 28 -3.901 -14.198 1.518 252 HG22 VAL 28 HG22 VAL 28 -4.493 -15.339 2.737 253 HG23 VAL 28 HG23 VAL 28 -4.340 -15.868 1.079 254 H SER 29 H SER 29 -7.615 -11.884 3.906 255 HA SER 29 HA SER 29 -10.320 -12.413 2.825 256 HB2 SER 29 HB2 SER 29 -9.593 -12.848 5.203 257 HB3 SER 29 HB3 SER 29 -9.461 -11.085 5.413 258 HG SER 29 HG SER 29 -11.402 -11.641 6.165 259 H GLU 30 H GLU 30 -11.824 -10.420 3.389 260 HA GLU 30 HA GLU 30 -10.679 -7.927 2.291 261 HB2 GLU 30 HB2 GLU 30 -12.408 -8.916 0.815 262 HB3 GLU 30 HB3 GLU 30 -13.575 -8.829 2.130 263 HG2 GLU 30 HG2 GLU 30 -13.465 -6.383 2.110 264 HG3 GLU 30 HG3 GLU 30 -12.109 -6.410 0.963 265 H PHE 31 H PHE 31 -11.075 -6.116 3.432 266 HA PHE 31 HA PHE 31 -12.588 -6.086 5.893 267 HB2 PHE 31 HB2 PHE 31 -10.670 -5.354 7.244 268 HB3 PHE 31 HB3 PHE 31 -10.484 -6.986 6.686 269 HD1 PHE 31 HD1 PHE 31 -8.835 -7.503 4.779 270 HD2 PHE 31 HD2 PHE 31 -9.035 -3.617 6.653 271 HE1 PHE 31 HE1 PHE 31 -6.476 -7.052 4.168 272 HE2 PHE 31 HE2 PHE 31 -6.703 -3.178 6.024 273 HZ PHE 31 HZ PHE 31 -5.400 -4.895 4.790 274 H ASP 32 H ASP 32 -11.749 -3.551 6.793 275 HA ASP 32 HA ASP 32 -11.638 -1.886 4.357 276 HB2 ASP 32 HB2 ASP 32 -13.331 -1.478 6.875 277 HB3 ASP 32 HB3 ASP 32 -12.908 -0.148 5.827 278 H TRP 33 H TRP 33 -10.422 0.174 4.862 279 HA TRP 33 HA TRP 33 -9.071 0.229 7.486 280 HB2 TRP 33 HB2 TRP 33 -7.607 -0.887 5.724 281 HB3 TRP 33 HB3 TRP 33 -7.557 0.662 4.887 282 HD1 TRP 33 HD1 TRP 33 -5.826 2.414 5.822 283 HE1 TRP 33 HE1 TRP 33 -4.249 2.547 7.819 284 HE3 TRP 33 HE3 TRP 33 -7.417 -1.751 8.325 285 HZ2 TRP 33 HZ2 TRP 33 -3.802 1.054 10.285 286 HZ3 TRP 33 HZ3 TRP 33 -6.424 -2.355 10.507 287 HH2 TRP 33 HH2 TRP 33 -4.599 -0.964 11.482 288 H TYR 34 H TYR 34 -8.562 2.303 8.278 289 HA TYR 34 HA TYR 34 -9.353 4.602 6.587 290 HB2 TYR 34 HB2 TYR 34 -10.757 4.122 8.674 291 HB3 TYR 34 HB3 TYR 34 -9.343 4.557 9.618 292 HD1 TYR 34 HD1 TYR 34 -8.216 6.906 8.996 293 HD2 TYR 34 HD2 TYR 34 -12.273 5.785 8.048 294 HE1 TYR 34 HE1 TYR 34 -8.737 9.261 8.429 295 HE2 TYR 34 HE2 TYR 34 -12.818 8.132 7.569 296 HH TYR 34 HH TYR 34 -11.921 10.196 7.102 297 H TYR 35 H TYR 35 -7.545 5.527 5.818 298 HA TYR 35 HA TYR 35 -4.964 5.318 7.248 299 HB2 TYR 35 HB2 TYR 35 -5.838 6.696 4.692 300 HB3 TYR 35 HB3 TYR 35 -4.187 6.749 5.362 301 HD1 TYR 35 HD1 TYR 35 -2.854 4.674 5.582 302 HD2 TYR 35 HD2 TYR 35 -6.656 4.768 3.554 303 HE1 TYR 35 HE1 TYR 35 -2.380 2.468 4.590 304 HE2 TYR 35 HE2 TYR 35 -6.151 2.618 2.467 305 HH TYR 35 HH TYR 35 -3.426 0.638 3.648 306 H ASP 36 H ASP 36 -4.534 6.744 8.830 307 HA ASP 36 HA ASP 36 -5.839 9.396 8.850 308 HB2 ASP 36 HB2 ASP 36 -5.687 9.250 11.257 309 HB3 ASP 36 HB3 ASP 36 -6.699 7.975 10.597 310 H THR 37 H THR 37 -2.960 8.103 7.957 311 HA THR 37 HA THR 37 -1.756 10.640 8.121 312 HB THR 37 HB THR 37 0.381 9.076 9.225 313 HG1 THR 37 HG1 THR 37 -2.000 9.128 10.746 314 HG21 THR 37 HG21 THR 37 -1.330 11.394 10.215 315 HG22 THR 37 HG22 THR 37 0.227 11.495 9.336 316 HG23 THR 37 HG23 THR 37 0.200 10.879 10.993 317 H ASN 38 H ASN 38 0.610 10.372 7.153 318 HA ASN 38 HA ASN 38 0.179 9.423 4.430 319 HB2 ASN 38 HB2 ASN 38 2.750 10.342 5.680 320 HB3 ASN 38 HB3 ASN 38 2.215 10.225 3.992 321 HD21 ASN 38 HD21 ASN 38 2.052 12.019 6.991 322 HD22 ASN 38 HD22 ASN 38 1.349 13.497 6.340 323 H GLU 39 H GLU 39 -0.197 7.262 4.734 324 HA GLU 39 HA GLU 39 2.011 5.542 5.750 325 HB2 GLU 39 HB2 GLU 39 -0.361 4.843 6.169 326 HB3 GLU 39 HB3 GLU 39 -0.579 4.605 4.428 327 HG2 GLU 39 HG2 GLU 39 1.215 2.920 4.389 328 HG3 GLU 39 HG3 GLU 39 1.655 3.280 6.062 329 H THR 40 H THR 40 3.723 5.379 4.480 330 HA THR 40 HA THR 40 3.350 5.170 1.547 331 HB THR 40 HB THR 40 5.878 5.394 3.269 332 HG1 THR 40 HG1 THR 40 4.234 7.203 2.258 333 HG21 THR 40 HG21 THR 40 6.281 4.030 1.210 334 HG22 THR 40 HG22 THR 40 7.059 5.618 1.115 335 HG23 THR 40 HG23 THR 40 5.548 5.319 0.228 336 H CYS 41 H CYS 41 3.432 3.047 0.691 337 HA CYS 41 HA CYS 41 4.681 1.007 2.369 338 HB2 CYS 41 HB2 CYS 41 2.859 -0.626 2.046 339 HB3 CYS 41 HB3 CYS 41 2.385 0.721 3.093 340 HG CYS 41 HG CYS 41 1.906 0.747 -0.165 341 H TYR 42 H TYR 42 5.447 -0.749 1.268 342 HA TYR 42 HA TYR 42 5.493 -0.537 -1.695 343 HB2 TYR 42 HB2 TYR 42 7.592 0.376 -0.664 344 HB3 TYR 42 HB3 TYR 42 7.834 -1.173 0.141 345 HD1 TYR 42 HD1 TYR 42 7.113 0.196 -3.320 346 HD2 TYR 42 HD2 TYR 42 9.127 -2.794 -0.962 347 HE1 TYR 42 HE1 TYR 42 8.136 -0.711 -5.361 348 HE2 TYR 42 HE2 TYR 42 10.180 -3.708 -2.998 349 HH TYR 42 HH TYR 42 10.430 -3.477 -5.267 350 H ILE 43 H ILE 43 4.736 -2.272 -2.538 351 HA ILE 43 HA ILE 43 3.928 -4.595 -0.949 352 HB ILE 43 HB ILE 43 3.655 -3.988 -3.915 353 HG12 ILE 43 HG12 ILE 43 2.778 -1.992 -2.844 354 HG13 ILE 43 HG13 ILE 43 1.489 -2.892 -3.583 355 HG21 ILE 43 HG21 ILE 43 1.615 -5.372 -3.748 356 HG22 ILE 43 HG22 ILE 43 3.057 -6.278 -3.264 357 HG23 ILE 43 HG23 ILE 43 1.960 -5.670 -2.025 358 HD11 ILE 43 HD11 ILE 43 2.139 -3.101 -0.605 359 HD12 ILE 43 HD12 ILE 43 1.006 -1.925 -1.286 360 HD13 ILE 43 HD13 ILE 43 0.673 -3.667 -1.475 361 H LEU 44 H LEU 44 5.166 -6.489 -0.850 362 HA LEU 44 HA LEU 44 7.480 -6.631 -2.720 363 HB2 LEU 44 HB2 LEU 44 6.906 -8.277 -0.217 364 HB3 LEU 44 HB3 LEU 44 8.414 -8.204 -1.097 365 HG LEU 44 HG LEU 44 7.186 -5.959 0.562 366 HD11 LEU 44 HD11 LEU 44 8.147 -7.951 1.762 367 HD12 LEU 44 HD12 LEU 44 8.999 -6.437 2.092 368 HD13 LEU 44 HD13 LEU 44 9.693 -7.615 0.948 369 HD21 LEU 44 HD21 LEU 44 9.363 -4.799 0.188 370 HD22 LEU 44 HD22 LEU 44 8.433 -4.987 -1.310 371 HD23 LEU 44 HD23 LEU 44 9.819 -6.058 -0.988 372 H GLU 45 H GLU 45 4.517 -8.327 -1.824 373 HA GLU 45 HA GLU 45 4.619 -9.947 -4.174 374 HB2 GLU 45 HB2 GLU 45 4.337 -12.081 -3.064 375 HB3 GLU 45 HB3 GLU 45 5.937 -11.419 -2.775 376 HG2 GLU 45 HG2 GLU 45 5.320 -10.749 -0.526 377 HG3 GLU 45 HG3 GLU 45 3.649 -11.276 -0.763 378 H GLY 46 H GLY 46 2.459 -11.122 -4.284 379 HA2 GLY 46 HA2 GLY 46 0.314 -11.618 -3.391 380 HA3 GLY 46 HA3 GLY 46 0.418 -10.221 -2.329 381 H LYS 47 H LYS 47 -1.876 -10.055 -3.224 382 HA LYS 47 HA LYS 47 -1.798 -7.969 -5.270 383 HB2 LYS 47 HB2 LYS 47 -2.611 -10.556 -6.071 384 HB3 LYS 47 HB3 LYS 47 -4.122 -9.726 -5.744 385 HG2 LYS 47 HG2 LYS 47 -1.875 -8.784 -7.568 386 HG3 LYS 47 HG3 LYS 47 -3.365 -9.549 -8.089 387 HD2 LYS 47 HD2 LYS 47 -3.260 -6.857 -6.699 388 HD3 LYS 47 HD3 LYS 47 -3.225 -7.070 -8.417 389 HE2 LYS 47 HE2 LYS 47 -5.524 -7.920 -6.595 390 HE3 LYS 47 HE3 LYS 47 -5.455 -6.442 -7.557 391 HZ1 LYS 47 HZ1 LYS 47 -6.534 -7.744 -9.035 392 HZ2 LYS 47 HZ2 LYS 47 -5.960 -9.166 -8.455 393 HZ3 LYS 47 HZ3 LYS 47 -5.038 -8.215 -9.459 394 H VAL 48 H VAL 48 -3.391 -6.466 -4.940 395 HA VAL 48 HA VAL 48 -5.413 -6.949 -2.861 396 HB VAL 48 HB VAL 48 -3.353 -4.710 -2.883 397 HG11 VAL 48 HG11 VAL 48 -5.487 -3.644 -2.306 398 HG12 VAL 48 HG12 VAL 48 -5.786 -4.871 -1.055 399 HG13 VAL 48 HG13 VAL 48 -4.436 -3.728 -0.910 400 HG21 VAL 48 HG21 VAL 48 -4.107 -6.721 -0.726 401 HG22 VAL 48 HG22 VAL 48 -2.648 -6.785 -1.731 402 HG23 VAL 48 HG23 VAL 48 -2.855 -5.459 -0.600 403 H GLU 49 H GLU 49 -7.163 -5.504 -2.995 404 HA GLU 49 HA GLU 49 -7.308 -3.645 -5.279 405 HB2 GLU 49 HB2 GLU 49 -9.129 -5.926 -4.575 406 HB3 GLU 49 HB3 GLU 49 -9.936 -4.380 -4.728 407 HG2 GLU 49 HG2 GLU 49 -8.691 -4.142 -7.004 408 HG3 GLU 49 HG3 GLU 49 -8.319 -5.848 -6.832 409 H VAL 50 H VAL 50 -7.615 -1.634 -4.485 410 HA VAL 50 HA VAL 50 -8.592 -1.281 -1.687 411 HB VAL 50 HB VAL 50 -6.771 0.561 -3.291 412 HG11 VAL 50 HG11 VAL 50 -8.127 1.727 -1.620 413 HG12 VAL 50 HG12 VAL 50 -7.626 0.543 -0.386 414 HG13 VAL 50 HG13 VAL 50 -6.434 1.656 -1.101 415 HG21 VAL 50 HG21 VAL 50 -6.059 -1.467 -1.146 416 HG22 VAL 50 HG22 VAL 50 -5.459 -1.397 -2.825 417 HG23 VAL 50 HG23 VAL 50 -4.987 -0.149 -1.676 418 H THR 51 H THR 51 -10.688 -0.604 -1.722 419 HA THR 51 HA THR 51 -11.725 0.702 -4.206 420 HB THR 51 HB THR 51 -13.145 -1.000 -2.122 421 HG1 THR 51 HG1 THR 51 -12.706 -2.731 -3.456 422 HG21 THR 51 HG21 THR 51 -14.638 0.449 -3.497 423 HG22 THR 51 HG22 THR 51 -14.838 -1.262 -3.947 424 HG23 THR 51 HG23 THR 51 -13.912 -0.181 -4.984 425 H THR 52 H THR 52 -11.829 2.925 -3.763 426 HA THR 52 HA THR 52 -12.175 3.800 -0.976 427 HB THR 52 HB THR 52 -11.715 6.005 -1.774 428 HG1 THR 52 HG1 THR 52 -11.672 4.893 -4.404 429 HG21 THR 52 HG21 THR 52 -9.744 4.487 -1.538 430 HG22 THR 52 HG22 THR 52 -9.513 5.799 -2.680 431 HG23 THR 52 HG23 THR 52 -9.818 4.147 -3.276 432 H GLU 53 H GLU 53 -13.836 5.756 -0.701 433 HA GLU 53 HA GLU 53 -16.415 4.702 -0.831 434 HB2 GLU 53 HB2 GLU 53 -15.783 6.424 0.700 435 HB3 GLU 53 HB3 GLU 53 -15.406 7.541 -0.630 436 HG2 GLU 53 HG2 GLU 53 -17.835 7.475 -1.316 437 HG3 GLU 53 HG3 GLU 53 -18.151 6.440 0.080 438 H ASP 54 H ASP 54 -14.723 6.886 -3.072 439 HA ASP 54 HA ASP 54 -16.907 7.598 -4.691 440 HB2 ASP 54 HB2 ASP 54 -13.971 7.330 -5.422 441 HB3 ASP 54 HB3 ASP 54 -15.175 8.184 -6.394 442 H GLY 55 H GLY 55 -15.323 4.538 -4.511 443 HA2 GLY 55 HA2 GLY 55 -15.534 2.620 -5.860 444 HA3 GLY 55 HA3 GLY 55 -16.452 3.535 -7.057 445 H LYS 56 H LYS 56 -13.781 5.396 -6.202 446 HA LYS 56 HA LYS 56 -12.171 4.756 -8.557 447 HB2 LYS 56 HB2 LYS 56 -11.789 6.568 -6.149 448 HB3 LYS 56 HB3 LYS 56 -10.442 6.193 -7.201 449 HG2 LYS 56 HG2 LYS 56 -12.981 7.118 -8.533 450 HG3 LYS 56 HG3 LYS 56 -12.059 8.317 -7.623 451 HD2 LYS 56 HD2 LYS 56 -10.163 8.145 -8.993 452 HD3 LYS 56 HD3 LYS 56 -10.594 6.542 -9.585 453 HE2 LYS 56 HE2 LYS 56 -10.848 8.272 -11.327 454 HE3 LYS 56 HE3 LYS 56 -12.338 7.390 -10.981 455 HZ1 LYS 56 HZ1 LYS 56 -13.130 9.254 -9.726 456 HZ2 LYS 56 HZ2 LYS 56 -12.731 9.719 -11.234 457 HZ3 LYS 56 HZ3 LYS 56 -11.743 10.100 -9.951 458 H LYS 57 H LYS 57 -10.990 2.986 -8.635 459 HA LYS 57 HA LYS 57 -10.444 1.478 -6.172 460 HB2 LYS 57 HB2 LYS 57 -11.166 -0.444 -7.530 461 HB3 LYS 57 HB3 LYS 57 -12.447 0.708 -7.213 462 HG2 LYS 57 HG2 LYS 57 -12.014 1.604 -9.580 463 HG3 LYS 57 HG3 LYS 57 -10.962 0.203 -9.818 464 HD2 LYS 57 HD2 LYS 57 -13.880 0.040 -8.973 465 HD3 LYS 57 HD3 LYS 57 -13.331 0.017 -10.668 466 HE2 LYS 57 HE2 LYS 57 -11.983 -2.019 -10.215 467 HE3 LYS 57 HE3 LYS 57 -12.600 -2.041 -8.549 468 HZ1 LYS 57 HZ1 LYS 57 -13.934 -3.494 -9.799 469 HZ2 LYS 57 HZ2 LYS 57 -14.169 -2.436 -11.034 470 HZ3 LYS 57 HZ3 LYS 57 -14.863 -2.187 -9.551 471 H TYR 58 H TYR 58 -8.481 0.560 -6.037 472 HA TYR 58 HA TYR 58 -6.574 1.021 -8.280 473 HB2 TYR 58 HB2 TYR 58 -6.041 1.383 -5.318 474 HB3 TYR 58 HB3 TYR 58 -4.950 1.694 -6.647 475 HD1 TYR 58 HD1 TYR 58 -5.447 3.660 -8.243 476 HD2 TYR 58 HD2 TYR 58 -7.529 3.060 -4.512 477 HE1 TYR 58 HE1 TYR 58 -6.149 6.045 -8.245 478 HE2 TYR 58 HE2 TYR 58 -8.171 5.474 -4.501 479 HH TYR 58 HH TYR 58 -8.395 7.372 -5.778 480 H VAL 59 H VAL 59 -5.803 -0.844 -8.953 481 HA VAL 59 HA VAL 59 -5.436 -3.259 -7.265 482 HB VAL 59 HB VAL 59 -4.814 -2.526 -10.169 483 HG11 VAL 59 HG11 VAL 59 -3.087 -4.088 -9.454 484 HG12 VAL 59 HG12 VAL 59 -4.303 -5.103 -8.668 485 HG13 VAL 59 HG13 VAL 59 -4.263 -4.964 -10.440 486 HG21 VAL 59 HG21 VAL 59 -6.509 -4.260 -10.663 487 HG22 VAL 59 HG22 VAL 59 -6.812 -4.475 -8.923 488 HG23 VAL 59 HG23 VAL 59 -7.201 -2.937 -9.733 489 H ILE 60 H ILE 60 -3.364 -3.752 -6.454 490 HA ILE 60 HA ILE 60 -1.029 -2.294 -7.457 491 HB ILE 60 HB ILE 60 -0.102 -2.186 -5.105 492 HG12 ILE 60 HG12 ILE 60 -3.033 -2.539 -4.304 493 HG13 ILE 60 HG13 ILE 60 -1.644 -3.541 -3.862 494 HG21 ILE 60 HG21 ILE 60 -0.831 -0.247 -6.484 495 HG22 ILE 60 HG22 ILE 60 -2.378 -0.260 -5.604 496 HG23 ILE 60 HG23 ILE 60 -0.839 0.006 -4.747 497 HD11 ILE 60 HD11 ILE 60 -0.714 -1.507 -2.647 498 HD12 ILE 60 HD12 ILE 60 -2.287 -0.727 -2.921 499 HD13 ILE 60 HD13 ILE 60 -2.196 -2.214 -1.962 500 H GLU 61 H GLU 61 0.861 -3.595 -7.425 501 HA GLU 61 HA GLU 61 0.740 -6.256 -6.240 502 HB2 GLU 61 HB2 GLU 61 1.279 -7.324 -8.181 503 HB3 GLU 61 HB3 GLU 61 -0.065 -6.310 -8.603 504 HG2 GLU 61 HG2 GLU 61 1.127 -5.643 -10.380 505 HG3 GLU 61 HG3 GLU 61 2.122 -4.700 -9.279 506 H LYS 62 H LYS 62 3.110 -7.160 -7.077 507 HA LYS 62 HA LYS 62 4.654 -6.145 -4.991 508 HB2 LYS 62 HB2 LYS 62 6.078 -8.016 -5.479 509 HB3 LYS 62 HB3 LYS 62 4.371 -8.470 -5.641 510 HG2 LYS 62 HG2 LYS 62 4.896 -7.873 -8.214 511 HG3 LYS 62 HG3 LYS 62 6.545 -8.267 -7.712 512 HD2 LYS 62 HD2 LYS 62 5.679 -10.433 -6.749 513 HD3 LYS 62 HD3 LYS 62 4.119 -10.086 -7.520 514 HE2 LYS 62 HE2 LYS 62 6.816 -10.309 -8.926 515 HE3 LYS 62 HE3 LYS 62 5.569 -11.562 -8.880 516 HZ1 LYS 62 HZ1 LYS 62 5.520 -10.261 -10.935 517 HZ2 LYS 62 HZ2 LYS 62 5.182 -8.908 -10.097 518 HZ3 LYS 62 HZ3 LYS 62 4.104 -10.157 -10.090 519 H GLY 63 H GLY 63 4.835 -3.924 -5.929 520 HA2 GLY 63 HA2 GLY 63 7.390 -3.087 -6.253 521 HA3 GLY 63 HA3 GLY 63 6.968 -3.483 -7.923 522 H ASP 64 H ASP 64 4.043 -2.449 -6.688 523 HA ASP 64 HA ASP 64 4.346 0.311 -7.623 524 HB2 ASP 64 HB2 ASP 64 2.081 -1.128 -6.162 525 HB3 ASP 64 HB3 ASP 64 2.026 0.523 -6.787 526 H LEU 65 H LEU 65 4.955 1.998 -6.202 527 HA LEU 65 HA LEU 65 5.071 1.490 -3.296 528 HB2 LEU 65 HB2 LEU 65 7.045 2.559 -4.383 529 HB3 LEU 65 HB3 LEU 65 5.974 3.794 -5.049 530 HG LEU 65 HG LEU 65 5.354 4.352 -2.583 531 HD11 LEU 65 HD11 LEU 65 7.202 3.805 -0.966 532 HD12 LEU 65 HD12 LEU 65 7.887 2.694 -2.155 533 HD13 LEU 65 HD13 LEU 65 6.286 2.377 -1.474 534 HD21 LEU 65 HD21 LEU 65 7.113 5.912 -2.433 535 HD22 LEU 65 HD22 LEU 65 6.814 5.652 -4.165 536 HD23 LEU 65 HD23 LEU 65 8.213 4.894 -3.388 537 H VAL 66 H VAL 66 3.522 2.613 -2.075 538 HA VAL 66 HA VAL 66 1.592 4.357 -3.525 539 HB VAL 66 HB VAL 66 1.018 2.502 -1.186 540 HG11 VAL 66 HG11 VAL 66 -0.500 4.374 -1.212 541 HG12 VAL 66 HG12 VAL 66 -0.798 4.181 -2.949 542 HG13 VAL 66 HG13 VAL 66 -1.374 2.962 -1.799 543 HG21 VAL 66 HG21 VAL 66 0.419 2.039 -4.129 544 HG22 VAL 66 HG22 VAL 66 1.450 1.043 -3.078 545 HG23 VAL 66 HG23 VAL 66 -0.287 1.108 -2.785 546 H THR 67 H THR 67 1.174 6.265 -2.522 547 HA THR 67 HA THR 67 2.081 6.714 0.269 548 HB THR 67 HB THR 67 2.225 8.757 -1.970 549 HG1 THR 67 HG1 THR 67 3.897 7.417 -2.317 550 HG21 THR 67 HG21 THR 67 3.038 10.317 -0.433 551 HG22 THR 67 HG22 THR 67 3.606 9.080 0.684 552 HG23 THR 67 HG23 THR 67 1.877 9.440 0.602 553 H PHE 68 H PHE 68 0.052 6.492 1.159 554 HA PHE 68 HA PHE 68 -2.365 7.514 -0.095 555 HB2 PHE 68 HB2 PHE 68 -1.632 6.582 2.710 556 HB3 PHE 68 HB3 PHE 68 -3.236 7.155 2.309 557 HD1 PHE 68 HD1 PHE 68 -4.616 5.966 0.528 558 HD2 PHE 68 HD2 PHE 68 -0.906 4.342 2.026 559 HE1 PHE 68 HE1 PHE 68 -5.201 3.752 -0.400 560 HE2 PHE 68 HE2 PHE 68 -1.493 2.142 1.086 561 HZ PHE 68 HZ PHE 68 -3.633 1.830 -0.141 562 HA PRO 69 HA PRO 69 -1.961 11.745 1.549 563 HB2 PRO 69 HB2 PRO 69 -4.523 12.550 1.899 564 HB3 PRO 69 HB3 PRO 69 -3.862 12.217 0.276 565 HG2 PRO 69 HG2 PRO 69 -5.532 10.399 2.012 566 HG3 PRO 69 HG3 PRO 69 -5.756 10.773 0.281 567 HD2 PRO 69 HD2 PRO 69 -4.432 8.534 1.211 568 HD3 PRO 69 HD3 PRO 69 -4.046 9.296 -0.344 569 H LYS 70 H LYS 70 -3.517 12.834 3.659 570 HA LYS 70 HA LYS 70 -3.334 10.846 5.880 571 HB2 LYS 70 HB2 LYS 70 -1.660 12.480 6.277 572 HB3 LYS 70 HB3 LYS 70 -2.712 13.821 5.846 573 HG2 LYS 70 HG2 LYS 70 -4.019 13.581 7.865 574 HG3 LYS 70 HG3 LYS 70 -3.199 12.069 8.294 575 HD2 LYS 70 HD2 LYS 70 -1.047 13.224 8.478 576 HD3 LYS 70 HD3 LYS 70 -1.811 14.742 7.999 577 HE2 LYS 70 HE2 LYS 70 -3.237 14.721 9.982 578 HE3 LYS 70 HE3 LYS 70 -2.657 13.122 10.446 579 HZ1 LYS 70 HZ1 LYS 70 -1.627 14.933 11.665 580 HZ2 LYS 70 HZ2 LYS 70 -0.955 15.529 10.292 581 HZ3 LYS 70 HZ3 LYS 70 -0.503 14.046 10.914 582 H GLY 71 H GLY 71 -5.436 10.101 5.879 583 HA2 GLY 71 HA2 GLY 71 -7.645 10.462 6.773 584 HA3 GLY 71 HA3 GLY 71 -7.669 12.066 6.048 585 H LEU 72 H LEU 72 -7.732 8.570 5.369 586 HA LEU 72 HA LEU 72 -9.481 8.950 3.021 587 HB2 LEU 72 HB2 LEU 72 -7.337 8.952 1.971 588 HB3 LEU 72 HB3 LEU 72 -6.856 7.466 2.783 589 HG LEU 72 HG LEU 72 -9.412 7.395 1.147 590 HD11 LEU 72 HD11 LEU 72 -8.134 6.923 -0.891 591 HD12 LEU 72 HD12 LEU 72 -6.603 7.198 -0.029 592 HD13 LEU 72 HD13 LEU 72 -7.734 8.556 -0.335 593 HD21 LEU 72 HD21 LEU 72 -8.763 5.416 2.293 594 HD22 LEU 72 HD22 LEU 72 -7.164 5.424 1.513 595 HD23 LEU 72 HD23 LEU 72 -8.646 5.218 0.546 596 H ARG 73 H ARG 73 -11.211 7.825 3.668 597 HA ARG 73 HA ARG 73 -10.848 5.225 5.059 598 HB2 ARG 73 HB2 ARG 73 -12.803 6.720 5.666 599 HB3 ARG 73 HB3 ARG 73 -13.385 6.567 4.006 600 HG2 ARG 73 HG2 ARG 73 -13.650 4.147 4.268 601 HG3 ARG 73 HG3 ARG 73 -12.923 4.197 5.888 602 HD2 ARG 73 HD2 ARG 73 -14.770 5.485 6.758 603 HD3 ARG 73 HD3 ARG 73 -15.413 5.765 5.143 604 HE ARG 73 HE ARG 73 -15.253 3.026 6.371 605 HH11 ARG 73 HH11 ARG 73 -17.206 5.441 4.563 606 HH12 ARG 73 HH12 ARG 73 -18.578 4.386 4.499 607 HH21 ARG 73 HH21 ARG 73 -16.946 1.703 6.106 608 HH22 ARG 73 HH22 ARG 73 -18.345 2.123 5.147 609 H CYS 74 H CYS 74 -10.647 3.379 3.789 610 HA CYS 74 HA CYS 74 -12.377 3.282 1.457 611 HB2 CYS 74 HB2 CYS 74 -10.718 2.348 -0.036 612 HB3 CYS 74 HB3 CYS 74 -10.282 3.988 0.457 613 HG CYS 74 HG CYS 74 -8.061 2.600 0.341 614 H ARG 75 H ARG 75 -11.836 0.760 0.516 615 HA ARG 75 HA ARG 75 -12.132 -0.872 2.950 616 HB2 ARG 75 HB2 ARG 75 -13.700 -2.040 1.899 617 HB3 ARG 75 HB3 ARG 75 -13.798 -0.558 1.051 618 HG2 ARG 75 HG2 ARG 75 -12.215 -1.689 -0.582 619 HG3 ARG 75 HG3 ARG 75 -12.474 -3.155 0.350 620 HD2 ARG 75 HD2 ARG 75 -14.252 -3.087 -1.457 621 HD3 ARG 75 HD3 ARG 75 -14.823 -3.085 0.235 622 HE ARG 75 HE ARG 75 -14.625 -0.411 -0.674 623 HH11 ARG 75 HH11 ARG 75 -16.632 -3.307 -1.309 624 HH12 ARG 75 HH12 ARG 75 -18.113 -2.400 -1.395 625 HH21 ARG 75 HH21 ARG 75 -16.711 0.729 -0.529 626 HH22 ARG 75 HH22 ARG 75 -18.146 -0.142 -0.802 627 H TRP 76 H TRP 76 -10.877 -3.151 2.606 628 HA TRP 76 HA TRP 76 -8.720 -2.959 0.585 629 HB2 TRP 76 HB2 TRP 76 -8.367 -2.958 3.524 630 HB3 TRP 76 HB3 TRP 76 -7.506 -4.244 2.691 631 HD1 TRP 76 HD1 TRP 76 -7.953 -0.438 2.117 632 HE1 TRP 76 HE1 TRP 76 -5.659 0.535 1.472 633 HE3 TRP 76 HE3 TRP 76 -5.112 -4.710 2.234 634 HZ2 TRP 76 HZ2 TRP 76 -3.002 -0.369 1.026 635 HZ3 TRP 76 HZ3 TRP 76 -2.681 -4.589 1.831 636 HH2 TRP 76 HH2 TRP 76 -1.605 -2.365 1.275 637 H LYS 77 H LYS 77 -8.778 -4.690 -0.658 638 HA LYS 77 HA LYS 77 -9.911 -7.238 0.410 639 HB2 LYS 77 HB2 LYS 77 -11.155 -5.878 -1.388 640 HB3 LYS 77 HB3 LYS 77 -9.805 -6.234 -2.460 641 HG2 LYS 77 HG2 LYS 77 -10.237 -8.673 -2.161 642 HG3 LYS 77 HG3 LYS 77 -11.584 -8.281 -1.096 643 HD2 LYS 77 HD2 LYS 77 -12.476 -6.827 -3.081 644 HD3 LYS 77 HD3 LYS 77 -11.327 -7.688 -4.066 645 HE2 LYS 77 HE2 LYS 77 -13.451 -8.765 -4.278 646 HE3 LYS 77 HE3 LYS 77 -12.460 -9.861 -3.301 647 HZ1 LYS 77 HZ1 LYS 77 -14.115 -7.906 -1.878 648 HZ2 LYS 77 HZ2 LYS 77 -13.776 -9.463 -1.481 649 HZ3 LYS 77 HZ3 LYS 77 -14.907 -9.109 -2.611 650 H VAL 78 H VAL 78 -8.094 -8.590 0.881 651 HA VAL 78 HA VAL 78 -5.690 -8.362 -0.775 652 HB VAL 78 HB VAL 78 -6.370 -10.539 1.218 653 HG11 VAL 78 HG11 VAL 78 -4.549 -11.052 -0.205 654 HG12 VAL 78 HG12 VAL 78 -3.762 -9.487 0.105 655 HG13 VAL 78 HG13 VAL 78 -3.898 -10.695 1.401 656 HG21 VAL 78 HG21 VAL 78 -5.051 -7.836 1.801 657 HG22 VAL 78 HG22 VAL 78 -6.533 -8.509 2.547 658 HG23 VAL 78 HG23 VAL 78 -4.967 -9.234 2.893 659 H LEU 79 H LEU 79 -5.592 -9.564 -2.581 660 HA LEU 79 HA LEU 79 -7.714 -11.621 -3.060 661 HB2 LEU 79 HB2 LEU 79 -6.231 -9.855 -5.040 662 HB3 LEU 79 HB3 LEU 79 -7.291 -11.195 -5.482 663 HG LEU 79 HG LEU 79 -8.155 -8.701 -3.933 664 HD11 LEU 79 HD11 LEU 79 -9.352 -8.082 -5.947 665 HD12 LEU 79 HD12 LEU 79 -8.748 -9.532 -6.796 666 HD13 LEU 79 HD13 LEU 79 -7.634 -8.244 -6.298 667 HD21 LEU 79 HD21 LEU 79 -10.482 -9.648 -4.528 668 HD22 LEU 79 HD22 LEU 79 -9.598 -10.522 -3.263 669 HD23 LEU 79 HD23 LEU 79 -9.662 -11.147 -4.908 670 H GLU 80 H GLU 80 -4.400 -11.011 -2.536 671 HA GLU 80 HA GLU 80 -3.897 -13.805 -2.466 672 HB2 GLU 80 HB2 GLU 80 -2.378 -12.030 -4.421 673 HB3 GLU 80 HB3 GLU 80 -1.597 -13.422 -3.728 674 HG2 GLU 80 HG2 GLU 80 -4.098 -13.566 -5.464 675 HG3 GLU 80 HG3 GLU 80 -2.453 -13.702 -6.023 676 HA PRO 81 HA PRO 81 -2.097 -12.308 1.128 677 HB2 PRO 81 HB2 PRO 81 0.124 -13.916 1.629 678 HB3 PRO 81 HB3 PRO 81 -1.575 -14.407 1.855 679 HG2 PRO 81 HG2 PRO 81 0.209 -14.898 -0.545 680 HG3 PRO 81 HG3 PRO 81 -0.849 -16.070 0.297 681 HD2 PRO 81 HD2 PRO 81 -1.668 -14.887 -1.964 682 HD3 PRO 81 HD3 PRO 81 -2.815 -15.083 -0.612 683 H VAL 82 H VAL 82 -1.003 -10.496 1.635 684 HA VAL 82 HA VAL 82 1.040 -9.588 -0.278 685 HB VAL 82 HB VAL 82 -1.231 -8.787 -0.694 686 HG11 VAL 82 HG11 VAL 82 -2.467 -7.468 0.805 687 HG12 VAL 82 HG12 VAL 82 -1.755 -8.681 1.888 688 HG13 VAL 82 HG13 VAL 82 -1.036 -7.089 1.777 689 HG21 VAL 82 HG21 VAL 82 -0.590 -6.367 -0.829 690 HG22 VAL 82 HG22 VAL 82 0.880 -6.756 0.129 691 HG23 VAL 82 HG23 VAL 82 0.605 -7.483 -1.466 692 H ARG 83 H ARG 83 2.741 -9.770 0.748 693 HA ARG 83 HA ARG 83 3.230 -8.718 3.504 694 HB2 ARG 83 HB2 ARG 83 4.707 -10.548 1.659 695 HB3 ARG 83 HB3 ARG 83 5.735 -9.447 2.546 696 HG2 ARG 83 HG2 ARG 83 4.885 -10.114 4.652 697 HG3 ARG 83 HG3 ARG 83 3.698 -11.202 3.914 698 HD2 ARG 83 HD2 ARG 83 6.526 -11.576 3.024 699 HD3 ARG 83 HD3 ARG 83 6.255 -11.857 4.707 700 HE ARG 83 HE ARG 83 5.129 -13.321 2.394 701 HH11 ARG 83 HH11 ARG 83 5.334 -13.139 5.950 702 HH12 ARG 83 HH12 ARG 83 4.463 -14.622 6.209 703 HH21 ARG 83 HH21 ARG 83 4.094 -15.314 2.743 704 HH22 ARG 83 HH22 ARG 83 3.738 -15.888 4.327 705 H LYS 84 H LYS 84 3.621 -6.665 3.700 706 HA LYS 84 HA LYS 84 5.116 -5.256 1.561 707 HB2 LYS 84 HB2 LYS 84 3.674 -3.546 1.253 708 HB3 LYS 84 HB3 LYS 84 2.500 -4.793 1.556 709 HG2 LYS 84 HG2 LYS 84 3.507 -2.688 3.514 710 HG3 LYS 84 HG3 LYS 84 1.983 -2.637 2.652 711 HD2 LYS 84 HD2 LYS 84 2.515 -4.979 4.508 712 HD3 LYS 84 HD3 LYS 84 2.182 -3.407 5.172 713 HE2 LYS 84 HE2 LYS 84 0.034 -4.186 5.043 714 HE3 LYS 84 HE3 LYS 84 0.144 -3.370 3.501 715 HZ1 LYS 84 HZ1 LYS 84 -0.771 -5.676 3.497 716 HZ2 LYS 84 HZ2 LYS 84 0.757 -6.261 3.669 717 HZ3 LYS 84 HZ3 LYS 84 0.345 -5.327 2.372 718 H HIS 85 H HIS 85 6.107 -3.377 2.304 719 HA HIS 85 HA HIS 85 6.859 -3.257 5.189 720 HB2 HIS 85 HB2 HIS 85 8.292 -2.508 2.613 721 HB3 HIS 85 HB3 HIS 85 8.622 -1.584 4.065 722 HD1 HIS 85 HD1 HIS 85 10.128 -4.455 2.433 723 HD2 HIS 85 HD2 HIS 85 9.232 -3.213 6.348 724 HE1 HIS 85 HE1 HIS 85 11.442 -5.972 4.009 725 H TYR 86 H TYR 86 6.099 -1.372 6.213 726 HA TYR 86 HA TYR 86 4.877 0.700 4.478 727 HB2 TYR 86 HB2 TYR 86 2.917 0.850 5.771 728 HB3 TYR 86 HB3 TYR 86 3.088 -0.842 5.341 729 HD1 TYR 86 HD1 TYR 86 4.232 -2.416 7.125 730 HD2 TYR 86 HD2 TYR 86 2.616 1.490 8.043 731 HE1 TYR 86 HE1 TYR 86 4.270 -2.953 9.530 732 HE2 TYR 86 HE2 TYR 86 2.638 0.938 10.443 733 HH TYR 86 HH TYR 86 2.696 -1.156 11.928 734 H ASN 87 H ASN 87 4.653 2.773 5.567 735 HA ASN 87 HA ASN 87 6.367 3.294 7.908 736 HB2 ASN 87 HB2 ASN 87 7.873 3.111 5.974 737 HB3 ASN 87 HB3 ASN 87 6.951 4.339 5.094 738 HD21 ASN 87 HD21 ASN 87 9.740 3.904 6.698 739 HD22 ASN 87 HD22 ASN 87 9.938 5.428 7.527 740 H LEU 88 H LEU 88 4.823 4.411 9.006 741 HA LEU 88 HA LEU 88 2.975 6.319 7.732 742 HB2 LEU 88 HB2 LEU 88 3.662 5.795 10.657 743 HB3 LEU 88 HB3 LEU 88 2.329 6.797 10.086 744 HG LEU 88 HG LEU 88 2.581 3.776 9.669 745 HD11 LEU 88 HD11 LEU 88 0.843 3.619 11.423 746 HD12 LEU 88 HD12 LEU 88 0.945 5.363 11.687 747 HD13 LEU 88 HD13 LEU 88 2.334 4.320 12.046 748 HD21 LEU 88 HD21 LEU 88 0.230 3.851 9.034 749 HD22 LEU 88 HD22 LEU 88 1.173 4.893 7.958 750 HD23 LEU 88 HD23 LEU 88 0.183 5.619 9.249 751 H PHE 89 H PHE 89 3.309 8.655 7.821 752 HA PHE 89 HA PHE 89 5.255 9.649 9.682 753 HB2 PHE 89 HB2 PHE 89 6.545 10.976 8.148 754 HB3 PHE 89 HB3 PHE 89 6.710 9.283 7.718 755 HD1 PHE 89 HD1 PHE 89 5.496 8.394 5.703 756 HD2 PHE 89 HD2 PHE 89 5.550 12.602 6.634 757 HE1 PHE 89 HE1 PHE 89 4.803 8.930 3.410 758 HE2 PHE 89 HE2 PHE 89 4.868 13.126 4.305 759 HZ PHE 89 HZ PHE 89 4.507 11.265 2.663 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -6.019 15.911 -2.579 2 HA MET 1 HA MET 1 -4.934 14.126 -0.487 3 HB2 MET 1 HB2 MET 1 -7.824 14.985 -0.972 4 HB3 MET 1 HB3 MET 1 -7.299 13.744 0.166 5 HG2 MET 1 HG2 MET 1 -7.649 15.715 1.432 6 HG3 MET 1 HG3 MET 1 -5.918 15.429 1.352 7 HE1 MET 1 HE1 MET 1 -8.885 17.838 0.522 8 HE2 MET 1 HE2 MET 1 -8.184 18.942 -0.675 9 HE3 MET 1 HE3 MET 1 -8.544 17.262 -1.127 10 H GLU 2 H GLU 2 -3.992 12.616 -2.088 11 HA GLU 2 HA GLU 2 -6.038 10.952 -3.366 12 HB2 GLU 2 HB2 GLU 2 -5.207 11.214 -5.552 13 HB3 GLU 2 HB3 GLU 2 -5.518 12.837 -4.927 14 HG2 GLU 2 HG2 GLU 2 -2.930 12.720 -4.310 15 HG3 GLU 2 HG3 GLU 2 -2.894 11.457 -5.546 16 H VAL 3 H VAL 3 -4.960 9.276 -4.737 17 HA VAL 3 HA VAL 3 -3.133 7.740 -3.046 18 HB VAL 3 HB VAL 3 -5.137 7.172 -5.273 19 HG11 VAL 3 HG11 VAL 3 -4.821 4.897 -5.253 20 HG12 VAL 3 HG12 VAL 3 -3.154 5.468 -5.116 21 HG13 VAL 3 HG13 VAL 3 -4.011 4.888 -3.686 22 HG21 VAL 3 HG21 VAL 3 -5.196 6.525 -2.302 23 HG22 VAL 3 HG22 VAL 3 -6.206 7.721 -3.123 24 HG23 VAL 3 HG23 VAL 3 -6.419 6.000 -3.469 25 H LYS 4 H LYS 4 -0.991 8.002 -3.653 26 HA LYS 4 HA LYS 4 -0.306 8.465 -6.519 27 HB2 LYS 4 HB2 LYS 4 0.954 9.450 -4.261 28 HB3 LYS 4 HB3 LYS 4 1.832 7.955 -4.469 29 HG2 LYS 4 HG2 LYS 4 3.089 9.528 -5.663 30 HG3 LYS 4 HG3 LYS 4 2.214 8.679 -6.935 31 HD2 LYS 4 HD2 LYS 4 0.614 10.552 -7.111 32 HD3 LYS 4 HD3 LYS 4 1.290 11.297 -5.662 33 HE2 LYS 4 HE2 LYS 4 2.105 12.532 -7.503 34 HE3 LYS 4 HE3 LYS 4 3.465 11.644 -6.816 35 HZ1 LYS 4 HZ1 LYS 4 3.491 10.204 -8.656 36 HZ2 LYS 4 HZ2 LYS 4 3.207 11.677 -9.304 37 HZ3 LYS 4 HZ3 LYS 4 1.964 10.619 -9.151 38 H ILE 5 H ILE 5 0.443 6.717 -7.760 39 HA ILE 5 HA ILE 5 1.447 4.358 -6.433 40 HB ILE 5 HB ILE 5 -0.613 4.027 -8.646 41 HG12 ILE 5 HG12 ILE 5 -1.064 3.350 -5.721 42 HG13 ILE 5 HG13 ILE 5 -1.734 4.758 -6.556 43 HG21 ILE 5 HG21 ILE 5 -0.363 1.651 -8.273 44 HG22 ILE 5 HG22 ILE 5 1.251 2.324 -8.451 45 HG23 ILE 5 HG23 ILE 5 0.661 1.937 -6.843 46 HD11 ILE 5 HD11 ILE 5 -2.371 1.884 -7.274 47 HD12 ILE 5 HD12 ILE 5 -3.415 3.028 -6.429 48 HD13 ILE 5 HD13 ILE 5 -2.963 3.330 -8.118 49 H GLU 6 H GLU 6 3.429 4.151 -7.405 50 HA GLU 6 HA GLU 6 3.664 4.476 -10.317 51 HB2 GLU 6 HB2 GLU 6 5.704 5.689 -8.397 52 HB3 GLU 6 HB3 GLU 6 5.741 5.705 -10.151 53 HG2 GLU 6 HG2 GLU 6 3.526 7.021 -10.033 54 HG3 GLU 6 HG3 GLU 6 3.879 7.231 -8.317 55 H LYS 7 H LYS 7 6.016 3.672 -10.917 56 HA LYS 7 HA LYS 7 6.789 1.333 -9.220 57 HB2 LYS 7 HB2 LYS 7 7.240 1.567 -12.212 58 HB3 LYS 7 HB3 LYS 7 7.671 0.244 -11.152 59 HG2 LYS 7 HG2 LYS 7 5.822 -0.483 -12.366 60 HG3 LYS 7 HG3 LYS 7 5.185 -0.123 -10.763 61 HD2 LYS 7 HD2 LYS 7 3.771 1.413 -11.573 62 HD3 LYS 7 HD3 LYS 7 4.998 2.252 -12.503 63 HE2 LYS 7 HE2 LYS 7 3.747 -0.325 -13.486 64 HE3 LYS 7 HE3 LYS 7 3.021 1.264 -13.782 65 HZ1 LYS 7 HZ1 LYS 7 4.369 0.670 -15.627 66 HZ2 LYS 7 HZ2 LYS 7 5.705 0.408 -14.718 67 HZ3 LYS 7 HZ3 LYS 7 5.075 1.925 -14.889 68 HA PRO 8 HA PRO 8 10.070 4.611 -9.176 69 HB2 PRO 8 HB2 PRO 8 11.018 3.988 -6.609 70 HB3 PRO 8 HB3 PRO 8 9.777 5.205 -7.024 71 HG2 PRO 8 HG2 PRO 8 9.405 2.454 -5.885 72 HG3 PRO 8 HG3 PRO 8 8.431 3.934 -5.655 73 HD2 PRO 8 HD2 PRO 8 7.779 1.809 -7.339 74 HD3 PRO 8 HD3 PRO 8 7.123 3.466 -7.453 75 H THR 9 H THR 9 12.506 4.365 -8.858 76 HA THR 9 HA THR 9 13.385 1.840 -10.016 77 HB THR 9 HB THR 9 14.588 3.553 -10.952 78 HG1 THR 9 HG1 THR 9 16.699 3.351 -10.228 79 HG21 THR 9 HG21 THR 9 14.869 4.797 -8.207 80 HG22 THR 9 HG22 THR 9 13.941 5.425 -9.594 81 HG23 THR 9 HG23 THR 9 15.698 5.383 -9.664 82 HA PRO 10 HA PRO 10 14.156 -0.137 -6.152 83 HB2 PRO 10 HB2 PRO 10 16.125 -1.937 -6.790 84 HB3 PRO 10 HB3 PRO 10 14.426 -2.084 -7.333 85 HG2 PRO 10 HG2 PRO 10 16.773 -0.913 -8.851 86 HG3 PRO 10 HG3 PRO 10 15.593 -2.133 -9.429 87 HD2 PRO 10 HD2 PRO 10 15.316 0.489 -10.017 88 HD3 PRO 10 HD3 PRO 10 13.880 -0.485 -9.618 89 H GLU 11 H GLU 11 16.943 1.317 -7.872 90 HA GLU 11 HA GLU 11 18.915 1.156 -5.847 91 HB2 GLU 11 HB2 GLU 11 18.250 3.287 -7.901 92 HB3 GLU 11 HB3 GLU 11 19.636 3.408 -6.810 93 HG2 GLU 11 HG2 GLU 11 20.457 1.216 -7.801 94 HG3 GLU 11 HG3 GLU 11 19.247 1.470 -9.088 95 H LYS 12 H LYS 12 16.336 3.532 -6.406 96 HA LYS 12 HA LYS 12 17.090 5.333 -4.309 97 HB2 LYS 12 HB2 LYS 12 15.593 5.780 -6.344 98 HB3 LYS 12 HB3 LYS 12 14.318 4.883 -5.511 99 HG2 LYS 12 HG2 LYS 12 13.891 7.190 -5.156 100 HG3 LYS 12 HG3 LYS 12 14.517 6.583 -3.620 101 HD2 LYS 12 HD2 LYS 12 16.761 7.510 -4.175 102 HD3 LYS 12 HD3 LYS 12 16.142 8.087 -5.742 103 HE2 LYS 12 HE2 LYS 12 14.596 9.590 -4.672 104 HE3 LYS 12 HE3 LYS 12 14.878 8.847 -3.090 105 HZ1 LYS 12 HZ1 LYS 12 16.041 10.899 -3.256 106 HZ2 LYS 12 HZ2 LYS 12 16.805 10.459 -4.612 107 HZ3 LYS 12 HZ3 LYS 12 17.153 9.700 -3.172 108 H LEU 13 H LEU 13 14.996 2.455 -4.447 109 HA LEU 13 HA LEU 13 13.968 2.797 -1.769 110 HB2 LEU 13 HB2 LEU 13 14.157 0.351 -3.577 111 HB3 LEU 13 HB3 LEU 13 13.329 0.397 -2.038 112 HG LEU 13 HG LEU 13 12.646 2.177 -4.425 113 HD11 LEU 13 HD11 LEU 13 10.665 0.732 -4.731 114 HD12 LEU 13 HD12 LEU 13 11.254 -0.350 -3.451 115 HD13 LEU 13 HD13 LEU 13 12.166 -0.167 -4.959 116 HD21 LEU 13 HD21 LEU 13 10.885 1.624 -2.018 117 HD22 LEU 13 HD22 LEU 13 10.729 2.867 -3.295 118 HD23 LEU 13 HD23 LEU 13 11.965 3.017 -2.074 119 H LYS 14 H LYS 14 16.913 1.256 -3.065 120 HA LYS 14 HA LYS 14 17.722 -0.023 -0.682 121 HB2 LYS 14 HB2 LYS 14 19.626 1.442 -2.507 122 HB3 LYS 14 HB3 LYS 14 19.948 0.137 -1.372 123 HG2 LYS 14 HG2 LYS 14 18.127 -1.184 -2.784 124 HG3 LYS 14 HG3 LYS 14 18.506 0.015 -4.024 125 HD2 LYS 14 HD2 LYS 14 20.429 -1.842 -2.661 126 HD3 LYS 14 HD3 LYS 14 19.795 -2.057 -4.306 127 HE2 LYS 14 HE2 LYS 14 20.913 0.069 -4.992 128 HE3 LYS 14 HE3 LYS 14 21.517 0.256 -3.341 129 HZ1 LYS 14 HZ1 LYS 14 23.234 -0.662 -4.656 130 HZ2 LYS 14 HZ2 LYS 14 22.255 -1.838 -5.257 131 HZ3 LYS 14 HZ3 LYS 14 22.729 -1.873 -3.680 132 H GLU 15 H GLU 15 18.051 3.353 -1.712 133 HA GLU 15 HA GLU 15 19.562 4.339 0.510 134 HB2 GLU 15 HB2 GLU 15 17.679 5.807 -1.362 135 HB3 GLU 15 HB3 GLU 15 18.667 6.585 -0.158 136 HG2 GLU 15 HG2 GLU 15 19.870 4.799 -2.301 137 HG3 GLU 15 HG3 GLU 15 19.481 6.495 -2.554 138 H LEU 16 H LEU 16 16.070 4.568 -0.221 139 HA LEU 16 HA LEU 16 15.157 5.856 2.123 140 HB2 LEU 16 HB2 LEU 16 13.746 3.941 0.269 141 HB3 LEU 16 HB3 LEU 16 12.984 4.977 1.488 142 HG LEU 16 HG LEU 16 14.423 6.069 -0.934 143 HD11 LEU 16 HD11 LEU 16 11.566 5.259 -0.356 144 HD12 LEU 16 HD12 LEU 16 12.508 5.147 -1.859 145 HD13 LEU 16 HD13 LEU 16 11.836 6.689 -1.341 146 HD21 LEU 16 HD21 LEU 16 14.483 7.571 0.959 147 HD22 LEU 16 HD22 LEU 16 12.714 7.382 1.202 148 HD23 LEU 16 HD23 LEU 16 13.380 8.175 -0.247 149 H SER 17 H SER 17 16.204 2.644 1.783 150 HA SER 17 HA SER 17 16.690 1.098 3.255 151 HB2 SER 17 HB2 SER 17 17.132 3.330 4.634 152 HB3 SER 17 HB3 SER 17 15.907 2.590 5.694 153 HG SER 17 HG SER 17 18.182 2.022 6.022 154 H VAL 18 H VAL 18 14.220 0.909 2.021 155 HA VAL 18 HA VAL 18 11.991 0.557 3.639 156 HB VAL 18 HB VAL 18 12.331 -1.523 1.504 157 HG11 VAL 18 HG11 VAL 18 10.266 -1.261 2.840 158 HG12 VAL 18 HG12 VAL 18 10.090 0.411 2.259 159 HG13 VAL 18 HG13 VAL 18 9.945 -0.961 1.123 160 HG21 VAL 18 HG21 VAL 18 11.853 -0.236 -0.356 161 HG22 VAL 18 HG22 VAL 18 11.503 1.222 0.553 162 HG23 VAL 18 HG23 VAL 18 13.180 0.643 0.405 163 H GLU 19 H GLU 19 14.668 -1.788 3.341 164 HA GLU 19 HA GLU 19 13.393 -3.947 4.617 165 HB2 GLU 19 HB2 GLU 19 15.671 -4.646 5.302 166 HB3 GLU 19 HB3 GLU 19 15.556 -4.272 3.590 167 HG2 GLU 19 HG2 GLU 19 16.932 -2.451 3.718 168 HG3 GLU 19 HG3 GLU 19 16.480 -2.035 5.363 169 H LYS 20 H LYS 20 14.410 -0.920 6.036 170 HA LYS 20 HA LYS 20 14.803 -2.000 8.729 171 HB2 LYS 20 HB2 LYS 20 16.010 -0.333 9.193 172 HB3 LYS 20 HB3 LYS 20 16.005 -0.143 7.421 173 HG2 LYS 20 HG2 LYS 20 14.502 1.530 7.444 174 HG3 LYS 20 HG3 LYS 20 14.213 1.304 9.192 175 HD2 LYS 20 HD2 LYS 20 16.382 2.165 9.763 176 HD3 LYS 20 HD3 LYS 20 17.023 1.818 8.159 177 HE2 LYS 20 HE2 LYS 20 16.853 4.036 7.879 178 HE3 LYS 20 HE3 LYS 20 15.236 3.555 7.354 179 HZ1 LYS 20 HZ1 LYS 20 14.795 5.257 8.866 180 HZ2 LYS 20 HZ2 LYS 20 16.056 4.908 9.822 181 HZ3 LYS 20 HZ3 LYS 20 14.704 3.966 9.878 182 H TRP 21 H TRP 21 12.126 -1.397 6.957 183 HA TRP 21 HA TRP 21 10.650 0.184 8.883 184 HB2 TRP 21 HB2 TRP 21 9.954 -1.057 6.198 185 HB3 TRP 21 HB3 TRP 21 8.914 -0.001 7.093 186 HD1 TRP 21 HD1 TRP 21 12.567 1.114 7.064 187 HE1 TRP 21 HE1 TRP 21 12.778 3.147 5.639 188 HE3 TRP 21 HE3 TRP 21 8.047 0.882 4.635 189 HZ2 TRP 21 HZ2 TRP 21 11.286 4.458 3.480 190 HZ3 TRP 21 HZ3 TRP 21 7.492 2.516 2.855 191 HH2 TRP 21 HH2 TRP 21 9.125 4.359 2.294 192 HA PRO 22 HA PRO 22 8.466 -3.514 10.430 193 HB2 PRO 22 HB2 PRO 22 5.873 -2.688 10.671 194 HB3 PRO 22 HB3 PRO 22 7.180 -2.150 11.766 195 HG2 PRO 22 HG2 PRO 22 6.105 -0.685 9.348 196 HG3 PRO 22 HG3 PRO 22 6.345 -0.069 11.013 197 HD2 PRO 22 HD2 PRO 22 8.249 0.348 9.097 198 HD3 PRO 22 HD3 PRO 22 8.704 -0.057 10.759 199 H ILE 23 H ILE 23 7.723 -5.285 9.404 200 HA ILE 23 HA ILE 23 6.543 -5.171 6.695 201 HB ILE 23 HB ILE 23 7.327 -7.462 8.563 202 HG12 ILE 23 HG12 ILE 23 8.366 -6.560 5.844 203 HG13 ILE 23 HG13 ILE 23 9.198 -6.283 7.346 204 HG21 ILE 23 HG21 ILE 23 6.037 -7.647 5.799 205 HG22 ILE 23 HG22 ILE 23 6.657 -9.021 6.747 206 HG23 ILE 23 HG23 ILE 23 5.269 -8.142 7.321 207 HD11 ILE 23 HD11 ILE 23 8.729 -9.001 6.068 208 HD12 ILE 23 HD12 ILE 23 10.243 -8.116 6.214 209 HD13 ILE 23 HD13 ILE 23 9.449 -8.747 7.674 210 H TRP 24 H TRP 24 4.351 -5.589 6.369 211 HA TRP 24 HA TRP 24 2.722 -6.500 8.653 212 HB2 TRP 24 HB2 TRP 24 2.214 -4.182 8.519 213 HB3 TRP 24 HB3 TRP 24 2.135 -4.209 6.772 214 HD1 TRP 24 HD1 TRP 24 0.015 -4.134 9.735 215 HE1 TRP 24 HE1 TRP 24 -2.461 -4.430 9.091 216 HE3 TRP 24 HE3 TRP 24 0.585 -6.074 5.052 217 HZ2 TRP 24 HZ2 TRP 24 -3.974 -5.052 6.732 218 HZ3 TRP 24 HZ3 TRP 24 -1.381 -6.546 3.647 219 HH2 TRP 24 HH2 TRP 24 -3.661 -5.947 4.414 220 H GLU 25 H GLU 25 1.016 -7.949 7.911 221 HA GLU 25 HA GLU 25 0.824 -8.597 5.082 222 HB2 GLU 25 HB2 GLU 25 1.150 -11.073 5.682 223 HB3 GLU 25 HB3 GLU 25 2.578 -10.079 5.456 224 HG2 GLU 25 HG2 GLU 25 3.205 -10.085 7.654 225 HG3 GLU 25 HG3 GLU 25 1.567 -10.295 8.276 226 H LYS 26 H LYS 26 -1.011 -10.237 4.761 227 HA LYS 26 HA LYS 26 -2.911 -10.525 6.957 228 HB2 LYS 26 HB2 LYS 26 -3.159 -8.437 4.858 229 HB3 LYS 26 HB3 LYS 26 -4.486 -9.571 4.785 230 HG2 LYS 26 HG2 LYS 26 -3.671 -8.292 7.404 231 HG3 LYS 26 HG3 LYS 26 -4.799 -7.506 6.280 232 HD2 LYS 26 HD2 LYS 26 -6.310 -9.474 6.401 233 HD3 LYS 26 HD3 LYS 26 -5.174 -10.279 7.428 234 HE2 LYS 26 HE2 LYS 26 -5.438 -8.147 8.992 235 HE3 LYS 26 HE3 LYS 26 -6.881 -7.835 8.010 236 HZ1 LYS 26 HZ1 LYS 26 -6.333 -10.141 9.770 237 HZ2 LYS 26 HZ2 LYS 26 -7.465 -10.242 8.632 238 HZ3 LYS 26 HZ3 LYS 26 -7.601 -9.113 9.851 239 H GLU 27 H GLU 27 -4.588 -11.949 6.442 240 HA GLU 27 HA GLU 27 -4.005 -14.017 4.482 241 HB2 GLU 27 HB2 GLU 27 -6.037 -14.985 5.251 242 HB3 GLU 27 HB3 GLU 27 -5.053 -14.517 6.608 243 HG2 GLU 27 HG2 GLU 27 -7.486 -13.003 5.540 244 HG3 GLU 27 HG3 GLU 27 -7.595 -14.277 6.745 245 H VAL 28 H VAL 28 -5.843 -14.754 3.108 246 HA VAL 28 HA VAL 28 -6.450 -12.649 1.163 247 HB VAL 28 HB VAL 28 -6.937 -15.659 1.103 248 HG11 VAL 28 HG11 VAL 28 -6.772 -13.555 -1.112 249 HG12 VAL 28 HG12 VAL 28 -6.945 -15.305 -1.379 250 HG13 VAL 28 HG13 VAL 28 -8.245 -14.393 -0.594 251 HG21 VAL 28 HG21 VAL 28 -4.547 -14.027 0.220 252 HG22 VAL 28 HG22 VAL 28 -4.573 -15.348 1.409 253 HG23 VAL 28 HG23 VAL 28 -4.842 -15.709 -0.302 254 H SER 29 H SER 29 -7.785 -11.545 2.716 255 HA SER 29 HA SER 29 -10.566 -12.323 2.419 256 HB2 SER 29 HB2 SER 29 -9.701 -13.302 4.648 257 HB3 SER 29 HB3 SER 29 -9.548 -11.637 5.210 258 HG SER 29 HG SER 29 -11.631 -12.081 5.703 259 H GLU 30 H GLU 30 -11.694 -10.195 3.866 260 HA GLU 30 HA GLU 30 -10.348 -7.804 2.808 261 HB2 GLU 30 HB2 GLU 30 -12.075 -7.261 1.260 262 HB3 GLU 30 HB3 GLU 30 -11.369 -8.807 0.865 263 HG2 GLU 30 HG2 GLU 30 -13.350 -9.819 0.878 264 HG3 GLU 30 HG3 GLU 30 -13.690 -9.326 2.535 265 H PHE 31 H PHE 31 -11.193 -5.900 3.320 266 HA PHE 31 HA PHE 31 -13.088 -5.614 5.541 267 HB2 PHE 31 HB2 PHE 31 -11.125 -4.790 6.977 268 HB3 PHE 31 HB3 PHE 31 -11.303 -6.515 6.756 269 HD1 PHE 31 HD1 PHE 31 -9.256 -3.564 5.763 270 HD2 PHE 31 HD2 PHE 31 -9.564 -7.873 5.773 271 HE1 PHE 31 HE1 PHE 31 -6.878 -3.724 5.140 272 HE2 PHE 31 HE2 PHE 31 -7.188 -8.033 5.107 273 HZ PHE 31 HZ PHE 31 -5.843 -5.969 4.781 274 H ASP 32 H ASP 32 -12.107 -3.121 6.442 275 HA ASP 32 HA ASP 32 -11.663 -1.531 4.034 276 HB2 ASP 32 HB2 ASP 32 -12.992 0.277 4.851 277 HB3 ASP 32 HB3 ASP 32 -13.975 -1.163 4.654 278 H TRP 33 H TRP 33 -10.423 0.477 4.557 279 HA TRP 33 HA TRP 33 -9.069 0.291 7.170 280 HB2 TRP 33 HB2 TRP 33 -7.642 -0.625 5.101 281 HB3 TRP 33 HB3 TRP 33 -7.389 1.067 4.789 282 HD1 TRP 33 HD1 TRP 33 -5.498 2.171 6.198 283 HE1 TRP 33 HE1 TRP 33 -4.252 1.639 8.389 284 HE3 TRP 33 HE3 TRP 33 -8.003 -2.086 7.529 285 HZ2 TRP 33 HZ2 TRP 33 -4.608 -0.193 10.625 286 HZ3 TRP 33 HZ3 TRP 33 -7.664 -3.096 9.757 287 HH2 TRP 33 HH2 TRP 33 -5.970 -2.148 11.307 288 H TYR 34 H TYR 34 -7.881 2.262 7.709 289 HA TYR 34 HA TYR 34 -8.968 4.743 6.570 290 HB2 TYR 34 HB2 TYR 34 -10.291 3.790 8.611 291 HB3 TYR 34 HB3 TYR 34 -8.937 4.341 9.570 292 HD1 TYR 34 HD1 TYR 34 -8.204 6.934 9.030 293 HD2 TYR 34 HD2 TYR 34 -12.068 5.175 8.252 294 HE1 TYR 34 HE1 TYR 34 -9.207 9.176 9.010 295 HE2 TYR 34 HE2 TYR 34 -13.109 7.399 8.310 296 HH TYR 34 HH TYR 34 -11.371 10.289 9.234 297 H TYR 35 H TYR 35 -6.899 5.211 5.710 298 HA TYR 35 HA TYR 35 -4.521 5.171 7.436 299 HB2 TYR 35 HB2 TYR 35 -4.972 6.423 4.703 300 HB3 TYR 35 HB3 TYR 35 -3.435 6.354 5.568 301 HD1 TYR 35 HD1 TYR 35 -2.524 4.024 6.269 302 HD2 TYR 35 HD2 TYR 35 -5.688 4.542 3.388 303 HE1 TYR 35 HE1 TYR 35 -2.225 1.692 5.509 304 HE2 TYR 35 HE2 TYR 35 -5.446 2.177 2.696 305 HH TYR 35 HH TYR 35 -3.699 -0.121 4.360 306 H ASP 36 H ASP 36 -4.143 6.692 8.971 307 HA ASP 36 HA ASP 36 -5.659 9.237 8.875 308 HB2 ASP 36 HB2 ASP 36 -5.989 9.257 11.110 309 HB3 ASP 36 HB3 ASP 36 -6.384 7.603 10.666 310 H THR 37 H THR 37 -2.583 7.926 8.555 311 HA THR 37 HA THR 37 -1.513 10.599 8.379 312 HB THR 37 HB THR 37 0.724 9.479 9.374 313 HG1 THR 37 HG1 THR 37 0.352 8.421 11.182 314 HG21 THR 37 HG21 THR 37 0.134 10.810 11.455 315 HG22 THR 37 HG22 THR 37 -1.460 11.106 10.703 316 HG23 THR 37 HG23 THR 37 0.006 11.654 9.895 317 H ASN 38 H ASN 38 0.712 10.441 7.441 318 HA ASN 38 HA ASN 38 0.476 9.332 4.812 319 HB2 ASN 38 HB2 ASN 38 3.076 10.235 6.094 320 HB3 ASN 38 HB3 ASN 38 2.555 10.347 4.418 321 HD21 ASN 38 HD21 ASN 38 2.532 11.850 7.617 322 HD22 ASN 38 HD22 ASN 38 1.818 13.354 7.055 323 H GLU 39 H GLU 39 0.452 7.125 4.711 324 HA GLU 39 HA GLU 39 2.451 5.594 6.313 325 HB2 GLU 39 HB2 GLU 39 0.094 5.254 6.973 326 HB3 GLU 39 HB3 GLU 39 -0.272 4.703 5.315 327 HG2 GLU 39 HG2 GLU 39 1.425 2.899 5.540 328 HG3 GLU 39 HG3 GLU 39 1.946 3.510 7.054 329 H THR 40 H THR 40 4.052 5.899 4.524 330 HA THR 40 HA THR 40 3.192 5.106 1.865 331 HB THR 40 HB THR 40 5.918 5.784 3.065 332 HG1 THR 40 HG1 THR 40 4.421 7.025 0.973 333 HG21 THR 40 HG21 THR 40 6.828 5.852 0.751 334 HG22 THR 40 HG22 THR 40 5.326 5.101 0.158 335 HG23 THR 40 HG23 THR 40 6.409 4.208 1.254 336 H CYS 41 H CYS 41 3.499 3.076 0.809 337 HA CYS 41 HA CYS 41 4.849 1.028 2.379 338 HB2 CYS 41 HB2 CYS 41 2.945 -0.495 2.363 339 HB3 CYS 41 HB3 CYS 41 2.515 0.982 3.228 340 HG CYS 41 HG CYS 41 0.427 0.290 1.957 341 H TYR 42 H TYR 42 5.238 -0.884 1.174 342 HA TYR 42 HA TYR 42 5.272 -0.382 -1.763 343 HB2 TYR 42 HB2 TYR 42 7.397 0.322 -0.688 344 HB3 TYR 42 HB3 TYR 42 7.569 -1.283 0.017 345 HD1 TYR 42 HD1 TYR 42 6.597 -0.016 -3.415 346 HD2 TYR 42 HD2 TYR 42 9.129 -2.562 -1.076 347 HE1 TYR 42 HE1 TYR 42 7.647 -0.713 -5.468 348 HE2 TYR 42 HE2 TYR 42 10.245 -3.337 -3.216 349 HH TYR 42 HH TYR 42 9.036 -2.164 -6.406 350 H ILE 43 H ILE 43 4.578 -2.041 -2.965 351 HA ILE 43 HA ILE 43 3.745 -4.461 -1.566 352 HB ILE 43 HB ILE 43 3.417 -3.722 -4.481 353 HG12 ILE 43 HG12 ILE 43 2.410 -1.853 -3.384 354 HG13 ILE 43 HG13 ILE 43 1.129 -2.911 -3.923 355 HG21 ILE 43 HG21 ILE 43 1.556 -5.261 -4.438 356 HG22 ILE 43 HG22 ILE 43 2.942 -6.109 -3.753 357 HG23 ILE 43 HG23 ILE 43 1.704 -5.477 -2.681 358 HD11 ILE 43 HD11 ILE 43 2.151 -2.647 -1.058 359 HD12 ILE 43 HD12 ILE 43 0.663 -1.973 -1.702 360 HD13 ILE 43 HD13 ILE 43 0.831 -3.727 -1.575 361 H LEU 44 H LEU 44 4.897 -6.283 -1.580 362 HA LEU 44 HA LEU 44 7.368 -6.443 -3.263 363 HB2 LEU 44 HB2 LEU 44 6.738 -7.170 -0.373 364 HB3 LEU 44 HB3 LEU 44 8.186 -7.731 -1.186 365 HG LEU 44 HG LEU 44 7.604 -4.764 -1.278 366 HD11 LEU 44 HD11 LEU 44 7.214 -5.408 1.077 367 HD12 LEU 44 HD12 LEU 44 8.630 -4.365 0.851 368 HD13 LEU 44 HD13 LEU 44 8.846 -6.118 1.127 369 HD21 LEU 44 HD21 LEU 44 10.075 -4.649 -1.213 370 HD22 LEU 44 HD22 LEU 44 9.504 -5.683 -2.530 371 HD23 LEU 44 HD23 LEU 44 10.160 -6.412 -1.049 372 H GLU 45 H GLU 45 4.652 -8.244 -1.826 373 HA GLU 45 HA GLU 45 4.608 -10.048 -4.006 374 HB2 GLU 45 HB2 GLU 45 4.606 -12.103 -2.727 375 HB3 GLU 45 HB3 GLU 45 6.169 -11.299 -2.561 376 HG2 GLU 45 HG2 GLU 45 5.499 -10.461 -0.333 377 HG3 GLU 45 HG3 GLU 45 3.960 -11.329 -0.467 378 H GLY 46 H GLY 46 2.437 -11.138 -3.878 379 HA2 GLY 46 HA2 GLY 46 0.283 -11.388 -3.230 380 HA3 GLY 46 HA3 GLY 46 0.547 -10.369 -1.825 381 H LYS 47 H LYS 47 -1.752 -9.816 -2.769 382 HA LYS 47 HA LYS 47 -1.556 -7.769 -4.908 383 HB2 LYS 47 HB2 LYS 47 -1.867 -10.427 -5.548 384 HB3 LYS 47 HB3 LYS 47 -3.534 -9.994 -5.182 385 HG2 LYS 47 HG2 LYS 47 -1.912 -8.164 -6.987 386 HG3 LYS 47 HG3 LYS 47 -2.432 -9.703 -7.625 387 HD2 LYS 47 HD2 LYS 47 -4.534 -9.051 -7.928 388 HD3 LYS 47 HD3 LYS 47 -4.664 -8.439 -6.280 389 HE2 LYS 47 HE2 LYS 47 -5.131 -6.706 -7.869 390 HE3 LYS 47 HE3 LYS 47 -3.796 -6.323 -6.825 391 HZ1 LYS 47 HZ1 LYS 47 -3.471 -7.308 -9.625 392 HZ2 LYS 47 HZ2 LYS 47 -2.235 -7.026 -8.603 393 HZ3 LYS 47 HZ3 LYS 47 -3.126 -5.792 -9.131 394 H VAL 48 H VAL 48 -3.313 -6.323 -4.942 395 HA VAL 48 HA VAL 48 -5.514 -6.902 -3.084 396 HB VAL 48 HB VAL 48 -3.791 -4.366 -3.065 397 HG11 VAL 48 HG11 VAL 48 -4.957 -3.653 -1.015 398 HG12 VAL 48 HG12 VAL 48 -6.047 -3.735 -2.377 399 HG13 VAL 48 HG13 VAL 48 -6.069 -5.021 -1.149 400 HG21 VAL 48 HG21 VAL 48 -3.094 -4.964 -0.811 401 HG22 VAL 48 HG22 VAL 48 -3.999 -6.500 -0.906 402 HG23 VAL 48 HG23 VAL 48 -2.591 -6.196 -1.946 403 H GLU 49 H GLU 49 -7.435 -5.675 -3.445 404 HA GLU 49 HA GLU 49 -7.492 -3.698 -5.644 405 HB2 GLU 49 HB2 GLU 49 -9.441 -5.843 -5.039 406 HB3 GLU 49 HB3 GLU 49 -10.152 -4.235 -4.965 407 HG2 GLU 49 HG2 GLU 49 -9.147 -3.761 -7.242 408 HG3 GLU 49 HG3 GLU 49 -8.725 -5.469 -7.337 409 H VAL 50 H VAL 50 -7.708 -1.654 -4.741 410 HA VAL 50 HA VAL 50 -8.824 -1.367 -1.965 411 HB VAL 50 HB VAL 50 -6.997 0.477 -3.566 412 HG11 VAL 50 HG11 VAL 50 -7.992 0.775 -0.712 413 HG12 VAL 50 HG12 VAL 50 -6.834 1.841 -1.544 414 HG13 VAL 50 HG13 VAL 50 -8.510 1.768 -2.100 415 HG21 VAL 50 HG21 VAL 50 -5.330 -0.001 -1.745 416 HG22 VAL 50 HG22 VAL 50 -6.427 -1.272 -1.139 417 HG23 VAL 50 HG23 VAL 50 -5.684 -1.394 -2.738 418 H THR 51 H THR 51 -10.735 -0.099 -1.815 419 HA THR 51 HA THR 51 -11.786 1.026 -4.375 420 HB THR 51 HB THR 51 -13.362 -0.693 -2.462 421 HG1 THR 51 HG1 THR 51 -13.193 -2.295 -3.885 422 HG21 THR 51 HG21 THR 51 -15.016 -0.789 -4.287 423 HG22 THR 51 HG22 THR 51 -14.024 0.312 -5.261 424 HG23 THR 51 HG23 THR 51 -14.760 0.874 -3.752 425 H THR 52 H THR 52 -11.909 3.225 -3.968 426 HA THR 52 HA THR 52 -12.359 4.262 -1.301 427 HB THR 52 HB THR 52 -12.438 6.416 -2.486 428 HG1 THR 52 HG1 THR 52 -12.059 6.489 -4.687 429 HG21 THR 52 HG21 THR 52 -10.073 6.428 -3.263 430 HG22 THR 52 HG22 THR 52 -10.050 4.652 -3.173 431 HG23 THR 52 HG23 THR 52 -10.289 5.610 -1.708 432 H GLU 53 H GLU 53 -14.167 6.015 -1.018 433 HA GLU 53 HA GLU 53 -16.623 4.582 -1.341 434 HB2 GLU 53 HB2 GLU 53 -16.006 6.219 0.534 435 HB3 GLU 53 HB3 GLU 53 -16.403 7.518 -0.611 436 HG2 GLU 53 HG2 GLU 53 -18.659 6.425 -0.955 437 HG3 GLU 53 HG3 GLU 53 -18.221 5.228 0.270 438 H ASP 54 H ASP 54 -15.008 7.166 -3.150 439 HA ASP 54 HA ASP 54 -17.087 7.839 -4.967 440 HB2 ASP 54 HB2 ASP 54 -14.086 8.050 -4.969 441 HB3 ASP 54 HB3 ASP 54 -14.922 8.247 -6.507 442 H GLY 55 H GLY 55 -15.734 4.776 -4.549 443 HA2 GLY 55 HA2 GLY 55 -16.454 2.907 -5.571 444 HA3 GLY 55 HA3 GLY 55 -17.232 3.881 -6.830 445 H LYS 56 H LYS 56 -14.101 4.940 -6.790 446 HA LYS 56 HA LYS 56 -13.257 3.453 -9.140 447 HB2 LYS 56 HB2 LYS 56 -11.800 5.283 -7.149 448 HB3 LYS 56 HB3 LYS 56 -10.928 4.330 -8.338 449 HG2 LYS 56 HG2 LYS 56 -12.438 5.269 -10.141 450 HG3 LYS 56 HG3 LYS 56 -12.958 6.439 -8.914 451 HD2 LYS 56 HD2 LYS 56 -10.754 7.371 -8.746 452 HD3 LYS 56 HD3 LYS 56 -10.036 6.003 -9.632 453 HE2 LYS 56 HE2 LYS 56 -11.319 6.616 -11.654 454 HE3 LYS 56 HE3 LYS 56 -11.997 8.014 -10.819 455 HZ1 LYS 56 HZ1 LYS 56 -9.819 8.972 -10.689 456 HZ2 LYS 56 HZ2 LYS 56 -10.010 8.441 -12.244 457 HZ3 LYS 56 HZ3 LYS 56 -9.101 7.581 -11.227 458 H LYS 57 H LYS 57 -11.620 1.847 -9.192 459 HA LYS 57 HA LYS 57 -10.957 0.629 -6.582 460 HB2 LYS 57 HB2 LYS 57 -11.373 -0.649 -9.301 461 HB3 LYS 57 HB3 LYS 57 -10.184 -1.303 -8.189 462 HG2 LYS 57 HG2 LYS 57 -11.743 -2.313 -6.953 463 HG3 LYS 57 HG3 LYS 57 -12.571 -0.794 -6.656 464 HD2 LYS 57 HD2 LYS 57 -13.862 -1.032 -8.739 465 HD3 LYS 57 HD3 LYS 57 -13.041 -2.581 -9.059 466 HE2 LYS 57 HE2 LYS 57 -13.843 -3.348 -6.756 467 HE3 LYS 57 HE3 LYS 57 -14.837 -1.886 -6.682 468 HZ1 LYS 57 HZ1 LYS 57 -15.042 -4.038 -8.700 469 HZ2 LYS 57 HZ2 LYS 57 -16.009 -2.683 -8.654 470 HZ3 LYS 57 HZ3 LYS 57 -16.082 -3.789 -7.465 471 H TYR 58 H TYR 58 -8.779 -0.010 -6.479 472 HA TYR 58 HA TYR 58 -7.012 0.936 -8.592 473 HB2 TYR 58 HB2 TYR 58 -6.251 0.957 -5.652 474 HB3 TYR 58 HB3 TYR 58 -5.191 1.304 -7.007 475 HD1 TYR 58 HD1 TYR 58 -5.592 3.385 -8.432 476 HD2 TYR 58 HD2 TYR 58 -7.745 2.661 -4.760 477 HE1 TYR 58 HE1 TYR 58 -6.250 5.776 -8.339 478 HE2 TYR 58 HE2 TYR 58 -8.447 5.036 -4.714 479 HH TYR 58 HH TYR 58 -7.665 7.246 -5.525 480 H VAL 59 H VAL 59 -5.245 -0.583 -8.797 481 HA VAL 59 HA VAL 59 -5.577 -3.277 -7.650 482 HB VAL 59 HB VAL 59 -5.484 -2.522 -10.617 483 HG11 VAL 59 HG11 VAL 59 -5.347 -4.931 -11.051 484 HG12 VAL 59 HG12 VAL 59 -3.979 -4.409 -10.066 485 HG13 VAL 59 HG13 VAL 59 -5.352 -5.263 -9.309 486 HG21 VAL 59 HG21 VAL 59 -7.559 -3.867 -10.785 487 HG22 VAL 59 HG22 VAL 59 -7.523 -4.164 -9.034 488 HG23 VAL 59 HG23 VAL 59 -7.795 -2.535 -9.661 489 H ILE 60 H ILE 60 -3.585 -3.814 -6.967 490 HA ILE 60 HA ILE 60 -1.178 -2.580 -8.179 491 HB ILE 60 HB ILE 60 -0.330 -2.447 -5.659 492 HG12 ILE 60 HG12 ILE 60 -3.206 -1.663 -5.305 493 HG13 ILE 60 HG13 ILE 60 -2.583 -3.247 -4.772 494 HG21 ILE 60 HG21 ILE 60 -0.801 -0.035 -5.710 495 HG22 ILE 60 HG22 ILE 60 -0.353 -0.622 -7.315 496 HG23 ILE 60 HG23 ILE 60 -2.059 -0.298 -6.939 497 HD11 ILE 60 HD11 ILE 60 -2.673 -1.869 -2.851 498 HD12 ILE 60 HD12 ILE 60 -0.963 -1.913 -3.317 499 HD13 ILE 60 HD13 ILE 60 -1.975 -0.490 -3.703 500 H GLU 61 H GLU 61 0.539 -3.897 -8.233 501 HA GLU 61 HA GLU 61 0.452 -6.509 -6.836 502 HB2 GLU 61 HB2 GLU 61 1.151 -7.616 -8.744 503 HB3 GLU 61 HB3 GLU 61 -0.273 -6.724 -9.166 504 HG2 GLU 61 HG2 GLU 61 0.840 -5.933 -10.968 505 HG3 GLU 61 HG3 GLU 61 1.752 -4.917 -9.851 506 H LYS 62 H LYS 62 2.836 -7.525 -7.608 507 HA LYS 62 HA LYS 62 4.227 -6.454 -5.390 508 HB2 LYS 62 HB2 LYS 62 5.442 -8.506 -5.511 509 HB3 LYS 62 HB3 LYS 62 3.722 -8.787 -5.757 510 HG2 LYS 62 HG2 LYS 62 4.702 -8.559 -8.372 511 HG3 LYS 62 HG3 LYS 62 6.058 -9.270 -7.523 512 HD2 LYS 62 HD2 LYS 62 5.047 -11.228 -7.945 513 HD3 LYS 62 HD3 LYS 62 4.029 -10.884 -6.567 514 HE2 LYS 62 HE2 LYS 62 2.182 -10.308 -7.889 515 HE3 LYS 62 HE3 LYS 62 3.214 -9.646 -9.164 516 HZ1 LYS 62 HZ1 LYS 62 2.661 -12.502 -8.762 517 HZ2 LYS 62 HZ2 LYS 62 3.784 -11.900 -9.797 518 HZ3 LYS 62 HZ3 LYS 62 2.207 -11.551 -10.017 519 H GLY 63 H GLY 63 4.586 -4.400 -6.793 520 HA2 GLY 63 HA2 GLY 63 7.327 -3.961 -6.646 521 HA3 GLY 63 HA3 GLY 63 6.977 -4.168 -8.362 522 H ASP 64 H ASP 64 4.104 -2.852 -7.191 523 HA ASP 64 HA ASP 64 4.807 -0.122 -7.993 524 HB2 ASP 64 HB2 ASP 64 2.266 -1.594 -7.153 525 HB3 ASP 64 HB3 ASP 64 2.315 0.155 -7.312 526 H LEU 65 H LEU 65 4.947 1.613 -6.555 527 HA LEU 65 HA LEU 65 4.770 1.024 -3.650 528 HB2 LEU 65 HB2 LEU 65 6.761 2.295 -5.046 529 HB3 LEU 65 HB3 LEU 65 5.817 3.684 -4.539 530 HG LEU 65 HG LEU 65 6.392 1.570 -2.481 531 HD11 LEU 65 HD11 LEU 65 8.499 3.541 -3.365 532 HD12 LEU 65 HD12 LEU 65 8.524 1.798 -3.722 533 HD13 LEU 65 HD13 LEU 65 8.634 2.345 -2.043 534 HD21 LEU 65 HD21 LEU 65 6.620 4.360 -1.871 535 HD22 LEU 65 HD22 LEU 65 6.599 2.847 -0.892 536 HD23 LEU 65 HD23 LEU 65 5.154 3.356 -1.755 537 H VAL 66 H VAL 66 3.591 2.481 -2.313 538 HA VAL 66 HA VAL 66 1.557 4.040 -3.739 539 HB VAL 66 HB VAL 66 1.002 1.991 -1.543 540 HG11 VAL 66 HG11 VAL 66 -1.377 2.304 -2.241 541 HG12 VAL 66 HG12 VAL 66 -0.637 3.743 -1.551 542 HG13 VAL 66 HG13 VAL 66 -0.857 3.624 -3.314 543 HG21 VAL 66 HG21 VAL 66 -0.134 0.654 -3.342 544 HG22 VAL 66 HG22 VAL 66 0.577 1.731 -4.553 545 HG23 VAL 66 HG23 VAL 66 1.610 0.707 -3.544 546 H THR 67 H THR 67 1.006 5.905 -2.710 547 HA THR 67 HA THR 67 1.607 6.197 0.156 548 HB THR 67 HB THR 67 2.288 8.302 -1.913 549 HG1 THR 67 HG1 THR 67 4.364 8.074 -1.029 550 HG21 THR 67 HG21 THR 67 3.101 9.638 0.038 551 HG22 THR 67 HG22 THR 67 2.466 8.415 1.142 552 HG23 THR 67 HG23 THR 67 1.353 9.351 0.136 553 H PHE 68 H PHE 68 -0.347 6.380 1.048 554 HA PHE 68 HA PHE 68 -2.745 7.422 -0.314 555 HB2 PHE 68 HB2 PHE 68 -2.169 6.340 2.491 556 HB3 PHE 68 HB3 PHE 68 -3.748 6.857 1.950 557 HD1 PHE 68 HD1 PHE 68 -4.667 5.692 -0.251 558 HD2 PHE 68 HD2 PHE 68 -1.587 4.043 2.254 559 HE1 PHE 68 HE1 PHE 68 -5.052 3.460 -1.260 560 HE2 PHE 68 HE2 PHE 68 -1.887 1.842 1.171 561 HZ PHE 68 HZ PHE 68 -3.626 1.525 -0.574 562 HA PRO 69 HA PRO 69 -1.980 11.316 1.858 563 HB2 PRO 69 HB2 PRO 69 -4.326 12.537 1.997 564 HB3 PRO 69 HB3 PRO 69 -3.702 12.088 0.387 565 HG2 PRO 69 HG2 PRO 69 -5.647 10.494 2.103 566 HG3 PRO 69 HG3 PRO 69 -5.839 11.065 0.432 567 HD2 PRO 69 HD2 PRO 69 -4.856 8.540 1.101 568 HD3 PRO 69 HD3 PRO 69 -4.352 9.382 -0.387 569 H LYS 70 H LYS 70 -2.977 12.499 3.710 570 HA LYS 70 HA LYS 70 -3.124 10.692 6.083 571 HB2 LYS 70 HB2 LYS 70 -1.461 12.420 6.153 572 HB3 LYS 70 HB3 LYS 70 -2.632 13.684 5.772 573 HG2 LYS 70 HG2 LYS 70 -3.658 13.530 7.947 574 HG3 LYS 70 HG3 LYS 70 -2.807 12.039 8.335 575 HD2 LYS 70 HD2 LYS 70 -0.647 13.128 8.283 576 HD3 LYS 70 HD3 LYS 70 -1.367 14.656 7.792 577 HE2 LYS 70 HE2 LYS 70 -2.357 13.259 10.292 578 HE3 LYS 70 HE3 LYS 70 -0.813 14.136 10.342 579 HZ1 LYS 70 HZ1 LYS 70 -2.584 15.547 11.011 580 HZ2 LYS 70 HZ2 LYS 70 -3.428 15.340 9.643 581 HZ3 LYS 70 HZ3 LYS 70 -1.969 16.134 9.617 582 H GLY 71 H GLY 71 -5.246 9.901 5.568 583 HA2 GLY 71 HA2 GLY 71 -7.372 10.276 6.844 584 HA3 GLY 71 HA3 GLY 71 -7.478 11.845 6.041 585 H LEU 72 H LEU 72 -7.553 8.332 5.513 586 HA LEU 72 HA LEU 72 -9.403 8.780 3.274 587 HB2 LEU 72 HB2 LEU 72 -7.217 8.655 2.133 588 HB3 LEU 72 HB3 LEU 72 -6.848 7.143 2.963 589 HG LEU 72 HG LEU 72 -8.823 6.065 1.795 590 HD11 LEU 72 HD11 LEU 72 -9.756 7.269 -0.187 591 HD12 LEU 72 HD12 LEU 72 -8.920 8.743 0.347 592 HD13 LEU 72 HD13 LEU 72 -10.213 8.018 1.333 593 HD21 LEU 72 HD21 LEU 72 -6.747 7.346 -0.020 594 HD22 LEU 72 HD22 LEU 72 -7.746 5.925 -0.403 595 HD23 LEU 72 HD23 LEU 72 -6.575 5.835 0.916 596 H ARG 73 H ARG 73 -11.087 7.805 4.389 597 HA ARG 73 HA ARG 73 -10.949 4.968 5.151 598 HB2 ARG 73 HB2 ARG 73 -12.667 6.536 6.053 599 HB3 ARG 73 HB3 ARG 73 -13.335 6.746 4.447 600 HG2 ARG 73 HG2 ARG 73 -14.123 4.497 4.357 601 HG3 ARG 73 HG3 ARG 73 -13.157 3.999 5.762 602 HD2 ARG 73 HD2 ARG 73 -14.548 5.153 7.300 603 HD3 ARG 73 HD3 ARG 73 -15.219 6.190 6.047 604 HE ARG 73 HE ARG 73 -16.835 4.690 5.576 605 HH11 ARG 73 HH11 ARG 73 -14.443 2.941 7.689 606 HH12 ARG 73 HH12 ARG 73 -15.264 1.447 7.435 607 HH21 ARG 73 HH21 ARG 73 -18.076 2.850 5.797 608 HH22 ARG 73 HH22 ARG 73 -17.489 1.465 6.698 609 H CYS 74 H CYS 74 -10.930 3.288 3.635 610 HA CYS 74 HA CYS 74 -12.585 3.463 1.270 611 HB2 CYS 74 HB2 CYS 74 -10.859 2.738 -0.320 612 HB3 CYS 74 HB3 CYS 74 -10.657 4.417 0.222 613 HG CYS 74 HG CYS 74 -8.354 3.014 -0.210 614 H ARG 75 H ARG 75 -12.435 1.142 0.196 615 HA ARG 75 HA ARG 75 -12.300 -0.907 2.300 616 HB2 ARG 75 HB2 ARG 75 -13.518 -0.687 -0.396 617 HB3 ARG 75 HB3 ARG 75 -12.872 -2.273 0.021 618 HG2 ARG 75 HG2 ARG 75 -15.222 -2.100 0.636 619 HG3 ARG 75 HG3 ARG 75 -14.177 -2.413 2.014 620 HD2 ARG 75 HD2 ARG 75 -15.869 -0.772 2.573 621 HD3 ARG 75 HD3 ARG 75 -14.256 -0.082 2.684 622 HE ARG 75 HE ARG 75 -15.145 0.606 0.149 623 HH11 ARG 75 HH11 ARG 75 -16.304 1.181 3.521 624 HH12 ARG 75 HH12 ARG 75 -16.769 2.822 3.132 625 HH21 ARG 75 HH21 ARG 75 -16.291 2.593 -0.277 626 HH22 ARG 75 HH22 ARG 75 -16.693 3.617 1.090 627 H TRP 76 H TRP 76 -11.156 -2.925 1.947 628 HA TRP 76 HA TRP 76 -8.737 -2.731 0.322 629 HB2 TRP 76 HB2 TRP 76 -8.798 -2.450 3.238 630 HB3 TRP 76 HB3 TRP 76 -7.907 -3.879 2.742 631 HD1 TRP 76 HD1 TRP 76 -7.951 -0.121 1.812 632 HE1 TRP 76 HE1 TRP 76 -5.575 0.569 1.110 633 HE3 TRP 76 HE3 TRP 76 -5.574 -4.608 2.433 634 HZ2 TRP 76 HZ2 TRP 76 -3.027 -0.718 0.669 635 HZ3 TRP 76 HZ3 TRP 76 -3.168 -4.839 1.911 636 HH2 TRP 76 HH2 TRP 76 -1.893 -2.902 0.961 637 H LYS 77 H LYS 77 -8.791 -4.522 -0.883 638 HA LYS 77 HA LYS 77 -10.063 -7.005 0.146 639 HB2 LYS 77 HB2 LYS 77 -11.337 -5.668 -1.590 640 HB3 LYS 77 HB3 LYS 77 -9.952 -5.831 -2.658 641 HG2 LYS 77 HG2 LYS 77 -11.199 -7.497 -3.452 642 HG3 LYS 77 HG3 LYS 77 -10.239 -8.398 -2.273 643 HD2 LYS 77 HD2 LYS 77 -12.035 -9.084 -1.184 644 HD3 LYS 77 HD3 LYS 77 -12.647 -7.422 -1.002 645 HE2 LYS 77 HE2 LYS 77 -12.965 -8.272 -3.744 646 HE3 LYS 77 HE3 LYS 77 -13.538 -9.564 -2.709 647 HZ1 LYS 77 HZ1 LYS 77 -14.430 -6.735 -2.442 648 HZ2 LYS 77 HZ2 LYS 77 -14.997 -8.014 -1.606 649 HZ3 LYS 77 HZ3 LYS 77 -15.258 -7.942 -3.233 650 H VAL 78 H VAL 78 -8.397 -8.418 0.567 651 HA VAL 78 HA VAL 78 -5.783 -8.126 -0.732 652 HB VAL 78 HB VAL 78 -6.591 -10.097 1.445 653 HG11 VAL 78 HG11 VAL 78 -4.163 -10.094 1.922 654 HG12 VAL 78 HG12 VAL 78 -4.575 -10.682 0.316 655 HG13 VAL 78 HG13 VAL 78 -3.901 -9.042 0.505 656 HG21 VAL 78 HG21 VAL 78 -5.389 -7.293 1.787 657 HG22 VAL 78 HG22 VAL 78 -6.987 -7.826 2.370 658 HG23 VAL 78 HG23 VAL 78 -5.534 -8.521 3.069 659 H LEU 79 H LEU 79 -5.776 -9.068 -2.668 660 HA LEU 79 HA LEU 79 -7.665 -11.269 -3.260 661 HB2 LEU 79 HB2 LEU 79 -5.663 -10.024 -5.151 662 HB3 LEU 79 HB3 LEU 79 -7.031 -11.039 -5.546 663 HG LEU 79 HG LEU 79 -7.091 -8.165 -4.486 664 HD11 LEU 79 HD11 LEU 79 -6.734 -8.501 -7.000 665 HD12 LEU 79 HD12 LEU 79 -8.160 -7.573 -6.553 666 HD13 LEU 79 HD13 LEU 79 -8.316 -9.267 -7.051 667 HD21 LEU 79 HD21 LEU 79 -8.974 -9.511 -3.517 668 HD22 LEU 79 HD22 LEU 79 -9.442 -10.050 -5.126 669 HD23 LEU 79 HD23 LEU 79 -9.563 -8.327 -4.695 670 H GLU 80 H GLU 80 -4.270 -10.626 -2.451 671 HA GLU 80 HA GLU 80 -3.850 -13.440 -1.953 672 HB2 GLU 80 HB2 GLU 80 -1.999 -11.893 -3.861 673 HB3 GLU 80 HB3 GLU 80 -1.594 -13.428 -3.143 674 HG2 GLU 80 HG2 GLU 80 -3.774 -14.298 -4.273 675 HG3 GLU 80 HG3 GLU 80 -3.617 -12.859 -5.289 676 HA PRO 81 HA PRO 81 -2.194 -11.734 1.538 677 HB2 PRO 81 HB2 PRO 81 -0.074 -13.249 2.406 678 HB3 PRO 81 HB3 PRO 81 -1.767 -13.833 2.353 679 HG2 PRO 81 HG2 PRO 81 0.410 -14.271 0.287 680 HG3 PRO 81 HG3 PRO 81 -0.690 -15.484 1.013 681 HD2 PRO 81 HD2 PRO 81 -1.186 -14.382 -1.387 682 HD3 PRO 81 HD3 PRO 81 -2.519 -14.715 -0.261 683 H VAL 82 H VAL 82 -1.489 -9.693 1.318 684 HA VAL 82 HA VAL 82 0.906 -9.186 -0.233 685 HB VAL 82 HB VAL 82 -1.278 -8.125 -0.683 686 HG11 VAL 82 HG11 VAL 82 -1.811 -7.630 1.755 687 HG12 VAL 82 HG12 VAL 82 -0.641 -6.277 1.620 688 HG13 VAL 82 HG13 VAL 82 -2.090 -6.310 0.614 689 HG21 VAL 82 HG21 VAL 82 0.760 -7.237 -1.628 690 HG22 VAL 82 HG22 VAL 82 -0.329 -5.911 -1.209 691 HG23 VAL 82 HG23 VAL 82 1.074 -6.263 -0.176 692 H ARG 83 H ARG 83 2.794 -9.090 0.595 693 HA ARG 83 HA ARG 83 3.106 -8.644 3.505 694 HB2 ARG 83 HB2 ARG 83 4.018 -10.650 2.105 695 HB3 ARG 83 HB3 ARG 83 5.312 -9.536 1.641 696 HG2 ARG 83 HG2 ARG 83 5.802 -9.168 4.083 697 HG3 ARG 83 HG3 ARG 83 4.525 -10.335 4.473 698 HD2 ARG 83 HD2 ARG 83 5.727 -12.041 3.115 699 HD3 ARG 83 HD3 ARG 83 7.054 -10.891 2.885 700 HE ARG 83 HE ARG 83 6.321 -11.264 5.664 701 HH11 ARG 83 HH11 ARG 83 8.298 -12.690 3.051 702 HH12 ARG 83 HH12 ARG 83 8.880 -13.974 4.047 703 HH21 ARG 83 HH21 ARG 83 7.288 -12.780 7.004 704 HH22 ARG 83 HH22 ARG 83 8.452 -13.908 6.416 705 H LYS 84 H LYS 84 2.528 -6.257 2.354 706 HA LYS 84 HA LYS 84 4.851 -4.911 1.296 707 HB2 LYS 84 HB2 LYS 84 3.667 -2.798 1.543 708 HB3 LYS 84 HB3 LYS 84 2.835 -4.024 0.621 709 HG2 LYS 84 HG2 LYS 84 1.613 -2.321 2.218 710 HG3 LYS 84 HG3 LYS 84 0.976 -3.898 1.825 711 HD2 LYS 84 HD2 LYS 84 1.453 -4.787 3.859 712 HD3 LYS 84 HD3 LYS 84 2.605 -3.615 4.342 713 HE2 LYS 84 HE2 LYS 84 0.754 -3.161 5.673 714 HE3 LYS 84 HE3 LYS 84 0.958 -1.837 4.537 715 HZ1 LYS 84 HZ1 LYS 84 -1.268 -2.474 4.878 716 HZ2 LYS 84 HZ2 LYS 84 -1.050 -3.989 4.260 717 HZ3 LYS 84 HZ3 LYS 84 -0.894 -2.581 3.318 718 H HIS 85 H HIS 85 6.190 -3.422 2.124 719 HA HIS 85 HA HIS 85 6.662 -3.340 5.067 720 HB2 HIS 85 HB2 HIS 85 8.108 -2.450 2.557 721 HB3 HIS 85 HB3 HIS 85 8.325 -1.495 4.002 722 HD1 HIS 85 HD1 HIS 85 9.956 -4.375 2.412 723 HD2 HIS 85 HD2 HIS 85 9.021 -3.086 6.320 724 HE1 HIS 85 HE1 HIS 85 11.264 -5.854 4.032 725 H TYR 86 H TYR 86 6.176 -1.292 6.199 726 HA TYR 86 HA TYR 86 4.961 0.835 4.578 727 HB2 TYR 86 HB2 TYR 86 3.052 1.124 5.966 728 HB3 TYR 86 HB3 TYR 86 3.045 -0.540 5.407 729 HD1 TYR 86 HD1 TYR 86 4.070 -2.332 7.091 730 HD2 TYR 86 HD2 TYR 86 2.785 1.631 8.257 731 HE1 TYR 86 HE1 TYR 86 3.934 -3.060 9.438 732 HE2 TYR 86 HE2 TYR 86 2.630 0.908 10.591 733 HH TYR 86 HH TYR 86 2.954 -0.893 12.112 734 H ASN 87 H ASN 87 5.041 2.963 5.675 735 HA ASN 87 HA ASN 87 6.545 3.054 8.231 736 HB2 ASN 87 HB2 ASN 87 8.122 3.345 6.229 737 HB3 ASN 87 HB3 ASN 87 7.254 4.824 5.855 738 HD21 ASN 87 HD21 ASN 87 9.534 5.779 6.238 739 HD22 ASN 87 HD22 ASN 87 9.964 6.108 7.905 740 H LEU 88 H LEU 88 5.748 4.663 9.554 741 HA LEU 88 HA LEU 88 3.528 6.379 8.538 742 HB2 LEU 88 HB2 LEU 88 4.447 5.680 11.359 743 HB3 LEU 88 HB3 LEU 88 3.157 6.812 10.979 744 HG LEU 88 HG LEU 88 3.088 3.832 10.276 745 HD11 LEU 88 HD11 LEU 88 1.589 5.370 12.450 746 HD12 LEU 88 HD12 LEU 88 3.006 4.370 12.751 747 HD13 LEU 88 HD13 LEU 88 1.510 3.628 12.127 748 HD21 LEU 88 HD21 LEU 88 0.694 4.233 9.836 749 HD22 LEU 88 HD22 LEU 88 1.697 5.207 8.754 750 HD23 LEU 88 HD23 LEU 88 0.909 5.974 10.144 751 H PHE 89 H PHE 89 3.886 8.576 8.291 752 HA PHE 89 HA PHE 89 6.002 9.946 9.709 753 HB2 PHE 89 HB2 PHE 89 7.373 10.526 7.852 754 HB3 PHE 89 HB3 PHE 89 7.265 8.778 7.869 755 HD1 PHE 89 HD1 PHE 89 5.311 7.757 6.313 756 HD2 PHE 89 HD2 PHE 89 7.007 11.696 5.834 757 HE1 PHE 89 HE1 PHE 89 4.329 7.926 4.074 758 HE2 PHE 89 HE2 PHE 89 6.086 11.814 3.541 759 HZ PHE 89 HZ PHE 89 4.708 9.932 2.662 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -0.877 15.049 0.846 2 HA MET 1 HA MET 1 -1.707 14.940 -1.446 3 HB2 MET 1 HB2 MET 1 -0.039 13.113 -2.298 4 HB3 MET 1 HB3 MET 1 0.542 14.608 -1.618 5 HG2 MET 1 HG2 MET 1 0.287 12.121 0.082 6 HG3 MET 1 HG3 MET 1 1.721 12.492 -0.876 7 HE1 MET 1 HE1 MET 1 3.204 12.303 1.282 8 HE2 MET 1 HE2 MET 1 2.790 13.103 2.820 9 HE3 MET 1 HE3 MET 1 1.702 11.875 2.126 10 H GLU 2 H GLU 2 -3.087 13.965 -2.850 11 HA GLU 2 HA GLU 2 -4.945 11.986 -1.984 12 HB2 GLU 2 HB2 GLU 2 -4.053 13.057 -4.694 13 HB3 GLU 2 HB3 GLU 2 -5.323 11.853 -4.572 14 HG2 GLU 2 HG2 GLU 2 -5.467 14.504 -3.064 15 HG3 GLU 2 HG3 GLU 2 -5.977 14.330 -4.734 16 H VAL 3 H VAL 3 -5.179 9.760 -2.642 17 HA VAL 3 HA VAL 3 -2.872 8.291 -2.283 18 HB VAL 3 HB VAL 3 -5.014 7.377 -1.747 19 HG11 VAL 3 HG11 VAL 3 -6.602 6.531 -3.215 20 HG12 VAL 3 HG12 VAL 3 -6.367 8.238 -3.629 21 HG13 VAL 3 HG13 VAL 3 -5.643 6.973 -4.655 22 HG21 VAL 3 HG21 VAL 3 -4.709 5.098 -2.535 23 HG22 VAL 3 HG22 VAL 3 -3.669 5.645 -3.858 24 HG23 VAL 3 HG23 VAL 3 -3.126 5.821 -2.175 25 H LYS 4 H LYS 4 -1.150 8.068 -3.414 26 HA LYS 4 HA LYS 4 -1.222 8.305 -6.383 27 HB2 LYS 4 HB2 LYS 4 0.337 9.695 -4.344 28 HB3 LYS 4 HB3 LYS 4 1.432 8.693 -5.237 29 HG2 LYS 4 HG2 LYS 4 1.300 10.824 -6.389 30 HG3 LYS 4 HG3 LYS 4 0.369 9.688 -7.389 31 HD2 LYS 4 HD2 LYS 4 -1.719 10.490 -6.094 32 HD3 LYS 4 HD3 LYS 4 -0.678 11.716 -5.367 33 HE2 LYS 4 HE2 LYS 4 -0.192 12.580 -7.677 34 HE3 LYS 4 HE3 LYS 4 -1.305 11.356 -8.331 35 HZ1 LYS 4 HZ1 LYS 4 -2.401 13.507 -7.973 36 HZ2 LYS 4 HZ2 LYS 4 -2.009 13.458 -6.395 37 HZ3 LYS 4 HZ3 LYS 4 -3.074 12.351 -7.024 38 H ILE 5 H ILE 5 0.105 6.865 -7.581 39 HA ILE 5 HA ILE 5 1.336 4.632 -6.183 40 HB ILE 5 HB ILE 5 -0.638 4.313 -8.479 41 HG12 ILE 5 HG12 ILE 5 -1.149 3.233 -5.688 42 HG13 ILE 5 HG13 ILE 5 -1.769 4.797 -6.210 43 HG21 ILE 5 HG21 ILE 5 0.825 2.188 -6.832 44 HG22 ILE 5 HG22 ILE 5 -0.335 1.880 -8.138 45 HG23 ILE 5 HG23 ILE 5 1.201 2.650 -8.498 46 HD11 ILE 5 HD11 ILE 5 -2.505 2.134 -7.426 47 HD12 ILE 5 HD12 ILE 5 -3.506 3.293 -6.521 48 HD13 ILE 5 HD13 ILE 5 -2.920 3.719 -8.133 49 H GLU 6 H GLU 6 3.197 4.061 -7.377 50 HA GLU 6 HA GLU 6 3.360 4.603 -10.157 51 HB2 GLU 6 HB2 GLU 6 5.490 5.868 -10.081 52 HB3 GLU 6 HB3 GLU 6 4.017 6.770 -9.723 53 HG2 GLU 6 HG2 GLU 6 4.593 6.620 -7.292 54 HG3 GLU 6 HG3 GLU 6 6.142 5.876 -7.743 55 H LYS 7 H LYS 7 5.940 4.070 -10.748 56 HA LYS 7 HA LYS 7 6.402 1.519 -9.336 57 HB2 LYS 7 HB2 LYS 7 7.114 1.543 -12.176 58 HB3 LYS 7 HB3 LYS 7 6.544 0.268 -11.085 59 HG2 LYS 7 HG2 LYS 7 4.774 2.436 -12.234 60 HG3 LYS 7 HG3 LYS 7 5.048 0.830 -12.881 61 HD2 LYS 7 HD2 LYS 7 3.684 -0.210 -11.475 62 HD3 LYS 7 HD3 LYS 7 4.247 0.721 -10.087 63 HE2 LYS 7 HE2 LYS 7 2.665 2.431 -10.426 64 HE3 LYS 7 HE3 LYS 7 2.665 2.214 -12.181 65 HZ1 LYS 7 HZ1 LYS 7 1.397 0.154 -11.811 66 HZ2 LYS 7 HZ2 LYS 7 0.583 1.505 -11.355 67 HZ3 LYS 7 HZ3 LYS 7 1.274 0.517 -10.222 68 HA PRO 8 HA PRO 8 9.946 4.476 -9.201 69 HB2 PRO 8 HB2 PRO 8 10.915 3.996 -6.685 70 HB3 PRO 8 HB3 PRO 8 9.428 4.946 -6.994 71 HG2 PRO 8 HG2 PRO 8 9.603 1.991 -6.278 72 HG3 PRO 8 HG3 PRO 8 8.640 3.276 -5.524 73 HD2 PRO 8 HD2 PRO 8 7.639 1.602 -7.452 74 HD3 PRO 8 HD3 PRO 8 7.104 3.289 -7.379 75 H THR 9 H THR 9 12.338 4.212 -8.814 76 HA THR 9 HA THR 9 13.311 1.777 -9.978 77 HB THR 9 HB THR 9 14.432 3.830 -10.443 78 HG1 THR 9 HG1 THR 9 16.079 2.666 -10.516 79 HG21 THR 9 HG21 THR 9 14.782 4.058 -7.474 80 HG22 THR 9 HG22 THR 9 14.026 5.208 -8.574 81 HG23 THR 9 HG23 THR 9 15.784 4.967 -8.626 82 HA PRO 10 HA PRO 10 13.877 -0.524 -6.102 83 HB2 PRO 10 HB2 PRO 10 15.795 -2.306 -6.827 84 HB3 PRO 10 HB3 PRO 10 14.101 -2.424 -7.371 85 HG2 PRO 10 HG2 PRO 10 16.451 -1.177 -8.848 86 HG3 PRO 10 HG3 PRO 10 15.282 -2.386 -9.470 87 HD2 PRO 10 HD2 PRO 10 14.959 0.247 -9.970 88 HD3 PRO 10 HD3 PRO 10 13.543 -0.778 -9.594 89 H GLU 11 H GLU 11 16.121 1.632 -7.548 90 HA GLU 11 HA GLU 11 18.242 1.188 -5.562 91 HB2 GLU 11 HB2 GLU 11 17.915 3.321 -7.744 92 HB3 GLU 11 HB3 GLU 11 19.371 3.000 -6.794 93 HG2 GLU 11 HG2 GLU 11 19.014 0.508 -7.692 94 HG3 GLU 11 HG3 GLU 11 18.068 1.302 -8.937 95 H LYS 12 H LYS 12 16.025 3.918 -6.370 96 HA LYS 12 HA LYS 12 16.486 5.566 -4.163 97 HB2 LYS 12 HB2 LYS 12 14.898 5.998 -6.144 98 HB3 LYS 12 HB3 LYS 12 13.724 4.953 -5.343 99 HG2 LYS 12 HG2 LYS 12 13.071 7.135 -4.744 100 HG3 LYS 12 HG3 LYS 12 13.932 6.561 -3.318 101 HD2 LYS 12 HD2 LYS 12 15.934 7.688 -4.939 102 HD3 LYS 12 HD3 LYS 12 14.572 8.759 -5.187 103 HE2 LYS 12 HE2 LYS 12 14.509 9.352 -2.866 104 HE3 LYS 12 HE3 LYS 12 15.477 7.935 -2.400 105 HZ1 LYS 12 HZ1 LYS 12 17.377 8.864 -3.432 106 HZ2 LYS 12 HZ2 LYS 12 16.758 10.022 -2.430 107 HZ3 LYS 12 HZ3 LYS 12 16.545 10.120 -4.067 108 H LEU 13 H LEU 13 14.334 2.765 -4.403 109 HA LEU 13 HA LEU 13 13.182 2.784 -1.850 110 HB2 LEU 13 HB2 LEU 13 13.933 0.593 -3.801 111 HB3 LEU 13 HB3 LEU 13 13.188 0.225 -2.257 112 HG LEU 13 HG LEU 13 11.937 2.202 -4.231 113 HD11 LEU 13 HD11 LEU 13 10.409 0.243 -4.831 114 HD12 LEU 13 HD12 LEU 13 11.639 -0.809 -4.091 115 HD13 LEU 13 HD13 LEU 13 12.027 0.206 -5.494 116 HD21 LEU 13 HD21 LEU 13 9.836 1.570 -3.033 117 HD22 LEU 13 HD22 LEU 13 11.006 2.377 -1.988 118 HD23 LEU 13 HD23 LEU 13 10.796 0.606 -1.900 119 H LYS 14 H LYS 14 16.498 1.699 -2.770 120 HA LYS 14 HA LYS 14 17.037 0.290 -0.333 121 HB2 LYS 14 HB2 LYS 14 19.117 1.662 -2.033 122 HB3 LYS 14 HB3 LYS 14 19.276 0.327 -0.880 123 HG2 LYS 14 HG2 LYS 14 17.559 -0.914 -2.426 124 HG3 LYS 14 HG3 LYS 14 18.035 0.333 -3.602 125 HD2 LYS 14 HD2 LYS 14 20.417 -0.373 -3.370 126 HD3 LYS 14 HD3 LYS 14 19.895 -1.492 -2.140 127 HE2 LYS 14 HE2 LYS 14 20.245 -2.707 -4.210 128 HE3 LYS 14 HE3 LYS 14 18.534 -2.750 -3.752 129 HZ1 LYS 14 HZ1 LYS 14 18.856 -2.241 -6.098 130 HZ2 LYS 14 HZ2 LYS 14 19.738 -0.909 -5.724 131 HZ3 LYS 14 HZ3 LYS 14 18.124 -0.983 -5.319 132 H GLU 15 H GLU 15 17.598 3.567 -1.507 133 HA GLU 15 HA GLU 15 19.137 4.613 0.648 134 HB2 GLU 15 HB2 GLU 15 17.120 6.302 -0.921 135 HB3 GLU 15 HB3 GLU 15 18.601 6.801 -0.118 136 HG2 GLU 15 HG2 GLU 15 19.885 5.574 -1.833 137 HG3 GLU 15 HG3 GLU 15 18.361 5.130 -2.627 138 H LEU 16 H LEU 16 15.761 4.833 -0.079 139 HA LEU 16 HA LEU 16 14.754 6.271 2.116 140 HB2 LEU 16 HB2 LEU 16 13.511 4.139 0.357 141 HB3 LEU 16 HB3 LEU 16 12.579 5.109 1.492 142 HG LEU 16 HG LEU 16 14.187 6.243 -0.838 143 HD11 LEU 16 HD11 LEU 16 12.314 4.869 -1.630 144 HD12 LEU 16 HD12 LEU 16 11.973 6.588 -1.888 145 HD13 LEU 16 HD13 LEU 16 11.208 5.720 -0.531 146 HD21 LEU 16 HD21 LEU 16 12.198 7.585 1.002 147 HD22 LEU 16 HD22 LEU 16 12.910 8.298 -0.467 148 HD23 LEU 16 HD23 LEU 16 13.948 7.909 0.905 149 H SER 17 H SER 17 16.118 3.149 2.195 150 HA SER 17 HA SER 17 16.414 1.604 3.763 151 HB2 SER 17 HB2 SER 17 15.579 3.775 5.709 152 HB3 SER 17 HB3 SER 17 16.490 2.318 6.054 153 HG SER 17 HG SER 17 17.389 4.180 4.087 154 H VAL 18 H VAL 18 13.948 1.649 2.411 155 HA VAL 18 HA VAL 18 11.648 1.078 3.863 156 HB VAL 18 HB VAL 18 12.673 -0.082 1.248 157 HG11 VAL 18 HG11 VAL 18 10.320 -0.467 0.670 158 HG12 VAL 18 HG12 VAL 18 10.757 -1.389 2.112 159 HG13 VAL 18 HG13 VAL 18 9.818 0.114 2.276 160 HG21 VAL 18 HG21 VAL 18 12.597 2.356 1.173 161 HG22 VAL 18 HG22 VAL 18 11.280 1.696 0.207 162 HG23 VAL 18 HG23 VAL 18 10.950 2.355 1.820 163 H GLU 19 H GLU 19 14.448 -1.058 3.118 164 HA GLU 19 HA GLU 19 13.309 -3.459 4.058 165 HB2 GLU 19 HB2 GLU 19 15.638 -4.192 4.384 166 HB3 GLU 19 HB3 GLU 19 15.426 -3.350 2.847 167 HG2 GLU 19 HG2 GLU 19 16.517 -1.374 3.661 168 HG3 GLU 19 HG3 GLU 19 16.438 -1.891 5.324 169 H LYS 20 H LYS 20 14.167 -0.657 5.958 170 HA LYS 20 HA LYS 20 14.437 -2.222 8.445 171 HB2 LYS 20 HB2 LYS 20 14.482 0.803 8.112 172 HB3 LYS 20 HB3 LYS 20 15.061 -0.139 9.482 173 HG2 LYS 20 HG2 LYS 20 16.777 -1.162 7.820 174 HG3 LYS 20 HG3 LYS 20 16.262 0.095 6.702 175 HD2 LYS 20 HD2 LYS 20 17.716 1.501 7.610 176 HD3 LYS 20 HD3 LYS 20 16.825 1.487 9.124 177 HE2 LYS 20 HE2 LYS 20 19.023 -0.450 8.269 178 HE3 LYS 20 HE3 LYS 20 19.256 0.952 9.315 179 HZ1 LYS 20 HZ1 LYS 20 19.019 -1.110 10.571 180 HZ2 LYS 20 HZ2 LYS 20 17.521 -1.364 9.969 181 HZ3 LYS 20 HZ3 LYS 20 17.816 -0.060 10.952 182 H TRP 21 H TRP 21 12.044 -0.420 6.650 183 HA TRP 21 HA TRP 21 10.509 0.658 8.749 184 HB2 TRP 21 HB2 TRP 21 9.747 -0.242 5.950 185 HB3 TRP 21 HB3 TRP 21 8.745 0.749 6.993 186 HD1 TRP 21 HD1 TRP 21 12.080 2.141 7.432 187 HE1 TRP 21 HE1 TRP 21 12.486 4.095 5.904 188 HE3 TRP 21 HE3 TRP 21 8.173 1.438 4.191 189 HZ2 TRP 21 HZ2 TRP 21 11.194 5.334 3.572 190 HZ3 TRP 21 HZ3 TRP 21 7.747 3.048 2.371 191 HH2 TRP 21 HH2 TRP 21 9.228 5.037 2.072 192 HA PRO 22 HA PRO 22 8.551 -2.942 10.395 193 HB2 PRO 22 HB2 PRO 22 5.934 -2.242 10.936 194 HB3 PRO 22 HB3 PRO 22 7.366 -1.680 11.840 195 HG2 PRO 22 HG2 PRO 22 5.894 -0.260 9.585 196 HG3 PRO 22 HG3 PRO 22 6.378 0.426 11.161 197 HD2 PRO 22 HD2 PRO 22 7.856 0.804 8.929 198 HD3 PRO 22 HD3 PRO 22 8.647 0.533 10.508 199 H ILE 23 H ILE 23 8.117 -4.729 9.355 200 HA ILE 23 HA ILE 23 6.735 -4.756 6.769 201 HB ILE 23 HB ILE 23 7.768 -6.973 8.584 202 HG12 ILE 23 HG12 ILE 23 8.398 -5.980 5.771 203 HG13 ILE 23 HG13 ILE 23 9.377 -5.715 7.191 204 HG21 ILE 23 HG21 ILE 23 7.049 -8.675 6.908 205 HG22 ILE 23 HG22 ILE 23 5.683 -7.906 7.654 206 HG23 ILE 23 HG23 ILE 23 6.163 -7.422 6.012 207 HD11 ILE 23 HD11 ILE 23 9.766 -8.196 7.336 208 HD12 ILE 23 HD12 ILE 23 8.915 -8.373 5.779 209 HD13 ILE 23 HD13 ILE 23 10.393 -7.420 5.857 210 H TRP 24 H TRP 24 4.625 -5.411 6.301 211 HA TRP 24 HA TRP 24 3.017 -6.278 8.565 212 HB2 TRP 24 HB2 TRP 24 2.533 -3.903 8.374 213 HB3 TRP 24 HB3 TRP 24 2.179 -4.083 6.657 214 HD1 TRP 24 HD1 TRP 24 0.699 -4.785 10.123 215 HE1 TRP 24 HE1 TRP 24 -1.774 -5.412 9.877 216 HE3 TRP 24 HE3 TRP 24 0.524 -5.444 5.117 217 HZ2 TRP 24 HZ2 TRP 24 -3.728 -5.597 7.692 218 HZ3 TRP 24 HZ3 TRP 24 -1.672 -5.777 3.933 219 HH2 TRP 24 HH2 TRP 24 -3.730 -5.778 5.176 220 H GLU 25 H GLU 25 1.675 -7.869 8.046 221 HA GLU 25 HA GLU 25 1.466 -8.910 5.302 222 HB2 GLU 25 HB2 GLU 25 1.759 -11.213 6.388 223 HB3 GLU 25 HB3 GLU 25 3.194 -10.260 6.047 224 HG2 GLU 25 HG2 GLU 25 3.795 -10.010 8.159 225 HG3 GLU 25 HG3 GLU 25 2.161 -9.766 8.734 226 H LYS 26 H LYS 26 -0.381 -10.509 5.168 227 HA LYS 26 HA LYS 26 -2.246 -10.466 7.386 228 HB2 LYS 26 HB2 LYS 26 -2.420 -8.234 6.090 229 HB3 LYS 26 HB3 LYS 26 -2.977 -9.193 4.731 230 HG2 LYS 26 HG2 LYS 26 -4.713 -7.993 5.964 231 HG3 LYS 26 HG3 LYS 26 -5.036 -9.738 5.910 232 HD2 LYS 26 HD2 LYS 26 -4.214 -9.961 8.179 233 HD3 LYS 26 HD3 LYS 26 -3.802 -8.223 8.223 234 HE2 LYS 26 HE2 LYS 26 -6.036 -7.595 8.494 235 HE3 LYS 26 HE3 LYS 26 -6.631 -9.135 7.867 236 HZ1 LYS 26 HZ1 LYS 26 -5.707 -10.198 9.892 237 HZ2 LYS 26 HZ2 LYS 26 -6.927 -9.130 10.198 238 HZ3 LYS 26 HZ3 LYS 26 -5.384 -8.722 10.518 239 H GLU 27 H GLU 27 -4.213 -11.706 6.841 240 HA GLU 27 HA GLU 27 -3.754 -13.999 5.216 241 HB2 GLU 27 HB2 GLU 27 -5.641 -13.067 7.093 242 HB3 GLU 27 HB3 GLU 27 -6.550 -13.664 5.750 243 HG2 GLU 27 HG2 GLU 27 -6.077 -15.271 7.664 244 HG3 GLU 27 HG3 GLU 27 -5.736 -15.851 6.048 245 H VAL 28 H VAL 28 -5.555 -14.584 3.793 246 HA VAL 28 HA VAL 28 -5.694 -12.708 1.535 247 HB VAL 28 HB VAL 28 -5.053 -15.074 1.249 248 HG11 VAL 28 HG11 VAL 28 -6.519 -16.157 2.910 249 HG12 VAL 28 HG12 VAL 28 -7.947 -15.733 1.941 250 HG13 VAL 28 HG13 VAL 28 -6.738 -16.871 1.311 251 HG21 VAL 28 HG21 VAL 28 -7.602 -14.475 -0.272 252 HG22 VAL 28 HG22 VAL 28 -6.015 -13.789 -0.652 253 HG23 VAL 28 HG23 VAL 28 -6.284 -15.538 -0.773 254 H SER 29 H SER 29 -7.569 -13.043 4.226 255 HA SER 29 HA SER 29 -10.170 -12.704 2.894 256 HB2 SER 29 HB2 SER 29 -9.882 -13.545 5.340 257 HB3 SER 29 HB3 SER 29 -9.645 -11.809 5.679 258 HG SER 29 HG SER 29 -11.610 -11.301 4.964 259 H GLU 30 H GLU 30 -11.271 -11.016 2.985 260 HA GLU 30 HA GLU 30 -10.060 -8.408 2.416 261 HB2 GLU 30 HB2 GLU 30 -13.020 -9.182 2.334 262 HB3 GLU 30 HB3 GLU 30 -12.207 -7.886 1.485 263 HG2 GLU 30 HG2 GLU 30 -12.353 -9.288 -0.251 264 HG3 GLU 30 HG3 GLU 30 -10.847 -9.943 0.387 265 H PHE 31 H PHE 31 -11.197 -6.477 3.214 266 HA PHE 31 HA PHE 31 -12.922 -6.394 5.457 267 HB2 PHE 31 HB2 PHE 31 -11.207 -5.217 6.975 268 HB3 PHE 31 HB3 PHE 31 -11.180 -6.949 6.876 269 HD1 PHE 31 HD1 PHE 31 -9.468 -3.916 5.460 270 HD2 PHE 31 HD2 PHE 31 -9.213 -8.126 6.368 271 HE1 PHE 31 HE1 PHE 31 -7.043 -3.839 5.038 272 HE2 PHE 31 HE2 PHE 31 -6.767 -8.033 6.104 273 HZ PHE 31 HZ PHE 31 -5.695 -5.900 5.360 274 H ASP 32 H ASP 32 -12.195 -3.685 6.239 275 HA ASP 32 HA ASP 32 -11.673 -2.211 3.773 276 HB2 ASP 32 HB2 ASP 32 -13.193 -0.575 4.167 277 HB3 ASP 32 HB3 ASP 32 -14.146 -1.985 4.521 278 H TRP 33 H TRP 33 -10.598 -0.080 4.501 279 HA TRP 33 HA TRP 33 -9.082 -0.437 7.056 280 HB2 TRP 33 HB2 TRP 33 -7.959 -1.451 5.064 281 HB3 TRP 33 HB3 TRP 33 -7.879 0.118 4.321 282 HD1 TRP 33 HD1 TRP 33 -5.997 1.768 5.223 283 HE1 TRP 33 HE1 TRP 33 -3.934 1.467 6.673 284 HE3 TRP 33 HE3 TRP 33 -7.165 -2.752 7.272 285 HZ2 TRP 33 HZ2 TRP 33 -2.846 -0.576 8.459 286 HZ3 TRP 33 HZ3 TRP 33 -5.621 -3.838 8.846 287 HH2 TRP 33 HH2 TRP 33 -3.451 -2.773 9.454 288 H TYR 34 H TYR 34 -7.717 1.666 7.444 289 HA TYR 34 HA TYR 34 -8.985 4.114 6.443 290 HB2 TYR 34 HB2 TYR 34 -9.973 3.323 8.765 291 HB3 TYR 34 HB3 TYR 34 -8.420 3.833 9.411 292 HD1 TYR 34 HD1 TYR 34 -7.733 6.324 9.131 293 HD2 TYR 34 HD2 TYR 34 -11.690 4.860 8.255 294 HE1 TYR 34 HE1 TYR 34 -8.504 8.648 8.746 295 HE2 TYR 34 HE2 TYR 34 -12.486 7.190 7.986 296 HH TYR 34 HH TYR 34 -10.468 10.001 8.446 297 H TYR 35 H TYR 35 -7.478 5.914 6.623 298 HA TYR 35 HA TYR 35 -4.761 5.332 7.652 299 HB2 TYR 35 HB2 TYR 35 -5.283 6.815 5.032 300 HB3 TYR 35 HB3 TYR 35 -3.730 6.455 5.751 301 HD1 TYR 35 HD1 TYR 35 -2.825 4.141 5.669 302 HD2 TYR 35 HD2 TYR 35 -6.506 5.189 3.715 303 HE1 TYR 35 HE1 TYR 35 -2.676 2.072 4.318 304 HE2 TYR 35 HE2 TYR 35 -6.370 3.122 2.336 305 HH TYR 35 HH TYR 35 -3.741 0.744 2.824 306 H ASP 36 H ASP 36 -4.551 6.907 9.278 307 HA ASP 36 HA ASP 36 -5.406 9.663 8.528 308 HB2 ASP 36 HB2 ASP 36 -6.862 8.686 10.391 309 HB3 ASP 36 HB3 ASP 36 -5.400 8.816 11.392 310 H THR 37 H THR 37 -2.850 8.198 8.178 311 HA THR 37 HA THR 37 -1.604 10.651 8.391 312 HB THR 37 HB THR 37 0.635 9.219 9.289 313 HG1 THR 37 HG1 THR 37 -1.554 8.860 11.046 314 HG21 THR 37 HG21 THR 37 -1.194 11.351 10.444 315 HG22 THR 37 HG22 THR 37 0.368 11.544 9.632 316 HG23 THR 37 HG23 THR 37 0.301 10.862 11.267 317 H ASN 38 H ASN 38 0.696 10.411 7.286 318 HA ASN 38 HA ASN 38 -0.125 9.704 4.600 319 HB2 ASN 38 HB2 ASN 38 2.605 10.544 5.664 320 HB3 ASN 38 HB3 ASN 38 2.021 10.621 4.002 321 HD21 ASN 38 HD21 ASN 38 2.049 12.140 7.169 322 HD22 ASN 38 HD22 ASN 38 1.227 13.614 6.648 323 H GLU 39 H GLU 39 -0.182 7.526 4.094 324 HA GLU 39 HA GLU 39 1.918 5.813 5.337 325 HB2 GLU 39 HB2 GLU 39 -0.478 5.344 5.923 326 HB3 GLU 39 HB3 GLU 39 -0.754 4.879 4.239 327 HG2 GLU 39 HG2 GLU 39 0.993 3.157 4.394 328 HG3 GLU 39 HG3 GLU 39 1.433 3.708 6.018 329 H THR 40 H THR 40 3.590 5.866 3.986 330 HA THR 40 HA THR 40 3.294 5.403 1.111 331 HB THR 40 HB THR 40 5.718 5.244 2.978 332 HG1 THR 40 HG1 THR 40 4.874 7.190 1.096 333 HG21 THR 40 HG21 THR 40 6.090 3.904 0.900 334 HG22 THR 40 HG22 THR 40 7.062 5.374 0.907 335 HG23 THR 40 HG23 THR 40 5.588 5.297 -0.083 336 H CYS 41 H CYS 41 3.589 3.257 0.166 337 HA CYS 41 HA CYS 41 4.815 1.362 1.872 338 HB2 CYS 41 HB2 CYS 41 3.244 -0.521 1.527 339 HB3 CYS 41 HB3 CYS 41 2.538 0.768 2.506 340 HG CYS 41 HG CYS 41 0.634 -0.134 1.085 341 H TYR 42 H TYR 42 5.655 -0.474 0.749 342 HA TYR 42 HA TYR 42 5.815 -0.217 -2.220 343 HB2 TYR 42 HB2 TYR 42 7.924 0.540 -1.295 344 HB3 TYR 42 HB3 TYR 42 7.951 -0.780 -0.132 345 HD1 TYR 42 HD1 TYR 42 7.442 -0.592 -3.895 346 HD2 TYR 42 HD2 TYR 42 9.576 -2.388 -0.588 347 HE1 TYR 42 HE1 TYR 42 8.714 -1.987 -5.471 348 HE2 TYR 42 HE2 TYR 42 10.987 -3.638 -2.186 349 HH TYR 42 HH TYR 42 11.572 -3.840 -4.442 350 H ILE 43 H ILE 43 5.224 -2.051 -3.248 351 HA ILE 43 HA ILE 43 4.442 -4.304 -1.505 352 HB ILE 43 HB ILE 43 3.568 -3.948 -4.354 353 HG12 ILE 43 HG12 ILE 43 2.899 -1.819 -3.577 354 HG13 ILE 43 HG13 ILE 43 1.483 -2.816 -3.618 355 HG21 ILE 43 HG21 ILE 43 1.804 -5.388 -3.656 356 HG22 ILE 43 HG22 ILE 43 3.248 -6.081 -2.989 357 HG23 ILE 43 HG23 ILE 43 2.156 -5.161 -1.934 358 HD11 ILE 43 HD11 ILE 43 1.740 -3.107 -1.084 359 HD12 ILE 43 HD12 ILE 43 3.025 -1.887 -1.159 360 HD13 ILE 43 HD13 ILE 43 1.392 -1.465 -1.664 361 H LEU 44 H LEU 44 5.804 -5.951 -1.399 362 HA LEU 44 HA LEU 44 7.703 -6.513 -3.604 363 HB2 LEU 44 HB2 LEU 44 7.492 -7.697 -0.811 364 HB3 LEU 44 HB3 LEU 44 8.772 -7.965 -1.985 365 HG LEU 44 HG LEU 44 8.611 -5.146 -1.789 366 HD11 LEU 44 HD11 LEU 44 7.214 -5.451 0.244 367 HD12 LEU 44 HD12 LEU 44 8.714 -4.561 0.492 368 HD13 LEU 44 HD13 LEU 44 8.579 -6.283 1.011 369 HD21 LEU 44 HD21 LEU 44 10.813 -5.338 -0.652 370 HD22 LEU 44 HD22 LEU 44 10.666 -6.391 -2.077 371 HD23 LEU 44 HD23 LEU 44 10.535 -7.080 -0.446 372 H GLU 45 H GLU 45 4.812 -7.944 -1.981 373 HA GLU 45 HA GLU 45 4.584 -9.862 -4.120 374 HB2 GLU 45 HB2 GLU 45 4.613 -11.798 -2.568 375 HB3 GLU 45 HB3 GLU 45 6.183 -10.996 -2.653 376 HG2 GLU 45 HG2 GLU 45 5.358 -9.659 -0.521 377 HG3 GLU 45 HG3 GLU 45 4.160 -10.951 -0.398 378 H GLY 46 H GLY 46 2.539 -11.147 -3.763 379 HA2 GLY 46 HA2 GLY 46 0.391 -11.371 -3.103 380 HA3 GLY 46 HA3 GLY 46 0.516 -10.021 -1.978 381 H LYS 47 H LYS 47 -1.713 -9.746 -3.029 382 HA LYS 47 HA LYS 47 -1.575 -7.686 -5.091 383 HB2 LYS 47 HB2 LYS 47 -2.059 -10.263 -5.995 384 HB3 LYS 47 HB3 LYS 47 -3.690 -9.722 -5.681 385 HG2 LYS 47 HG2 LYS 47 -1.625 -8.461 -7.516 386 HG3 LYS 47 HG3 LYS 47 -3.030 -9.384 -8.005 387 HD2 LYS 47 HD2 LYS 47 -3.262 -6.742 -6.590 388 HD3 LYS 47 HD3 LYS 47 -3.087 -6.856 -8.309 389 HE2 LYS 47 HE2 LYS 47 -5.408 -8.037 -6.759 390 HE3 LYS 47 HE3 LYS 47 -5.381 -6.430 -7.520 391 HZ1 LYS 47 HZ1 LYS 47 -4.802 -7.712 -9.646 392 HZ2 LYS 47 HZ2 LYS 47 -6.343 -7.929 -9.108 393 HZ3 LYS 47 HZ3 LYS 47 -5.239 -9.084 -8.873 394 H VAL 48 H VAL 48 -3.332 -6.287 -4.883 395 HA VAL 48 HA VAL 48 -5.539 -6.990 -3.083 396 HB VAL 48 HB VAL 48 -3.785 -4.514 -2.740 397 HG11 VAL 48 HG11 VAL 48 -6.195 -4.061 -2.215 398 HG12 VAL 48 HG12 VAL 48 -6.149 -5.370 -1.013 399 HG13 VAL 48 HG13 VAL 48 -5.133 -3.937 -0.812 400 HG21 VAL 48 HG21 VAL 48 -4.196 -6.840 -0.800 401 HG22 VAL 48 HG22 VAL 48 -2.713 -6.528 -1.718 402 HG23 VAL 48 HG23 VAL 48 -3.234 -5.377 -0.508 403 H GLU 49 H GLU 49 -7.404 -5.812 -3.624 404 HA GLU 49 HA GLU 49 -7.417 -3.877 -5.947 405 HB2 GLU 49 HB2 GLU 49 -9.143 -6.274 -5.317 406 HB3 GLU 49 HB3 GLU 49 -9.974 -4.788 -5.783 407 HG2 GLU 49 HG2 GLU 49 -8.755 -4.625 -7.847 408 HG3 GLU 49 HG3 GLU 49 -7.826 -6.072 -7.500 409 H VAL 50 H VAL 50 -7.047 -2.133 -4.345 410 HA VAL 50 HA VAL 50 -8.777 -1.887 -1.973 411 HB VAL 50 HB VAL 50 -6.878 0.141 -3.257 412 HG11 VAL 50 HG11 VAL 50 -8.483 1.157 -1.688 413 HG12 VAL 50 HG12 VAL 50 -7.994 -0.005 -0.438 414 HG13 VAL 50 HG13 VAL 50 -6.833 1.187 -1.043 415 HG21 VAL 50 HG21 VAL 50 -5.247 -0.510 -1.483 416 HG22 VAL 50 HG22 VAL 50 -6.304 -1.865 -1.042 417 HG23 VAL 50 HG23 VAL 50 -5.528 -1.797 -2.647 418 H THR 51 H THR 51 -10.619 -0.356 -1.930 419 HA THR 51 HA THR 51 -11.360 0.918 -4.514 420 HB THR 51 HB THR 51 -13.021 -1.183 -3.093 421 HG1 THR 51 HG1 THR 51 -12.262 -2.463 -4.599 422 HG21 THR 51 HG21 THR 51 -14.528 -0.891 -5.141 423 HG22 THR 51 HG22 THR 51 -13.670 0.629 -5.461 424 HG23 THR 51 HG23 THR 51 -14.583 0.429 -3.956 425 H THR 52 H THR 52 -11.843 3.014 -3.980 426 HA THR 52 HA THR 52 -12.460 3.799 -1.258 427 HB THR 52 HB THR 52 -12.746 6.021 -2.212 428 HG1 THR 52 HG1 THR 52 -12.447 6.329 -4.423 429 HG21 THR 52 HG21 THR 52 -10.528 6.392 -3.121 430 HG22 THR 52 HG22 THR 52 -10.349 4.670 -3.508 431 HG23 THR 52 HG23 THR 52 -10.430 5.202 -1.817 432 H GLU 53 H GLU 53 -14.617 5.013 -0.686 433 HA GLU 53 HA GLU 53 -16.754 3.300 -1.565 434 HB2 GLU 53 HB2 GLU 53 -18.125 4.443 -0.094 435 HB3 GLU 53 HB3 GLU 53 -16.623 4.038 0.706 436 HG2 GLU 53 HG2 GLU 53 -17.188 6.150 1.525 437 HG3 GLU 53 HG3 GLU 53 -15.911 6.445 0.359 438 H ASP 54 H ASP 54 -15.421 6.325 -2.591 439 HA ASP 54 HA ASP 54 -17.524 6.954 -4.539 440 HB2 ASP 54 HB2 ASP 54 -16.082 8.695 -3.506 441 HB3 ASP 54 HB3 ASP 54 -14.679 7.988 -4.311 442 H GLY 55 H GLY 55 -16.114 4.255 -4.441 443 HA2 GLY 55 HA2 GLY 55 -15.945 2.585 -5.976 444 HA3 GLY 55 HA3 GLY 55 -16.490 3.745 -7.180 445 H LYS 56 H LYS 56 -13.661 5.078 -6.042 446 HA LYS 56 HA LYS 56 -12.288 4.365 -8.482 447 HB2 LYS 56 HB2 LYS 56 -11.149 5.891 -6.096 448 HB3 LYS 56 HB3 LYS 56 -10.419 5.698 -7.685 449 HG2 LYS 56 HG2 LYS 56 -12.836 6.541 -8.479 450 HG3 LYS 56 HG3 LYS 56 -12.783 7.333 -6.897 451 HD2 LYS 56 HD2 LYS 56 -10.729 8.511 -7.539 452 HD3 LYS 56 HD3 LYS 56 -10.632 7.597 -9.054 453 HE2 LYS 56 HE2 LYS 56 -12.853 9.543 -8.283 454 HE3 LYS 56 HE3 LYS 56 -11.546 9.849 -9.433 455 HZ1 LYS 56 HZ1 LYS 56 -12.489 7.899 -10.688 456 HZ2 LYS 56 HZ2 LYS 56 -13.397 9.269 -10.674 457 HZ3 LYS 56 HZ3 LYS 56 -13.812 7.987 -9.723 458 H LYS 57 H LYS 57 -11.476 2.503 -8.823 459 HA LYS 57 HA LYS 57 -10.577 0.782 -6.608 460 HB2 LYS 57 HB2 LYS 57 -11.219 0.427 -9.548 461 HB3 LYS 57 HB3 LYS 57 -10.174 -0.748 -8.747 462 HG2 LYS 57 HG2 LYS 57 -11.886 -1.785 -7.774 463 HG3 LYS 57 HG3 LYS 57 -12.454 -0.278 -7.065 464 HD2 LYS 57 HD2 LYS 57 -14.214 -1.252 -8.369 465 HD3 LYS 57 HD3 LYS 57 -13.692 0.278 -9.086 466 HE2 LYS 57 HE2 LYS 57 -12.209 -1.055 -10.663 467 HE3 LYS 57 HE3 LYS 57 -12.970 -2.529 -10.030 468 HZ1 LYS 57 HZ1 LYS 57 -14.632 -2.189 -11.422 469 HZ2 LYS 57 HZ2 LYS 57 -13.886 -0.881 -12.054 470 HZ3 LYS 57 HZ3 LYS 57 -14.967 -0.706 -10.790 471 H TYR 58 H TYR 58 -8.629 0.479 -6.108 472 HA TYR 58 HA TYR 58 -6.505 0.847 -8.076 473 HB2 TYR 58 HB2 TYR 58 -6.253 1.530 -5.116 474 HB3 TYR 58 HB3 TYR 58 -5.062 1.814 -6.366 475 HD1 TYR 58 HD1 TYR 58 -5.737 3.632 -8.212 476 HD2 TYR 58 HD2 TYR 58 -7.772 3.164 -4.438 477 HE1 TYR 58 HE1 TYR 58 -6.494 5.983 -8.323 478 HE2 TYR 58 HE2 TYR 58 -8.356 5.577 -4.448 479 HH TYR 58 HH TYR 58 -8.400 7.555 -5.689 480 H VAL 59 H VAL 59 -6.652 -1.054 -8.555 481 HA VAL 59 HA VAL 59 -5.609 -3.273 -6.974 482 HB VAL 59 HB VAL 59 -6.867 -3.847 -8.684 483 HG11 VAL 59 HG11 VAL 59 -6.566 -3.294 -11.053 484 HG12 VAL 59 HG12 VAL 59 -7.242 -2.064 -9.989 485 HG13 VAL 59 HG13 VAL 59 -5.518 -1.954 -10.527 486 HG21 VAL 59 HG21 VAL 59 -4.517 -4.945 -8.507 487 HG22 VAL 59 HG22 VAL 59 -5.390 -5.242 -10.027 488 HG23 VAL 59 HG23 VAL 59 -4.092 -4.043 -9.951 489 H ILE 60 H ILE 60 -3.581 -3.591 -6.621 490 HA ILE 60 HA ILE 60 -1.397 -2.091 -7.833 491 HB ILE 60 HB ILE 60 -0.431 -2.262 -5.355 492 HG12 ILE 60 HG12 ILE 60 -3.347 -1.645 -4.758 493 HG13 ILE 60 HG13 ILE 60 -2.576 -3.158 -4.357 494 HG21 ILE 60 HG21 ILE 60 -0.564 -0.239 -6.768 495 HG22 ILE 60 HG22 ILE 60 -2.155 0.118 -6.054 496 HG23 ILE 60 HG23 ILE 60 -0.675 0.029 -5.050 497 HD11 ILE 60 HD11 ILE 60 -0.938 -1.845 -2.918 498 HD12 ILE 60 HD12 ILE 60 -2.004 -0.438 -3.155 499 HD13 ILE 60 HD13 ILE 60 -2.623 -1.888 -2.354 500 H GLU 61 H GLU 61 0.181 -3.587 -8.177 501 HA GLU 61 HA GLU 61 -0.350 -6.389 -7.330 502 HB2 GLU 61 HB2 GLU 61 1.415 -5.169 -9.505 503 HB3 GLU 61 HB3 GLU 61 1.334 -6.874 -9.072 504 HG2 GLU 61 HG2 GLU 61 -0.334 -7.127 -10.470 505 HG3 GLU 61 HG3 GLU 61 -1.365 -6.229 -9.415 506 H LYS 62 H LYS 62 1.926 -7.391 -7.207 507 HA LYS 62 HA LYS 62 3.793 -5.995 -5.431 508 HB2 LYS 62 HB2 LYS 62 5.166 -7.946 -5.774 509 HB3 LYS 62 HB3 LYS 62 3.536 -8.295 -5.186 510 HG2 LYS 62 HG2 LYS 62 3.315 -8.504 -7.962 511 HG3 LYS 62 HG3 LYS 62 4.908 -9.178 -7.622 512 HD2 LYS 62 HD2 LYS 62 4.079 -10.931 -6.368 513 HD3 LYS 62 HD3 LYS 62 2.590 -10.115 -5.907 514 HE2 LYS 62 HE2 LYS 62 1.679 -10.360 -8.175 515 HE3 LYS 62 HE3 LYS 62 3.162 -11.178 -8.695 516 HZ1 LYS 62 HZ1 LYS 62 2.664 -12.880 -7.009 517 HZ2 LYS 62 HZ2 LYS 62 1.520 -12.793 -8.191 518 HZ3 LYS 62 HZ3 LYS 62 1.207 -12.195 -6.685 519 H GLY 63 H GLY 63 5.228 -4.712 -6.253 520 HA2 GLY 63 HA2 GLY 63 6.785 -4.001 -8.032 521 HA3 GLY 63 HA3 GLY 63 5.516 -4.345 -9.205 522 H ASP 64 H ASP 64 4.367 -2.712 -6.348 523 HA ASP 64 HA ASP 64 4.292 -0.108 -7.809 524 HB2 ASP 64 HB2 ASP 64 2.188 -1.456 -6.022 525 HB3 ASP 64 HB3 ASP 64 2.107 0.188 -6.554 526 H LEU 65 H LEU 65 4.607 1.744 -6.513 527 HA LEU 65 HA LEU 65 5.011 1.384 -3.609 528 HB2 LEU 65 HB2 LEU 65 6.976 2.281 -4.700 529 HB3 LEU 65 HB3 LEU 65 5.978 3.482 -5.545 530 HG LEU 65 HG LEU 65 5.375 4.264 -3.056 531 HD11 LEU 65 HD11 LEU 65 8.158 3.068 -2.707 532 HD12 LEU 65 HD12 LEU 65 6.687 2.426 -1.967 533 HD13 LEU 65 HD13 LEU 65 7.265 4.041 -1.525 534 HD21 LEU 65 HD21 LEU 65 8.071 4.951 -4.254 535 HD22 LEU 65 HD22 LEU 65 7.028 5.955 -3.234 536 HD23 LEU 65 HD23 LEU 65 6.510 5.542 -4.880 537 H VAL 66 H VAL 66 3.576 2.743 -2.410 538 HA VAL 66 HA VAL 66 1.593 4.371 -3.889 539 HB VAL 66 HB VAL 66 0.958 2.625 -1.481 540 HG11 VAL 66 HG11 VAL 66 -0.874 3.943 -3.521 541 HG12 VAL 66 HG12 VAL 66 -1.397 2.867 -2.213 542 HG13 VAL 66 HG13 VAL 66 -0.665 4.415 -1.821 543 HG21 VAL 66 HG21 VAL 66 0.546 1.879 -4.396 544 HG22 VAL 66 HG22 VAL 66 1.548 1.016 -3.209 545 HG23 VAL 66 HG23 VAL 66 -0.194 1.035 -3.008 546 H THR 67 H THR 67 0.819 6.137 -2.663 547 HA THR 67 HA THR 67 1.710 6.409 0.119 548 HB THR 67 HB THR 67 1.984 8.640 -1.946 549 HG1 THR 67 HG1 THR 67 3.782 7.473 -2.025 550 HG21 THR 67 HG21 THR 67 2.819 9.977 0.008 551 HG22 THR 67 HG22 THR 67 2.452 8.618 1.102 552 HG23 THR 67 HG23 THR 67 1.145 9.481 0.280 553 H PHE 68 H PHE 68 -0.223 6.219 1.086 554 HA PHE 68 HA PHE 68 -2.722 7.289 -0.098 555 HB2 PHE 68 HB2 PHE 68 -2.097 5.970 2.585 556 HB3 PHE 68 HB3 PHE 68 -3.697 6.414 2.032 557 HD1 PHE 68 HD1 PHE 68 -4.746 5.221 0.044 558 HD2 PHE 68 HD2 PHE 68 -1.034 3.917 1.828 559 HE1 PHE 68 HE1 PHE 68 -5.037 2.981 -0.956 560 HE2 PHE 68 HE2 PHE 68 -1.311 1.696 0.763 561 HZ PHE 68 HZ PHE 68 -3.323 1.215 -0.610 562 HA PRO 69 HA PRO 69 -2.197 11.103 2.213 563 HB2 PRO 69 HB2 PRO 69 -4.762 11.958 2.681 564 HB3 PRO 69 HB3 PRO 69 -4.111 11.942 1.035 565 HG2 PRO 69 HG2 PRO 69 -5.716 9.801 2.415 566 HG3 PRO 69 HG3 PRO 69 -6.023 10.608 0.850 567 HD2 PRO 69 HD2 PRO 69 -4.757 8.174 0.982 568 HD3 PRO 69 HD3 PRO 69 -4.214 9.412 -0.194 569 H LYS 70 H LYS 70 -3.062 12.101 4.012 570 HA LYS 70 HA LYS 70 -3.422 10.509 6.507 571 HB2 LYS 70 HB2 LYS 70 -1.711 12.280 6.491 572 HB3 LYS 70 HB3 LYS 70 -2.887 13.475 5.945 573 HG2 LYS 70 HG2 LYS 70 -4.023 13.479 8.048 574 HG3 LYS 70 HG3 LYS 70 -3.140 12.045 8.618 575 HD2 LYS 70 HD2 LYS 70 -1.015 13.239 8.538 576 HD3 LYS 70 HD3 LYS 70 -1.826 14.710 7.968 577 HE2 LYS 70 HE2 LYS 70 -2.756 15.175 10.014 578 HE3 LYS 70 HE3 LYS 70 -3.024 13.478 10.401 579 HZ1 LYS 70 HZ1 LYS 70 -0.783 13.241 11.050 580 HZ2 LYS 70 HZ2 LYS 70 -1.375 14.557 11.791 581 HZ3 LYS 70 HZ3 LYS 70 -0.337 14.747 10.524 582 H GLY 71 H GLY 71 -5.586 9.833 6.469 583 HA2 GLY 71 HA2 GLY 71 -7.705 10.353 7.258 584 HA3 GLY 71 HA3 GLY 71 -7.638 11.942 6.516 585 H LEU 72 H LEU 72 -7.699 8.429 5.652 586 HA LEU 72 HA LEU 72 -9.693 8.945 3.537 587 HB2 LEU 72 HB2 LEU 72 -7.735 8.971 2.220 588 HB3 LEU 72 HB3 LEU 72 -6.968 7.685 3.161 589 HG LEU 72 HG LEU 72 -8.588 6.039 2.159 590 HD11 LEU 72 HD11 LEU 72 -9.295 8.342 0.282 591 HD12 LEU 72 HD12 LEU 72 -10.408 7.626 1.455 592 HD13 LEU 72 HD13 LEU 72 -9.808 6.651 0.118 593 HD21 LEU 72 HD21 LEU 72 -7.458 5.949 -0.003 594 HD22 LEU 72 HD22 LEU 72 -6.320 6.360 1.292 595 HD23 LEU 72 HD23 LEU 72 -6.911 7.629 0.185 596 H ARG 73 H ARG 73 -10.950 7.088 3.109 597 HA ARG 73 HA ARG 73 -10.653 4.694 4.815 598 HB2 ARG 73 HB2 ARG 73 -13.242 4.762 4.923 599 HB3 ARG 73 HB3 ARG 73 -12.344 5.702 6.080 600 HG2 ARG 73 HG2 ARG 73 -13.381 6.990 3.537 601 HG3 ARG 73 HG3 ARG 73 -14.431 6.710 4.911 602 HD2 ARG 73 HD2 ARG 73 -13.562 8.388 6.155 603 HD3 ARG 73 HD3 ARG 73 -11.902 8.039 5.680 604 HE ARG 73 HE ARG 73 -12.631 9.131 3.420 605 HH11 ARG 73 HH11 ARG 73 -13.398 10.428 6.719 606 HH12 ARG 73 HH12 ARG 73 -13.347 12.042 6.111 607 HH21 ARG 73 HH21 ARG 73 -12.541 11.180 2.817 608 HH22 ARG 73 HH22 ARG 73 -12.842 12.492 3.901 609 H CYS 74 H CYS 74 -11.036 2.819 3.612 610 HA CYS 74 HA CYS 74 -12.745 2.883 1.257 611 HB2 CYS 74 HB2 CYS 74 -10.950 1.914 -0.173 612 HB3 CYS 74 HB3 CYS 74 -10.796 3.676 0.093 613 HG CYS 74 HG CYS 74 -9.300 1.374 1.926 614 H ARG 75 H ARG 75 -12.797 0.705 0.202 615 HA ARG 75 HA ARG 75 -12.735 -1.491 2.107 616 HB2 ARG 75 HB2 ARG 75 -13.933 -1.001 -0.430 617 HB3 ARG 75 HB3 ARG 75 -12.777 -2.269 -0.735 618 HG2 ARG 75 HG2 ARG 75 -14.399 -3.664 0.011 619 HG3 ARG 75 HG3 ARG 75 -13.918 -3.184 1.636 620 HD2 ARG 75 HD2 ARG 75 -16.111 -2.210 -0.139 621 HD3 ARG 75 HD3 ARG 75 -16.283 -2.933 1.470 622 HE ARG 75 HE ARG 75 -14.839 -0.391 1.542 623 HH11 ARG 75 HH11 ARG 75 -18.035 -1.618 0.604 624 HH12 ARG 75 HH12 ARG 75 -18.938 -0.345 1.296 625 HH21 ARG 75 HH21 ARG 75 -16.138 1.203 2.878 626 HH22 ARG 75 HH22 ARG 75 -17.801 1.405 2.412 627 H TRP 76 H TRP 76 -11.619 -3.494 1.542 628 HA TRP 76 HA TRP 76 -9.038 -3.213 0.162 629 HB2 TRP 76 HB2 TRP 76 -9.313 -3.211 3.087 630 HB3 TRP 76 HB3 TRP 76 -8.367 -4.572 2.523 631 HD1 TRP 76 HD1 TRP 76 -8.404 -0.741 1.936 632 HE1 TRP 76 HE1 TRP 76 -5.974 0.055 1.566 633 HE3 TRP 76 HE3 TRP 76 -5.975 -5.237 2.350 634 HZ2 TRP 76 HZ2 TRP 76 -3.370 -1.126 1.285 635 HZ3 TRP 76 HZ3 TRP 76 -3.534 -5.356 2.003 636 HH2 TRP 76 HH2 TRP 76 -2.238 -3.336 1.455 637 H LYS 77 H LYS 77 -9.416 -4.884 -1.363 638 HA LYS 77 HA LYS 77 -10.314 -7.519 -0.263 639 HB2 LYS 77 HB2 LYS 77 -11.664 -6.759 -2.169 640 HB3 LYS 77 HB3 LYS 77 -10.168 -6.599 -3.154 641 HG2 LYS 77 HG2 LYS 77 -9.857 -8.861 -3.324 642 HG3 LYS 77 HG3 LYS 77 -10.668 -9.228 -1.820 643 HD2 LYS 77 HD2 LYS 77 -12.037 -10.124 -3.472 644 HD3 LYS 77 HD3 LYS 77 -12.893 -8.692 -2.924 645 HE2 LYS 77 HE2 LYS 77 -11.097 -8.799 -5.403 646 HE3 LYS 77 HE3 LYS 77 -12.825 -9.153 -5.433 647 HZ1 LYS 77 HZ1 LYS 77 -12.368 -6.922 -6.088 648 HZ2 LYS 77 HZ2 LYS 77 -11.637 -6.555 -4.692 649 HZ3 LYS 77 HZ3 LYS 77 -13.250 -6.908 -4.679 650 H VAL 78 H VAL 78 -8.564 -8.762 0.282 651 HA VAL 78 HA VAL 78 -5.981 -8.378 -1.009 652 HB VAL 78 HB VAL 78 -6.699 -10.590 0.925 653 HG11 VAL 78 HG11 VAL 78 -4.577 -10.626 -0.144 654 HG12 VAL 78 HG12 VAL 78 -4.174 -8.986 0.413 655 HG13 VAL 78 HG13 VAL 78 -4.347 -10.322 1.572 656 HG21 VAL 78 HG21 VAL 78 -7.541 -8.571 2.118 657 HG22 VAL 78 HG22 VAL 78 -6.057 -9.132 2.853 658 HG23 VAL 78 HG23 VAL 78 -6.043 -7.714 1.755 659 H LEU 79 H LEU 79 -5.648 -9.519 -2.833 660 HA LEU 79 HA LEU 79 -7.329 -11.955 -3.330 661 HB2 LEU 79 HB2 LEU 79 -5.809 -10.210 -5.296 662 HB3 LEU 79 HB3 LEU 79 -6.581 -11.748 -5.692 663 HG LEU 79 HG LEU 79 -7.984 -9.234 -4.665 664 HD11 LEU 79 HD11 LEU 79 -8.157 -10.618 -7.357 665 HD12 LEU 79 HD12 LEU 79 -7.279 -9.111 -7.023 666 HD13 LEU 79 HD13 LEU 79 -9.039 -9.162 -6.864 667 HD21 LEU 79 HD21 LEU 79 -9.242 -11.100 -3.787 668 HD22 LEU 79 HD22 LEU 79 -9.054 -12.017 -5.288 669 HD23 LEU 79 HD23 LEU 79 -10.091 -10.583 -5.240 670 H GLU 80 H GLU 80 -4.167 -10.922 -2.390 671 HA GLU 80 HA GLU 80 -3.530 -13.769 -2.257 672 HB2 GLU 80 HB2 GLU 80 -1.583 -11.779 -3.455 673 HB3 GLU 80 HB3 GLU 80 -1.232 -13.479 -3.187 674 HG2 GLU 80 HG2 GLU 80 -2.772 -14.044 -5.037 675 HG3 GLU 80 HG3 GLU 80 -3.184 -12.334 -5.235 676 HA PRO 81 HA PRO 81 -2.269 -12.322 1.680 677 HB2 PRO 81 HB2 PRO 81 -0.360 -14.164 2.475 678 HB3 PRO 81 HB3 PRO 81 -2.132 -14.417 2.490 679 HG2 PRO 81 HG2 PRO 81 -0.124 -15.282 0.412 680 HG3 PRO 81 HG3 PRO 81 -1.504 -16.207 1.078 681 HD2 PRO 81 HD2 PRO 81 -1.627 -14.942 -1.324 682 HD3 PRO 81 HD3 PRO 81 -3.054 -15.022 -0.250 683 H VAL 82 H VAL 82 -1.416 -10.404 1.414 684 HA VAL 82 HA VAL 82 0.945 -9.824 -0.004 685 HB VAL 82 HB VAL 82 -1.068 -8.418 0.202 686 HG11 VAL 82 HG11 VAL 82 -0.146 -7.713 3.016 687 HG12 VAL 82 HG12 VAL 82 -1.530 -7.045 2.113 688 HG13 VAL 82 HG13 VAL 82 -1.546 -8.740 2.627 689 HG21 VAL 82 HG21 VAL 82 -0.040 -6.267 0.293 690 HG22 VAL 82 HG22 VAL 82 1.350 -6.883 1.210 691 HG23 VAL 82 HG23 VAL 82 1.072 -7.403 -0.471 692 H ARG 83 H ARG 83 2.863 -8.840 0.608 693 HA ARG 83 HA ARG 83 3.488 -8.518 3.437 694 HB2 ARG 83 HB2 ARG 83 4.574 -10.707 2.083 695 HB3 ARG 83 HB3 ARG 83 5.822 -9.480 1.874 696 HG2 ARG 83 HG2 ARG 83 5.975 -9.191 4.312 697 HG3 ARG 83 HG3 ARG 83 4.621 -10.312 4.549 698 HD2 ARG 83 HD2 ARG 83 5.879 -12.134 3.523 699 HD3 ARG 83 HD3 ARG 83 7.238 -11.054 3.191 700 HE ARG 83 HE ARG 83 6.278 -11.529 5.967 701 HH11 ARG 83 HH11 ARG 83 8.598 -12.563 3.517 702 HH12 ARG 83 HH12 ARG 83 9.868 -12.949 4.621 703 HH21 ARG 83 HH21 ARG 83 7.908 -12.191 7.495 704 HH22 ARG 83 HH22 ARG 83 9.434 -12.778 6.927 705 H LYS 84 H LYS 84 3.765 -6.299 3.419 706 HA LYS 84 HA LYS 84 5.243 -5.110 1.146 707 HB2 LYS 84 HB2 LYS 84 3.712 -3.635 0.441 708 HB3 LYS 84 HB3 LYS 84 2.599 -4.907 0.845 709 HG2 LYS 84 HG2 LYS 84 3.241 -2.478 2.589 710 HG3 LYS 84 HG3 LYS 84 1.904 -2.594 1.463 711 HD2 LYS 84 HD2 LYS 84 1.787 -4.897 3.177 712 HD3 LYS 84 HD3 LYS 84 2.066 -3.488 4.194 713 HE2 LYS 84 HE2 LYS 84 -0.062 -3.485 1.995 714 HE3 LYS 84 HE3 LYS 84 -0.380 -4.271 3.529 715 HZ1 LYS 84 HZ1 LYS 84 0.092 -2.082 4.619 716 HZ2 LYS 84 HZ2 LYS 84 -1.245 -2.165 3.745 717 HZ3 LYS 84 HZ3 LYS 84 0.042 -1.386 3.122 718 H HIS 85 H HIS 85 6.211 -3.217 1.676 719 HA HIS 85 HA HIS 85 6.783 -2.950 4.578 720 HB2 HIS 85 HB2 HIS 85 8.345 -2.276 2.070 721 HB3 HIS 85 HB3 HIS 85 8.625 -1.375 3.554 722 HD1 HIS 85 HD1 HIS 85 9.442 -4.822 2.092 723 HD2 HIS 85 HD2 HIS 85 9.681 -2.603 5.665 724 HE1 HIS 85 HE1 HIS 85 11.040 -6.079 3.652 725 H TYR 86 H TYR 86 5.233 -1.569 5.391 726 HA TYR 86 HA TYR 86 4.403 0.813 3.813 727 HB2 TYR 86 HB2 TYR 86 2.540 1.084 5.138 728 HB3 TYR 86 HB3 TYR 86 2.577 -0.660 4.888 729 HD1 TYR 86 HD1 TYR 86 3.906 -1.975 6.942 730 HD2 TYR 86 HD2 TYR 86 2.141 1.964 7.205 731 HE1 TYR 86 HE1 TYR 86 3.830 -2.176 9.385 732 HE2 TYR 86 HE2 TYR 86 2.000 1.749 9.634 733 HH TYR 86 HH TYR 86 1.849 -0.077 11.261 734 H ASN 87 H ASN 87 4.509 2.944 4.967 735 HA ASN 87 HA ASN 87 5.464 2.824 7.656 736 HB2 ASN 87 HB2 ASN 87 7.642 2.879 6.280 737 HB3 ASN 87 HB3 ASN 87 7.192 4.521 5.812 738 HD21 ASN 87 HD21 ASN 87 9.351 4.764 6.916 739 HD22 ASN 87 HD22 ASN 87 9.415 5.051 8.630 740 H LEU 88 H LEU 88 4.803 4.582 8.792 741 HA LEU 88 HA LEU 88 2.991 6.477 7.476 742 HB2 LEU 88 HB2 LEU 88 3.705 6.028 10.390 743 HB3 LEU 88 HB3 LEU 88 2.455 7.126 9.821 744 HG LEU 88 HG LEU 88 2.386 4.121 9.229 745 HD11 LEU 88 HD11 LEU 88 2.397 4.475 11.677 746 HD12 LEU 88 HD12 LEU 88 0.810 3.929 11.117 747 HD13 LEU 88 HD13 LEU 88 1.062 5.636 11.530 748 HD21 LEU 88 HD21 LEU 88 0.156 6.192 9.258 749 HD22 LEU 88 HD22 LEU 88 0.082 4.473 8.789 750 HD23 LEU 88 HD23 LEU 88 0.983 5.616 7.793 751 H PHE 89 H PHE 89 3.237 8.883 8.078 752 HA PHE 89 HA PHE 89 5.550 9.695 9.486 753 HB2 PHE 89 HB2 PHE 89 6.352 11.338 7.798 754 HB3 PHE 89 HB3 PHE 89 6.775 9.678 7.479 755 HD1 PHE 89 HD1 PHE 89 5.049 8.385 5.780 756 HD2 PHE 89 HD2 PHE 89 5.715 12.653 5.962 757 HE1 PHE 89 HE1 PHE 89 4.295 8.595 3.474 758 HE2 PHE 89 HE2 PHE 89 5.079 12.841 3.591 759 HZ PHE 89 HZ PHE 89 4.383 10.789 2.311 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -5.122 15.887 -2.177 2 HA MET 1 HA MET 1 -4.943 14.285 0.319 3 HB2 MET 1 HB2 MET 1 -7.122 16.193 -0.608 4 HB3 MET 1 HB3 MET 1 -7.335 15.023 0.686 5 HG2 MET 1 HG2 MET 1 -6.418 16.335 2.182 6 HG3 MET 1 HG3 MET 1 -4.932 16.480 1.263 7 HE1 MET 1 HE1 MET 1 -5.675 19.666 -0.943 8 HE2 MET 1 HE2 MET 1 -4.372 18.591 -0.387 9 HE3 MET 1 HE3 MET 1 -5.739 17.949 -1.335 10 H GLU 2 H GLU 2 -4.362 12.892 -1.929 11 HA GLU 2 HA GLU 2 -6.650 11.224 -2.313 12 HB2 GLU 2 HB2 GLU 2 -6.829 13.215 -3.975 13 HB3 GLU 2 HB3 GLU 2 -5.431 12.521 -4.801 14 HG2 GLU 2 HG2 GLU 2 -6.644 10.702 -5.565 15 HG3 GLU 2 HG3 GLU 2 -7.659 10.660 -4.116 16 H VAL 3 H VAL 3 -5.784 9.361 -3.982 17 HA VAL 3 HA VAL 3 -3.501 8.345 -2.541 18 HB VAL 3 HB VAL 3 -5.287 7.255 -4.771 19 HG11 VAL 3 HG11 VAL 3 -3.172 6.019 -4.818 20 HG12 VAL 3 HG12 VAL 3 -3.244 5.793 -3.052 21 HG13 VAL 3 HG13 VAL 3 -4.425 5.004 -4.125 22 HG21 VAL 3 HG21 VAL 3 -6.182 5.902 -2.756 23 HG22 VAL 3 HG22 VAL 3 -5.269 7.028 -1.744 24 HG23 VAL 3 HG23 VAL 3 -6.566 7.614 -2.781 25 H LYS 4 H LYS 4 -1.416 8.068 -3.214 26 HA LYS 4 HA LYS 4 -0.725 8.900 -5.989 27 HB2 LYS 4 HB2 LYS 4 0.052 10.251 -3.855 28 HB3 LYS 4 HB3 LYS 4 1.216 8.971 -3.692 29 HG2 LYS 4 HG2 LYS 4 1.965 9.447 -6.090 30 HG3 LYS 4 HG3 LYS 4 0.806 10.784 -6.112 31 HD2 LYS 4 HD2 LYS 4 2.892 11.787 -5.605 32 HD3 LYS 4 HD3 LYS 4 2.016 11.753 -4.074 33 HE2 LYS 4 HE2 LYS 4 3.247 9.582 -3.527 34 HE3 LYS 4 HE3 LYS 4 4.212 9.832 -4.986 35 HZ1 LYS 4 HZ1 LYS 4 4.032 11.741 -2.727 36 HZ2 LYS 4 HZ2 LYS 4 5.071 11.855 -4.002 37 HZ3 LYS 4 HZ3 LYS 4 5.212 10.635 -2.893 38 H ILE 5 H ILE 5 -0.913 6.892 -6.861 39 HA ILE 5 HA ILE 5 0.865 4.674 -5.883 40 HB ILE 5 HB ILE 5 -1.095 4.743 -8.210 41 HG12 ILE 5 HG12 ILE 5 -1.405 2.822 -5.894 42 HG13 ILE 5 HG13 ILE 5 -1.943 4.459 -5.666 43 HG21 ILE 5 HG21 ILE 5 0.659 2.519 -7.084 44 HG22 ILE 5 HG22 ILE 5 -0.673 2.239 -8.211 45 HG23 ILE 5 HG23 ILE 5 0.727 3.209 -8.715 46 HD11 ILE 5 HD11 ILE 5 -2.973 2.427 -7.633 47 HD12 ILE 5 HD12 ILE 5 -3.822 3.344 -6.359 48 HD13 ILE 5 HD13 ILE 5 -3.301 4.172 -7.839 49 H GLU 6 H GLU 6 2.711 4.204 -6.828 50 HA GLU 6 HA GLU 6 3.065 4.892 -9.605 51 HB2 GLU 6 HB2 GLU 6 5.286 6.030 -9.330 52 HB3 GLU 6 HB3 GLU 6 3.841 6.965 -8.929 53 HG2 GLU 6 HG2 GLU 6 4.253 6.592 -6.530 54 HG3 GLU 6 HG3 GLU 6 5.739 5.707 -6.911 55 H LYS 7 H LYS 7 5.361 4.073 -10.357 56 HA LYS 7 HA LYS 7 6.058 1.643 -8.767 57 HB2 LYS 7 HB2 LYS 7 5.678 1.598 -11.761 58 HB3 LYS 7 HB3 LYS 7 6.243 0.289 -10.708 59 HG2 LYS 7 HG2 LYS 7 4.083 -0.341 -10.730 60 HG3 LYS 7 HG3 LYS 7 3.956 0.814 -9.427 61 HD2 LYS 7 HD2 LYS 7 2.384 1.863 -10.594 62 HD3 LYS 7 HD3 LYS 7 3.584 2.414 -11.735 63 HE2 LYS 7 HE2 LYS 7 2.121 -0.266 -11.887 64 HE3 LYS 7 HE3 LYS 7 1.665 1.185 -12.796 65 HZ1 LYS 7 HZ1 LYS 7 3.010 -0.337 -14.086 66 HZ2 LYS 7 HZ2 LYS 7 4.271 -0.197 -13.046 67 HZ3 LYS 7 HZ3 LYS 7 3.765 1.101 -13.933 68 HA PRO 8 HA PRO 8 9.732 4.302 -9.666 69 HB2 PRO 8 HB2 PRO 8 10.910 4.006 -7.132 70 HB3 PRO 8 HB3 PRO 8 9.642 5.194 -7.552 71 HG2 PRO 8 HG2 PRO 8 9.329 2.449 -6.297 72 HG3 PRO 8 HG3 PRO 8 8.618 4.035 -5.781 73 HD2 PRO 8 HD2 PRO 8 7.274 2.168 -7.203 74 HD3 PRO 8 HD3 PRO 8 7.016 3.920 -7.485 75 H THR 9 H THR 9 12.164 3.890 -9.448 76 HA THR 9 HA THR 9 12.912 1.310 -10.406 77 HB THR 9 HB THR 9 14.175 3.142 -11.138 78 HG1 THR 9 HG1 THR 9 16.176 2.347 -10.768 79 HG21 THR 9 HG21 THR 9 14.834 3.677 -8.222 80 HG22 THR 9 HG22 THR 9 13.899 4.728 -9.301 81 HG23 THR 9 HG23 THR 9 15.631 4.457 -9.594 82 HA PRO 10 HA PRO 10 13.404 -0.766 -6.496 83 HB2 PRO 10 HB2 PRO 10 15.269 -2.692 -7.116 84 HB3 PRO 10 HB3 PRO 10 13.539 -2.722 -7.619 85 HG2 PRO 10 HG2 PRO 10 15.940 -1.737 -9.213 86 HG3 PRO 10 HG3 PRO 10 14.692 -2.918 -9.730 87 HD2 PRO 10 HD2 PRO 10 14.503 -0.311 -10.403 88 HD3 PRO 10 HD3 PRO 10 13.039 -1.201 -9.899 89 H GLU 11 H GLU 11 16.172 0.635 -8.211 90 HA GLU 11 HA GLU 11 18.158 0.240 -6.242 91 HB2 GLU 11 HB2 GLU 11 17.803 2.363 -8.395 92 HB3 GLU 11 HB3 GLU 11 19.248 2.229 -7.377 93 HG2 GLU 11 HG2 GLU 11 19.705 -0.013 -8.163 94 HG3 GLU 11 HG3 GLU 11 18.195 -0.059 -9.079 95 H LYS 12 H LYS 12 16.123 3.133 -6.820 96 HA LYS 12 HA LYS 12 16.818 4.628 -4.557 97 HB2 LYS 12 HB2 LYS 12 15.341 5.305 -6.533 98 HB3 LYS 12 HB3 LYS 12 14.003 4.502 -5.726 99 HG2 LYS 12 HG2 LYS 12 13.641 6.310 -4.413 100 HG3 LYS 12 HG3 LYS 12 15.296 6.263 -3.819 101 HD2 LYS 12 HD2 LYS 12 15.913 7.463 -6.072 102 HD3 LYS 12 HD3 LYS 12 14.183 7.813 -6.190 103 HE2 LYS 12 HE2 LYS 12 14.247 8.964 -4.022 104 HE3 LYS 12 HE3 LYS 12 15.907 8.424 -3.750 105 HZ1 LYS 12 HZ1 LYS 12 15.974 10.638 -4.418 106 HZ2 LYS 12 HZ2 LYS 12 15.026 10.437 -5.732 107 HZ3 LYS 12 HZ3 LYS 12 16.544 9.776 -5.686 108 H LEU 13 H LEU 13 14.509 1.938 -4.804 109 HA LEU 13 HA LEU 13 13.381 2.343 -2.174 110 HB2 LEU 13 HB2 LEU 13 13.250 0.158 -4.254 111 HB3 LEU 13 HB3 LEU 13 12.725 -0.175 -2.617 112 HG LEU 13 HG LEU 13 10.896 0.425 -4.144 113 HD11 LEU 13 HD11 LEU 13 11.244 2.297 -1.780 114 HD12 LEU 13 HD12 LEU 13 10.506 0.679 -1.794 115 HD13 LEU 13 HD13 LEU 13 9.749 2.006 -2.673 116 HD21 LEU 13 HD21 LEU 13 12.236 3.136 -4.295 117 HD22 LEU 13 HD22 LEU 13 10.528 2.903 -4.562 118 HD23 LEU 13 HD23 LEU 13 11.675 2.037 -5.590 119 H LYS 14 H LYS 14 16.365 0.713 -3.197 120 HA LYS 14 HA LYS 14 16.621 -0.684 -0.656 121 HB2 LYS 14 HB2 LYS 14 18.546 -0.003 -2.840 122 HB3 LYS 14 HB3 LYS 14 19.164 -0.244 -1.208 123 HG2 LYS 14 HG2 LYS 14 19.261 -2.374 -2.171 124 HG3 LYS 14 HG3 LYS 14 17.886 -2.409 -1.085 125 HD2 LYS 14 HD2 LYS 14 16.332 -2.159 -2.959 126 HD3 LYS 14 HD3 LYS 14 17.702 -2.015 -4.075 127 HE2 LYS 14 HE2 LYS 14 18.459 -4.326 -3.096 128 HE3 LYS 14 HE3 LYS 14 16.835 -4.410 -2.397 129 HZ1 LYS 14 HZ1 LYS 14 17.581 -4.395 -5.255 130 HZ2 LYS 14 HZ2 LYS 14 16.014 -4.141 -4.750 131 HZ3 LYS 14 HZ3 LYS 14 16.764 -5.537 -4.446 132 H GLU 15 H GLU 15 17.565 2.503 -1.943 133 HA GLU 15 HA GLU 15 19.125 3.230 0.291 134 HB2 GLU 15 HB2 GLU 15 17.826 5.359 -1.412 135 HB3 GLU 15 HB3 GLU 15 19.445 5.304 -0.694 136 HG2 GLU 15 HG2 GLU 15 19.817 3.275 -2.323 137 HG3 GLU 15 HG3 GLU 15 18.352 3.900 -3.110 138 H LEU 16 H LEU 16 15.745 3.920 -0.476 139 HA LEU 16 HA LEU 16 15.047 5.595 1.685 140 HB2 LEU 16 HB2 LEU 16 13.506 3.476 0.123 141 HB3 LEU 16 HB3 LEU 16 12.749 4.484 1.347 142 HG LEU 16 HG LEU 16 14.044 5.473 -1.225 143 HD11 LEU 16 HD11 LEU 16 11.864 4.431 -1.563 144 HD12 LEU 16 HD12 LEU 16 11.742 6.168 -1.794 145 HD13 LEU 16 HD13 LEU 16 11.147 5.435 -0.285 146 HD21 LEU 16 HD21 LEU 16 12.935 6.979 1.153 147 HD22 LEU 16 HD22 LEU 16 13.014 7.703 -0.460 148 HD23 LEU 16 HD23 LEU 16 14.498 7.180 0.314 149 H SER 17 H SER 17 16.131 2.410 1.873 150 HA SER 17 HA SER 17 16.546 1.009 3.554 151 HB2 SER 17 HB2 SER 17 15.998 3.414 5.320 152 HB3 SER 17 HB3 SER 17 16.895 1.964 5.766 153 HG SER 17 HG SER 17 17.606 3.658 3.575 154 H VAL 18 H VAL 18 14.131 0.840 2.395 155 HA VAL 18 HA VAL 18 11.814 0.560 3.964 156 HB VAL 18 HB VAL 18 12.724 -0.993 1.520 157 HG11 VAL 18 HG11 VAL 18 9.952 -0.381 2.507 158 HG12 VAL 18 HG12 VAL 18 10.364 -1.223 0.991 159 HG13 VAL 18 HG13 VAL 18 10.780 -1.967 2.546 160 HG21 VAL 18 HG21 VAL 18 11.580 0.713 0.183 161 HG22 VAL 18 HG22 VAL 18 11.177 1.630 1.650 162 HG23 VAL 18 HG23 VAL 18 12.859 1.467 1.118 163 H GLU 19 H GLU 19 14.631 -1.623 3.449 164 HA GLU 19 HA GLU 19 13.528 -3.842 4.845 165 HB2 GLU 19 HB2 GLU 19 15.861 -4.572 5.134 166 HB3 GLU 19 HB3 GLU 19 15.485 -4.094 3.476 167 HG2 GLU 19 HG2 GLU 19 16.608 -1.938 3.791 168 HG3 GLU 19 HG3 GLU 19 16.817 -2.236 5.479 169 H LYS 20 H LYS 20 14.257 -0.762 6.116 170 HA LYS 20 HA LYS 20 14.588 -1.753 8.879 171 HB2 LYS 20 HB2 LYS 20 14.973 1.102 7.938 172 HB3 LYS 20 HB3 LYS 20 15.428 0.378 9.472 173 HG2 LYS 20 HG2 LYS 20 16.905 -1.237 8.043 174 HG3 LYS 20 HG3 LYS 20 16.628 -0.075 6.722 175 HD2 LYS 20 HD2 LYS 20 17.726 1.699 8.007 176 HD3 LYS 20 HD3 LYS 20 17.764 0.649 9.442 177 HE2 LYS 20 HE2 LYS 20 19.135 -1.003 8.070 178 HE3 LYS 20 HE3 LYS 20 19.325 0.262 6.845 179 HZ1 LYS 20 HZ1 LYS 20 20.054 0.642 9.682 180 HZ2 LYS 20 HZ2 LYS 20 20.528 1.569 8.426 181 HZ3 LYS 20 HZ3 LYS 20 21.104 0.022 8.587 182 H TRP 21 H TRP 21 12.138 -0.940 6.827 183 HA TRP 21 HA TRP 21 10.562 0.739 8.622 184 HB2 TRP 21 HB2 TRP 21 9.920 -0.643 5.995 185 HB3 TRP 21 HB3 TRP 21 8.836 0.390 6.858 186 HD1 TRP 21 HD1 TRP 21 12.315 1.847 6.919 187 HE1 TRP 21 HE1 TRP 21 12.559 3.633 5.238 188 HE3 TRP 21 HE3 TRP 21 7.977 1.043 4.288 189 HZ2 TRP 21 HZ2 TRP 21 11.131 4.643 2.914 190 HZ3 TRP 21 HZ3 TRP 21 7.470 2.416 2.296 191 HH2 TRP 21 HH2 TRP 21 9.015 4.245 1.599 192 HA PRO 22 HA PRO 22 8.581 -2.954 10.358 193 HB2 PRO 22 HB2 PRO 22 5.930 -2.286 10.589 194 HB3 PRO 22 HB3 PRO 22 7.210 -1.643 11.651 195 HG2 PRO 22 HG2 PRO 22 6.012 -0.339 9.191 196 HG3 PRO 22 HG3 PRO 22 6.269 0.392 10.803 197 HD2 PRO 22 HD2 PRO 22 8.046 0.777 8.799 198 HD3 PRO 22 HD3 PRO 22 8.617 0.525 10.456 199 H ILE 23 H ILE 23 7.951 -4.850 9.512 200 HA ILE 23 HA ILE 23 6.771 -5.063 6.820 201 HB ILE 23 HB ILE 23 7.572 -7.106 8.948 202 HG12 ILE 23 HG12 ILE 23 8.679 -6.346 6.226 203 HG13 ILE 23 HG13 ILE 23 9.469 -6.048 7.735 204 HG21 ILE 23 HG21 ILE 23 5.634 -8.056 7.790 205 HG22 ILE 23 HG22 ILE 23 6.346 -7.666 6.204 206 HG23 ILE 23 HG23 ILE 23 7.073 -8.888 7.275 207 HD11 ILE 23 HD11 ILE 23 10.611 -7.858 6.978 208 HD12 ILE 23 HD12 ILE 23 9.382 -8.705 7.934 209 HD13 ILE 23 HD13 ILE 23 9.196 -8.568 6.168 210 H TRP 24 H TRP 24 4.621 -5.790 6.453 211 HA TRP 24 HA TRP 24 2.965 -6.586 8.706 212 HB2 TRP 24 HB2 TRP 24 2.518 -4.215 8.605 213 HB3 TRP 24 HB3 TRP 24 2.327 -4.247 6.855 214 HD1 TRP 24 HD1 TRP 24 0.422 -4.250 9.976 215 HE1 TRP 24 HE1 TRP 24 -2.052 -4.720 9.568 216 HE3 TRP 24 HE3 TRP 24 0.710 -5.918 5.152 217 HZ2 TRP 24 HZ2 TRP 24 -3.716 -5.581 7.340 218 HZ3 TRP 24 HZ3 TRP 24 -1.350 -6.401 3.878 219 HH2 TRP 24 HH2 TRP 24 -3.545 -6.104 4.925 220 H GLU 25 H GLU 25 1.501 -8.182 7.984 221 HA GLU 25 HA GLU 25 1.277 -8.802 5.136 222 HB2 GLU 25 HB2 GLU 25 1.155 -10.968 7.156 223 HB3 GLU 25 HB3 GLU 25 1.853 -10.885 5.568 224 HG2 GLU 25 HG2 GLU 25 3.710 -11.248 6.819 225 HG3 GLU 25 HG3 GLU 25 3.783 -9.500 6.730 226 H LYS 26 H LYS 26 -0.819 -10.186 4.679 227 HA LYS 26 HA LYS 26 -2.705 -10.350 6.932 228 HB2 LYS 26 HB2 LYS 26 -2.991 -8.383 4.844 229 HB3 LYS 26 HB3 LYS 26 -4.230 -9.578 4.621 230 HG2 LYS 26 HG2 LYS 26 -3.775 -8.363 7.375 231 HG3 LYS 26 HG3 LYS 26 -4.720 -7.539 6.139 232 HD2 LYS 26 HD2 LYS 26 -6.195 -9.517 5.916 233 HD3 LYS 26 HD3 LYS 26 -5.371 -10.252 7.298 234 HE2 LYS 26 HE2 LYS 26 -6.113 -8.564 8.801 235 HE3 LYS 26 HE3 LYS 26 -6.508 -7.461 7.481 236 HZ1 LYS 26 HZ1 LYS 26 -8.506 -8.407 8.401 237 HZ2 LYS 26 HZ2 LYS 26 -7.988 -9.959 8.090 238 HZ3 LYS 26 HZ3 LYS 26 -8.328 -8.927 6.872 239 H GLU 27 H GLU 27 -4.430 -11.803 6.539 240 HA GLU 27 HA GLU 27 -4.044 -14.091 4.864 241 HB2 GLU 27 HB2 GLU 27 -6.228 -14.740 5.678 242 HB3 GLU 27 HB3 GLU 27 -5.356 -14.016 7.003 243 HG2 GLU 27 HG2 GLU 27 -6.602 -11.784 6.069 244 HG3 GLU 27 HG3 GLU 27 -7.687 -12.963 5.391 245 H VAL 28 H VAL 28 -5.974 -14.681 3.493 246 HA VAL 28 HA VAL 28 -6.012 -12.772 1.248 247 HB VAL 28 HB VAL 28 -6.795 -15.719 1.353 248 HG11 VAL 28 HG11 VAL 28 -6.090 -15.559 -1.138 249 HG12 VAL 28 HG12 VAL 28 -7.642 -14.875 -0.702 250 HG13 VAL 28 HG13 VAL 28 -6.254 -13.801 -0.931 251 HG21 VAL 28 HG21 VAL 28 -4.462 -15.530 2.045 252 HG22 VAL 28 HG22 VAL 28 -4.514 -16.117 0.393 253 HG23 VAL 28 HG23 VAL 28 -4.122 -14.410 0.709 254 H SER 29 H SER 29 -7.641 -12.012 3.403 255 HA SER 29 HA SER 29 -10.414 -12.428 2.370 256 HB2 SER 29 HB2 SER 29 -9.907 -13.281 4.759 257 HB3 SER 29 HB3 SER 29 -9.824 -11.567 5.210 258 HG SER 29 HG SER 29 -11.971 -11.900 5.386 259 H GLU 30 H GLU 30 -11.744 -10.382 3.324 260 HA GLU 30 HA GLU 30 -10.391 -7.990 2.167 261 HB2 GLU 30 HB2 GLU 30 -12.543 -7.495 1.099 262 HB3 GLU 30 HB3 GLU 30 -11.807 -8.990 0.508 263 HG2 GLU 30 HG2 GLU 30 -13.351 -10.381 1.703 264 HG3 GLU 30 HG3 GLU 30 -14.001 -9.013 2.600 265 H PHE 31 H PHE 31 -10.926 -5.962 3.065 266 HA PHE 31 HA PHE 31 -12.794 -5.792 5.251 267 HB2 PHE 31 HB2 PHE 31 -11.035 -5.142 6.899 268 HB3 PHE 31 HB3 PHE 31 -11.031 -6.829 6.463 269 HD1 PHE 31 HD1 PHE 31 -9.200 -3.618 6.171 270 HD2 PHE 31 HD2 PHE 31 -9.167 -7.828 5.233 271 HE1 PHE 31 HE1 PHE 31 -6.819 -3.450 5.606 272 HE2 PHE 31 HE2 PHE 31 -6.728 -7.697 4.824 273 HZ PHE 31 HZ PHE 31 -5.555 -5.499 4.979 274 H ASP 32 H ASP 32 -11.698 -3.384 6.352 275 HA ASP 32 HA ASP 32 -11.232 -1.544 4.126 276 HB2 ASP 32 HB2 ASP 32 -13.523 -1.106 4.451 277 HB3 ASP 32 HB3 ASP 32 -13.439 -1.382 6.199 278 H TRP 33 H TRP 33 -10.054 0.297 4.682 279 HA TRP 33 HA TRP 33 -8.900 0.245 7.418 280 HB2 TRP 33 HB2 TRP 33 -7.445 -0.979 5.637 281 HB3 TRP 33 HB3 TRP 33 -7.141 0.601 4.977 282 HD1 TRP 33 HD1 TRP 33 -5.417 2.100 6.238 283 HE1 TRP 33 HE1 TRP 33 -3.945 1.854 8.307 284 HE3 TRP 33 HE3 TRP 33 -7.685 -1.972 8.330 285 HZ2 TRP 33 HZ2 TRP 33 -3.726 0.078 10.553 286 HZ3 TRP 33 HZ3 TRP 33 -6.933 -2.814 10.535 287 HH2 TRP 33 HH2 TRP 33 -4.917 -1.804 11.649 288 H TYR 34 H TYR 34 -8.382 2.236 8.272 289 HA TYR 34 HA TYR 34 -9.080 4.600 6.617 290 HB2 TYR 34 HB2 TYR 34 -10.403 4.088 8.752 291 HB3 TYR 34 HB3 TYR 34 -8.949 4.529 9.641 292 HD1 TYR 34 HD1 TYR 34 -7.889 6.910 8.905 293 HD2 TYR 34 HD2 TYR 34 -11.988 5.744 8.398 294 HE1 TYR 34 HE1 TYR 34 -8.481 9.265 8.434 295 HE2 TYR 34 HE2 TYR 34 -12.614 8.136 8.039 296 HH TYR 34 HH TYR 34 -10.301 10.820 8.041 297 H TYR 35 H TYR 35 -7.309 5.865 6.025 298 HA TYR 35 HA TYR 35 -4.816 5.666 7.702 299 HB2 TYR 35 HB2 TYR 35 -5.201 6.600 4.830 300 HB3 TYR 35 HB3 TYR 35 -3.714 6.733 5.752 301 HD1 TYR 35 HD1 TYR 35 -2.822 4.486 6.841 302 HD2 TYR 35 HD2 TYR 35 -5.517 4.649 3.479 303 HE1 TYR 35 HE1 TYR 35 -2.190 2.204 6.247 304 HE2 TYR 35 HE2 TYR 35 -4.846 2.379 2.831 305 HH TYR 35 HH TYR 35 -2.481 0.493 4.820 306 H ASP 36 H ASP 36 -5.008 7.269 9.294 307 HA ASP 36 HA ASP 36 -6.108 9.893 8.396 308 HB2 ASP 36 HB2 ASP 36 -7.209 8.645 10.435 309 HB3 ASP 36 HB3 ASP 36 -5.819 9.291 11.318 310 H THR 37 H THR 37 -3.294 8.601 8.203 311 HA THR 37 HA THR 37 -2.070 11.164 8.309 312 HB THR 37 HB THR 37 -0.028 9.580 9.543 313 HG1 THR 37 HG1 THR 37 -1.024 9.462 11.647 314 HG21 THR 37 HG21 THR 37 -1.749 11.941 10.374 315 HG22 THR 37 HG22 THR 37 -0.182 11.984 9.531 316 HG23 THR 37 HG23 THR 37 -0.252 11.438 11.212 317 H ASN 38 H ASN 38 0.178 10.975 7.461 318 HA ASN 38 HA ASN 38 -0.027 10.001 4.775 319 HB2 ASN 38 HB2 ASN 38 2.566 10.756 6.111 320 HB3 ASN 38 HB3 ASN 38 2.043 11.040 4.448 321 HD21 ASN 38 HD21 ASN 38 2.039 12.167 7.758 322 HD22 ASN 38 HD22 ASN 38 1.226 13.710 7.462 323 H GLU 39 H GLU 39 0.429 7.955 4.086 324 HA GLU 39 HA GLU 39 2.402 6.375 5.614 325 HB2 GLU 39 HB2 GLU 39 0.006 5.945 6.381 326 HB3 GLU 39 HB3 GLU 39 -0.285 5.189 4.817 327 HG2 GLU 39 HG2 GLU 39 1.431 3.510 5.234 328 HG3 GLU 39 HG3 GLU 39 2.022 4.379 6.652 329 H THR 40 H THR 40 3.903 5.973 4.176 330 HA THR 40 HA THR 40 3.269 5.428 1.353 331 HB THR 40 HB THR 40 5.888 5.562 2.871 332 HG1 THR 40 HG1 THR 40 6.179 7.354 1.591 333 HG21 THR 40 HG21 THR 40 5.552 4.980 -0.099 334 HG22 THR 40 HG22 THR 40 6.114 3.822 1.104 335 HG23 THR 40 HG23 THR 40 7.047 5.288 0.786 336 H CYS 41 H CYS 41 3.493 3.259 0.531 337 HA CYS 41 HA CYS 41 4.757 1.404 2.263 338 HB2 CYS 41 HB2 CYS 41 3.198 -0.381 2.139 339 HB3 CYS 41 HB3 CYS 41 2.425 0.970 2.977 340 HG CYS 41 HG CYS 41 1.253 1.881 0.773 341 H TYR 42 H TYR 42 5.678 -0.253 1.137 342 HA TYR 42 HA TYR 42 5.657 0.036 -1.837 343 HB2 TYR 42 HB2 TYR 42 7.865 0.577 -0.739 344 HB3 TYR 42 HB3 TYR 42 7.872 -1.042 -0.044 345 HD1 TYR 42 HD1 TYR 42 7.176 0.542 -3.388 346 HD2 TYR 42 HD2 TYR 42 9.046 -2.701 -1.255 347 HE1 TYR 42 HE1 TYR 42 8.198 -0.178 -5.499 348 HE2 TYR 42 HE2 TYR 42 10.254 -3.324 -3.399 349 HH TYR 42 HH TYR 42 9.413 -1.829 -6.508 350 H ILE 43 H ILE 43 4.886 -1.715 -2.863 351 HA ILE 43 HA ILE 43 4.144 -4.110 -1.315 352 HB ILE 43 HB ILE 43 3.612 -3.400 -4.195 353 HG12 ILE 43 HG12 ILE 43 2.589 -1.571 -3.019 354 HG13 ILE 43 HG13 ILE 43 1.337 -2.602 -3.628 355 HG21 ILE 43 HG21 ILE 43 2.085 -5.253 -2.320 356 HG22 ILE 43 HG22 ILE 43 1.875 -5.056 -4.085 357 HG23 ILE 43 HG23 ILE 43 3.327 -5.803 -3.434 358 HD11 ILE 43 HD11 ILE 43 2.338 -2.437 -0.753 359 HD12 ILE 43 HD12 ILE 43 0.819 -1.806 -1.365 360 HD13 ILE 43 HD13 ILE 43 1.061 -3.557 -1.292 361 H LEU 44 H LEU 44 5.539 -5.919 -1.398 362 HA LEU 44 HA LEU 44 7.601 -6.081 -3.477 363 HB2 LEU 44 HB2 LEU 44 7.075 -7.528 -0.819 364 HB3 LEU 44 HB3 LEU 44 8.472 -7.766 -1.810 365 HG LEU 44 HG LEU 44 8.888 -6.463 0.189 366 HD11 LEU 44 HD11 LEU 44 10.293 -6.176 -1.766 367 HD12 LEU 44 HD12 LEU 44 10.188 -4.645 -0.874 368 HD13 LEU 44 HD13 LEU 44 9.211 -4.911 -2.361 369 HD21 LEU 44 HD21 LEU 44 6.824 -5.436 0.556 370 HD22 LEU 44 HD22 LEU 44 7.252 -4.210 -0.694 371 HD23 LEU 44 HD23 LEU 44 8.222 -4.375 0.776 372 H GLU 45 H GLU 45 4.881 -8.023 -2.077 373 HA GLU 45 HA GLU 45 4.552 -9.438 -4.515 374 HB2 GLU 45 HB2 GLU 45 4.776 -11.685 -3.486 375 HB3 GLU 45 HB3 GLU 45 6.271 -10.859 -3.961 376 HG2 GLU 45 HG2 GLU 45 6.684 -10.357 -1.538 377 HG3 GLU 45 HG3 GLU 45 5.292 -11.345 -1.118 378 H GLY 46 H GLY 46 2.605 -10.876 -4.351 379 HA2 GLY 46 HA2 GLY 46 0.645 -11.524 -2.924 380 HA3 GLY 46 HA3 GLY 46 0.682 -9.885 -2.272 381 H LYS 47 H LYS 47 -1.613 -9.813 -3.056 382 HA LYS 47 HA LYS 47 -1.410 -8.013 -5.239 383 HB2 LYS 47 HB2 LYS 47 -2.380 -10.506 -6.090 384 HB3 LYS 47 HB3 LYS 47 -3.859 -9.628 -5.756 385 HG2 LYS 47 HG2 LYS 47 -1.614 -8.799 -7.622 386 HG3 LYS 47 HG3 LYS 47 -3.186 -9.441 -8.076 387 HD2 LYS 47 HD2 LYS 47 -2.851 -6.761 -6.744 388 HD3 LYS 47 HD3 LYS 47 -2.798 -6.989 -8.465 389 HE2 LYS 47 HE2 LYS 47 -5.228 -7.891 -6.864 390 HE3 LYS 47 HE3 LYS 47 -5.012 -6.227 -7.409 391 HZ1 LYS 47 HZ1 LYS 47 -5.586 -8.541 -9.070 392 HZ2 LYS 47 HZ2 LYS 47 -4.634 -7.375 -9.705 393 HZ3 LYS 47 HZ3 LYS 47 -6.141 -7.021 -9.176 394 H VAL 48 H VAL 48 -2.991 -6.341 -4.947 395 HA VAL 48 HA VAL 48 -5.129 -6.794 -2.962 396 HB VAL 48 HB VAL 48 -3.213 -4.428 -3.015 397 HG11 VAL 48 HG11 VAL 48 -4.362 -3.608 -1.005 398 HG12 VAL 48 HG12 VAL 48 -5.452 -3.661 -2.367 399 HG13 VAL 48 HG13 VAL 48 -5.549 -4.922 -1.117 400 HG21 VAL 48 HG21 VAL 48 -3.588 -6.576 -0.892 401 HG22 VAL 48 HG22 VAL 48 -2.158 -6.370 -1.931 402 HG23 VAL 48 HG23 VAL 48 -2.555 -5.127 -0.756 403 H GLU 49 H GLU 49 -6.966 -5.494 -3.401 404 HA GLU 49 HA GLU 49 -6.901 -3.527 -5.661 405 HB2 GLU 49 HB2 GLU 49 -8.869 -5.740 -5.141 406 HB3 GLU 49 HB3 GLU 49 -9.554 -4.117 -5.361 407 HG2 GLU 49 HG2 GLU 49 -8.224 -3.838 -7.430 408 HG3 GLU 49 HG3 GLU 49 -7.677 -5.523 -7.287 409 H VAL 50 H VAL 50 -7.562 -1.533 -4.788 410 HA VAL 50 HA VAL 50 -8.823 -1.450 -2.079 411 HB VAL 50 HB VAL 50 -7.029 0.568 -3.498 412 HG11 VAL 50 HG11 VAL 50 -7.909 0.646 -0.602 413 HG12 VAL 50 HG12 VAL 50 -6.977 1.847 -1.496 414 HG13 VAL 50 HG13 VAL 50 -8.674 1.595 -1.899 415 HG21 VAL 50 HG21 VAL 50 -5.647 -1.307 -2.827 416 HG22 VAL 50 HG22 VAL 50 -5.366 0.027 -1.705 417 HG23 VAL 50 HG23 VAL 50 -6.395 -1.336 -1.212 418 H THR 51 H THR 51 -10.994 -1.390 -2.541 419 HA THR 51 HA THR 51 -12.027 0.224 -4.794 420 HB THR 51 HB THR 51 -13.422 -1.436 -2.694 421 HG1 THR 51 HG1 THR 51 -14.003 -2.440 -4.917 422 HG21 THR 51 HG21 THR 51 -15.463 -1.094 -4.064 423 HG22 THR 51 HG22 THR 51 -14.555 -0.046 -5.181 424 HG23 THR 51 HG23 THR 51 -14.861 0.462 -3.505 425 H THR 52 H THR 52 -11.854 2.385 -4.364 426 HA THR 52 HA THR 52 -12.100 3.336 -1.595 427 HB THR 52 HB THR 52 -11.370 5.475 -2.382 428 HG1 THR 52 HG1 THR 52 -12.284 5.967 -4.264 429 HG21 THR 52 HG21 THR 52 -9.269 4.979 -3.479 430 HG22 THR 52 HG22 THR 52 -9.842 3.350 -3.885 431 HG23 THR 52 HG23 THR 52 -9.622 3.825 -2.195 432 H GLU 53 H GLU 53 -13.617 5.446 -1.340 433 HA GLU 53 HA GLU 53 -16.196 4.296 -1.474 434 HB2 GLU 53 HB2 GLU 53 -16.996 6.555 -0.863 435 HB3 GLU 53 HB3 GLU 53 -15.852 5.802 0.245 436 HG2 GLU 53 HG2 GLU 53 -14.086 7.243 -0.456 437 HG3 GLU 53 HG3 GLU 53 -15.023 7.857 -1.817 438 H ASP 54 H ASP 54 -14.482 6.468 -3.605 439 HA ASP 54 HA ASP 54 -16.494 7.376 -5.310 440 HB2 ASP 54 HB2 ASP 54 -13.733 6.727 -6.355 441 HB3 ASP 54 HB3 ASP 54 -14.746 8.121 -6.711 442 H GLY 55 H GLY 55 -15.255 4.188 -4.955 443 HA2 GLY 55 HA2 GLY 55 -15.916 2.259 -6.010 444 HA3 GLY 55 HA3 GLY 55 -16.720 3.208 -7.287 445 H LYS 56 H LYS 56 -13.692 4.470 -7.095 446 HA LYS 56 HA LYS 56 -12.470 3.071 -9.323 447 HB2 LYS 56 HB2 LYS 56 -11.314 4.829 -7.109 448 HB3 LYS 56 HB3 LYS 56 -10.405 4.251 -8.499 449 HG2 LYS 56 HG2 LYS 56 -12.857 5.659 -9.330 450 HG3 LYS 56 HG3 LYS 56 -11.852 6.659 -8.278 451 HD2 LYS 56 HD2 LYS 56 -9.910 6.312 -9.761 452 HD3 LYS 56 HD3 LYS 56 -10.869 5.230 -10.780 453 HE2 LYS 56 HE2 LYS 56 -10.854 7.322 -11.908 454 HE3 LYS 56 HE3 LYS 56 -12.467 7.136 -11.193 455 HZ1 LYS 56 HZ1 LYS 56 -11.882 9.275 -10.694 456 HZ2 LYS 56 HZ2 LYS 56 -10.311 8.963 -10.397 457 HZ3 LYS 56 HZ3 LYS 56 -11.507 8.566 -9.306 458 H LYS 57 H LYS 57 -10.976 1.288 -9.166 459 HA LYS 57 HA LYS 57 -10.665 0.073 -6.504 460 HB2 LYS 57 HB2 LYS 57 -10.829 -2.005 -7.666 461 HB3 LYS 57 HB3 LYS 57 -12.326 -1.060 -7.701 462 HG2 LYS 57 HG2 LYS 57 -11.165 -0.361 -10.123 463 HG3 LYS 57 HG3 LYS 57 -10.580 -2.001 -9.957 464 HD2 LYS 57 HD2 LYS 57 -13.484 -1.119 -9.681 465 HD3 LYS 57 HD3 LYS 57 -12.754 -1.657 -11.205 466 HE2 LYS 57 HE2 LYS 57 -13.006 -3.321 -8.657 467 HE3 LYS 57 HE3 LYS 57 -14.040 -3.466 -10.081 468 HZ1 LYS 57 HZ1 LYS 57 -12.352 -5.126 -10.062 469 HZ2 LYS 57 HZ2 LYS 57 -11.140 -4.095 -9.945 470 HZ3 LYS 57 HZ3 LYS 57 -12.041 -4.125 -11.347 471 H TYR 58 H TYR 58 -8.718 0.791 -6.130 472 HA TYR 58 HA TYR 58 -6.630 0.667 -8.239 473 HB2 TYR 58 HB2 TYR 58 -6.526 1.744 -5.398 474 HB3 TYR 58 HB3 TYR 58 -5.243 1.835 -6.592 475 HD1 TYR 58 HD1 TYR 58 -5.437 3.435 -8.523 476 HD2 TYR 58 HD2 TYR 58 -8.455 3.174 -5.472 477 HE1 TYR 58 HE1 TYR 58 -6.159 5.728 -9.063 478 HE2 TYR 58 HE2 TYR 58 -9.218 5.488 -6.024 479 HH TYR 58 HH TYR 58 -7.551 7.489 -8.461 480 H VAL 59 H VAL 59 -6.543 -1.292 -8.535 481 HA VAL 59 HA VAL 59 -5.150 -3.109 -6.815 482 HB VAL 59 HB VAL 59 -6.262 -4.053 -8.544 483 HG11 VAL 59 HG11 VAL 59 -6.899 -2.345 -9.904 484 HG12 VAL 59 HG12 VAL 59 -5.213 -1.975 -10.415 485 HG13 VAL 59 HG13 VAL 59 -6.033 -3.469 -10.949 486 HG21 VAL 59 HG21 VAL 59 -3.821 -4.829 -8.387 487 HG22 VAL 59 HG22 VAL 59 -4.597 -5.147 -9.967 488 HG23 VAL 59 HG23 VAL 59 -3.480 -3.796 -9.768 489 H ILE 60 H ILE 60 -3.106 -3.429 -6.652 490 HA ILE 60 HA ILE 60 -1.024 -1.763 -7.799 491 HB ILE 60 HB ILE 60 -0.103 -1.822 -5.292 492 HG12 ILE 60 HG12 ILE 60 -3.115 -1.643 -4.776 493 HG13 ILE 60 HG13 ILE 60 -2.088 -2.956 -4.303 494 HG21 ILE 60 HG21 ILE 60 -0.629 0.454 -5.014 495 HG22 ILE 60 HG22 ILE 60 -0.502 0.173 -6.747 496 HG23 ILE 60 HG23 ILE 60 -2.111 0.327 -6.017 497 HD11 ILE 60 HD11 ILE 60 -2.063 -0.126 -3.208 498 HD12 ILE 60 HD12 ILE 60 -2.442 -1.629 -2.356 499 HD13 ILE 60 HD13 ILE 60 -0.774 -1.300 -2.875 500 H GLU 61 H GLU 61 0.772 -3.069 -8.075 501 HA GLU 61 HA GLU 61 0.475 -5.930 -7.334 502 HB2 GLU 61 HB2 GLU 61 2.111 -4.853 -9.638 503 HB3 GLU 61 HB3 GLU 61 1.666 -6.515 -9.274 504 HG2 GLU 61 HG2 GLU 61 0.220 -6.101 -10.966 505 HG3 GLU 61 HG3 GLU 61 -0.811 -5.688 -9.604 506 H LYS 62 H LYS 62 2.803 -6.855 -7.641 507 HA LYS 62 HA LYS 62 4.255 -6.269 -5.332 508 HB2 LYS 62 HB2 LYS 62 5.608 -8.182 -6.114 509 HB3 LYS 62 HB3 LYS 62 3.875 -8.445 -6.266 510 HG2 LYS 62 HG2 LYS 62 4.099 -7.898 -8.722 511 HG3 LYS 62 HG3 LYS 62 5.856 -7.825 -8.476 512 HD2 LYS 62 HD2 LYS 62 6.033 -10.120 -8.073 513 HD3 LYS 62 HD3 LYS 62 4.375 -10.284 -7.485 514 HE2 LYS 62 HE2 LYS 62 3.510 -9.923 -9.760 515 HE3 LYS 62 HE3 LYS 62 5.170 -9.759 -10.380 516 HZ1 LYS 62 HZ1 LYS 62 4.241 -11.974 -10.715 517 HZ2 LYS 62 HZ2 LYS 62 4.085 -12.194 -9.105 518 HZ3 LYS 62 HZ3 LYS 62 5.595 -12.019 -9.780 519 H GLY 63 H GLY 63 4.419 -3.902 -6.582 520 HA2 GLY 63 HA2 GLY 63 7.026 -3.201 -5.969 521 HA3 GLY 63 HA3 GLY 63 7.007 -3.269 -7.718 522 H ASP 64 H ASP 64 3.893 -2.284 -6.314 523 HA ASP 64 HA ASP 64 4.331 0.408 -7.383 524 HB2 ASP 64 HB2 ASP 64 1.991 -0.936 -6.011 525 HB3 ASP 64 HB3 ASP 64 2.008 0.763 -6.411 526 H LEU 65 H LEU 65 4.952 2.184 -6.140 527 HA LEU 65 HA LEU 65 5.056 1.922 -3.201 528 HB2 LEU 65 HB2 LEU 65 7.185 2.502 -4.407 529 HB3 LEU 65 HB3 LEU 65 6.360 3.889 -5.146 530 HG LEU 65 HG LEU 65 5.853 4.714 -2.744 531 HD11 LEU 65 HD11 LEU 65 7.711 2.391 -2.117 532 HD12 LEU 65 HD12 LEU 65 6.166 2.804 -1.368 533 HD13 LEU 65 HD13 LEU 65 7.600 3.790 -1.058 534 HD21 LEU 65 HD21 LEU 65 8.087 5.592 -2.522 535 HD22 LEU 65 HD22 LEU 65 7.571 5.556 -4.238 536 HD23 LEU 65 HD23 LEU 65 8.718 4.343 -3.615 537 H VAL 66 H VAL 66 3.008 2.263 -2.853 538 HA VAL 66 HA VAL 66 1.737 4.650 -3.527 539 HB VAL 66 HB VAL 66 0.185 3.567 -1.608 540 HG11 VAL 66 HG11 VAL 66 -1.499 3.173 -3.436 541 HG12 VAL 66 HG12 VAL 66 -1.000 4.816 -2.970 542 HG13 VAL 66 HG13 VAL 66 -0.264 4.049 -4.392 543 HG21 VAL 66 HG21 VAL 66 -0.408 1.433 -2.159 544 HG22 VAL 66 HG22 VAL 66 0.822 1.426 -3.469 545 HG23 VAL 66 HG23 VAL 66 1.349 1.555 -1.767 546 H THR 67 H THR 67 1.040 6.250 -2.388 547 HA THR 67 HA THR 67 1.783 6.493 0.439 548 HB THR 67 HB THR 67 1.958 8.799 -1.549 549 HG1 THR 67 HG1 THR 67 3.868 6.945 -0.676 550 HG21 THR 67 HG21 THR 67 3.154 9.909 0.322 551 HG22 THR 67 HG22 THR 67 2.872 8.475 1.352 552 HG23 THR 67 HG23 THR 67 1.501 9.453 0.789 553 H PHE 68 H PHE 68 -0.024 6.776 1.544 554 HA PHE 68 HA PHE 68 -2.485 7.655 0.139 555 HB2 PHE 68 HB2 PHE 68 -2.072 6.347 2.846 556 HB3 PHE 68 HB3 PHE 68 -3.629 6.874 2.222 557 HD1 PHE 68 HD1 PHE 68 -3.983 6.056 -0.387 558 HD2 PHE 68 HD2 PHE 68 -1.750 4.019 2.642 559 HE1 PHE 68 HE1 PHE 68 -4.245 3.932 -1.667 560 HE2 PHE 68 HE2 PHE 68 -1.946 1.891 1.366 561 HZ PHE 68 HZ PHE 68 -3.205 1.848 -0.798 562 HA PRO 69 HA PRO 69 -1.860 11.563 2.153 563 HB2 PRO 69 HB2 PRO 69 -4.275 12.704 1.899 564 HB3 PRO 69 HB3 PRO 69 -3.411 12.172 0.439 565 HG2 PRO 69 HG2 PRO 69 -5.519 10.632 2.013 566 HG3 PRO 69 HG3 PRO 69 -5.543 11.089 0.292 567 HD2 PRO 69 HD2 PRO 69 -4.563 8.666 1.160 568 HD3 PRO 69 HD3 PRO 69 -3.827 9.510 -0.236 569 H LYS 70 H LYS 70 -3.259 12.948 3.795 570 HA LYS 70 HA LYS 70 -3.523 11.234 6.230 571 HB2 LYS 70 HB2 LYS 70 -1.979 13.089 6.420 572 HB3 LYS 70 HB3 LYS 70 -3.193 14.251 5.890 573 HG2 LYS 70 HG2 LYS 70 -4.474 13.978 7.920 574 HG3 LYS 70 HG3 LYS 70 -3.564 12.523 8.360 575 HD2 LYS 70 HD2 LYS 70 -1.527 13.787 8.675 576 HD3 LYS 70 HD3 LYS 70 -2.353 15.265 8.227 577 HE2 LYS 70 HE2 LYS 70 -3.181 13.465 10.556 578 HE3 LYS 70 HE3 LYS 70 -2.068 14.815 10.742 579 HZ1 LYS 70 HZ1 LYS 70 -3.831 16.303 10.082 580 HZ2 LYS 70 HZ2 LYS 70 -4.282 15.374 11.356 581 HZ3 LYS 70 HZ3 LYS 70 -4.890 15.020 9.909 582 H GLY 71 H GLY 71 -5.529 10.270 5.863 583 HA2 GLY 71 HA2 GLY 71 -7.792 10.559 6.720 584 HA3 GLY 71 HA3 GLY 71 -7.906 12.082 5.832 585 H LEU 72 H LEU 72 -7.902 8.561 5.559 586 HA LEU 72 HA LEU 72 -9.385 8.773 3.019 587 HB2 LEU 72 HB2 LEU 72 -6.875 8.503 2.536 588 HB3 LEU 72 HB3 LEU 72 -6.940 6.928 3.328 589 HG LEU 72 HG LEU 72 -8.966 7.503 1.178 590 HD11 LEU 72 HD11 LEU 72 -6.806 8.354 0.241 591 HD12 LEU 72 HD12 LEU 72 -7.366 6.901 -0.592 592 HD13 LEU 72 HD13 LEU 72 -6.048 6.767 0.606 593 HD21 LEU 72 HD21 LEU 72 -9.018 5.285 2.175 594 HD22 LEU 72 HD22 LEU 72 -8.627 5.263 0.441 595 HD23 LEU 72 HD23 LEU 72 -7.341 5.029 1.680 596 H ARG 73 H ARG 73 -11.083 7.227 3.085 597 HA ARG 73 HA ARG 73 -10.911 5.041 5.128 598 HB2 ARG 73 HB2 ARG 73 -12.205 7.025 5.861 599 HB3 ARG 73 HB3 ARG 73 -13.245 6.841 4.456 600 HG2 ARG 73 HG2 ARG 73 -14.065 4.704 5.223 601 HG3 ARG 73 HG3 ARG 73 -12.893 4.643 6.543 602 HD2 ARG 73 HD2 ARG 73 -14.028 6.434 7.713 603 HD3 ARG 73 HD3 ARG 73 -15.006 6.827 6.304 604 HE ARG 73 HE ARG 73 -15.273 4.433 8.071 605 HH11 ARG 73 HH11 ARG 73 -16.654 6.350 5.391 606 HH12 ARG 73 HH12 ARG 73 -18.104 5.391 5.369 607 HH21 ARG 73 HH21 ARG 73 -17.045 3.182 7.908 608 HH22 ARG 73 HH22 ARG 73 -18.256 3.472 6.660 609 H CYS 74 H CYS 74 -10.406 3.479 3.534 610 HA CYS 74 HA CYS 74 -12.513 2.935 1.488 611 HB2 CYS 74 HB2 CYS 74 -9.636 3.396 0.839 612 HB3 CYS 74 HB3 CYS 74 -10.792 2.695 -0.261 613 HG CYS 74 HG CYS 74 -10.878 5.632 1.295 614 H ARG 75 H ARG 75 -12.383 0.939 0.454 615 HA ARG 75 HA ARG 75 -11.932 -1.093 2.432 616 HB2 ARG 75 HB2 ARG 75 -13.216 -0.938 -0.253 617 HB3 ARG 75 HB3 ARG 75 -12.659 -2.488 0.296 618 HG2 ARG 75 HG2 ARG 75 -14.851 -2.468 1.024 619 HG3 ARG 75 HG3 ARG 75 -13.868 -2.239 2.451 620 HD2 ARG 75 HD2 ARG 75 -15.709 -0.635 2.572 621 HD3 ARG 75 HD3 ARG 75 -14.245 0.266 2.215 622 HE ARG 75 HE ARG 75 -15.081 0.834 0.149 623 HH11 ARG 75 HH11 ARG 75 -17.180 -1.677 1.557 624 HH12 ARG 75 HH12 ARG 75 -18.399 -1.485 0.340 625 HH21 ARG 75 HH21 ARG 75 -16.726 0.953 -1.543 626 HH22 ARG 75 HH22 ARG 75 -17.804 -0.376 -1.698 627 H TRP 76 H TRP 76 -10.662 -3.000 2.133 628 HA TRP 76 HA TRP 76 -8.325 -2.755 0.351 629 HB2 TRP 76 HB2 TRP 76 -8.292 -2.673 3.317 630 HB3 TRP 76 HB3 TRP 76 -7.271 -3.917 2.622 631 HD1 TRP 76 HD1 TRP 76 -7.863 -0.141 1.974 632 HE1 TRP 76 HE1 TRP 76 -5.716 0.923 1.193 633 HE3 TRP 76 HE3 TRP 76 -4.844 -4.249 2.232 634 HZ2 TRP 76 HZ2 TRP 76 -3.033 -0.003 0.411 635 HZ3 TRP 76 HZ3 TRP 76 -2.507 -4.154 1.418 636 HH2 TRP 76 HH2 TRP 76 -1.605 -2.037 0.449 637 H LYS 77 H LYS 77 -8.552 -4.496 -0.960 638 HA LYS 77 HA LYS 77 -9.764 -6.973 0.157 639 HB2 LYS 77 HB2 LYS 77 -10.985 -5.823 -1.685 640 HB3 LYS 77 HB3 LYS 77 -9.570 -6.012 -2.737 641 HG2 LYS 77 HG2 LYS 77 -9.724 -8.488 -2.434 642 HG3 LYS 77 HG3 LYS 77 -11.123 -8.248 -1.387 643 HD2 LYS 77 HD2 LYS 77 -12.201 -7.017 -3.418 644 HD3 LYS 77 HD3 LYS 77 -10.890 -7.749 -4.358 645 HE2 LYS 77 HE2 LYS 77 -12.436 -9.450 -4.521 646 HE3 LYS 77 HE3 LYS 77 -11.667 -9.949 -3.024 647 HZ1 LYS 77 HZ1 LYS 77 -13.912 -10.025 -2.622 648 HZ2 LYS 77 HZ2 LYS 77 -14.255 -8.613 -3.398 649 HZ3 LYS 77 HZ3 LYS 77 -13.541 -8.631 -1.894 650 H VAL 78 H VAL 78 -8.141 -8.426 0.735 651 HA VAL 78 HA VAL 78 -5.574 -8.316 -0.688 652 HB VAL 78 HB VAL 78 -6.286 -10.246 1.534 653 HG11 VAL 78 HG11 VAL 78 -4.220 -10.642 0.505 654 HG12 VAL 78 HG12 VAL 78 -3.737 -8.934 0.550 655 HG13 VAL 78 HG13 VAL 78 -3.851 -9.901 2.053 656 HG21 VAL 78 HG21 VAL 78 -5.708 -7.266 1.794 657 HG22 VAL 78 HG22 VAL 78 -6.972 -8.196 2.572 658 HG23 VAL 78 HG23 VAL 78 -5.318 -8.429 3.108 659 H LEU 79 H LEU 79 -5.756 -9.304 -2.632 660 HA LEU 79 HA LEU 79 -7.565 -11.656 -2.910 661 HB2 LEU 79 HB2 LEU 79 -5.847 -10.167 -4.923 662 HB3 LEU 79 HB3 LEU 79 -6.829 -11.587 -5.273 663 HG LEU 79 HG LEU 79 -7.897 -8.872 -4.378 664 HD11 LEU 79 HD11 LEU 79 -8.768 -8.760 -6.642 665 HD12 LEU 79 HD12 LEU 79 -8.167 -10.407 -6.981 666 HD13 LEU 79 HD13 LEU 79 -7.023 -9.057 -6.705 667 HD21 LEU 79 HD21 LEU 79 -9.322 -11.510 -4.987 668 HD22 LEU 79 HD22 LEU 79 -10.132 -9.939 -4.999 669 HD23 LEU 79 HD23 LEU 79 -9.417 -10.553 -3.496 670 H GLU 80 H GLU 80 -4.187 -10.867 -2.327 671 HA GLU 80 HA GLU 80 -3.700 -13.664 -1.916 672 HB2 GLU 80 HB2 GLU 80 -2.516 -12.131 -4.248 673 HB3 GLU 80 HB3 GLU 80 -1.384 -13.079 -3.329 674 HG2 GLU 80 HG2 GLU 80 -3.861 -14.188 -4.732 675 HG3 GLU 80 HG3 GLU 80 -2.215 -14.270 -5.308 676 HA PRO 81 HA PRO 81 -2.024 -12.075 1.508 677 HB2 PRO 81 HB2 PRO 81 -0.080 -13.775 2.385 678 HB3 PRO 81 HB3 PRO 81 -1.778 -14.268 2.119 679 HG2 PRO 81 HG2 PRO 81 0.558 -14.593 0.205 680 HG3 PRO 81 HG3 PRO 81 -0.620 -15.841 0.723 681 HD2 PRO 81 HD2 PRO 81 -0.892 -14.456 -1.577 682 HD3 PRO 81 HD3 PRO 81 -2.319 -14.931 -0.607 683 H VAL 82 H VAL 82 -1.327 -10.064 0.799 684 HA VAL 82 HA VAL 82 1.259 -9.589 -0.289 685 HB VAL 82 HB VAL 82 -0.718 -8.224 -0.815 686 HG11 VAL 82 HG11 VAL 82 -1.775 -8.209 1.443 687 HG12 VAL 82 HG12 VAL 82 -0.503 -7.114 2.005 688 HG13 VAL 82 HG13 VAL 82 -1.609 -6.580 0.740 689 HG21 VAL 82 HG21 VAL 82 0.234 -6.002 -0.726 690 HG22 VAL 82 HG22 VAL 82 1.351 -6.469 0.581 691 HG23 VAL 82 HG23 VAL 82 1.524 -7.165 -1.034 692 H ARG 83 H ARG 83 3.180 -8.977 0.640 693 HA ARG 83 HA ARG 83 3.155 -8.563 3.619 694 HB2 ARG 83 HB2 ARG 83 4.351 -10.588 2.107 695 HB3 ARG 83 HB3 ARG 83 5.651 -9.443 2.326 696 HG2 ARG 83 HG2 ARG 83 5.199 -9.386 4.778 697 HG3 ARG 83 HG3 ARG 83 4.005 -10.689 4.532 698 HD2 ARG 83 HD2 ARG 83 5.685 -12.197 3.720 699 HD3 ARG 83 HD3 ARG 83 6.846 -10.899 3.524 700 HE ARG 83 HE ARG 83 5.808 -11.465 6.261 701 HH11 ARG 83 HH11 ARG 83 8.366 -12.321 3.983 702 HH12 ARG 83 HH12 ARG 83 9.568 -12.588 5.209 703 HH21 ARG 83 HH21 ARG 83 7.352 -11.798 7.899 704 HH22 ARG 83 HH22 ARG 83 8.939 -12.319 7.518 705 H LYS 84 H LYS 84 2.644 -6.237 2.742 706 HA LYS 84 HA LYS 84 4.873 -4.920 1.285 707 HB2 LYS 84 HB2 LYS 84 3.532 -3.198 0.908 708 HB3 LYS 84 HB3 LYS 84 2.292 -4.380 1.162 709 HG2 LYS 84 HG2 LYS 84 3.300 -2.345 3.192 710 HG3 LYS 84 HG3 LYS 84 1.877 -2.150 2.184 711 HD2 LYS 84 HD2 LYS 84 2.103 -4.522 4.042 712 HD3 LYS 84 HD3 LYS 84 1.665 -2.919 4.611 713 HE2 LYS 84 HE2 LYS 84 0.193 -3.567 2.145 714 HE3 LYS 84 HE3 LYS 84 -0.018 -4.862 3.318 715 HZ1 LYS 84 HZ1 LYS 84 -0.704 -2.014 3.649 716 HZ2 LYS 84 HZ2 LYS 84 -0.689 -3.054 4.923 717 HZ3 LYS 84 HZ3 LYS 84 -1.730 -3.286 3.661 718 H HIS 85 H HIS 85 5.817 -2.996 2.070 719 HA HIS 85 HA HIS 85 6.659 -3.083 4.962 720 HB2 HIS 85 HB2 HIS 85 8.122 -2.406 2.417 721 HB3 HIS 85 HB3 HIS 85 8.454 -1.391 3.788 722 HD1 HIS 85 HD1 HIS 85 9.545 -4.654 2.420 723 HD2 HIS 85 HD2 HIS 85 9.173 -2.773 6.185 724 HE1 HIS 85 HE1 HIS 85 10.935 -5.999 4.085 725 H TYR 86 H TYR 86 5.741 -1.270 6.088 726 HA TYR 86 HA TYR 86 4.573 0.928 4.436 727 HB2 TYR 86 HB2 TYR 86 2.776 1.170 5.949 728 HB3 TYR 86 HB3 TYR 86 2.785 -0.506 5.415 729 HD1 TYR 86 HD1 TYR 86 4.052 -2.214 7.085 730 HD2 TYR 86 HD2 TYR 86 2.506 1.661 8.220 731 HE1 TYR 86 HE1 TYR 86 4.001 -2.910 9.451 732 HE2 TYR 86 HE2 TYR 86 2.442 0.956 10.573 733 HH TYR 86 HH TYR 86 2.802 -0.844 12.104 734 H ASN 87 H ASN 87 4.582 3.068 5.603 735 HA ASN 87 HA ASN 87 6.155 3.144 8.070 736 HB2 ASN 87 HB2 ASN 87 7.863 3.252 6.231 737 HB3 ASN 87 HB3 ASN 87 7.081 4.730 5.630 738 HD21 ASN 87 HD21 ASN 87 9.155 5.918 6.067 739 HD22 ASN 87 HD22 ASN 87 9.511 6.340 7.729 740 H LEU 88 H LEU 88 5.313 4.672 9.370 741 HA LEU 88 HA LEU 88 3.121 6.436 8.451 742 HB2 LEU 88 HB2 LEU 88 4.272 5.981 11.244 743 HB3 LEU 88 HB3 LEU 88 2.739 6.727 10.857 744 HG LEU 88 HG LEU 88 3.328 3.771 10.283 745 HD11 LEU 88 HD11 LEU 88 3.594 4.186 12.690 746 HD12 LEU 88 HD12 LEU 88 2.071 3.305 12.371 747 HD13 LEU 88 HD13 LEU 88 2.049 5.036 12.744 748 HD21 LEU 88 HD21 LEU 88 1.446 4.808 9.050 749 HD22 LEU 88 HD22 LEU 88 0.706 5.289 10.580 750 HD23 LEU 88 HD23 LEU 88 0.900 3.568 10.184 751 H PHE 89 H PHE 89 3.404 8.819 8.496 752 HA PHE 89 HA PHE 89 5.538 10.037 9.908 753 HB2 PHE 89 HB2 PHE 89 6.810 10.881 7.909 754 HB3 PHE 89 HB3 PHE 89 7.000 9.167 8.200 755 HD1 PHE 89 HD1 PHE 89 5.329 11.656 5.993 756 HD2 PHE 89 HD2 PHE 89 6.317 7.512 6.626 757 HE1 PHE 89 HE1 PHE 89 4.423 11.088 3.736 758 HE2 PHE 89 HE2 PHE 89 5.495 6.977 4.398 759 HZ PHE 89 HZ PHE 89 4.470 8.771 2.954 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -5.168 14.822 -2.465 2 HA MET 1 HA MET 1 -5.974 12.622 -2.075 3 HB2 MET 1 HB2 MET 1 -7.345 14.460 -1.202 4 HB3 MET 1 HB3 MET 1 -8.307 14.492 -2.680 5 HG2 MET 1 HG2 MET 1 -8.118 11.859 -1.272 6 HG3 MET 1 HG3 MET 1 -8.928 13.142 -0.400 7 HE1 MET 1 HE1 MET 1 -11.282 12.173 -0.130 8 HE2 MET 1 HE2 MET 1 -11.539 13.814 -0.789 9 HE3 MET 1 HE3 MET 1 -12.463 12.445 -1.426 10 H GLU 2 H GLU 2 -5.173 11.350 -3.882 11 HA GLU 2 HA GLU 2 -7.298 10.351 -5.649 12 HB2 GLU 2 HB2 GLU 2 -5.869 10.757 -7.570 13 HB3 GLU 2 HB3 GLU 2 -6.562 12.253 -6.928 14 HG2 GLU 2 HG2 GLU 2 -4.363 12.759 -5.891 15 HG3 GLU 2 HG3 GLU 2 -3.749 11.207 -6.442 16 H VAL 3 H VAL 3 -5.165 9.692 -3.775 17 HA VAL 3 HA VAL 3 -3.461 8.287 -3.071 18 HB VAL 3 HB VAL 3 -5.174 6.500 -4.815 19 HG11 VAL 3 HG11 VAL 3 -3.185 5.682 -2.587 20 HG12 VAL 3 HG12 VAL 3 -4.310 4.590 -3.434 21 HG13 VAL 3 HG13 VAL 3 -2.998 5.349 -4.318 22 HG21 VAL 3 HG21 VAL 3 -6.443 7.539 -3.020 23 HG22 VAL 3 HG22 VAL 3 -6.201 5.846 -2.634 24 HG23 VAL 3 HG23 VAL 3 -5.218 7.080 -1.814 25 H LYS 4 H LYS 4 -1.374 8.558 -3.588 26 HA LYS 4 HA LYS 4 -0.519 8.713 -6.372 27 HB2 LYS 4 HB2 LYS 4 0.586 9.657 -3.938 28 HB3 LYS 4 HB3 LYS 4 1.607 8.286 -4.324 29 HG2 LYS 4 HG2 LYS 4 2.765 9.684 -5.679 30 HG3 LYS 4 HG3 LYS 4 1.430 9.558 -6.807 31 HD2 LYS 4 HD2 LYS 4 0.383 11.500 -5.330 32 HD3 LYS 4 HD3 LYS 4 2.047 11.727 -4.782 33 HE2 LYS 4 HE2 LYS 4 2.732 12.026 -7.177 34 HE3 LYS 4 HE3 LYS 4 1.043 11.839 -7.661 35 HZ1 LYS 4 HZ1 LYS 4 2.115 13.946 -5.909 36 HZ2 LYS 4 HZ2 LYS 4 0.498 13.777 -6.329 37 HZ3 LYS 4 HZ3 LYS 4 1.657 14.161 -7.438 38 H ILE 5 H ILE 5 0.332 7.017 -7.596 39 HA ILE 5 HA ILE 5 1.301 4.618 -6.290 40 HB ILE 5 HB ILE 5 -0.863 4.492 -8.445 41 HG12 ILE 5 HG12 ILE 5 -0.952 3.663 -5.508 42 HG13 ILE 5 HG13 ILE 5 -1.817 5.017 -6.254 43 HG21 ILE 5 HG21 ILE 5 0.876 2.723 -8.697 44 HG22 ILE 5 HG22 ILE 5 0.649 2.275 -6.997 45 HG23 ILE 5 HG23 ILE 5 -0.646 2.022 -8.191 46 HD11 ILE 5 HD11 ILE 5 -3.011 3.369 -7.730 47 HD12 ILE 5 HD12 ILE 5 -2.368 2.091 -6.667 48 HD13 ILE 5 HD13 ILE 5 -3.370 3.388 -5.986 49 H GLU 6 H GLU 6 3.120 3.982 -7.463 50 HA GLU 6 HA GLU 6 3.254 4.390 -10.282 51 HB2 GLU 6 HB2 GLU 6 5.432 5.718 -10.180 52 HB3 GLU 6 HB3 GLU 6 3.916 6.579 -9.907 53 HG2 GLU 6 HG2 GLU 6 4.357 6.465 -7.419 54 HG3 GLU 6 HG3 GLU 6 5.937 5.749 -7.784 55 H LYS 7 H LYS 7 5.580 3.713 -11.026 56 HA LYS 7 HA LYS 7 6.477 1.432 -9.324 57 HB2 LYS 7 HB2 LYS 7 6.446 1.694 -12.336 58 HB3 LYS 7 HB3 LYS 7 7.299 0.424 -11.443 59 HG2 LYS 7 HG2 LYS 7 5.361 -0.702 -11.854 60 HG3 LYS 7 HG3 LYS 7 4.900 0.059 -10.349 61 HD2 LYS 7 HD2 LYS 7 3.143 0.863 -11.447 62 HD3 LYS 7 HD3 LYS 7 4.170 2.008 -12.233 63 HE2 LYS 7 HE2 LYS 7 3.700 -0.799 -13.352 64 HE3 LYS 7 HE3 LYS 7 2.591 0.536 -13.645 65 HZ1 LYS 7 HZ1 LYS 7 4.038 0.549 -15.459 66 HZ2 LYS 7 HZ2 LYS 7 5.399 0.409 -14.530 67 HZ3 LYS 7 HZ3 LYS 7 4.548 1.794 -14.526 68 HA PRO 8 HA PRO 8 9.827 4.562 -9.450 69 HB2 PRO 8 HB2 PRO 8 10.830 4.132 -6.906 70 HB3 PRO 8 HB3 PRO 8 9.402 5.147 -7.265 71 HG2 PRO 8 HG2 PRO 8 9.445 2.267 -6.310 72 HG3 PRO 8 HG3 PRO 8 8.465 3.640 -5.758 73 HD2 PRO 8 HD2 PRO 8 7.564 1.765 -7.530 74 HD3 PRO 8 HD3 PRO 8 7.030 3.476 -7.580 75 H THR 9 H THR 9 12.204 4.400 -8.991 76 HA THR 9 HA THR 9 13.347 2.084 -10.242 77 HB THR 9 HB THR 9 14.308 4.159 -10.790 78 HG1 THR 9 HG1 THR 9 16.397 3.880 -10.266 79 HG21 THR 9 HG21 THR 9 13.608 5.546 -8.914 80 HG22 THR 9 HG22 THR 9 15.366 5.644 -9.095 81 HG23 THR 9 HG23 THR 9 14.664 4.629 -7.819 82 HA PRO 10 HA PRO 10 14.330 -0.230 -6.517 83 HB2 PRO 10 HB2 PRO 10 16.711 -1.432 -7.245 84 HB3 PRO 10 HB3 PRO 10 15.086 -1.956 -7.776 85 HG2 PRO 10 HG2 PRO 10 17.048 -0.188 -9.260 86 HG3 PRO 10 HG3 PRO 10 16.134 -1.608 -9.884 87 HD2 PRO 10 HD2 PRO 10 15.252 0.891 -10.318 88 HD3 PRO 10 HD3 PRO 10 14.097 -0.397 -9.901 89 H GLU 11 H GLU 11 16.761 1.980 -7.919 90 HA GLU 11 HA GLU 11 18.679 1.767 -5.860 91 HB2 GLU 11 HB2 GLU 11 18.036 3.990 -7.831 92 HB3 GLU 11 HB3 GLU 11 19.365 4.108 -6.669 93 HG2 GLU 11 HG2 GLU 11 20.367 2.035 -7.554 94 HG3 GLU 11 HG3 GLU 11 19.044 1.881 -8.720 95 H LYS 12 H LYS 12 16.200 4.239 -6.343 96 HA LYS 12 HA LYS 12 16.602 5.777 -4.052 97 HB2 LYS 12 HB2 LYS 12 15.118 6.083 -6.151 98 HB3 LYS 12 HB3 LYS 12 13.865 5.215 -5.282 99 HG2 LYS 12 HG2 LYS 12 13.288 7.093 -4.155 100 HG3 LYS 12 HG3 LYS 12 14.944 7.352 -3.595 101 HD2 LYS 12 HD2 LYS 12 15.526 8.435 -5.745 102 HD3 LYS 12 HD3 LYS 12 13.930 8.067 -6.392 103 HE2 LYS 12 HE2 LYS 12 13.812 10.323 -5.806 104 HE3 LYS 12 HE3 LYS 12 12.944 9.469 -4.511 105 HZ1 LYS 12 HZ1 LYS 12 15.766 10.369 -4.313 106 HZ2 LYS 12 HZ2 LYS 12 14.855 9.711 -3.120 107 HZ3 LYS 12 HZ3 LYS 12 14.449 11.175 -3.722 108 H LEU 13 H LEU 13 14.478 2.968 -4.529 109 HA LEU 13 HA LEU 13 13.350 2.826 -1.935 110 HB2 LEU 13 HB2 LEU 13 14.020 0.655 -3.946 111 HB3 LEU 13 HB3 LEU 13 13.066 0.402 -2.508 112 HG LEU 13 HG LEU 13 12.300 2.422 -4.674 113 HD11 LEU 13 HD11 LEU 13 10.734 0.625 -5.466 114 HD12 LEU 13 HD12 LEU 13 11.564 -0.515 -4.379 115 HD13 LEU 13 HD13 LEU 13 12.424 0.251 -5.725 116 HD21 LEU 13 HD21 LEU 13 10.043 2.210 -3.738 117 HD22 LEU 13 HD22 LEU 13 11.172 2.775 -2.504 118 HD23 LEU 13 HD23 LEU 13 10.635 1.084 -2.494 119 H LYS 14 H LYS 14 16.462 1.375 -3.164 120 HA LYS 14 HA LYS 14 17.028 0.060 -0.705 121 HB2 LYS 14 HB2 LYS 14 18.498 0.696 -3.182 122 HB3 LYS 14 HB3 LYS 14 19.495 0.699 -1.727 123 HG2 LYS 14 HG2 LYS 14 19.611 -1.502 -2.471 124 HG3 LYS 14 HG3 LYS 14 18.473 -1.538 -1.125 125 HD2 LYS 14 HD2 LYS 14 16.597 -1.811 -2.560 126 HD3 LYS 14 HD3 LYS 14 17.539 -1.367 -3.992 127 HE2 LYS 14 HE2 LYS 14 17.125 -3.782 -3.951 128 HE3 LYS 14 HE3 LYS 14 18.844 -3.392 -3.893 129 HZ1 LYS 14 HZ1 LYS 14 18.813 -3.860 -1.513 130 HZ2 LYS 14 HZ2 LYS 14 18.292 -5.155 -2.364 131 HZ3 LYS 14 HZ3 LYS 14 17.213 -4.229 -1.559 132 H GLU 15 H GLU 15 17.729 3.392 -1.835 133 HA GLU 15 HA GLU 15 19.361 4.116 0.429 134 HB2 GLU 15 HB2 GLU 15 17.566 6.105 -1.016 135 HB3 GLU 15 HB3 GLU 15 19.027 6.401 -0.089 136 HG2 GLU 15 HG2 GLU 15 20.056 4.776 -1.997 137 HG3 GLU 15 HG3 GLU 15 18.668 5.460 -2.878 138 H LEU 16 H LEU 16 15.902 4.488 -0.219 139 HA LEU 16 HA LEU 16 15.028 5.702 2.134 140 HB2 LEU 16 HB2 LEU 16 13.642 3.735 0.267 141 HB3 LEU 16 HB3 LEU 16 12.820 4.564 1.561 142 HG LEU 16 HG LEU 16 14.101 5.927 -0.830 143 HD11 LEU 16 HD11 LEU 16 11.806 6.421 -1.492 144 HD12 LEU 16 HD12 LEU 16 11.179 5.580 -0.057 145 HD13 LEU 16 HD13 LEU 16 12.022 4.670 -1.324 146 HD21 LEU 16 HD21 LEU 16 12.919 7.948 -0.017 147 HD22 LEU 16 HD22 LEU 16 14.291 7.453 0.976 148 HD23 LEU 16 HD23 LEU 16 12.621 7.117 1.524 149 H SER 17 H SER 17 16.306 2.575 1.888 150 HA SER 17 HA SER 17 16.754 0.976 3.427 151 HB2 SER 17 HB2 SER 17 16.026 3.152 5.404 152 HB3 SER 17 HB3 SER 17 16.972 1.713 5.756 153 HG SER 17 HG SER 17 17.628 3.642 3.738 154 H VAL 18 H VAL 18 14.277 0.763 2.280 155 HA VAL 18 HA VAL 18 12.074 0.350 3.940 156 HB VAL 18 HB VAL 18 12.770 -1.021 1.329 157 HG11 VAL 18 HG11 VAL 18 10.815 -1.992 2.403 158 HG12 VAL 18 HG12 VAL 18 10.082 -0.380 2.574 159 HG13 VAL 18 HG13 VAL 18 10.344 -1.086 0.957 160 HG21 VAL 18 HG21 VAL 18 11.372 1.648 1.835 161 HG22 VAL 18 HG22 VAL 18 12.967 1.463 1.106 162 HG23 VAL 18 HG23 VAL 18 11.552 0.860 0.248 163 H GLU 19 H GLU 19 14.881 -1.758 3.456 164 HA GLU 19 HA GLU 19 13.733 -4.122 4.607 165 HB2 GLU 19 HB2 GLU 19 16.130 -4.660 5.209 166 HB3 GLU 19 HB3 GLU 19 15.846 -4.361 3.495 167 HG2 GLU 19 HG2 GLU 19 16.731 -2.169 3.581 168 HG3 GLU 19 HG3 GLU 19 16.778 -2.137 5.327 169 H LYS 20 H LYS 20 14.533 -1.081 6.097 170 HA LYS 20 HA LYS 20 14.537 -2.264 8.829 171 HB2 LYS 20 HB2 LYS 20 15.037 0.638 8.064 172 HB3 LYS 20 HB3 LYS 20 15.377 -0.177 9.587 173 HG2 LYS 20 HG2 LYS 20 16.921 -1.679 7.911 174 HG3 LYS 20 HG3 LYS 20 16.931 -0.126 7.068 175 HD2 LYS 20 HD2 LYS 20 17.790 -0.701 9.941 176 HD3 LYS 20 HD3 LYS 20 18.843 -0.372 8.569 177 HE2 LYS 20 HE2 LYS 20 17.785 1.931 8.420 178 HE3 LYS 20 HE3 LYS 20 16.919 1.586 9.936 179 HZ1 LYS 20 HZ1 LYS 20 19.018 2.803 10.285 180 HZ2 LYS 20 HZ2 LYS 20 19.870 1.599 9.567 181 HZ3 LYS 20 HZ3 LYS 20 19.082 1.330 10.992 182 H TRP 21 H TRP 21 12.192 -1.505 6.666 183 HA TRP 21 HA TRP 21 10.581 0.210 8.449 184 HB2 TRP 21 HB2 TRP 21 10.071 -0.926 5.679 185 HB3 TRP 21 HB3 TRP 21 8.946 0.039 6.577 186 HD1 TRP 21 HD1 TRP 21 12.464 1.395 6.892 187 HE1 TRP 21 HE1 TRP 21 12.756 3.419 5.494 188 HE3 TRP 21 HE3 TRP 21 8.106 1.110 4.190 189 HZ2 TRP 21 HZ2 TRP 21 11.377 4.754 3.315 190 HZ3 TRP 21 HZ3 TRP 21 7.577 2.846 2.515 191 HH2 TRP 21 HH2 TRP 21 9.207 4.707 2.073 192 HA PRO 22 HA PRO 22 8.564 -3.420 10.047 193 HB2 PRO 22 HB2 PRO 22 5.943 -2.674 10.399 194 HB3 PRO 22 HB3 PRO 22 7.307 -2.037 11.369 195 HG2 PRO 22 HG2 PRO 22 6.055 -0.732 8.945 196 HG3 PRO 22 HG3 PRO 22 6.344 -0.009 10.563 197 HD2 PRO 22 HD2 PRO 22 8.137 0.368 8.594 198 HD3 PRO 22 HD3 PRO 22 8.706 -0.025 10.230 199 H ILE 23 H ILE 23 7.922 -5.300 9.232 200 HA ILE 23 HA ILE 23 6.636 -5.545 6.624 201 HB ILE 23 HB ILE 23 7.685 -7.456 8.727 202 HG12 ILE 23 HG12 ILE 23 8.259 -7.062 5.762 203 HG13 ILE 23 HG13 ILE 23 9.262 -6.424 7.042 204 HG21 ILE 23 HG21 ILE 23 6.970 -9.431 7.511 205 HG22 ILE 23 HG22 ILE 23 5.552 -8.516 7.968 206 HG23 ILE 23 HG23 ILE 23 6.148 -8.440 6.304 207 HD11 ILE 23 HD11 ILE 23 9.737 -8.769 7.784 208 HD12 ILE 23 HD12 ILE 23 8.881 -9.348 6.331 209 HD13 ILE 23 HD13 ILE 23 10.324 -8.346 6.157 210 H TRP 24 H TRP 24 4.598 -6.299 6.233 211 HA TRP 24 HA TRP 24 2.790 -6.930 8.441 212 HB2 TRP 24 HB2 TRP 24 2.517 -4.528 8.108 213 HB3 TRP 24 HB3 TRP 24 2.229 -4.777 6.405 214 HD1 TRP 24 HD1 TRP 24 0.572 -4.733 9.737 215 HE1 TRP 24 HE1 TRP 24 -1.959 -4.792 9.441 216 HE3 TRP 24 HE3 TRP 24 0.341 -6.277 4.856 217 HZ2 TRP 24 HZ2 TRP 24 -3.835 -5.043 7.256 218 HZ3 TRP 24 HZ3 TRP 24 -1.815 -6.266 3.665 219 HH2 TRP 24 HH2 TRP 24 -3.882 -5.599 4.807 220 H GLU 25 H GLU 25 1.982 -8.853 7.862 221 HA GLU 25 HA GLU 25 1.422 -9.526 5.034 222 HB2 GLU 25 HB2 GLU 25 0.935 -11.844 6.098 223 HB3 GLU 25 HB3 GLU 25 2.571 -11.360 5.739 224 HG2 GLU 25 HG2 GLU 25 3.258 -11.335 7.868 225 HG3 GLU 25 HG3 GLU 25 1.735 -10.734 8.516 226 H LYS 26 H LYS 26 -0.799 -10.771 4.808 227 HA LYS 26 HA LYS 26 -2.636 -10.425 7.001 228 HB2 LYS 26 HB2 LYS 26 -2.638 -8.360 5.103 229 HB3 LYS 26 HB3 LYS 26 -3.980 -9.349 4.604 230 HG2 LYS 26 HG2 LYS 26 -3.516 -8.202 7.399 231 HG3 LYS 26 HG3 LYS 26 -4.625 -7.564 6.186 232 HD2 LYS 26 HD2 LYS 26 -5.960 -9.682 6.297 233 HD3 LYS 26 HD3 LYS 26 -4.896 -10.224 7.592 234 HE2 LYS 26 HE2 LYS 26 -5.430 -8.250 8.937 235 HE3 LYS 26 HE3 LYS 26 -6.550 -7.703 7.686 236 HZ1 LYS 26 HZ1 LYS 26 -6.777 -10.255 9.188 237 HZ2 LYS 26 HZ2 LYS 26 -7.898 -9.688 8.119 238 HZ3 LYS 26 HZ3 LYS 26 -7.627 -8.913 9.536 239 H GLU 27 H GLU 27 -4.730 -11.489 6.505 240 HA GLU 27 HA GLU 27 -4.528 -14.001 5.117 241 HB2 GLU 27 HB2 GLU 27 -6.245 -12.665 6.931 242 HB3 GLU 27 HB3 GLU 27 -7.140 -13.690 5.845 243 HG2 GLU 27 HG2 GLU 27 -6.545 -14.950 7.821 244 HG3 GLU 27 HG3 GLU 27 -5.682 -15.606 6.416 245 H VAL 28 H VAL 28 -6.522 -14.568 3.857 246 HA VAL 28 HA VAL 28 -6.385 -12.796 1.476 247 HB VAL 28 HB VAL 28 -7.152 -15.734 1.545 248 HG11 VAL 28 HG11 VAL 28 -7.550 -14.441 -0.578 249 HG12 VAL 28 HG12 VAL 28 -5.855 -13.947 -0.579 250 HG13 VAL 28 HG13 VAL 28 -6.289 -15.663 -0.783 251 HG21 VAL 28 HG21 VAL 28 -4.972 -15.660 2.644 252 HG22 VAL 28 HG22 VAL 28 -4.741 -16.207 0.984 253 HG23 VAL 28 HG23 VAL 28 -4.384 -14.517 1.433 254 H SER 29 H SER 29 -7.935 -11.554 2.864 255 HA SER 29 HA SER 29 -10.770 -12.392 2.503 256 HB2 SER 29 HB2 SER 29 -9.637 -12.798 4.855 257 HB3 SER 29 HB3 SER 29 -9.681 -11.033 4.988 258 HG SER 29 HG SER 29 -11.599 -11.618 5.808 259 H GLU 30 H GLU 30 -12.103 -10.257 3.394 260 HA GLU 30 HA GLU 30 -10.885 -7.836 2.190 261 HB2 GLU 30 HB2 GLU 30 -12.837 -7.229 1.055 262 HB3 GLU 30 HB3 GLU 30 -12.576 -8.920 0.680 263 HG2 GLU 30 HG2 GLU 30 -14.281 -9.554 2.426 264 HG3 GLU 30 HG3 GLU 30 -14.637 -7.831 2.609 265 H PHE 31 H PHE 31 -11.532 -5.879 3.156 266 HA PHE 31 HA PHE 31 -13.142 -5.753 5.526 267 HB2 PHE 31 HB2 PHE 31 -11.229 -5.155 7.064 268 HB3 PHE 31 HB3 PHE 31 -11.406 -6.840 6.682 269 HD1 PHE 31 HD1 PHE 31 -9.343 -3.808 5.894 270 HD2 PHE 31 HD2 PHE 31 -9.623 -8.116 5.822 271 HE1 PHE 31 HE1 PHE 31 -6.970 -3.934 5.270 272 HE2 PHE 31 HE2 PHE 31 -7.203 -8.254 5.281 273 HZ PHE 31 HZ PHE 31 -5.906 -6.173 4.913 274 H ASP 32 H ASP 32 -11.871 -3.366 6.571 275 HA ASP 32 HA ASP 32 -11.547 -1.643 4.238 276 HB2 ASP 32 HB2 ASP 32 -12.913 0.112 5.284 277 HB3 ASP 32 HB3 ASP 32 -13.831 -1.306 4.790 278 H TRP 33 H TRP 33 -10.313 0.271 4.705 279 HA TRP 33 HA TRP 33 -8.994 0.333 7.347 280 HB2 TRP 33 HB2 TRP 33 -7.717 -1.214 5.837 281 HB3 TRP 33 HB3 TRP 33 -7.453 0.113 4.732 282 HD1 TRP 33 HD1 TRP 33 -5.640 1.875 5.409 283 HE1 TRP 33 HE1 TRP 33 -3.747 1.919 7.117 284 HE3 TRP 33 HE3 TRP 33 -7.343 -1.776 8.521 285 HZ2 TRP 33 HZ2 TRP 33 -2.922 0.334 9.415 286 HZ3 TRP 33 HZ3 TRP 33 -6.110 -2.329 10.603 287 HH2 TRP 33 HH2 TRP 33 -3.889 -1.270 11.045 288 H TYR 34 H TYR 34 -7.977 2.344 7.801 289 HA TYR 34 HA TYR 34 -8.825 4.581 6.049 290 HB2 TYR 34 HB2 TYR 34 -10.231 4.163 8.151 291 HB3 TYR 34 HB3 TYR 34 -8.811 4.594 9.086 292 HD1 TYR 34 HD1 TYR 34 -7.862 6.973 8.881 293 HD2 TYR 34 HD2 TYR 34 -11.696 5.806 7.314 294 HE1 TYR 34 HE1 TYR 34 -8.488 9.360 8.661 295 HE2 TYR 34 HE2 TYR 34 -12.364 8.200 7.175 296 HH TYR 34 HH TYR 34 -11.767 10.377 7.732 297 H TYR 35 H TYR 35 -7.412 6.406 6.123 298 HA TYR 35 HA TYR 35 -4.725 5.981 7.368 299 HB2 TYR 35 HB2 TYR 35 -5.350 7.283 4.700 300 HB3 TYR 35 HB3 TYR 35 -3.772 7.198 5.474 301 HD1 TYR 35 HD1 TYR 35 -2.646 4.969 5.831 302 HD2 TYR 35 HD2 TYR 35 -6.308 5.357 3.602 303 HE1 TYR 35 HE1 TYR 35 -2.322 2.712 4.941 304 HE2 TYR 35 HE2 TYR 35 -5.946 3.102 2.607 305 HH TYR 35 HH TYR 35 -3.111 1.119 3.562 306 H ASP 36 H ASP 36 -4.948 7.232 9.151 307 HA ASP 36 HA ASP 36 -5.951 10.026 8.854 308 HB2 ASP 36 HB2 ASP 36 -7.027 8.497 10.541 309 HB3 ASP 36 HB3 ASP 36 -5.492 8.456 11.409 310 H THR 37 H THR 37 -3.182 8.644 8.281 311 HA THR 37 HA THR 37 -1.686 11.046 8.550 312 HB THR 37 HB THR 37 0.347 9.485 9.399 313 HG1 THR 37 HG1 THR 37 -0.746 7.782 10.038 314 HG21 THR 37 HG21 THR 37 -1.531 11.327 10.890 315 HG22 THR 37 HG22 THR 37 0.026 11.682 10.157 316 HG23 THR 37 HG23 THR 37 -0.046 10.683 11.625 317 H ASN 38 H ASN 38 0.586 10.542 7.432 318 HA ASN 38 HA ASN 38 -0.165 9.619 4.734 319 HB2 ASN 38 HB2 ASN 38 2.577 10.390 5.774 320 HB3 ASN 38 HB3 ASN 38 2.008 10.348 4.112 321 HD21 ASN 38 HD21 ASN 38 2.219 12.212 7.059 322 HD22 ASN 38 HD22 ASN 38 1.582 13.697 6.385 323 H GLU 39 H GLU 39 0.417 7.588 3.980 324 HA GLU 39 HA GLU 39 2.348 6.025 5.566 325 HB2 GLU 39 HB2 GLU 39 0.159 5.149 6.295 326 HB3 GLU 39 HB3 GLU 39 -0.304 4.874 4.602 327 HG2 GLU 39 HG2 GLU 39 1.673 3.336 4.341 328 HG3 GLU 39 HG3 GLU 39 2.089 3.616 6.034 329 H THR 40 H THR 40 3.892 5.360 4.241 330 HA THR 40 HA THR 40 3.392 5.162 1.310 331 HB THR 40 HB THR 40 5.977 5.533 2.915 332 HG1 THR 40 HG1 THR 40 5.984 7.479 1.558 333 HG21 THR 40 HG21 THR 40 7.144 5.647 0.752 334 HG22 THR 40 HG22 THR 40 5.641 5.285 -0.121 335 HG23 THR 40 HG23 THR 40 6.380 4.061 0.933 336 H CYS 41 H CYS 41 3.503 3.036 0.516 337 HA CYS 41 HA CYS 41 5.002 1.114 2.165 338 HB2 CYS 41 HB2 CYS 41 3.324 -0.657 1.770 339 HB3 CYS 41 HB3 CYS 41 2.705 0.605 2.847 340 HG CYS 41 HG CYS 41 2.375 0.868 -0.402 341 H TYR 42 H TYR 42 5.915 -0.529 1.042 342 HA TYR 42 HA TYR 42 5.897 -0.387 -1.926 343 HB2 TYR 42 HB2 TYR 42 8.072 0.297 -0.839 344 HB3 TYR 42 HB3 TYR 42 8.141 -1.285 -0.058 345 HD1 TYR 42 HD1 TYR 42 7.692 0.238 -3.472 346 HD2 TYR 42 HD2 TYR 42 9.344 -3.019 -1.175 347 HE1 TYR 42 HE1 TYR 42 8.657 -0.704 -5.547 348 HE2 TYR 42 HE2 TYR 42 10.454 -3.851 -3.240 349 HH TYR 42 HH TYR 42 9.842 -2.518 -6.465 350 H ILE 43 H ILE 43 5.165 -2.286 -2.796 351 HA ILE 43 HA ILE 43 4.106 -4.436 -1.076 352 HB ILE 43 HB ILE 43 3.634 -3.786 -4.013 353 HG12 ILE 43 HG12 ILE 43 2.940 -1.773 -2.997 354 HG13 ILE 43 HG13 ILE 43 1.506 -2.672 -3.451 355 HG21 ILE 43 HG21 ILE 43 1.895 -5.341 -2.056 356 HG22 ILE 43 HG22 ILE 43 1.602 -5.061 -3.791 357 HG23 ILE 43 HG23 ILE 43 2.963 -6.054 -3.279 358 HD11 ILE 43 HD11 ILE 43 1.136 -1.657 -1.307 359 HD12 ILE 43 HD12 ILE 43 1.339 -3.392 -0.994 360 HD13 ILE 43 HD13 ILE 43 2.659 -2.232 -0.678 361 H LEU 44 H LEU 44 5.480 -6.354 -1.018 362 HA LEU 44 HA LEU 44 7.323 -6.650 -3.251 363 HB2 LEU 44 HB2 LEU 44 6.993 -7.904 -0.466 364 HB3 LEU 44 HB3 LEU 44 8.286 -8.327 -1.579 365 HG LEU 44 HG LEU 44 9.024 -6.816 0.101 366 HD11 LEU 44 HD11 LEU 44 8.894 -5.351 -2.555 367 HD12 LEU 44 HD12 LEU 44 9.958 -6.726 -2.273 368 HD13 LEU 44 HD13 LEU 44 10.200 -5.222 -1.354 369 HD21 LEU 44 HD21 LEU 44 8.529 -4.623 0.527 370 HD22 LEU 44 HD22 LEU 44 7.036 -5.573 0.619 371 HD23 LEU 44 HD23 LEU 44 7.380 -4.553 -0.814 372 H GLU 45 H GLU 45 4.483 -8.351 -1.931 373 HA GLU 45 HA GLU 45 4.340 -9.961 -4.271 374 HB2 GLU 45 HB2 GLU 45 4.433 -12.169 -3.094 375 HB3 GLU 45 HB3 GLU 45 5.966 -11.361 -3.340 376 HG2 GLU 45 HG2 GLU 45 5.792 -10.529 -0.897 377 HG3 GLU 45 HG3 GLU 45 4.449 -11.660 -0.729 378 H GLY 46 H GLY 46 2.313 -11.156 -4.287 379 HA2 GLY 46 HA2 GLY 46 0.132 -11.633 -3.589 380 HA3 GLY 46 HA3 GLY 46 0.312 -10.594 -2.191 381 H LYS 47 H LYS 47 -2.003 -10.111 -3.213 382 HA LYS 47 HA LYS 47 -1.767 -7.883 -5.161 383 HB2 LYS 47 HB2 LYS 47 -2.633 -10.405 -5.960 384 HB3 LYS 47 HB3 LYS 47 -4.136 -9.585 -5.577 385 HG2 LYS 47 HG2 LYS 47 -1.983 -8.743 -7.544 386 HG3 LYS 47 HG3 LYS 47 -3.611 -9.317 -7.898 387 HD2 LYS 47 HD2 LYS 47 -2.994 -6.640 -6.638 388 HD3 LYS 47 HD3 LYS 47 -3.241 -6.917 -8.338 389 HE2 LYS 47 HE2 LYS 47 -5.364 -7.642 -6.287 390 HE3 LYS 47 HE3 LYS 47 -5.233 -6.016 -6.992 391 HZ1 LYS 47 HZ1 LYS 47 -6.823 -7.426 -8.201 392 HZ2 LYS 47 HZ2 LYS 47 -5.627 -8.442 -8.656 393 HZ3 LYS 47 HZ3 LYS 47 -5.654 -6.883 -9.153 394 H VAL 48 H VAL 48 -3.126 -6.268 -4.747 395 HA VAL 48 HA VAL 48 -5.358 -6.650 -2.819 396 HB VAL 48 HB VAL 48 -3.147 -4.544 -2.728 397 HG11 VAL 48 HG11 VAL 48 -4.402 -3.597 -0.723 398 HG12 VAL 48 HG12 VAL 48 -5.096 -3.268 -2.308 399 HG13 VAL 48 HG13 VAL 48 -5.825 -4.494 -1.274 400 HG21 VAL 48 HG21 VAL 48 -2.855 -5.339 -0.416 401 HG22 VAL 48 HG22 VAL 48 -4.091 -6.588 -0.675 402 HG23 VAL 48 HG23 VAL 48 -2.574 -6.627 -1.592 403 H GLU 49 H GLU 49 -7.119 -5.321 -3.230 404 HA GLU 49 HA GLU 49 -6.967 -3.226 -5.371 405 HB2 GLU 49 HB2 GLU 49 -9.040 -5.327 -4.864 406 HB3 GLU 49 HB3 GLU 49 -9.650 -3.675 -4.841 407 HG2 GLU 49 HG2 GLU 49 -8.574 -3.244 -7.060 408 HG3 GLU 49 HG3 GLU 49 -8.151 -4.985 -7.135 409 H VAL 50 H VAL 50 -6.752 -1.369 -4.015 410 HA VAL 50 HA VAL 50 -8.209 -1.224 -1.442 411 HB VAL 50 HB VAL 50 -6.341 0.790 -2.788 412 HG11 VAL 50 HG11 VAL 50 -7.561 0.666 -0.016 413 HG12 VAL 50 HG12 VAL 50 -6.315 1.828 -0.516 414 HG13 VAL 50 HG13 VAL 50 -7.907 1.866 -1.278 415 HG21 VAL 50 HG21 VAL 50 -5.772 -1.303 -0.656 416 HG22 VAL 50 HG22 VAL 50 -4.936 -1.041 -2.208 417 HG23 VAL 50 HG23 VAL 50 -4.746 0.127 -0.915 418 H THR 51 H THR 51 -10.289 -0.358 -1.588 419 HA THR 51 HA THR 51 -10.958 1.071 -4.153 420 HB THR 51 HB THR 51 -12.655 -0.957 -2.719 421 HG1 THR 51 HG1 THR 51 -11.528 -2.291 -3.872 422 HG21 THR 51 HG21 THR 51 -12.987 0.499 -5.397 423 HG22 THR 51 HG22 THR 51 -13.964 0.797 -3.940 424 HG23 THR 51 HG23 THR 51 -14.052 -0.765 -4.761 425 H THR 52 H THR 52 -11.309 3.168 -3.680 426 HA THR 52 HA THR 52 -11.932 3.980 -0.941 427 HB THR 52 HB THR 52 -11.662 6.216 -1.737 428 HG1 THR 52 HG1 THR 52 -11.308 6.584 -4.010 429 HG21 THR 52 HG21 THR 52 -9.412 6.196 -2.657 430 HG22 THR 52 HG22 THR 52 -9.547 4.464 -3.029 431 HG23 THR 52 HG23 THR 52 -9.588 5.016 -1.352 432 H GLU 53 H GLU 53 -13.873 5.758 -0.825 433 HA GLU 53 HA GLU 53 -16.210 4.153 -1.530 434 HB2 GLU 53 HB2 GLU 53 -17.411 5.839 -0.227 435 HB3 GLU 53 HB3 GLU 53 -16.167 4.944 0.654 436 HG2 GLU 53 HG2 GLU 53 -14.653 6.873 0.546 437 HG3 GLU 53 HG3 GLU 53 -15.835 7.769 -0.435 438 H ASP 54 H ASP 54 -14.482 6.742 -3.007 439 HA ASP 54 HA ASP 54 -16.645 7.682 -4.729 440 HB2 ASP 54 HB2 ASP 54 -14.336 8.763 -4.444 441 HB3 ASP 54 HB3 ASP 54 -13.713 7.482 -5.498 442 H GLY 55 H GLY 55 -15.181 4.607 -4.393 443 HA2 GLY 55 HA2 GLY 55 -15.871 2.665 -5.499 444 HA3 GLY 55 HA3 GLY 55 -16.460 3.620 -6.863 445 H LYS 56 H LYS 56 -13.608 5.017 -6.333 446 HA LYS 56 HA LYS 56 -12.274 3.913 -8.589 447 HB2 LYS 56 HB2 LYS 56 -11.272 5.602 -6.262 448 HB3 LYS 56 HB3 LYS 56 -10.298 5.228 -7.679 449 HG2 LYS 56 HG2 LYS 56 -12.969 6.672 -7.838 450 HG3 LYS 56 HG3 LYS 56 -11.420 7.500 -7.595 451 HD2 LYS 56 HD2 LYS 56 -10.610 6.344 -9.743 452 HD3 LYS 56 HD3 LYS 56 -12.315 5.899 -10.021 453 HE2 LYS 56 HE2 LYS 56 -12.927 8.326 -9.749 454 HE3 LYS 56 HE3 LYS 56 -11.212 8.701 -9.581 455 HZ1 LYS 56 HZ1 LYS 56 -11.093 7.495 -11.885 456 HZ2 LYS 56 HZ2 LYS 56 -11.586 9.085 -11.781 457 HZ3 LYS 56 HZ3 LYS 56 -12.695 7.888 -11.932 458 H LYS 57 H LYS 57 -11.123 2.123 -8.733 459 HA LYS 57 HA LYS 57 -10.316 0.652 -6.337 460 HB2 LYS 57 HB2 LYS 57 -10.099 -1.228 -7.860 461 HB3 LYS 57 HB3 LYS 57 -11.741 -0.649 -7.576 462 HG2 LYS 57 HG2 LYS 57 -10.145 0.177 -9.979 463 HG3 LYS 57 HG3 LYS 57 -11.018 -1.352 -9.958 464 HD2 LYS 57 HD2 LYS 57 -12.771 0.817 -9.097 465 HD3 LYS 57 HD3 LYS 57 -12.018 1.223 -10.643 466 HE2 LYS 57 HE2 LYS 57 -12.855 -0.867 -11.622 467 HE3 LYS 57 HE3 LYS 57 -13.522 -1.363 -10.050 468 HZ1 LYS 57 HZ1 LYS 57 -15.210 -0.353 -11.495 469 HZ2 LYS 57 HZ2 LYS 57 -14.348 1.039 -11.564 470 HZ3 LYS 57 HZ3 LYS 57 -14.986 0.531 -10.128 471 H TYR 58 H TYR 58 -8.307 0.557 -5.800 472 HA TYR 58 HA TYR 58 -6.146 1.191 -7.715 473 HB2 TYR 58 HB2 TYR 58 -6.359 1.823 -4.722 474 HB3 TYR 58 HB3 TYR 58 -5.010 2.182 -5.744 475 HD1 TYR 58 HD1 TYR 58 -5.173 4.060 -7.432 476 HD2 TYR 58 HD2 TYR 58 -8.351 3.181 -4.672 477 HE1 TYR 58 HE1 TYR 58 -6.088 6.309 -7.813 478 HE2 TYR 58 HE2 TYR 58 -9.322 5.439 -5.078 479 HH TYR 58 HH TYR 58 -7.816 7.750 -7.373 480 H VAL 59 H VAL 59 -5.976 -0.688 -8.244 481 HA VAL 59 HA VAL 59 -5.083 -2.849 -6.519 482 HB VAL 59 HB VAL 59 -6.445 -3.526 -8.159 483 HG11 VAL 59 HG11 VAL 59 -5.083 -1.704 -10.106 484 HG12 VAL 59 HG12 VAL 59 -6.155 -3.057 -10.589 485 HG13 VAL 59 HG13 VAL 59 -6.791 -1.799 -9.543 486 HG21 VAL 59 HG21 VAL 59 -4.136 -4.717 -8.049 487 HG22 VAL 59 HG22 VAL 59 -5.017 -4.995 -9.561 488 HG23 VAL 59 HG23 VAL 59 -3.691 -3.830 -9.496 489 H ILE 60 H ILE 60 -3.043 -3.560 -6.557 490 HA ILE 60 HA ILE 60 -0.852 -1.978 -7.660 491 HB ILE 60 HB ILE 60 0.130 -1.993 -5.282 492 HG12 ILE 60 HG12 ILE 60 -2.813 -2.311 -4.486 493 HG13 ILE 60 HG13 ILE 60 -1.482 -3.413 -4.108 494 HG21 ILE 60 HG21 ILE 60 -0.757 -0.016 -6.639 495 HG22 ILE 60 HG22 ILE 60 -2.215 -0.106 -5.631 496 HG23 ILE 60 HG23 ILE 60 -0.613 0.179 -4.902 497 HD11 ILE 60 HD11 ILE 60 -0.430 -1.459 -2.845 498 HD12 ILE 60 HD12 ILE 60 -1.993 -0.640 -3.014 499 HD13 ILE 60 HD13 ILE 60 -1.902 -2.184 -2.146 500 H GLU 61 H GLU 61 0.652 -3.345 -8.322 501 HA GLU 61 HA GLU 61 0.570 -6.173 -7.406 502 HB2 GLU 61 HB2 GLU 61 2.023 -6.704 -9.241 503 HB3 GLU 61 HB3 GLU 61 0.651 -5.833 -9.872 504 HG2 GLU 61 HG2 GLU 61 1.895 -3.876 -10.298 505 HG3 GLU 61 HG3 GLU 61 3.233 -4.341 -9.240 506 H LYS 62 H LYS 62 2.860 -7.007 -7.344 507 HA LYS 62 HA LYS 62 4.334 -6.075 -5.147 508 HB2 LYS 62 HB2 LYS 62 5.744 -8.010 -5.773 509 HB3 LYS 62 HB3 LYS 62 4.015 -8.379 -5.789 510 HG2 LYS 62 HG2 LYS 62 4.156 -7.965 -8.370 511 HG3 LYS 62 HG3 LYS 62 5.898 -8.007 -8.156 512 HD2 LYS 62 HD2 LYS 62 5.318 -10.247 -6.767 513 HD3 LYS 62 HD3 LYS 62 3.870 -10.182 -7.770 514 HE2 LYS 62 HE2 LYS 62 5.440 -11.565 -8.882 515 HE3 LYS 62 HE3 LYS 62 5.373 -10.054 -9.805 516 HZ1 LYS 62 HZ1 LYS 62 7.403 -9.369 -8.670 517 HZ2 LYS 62 HZ2 LYS 62 7.650 -10.780 -9.446 518 HZ3 LYS 62 HZ3 LYS 62 7.458 -10.760 -7.799 519 H GLY 63 H GLY 63 4.494 -3.919 -6.281 520 HA2 GLY 63 HA2 GLY 63 7.123 -3.089 -6.370 521 HA3 GLY 63 HA3 GLY 63 6.735 -3.348 -8.076 522 H ASP 64 H ASP 64 3.772 -2.459 -7.042 523 HA ASP 64 HA ASP 64 3.977 0.305 -7.966 524 HB2 ASP 64 HB2 ASP 64 1.825 -1.433 -6.738 525 HB3 ASP 64 HB3 ASP 64 1.582 0.292 -6.928 526 H LEU 65 H LEU 65 5.056 1.760 -6.547 527 HA LEU 65 HA LEU 65 4.912 1.389 -3.625 528 HB2 LEU 65 HB2 LEU 65 7.011 2.147 -4.665 529 HB3 LEU 65 HB3 LEU 65 6.153 3.503 -5.381 530 HG LEU 65 HG LEU 65 5.534 4.134 -2.875 531 HD11 LEU 65 HD11 LEU 65 7.156 3.453 -1.230 532 HD12 LEU 65 HD12 LEU 65 8.096 2.525 -2.420 533 HD13 LEU 65 HD13 LEU 65 6.486 1.986 -1.942 534 HD21 LEU 65 HD21 LEU 65 7.406 5.562 -2.755 535 HD22 LEU 65 HD22 LEU 65 7.018 5.354 -4.471 536 HD23 LEU 65 HD23 LEU 65 8.406 4.498 -3.766 537 H VAL 66 H VAL 66 3.583 2.729 -2.334 538 HA VAL 66 HA VAL 66 1.654 4.495 -3.770 539 HB VAL 66 HB VAL 66 1.089 2.619 -1.433 540 HG11 VAL 66 HG11 VAL 66 -1.314 2.948 -2.034 541 HG12 VAL 66 HG12 VAL 66 -0.558 4.431 -1.478 542 HG13 VAL 66 HG13 VAL 66 -0.829 4.172 -3.216 543 HG21 VAL 66 HG21 VAL 66 0.510 2.155 -4.360 544 HG22 VAL 66 HG22 VAL 66 1.539 1.176 -3.296 545 HG23 VAL 66 HG23 VAL 66 -0.195 1.224 -3.004 546 H THR 67 H THR 67 0.709 6.153 -2.472 547 HA THR 67 HA THR 67 1.736 6.471 0.227 548 HB THR 67 HB THR 67 1.944 8.754 -1.735 549 HG1 THR 67 HG1 THR 67 3.665 6.812 -0.986 550 HG21 THR 67 HG21 THR 67 1.366 9.472 0.636 551 HG22 THR 67 HG22 THR 67 3.033 9.933 0.211 552 HG23 THR 67 HG23 THR 67 2.717 8.516 1.240 553 H PHE 68 H PHE 68 -0.105 6.406 1.293 554 HA PHE 68 HA PHE 68 -2.632 7.500 0.231 555 HB2 PHE 68 HB2 PHE 68 -2.000 6.212 2.918 556 HB3 PHE 68 HB3 PHE 68 -3.596 6.600 2.295 557 HD1 PHE 68 HD1 PHE 68 -4.336 5.422 0.059 558 HD2 PHE 68 HD2 PHE 68 -1.073 4.072 2.540 559 HE1 PHE 68 HE1 PHE 68 -4.454 3.162 -0.988 560 HE2 PHE 68 HE2 PHE 68 -1.194 1.834 1.469 561 HZ PHE 68 HZ PHE 68 -2.886 1.390 -0.293 562 HA PRO 69 HA PRO 69 -1.673 11.239 2.532 563 HB2 PRO 69 HB2 PRO 69 -3.931 12.648 2.337 564 HB3 PRO 69 HB3 PRO 69 -3.150 12.079 0.828 565 HG2 PRO 69 HG2 PRO 69 -5.398 10.705 2.370 566 HG3 PRO 69 HG3 PRO 69 -5.387 11.227 0.668 567 HD2 PRO 69 HD2 PRO 69 -4.652 8.667 1.460 568 HD3 PRO 69 HD3 PRO 69 -3.875 9.476 0.059 569 H LYS 70 H LYS 70 -2.843 12.677 4.180 570 HA LYS 70 HA LYS 70 -3.520 11.082 6.598 571 HB2 LYS 70 HB2 LYS 70 -1.665 12.700 6.680 572 HB3 LYS 70 HB3 LYS 70 -2.740 14.016 6.230 573 HG2 LYS 70 HG2 LYS 70 -3.911 13.878 8.376 574 HG3 LYS 70 HG3 LYS 70 -3.071 12.403 8.806 575 HD2 LYS 70 HD2 LYS 70 -0.864 13.640 8.608 576 HD3 LYS 70 HD3 LYS 70 -1.802 15.132 8.425 577 HE2 LYS 70 HE2 LYS 70 -2.857 14.715 10.640 578 HE3 LYS 70 HE3 LYS 70 -1.954 13.217 10.796 579 HZ1 LYS 70 HZ1 LYS 70 0.092 14.468 10.813 580 HZ2 LYS 70 HZ2 LYS 70 -0.937 15.064 11.969 581 HZ3 LYS 70 HZ3 LYS 70 -0.737 15.888 10.591 582 H GLY 71 H GLY 71 -5.576 10.468 5.820 583 HA2 GLY 71 HA2 GLY 71 -7.790 11.103 6.714 584 HA3 GLY 71 HA3 GLY 71 -7.686 12.566 5.737 585 H LEU 72 H LEU 72 -7.767 8.973 5.482 586 HA LEU 72 HA LEU 72 -9.473 9.156 3.070 587 HB2 LEU 72 HB2 LEU 72 -7.258 9.137 2.136 588 HB3 LEU 72 HB3 LEU 72 -6.880 7.634 2.975 589 HG LEU 72 HG LEU 72 -9.423 7.582 1.309 590 HD11 LEU 72 HD11 LEU 72 -6.656 7.565 0.058 591 HD12 LEU 72 HD12 LEU 72 -7.882 8.870 -0.143 592 HD13 LEU 72 HD13 LEU 72 -8.210 7.237 -0.754 593 HD21 LEU 72 HD21 LEU 72 -7.110 5.671 1.563 594 HD22 LEU 72 HD22 LEU 72 -8.607 5.479 0.625 595 HD23 LEU 72 HD23 LEU 72 -8.694 5.606 2.392 596 H ARG 73 H ARG 73 -11.219 8.049 3.658 597 HA ARG 73 HA ARG 73 -10.960 5.410 4.985 598 HB2 ARG 73 HB2 ARG 73 -12.937 6.756 5.592 599 HB3 ARG 73 HB3 ARG 73 -13.330 7.012 3.907 600 HG2 ARG 73 HG2 ARG 73 -14.838 5.439 4.954 601 HG3 ARG 73 HG3 ARG 73 -13.974 4.711 3.616 602 HD2 ARG 73 HD2 ARG 73 -13.640 2.965 4.994 603 HD3 ARG 73 HD3 ARG 73 -12.363 3.925 5.719 604 HE ARG 73 HE ARG 73 -13.567 3.850 7.660 605 HH11 ARG 73 HH11 ARG 73 -16.006 3.508 5.044 606 HH12 ARG 73 HH12 ARG 73 -17.180 2.860 6.119 607 HH21 ARG 73 HH21 ARG 73 -15.273 3.513 9.050 608 HH22 ARG 73 HH22 ARG 73 -16.720 2.763 8.423 609 H CYS 74 H CYS 74 -10.722 3.519 3.764 610 HA CYS 74 HA CYS 74 -12.213 3.356 1.236 611 HB2 CYS 74 HB2 CYS 74 -10.248 2.452 0.040 612 HB3 CYS 74 HB3 CYS 74 -9.991 4.077 0.597 613 HG CYS 74 HG CYS 74 -8.974 2.981 3.061 614 H ARG 75 H ARG 75 -11.818 0.988 0.332 615 HA ARG 75 HA ARG 75 -12.131 -0.988 2.528 616 HB2 ARG 75 HB2 ARG 75 -12.994 -0.933 -0.364 617 HB3 ARG 75 HB3 ARG 75 -12.675 -2.465 0.434 618 HG2 ARG 75 HG2 ARG 75 -14.977 -2.142 0.697 619 HG3 ARG 75 HG3 ARG 75 -14.194 -1.995 2.258 620 HD2 ARG 75 HD2 ARG 75 -15.914 -0.195 1.910 621 HD3 ARG 75 HD3 ARG 75 -14.294 0.443 2.104 622 HE ARG 75 HE ARG 75 -14.178 1.012 -0.198 623 HH11 ARG 75 HH11 ARG 75 -17.332 -0.464 0.548 624 HH12 ARG 75 HH12 ARG 75 -18.113 0.216 -0.823 625 HH21 ARG 75 HH21 ARG 75 -15.218 1.916 -2.051 626 HH22 ARG 75 HH22 ARG 75 -16.857 1.488 -2.379 627 H TRP 76 H TRP 76 -10.980 -3.038 2.197 628 HA TRP 76 HA TRP 76 -8.635 -2.900 0.424 629 HB2 TRP 76 HB2 TRP 76 -8.676 -3.150 3.384 630 HB3 TRP 76 HB3 TRP 76 -7.675 -4.297 2.541 631 HD1 TRP 76 HD1 TRP 76 -8.120 -0.440 2.144 632 HE1 TRP 76 HE1 TRP 76 -5.779 0.611 1.902 633 HE3 TRP 76 HE3 TRP 76 -5.238 -4.613 2.826 634 HZ2 TRP 76 HZ2 TRP 76 -3.063 -0.303 1.688 635 HZ3 TRP 76 HZ3 TRP 76 -2.777 -4.485 2.551 636 HH2 TRP 76 HH2 TRP 76 -1.703 -2.301 1.995 637 H LYS 77 H LYS 77 -8.968 -4.680 -0.977 638 HA LYS 77 HA LYS 77 -10.139 -7.172 0.206 639 HB2 LYS 77 HB2 LYS 77 -10.995 -5.928 -2.077 640 HB3 LYS 77 HB3 LYS 77 -9.779 -6.989 -2.760 641 HG2 LYS 77 HG2 LYS 77 -12.287 -7.698 -1.206 642 HG3 LYS 77 HG3 LYS 77 -11.953 -8.025 -2.870 643 HD2 LYS 77 HD2 LYS 77 -10.179 -9.682 -2.181 644 HD3 LYS 77 HD3 LYS 77 -10.555 -9.346 -0.510 645 HE2 LYS 77 HE2 LYS 77 -11.687 -11.363 -1.069 646 HE3 LYS 77 HE3 LYS 77 -12.906 -10.122 -0.845 647 HZ1 LYS 77 HZ1 LYS 77 -13.369 -11.486 -2.711 648 HZ2 LYS 77 HZ2 LYS 77 -11.962 -11.205 -3.414 649 HZ3 LYS 77 HZ3 LYS 77 -13.081 -9.962 -3.284 650 H VAL 78 H VAL 78 -8.467 -8.529 0.842 651 HA VAL 78 HA VAL 78 -5.809 -8.268 -0.439 652 HB VAL 78 HB VAL 78 -6.610 -10.283 1.668 653 HG11 VAL 78 HG11 VAL 78 -3.963 -9.083 0.761 654 HG12 VAL 78 HG12 VAL 78 -4.143 -10.145 2.178 655 HG13 VAL 78 HG13 VAL 78 -4.556 -10.751 0.577 656 HG21 VAL 78 HG21 VAL 78 -5.361 -7.576 2.343 657 HG22 VAL 78 HG22 VAL 78 -7.084 -7.977 2.634 658 HG23 VAL 78 HG23 VAL 78 -5.819 -8.870 3.448 659 H LEU 79 H LEU 79 -6.200 -8.955 -2.452 660 HA LEU 79 HA LEU 79 -8.012 -11.186 -3.001 661 HB2 LEU 79 HB2 LEU 79 -6.139 -9.532 -4.731 662 HB3 LEU 79 HB3 LEU 79 -7.185 -10.821 -5.362 663 HG LEU 79 HG LEU 79 -8.268 -8.436 -3.786 664 HD11 LEU 79 HD11 LEU 79 -7.226 -7.429 -5.613 665 HD12 LEU 79 HD12 LEU 79 -8.938 -7.504 -6.000 666 HD13 LEU 79 HD13 LEU 79 -7.829 -8.684 -6.744 667 HD21 LEU 79 HD21 LEU 79 -9.696 -10.570 -4.139 668 HD22 LEU 79 HD22 LEU 79 -9.723 -10.145 -5.840 669 HD23 LEU 79 HD23 LEU 79 -10.406 -9.031 -4.616 670 H GLU 80 H GLU 80 -4.534 -10.626 -2.510 671 HA GLU 80 HA GLU 80 -4.268 -13.492 -2.139 672 HB2 GLU 80 HB2 GLU 80 -2.335 -11.966 -3.975 673 HB3 GLU 80 HB3 GLU 80 -2.136 -13.630 -3.467 674 HG2 GLU 80 HG2 GLU 80 -4.235 -14.234 -4.625 675 HG3 GLU 80 HG3 GLU 80 -4.409 -12.553 -5.172 676 HA PRO 81 HA PRO 81 -2.586 -12.127 1.488 677 HB2 PRO 81 HB2 PRO 81 -0.599 -13.934 2.166 678 HB3 PRO 81 HB3 PRO 81 -2.348 -14.249 2.251 679 HG2 PRO 81 HG2 PRO 81 -0.399 -14.982 0.063 680 HG3 PRO 81 HG3 PRO 81 -1.722 -15.968 0.755 681 HD2 PRO 81 HD2 PRO 81 -1.922 -14.656 -1.603 682 HD3 PRO 81 HD3 PRO 81 -3.340 -14.861 -0.534 683 H VAL 82 H VAL 82 -1.785 -10.153 1.077 684 HA VAL 82 HA VAL 82 0.639 -9.790 -0.397 685 HB VAL 82 HB VAL 82 -1.450 -8.404 -0.517 686 HG11 VAL 82 HG11 VAL 82 -1.874 -6.645 1.117 687 HG12 VAL 82 HG12 VAL 82 -1.870 -8.203 1.946 688 HG13 VAL 82 HG13 VAL 82 -0.460 -7.129 2.063 689 HG21 VAL 82 HG21 VAL 82 1.072 -6.795 0.057 690 HG22 VAL 82 HG22 VAL 82 0.660 -7.600 -1.475 691 HG23 VAL 82 HG23 VAL 82 -0.344 -6.286 -0.905 692 H ARG 83 H ARG 83 2.607 -8.984 0.253 693 HA ARG 83 HA ARG 83 2.976 -8.473 3.152 694 HB2 ARG 83 HB2 ARG 83 4.066 -10.701 1.816 695 HB3 ARG 83 HB3 ARG 83 5.397 -9.553 1.877 696 HG2 ARG 83 HG2 ARG 83 5.313 -9.472 4.299 697 HG3 ARG 83 HG3 ARG 83 3.709 -10.190 4.331 698 HD2 ARG 83 HD2 ARG 83 4.552 -12.295 3.531 699 HD3 ARG 83 HD3 ARG 83 6.154 -11.633 3.287 700 HE ARG 83 HE ARG 83 6.479 -11.512 5.649 701 HH11 ARG 83 HH11 ARG 83 3.507 -13.328 4.766 702 HH12 ARG 83 HH12 ARG 83 3.515 -14.222 6.256 703 HH21 ARG 83 HH21 ARG 83 6.479 -12.819 7.519 704 HH22 ARG 83 HH22 ARG 83 5.301 -14.093 7.696 705 H LYS 84 H LYS 84 3.463 -6.420 3.359 706 HA LYS 84 HA LYS 84 5.054 -5.083 1.248 707 HB2 LYS 84 HB2 LYS 84 3.629 -3.377 0.825 708 HB3 LYS 84 HB3 LYS 84 2.485 -4.678 0.951 709 HG2 LYS 84 HG2 LYS 84 3.070 -2.479 2.990 710 HG3 LYS 84 HG3 LYS 84 1.692 -2.591 1.902 711 HD2 LYS 84 HD2 LYS 84 1.576 -5.002 3.322 712 HD3 LYS 84 HD3 LYS 84 2.184 -3.833 4.501 713 HE2 LYS 84 HE2 LYS 84 -0.015 -2.685 2.964 714 HE3 LYS 84 HE3 LYS 84 -0.491 -4.268 3.539 715 HZ1 LYS 84 HZ1 LYS 84 -1.071 -3.089 5.337 716 HZ2 LYS 84 HZ2 LYS 84 -0.086 -1.836 5.010 717 HZ3 LYS 84 HZ3 LYS 84 0.489 -3.181 5.781 718 H HIS 85 H HIS 85 6.304 -3.427 1.974 719 HA HIS 85 HA HIS 85 6.841 -3.392 4.906 720 HB2 HIS 85 HB2 HIS 85 8.356 -2.581 2.392 721 HB3 HIS 85 HB3 HIS 85 8.699 -1.714 3.862 722 HD1 HIS 85 HD1 HIS 85 10.281 -4.431 2.162 723 HD2 HIS 85 HD2 HIS 85 9.049 -3.577 6.101 724 HE1 HIS 85 HE1 HIS 85 11.397 -6.174 3.739 725 H TYR 86 H TYR 86 5.594 -1.732 5.927 726 HA TYR 86 HA TYR 86 4.694 0.591 4.250 727 HB2 TYR 86 HB2 TYR 86 2.894 0.956 5.725 728 HB3 TYR 86 HB3 TYR 86 2.820 -0.734 5.237 729 HD1 TYR 86 HD1 TYR 86 3.868 -2.473 7.004 730 HD2 TYR 86 HD2 TYR 86 2.763 1.605 7.931 731 HE1 TYR 86 HE1 TYR 86 3.801 -3.040 9.396 732 HE2 TYR 86 HE2 TYR 86 2.708 1.050 10.326 733 HH TYR 86 HH TYR 86 3.018 -0.558 11.914 734 H ASN 87 H ASN 87 4.722 2.749 5.441 735 HA ASN 87 HA ASN 87 5.949 2.716 8.048 736 HB2 ASN 87 HB2 ASN 87 7.860 3.034 6.236 737 HB3 ASN 87 HB3 ASN 87 7.207 4.660 6.081 738 HD21 ASN 87 HD21 ASN 87 9.550 5.096 6.890 739 HD22 ASN 87 HD22 ASN 87 9.832 4.994 8.624 740 H LEU 88 H LEU 88 5.570 4.786 9.161 741 HA LEU 88 HA LEU 88 3.172 6.190 8.054 742 HB2 LEU 88 HB2 LEU 88 4.001 5.847 10.950 743 HB3 LEU 88 HB3 LEU 88 2.484 6.499 10.369 744 HG LEU 88 HG LEU 88 3.364 3.581 10.067 745 HD11 LEU 88 HD11 LEU 88 1.758 3.140 11.896 746 HD12 LEU 88 HD12 LEU 88 1.341 4.857 11.979 747 HD13 LEU 88 HD13 LEU 88 2.955 4.340 12.450 748 HD21 LEU 88 HD21 LEU 88 1.651 4.395 8.353 749 HD22 LEU 88 HD22 LEU 88 0.528 4.611 9.736 750 HD23 LEU 88 HD23 LEU 88 1.184 3.033 9.361 751 H PHE 89 H PHE 89 3.090 8.539 8.304 752 HA PHE 89 HA PHE 89 4.961 10.074 9.703 753 HB2 PHE 89 HB2 PHE 89 6.257 11.017 7.945 754 HB3 PHE 89 HB3 PHE 89 6.562 9.297 7.952 755 HD1 PHE 89 HD1 PHE 89 4.587 8.017 6.230 756 HD2 PHE 89 HD2 PHE 89 6.412 11.919 5.820 757 HE1 PHE 89 HE1 PHE 89 4.083 8.015 3.840 758 HE2 PHE 89 HE2 PHE 89 5.991 11.836 3.391 759 HZ PHE 89 HZ PHE 89 4.795 9.894 2.391 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -4.092 13.664 -2.571 2 HA MET 1 HA MET 1 -5.911 12.433 -0.594 3 HB2 MET 1 HB2 MET 1 -7.428 14.275 -0.993 4 HB3 MET 1 HB3 MET 1 -5.855 14.839 -0.436 5 HG2 MET 1 HG2 MET 1 -5.313 15.408 -2.859 6 HG3 MET 1 HG3 MET 1 -6.994 15.015 -3.242 7 HE1 MET 1 HE1 MET 1 -5.358 18.920 -1.691 8 HE2 MET 1 HE2 MET 1 -4.526 17.386 -1.376 9 HE3 MET 1 HE3 MET 1 -4.844 17.906 -3.052 10 H GLU 2 H GLU 2 -4.935 10.948 -2.989 11 HA GLU 2 HA GLU 2 -7.494 10.362 -4.230 12 HB2 GLU 2 HB2 GLU 2 -6.131 12.399 -5.388 13 HB3 GLU 2 HB3 GLU 2 -5.255 11.074 -6.130 14 HG2 GLU 2 HG2 GLU 2 -7.460 10.171 -6.988 15 HG3 GLU 2 HG3 GLU 2 -8.279 11.532 -6.203 16 H VAL 3 H VAL 3 -5.249 9.200 -2.672 17 HA VAL 3 HA VAL 3 -3.540 7.878 -2.429 18 HB VAL 3 HB VAL 3 -5.220 6.224 -4.252 19 HG11 VAL 3 HG11 VAL 3 -4.086 4.310 -2.883 20 HG12 VAL 3 HG12 VAL 3 -2.975 5.197 -3.920 21 HG13 VAL 3 HG13 VAL 3 -3.038 5.536 -2.182 22 HG21 VAL 3 HG21 VAL 3 -6.123 5.277 -2.084 23 HG22 VAL 3 HG22 VAL 3 -5.292 6.632 -1.286 24 HG23 VAL 3 HG23 VAL 3 -6.599 6.934 -2.447 25 H LYS 4 H LYS 4 -1.568 8.384 -3.063 26 HA LYS 4 HA LYS 4 -0.943 8.829 -5.878 27 HB2 LYS 4 HB2 LYS 4 0.129 9.965 -3.695 28 HB3 LYS 4 HB3 LYS 4 1.118 8.498 -3.662 29 HG2 LYS 4 HG2 LYS 4 1.649 8.976 -6.143 30 HG3 LYS 4 HG3 LYS 4 0.846 10.537 -5.886 31 HD2 LYS 4 HD2 LYS 4 2.549 10.832 -3.918 32 HD3 LYS 4 HD3 LYS 4 3.432 9.486 -4.689 33 HE2 LYS 4 HE2 LYS 4 3.227 10.830 -6.874 34 HE3 LYS 4 HE3 LYS 4 2.617 12.167 -5.893 35 HZ1 LYS 4 HZ1 LYS 4 4.910 12.489 -6.238 36 HZ2 LYS 4 HZ2 LYS 4 5.310 10.973 -5.841 37 HZ3 LYS 4 HZ3 LYS 4 4.833 11.981 -4.662 38 H ILE 5 H ILE 5 -0.330 7.176 -7.262 39 HA ILE 5 HA ILE 5 1.019 4.814 -6.147 40 HB ILE 5 HB ILE 5 -1.280 4.760 -8.156 41 HG12 ILE 5 HG12 ILE 5 -1.047 3.920 -5.266 42 HG13 ILE 5 HG13 ILE 5 -2.217 4.998 -6.024 43 HG21 ILE 5 HG21 ILE 5 -1.005 2.272 -8.147 44 HG22 ILE 5 HG22 ILE 5 0.309 3.167 -8.838 45 HG23 ILE 5 HG23 ILE 5 0.476 2.443 -7.188 46 HD11 ILE 5 HD11 ILE 5 -3.427 3.053 -5.510 47 HD12 ILE 5 HD12 ILE 5 -3.104 2.933 -7.257 48 HD13 ILE 5 HD13 ILE 5 -2.150 1.979 -6.103 49 H GLU 6 H GLU 6 2.845 4.354 -7.357 50 HA GLU 6 HA GLU 6 3.062 4.923 -10.128 51 HB2 GLU 6 HB2 GLU 6 5.111 6.221 -10.091 52 HB3 GLU 6 HB3 GLU 6 3.715 7.158 -9.516 53 HG2 GLU 6 HG2 GLU 6 4.488 6.955 -7.215 54 HG3 GLU 6 HG3 GLU 6 5.749 5.815 -7.719 55 H LYS 7 H LYS 7 5.537 4.215 -10.833 56 HA LYS 7 HA LYS 7 6.254 2.002 -8.995 57 HB2 LYS 7 HB2 LYS 7 6.531 1.868 -11.967 58 HB3 LYS 7 HB3 LYS 7 6.896 0.626 -10.776 59 HG2 LYS 7 HG2 LYS 7 4.838 -0.168 -11.231 60 HG3 LYS 7 HG3 LYS 7 4.284 1.075 -10.144 61 HD2 LYS 7 HD2 LYS 7 4.560 2.273 -12.756 62 HD3 LYS 7 HD3 LYS 7 3.855 0.666 -12.923 63 HE2 LYS 7 HE2 LYS 7 2.683 2.877 -11.212 64 HE3 LYS 7 HE3 LYS 7 2.279 2.623 -12.916 65 HZ1 LYS 7 HZ1 LYS 7 1.609 0.329 -12.234 66 HZ2 LYS 7 HZ2 LYS 7 0.646 1.541 -11.666 67 HZ3 LYS 7 HZ3 LYS 7 1.764 0.778 -10.689 68 HA PRO 8 HA PRO 8 9.519 5.167 -9.206 69 HB2 PRO 8 HB2 PRO 8 10.616 4.580 -6.677 70 HB3 PRO 8 HB3 PRO 8 9.248 5.693 -7.024 71 HG2 PRO 8 HG2 PRO 8 9.148 2.895 -5.946 72 HG3 PRO 8 HG3 PRO 8 8.080 4.302 -5.655 73 HD2 PRO 8 HD2 PRO 8 7.706 2.100 -7.353 74 HD3 PRO 8 HD3 PRO 8 6.717 3.559 -7.341 75 H THR 9 H THR 9 11.943 5.091 -9.149 76 HA THR 9 HA THR 9 12.958 2.702 -10.338 77 HB THR 9 HB THR 9 13.835 4.760 -11.014 78 HG1 THR 9 HG1 THR 9 15.913 4.394 -10.887 79 HG21 THR 9 HG21 THR 9 13.425 6.158 -9.060 80 HG22 THR 9 HG22 THR 9 15.115 6.267 -9.566 81 HG23 THR 9 HG23 THR 9 14.674 5.275 -8.152 82 HA PRO 10 HA PRO 10 13.771 0.593 -6.527 83 HB2 PRO 10 HB2 PRO 10 15.618 -1.333 -7.283 84 HB3 PRO 10 HB3 PRO 10 13.852 -1.382 -7.586 85 HG2 PRO 10 HG2 PRO 10 16.038 -0.477 -9.457 86 HG3 PRO 10 HG3 PRO 10 14.656 -1.552 -9.810 87 HD2 PRO 10 HD2 PRO 10 14.531 1.069 -10.468 88 HD3 PRO 10 HD3 PRO 10 13.106 0.245 -9.788 89 H GLU 11 H GLU 11 16.394 2.181 -8.192 90 HA GLU 11 HA GLU 11 18.502 2.079 -6.323 91 HB2 GLU 11 HB2 GLU 11 17.467 4.457 -7.926 92 HB3 GLU 11 HB3 GLU 11 18.948 4.457 -6.972 93 HG2 GLU 11 HG2 GLU 11 19.034 2.179 -8.723 94 HG3 GLU 11 HG3 GLU 11 18.525 3.578 -9.663 95 H LYS 12 H LYS 12 15.961 4.538 -6.494 96 HA LYS 12 HA LYS 12 16.459 5.872 -4.116 97 HB2 LYS 12 HB2 LYS 12 14.867 6.499 -6.053 98 HB3 LYS 12 HB3 LYS 12 13.705 5.356 -5.387 99 HG2 LYS 12 HG2 LYS 12 12.998 7.451 -4.600 100 HG3 LYS 12 HG3 LYS 12 13.808 6.752 -3.207 101 HD2 LYS 12 HD2 LYS 12 15.894 7.996 -3.838 102 HD3 LYS 12 HD3 LYS 12 15.018 8.725 -5.201 103 HE2 LYS 12 HE2 LYS 12 13.444 9.787 -3.618 104 HE3 LYS 12 HE3 LYS 12 14.255 8.978 -2.269 105 HZ1 LYS 12 HZ1 LYS 12 15.209 11.077 -2.347 106 HZ2 LYS 12 HZ2 LYS 12 15.334 11.111 -3.984 107 HZ3 LYS 12 HZ3 LYS 12 16.332 10.165 -3.112 108 H LEU 13 H LEU 13 14.599 2.951 -4.628 109 HA LEU 13 HA LEU 13 13.280 2.870 -2.067 110 HB2 LEU 13 HB2 LEU 13 13.788 0.963 -4.353 111 HB3 LEU 13 HB3 LEU 13 13.354 0.277 -2.809 112 HG LEU 13 HG LEU 13 11.428 0.654 -4.349 113 HD11 LEU 13 HD11 LEU 13 11.093 2.380 -1.893 114 HD12 LEU 13 HD12 LEU 13 11.313 0.596 -1.794 115 HD13 LEU 13 HD13 LEU 13 9.967 1.266 -2.697 116 HD21 LEU 13 HD21 LEU 13 10.471 3.018 -4.348 117 HD22 LEU 13 HD22 LEU 13 11.832 2.729 -5.444 118 HD23 LEU 13 HD23 LEU 13 12.039 3.619 -3.915 119 H LYS 14 H LYS 14 16.457 1.695 -3.254 120 HA LYS 14 HA LYS 14 16.950 0.206 -0.848 121 HB2 LYS 14 HB2 LYS 14 18.508 0.901 -3.289 122 HB3 LYS 14 HB3 LYS 14 19.422 0.730 -1.798 123 HG2 LYS 14 HG2 LYS 14 19.432 -1.398 -2.615 124 HG3 LYS 14 HG3 LYS 14 18.225 -1.450 -1.357 125 HD2 LYS 14 HD2 LYS 14 17.626 -1.244 -4.325 126 HD3 LYS 14 HD3 LYS 14 17.649 -2.757 -3.394 127 HE2 LYS 14 HE2 LYS 14 15.911 -1.315 -1.899 128 HE3 LYS 14 HE3 LYS 14 15.657 -0.536 -3.462 129 HZ1 LYS 14 HZ1 LYS 14 15.202 -2.795 -4.359 130 HZ2 LYS 14 HZ2 LYS 14 14.113 -2.232 -3.317 131 HZ3 LYS 14 HZ3 LYS 14 15.163 -3.363 -2.782 132 H GLU 15 H GLU 15 17.829 3.483 -1.990 133 HA GLU 15 HA GLU 15 19.287 4.405 0.214 134 HB2 GLU 15 HB2 GLU 15 17.263 6.144 -1.280 135 HB3 GLU 15 HB3 GLU 15 18.704 6.646 -0.402 136 HG2 GLU 15 HG2 GLU 15 20.044 5.303 -2.038 137 HG3 GLU 15 HG3 GLU 15 18.584 5.091 -2.995 138 H LEU 16 H LEU 16 15.878 4.623 -0.354 139 HA LEU 16 HA LEU 16 14.903 5.852 1.953 140 HB2 LEU 16 HB2 LEU 16 13.763 4.144 -0.164 141 HB3 LEU 16 HB3 LEU 16 12.926 3.964 1.355 142 HG LEU 16 HG LEU 16 12.235 6.185 1.486 143 HD11 LEU 16 HD11 LEU 16 14.129 7.485 0.828 144 HD12 LEU 16 HD12 LEU 16 12.813 7.889 -0.257 145 HD13 LEU 16 HD13 LEU 16 14.104 6.800 -0.830 146 HD21 LEU 16 HD21 LEU 16 11.054 4.686 -0.123 147 HD22 LEU 16 HD22 LEU 16 12.079 5.319 -1.435 148 HD23 LEU 16 HD23 LEU 16 10.941 6.396 -0.564 149 H SER 17 H SER 17 16.362 2.769 1.929 150 HA SER 17 HA SER 17 16.771 1.246 3.524 151 HB2 SER 17 HB2 SER 17 15.797 3.401 5.429 152 HB3 SER 17 HB3 SER 17 16.785 1.996 5.830 153 HG SER 17 HG SER 17 17.556 3.923 3.868 154 H VAL 18 H VAL 18 14.203 1.182 2.181 155 HA VAL 18 HA VAL 18 12.011 0.682 3.841 156 HB VAL 18 HB VAL 18 12.605 -0.564 1.130 157 HG11 VAL 18 HG11 VAL 18 10.682 -1.605 2.237 158 HG12 VAL 18 HG12 VAL 18 9.935 -0.008 2.469 159 HG13 VAL 18 HG13 VAL 18 10.189 -0.660 0.830 160 HG21 VAL 18 HG21 VAL 18 11.414 2.112 1.928 161 HG22 VAL 18 HG22 VAL 18 12.787 1.797 0.853 162 HG23 VAL 18 HG23 VAL 18 11.144 1.406 0.333 163 H GLU 19 H GLU 19 14.741 -1.454 3.098 164 HA GLU 19 HA GLU 19 13.652 -3.918 4.003 165 HB2 GLU 19 HB2 GLU 19 16.014 -4.487 4.575 166 HB3 GLU 19 HB3 GLU 19 15.829 -3.828 2.949 167 HG2 GLU 19 HG2 GLU 19 16.737 -1.686 3.626 168 HG3 GLU 19 HG3 GLU 19 16.635 -2.093 5.316 169 H LYS 20 H LYS 20 14.514 -1.044 5.878 170 HA LYS 20 HA LYS 20 14.657 -2.532 8.418 171 HB2 LYS 20 HB2 LYS 20 14.838 0.474 7.956 172 HB3 LYS 20 HB3 LYS 20 15.304 -0.422 9.396 173 HG2 LYS 20 HG2 LYS 20 16.922 -1.670 7.694 174 HG3 LYS 20 HG3 LYS 20 16.704 -0.207 6.734 175 HD2 LYS 20 HD2 LYS 20 17.737 -0.274 9.615 176 HD3 LYS 20 HD3 LYS 20 18.749 -0.331 8.182 177 HE2 LYS 20 HE2 LYS 20 18.866 1.897 8.812 178 HE3 LYS 20 HE3 LYS 20 17.761 1.891 7.451 179 HZ1 LYS 20 HZ1 LYS 20 15.921 2.050 9.035 180 HZ2 LYS 20 HZ2 LYS 20 16.952 3.274 9.235 181 HZ3 LYS 20 HZ3 LYS 20 16.948 2.003 10.308 182 H TRP 21 H TRP 21 12.306 -0.777 6.524 183 HA TRP 21 HA TRP 21 10.797 0.390 8.584 184 HB2 TRP 21 HB2 TRP 21 9.964 -0.586 5.835 185 HB3 TRP 21 HB3 TRP 21 9.013 0.475 6.871 186 HD1 TRP 21 HD1 TRP 21 12.427 1.725 7.128 187 HE1 TRP 21 HE1 TRP 21 12.852 3.615 5.551 188 HE3 TRP 21 HE3 TRP 21 8.297 1.200 4.143 189 HZ2 TRP 21 HZ2 TRP 21 11.461 4.956 3.360 190 HZ3 TRP 21 HZ3 TRP 21 7.850 2.828 2.333 191 HH2 TRP 21 HH2 TRP 21 9.394 4.733 1.934 192 HA PRO 22 HA PRO 22 8.841 -3.164 10.382 193 HB2 PRO 22 HB2 PRO 22 6.273 -2.350 11.031 194 HB3 PRO 22 HB3 PRO 22 7.774 -1.899 11.878 195 HG2 PRO 22 HG2 PRO 22 6.196 -0.356 9.774 196 HG3 PRO 22 HG3 PRO 22 6.924 0.276 11.277 197 HD2 PRO 22 HD2 PRO 22 8.085 0.528 8.807 198 HD3 PRO 22 HD3 PRO 22 9.046 0.386 10.295 199 H ILE 23 H ILE 23 8.240 -5.016 9.408 200 HA ILE 23 HA ILE 23 6.767 -5.025 6.894 201 HB ILE 23 HB ILE 23 7.617 -7.248 8.774 202 HG12 ILE 23 HG12 ILE 23 8.356 -6.655 5.865 203 HG13 ILE 23 HG13 ILE 23 9.251 -5.971 7.199 204 HG21 ILE 23 HG21 ILE 23 5.514 -8.064 7.797 205 HG22 ILE 23 HG22 ILE 23 6.037 -7.588 6.164 206 HG23 ILE 23 HG23 ILE 23 6.845 -8.901 7.033 207 HD11 ILE 23 HD11 ILE 23 10.407 -7.856 6.464 208 HD12 ILE 23 HD12 ILE 23 9.733 -8.276 8.053 209 HD13 ILE 23 HD13 ILE 23 9.001 -8.923 6.562 210 H TRP 24 H TRP 24 4.601 -5.531 6.464 211 HA TRP 24 HA TRP 24 2.967 -6.513 8.648 212 HB2 TRP 24 HB2 TRP 24 2.625 -4.046 8.690 213 HB3 TRP 24 HB3 TRP 24 2.090 -4.098 7.017 214 HD1 TRP 24 HD1 TRP 24 1.028 -4.903 10.570 215 HE1 TRP 24 HE1 TRP 24 -1.442 -5.371 10.697 216 HE3 TRP 24 HE3 TRP 24 0.059 -5.275 5.603 217 HZ2 TRP 24 HZ2 TRP 24 -3.721 -5.375 8.804 218 HZ3 TRP 24 HZ3 TRP 24 -2.305 -5.245 4.759 219 HH2 TRP 24 HH2 TRP 24 -4.181 -5.270 6.369 220 H GLU 25 H GLU 25 1.312 -7.743 7.912 221 HA GLU 25 HA GLU 25 0.909 -8.304 5.059 222 HB2 GLU 25 HB2 GLU 25 0.866 -10.801 5.951 223 HB3 GLU 25 HB3 GLU 25 2.318 -10.063 5.336 224 HG2 GLU 25 HG2 GLU 25 3.211 -9.696 7.544 225 HG3 GLU 25 HG3 GLU 25 1.673 -10.136 8.305 226 H LYS 26 H LYS 26 -1.075 -9.899 4.970 227 HA LYS 26 HA LYS 26 -2.680 -9.964 7.306 228 HB2 LYS 26 HB2 LYS 26 -3.124 -7.702 5.850 229 HB3 LYS 26 HB3 LYS 26 -4.230 -8.765 5.011 230 HG2 LYS 26 HG2 LYS 26 -4.233 -8.411 8.051 231 HG3 LYS 26 HG3 LYS 26 -5.064 -7.304 6.966 232 HD2 LYS 26 HD2 LYS 26 -6.308 -9.306 6.000 233 HD3 LYS 26 HD3 LYS 26 -5.682 -10.228 7.375 234 HE2 LYS 26 HE2 LYS 26 -6.667 -8.584 8.939 235 HE3 LYS 26 HE3 LYS 26 -7.321 -7.666 7.585 236 HZ1 LYS 26 HZ1 LYS 26 -8.922 -9.237 8.612 237 HZ2 LYS 26 HZ2 LYS 26 -8.006 -10.496 8.177 238 HZ3 LYS 26 HZ3 LYS 26 -8.721 -9.539 7.036 239 H GLU 27 H GLU 27 -4.431 -11.536 6.962 240 HA GLU 27 HA GLU 27 -3.870 -13.700 5.289 241 HB2 GLU 27 HB2 GLU 27 -5.463 -13.255 7.371 242 HB3 GLU 27 HB3 GLU 27 -6.691 -13.003 6.167 243 HG2 GLU 27 HG2 GLU 27 -6.765 -15.224 7.136 244 HG3 GLU 27 HG3 GLU 27 -6.332 -15.356 5.433 245 H VAL 28 H VAL 28 -5.518 -14.508 3.955 246 HA VAL 28 HA VAL 28 -6.207 -12.785 1.645 247 HB VAL 28 HB VAL 28 -5.229 -14.995 1.319 248 HG11 VAL 28 HG11 VAL 28 -6.433 -16.239 3.175 249 HG12 VAL 28 HG12 VAL 28 -7.840 -16.319 2.115 250 HG13 VAL 28 HG13 VAL 28 -6.314 -17.074 1.623 251 HG21 VAL 28 HG21 VAL 28 -6.610 -15.634 -0.565 252 HG22 VAL 28 HG22 VAL 28 -8.003 -14.741 0.115 253 HG23 VAL 28 HG23 VAL 28 -6.553 -13.877 -0.415 254 H SER 29 H SER 29 -7.488 -11.438 3.287 255 HA SER 29 HA SER 29 -10.251 -12.087 2.730 256 HB2 SER 29 HB2 SER 29 -9.475 -12.975 5.124 257 HB3 SER 29 HB3 SER 29 -9.824 -11.315 5.602 258 HG SER 29 HG SER 29 -11.401 -13.393 4.524 259 H GLU 30 H GLU 30 -11.575 -10.419 3.110 260 HA GLU 30 HA GLU 30 -10.281 -7.886 2.364 261 HB2 GLU 30 HB2 GLU 30 -12.284 -6.941 1.820 262 HB3 GLU 30 HB3 GLU 30 -12.401 -8.581 1.207 263 HG2 GLU 30 HG2 GLU 30 -14.110 -9.129 2.771 264 HG3 GLU 30 HG3 GLU 30 -13.667 -7.826 3.873 265 H PHE 31 H PHE 31 -10.922 -5.828 3.362 266 HA PHE 31 HA PHE 31 -12.378 -5.674 5.799 267 HB2 PHE 31 HB2 PHE 31 -10.446 -4.546 7.107 268 HB3 PHE 31 HB3 PHE 31 -10.473 -6.286 7.046 269 HD1 PHE 31 HD1 PHE 31 -8.860 -7.574 5.736 270 HD2 PHE 31 HD2 PHE 31 -8.677 -3.272 5.860 271 HE1 PHE 31 HE1 PHE 31 -6.616 -7.650 4.753 272 HE2 PHE 31 HE2 PHE 31 -6.375 -3.360 4.891 273 HZ PHE 31 HZ PHE 31 -5.353 -5.571 4.344 274 H ASP 32 H ASP 32 -11.803 -3.066 6.517 275 HA ASP 32 HA ASP 32 -11.092 -1.588 4.109 276 HB2 ASP 32 HB2 ASP 32 -12.692 0.144 4.563 277 HB3 ASP 32 HB3 ASP 32 -13.560 -1.350 4.285 278 H TRP 33 H TRP 33 -9.763 0.067 4.504 279 HA TRP 33 HA TRP 33 -8.600 0.072 7.268 280 HB2 TRP 33 HB2 TRP 33 -7.355 -0.879 5.175 281 HB3 TRP 33 HB3 TRP 33 -7.117 0.806 4.736 282 HD1 TRP 33 HD1 TRP 33 -5.401 2.199 6.255 283 HE1 TRP 33 HE1 TRP 33 -3.632 1.514 7.954 284 HE3 TRP 33 HE3 TRP 33 -7.008 -2.540 7.271 285 HZ2 TRP 33 HZ2 TRP 33 -2.868 -0.849 9.432 286 HZ3 TRP 33 HZ3 TRP 33 -5.792 -3.968 8.841 287 HH2 TRP 33 HH2 TRP 33 -3.679 -3.132 9.940 288 H TYR 34 H TYR 34 -8.259 2.055 8.266 289 HA TYR 34 HA TYR 34 -8.859 4.501 6.713 290 HB2 TYR 34 HB2 TYR 34 -10.322 4.077 8.713 291 HB3 TYR 34 HB3 TYR 34 -8.915 4.295 9.732 292 HD1 TYR 34 HD1 TYR 34 -7.557 6.539 9.354 293 HD2 TYR 34 HD2 TYR 34 -11.653 5.987 8.175 294 HE1 TYR 34 HE1 TYR 34 -7.805 8.976 9.069 295 HE2 TYR 34 HE2 TYR 34 -11.914 8.418 7.869 296 HH TYR 34 HH TYR 34 -10.827 10.566 8.296 297 H TYR 35 H TYR 35 -7.063 5.448 6.060 298 HA TYR 35 HA TYR 35 -4.437 4.946 7.365 299 HB2 TYR 35 HB2 TYR 35 -5.189 6.245 4.714 300 HB3 TYR 35 HB3 TYR 35 -3.566 6.251 5.399 301 HD1 TYR 35 HD1 TYR 35 -2.461 4.059 6.003 302 HD2 TYR 35 HD2 TYR 35 -5.969 4.278 3.500 303 HE1 TYR 35 HE1 TYR 35 -2.082 1.732 5.301 304 HE2 TYR 35 HE2 TYR 35 -5.588 1.935 2.773 305 HH TYR 35 HH TYR 35 -3.577 -0.233 4.385 306 H ASP 36 H ASP 36 -3.719 6.428 8.779 307 HA ASP 36 HA ASP 36 -5.506 8.769 9.162 308 HB2 ASP 36 HB2 ASP 36 -5.934 8.233 11.237 309 HB3 ASP 36 HB3 ASP 36 -5.787 6.607 10.598 310 H THR 37 H THR 37 -2.349 7.940 8.622 311 HA THR 37 HA THR 37 -1.415 10.659 8.870 312 HB THR 37 HB THR 37 0.850 9.663 9.656 313 HG1 THR 37 HG1 THR 37 -0.489 8.091 11.426 314 HG21 THR 37 HG21 THR 37 0.079 10.220 12.047 315 HG22 THR 37 HG22 THR 37 -1.546 10.409 11.377 316 HG23 THR 37 HG23 THR 37 -0.244 11.432 10.787 317 H ASN 38 H ASN 38 0.915 10.492 7.677 318 HA ASN 38 HA ASN 38 0.045 9.719 4.965 319 HB2 ASN 38 HB2 ASN 38 2.805 10.532 5.919 320 HB3 ASN 38 HB3 ASN 38 2.210 10.511 4.258 321 HD21 ASN 38 HD21 ASN 38 2.371 12.177 7.257 322 HD22 ASN 38 HD22 ASN 38 1.704 13.719 6.751 323 H GLU 39 H GLU 39 0.431 7.664 4.165 324 HA GLU 39 HA GLU 39 2.465 6.038 5.616 325 HB2 GLU 39 HB2 GLU 39 0.160 5.633 6.480 326 HB3 GLU 39 HB3 GLU 39 -0.306 5.031 4.873 327 HG2 GLU 39 HG2 GLU 39 1.516 3.355 4.985 328 HG3 GLU 39 HG3 GLU 39 2.037 3.987 6.550 329 H THR 40 H THR 40 3.959 5.684 4.173 330 HA THR 40 HA THR 40 3.361 5.240 1.321 331 HB THR 40 HB THR 40 5.926 5.141 2.984 332 HG1 THR 40 HG1 THR 40 4.903 7.066 1.158 333 HG21 THR 40 HG21 THR 40 7.125 5.252 0.863 334 HG22 THR 40 HG22 THR 40 5.590 5.180 -0.031 335 HG23 THR 40 HG23 THR 40 6.142 3.786 0.947 336 H CYS 41 H CYS 41 3.322 3.066 0.465 337 HA CYS 41 HA CYS 41 4.618 1.097 2.137 338 HB2 CYS 41 HB2 CYS 41 2.969 -0.698 1.718 339 HB3 CYS 41 HB3 CYS 41 2.426 0.486 2.903 340 HG CYS 41 HG CYS 41 1.237 1.930 0.823 341 H TYR 42 H TYR 42 5.567 -0.511 1.093 342 HA TYR 42 HA TYR 42 5.713 -0.343 -1.868 343 HB2 TYR 42 HB2 TYR 42 7.729 0.482 -0.704 344 HB3 TYR 42 HB3 TYR 42 7.820 -1.006 0.234 345 HD1 TYR 42 HD1 TYR 42 7.629 0.231 -3.259 346 HD2 TYR 42 HD2 TYR 42 9.080 -2.841 -0.642 347 HE1 TYR 42 HE1 TYR 42 8.836 -0.799 -5.179 348 HE2 TYR 42 HE2 TYR 42 10.233 -3.943 -2.559 349 HH TYR 42 HH TYR 42 10.025 -4.000 -5.067 350 H ILE 43 H ILE 43 4.786 -2.063 -2.770 351 HA ILE 43 HA ILE 43 4.055 -4.407 -1.165 352 HB ILE 43 HB ILE 43 3.665 -3.832 -4.110 353 HG12 ILE 43 HG12 ILE 43 2.558 -1.974 -3.015 354 HG13 ILE 43 HG13 ILE 43 1.399 -3.075 -3.717 355 HG21 ILE 43 HG21 ILE 43 3.302 -6.180 -3.543 356 HG22 ILE 43 HG22 ILE 43 2.238 -5.737 -2.197 357 HG23 ILE 43 HG23 ILE 43 1.755 -5.410 -3.875 358 HD11 ILE 43 HD11 ILE 43 0.619 -2.258 -1.563 359 HD12 ILE 43 HD12 ILE 43 0.893 -4.003 -1.456 360 HD13 ILE 43 HD13 ILE 43 2.075 -2.864 -0.757 361 H LEU 44 H LEU 44 5.184 -6.394 -1.222 362 HA LEU 44 HA LEU 44 7.371 -6.640 -3.245 363 HB2 LEU 44 HB2 LEU 44 7.261 -7.777 -0.438 364 HB3 LEU 44 HB3 LEU 44 8.486 -8.116 -1.651 365 HG LEU 44 HG LEU 44 8.364 -5.290 -1.611 366 HD11 LEU 44 HD11 LEU 44 8.599 -4.629 0.676 367 HD12 LEU 44 HD12 LEU 44 8.426 -6.332 1.227 368 HD13 LEU 44 HD13 LEU 44 7.060 -5.474 0.491 369 HD21 LEU 44 HD21 LEU 44 10.397 -6.600 -1.934 370 HD22 LEU 44 HD22 LEU 44 10.338 -7.151 -0.251 371 HD23 LEU 44 HD23 LEU 44 10.620 -5.432 -0.612 372 H GLU 45 H GLU 45 4.529 -8.245 -1.757 373 HA GLU 45 HA GLU 45 4.470 -10.096 -3.977 374 HB2 GLU 45 HB2 GLU 45 4.647 -12.075 -2.600 375 HB3 GLU 45 HB3 GLU 45 6.130 -11.146 -2.543 376 HG2 GLU 45 HG2 GLU 45 4.867 -10.132 -0.323 377 HG3 GLU 45 HG3 GLU 45 4.278 -11.782 -0.301 378 H GLY 46 H GLY 46 2.421 -11.229 -4.049 379 HA2 GLY 46 HA2 GLY 46 0.247 -11.728 -3.176 380 HA3 GLY 46 HA3 GLY 46 0.276 -10.224 -2.246 381 H LYS 47 H LYS 47 -1.929 -10.179 -3.437 382 HA LYS 47 HA LYS 47 -1.646 -8.351 -5.689 383 HB2 LYS 47 HB2 LYS 47 -2.573 -10.920 -6.274 384 HB3 LYS 47 HB3 LYS 47 -4.049 -10.011 -6.000 385 HG2 LYS 47 HG2 LYS 47 -1.882 -9.453 -8.041 386 HG3 LYS 47 HG3 LYS 47 -3.466 -10.094 -8.375 387 HD2 LYS 47 HD2 LYS 47 -2.823 -7.265 -7.473 388 HD3 LYS 47 HD3 LYS 47 -3.108 -7.754 -9.108 389 HE2 LYS 47 HE2 LYS 47 -5.216 -8.055 -6.948 390 HE3 LYS 47 HE3 LYS 47 -5.014 -6.560 -7.873 391 HZ1 LYS 47 HZ1 LYS 47 -5.864 -9.183 -8.973 392 HZ2 LYS 47 HZ2 LYS 47 -5.431 -7.906 -9.909 393 HZ3 LYS 47 HZ3 LYS 47 -6.714 -7.814 -8.890 394 H VAL 48 H VAL 48 -3.036 -6.768 -5.525 395 HA VAL 48 HA VAL 48 -5.171 -6.780 -3.654 396 HB VAL 48 HB VAL 48 -3.830 -6.042 -2.247 397 HG11 VAL 48 HG11 VAL 48 -1.874 -6.141 -2.738 398 HG12 VAL 48 HG12 VAL 48 -1.930 -4.877 -3.929 399 HG13 VAL 48 HG13 VAL 48 -2.051 -4.520 -2.145 400 HG21 VAL 48 HG21 VAL 48 -4.171 -3.758 -1.627 401 HG22 VAL 48 HG22 VAL 48 -5.109 -3.657 -3.107 402 HG23 VAL 48 HG23 VAL 48 -5.570 -4.800 -1.838 403 H GLU 49 H GLU 49 -6.914 -5.722 -3.766 404 HA GLU 49 HA GLU 49 -6.913 -3.643 -5.722 405 HB2 GLU 49 HB2 GLU 49 -8.901 -5.885 -5.408 406 HB3 GLU 49 HB3 GLU 49 -9.556 -4.317 -5.829 407 HG2 GLU 49 HG2 GLU 49 -8.546 -4.254 -7.921 408 HG3 GLU 49 HG3 GLU 49 -7.212 -5.312 -7.424 409 H VAL 50 H VAL 50 -7.088 -1.781 -4.612 410 HA VAL 50 HA VAL 50 -8.645 -1.663 -2.069 411 HB VAL 50 HB VAL 50 -6.593 0.228 -3.333 412 HG11 VAL 50 HG11 VAL 50 -8.343 1.590 -2.227 413 HG12 VAL 50 HG12 VAL 50 -8.131 0.627 -0.743 414 HG13 VAL 50 HG13 VAL 50 -6.816 1.634 -1.361 415 HG21 VAL 50 HG21 VAL 50 -5.336 -0.283 -1.246 416 HG22 VAL 50 HG22 VAL 50 -6.638 -1.424 -0.790 417 HG23 VAL 50 HG23 VAL 50 -5.636 -1.745 -2.174 418 H THR 51 H THR 51 -10.549 -0.428 -2.067 419 HA THR 51 HA THR 51 -11.243 1.000 -4.554 420 HB THR 51 HB THR 51 -13.069 -1.085 -3.310 421 HG1 THR 51 HG1 THR 51 -11.794 -2.245 -4.590 422 HG21 THR 51 HG21 THR 51 -14.517 -0.581 -5.276 423 HG22 THR 51 HG22 THR 51 -13.396 0.708 -5.774 424 HG23 THR 51 HG23 THR 51 -14.320 0.863 -4.272 425 H THR 52 H THR 52 -11.711 3.027 -3.976 426 HA THR 52 HA THR 52 -12.069 3.753 -1.203 427 HB THR 52 HB THR 52 -12.160 6.046 -2.283 428 HG1 THR 52 HG1 THR 52 -11.516 6.030 -4.542 429 HG21 THR 52 HG21 THR 52 -10.022 5.170 -1.477 430 HG22 THR 52 HG22 THR 52 -9.785 6.073 -2.970 431 HG23 THR 52 HG23 THR 52 -9.760 4.298 -3.003 432 H GLU 53 H GLU 53 -13.851 5.622 -0.895 433 HA GLU 53 HA GLU 53 -16.429 4.483 -1.016 434 HB2 GLU 53 HB2 GLU 53 -17.176 6.613 -0.216 435 HB3 GLU 53 HB3 GLU 53 -15.576 6.301 0.449 436 HG2 GLU 53 HG2 GLU 53 -14.747 7.741 -1.625 437 HG3 GLU 53 HG3 GLU 53 -16.392 8.362 -1.613 438 H ASP 54 H ASP 54 -14.574 6.414 -3.256 439 HA ASP 54 HA ASP 54 -16.656 7.264 -4.982 440 HB2 ASP 54 HB2 ASP 54 -13.910 7.819 -4.404 441 HB3 ASP 54 HB3 ASP 54 -13.962 7.424 -6.115 442 H GLY 55 H GLY 55 -15.481 4.172 -4.710 443 HA2 GLY 55 HA2 GLY 55 -15.732 2.309 -6.091 444 HA3 GLY 55 HA3 GLY 55 -16.582 3.332 -7.244 445 H LYS 56 H LYS 56 -13.548 4.695 -6.749 446 HA LYS 56 HA LYS 56 -12.394 3.629 -9.213 447 HB2 LYS 56 HB2 LYS 56 -11.299 5.335 -6.957 448 HB3 LYS 56 HB3 LYS 56 -10.241 4.711 -8.207 449 HG2 LYS 56 HG2 LYS 56 -12.696 6.318 -8.998 450 HG3 LYS 56 HG3 LYS 56 -11.258 7.119 -8.379 451 HD2 LYS 56 HD2 LYS 56 -11.012 7.222 -10.697 452 HD3 LYS 56 HD3 LYS 56 -9.892 5.964 -10.178 453 HE2 LYS 56 HE2 LYS 56 -11.624 4.241 -10.850 454 HE3 LYS 56 HE3 LYS 56 -12.647 5.571 -11.439 455 HZ1 LYS 56 HZ1 LYS 56 -11.365 4.515 -13.178 456 HZ2 LYS 56 HZ2 LYS 56 -9.941 4.927 -12.478 457 HZ3 LYS 56 HZ3 LYS 56 -10.952 6.102 -13.033 458 H LYS 57 H LYS 57 -11.745 1.600 -9.329 459 HA LYS 57 HA LYS 57 -10.780 0.060 -6.988 460 HB2 LYS 57 HB2 LYS 57 -11.270 -0.512 -9.922 461 HB3 LYS 57 HB3 LYS 57 -9.920 -1.339 -9.149 462 HG2 LYS 57 HG2 LYS 57 -11.699 -2.819 -9.049 463 HG3 LYS 57 HG3 LYS 57 -11.402 -2.245 -7.424 464 HD2 LYS 57 HD2 LYS 57 -13.744 -2.360 -7.659 465 HD3 LYS 57 HD3 LYS 57 -13.390 -0.643 -7.749 466 HE2 LYS 57 HE2 LYS 57 -13.361 -1.999 -10.405 467 HE3 LYS 57 HE3 LYS 57 -14.887 -2.211 -9.539 468 HZ1 LYS 57 HZ1 LYS 57 -15.042 0.170 -9.286 469 HZ2 LYS 57 HZ2 LYS 57 -15.029 -0.253 -10.861 470 HZ3 LYS 57 HZ3 LYS 57 -13.699 0.424 -10.183 471 H TYR 58 H TYR 58 -8.547 -0.321 -6.661 472 HA TYR 58 HA TYR 58 -6.626 0.863 -8.573 473 HB2 TYR 58 HB2 TYR 58 -6.518 0.993 -5.542 474 HB3 TYR 58 HB3 TYR 58 -5.197 1.409 -6.607 475 HD1 TYR 58 HD1 TYR 58 -8.625 2.390 -5.495 476 HD2 TYR 58 HD2 TYR 58 -5.098 3.635 -7.652 477 HE1 TYR 58 HE1 TYR 58 -9.382 4.748 -5.394 478 HE2 TYR 58 HE2 TYR 58 -5.785 5.993 -7.447 479 HH TYR 58 HH TYR 58 -7.223 7.431 -6.211 480 H VAL 59 H VAL 59 -5.267 -0.760 -9.183 481 HA VAL 59 HA VAL 59 -5.395 -3.389 -7.759 482 HB VAL 59 HB VAL 59 -4.521 -2.535 -10.562 483 HG11 VAL 59 HG11 VAL 59 -2.952 -4.275 -9.859 484 HG12 VAL 59 HG12 VAL 59 -4.281 -5.303 -9.299 485 HG13 VAL 59 HG13 VAL 59 -4.085 -4.953 -11.024 486 HG21 VAL 59 HG21 VAL 59 -6.666 -4.536 -9.718 487 HG22 VAL 59 HG22 VAL 59 -7.011 -2.852 -10.146 488 HG23 VAL 59 HG23 VAL 59 -6.331 -3.943 -11.354 489 H ILE 60 H ILE 60 -3.490 -3.908 -6.329 490 HA ILE 60 HA ILE 60 -1.072 -2.430 -7.142 491 HB ILE 60 HB ILE 60 -0.898 -3.049 -4.515 492 HG12 ILE 60 HG12 ILE 60 -3.567 -3.373 -4.679 493 HG13 ILE 60 HG13 ILE 60 -2.704 -2.903 -3.318 494 HG21 ILE 60 HG21 ILE 60 -1.109 -0.946 -3.813 495 HG22 ILE 60 HG22 ILE 60 0.029 -1.127 -5.213 496 HG23 ILE 60 HG23 ILE 60 -1.580 -0.377 -5.436 497 HD11 ILE 60 HD11 ILE 60 -3.482 -0.673 -3.473 498 HD12 ILE 60 HD12 ILE 60 -3.759 -0.790 -5.243 499 HD13 ILE 60 HD13 ILE 60 -4.853 -1.589 -4.154 500 H GLU 61 H GLU 61 0.696 -3.723 -7.503 501 HA GLU 61 HA GLU 61 0.536 -6.293 -6.236 502 HB2 GLU 61 HB2 GLU 61 1.212 -7.435 -8.275 503 HB3 GLU 61 HB3 GLU 61 -0.210 -6.480 -8.671 504 HG2 GLU 61 HG2 GLU 61 1.383 -4.694 -9.568 505 HG3 GLU 61 HG3 GLU 61 2.718 -5.823 -9.317 506 H LYS 62 H LYS 62 2.822 -7.455 -6.919 507 HA LYS 62 HA LYS 62 4.827 -6.200 -5.349 508 HB2 LYS 62 HB2 LYS 62 6.259 -8.027 -6.076 509 HB3 LYS 62 HB3 LYS 62 4.686 -8.565 -5.483 510 HG2 LYS 62 HG2 LYS 62 4.676 -8.184 -8.387 511 HG3 LYS 62 HG3 LYS 62 5.974 -9.271 -7.892 512 HD2 LYS 62 HD2 LYS 62 4.261 -10.644 -6.601 513 HD3 LYS 62 HD3 LYS 62 2.997 -9.606 -7.333 514 HE2 LYS 62 HE2 LYS 62 3.997 -10.160 -9.608 515 HE3 LYS 62 HE3 LYS 62 5.034 -11.344 -8.802 516 HZ1 LYS 62 HZ1 LYS 62 2.944 -12.438 -8.057 517 HZ2 LYS 62 HZ2 LYS 62 3.093 -12.385 -9.699 518 HZ3 LYS 62 HZ3 LYS 62 2.083 -11.344 -8.963 519 H GLY 63 H GLY 63 4.893 -4.101 -6.364 520 HA2 GLY 63 HA2 GLY 63 7.158 -3.272 -7.476 521 HA3 GLY 63 HA3 GLY 63 6.424 -3.959 -8.904 522 H ASP 64 H ASP 64 4.008 -2.549 -6.798 523 HA ASP 64 HA ASP 64 4.122 0.070 -8.236 524 HB2 ASP 64 HB2 ASP 64 1.783 -1.266 -6.748 525 HB3 ASP 64 HB3 ASP 64 1.741 0.254 -7.495 526 H LEU 65 H LEU 65 4.634 1.768 -6.716 527 HA LEU 65 HA LEU 65 4.569 1.087 -3.853 528 HB2 LEU 65 HB2 LEU 65 6.450 2.373 -5.297 529 HB3 LEU 65 HB3 LEU 65 5.513 3.775 -4.788 530 HG LEU 65 HG LEU 65 6.255 1.599 -2.840 531 HD11 LEU 65 HD11 LEU 65 8.422 2.652 -2.354 532 HD12 LEU 65 HD12 LEU 65 8.137 3.877 -3.573 533 HD13 LEU 65 HD13 LEU 65 8.340 2.161 -4.062 534 HD21 LEU 65 HD21 LEU 65 6.354 4.490 -2.143 535 HD22 LEU 65 HD22 LEU 65 6.585 3.004 -1.161 536 HD23 LEU 65 HD23 LEU 65 4.995 3.380 -1.821 537 H VAL 66 H VAL 66 3.363 2.497 -2.423 538 HA VAL 66 HA VAL 66 1.454 4.304 -3.719 539 HB VAL 66 HB VAL 66 0.760 2.221 -1.582 540 HG11 VAL 66 HG11 VAL 66 -1.021 4.155 -3.108 541 HG12 VAL 66 HG12 VAL 66 -1.602 2.860 -2.039 542 HG13 VAL 66 HG13 VAL 66 -0.673 4.190 -1.380 543 HG21 VAL 66 HG21 VAL 66 1.049 0.933 -3.568 544 HG22 VAL 66 HG22 VAL 66 -0.686 1.205 -3.446 545 HG23 VAL 66 HG23 VAL 66 0.284 2.156 -4.578 546 H THR 67 H THR 67 0.764 6.048 -2.422 547 HA THR 67 HA THR 67 1.700 6.132 0.345 548 HB THR 67 HB THR 67 2.137 8.445 -1.562 549 HG1 THR 67 HG1 THR 67 3.914 7.156 -1.619 550 HG21 THR 67 HG21 THR 67 1.306 9.311 0.577 551 HG22 THR 67 HG22 THR 67 3.050 9.588 0.513 552 HG23 THR 67 HG23 THR 67 2.397 8.253 1.486 553 H PHE 68 H PHE 68 -0.004 6.361 1.553 554 HA PHE 68 HA PHE 68 -2.565 7.384 0.528 555 HB2 PHE 68 HB2 PHE 68 -1.712 6.073 3.145 556 HB3 PHE 68 HB3 PHE 68 -3.349 6.616 2.808 557 HD1 PHE 68 HD1 PHE 68 -4.303 5.778 0.435 558 HD2 PHE 68 HD2 PHE 68 -1.326 3.746 2.772 559 HE1 PHE 68 HE1 PHE 68 -4.849 3.647 -0.734 560 HE2 PHE 68 HE2 PHE 68 -1.747 1.671 1.454 561 HZ PHE 68 HZ PHE 68 -3.566 1.611 -0.245 562 HA PRO 69 HA PRO 69 -1.758 11.259 2.691 563 HB2 PRO 69 HB2 PRO 69 -4.162 12.401 2.878 564 HB3 PRO 69 HB3 PRO 69 -3.562 11.940 1.252 565 HG2 PRO 69 HG2 PRO 69 -5.415 10.376 3.082 566 HG3 PRO 69 HG3 PRO 69 -5.627 10.804 1.370 567 HD2 PRO 69 HD2 PRO 69 -4.550 8.385 2.293 568 HD3 PRO 69 HD3 PRO 69 -4.210 9.041 0.677 569 H LYS 70 H LYS 70 -2.792 12.457 4.566 570 HA LYS 70 HA LYS 70 -3.071 10.678 6.956 571 HB2 LYS 70 HB2 LYS 70 -1.456 12.542 7.147 572 HB3 LYS 70 HB3 LYS 70 -2.714 13.713 6.765 573 HG2 LYS 70 HG2 LYS 70 -3.849 13.336 8.868 574 HG3 LYS 70 HG3 LYS 70 -2.887 11.895 9.208 575 HD2 LYS 70 HD2 LYS 70 -0.815 13.282 9.239 576 HD3 LYS 70 HD3 LYS 70 -1.827 14.728 9.138 577 HE2 LYS 70 HE2 LYS 70 -2.935 14.150 11.257 578 HE3 LYS 70 HE3 LYS 70 -2.137 12.574 11.288 579 HZ1 LYS 70 HZ1 LYS 70 -0.987 13.988 12.751 580 HZ2 LYS 70 HZ2 LYS 70 -0.863 15.203 11.669 581 HZ3 LYS 70 HZ3 LYS 70 0.017 13.833 11.457 582 H GLY 71 H GLY 71 -5.147 9.851 6.712 583 HA2 GLY 71 HA2 GLY 71 -7.379 10.171 7.372 584 HA3 GLY 71 HA3 GLY 71 -7.377 11.816 6.769 585 H LEU 72 H LEU 72 -7.362 8.377 5.821 586 HA LEU 72 HA LEU 72 -9.173 8.981 3.590 587 HB2 LEU 72 HB2 LEU 72 -6.999 8.803 2.462 588 HB3 LEU 72 HB3 LEU 72 -6.624 7.333 3.354 589 HG LEU 72 HG LEU 72 -8.505 6.164 2.126 590 HD11 LEU 72 HD11 LEU 72 -8.557 8.734 0.463 591 HD12 LEU 72 HD12 LEU 72 -9.881 8.173 1.501 592 HD13 LEU 72 HD13 LEU 72 -9.416 7.224 0.095 593 HD21 LEU 72 HD21 LEU 72 -6.236 5.948 1.475 594 HD22 LEU 72 HD22 LEU 72 -6.342 7.426 0.472 595 HD23 LEU 72 HD23 LEU 72 -7.293 5.960 0.064 596 H ARG 73 H ARG 73 -10.450 7.045 3.065 597 HA ARG 73 HA ARG 73 -10.304 4.752 4.881 598 HB2 ARG 73 HB2 ARG 73 -12.863 4.863 4.897 599 HB3 ARG 73 HB3 ARG 73 -12.022 5.955 5.982 600 HG2 ARG 73 HG2 ARG 73 -12.911 6.922 3.247 601 HG3 ARG 73 HG3 ARG 73 -14.052 6.820 4.570 602 HD2 ARG 73 HD2 ARG 73 -13.025 8.543 5.798 603 HD3 ARG 73 HD3 ARG 73 -11.456 8.284 5.105 604 HE ARG 73 HE ARG 73 -11.915 9.819 3.508 605 HH11 ARG 73 HH11 ARG 73 -14.969 8.745 4.877 606 HH12 ARG 73 HH12 ARG 73 -15.935 9.886 4.006 607 HH21 ARG 73 HH21 ARG 73 -13.111 11.453 2.484 608 HH22 ARG 73 HH22 ARG 73 -14.846 11.370 2.495 609 H CYS 74 H CYS 74 -10.740 2.853 3.685 610 HA CYS 74 HA CYS 74 -12.376 2.916 1.301 611 HB2 CYS 74 HB2 CYS 74 -10.569 1.915 -0.112 612 HB3 CYS 74 HB3 CYS 74 -10.429 3.689 0.121 613 HG CYS 74 HG CYS 74 -8.972 1.749 2.290 614 H ARG 75 H ARG 75 -12.492 0.649 0.351 615 HA ARG 75 HA ARG 75 -11.994 -1.421 2.375 616 HB2 ARG 75 HB2 ARG 75 -13.462 -1.334 -0.175 617 HB3 ARG 75 HB3 ARG 75 -12.406 -2.720 -0.074 618 HG2 ARG 75 HG2 ARG 75 -14.014 -3.752 1.107 619 HG3 ARG 75 HG3 ARG 75 -13.547 -2.781 2.494 620 HD2 ARG 75 HD2 ARG 75 -15.470 -2.089 0.359 621 HD3 ARG 75 HD3 ARG 75 -15.945 -2.714 1.956 622 HE ARG 75 HE ARG 75 -14.373 -0.203 1.987 623 HH11 ARG 75 HH11 ARG 75 -17.604 -1.574 1.510 624 HH12 ARG 75 HH12 ARG 75 -18.480 -0.346 2.328 625 HH21 ARG 75 HH21 ARG 75 -15.618 1.408 3.459 626 HH22 ARG 75 HH22 ARG 75 -17.325 1.446 3.229 627 H TRP 76 H TRP 76 -10.858 -3.223 1.844 628 HA TRP 76 HA TRP 76 -8.621 -2.966 -0.046 629 HB2 TRP 76 HB2 TRP 76 -8.272 -3.616 2.838 630 HB3 TRP 76 HB3 TRP 76 -7.421 -4.630 1.699 631 HD1 TRP 76 HD1 TRP 76 -7.848 -0.803 2.066 632 HE1 TRP 76 HE1 TRP 76 -5.609 0.321 1.475 633 HE3 TRP 76 HE3 TRP 76 -4.924 -4.967 1.043 634 HZ2 TRP 76 HZ2 TRP 76 -2.929 -0.437 0.950 635 HZ3 TRP 76 HZ3 TRP 76 -2.552 -4.700 0.575 636 HH2 TRP 76 HH2 TRP 76 -1.529 -2.423 0.467 637 H LYS 77 H LYS 77 -8.607 -4.829 -1.338 638 HA LYS 77 HA LYS 77 -9.931 -7.286 -0.314 639 HB2 LYS 77 HB2 LYS 77 -11.259 -6.286 -2.146 640 HB3 LYS 77 HB3 LYS 77 -9.837 -6.316 -3.201 641 HG2 LYS 77 HG2 LYS 77 -9.751 -8.700 -3.156 642 HG3 LYS 77 HG3 LYS 77 -10.912 -8.809 -1.835 643 HD2 LYS 77 HD2 LYS 77 -11.882 -9.503 -3.948 644 HD3 LYS 77 HD3 LYS 77 -12.747 -8.165 -3.220 645 HE2 LYS 77 HE2 LYS 77 -10.685 -7.740 -5.438 646 HE3 LYS 77 HE3 LYS 77 -12.363 -8.199 -5.765 647 HZ1 LYS 77 HZ1 LYS 77 -13.055 -6.252 -4.467 648 HZ2 LYS 77 HZ2 LYS 77 -12.263 -5.899 -5.874 649 HZ3 LYS 77 HZ3 LYS 77 -11.506 -5.704 -4.453 650 H VAL 78 H VAL 78 -8.205 -8.262 0.459 651 HA VAL 78 HA VAL 78 -5.573 -8.324 -0.907 652 HB VAL 78 HB VAL 78 -6.431 -10.089 1.431 653 HG11 VAL 78 HG11 VAL 78 -4.027 -9.822 2.058 654 HG12 VAL 78 HG12 VAL 78 -4.345 -10.616 0.532 655 HG13 VAL 78 HG13 VAL 78 -3.778 -8.925 0.530 656 HG21 VAL 78 HG21 VAL 78 -5.557 -8.368 2.998 657 HG22 VAL 78 HG22 VAL 78 -5.502 -7.185 1.648 658 HG23 VAL 78 HG23 VAL 78 -7.045 -7.845 2.232 659 H LEU 79 H LEU 79 -5.871 -9.320 -2.801 660 HA LEU 79 HA LEU 79 -7.867 -11.488 -3.016 661 HB2 LEU 79 HB2 LEU 79 -5.844 -10.262 -4.905 662 HB3 LEU 79 HB3 LEU 79 -6.779 -11.697 -5.334 663 HG LEU 79 HG LEU 79 -7.997 -9.007 -4.532 664 HD11 LEU 79 HD11 LEU 79 -7.194 -10.197 -7.162 665 HD12 LEU 79 HD12 LEU 79 -7.097 -8.522 -6.555 666 HD13 LEU 79 HD13 LEU 79 -8.637 -9.167 -7.095 667 HD21 LEU 79 HD21 LEU 79 -10.071 -10.035 -5.560 668 HD22 LEU 79 HD22 LEU 79 -9.568 -10.793 -4.056 669 HD23 LEU 79 HD23 LEU 79 -9.212 -11.594 -5.581 670 H GLU 80 H GLU 80 -4.394 -11.044 -2.477 671 HA GLU 80 HA GLU 80 -4.202 -13.897 -1.861 672 HB2 GLU 80 HB2 GLU 80 -2.059 -12.427 -3.477 673 HB3 GLU 80 HB3 GLU 80 -2.190 -14.156 -3.224 674 HG2 GLU 80 HG2 GLU 80 -4.263 -14.140 -4.663 675 HG3 GLU 80 HG3 GLU 80 -4.016 -12.411 -4.950 676 HA PRO 81 HA PRO 81 -2.660 -12.158 1.725 677 HB2 PRO 81 HB2 PRO 81 -0.769 -13.920 2.712 678 HB3 PRO 81 HB3 PRO 81 -2.536 -14.193 2.710 679 HG2 PRO 81 HG2 PRO 81 -0.486 -15.182 0.711 680 HG3 PRO 81 HG3 PRO 81 -1.821 -16.101 1.475 681 HD2 PRO 81 HD2 PRO 81 -2.049 -15.065 -1.019 682 HD3 PRO 81 HD3 PRO 81 -3.441 -15.056 0.092 683 H VAL 82 H VAL 82 -1.793 -10.281 1.181 684 HA VAL 82 HA VAL 82 0.661 -10.004 -0.223 685 HB VAL 82 HB VAL 82 -1.424 -8.526 -0.285 686 HG11 VAL 82 HG11 VAL 82 -1.607 -8.291 2.199 687 HG12 VAL 82 HG12 VAL 82 -0.210 -7.198 2.167 688 HG13 VAL 82 HG13 VAL 82 -1.698 -6.760 1.301 689 HG21 VAL 82 HG21 VAL 82 0.508 -7.720 -1.466 690 HG22 VAL 82 HG22 VAL 82 -0.283 -6.378 -0.653 691 HG23 VAL 82 HG23 VAL 82 1.216 -7.051 0.020 692 H ARG 83 H ARG 83 2.566 -8.882 0.475 693 HA ARG 83 HA ARG 83 2.908 -8.469 3.385 694 HB2 ARG 83 HB2 ARG 83 3.876 -10.731 2.300 695 HB3 ARG 83 HB3 ARG 83 5.194 -9.662 1.844 696 HG2 ARG 83 HG2 ARG 83 5.856 -9.312 4.072 697 HG3 ARG 83 HG3 ARG 83 4.299 -9.758 4.743 698 HD2 ARG 83 HD2 ARG 83 4.559 -12.048 4.350 699 HD3 ARG 83 HD3 ARG 83 5.732 -11.792 3.068 700 HE ARG 83 HE ARG 83 7.418 -11.232 4.620 701 HH11 ARG 83 HH11 ARG 83 4.665 -13.041 6.142 702 HH12 ARG 83 HH12 ARG 83 5.736 -14.269 6.738 703 HH21 ARG 83 HH21 ARG 83 8.719 -12.833 5.605 704 HH22 ARG 83 HH22 ARG 83 7.980 -14.065 6.613 705 H LYS 84 H LYS 84 3.587 -6.367 3.598 706 HA LYS 84 HA LYS 84 5.000 -5.152 1.317 707 HB2 LYS 84 HB2 LYS 84 3.587 -3.448 0.897 708 HB3 LYS 84 HB3 LYS 84 2.449 -4.740 1.147 709 HG2 LYS 84 HG2 LYS 84 3.103 -2.414 2.995 710 HG3 LYS 84 HG3 LYS 84 1.631 -2.682 2.055 711 HD2 LYS 84 HD2 LYS 84 1.370 -4.828 3.571 712 HD3 LYS 84 HD3 LYS 84 2.570 -3.995 4.574 713 HE2 LYS 84 HE2 LYS 84 0.600 -3.298 5.548 714 HE3 LYS 84 HE3 LYS 84 1.049 -1.942 4.539 715 HZ1 LYS 84 HZ1 LYS 84 -1.337 -2.712 4.541 716 HZ2 LYS 84 HZ2 LYS 84 -0.896 -3.953 3.574 717 HZ3 LYS 84 HZ3 LYS 84 -0.695 -2.358 3.112 718 H HIS 85 H HIS 85 6.174 -3.284 1.885 719 HA HIS 85 HA HIS 85 6.815 -3.139 4.782 720 HB2 HIS 85 HB2 HIS 85 8.334 -2.455 2.258 721 HB3 HIS 85 HB3 HIS 85 8.672 -1.576 3.740 722 HD1 HIS 85 HD1 HIS 85 9.434 -4.977 2.202 723 HD2 HIS 85 HD2 HIS 85 9.693 -2.875 5.827 724 HE1 HIS 85 HE1 HIS 85 11.060 -6.274 3.724 725 H TYR 86 H TYR 86 5.339 -1.722 5.696 726 HA TYR 86 HA TYR 86 4.379 0.652 4.191 727 HB2 TYR 86 HB2 TYR 86 2.642 0.899 5.694 728 HB3 TYR 86 HB3 TYR 86 2.670 -0.834 5.405 729 HD1 TYR 86 HD1 TYR 86 3.954 -2.285 7.264 730 HD2 TYR 86 HD2 TYR 86 2.595 1.778 7.865 731 HE1 TYR 86 HE1 TYR 86 4.062 -2.597 9.704 732 HE2 TYR 86 HE2 TYR 86 2.709 1.441 10.314 733 HH TYR 86 HH TYR 86 2.783 -1.440 11.782 734 H ASN 87 H ASN 87 4.603 2.801 5.304 735 HA ASN 87 HA ASN 87 5.959 2.773 7.853 736 HB2 ASN 87 HB2 ASN 87 7.852 2.705 6.159 737 HB3 ASN 87 HB3 ASN 87 7.368 4.339 5.660 738 HD21 ASN 87 HD21 ASN 87 8.487 5.934 6.830 739 HD22 ASN 87 HD22 ASN 87 9.191 5.681 8.402 740 H LEU 88 H LEU 88 4.988 4.210 9.014 741 HA LEU 88 HA LEU 88 3.145 6.192 8.007 742 HB2 LEU 88 HB2 LEU 88 4.353 5.773 10.775 743 HB3 LEU 88 HB3 LEU 88 2.955 6.784 10.419 744 HG LEU 88 HG LEU 88 2.977 3.777 9.879 745 HD11 LEU 88 HD11 LEU 88 1.758 3.509 12.002 746 HD12 LEU 88 HD12 LEU 88 1.970 5.236 12.360 747 HD13 LEU 88 HD13 LEU 88 3.384 4.160 12.287 748 HD21 LEU 88 HD21 LEU 88 0.660 5.708 10.256 749 HD22 LEU 88 HD22 LEU 88 0.560 3.979 9.881 750 HD23 LEU 88 HD23 LEU 88 1.233 5.104 8.692 751 H PHE 89 H PHE 89 3.409 8.549 8.295 752 HA PHE 89 HA PHE 89 5.744 9.536 9.597 753 HB2 PHE 89 HB2 PHE 89 6.445 11.116 7.847 754 HB3 PHE 89 HB3 PHE 89 6.912 9.460 7.590 755 HD1 PHE 89 HD1 PHE 89 4.921 8.116 5.996 756 HD2 PHE 89 HD2 PHE 89 6.113 12.276 5.890 757 HE1 PHE 89 HE1 PHE 89 4.200 8.267 3.674 758 HE2 PHE 89 HE2 PHE 89 5.488 12.385 3.514 759 HZ PHE 89 HZ PHE 89 4.510 10.376 2.378 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -0.650 12.502 -0.355 2 HA MET 1 HA MET 1 -2.365 14.316 -0.242 3 HB2 MET 1 HB2 MET 1 -0.797 16.181 -0.724 4 HB3 MET 1 HB3 MET 1 -0.496 15.503 -2.331 5 HG2 MET 1 HG2 MET 1 -3.055 15.713 -2.700 6 HG3 MET 1 HG3 MET 1 -3.059 16.733 -1.267 7 HE1 MET 1 HE1 MET 1 -4.393 18.037 -3.609 8 HE2 MET 1 HE2 MET 1 -3.392 18.494 -5.010 9 HE3 MET 1 HE3 MET 1 -3.653 16.785 -4.638 10 H GLU 2 H GLU 2 -4.137 13.628 -1.408 11 HA GLU 2 HA GLU 2 -5.322 12.094 -2.638 12 HB2 GLU 2 HB2 GLU 2 -3.802 13.452 -4.598 13 HB3 GLU 2 HB3 GLU 2 -3.428 11.763 -4.877 14 HG2 GLU 2 HG2 GLU 2 -5.250 12.101 -6.247 15 HG3 GLU 2 HG3 GLU 2 -6.037 11.419 -4.817 16 H VAL 3 H VAL 3 -4.950 9.750 -3.737 17 HA VAL 3 HA VAL 3 -2.796 8.348 -2.227 18 HB VAL 3 HB VAL 3 -5.087 7.403 -3.959 19 HG11 VAL 3 HG11 VAL 3 -4.305 5.064 -3.301 20 HG12 VAL 3 HG12 VAL 3 -3.165 5.885 -4.363 21 HG13 VAL 3 HG13 VAL 3 -2.839 5.786 -2.620 22 HG21 VAL 3 HG21 VAL 3 -5.783 6.284 -1.844 23 HG22 VAL 3 HG22 VAL 3 -4.421 7.026 -1.016 24 HG23 VAL 3 HG23 VAL 3 -5.716 8.047 -1.688 25 H LYS 4 H LYS 4 -0.864 8.325 -3.196 26 HA LYS 4 HA LYS 4 -0.713 8.657 -6.158 27 HB2 LYS 4 HB2 LYS 4 0.865 10.017 -4.750 28 HB3 LYS 4 HB3 LYS 4 1.562 8.524 -4.117 29 HG2 LYS 4 HG2 LYS 4 2.651 8.010 -6.078 30 HG3 LYS 4 HG3 LYS 4 1.330 8.573 -7.078 31 HD2 LYS 4 HD2 LYS 4 3.114 9.893 -7.600 32 HD3 LYS 4 HD3 LYS 4 1.993 10.922 -6.706 33 HE2 LYS 4 HE2 LYS 4 3.436 11.099 -4.857 34 HE3 LYS 4 HE3 LYS 4 4.205 9.538 -5.199 35 HZ1 LYS 4 HZ1 LYS 4 4.613 11.936 -6.854 36 HZ2 LYS 4 HZ2 LYS 4 5.340 10.457 -7.017 37 HZ3 LYS 4 HZ3 LYS 4 5.650 11.382 -5.688 38 H ILE 5 H ILE 5 -0.118 6.894 -7.398 39 HA ILE 5 HA ILE 5 1.151 4.584 -6.177 40 HB ILE 5 HB ILE 5 -1.019 4.309 -8.310 41 HG12 ILE 5 HG12 ILE 5 -1.246 3.484 -5.383 42 HG13 ILE 5 HG13 ILE 5 -2.059 4.868 -6.117 43 HG21 ILE 5 HG21 ILE 5 0.831 2.637 -8.405 44 HG22 ILE 5 HG22 ILE 5 0.504 2.198 -6.717 45 HG23 ILE 5 HG23 ILE 5 -0.696 1.879 -7.992 46 HD11 ILE 5 HD11 ILE 5 -3.237 3.317 -7.693 47 HD12 ILE 5 HD12 ILE 5 -2.587 1.956 -6.744 48 HD13 ILE 5 HD13 ILE 5 -3.649 3.145 -5.976 49 H GLU 6 H GLU 6 2.978 4.147 -7.476 50 HA GLU 6 HA GLU 6 2.959 4.411 -10.246 51 HB2 GLU 6 HB2 GLU 6 4.954 5.942 -10.420 52 HB3 GLU 6 HB3 GLU 6 3.362 6.664 -10.158 53 HG2 GLU 6 HG2 GLU 6 3.976 6.921 -7.716 54 HG3 GLU 6 HG3 GLU 6 5.611 6.409 -8.132 55 H LYS 7 H LYS 7 5.409 3.991 -11.002 56 HA LYS 7 HA LYS 7 6.408 1.838 -9.257 57 HB2 LYS 7 HB2 LYS 7 6.597 2.040 -12.276 58 HB3 LYS 7 HB3 LYS 7 7.425 0.864 -11.272 59 HG2 LYS 7 HG2 LYS 7 5.647 -0.357 -11.905 60 HG3 LYS 7 HG3 LYS 7 5.067 0.235 -10.353 61 HD2 LYS 7 HD2 LYS 7 3.563 1.751 -11.336 62 HD3 LYS 7 HD3 LYS 7 4.379 1.726 -12.896 63 HE2 LYS 7 HE2 LYS 7 2.873 -0.619 -11.647 64 HE3 LYS 7 HE3 LYS 7 2.191 0.484 -12.843 65 HZ1 LYS 7 HZ1 LYS 7 3.833 -0.283 -14.432 66 HZ2 LYS 7 HZ2 LYS 7 2.938 -1.523 -13.873 67 HZ3 LYS 7 HZ3 LYS 7 4.477 -1.349 -13.344 68 HA PRO 8 HA PRO 8 9.696 5.080 -9.231 69 HB2 PRO 8 HB2 PRO 8 10.758 4.496 -6.750 70 HB3 PRO 8 HB3 PRO 8 9.309 5.507 -7.017 71 HG2 PRO 8 HG2 PRO 8 9.377 2.556 -6.269 72 HG3 PRO 8 HG3 PRO 8 8.396 3.880 -5.597 73 HD2 PRO 8 HD2 PRO 8 7.546 2.113 -7.496 74 HD3 PRO 8 HD3 PRO 8 6.888 3.739 -7.372 75 H THR 9 H THR 9 12.203 4.837 -8.874 76 HA THR 9 HA THR 9 13.136 2.447 -10.242 77 HB THR 9 HB THR 9 15.323 3.447 -10.080 78 HG1 THR 9 HG1 THR 9 15.747 5.246 -8.917 79 HG21 THR 9 HG21 THR 9 13.383 5.734 -10.604 80 HG22 THR 9 HG22 THR 9 13.757 4.446 -11.777 81 HG23 THR 9 HG23 THR 9 15.028 5.551 -11.226 82 HA PRO 10 HA PRO 10 13.757 0.128 -6.575 83 HB2 PRO 10 HB2 PRO 10 15.677 -1.690 -7.290 84 HB3 PRO 10 HB3 PRO 10 14.008 -1.689 -7.950 85 HG2 PRO 10 HG2 PRO 10 16.483 -0.495 -9.200 86 HG3 PRO 10 HG3 PRO 10 15.263 -1.570 -9.970 87 HD2 PRO 10 HD2 PRO 10 15.171 1.117 -10.262 88 HD3 PRO 10 HD3 PRO 10 13.677 0.135 -10.108 89 H GLU 11 H GLU 11 16.540 1.814 -7.980 90 HA GLU 11 HA GLU 11 18.261 1.618 -5.688 91 HB2 GLU 11 HB2 GLU 11 18.013 3.645 -7.955 92 HB3 GLU 11 HB3 GLU 11 19.200 3.775 -6.652 93 HG2 GLU 11 HG2 GLU 11 19.681 1.201 -7.369 94 HG3 GLU 11 HG3 GLU 11 19.042 1.782 -8.904 95 H LYS 12 H LYS 12 15.698 4.038 -6.631 96 HA LYS 12 HA LYS 12 16.144 5.680 -4.382 97 HB2 LYS 12 HB2 LYS 12 14.628 6.169 -6.430 98 HB3 LYS 12 HB3 LYS 12 13.422 5.137 -5.660 99 HG2 LYS 12 HG2 LYS 12 12.823 7.339 -5.027 100 HG3 LYS 12 HG3 LYS 12 13.596 6.670 -3.610 101 HD2 LYS 12 HD2 LYS 12 15.805 7.753 -4.530 102 HD3 LYS 12 HD3 LYS 12 14.742 8.654 -5.606 103 HE2 LYS 12 HE2 LYS 12 13.783 8.757 -2.837 104 HE3 LYS 12 HE3 LYS 12 15.491 9.201 -2.905 105 HZ1 LYS 12 HZ1 LYS 12 13.376 10.441 -4.547 106 HZ2 LYS 12 HZ2 LYS 12 14.980 10.929 -4.448 107 HZ3 LYS 12 HZ3 LYS 12 13.961 11.067 -3.173 108 H LEU 13 H LEU 13 14.392 2.648 -4.691 109 HA LEU 13 HA LEU 13 13.160 2.795 -2.073 110 HB2 LEU 13 HB2 LEU 13 13.454 0.706 -4.227 111 HB3 LEU 13 HB3 LEU 13 12.985 0.205 -2.618 112 HG LEU 13 HG LEU 13 11.092 0.628 -4.215 113 HD11 LEU 13 HD11 LEU 13 10.760 0.674 -1.759 114 HD12 LEU 13 HD12 LEU 13 9.626 1.680 -2.675 115 HD13 LEU 13 HD13 LEU 13 10.965 2.458 -1.801 116 HD21 LEU 13 HD21 LEU 13 10.303 3.017 -4.397 117 HD22 LEU 13 HD22 LEU 13 11.697 2.589 -5.412 118 HD23 LEU 13 HD23 LEU 13 11.880 3.566 -3.930 119 H LYS 14 H LYS 14 16.433 1.997 -3.042 120 HA LYS 14 HA LYS 14 16.967 0.668 -0.475 121 HB2 LYS 14 HB2 LYS 14 18.681 1.517 -2.820 122 HB3 LYS 14 HB3 LYS 14 19.403 1.348 -1.228 123 HG2 LYS 14 HG2 LYS 14 19.646 -0.770 -2.287 124 HG3 LYS 14 HG3 LYS 14 18.428 -0.928 -1.018 125 HD2 LYS 14 HD2 LYS 14 16.624 -0.756 -2.752 126 HD3 LYS 14 HD3 LYS 14 17.866 -0.577 -3.978 127 HE2 LYS 14 HE2 LYS 14 17.002 -2.835 -3.973 128 HE3 LYS 14 HE3 LYS 14 18.688 -2.881 -3.407 129 HZ1 LYS 14 HZ1 LYS 14 16.978 -4.199 -2.115 130 HZ2 LYS 14 HZ2 LYS 14 16.409 -2.759 -1.529 131 HZ3 LYS 14 HZ3 LYS 14 17.970 -3.233 -1.238 132 H GLU 15 H GLU 15 17.111 3.900 -1.966 133 HA GLU 15 HA GLU 15 18.510 5.099 0.270 134 HB2 GLU 15 HB2 GLU 15 16.720 6.633 -1.660 135 HB3 GLU 15 HB3 GLU 15 18.072 7.196 -0.653 136 HG2 GLU 15 HG2 GLU 15 19.540 5.649 -2.039 137 HG3 GLU 15 HG3 GLU 15 18.201 5.569 -3.190 138 H LEU 16 H LEU 16 15.172 4.383 -0.324 139 HA LEU 16 HA LEU 16 14.089 6.100 1.771 140 HB2 LEU 16 HB2 LEU 16 13.069 4.161 -0.246 141 HB3 LEU 16 HB3 LEU 16 12.197 4.153 1.274 142 HG LEU 16 HG LEU 16 11.634 6.437 1.169 143 HD11 LEU 16 HD11 LEU 16 13.260 6.580 -1.401 144 HD12 LEU 16 HD12 LEU 16 13.644 7.394 0.116 145 HD13 LEU 16 HD13 LEU 16 12.184 7.862 -0.733 146 HD21 LEU 16 HD21 LEU 16 11.192 5.150 -1.567 147 HD22 LEU 16 HD22 LEU 16 10.159 6.372 -0.776 148 HD23 LEU 16 HD23 LEU 16 10.282 4.747 -0.098 149 H SER 17 H SER 17 16.102 3.522 2.184 150 HA SER 17 HA SER 17 16.499 2.038 3.788 151 HB2 SER 17 HB2 SER 17 16.259 2.672 6.042 152 HB3 SER 17 HB3 SER 17 16.545 4.153 5.114 153 HG SER 17 HG SER 17 14.893 4.705 6.419 154 H VAL 18 H VAL 18 13.940 1.570 2.207 155 HA VAL 18 HA VAL 18 11.855 0.969 3.847 156 HB VAL 18 HB VAL 18 12.426 -0.442 1.222 157 HG11 VAL 18 HG11 VAL 18 9.991 -0.530 0.985 158 HG12 VAL 18 HG12 VAL 18 10.572 -1.434 2.381 159 HG13 VAL 18 HG13 VAL 18 9.805 0.154 2.619 160 HG21 VAL 18 HG21 VAL 18 12.591 1.938 0.818 161 HG22 VAL 18 HG22 VAL 18 10.965 1.466 0.322 162 HG23 VAL 18 HG23 VAL 18 11.190 2.260 1.877 163 H GLU 19 H GLU 19 14.506 -1.267 3.035 164 HA GLU 19 HA GLU 19 13.456 -3.653 4.087 165 HB2 GLU 19 HB2 GLU 19 15.886 -4.207 4.538 166 HB3 GLU 19 HB3 GLU 19 15.562 -3.679 2.886 167 HG2 GLU 19 HG2 GLU 19 16.562 -1.562 3.208 168 HG3 GLU 19 HG3 GLU 19 16.448 -1.644 4.954 169 H LYS 20 H LYS 20 14.410 -0.762 5.839 170 HA LYS 20 HA LYS 20 14.813 -2.204 8.346 171 HB2 LYS 20 HB2 LYS 20 14.828 0.812 7.870 172 HB3 LYS 20 HB3 LYS 20 15.439 -0.055 9.275 173 HG2 LYS 20 HG2 LYS 20 17.083 -1.210 7.609 174 HG3 LYS 20 HG3 LYS 20 16.569 0.048 6.468 175 HD2 LYS 20 HD2 LYS 20 17.292 1.786 8.048 176 HD3 LYS 20 HD3 LYS 20 17.863 0.560 9.182 177 HE2 LYS 20 HE2 LYS 20 18.883 0.703 6.308 178 HE3 LYS 20 HE3 LYS 20 19.579 1.707 7.581 179 HZ1 LYS 20 HZ1 LYS 20 20.849 -0.287 7.299 180 HZ2 LYS 20 HZ2 LYS 20 19.554 -1.247 7.609 181 HZ3 LYS 20 HZ3 LYS 20 20.206 -0.300 8.777 182 H TRP 21 H TRP 21 12.249 -0.536 6.649 183 HA TRP 21 HA TRP 21 10.747 0.605 8.748 184 HB2 TRP 21 HB2 TRP 21 9.888 -0.494 6.050 185 HB3 TRP 21 HB3 TRP 21 8.906 0.502 7.071 186 HD1 TRP 21 HD1 TRP 21 12.307 1.951 7.170 187 HE1 TRP 21 HE1 TRP 21 12.585 3.800 5.549 188 HE3 TRP 21 HE3 TRP 21 8.051 1.242 4.374 189 HZ2 TRP 21 HZ2 TRP 21 11.015 5.117 3.432 190 HZ3 TRP 21 HZ3 TRP 21 7.517 2.777 2.505 191 HH2 TRP 21 HH2 TRP 21 9.029 4.770 2.036 192 HA PRO 22 HA PRO 22 8.677 -3.106 10.314 193 HB2 PRO 22 HB2 PRO 22 6.052 -2.436 10.710 194 HB3 PRO 22 HB3 PRO 22 7.391 -1.860 11.743 195 HG2 PRO 22 HG2 PRO 22 6.105 -0.401 9.412 196 HG3 PRO 22 HG3 PRO 22 6.430 0.224 11.060 197 HD2 PRO 22 HD2 PRO 22 8.130 0.732 9.026 198 HD3 PRO 22 HD3 PRO 22 8.760 0.346 10.647 199 H ILE 23 H ILE 23 7.760 -4.949 9.477 200 HA ILE 23 HA ILE 23 6.637 -4.906 6.724 201 HB ILE 23 HB ILE 23 7.649 -7.072 8.605 202 HG12 ILE 23 HG12 ILE 23 8.483 -6.524 5.725 203 HG13 ILE 23 HG13 ILE 23 9.218 -5.661 7.049 204 HG21 ILE 23 HG21 ILE 23 5.694 -8.068 7.584 205 HG22 ILE 23 HG22 ILE 23 6.191 -7.545 5.953 206 HG23 ILE 23 HG23 ILE 23 7.107 -8.757 6.847 207 HD11 ILE 23 HD11 ILE 23 10.621 -7.534 6.484 208 HD12 ILE 23 HD12 ILE 23 9.926 -7.803 8.095 209 HD13 ILE 23 HD13 ILE 23 9.291 -8.681 6.690 210 H TRP 24 H TRP 24 4.504 -5.869 6.391 211 HA TRP 24 HA TRP 24 3.002 -6.733 8.744 212 HB2 TRP 24 HB2 TRP 24 2.310 -4.437 8.639 213 HB3 TRP 24 HB3 TRP 24 2.119 -4.494 6.902 214 HD1 TRP 24 HD1 TRP 24 0.263 -5.030 10.112 215 HE1 TRP 24 HE1 TRP 24 -2.205 -5.473 9.646 216 HE3 TRP 24 HE3 TRP 24 0.551 -6.026 5.105 217 HZ2 TRP 24 HZ2 TRP 24 -3.901 -5.745 7.283 218 HZ3 TRP 24 HZ3 TRP 24 -1.512 -6.366 3.771 219 HH2 TRP 24 HH2 TRP 24 -3.722 -6.210 4.830 220 H GLU 25 H GLU 25 2.026 -8.699 8.172 221 HA GLU 25 HA GLU 25 1.471 -9.323 5.378 222 HB2 GLU 25 HB2 GLU 25 2.320 -11.464 7.282 223 HB3 GLU 25 HB3 GLU 25 2.657 -11.185 5.582 224 HG2 GLU 25 HG2 GLU 25 4.383 -9.496 6.240 225 HG3 GLU 25 HG3 GLU 25 4.125 -9.949 7.928 226 H LYS 26 H LYS 26 -0.653 -10.224 5.210 227 HA LYS 26 HA LYS 26 -2.091 -10.848 7.749 228 HB2 LYS 26 HB2 LYS 26 -2.206 -8.496 6.501 229 HB3 LYS 26 HB3 LYS 26 -3.331 -9.336 5.456 230 HG2 LYS 26 HG2 LYS 26 -3.788 -9.660 8.421 231 HG3 LYS 26 HG3 LYS 26 -3.923 -8.019 7.828 232 HD2 LYS 26 HD2 LYS 26 -5.498 -8.710 6.089 233 HD3 LYS 26 HD3 LYS 26 -5.426 -10.368 6.645 234 HE2 LYS 26 HE2 LYS 26 -6.125 -9.348 8.973 235 HE3 LYS 26 HE3 LYS 26 -6.607 -7.957 7.991 236 HZ1 LYS 26 HZ1 LYS 26 -8.493 -9.303 8.102 237 HZ2 LYS 26 HZ2 LYS 26 -7.674 -10.692 7.968 238 HZ3 LYS 26 HZ3 LYS 26 -7.850 -9.731 6.628 239 H GLU 27 H GLU 27 -4.259 -12.012 7.226 240 HA GLU 27 HA GLU 27 -3.800 -14.203 5.391 241 HB2 GLU 27 HB2 GLU 27 -5.467 -13.702 7.578 242 HB3 GLU 27 HB3 GLU 27 -6.596 -13.869 6.276 243 HG2 GLU 27 HG2 GLU 27 -4.424 -15.847 7.101 244 HG3 GLU 27 HG3 GLU 27 -6.128 -15.966 7.527 245 H VAL 28 H VAL 28 -5.916 -14.743 4.132 246 HA VAL 28 HA VAL 28 -5.830 -12.830 1.872 247 HB VAL 28 HB VAL 28 -6.344 -15.834 1.888 248 HG11 VAL 28 HG11 VAL 28 -7.110 -14.846 -0.188 249 HG12 VAL 28 HG12 VAL 28 -5.667 -13.822 -0.307 250 HG13 VAL 28 HG13 VAL 28 -5.552 -15.584 -0.527 251 HG21 VAL 28 HG21 VAL 28 -3.754 -14.292 1.490 252 HG22 VAL 28 HG22 VAL 28 -4.099 -15.458 2.784 253 HG23 VAL 28 HG23 VAL 28 -3.972 -16.022 1.128 254 H SER 29 H SER 29 -7.485 -12.070 3.712 255 HA SER 29 HA SER 29 -10.290 -12.801 3.037 256 HB2 SER 29 HB2 SER 29 -9.296 -13.077 5.403 257 HB3 SER 29 HB3 SER 29 -9.153 -11.335 5.452 258 HG SER 29 HG SER 29 -11.001 -11.435 6.256 259 H GLU 30 H GLU 30 -11.586 -10.540 3.793 260 HA GLU 30 HA GLU 30 -10.110 -8.233 2.707 261 HB2 GLU 30 HB2 GLU 30 -11.802 -7.264 1.674 262 HB3 GLU 30 HB3 GLU 30 -12.195 -8.952 1.350 263 HG2 GLU 30 HG2 GLU 30 -13.919 -8.830 3.152 264 HG3 GLU 30 HG3 GLU 30 -13.517 -7.128 3.412 265 H PHE 31 H PHE 31 -10.698 -6.249 3.691 266 HA PHE 31 HA PHE 31 -12.318 -6.173 6.014 267 HB2 PHE 31 HB2 PHE 31 -10.618 -5.170 7.509 268 HB3 PHE 31 HB3 PHE 31 -10.318 -6.856 7.172 269 HD1 PHE 31 HD1 PHE 31 -8.431 -7.574 5.664 270 HD2 PHE 31 HD2 PHE 31 -9.017 -3.440 6.844 271 HE1 PHE 31 HE1 PHE 31 -6.117 -7.023 4.982 272 HE2 PHE 31 HE2 PHE 31 -6.703 -2.921 6.165 273 HZ PHE 31 HZ PHE 31 -5.257 -4.666 5.235 274 H ASP 32 H ASP 32 -11.539 -3.490 6.740 275 HA ASP 32 HA ASP 32 -11.370 -1.932 4.285 276 HB2 ASP 32 HB2 ASP 32 -13.285 -0.571 4.950 277 HB3 ASP 32 HB3 ASP 32 -13.780 -2.234 4.642 278 H TRP 33 H TRP 33 -10.473 0.132 4.757 279 HA TRP 33 HA TRP 33 -9.366 0.441 7.529 280 HB2 TRP 33 HB2 TRP 33 -7.865 -0.719 5.796 281 HB3 TRP 33 HB3 TRP 33 -7.821 0.809 4.935 282 HD1 TRP 33 HD1 TRP 33 -6.072 2.534 5.765 283 HE1 TRP 33 HE1 TRP 33 -4.221 2.551 7.553 284 HE3 TRP 33 HE3 TRP 33 -7.627 -1.472 8.507 285 HZ2 TRP 33 HZ2 TRP 33 -3.445 0.906 9.807 286 HZ3 TRP 33 HZ3 TRP 33 -6.364 -2.179 10.525 287 HH2 TRP 33 HH2 TRP 33 -4.248 -1.019 11.147 288 H TYR 34 H TYR 34 -8.976 2.499 8.241 289 HA TYR 34 HA TYR 34 -9.554 4.782 6.437 290 HB2 TYR 34 HB2 TYR 34 -11.226 4.764 8.189 291 HB3 TYR 34 HB3 TYR 34 -9.988 4.651 9.431 292 HD1 TYR 34 HD1 TYR 34 -10.786 6.863 6.471 293 HD2 TYR 34 HD2 TYR 34 -9.538 6.686 10.576 294 HE1 TYR 34 HE1 TYR 34 -10.726 9.352 6.548 295 HE2 TYR 34 HE2 TYR 34 -9.527 9.155 10.681 296 HH TYR 34 HH TYR 34 -10.938 11.126 8.273 297 H TYR 35 H TYR 35 -7.676 5.546 5.786 298 HA TYR 35 HA TYR 35 -5.184 5.345 7.384 299 HB2 TYR 35 HB2 TYR 35 -5.885 6.507 4.659 300 HB3 TYR 35 HB3 TYR 35 -4.282 6.642 5.385 301 HD1 TYR 35 HD1 TYR 35 -2.997 4.516 5.884 302 HD2 TYR 35 HD2 TYR 35 -6.523 4.605 3.426 303 HE1 TYR 35 HE1 TYR 35 -2.427 2.280 4.986 304 HE2 TYR 35 HE2 TYR 35 -5.907 2.464 2.404 305 HH TYR 35 HH TYR 35 -3.726 0.352 3.968 306 H ASP 36 H ASP 36 -5.553 6.769 9.227 307 HA ASP 36 HA ASP 36 -6.578 9.495 8.732 308 HB2 ASP 36 HB2 ASP 36 -7.336 8.101 10.696 309 HB3 ASP 36 HB3 ASP 36 -5.698 8.209 11.315 310 H THR 37 H THR 37 -3.770 8.280 7.839 311 HA THR 37 HA THR 37 -2.321 10.708 8.083 312 HB THR 37 HB THR 37 -0.396 8.957 9.237 313 HG1 THR 37 HG1 THR 37 -2.790 9.043 10.735 314 HG21 THR 37 HG21 THR 37 -0.384 11.336 9.525 315 HG22 THR 37 HG22 THR 37 -0.647 10.648 11.141 316 HG23 THR 37 HG23 THR 37 -2.019 11.322 10.216 317 H ASN 38 H ASN 38 -0.213 10.512 7.113 318 HA ASN 38 HA ASN 38 -0.169 9.296 4.514 319 HB2 ASN 38 HB2 ASN 38 2.268 10.207 6.033 320 HB3 ASN 38 HB3 ASN 38 1.899 10.206 4.310 321 HD21 ASN 38 HD21 ASN 38 1.892 12.014 7.242 322 HD22 ASN 38 HD22 ASN 38 1.107 13.454 6.635 323 H GLU 39 H GLU 39 -0.352 7.063 4.553 324 HA GLU 39 HA GLU 39 1.870 5.588 5.907 325 HB2 GLU 39 HB2 GLU 39 -0.411 4.712 6.474 326 HB3 GLU 39 HB3 GLU 39 -0.666 4.355 4.758 327 HG2 GLU 39 HG2 GLU 39 1.332 2.856 4.770 328 HG3 GLU 39 HG3 GLU 39 1.626 3.271 6.464 329 H THR 40 H THR 40 3.464 4.922 4.591 330 HA THR 40 HA THR 40 3.023 4.942 1.648 331 HB THR 40 HB THR 40 5.623 5.108 3.270 332 HG1 THR 40 HG1 THR 40 3.917 6.998 2.363 333 HG21 THR 40 HG21 THR 40 5.963 3.937 1.083 334 HG22 THR 40 HG22 THR 40 6.719 5.537 1.105 335 HG23 THR 40 HG23 THR 40 5.182 5.296 0.247 336 H CYS 41 H CYS 41 3.478 2.890 0.600 337 HA CYS 41 HA CYS 41 4.884 0.914 2.175 338 HB2 CYS 41 HB2 CYS 41 3.279 -0.906 1.676 339 HB3 CYS 41 HB3 CYS 41 2.665 0.237 2.869 340 HG CYS 41 HG CYS 41 0.557 0.069 1.717 341 H TYR 42 H TYR 42 5.609 -0.870 0.906 342 HA TYR 42 HA TYR 42 5.822 -0.311 -2.018 343 HB2 TYR 42 HB2 TYR 42 7.841 0.412 -0.777 344 HB3 TYR 42 HB3 TYR 42 7.923 -1.147 0.008 345 HD1 TYR 42 HD1 TYR 42 7.499 -0.038 -3.635 346 HD2 TYR 42 HD2 TYR 42 9.703 -2.414 -0.752 347 HE1 TYR 42 HE1 TYR 42 8.892 -0.962 -5.427 348 HE2 TYR 42 HE2 TYR 42 11.112 -3.316 -2.564 349 HH TYR 42 HH TYR 42 11.384 -3.456 -4.940 350 H ILE 43 H ILE 43 4.718 -1.968 -3.008 351 HA ILE 43 HA ILE 43 4.186 -4.383 -1.475 352 HB ILE 43 HB ILE 43 3.379 -3.703 -4.307 353 HG12 ILE 43 HG12 ILE 43 2.567 -1.867 -2.933 354 HG13 ILE 43 HG13 ILE 43 1.249 -2.860 -3.502 355 HG21 ILE 43 HG21 ILE 43 1.517 -5.276 -3.807 356 HG22 ILE 43 HG22 ILE 43 3.083 -6.070 -3.730 357 HG23 ILE 43 HG23 ILE 43 2.261 -5.646 -2.224 358 HD11 ILE 43 HD11 ILE 43 1.024 -3.903 -1.288 359 HD12 ILE 43 HD12 ILE 43 2.430 -2.973 -0.694 360 HD13 ILE 43 HD13 ILE 43 0.943 -2.138 -1.164 361 H LEU 44 H LEU 44 5.526 -6.110 -1.441 362 HA LEU 44 HA LEU 44 7.439 -6.516 -3.685 363 HB2 LEU 44 HB2 LEU 44 7.059 -7.892 -0.972 364 HB3 LEU 44 HB3 LEU 44 8.306 -8.350 -2.120 365 HG LEU 44 HG LEU 44 8.128 -5.566 -0.954 366 HD11 LEU 44 HD11 LEU 44 8.332 -7.210 0.879 367 HD12 LEU 44 HD12 LEU 44 9.858 -6.320 0.680 368 HD13 LEU 44 HD13 LEU 44 9.706 -7.969 0.054 369 HD21 LEU 44 HD21 LEU 44 10.415 -7.071 -2.289 370 HD22 LEU 44 HD22 LEU 44 10.531 -5.461 -1.546 371 HD23 LEU 44 HD23 LEU 44 9.507 -5.702 -2.972 372 H GLU 45 H GLU 45 4.564 -8.097 -2.261 373 HA GLU 45 HA GLU 45 4.357 -9.835 -4.564 374 HB2 GLU 45 HB2 GLU 45 4.620 -11.938 -3.381 375 HB3 GLU 45 HB3 GLU 45 6.108 -11.009 -3.446 376 HG2 GLU 45 HG2 GLU 45 5.488 -10.133 -1.070 377 HG3 GLU 45 HG3 GLU 45 4.286 -11.423 -1.049 378 H GLY 46 H GLY 46 2.422 -11.254 -4.312 379 HA2 GLY 46 HA2 GLY 46 0.277 -11.734 -3.609 380 HA3 GLY 46 HA3 GLY 46 0.431 -10.614 -2.273 381 H LYS 47 H LYS 47 -1.880 -10.173 -3.137 382 HA LYS 47 HA LYS 47 -1.863 -8.053 -5.231 383 HB2 LYS 47 HB2 LYS 47 -2.500 -10.550 -5.995 384 HB3 LYS 47 HB3 LYS 47 -4.003 -10.140 -5.171 385 HG2 LYS 47 HG2 LYS 47 -2.781 -8.823 -7.628 386 HG3 LYS 47 HG3 LYS 47 -4.222 -9.826 -7.516 387 HD2 LYS 47 HD2 LYS 47 -5.156 -7.926 -5.987 388 HD3 LYS 47 HD3 LYS 47 -3.906 -6.949 -6.755 389 HE2 LYS 47 HE2 LYS 47 -6.353 -8.283 -7.953 390 HE3 LYS 47 HE3 LYS 47 -5.915 -6.585 -7.954 391 HZ1 LYS 47 HZ1 LYS 47 -4.082 -7.290 -9.543 392 HZ2 LYS 47 HZ2 LYS 47 -5.614 -7.451 -10.080 393 HZ3 LYS 47 HZ3 LYS 47 -4.819 -8.786 -9.612 394 H VAL 48 H VAL 48 -3.382 -6.483 -4.758 395 HA VAL 48 HA VAL 48 -5.317 -7.034 -2.626 396 HB VAL 48 HB VAL 48 -3.322 -4.716 -2.582 397 HG11 VAL 48 HG11 VAL 48 -5.658 -5.065 -0.650 398 HG12 VAL 48 HG12 VAL 48 -4.342 -3.892 -0.508 399 HG13 VAL 48 HG13 VAL 48 -5.456 -3.756 -1.840 400 HG21 VAL 48 HG21 VAL 48 -3.831 -6.897 -0.526 401 HG22 VAL 48 HG22 VAL 48 -2.427 -6.781 -1.609 402 HG23 VAL 48 HG23 VAL 48 -2.671 -5.552 -0.380 403 H GLU 49 H GLU 49 -7.040 -5.528 -2.591 404 HA GLU 49 HA GLU 49 -7.504 -3.952 -5.043 405 HB2 GLU 49 HB2 GLU 49 -8.686 -6.446 -4.335 406 HB3 GLU 49 HB3 GLU 49 -9.890 -5.221 -3.963 407 HG2 GLU 49 HG2 GLU 49 -9.274 -4.397 -6.441 408 HG3 GLU 49 HG3 GLU 49 -8.685 -6.033 -6.611 409 H VAL 50 H VAL 50 -7.153 -1.998 -4.062 410 HA VAL 50 HA VAL 50 -8.981 -1.205 -2.096 411 HB VAL 50 HB VAL 50 -7.294 0.767 -2.243 412 HG11 VAL 50 HG11 VAL 50 -7.696 -1.183 -0.074 413 HG12 VAL 50 HG12 VAL 50 -6.932 0.426 0.124 414 HG13 VAL 50 HG13 VAL 50 -8.617 0.315 -0.416 415 HG21 VAL 50 HG21 VAL 50 -5.521 -1.267 -1.437 416 HG22 VAL 50 HG22 VAL 50 -5.500 -0.599 -3.116 417 HG23 VAL 50 HG23 VAL 50 -5.234 0.459 -1.655 418 H THR 51 H THR 51 -10.635 -1.345 -3.269 419 HA THR 51 HA THR 51 -11.266 0.844 -5.152 420 HB THR 51 HB THR 51 -13.135 -1.028 -3.685 421 HG1 THR 51 HG1 THR 51 -12.376 -2.488 -4.893 422 HG21 THR 51 HG21 THR 51 -13.405 0.525 -6.303 423 HG22 THR 51 HG22 THR 51 -14.219 0.926 -4.774 424 HG23 THR 51 HG23 THR 51 -14.612 -0.581 -5.606 425 H THR 52 H THR 52 -11.237 2.859 -4.276 426 HA THR 52 HA THR 52 -11.660 3.401 -1.457 427 HB THR 52 HB THR 52 -11.626 5.756 -2.199 428 HG1 THR 52 HG1 THR 52 -11.037 4.745 -4.793 429 HG21 THR 52 HG21 THR 52 -9.406 4.087 -3.432 430 HG22 THR 52 HG22 THR 52 -9.514 4.610 -1.739 431 HG23 THR 52 HG23 THR 52 -9.356 5.820 -3.025 432 H GLU 53 H GLU 53 -13.538 5.027 -0.821 433 HA GLU 53 HA GLU 53 -16.089 3.892 -1.574 434 HB2 GLU 53 HB2 GLU 53 -15.493 4.966 0.630 435 HB3 GLU 53 HB3 GLU 53 -15.333 6.508 -0.212 436 HG2 GLU 53 HG2 GLU 53 -17.405 6.508 0.867 437 HG3 GLU 53 HG3 GLU 53 -17.767 6.377 -0.832 438 H ASP 54 H ASP 54 -13.967 6.335 -2.869 439 HA ASP 54 HA ASP 54 -15.865 7.744 -4.504 440 HB2 ASP 54 HB2 ASP 54 -12.821 7.589 -4.610 441 HB3 ASP 54 HB3 ASP 54 -13.841 8.803 -5.410 442 H GLY 55 H GLY 55 -15.006 4.583 -4.744 443 HA2 GLY 55 HA2 GLY 55 -15.279 3.037 -6.394 444 HA3 GLY 55 HA3 GLY 55 -15.817 4.331 -7.484 445 H LYS 56 H LYS 56 -12.912 5.494 -6.598 446 HA LYS 56 HA LYS 56 -11.469 4.502 -8.920 447 HB2 LYS 56 HB2 LYS 56 -10.485 6.082 -6.494 448 HB3 LYS 56 HB3 LYS 56 -9.462 5.643 -7.866 449 HG2 LYS 56 HG2 LYS 56 -12.003 7.289 -8.051 450 HG3 LYS 56 HG3 LYS 56 -10.362 7.970 -7.973 451 HD2 LYS 56 HD2 LYS 56 -9.825 6.678 -10.091 452 HD3 LYS 56 HD3 LYS 56 -11.561 6.263 -10.191 453 HE2 LYS 56 HE2 LYS 56 -12.069 8.728 -10.158 454 HE3 LYS 56 HE3 LYS 56 -10.334 9.049 -10.258 455 HZ1 LYS 56 HZ1 LYS 56 -11.259 9.105 -12.445 456 HZ2 LYS 56 HZ2 LYS 56 -12.041 7.701 -12.233 457 HZ3 LYS 56 HZ3 LYS 56 -10.396 7.687 -12.349 458 H LYS 57 H LYS 57 -11.031 2.467 -8.993 459 HA LYS 57 HA LYS 57 -10.195 1.010 -6.624 460 HB2 LYS 57 HB2 LYS 57 -10.877 -0.877 -7.635 461 HB3 LYS 57 HB3 LYS 57 -11.877 0.198 -8.517 462 HG2 LYS 57 HG2 LYS 57 -9.156 -0.811 -9.524 463 HG3 LYS 57 HG3 LYS 57 -10.676 -1.622 -9.853 464 HD2 LYS 57 HD2 LYS 57 -10.544 1.322 -10.378 465 HD3 LYS 57 HD3 LYS 57 -9.652 0.254 -11.514 466 HE2 LYS 57 HE2 LYS 57 -11.739 -1.125 -11.757 467 HE3 LYS 57 HE3 LYS 57 -12.595 0.038 -10.753 468 HZ1 LYS 57 HZ1 LYS 57 -13.080 0.598 -12.897 469 HZ2 LYS 57 HZ2 LYS 57 -11.541 0.400 -13.457 470 HZ3 LYS 57 HZ3 LYS 57 -11.943 1.717 -12.504 471 H TYR 58 H TYR 58 -8.399 0.417 -6.001 472 HA TYR 58 HA TYR 58 -5.971 0.942 -7.607 473 HB2 TYR 58 HB2 TYR 58 -6.375 0.900 -4.615 474 HB3 TYR 58 HB3 TYR 58 -4.919 1.249 -5.469 475 HD1 TYR 58 HD1 TYR 58 -6.491 3.088 -7.636 476 HD2 TYR 58 HD2 TYR 58 -6.492 2.878 -3.339 477 HE1 TYR 58 HE1 TYR 58 -7.066 5.489 -7.523 478 HE2 TYR 58 HE2 TYR 58 -7.077 5.289 -3.235 479 HH TYR 58 HH TYR 58 -6.773 7.399 -5.870 480 H VAL 59 H VAL 59 -6.082 -0.942 -8.570 481 HA VAL 59 HA VAL 59 -5.697 -3.510 -7.146 482 HB VAL 59 HB VAL 59 -5.309 -2.581 -10.027 483 HG11 VAL 59 HG11 VAL 59 -5.032 -5.107 -10.386 484 HG12 VAL 59 HG12 VAL 59 -3.656 -4.235 -9.697 485 HG13 VAL 59 HG13 VAL 59 -4.713 -5.176 -8.627 486 HG21 VAL 59 HG21 VAL 59 -7.342 -4.481 -8.747 487 HG22 VAL 59 HG22 VAL 59 -7.694 -2.850 -9.354 488 HG23 VAL 59 HG23 VAL 59 -7.203 -4.107 -10.481 489 H ILE 60 H ILE 60 -3.736 -3.817 -6.200 490 HA ILE 60 HA ILE 60 -1.395 -2.445 -7.380 491 HB ILE 60 HB ILE 60 -0.367 -2.320 -5.076 492 HG12 ILE 60 HG12 ILE 60 -3.277 -2.585 -4.191 493 HG13 ILE 60 HG13 ILE 60 -1.880 -3.575 -3.743 494 HG21 ILE 60 HG21 ILE 60 -1.003 -0.424 -6.501 495 HG22 ILE 60 HG22 ILE 60 -2.608 -0.378 -5.717 496 HG23 ILE 60 HG23 ILE 60 -1.115 -0.063 -4.791 497 HD11 ILE 60 HD11 ILE 60 -2.447 -2.137 -1.897 498 HD12 ILE 60 HD12 ILE 60 -0.919 -1.540 -2.587 499 HD13 ILE 60 HD13 ILE 60 -2.461 -0.700 -2.918 500 H GLU 61 H GLU 61 0.389 -3.619 -7.541 501 HA GLU 61 HA GLU 61 0.068 -6.550 -7.138 502 HB2 GLU 61 HB2 GLU 61 1.047 -4.968 -9.558 503 HB3 GLU 61 HB3 GLU 61 1.174 -6.726 -9.396 504 HG2 GLU 61 HG2 GLU 61 -1.179 -7.045 -9.448 505 HG3 GLU 61 HG3 GLU 61 -1.501 -5.344 -9.182 506 H LYS 62 H LYS 62 2.311 -7.396 -7.814 507 HA LYS 62 HA LYS 62 4.055 -6.603 -5.645 508 HB2 LYS 62 HB2 LYS 62 5.297 -8.580 -6.230 509 HB3 LYS 62 HB3 LYS 62 3.557 -8.889 -6.262 510 HG2 LYS 62 HG2 LYS 62 3.874 -8.427 -8.850 511 HG3 LYS 62 HG3 LYS 62 5.586 -8.754 -8.457 512 HD2 LYS 62 HD2 LYS 62 5.269 -10.971 -8.056 513 HD3 LYS 62 HD3 LYS 62 3.674 -10.766 -7.368 514 HE2 LYS 62 HE2 LYS 62 3.237 -11.947 -9.314 515 HE3 LYS 62 HE3 LYS 62 2.805 -10.291 -9.743 516 HZ1 LYS 62 HZ1 LYS 62 4.886 -10.129 -10.968 517 HZ2 LYS 62 HZ2 LYS 62 4.080 -11.475 -11.440 518 HZ3 LYS 62 HZ3 LYS 62 5.358 -11.623 -10.449 519 H GLY 63 H GLY 63 4.169 -4.385 -6.740 520 HA2 GLY 63 HA2 GLY 63 6.834 -3.700 -7.183 521 HA3 GLY 63 HA3 GLY 63 6.213 -4.046 -8.806 522 H ASP 64 H ASP 64 4.287 -2.529 -6.135 523 HA ASP 64 HA ASP 64 4.405 0.067 -7.625 524 HB2 ASP 64 HB2 ASP 64 2.015 -1.219 -6.204 525 HB3 ASP 64 HB3 ASP 64 2.058 0.398 -6.918 526 H LEU 65 H LEU 65 4.752 1.842 -6.324 527 HA LEU 65 HA LEU 65 5.012 1.478 -3.392 528 HB2 LEU 65 HB2 LEU 65 6.920 2.530 -4.559 529 HB3 LEU 65 HB3 LEU 65 5.809 3.672 -5.327 530 HG LEU 65 HG LEU 65 5.206 4.397 -2.864 531 HD11 LEU 65 HD11 LEU 65 7.975 3.196 -2.418 532 HD12 LEU 65 HD12 LEU 65 6.472 2.533 -1.754 533 HD13 LEU 65 HD13 LEU 65 7.028 4.138 -1.257 534 HD21 LEU 65 HD21 LEU 65 6.463 5.704 -4.626 535 HD22 LEU 65 HD22 LEU 65 7.965 5.133 -3.869 536 HD23 LEU 65 HD23 LEU 65 6.824 6.110 -2.934 537 H VAL 66 H VAL 66 3.454 2.593 -2.138 538 HA VAL 66 HA VAL 66 1.499 4.318 -3.572 539 HB VAL 66 HB VAL 66 0.830 2.432 -1.277 540 HG11 VAL 66 HG11 VAL 66 -1.523 2.900 -1.958 541 HG12 VAL 66 HG12 VAL 66 -0.681 4.352 -1.420 542 HG13 VAL 66 HG13 VAL 66 -0.934 4.064 -3.154 543 HG21 VAL 66 HG21 VAL 66 1.323 0.998 -3.185 544 HG22 VAL 66 HG22 VAL 66 -0.417 1.064 -2.930 545 HG23 VAL 66 HG23 VAL 66 0.323 2.009 -4.250 546 H THR 67 H THR 67 1.067 6.231 -2.555 547 HA THR 67 HA THR 67 1.957 6.586 0.275 548 HB THR 67 HB THR 67 1.914 8.703 -1.910 549 HG1 THR 67 HG1 THR 67 3.693 7.517 -2.283 550 HG21 THR 67 HG21 THR 67 2.630 10.284 -0.356 551 HG22 THR 67 HG22 THR 67 3.267 9.072 0.759 552 HG23 THR 67 HG23 THR 67 1.523 9.344 0.674 553 H PHE 68 H PHE 68 -0.055 6.236 1.252 554 HA PHE 68 HA PHE 68 -2.516 7.286 0.085 555 HB2 PHE 68 HB2 PHE 68 -1.873 6.164 2.843 556 HB3 PHE 68 HB3 PHE 68 -3.477 6.622 2.305 557 HD1 PHE 68 HD1 PHE 68 -4.687 5.296 0.566 558 HD2 PHE 68 HD2 PHE 68 -0.819 4.074 2.034 559 HE1 PHE 68 HE1 PHE 68 -5.022 3.043 -0.409 560 HE2 PHE 68 HE2 PHE 68 -1.150 1.842 1.044 561 HZ PHE 68 HZ PHE 68 -3.255 1.283 -0.129 562 HA PRO 69 HA PRO 69 -1.933 11.346 1.926 563 HB2 PRO 69 HB2 PRO 69 -4.465 12.379 1.942 564 HB3 PRO 69 HB3 PRO 69 -3.602 12.005 0.432 565 HG2 PRO 69 HG2 PRO 69 -5.685 10.339 1.855 566 HG3 PRO 69 HG3 PRO 69 -5.559 10.714 0.113 567 HD2 PRO 69 HD2 PRO 69 -4.613 8.371 1.282 568 HD3 PRO 69 HD3 PRO 69 -3.960 9.068 -0.223 569 H LYS 70 H LYS 70 -3.661 12.655 3.751 570 HA LYS 70 HA LYS 70 -3.877 10.814 6.079 571 HB2 LYS 70 HB2 LYS 70 -2.384 12.759 6.427 572 HB3 LYS 70 HB3 LYS 70 -3.684 13.865 5.989 573 HG2 LYS 70 HG2 LYS 70 -4.941 13.327 7.967 574 HG3 LYS 70 HG3 LYS 70 -3.916 11.927 8.314 575 HD2 LYS 70 HD2 LYS 70 -1.970 13.314 8.691 576 HD3 LYS 70 HD3 LYS 70 -2.924 14.762 8.412 577 HE2 LYS 70 HE2 LYS 70 -3.602 12.664 10.529 578 HE3 LYS 70 HE3 LYS 70 -2.517 14.016 10.859 579 HZ1 LYS 70 HZ1 LYS 70 -5.288 14.425 9.929 580 HZ2 LYS 70 HZ2 LYS 70 -4.289 15.536 10.583 581 HZ3 LYS 70 HZ3 LYS 70 -4.894 14.295 11.502 582 H GLY 71 H GLY 71 -5.975 10.219 6.464 583 HA2 GLY 71 HA2 GLY 71 -8.191 10.283 6.737 584 HA3 GLY 71 HA3 GLY 71 -8.300 11.901 6.078 585 H LEU 72 H LEU 72 -8.084 8.441 5.261 586 HA LEU 72 HA LEU 72 -9.835 8.792 2.910 587 HB2 LEU 72 HB2 LEU 72 -7.661 8.771 1.912 588 HB3 LEU 72 HB3 LEU 72 -7.216 7.304 2.786 589 HG LEU 72 HG LEU 72 -9.735 7.135 1.089 590 HD11 LEU 72 HD11 LEU 72 -8.345 6.646 -0.892 591 HD12 LEU 72 HD12 LEU 72 -6.887 6.988 0.072 592 HD13 LEU 72 HD13 LEU 72 -8.019 8.305 -0.356 593 HD21 LEU 72 HD21 LEU 72 -7.485 5.218 1.546 594 HD22 LEU 72 HD22 LEU 72 -8.966 4.999 0.580 595 HD23 LEU 72 HD23 LEU 72 -9.080 5.229 2.334 596 H ARG 73 H ARG 73 -11.426 7.317 2.997 597 HA ARG 73 HA ARG 73 -10.997 4.905 4.703 598 HB2 ARG 73 HB2 ARG 73 -13.426 4.730 4.994 599 HB3 ARG 73 HB3 ARG 73 -12.715 6.058 5.867 600 HG2 ARG 73 HG2 ARG 73 -14.179 6.439 3.212 601 HG3 ARG 73 HG3 ARG 73 -14.963 6.441 4.791 602 HD2 ARG 73 HD2 ARG 73 -13.399 8.287 5.500 603 HD3 ARG 73 HD3 ARG 73 -12.870 8.426 3.835 604 HE ARG 73 HE ARG 73 -15.366 8.754 3.294 605 HH11 ARG 73 HH11 ARG 73 -13.755 10.070 6.212 606 HH12 ARG 73 HH12 ARG 73 -15.004 11.210 6.504 607 HH21 ARG 73 HH21 ARG 73 -16.996 10.236 3.746 608 HH22 ARG 73 HH22 ARG 73 -16.830 11.337 5.104 609 H CYS 74 H CYS 74 -11.007 3.029 3.628 610 HA CYS 74 HA CYS 74 -12.609 2.791 1.172 611 HB2 CYS 74 HB2 CYS 74 -10.649 1.999 -0.112 612 HB3 CYS 74 HB3 CYS 74 -10.472 3.660 0.406 613 HG CYS 74 HG CYS 74 -9.225 0.906 1.780 614 H ARG 75 H ARG 75 -12.192 0.431 0.274 615 HA ARG 75 HA ARG 75 -12.364 -1.430 2.565 616 HB2 ARG 75 HB2 ARG 75 -13.406 -1.411 -0.157 617 HB3 ARG 75 HB3 ARG 75 -12.346 -2.777 -0.023 618 HG2 ARG 75 HG2 ARG 75 -14.187 -3.830 0.812 619 HG3 ARG 75 HG3 ARG 75 -13.525 -3.250 2.307 620 HD2 ARG 75 HD2 ARG 75 -15.944 -2.600 0.862 621 HD3 ARG 75 HD3 ARG 75 -15.691 -2.589 2.614 622 HE ARG 75 HE ARG 75 -14.381 -0.390 1.283 623 HH11 ARG 75 HH11 ARG 75 -17.474 -1.169 2.853 624 HH12 ARG 75 HH12 ARG 75 -18.275 0.236 2.172 625 HH21 ARG 75 HH21 ARG 75 -15.523 1.424 0.406 626 HH22 ARG 75 HH22 ARG 75 -17.027 1.907 1.091 627 H TRP 76 H TRP 76 -11.199 -3.620 1.926 628 HA TRP 76 HA TRP 76 -8.606 -3.177 0.662 629 HB2 TRP 76 HB2 TRP 76 -8.796 -2.975 3.535 630 HB3 TRP 76 HB3 TRP 76 -7.901 -4.425 3.141 631 HD1 TRP 76 HD1 TRP 76 -7.773 -0.671 2.280 632 HE1 TRP 76 HE1 TRP 76 -5.308 0.022 2.046 633 HE3 TRP 76 HE3 TRP 76 -5.580 -5.273 2.633 634 HZ2 TRP 76 HZ2 TRP 76 -2.844 -1.260 1.487 635 HZ3 TRP 76 HZ3 TRP 76 -3.168 -5.521 2.151 636 HH2 TRP 76 HH2 TRP 76 -1.807 -3.523 1.512 637 H LYS 77 H LYS 77 -9.368 -4.879 -0.794 638 HA LYS 77 HA LYS 77 -10.055 -7.539 0.371 639 HB2 LYS 77 HB2 LYS 77 -10.927 -6.299 -1.956 640 HB3 LYS 77 HB3 LYS 77 -9.592 -7.270 -2.544 641 HG2 LYS 77 HG2 LYS 77 -11.321 -8.727 -2.832 642 HG3 LYS 77 HG3 LYS 77 -10.727 -9.240 -1.245 643 HD2 LYS 77 HD2 LYS 77 -12.566 -7.603 -0.392 644 HD3 LYS 77 HD3 LYS 77 -13.200 -7.640 -2.018 645 HE2 LYS 77 HE2 LYS 77 -12.597 -10.272 -0.638 646 HE3 LYS 77 HE3 LYS 77 -14.033 -9.374 -0.155 647 HZ1 LYS 77 HZ1 LYS 77 -13.480 -10.306 -2.890 648 HZ2 LYS 77 HZ2 LYS 77 -14.815 -9.424 -2.402 649 HZ3 LYS 77 HZ3 LYS 77 -14.558 -10.933 -1.831 650 H VAL 78 H VAL 78 -8.302 -8.911 0.921 651 HA VAL 78 HA VAL 78 -5.707 -8.480 -0.460 652 HB VAL 78 HB VAL 78 -6.211 -10.498 1.745 653 HG11 VAL 78 HG11 VAL 78 -4.277 -10.941 0.484 654 HG12 VAL 78 HG12 VAL 78 -3.700 -9.261 0.590 655 HG13 VAL 78 HG13 VAL 78 -3.765 -10.296 2.038 656 HG21 VAL 78 HG21 VAL 78 -6.671 -8.194 2.703 657 HG22 VAL 78 HG22 VAL 78 -5.128 -8.824 3.301 658 HG23 VAL 78 HG23 VAL 78 -5.147 -7.616 2.002 659 H LEU 79 H LEU 79 -6.110 -9.265 -2.452 660 HA LEU 79 HA LEU 79 -7.889 -11.573 -2.849 661 HB2 LEU 79 HB2 LEU 79 -6.067 -10.096 -4.781 662 HB3 LEU 79 HB3 LEU 79 -7.147 -11.412 -5.219 663 HG LEU 79 HG LEU 79 -7.856 -8.619 -4.254 664 HD11 LEU 79 HD11 LEU 79 -8.868 -8.405 -6.427 665 HD12 LEU 79 HD12 LEU 79 -8.772 -10.155 -6.722 666 HD13 LEU 79 HD13 LEU 79 -7.304 -9.196 -6.687 667 HD21 LEU 79 HD21 LEU 79 -10.267 -9.372 -4.588 668 HD22 LEU 79 HD22 LEU 79 -9.462 -10.014 -3.130 669 HD23 LEU 79 HD23 LEU 79 -9.668 -11.045 -4.539 670 H GLU 80 H GLU 80 -4.420 -10.954 -2.420 671 HA GLU 80 HA GLU 80 -4.014 -13.794 -2.088 672 HB2 GLU 80 HB2 GLU 80 -2.591 -11.997 -4.125 673 HB3 GLU 80 HB3 GLU 80 -1.790 -13.418 -3.520 674 HG2 GLU 80 HG2 GLU 80 -4.416 -13.403 -5.081 675 HG3 GLU 80 HG3 GLU 80 -2.822 -13.728 -5.725 676 HA PRO 81 HA PRO 81 -2.036 -12.361 1.392 677 HB2 PRO 81 HB2 PRO 81 0.174 -13.975 1.818 678 HB3 PRO 81 HB3 PRO 81 -1.514 -14.503 2.046 679 HG2 PRO 81 HG2 PRO 81 0.274 -14.918 -0.356 680 HG3 PRO 81 HG3 PRO 81 -0.811 -16.105 0.428 681 HD2 PRO 81 HD2 PRO 81 -1.496 -14.774 -1.818 682 HD3 PRO 81 HD3 PRO 81 -2.723 -15.161 -0.586 683 H VAL 82 H VAL 82 -1.239 -10.324 1.337 684 HA VAL 82 HA VAL 82 0.930 -9.740 -0.547 685 HB VAL 82 HB VAL 82 -1.193 -8.421 -0.465 686 HG11 VAL 82 HG11 VAL 82 -1.626 -8.241 1.906 687 HG12 VAL 82 HG12 VAL 82 -0.097 -7.371 2.174 688 HG13 VAL 82 HG13 VAL 82 -1.411 -6.633 1.233 689 HG21 VAL 82 HG21 VAL 82 -0.151 -6.222 -0.741 690 HG22 VAL 82 HG22 VAL 82 1.374 -6.849 -0.038 691 HG23 VAL 82 HG23 VAL 82 0.723 -7.486 -1.561 692 H ARG 83 H ARG 83 2.888 -8.836 0.065 693 HA ARG 83 HA ARG 83 3.355 -8.470 2.962 694 HB2 ARG 83 HB2 ARG 83 4.911 -10.279 1.162 695 HB3 ARG 83 HB3 ARG 83 5.873 -9.149 2.094 696 HG2 ARG 83 HG2 ARG 83 4.869 -9.801 4.166 697 HG3 ARG 83 HG3 ARG 83 3.706 -10.871 3.374 698 HD2 ARG 83 HD2 ARG 83 6.492 -11.559 2.657 699 HD3 ARG 83 HD3 ARG 83 6.300 -11.442 4.335 700 HE ARG 83 HE ARG 83 5.279 -13.298 4.563 701 HH11 ARG 83 HH11 ARG 83 4.813 -12.625 1.150 702 HH12 ARG 83 HH12 ARG 83 3.488 -13.697 0.915 703 HH21 ARG 83 HH21 ARG 83 3.934 -14.995 4.249 704 HH22 ARG 83 HH22 ARG 83 3.011 -15.229 2.793 705 H LYS 84 H LYS 84 4.172 -6.563 3.396 706 HA LYS 84 HA LYS 84 5.583 -5.073 1.380 707 HB2 LYS 84 HB2 LYS 84 4.232 -3.259 1.134 708 HB3 LYS 84 HB3 LYS 84 3.066 -4.552 1.092 709 HG2 LYS 84 HG2 LYS 84 3.551 -2.489 3.262 710 HG3 LYS 84 HG3 LYS 84 2.154 -2.683 2.223 711 HD2 LYS 84 HD2 LYS 84 1.793 -4.934 3.539 712 HD3 LYS 84 HD3 LYS 84 2.922 -4.178 4.683 713 HE2 LYS 84 HE2 LYS 84 0.961 -3.409 5.586 714 HE3 LYS 84 HE3 LYS 84 1.421 -2.076 4.530 715 HZ1 LYS 84 HZ1 LYS 84 -0.684 -4.054 4.146 716 HZ2 LYS 84 HZ2 LYS 84 -0.085 -3.209 2.857 717 HZ3 LYS 84 HZ3 LYS 84 -0.774 -2.417 4.159 718 H HIS 85 H HIS 85 6.982 -3.677 2.317 719 HA HIS 85 HA HIS 85 7.101 -3.229 5.224 720 HB2 HIS 85 HB2 HIS 85 8.515 -2.200 2.739 721 HB3 HIS 85 HB3 HIS 85 8.827 -1.495 4.298 722 HD1 HIS 85 HD1 HIS 85 9.280 -4.873 2.512 723 HD2 HIS 85 HD2 HIS 85 10.316 -2.824 6.020 724 HE1 HIS 85 HE1 HIS 85 11.148 -6.273 3.687 725 H TYR 86 H TYR 86 5.924 -1.567 6.110 726 HA TYR 86 HA TYR 86 4.715 0.452 4.333 727 HB2 TYR 86 HB2 TYR 86 2.805 0.718 5.707 728 HB3 TYR 86 HB3 TYR 86 2.874 -0.992 5.299 729 HD1 TYR 86 HD1 TYR 86 4.064 -2.548 7.133 730 HD2 TYR 86 HD2 TYR 86 2.490 1.408 7.934 731 HE1 TYR 86 HE1 TYR 86 4.100 -3.011 9.555 732 HE2 TYR 86 HE2 TYR 86 2.550 0.935 10.353 733 HH TYR 86 HH TYR 86 2.610 -1.354 11.883 734 H ASN 87 H ASN 87 4.565 2.568 5.558 735 HA ASN 87 HA ASN 87 5.780 2.599 8.174 736 HB2 ASN 87 HB2 ASN 87 7.741 2.790 6.550 737 HB3 ASN 87 HB3 ASN 87 7.082 4.354 6.044 738 HD21 ASN 87 HD21 ASN 87 9.504 4.554 6.942 739 HD22 ASN 87 HD22 ASN 87 9.578 5.116 8.613 740 H LEU 88 H LEU 88 5.348 4.649 9.197 741 HA LEU 88 HA LEU 88 3.040 6.124 7.993 742 HB2 LEU 88 HB2 LEU 88 3.806 5.662 10.910 743 HB3 LEU 88 HB3 LEU 88 2.505 6.718 10.382 744 HG LEU 88 HG LEU 88 2.580 3.712 9.817 745 HD11 LEU 88 HD11 LEU 88 0.996 5.248 11.927 746 HD12 LEU 88 HD12 LEU 88 2.390 4.212 12.260 747 HD13 LEU 88 HD13 LEU 88 0.905 3.507 11.602 748 HD21 LEU 88 HD21 LEU 88 0.202 4.002 9.287 749 HD22 LEU 88 HD22 LEU 88 1.210 4.960 8.203 750 HD23 LEU 88 HD23 LEU 88 0.335 5.760 9.531 751 H PHE 89 H PHE 89 3.033 8.435 8.481 752 HA PHE 89 HA PHE 89 5.119 9.528 10.042 753 HB2 PHE 89 HB2 PHE 89 5.951 11.225 8.465 754 HB3 PHE 89 HB3 PHE 89 6.471 9.596 8.089 755 HD1 PHE 89 HD1 PHE 89 5.140 8.320 6.235 756 HD2 PHE 89 HD2 PHE 89 5.068 12.602 6.730 757 HE1 PHE 89 HE1 PHE 89 4.513 8.577 3.891 758 HE2 PHE 89 HE2 PHE 89 4.447 12.865 4.352 759 HZ PHE 89 HZ PHE 89 4.175 10.849 2.899 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -5.984 15.566 -1.971 2 HA MET 1 HA MET 1 -5.513 13.606 0.163 3 HB2 MET 1 HB2 MET 1 -6.707 15.698 0.682 4 HB3 MET 1 HB3 MET 1 -7.899 15.330 -0.564 5 HG2 MET 1 HG2 MET 1 -8.568 13.295 0.739 6 HG3 MET 1 HG3 MET 1 -7.458 13.793 2.024 7 HE1 MET 1 HE1 MET 1 -10.848 13.312 1.657 8 HE2 MET 1 HE2 MET 1 -10.042 13.329 3.242 9 HE3 MET 1 HE3 MET 1 -11.413 14.421 2.923 10 H GLU 2 H GLU 2 -4.988 11.898 -1.513 11 HA GLU 2 HA GLU 2 -7.236 10.331 -2.305 12 HB2 GLU 2 HB2 GLU 2 -7.188 12.150 -4.029 13 HB3 GLU 2 HB3 GLU 2 -5.524 11.730 -4.415 14 HG2 GLU 2 HG2 GLU 2 -6.261 9.561 -5.303 15 HG3 GLU 2 HG3 GLU 2 -7.884 9.811 -4.651 16 H VAL 3 H VAL 3 -6.259 8.380 -3.404 17 HA VAL 3 HA VAL 3 -3.883 7.341 -2.153 18 HB VAL 3 HB VAL 3 -5.393 6.490 -4.669 19 HG11 VAL 3 HG11 VAL 3 -4.510 4.217 -4.117 20 HG12 VAL 3 HG12 VAL 3 -3.197 5.375 -4.350 21 HG13 VAL 3 HG13 VAL 3 -3.652 4.901 -2.714 22 HG21 VAL 3 HG21 VAL 3 -7.068 6.544 -2.942 23 HG22 VAL 3 HG22 VAL 3 -6.618 4.863 -3.210 24 HG23 VAL 3 HG23 VAL 3 -5.987 5.725 -1.789 25 H LYS 4 H LYS 4 -1.750 7.346 -3.009 26 HA LYS 4 HA LYS 4 -1.370 8.649 -5.664 27 HB2 LYS 4 HB2 LYS 4 -0.899 10.035 -3.497 28 HB3 LYS 4 HB3 LYS 4 0.522 9.042 -3.351 29 HG2 LYS 4 HG2 LYS 4 1.578 9.930 -5.165 30 HG3 LYS 4 HG3 LYS 4 0.082 10.284 -6.044 31 HD2 LYS 4 HD2 LYS 4 -0.352 12.260 -4.827 32 HD3 LYS 4 HD3 LYS 4 0.821 11.860 -3.565 33 HE2 LYS 4 HE2 LYS 4 2.678 12.083 -5.149 34 HE3 LYS 4 HE3 LYS 4 1.545 12.401 -6.469 35 HZ1 LYS 4 HZ1 LYS 4 0.896 14.446 -5.382 36 HZ2 LYS 4 HZ2 LYS 4 2.535 14.424 -5.532 37 HZ3 LYS 4 HZ3 LYS 4 1.864 14.134 -4.090 38 H ILE 5 H ILE 5 -1.120 6.774 -6.686 39 HA ILE 5 HA ILE 5 0.829 4.759 -5.725 40 HB ILE 5 HB ILE 5 -0.953 4.679 -8.203 41 HG12 ILE 5 HG12 ILE 5 -1.401 3.703 -5.366 42 HG13 ILE 5 HG13 ILE 5 -2.407 4.788 -6.328 43 HG21 ILE 5 HG21 ILE 5 0.689 2.520 -6.792 44 HG22 ILE 5 HG22 ILE 5 -0.422 2.216 -8.137 45 HG23 ILE 5 HG23 ILE 5 1.004 3.202 -8.391 46 HD11 ILE 5 HD11 ILE 5 -3.057 2.904 -7.786 47 HD12 ILE 5 HD12 ILE 5 -2.139 1.802 -6.721 48 HD13 ILE 5 HD13 ILE 5 -3.505 2.715 -6.071 49 H GLU 6 H GLU 6 2.787 4.449 -6.851 50 HA GLU 6 HA GLU 6 2.907 5.284 -9.548 51 HB2 GLU 6 HB2 GLU 6 5.015 6.446 -9.519 52 HB3 GLU 6 HB3 GLU 6 3.719 7.383 -8.770 53 HG2 GLU 6 HG2 GLU 6 4.705 7.006 -6.579 54 HG3 GLU 6 HG3 GLU 6 5.812 5.794 -7.279 55 H LYS 7 H LYS 7 5.274 4.545 -10.430 56 HA LYS 7 HA LYS 7 5.977 2.083 -8.990 57 HB2 LYS 7 HB2 LYS 7 6.168 0.932 -11.063 58 HB3 LYS 7 HB3 LYS 7 4.661 1.149 -10.180 59 HG2 LYS 7 HG2 LYS 7 4.671 3.289 -12.050 60 HG3 LYS 7 HG3 LYS 7 5.342 1.847 -12.795 61 HD2 LYS 7 HD2 LYS 7 3.309 0.545 -12.141 62 HD3 LYS 7 HD3 LYS 7 2.762 1.909 -11.164 63 HE2 LYS 7 HE2 LYS 7 1.416 1.874 -13.106 64 HE3 LYS 7 HE3 LYS 7 2.492 3.277 -13.226 65 HZ1 LYS 7 HZ1 LYS 7 3.864 2.039 -14.763 66 HZ2 LYS 7 HZ2 LYS 7 2.311 1.972 -15.282 67 HZ3 LYS 7 HZ3 LYS 7 2.966 0.676 -14.544 68 HA PRO 8 HA PRO 8 9.651 4.624 -9.576 69 HB2 PRO 8 HB2 PRO 8 10.742 4.255 -7.061 70 HB3 PRO 8 HB3 PRO 8 9.370 5.346 -7.401 71 HG2 PRO 8 HG2 PRO 8 9.295 2.559 -6.212 72 HG3 PRO 8 HG3 PRO 8 8.338 4.010 -5.813 73 HD2 PRO 8 HD2 PRO 8 7.583 1.887 -7.445 74 HD3 PRO 8 HD3 PRO 8 6.784 3.467 -7.406 75 H THR 9 H THR 9 11.979 4.283 -9.433 76 HA THR 9 HA THR 9 13.002 1.807 -10.355 77 HB THR 9 HB THR 9 13.981 3.923 -10.951 78 HG1 THR 9 HG1 THR 9 16.194 3.531 -10.117 79 HG21 THR 9 HG21 THR 9 13.503 5.100 -8.772 80 HG22 THR 9 HG22 THR 9 15.092 5.386 -9.460 81 HG23 THR 9 HG23 THR 9 14.901 4.252 -8.095 82 HA PRO 10 HA PRO 10 13.505 -0.156 -6.435 83 HB2 PRO 10 HB2 PRO 10 15.372 -2.096 -6.970 84 HB3 PRO 10 HB3 PRO 10 13.694 -2.150 -7.599 85 HG2 PRO 10 HG2 PRO 10 16.168 -1.146 -9.035 86 HG3 PRO 10 HG3 PRO 10 14.906 -2.270 -9.638 87 HD2 PRO 10 HD2 PRO 10 14.820 0.348 -10.255 88 HD3 PRO 10 HD3 PRO 10 13.323 -0.572 -9.898 89 H GLU 11 H GLU 11 16.188 1.350 -8.062 90 HA GLU 11 HA GLU 11 18.194 1.054 -6.128 91 HB2 GLU 11 HB2 GLU 11 17.708 2.437 -8.609 92 HB3 GLU 11 HB3 GLU 11 18.274 3.652 -7.510 93 HG2 GLU 11 HG2 GLU 11 19.817 1.053 -7.580 94 HG3 GLU 11 HG3 GLU 11 19.818 1.984 -9.049 95 H LYS 12 H LYS 12 16.015 3.950 -6.561 96 HA LYS 12 HA LYS 12 16.784 5.129 -4.114 97 HB2 LYS 12 HB2 LYS 12 15.551 6.263 -5.955 98 HB3 LYS 12 HB3 LYS 12 14.079 5.398 -5.506 99 HG2 LYS 12 HG2 LYS 12 13.691 6.730 -3.679 100 HG3 LYS 12 HG3 LYS 12 15.387 6.799 -3.225 101 HD2 LYS 12 HD2 LYS 12 15.825 8.448 -5.039 102 HD3 LYS 12 HD3 LYS 12 14.086 8.466 -5.428 103 HE2 LYS 12 HE2 LYS 12 13.577 9.278 -3.153 104 HE3 LYS 12 HE3 LYS 12 15.272 9.109 -2.695 105 HZ1 LYS 12 HZ1 LYS 12 14.730 11.377 -3.149 106 HZ2 LYS 12 HZ2 LYS 12 14.233 11.071 -4.658 107 HZ3 LYS 12 HZ3 LYS 12 15.827 10.858 -4.250 108 H LEU 13 H LEU 13 14.511 2.493 -4.686 109 HA LEU 13 HA LEU 13 13.296 2.661 -2.039 110 HB2 LEU 13 HB2 LEU 13 13.267 0.617 -4.268 111 HB3 LEU 13 HB3 LEU 13 12.784 0.152 -2.655 112 HG LEU 13 HG LEU 13 10.879 0.791 -4.078 113 HD11 LEU 13 HD11 LEU 13 10.593 1.052 -1.677 114 HD12 LEU 13 HD12 LEU 13 9.724 2.300 -2.561 115 HD13 LEU 13 HD13 LEU 13 11.232 2.716 -1.742 116 HD21 LEU 13 HD21 LEU 13 10.443 3.240 -4.497 117 HD22 LEU 13 HD22 LEU 13 11.673 2.474 -5.493 118 HD23 LEU 13 HD23 LEU 13 12.142 3.555 -4.168 119 H LYS 14 H LYS 14 16.094 0.812 -3.423 120 HA LYS 14 HA LYS 14 16.772 -0.511 -1.003 121 HB2 LYS 14 HB2 LYS 14 18.093 0.152 -3.587 122 HB3 LYS 14 HB3 LYS 14 19.179 0.100 -2.203 123 HG2 LYS 14 HG2 LYS 14 19.072 -2.086 -3.156 124 HG3 LYS 14 HG3 LYS 14 18.281 -2.103 -1.578 125 HD2 LYS 14 HD2 LYS 14 16.046 -1.990 -2.806 126 HD3 LYS 14 HD3 LYS 14 16.952 -2.096 -4.317 127 HE2 LYS 14 HE2 LYS 14 16.244 -4.316 -3.786 128 HE3 LYS 14 HE3 LYS 14 17.982 -4.234 -3.495 129 HZ1 LYS 14 HZ1 LYS 14 16.800 -5.366 -1.683 130 HZ2 LYS 14 HZ2 LYS 14 15.845 -4.093 -1.434 131 HZ3 LYS 14 HZ3 LYS 14 17.433 -3.974 -1.084 132 H GLU 15 H GLU 15 17.761 2.647 -2.332 133 HA GLU 15 HA GLU 15 19.455 3.408 -0.236 134 HB2 GLU 15 HB2 GLU 15 17.731 5.241 -1.943 135 HB3 GLU 15 HB3 GLU 15 19.095 5.729 -0.942 136 HG2 GLU 15 HG2 GLU 15 19.208 4.025 -3.448 137 HG3 GLU 15 HG3 GLU 15 19.829 5.643 -3.201 138 H LEU 16 H LEU 16 15.957 3.955 -0.498 139 HA LEU 16 HA LEU 16 15.439 5.531 1.742 140 HB2 LEU 16 HB2 LEU 16 13.967 3.750 -0.100 141 HB3 LEU 16 HB3 LEU 16 13.263 3.727 1.487 142 HG LEU 16 HG LEU 16 12.608 5.926 1.496 143 HD11 LEU 16 HD11 LEU 16 13.133 7.583 -0.237 144 HD12 LEU 16 HD12 LEU 16 14.304 6.455 -0.973 145 HD13 LEU 16 HD13 LEU 16 14.595 7.124 0.645 146 HD21 LEU 16 HD21 LEU 16 11.376 4.405 -0.032 147 HD22 LEU 16 HD22 LEU 16 12.411 4.958 -1.380 148 HD23 LEU 16 HD23 LEU 16 11.313 6.095 -0.574 149 H SER 17 H SER 17 16.622 2.390 1.940 150 HA SER 17 HA SER 17 16.780 0.815 3.565 151 HB2 SER 17 HB2 SER 17 16.502 3.299 5.316 152 HB3 SER 17 HB3 SER 17 16.921 1.715 5.917 153 HG SER 17 HG SER 17 18.331 3.120 3.890 154 H VAL 18 H VAL 18 14.406 0.790 2.327 155 HA VAL 18 HA VAL 18 12.060 0.673 3.877 156 HB VAL 18 HB VAL 18 12.856 -0.935 1.439 157 HG11 VAL 18 HG11 VAL 18 10.093 -0.280 2.458 158 HG12 VAL 18 HG12 VAL 18 10.478 -1.070 0.910 159 HG13 VAL 18 HG13 VAL 18 10.884 -1.878 2.427 160 HG21 VAL 18 HG21 VAL 18 11.297 1.685 1.554 161 HG22 VAL 18 HG22 VAL 18 13.010 1.579 1.127 162 HG23 VAL 18 HG23 VAL 18 11.825 0.795 0.104 163 H GLU 19 H GLU 19 14.687 -1.707 3.441 164 HA GLU 19 HA GLU 19 13.388 -3.901 4.698 165 HB2 GLU 19 HB2 GLU 19 15.711 -4.741 5.025 166 HB3 GLU 19 HB3 GLU 19 15.356 -4.248 3.371 167 HG2 GLU 19 HG2 GLU 19 16.638 -2.254 3.543 168 HG3 GLU 19 HG3 GLU 19 16.675 -2.320 5.311 169 H LYS 20 H LYS 20 14.368 -0.944 6.119 170 HA LYS 20 HA LYS 20 14.726 -2.117 8.821 171 HB2 LYS 20 HB2 LYS 20 14.967 0.793 8.041 172 HB3 LYS 20 HB3 LYS 20 15.592 -0.007 9.471 173 HG2 LYS 20 HG2 LYS 20 16.975 -1.447 7.742 174 HG3 LYS 20 HG3 LYS 20 16.530 -0.224 6.583 175 HD2 LYS 20 HD2 LYS 20 18.613 0.536 7.260 176 HD3 LYS 20 HD3 LYS 20 17.550 1.479 8.308 177 HE2 LYS 20 HE2 LYS 20 19.423 0.583 9.555 178 HE3 LYS 20 HE3 LYS 20 17.914 -0.135 10.140 179 HZ1 LYS 20 HZ1 LYS 20 19.709 -1.476 8.201 180 HZ2 LYS 20 HZ2 LYS 20 18.464 -2.166 8.951 181 HZ3 LYS 20 HZ3 LYS 20 19.804 -1.736 9.815 182 H TRP 21 H TRP 21 12.233 -0.999 6.838 183 HA TRP 21 HA TRP 21 10.673 0.450 8.798 184 HB2 TRP 21 HB2 TRP 21 9.905 -0.738 6.095 185 HB3 TRP 21 HB3 TRP 21 8.962 0.383 7.030 186 HD1 TRP 21 HD1 TRP 21 12.298 1.710 7.326 187 HE1 TRP 21 HE1 TRP 21 12.790 3.557 5.715 188 HE3 TRP 21 HE3 TRP 21 8.333 1.058 4.125 189 HZ2 TRP 21 HZ2 TRP 21 11.693 4.633 3.283 190 HZ3 TRP 21 HZ3 TRP 21 7.975 2.671 2.284 191 HH2 TRP 21 HH2 TRP 21 9.614 4.531 1.878 192 HA PRO 22 HA PRO 22 8.714 -3.300 10.416 193 HB2 PRO 22 HB2 PRO 22 6.059 -2.615 10.628 194 HB3 PRO 22 HB3 PRO 22 7.319 -2.023 11.742 195 HG2 PRO 22 HG2 PRO 22 6.203 -0.621 9.294 196 HG3 PRO 22 HG3 PRO 22 6.405 0.053 10.937 197 HD2 PRO 22 HD2 PRO 22 8.215 0.516 9.006 198 HD3 PRO 22 HD3 PRO 22 8.768 0.167 10.660 199 H ILE 23 H ILE 23 7.978 -5.184 9.486 200 HA ILE 23 HA ILE 23 6.770 -5.174 6.800 201 HB ILE 23 HB ILE 23 7.480 -7.375 8.785 202 HG12 ILE 23 HG12 ILE 23 8.544 -6.714 6.025 203 HG13 ILE 23 HG13 ILE 23 9.370 -6.312 7.498 204 HG21 ILE 23 HG21 ILE 23 6.787 -9.049 7.055 205 HG22 ILE 23 HG22 ILE 23 5.437 -8.149 7.686 206 HG23 ILE 23 HG23 ILE 23 6.105 -7.733 6.086 207 HD11 ILE 23 HD11 ILE 23 8.900 -9.107 6.407 208 HD12 ILE 23 HD12 ILE 23 10.418 -8.207 6.532 209 HD13 ILE 23 HD13 ILE 23 9.601 -8.749 8.008 210 H TRP 24 H TRP 24 4.577 -5.816 6.508 211 HA TRP 24 HA TRP 24 2.957 -6.393 8.853 212 HB2 TRP 24 HB2 TRP 24 2.466 -4.067 8.562 213 HB3 TRP 24 HB3 TRP 24 2.335 -4.231 6.814 214 HD1 TRP 24 HD1 TRP 24 0.363 -4.262 9.933 215 HE1 TRP 24 HE1 TRP 24 -2.118 -4.476 9.381 216 HE3 TRP 24 HE3 TRP 24 0.765 -5.853 5.104 217 HZ2 TRP 24 HZ2 TRP 24 -3.739 -5.079 7.029 218 HZ3 TRP 24 HZ3 TRP 24 -1.278 -5.950 3.667 219 HH2 TRP 24 HH2 TRP 24 -3.489 -5.518 4.606 220 H GLU 25 H GLU 25 1.242 -7.779 8.227 221 HA GLU 25 HA GLU 25 1.059 -8.725 5.502 222 HB2 GLU 25 HB2 GLU 25 1.510 -11.107 6.234 223 HB3 GLU 25 HB3 GLU 25 2.894 -10.024 6.034 224 HG2 GLU 25 HG2 GLU 25 3.406 -9.925 8.266 225 HG3 GLU 25 HG3 GLU 25 1.789 -10.353 8.802 226 H LYS 26 H LYS 26 -0.689 -10.339 5.238 227 HA LYS 26 HA LYS 26 -2.795 -10.248 7.264 228 HB2 LYS 26 HB2 LYS 26 -2.513 -8.071 5.629 229 HB3 LYS 26 HB3 LYS 26 -3.346 -9.166 4.527 230 HG2 LYS 26 HG2 LYS 26 -4.759 -7.549 5.605 231 HG3 LYS 26 HG3 LYS 26 -5.302 -9.222 5.907 232 HD2 LYS 26 HD2 LYS 26 -4.352 -9.057 8.164 233 HD3 LYS 26 HD3 LYS 26 -3.768 -7.428 7.789 234 HE2 LYS 26 HE2 LYS 26 -5.589 -7.272 9.256 235 HE3 LYS 26 HE3 LYS 26 -6.097 -6.626 7.711 236 HZ1 LYS 26 HZ1 LYS 26 -7.340 -8.635 7.337 237 HZ2 LYS 26 HZ2 LYS 26 -7.696 -8.179 8.874 238 HZ3 LYS 26 HZ3 LYS 26 -6.653 -9.391 8.599 239 H GLU 27 H GLU 27 -4.766 -11.416 6.405 240 HA GLU 27 HA GLU 27 -3.956 -13.680 4.766 241 HB2 GLU 27 HB2 GLU 27 -5.248 -13.431 7.103 242 HB3 GLU 27 HB3 GLU 27 -6.653 -13.241 6.087 243 HG2 GLU 27 HG2 GLU 27 -6.371 -15.567 6.849 244 HG3 GLU 27 HG3 GLU 27 -6.220 -15.388 5.109 245 H VAL 28 H VAL 28 -6.100 -14.325 3.684 246 HA VAL 28 HA VAL 28 -6.434 -12.641 1.323 247 HB VAL 28 HB VAL 28 -6.180 -15.060 1.286 248 HG11 VAL 28 HG11 VAL 28 -8.015 -16.609 1.804 249 HG12 VAL 28 HG12 VAL 28 -7.447 -15.779 3.239 250 HG13 VAL 28 HG13 VAL 28 -8.968 -15.277 2.486 251 HG21 VAL 28 HG21 VAL 28 -8.875 -14.440 0.051 252 HG22 VAL 28 HG22 VAL 28 -7.326 -13.879 -0.610 253 HG23 VAL 28 HG23 VAL 28 -7.655 -15.610 -0.473 254 H SER 29 H SER 29 -7.635 -11.929 4.088 255 HA SER 29 HA SER 29 -10.517 -11.835 3.667 256 HB2 SER 29 HB2 SER 29 -10.274 -10.695 5.954 257 HB3 SER 29 HB3 SER 29 -9.942 -12.442 5.767 258 HG SER 29 HG SER 29 -7.938 -10.466 5.503 259 H GLU 30 H GLU 30 -11.530 -10.191 3.042 260 HA GLU 30 HA GLU 30 -10.091 -7.673 2.390 261 HB2 GLU 30 HB2 GLU 30 -11.846 -6.929 1.038 262 HB3 GLU 30 HB3 GLU 30 -11.736 -8.646 0.699 263 HG2 GLU 30 HG2 GLU 30 -13.695 -8.928 2.340 264 HG3 GLU 30 HG3 GLU 30 -13.815 -7.177 2.392 265 H PHE 31 H PHE 31 -10.771 -5.586 3.181 266 HA PHE 31 HA PHE 31 -12.737 -5.438 5.289 267 HB2 PHE 31 HB2 PHE 31 -11.061 -4.511 6.974 268 HB3 PHE 31 HB3 PHE 31 -11.085 -6.230 6.717 269 HD1 PHE 31 HD1 PHE 31 -9.190 -3.132 5.727 270 HD2 PHE 31 HD2 PHE 31 -9.181 -7.423 6.158 271 HE1 PHE 31 HE1 PHE 31 -6.792 -3.198 5.102 272 HE2 PHE 31 HE2 PHE 31 -6.759 -7.462 5.663 273 HZ PHE 31 HZ PHE 31 -5.592 -5.343 4.956 274 H ASP 32 H ASP 32 -12.237 -2.942 6.279 275 HA ASP 32 HA ASP 32 -11.515 -1.141 4.102 276 HB2 ASP 32 HB2 ASP 32 -13.251 0.360 5.437 277 HB3 ASP 32 HB3 ASP 32 -13.689 -0.752 4.138 278 H TRP 33 H TRP 33 -9.816 0.012 4.545 279 HA TRP 33 HA TRP 33 -9.011 0.247 7.424 280 HB2 TRP 33 HB2 TRP 33 -7.487 -1.033 5.818 281 HB3 TRP 33 HB3 TRP 33 -7.199 0.499 5.000 282 HD1 TRP 33 HD1 TRP 33 -5.581 2.213 6.222 283 HE1 TRP 33 HE1 TRP 33 -4.107 2.137 8.321 284 HE3 TRP 33 HE3 TRP 33 -7.569 -1.945 8.441 285 HZ2 TRP 33 HZ2 TRP 33 -3.738 0.394 10.587 286 HZ3 TRP 33 HZ3 TRP 33 -6.727 -2.705 10.636 287 HH2 TRP 33 HH2 TRP 33 -4.802 -1.547 11.714 288 H TYR 34 H TYR 34 -8.096 2.208 8.120 289 HA TYR 34 HA TYR 34 -8.695 4.616 6.495 290 HB2 TYR 34 HB2 TYR 34 -10.281 4.430 8.323 291 HB3 TYR 34 HB3 TYR 34 -8.978 4.141 9.474 292 HD1 TYR 34 HD1 TYR 34 -9.795 6.726 6.838 293 HD2 TYR 34 HD2 TYR 34 -8.419 5.969 10.842 294 HE1 TYR 34 HE1 TYR 34 -9.731 9.155 7.248 295 HE2 TYR 34 HE2 TYR 34 -8.487 8.384 11.314 296 HH TYR 34 HH TYR 34 -9.440 10.776 8.819 297 H TYR 35 H TYR 35 -7.124 6.036 6.262 298 HA TYR 35 HA TYR 35 -4.507 5.618 7.622 299 HB2 TYR 35 HB2 TYR 35 -5.172 6.913 4.936 300 HB3 TYR 35 HB3 TYR 35 -3.577 6.879 5.680 301 HD1 TYR 35 HD1 TYR 35 -2.478 4.654 6.189 302 HD2 TYR 35 HD2 TYR 35 -6.002 4.980 3.730 303 HE1 TYR 35 HE1 TYR 35 -2.121 2.349 5.412 304 HE2 TYR 35 HE2 TYR 35 -5.631 2.655 2.898 305 HH TYR 35 HH TYR 35 -3.210 0.576 4.391 306 H ASP 36 H ASP 36 -4.443 6.948 9.316 307 HA ASP 36 HA ASP 36 -5.880 9.540 9.264 308 HB2 ASP 36 HB2 ASP 36 -6.205 7.717 11.103 309 HB3 ASP 36 HB3 ASP 36 -4.662 8.288 11.718 310 H THR 37 H THR 37 -2.900 8.433 8.459 311 HA THR 37 HA THR 37 -1.634 10.984 8.584 312 HB THR 37 HB THR 37 0.535 9.536 9.428 313 HG1 THR 37 HG1 THR 37 -0.613 7.908 10.260 314 HG21 THR 37 HG21 THR 37 -1.346 11.435 10.852 315 HG22 THR 37 HG22 THR 37 0.158 11.814 9.990 316 HG23 THR 37 HG23 THR 37 0.226 10.937 11.527 317 H ASN 38 H ASN 38 0.403 10.896 7.399 318 HA ASN 38 HA ASN 38 -0.205 9.691 4.821 319 HB2 ASN 38 HB2 ASN 38 2.505 10.725 5.512 320 HB3 ASN 38 HB3 ASN 38 1.629 10.902 3.996 321 HD21 ASN 38 HD21 ASN 38 2.403 12.149 7.076 322 HD22 ASN 38 HD22 ASN 38 1.674 13.731 6.969 323 H GLU 39 H GLU 39 0.869 7.899 4.022 324 HA GLU 39 HA GLU 39 2.803 6.500 5.740 325 HB2 GLU 39 HB2 GLU 39 0.392 5.912 6.385 326 HB3 GLU 39 HB3 GLU 39 0.197 5.240 4.770 327 HG2 GLU 39 HG2 GLU 39 1.988 3.605 5.206 328 HG3 GLU 39 HG3 GLU 39 2.310 4.336 6.775 329 H THR 40 H THR 40 4.235 5.428 4.391 330 HA THR 40 HA THR 40 3.595 5.259 1.485 331 HB THR 40 HB THR 40 6.296 5.733 2.851 332 HG1 THR 40 HG1 THR 40 6.083 7.735 1.838 333 HG21 THR 40 HG21 THR 40 6.577 4.314 0.884 334 HG22 THR 40 HG22 THR 40 7.148 5.956 0.560 335 HG23 THR 40 HG23 THR 40 5.580 5.429 -0.094 336 H CYS 41 H CYS 41 3.335 3.153 0.855 337 HA CYS 41 HA CYS 41 4.861 1.113 2.368 338 HB2 CYS 41 HB2 CYS 41 2.984 -0.489 1.889 339 HB3 CYS 41 HB3 CYS 41 2.587 0.724 3.110 340 HG CYS 41 HG CYS 41 1.445 2.375 1.570 341 H TYR 42 H TYR 42 5.676 -0.509 1.242 342 HA TYR 42 HA TYR 42 5.894 -0.201 -1.691 343 HB2 TYR 42 HB2 TYR 42 7.887 0.658 -0.507 344 HB3 TYR 42 HB3 TYR 42 8.036 -0.867 0.378 345 HD1 TYR 42 HD1 TYR 42 7.862 0.564 -3.076 346 HD2 TYR 42 HD2 TYR 42 9.164 -2.726 -0.633 347 HE1 TYR 42 HE1 TYR 42 8.831 -0.485 -5.059 348 HE2 TYR 42 HE2 TYR 42 9.991 -3.885 -2.685 349 HH TYR 42 HH TYR 42 9.691 -3.982 -4.993 350 H ILE 43 H ILE 43 5.085 -1.908 -2.623 351 HA ILE 43 HA ILE 43 4.344 -4.386 -1.212 352 HB ILE 43 HB ILE 43 4.134 -3.768 -4.144 353 HG12 ILE 43 HG12 ILE 43 2.621 -2.063 -2.872 354 HG13 ILE 43 HG13 ILE 43 1.919 -3.062 -4.097 355 HG21 ILE 43 HG21 ILE 43 3.982 -6.145 -3.556 356 HG22 ILE 43 HG22 ILE 43 2.832 -5.797 -2.261 357 HG23 ILE 43 HG23 ILE 43 2.365 -5.563 -3.956 358 HD11 ILE 43 HD11 ILE 43 0.499 -2.842 -2.123 359 HD12 ILE 43 HD12 ILE 43 0.863 -4.507 -2.459 360 HD13 ILE 43 HD13 ILE 43 1.745 -3.699 -1.147 361 H LEU 44 H LEU 44 5.523 -6.295 -1.444 362 HA LEU 44 HA LEU 44 7.833 -6.240 -3.339 363 HB2 LEU 44 HB2 LEU 44 7.817 -7.592 -0.616 364 HB3 LEU 44 HB3 LEU 44 9.122 -7.491 -1.743 365 HG LEU 44 HG LEU 44 8.442 -4.799 -1.288 366 HD11 LEU 44 HD11 LEU 44 8.558 -4.546 1.138 367 HD12 LEU 44 HD12 LEU 44 8.555 -6.327 1.312 368 HD13 LEU 44 HD13 LEU 44 7.136 -5.482 0.655 369 HD21 LEU 44 HD21 LEU 44 10.684 -5.787 -1.655 370 HD22 LEU 44 HD22 LEU 44 10.667 -6.394 0.020 371 HD23 LEU 44 HD23 LEU 44 10.645 -4.644 -0.288 372 H GLU 45 H GLU 45 5.209 -8.184 -1.744 373 HA GLU 45 HA GLU 45 5.230 -9.814 -4.168 374 HB2 GLU 45 HB2 GLU 45 4.884 -11.868 -2.866 375 HB3 GLU 45 HB3 GLU 45 6.485 -11.160 -2.721 376 HG2 GLU 45 HG2 GLU 45 5.800 -10.242 -0.474 377 HG3 GLU 45 HG3 GLU 45 4.310 -11.147 -0.604 378 H GLY 46 H GLY 46 3.015 -11.128 -4.132 379 HA2 GLY 46 HA2 GLY 46 0.852 -11.341 -3.338 380 HA3 GLY 46 HA3 GLY 46 1.033 -9.856 -2.450 381 H LYS 47 H LYS 47 -1.329 -9.988 -3.352 382 HA LYS 47 HA LYS 47 -1.510 -8.002 -5.415 383 HB2 LYS 47 HB2 LYS 47 -2.439 -10.767 -5.786 384 HB3 LYS 47 HB3 LYS 47 -3.781 -9.645 -5.781 385 HG2 LYS 47 HG2 LYS 47 -1.261 -9.363 -7.490 386 HG3 LYS 47 HG3 LYS 47 -2.734 -10.128 -8.064 387 HD2 LYS 47 HD2 LYS 47 -2.585 -7.242 -7.120 388 HD3 LYS 47 HD3 LYS 47 -2.398 -7.691 -8.794 389 HE2 LYS 47 HE2 LYS 47 -4.827 -8.421 -7.110 390 HE3 LYS 47 HE3 LYS 47 -4.723 -6.881 -7.969 391 HZ1 LYS 47 HZ1 LYS 47 -5.796 -8.849 -9.210 392 HZ2 LYS 47 HZ2 LYS 47 -4.246 -9.440 -9.405 393 HZ3 LYS 47 HZ3 LYS 47 -4.667 -8.020 -10.029 394 H VAL 48 H VAL 48 -3.194 -6.794 -5.259 395 HA VAL 48 HA VAL 48 -5.232 -6.918 -3.314 396 HB VAL 48 HB VAL 48 -3.695 -5.845 -1.930 397 HG11 VAL 48 HG11 VAL 48 -1.855 -5.976 -2.909 398 HG12 VAL 48 HG12 VAL 48 -2.260 -4.710 -3.991 399 HG13 VAL 48 HG13 VAL 48 -2.071 -4.412 -2.189 400 HG21 VAL 48 HG21 VAL 48 -4.264 -3.599 -1.597 401 HG22 VAL 48 HG22 VAL 48 -5.222 -3.671 -3.060 402 HG23 VAL 48 HG23 VAL 48 -5.625 -4.710 -1.685 403 H GLU 49 H GLU 49 -6.985 -5.665 -3.567 404 HA GLU 49 HA GLU 49 -6.740 -3.713 -5.598 405 HB2 GLU 49 HB2 GLU 49 -9.093 -5.607 -5.223 406 HB3 GLU 49 HB3 GLU 49 -9.498 -3.923 -5.527 407 HG2 GLU 49 HG2 GLU 49 -8.173 -3.955 -7.604 408 HG3 GLU 49 HG3 GLU 49 -7.845 -5.690 -7.372 409 H VAL 50 H VAL 50 -7.599 -1.697 -4.941 410 HA VAL 50 HA VAL 50 -8.917 -1.500 -2.270 411 HB VAL 50 HB VAL 50 -6.637 0.122 -3.462 412 HG11 VAL 50 HG11 VAL 50 -6.808 1.773 -1.753 413 HG12 VAL 50 HG12 VAL 50 -8.321 1.771 -2.671 414 HG13 VAL 50 HG13 VAL 50 -8.261 1.013 -1.058 415 HG21 VAL 50 HG21 VAL 50 -6.165 -1.889 -2.047 416 HG22 VAL 50 HG22 VAL 50 -5.558 -0.384 -1.351 417 HG23 VAL 50 HG23 VAL 50 -7.060 -1.135 -0.743 418 H THR 51 H THR 51 -10.989 -1.323 -2.949 419 HA THR 51 HA THR 51 -11.701 0.516 -5.138 420 HB THR 51 HB THR 51 -13.418 -1.101 -3.223 421 HG1 THR 51 HG1 THR 51 -13.820 -2.223 -5.298 422 HG21 THR 51 HG21 THR 51 -14.164 0.567 -5.662 423 HG22 THR 51 HG22 THR 51 -14.697 0.812 -3.990 424 HG23 THR 51 HG23 THR 51 -15.246 -0.603 -4.873 425 H THR 52 H THR 52 -11.556 2.681 -4.610 426 HA THR 52 HA THR 52 -11.951 3.557 -1.823 427 HB THR 52 HB THR 52 -11.543 5.748 -2.593 428 HG1 THR 52 HG1 THR 52 -11.364 6.344 -4.683 429 HG21 THR 52 HG21 THR 52 -9.293 5.604 -3.542 430 HG22 THR 52 HG22 THR 52 -9.597 3.945 -4.107 431 HG23 THR 52 HG23 THR 52 -9.502 4.287 -2.379 432 H GLU 53 H GLU 53 -13.732 5.002 -1.263 433 HA GLU 53 HA GLU 53 -16.093 3.872 -1.800 434 HB2 GLU 53 HB2 GLU 53 -17.221 5.920 -1.102 435 HB3 GLU 53 HB3 GLU 53 -16.074 5.336 0.031 436 HG2 GLU 53 HG2 GLU 53 -14.514 7.162 -0.609 437 HG3 GLU 53 HG3 GLU 53 -15.576 7.635 -1.921 438 H ASP 54 H ASP 54 -14.571 6.443 -3.668 439 HA ASP 54 HA ASP 54 -16.778 7.332 -5.187 440 HB2 ASP 54 HB2 ASP 54 -14.528 8.461 -4.661 441 HB3 ASP 54 HB3 ASP 54 -13.851 7.499 -5.965 442 H GLY 55 H GLY 55 -15.330 4.363 -5.352 443 HA2 GLY 55 HA2 GLY 55 -16.207 2.663 -6.728 444 HA3 GLY 55 HA3 GLY 55 -16.485 3.830 -8.034 445 H LYS 56 H LYS 56 -13.492 4.747 -7.210 446 HA LYS 56 HA LYS 56 -12.388 3.239 -9.406 447 HB2 LYS 56 HB2 LYS 56 -11.051 5.205 -7.490 448 HB3 LYS 56 HB3 LYS 56 -10.273 4.435 -8.879 449 HG2 LYS 56 HG2 LYS 56 -12.538 5.304 -10.092 450 HG3 LYS 56 HG3 LYS 56 -12.381 6.533 -8.829 451 HD2 LYS 56 HD2 LYS 56 -10.242 7.225 -9.691 452 HD3 LYS 56 HD3 LYS 56 -10.133 5.785 -10.739 453 HE2 LYS 56 HE2 LYS 56 -12.033 6.483 -12.055 454 HE3 LYS 56 HE3 LYS 56 -12.375 7.817 -10.953 455 HZ1 LYS 56 HZ1 LYS 56 -11.229 8.580 -12.922 456 HZ2 LYS 56 HZ2 LYS 56 -9.946 7.574 -12.624 457 HZ3 LYS 56 HZ3 LYS 56 -10.293 8.811 -11.604 458 H LYS 57 H LYS 57 -11.278 1.460 -9.436 459 HA LYS 57 HA LYS 57 -10.560 0.107 -6.929 460 HB2 LYS 57 HB2 LYS 57 -10.191 -1.813 -8.363 461 HB3 LYS 57 HB3 LYS 57 -11.880 -1.320 -8.305 462 HG2 LYS 57 HG2 LYS 57 -10.136 -0.354 -10.543 463 HG3 LYS 57 HG3 LYS 57 -10.637 -2.023 -10.557 464 HD2 LYS 57 HD2 LYS 57 -12.661 0.235 -10.314 465 HD3 LYS 57 HD3 LYS 57 -12.073 -0.311 -11.882 466 HE2 LYS 57 HE2 LYS 57 -13.436 -2.087 -9.826 467 HE3 LYS 57 HE3 LYS 57 -14.249 -1.331 -11.206 468 HZ1 LYS 57 HZ1 LYS 57 -13.005 -2.712 -12.675 469 HZ2 LYS 57 HZ2 LYS 57 -13.480 -3.694 -11.443 470 HZ3 LYS 57 HZ3 LYS 57 -11.963 -3.189 -11.482 471 H TYR 58 H TYR 58 -8.387 -0.223 -6.553 472 HA TYR 58 HA TYR 58 -6.441 0.511 -8.682 473 HB2 TYR 58 HB2 TYR 58 -6.265 1.067 -5.693 474 HB3 TYR 58 HB3 TYR 58 -4.984 1.295 -6.866 475 HD1 TYR 58 HD1 TYR 58 -5.462 2.894 -8.890 476 HD2 TYR 58 HD2 TYR 58 -7.838 2.832 -5.292 477 HE1 TYR 58 HE1 TYR 58 -6.425 5.098 -9.480 478 HE2 TYR 58 HE2 TYR 58 -8.744 5.080 -5.856 479 HH TYR 58 HH TYR 58 -8.650 6.899 -7.337 480 H VAL 59 H VAL 59 -5.664 -1.426 -9.304 481 HA VAL 59 HA VAL 59 -5.439 -3.781 -7.530 482 HB VAL 59 HB VAL 59 -4.817 -3.157 -10.436 483 HG11 VAL 59 HG11 VAL 59 -5.029 -6.021 -9.859 484 HG12 VAL 59 HG12 VAL 59 -3.795 -5.130 -10.735 485 HG13 VAL 59 HG13 VAL 59 -3.666 -5.252 -9.000 486 HG21 VAL 59 HG21 VAL 59 -7.013 -4.983 -9.417 487 HG22 VAL 59 HG22 VAL 59 -7.279 -3.313 -9.951 488 HG23 VAL 59 HG23 VAL 59 -6.694 -4.527 -11.089 489 H ILE 60 H ILE 60 -3.625 -3.880 -6.102 490 HA ILE 60 HA ILE 60 -1.266 -2.410 -7.069 491 HB ILE 60 HB ILE 60 -1.032 -2.901 -4.438 492 HG12 ILE 60 HG12 ILE 60 -3.744 -3.172 -4.473 493 HG13 ILE 60 HG13 ILE 60 -2.742 -2.706 -3.178 494 HG21 ILE 60 HG21 ILE 60 -0.168 -1.056 -5.349 495 HG22 ILE 60 HG22 ILE 60 -1.757 -0.319 -5.525 496 HG23 ILE 60 HG23 ILE 60 -1.158 -0.787 -3.849 497 HD11 ILE 60 HD11 ILE 60 -3.952 -0.639 -5.025 498 HD12 ILE 60 HD12 ILE 60 -4.766 -1.305 -3.646 499 HD13 ILE 60 HD13 ILE 60 -3.260 -0.380 -3.400 500 H GLU 61 H GLU 61 0.638 -3.578 -7.322 501 HA GLU 61 HA GLU 61 0.667 -6.088 -5.886 502 HB2 GLU 61 HB2 GLU 61 1.352 -7.306 -7.831 503 HB3 GLU 61 HB3 GLU 61 -0.109 -6.460 -8.307 504 HG2 GLU 61 HG2 GLU 61 1.175 -4.845 -9.621 505 HG3 GLU 61 HG3 GLU 61 2.694 -5.385 -8.949 506 H LYS 62 H LYS 62 2.953 -7.106 -6.637 507 HA LYS 62 HA LYS 62 5.095 -5.851 -5.304 508 HB2 LYS 62 HB2 LYS 62 6.255 -7.821 -6.016 509 HB3 LYS 62 HB3 LYS 62 4.606 -8.253 -5.544 510 HG2 LYS 62 HG2 LYS 62 4.458 -7.821 -8.332 511 HG3 LYS 62 HG3 LYS 62 6.032 -8.566 -8.073 512 HD2 LYS 62 HD2 LYS 62 4.837 -10.452 -6.872 513 HD3 LYS 62 HD3 LYS 62 3.293 -9.733 -7.359 514 HE2 LYS 62 HE2 LYS 62 5.533 -10.408 -9.325 515 HE3 LYS 62 HE3 LYS 62 4.284 -11.579 -8.901 516 HZ1 LYS 62 HZ1 LYS 62 3.530 -8.925 -9.995 517 HZ2 LYS 62 HZ2 LYS 62 2.678 -10.342 -10.023 518 HZ3 LYS 62 HZ3 LYS 62 3.985 -10.124 -10.968 519 H GLY 63 H GLY 63 4.907 -3.731 -6.456 520 HA2 GLY 63 HA2 GLY 63 6.710 -3.064 -8.492 521 HA3 GLY 63 HA3 GLY 63 5.363 -3.806 -9.336 522 H ASP 64 H ASP 64 3.930 -2.249 -6.700 523 HA ASP 64 HA ASP 64 3.627 0.414 -8.054 524 HB2 ASP 64 HB2 ASP 64 1.651 -1.391 -6.546 525 HB3 ASP 64 HB3 ASP 64 1.327 0.284 -6.937 526 H LEU 65 H LEU 65 4.631 1.908 -6.567 527 HA LEU 65 HA LEU 65 4.754 1.379 -3.674 528 HB2 LEU 65 HB2 LEU 65 6.654 2.498 -4.857 529 HB3 LEU 65 HB3 LEU 65 5.521 3.723 -5.447 530 HG LEU 65 HG LEU 65 5.032 4.308 -3.002 531 HD11 LEU 65 HD11 LEU 65 7.647 2.857 -2.440 532 HD12 LEU 65 HD12 LEU 65 6.100 2.097 -2.156 533 HD13 LEU 65 HD13 LEU 65 6.483 3.559 -1.280 534 HD21 LEU 65 HD21 LEU 65 6.562 5.556 -4.578 535 HD22 LEU 65 HD22 LEU 65 7.925 4.734 -3.798 536 HD23 LEU 65 HD23 LEU 65 6.853 5.802 -2.854 537 H VAL 66 H VAL 66 3.250 2.517 -2.238 538 HA VAL 66 HA VAL 66 1.379 4.438 -3.539 539 HB VAL 66 HB VAL 66 0.503 2.263 -1.589 540 HG11 VAL 66 HG11 VAL 66 -1.046 4.368 -3.160 541 HG12 VAL 66 HG12 VAL 66 -1.793 3.029 -2.253 542 HG13 VAL 66 HG13 VAL 66 -0.868 4.251 -1.396 543 HG21 VAL 66 HG21 VAL 66 0.266 2.350 -4.603 544 HG22 VAL 66 HG22 VAL 66 0.877 1.035 -3.593 545 HG23 VAL 66 HG23 VAL 66 -0.850 1.416 -3.612 546 H THR 67 H THR 67 1.180 6.290 -2.521 547 HA THR 67 HA THR 67 1.840 6.374 0.357 548 HB THR 67 HB THR 67 1.338 8.696 -1.472 549 HG1 THR 67 HG1 THR 67 3.147 7.433 -2.210 550 HG21 THR 67 HG21 THR 67 2.739 9.919 0.252 551 HG22 THR 67 HG22 THR 67 2.914 8.398 1.139 552 HG23 THR 67 HG23 THR 67 1.319 9.149 0.973 553 H PHE 68 H PHE 68 0.045 6.910 1.681 554 HA PHE 68 HA PHE 68 -2.552 7.518 0.333 555 HB2 PHE 68 HB2 PHE 68 -2.059 6.208 3.032 556 HB3 PHE 68 HB3 PHE 68 -3.610 6.817 2.507 557 HD1 PHE 68 HD1 PHE 68 -4.475 5.947 0.135 558 HD2 PHE 68 HD2 PHE 68 -1.572 3.943 2.581 559 HE1 PHE 68 HE1 PHE 68 -4.960 3.795 -1.032 560 HE2 PHE 68 HE2 PHE 68 -1.894 1.869 1.279 561 HZ PHE 68 HZ PHE 68 -3.633 1.778 -0.514 562 HA PRO 69 HA PRO 69 -1.878 11.404 2.420 563 HB2 PRO 69 HB2 PRO 69 -4.272 12.582 2.518 564 HB3 PRO 69 HB3 PRO 69 -3.608 12.108 0.920 565 HG2 PRO 69 HG2 PRO 69 -5.517 10.534 2.683 566 HG3 PRO 69 HG3 PRO 69 -5.722 11.022 0.985 567 HD2 PRO 69 HD2 PRO 69 -4.696 8.558 1.785 568 HD3 PRO 69 HD3 PRO 69 -4.197 9.322 0.256 569 H LYS 70 H LYS 70 -2.863 12.593 4.200 570 HA LYS 70 HA LYS 70 -3.314 10.926 6.645 571 HB2 LYS 70 HB2 LYS 70 -1.586 12.635 6.768 572 HB3 LYS 70 HB3 LYS 70 -2.699 13.902 6.276 573 HG2 LYS 70 HG2 LYS 70 -3.894 13.803 8.378 574 HG3 LYS 70 HG3 LYS 70 -3.084 12.300 8.836 575 HD2 LYS 70 HD2 LYS 70 -0.862 13.455 8.706 576 HD3 LYS 70 HD3 LYS 70 -1.738 14.972 8.446 577 HE2 LYS 70 HE2 LYS 70 -2.708 14.876 10.631 578 HE3 LYS 70 HE3 LYS 70 -2.203 13.219 10.899 579 HZ1 LYS 70 HZ1 LYS 70 -0.032 13.905 11.289 580 HZ2 LYS 70 HZ2 LYS 70 -0.889 15.154 11.903 581 HZ3 LYS 70 HZ3 LYS 70 -0.179 15.309 10.426 582 H GLY 71 H GLY 71 -5.413 10.196 6.242 583 HA2 GLY 71 HA2 GLY 71 -7.641 10.740 6.917 584 HA3 GLY 71 HA3 GLY 71 -7.545 12.251 6.009 585 H LEU 72 H LEU 72 -7.731 8.668 5.605 586 HA LEU 72 HA LEU 72 -9.550 9.073 3.387 587 HB2 LEU 72 HB2 LEU 72 -7.379 9.250 2.206 588 HB3 LEU 72 HB3 LEU 72 -6.860 7.712 2.889 589 HG LEU 72 HG LEU 72 -8.632 6.553 1.599 590 HD11 LEU 72 HD11 LEU 72 -9.207 9.321 0.424 591 HD12 LEU 72 HD12 LEU 72 -10.306 8.381 1.444 592 HD13 LEU 72 HD13 LEU 72 -9.875 7.774 -0.153 593 HD21 LEU 72 HD21 LEU 72 -6.410 6.875 0.605 594 HD22 LEU 72 HD22 LEU 72 -6.914 8.444 -0.067 595 HD23 LEU 72 HD23 LEU 72 -7.677 6.941 -0.637 596 H ARG 73 H ARG 73 -10.996 7.233 3.302 597 HA ARG 73 HA ARG 73 -10.273 4.866 4.963 598 HB2 ARG 73 HB2 ARG 73 -12.815 4.901 5.599 599 HB3 ARG 73 HB3 ARG 73 -11.636 5.722 6.540 600 HG2 ARG 73 HG2 ARG 73 -13.672 6.999 6.361 601 HG3 ARG 73 HG3 ARG 73 -12.325 7.908 5.668 602 HD2 ARG 73 HD2 ARG 73 -13.130 7.662 3.477 603 HD3 ARG 73 HD3 ARG 73 -14.102 6.251 3.873 604 HE ARG 73 HE ARG 73 -14.859 9.012 4.063 605 HH11 ARG 73 HH11 ARG 73 -15.696 5.716 5.176 606 HH12 ARG 73 HH12 ARG 73 -17.397 5.930 4.838 607 HH21 ARG 73 HH21 ARG 73 -17.135 9.223 3.675 608 HH22 ARG 73 HH22 ARG 73 -18.218 7.931 4.028 609 H CYS 74 H CYS 74 -9.929 3.430 3.150 610 HA CYS 74 HA CYS 74 -12.303 3.073 1.280 611 HB2 CYS 74 HB2 CYS 74 -9.424 3.076 0.460 612 HB3 CYS 74 HB3 CYS 74 -10.838 2.664 -0.503 613 HG CYS 74 HG CYS 74 -11.950 5.147 0.238 614 H ARG 75 H ARG 75 -12.195 0.914 0.178 615 HA ARG 75 HA ARG 75 -11.843 -1.159 2.186 616 HB2 ARG 75 HB2 ARG 75 -13.161 -0.934 -0.430 617 HB3 ARG 75 HB3 ARG 75 -12.231 -2.404 -0.314 618 HG2 ARG 75 HG2 ARG 75 -13.620 -3.399 1.118 619 HG3 ARG 75 HG3 ARG 75 -13.755 -1.997 2.186 620 HD2 ARG 75 HD2 ARG 75 -15.129 -2.273 -0.466 621 HD3 ARG 75 HD3 ARG 75 -15.911 -2.641 1.085 622 HE ARG 75 HE ARG 75 -14.784 0.082 0.476 623 HH11 ARG 75 HH11 ARG 75 -17.569 -1.788 1.597 624 HH12 ARG 75 HH12 ARG 75 -18.644 -0.420 1.590 625 HH21 ARG 75 HH21 ARG 75 -15.988 1.836 0.863 626 HH22 ARG 75 HH22 ARG 75 -17.701 1.776 1.102 627 H TRP 76 H TRP 76 -10.748 -3.125 1.709 628 HA TRP 76 HA TRP 76 -8.373 -2.934 0.019 629 HB2 TRP 76 HB2 TRP 76 -8.250 -3.213 2.963 630 HB3 TRP 76 HB3 TRP 76 -7.242 -4.312 2.038 631 HD1 TRP 76 HD1 TRP 76 -7.859 -0.501 2.197 632 HE1 TRP 76 HE1 TRP 76 -5.756 0.686 1.335 633 HE3 TRP 76 HE3 TRP 76 -4.854 -4.574 1.074 634 HZ2 TRP 76 HZ2 TRP 76 -3.036 0.015 0.719 635 HZ3 TRP 76 HZ3 TRP 76 -2.535 -4.245 0.503 636 HH2 TRP 76 HH2 TRP 76 -1.591 -1.949 0.308 637 H LYS 77 H LYS 77 -8.987 -4.528 -1.361 638 HA LYS 77 HA LYS 77 -10.105 -7.113 -0.439 639 HB2 LYS 77 HB2 LYS 77 -11.229 -6.093 -2.324 640 HB3 LYS 77 HB3 LYS 77 -9.706 -5.748 -3.115 641 HG2 LYS 77 HG2 LYS 77 -9.772 -7.618 -4.206 642 HG3 LYS 77 HG3 LYS 77 -9.696 -8.572 -2.724 643 HD2 LYS 77 HD2 LYS 77 -12.285 -7.458 -3.864 644 HD3 LYS 77 HD3 LYS 77 -11.625 -9.037 -4.313 645 HE2 LYS 77 HE2 LYS 77 -11.784 -9.914 -2.115 646 HE3 LYS 77 HE3 LYS 77 -12.008 -8.310 -1.393 647 HZ1 LYS 77 HZ1 LYS 77 -14.009 -9.112 -3.305 648 HZ2 LYS 77 HZ2 LYS 77 -14.145 -8.305 -1.839 649 HZ3 LYS 77 HZ3 LYS 77 -13.979 -9.936 -1.901 650 H VAL 78 H VAL 78 -8.388 -8.153 0.500 651 HA VAL 78 HA VAL 78 -5.691 -8.189 -0.729 652 HB VAL 78 HB VAL 78 -6.631 -9.973 1.545 653 HG11 VAL 78 HG11 VAL 78 -4.024 -8.786 0.733 654 HG12 VAL 78 HG12 VAL 78 -4.313 -9.070 2.479 655 HG13 VAL 78 HG13 VAL 78 -4.487 -10.383 1.379 656 HG21 VAL 78 HG21 VAL 78 -6.158 -8.123 3.244 657 HG22 VAL 78 HG22 VAL 78 -6.154 -6.946 1.895 658 HG23 VAL 78 HG23 VAL 78 -7.600 -7.832 2.305 659 H LEU 79 H LEU 79 -5.984 -9.024 -2.640 660 HA LEU 79 HA LEU 79 -7.782 -11.269 -3.154 661 HB2 LEU 79 HB2 LEU 79 -5.624 -9.888 -4.764 662 HB3 LEU 79 HB3 LEU 79 -6.548 -11.256 -5.372 663 HG LEU 79 HG LEU 79 -7.763 -8.620 -4.494 664 HD11 LEU 79 HD11 LEU 79 -8.170 -8.298 -6.970 665 HD12 LEU 79 HD12 LEU 79 -6.943 -9.572 -7.219 666 HD13 LEU 79 HD13 LEU 79 -6.546 -8.056 -6.356 667 HD21 LEU 79 HD21 LEU 79 -8.947 -11.012 -6.007 668 HD22 LEU 79 HD22 LEU 79 -9.773 -9.457 -5.760 669 HD23 LEU 79 HD23 LEU 79 -9.395 -10.481 -4.369 670 H GLU 80 H GLU 80 -4.352 -10.786 -2.273 671 HA GLU 80 HA GLU 80 -4.174 -13.650 -1.744 672 HB2 GLU 80 HB2 GLU 80 -2.538 -11.862 -3.589 673 HB3 GLU 80 HB3 GLU 80 -1.605 -13.021 -2.687 674 HG2 GLU 80 HG2 GLU 80 -2.380 -14.808 -3.924 675 HG3 GLU 80 HG3 GLU 80 -3.989 -14.130 -4.133 676 HA PRO 81 HA PRO 81 -2.130 -12.167 2.000 677 HB2 PRO 81 HB2 PRO 81 0.115 -13.748 2.246 678 HB3 PRO 81 HB3 PRO 81 -1.544 -14.312 2.597 679 HG2 PRO 81 HG2 PRO 81 0.045 -14.638 0.017 680 HG3 PRO 81 HG3 PRO 81 -0.876 -15.898 0.898 681 HD2 PRO 81 HD2 PRO 81 -1.925 -14.682 -1.221 682 HD3 PRO 81 HD3 PRO 81 -2.938 -15.047 0.205 683 H VAL 82 H VAL 82 -1.076 -10.163 2.003 684 HA VAL 82 HA VAL 82 1.187 -9.755 0.084 685 HB VAL 82 HB VAL 82 -0.815 -8.389 -0.463 686 HG11 VAL 82 HG11 VAL 82 -1.566 -6.601 0.924 687 HG12 VAL 82 HG12 VAL 82 -1.730 -8.139 1.819 688 HG13 VAL 82 HG13 VAL 82 -0.379 -7.032 2.177 689 HG21 VAL 82 HG21 VAL 82 1.417 -6.639 0.617 690 HG22 VAL 82 HG22 VAL 82 1.464 -7.534 -0.911 691 HG23 VAL 82 HG23 VAL 82 0.261 -6.270 -0.687 692 H ARG 83 H ARG 83 3.160 -8.877 0.988 693 HA ARG 83 HA ARG 83 3.107 -8.924 3.976 694 HB2 ARG 83 HB2 ARG 83 4.122 -10.824 2.264 695 HB3 ARG 83 HB3 ARG 83 5.535 -9.816 2.518 696 HG2 ARG 83 HG2 ARG 83 4.953 -9.968 5.067 697 HG3 ARG 83 HG3 ARG 83 3.836 -11.275 4.546 698 HD2 ARG 83 HD2 ARG 83 5.726 -12.346 3.401 699 HD3 ARG 83 HD3 ARG 83 6.817 -11.119 4.069 700 HE ARG 83 HE ARG 83 5.386 -12.384 6.198 701 HH11 ARG 83 HH11 ARG 83 7.736 -13.203 3.622 702 HH12 ARG 83 HH12 ARG 83 8.103 -14.746 4.299 703 HH21 ARG 83 HH21 ARG 83 6.423 -14.072 7.375 704 HH22 ARG 83 HH22 ARG 83 7.639 -15.083 6.661 705 H LYS 84 H LYS 84 2.882 -6.547 2.473 706 HA LYS 84 HA LYS 84 5.206 -5.463 1.508 707 HB2 LYS 84 HB2 LYS 84 4.034 -3.655 0.906 708 HB3 LYS 84 HB3 LYS 84 2.734 -4.779 1.184 709 HG2 LYS 84 HG2 LYS 84 3.611 -2.464 2.952 710 HG3 LYS 84 HG3 LYS 84 2.167 -2.588 1.972 711 HD2 LYS 84 HD2 LYS 84 1.696 -4.710 3.526 712 HD3 LYS 84 HD3 LYS 84 2.825 -3.820 4.600 713 HE2 LYS 84 HE2 LYS 84 0.837 -2.949 5.324 714 HE3 LYS 84 HE3 LYS 84 1.336 -1.767 4.108 715 HZ1 LYS 84 HZ1 LYS 84 -0.906 -3.532 4.157 716 HZ2 LYS 84 HZ2 LYS 84 -0.156 -3.467 2.662 717 HZ3 LYS 84 HZ3 LYS 84 -0.718 -2.111 3.391 718 H HIS 85 H HIS 85 6.403 -3.451 2.104 719 HA HIS 85 HA HIS 85 6.969 -3.217 5.026 720 HB2 HIS 85 HB2 HIS 85 8.448 -2.517 2.475 721 HB3 HIS 85 HB3 HIS 85 8.681 -1.458 3.853 722 HD1 HIS 85 HD1 HIS 85 10.450 -4.355 2.536 723 HD2 HIS 85 HD2 HIS 85 9.089 -3.018 6.302 724 HE1 HIS 85 HE1 HIS 85 11.589 -5.789 4.298 725 H TYR 86 H TYR 86 6.047 -1.409 6.092 726 HA TYR 86 HA TYR 86 4.914 0.729 4.384 727 HB2 TYR 86 HB2 TYR 86 3.021 1.002 5.739 728 HB3 TYR 86 HB3 TYR 86 3.050 -0.706 5.324 729 HD1 TYR 86 HD1 TYR 86 4.012 -2.354 7.136 730 HD2 TYR 86 HD2 TYR 86 2.959 1.760 7.966 731 HE1 TYR 86 HE1 TYR 86 4.054 -2.822 9.561 732 HE2 TYR 86 HE2 TYR 86 3.015 1.292 10.384 733 HH TYR 86 HH TYR 86 3.981 -0.301 11.963 734 H ASN 87 H ASN 87 5.090 2.838 5.334 735 HA ASN 87 HA ASN 87 6.532 3.011 7.900 736 HB2 ASN 87 HB2 ASN 87 8.166 3.056 6.007 737 HB3 ASN 87 HB3 ASN 87 7.405 4.541 5.416 738 HD21 ASN 87 HD21 ASN 87 8.865 6.232 6.021 739 HD22 ASN 87 HD22 ASN 87 9.514 6.350 7.637 740 H LEU 88 H LEU 88 5.434 4.294 9.120 741 HA LEU 88 HA LEU 88 3.334 6.130 8.219 742 HB2 LEU 88 HB2 LEU 88 4.629 5.767 10.950 743 HB3 LEU 88 HB3 LEU 88 3.077 6.522 10.616 744 HG LEU 88 HG LEU 88 3.602 3.557 10.106 745 HD11 LEU 88 HD11 LEU 88 2.506 4.873 12.625 746 HD12 LEU 88 HD12 LEU 88 4.015 3.963 12.477 747 HD13 LEU 88 HD13 LEU 88 2.462 3.134 12.271 748 HD21 LEU 88 HD21 LEU 88 1.212 3.352 10.079 749 HD22 LEU 88 HD22 LEU 88 1.636 4.691 8.998 750 HD23 LEU 88 HD23 LEU 88 0.994 5.034 10.606 751 H PHE 89 H PHE 89 3.645 8.440 8.094 752 HA PHE 89 HA PHE 89 5.948 9.574 9.393 753 HB2 PHE 89 HB2 PHE 89 6.952 10.643 7.533 754 HB3 PHE 89 HB3 PHE 89 6.998 8.908 7.293 755 HD1 PHE 89 HD1 PHE 89 4.630 8.110 5.869 756 HD2 PHE 89 HD2 PHE 89 6.965 11.723 5.513 757 HE1 PHE 89 HE1 PHE 89 3.841 8.414 3.549 758 HE2 PHE 89 HE2 PHE 89 6.249 11.939 3.160 759 HZ PHE 89 HZ PHE 89 4.635 10.304 2.183 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -0.644 14.117 -0.799 2 HA MET 1 HA MET 1 -1.541 15.618 -2.449 3 HB2 MET 1 HB2 MET 1 0.673 14.482 -4.150 4 HB3 MET 1 HB3 MET 1 -0.737 15.285 -4.859 5 HG2 MET 1 HG2 MET 1 1.078 16.575 -2.792 6 HG3 MET 1 HG3 MET 1 1.194 16.800 -4.526 7 HE1 MET 1 HE1 MET 1 -1.167 19.346 -1.743 8 HE2 MET 1 HE2 MET 1 -0.933 17.649 -1.276 9 HE3 MET 1 HE3 MET 1 0.472 18.674 -1.646 10 H GLU 2 H GLU 2 -3.006 13.990 -1.416 11 HA GLU 2 HA GLU 2 -4.489 12.290 -1.400 12 HB2 GLU 2 HB2 GLU 2 -5.179 13.851 -3.252 13 HB3 GLU 2 HB3 GLU 2 -4.705 12.578 -4.391 14 HG2 GLU 2 HG2 GLU 2 -6.371 11.084 -3.339 15 HG3 GLU 2 HG3 GLU 2 -6.727 12.300 -2.115 16 H VAL 3 H VAL 3 -4.975 10.107 -3.285 17 HA VAL 3 HA VAL 3 -2.764 8.449 -2.404 18 HB VAL 3 HB VAL 3 -4.926 7.521 -2.289 19 HG11 VAL 3 HG11 VAL 3 -6.348 7.043 -4.177 20 HG12 VAL 3 HG12 VAL 3 -6.198 8.765 -3.868 21 HG13 VAL 3 HG13 VAL 3 -5.308 8.046 -5.227 22 HG21 VAL 3 HG21 VAL 3 -3.090 5.948 -2.906 23 HG22 VAL 3 HG22 VAL 3 -4.680 5.417 -3.470 24 HG23 VAL 3 HG23 VAL 3 -3.532 6.134 -4.614 25 H LYS 4 H LYS 4 -1.103 7.670 -3.683 26 HA LYS 4 HA LYS 4 -1.124 8.286 -6.559 27 HB2 LYS 4 HB2 LYS 4 0.546 9.615 -4.668 28 HB3 LYS 4 HB3 LYS 4 1.558 8.309 -5.272 29 HG2 LYS 4 HG2 LYS 4 1.954 10.020 -6.809 30 HG3 LYS 4 HG3 LYS 4 0.739 9.067 -7.650 31 HD2 LYS 4 HD2 LYS 4 -0.890 10.782 -6.259 32 HD3 LYS 4 HD3 LYS 4 0.547 11.790 -6.378 33 HE2 LYS 4 HE2 LYS 4 0.515 11.398 -8.889 34 HE3 LYS 4 HE3 LYS 4 -0.986 10.474 -8.676 35 HZ1 LYS 4 HZ1 LYS 4 -1.551 12.682 -9.251 36 HZ2 LYS 4 HZ2 LYS 4 -0.556 13.324 -8.094 37 HZ3 LYS 4 HZ3 LYS 4 -1.946 12.490 -7.679 38 H ILE 5 H ILE 5 0.028 6.745 -7.777 39 HA ILE 5 HA ILE 5 1.288 4.484 -6.403 40 HB ILE 5 HB ILE 5 -0.639 4.263 -8.763 41 HG12 ILE 5 HG12 ILE 5 -0.771 2.819 -6.078 42 HG13 ILE 5 HG13 ILE 5 -1.666 4.296 -6.419 43 HG21 ILE 5 HG21 ILE 5 -0.001 1.790 -8.700 44 HG22 ILE 5 HG22 ILE 5 1.305 2.850 -9.194 45 HG23 ILE 5 HG23 ILE 5 1.263 2.224 -7.533 46 HD11 ILE 5 HD11 ILE 5 -2.023 1.706 -7.978 47 HD12 ILE 5 HD12 ILE 5 -3.074 2.340 -6.718 48 HD13 ILE 5 HD13 ILE 5 -2.888 3.235 -8.243 49 H GLU 6 H GLU 6 3.287 4.091 -7.388 50 HA GLU 6 HA GLU 6 3.552 4.673 -10.179 51 HB2 GLU 6 HB2 GLU 6 5.686 5.810 -10.100 52 HB3 GLU 6 HB3 GLU 6 4.394 6.808 -9.407 53 HG2 GLU 6 HG2 GLU 6 5.183 6.316 -7.142 54 HG3 GLU 6 HG3 GLU 6 6.367 5.188 -7.804 55 H LYS 7 H LYS 7 5.773 3.861 -10.995 56 HA LYS 7 HA LYS 7 6.433 1.421 -9.459 57 HB2 LYS 7 HB2 LYS 7 7.025 1.308 -12.327 58 HB3 LYS 7 HB3 LYS 7 6.581 0.093 -11.104 59 HG2 LYS 7 HG2 LYS 7 4.574 1.956 -12.352 60 HG3 LYS 7 HG3 LYS 7 4.965 0.292 -12.835 61 HD2 LYS 7 HD2 LYS 7 4.147 -0.708 -10.974 62 HD3 LYS 7 HD3 LYS 7 4.350 0.717 -10.008 63 HE2 LYS 7 HE2 LYS 7 2.117 1.086 -10.262 64 HE3 LYS 7 HE3 LYS 7 2.470 1.553 -11.931 65 HZ1 LYS 7 HZ1 LYS 7 0.762 -0.127 -11.886 66 HZ2 LYS 7 HZ2 LYS 7 1.623 -1.095 -10.912 67 HZ3 LYS 7 HZ3 LYS 7 2.101 -0.873 -12.480 68 HA PRO 8 HA PRO 8 9.759 4.577 -9.476 69 HB2 PRO 8 HB2 PRO 8 10.726 4.178 -6.906 70 HB3 PRO 8 HB3 PRO 8 9.246 5.104 -7.299 71 HG2 PRO 8 HG2 PRO 8 9.450 2.248 -6.330 72 HG3 PRO 8 HG3 PRO 8 8.341 3.531 -5.859 73 HD2 PRO 8 HD2 PRO 8 7.767 1.520 -7.666 74 HD3 PRO 8 HD3 PRO 8 6.984 3.122 -7.667 75 H THR 9 H THR 9 12.191 4.473 -8.733 76 HA THR 9 HA THR 9 13.464 2.204 -10.013 77 HB THR 9 HB THR 9 14.692 4.093 -10.366 78 HG1 THR 9 HG1 THR 9 16.571 3.996 -9.118 79 HG21 THR 9 HG21 THR 9 15.325 5.761 -8.549 80 HG22 THR 9 HG22 THR 9 14.168 4.915 -7.505 81 HG23 THR 9 HG23 THR 9 13.614 5.717 -8.985 82 HA PRO 10 HA PRO 10 13.754 -0.203 -6.198 83 HB2 PRO 10 HB2 PRO 10 15.787 -1.906 -6.829 84 HB3 PRO 10 HB3 PRO 10 14.164 -2.030 -7.583 85 HG2 PRO 10 HG2 PRO 10 16.637 -0.651 -8.681 86 HG3 PRO 10 HG3 PRO 10 15.576 -1.832 -9.521 87 HD2 PRO 10 HD2 PRO 10 15.301 0.851 -9.842 88 HD3 PRO 10 HD3 PRO 10 13.866 -0.214 -9.788 89 H GLU 11 H GLU 11 16.469 1.683 -7.552 90 HA GLU 11 HA GLU 11 18.239 1.081 -5.343 91 HB2 GLU 11 HB2 GLU 11 18.301 3.072 -7.644 92 HB3 GLU 11 HB3 GLU 11 19.556 2.992 -6.421 93 HG2 GLU 11 HG2 GLU 11 18.753 0.684 -8.124 94 HG3 GLU 11 HG3 GLU 11 20.160 1.700 -8.392 95 H LYS 12 H LYS 12 16.254 3.986 -6.185 96 HA LYS 12 HA LYS 12 16.857 5.488 -3.881 97 HB2 LYS 12 HB2 LYS 12 15.452 6.337 -5.730 98 HB3 LYS 12 HB3 LYS 12 14.150 5.223 -5.283 99 HG2 LYS 12 HG2 LYS 12 15.115 6.977 -3.065 100 HG3 LYS 12 HG3 LYS 12 14.394 7.836 -4.403 101 HD2 LYS 12 HD2 LYS 12 12.985 5.605 -2.923 102 HD3 LYS 12 HD3 LYS 12 12.903 7.349 -2.573 103 HE2 LYS 12 HE2 LYS 12 12.183 7.664 -5.008 104 HE3 LYS 12 HE3 LYS 12 11.875 5.924 -5.047 105 HZ1 LYS 12 HZ1 LYS 12 10.292 6.269 -3.204 106 HZ2 LYS 12 HZ2 LYS 12 9.901 7.289 -4.454 107 HZ3 LYS 12 HZ3 LYS 12 10.681 7.855 -3.153 108 H LEU 13 H LEU 13 14.509 2.865 -4.280 109 HA LEU 13 HA LEU 13 13.348 3.069 -1.716 110 HB2 LEU 13 HB2 LEU 13 13.720 0.705 -3.589 111 HB3 LEU 13 HB3 LEU 13 12.762 0.627 -2.136 112 HG LEU 13 HG LEU 13 12.184 2.618 -4.371 113 HD11 LEU 13 HD11 LEU 13 11.990 0.403 -5.304 114 HD12 LEU 13 HD12 LEU 13 10.372 0.951 -4.939 115 HD13 LEU 13 HD13 LEU 13 11.170 -0.203 -3.852 116 HD21 LEU 13 HD21 LEU 13 10.444 1.576 -2.095 117 HD22 LEU 13 HD22 LEU 13 9.964 2.732 -3.355 118 HD23 LEU 13 HD23 LEU 13 11.188 3.191 -2.168 119 H LYS 14 H LYS 14 16.484 1.531 -2.707 120 HA LYS 14 HA LYS 14 16.895 0.001 -0.328 121 HB2 LYS 14 HB2 LYS 14 18.930 1.435 -2.085 122 HB3 LYS 14 HB3 LYS 14 19.268 0.184 -0.931 123 HG2 LYS 14 HG2 LYS 14 17.237 -0.574 -3.003 124 HG3 LYS 14 HG3 LYS 14 18.852 -0.195 -3.613 125 HD2 LYS 14 HD2 LYS 14 19.806 -1.755 -2.031 126 HD3 LYS 14 HD3 LYS 14 18.207 -2.186 -1.404 127 HE2 LYS 14 HE2 LYS 14 18.764 -3.914 -2.959 128 HE3 LYS 14 HE3 LYS 14 17.585 -2.889 -3.779 129 HZ1 LYS 14 HZ1 LYS 14 19.452 -3.439 -5.187 130 HZ2 LYS 14 HZ2 LYS 14 20.514 -2.772 -4.162 131 HZ3 LYS 14 HZ3 LYS 14 19.450 -1.818 -4.973 132 H GLU 15 H GLU 15 17.585 3.319 -1.358 133 HA GLU 15 HA GLU 15 19.242 3.952 0.878 134 HB2 GLU 15 HB2 GLU 15 17.767 6.010 -0.800 135 HB3 GLU 15 HB3 GLU 15 19.217 6.174 0.193 136 HG2 GLU 15 HG2 GLU 15 20.084 4.286 -1.522 137 HG3 GLU 15 HG3 GLU 15 18.893 5.050 -2.559 138 H LEU 16 H LEU 16 15.867 4.676 0.107 139 HA LEU 16 HA LEU 16 15.089 6.105 2.392 140 HB2 LEU 16 HB2 LEU 16 13.572 4.018 0.772 141 HB3 LEU 16 HB3 LEU 16 12.853 5.060 1.981 142 HG LEU 16 HG LEU 16 13.954 5.831 -0.718 143 HD11 LEU 16 HD11 LEU 16 11.679 5.002 -0.631 144 HD12 LEU 16 HD12 LEU 16 11.650 6.746 -0.957 145 HD13 LEU 16 HD13 LEU 16 11.264 6.157 0.661 146 HD21 LEU 16 HD21 LEU 16 14.764 7.592 0.766 147 HD22 LEU 16 HD22 LEU 16 13.125 7.781 1.438 148 HD23 LEU 16 HD23 LEU 16 13.457 8.177 -0.255 149 H SER 17 H SER 17 16.016 2.835 2.143 150 HA SER 17 HA SER 17 16.494 1.226 3.612 151 HB2 SER 17 HB2 SER 17 16.086 3.341 5.747 152 HB3 SER 17 HB3 SER 17 16.953 1.814 5.904 153 HG SER 17 HG SER 17 17.660 3.789 3.971 154 H VAL 18 H VAL 18 14.096 1.189 2.496 155 HA VAL 18 HA VAL 18 11.811 1.055 4.011 156 HB VAL 18 HB VAL 18 12.661 -0.483 1.536 157 HG11 VAL 18 HG11 VAL 18 10.724 -1.649 2.444 158 HG12 VAL 18 HG12 VAL 18 9.839 -0.108 2.583 159 HG13 VAL 18 HG13 VAL 18 10.280 -0.761 0.984 160 HG21 VAL 18 HG21 VAL 18 12.648 2.019 1.359 161 HG22 VAL 18 HG22 VAL 18 11.414 1.277 0.339 162 HG23 VAL 18 HG23 VAL 18 10.965 2.028 1.894 163 H GLU 19 H GLU 19 14.314 -1.502 3.820 164 HA GLU 19 HA GLU 19 12.762 -3.524 5.115 165 HB2 GLU 19 HB2 GLU 19 15.007 -4.507 5.646 166 HB3 GLU 19 HB3 GLU 19 14.731 -4.147 3.944 167 HG2 GLU 19 HG2 GLU 19 16.095 -2.124 4.071 168 HG3 GLU 19 HG3 GLU 19 16.246 -2.275 5.822 169 H LYS 20 H LYS 20 14.223 -0.621 6.416 170 HA LYS 20 HA LYS 20 14.313 -1.599 9.176 171 HB2 LYS 20 HB2 LYS 20 14.575 1.278 8.217 172 HB3 LYS 20 HB3 LYS 20 14.997 0.615 9.800 173 HG2 LYS 20 HG2 LYS 20 16.617 -0.936 8.600 174 HG3 LYS 20 HG3 LYS 20 16.306 0.026 7.139 175 HD2 LYS 20 HD2 LYS 20 17.335 1.979 8.096 176 HD3 LYS 20 HD3 LYS 20 17.365 1.249 9.725 177 HE2 LYS 20 HE2 LYS 20 18.961 -0.385 9.126 178 HE3 LYS 20 HE3 LYS 20 18.743 -0.132 7.399 179 HZ1 LYS 20 HZ1 LYS 20 20.025 1.758 7.438 180 HZ2 LYS 20 HZ2 LYS 20 20.780 0.765 8.507 181 HZ3 LYS 20 HZ3 LYS 20 19.875 1.998 9.082 182 H TRP 21 H TRP 21 11.914 -0.562 7.009 183 HA TRP 21 HA TRP 21 10.235 0.805 8.942 184 HB2 TRP 21 HB2 TRP 21 9.508 -0.289 6.199 185 HB3 TRP 21 HB3 TRP 21 8.646 0.868 7.166 186 HD1 TRP 21 HD1 TRP 21 12.065 2.107 7.417 187 HE1 TRP 21 HE1 TRP 21 12.314 4.116 6.022 188 HE3 TRP 21 HE3 TRP 21 8.046 1.445 4.280 189 HZ2 TRP 21 HZ2 TRP 21 11.197 5.239 3.586 190 HZ3 TRP 21 HZ3 TRP 21 7.619 3.090 2.461 191 HH2 TRP 21 HH2 TRP 21 9.150 5.043 2.161 192 HA PRO 22 HA PRO 22 8.490 -3.098 10.342 193 HB2 PRO 22 HB2 PRO 22 5.780 -2.604 10.567 194 HB3 PRO 22 HB3 PRO 22 7.024 -2.020 11.710 195 HG2 PRO 22 HG2 PRO 22 5.790 -0.516 9.393 196 HG3 PRO 22 HG3 PRO 22 6.010 0.043 11.079 197 HD2 PRO 22 HD2 PRO 22 7.785 0.737 9.166 198 HD3 PRO 22 HD3 PRO 22 8.363 0.260 10.775 199 H ILE 23 H ILE 23 7.844 -5.004 9.473 200 HA ILE 23 HA ILE 23 6.736 -5.135 6.740 201 HB ILE 23 HB ILE 23 7.653 -7.237 8.757 202 HG12 ILE 23 HG12 ILE 23 8.548 -6.550 5.930 203 HG13 ILE 23 HG13 ILE 23 9.404 -6.077 7.379 204 HG21 ILE 23 HG21 ILE 23 6.307 -7.847 6.083 205 HG22 ILE 23 HG22 ILE 23 7.050 -9.032 7.179 206 HG23 ILE 23 HG23 ILE 23 5.635 -8.184 7.700 207 HD11 ILE 23 HD11 ILE 23 10.499 -7.953 6.328 208 HD12 ILE 23 HD12 ILE 23 9.853 -8.463 7.902 209 HD13 ILE 23 HD13 ILE 23 9.050 -8.939 6.399 210 H TRP 24 H TRP 24 4.672 -5.877 6.353 211 HA TRP 24 HA TRP 24 3.032 -6.843 8.538 212 HB2 TRP 24 HB2 TRP 24 2.645 -4.449 8.645 213 HB3 TRP 24 HB3 TRP 24 2.344 -4.353 6.918 214 HD1 TRP 24 HD1 TRP 24 0.642 -4.570 10.142 215 HE1 TRP 24 HE1 TRP 24 -1.880 -4.649 9.792 216 HE3 TRP 24 HE3 TRP 24 0.618 -5.943 5.254 217 HZ2 TRP 24 HZ2 TRP 24 -3.704 -5.170 7.544 218 HZ3 TRP 24 HZ3 TRP 24 -1.518 -6.086 3.993 219 HH2 TRP 24 HH2 TRP 24 -3.632 -5.566 5.122 220 H GLU 25 H GLU 25 1.492 -8.348 7.643 221 HA GLU 25 HA GLU 25 1.474 -8.794 4.763 222 HB2 GLU 25 HB2 GLU 25 1.132 -11.100 6.567 223 HB3 GLU 25 HB3 GLU 25 2.007 -10.864 5.066 224 HG2 GLU 25 HG2 GLU 25 3.660 -11.431 6.521 225 HG3 GLU 25 HG3 GLU 25 3.853 -9.699 6.372 226 H LYS 26 H LYS 26 -0.714 -10.158 4.287 227 HA LYS 26 HA LYS 26 -2.499 -10.341 6.510 228 HB2 LYS 26 HB2 LYS 26 -2.914 -8.102 4.706 229 HB3 LYS 26 HB3 LYS 26 -4.251 -9.225 4.510 230 HG2 LYS 26 HG2 LYS 26 -3.274 -8.080 7.125 231 HG3 LYS 26 HG3 LYS 26 -4.557 -7.374 6.166 232 HD2 LYS 26 HD2 LYS 26 -6.013 -9.243 6.558 233 HD3 LYS 26 HD3 LYS 26 -4.733 -10.132 7.357 234 HE2 LYS 26 HE2 LYS 26 -4.680 -7.681 8.678 235 HE3 LYS 26 HE3 LYS 26 -6.405 -7.845 8.320 236 HZ1 LYS 26 HZ1 LYS 26 -4.728 -9.822 9.768 237 HZ2 LYS 26 HZ2 LYS 26 -6.350 -9.977 9.517 238 HZ3 LYS 26 HZ3 LYS 26 -5.761 -8.756 10.458 239 H GLU 27 H GLU 27 -4.458 -11.549 5.859 240 HA GLU 27 HA GLU 27 -3.645 -13.853 4.302 241 HB2 GLU 27 HB2 GLU 27 -5.263 -13.310 6.525 242 HB3 GLU 27 HB3 GLU 27 -6.408 -13.847 5.353 243 HG2 GLU 27 HG2 GLU 27 -3.829 -15.369 5.990 244 HG3 GLU 27 HG3 GLU 27 -5.306 -15.559 6.942 245 H VAL 28 H VAL 28 -5.816 -14.785 3.252 246 HA VAL 28 HA VAL 28 -6.255 -13.214 0.839 247 HB VAL 28 HB VAL 28 -5.853 -15.692 0.994 248 HG11 VAL 28 HG11 VAL 28 -7.659 -17.233 1.410 249 HG12 VAL 28 HG12 VAL 28 -7.368 -16.257 2.856 250 HG13 VAL 28 HG13 VAL 28 -8.763 -15.892 1.825 251 HG21 VAL 28 HG21 VAL 28 -7.197 -16.246 -0.892 252 HG22 VAL 28 HG22 VAL 28 -8.379 -15.001 -0.441 253 HG23 VAL 28 HG23 VAL 28 -6.773 -14.516 -1.011 254 H SER 29 H SER 29 -7.746 -13.038 3.755 255 HA SER 29 HA SER 29 -10.529 -12.674 2.987 256 HB2 SER 29 HB2 SER 29 -8.850 -12.767 5.370 257 HB3 SER 29 HB3 SER 29 -10.002 -11.423 5.485 258 HG SER 29 HG SER 29 -10.510 -14.194 5.021 259 H GLU 30 H GLU 30 -11.498 -10.423 3.863 260 HA GLU 30 HA GLU 30 -9.956 -8.191 2.644 261 HB2 GLU 30 HB2 GLU 30 -11.801 -7.616 1.186 262 HB3 GLU 30 HB3 GLU 30 -11.350 -9.305 0.891 263 HG2 GLU 30 HG2 GLU 30 -13.229 -9.832 2.652 264 HG3 GLU 30 HG3 GLU 30 -13.771 -8.198 2.322 265 H PHE 31 H PHE 31 -10.870 -6.095 3.190 266 HA PHE 31 HA PHE 31 -12.629 -5.803 5.479 267 HB2 PHE 31 HB2 PHE 31 -10.746 -5.036 6.988 268 HB3 PHE 31 HB3 PHE 31 -10.816 -6.753 6.695 269 HD1 PHE 31 HD1 PHE 31 -8.906 -3.652 5.943 270 HD2 PHE 31 HD2 PHE 31 -9.015 -7.961 5.643 271 HE1 PHE 31 HE1 PHE 31 -6.587 -3.635 5.136 272 HE2 PHE 31 HE2 PHE 31 -6.651 -7.946 4.891 273 HZ PHE 31 HZ PHE 31 -5.507 -5.787 4.494 274 H ASP 32 H ASP 32 -11.535 -3.335 6.414 275 HA ASP 32 HA ASP 32 -10.907 -1.727 4.042 276 HB2 ASP 32 HB2 ASP 32 -12.328 0.016 4.655 277 HB3 ASP 32 HB3 ASP 32 -13.329 -1.435 4.561 278 H TRP 33 H TRP 33 -9.799 0.287 4.734 279 HA TRP 33 HA TRP 33 -8.586 0.163 7.447 280 HB2 TRP 33 HB2 TRP 33 -7.092 -0.990 5.856 281 HB3 TRP 33 HB3 TRP 33 -7.031 0.439 4.850 282 HD1 TRP 33 HD1 TRP 33 -5.402 2.405 5.691 283 HE1 TRP 33 HE1 TRP 33 -3.353 2.352 7.286 284 HE3 TRP 33 HE3 TRP 33 -6.661 -1.654 8.480 285 HZ2 TRP 33 HZ2 TRP 33 -2.231 0.515 9.150 286 HZ3 TRP 33 HZ3 TRP 33 -5.145 -2.496 10.232 287 HH2 TRP 33 HH2 TRP 33 -2.856 -1.483 10.513 288 H TYR 34 H TYR 34 -8.020 2.125 8.263 289 HA TYR 34 HA TYR 34 -9.000 4.534 6.830 290 HB2 TYR 34 HB2 TYR 34 -10.210 3.556 8.894 291 HB3 TYR 34 HB3 TYR 34 -8.863 4.161 9.836 292 HD1 TYR 34 HD1 TYR 34 -8.289 6.851 8.822 293 HD2 TYR 34 HD2 TYR 34 -12.082 4.816 9.111 294 HE1 TYR 34 HE1 TYR 34 -9.413 9.019 8.961 295 HE2 TYR 34 HE2 TYR 34 -13.233 6.982 9.386 296 HH TYR 34 HH TYR 34 -11.509 10.055 8.887 297 H TYR 35 H TYR 35 -7.138 5.263 5.937 298 HA TYR 35 HA TYR 35 -4.573 5.387 7.337 299 HB2 TYR 35 HB2 TYR 35 -5.601 6.733 4.794 300 HB3 TYR 35 HB3 TYR 35 -3.963 6.865 5.416 301 HD1 TYR 35 HD1 TYR 35 -2.776 4.623 5.962 302 HD2 TYR 35 HD2 TYR 35 -6.068 4.936 3.236 303 HE1 TYR 35 HE1 TYR 35 -2.194 2.396 5.035 304 HE2 TYR 35 HE2 TYR 35 -5.470 2.761 2.236 305 HH TYR 35 HH TYR 35 -3.601 0.495 3.741 306 H ASP 36 H ASP 36 -4.334 6.793 8.997 307 HA ASP 36 HA ASP 36 -5.894 9.309 8.965 308 HB2 ASP 36 HB2 ASP 36 -6.187 9.404 11.138 309 HB3 ASP 36 HB3 ASP 36 -6.508 7.712 10.829 310 H THR 37 H THR 37 -2.924 8.019 8.401 311 HA THR 37 HA THR 37 -1.667 10.660 8.406 312 HB THR 37 HB THR 37 0.470 9.173 9.196 313 HG1 THR 37 HG1 THR 37 -0.236 8.023 11.054 314 HG21 THR 37 HG21 THR 37 -0.034 10.411 11.400 315 HG22 THR 37 HG22 THR 37 -1.554 10.933 10.632 316 HG23 THR 37 HG23 THR 37 -0.015 11.373 9.910 317 H ASN 38 H ASN 38 0.514 10.516 7.409 318 HA ASN 38 HA ASN 38 0.305 9.573 4.663 319 HB2 ASN 38 HB2 ASN 38 2.886 10.361 6.052 320 HB3 ASN 38 HB3 ASN 38 2.403 10.565 4.384 321 HD21 ASN 38 HD21 ASN 38 2.444 11.960 7.593 322 HD22 ASN 38 HD22 ASN 38 1.804 13.519 7.107 323 H GLU 39 H GLU 39 0.275 7.357 4.521 324 HA GLU 39 HA GLU 39 2.106 5.754 6.271 325 HB2 GLU 39 HB2 GLU 39 -0.241 5.629 6.943 326 HB3 GLU 39 HB3 GLU 39 -0.702 5.134 5.298 327 HG2 GLU 39 HG2 GLU 39 0.596 3.090 5.484 328 HG3 GLU 39 HG3 GLU 39 1.370 3.626 6.935 329 H THR 40 H THR 40 3.772 5.763 4.581 330 HA THR 40 HA THR 40 2.989 5.174 1.840 331 HB THR 40 HB THR 40 5.727 5.132 3.223 332 HG1 THR 40 HG1 THR 40 5.910 7.096 2.573 333 HG21 THR 40 HG21 THR 40 6.764 5.306 1.009 334 HG22 THR 40 HG22 THR 40 5.180 5.140 0.224 335 HG23 THR 40 HG23 THR 40 5.892 3.784 1.123 336 H CYS 41 H CYS 41 3.438 3.176 0.691 337 HA CYS 41 HA CYS 41 4.594 1.092 2.296 338 HB2 CYS 41 HB2 CYS 41 2.904 -0.606 1.748 339 HB3 CYS 41 HB3 CYS 41 2.292 0.634 2.856 340 HG CYS 41 HG CYS 41 0.319 0.120 1.371 341 H TYR 42 H TYR 42 5.517 -0.532 1.156 342 HA TYR 42 HA TYR 42 5.645 -0.246 -1.811 343 HB2 TYR 42 HB2 TYR 42 7.701 0.596 -0.668 344 HB3 TYR 42 HB3 TYR 42 7.934 -0.983 0.062 345 HD1 TYR 42 HD1 TYR 42 7.286 0.608 -3.248 346 HD2 TYR 42 HD2 TYR 42 9.162 -2.618 -1.145 347 HE1 TYR 42 HE1 TYR 42 8.204 -0.205 -5.401 348 HE2 TYR 42 HE2 TYR 42 10.059 -3.496 -3.319 349 HH TYR 42 HH TYR 42 10.442 -2.956 -5.611 350 H ILE 43 H ILE 43 4.681 -1.959 -2.597 351 HA ILE 43 HA ILE 43 4.040 -4.457 -1.236 352 HB ILE 43 HB ILE 43 3.871 -4.056 -4.210 353 HG12 ILE 43 HG12 ILE 43 3.005 -1.937 -3.477 354 HG13 ILE 43 HG13 ILE 43 1.745 -2.905 -4.214 355 HG21 ILE 43 HG21 ILE 43 3.206 -6.188 -3.040 356 HG22 ILE 43 HG22 ILE 43 1.934 -5.273 -2.236 357 HG23 ILE 43 HG23 ILE 43 1.921 -5.452 -4.005 358 HD11 ILE 43 HD11 ILE 43 1.038 -1.604 -2.226 359 HD12 ILE 43 HD12 ILE 43 0.761 -3.343 -2.033 360 HD13 ILE 43 HD13 ILE 43 2.147 -2.553 -1.221 361 H LEU 44 H LEU 44 5.246 -6.360 -1.490 362 HA LEU 44 HA LEU 44 7.405 -6.324 -3.563 363 HB2 LEU 44 HB2 LEU 44 7.667 -7.571 -0.810 364 HB3 LEU 44 HB3 LEU 44 8.863 -7.554 -2.096 365 HG LEU 44 HG LEU 44 8.219 -4.813 -1.684 366 HD11 LEU 44 HD11 LEU 44 8.704 -6.173 0.989 367 HD12 LEU 44 HD12 LEU 44 7.152 -5.509 0.453 368 HD13 LEU 44 HD13 LEU 44 8.521 -4.412 0.665 369 HD21 LEU 44 HD21 LEU 44 10.617 -6.285 -0.600 370 HD22 LEU 44 HD22 LEU 44 10.486 -4.556 -0.947 371 HD23 LEU 44 HD23 LEU 44 10.420 -5.732 -2.276 372 H GLU 45 H GLU 45 4.826 -8.133 -1.855 373 HA GLU 45 HA GLU 45 4.657 -9.893 -4.115 374 HB2 GLU 45 HB2 GLU 45 4.756 -11.965 -2.889 375 HB3 GLU 45 HB3 GLU 45 6.296 -11.115 -2.874 376 HG2 GLU 45 HG2 GLU 45 5.576 -10.187 -0.548 377 HG3 GLU 45 HG3 GLU 45 4.392 -11.493 -0.550 378 H GLY 46 H GLY 46 2.576 -11.043 -4.072 379 HA2 GLY 46 HA2 GLY 46 0.369 -11.284 -3.500 380 HA3 GLY 46 HA3 GLY 46 0.555 -10.217 -2.124 381 H LYS 47 H LYS 47 -1.640 -9.544 -3.175 382 HA LYS 47 HA LYS 47 -1.296 -7.395 -5.204 383 HB2 LYS 47 HB2 LYS 47 -1.732 -9.743 -6.268 384 HB3 LYS 47 HB3 LYS 47 -3.316 -9.649 -5.495 385 HG2 LYS 47 HG2 LYS 47 -2.539 -7.245 -7.128 386 HG3 LYS 47 HG3 LYS 47 -2.783 -8.741 -8.037 387 HD2 LYS 47 HD2 LYS 47 -4.985 -8.995 -7.355 388 HD3 LYS 47 HD3 LYS 47 -4.823 -7.896 -5.994 389 HE2 LYS 47 HE2 LYS 47 -5.976 -6.487 -7.272 390 HE3 LYS 47 HE3 LYS 47 -4.369 -6.108 -7.895 391 HZ1 LYS 47 HZ1 LYS 47 -6.166 -8.115 -9.181 392 HZ2 LYS 47 HZ2 LYS 47 -4.753 -7.469 -9.747 393 HZ3 LYS 47 HZ3 LYS 47 -6.068 -6.528 -9.636 394 H VAL 48 H VAL 48 -3.048 -5.835 -4.926 395 HA VAL 48 HA VAL 48 -5.265 -6.701 -3.181 396 HB VAL 48 HB VAL 48 -3.696 -4.095 -2.867 397 HG11 VAL 48 HG11 VAL 48 -6.030 -3.758 -2.154 398 HG12 VAL 48 HG12 VAL 48 -5.901 -5.162 -1.066 399 HG13 VAL 48 HG13 VAL 48 -4.930 -3.701 -0.802 400 HG21 VAL 48 HG21 VAL 48 -3.755 -6.487 -0.994 401 HG22 VAL 48 HG22 VAL 48 -2.379 -5.984 -1.994 402 HG23 VAL 48 HG23 VAL 48 -2.930 -4.925 -0.715 403 H GLU 49 H GLU 49 -7.198 -5.486 -3.421 404 HA GLU 49 HA GLU 49 -7.312 -3.440 -5.543 405 HB2 GLU 49 HB2 GLU 49 -9.281 -5.652 -4.814 406 HB3 GLU 49 HB3 GLU 49 -9.804 -4.128 -5.556 407 HG2 GLU 49 HG2 GLU 49 -8.129 -4.512 -7.370 408 HG3 GLU 49 HG3 GLU 49 -7.828 -6.126 -6.717 409 H VAL 50 H VAL 50 -7.315 -1.576 -4.387 410 HA VAL 50 HA VAL 50 -8.837 -1.420 -1.826 411 HB VAL 50 HB VAL 50 -6.929 0.567 -3.137 412 HG11 VAL 50 HG11 VAL 50 -6.959 1.808 -1.066 413 HG12 VAL 50 HG12 VAL 50 -8.615 1.653 -1.661 414 HG13 VAL 50 HG13 VAL 50 -8.052 0.632 -0.322 415 HG21 VAL 50 HG21 VAL 50 -5.608 -1.314 -2.445 416 HG22 VAL 50 HG22 VAL 50 -5.377 -0.032 -1.263 417 HG23 VAL 50 HG23 VAL 50 -6.456 -1.395 -0.881 418 H THR 51 H THR 51 -10.913 -1.027 -2.159 419 HA THR 51 HA THR 51 -11.725 0.415 -4.626 420 HB THR 51 HB THR 51 -13.332 -1.542 -3.001 421 HG1 THR 51 HG1 THR 51 -12.231 -2.982 -3.866 422 HG21 THR 51 HG21 THR 51 -14.687 -1.666 -5.125 423 HG22 THR 51 HG22 THR 51 -13.666 -0.395 -5.828 424 HG23 THR 51 HG23 THR 51 -14.698 -0.035 -4.430 425 H THR 52 H THR 52 -12.346 2.495 -4.203 426 HA THR 52 HA THR 52 -12.655 3.294 -1.461 427 HB THR 52 HB THR 52 -12.617 5.521 -2.289 428 HG1 THR 52 HG1 THR 52 -12.834 6.047 -4.391 429 HG21 THR 52 HG21 THR 52 -10.620 5.618 -3.632 430 HG22 THR 52 HG22 THR 52 -10.823 3.952 -4.198 431 HG23 THR 52 HG23 THR 52 -10.434 4.276 -2.505 432 H GLU 53 H GLU 53 -14.290 4.870 -0.812 433 HA GLU 53 HA GLU 53 -16.965 3.903 -0.893 434 HB2 GLU 53 HB2 GLU 53 -15.875 5.369 0.815 435 HB3 GLU 53 HB3 GLU 53 -15.812 6.671 -0.376 436 HG2 GLU 53 HG2 GLU 53 -18.351 6.629 -0.441 437 HG3 GLU 53 HG3 GLU 53 -18.296 5.489 0.925 438 H ASP 54 H ASP 54 -15.076 6.038 -2.975 439 HA ASP 54 HA ASP 54 -17.320 7.042 -4.569 440 HB2 ASP 54 HB2 ASP 54 -15.009 8.153 -3.881 441 HB3 ASP 54 HB3 ASP 54 -14.417 7.334 -5.331 442 H GLY 55 H GLY 55 -16.126 4.072 -4.292 443 HA2 GLY 55 HA2 GLY 55 -16.311 2.228 -5.523 444 HA3 GLY 55 HA3 GLY 55 -17.067 3.190 -6.806 445 H LYS 56 H LYS 56 -14.086 4.564 -6.252 446 HA LYS 56 HA LYS 56 -12.938 3.686 -8.752 447 HB2 LYS 56 HB2 LYS 56 -11.617 5.002 -6.328 448 HB3 LYS 56 HB3 LYS 56 -10.887 4.867 -7.918 449 HG2 LYS 56 HG2 LYS 56 -13.540 6.276 -7.559 450 HG3 LYS 56 HG3 LYS 56 -12.026 7.084 -7.152 451 HD2 LYS 56 HD2 LYS 56 -11.200 6.732 -9.450 452 HD3 LYS 56 HD3 LYS 56 -12.720 5.898 -9.867 453 HE2 LYS 56 HE2 LYS 56 -13.940 8.031 -9.111 454 HE3 LYS 56 HE3 LYS 56 -12.348 8.798 -8.984 455 HZ1 LYS 56 HZ1 LYS 56 -13.800 7.949 -11.370 456 HZ2 LYS 56 HZ2 LYS 56 -12.133 7.994 -11.413 457 HZ3 LYS 56 HZ3 LYS 56 -13.003 9.345 -11.073 458 H LYS 57 H LYS 57 -11.522 1.948 -9.071 459 HA LYS 57 HA LYS 57 -10.528 0.576 -6.611 460 HB2 LYS 57 HB2 LYS 57 -10.776 -0.324 -9.482 461 HB3 LYS 57 HB3 LYS 57 -9.472 -0.952 -8.483 462 HG2 LYS 57 HG2 LYS 57 -11.132 -1.508 -6.695 463 HG3 LYS 57 HG3 LYS 57 -12.433 -1.075 -7.826 464 HD2 LYS 57 HD2 LYS 57 -11.437 -2.804 -9.417 465 HD3 LYS 57 HD3 LYS 57 -10.303 -3.223 -8.123 466 HE2 LYS 57 HE2 LYS 57 -12.064 -4.822 -7.945 467 HE3 LYS 57 HE3 LYS 57 -12.331 -3.666 -6.627 468 HZ1 LYS 57 HZ1 LYS 57 -14.382 -4.050 -7.727 469 HZ2 LYS 57 HZ2 LYS 57 -13.720 -3.811 -9.230 470 HZ3 LYS 57 HZ3 LYS 57 -13.915 -2.551 -8.201 471 H TYR 58 H TYR 58 -8.461 0.324 -6.212 472 HA TYR 58 HA TYR 58 -6.407 1.462 -8.003 473 HB2 TYR 58 HB2 TYR 58 -6.481 1.474 -4.964 474 HB3 TYR 58 HB3 TYR 58 -5.065 1.811 -5.927 475 HD1 TYR 58 HD1 TYR 58 -8.564 2.941 -5.232 476 HD2 TYR 58 HD2 TYR 58 -4.694 3.997 -6.780 477 HE1 TYR 58 HE1 TYR 58 -9.340 5.291 -5.562 478 HE2 TYR 58 HE2 TYR 58 -5.410 6.403 -6.901 479 HH TYR 58 HH TYR 58 -8.148 7.300 -7.469 480 H VAL 59 H VAL 59 -5.856 -0.307 -8.935 481 HA VAL 59 HA VAL 59 -5.593 -2.936 -7.549 482 HB VAL 59 HB VAL 59 -5.475 -2.038 -10.460 483 HG11 VAL 59 HG11 VAL 59 -4.976 -4.518 -10.947 484 HG12 VAL 59 HG12 VAL 59 -3.635 -3.533 -10.355 485 HG13 VAL 59 HG13 VAL 59 -4.465 -4.633 -9.252 486 HG21 VAL 59 HG21 VAL 59 -7.252 -3.618 -10.801 487 HG22 VAL 59 HG22 VAL 59 -7.034 -4.327 -9.200 488 HG23 VAL 59 HG23 VAL 59 -7.703 -2.688 -9.362 489 H ILE 60 H ILE 60 -3.504 -3.665 -7.091 490 HA ILE 60 HA ILE 60 -1.177 -2.155 -8.007 491 HB ILE 60 HB ILE 60 -0.411 -2.337 -5.471 492 HG12 ILE 60 HG12 ILE 60 -3.419 -1.922 -5.164 493 HG13 ILE 60 HG13 ILE 60 -2.485 -3.288 -4.570 494 HG21 ILE 60 HG21 ILE 60 -0.636 -0.298 -7.020 495 HG22 ILE 60 HG22 ILE 60 -2.171 0.007 -6.183 496 HG23 ILE 60 HG23 ILE 60 -0.625 -0.054 -5.283 497 HD11 ILE 60 HD11 ILE 60 -2.948 -1.802 -2.729 498 HD12 ILE 60 HD12 ILE 60 -1.216 -1.670 -3.110 499 HD13 ILE 60 HD13 ILE 60 -2.359 -0.392 -3.618 500 H GLU 61 H GLU 61 0.175 -3.546 -8.693 501 HA GLU 61 HA GLU 61 0.107 -6.380 -7.876 502 HB2 GLU 61 HB2 GLU 61 1.947 -4.904 -9.817 503 HB3 GLU 61 HB3 GLU 61 1.998 -6.629 -9.435 504 HG2 GLU 61 HG2 GLU 61 1.002 -6.603 -11.472 505 HG3 GLU 61 HG3 GLU 61 -0.271 -6.959 -10.332 506 H LYS 62 H LYS 62 2.455 -7.268 -7.655 507 HA LYS 62 HA LYS 62 3.603 -6.564 -5.152 508 HB2 LYS 62 HB2 LYS 62 5.067 -8.533 -5.716 509 HB3 LYS 62 HB3 LYS 62 3.335 -8.863 -5.792 510 HG2 LYS 62 HG2 LYS 62 3.377 -8.586 -8.233 511 HG3 LYS 62 HG3 LYS 62 5.090 -8.209 -8.214 512 HD2 LYS 62 HD2 LYS 62 5.764 -10.358 -7.779 513 HD3 LYS 62 HD3 LYS 62 4.245 -10.848 -6.978 514 HE2 LYS 62 HE2 LYS 62 3.095 -11.026 -9.055 515 HE3 LYS 62 HE3 LYS 62 4.212 -9.931 -9.858 516 HZ1 LYS 62 HZ1 LYS 62 4.626 -11.991 -10.694 517 HZ2 LYS 62 HZ2 LYS 62 4.658 -12.736 -9.227 518 HZ3 LYS 62 HZ3 LYS 62 5.905 -11.743 -9.662 519 H GLY 63 H GLY 63 3.973 -4.379 -6.543 520 HA2 GLY 63 HA2 GLY 63 6.768 -3.834 -6.234 521 HA3 GLY 63 HA3 GLY 63 6.434 -3.988 -7.963 522 H ASP 64 H ASP 64 3.577 -2.807 -6.853 523 HA ASP 64 HA ASP 64 4.076 -0.194 -7.939 524 HB2 ASP 64 HB2 ASP 64 1.676 -1.581 -6.665 525 HB3 ASP 64 HB3 ASP 64 1.642 0.052 -7.351 526 H LEU 65 H LEU 65 5.121 1.380 -6.604 527 HA LEU 65 HA LEU 65 4.910 1.259 -3.692 528 HB2 LEU 65 HB2 LEU 65 6.951 2.167 -4.687 529 HB3 LEU 65 HB3 LEU 65 6.019 3.293 -5.627 530 HG LEU 65 HG LEU 65 5.196 4.264 -3.300 531 HD11 LEU 65 HD11 LEU 65 6.176 2.401 -1.946 532 HD12 LEU 65 HD12 LEU 65 6.765 3.988 -1.468 533 HD13 LEU 65 HD13 LEU 65 7.794 2.905 -2.448 534 HD21 LEU 65 HD21 LEU 65 6.934 5.838 -3.269 535 HD22 LEU 65 HD22 LEU 65 6.653 5.380 -4.952 536 HD23 LEU 65 HD23 LEU 65 8.068 4.728 -4.100 537 H VAL 66 H VAL 66 3.421 2.419 -2.461 538 HA VAL 66 HA VAL 66 1.511 4.188 -3.907 539 HB VAL 66 HB VAL 66 0.848 2.469 -1.497 540 HG11 VAL 66 HG11 VAL 66 -1.476 2.753 -2.200 541 HG12 VAL 66 HG12 VAL 66 -0.736 4.315 -1.902 542 HG13 VAL 66 HG13 VAL 66 -0.961 3.753 -3.577 543 HG21 VAL 66 HG21 VAL 66 0.594 1.723 -4.418 544 HG22 VAL 66 HG22 VAL 66 1.377 0.813 -3.111 545 HG23 VAL 66 HG23 VAL 66 -0.381 0.956 -3.141 546 H THR 67 H THR 67 0.696 5.944 -2.704 547 HA THR 67 HA THR 67 1.512 6.254 0.054 548 HB THR 67 HB THR 67 2.068 8.447 -1.984 549 HG1 THR 67 HG1 THR 67 3.537 6.426 -1.137 550 HG21 THR 67 HG21 THR 67 1.309 9.277 0.313 551 HG22 THR 67 HG22 THR 67 2.948 9.775 -0.135 552 HG23 THR 67 HG23 THR 67 2.716 8.440 1.001 553 H PHE 68 H PHE 68 -0.381 6.758 1.037 554 HA PHE 68 HA PHE 68 -2.763 7.709 -0.453 555 HB2 PHE 68 HB2 PHE 68 -2.359 6.452 2.293 556 HB3 PHE 68 HB3 PHE 68 -3.901 7.022 1.709 557 HD1 PHE 68 HD1 PHE 68 -4.797 5.976 -0.553 558 HD2 PHE 68 HD2 PHE 68 -1.673 4.241 1.829 559 HE1 PHE 68 HE1 PHE 68 -5.293 3.746 -1.529 560 HE2 PHE 68 HE2 PHE 68 -2.100 2.033 0.801 561 HZ PHE 68 HZ PHE 68 -3.923 1.773 -0.880 562 HA PRO 69 HA PRO 69 -2.048 11.510 1.903 563 HB2 PRO 69 HB2 PRO 69 -4.455 12.665 2.232 564 HB3 PRO 69 HB3 PRO 69 -3.786 12.418 0.592 565 HG2 PRO 69 HG2 PRO 69 -5.729 10.630 2.120 566 HG3 PRO 69 HG3 PRO 69 -5.899 11.314 0.489 567 HD2 PRO 69 HD2 PRO 69 -4.922 8.769 0.997 568 HD3 PRO 69 HD3 PRO 69 -4.400 9.715 -0.418 569 H LYS 70 H LYS 70 -3.004 12.608 3.795 570 HA LYS 70 HA LYS 70 -3.086 10.753 6.133 571 HB2 LYS 70 HB2 LYS 70 -1.459 12.522 6.265 572 HB3 LYS 70 HB3 LYS 70 -2.645 13.766 5.863 573 HG2 LYS 70 HG2 LYS 70 -3.730 13.606 7.996 574 HG3 LYS 70 HG3 LYS 70 -2.898 12.115 8.411 575 HD2 LYS 70 HD2 LYS 70 -0.710 13.167 8.369 576 HD3 LYS 70 HD3 LYS 70 -1.437 14.735 8.029 577 HE2 LYS 70 HE2 LYS 70 -2.358 13.078 10.411 578 HE3 LYS 70 HE3 LYS 70 -0.824 13.967 10.500 579 HZ1 LYS 70 HZ1 LYS 70 -2.669 15.249 11.363 580 HZ2 LYS 70 HZ2 LYS 70 -3.435 15.255 9.932 581 HZ3 LYS 70 HZ3 LYS 70 -1.978 16.001 10.090 582 H GLY 71 H GLY 71 -5.177 9.910 5.754 583 HA2 GLY 71 HA2 GLY 71 -7.377 10.282 6.831 584 HA3 GLY 71 HA3 GLY 71 -7.450 11.851 6.067 585 H LEU 72 H LEU 72 -7.509 8.365 5.439 586 HA LEU 72 HA LEU 72 -9.374 8.821 3.281 587 HB2 LEU 72 HB2 LEU 72 -7.238 8.704 2.009 588 HB3 LEU 72 HB3 LEU 72 -6.831 7.190 2.815 589 HG LEU 72 HG LEU 72 -8.836 6.108 1.744 590 HD11 LEU 72 HD11 LEU 72 -9.867 7.339 -0.215 591 HD12 LEU 72 HD12 LEU 72 -9.075 8.814 0.366 592 HD13 LEU 72 HD13 LEU 72 -10.299 8.010 1.361 593 HD21 LEU 72 HD21 LEU 72 -6.650 5.894 0.750 594 HD22 LEU 72 HD22 LEU 72 -6.869 7.420 -0.163 595 HD23 LEU 72 HD23 LEU 72 -7.883 6.001 -0.515 596 H ARG 73 H ARG 73 -10.901 7.129 3.285 597 HA ARG 73 HA ARG 73 -10.426 4.750 5.006 598 HB2 ARG 73 HB2 ARG 73 -12.601 5.087 6.067 599 HB3 ARG 73 HB3 ARG 73 -11.448 6.366 6.405 600 HG2 ARG 73 HG2 ARG 73 -12.671 7.585 4.365 601 HG3 ARG 73 HG3 ARG 73 -13.986 6.473 4.747 602 HD2 ARG 73 HD2 ARG 73 -14.405 7.494 6.813 603 HD3 ARG 73 HD3 ARG 73 -12.727 8.005 6.991 604 HE ARG 73 HE ARG 73 -12.994 9.859 5.736 605 HH11 ARG 73 HH11 ARG 73 -16.058 8.016 5.676 606 HH12 ARG 73 HH12 ARG 73 -16.910 9.276 4.829 607 HH21 ARG 73 HH21 ARG 73 -14.180 11.506 4.803 608 HH22 ARG 73 HH22 ARG 73 -15.923 11.381 4.714 609 H CYS 74 H CYS 74 -10.587 3.101 3.548 610 HA CYS 74 HA CYS 74 -12.866 2.902 1.668 611 HB2 CYS 74 HB2 CYS 74 -9.990 2.809 0.697 612 HB3 CYS 74 HB3 CYS 74 -11.472 2.379 -0.172 613 HG CYS 74 HG CYS 74 -10.457 5.273 1.115 614 H ARG 75 H ARG 75 -12.851 0.772 0.670 615 HA ARG 75 HA ARG 75 -12.203 -1.343 2.455 616 HB2 ARG 75 HB2 ARG 75 -13.773 -0.937 0.121 617 HB3 ARG 75 HB3 ARG 75 -12.761 -2.307 -0.221 618 HG2 ARG 75 HG2 ARG 75 -13.880 -3.666 1.190 619 HG3 ARG 75 HG3 ARG 75 -13.936 -2.495 2.502 620 HD2 ARG 75 HD2 ARG 75 -15.681 -2.494 0.046 621 HD3 ARG 75 HD3 ARG 75 -16.187 -3.057 1.651 622 HE ARG 75 HE ARG 75 -15.200 -0.262 1.396 623 HH11 ARG 75 HH11 ARG 75 -18.056 -2.361 1.830 624 HH12 ARG 75 HH12 ARG 75 -19.054 -1.091 2.455 625 HH21 ARG 75 HH21 ARG 75 -16.557 1.403 1.977 626 HH22 ARG 75 HH22 ARG 75 -18.099 1.132 2.709 627 H TRP 76 H TRP 76 -11.118 -3.283 1.810 628 HA TRP 76 HA TRP 76 -8.586 -2.931 0.348 629 HB2 TRP 76 HB2 TRP 76 -8.974 -2.838 3.287 630 HB3 TRP 76 HB3 TRP 76 -7.844 -4.071 2.749 631 HD1 TRP 76 HD1 TRP 76 -8.334 -0.264 2.233 632 HE1 TRP 76 HE1 TRP 76 -6.070 0.774 1.656 633 HE3 TRP 76 HE3 TRP 76 -5.482 -4.499 2.357 634 HZ2 TRP 76 HZ2 TRP 76 -3.465 -0.228 0.792 635 HZ3 TRP 76 HZ3 TRP 76 -3.139 -4.443 1.601 636 HH2 TRP 76 HH2 TRP 76 -2.163 -2.330 0.726 637 H LYS 77 H LYS 77 -8.990 -4.628 -1.084 638 HA LYS 77 HA LYS 77 -9.912 -7.215 0.086 639 HB2 LYS 77 HB2 LYS 77 -11.410 -6.054 -1.546 640 HB3 LYS 77 HB3 LYS 77 -10.113 -6.196 -2.764 641 HG2 LYS 77 HG2 LYS 77 -10.171 -8.676 -2.400 642 HG3 LYS 77 HG3 LYS 77 -11.533 -8.474 -1.323 643 HD2 LYS 77 HD2 LYS 77 -12.915 -7.517 -3.136 644 HD3 LYS 77 HD3 LYS 77 -11.512 -7.525 -4.223 645 HE2 LYS 77 HE2 LYS 77 -12.575 -9.503 -4.830 646 HE3 LYS 77 HE3 LYS 77 -11.352 -10.073 -3.699 647 HZ1 LYS 77 HZ1 LYS 77 -13.311 -11.105 -3.135 648 HZ2 LYS 77 HZ2 LYS 77 -14.224 -9.748 -3.270 649 HZ3 LYS 77 HZ3 LYS 77 -13.223 -9.888 -1.980 650 H VAL 78 H VAL 78 -8.257 -8.687 0.318 651 HA VAL 78 HA VAL 78 -5.733 -8.169 -1.057 652 HB VAL 78 HB VAL 78 -6.335 -10.307 1.018 653 HG11 VAL 78 HG11 VAL 78 -4.222 -10.491 -0.073 654 HG12 VAL 78 HG12 VAL 78 -3.825 -8.779 0.203 655 HG13 VAL 78 HG13 VAL 78 -3.923 -9.929 1.563 656 HG21 VAL 78 HG21 VAL 78 -5.520 -8.631 2.743 657 HG22 VAL 78 HG22 VAL 78 -5.776 -7.347 1.494 658 HG23 VAL 78 HG23 VAL 78 -7.120 -8.288 2.130 659 H LEU 79 H LEU 79 -5.630 -9.153 -3.018 660 HA LEU 79 HA LEU 79 -7.368 -11.543 -3.479 661 HB2 LEU 79 HB2 LEU 79 -5.713 -10.062 -5.514 662 HB3 LEU 79 HB3 LEU 79 -6.952 -11.287 -5.791 663 HG LEU 79 HG LEU 79 -7.376 -8.431 -4.793 664 HD11 LEU 79 HD11 LEU 79 -8.382 -9.953 -7.242 665 HD12 LEU 79 HD12 LEU 79 -7.178 -8.656 -7.236 666 HD13 LEU 79 HD13 LEU 79 -8.840 -8.297 -6.813 667 HD21 LEU 79 HD21 LEU 79 -9.730 -8.850 -4.709 668 HD22 LEU 79 HD22 LEU 79 -8.950 -9.989 -3.601 669 HD23 LEU 79 HD23 LEU 79 -9.517 -10.550 -5.184 670 H GLU 80 H GLU 80 -4.079 -10.619 -2.848 671 HA GLU 80 HA GLU 80 -3.451 -13.408 -2.487 672 HB2 GLU 80 HB2 GLU 80 -1.934 -11.733 -4.556 673 HB3 GLU 80 HB3 GLU 80 -1.134 -13.043 -3.720 674 HG2 GLU 80 HG2 GLU 80 -3.494 -13.280 -5.596 675 HG3 GLU 80 HG3 GLU 80 -1.831 -13.787 -5.844 676 HA PRO 81 HA PRO 81 -2.171 -11.871 0.999 677 HB2 PRO 81 HB2 PRO 81 -0.128 -13.372 2.007 678 HB3 PRO 81 HB3 PRO 81 -1.768 -13.974 1.656 679 HG2 PRO 81 HG2 PRO 81 0.720 -14.219 -0.049 680 HG3 PRO 81 HG3 PRO 81 -0.474 -15.495 0.348 681 HD2 PRO 81 HD2 PRO 81 -0.531 -14.083 -1.984 682 HD3 PRO 81 HD3 PRO 81 -2.027 -14.644 -1.201 683 H VAL 82 H VAL 82 -1.626 -9.813 0.517 684 HA VAL 82 HA VAL 82 0.815 -9.047 -0.533 685 HB VAL 82 HB VAL 82 -1.367 -7.919 -0.778 686 HG11 VAL 82 HG11 VAL 82 -2.187 -6.377 0.818 687 HG12 VAL 82 HG12 VAL 82 -1.809 -7.850 1.734 688 HG13 VAL 82 HG13 VAL 82 -0.709 -6.461 1.777 689 HG21 VAL 82 HG21 VAL 82 -0.369 -5.637 -0.929 690 HG22 VAL 82 HG22 VAL 82 1.051 -6.229 -0.036 691 HG23 VAL 82 HG23 VAL 82 0.631 -6.926 -1.619 692 H ARG 83 H ARG 83 2.653 -9.255 0.303 693 HA ARG 83 HA ARG 83 3.153 -8.497 3.149 694 HB2 ARG 83 HB2 ARG 83 4.182 -10.654 1.767 695 HB3 ARG 83 HB3 ARG 83 5.458 -9.444 1.538 696 HG2 ARG 83 HG2 ARG 83 5.553 -9.086 3.991 697 HG3 ARG 83 HG3 ARG 83 4.240 -10.280 4.196 698 HD2 ARG 83 HD2 ARG 83 5.600 -11.989 3.126 699 HD3 ARG 83 HD3 ARG 83 6.935 -10.851 2.893 700 HE ARG 83 HE ARG 83 6.197 -11.020 5.664 701 HH11 ARG 83 HH11 ARG 83 7.758 -12.921 3.093 702 HH12 ARG 83 HH12 ARG 83 8.451 -14.074 4.160 703 HH21 ARG 83 HH21 ARG 83 7.211 -12.455 7.109 704 HH22 ARG 83 HH22 ARG 83 8.157 -13.780 6.547 705 H LYS 84 H LYS 84 3.659 -6.443 3.412 706 HA LYS 84 HA LYS 84 5.171 -5.070 1.297 707 HB2 LYS 84 HB2 LYS 84 3.865 -3.218 1.063 708 HB3 LYS 84 HB3 LYS 84 2.666 -4.471 1.123 709 HG2 LYS 84 HG2 LYS 84 3.482 -2.642 3.450 710 HG3 LYS 84 HG3 LYS 84 2.114 -2.376 2.384 711 HD2 LYS 84 HD2 LYS 84 2.363 -4.871 4.045 712 HD3 LYS 84 HD3 LYS 84 1.615 -3.386 4.618 713 HE2 LYS 84 HE2 LYS 84 0.771 -4.510 1.924 714 HE3 LYS 84 HE3 LYS 84 0.211 -5.326 3.369 715 HZ1 LYS 84 HZ1 LYS 84 -0.296 -2.506 2.627 716 HZ2 LYS 84 HZ2 LYS 84 -0.705 -3.116 4.095 717 HZ3 LYS 84 HZ3 LYS 84 -1.388 -3.697 2.726 718 H HIS 85 H HIS 85 5.832 -2.931 2.242 719 HA HIS 85 HA HIS 85 6.769 -3.134 5.059 720 HB2 HIS 85 HB2 HIS 85 8.242 -2.391 2.504 721 HB3 HIS 85 HB3 HIS 85 8.621 -1.509 3.967 722 HD1 HIS 85 HD1 HIS 85 9.371 -4.811 2.322 723 HD2 HIS 85 HD2 HIS 85 9.601 -2.950 6.100 724 HE1 HIS 85 HE1 HIS 85 10.971 -6.224 3.780 725 H TYR 86 H TYR 86 5.805 -1.390 6.162 726 HA TYR 86 HA TYR 86 4.659 0.773 4.492 727 HB2 TYR 86 HB2 TYR 86 2.715 0.927 5.767 728 HB3 TYR 86 HB3 TYR 86 2.839 -0.773 5.334 729 HD1 TYR 86 HD1 TYR 86 4.031 -2.306 7.230 730 HD2 TYR 86 HD2 TYR 86 2.216 1.552 7.968 731 HE1 TYR 86 HE1 TYR 86 3.774 -2.876 9.601 732 HE2 TYR 86 HE2 TYR 86 1.948 0.992 10.328 733 HH TYR 86 HH TYR 86 2.316 -0.655 12.028 734 H ASN 87 H ASN 87 4.540 2.883 5.686 735 HA ASN 87 HA ASN 87 5.955 2.951 8.242 736 HB2 ASN 87 HB2 ASN 87 7.777 2.973 6.547 737 HB3 ASN 87 HB3 ASN 87 7.101 4.468 5.856 738 HD21 ASN 87 HD21 ASN 87 9.268 5.434 6.423 739 HD22 ASN 87 HD22 ASN 87 9.541 5.880 8.094 740 H LEU 88 H LEU 88 5.345 4.664 9.424 741 HA LEU 88 HA LEU 88 3.158 6.390 8.412 742 HB2 LEU 88 HB2 LEU 88 4.131 5.647 11.208 743 HB3 LEU 88 HB3 LEU 88 2.782 6.733 10.882 744 HG LEU 88 HG LEU 88 2.820 3.808 9.952 745 HD11 LEU 88 HD11 LEU 88 1.388 3.329 11.877 746 HD12 LEU 88 HD12 LEU 88 1.588 4.985 12.473 747 HD13 LEU 88 HD13 LEU 88 2.977 3.890 12.404 748 HD21 LEU 88 HD21 LEU 88 0.412 4.095 9.722 749 HD22 LEU 88 HD22 LEU 88 1.242 5.324 8.757 750 HD23 LEU 88 HD23 LEU 88 0.515 5.772 10.313 751 H PHE 89 H PHE 89 3.621 8.565 8.111 752 HA PHE 89 HA PHE 89 5.894 9.832 9.400 753 HB2 PHE 89 HB2 PHE 89 7.247 10.162 7.494 754 HB3 PHE 89 HB3 PHE 89 6.909 8.441 7.524 755 HD1 PHE 89 HD1 PHE 89 4.680 7.764 6.083 756 HD2 PHE 89 HD2 PHE 89 7.085 11.281 5.453 757 HE1 PHE 89 HE1 PHE 89 3.664 8.081 3.857 758 HE2 PHE 89 HE2 PHE 89 6.146 11.520 3.174 759 HZ PHE 89 HZ PHE 89 4.414 9.922 2.370 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -6.012 15.850 -6.618 2 HA MET 1 HA MET 1 -5.789 13.454 -6.912 3 HB2 MET 1 HB2 MET 1 -3.443 14.767 -5.489 4 HB3 MET 1 HB3 MET 1 -3.397 13.140 -6.151 5 HG2 MET 1 HG2 MET 1 -3.733 13.919 -8.392 6 HG3 MET 1 HG3 MET 1 -3.978 15.583 -7.829 7 HE1 MET 1 HE1 MET 1 -1.461 12.565 -7.844 8 HE2 MET 1 HE2 MET 1 0.102 13.336 -7.511 9 HE3 MET 1 HE3 MET 1 -1.109 13.200 -6.223 10 H GLU 2 H GLU 2 -7.198 12.140 -5.643 11 HA GLU 2 HA GLU 2 -6.267 11.452 -2.933 12 HB2 GLU 2 HB2 GLU 2 -8.605 10.441 -4.594 13 HB3 GLU 2 HB3 GLU 2 -8.079 9.702 -3.077 14 HG2 GLU 2 HG2 GLU 2 -8.300 12.072 -2.046 15 HG3 GLU 2 HG3 GLU 2 -9.291 12.447 -3.466 16 H VAL 3 H VAL 3 -5.452 9.516 -2.441 17 HA VAL 3 HA VAL 3 -4.058 7.816 -2.430 18 HB VAL 3 HB VAL 3 -6.047 6.953 -4.496 19 HG11 VAL 3 HG11 VAL 3 -4.312 5.064 -2.846 20 HG12 VAL 3 HG12 VAL 3 -5.517 4.667 -4.095 21 HG13 VAL 3 HG13 VAL 3 -4.004 5.431 -4.554 22 HG21 VAL 3 HG21 VAL 3 -5.866 6.422 -1.518 23 HG22 VAL 3 HG22 VAL 3 -7.004 7.535 -2.311 24 HG23 VAL 3 HG23 VAL 3 -7.122 5.802 -2.611 25 H LYS 4 H LYS 4 -1.958 7.947 -2.887 26 HA LYS 4 HA LYS 4 -1.171 8.687 -5.647 27 HB2 LYS 4 HB2 LYS 4 -0.528 9.775 -3.119 28 HB3 LYS 4 HB3 LYS 4 0.863 8.793 -3.496 29 HG2 LYS 4 HG2 LYS 4 0.242 10.218 -5.904 30 HG3 LYS 4 HG3 LYS 4 0.013 11.361 -4.593 31 HD2 LYS 4 HD2 LYS 4 2.345 10.659 -3.745 32 HD3 LYS 4 HD3 LYS 4 2.501 9.722 -5.235 33 HE2 LYS 4 HE2 LYS 4 3.514 11.744 -5.783 34 HE3 LYS 4 HE3 LYS 4 1.918 11.881 -6.503 35 HZ1 LYS 4 HZ1 LYS 4 2.788 13.102 -3.939 36 HZ2 LYS 4 HZ2 LYS 4 1.262 13.201 -4.527 37 HZ3 LYS 4 HZ3 LYS 4 2.511 13.888 -5.352 38 H ILE 5 H ILE 5 -0.319 7.139 -6.876 39 HA ILE 5 HA ILE 5 1.287 4.992 -5.669 40 HB ILE 5 HB ILE 5 -0.964 4.434 -7.649 41 HG12 ILE 5 HG12 ILE 5 -0.821 4.055 -4.647 42 HG13 ILE 5 HG13 ILE 5 -2.012 4.947 -5.598 43 HG21 ILE 5 HG21 ILE 5 0.990 2.935 -7.893 44 HG22 ILE 5 HG22 ILE 5 0.905 2.537 -6.172 45 HG23 ILE 5 HG23 ILE 5 -0.398 2.057 -7.283 46 HD11 ILE 5 HD11 ILE 5 -2.609 2.553 -6.570 47 HD12 ILE 5 HD12 ILE 5 -1.767 2.000 -5.116 48 HD13 ILE 5 HD13 ILE 5 -3.181 3.040 -4.959 49 H GLU 6 H GLU 6 3.093 4.613 -6.918 50 HA GLU 6 HA GLU 6 3.058 5.090 -9.796 51 HB2 GLU 6 HB2 GLU 6 5.349 6.274 -8.158 52 HB3 GLU 6 HB3 GLU 6 5.064 6.378 -9.888 53 HG2 GLU 6 HG2 GLU 6 2.932 7.667 -9.332 54 HG3 GLU 6 HG3 GLU 6 3.532 7.752 -7.671 55 H LYS 7 H LYS 7 5.329 4.387 -10.661 56 HA LYS 7 HA LYS 7 6.247 1.951 -9.182 57 HB2 LYS 7 HB2 LYS 7 6.371 2.486 -12.153 58 HB3 LYS 7 HB3 LYS 7 7.023 1.106 -11.292 59 HG2 LYS 7 HG2 LYS 7 5.024 0.375 -12.256 60 HG3 LYS 7 HG3 LYS 7 4.685 0.525 -10.528 61 HD2 LYS 7 HD2 LYS 7 3.168 2.218 -10.833 62 HD3 LYS 7 HD3 LYS 7 4.015 2.905 -12.216 63 HE2 LYS 7 HE2 LYS 7 2.502 0.284 -12.372 64 HE3 LYS 7 HE3 LYS 7 1.756 1.864 -12.668 65 HZ1 LYS 7 HZ1 LYS 7 2.479 0.984 -14.749 66 HZ2 LYS 7 HZ2 LYS 7 3.989 0.698 -14.216 67 HZ3 LYS 7 HZ3 LYS 7 3.481 2.244 -14.378 68 HA PRO 8 HA PRO 8 9.619 5.101 -9.072 69 HB2 PRO 8 HB2 PRO 8 10.694 4.375 -6.628 70 HB3 PRO 8 HB3 PRO 8 9.294 5.469 -6.835 71 HG2 PRO 8 HG2 PRO 8 9.259 2.501 -6.200 72 HG3 PRO 8 HG3 PRO 8 8.356 3.843 -5.448 73 HD2 PRO 8 HD2 PRO 8 7.261 2.249 -7.355 74 HD3 PRO 8 HD3 PRO 8 6.862 3.992 -7.246 75 H THR 9 H THR 9 11.896 4.899 -9.245 76 HA THR 9 HA THR 9 13.022 2.587 -10.427 77 HB THR 9 HB THR 9 13.838 4.864 -10.776 78 HG1 THR 9 HG1 THR 9 16.111 4.381 -10.309 79 HG21 THR 9 HG21 THR 9 13.543 5.662 -8.402 80 HG22 THR 9 HG22 THR 9 15.135 6.034 -9.081 81 HG23 THR 9 HG23 THR 9 14.956 4.679 -7.966 82 HA PRO 10 HA PRO 10 13.623 0.200 -6.765 83 HB2 PRO 10 HB2 PRO 10 15.679 -1.503 -7.433 84 HB3 PRO 10 HB3 PRO 10 14.019 -1.628 -8.086 85 HG2 PRO 10 HG2 PRO 10 16.402 -0.260 -9.384 86 HG3 PRO 10 HG3 PRO 10 15.279 -1.455 -10.112 87 HD2 PRO 10 HD2 PRO 10 14.955 1.200 -10.487 88 HD3 PRO 10 HD3 PRO 10 13.535 0.150 -10.215 89 H GLU 11 H GLU 11 16.537 1.857 -8.072 90 HA GLU 11 HA GLU 11 18.202 1.460 -5.836 91 HB2 GLU 11 HB2 GLU 11 18.031 3.861 -7.719 92 HB3 GLU 11 HB3 GLU 11 19.295 3.602 -6.505 93 HG2 GLU 11 HG2 GLU 11 19.598 1.277 -7.704 94 HG3 GLU 11 HG3 GLU 11 18.811 2.084 -9.066 95 H LYS 12 H LYS 12 15.763 4.019 -6.392 96 HA LYS 12 HA LYS 12 16.298 5.534 -4.090 97 HB2 LYS 12 HB2 LYS 12 14.668 5.972 -6.092 98 HB3 LYS 12 HB3 LYS 12 13.484 5.085 -5.139 99 HG2 LYS 12 HG2 LYS 12 12.989 7.149 -4.341 100 HG3 LYS 12 HG3 LYS 12 14.341 6.880 -3.256 101 HD2 LYS 12 HD2 LYS 12 15.830 8.123 -4.850 102 HD3 LYS 12 HD3 LYS 12 14.449 8.318 -5.960 103 HE2 LYS 12 HE2 LYS 12 13.188 9.465 -4.145 104 HE3 LYS 12 HE3 LYS 12 14.621 9.385 -3.111 105 HZ1 LYS 12 HZ1 LYS 12 15.747 10.825 -4.635 106 HZ2 LYS 12 HZ2 LYS 12 14.325 11.518 -4.194 107 HZ3 LYS 12 HZ3 LYS 12 14.486 10.865 -5.683 108 H LEU 13 H LEU 13 14.343 2.607 -4.500 109 HA LEU 13 HA LEU 13 13.259 2.527 -1.825 110 HB2 LEU 13 HB2 LEU 13 13.442 0.589 -4.139 111 HB3 LEU 13 HB3 LEU 13 12.961 0.035 -2.567 112 HG LEU 13 HG LEU 13 11.115 0.553 -4.161 113 HD11 LEU 13 HD11 LEU 13 10.973 2.211 -1.626 114 HD12 LEU 13 HD12 LEU 13 10.649 0.456 -1.763 115 HD13 LEU 13 HD13 LEU 13 9.640 1.619 -2.633 116 HD21 LEU 13 HD21 LEU 13 11.899 3.459 -3.703 117 HD22 LEU 13 HD22 LEU 13 10.386 2.911 -4.392 118 HD23 LEU 13 HD23 LEU 13 11.900 2.555 -5.238 119 H LYS 14 H LYS 14 16.286 1.215 -3.328 120 HA LYS 14 HA LYS 14 17.117 -0.319 -1.061 121 HB2 LYS 14 HB2 LYS 14 18.798 1.049 -3.161 122 HB3 LYS 14 HB3 LYS 14 19.291 -0.189 -1.996 123 HG2 LYS 14 HG2 LYS 14 17.314 -1.593 -2.970 124 HG3 LYS 14 HG3 LYS 14 17.367 -0.442 -4.322 125 HD2 LYS 14 HD2 LYS 14 19.713 -1.067 -4.756 126 HD3 LYS 14 HD3 LYS 14 19.573 -2.173 -3.347 127 HE2 LYS 14 HE2 LYS 14 17.788 -3.424 -4.452 128 HE3 LYS 14 HE3 LYS 14 17.707 -2.263 -5.771 129 HZ1 LYS 14 HZ1 LYS 14 19.960 -4.119 -5.278 130 HZ2 LYS 14 HZ2 LYS 14 19.840 -3.051 -6.560 131 HZ3 LYS 14 HZ3 LYS 14 18.803 -4.317 -6.370 132 H GLU 15 H GLU 15 17.587 3.110 -2.065 133 HA GLU 15 HA GLU 15 19.245 3.830 0.144 134 HB2 GLU 15 HB2 GLU 15 17.365 5.756 -1.256 135 HB3 GLU 15 HB3 GLU 15 18.792 6.138 -0.307 136 HG2 GLU 15 HG2 GLU 15 19.892 4.548 -2.237 137 HG3 GLU 15 HG3 GLU 15 18.516 5.264 -3.112 138 H LEU 16 H LEU 16 15.778 4.265 -0.352 139 HA LEU 16 HA LEU 16 15.096 5.598 2.007 140 HB2 LEU 16 HB2 LEU 16 13.544 3.734 0.195 141 HB3 LEU 16 HB3 LEU 16 12.789 4.483 1.575 142 HG LEU 16 HG LEU 16 13.914 5.942 -0.841 143 HD11 LEU 16 HD11 LEU 16 11.111 5.683 0.278 144 HD12 LEU 16 HD12 LEU 16 11.749 4.798 -1.129 145 HD13 LEU 16 HD13 LEU 16 11.575 6.560 -1.184 146 HD21 LEU 16 HD21 LEU 16 12.910 7.983 0.314 147 HD22 LEU 16 HD22 LEU 16 14.465 7.396 0.903 148 HD23 LEU 16 HD23 LEU 16 12.972 7.038 1.800 149 H SER 17 H SER 17 16.293 2.513 1.873 150 HA SER 17 HA SER 17 16.893 1.088 3.492 151 HB2 SER 17 HB2 SER 17 15.683 2.937 5.522 152 HB3 SER 17 HB3 SER 17 17.049 1.874 5.726 153 HG SER 17 HG SER 17 17.406 3.755 3.700 154 H VAL 18 H VAL 18 14.293 0.832 2.240 155 HA VAL 18 HA VAL 18 12.164 0.286 3.897 156 HB VAL 18 HB VAL 18 12.843 -0.909 1.187 157 HG11 VAL 18 HG11 VAL 18 10.396 -1.092 0.875 158 HG12 VAL 18 HG12 VAL 18 10.995 -2.146 2.170 159 HG13 VAL 18 HG13 VAL 18 10.195 -0.613 2.573 160 HG21 VAL 18 HG21 VAL 18 12.870 1.575 1.135 161 HG22 VAL 18 HG22 VAL 18 11.413 0.975 0.351 162 HG23 VAL 18 HG23 VAL 18 11.315 1.620 1.990 163 H GLU 19 H GLU 19 14.935 -1.855 3.308 164 HA GLU 19 HA GLU 19 13.722 -4.254 4.314 165 HB2 GLU 19 HB2 GLU 19 16.056 -4.915 4.901 166 HB3 GLU 19 HB3 GLU 19 15.884 -4.403 3.216 167 HG2 GLU 19 HG2 GLU 19 16.946 -2.353 3.557 168 HG3 GLU 19 HG3 GLU 19 16.725 -2.364 5.292 169 H LYS 20 H LYS 20 14.764 -1.350 5.947 170 HA LYS 20 HA LYS 20 14.865 -2.601 8.602 171 HB2 LYS 20 HB2 LYS 20 14.941 0.374 7.868 172 HB3 LYS 20 HB3 LYS 20 15.460 -0.372 9.360 173 HG2 LYS 20 HG2 LYS 20 17.270 -1.572 8.009 174 HG3 LYS 20 HG3 LYS 20 16.852 -0.488 6.680 175 HD2 LYS 20 HD2 LYS 20 18.068 1.159 7.563 176 HD3 LYS 20 HD3 LYS 20 17.107 1.169 9.030 177 HE2 LYS 20 HE2 LYS 20 19.513 -0.592 8.457 178 HE3 LYS 20 HE3 LYS 20 19.504 0.868 9.472 179 HZ1 LYS 20 HZ1 LYS 20 19.410 -1.128 10.767 180 HZ2 LYS 20 HZ2 LYS 20 18.065 -1.642 10.025 181 HZ3 LYS 20 HZ3 LYS 20 17.996 -0.293 10.996 182 H TRP 21 H TRP 21 12.395 -1.481 6.507 183 HA TRP 21 HA TRP 21 10.879 0.039 8.490 184 HB2 TRP 21 HB2 TRP 21 10.215 -0.976 5.702 185 HB3 TRP 21 HB3 TRP 21 9.146 -0.030 6.679 186 HD1 TRP 21 HD1 TRP 21 12.662 1.285 6.963 187 HE1 TRP 21 HE1 TRP 21 12.954 3.362 5.605 188 HE3 TRP 21 HE3 TRP 21 8.233 1.160 4.430 189 HZ2 TRP 21 HZ2 TRP 21 11.496 4.814 3.528 190 HZ3 TRP 21 HZ3 TRP 21 7.630 2.998 2.857 191 HH2 TRP 21 HH2 TRP 21 9.275 4.817 2.384 192 HA PRO 22 HA PRO 22 8.757 -3.522 10.060 193 HB2 PRO 22 HB2 PRO 22 6.199 -2.669 10.473 194 HB3 PRO 22 HB3 PRO 22 7.587 -2.152 11.467 195 HG2 PRO 22 HG2 PRO 22 6.396 -0.660 9.119 196 HG3 PRO 22 HG3 PRO 22 6.751 -0.030 10.764 197 HD2 PRO 22 HD2 PRO 22 8.500 0.327 8.752 198 HD3 PRO 22 HD3 PRO 22 9.097 -0.130 10.370 199 H ILE 23 H ILE 23 7.866 -5.287 9.245 200 HA ILE 23 HA ILE 23 6.677 -5.406 6.577 201 HB ILE 23 HB ILE 23 7.520 -7.365 8.727 202 HG12 ILE 23 HG12 ILE 23 8.187 -7.069 5.778 203 HG13 ILE 23 HG13 ILE 23 9.193 -6.462 7.074 204 HG21 ILE 23 HG21 ILE 23 5.341 -8.271 7.913 205 HG22 ILE 23 HG22 ILE 23 6.034 -8.351 6.280 206 HG23 ILE 23 HG23 ILE 23 6.716 -9.301 7.597 207 HD11 ILE 23 HD11 ILE 23 10.152 -8.454 6.222 208 HD12 ILE 23 HD12 ILE 23 9.536 -8.793 7.852 209 HD13 ILE 23 HD13 ILE 23 8.654 -9.370 6.404 210 H TRP 24 H TRP 24 4.568 -5.996 6.137 211 HA TRP 24 HA TRP 24 2.805 -6.661 8.337 212 HB2 TRP 24 HB2 TRP 24 2.395 -4.274 8.129 213 HB3 TRP 24 HB3 TRP 24 2.080 -4.458 6.406 214 HD1 TRP 24 HD1 TRP 24 0.524 -4.985 9.823 215 HE1 TRP 24 HE1 TRP 24 -2.013 -5.202 9.544 216 HE3 TRP 24 HE3 TRP 24 0.345 -5.668 4.796 217 HZ2 TRP 24 HZ2 TRP 24 -3.910 -5.453 7.364 218 HZ3 TRP 24 HZ3 TRP 24 -1.818 -5.749 3.609 219 HH2 TRP 24 HH2 TRP 24 -3.937 -5.567 4.831 220 H GLU 25 H GLU 25 2.328 -8.661 7.703 221 HA GLU 25 HA GLU 25 1.655 -9.290 4.895 222 HB2 GLU 25 HB2 GLU 25 1.203 -11.620 6.061 223 HB3 GLU 25 HB3 GLU 25 2.824 -11.128 5.609 224 HG2 GLU 25 HG2 GLU 25 3.521 -10.765 7.771 225 HG3 GLU 25 HG3 GLU 25 1.859 -10.477 8.375 226 H LYS 26 H LYS 26 -0.536 -10.617 4.621 227 HA LYS 26 HA LYS 26 -2.363 -10.446 6.803 228 HB2 LYS 26 HB2 LYS 26 -2.547 -8.168 5.589 229 HB3 LYS 26 HB3 LYS 26 -3.234 -9.056 4.237 230 HG2 LYS 26 HG2 LYS 26 -4.881 -7.895 5.629 231 HG3 LYS 26 HG3 LYS 26 -5.211 -9.632 5.548 232 HD2 LYS 26 HD2 LYS 26 -4.283 -9.952 7.745 233 HD3 LYS 26 HD3 LYS 26 -3.738 -8.254 7.809 234 HE2 LYS 26 HE2 LYS 26 -5.976 -7.489 8.119 235 HE3 LYS 26 HE3 LYS 26 -6.640 -9.097 7.764 236 HZ1 LYS 26 HZ1 LYS 26 -4.898 -8.540 10.087 237 HZ2 LYS 26 HZ2 LYS 26 -5.720 -9.929 9.760 238 HZ3 LYS 26 HZ3 LYS 26 -6.550 -8.596 10.152 239 H GLU 27 H GLU 27 -4.447 -11.635 6.214 240 HA GLU 27 HA GLU 27 -3.955 -13.936 4.533 241 HB2 GLU 27 HB2 GLU 27 -5.771 -13.116 6.533 242 HB3 GLU 27 HB3 GLU 27 -6.688 -13.858 5.269 243 HG2 GLU 27 HG2 GLU 27 -4.293 -15.172 6.601 244 HG3 GLU 27 HG3 GLU 27 -5.962 -15.342 7.168 245 H VAL 28 H VAL 28 -5.763 -14.563 3.202 246 HA VAL 28 HA VAL 28 -6.370 -12.603 1.070 247 HB VAL 28 HB VAL 28 -5.401 -14.701 0.456 248 HG11 VAL 28 HG11 VAL 28 -6.454 -16.162 2.304 249 HG12 VAL 28 HG12 VAL 28 -7.884 -16.254 1.274 250 HG13 VAL 28 HG13 VAL 28 -6.342 -16.867 0.688 251 HG21 VAL 28 HG21 VAL 28 -8.245 -14.703 -0.554 252 HG22 VAL 28 HG22 VAL 28 -6.985 -13.566 -1.078 253 HG23 VAL 28 HG23 VAL 28 -6.787 -15.302 -1.370 254 H SER 29 H SER 29 -7.726 -11.368 2.644 255 HA SER 29 HA SER 29 -10.533 -12.367 2.621 256 HB2 SER 29 HB2 SER 29 -8.918 -12.355 4.900 257 HB3 SER 29 HB3 SER 29 -9.819 -10.840 5.044 258 HG SER 29 HG SER 29 -10.587 -13.324 5.525 259 H GLU 30 H GLU 30 -11.784 -10.101 3.770 260 HA GLU 30 HA GLU 30 -10.673 -7.804 2.350 261 HB2 GLU 30 HB2 GLU 30 -12.582 -7.141 1.245 262 HB3 GLU 30 HB3 GLU 30 -12.512 -8.868 0.902 263 HG2 GLU 30 HG2 GLU 30 -14.201 -9.246 2.737 264 HG3 GLU 30 HG3 GLU 30 -14.313 -7.494 2.956 265 H PHE 31 H PHE 31 -11.330 -5.807 3.264 266 HA PHE 31 HA PHE 31 -13.087 -5.689 5.488 267 HB2 PHE 31 HB2 PHE 31 -11.367 -4.887 7.157 268 HB3 PHE 31 HB3 PHE 31 -11.390 -6.592 6.837 269 HD1 PHE 31 HD1 PHE 31 -9.491 -3.474 5.948 270 HD2 PHE 31 HD2 PHE 31 -9.438 -7.767 6.339 271 HE1 PHE 31 HE1 PHE 31 -7.032 -3.449 5.739 272 HE2 PHE 31 HE2 PHE 31 -6.947 -7.745 6.146 273 HZ PHE 31 HZ PHE 31 -5.767 -5.582 5.869 274 H ASP 32 H ASP 32 -12.199 -3.235 6.558 275 HA ASP 32 HA ASP 32 -11.758 -1.453 4.255 276 HB2 ASP 32 HB2 ASP 32 -13.077 0.290 5.433 277 HB3 ASP 32 HB3 ASP 32 -14.038 -1.046 4.833 278 H TRP 33 H TRP 33 -10.427 0.355 4.763 279 HA TRP 33 HA TRP 33 -9.147 0.248 7.450 280 HB2 TRP 33 HB2 TRP 33 -7.888 -1.040 5.608 281 HB3 TRP 33 HB3 TRP 33 -7.546 0.532 4.892 282 HD1 TRP 33 HD1 TRP 33 -5.787 2.062 6.197 283 HE1 TRP 33 HE1 TRP 33 -4.251 1.729 8.182 284 HE3 TRP 33 HE3 TRP 33 -7.842 -2.250 8.007 285 HZ2 TRP 33 HZ2 TRP 33 -3.925 -0.240 10.325 286 HZ3 TRP 33 HZ3 TRP 33 -6.992 -3.252 10.109 287 HH2 TRP 33 HH2 TRP 33 -5.021 -2.244 11.262 288 H TYR 34 H TYR 34 -8.177 2.196 8.154 289 HA TYR 34 HA TYR 34 -9.133 4.654 6.774 290 HB2 TYR 34 HB2 TYR 34 -10.301 3.699 8.939 291 HB3 TYR 34 HB3 TYR 34 -8.894 4.346 9.774 292 HD1 TYR 34 HD1 TYR 34 -8.384 6.989 8.781 293 HD2 TYR 34 HD2 TYR 34 -12.181 4.964 8.991 294 HE1 TYR 34 HE1 TYR 34 -9.510 9.163 8.867 295 HE2 TYR 34 HE2 TYR 34 -13.341 7.144 9.138 296 HH TYR 34 HH TYR 34 -11.672 10.215 9.494 297 H TYR 35 H TYR 35 -7.503 6.161 6.487 298 HA TYR 35 HA TYR 35 -4.889 5.701 7.830 299 HB2 TYR 35 HB2 TYR 35 -5.395 6.866 5.077 300 HB3 TYR 35 HB3 TYR 35 -3.846 6.810 5.930 301 HD1 TYR 35 HD1 TYR 35 -2.817 4.605 6.568 302 HD2 TYR 35 HD2 TYR 35 -6.065 4.956 3.770 303 HE1 TYR 35 HE1 TYR 35 -2.363 2.307 5.803 304 HE2 TYR 35 HE2 TYR 35 -5.572 2.645 2.932 305 HH TYR 35 HH TYR 35 -3.570 0.419 4.655 306 H ASP 36 H ASP 36 -4.656 7.175 9.401 307 HA ASP 36 HA ASP 36 -6.051 9.781 9.133 308 HB2 ASP 36 HB2 ASP 36 -6.630 9.859 11.269 309 HB3 ASP 36 HB3 ASP 36 -6.937 8.175 10.890 310 H THR 37 H THR 37 -3.124 8.474 8.852 311 HA THR 37 HA THR 37 -1.780 11.054 8.856 312 HB THR 37 HB THR 37 0.286 9.967 9.869 313 HG1 THR 37 HG1 THR 37 -0.157 8.320 11.387 314 HG21 THR 37 HG21 THR 37 -0.349 10.709 12.088 315 HG22 THR 37 HG22 THR 37 -2.049 10.397 11.765 316 HG23 THR 37 HG23 THR 37 -1.235 11.727 10.921 317 H ASN 38 H ASN 38 0.440 10.609 7.726 318 HA ASN 38 HA ASN 38 -0.192 9.435 5.111 319 HB2 ASN 38 HB2 ASN 38 2.529 10.101 6.213 320 HB3 ASN 38 HB3 ASN 38 2.045 9.933 4.531 321 HD21 ASN 38 HD21 ASN 38 2.910 12.169 6.802 322 HD22 ASN 38 HD22 ASN 38 2.214 13.587 6.043 323 H GLU 39 H GLU 39 0.631 7.490 4.304 324 HA GLU 39 HA GLU 39 2.515 5.945 5.941 325 HB2 GLU 39 HB2 GLU 39 0.309 5.040 6.657 326 HB3 GLU 39 HB3 GLU 39 -0.115 4.702 4.968 327 HG2 GLU 39 HG2 GLU 39 1.950 3.245 4.831 328 HG3 GLU 39 HG3 GLU 39 2.242 3.546 6.544 329 H THR 40 H THR 40 4.127 5.655 4.491 330 HA THR 40 HA THR 40 3.489 5.277 1.617 331 HB THR 40 HB THR 40 6.084 5.805 3.114 332 HG1 THR 40 HG1 THR 40 5.949 7.682 1.787 333 HG21 THR 40 HG21 THR 40 7.172 5.912 0.886 334 HG22 THR 40 HG22 THR 40 5.683 5.325 0.119 335 HG23 THR 40 HG23 THR 40 6.597 4.278 1.228 336 H CYS 41 H CYS 41 3.833 3.234 0.650 337 HA CYS 41 HA CYS 41 5.065 1.148 2.291 338 HB2 CYS 41 HB2 CYS 41 2.378 1.412 2.500 339 HB3 CYS 41 HB3 CYS 41 2.469 0.398 1.038 340 HG CYS 41 HG CYS 41 4.320 -0.419 3.527 341 H TYR 42 H TYR 42 5.678 -0.567 1.128 342 HA TYR 42 HA TYR 42 5.666 -0.351 -1.863 343 HB2 TYR 42 HB2 TYR 42 7.823 0.376 -0.861 344 HB3 TYR 42 HB3 TYR 42 8.007 -1.221 -0.132 345 HD1 TYR 42 HD1 TYR 42 7.388 0.458 -3.417 346 HD2 TYR 42 HD2 TYR 42 9.159 -2.844 -1.353 347 HE1 TYR 42 HE1 TYR 42 8.320 -0.329 -5.571 348 HE2 TYR 42 HE2 TYR 42 9.995 -3.758 -3.543 349 HH TYR 42 HH TYR 42 9.315 -2.069 -6.645 350 H ILE 43 H ILE 43 4.718 -2.026 -2.708 351 HA ILE 43 HA ILE 43 3.960 -4.503 -1.356 352 HB ILE 43 HB ILE 43 3.608 -3.742 -4.275 353 HG12 ILE 43 HG12 ILE 43 2.633 -1.840 -3.289 354 HG13 ILE 43 HG13 ILE 43 1.352 -2.897 -3.833 355 HG21 ILE 43 HG21 ILE 43 3.136 -6.105 -3.478 356 HG22 ILE 43 HG22 ILE 43 1.848 -5.446 -2.471 357 HG23 ILE 43 HG23 ILE 43 1.783 -5.276 -4.246 358 HD11 ILE 43 HD11 ILE 43 0.729 -1.883 -1.736 359 HD12 ILE 43 HD12 ILE 43 0.996 -3.614 -1.426 360 HD13 ILE 43 HD13 ILE 43 2.221 -2.394 -0.967 361 H LEU 44 H LEU 44 5.380 -6.199 -1.332 362 HA LEU 44 HA LEU 44 7.422 -6.254 -3.525 363 HB2 LEU 44 HB2 LEU 44 7.551 -7.592 -0.791 364 HB3 LEU 44 HB3 LEU 44 8.801 -7.597 -2.037 365 HG LEU 44 HG LEU 44 8.193 -4.845 -1.617 366 HD11 LEU 44 HD11 LEU 44 8.501 -4.502 0.754 367 HD12 LEU 44 HD12 LEU 44 8.654 -6.275 1.008 368 HD13 LEU 44 HD13 LEU 44 7.094 -5.558 0.510 369 HD21 LEU 44 HD21 LEU 44 10.516 -6.433 -0.505 370 HD22 LEU 44 HD22 LEU 44 10.479 -4.681 -0.801 371 HD23 LEU 44 HD23 LEU 44 10.404 -5.824 -2.164 372 H GLU 45 H GLU 45 4.777 -8.022 -2.029 373 HA GLU 45 HA GLU 45 4.680 -9.844 -4.216 374 HB2 GLU 45 HB2 GLU 45 4.845 -11.899 -2.848 375 HB3 GLU 45 HB3 GLU 45 6.361 -11.008 -2.858 376 HG2 GLU 45 HG2 GLU 45 5.674 -10.007 -0.597 377 HG3 GLU 45 HG3 GLU 45 4.359 -11.186 -0.588 378 H GLY 46 H GLY 46 2.583 -10.997 -4.137 379 HA2 GLY 46 HA2 GLY 46 0.445 -11.414 -3.539 380 HA3 GLY 46 HA3 GLY 46 0.589 -10.438 -2.104 381 H LYS 47 H LYS 47 -1.724 -9.948 -3.121 382 HA LYS 47 HA LYS 47 -1.548 -7.667 -5.018 383 HB2 LYS 47 HB2 LYS 47 -2.204 -10.279 -5.840 384 HB3 LYS 47 HB3 LYS 47 -3.765 -9.496 -5.630 385 HG2 LYS 47 HG2 LYS 47 -1.419 -8.419 -7.258 386 HG3 LYS 47 HG3 LYS 47 -2.790 -9.294 -7.900 387 HD2 LYS 47 HD2 LYS 47 -3.003 -6.579 -6.579 388 HD3 LYS 47 HD3 LYS 47 -2.892 -6.859 -8.301 389 HE2 LYS 47 HE2 LYS 47 -5.153 -7.729 -6.481 390 HE3 LYS 47 HE3 LYS 47 -5.175 -6.412 -7.655 391 HZ1 LYS 47 HZ1 LYS 47 -6.145 -8.160 -8.798 392 HZ2 LYS 47 HZ2 LYS 47 -5.163 -9.329 -8.185 393 HZ3 LYS 47 HZ3 LYS 47 -4.615 -8.283 -9.330 394 H VAL 48 H VAL 48 -3.223 -6.229 -4.756 395 HA VAL 48 HA VAL 48 -5.375 -6.814 -2.815 396 HB VAL 48 HB VAL 48 -3.447 -4.446 -2.701 397 HG11 VAL 48 HG11 VAL 48 -4.617 -3.692 -0.674 398 HG12 VAL 48 HG12 VAL 48 -5.679 -3.630 -2.063 399 HG13 VAL 48 HG13 VAL 48 -5.844 -4.952 -0.881 400 HG21 VAL 48 HG21 VAL 48 -2.896 -5.268 -0.428 401 HG22 VAL 48 HG22 VAL 48 -3.929 -6.694 -0.696 402 HG23 VAL 48 HG23 VAL 48 -2.465 -6.437 -1.669 403 H GLU 49 H GLU 49 -7.211 -5.411 -3.091 404 HA GLU 49 HA GLU 49 -7.121 -3.473 -5.299 405 HB2 GLU 49 HB2 GLU 49 -9.203 -5.605 -4.810 406 HB3 GLU 49 HB3 GLU 49 -9.732 -3.985 -5.275 407 HG2 GLU 49 HG2 GLU 49 -8.153 -4.047 -7.209 408 HG3 GLU 49 HG3 GLU 49 -7.767 -5.737 -6.798 409 H VAL 50 H VAL 50 -7.250 -1.538 -4.315 410 HA VAL 50 HA VAL 50 -8.769 -1.297 -1.749 411 HB VAL 50 HB VAL 50 -7.018 0.758 -3.130 412 HG11 VAL 50 HG11 VAL 50 -7.125 2.004 -1.056 413 HG12 VAL 50 HG12 VAL 50 -8.773 1.683 -1.595 414 HG13 VAL 50 HG13 VAL 50 -8.060 0.733 -0.268 415 HG21 VAL 50 HG21 VAL 50 -6.381 -1.171 -0.849 416 HG22 VAL 50 HG22 VAL 50 -5.557 -1.052 -2.426 417 HG23 VAL 50 HG23 VAL 50 -5.387 0.247 -1.254 418 H THR 51 H THR 51 -10.861 -1.162 -2.190 419 HA THR 51 HA THR 51 -11.821 0.259 -4.598 420 HB THR 51 HB THR 51 -13.341 -1.357 -2.543 421 HG1 THR 51 HG1 THR 51 -13.052 -3.041 -3.696 422 HG21 THR 51 HG21 THR 51 -14.773 0.169 -3.873 423 HG22 THR 51 HG22 THR 51 -15.039 -1.510 -4.378 424 HG23 THR 51 HG23 THR 51 -14.027 -0.424 -5.362 425 H THR 52 H THR 52 -11.879 2.462 -4.274 426 HA THR 52 HA THR 52 -12.114 3.530 -1.627 427 HB THR 52 HB THR 52 -11.906 5.675 -2.596 428 HG1 THR 52 HG1 THR 52 -12.221 6.142 -4.681 429 HG21 THR 52 HG21 THR 52 -9.856 4.221 -2.671 430 HG22 THR 52 HG22 THR 52 -9.876 5.485 -3.908 431 HG23 THR 52 HG23 THR 52 -10.243 3.813 -4.351 432 H GLU 53 H GLU 53 -13.788 5.241 -1.045 433 HA GLU 53 HA GLU 53 -16.447 4.198 -1.330 434 HB2 GLU 53 HB2 GLU 53 -17.154 6.365 -0.464 435 HB3 GLU 53 HB3 GLU 53 -15.996 5.526 0.562 436 HG2 GLU 53 HG2 GLU 53 -14.321 7.102 0.170 437 HG3 GLU 53 HG3 GLU 53 -14.993 7.606 -1.384 438 H ASP 54 H ASP 54 -14.706 6.612 -3.336 439 HA ASP 54 HA ASP 54 -17.002 7.320 -4.960 440 HB2 ASP 54 HB2 ASP 54 -14.709 8.523 -4.669 441 HB3 ASP 54 HB3 ASP 54 -14.121 7.370 -5.866 442 H GLY 55 H GLY 55 -15.351 4.426 -4.522 443 HA2 GLY 55 HA2 GLY 55 -16.045 2.412 -5.345 444 HA3 GLY 55 HA3 GLY 55 -16.747 3.202 -6.766 445 H LYS 56 H LYS 56 -13.421 4.418 -6.549 446 HA LYS 56 HA LYS 56 -12.865 2.983 -8.864 447 HB2 LYS 56 HB2 LYS 56 -12.233 5.203 -8.723 448 HB3 LYS 56 HB3 LYS 56 -11.609 5.104 -7.053 449 HG2 LYS 56 HG2 LYS 56 -9.810 3.880 -7.760 450 HG3 LYS 56 HG3 LYS 56 -10.521 3.568 -9.364 451 HD2 LYS 56 HD2 LYS 56 -10.378 6.031 -9.882 452 HD3 LYS 56 HD3 LYS 56 -9.500 6.270 -8.371 453 HE2 LYS 56 HE2 LYS 56 -7.956 6.136 -10.262 454 HE3 LYS 56 HE3 LYS 56 -7.688 4.762 -9.179 455 HZ1 LYS 56 HZ1 LYS 56 -7.789 4.231 -11.612 456 HZ2 LYS 56 HZ2 LYS 56 -9.351 4.648 -11.630 457 HZ3 LYS 56 HZ3 LYS 56 -8.843 3.361 -10.741 458 H LYS 57 H LYS 57 -11.532 1.364 -9.020 459 HA LYS 57 HA LYS 57 -10.563 -0.040 -6.595 460 HB2 LYS 57 HB2 LYS 57 -10.313 -1.933 -8.153 461 HB3 LYS 57 HB3 LYS 57 -11.970 -1.433 -7.819 462 HG2 LYS 57 HG2 LYS 57 -10.865 -0.158 -10.236 463 HG3 LYS 57 HG3 LYS 57 -10.765 -1.907 -10.317 464 HD2 LYS 57 HD2 LYS 57 -13.340 -0.482 -9.550 465 HD3 LYS 57 HD3 LYS 57 -12.852 -0.641 -11.223 466 HE2 LYS 57 HE2 LYS 57 -13.168 -3.028 -9.348 467 HE3 LYS 57 HE3 LYS 57 -14.432 -2.433 -10.439 468 HZ1 LYS 57 HZ1 LYS 57 -12.823 -2.784 -12.280 469 HZ2 LYS 57 HZ2 LYS 57 -13.262 -4.184 -11.524 470 HZ3 LYS 57 HZ3 LYS 57 -11.806 -3.535 -11.237 471 H TYR 58 H TYR 58 -8.608 0.715 -6.099 472 HA TYR 58 HA TYR 58 -6.551 1.142 -8.205 473 HB2 TYR 58 HB2 TYR 58 -6.475 1.364 -5.181 474 HB3 TYR 58 HB3 TYR 58 -5.059 1.477 -6.213 475 HD1 TYR 58 HD1 TYR 58 -8.435 3.029 -5.653 476 HD2 TYR 58 HD2 TYR 58 -4.435 3.577 -7.150 477 HE1 TYR 58 HE1 TYR 58 -8.950 5.417 -6.164 478 HE2 TYR 58 HE2 TYR 58 -4.825 5.991 -7.370 479 HH TYR 58 HH TYR 58 -6.289 7.713 -6.914 480 H VAL 59 H VAL 59 -5.836 -0.682 -9.034 481 HA VAL 59 HA VAL 59 -5.500 -3.226 -7.522 482 HB VAL 59 HB VAL 59 -5.099 -2.384 -10.434 483 HG11 VAL 59 HG11 VAL 59 -4.422 -5.042 -9.098 484 HG12 VAL 59 HG12 VAL 59 -4.487 -4.762 -10.853 485 HG13 VAL 59 HG13 VAL 59 -3.279 -3.930 -9.884 486 HG21 VAL 59 HG21 VAL 59 -6.811 -4.057 -10.908 487 HG22 VAL 59 HG22 VAL 59 -6.888 -4.531 -9.202 488 HG23 VAL 59 HG23 VAL 59 -7.454 -2.932 -9.710 489 H ILE 60 H ILE 60 -3.381 -3.764 -6.957 490 HA ILE 60 HA ILE 60 -1.122 -2.129 -7.826 491 HB ILE 60 HB ILE 60 -0.362 -2.319 -5.271 492 HG12 ILE 60 HG12 ILE 60 -3.344 -1.832 -4.966 493 HG13 ILE 60 HG13 ILE 60 -2.592 -3.372 -4.590 494 HG21 ILE 60 HG21 ILE 60 -2.183 -0.050 -6.136 495 HG22 ILE 60 HG22 ILE 60 -0.749 0.005 -5.061 496 HG23 ILE 60 HG23 ILE 60 -0.537 -0.294 -6.765 497 HD11 ILE 60 HD11 ILE 60 -3.005 -1.870 -2.605 498 HD12 ILE 60 HD12 ILE 60 -1.334 -2.449 -2.784 499 HD13 ILE 60 HD13 ILE 60 -1.777 -0.783 -3.247 500 H GLU 61 H GLU 61 0.270 -3.474 -8.481 501 HA GLU 61 HA GLU 61 0.503 -6.178 -7.271 502 HB2 GLU 61 HB2 GLU 61 1.712 -5.207 -9.878 503 HB3 GLU 61 HB3 GLU 61 1.668 -6.847 -9.217 504 HG2 GLU 61 HG2 GLU 61 -0.058 -7.118 -10.604 505 HG3 GLU 61 HG3 GLU 61 -0.984 -6.412 -9.304 506 H LYS 62 H LYS 62 2.778 -6.948 -7.400 507 HA LYS 62 HA LYS 62 4.271 -5.877 -5.350 508 HB2 LYS 62 HB2 LYS 62 5.684 -7.820 -5.806 509 HB3 LYS 62 HB3 LYS 62 3.976 -8.210 -5.860 510 HG2 LYS 62 HG2 LYS 62 4.240 -7.883 -8.470 511 HG3 LYS 62 HG3 LYS 62 5.958 -7.975 -8.170 512 HD2 LYS 62 HD2 LYS 62 4.991 -10.158 -6.720 513 HD3 LYS 62 HD3 LYS 62 3.885 -10.076 -8.096 514 HE2 LYS 62 HE2 LYS 62 5.652 -11.548 -8.718 515 HE3 LYS 62 HE3 LYS 62 5.914 -10.053 -9.623 516 HZ1 LYS 62 HZ1 LYS 62 7.600 -9.453 -7.932 517 HZ2 LYS 62 HZ2 LYS 62 7.934 -10.948 -8.601 518 HZ3 LYS 62 HZ3 LYS 62 7.303 -10.835 -7.115 519 H GLY 63 H GLY 63 4.429 -3.738 -6.571 520 HA2 GLY 63 HA2 GLY 63 7.142 -3.051 -6.635 521 HA3 GLY 63 HA3 GLY 63 6.664 -3.179 -8.324 522 H ASP 64 H ASP 64 3.810 -2.218 -7.196 523 HA ASP 64 HA ASP 64 4.187 0.560 -7.969 524 HB2 ASP 64 HB2 ASP 64 1.863 -1.147 -7.018 525 HB3 ASP 64 HB3 ASP 64 1.699 0.570 -7.347 526 H LEU 65 H LEU 65 5.026 2.044 -6.389 527 HA LEU 65 HA LEU 65 4.847 1.397 -3.521 528 HB2 LEU 65 HB2 LEU 65 6.921 2.375 -4.445 529 HB3 LEU 65 HB3 LEU 65 6.011 3.712 -5.108 530 HG LEU 65 HG LEU 65 5.354 4.258 -2.631 531 HD11 LEU 65 HD11 LEU 65 6.697 3.395 -0.905 532 HD12 LEU 65 HD12 LEU 65 7.946 2.813 -2.005 533 HD13 LEU 65 HD13 LEU 65 6.408 1.969 -1.892 534 HD21 LEU 65 HD21 LEU 65 6.909 5.559 -4.077 535 HD22 LEU 65 HD22 LEU 65 8.254 4.620 -3.412 536 HD23 LEU 65 HD23 LEU 65 7.260 5.645 -2.343 537 H VAL 66 H VAL 66 3.567 2.578 -2.083 538 HA VAL 66 HA VAL 66 1.421 4.255 -3.279 539 HB VAL 66 HB VAL 66 1.238 2.160 -1.070 540 HG11 VAL 66 HG11 VAL 66 -1.192 2.443 -1.272 541 HG12 VAL 66 HG12 VAL 66 -0.449 3.928 -0.763 542 HG13 VAL 66 HG13 VAL 66 -0.976 3.752 -2.451 543 HG21 VAL 66 HG21 VAL 66 1.556 0.985 -3.164 544 HG22 VAL 66 HG22 VAL 66 -0.137 0.873 -2.739 545 HG23 VAL 66 HG23 VAL 66 0.395 2.017 -3.999 546 H THR 67 H THR 67 0.563 5.873 -1.882 547 HA THR 67 HA THR 67 1.776 6.275 0.758 548 HB THR 67 HB THR 67 1.689 8.515 -1.277 549 HG1 THR 67 HG1 THR 67 3.748 6.807 -0.394 550 HG21 THR 67 HG21 THR 67 1.415 9.256 1.118 551 HG22 THR 67 HG22 THR 67 3.005 9.737 0.487 552 HG23 THR 67 HG23 THR 67 2.835 8.341 1.576 553 H PHE 68 H PHE 68 -0.146 6.109 1.893 554 HA PHE 68 HA PHE 68 -2.646 7.282 0.835 555 HB2 PHE 68 HB2 PHE 68 -1.952 5.927 3.467 556 HB3 PHE 68 HB3 PHE 68 -3.548 6.516 3.038 557 HD1 PHE 68 HD1 PHE 68 -4.598 5.673 0.776 558 HD2 PHE 68 HD2 PHE 68 -1.331 3.723 2.822 559 HE1 PHE 68 HE1 PHE 68 -5.069 3.584 -0.465 560 HE2 PHE 68 HE2 PHE 68 -1.735 1.660 1.469 561 HZ PHE 68 HZ PHE 68 -3.629 1.588 -0.128 562 HA PRO 69 HA PRO 69 -1.813 11.145 2.848 563 HB2 PRO 69 HB2 PRO 69 -4.204 12.362 2.896 564 HB3 PRO 69 HB3 PRO 69 -3.599 11.749 1.325 565 HG2 PRO 69 HG2 PRO 69 -5.408 10.261 3.298 566 HG3 PRO 69 HG3 PRO 69 -5.772 10.702 1.632 567 HD2 PRO 69 HD2 PRO 69 -4.671 8.263 2.263 568 HD3 PRO 69 HD3 PRO 69 -4.154 9.109 0.787 569 H LYS 70 H LYS 70 -2.797 12.562 4.566 570 HA LYS 70 HA LYS 70 -3.397 11.103 7.076 571 HB2 LYS 70 HB2 LYS 70 -1.642 12.840 7.104 572 HB3 LYS 70 HB3 LYS 70 -2.792 14.054 6.528 573 HG2 LYS 70 HG2 LYS 70 -4.059 13.927 8.606 574 HG3 LYS 70 HG3 LYS 70 -3.161 12.500 9.095 575 HD2 LYS 70 HD2 LYS 70 -1.104 13.671 9.308 576 HD3 LYS 70 HD3 LYS 70 -1.823 15.154 8.681 577 HE2 LYS 70 HE2 LYS 70 -3.319 15.299 10.610 578 HE3 LYS 70 HE3 LYS 70 -2.787 13.708 11.183 579 HZ1 LYS 70 HZ1 LYS 70 -1.065 16.112 11.001 580 HZ2 LYS 70 HZ2 LYS 70 -0.572 14.637 11.482 581 HZ3 LYS 70 HZ3 LYS 70 -1.672 15.480 12.378 582 H GLY 71 H GLY 71 -5.480 10.332 6.497 583 HA2 GLY 71 HA2 GLY 71 -7.733 10.813 7.133 584 HA3 GLY 71 HA3 GLY 71 -7.634 12.394 6.371 585 H LEU 72 H LEU 72 -7.907 8.922 5.843 586 HA LEU 72 HA LEU 72 -9.706 9.387 3.673 587 HB2 LEU 72 HB2 LEU 72 -7.572 9.238 2.394 588 HB3 LEU 72 HB3 LEU 72 -7.165 7.736 3.224 589 HG LEU 72 HG LEU 72 -9.093 6.610 2.118 590 HD11 LEU 72 HD11 LEU 72 -10.287 7.736 0.276 591 HD12 LEU 72 HD12 LEU 72 -9.423 9.251 0.598 592 HD13 LEU 72 HD13 LEU 72 -10.579 8.589 1.771 593 HD21 LEU 72 HD21 LEU 72 -8.121 6.557 -0.124 594 HD22 LEU 72 HD22 LEU 72 -6.876 6.517 1.127 595 HD23 LEU 72 HD23 LEU 72 -7.182 8.026 0.230 596 H ARG 73 H ARG 73 -11.141 7.451 3.462 597 HA ARG 73 HA ARG 73 -10.276 5.041 4.888 598 HB2 ARG 73 HB2 ARG 73 -12.342 4.600 5.930 599 HB3 ARG 73 HB3 ARG 73 -11.576 6.057 6.536 600 HG2 ARG 73 HG2 ARG 73 -13.912 6.162 4.599 601 HG3 ARG 73 HG3 ARG 73 -14.093 6.021 6.340 602 HD2 ARG 73 HD2 ARG 73 -12.793 8.128 6.646 603 HD3 ARG 73 HD3 ARG 73 -12.777 8.355 4.902 604 HE ARG 73 HE ARG 73 -15.093 8.486 6.759 605 HH11 ARG 73 HH11 ARG 73 -13.972 8.944 3.386 606 HH12 ARG 73 HH12 ARG 73 -15.576 8.902 2.749 607 HH21 ARG 73 HH21 ARG 73 -17.218 8.853 5.872 608 HH22 ARG 73 HH22 ARG 73 -17.331 9.282 4.193 609 H CYS 74 H CYS 74 -10.606 3.274 3.559 610 HA CYS 74 HA CYS 74 -12.614 3.265 1.442 611 HB2 CYS 74 HB2 CYS 74 -9.653 3.128 0.860 612 HB3 CYS 74 HB3 CYS 74 -10.888 2.600 -0.262 613 HG CYS 74 HG CYS 74 -9.671 5.011 -0.730 614 H ARG 75 H ARG 75 -12.391 0.965 0.286 615 HA ARG 75 HA ARG 75 -12.270 -1.008 2.454 616 HB2 ARG 75 HB2 ARG 75 -13.218 -1.090 -0.393 617 HB3 ARG 75 HB3 ARG 75 -12.782 -2.574 0.425 618 HG2 ARG 75 HG2 ARG 75 -15.102 -2.318 0.706 619 HG3 ARG 75 HG3 ARG 75 -14.295 -2.175 2.264 620 HD2 ARG 75 HD2 ARG 75 -16.082 -0.446 2.016 621 HD3 ARG 75 HD3 ARG 75 -14.474 0.255 2.157 622 HE ARG 75 HE ARG 75 -14.583 1.119 0.022 623 HH11 ARG 75 HH11 ARG 75 -17.429 -0.926 0.543 624 HH12 ARG 75 HH12 ARG 75 -18.012 -0.770 -1.077 625 HH21 ARG 75 HH21 ARG 75 -15.581 1.649 -2.027 626 HH22 ARG 75 HH22 ARG 75 -17.059 0.907 -2.458 627 H TRP 76 H TRP 76 -11.060 -3.022 2.175 628 HA TRP 76 HA TRP 76 -8.618 -2.823 0.549 629 HB2 TRP 76 HB2 TRP 76 -8.764 -2.798 3.499 630 HB3 TRP 76 HB3 TRP 76 -7.755 -4.081 2.856 631 HD1 TRP 76 HD1 TRP 76 -8.124 -0.262 2.211 632 HE1 TRP 76 HE1 TRP 76 -5.822 0.678 1.612 633 HE3 TRP 76 HE3 TRP 76 -5.359 -4.577 2.518 634 HZ2 TRP 76 HZ2 TRP 76 -3.134 -0.304 1.304 635 HZ3 TRP 76 HZ3 TRP 76 -2.959 -4.550 1.983 636 HH2 TRP 76 HH2 TRP 76 -1.830 -2.422 1.346 637 H LYS 77 H LYS 77 -9.121 -4.474 -0.887 638 HA LYS 77 HA LYS 77 -10.129 -7.059 0.207 639 HB2 LYS 77 HB2 LYS 77 -11.503 -6.152 -1.549 640 HB3 LYS 77 HB3 LYS 77 -10.116 -5.863 -2.594 641 HG2 LYS 77 HG2 LYS 77 -9.852 -8.027 -3.192 642 HG3 LYS 77 HG3 LYS 77 -10.415 -8.693 -1.659 643 HD2 LYS 77 HD2 LYS 77 -12.282 -7.402 -3.699 644 HD3 LYS 77 HD3 LYS 77 -11.918 -9.143 -3.620 645 HE2 LYS 77 HE2 LYS 77 -12.612 -9.214 -1.252 646 HE3 LYS 77 HE3 LYS 77 -13.053 -7.496 -1.329 647 HZ1 LYS 77 HZ1 LYS 77 -14.983 -8.623 -1.613 648 HZ2 LYS 77 HZ2 LYS 77 -14.333 -9.759 -2.641 649 HZ3 LYS 77 HZ3 LYS 77 -14.600 -8.234 -3.184 650 H VAL 78 H VAL 78 -8.489 -8.469 0.681 651 HA VAL 78 HA VAL 78 -5.894 -8.210 -0.659 652 HB VAL 78 HB VAL 78 -6.593 -10.311 1.389 653 HG11 VAL 78 HG11 VAL 78 -4.089 -8.775 0.600 654 HG12 VAL 78 HG12 VAL 78 -4.175 -9.867 2.011 655 HG13 VAL 78 HG13 VAL 78 -4.481 -10.493 0.404 656 HG21 VAL 78 HG21 VAL 78 -6.191 -7.371 2.064 657 HG22 VAL 78 HG22 VAL 78 -7.458 -8.461 2.617 658 HG23 VAL 78 HG23 VAL 78 -5.830 -8.698 3.218 659 H LEU 79 H LEU 79 -5.906 -9.172 -2.634 660 HA LEU 79 HA LEU 79 -7.732 -11.477 -3.099 661 HB2 LEU 79 HB2 LEU 79 -5.945 -9.927 -4.996 662 HB3 LEU 79 HB3 LEU 79 -6.915 -11.331 -5.439 663 HG LEU 79 HG LEU 79 -8.030 -8.710 -4.343 664 HD11 LEU 79 HD11 LEU 79 -8.828 -8.282 -6.602 665 HD12 LEU 79 HD12 LEU 79 -8.091 -9.801 -7.180 666 HD13 LEU 79 HD13 LEU 79 -7.095 -8.460 -6.580 667 HD21 LEU 79 HD21 LEU 79 -9.558 -10.535 -3.775 668 HD22 LEU 79 HD22 LEU 79 -9.443 -11.202 -5.414 669 HD23 LEU 79 HD23 LEU 79 -10.237 -9.642 -5.137 670 H GLU 80 H GLU 80 -4.379 -10.698 -2.375 671 HA GLU 80 HA GLU 80 -3.861 -13.551 -2.109 672 HB2 GLU 80 HB2 GLU 80 -1.972 -11.808 -3.781 673 HB3 GLU 80 HB3 GLU 80 -1.687 -13.476 -3.325 674 HG2 GLU 80 HG2 GLU 80 -3.717 -14.129 -4.655 675 HG3 GLU 80 HG3 GLU 80 -3.797 -12.445 -5.237 676 HA PRO 81 HA PRO 81 -2.198 -11.952 1.499 677 HB2 PRO 81 HB2 PRO 81 -0.157 -13.644 2.243 678 HB3 PRO 81 HB3 PRO 81 -1.894 -14.049 2.288 679 HG2 PRO 81 HG2 PRO 81 0.113 -14.691 0.115 680 HG3 PRO 81 HG3 PRO 81 -1.072 -15.794 0.883 681 HD2 PRO 81 HD2 PRO 81 -1.576 -14.610 -1.492 682 HD3 PRO 81 HD3 PRO 81 -2.885 -14.792 -0.291 683 H VAL 82 H VAL 82 -1.514 -9.990 0.894 684 HA VAL 82 HA VAL 82 0.922 -9.484 -0.474 685 HB VAL 82 HB VAL 82 -1.235 -8.122 -0.424 686 HG11 VAL 82 HG11 VAL 82 -1.489 -6.374 1.213 687 HG12 VAL 82 HG12 VAL 82 -1.352 -7.926 2.081 688 HG13 VAL 82 HG13 VAL 82 0.027 -6.824 2.029 689 HG21 VAL 82 HG21 VAL 82 0.722 -7.330 -1.603 690 HG22 VAL 82 HG22 VAL 82 -0.108 -5.984 -0.832 691 HG23 VAL 82 HG23 VAL 82 1.394 -6.617 -0.119 692 H ARG 83 H ARG 83 2.845 -8.611 0.198 693 HA ARG 83 HA ARG 83 3.190 -8.167 3.108 694 HB2 ARG 83 HB2 ARG 83 4.532 -10.188 1.587 695 HB3 ARG 83 HB3 ARG 83 5.725 -8.939 1.875 696 HG2 ARG 83 HG2 ARG 83 5.816 -9.373 4.137 697 HG3 ARG 83 HG3 ARG 83 4.081 -9.725 4.266 698 HD2 ARG 83 HD2 ARG 83 4.328 -11.878 3.295 699 HD3 ARG 83 HD3 ARG 83 6.015 -11.582 2.866 700 HE ARG 83 HE ARG 83 5.883 -11.304 5.654 701 HH11 ARG 83 HH11 ARG 83 5.254 -13.812 3.204 702 HH12 ARG 83 HH12 ARG 83 5.397 -15.132 4.253 703 HH21 ARG 83 HH21 ARG 83 6.127 -13.021 7.110 704 HH22 ARG 83 HH22 ARG 83 5.691 -14.636 6.652 705 H LYS 84 H LYS 84 3.442 -6.066 3.311 706 HA LYS 84 HA LYS 84 4.935 -4.638 1.266 707 HB2 LYS 84 HB2 LYS 84 3.367 -2.713 1.268 708 HB3 LYS 84 HB3 LYS 84 2.962 -4.088 0.360 709 HG2 LYS 84 HG2 LYS 84 1.044 -3.020 1.323 710 HG3 LYS 84 HG3 LYS 84 1.161 -4.752 1.537 711 HD2 LYS 84 HD2 LYS 84 1.534 -4.613 3.775 712 HD3 LYS 84 HD3 LYS 84 1.991 -3.000 3.862 713 HE2 LYS 84 HE2 LYS 84 -0.230 -2.258 2.908 714 HE3 LYS 84 HE3 LYS 84 -0.824 -3.895 3.203 715 HZ1 LYS 84 HZ1 LYS 84 -0.448 -3.531 5.552 716 HZ2 LYS 84 HZ2 LYS 84 -1.333 -2.281 4.958 717 HZ3 LYS 84 HZ3 LYS 84 0.226 -2.050 5.290 718 H HIS 85 H HIS 85 6.421 -3.468 2.048 719 HA HIS 85 HA HIS 85 6.899 -3.307 4.929 720 HB2 HIS 85 HB2 HIS 85 8.357 -2.610 2.343 721 HB3 HIS 85 HB3 HIS 85 8.818 -1.714 3.763 722 HD1 HIS 85 HD1 HIS 85 10.262 -4.547 2.150 723 HD2 HIS 85 HD2 HIS 85 9.060 -3.557 6.062 724 HE1 HIS 85 HE1 HIS 85 11.299 -6.294 3.751 725 H TYR 86 H TYR 86 5.809 -1.586 6.114 726 HA TYR 86 HA TYR 86 4.820 0.758 4.521 727 HB2 TYR 86 HB2 TYR 86 3.141 1.071 6.138 728 HB3 TYR 86 HB3 TYR 86 3.083 -0.608 5.666 729 HD1 TYR 86 HD1 TYR 86 3.846 -2.405 7.226 730 HD2 TYR 86 HD2 TYR 86 3.609 1.740 8.422 731 HE1 TYR 86 HE1 TYR 86 3.952 -3.098 9.585 732 HE2 TYR 86 HE2 TYR 86 3.783 1.069 10.785 733 HH TYR 86 HH TYR 86 3.568 -2.242 11.876 734 H ASN 87 H ASN 87 4.913 2.910 5.659 735 HA ASN 87 HA ASN 87 6.527 3.076 8.097 736 HB2 ASN 87 HB2 ASN 87 8.151 3.172 6.207 737 HB3 ASN 87 HB3 ASN 87 7.378 4.649 5.625 738 HD21 ASN 87 HD21 ASN 87 9.706 5.347 5.943 739 HD22 ASN 87 HD22 ASN 87 10.264 5.850 7.511 740 H LEU 88 H LEU 88 5.309 4.290 9.353 741 HA LEU 88 HA LEU 88 3.259 6.164 8.507 742 HB2 LEU 88 HB2 LEU 88 4.723 5.845 11.163 743 HB3 LEU 88 HB3 LEU 88 3.208 6.709 10.933 744 HG LEU 88 HG LEU 88 3.530 3.702 10.456 745 HD11 LEU 88 HD11 LEU 88 2.426 5.163 12.896 746 HD12 LEU 88 HD12 LEU 88 3.946 4.249 12.824 747 HD13 LEU 88 HD13 LEU 88 2.398 3.413 12.621 748 HD21 LEU 88 HD21 LEU 88 1.098 3.640 10.543 749 HD22 LEU 88 HD22 LEU 88 1.653 4.686 9.230 750 HD23 LEU 88 HD23 LEU 88 1.057 5.413 10.738 751 H PHE 89 H PHE 89 3.392 8.546 8.556 752 HA PHE 89 HA PHE 89 5.486 9.971 9.657 753 HB2 PHE 89 HB2 PHE 89 6.663 10.888 7.818 754 HB3 PHE 89 HB3 PHE 89 6.859 9.166 7.709 755 HD1 PHE 89 HD1 PHE 89 4.609 8.118 6.181 756 HD2 PHE 89 HD2 PHE 89 6.687 11.881 5.716 757 HE1 PHE 89 HE1 PHE 89 3.904 8.236 3.837 758 HE2 PHE 89 HE2 PHE 89 5.980 11.974 3.353 759 HZ PHE 89 HZ PHE 89 4.578 10.145 2.403 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -3.884 16.704 -4.840 2 HA MET 1 HA MET 1 -4.517 14.541 -5.865 3 HB2 MET 1 HB2 MET 1 -2.054 15.744 -5.981 4 HB3 MET 1 HB3 MET 1 -1.607 14.243 -5.236 5 HG2 MET 1 HG2 MET 1 -1.403 13.703 -7.470 6 HG3 MET 1 HG3 MET 1 -3.037 13.133 -7.132 7 HE1 MET 1 HE1 MET 1 -1.857 16.832 -9.663 8 HE2 MET 1 HE2 MET 1 -1.424 16.724 -7.950 9 HE3 MET 1 HE3 MET 1 -0.745 15.562 -9.107 10 H GLU 2 H GLU 2 -5.518 12.742 -4.941 11 HA GLU 2 HA GLU 2 -4.578 11.851 -2.286 12 HB2 GLU 2 HB2 GLU 2 -6.568 10.592 -2.147 13 HB3 GLU 2 HB3 GLU 2 -6.972 12.208 -2.737 14 HG2 GLU 2 HG2 GLU 2 -6.938 11.179 -5.097 15 HG3 GLU 2 HG3 GLU 2 -6.929 9.605 -4.306 16 H VAL 3 H VAL 3 -3.990 9.719 -1.901 17 HA VAL 3 HA VAL 3 -2.644 7.914 -2.208 18 HB VAL 3 HB VAL 3 -5.087 7.291 -3.880 19 HG11 VAL 3 HG11 VAL 3 -4.800 5.027 -2.788 20 HG12 VAL 3 HG12 VAL 3 -3.480 5.424 -3.871 21 HG13 VAL 3 HG13 VAL 3 -3.278 5.569 -2.099 22 HG21 VAL 3 HG21 VAL 3 -5.814 8.339 -1.810 23 HG22 VAL 3 HG22 VAL 3 -5.978 6.615 -1.592 24 HG23 VAL 3 HG23 VAL 3 -4.595 7.443 -0.869 25 H LYS 4 H LYS 4 -0.808 8.655 -3.121 26 HA LYS 4 HA LYS 4 -0.524 8.868 -6.027 27 HB2 LYS 4 HB2 LYS 4 0.756 10.175 -4.108 28 HB3 LYS 4 HB3 LYS 4 1.832 8.786 -4.115 29 HG2 LYS 4 HG2 LYS 4 1.986 9.058 -6.671 30 HG3 LYS 4 HG3 LYS 4 1.090 10.572 -6.458 31 HD2 LYS 4 HD2 LYS 4 2.894 11.387 -4.926 32 HD3 LYS 4 HD3 LYS 4 3.757 9.862 -5.234 33 HE2 LYS 4 HE2 LYS 4 3.711 10.479 -7.719 34 HE3 LYS 4 HE3 LYS 4 3.149 12.089 -7.215 35 HZ1 LYS 4 HZ1 LYS 4 5.145 12.251 -5.850 36 HZ2 LYS 4 HZ2 LYS 4 5.544 12.051 -7.414 37 HZ3 LYS 4 HZ3 LYS 4 5.654 10.757 -6.411 38 H ILE 5 H ILE 5 -0.704 6.935 -7.033 39 HA ILE 5 HA ILE 5 0.888 4.626 -5.987 40 HB ILE 5 HB ILE 5 -1.386 4.533 -7.993 41 HG12 ILE 5 HG12 ILE 5 -1.347 3.354 -5.168 42 HG13 ILE 5 HG13 ILE 5 -1.989 4.957 -5.492 43 HG21 ILE 5 HG21 ILE 5 0.327 2.386 -6.656 44 HG22 ILE 5 HG22 ILE 5 -1.035 2.049 -7.746 45 HG23 ILE 5 HG23 ILE 5 0.425 2.847 -8.354 46 HD11 ILE 5 HD11 ILE 5 -3.071 2.384 -6.683 47 HD12 ILE 5 HD12 ILE 5 -3.830 3.432 -5.463 48 HD13 ILE 5 HD13 ILE 5 -3.610 4.025 -7.111 49 H GLU 6 H GLU 6 2.852 4.588 -6.959 50 HA GLU 6 HA GLU 6 3.010 5.140 -9.827 51 HB2 GLU 6 HB2 GLU 6 4.882 6.645 -9.638 52 HB3 GLU 6 HB3 GLU 6 3.355 7.365 -9.106 53 HG2 GLU 6 HG2 GLU 6 3.989 7.161 -6.771 54 HG3 GLU 6 HG3 GLU 6 5.412 6.205 -7.202 55 H LYS 7 H LYS 7 5.669 5.060 -10.345 56 HA LYS 7 HA LYS 7 6.224 2.343 -9.381 57 HB2 LYS 7 HB2 LYS 7 6.536 2.887 -12.285 58 HB3 LYS 7 HB3 LYS 7 6.454 1.377 -11.368 59 HG2 LYS 7 HG2 LYS 7 4.104 3.192 -11.966 60 HG3 LYS 7 HG3 LYS 7 4.503 1.667 -12.742 61 HD2 LYS 7 HD2 LYS 7 3.540 0.454 -11.115 62 HD3 LYS 7 HD3 LYS 7 4.393 1.346 -9.877 63 HE2 LYS 7 HE2 LYS 7 2.227 1.964 -9.344 64 HE3 LYS 7 HE3 LYS 7 2.656 3.276 -10.443 65 HZ1 LYS 7 HZ1 LYS 7 0.905 1.014 -10.855 66 HZ2 LYS 7 HZ2 LYS 7 1.623 1.681 -12.198 67 HZ3 LYS 7 HZ3 LYS 7 0.623 2.576 -11.225 68 HA PRO 8 HA PRO 8 9.992 4.883 -9.163 69 HB2 PRO 8 HB2 PRO 8 10.897 4.095 -6.710 70 HB3 PRO 8 HB3 PRO 8 9.522 5.216 -6.926 71 HG2 PRO 8 HG2 PRO 8 9.369 2.247 -6.280 72 HG3 PRO 8 HG3 PRO 8 8.446 3.616 -5.635 73 HD2 PRO 8 HD2 PRO 8 7.609 1.938 -7.687 74 HD3 PRO 8 HD3 PRO 8 6.980 3.588 -7.412 75 H THR 9 H THR 9 12.203 4.468 -9.430 76 HA THR 9 HA THR 9 13.150 2.014 -10.429 77 HB THR 9 HB THR 9 14.193 4.148 -10.923 78 HG1 THR 9 HG1 THR 9 16.378 3.513 -10.465 79 HG21 THR 9 HG21 THR 9 15.198 4.096 -8.068 80 HG22 THR 9 HG22 THR 9 13.941 5.197 -8.667 81 HG23 THR 9 HG23 THR 9 15.601 5.300 -9.292 82 HA PRO 10 HA PRO 10 13.537 -0.251 -6.715 83 HB2 PRO 10 HB2 PRO 10 15.323 -2.235 -7.349 84 HB3 PRO 10 HB3 PRO 10 13.669 -2.140 -8.017 85 HG2 PRO 10 HG2 PRO 10 16.239 -1.118 -9.288 86 HG3 PRO 10 HG3 PRO 10 14.991 -2.180 -10.026 87 HD2 PRO 10 HD2 PRO 10 15.002 0.484 -10.446 88 HD3 PRO 10 HD3 PRO 10 13.458 -0.377 -10.184 89 H GLU 11 H GLU 11 16.524 1.154 -8.040 90 HA GLU 11 HA GLU 11 18.178 0.602 -5.769 91 HB2 GLU 11 HB2 GLU 11 18.284 2.982 -7.688 92 HB3 GLU 11 HB3 GLU 11 19.579 2.400 -6.627 93 HG2 GLU 11 HG2 GLU 11 19.642 0.259 -7.900 94 HG3 GLU 11 HG3 GLU 11 18.430 0.914 -9.021 95 H LYS 12 H LYS 12 16.053 3.374 -6.563 96 HA LYS 12 HA LYS 12 16.578 5.007 -4.331 97 HB2 LYS 12 HB2 LYS 12 15.129 5.559 -6.338 98 HB3 LYS 12 HB3 LYS 12 13.874 4.520 -5.666 99 HG2 LYS 12 HG2 LYS 12 13.111 6.512 -4.906 100 HG3 LYS 12 HG3 LYS 12 14.169 6.155 -3.545 101 HD2 LYS 12 HD2 LYS 12 15.951 7.562 -4.611 102 HD3 LYS 12 HD3 LYS 12 14.843 7.872 -5.970 103 HE2 LYS 12 HE2 LYS 12 13.181 8.803 -4.346 104 HE3 LYS 12 HE3 LYS 12 14.413 8.678 -3.071 105 HZ1 LYS 12 HZ1 LYS 12 15.769 10.234 -4.280 106 HZ2 LYS 12 HZ2 LYS 12 14.277 10.893 -4.128 107 HZ3 LYS 12 HZ3 LYS 12 14.762 10.272 -5.558 108 H LEU 13 H LEU 13 14.323 2.258 -4.643 109 HA LEU 13 HA LEU 13 13.204 2.477 -2.027 110 HB2 LEU 13 HB2 LEU 13 13.392 0.325 -4.131 111 HB3 LEU 13 HB3 LEU 13 12.901 -0.126 -2.520 112 HG LEU 13 HG LEU 13 11.035 0.354 -4.144 113 HD11 LEU 13 HD11 LEU 13 10.645 0.460 -1.699 114 HD12 LEU 13 HD12 LEU 13 9.619 1.544 -2.649 115 HD13 LEU 13 HD13 LEU 13 10.984 2.218 -1.751 116 HD21 LEU 13 HD21 LEU 13 11.967 3.258 -3.890 117 HD22 LEU 13 HD22 LEU 13 10.394 2.760 -4.442 118 HD23 LEU 13 HD23 LEU 13 11.825 2.265 -5.363 119 H LYS 14 H LYS 14 16.240 0.937 -3.170 120 HA LYS 14 HA LYS 14 16.816 -0.428 -0.716 121 HB2 LYS 14 HB2 LYS 14 18.732 0.652 -2.755 122 HB3 LYS 14 HB3 LYS 14 19.055 -0.567 -1.548 123 HG2 LYS 14 HG2 LYS 14 16.781 -1.299 -3.327 124 HG3 LYS 14 HG3 LYS 14 18.236 -0.921 -4.219 125 HD2 LYS 14 HD2 LYS 14 18.530 -3.174 -3.923 126 HD3 LYS 14 HD3 LYS 14 19.406 -2.500 -2.555 127 HE2 LYS 14 HE2 LYS 14 18.169 -4.246 -1.603 128 HE3 LYS 14 HE3 LYS 14 17.238 -2.796 -1.199 129 HZ1 LYS 14 HZ1 LYS 14 16.660 -4.675 -3.426 130 HZ2 LYS 14 HZ2 LYS 14 15.773 -3.347 -3.108 131 HZ3 LYS 14 HZ3 LYS 14 15.818 -4.613 -2.045 132 H GLU 15 H GLU 15 17.644 2.779 -2.085 133 HA GLU 15 HA GLU 15 19.302 3.734 0.010 134 HB2 GLU 15 HB2 GLU 15 17.473 5.476 -1.714 135 HB3 GLU 15 HB3 GLU 15 18.841 5.991 -0.739 136 HG2 GLU 15 HG2 GLU 15 20.109 4.218 -2.237 137 HG3 GLU 15 HG3 GLU 15 18.802 4.588 -3.366 138 H LEU 16 H LEU 16 15.893 4.333 -0.549 139 HA LEU 16 HA LEU 16 15.267 5.961 1.644 140 HB2 LEU 16 HB2 LEU 16 13.587 3.937 0.107 141 HB3 LEU 16 HB3 LEU 16 12.918 5.051 1.284 142 HG LEU 16 HG LEU 16 14.298 5.831 -1.305 143 HD11 LEU 16 HD11 LEU 16 12.041 4.865 -1.579 144 HD12 LEU 16 HD12 LEU 16 12.061 6.601 -1.965 145 HD13 LEU 16 HD13 LEU 16 11.397 6.045 -0.416 146 HD21 LEU 16 HD21 LEU 16 13.582 8.119 -0.835 147 HD22 LEU 16 HD22 LEU 16 14.806 7.552 0.283 148 HD23 LEU 16 HD23 LEU 16 13.102 7.610 0.804 149 H SER 17 H SER 17 16.225 2.794 1.825 150 HA SER 17 HA SER 17 16.760 1.475 3.503 151 HB2 SER 17 HB2 SER 17 15.835 3.719 5.326 152 HB3 SER 17 HB3 SER 17 16.865 2.367 5.770 153 HG SER 17 HG SER 17 17.578 4.044 3.579 154 H VAL 18 H VAL 18 14.189 1.376 2.287 155 HA VAL 18 HA VAL 18 12.041 0.666 3.873 156 HB VAL 18 HB VAL 18 12.928 -0.326 1.132 157 HG11 VAL 18 HG11 VAL 18 10.501 -0.616 0.689 158 HG12 VAL 18 HG12 VAL 18 11.091 -1.704 1.951 159 HG13 VAL 18 HG13 VAL 18 10.190 -0.247 2.403 160 HG21 VAL 18 HG21 VAL 18 12.831 2.130 1.204 161 HG22 VAL 18 HG22 VAL 18 11.441 1.519 0.324 162 HG23 VAL 18 HG23 VAL 18 11.244 2.068 1.996 163 H GLU 19 H GLU 19 14.966 -1.278 3.182 164 HA GLU 19 HA GLU 19 13.834 -3.772 4.076 165 HB2 GLU 19 HB2 GLU 19 16.102 -4.534 4.277 166 HB3 GLU 19 HB3 GLU 19 15.906 -3.598 2.796 167 HG2 GLU 19 HG2 GLU 19 17.628 -2.337 3.334 168 HG3 GLU 19 HG3 GLU 19 16.756 -1.717 4.687 169 H LYS 20 H LYS 20 15.021 -0.969 5.826 170 HA LYS 20 HA LYS 20 15.038 -2.315 8.422 171 HB2 LYS 20 HB2 LYS 20 14.979 0.682 7.891 172 HB3 LYS 20 HB3 LYS 20 15.558 -0.127 9.335 173 HG2 LYS 20 HG2 LYS 20 17.495 -1.016 8.091 174 HG3 LYS 20 HG3 LYS 20 16.892 -0.229 6.616 175 HD2 LYS 20 HD2 LYS 20 18.246 1.446 7.238 176 HD3 LYS 20 HD3 LYS 20 16.856 1.935 8.177 177 HE2 LYS 20 HE2 LYS 20 18.480 2.139 9.757 178 HE3 LYS 20 HE3 LYS 20 18.004 0.467 10.089 179 HZ1 LYS 20 HZ1 LYS 20 19.881 -0.295 8.895 180 HZ2 LYS 20 HZ2 LYS 20 20.448 0.886 9.868 181 HZ3 LYS 20 HZ3 LYS 20 20.218 1.202 8.267 182 H TRP 21 H TRP 21 12.543 -1.063 6.419 183 HA TRP 21 HA TRP 21 11.025 0.366 8.468 184 HB2 TRP 21 HB2 TRP 21 10.333 -0.606 5.663 185 HB3 TRP 21 HB3 TRP 21 9.221 0.247 6.672 186 HD1 TRP 21 HD1 TRP 21 12.635 1.748 6.989 187 HE1 TRP 21 HE1 TRP 21 12.781 3.914 5.679 188 HE3 TRP 21 HE3 TRP 21 8.231 1.473 4.382 189 HZ2 TRP 21 HZ2 TRP 21 11.451 5.158 3.475 190 HZ3 TRP 21 HZ3 TRP 21 7.676 3.227 2.664 191 HH2 TRP 21 HH2 TRP 21 9.269 5.102 2.256 192 HA PRO 22 HA PRO 22 8.860 -3.110 10.110 193 HB2 PRO 22 HB2 PRO 22 6.236 -2.320 10.383 194 HB3 PRO 22 HB3 PRO 22 7.586 -1.739 11.412 195 HG2 PRO 22 HG2 PRO 22 6.419 -0.364 8.985 196 HG3 PRO 22 HG3 PRO 22 6.730 0.327 10.611 197 HD2 PRO 22 HD2 PRO 22 8.536 0.670 8.645 198 HD3 PRO 22 HD3 PRO 22 9.087 0.260 10.282 199 H ILE 23 H ILE 23 7.898 -4.939 9.476 200 HA ILE 23 HA ILE 23 6.807 -5.243 6.731 201 HB ILE 23 HB ILE 23 7.726 -7.185 8.914 202 HG12 ILE 23 HG12 ILE 23 8.731 -6.496 6.135 203 HG13 ILE 23 HG13 ILE 23 9.533 -6.161 7.640 204 HG21 ILE 23 HG21 ILE 23 7.150 -9.068 7.700 205 HG22 ILE 23 HG22 ILE 23 5.700 -8.120 7.549 206 HG23 ILE 23 HG23 ILE 23 6.880 -8.204 6.199 207 HD11 ILE 23 HD11 ILE 23 9.113 -8.898 6.360 208 HD12 ILE 23 HD12 ILE 23 10.615 -7.999 6.487 209 HD13 ILE 23 HD13 ILE 23 9.837 -8.630 7.970 210 H TRP 24 H TRP 24 4.635 -5.835 6.452 211 HA TRP 24 HA TRP 24 3.123 -6.837 8.725 212 HB2 TRP 24 HB2 TRP 24 2.699 -4.455 8.996 213 HB3 TRP 24 HB3 TRP 24 2.320 -4.278 7.288 214 HD1 TRP 24 HD1 TRP 24 0.797 -5.120 10.596 215 HE1 TRP 24 HE1 TRP 24 -1.748 -5.389 10.336 216 HE3 TRP 24 HE3 TRP 24 0.549 -5.360 5.560 217 HZ2 TRP 24 HZ2 TRP 24 -3.660 -5.718 8.158 218 HZ3 TRP 24 HZ3 TRP 24 -1.616 -5.761 4.370 219 HH2 TRP 24 HH2 TRP 24 -3.693 -5.916 5.655 220 H GLU 25 H GLU 25 1.942 -8.555 7.925 221 HA GLU 25 HA GLU 25 1.280 -8.655 5.075 222 HB2 GLU 25 HB2 GLU 25 1.486 -11.167 6.630 223 HB3 GLU 25 HB3 GLU 25 2.012 -10.732 5.014 224 HG2 GLU 25 HG2 GLU 25 3.969 -11.231 5.984 225 HG3 GLU 25 HG3 GLU 25 3.970 -9.480 6.140 226 H LYS 26 H LYS 26 -0.647 -10.454 4.911 227 HA LYS 26 HA LYS 26 -2.457 -10.537 7.176 228 HB2 LYS 26 HB2 LYS 26 -2.783 -8.417 5.282 229 HB3 LYS 26 HB3 LYS 26 -4.044 -9.603 4.954 230 HG2 LYS 26 HG2 LYS 26 -3.540 -8.509 7.744 231 HG3 LYS 26 HG3 LYS 26 -4.578 -7.696 6.557 232 HD2 LYS 26 HD2 LYS 26 -5.968 -9.740 6.339 233 HD3 LYS 26 HD3 LYS 26 -5.030 -10.469 7.641 234 HE2 LYS 26 HE2 LYS 26 -5.705 -8.829 9.234 235 HE3 LYS 26 HE3 LYS 26 -6.299 -7.744 7.983 236 HZ1 LYS 26 HZ1 LYS 26 -8.202 -9.075 7.682 237 HZ2 LYS 26 HZ2 LYS 26 -7.976 -9.175 9.318 238 HZ3 LYS 26 HZ3 LYS 26 -7.496 -10.391 8.373 239 H GLU 27 H GLU 27 -4.228 -12.035 6.690 240 HA GLU 27 HA GLU 27 -3.521 -14.013 4.701 241 HB2 GLU 27 HB2 GLU 27 -5.426 -15.201 5.454 242 HB3 GLU 27 HB3 GLU 27 -4.476 -14.586 6.813 243 HG2 GLU 27 HG2 GLU 27 -6.980 -13.173 5.858 244 HG3 GLU 27 HG3 GLU 27 -7.118 -14.629 6.829 245 H VAL 28 H VAL 28 -5.377 -14.814 3.322 246 HA VAL 28 HA VAL 28 -6.031 -12.668 1.431 247 HB VAL 28 HB VAL 28 -4.913 -14.617 0.647 248 HG11 VAL 28 HG11 VAL 28 -7.279 -16.381 1.359 249 HG12 VAL 28 HG12 VAL 28 -5.802 -16.837 0.504 250 HG13 VAL 28 HG13 VAL 28 -5.714 -16.373 2.199 251 HG21 VAL 28 HG21 VAL 28 -6.360 -13.432 -0.877 252 HG22 VAL 28 HG22 VAL 28 -6.333 -15.166 -1.253 253 HG23 VAL 28 HG23 VAL 28 -7.735 -14.445 -0.436 254 H SER 29 H SER 29 -7.439 -11.636 2.941 255 HA SER 29 HA SER 29 -10.212 -12.601 2.859 256 HB2 SER 29 HB2 SER 29 -9.058 -13.397 4.963 257 HB3 SER 29 HB3 SER 29 -8.824 -11.730 5.443 258 HG SER 29 HG SER 29 -10.829 -13.231 5.936 259 H GLU 30 H GLU 30 -11.335 -10.396 4.310 260 HA GLU 30 HA GLU 30 -10.250 -8.015 2.959 261 HB2 GLU 30 HB2 GLU 30 -12.239 -7.571 1.686 262 HB3 GLU 30 HB3 GLU 30 -11.529 -9.104 1.203 263 HG2 GLU 30 HG2 GLU 30 -13.430 -10.198 1.575 264 HG3 GLU 30 HG3 GLU 30 -13.484 -9.707 3.246 265 H PHE 31 H PHE 31 -11.103 -6.068 3.615 266 HA PHE 31 HA PHE 31 -12.963 -5.810 5.793 267 HB2 PHE 31 HB2 PHE 31 -11.110 -4.980 7.347 268 HB3 PHE 31 HB3 PHE 31 -11.207 -6.702 7.125 269 HD1 PHE 31 HD1 PHE 31 -9.225 -3.655 6.226 270 HD2 PHE 31 HD2 PHE 31 -9.427 -7.972 6.099 271 HE1 PHE 31 HE1 PHE 31 -6.845 -3.741 5.608 272 HE2 PHE 31 HE2 PHE 31 -7.018 -8.058 5.471 273 HZ PHE 31 HZ PHE 31 -5.742 -5.955 5.222 274 H ASP 32 H ASP 32 -11.879 -3.299 6.692 275 HA ASP 32 HA ASP 32 -11.366 -1.756 4.268 276 HB2 ASP 32 HB2 ASP 32 -12.942 -0.091 4.824 277 HB3 ASP 32 HB3 ASP 32 -13.843 -1.590 4.933 278 H TRP 33 H TRP 33 -10.360 0.352 4.819 279 HA TRP 33 HA TRP 33 -9.043 0.306 7.478 280 HB2 TRP 33 HB2 TRP 33 -7.676 -0.652 5.477 281 HB3 TRP 33 HB3 TRP 33 -7.500 1.014 4.984 282 HD1 TRP 33 HD1 TRP 33 -5.792 2.474 6.471 283 HE1 TRP 33 HE1 TRP 33 -4.099 1.894 8.273 284 HE3 TRP 33 HE3 TRP 33 -7.435 -2.232 7.571 285 HZ2 TRP 33 HZ2 TRP 33 -3.405 -0.451 9.878 286 HZ3 TRP 33 HZ3 TRP 33 -6.224 -3.646 9.194 287 HH2 TRP 33 HH2 TRP 33 -4.176 -2.795 10.309 288 H TYR 34 H TYR 34 -8.219 2.387 8.140 289 HA TYR 34 HA TYR 34 -9.328 4.731 6.721 290 HB2 TYR 34 HB2 TYR 34 -10.787 3.951 8.688 291 HB3 TYR 34 HB3 TYR 34 -9.488 4.499 9.734 292 HD1 TYR 34 HD1 TYR 34 -8.593 7.040 9.019 293 HD2 TYR 34 HD2 TYR 34 -12.546 5.412 8.368 294 HE1 TYR 34 HE1 TYR 34 -9.460 9.302 8.883 295 HE2 TYR 34 HE2 TYR 34 -13.467 7.697 8.258 296 HH TYR 34 HH TYR 34 -11.503 10.633 8.794 297 H TYR 35 H TYR 35 -7.440 5.499 6.010 298 HA TYR 35 HA TYR 35 -4.925 5.291 7.527 299 HB2 TYR 35 HB2 TYR 35 -5.642 6.557 4.854 300 HB3 TYR 35 HB3 TYR 35 -4.036 6.600 5.575 301 HD1 TYR 35 HD1 TYR 35 -2.779 4.495 6.013 302 HD2 TYR 35 HD2 TYR 35 -6.469 4.485 3.783 303 HE1 TYR 35 HE1 TYR 35 -2.326 2.185 5.287 304 HE2 TYR 35 HE2 TYR 35 -5.996 2.180 3.012 305 HH TYR 35 HH TYR 35 -4.366 0.083 4.192 306 H ASP 36 H ASP 36 -4.363 6.825 8.994 307 HA ASP 36 HA ASP 36 -5.906 9.380 9.009 308 HB2 ASP 36 HB2 ASP 36 -6.490 9.207 11.119 309 HB3 ASP 36 HB3 ASP 36 -6.685 7.534 10.640 310 H THR 37 H THR 37 -2.895 8.176 8.644 311 HA THR 37 HA THR 37 -1.734 10.791 8.966 312 HB THR 37 HB THR 37 0.398 9.677 9.925 313 HG1 THR 37 HG1 THR 37 -0.392 7.589 10.099 314 HG21 THR 37 HG21 THR 37 -1.139 11.495 10.901 315 HG22 THR 37 HG22 THR 37 -0.121 10.575 12.028 316 HG23 THR 37 HG23 THR 37 -1.850 10.206 11.881 317 H ASN 38 H ASN 38 0.701 10.459 7.942 318 HA ASN 38 HA ASN 38 0.005 9.774 5.137 319 HB2 ASN 38 HB2 ASN 38 2.682 10.515 6.339 320 HB3 ASN 38 HB3 ASN 38 2.234 10.529 4.642 321 HD21 ASN 38 HD21 ASN 38 2.458 12.355 7.517 322 HD22 ASN 38 HD22 ASN 38 1.702 13.827 6.929 323 H GLU 39 H GLU 39 0.567 7.819 4.199 324 HA GLU 39 HA GLU 39 2.375 6.052 5.747 325 HB2 GLU 39 HB2 GLU 39 -0.018 5.661 6.412 326 HB3 GLU 39 HB3 GLU 39 -0.339 5.092 4.771 327 HG2 GLU 39 HG2 GLU 39 1.427 3.370 5.015 328 HG3 GLU 39 HG3 GLU 39 1.848 3.988 6.615 329 H THR 40 H THR 40 3.967 5.845 4.359 330 HA THR 40 HA THR 40 3.401 5.400 1.505 331 HB THR 40 HB THR 40 6.006 5.787 3.025 332 HG1 THR 40 HG1 THR 40 6.011 7.709 1.846 333 HG21 THR 40 HG21 THR 40 6.364 4.263 1.068 334 HG22 THR 40 HG22 THR 40 7.091 5.846 0.808 335 HG23 THR 40 HG23 THR 40 5.553 5.436 0.013 336 H CYS 41 H CYS 41 3.657 3.265 0.626 337 HA CYS 41 HA CYS 41 5.261 1.455 2.177 338 HB2 CYS 41 HB2 CYS 41 3.807 -0.375 2.313 339 HB3 CYS 41 HB3 CYS 41 2.928 0.976 3.039 340 HG CYS 41 HG CYS 41 1.444 1.502 1.077 341 H TYR 42 H TYR 42 5.826 -0.443 1.041 342 HA TYR 42 HA TYR 42 5.699 -0.232 -1.914 343 HB2 TYR 42 HB2 TYR 42 7.902 0.459 -0.923 344 HB3 TYR 42 HB3 TYR 42 8.048 -1.110 -0.185 345 HD1 TYR 42 HD1 TYR 42 7.377 0.529 -3.499 346 HD2 TYR 42 HD2 TYR 42 9.145 -2.788 -1.421 347 HE1 TYR 42 HE1 TYR 42 8.195 -0.344 -5.681 348 HE2 TYR 42 HE2 TYR 42 9.937 -3.721 -3.641 349 HH TYR 42 HH TYR 42 9.568 -3.603 -5.976 350 H ILE 43 H ILE 43 4.681 -1.888 -2.708 351 HA ILE 43 HA ILE 43 3.843 -4.251 -1.217 352 HB ILE 43 HB ILE 43 3.359 -3.445 -4.131 353 HG12 ILE 43 HG12 ILE 43 2.488 -1.618 -2.754 354 HG13 ILE 43 HG13 ILE 43 1.232 -2.512 -3.555 355 HG21 ILE 43 HG21 ILE 43 2.944 -5.809 -3.634 356 HG22 ILE 43 HG22 ILE 43 1.937 -5.373 -2.245 357 HG23 ILE 43 HG23 ILE 43 1.423 -4.961 -3.917 358 HD11 ILE 43 HD11 ILE 43 0.600 -3.623 -1.453 359 HD12 ILE 43 HD12 ILE 43 1.970 -2.845 -0.619 360 HD13 ILE 43 HD13 ILE 43 0.635 -1.863 -1.238 361 H LEU 44 H LEU 44 5.256 -5.931 -1.137 362 HA LEU 44 HA LEU 44 7.409 -6.108 -3.179 363 HB2 LEU 44 HB2 LEU 44 6.943 -7.411 -0.468 364 HB3 LEU 44 HB3 LEU 44 8.257 -7.906 -1.545 365 HG LEU 44 HG LEU 44 7.905 -4.980 -0.771 366 HD11 LEU 44 HD11 LEU 44 8.035 -6.256 1.310 367 HD12 LEU 44 HD12 LEU 44 9.498 -5.281 0.990 368 HD13 LEU 44 HD13 LEU 44 9.521 -7.043 0.744 369 HD21 LEU 44 HD21 LEU 44 10.358 -6.592 -1.582 370 HD22 LEU 44 HD22 LEU 44 10.283 -4.841 -1.284 371 HD23 LEU 44 HD23 LEU 44 9.426 -5.576 -2.671 372 H GLU 45 H GLU 45 4.596 -7.953 -1.923 373 HA GLU 45 HA GLU 45 4.435 -9.407 -4.384 374 HB2 GLU 45 HB2 GLU 45 4.726 -11.629 -3.459 375 HB3 GLU 45 HB3 GLU 45 6.216 -10.737 -3.251 376 HG2 GLU 45 HG2 GLU 45 5.707 -10.321 -0.888 377 HG3 GLU 45 HG3 GLU 45 4.144 -11.133 -1.037 378 H GLY 46 H GLY 46 2.453 -10.829 -4.311 379 HA2 GLY 46 HA2 GLY 46 0.369 -11.499 -3.402 380 HA3 GLY 46 HA3 GLY 46 0.528 -10.353 -2.113 381 H LYS 47 H LYS 47 -1.851 -9.984 -2.967 382 HA LYS 47 HA LYS 47 -1.699 -7.662 -4.713 383 HB2 LYS 47 HB2 LYS 47 -2.455 -10.205 -5.824 384 HB3 LYS 47 HB3 LYS 47 -3.920 -9.249 -5.669 385 HG2 LYS 47 HG2 LYS 47 -1.342 -8.296 -7.026 386 HG3 LYS 47 HG3 LYS 47 -2.714 -8.995 -7.862 387 HD2 LYS 47 HD2 LYS 47 -2.819 -6.414 -6.266 388 HD3 LYS 47 HD3 LYS 47 -2.540 -6.502 -7.996 389 HE2 LYS 47 HE2 LYS 47 -5.011 -7.713 -6.688 390 HE3 LYS 47 HE3 LYS 47 -4.936 -6.035 -7.221 391 HZ1 LYS 47 HZ1 LYS 47 -4.724 -8.421 -8.965 392 HZ2 LYS 47 HZ2 LYS 47 -4.374 -6.904 -9.468 393 HZ3 LYS 47 HZ3 LYS 47 -5.878 -7.268 -8.964 394 H VAL 48 H VAL 48 -3.384 -6.277 -4.465 395 HA VAL 48 HA VAL 48 -5.557 -6.942 -2.592 396 HB VAL 48 HB VAL 48 -3.537 -4.665 -2.449 397 HG11 VAL 48 HG11 VAL 48 -5.715 -3.675 -1.911 398 HG12 VAL 48 HG12 VAL 48 -6.034 -4.962 -0.718 399 HG13 VAL 48 HG13 VAL 48 -4.716 -3.793 -0.491 400 HG21 VAL 48 HG21 VAL 48 -2.779 -6.769 -1.374 401 HG22 VAL 48 HG22 VAL 48 -3.049 -5.490 -0.218 402 HG23 VAL 48 HG23 VAL 48 -4.249 -6.792 -0.374 403 H GLU 49 H GLU 49 -7.376 -5.493 -2.881 404 HA GLU 49 HA GLU 49 -7.096 -3.472 -5.013 405 HB2 GLU 49 HB2 GLU 49 -9.179 -5.613 -4.934 406 HB3 GLU 49 HB3 GLU 49 -9.791 -3.963 -5.085 407 HG2 GLU 49 HG2 GLU 49 -8.224 -3.527 -6.963 408 HG3 GLU 49 HG3 GLU 49 -7.691 -5.211 -6.891 409 H VAL 50 H VAL 50 -7.487 -1.573 -4.268 410 HA VAL 50 HA VAL 50 -9.291 -1.061 -2.170 411 HB VAL 50 HB VAL 50 -7.808 1.066 -2.298 412 HG11 VAL 50 HG11 VAL 50 -8.945 0.465 -0.450 413 HG12 VAL 50 HG12 VAL 50 -7.898 -0.958 -0.175 414 HG13 VAL 50 HG13 VAL 50 -7.244 0.703 -0.007 415 HG21 VAL 50 HG21 VAL 50 -5.744 -0.738 -1.628 416 HG22 VAL 50 HG22 VAL 50 -5.920 -0.183 -3.322 417 HG23 VAL 50 HG23 VAL 50 -5.705 1.001 -1.967 418 H THR 51 H THR 51 -11.029 -1.128 -3.142 419 HA THR 51 HA THR 51 -11.729 0.974 -5.080 420 HB THR 51 HB THR 51 -13.530 -0.804 -3.426 421 HG1 THR 51 HG1 THR 51 -13.766 -1.965 -5.266 422 HG21 THR 51 HG21 THR 51 -15.116 -0.014 -5.427 423 HG22 THR 51 HG22 THR 51 -13.928 1.274 -5.609 424 HG23 THR 51 HG23 THR 51 -14.822 1.096 -4.092 425 H THR 52 H THR 52 -11.942 3.089 -4.465 426 HA THR 52 HA THR 52 -12.174 3.823 -1.651 427 HB THR 52 HB THR 52 -12.010 6.099 -2.564 428 HG1 THR 52 HG1 THR 52 -11.689 6.314 -4.816 429 HG21 THR 52 HG21 THR 52 -9.935 4.293 -3.872 430 HG22 THR 52 HG22 THR 52 -9.952 4.723 -2.137 431 HG23 THR 52 HG23 THR 52 -9.781 5.984 -3.350 432 H GLU 53 H GLU 53 -13.769 5.978 -1.517 433 HA GLU 53 HA GLU 53 -16.436 5.013 -1.638 434 HB2 GLU 53 HB2 GLU 53 -15.467 6.804 -0.098 435 HB3 GLU 53 HB3 GLU 53 -15.493 7.895 -1.482 436 HG2 GLU 53 HG2 GLU 53 -18.004 7.279 -1.690 437 HG3 GLU 53 HG3 GLU 53 -17.856 6.552 -0.094 438 H ASP 54 H ASP 54 -14.418 7.050 -3.835 439 HA ASP 54 HA ASP 54 -16.446 7.774 -5.696 440 HB2 ASP 54 HB2 ASP 54 -14.116 8.729 -5.523 441 HB3 ASP 54 HB3 ASP 54 -13.496 7.271 -6.319 442 H GLY 55 H GLY 55 -14.712 4.764 -5.259 443 HA2 GLY 55 HA2 GLY 55 -15.705 2.723 -6.007 444 HA3 GLY 55 HA3 GLY 55 -16.365 3.534 -7.414 445 H LYS 56 H LYS 56 -13.427 4.823 -7.510 446 HA LYS 56 HA LYS 56 -12.391 3.075 -9.528 447 HB2 LYS 56 HB2 LYS 56 -10.962 5.192 -7.822 448 HB3 LYS 56 HB3 LYS 56 -10.256 4.341 -9.211 449 HG2 LYS 56 HG2 LYS 56 -12.402 5.143 -10.490 450 HG3 LYS 56 HG3 LYS 56 -12.471 6.333 -9.185 451 HD2 LYS 56 HD2 LYS 56 -10.852 7.575 -10.120 452 HD3 LYS 56 HD3 LYS 56 -9.764 6.212 -10.296 453 HE2 LYS 56 HE2 LYS 56 -12.066 6.829 -12.196 454 HE3 LYS 56 HE3 LYS 56 -10.389 7.297 -12.470 455 HZ1 LYS 56 HZ1 LYS 56 -9.763 4.994 -12.460 456 HZ2 LYS 56 HZ2 LYS 56 -10.895 5.286 -13.618 457 HZ3 LYS 56 HZ3 LYS 56 -11.348 4.516 -12.247 458 H LYS 57 H LYS 57 -11.161 1.303 -9.420 459 HA LYS 57 HA LYS 57 -10.512 0.233 -6.760 460 HB2 LYS 57 HB2 LYS 57 -10.044 -1.845 -8.047 461 HB3 LYS 57 HB3 LYS 57 -11.729 -1.337 -8.001 462 HG2 LYS 57 HG2 LYS 57 -10.236 -0.294 -10.355 463 HG3 LYS 57 HG3 LYS 57 -10.251 -2.050 -10.274 464 HD2 LYS 57 HD2 LYS 57 -12.795 -0.375 -10.017 465 HD3 LYS 57 HD3 LYS 57 -12.113 -0.857 -11.558 466 HE2 LYS 57 HE2 LYS 57 -12.032 -3.244 -10.171 467 HE3 LYS 57 HE3 LYS 57 -13.492 -2.517 -9.483 468 HZ1 LYS 57 HZ1 LYS 57 -14.450 -2.468 -11.642 469 HZ2 LYS 57 HZ2 LYS 57 -13.655 -3.930 -11.624 470 HZ3 LYS 57 HZ3 LYS 57 -13.008 -2.641 -12.396 471 H TYR 58 H TYR 58 -8.715 1.110 -6.074 472 HA TYR 58 HA TYR 58 -6.302 1.467 -7.635 473 HB2 TYR 58 HB2 TYR 58 -6.839 1.228 -4.673 474 HB3 TYR 58 HB3 TYR 58 -5.324 1.727 -5.375 475 HD1 TYR 58 HD1 TYR 58 -7.710 3.330 -7.475 476 HD2 TYR 58 HD2 TYR 58 -6.318 3.346 -3.384 477 HE1 TYR 58 HE1 TYR 58 -8.383 5.665 -7.276 478 HE2 TYR 58 HE2 TYR 58 -7.118 5.697 -3.154 479 HH TYR 58 HH TYR 58 -8.172 7.615 -5.940 480 H VAL 59 H VAL 59 -5.646 -0.311 -8.676 481 HA VAL 59 HA VAL 59 -5.400 -2.904 -7.276 482 HB VAL 59 HB VAL 59 -4.469 -2.127 -10.084 483 HG11 VAL 59 HG11 VAL 59 -4.411 -4.509 -10.469 484 HG12 VAL 59 HG12 VAL 59 -3.452 -4.172 -9.025 485 HG13 VAL 59 HG13 VAL 59 -5.106 -4.821 -8.853 486 HG21 VAL 59 HG21 VAL 59 -7.125 -3.383 -9.243 487 HG22 VAL 59 HG22 VAL 59 -6.907 -1.842 -10.097 488 HG23 VAL 59 HG23 VAL 59 -6.501 -3.356 -10.904 489 H ILE 60 H ILE 60 -3.375 -3.437 -6.483 490 HA ILE 60 HA ILE 60 -1.051 -1.737 -7.014 491 HB ILE 60 HB ILE 60 -0.603 -1.830 -4.490 492 HG12 ILE 60 HG12 ILE 60 -3.658 -2.002 -4.346 493 HG13 ILE 60 HG13 ILE 60 -2.543 -3.269 -3.847 494 HG21 ILE 60 HG21 ILE 60 -1.542 0.367 -4.156 495 HG22 ILE 60 HG22 ILE 60 -0.988 0.215 -5.822 496 HG23 ILE 60 HG23 ILE 60 -2.729 0.107 -5.453 497 HD11 ILE 60 HD11 ILE 60 -1.618 -1.708 -2.106 498 HD12 ILE 60 HD12 ILE 60 -2.899 -0.547 -2.543 499 HD13 ILE 60 HD13 ILE 60 -3.331 -2.124 -1.889 500 H GLU 61 H GLU 61 -0.281 -3.296 -8.174 501 HA GLU 61 HA GLU 61 0.223 -5.993 -7.078 502 HB2 GLU 61 HB2 GLU 61 1.250 -6.370 -9.327 503 HB3 GLU 61 HB3 GLU 61 -0.466 -6.055 -9.320 504 HG2 GLU 61 HG2 GLU 61 1.201 -3.608 -9.678 505 HG3 GLU 61 HG3 GLU 61 1.364 -4.800 -10.947 506 H LYS 62 H LYS 62 2.509 -6.814 -7.476 507 HA LYS 62 HA LYS 62 4.218 -5.479 -5.679 508 HB2 LYS 62 HB2 LYS 62 5.832 -7.180 -6.120 509 HB3 LYS 62 HB3 LYS 62 4.205 -7.881 -6.009 510 HG2 LYS 62 HG2 LYS 62 4.397 -7.393 -8.667 511 HG3 LYS 62 HG3 LYS 62 6.096 -7.701 -8.320 512 HD2 LYS 62 HD2 LYS 62 5.473 -9.866 -7.243 513 HD3 LYS 62 HD3 LYS 62 3.787 -9.607 -7.693 514 HE2 LYS 62 HE2 LYS 62 6.140 -9.880 -9.631 515 HE3 LYS 62 HE3 LYS 62 4.999 -11.163 -9.204 516 HZ1 LYS 62 HZ1 LYS 62 3.243 -9.535 -10.142 517 HZ2 LYS 62 HZ2 LYS 62 4.188 -10.393 -11.146 518 HZ3 LYS 62 HZ3 LYS 62 4.534 -8.818 -10.900 519 H GLY 63 H GLY 63 5.197 -3.789 -5.944 520 HA2 GLY 63 HA2 GLY 63 7.169 -2.598 -6.958 521 HA3 GLY 63 HA3 GLY 63 6.444 -2.887 -8.541 522 H ASP 64 H ASP 64 3.666 -2.192 -7.199 523 HA ASP 64 HA ASP 64 3.739 0.627 -7.984 524 HB2 ASP 64 HB2 ASP 64 1.616 -1.264 -6.904 525 HB3 ASP 64 HB3 ASP 64 1.333 0.450 -7.046 526 H LEU 65 H LEU 65 4.744 2.024 -6.554 527 HA LEU 65 HA LEU 65 4.782 1.544 -3.646 528 HB2 LEU 65 HB2 LEU 65 6.737 2.511 -4.758 529 HB3 LEU 65 HB3 LEU 65 5.747 3.814 -5.408 530 HG LEU 65 HG LEU 65 5.273 4.396 -2.861 531 HD11 LEU 65 HD11 LEU 65 6.490 2.263 -2.057 532 HD12 LEU 65 HD12 LEU 65 6.961 3.770 -1.276 533 HD13 LEU 65 HD13 LEU 65 7.989 3.063 -2.531 534 HD21 LEU 65 HD21 LEU 65 6.550 5.742 -4.529 535 HD22 LEU 65 HD22 LEU 65 8.033 4.933 -3.976 536 HD23 LEU 65 HD23 LEU 65 7.086 5.921 -2.850 537 H VAL 66 H VAL 66 3.578 2.809 -2.176 538 HA VAL 66 HA VAL 66 1.273 4.344 -3.260 539 HB VAL 66 HB VAL 66 1.302 2.320 -0.952 540 HG11 VAL 66 HG11 VAL 66 -0.580 3.957 -0.915 541 HG12 VAL 66 HG12 VAL 66 -1.093 3.310 -2.497 542 HG13 VAL 66 HG13 VAL 66 -1.059 2.260 -1.075 543 HG21 VAL 66 HG21 VAL 66 0.509 1.839 -3.863 544 HG22 VAL 66 HG22 VAL 66 1.743 0.984 -2.923 545 HG23 VAL 66 HG23 VAL 66 0.063 0.758 -2.500 546 H THR 67 H THR 67 0.823 6.259 -2.136 547 HA THR 67 HA THR 67 1.771 6.485 0.629 548 HB THR 67 HB THR 67 1.922 8.669 -1.476 549 HG1 THR 67 HG1 THR 67 3.967 7.531 0.150 550 HG21 THR 67 HG21 THR 67 2.438 8.734 1.558 551 HG22 THR 67 HG22 THR 67 1.150 9.589 0.711 552 HG23 THR 67 HG23 THR 67 2.834 10.058 0.436 553 H PHE 68 H PHE 68 -0.197 6.109 1.538 554 HA PHE 68 HA PHE 68 -2.671 7.339 0.511 555 HB2 PHE 68 HB2 PHE 68 -2.116 5.967 3.171 556 HB3 PHE 68 HB3 PHE 68 -3.680 6.511 2.603 557 HD1 PHE 68 HD1 PHE 68 -4.643 5.436 0.407 558 HD2 PHE 68 HD2 PHE 68 -1.441 3.770 2.737 559 HE1 PHE 68 HE1 PHE 68 -5.024 3.244 -0.658 560 HE2 PHE 68 HE2 PHE 68 -1.702 1.596 1.546 561 HZ PHE 68 HZ PHE 68 -3.546 1.313 -0.115 562 HA PRO 69 HA PRO 69 -1.598 11.023 2.836 563 HB2 PRO 69 HB2 PRO 69 -3.859 12.462 2.771 564 HB3 PRO 69 HB3 PRO 69 -3.090 11.986 1.222 565 HG2 PRO 69 HG2 PRO 69 -5.336 10.539 2.696 566 HG3 PRO 69 HG3 PRO 69 -5.312 11.144 1.021 567 HD2 PRO 69 HD2 PRO 69 -4.626 8.545 1.687 568 HD3 PRO 69 HD3 PRO 69 -3.842 9.405 0.325 569 H LYS 70 H LYS 70 -2.634 12.355 4.533 570 HA LYS 70 HA LYS 70 -3.255 10.750 6.944 571 HB2 LYS 70 HB2 LYS 70 -1.513 12.454 7.106 572 HB3 LYS 70 HB3 LYS 70 -2.590 13.703 6.497 573 HG2 LYS 70 HG2 LYS 70 -3.930 13.654 8.524 574 HG3 LYS 70 HG3 LYS 70 -3.101 12.209 9.099 575 HD2 LYS 70 HD2 LYS 70 -0.948 13.428 9.198 576 HD3 LYS 70 HD3 LYS 70 -1.808 14.889 8.690 577 HE2 LYS 70 HE2 LYS 70 -3.377 14.429 10.712 578 HE3 LYS 70 HE3 LYS 70 -2.177 13.265 11.246 579 HZ1 LYS 70 HZ1 LYS 70 -1.690 16.155 10.806 580 HZ2 LYS 70 HZ2 LYS 70 -0.542 15.087 11.290 581 HZ3 LYS 70 HZ3 LYS 70 -1.814 15.438 12.253 582 H GLY 71 H GLY 71 -5.311 10.001 6.326 583 HA2 GLY 71 HA2 GLY 71 -7.582 10.472 7.108 584 HA3 GLY 71 HA3 GLY 71 -7.461 12.063 6.363 585 H LEU 72 H LEU 72 -7.842 8.622 5.761 586 HA LEU 72 HA LEU 72 -9.424 9.225 3.393 587 HB2 LEU 72 HB2 LEU 72 -7.231 8.868 2.353 588 HB3 LEU 72 HB3 LEU 72 -6.991 7.402 3.305 589 HG LEU 72 HG LEU 72 -8.955 6.337 2.095 590 HD11 LEU 72 HD11 LEU 72 -10.103 8.406 1.329 591 HD12 LEU 72 HD12 LEU 72 -9.677 7.364 -0.025 592 HD13 LEU 72 HD13 LEU 72 -8.701 8.809 0.312 593 HD21 LEU 72 HD21 LEU 72 -6.707 5.815 1.497 594 HD22 LEU 72 HD22 LEU 72 -6.577 7.307 0.532 595 HD23 LEU 72 HD23 LEU 72 -7.666 5.990 0.016 596 H ARG 73 H ARG 73 -11.089 7.728 3.218 597 HA ARG 73 HA ARG 73 -11.022 5.204 4.809 598 HB2 ARG 73 HB2 ARG 73 -12.723 6.395 5.830 599 HB3 ARG 73 HB3 ARG 73 -13.182 7.277 4.375 600 HG2 ARG 73 HG2 ARG 73 -14.449 5.512 3.509 601 HG3 ARG 73 HG3 ARG 73 -13.690 4.308 4.536 602 HD2 ARG 73 HD2 ARG 73 -14.775 5.229 6.530 603 HD3 ARG 73 HD3 ARG 73 -15.474 6.536 5.563 604 HE ARG 73 HE ARG 73 -16.146 3.854 4.639 605 HH11 ARG 73 HH11 ARG 73 -17.133 6.497 6.821 606 HH12 ARG 73 HH12 ARG 73 -18.796 5.992 6.855 607 HH21 ARG 73 HH21 ARG 73 -18.375 3.165 4.830 608 HH22 ARG 73 HH22 ARG 73 -19.472 4.109 5.823 609 H CYS 74 H CYS 74 -11.234 3.363 3.599 610 HA CYS 74 HA CYS 74 -12.792 3.264 1.194 611 HB2 CYS 74 HB2 CYS 74 -10.984 2.295 -0.196 612 HB3 CYS 74 HB3 CYS 74 -10.792 4.047 0.095 613 HG CYS 74 HG CYS 74 -9.308 1.536 1.660 614 H ARG 75 H ARG 75 -12.496 0.791 0.370 615 HA ARG 75 HA ARG 75 -12.314 -0.979 2.686 616 HB2 ARG 75 HB2 ARG 75 -13.448 -1.168 -0.017 617 HB3 ARG 75 HB3 ARG 75 -12.320 -2.469 0.172 618 HG2 ARG 75 HG2 ARG 75 -13.744 -3.632 1.406 619 HG3 ARG 75 HG3 ARG 75 -13.817 -2.393 2.646 620 HD2 ARG 75 HD2 ARG 75 -15.540 -2.609 0.194 621 HD3 ARG 75 HD3 ARG 75 -16.040 -2.811 1.878 622 HE ARG 75 HE ARG 75 -15.011 -0.201 0.739 623 HH11 ARG 75 HH11 ARG 75 -17.298 -1.751 2.948 624 HH12 ARG 75 HH12 ARG 75 -18.499 -0.505 2.799 625 HH21 ARG 75 HH21 ARG 75 -16.524 1.407 0.501 626 HH22 ARG 75 HH22 ARG 75 -18.049 1.334 1.328 627 H TRP 76 H TRP 76 -11.060 -3.226 2.143 628 HA TRP 76 HA TRP 76 -8.619 -2.843 0.622 629 HB2 TRP 76 HB2 TRP 76 -8.547 -2.654 3.561 630 HB3 TRP 76 HB3 TRP 76 -7.701 -4.087 3.008 631 HD1 TRP 76 HD1 TRP 76 -7.713 -0.323 2.240 632 HE1 TRP 76 HE1 TRP 76 -5.329 0.426 1.627 633 HE3 TRP 76 HE3 TRP 76 -5.278 -4.799 2.695 634 HZ2 TRP 76 HZ2 TRP 76 -2.832 -0.827 0.952 635 HZ3 TRP 76 HZ3 TRP 76 -2.884 -4.965 2.114 636 HH2 TRP 76 HH2 TRP 76 -1.669 -3.014 1.146 637 H LYS 77 H LYS 77 -9.071 -4.614 -0.696 638 HA LYS 77 HA LYS 77 -10.051 -7.130 0.602 639 HB2 LYS 77 HB2 LYS 77 -11.570 -6.328 -1.100 640 HB3 LYS 77 HB3 LYS 77 -10.253 -6.215 -2.293 641 HG2 LYS 77 HG2 LYS 77 -9.913 -8.610 -2.281 642 HG3 LYS 77 HG3 LYS 77 -10.937 -8.827 -0.880 643 HD2 LYS 77 HD2 LYS 77 -12.809 -7.753 -2.391 644 HD3 LYS 77 HD3 LYS 77 -11.744 -8.248 -3.701 645 HE2 LYS 77 HE2 LYS 77 -11.792 -10.589 -2.901 646 HE3 LYS 77 HE3 LYS 77 -12.766 -10.086 -1.508 647 HZ1 LYS 77 HZ1 LYS 77 -13.612 -9.881 -4.321 648 HZ2 LYS 77 HZ2 LYS 77 -14.478 -9.380 -3.020 649 HZ3 LYS 77 HZ3 LYS 77 -14.150 -11.002 -3.211 650 H VAL 78 H VAL 78 -8.439 -8.599 0.955 651 HA VAL 78 HA VAL 78 -5.907 -8.352 -0.532 652 HB VAL 78 HB VAL 78 -6.630 -10.373 1.643 653 HG11 VAL 78 HG11 VAL 78 -4.045 -9.207 0.579 654 HG12 VAL 78 HG12 VAL 78 -4.151 -10.200 2.060 655 HG13 VAL 78 HG13 VAL 78 -4.635 -10.876 0.507 656 HG21 VAL 78 HG21 VAL 78 -5.693 -7.500 2.029 657 HG22 VAL 78 HG22 VAL 78 -7.139 -8.244 2.708 658 HG23 VAL 78 HG23 VAL 78 -5.589 -8.792 3.288 659 H LEU 79 H LEU 79 -5.961 -9.189 -2.439 660 HA LEU 79 HA LEU 79 -7.868 -11.335 -3.158 661 HB2 LEU 79 HB2 LEU 79 -5.856 -9.788 -4.832 662 HB3 LEU 79 HB3 LEU 79 -7.023 -10.944 -5.440 663 HG LEU 79 HG LEU 79 -7.841 -8.376 -4.026 664 HD11 LEU 79 HD11 LEU 79 -7.574 -8.960 -6.984 665 HD12 LEU 79 HD12 LEU 79 -6.837 -7.655 -6.011 666 HD13 LEU 79 HD13 LEU 79 -8.565 -7.648 -6.325 667 HD21 LEU 79 HD21 LEU 79 -10.061 -8.895 -5.040 668 HD22 LEU 79 HD22 LEU 79 -9.571 -10.129 -3.876 669 HD23 LEU 79 HD23 LEU 79 -9.425 -10.447 -5.622 670 H GLU 80 H GLU 80 -4.504 -10.851 -2.268 671 HA GLU 80 HA GLU 80 -4.161 -13.681 -1.944 672 HB2 GLU 80 HB2 GLU 80 -2.755 -12.128 -4.128 673 HB3 GLU 80 HB3 GLU 80 -1.746 -13.194 -3.173 674 HG2 GLU 80 HG2 GLU 80 -4.181 -14.104 -4.753 675 HG3 GLU 80 HG3 GLU 80 -2.519 -14.238 -5.224 676 HA PRO 81 HA PRO 81 -2.319 -12.064 1.564 677 HB2 PRO 81 HB2 PRO 81 -0.260 -13.761 2.250 678 HB3 PRO 81 HB3 PRO 81 -1.997 -14.174 2.374 679 HG2 PRO 81 HG2 PRO 81 -0.038 -14.876 0.183 680 HG3 PRO 81 HG3 PRO 81 -1.258 -15.927 0.967 681 HD2 PRO 81 HD2 PRO 81 -1.671 -14.717 -1.442 682 HD3 PRO 81 HD3 PRO 81 -3.008 -14.984 -0.289 683 H VAL 82 H VAL 82 -1.534 -10.072 1.158 684 HA VAL 82 HA VAL 82 0.886 -9.675 -0.367 685 HB VAL 82 HB VAL 82 -1.061 -8.279 -0.728 686 HG11 VAL 82 HG11 VAL 82 -2.267 -8.026 1.207 687 HG12 VAL 82 HG12 VAL 82 -0.865 -7.668 2.216 688 HG13 VAL 82 HG13 VAL 82 -1.468 -6.442 1.127 689 HG21 VAL 82 HG21 VAL 82 1.046 -7.235 -1.237 690 HG22 VAL 82 HG22 VAL 82 -0.086 -6.039 -0.637 691 HG23 VAL 82 HG23 VAL 82 1.208 -6.613 0.426 692 H ARG 83 H ARG 83 2.782 -8.823 0.196 693 HA ARG 83 HA ARG 83 3.254 -8.201 3.075 694 HB2 ARG 83 HB2 ARG 83 4.979 -9.750 1.137 695 HB3 ARG 83 HB3 ARG 83 5.749 -8.675 2.286 696 HG2 ARG 83 HG2 ARG 83 4.785 -9.757 4.164 697 HG3 ARG 83 HG3 ARG 83 3.702 -10.737 3.199 698 HD2 ARG 83 HD2 ARG 83 6.508 -11.104 2.399 699 HD3 ARG 83 HD3 ARG 83 6.348 -11.285 4.141 700 HE ARG 83 HE ARG 83 4.227 -12.718 3.202 701 HH11 ARG 83 HH11 ARG 83 7.688 -12.992 2.347 702 HH12 ARG 83 HH12 ARG 83 7.607 -14.717 2.233 703 HH21 ARG 83 HH21 ARG 83 4.157 -14.942 2.914 704 HH22 ARG 83 HH22 ARG 83 5.587 -15.809 2.467 705 H LYS 84 H LYS 84 3.976 -6.178 3.387 706 HA LYS 84 HA LYS 84 5.049 -4.693 1.128 707 HB2 LYS 84 HB2 LYS 84 3.594 -2.969 1.040 708 HB3 LYS 84 HB3 LYS 84 2.432 -4.220 1.497 709 HG2 LYS 84 HG2 LYS 84 3.749 -2.182 3.359 710 HG3 LYS 84 HG3 LYS 84 2.158 -2.048 2.663 711 HD2 LYS 84 HD2 LYS 84 2.342 -4.527 4.147 712 HD3 LYS 84 HD3 LYS 84 2.943 -3.224 5.139 713 HE2 LYS 84 HE2 LYS 84 0.618 -3.278 5.570 714 HE3 LYS 84 HE3 LYS 84 0.901 -1.866 4.568 715 HZ1 LYS 84 HZ1 LYS 84 0.195 -3.182 2.657 716 HZ2 LYS 84 HZ2 LYS 84 -0.975 -3.029 3.799 717 HZ3 LYS 84 HZ3 LYS 84 -0.131 -4.469 3.644 718 H HIS 85 H HIS 85 6.466 -3.016 1.854 719 HA HIS 85 HA HIS 85 7.125 -3.092 4.790 720 HB2 HIS 85 HB2 HIS 85 8.702 -2.518 2.274 721 HB3 HIS 85 HB3 HIS 85 9.029 -1.544 3.689 722 HD1 HIS 85 HD1 HIS 85 10.181 -4.829 2.430 723 HD2 HIS 85 HD2 HIS 85 9.461 -2.906 6.093 724 HE1 HIS 85 HE1 HIS 85 11.444 -6.169 4.218 725 H TYR 86 H TYR 86 6.039 -1.418 5.896 726 HA TYR 86 HA TYR 86 5.046 0.899 4.291 727 HB2 TYR 86 HB2 TYR 86 3.185 1.111 5.698 728 HB3 TYR 86 HB3 TYR 86 3.234 -0.572 5.204 729 HD1 TYR 86 HD1 TYR 86 4.514 -2.200 7.034 730 HD2 TYR 86 HD2 TYR 86 2.637 1.611 7.884 731 HE1 TYR 86 HE1 TYR 86 4.222 -2.856 9.389 732 HE2 TYR 86 HE2 TYR 86 2.338 0.935 10.238 733 HH TYR 86 HH TYR 86 2.716 -0.705 11.852 734 H ASN 87 H ASN 87 4.842 2.990 5.587 735 HA ASN 87 HA ASN 87 6.174 2.985 8.152 736 HB2 ASN 87 HB2 ASN 87 8.028 3.494 6.416 737 HB3 ASN 87 HB3 ASN 87 7.191 5.014 6.118 738 HD21 ASN 87 HD21 ASN 87 8.222 6.662 7.305 739 HD22 ASN 87 HD22 ASN 87 8.715 6.460 8.987 740 H LEU 88 H LEU 88 5.133 4.336 9.479 741 HA LEU 88 HA LEU 88 2.936 6.065 8.554 742 HB2 LEU 88 HB2 LEU 88 4.005 5.517 11.363 743 HB3 LEU 88 HB3 LEU 88 2.443 6.221 10.964 744 HG LEU 88 HG LEU 88 3.235 3.336 10.278 745 HD11 LEU 88 HD11 LEU 88 1.836 2.733 12.248 746 HD12 LEU 88 HD12 LEU 88 1.700 4.445 12.672 747 HD13 LEU 88 HD13 LEU 88 3.284 3.640 12.707 748 HD21 LEU 88 HD21 LEU 88 0.851 2.965 10.022 749 HD22 LEU 88 HD22 LEU 88 1.373 4.230 8.917 750 HD23 LEU 88 HD23 LEU 88 0.491 4.642 10.429 751 H PHE 89 H PHE 89 3.050 8.403 8.627 752 HA PHE 89 HA PHE 89 4.898 9.823 10.225 753 HB2 PHE 89 HB2 PHE 89 6.352 10.728 8.582 754 HB3 PHE 89 HB3 PHE 89 6.514 8.994 8.503 755 HD1 PHE 89 HD1 PHE 89 4.670 7.898 6.635 756 HD2 PHE 89 HD2 PHE 89 6.453 11.831 6.550 757 HE1 PHE 89 HE1 PHE 89 4.236 8.064 4.215 758 HE2 PHE 89 HE2 PHE 89 6.129 11.911 4.100 759 HZ PHE 89 HZ PHE 89 5.003 10.036 2.923 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -6.163 13.193 0.064 2 HA MET 1 HA MET 1 -5.930 14.955 -1.624 3 HB2 MET 1 HB2 MET 1 -2.985 14.461 -1.112 4 HB3 MET 1 HB3 MET 1 -3.612 15.345 -2.512 5 HG2 MET 1 HG2 MET 1 -4.625 17.020 -1.129 6 HG3 MET 1 HG3 MET 1 -4.239 16.147 0.356 7 HE1 MET 1 HE1 MET 1 -1.418 15.429 0.752 8 HE2 MET 1 HE2 MET 1 -0.688 16.990 1.188 9 HE3 MET 1 HE3 MET 1 -2.313 16.591 1.767 10 H GLU 2 H GLU 2 -7.127 12.714 -1.943 11 HA GLU 2 HA GLU 2 -7.400 10.685 -2.856 12 HB2 GLU 2 HB2 GLU 2 -7.122 12.286 -4.843 13 HB3 GLU 2 HB3 GLU 2 -5.545 11.533 -5.089 14 HG2 GLU 2 HG2 GLU 2 -6.611 9.371 -5.518 15 HG3 GLU 2 HG3 GLU 2 -8.172 9.987 -4.959 16 H VAL 3 H VAL 3 -5.581 9.005 -4.324 17 HA VAL 3 HA VAL 3 -3.553 8.265 -2.302 18 HB VAL 3 HB VAL 3 -5.160 6.621 -4.328 19 HG11 VAL 3 HG11 VAL 3 -3.967 4.614 -3.275 20 HG12 VAL 3 HG12 VAL 3 -2.982 5.606 -4.329 21 HG13 VAL 3 HG13 VAL 3 -2.828 5.754 -2.557 22 HG21 VAL 3 HG21 VAL 3 -5.114 6.626 -1.295 23 HG22 VAL 3 HG22 VAL 3 -6.470 7.056 -2.362 24 HG23 VAL 3 HG23 VAL 3 -5.926 5.383 -2.275 25 H LYS 4 H LYS 4 -1.518 7.577 -3.360 26 HA LYS 4 HA LYS 4 -1.226 8.429 -6.186 27 HB2 LYS 4 HB2 LYS 4 -0.119 9.844 -4.105 28 HB3 LYS 4 HB3 LYS 4 1.135 8.630 -4.323 29 HG2 LYS 4 HG2 LYS 4 1.346 9.234 -6.708 30 HG3 LYS 4 HG3 LYS 4 -0.026 10.356 -6.554 31 HD2 LYS 4 HD2 LYS 4 1.265 11.619 -4.791 32 HD3 LYS 4 HD3 LYS 4 2.637 10.543 -5.081 33 HE2 LYS 4 HE2 LYS 4 2.971 12.601 -6.285 34 HE3 LYS 4 HE3 LYS 4 2.721 11.297 -7.455 35 HZ1 LYS 4 HZ1 LYS 4 0.501 13.038 -6.561 36 HZ2 LYS 4 HZ2 LYS 4 0.572 12.107 -7.905 37 HZ3 LYS 4 HZ3 LYS 4 1.471 13.459 -7.811 38 H ILE 5 H ILE 5 -0.074 6.909 -7.436 39 HA ILE 5 HA ILE 5 1.306 4.722 -6.059 40 HB ILE 5 HB ILE 5 -0.665 4.299 -8.356 41 HG12 ILE 5 HG12 ILE 5 -1.063 3.802 -5.387 42 HG13 ILE 5 HG13 ILE 5 -2.016 4.852 -6.443 43 HG21 ILE 5 HG21 ILE 5 0.882 2.348 -6.606 44 HG22 ILE 5 HG22 ILE 5 -0.272 1.895 -7.884 45 HG23 ILE 5 HG23 ILE 5 1.207 2.706 -8.311 46 HD11 ILE 5 HD11 ILE 5 -3.327 2.935 -6.052 47 HD12 ILE 5 HD12 ILE 5 -2.705 2.772 -7.718 48 HD13 ILE 5 HD13 ILE 5 -1.989 1.837 -6.386 49 H GLU 6 H GLU 6 3.099 4.037 -7.312 50 HA GLU 6 HA GLU 6 3.164 4.514 -10.097 51 HB2 GLU 6 HB2 GLU 6 5.276 5.638 -10.267 52 HB3 GLU 6 HB3 GLU 6 4.050 6.694 -9.577 53 HG2 GLU 6 HG2 GLU 6 5.036 6.407 -7.347 54 HG3 GLU 6 HG3 GLU 6 6.164 5.213 -8.015 55 H LYS 7 H LYS 7 5.671 3.760 -10.796 56 HA LYS 7 HA LYS 7 6.400 1.468 -9.042 57 HB2 LYS 7 HB2 LYS 7 6.609 1.476 -12.062 58 HB3 LYS 7 HB3 LYS 7 7.108 0.211 -10.946 59 HG2 LYS 7 HG2 LYS 7 5.149 -0.575 -11.905 60 HG3 LYS 7 HG3 LYS 7 4.655 -0.050 -10.302 61 HD2 LYS 7 HD2 LYS 7 3.228 1.501 -11.123 62 HD3 LYS 7 HD3 LYS 7 4.391 2.099 -12.315 63 HE2 LYS 7 HE2 LYS 7 3.912 0.194 -13.795 64 HE3 LYS 7 HE3 LYS 7 2.694 -0.409 -12.657 65 HZ1 LYS 7 HZ1 LYS 7 1.403 1.506 -13.018 66 HZ2 LYS 7 HZ2 LYS 7 1.842 1.022 -14.532 67 HZ3 LYS 7 HZ3 LYS 7 2.580 2.314 -13.829 68 HA PRO 8 HA PRO 8 9.652 4.741 -9.479 69 HB2 PRO 8 HB2 PRO 8 10.673 4.334 -6.850 70 HB3 PRO 8 HB3 PRO 8 9.518 5.590 -7.373 71 HG2 PRO 8 HG2 PRO 8 8.986 3.269 -5.716 72 HG3 PRO 8 HG3 PRO 8 7.912 4.616 -6.163 73 HD2 PRO 8 HD2 PRO 8 8.019 1.896 -7.263 74 HD3 PRO 8 HD3 PRO 8 6.774 3.138 -7.447 75 H THR 9 H THR 9 12.121 4.559 -9.119 76 HA THR 9 HA THR 9 13.128 1.981 -9.832 77 HB THR 9 HB THR 9 14.475 3.835 -10.382 78 HG1 THR 9 HG1 THR 9 16.282 2.821 -9.844 79 HG21 THR 9 HG21 THR 9 13.920 5.456 -8.683 80 HG22 THR 9 HG22 THR 9 15.666 5.158 -8.646 81 HG23 THR 9 HG23 THR 9 14.608 4.430 -7.416 82 HA PRO 10 HA PRO 10 13.200 0.118 -5.696 83 HB2 PRO 10 HB2 PRO 10 15.082 -1.839 -6.051 84 HB3 PRO 10 HB3 PRO 10 13.423 -1.953 -6.720 85 HG2 PRO 10 HG2 PRO 10 15.941 -1.003 -8.136 86 HG3 PRO 10 HG3 PRO 10 14.752 -2.214 -8.705 87 HD2 PRO 10 HD2 PRO 10 14.632 0.357 -9.522 88 HD3 PRO 10 HD3 PRO 10 13.134 -0.538 -9.160 89 H GLU 11 H GLU 11 15.939 1.605 -7.382 90 HA GLU 11 HA GLU 11 17.967 1.340 -5.430 91 HB2 GLU 11 HB2 GLU 11 17.369 3.641 -7.337 92 HB3 GLU 11 HB3 GLU 11 18.888 3.435 -6.466 93 HG2 GLU 11 HG2 GLU 11 19.537 1.576 -7.734 94 HG3 GLU 11 HG3 GLU 11 17.893 1.200 -8.265 95 H LYS 12 H LYS 12 15.566 3.918 -5.905 96 HA LYS 12 HA LYS 12 16.357 5.594 -3.760 97 HB2 LYS 12 HB2 LYS 12 14.730 6.186 -5.605 98 HB3 LYS 12 HB3 LYS 12 13.523 5.122 -4.869 99 HG2 LYS 12 HG2 LYS 12 13.017 7.404 -4.305 100 HG3 LYS 12 HG3 LYS 12 13.527 6.574 -2.828 101 HD2 LYS 12 HD2 LYS 12 15.791 7.613 -3.044 102 HD3 LYS 12 HD3 LYS 12 15.301 8.306 -4.608 103 HE2 LYS 12 HE2 LYS 12 13.439 9.524 -3.299 104 HE3 LYS 12 HE3 LYS 12 14.304 9.040 -1.837 105 HZ1 LYS 12 HZ1 LYS 12 16.300 10.144 -2.811 106 HZ2 LYS 12 HZ2 LYS 12 15.092 11.180 -2.497 107 HZ3 LYS 12 HZ3 LYS 12 15.390 10.695 -4.040 108 H LEU 13 H LEU 13 14.099 2.876 -3.835 109 HA LEU 13 HA LEU 13 13.319 3.031 -1.067 110 HB2 LEU 13 HB2 LEU 13 13.152 0.813 -3.147 111 HB3 LEU 13 HB3 LEU 13 12.343 0.758 -1.583 112 HG LEU 13 HG LEU 13 11.859 2.974 -3.650 113 HD11 LEU 13 HD11 LEU 13 11.209 0.862 -4.623 114 HD12 LEU 13 HD12 LEU 13 9.753 1.745 -4.148 115 HD13 LEU 13 HD13 LEU 13 10.356 0.414 -3.131 116 HD21 LEU 13 HD21 LEU 13 10.186 2.141 -1.242 117 HD22 LEU 13 HD22 LEU 13 9.867 3.478 -2.373 118 HD23 LEU 13 HD23 LEU 13 11.246 3.567 -1.292 119 H LYS 14 H LYS 14 15.934 1.214 -2.814 120 HA LYS 14 HA LYS 14 16.901 -0.146 -0.530 121 HB2 LYS 14 HB2 LYS 14 17.851 0.530 -3.269 122 HB3 LYS 14 HB3 LYS 14 19.113 0.354 -2.058 123 HG2 LYS 14 HG2 LYS 14 18.698 -1.779 -3.142 124 HG3 LYS 14 HG3 LYS 14 18.306 -1.814 -1.423 125 HD2 LYS 14 HD2 LYS 14 15.855 -1.629 -2.010 126 HD3 LYS 14 HD3 LYS 14 16.322 -1.715 -3.707 127 HE2 LYS 14 HE2 LYS 14 15.640 -3.904 -2.994 128 HE3 LYS 14 HE3 LYS 14 17.372 -3.924 -3.315 129 HZ1 LYS 14 HZ1 LYS 14 16.760 -5.104 -1.319 130 HZ2 LYS 14 HZ2 LYS 14 16.131 -3.778 -0.617 131 HZ3 LYS 14 HZ3 LYS 14 17.763 -3.866 -0.938 132 H GLU 15 H GLU 15 17.277 3.296 -1.522 133 HA GLU 15 HA GLU 15 19.351 3.718 0.497 134 HB2 GLU 15 HB2 GLU 15 17.491 5.846 -0.587 135 HB3 GLU 15 HB3 GLU 15 19.091 6.043 0.136 136 HG2 GLU 15 HG2 GLU 15 19.943 4.575 -1.855 137 HG3 GLU 15 HG3 GLU 15 18.394 4.993 -2.601 138 H LEU 16 H LEU 16 15.965 4.536 0.232 139 HA LEU 16 HA LEU 16 15.594 6.294 2.111 140 HB2 LEU 16 HB2 LEU 16 13.899 4.593 0.589 141 HB3 LEU 16 HB3 LEU 16 13.241 4.610 2.204 142 HG LEU 16 HG LEU 16 13.251 7.112 2.169 143 HD11 LEU 16 HD11 LEU 16 15.036 7.532 0.486 144 HD12 LEU 16 HD12 LEU 16 13.492 8.251 0.009 145 HD13 LEU 16 HD13 LEU 16 14.014 6.712 -0.718 146 HD21 LEU 16 HD21 LEU 16 11.807 5.533 0.006 147 HD22 LEU 16 HD22 LEU 16 11.515 7.273 0.214 148 HD23 LEU 16 HD23 LEU 16 11.200 6.215 1.553 149 H SER 17 H SER 17 14.831 3.110 2.923 150 HA SER 17 HA SER 17 16.448 2.324 4.500 151 HB2 SER 17 HB2 SER 17 15.727 2.461 6.856 152 HB3 SER 17 HB3 SER 17 16.582 3.841 6.179 153 HG SER 17 HG SER 17 14.775 5.025 6.208 154 H VAL 18 H VAL 18 14.228 1.501 2.749 155 HA VAL 18 HA VAL 18 12.036 0.610 4.151 156 HB VAL 18 HB VAL 18 12.901 -0.471 1.448 157 HG11 VAL 18 HG11 VAL 18 10.503 -0.617 1.018 158 HG12 VAL 18 HG12 VAL 18 10.970 -1.609 2.404 159 HG13 VAL 18 HG13 VAL 18 10.166 -0.060 2.673 160 HG21 VAL 18 HG21 VAL 18 12.981 2.057 1.487 161 HG22 VAL 18 HG22 VAL 18 11.651 1.436 0.498 162 HG23 VAL 18 HG23 VAL 18 11.356 2.055 2.134 163 H GLU 19 H GLU 19 14.987 -1.225 3.523 164 HA GLU 19 HA GLU 19 14.034 -3.794 4.346 165 HB2 GLU 19 HB2 GLU 19 16.426 -4.199 4.918 166 HB3 GLU 19 HB3 GLU 19 16.185 -3.552 3.292 167 HG2 GLU 19 HG2 GLU 19 16.863 -1.321 4.014 168 HG3 GLU 19 HG3 GLU 19 16.922 -1.808 5.679 169 H LYS 20 H LYS 20 14.629 -0.902 6.283 170 HA LYS 20 HA LYS 20 14.636 -2.376 8.840 171 HB2 LYS 20 HB2 LYS 20 14.615 0.637 8.442 172 HB3 LYS 20 HB3 LYS 20 15.048 -0.274 9.881 173 HG2 LYS 20 HG2 LYS 20 16.984 -1.264 8.368 174 HG3 LYS 20 HG3 LYS 20 16.597 0.100 7.308 175 HD2 LYS 20 HD2 LYS 20 16.834 1.527 9.512 176 HD3 LYS 20 HD3 LYS 20 17.710 0.105 10.120 177 HE2 LYS 20 HE2 LYS 20 19.206 0.237 8.103 178 HE3 LYS 20 HE3 LYS 20 18.356 1.718 7.632 179 HZ1 LYS 20 HZ1 LYS 20 19.955 1.354 10.082 180 HZ2 LYS 20 HZ2 LYS 20 19.147 2.754 9.654 181 HZ3 LYS 20 HZ3 LYS 20 20.372 2.178 8.740 182 H TRP 21 H TRP 21 12.493 -0.451 6.805 183 HA TRP 21 HA TRP 21 10.627 0.402 8.661 184 HB2 TRP 21 HB2 TRP 21 10.201 -0.515 5.795 185 HB3 TRP 21 HB3 TRP 21 9.035 0.387 6.720 186 HD1 TRP 21 HD1 TRP 21 12.280 1.950 7.487 187 HE1 TRP 21 HE1 TRP 21 12.741 3.926 6.063 188 HE3 TRP 21 HE3 TRP 21 8.536 1.295 4.066 189 HZ2 TRP 21 HZ2 TRP 21 11.684 5.132 3.579 190 HZ3 TRP 21 HZ3 TRP 21 8.253 2.863 2.182 191 HH2 TRP 21 HH2 TRP 21 9.840 4.794 1.910 192 HA PRO 22 HA PRO 22 8.566 -3.249 9.968 193 HB2 PRO 22 HB2 PRO 22 5.951 -2.515 10.343 194 HB3 PRO 22 HB3 PRO 22 7.317 -1.965 11.367 195 HG2 PRO 22 HG2 PRO 22 6.080 -0.477 9.027 196 HG3 PRO 22 HG3 PRO 22 6.382 0.135 10.686 197 HD2 PRO 22 HD2 PRO 22 8.153 0.608 8.715 198 HD3 PRO 22 HD3 PRO 22 8.731 0.150 10.336 199 H ILE 23 H ILE 23 7.741 -5.065 9.104 200 HA ILE 23 HA ILE 23 6.557 -5.138 6.422 201 HB ILE 23 HB ILE 23 7.290 -7.198 8.537 202 HG12 ILE 23 HG12 ILE 23 8.034 -6.831 5.608 203 HG13 ILE 23 HG13 ILE 23 9.020 -6.273 6.947 204 HG21 ILE 23 HG21 ILE 23 5.132 -8.009 7.677 205 HG22 ILE 23 HG22 ILE 23 5.714 -7.840 5.998 206 HG23 ILE 23 HG23 ILE 23 6.426 -9.025 7.122 207 HD11 ILE 23 HD11 ILE 23 9.908 -8.264 6.037 208 HD12 ILE 23 HD12 ILE 23 9.364 -8.591 7.703 209 HD13 ILE 23 HD13 ILE 23 8.431 -9.181 6.299 210 H TRP 24 H TRP 24 4.412 -5.689 6.009 211 HA TRP 24 HA TRP 24 2.670 -6.342 8.244 212 HB2 TRP 24 HB2 TRP 24 2.253 -4.024 8.030 213 HB3 TRP 24 HB3 TRP 24 2.195 -4.082 6.300 214 HD1 TRP 24 HD1 TRP 24 0.100 -3.803 9.222 215 HE1 TRP 24 HE1 TRP 24 -2.362 -3.949 8.639 216 HE3 TRP 24 HE3 TRP 24 0.475 -6.007 4.612 217 HZ2 TRP 24 HZ2 TRP 24 -3.965 -4.587 6.315 218 HZ3 TRP 24 HZ3 TRP 24 -1.549 -6.352 3.235 219 HH2 TRP 24 HH2 TRP 24 -3.752 -5.680 4.055 220 H GLU 25 H GLU 25 1.399 -8.067 7.644 221 HA GLU 25 HA GLU 25 1.160 -8.875 4.857 222 HB2 GLU 25 HB2 GLU 25 1.671 -11.282 5.635 223 HB3 GLU 25 HB3 GLU 25 2.950 -10.192 5.153 224 HG2 GLU 25 HG2 GLU 25 3.742 -9.884 7.326 225 HG3 GLU 25 HG3 GLU 25 2.272 -10.504 8.100 226 H LYS 26 H LYS 26 -0.838 -9.450 4.542 227 HA LYS 26 HA LYS 26 -2.603 -10.106 6.890 228 HB2 LYS 26 HB2 LYS 26 -2.971 -8.190 4.657 229 HB3 LYS 26 HB3 LYS 26 -4.289 -9.334 4.776 230 HG2 LYS 26 HG2 LYS 26 -3.341 -7.856 7.225 231 HG3 LYS 26 HG3 LYS 26 -4.513 -7.145 6.110 232 HD2 LYS 26 HD2 LYS 26 -6.041 -9.034 6.478 233 HD3 LYS 26 HD3 LYS 26 -4.851 -9.807 7.472 234 HE2 LYS 26 HE2 LYS 26 -5.012 -7.371 8.755 235 HE3 LYS 26 HE3 LYS 26 -6.629 -7.446 8.057 236 HZ1 LYS 26 HZ1 LYS 26 -6.743 -9.719 9.144 237 HZ2 LYS 26 HZ2 LYS 26 -6.743 -8.441 10.198 238 HZ3 LYS 26 HZ3 LYS 26 -5.410 -9.369 9.961 239 H GLU 27 H GLU 27 -4.141 -11.621 6.663 240 HA GLU 27 HA GLU 27 -3.720 -13.765 4.801 241 HB2 GLU 27 HB2 GLU 27 -5.752 -14.688 5.746 242 HB3 GLU 27 HB3 GLU 27 -4.608 -14.176 6.981 243 HG2 GLU 27 HG2 GLU 27 -7.091 -12.632 6.151 244 HG3 GLU 27 HG3 GLU 27 -7.091 -13.866 7.403 245 H VAL 28 H VAL 28 -5.395 -14.558 3.478 246 HA VAL 28 HA VAL 28 -5.915 -12.750 1.347 247 HB VAL 28 HB VAL 28 -5.088 -15.111 1.323 248 HG11 VAL 28 HG11 VAL 28 -6.635 -16.165 2.922 249 HG12 VAL 28 HG12 VAL 28 -7.988 -15.888 1.814 250 HG13 VAL 28 HG13 VAL 28 -6.669 -16.996 1.360 251 HG21 VAL 28 HG21 VAL 28 -7.483 -14.758 -0.432 252 HG22 VAL 28 HG22 VAL 28 -5.932 -13.950 -0.689 253 HG23 VAL 28 HG23 VAL 28 -6.037 -15.716 -0.766 254 H SER 29 H SER 29 -7.580 -12.292 3.808 255 HA SER 29 HA SER 29 -10.360 -12.778 2.921 256 HB2 SER 29 HB2 SER 29 -9.581 -13.298 5.201 257 HB3 SER 29 HB3 SER 29 -9.302 -11.572 5.489 258 HG SER 29 HG SER 29 -11.383 -12.653 6.153 259 H GLU 30 H GLU 30 -11.610 -10.451 3.823 260 HA GLU 30 HA GLU 30 -10.213 -8.173 2.586 261 HB2 GLU 30 HB2 GLU 30 -11.976 -7.550 1.180 262 HB3 GLU 30 HB3 GLU 30 -11.539 -9.210 0.814 263 HG2 GLU 30 HG2 GLU 30 -13.728 -9.560 0.759 264 HG3 GLU 30 HG3 GLU 30 -13.665 -9.604 2.515 265 H PHE 31 H PHE 31 -11.006 -6.202 3.169 266 HA PHE 31 HA PHE 31 -12.909 -5.822 5.355 267 HB2 PHE 31 HB2 PHE 31 -11.163 -5.073 6.987 268 HB3 PHE 31 HB3 PHE 31 -11.128 -6.781 6.654 269 HD1 PHE 31 HD1 PHE 31 -9.254 -7.822 5.459 270 HD2 PHE 31 HD2 PHE 31 -9.279 -3.608 6.278 271 HE1 PHE 31 HE1 PHE 31 -6.820 -7.717 4.963 272 HE2 PHE 31 HE2 PHE 31 -6.880 -3.477 5.714 273 HZ PHE 31 HZ PHE 31 -5.668 -5.513 5.028 274 H ASP 32 H ASP 32 -11.883 -3.298 6.278 275 HA ASP 32 HA ASP 32 -11.119 -1.760 3.934 276 HB2 ASP 32 HB2 ASP 32 -12.621 0.015 4.441 277 HB3 ASP 32 HB3 ASP 32 -13.568 -1.445 4.192 278 H TRP 33 H TRP 33 -9.979 0.204 4.541 279 HA TRP 33 HA TRP 33 -8.925 0.194 7.343 280 HB2 TRP 33 HB2 TRP 33 -7.505 -1.165 5.772 281 HB3 TRP 33 HB3 TRP 33 -7.235 0.266 4.810 282 HD1 TRP 33 HD1 TRP 33 -5.536 2.055 5.735 283 HE1 TRP 33 HE1 TRP 33 -3.857 2.122 7.640 284 HE3 TRP 33 HE3 TRP 33 -7.241 -1.951 8.401 285 HZ2 TRP 33 HZ2 TRP 33 -3.173 0.480 9.949 286 HZ3 TRP 33 HZ3 TRP 33 -6.100 -2.614 10.512 287 HH2 TRP 33 HH2 TRP 33 -4.061 -1.413 11.265 288 H TYR 34 H TYR 34 -8.861 2.181 8.228 289 HA TYR 34 HA TYR 34 -9.091 4.620 6.603 290 HB2 TYR 34 HB2 TYR 34 -10.212 4.143 8.903 291 HB3 TYR 34 HB3 TYR 34 -8.636 4.485 9.600 292 HD1 TYR 34 HD1 TYR 34 -7.556 6.767 8.484 293 HD2 TYR 34 HD2 TYR 34 -11.724 5.969 9.075 294 HE1 TYR 34 HE1 TYR 34 -8.049 9.116 7.986 295 HE2 TYR 34 HE2 TYR 34 -12.218 8.390 8.795 296 HH TYR 34 HH TYR 34 -11.247 10.565 8.347 297 H TYR 35 H TYR 35 -7.323 5.864 6.022 298 HA TYR 35 HA TYR 35 -4.654 5.355 7.283 299 HB2 TYR 35 HB2 TYR 35 -5.294 6.370 4.477 300 HB3 TYR 35 HB3 TYR 35 -3.715 6.480 5.242 301 HD1 TYR 35 HD1 TYR 35 -2.621 4.290 6.084 302 HD2 TYR 35 HD2 TYR 35 -5.772 4.458 3.165 303 HE1 TYR 35 HE1 TYR 35 -2.046 2.002 5.357 304 HE2 TYR 35 HE2 TYR 35 -5.223 2.148 2.430 305 HH TYR 35 HH TYR 35 -2.845 0.142 4.166 306 H ASP 36 H ASP 36 -4.591 6.952 8.913 307 HA ASP 36 HA ASP 36 -5.561 9.654 8.170 308 HB2 ASP 36 HB2 ASP 36 -6.200 10.117 10.274 309 HB3 ASP 36 HB3 ASP 36 -6.925 8.560 9.945 310 H THR 37 H THR 37 -2.856 8.327 7.882 311 HA THR 37 HA THR 37 -1.451 10.816 8.208 312 HB THR 37 HB THR 37 0.539 9.199 9.233 313 HG1 THR 37 HG1 THR 37 -0.500 8.303 11.170 314 HG21 THR 37 HG21 THR 37 -1.401 11.159 10.514 315 HG22 THR 37 HG22 THR 37 0.227 11.442 9.917 316 HG23 THR 37 HG23 THR 37 -0.000 10.487 11.392 317 H ASN 38 H ASN 38 0.787 10.513 7.192 318 HA ASN 38 HA ASN 38 0.339 9.604 4.463 319 HB2 ASN 38 HB2 ASN 38 3.016 10.305 5.714 320 HB3 ASN 38 HB3 ASN 38 2.484 10.501 4.044 321 HD21 ASN 38 HD21 ASN 38 2.733 11.907 7.194 322 HD22 ASN 38 HD22 ASN 38 1.889 13.396 6.887 323 H GLU 39 H GLU 39 0.710 7.521 3.752 324 HA GLU 39 HA GLU 39 2.663 5.893 5.284 325 HB2 GLU 39 HB2 GLU 39 0.339 5.511 6.055 326 HB3 GLU 39 HB3 GLU 39 -0.081 4.899 4.450 327 HG2 GLU 39 HG2 GLU 39 1.553 3.099 4.639 328 HG3 GLU 39 HG3 GLU 39 2.229 3.797 6.116 329 H THR 40 H THR 40 4.242 5.771 3.858 330 HA THR 40 HA THR 40 3.808 5.198 1.012 331 HB THR 40 HB THR 40 6.318 5.144 2.759 332 HG1 THR 40 HG1 THR 40 6.590 7.054 1.151 333 HG21 THR 40 HG21 THR 40 7.557 5.162 0.619 334 HG22 THR 40 HG22 THR 40 6.020 5.046 -0.278 335 HG23 THR 40 HG23 THR 40 6.574 3.702 0.756 336 H CYS 41 H CYS 41 3.895 3.022 0.161 337 HA CYS 41 HA CYS 41 4.879 0.943 1.919 338 HB2 CYS 41 HB2 CYS 41 2.694 -0.451 1.425 339 HB3 CYS 41 HB3 CYS 41 2.770 0.659 2.789 340 HG CYS 41 HG CYS 41 1.694 2.721 1.592 341 H TYR 42 H TYR 42 5.860 -0.612 0.862 342 HA TYR 42 HA TYR 42 5.964 -0.475 -2.113 343 HB2 TYR 42 HB2 TYR 42 7.991 0.217 -0.920 344 HB3 TYR 42 HB3 TYR 42 7.997 -1.237 0.039 345 HD1 TYR 42 HD1 TYR 42 7.681 -0.610 -3.733 346 HD2 TYR 42 HD2 TYR 42 9.829 -2.512 -0.468 347 HE1 TYR 42 HE1 TYR 42 9.238 -1.657 -5.334 348 HE2 TYR 42 HE2 TYR 42 11.467 -3.393 -2.061 349 HH TYR 42 HH TYR 42 10.960 -3.474 -5.493 350 H ILE 43 H ILE 43 4.737 -2.102 -3.010 351 HA ILE 43 HA ILE 43 4.136 -4.511 -1.498 352 HB ILE 43 HB ILE 43 3.461 -3.870 -4.382 353 HG12 ILE 43 HG12 ILE 43 2.554 -2.006 -3.180 354 HG13 ILE 43 HG13 ILE 43 1.255 -3.085 -3.635 355 HG21 ILE 43 HG21 ILE 43 2.175 -5.757 -2.348 356 HG22 ILE 43 HG22 ILE 43 1.555 -5.427 -3.984 357 HG23 ILE 43 HG23 ILE 43 3.111 -6.224 -3.769 358 HD11 ILE 43 HD11 ILE 43 0.889 -2.226 -1.385 359 HD12 ILE 43 HD12 ILE 43 1.204 -3.968 -1.290 360 HD13 ILE 43 HD13 ILE 43 2.474 -2.789 -0.864 361 H LEU 44 H LEU 44 5.523 -6.205 -1.403 362 HA LEU 44 HA LEU 44 7.507 -6.500 -3.609 363 HB2 LEU 44 HB2 LEU 44 7.465 -7.560 -0.764 364 HB3 LEU 44 HB3 LEU 44 8.644 -8.034 -1.980 365 HG LEU 44 HG LEU 44 8.592 -5.147 -1.949 366 HD11 LEU 44 HD11 LEU 44 7.645 -5.393 0.350 367 HD12 LEU 44 HD12 LEU 44 9.247 -4.640 0.328 368 HD13 LEU 44 HD13 LEU 44 9.075 -6.343 0.803 369 HD21 LEU 44 HD21 LEU 44 10.538 -6.469 -2.612 370 HD22 LEU 44 HD22 LEU 44 10.676 -7.152 -0.979 371 HD23 LEU 44 HD23 LEU 44 10.960 -5.421 -1.246 372 H GLU 45 H GLU 45 4.742 -8.217 -2.117 373 HA GLU 45 HA GLU 45 4.823 -10.121 -4.299 374 HB2 GLU 45 HB2 GLU 45 5.079 -12.094 -2.969 375 HB3 GLU 45 HB3 GLU 45 6.458 -11.067 -2.703 376 HG2 GLU 45 HG2 GLU 45 4.928 -10.186 -0.658 377 HG3 GLU 45 HG3 GLU 45 4.246 -11.793 -0.801 378 H GLY 46 H GLY 46 2.792 -11.315 -4.391 379 HA2 GLY 46 HA2 GLY 46 0.569 -11.734 -3.902 380 HA3 GLY 46 HA3 GLY 46 0.610 -10.592 -2.567 381 H LYS 47 H LYS 47 -1.543 -10.064 -3.577 382 HA LYS 47 HA LYS 47 -1.334 -7.866 -5.532 383 HB2 LYS 47 HB2 LYS 47 -2.223 -10.421 -6.289 384 HB3 LYS 47 HB3 LYS 47 -3.732 -9.617 -5.878 385 HG2 LYS 47 HG2 LYS 47 -1.615 -8.644 -7.851 386 HG3 LYS 47 HG3 LYS 47 -3.085 -9.495 -8.280 387 HD2 LYS 47 HD2 LYS 47 -3.045 -6.765 -7.009 388 HD3 LYS 47 HD3 LYS 47 -3.116 -7.045 -8.719 389 HE2 LYS 47 HE2 LYS 47 -5.234 -7.947 -6.716 390 HE3 LYS 47 HE3 LYS 47 -5.275 -6.465 -7.678 391 HZ1 LYS 47 HZ1 LYS 47 -5.213 -7.910 -9.685 392 HZ2 LYS 47 HZ2 LYS 47 -6.572 -8.068 -8.773 393 HZ3 LYS 47 HZ3 LYS 47 -5.434 -9.233 -8.742 394 H VAL 48 H VAL 48 -2.980 -6.337 -5.205 395 HA VAL 48 HA VAL 48 -5.026 -6.815 -3.147 396 HB VAL 48 HB VAL 48 -3.234 -4.382 -3.054 397 HG11 VAL 48 HG11 VAL 48 -5.146 -5.320 -0.905 398 HG12 VAL 48 HG12 VAL 48 -4.256 -3.789 -1.004 399 HG13 VAL 48 HG13 VAL 48 -5.570 -4.092 -2.119 400 HG21 VAL 48 HG21 VAL 48 -2.300 -5.267 -0.933 401 HG22 VAL 48 HG22 VAL 48 -3.131 -6.811 -1.241 402 HG23 VAL 48 HG23 VAL 48 -1.852 -6.239 -2.334 403 H GLU 49 H GLU 49 -6.900 -5.674 -3.615 404 HA GLU 49 HA GLU 49 -6.896 -3.544 -5.652 405 HB2 GLU 49 HB2 GLU 49 -8.824 -5.820 -5.105 406 HB3 GLU 49 HB3 GLU 49 -9.387 -4.313 -5.857 407 HG2 GLU 49 HG2 GLU 49 -8.003 -4.574 -7.757 408 HG3 GLU 49 HG3 GLU 49 -6.964 -5.738 -6.953 409 H VAL 50 H VAL 50 -7.416 -1.657 -4.798 410 HA VAL 50 HA VAL 50 -8.717 -1.530 -2.129 411 HB VAL 50 HB VAL 50 -6.813 0.444 -3.454 412 HG11 VAL 50 HG11 VAL 50 -8.417 1.511 -1.863 413 HG12 VAL 50 HG12 VAL 50 -7.840 0.424 -0.577 414 HG13 VAL 50 HG13 VAL 50 -6.738 1.598 -1.317 415 HG21 VAL 50 HG21 VAL 50 -6.336 -1.615 -1.231 416 HG22 VAL 50 HG22 VAL 50 -5.533 -1.547 -2.801 417 HG23 VAL 50 HG23 VAL 50 -5.219 -0.309 -1.613 418 H THR 51 H THR 51 -10.821 -0.840 -2.292 419 HA THR 51 HA THR 51 -11.612 0.732 -4.703 420 HB THR 51 HB THR 51 -13.197 -1.285 -3.085 421 HG1 THR 51 HG1 THR 51 -11.987 -2.271 -4.579 422 HG21 THR 51 HG21 THR 51 -14.989 -0.821 -4.828 423 HG22 THR 51 HG22 THR 51 -14.094 0.653 -5.261 424 HG23 THR 51 HG23 THR 51 -14.759 0.464 -3.634 425 H THR 52 H THR 52 -12.084 2.814 -4.281 426 HA THR 52 HA THR 52 -12.202 3.610 -1.524 427 HB THR 52 HB THR 52 -12.268 5.851 -2.286 428 HG1 THR 52 HG1 THR 52 -12.520 6.321 -4.490 429 HG21 THR 52 HG21 THR 52 -10.056 4.693 -2.505 430 HG22 THR 52 HG22 THR 52 -10.263 6.013 -3.666 431 HG23 THR 52 HG23 THR 52 -10.434 4.328 -4.195 432 H GLU 53 H GLU 53 -13.945 5.100 -0.682 433 HA GLU 53 HA GLU 53 -16.532 3.801 -0.916 434 HB2 GLU 53 HB2 GLU 53 -15.692 4.675 1.169 435 HB3 GLU 53 HB3 GLU 53 -15.525 6.288 0.511 436 HG2 GLU 53 HG2 GLU 53 -18.253 5.239 0.201 437 HG3 GLU 53 HG3 GLU 53 -17.733 5.220 1.885 438 H ASP 54 H ASP 54 -14.930 6.634 -2.273 439 HA ASP 54 HA ASP 54 -17.011 7.718 -3.870 440 HB2 ASP 54 HB2 ASP 54 -14.940 8.888 -3.423 441 HB3 ASP 54 HB3 ASP 54 -13.994 7.662 -4.246 442 H GLY 55 H GLY 55 -15.379 4.678 -4.199 443 HA2 GLY 55 HA2 GLY 55 -16.400 2.983 -5.494 444 HA3 GLY 55 HA3 GLY 55 -16.883 4.168 -6.705 445 H LYS 56 H LYS 56 -13.856 5.145 -6.217 446 HA LYS 56 HA LYS 56 -12.844 4.149 -8.676 447 HB2 LYS 56 HB2 LYS 56 -11.328 5.353 -6.315 448 HB3 LYS 56 HB3 LYS 56 -10.665 5.150 -7.925 449 HG2 LYS 56 HG2 LYS 56 -13.222 6.710 -7.530 450 HG3 LYS 56 HG3 LYS 56 -11.685 7.475 -7.150 451 HD2 LYS 56 HD2 LYS 56 -11.051 7.655 -9.336 452 HD3 LYS 56 HD3 LYS 56 -11.794 6.128 -9.808 453 HE2 LYS 56 HE2 LYS 56 -12.859 8.092 -10.868 454 HE3 LYS 56 HE3 LYS 56 -13.977 7.073 -9.947 455 HZ1 LYS 56 HZ1 LYS 56 -12.868 9.650 -8.988 456 HZ2 LYS 56 HZ2 LYS 56 -13.950 8.689 -8.180 457 HZ3 LYS 56 HZ3 LYS 56 -14.367 9.395 -9.592 458 H LYS 57 H LYS 57 -12.265 2.080 -9.057 459 HA LYS 57 HA LYS 57 -11.166 0.324 -6.933 460 HB2 LYS 57 HB2 LYS 57 -11.753 0.019 -9.901 461 HB3 LYS 57 HB3 LYS 57 -10.475 -0.955 -9.187 462 HG2 LYS 57 HG2 LYS 57 -12.502 -2.231 -9.221 463 HG3 LYS 57 HG3 LYS 57 -11.922 -1.966 -7.587 464 HD2 LYS 57 HD2 LYS 57 -14.304 -1.755 -7.564 465 HD3 LYS 57 HD3 LYS 57 -13.626 -0.144 -7.323 466 HE2 LYS 57 HE2 LYS 57 -13.944 0.278 -9.810 467 HE3 LYS 57 HE3 LYS 57 -14.788 -1.276 -9.909 468 HZ1 LYS 57 HZ1 LYS 57 -15.568 1.057 -8.276 469 HZ2 LYS 57 HZ2 LYS 57 -16.368 -0.390 -8.260 470 HZ3 LYS 57 HZ3 LYS 57 -16.329 0.560 -9.614 471 H TYR 58 H TYR 58 -8.961 -0.203 -6.825 472 HA TYR 58 HA TYR 58 -7.120 0.871 -8.847 473 HB2 TYR 58 HB2 TYR 58 -6.688 0.931 -5.821 474 HB3 TYR 58 HB3 TYR 58 -5.407 1.110 -7.012 475 HD1 TYR 58 HD1 TYR 58 -8.533 2.736 -5.750 476 HD2 TYR 58 HD2 TYR 58 -4.865 3.195 -7.958 477 HE1 TYR 58 HE1 TYR 58 -8.875 5.213 -5.839 478 HE2 TYR 58 HE2 TYR 58 -5.142 5.618 -7.990 479 HH TYR 58 HH TYR 58 -6.548 7.373 -7.532 480 H VAL 59 H VAL 59 -5.216 -0.529 -8.930 481 HA VAL 59 HA VAL 59 -5.405 -3.269 -7.715 482 HB VAL 59 HB VAL 59 -4.531 -2.397 -10.515 483 HG11 VAL 59 HG11 VAL 59 -3.066 -4.201 -9.719 484 HG12 VAL 59 HG12 VAL 59 -4.490 -5.166 -9.265 485 HG13 VAL 59 HG13 VAL 59 -4.146 -4.792 -10.966 486 HG21 VAL 59 HG21 VAL 59 -6.327 -3.816 -11.375 487 HG22 VAL 59 HG22 VAL 59 -6.824 -4.243 -9.723 488 HG23 VAL 59 HG23 VAL 59 -7.005 -2.581 -10.327 489 H ILE 60 H ILE 60 -3.279 -3.916 -6.946 490 HA ILE 60 HA ILE 60 -1.006 -2.352 -7.850 491 HB ILE 60 HB ILE 60 -0.022 -2.395 -5.499 492 HG12 ILE 60 HG12 ILE 60 -2.926 -2.749 -4.709 493 HG13 ILE 60 HG13 ILE 60 -1.525 -3.705 -4.266 494 HG21 ILE 60 HG21 ILE 60 -2.220 -0.363 -5.861 495 HG22 ILE 60 HG22 ILE 60 -0.619 -0.179 -5.140 496 HG23 ILE 60 HG23 ILE 60 -0.764 -0.392 -6.872 497 HD11 ILE 60 HD11 ILE 60 -0.651 -1.653 -3.028 498 HD12 ILE 60 HD12 ILE 60 -2.229 -0.892 -3.344 499 HD13 ILE 60 HD13 ILE 60 -2.138 -2.365 -2.364 500 H GLU 61 H GLU 61 0.604 -3.629 -8.343 501 HA GLU 61 HA GLU 61 0.387 -6.524 -7.682 502 HB2 GLU 61 HB2 GLU 61 1.562 -7.037 -9.607 503 HB3 GLU 61 HB3 GLU 61 0.406 -5.822 -10.137 504 HG2 GLU 61 HG2 GLU 61 2.264 -4.105 -10.055 505 HG3 GLU 61 HG3 GLU 61 3.388 -5.394 -9.635 506 H LYS 62 H LYS 62 2.659 -7.473 -7.593 507 HA LYS 62 HA LYS 62 4.371 -6.314 -5.610 508 HB2 LYS 62 HB2 LYS 62 5.799 -8.241 -6.130 509 HB3 LYS 62 HB3 LYS 62 4.107 -8.685 -5.868 510 HG2 LYS 62 HG2 LYS 62 4.040 -8.467 -8.549 511 HG3 LYS 62 HG3 LYS 62 5.781 -8.768 -8.376 512 HD2 LYS 62 HD2 LYS 62 5.336 -10.760 -7.002 513 HD3 LYS 62 HD3 LYS 62 3.598 -10.572 -7.234 514 HE2 LYS 62 HE2 LYS 62 5.495 -10.819 -9.608 515 HE3 LYS 62 HE3 LYS 62 4.962 -12.247 -8.710 516 HZ1 LYS 62 HZ1 LYS 62 3.175 -10.372 -10.134 517 HZ2 LYS 62 HZ2 LYS 62 2.665 -11.628 -9.187 518 HZ3 LYS 62 HZ3 LYS 62 3.538 -11.916 -10.542 519 H GLY 63 H GLY 63 4.401 -4.268 -6.763 520 HA2 GLY 63 HA2 GLY 63 6.978 -3.512 -7.544 521 HA3 GLY 63 HA3 GLY 63 6.148 -3.854 -9.069 522 H ASP 64 H ASP 64 3.583 -2.732 -7.258 523 HA ASP 64 HA ASP 64 3.973 0.071 -8.077 524 HB2 ASP 64 HB2 ASP 64 1.732 -1.472 -6.690 525 HB3 ASP 64 HB3 ASP 64 1.709 0.260 -6.939 526 H LEU 65 H LEU 65 4.500 1.640 -6.563 527 HA LEU 65 HA LEU 65 4.662 0.925 -3.680 528 HB2 LEU 65 HB2 LEU 65 6.877 1.616 -4.463 529 HB3 LEU 65 HB3 LEU 65 6.179 2.953 -5.309 530 HG LEU 65 HG LEU 65 5.348 3.561 -2.736 531 HD11 LEU 65 HD11 LEU 65 7.967 2.039 -2.556 532 HD12 LEU 65 HD12 LEU 65 6.462 1.780 -1.650 533 HD13 LEU 65 HD13 LEU 65 7.451 3.220 -1.350 534 HD21 LEU 65 HD21 LEU 65 6.485 5.066 -4.344 535 HD22 LEU 65 HD22 LEU 65 8.047 4.350 -3.838 536 HD23 LEU 65 HD23 LEU 65 7.047 5.224 -2.675 537 H VAL 66 H VAL 66 3.317 2.189 -2.437 538 HA VAL 66 HA VAL 66 1.519 4.116 -3.846 539 HB VAL 66 HB VAL 66 0.919 2.187 -1.556 540 HG11 VAL 66 HG11 VAL 66 -1.489 2.710 -2.108 541 HG12 VAL 66 HG12 VAL 66 -0.601 4.056 -1.400 542 HG13 VAL 66 HG13 VAL 66 -0.918 4.018 -3.147 543 HG21 VAL 66 HG21 VAL 66 1.246 0.862 -3.590 544 HG22 VAL 66 HG22 VAL 66 -0.464 0.928 -3.158 545 HG23 VAL 66 HG23 VAL 66 0.157 1.942 -4.479 546 H THR 67 H THR 67 0.778 5.867 -2.553 547 HA THR 67 HA THR 67 1.978 6.196 0.112 548 HB THR 67 HB THR 67 1.966 8.420 -1.946 549 HG1 THR 67 HG1 THR 67 3.798 6.452 -1.432 550 HG21 THR 67 HG21 THR 67 3.315 8.132 0.813 551 HG22 THR 67 HG22 THR 67 1.849 9.076 0.534 552 HG23 THR 67 HG23 THR 67 3.379 9.569 -0.226 553 H PHE 68 H PHE 68 0.112 5.941 1.211 554 HA PHE 68 HA PHE 68 -2.416 7.047 0.243 555 HB2 PHE 68 HB2 PHE 68 -1.571 5.684 2.827 556 HB3 PHE 68 HB3 PHE 68 -3.188 6.306 2.559 557 HD1 PHE 68 HD1 PHE 68 -4.538 5.481 0.559 558 HD2 PHE 68 HD2 PHE 68 -0.967 3.509 1.941 559 HE1 PHE 68 HE1 PHE 68 -5.155 3.456 -0.748 560 HE2 PHE 68 HE2 PHE 68 -1.612 1.477 0.665 561 HZ PHE 68 HZ PHE 68 -3.683 1.454 -0.696 562 HA PRO 69 HA PRO 69 -1.795 10.971 2.182 563 HB2 PRO 69 HB2 PRO 69 -4.239 12.048 2.279 564 HB3 PRO 69 HB3 PRO 69 -3.592 11.491 0.694 565 HG2 PRO 69 HG2 PRO 69 -5.368 9.931 2.610 566 HG3 PRO 69 HG3 PRO 69 -5.662 10.349 0.908 567 HD2 PRO 69 HD2 PRO 69 -4.489 7.958 1.686 568 HD3 PRO 69 HD3 PRO 69 -4.014 8.762 0.159 569 H LYS 70 H LYS 70 -2.770 12.302 3.877 570 HA LYS 70 HA LYS 70 -3.197 10.836 6.436 571 HB2 LYS 70 HB2 LYS 70 -1.460 12.607 6.475 572 HB3 LYS 70 HB3 LYS 70 -2.634 13.811 5.913 573 HG2 LYS 70 HG2 LYS 70 -3.908 13.632 7.968 574 HG3 LYS 70 HG3 LYS 70 -2.962 12.225 8.480 575 HD2 LYS 70 HD2 LYS 70 -0.966 13.464 8.764 576 HD3 LYS 70 HD3 LYS 70 -1.701 14.919 8.115 577 HE2 LYS 70 HE2 LYS 70 -2.631 13.443 10.634 578 HE3 LYS 70 HE3 LYS 70 -1.524 14.812 10.649 579 HZ1 LYS 70 HZ1 LYS 70 -3.411 16.097 9.538 580 HZ2 LYS 70 HZ2 LYS 70 -3.627 15.695 11.093 581 HZ3 LYS 70 HZ3 LYS 70 -4.390 14.843 9.935 582 H GLY 71 H GLY 71 -5.309 10.047 5.838 583 HA2 GLY 71 HA2 GLY 71 -7.513 10.707 6.687 584 HA3 GLY 71 HA3 GLY 71 -7.391 12.194 5.780 585 H LEU 72 H LEU 72 -7.565 8.612 5.384 586 HA LEU 72 HA LEU 72 -9.570 9.012 3.310 587 HB2 LEU 72 HB2 LEU 72 -7.328 8.810 2.125 588 HB3 LEU 72 HB3 LEU 72 -7.134 7.226 2.879 589 HG LEU 72 HG LEU 72 -9.186 6.457 1.669 590 HD11 LEU 72 HD11 LEU 72 -10.391 8.569 1.316 591 HD12 LEU 72 HD12 LEU 72 -10.021 7.839 -0.239 592 HD13 LEU 72 HD13 LEU 72 -9.038 9.201 0.347 593 HD21 LEU 72 HD21 LEU 72 -7.005 7.663 -0.068 594 HD22 LEU 72 HD22 LEU 72 -8.122 6.348 -0.544 595 HD23 LEU 72 HD23 LEU 72 -6.954 6.079 0.750 596 H ARG 73 H ARG 73 -10.883 6.996 3.076 597 HA ARG 73 HA ARG 73 -10.438 4.862 5.028 598 HB2 ARG 73 HB2 ARG 73 -12.641 5.075 6.034 599 HB3 ARG 73 HB3 ARG 73 -11.623 6.476 6.329 600 HG2 ARG 73 HG2 ARG 73 -12.862 7.578 4.330 601 HG3 ARG 73 HG3 ARG 73 -14.066 6.307 4.541 602 HD2 ARG 73 HD2 ARG 73 -14.862 7.200 6.525 603 HD3 ARG 73 HD3 ARG 73 -13.283 7.825 6.998 604 HE ARG 73 HE ARG 73 -13.668 9.810 5.955 605 HH11 ARG 73 HH11 ARG 73 -16.370 7.743 5.104 606 HH12 ARG 73 HH12 ARG 73 -16.799 8.533 3.637 607 HH21 ARG 73 HH21 ARG 73 -14.245 11.048 4.241 608 HH22 ARG 73 HH22 ARG 73 -15.744 10.817 3.366 609 H CYS 74 H CYS 74 -10.341 3.232 3.502 610 HA CYS 74 HA CYS 74 -12.528 2.987 1.516 611 HB2 CYS 74 HB2 CYS 74 -9.578 3.215 0.769 612 HB3 CYS 74 HB3 CYS 74 -10.884 2.671 -0.290 613 HG CYS 74 HG CYS 74 -11.935 5.233 1.138 614 H ARG 75 H ARG 75 -12.287 0.875 0.261 615 HA ARG 75 HA ARG 75 -12.026 -1.166 2.305 616 HB2 ARG 75 HB2 ARG 75 -13.292 -0.949 -0.379 617 HB3 ARG 75 HB3 ARG 75 -12.624 -2.508 0.023 618 HG2 ARG 75 HG2 ARG 75 -14.868 -2.585 0.802 619 HG3 ARG 75 HG3 ARG 75 -13.843 -2.486 2.217 620 HD2 ARG 75 HD2 ARG 75 -15.597 -0.912 2.630 621 HD3 ARG 75 HD3 ARG 75 -14.220 0.057 2.174 622 HE ARG 75 HE ARG 75 -15.245 0.682 0.199 623 HH11 ARG 75 HH11 ARG 75 -17.147 -1.940 1.731 624 HH12 ARG 75 HH12 ARG 75 -18.538 -1.699 0.738 625 HH21 ARG 75 HH21 ARG 75 -17.226 1.015 -1.125 626 HH22 ARG 75 HH22 ARG 75 -18.652 0.231 -0.618 627 H TRP 76 H TRP 76 -10.824 -3.109 2.107 628 HA TRP 76 HA TRP 76 -8.535 -3.102 0.282 629 HB2 TRP 76 HB2 TRP 76 -8.455 -3.118 3.249 630 HB3 TRP 76 HB3 TRP 76 -7.534 -4.391 2.467 631 HD1 TRP 76 HD1 TRP 76 -7.894 -0.591 1.859 632 HE1 TRP 76 HE1 TRP 76 -5.607 0.366 1.291 633 HE3 TRP 76 HE3 TRP 76 -5.134 -4.889 2.121 634 HZ2 TRP 76 HZ2 TRP 76 -2.937 -0.618 0.809 635 HZ3 TRP 76 HZ3 TRP 76 -2.723 -4.856 1.536 636 HH2 TRP 76 HH2 TRP 76 -1.631 -2.719 0.822 637 H LYS 77 H LYS 77 -9.343 -4.669 -1.058 638 HA LYS 77 HA LYS 77 -10.312 -7.253 0.048 639 HB2 LYS 77 HB2 LYS 77 -11.292 -6.251 -2.072 640 HB3 LYS 77 HB3 LYS 77 -9.711 -6.372 -2.801 641 HG2 LYS 77 HG2 LYS 77 -10.621 -8.288 -3.608 642 HG3 LYS 77 HG3 LYS 77 -9.946 -8.946 -2.119 643 HD2 LYS 77 HD2 LYS 77 -12.298 -8.509 -1.105 644 HD3 LYS 77 HD3 LYS 77 -12.852 -8.225 -2.753 645 HE2 LYS 77 HE2 LYS 77 -12.397 -10.468 -3.431 646 HE3 LYS 77 HE3 LYS 77 -11.290 -10.731 -2.098 647 HZ1 LYS 77 HZ1 LYS 77 -14.230 -10.707 -1.944 648 HZ2 LYS 77 HZ2 LYS 77 -13.267 -10.627 -0.595 649 HZ3 LYS 77 HZ3 LYS 77 -13.192 -11.910 -1.578 650 H VAL 78 H VAL 78 -8.703 -8.999 0.209 651 HA VAL 78 HA VAL 78 -6.016 -8.312 -0.975 652 HB VAL 78 HB VAL 78 -6.144 -10.279 1.287 653 HG11 VAL 78 HG11 VAL 78 -4.073 -8.169 0.628 654 HG12 VAL 78 HG12 VAL 78 -3.910 -9.653 1.612 655 HG13 VAL 78 HG13 VAL 78 -4.177 -9.751 -0.133 656 HG21 VAL 78 HG21 VAL 78 -5.674 -8.465 2.967 657 HG22 VAL 78 HG22 VAL 78 -6.037 -7.219 1.743 658 HG23 VAL 78 HG23 VAL 78 -7.308 -8.291 2.349 659 H LEU 79 H LEU 79 -6.441 -9.232 -2.929 660 HA LEU 79 HA LEU 79 -7.770 -11.740 -3.176 661 HB2 LEU 79 HB2 LEU 79 -5.987 -10.251 -5.139 662 HB3 LEU 79 HB3 LEU 79 -6.818 -11.757 -5.500 663 HG LEU 79 HG LEU 79 -8.087 -9.053 -4.960 664 HD11 LEU 79 HD11 LEU 79 -7.303 -9.512 -7.210 665 HD12 LEU 79 HD12 LEU 79 -9.070 -9.446 -7.171 666 HD13 LEU 79 HD13 LEU 79 -8.240 -11.016 -7.258 667 HD21 LEU 79 HD21 LEU 79 -9.486 -10.563 -3.727 668 HD22 LEU 79 HD22 LEU 79 -9.466 -11.739 -5.056 669 HD23 LEU 79 HD23 LEU 79 -10.285 -10.161 -5.249 670 H GLU 80 H GLU 80 -4.352 -10.911 -2.675 671 HA GLU 80 HA GLU 80 -3.932 -13.799 -2.333 672 HB2 GLU 80 HB2 GLU 80 -1.869 -11.930 -3.609 673 HB3 GLU 80 HB3 GLU 80 -1.706 -13.653 -3.422 674 HG2 GLU 80 HG2 GLU 80 -3.496 -13.989 -5.119 675 HG3 GLU 80 HG3 GLU 80 -3.649 -12.251 -5.299 676 HA PRO 81 HA PRO 81 -2.393 -12.434 1.526 677 HB2 PRO 81 HB2 PRO 81 -0.546 -14.375 2.195 678 HB3 PRO 81 HB3 PRO 81 -2.317 -14.617 2.218 679 HG2 PRO 81 HG2 PRO 81 -0.364 -15.313 -0.008 680 HG3 PRO 81 HG3 PRO 81 -1.624 -16.359 0.716 681 HD2 PRO 81 HD2 PRO 81 -2.105 -15.048 -1.570 682 HD3 PRO 81 HD3 PRO 81 -3.375 -15.133 -0.317 683 H VAL 82 H VAL 82 -1.503 -10.527 0.913 684 HA VAL 82 HA VAL 82 0.913 -10.270 -0.547 685 HB VAL 82 HB VAL 82 -1.180 -8.867 -0.642 686 HG11 VAL 82 HG11 VAL 82 -0.144 -7.553 1.895 687 HG12 VAL 82 HG12 VAL 82 -1.585 -7.096 0.944 688 HG13 VAL 82 HG13 VAL 82 -1.552 -8.632 1.809 689 HG21 VAL 82 HG21 VAL 82 1.391 -7.290 -0.264 690 HG22 VAL 82 HG22 VAL 82 0.689 -7.937 -1.765 691 HG23 VAL 82 HG23 VAL 82 -0.123 -6.647 -0.918 692 H ARG 83 H ARG 83 2.835 -9.058 0.057 693 HA ARG 83 HA ARG 83 3.240 -8.588 2.969 694 HB2 ARG 83 HB2 ARG 83 4.568 -10.600 1.796 695 HB3 ARG 83 HB3 ARG 83 5.613 -9.288 1.235 696 HG2 ARG 83 HG2 ARG 83 6.002 -8.649 3.623 697 HG3 ARG 83 HG3 ARG 83 4.905 -9.947 4.111 698 HD2 ARG 83 HD2 ARG 83 6.441 -11.531 2.739 699 HD3 ARG 83 HD3 ARG 83 7.619 -10.225 2.731 700 HE ARG 83 HE ARG 83 8.158 -10.837 4.892 701 HH11 ARG 83 HH11 ARG 83 5.115 -12.457 4.029 702 HH12 ARG 83 HH12 ARG 83 4.769 -12.935 5.664 703 HH21 ARG 83 HH21 ARG 83 7.793 -11.726 7.075 704 HH22 ARG 83 HH22 ARG 83 6.233 -12.402 7.371 705 H LYS 84 H LYS 84 3.965 -6.468 3.301 706 HA LYS 84 HA LYS 84 5.420 -5.174 1.143 707 HB2 LYS 84 HB2 LYS 84 4.072 -3.413 0.669 708 HB3 LYS 84 HB3 LYS 84 2.880 -4.663 0.824 709 HG2 LYS 84 HG2 LYS 84 3.482 -2.346 2.684 710 HG3 LYS 84 HG3 LYS 84 2.055 -2.633 1.698 711 HD2 LYS 84 HD2 LYS 84 1.773 -4.775 3.236 712 HD3 LYS 84 HD3 LYS 84 2.870 -3.869 4.286 713 HE2 LYS 84 HE2 LYS 84 0.834 -3.115 5.100 714 HE3 LYS 84 HE3 LYS 84 1.253 -1.866 3.933 715 HZ1 LYS 84 HZ1 LYS 84 -0.125 -3.656 2.460 716 HZ2 LYS 84 HZ2 LYS 84 -0.732 -2.281 3.106 717 HZ3 LYS 84 HZ3 LYS 84 -0.912 -3.733 3.901 718 H HIS 85 H HIS 85 6.674 -3.472 1.869 719 HA HIS 85 HA HIS 85 7.034 -3.219 4.804 720 HB2 HIS 85 HB2 HIS 85 8.627 -2.411 2.352 721 HB3 HIS 85 HB3 HIS 85 8.868 -1.584 3.890 722 HD1 HIS 85 HD1 HIS 85 10.395 -4.487 2.211 723 HD2 HIS 85 HD2 HIS 85 9.137 -3.377 6.054 724 HE1 HIS 85 HE1 HIS 85 11.468 -6.132 3.866 725 H TYR 86 H TYR 86 5.974 -1.514 5.822 726 HA TYR 86 HA TYR 86 4.814 0.606 4.081 727 HB2 TYR 86 HB2 TYR 86 2.941 0.855 5.454 728 HB3 TYR 86 HB3 TYR 86 3.032 -0.877 5.118 729 HD1 TYR 86 HD1 TYR 86 3.977 -2.413 6.998 730 HD2 TYR 86 HD2 TYR 86 2.887 1.731 7.662 731 HE1 TYR 86 HE1 TYR 86 3.817 -2.840 9.423 732 HE2 TYR 86 HE2 TYR 86 2.818 1.320 10.082 733 HH TYR 86 HH TYR 86 2.767 -1.797 11.529 734 H ASN 87 H ASN 87 4.864 2.749 5.093 735 HA ASN 87 HA ASN 87 6.218 2.953 7.677 736 HB2 ASN 87 HB2 ASN 87 8.133 2.937 6.235 737 HB3 ASN 87 HB3 ASN 87 7.449 4.250 5.208 738 HD21 ASN 87 HD21 ASN 87 8.257 6.307 5.822 739 HD22 ASN 87 HD22 ASN 87 8.623 6.700 7.512 740 H LEU 88 H LEU 88 4.954 4.197 8.737 741 HA LEU 88 HA LEU 88 3.195 6.271 7.735 742 HB2 LEU 88 HB2 LEU 88 4.275 5.693 10.523 743 HB3 LEU 88 HB3 LEU 88 2.943 6.780 10.153 744 HG LEU 88 HG LEU 88 2.885 3.768 9.599 745 HD11 LEU 88 HD11 LEU 88 1.467 3.627 11.617 746 HD12 LEU 88 HD12 LEU 88 1.737 5.358 11.926 747 HD13 LEU 88 HD13 LEU 88 3.104 4.216 11.995 748 HD21 LEU 88 HD21 LEU 88 0.640 5.833 9.662 749 HD22 LEU 88 HD22 LEU 88 0.477 4.081 9.415 750 HD23 LEU 88 HD23 LEU 88 1.309 5.056 8.216 751 H PHE 89 H PHE 89 3.788 8.623 7.756 752 HA PHE 89 HA PHE 89 6.304 9.297 9.078 753 HB2 PHE 89 HB2 PHE 89 7.302 10.422 7.192 754 HB3 PHE 89 HB3 PHE 89 7.135 8.705 6.906 755 HD1 PHE 89 HD1 PHE 89 5.249 7.878 5.381 756 HD2 PHE 89 HD2 PHE 89 6.447 12.011 5.626 757 HE1 PHE 89 HE1 PHE 89 4.391 8.258 3.092 758 HE2 PHE 89 HE2 PHE 89 5.588 12.400 3.333 759 HZ PHE 89 HZ PHE 89 4.583 10.515 2.041 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -5.024 16.159 -2.202 2 HA MET 1 HA MET 1 -4.514 14.792 0.364 3 HB2 MET 1 HB2 MET 1 -7.056 16.068 -0.707 4 HB3 MET 1 HB3 MET 1 -6.816 15.435 0.912 5 HG2 MET 1 HG2 MET 1 -5.569 17.254 1.621 6 HG3 MET 1 HG3 MET 1 -4.975 17.622 0.007 7 HE1 MET 1 HE1 MET 1 -8.795 17.120 1.185 8 HE2 MET 1 HE2 MET 1 -7.906 17.912 2.502 9 HE3 MET 1 HE3 MET 1 -9.138 18.816 1.599 10 H GLU 2 H GLU 2 -4.030 13.055 -1.896 11 HA GLU 2 HA GLU 2 -6.307 11.247 -1.802 12 HB2 GLU 2 HB2 GLU 2 -5.294 12.580 -4.365 13 HB3 GLU 2 HB3 GLU 2 -6.207 11.079 -4.302 14 HG2 GLU 2 HG2 GLU 2 -7.999 12.401 -2.984 15 HG3 GLU 2 HG3 GLU 2 -7.186 13.851 -3.577 16 H VAL 3 H VAL 3 -5.578 9.173 -3.030 17 HA VAL 3 HA VAL 3 -2.899 8.432 -2.163 18 HB VAL 3 HB VAL 3 -4.618 6.791 -1.880 19 HG11 VAL 3 HG11 VAL 3 -5.449 7.217 -4.697 20 HG12 VAL 3 HG12 VAL 3 -5.932 5.813 -3.704 21 HG13 VAL 3 HG13 VAL 3 -6.385 7.433 -3.204 22 HG21 VAL 3 HG21 VAL 3 -3.080 5.864 -4.315 23 HG22 VAL 3 HG22 VAL 3 -2.443 5.893 -2.649 24 HG23 VAL 3 HG23 VAL 3 -3.817 4.862 -3.057 25 H LYS 4 H LYS 4 -1.091 8.507 -3.240 26 HA LYS 4 HA LYS 4 -1.138 8.556 -6.223 27 HB2 LYS 4 HB2 LYS 4 0.541 9.943 -4.338 28 HB3 LYS 4 HB3 LYS 4 1.521 8.686 -5.012 29 HG2 LYS 4 HG2 LYS 4 0.096 10.915 -6.498 30 HG3 LYS 4 HG3 LYS 4 1.819 10.695 -6.305 31 HD2 LYS 4 HD2 LYS 4 1.671 8.644 -7.795 32 HD3 LYS 4 HD3 LYS 4 -0.059 9.031 -8.049 33 HE2 LYS 4 HE2 LYS 4 0.681 11.403 -8.626 34 HE3 LYS 4 HE3 LYS 4 2.338 10.803 -8.652 35 HZ1 LYS 4 HZ1 LYS 4 1.688 9.348 -10.507 36 HZ2 LYS 4 HZ2 LYS 4 1.397 10.926 -10.804 37 HZ3 LYS 4 HZ3 LYS 4 0.146 9.932 -10.451 38 H ILE 5 H ILE 5 -0.201 6.715 -7.235 39 HA ILE 5 HA ILE 5 1.146 4.682 -5.600 40 HB ILE 5 HB ILE 5 -1.101 4.299 -7.594 41 HG12 ILE 5 HG12 ILE 5 -0.840 2.645 -5.084 42 HG13 ILE 5 HG13 ILE 5 -1.365 4.307 -4.902 43 HG21 ILE 5 HG21 ILE 5 0.681 2.828 -8.334 44 HG22 ILE 5 HG22 ILE 5 0.891 2.222 -6.685 45 HG23 ILE 5 HG23 ILE 5 -0.604 1.890 -7.590 46 HD11 ILE 5 HD11 ILE 5 -3.312 2.861 -5.121 47 HD12 ILE 5 HD12 ILE 5 -3.170 3.926 -6.542 48 HD13 ILE 5 HD13 ILE 5 -2.699 2.209 -6.655 49 H GLU 6 H GLU 6 2.957 3.876 -6.747 50 HA GLU 6 HA GLU 6 3.290 4.633 -9.543 51 HB2 GLU 6 HB2 GLU 6 5.247 6.096 -9.323 52 HB3 GLU 6 HB3 GLU 6 3.866 6.840 -8.526 53 HG2 GLU 6 HG2 GLU 6 4.769 6.529 -6.381 54 HG3 GLU 6 HG3 GLU 6 5.764 5.162 -6.868 55 H LYS 7 H LYS 7 5.769 4.452 -10.259 56 HA LYS 7 HA LYS 7 6.647 1.822 -9.241 57 HB2 LYS 7 HB2 LYS 7 6.961 2.396 -12.138 58 HB3 LYS 7 HB3 LYS 7 6.925 0.875 -11.202 59 HG2 LYS 7 HG2 LYS 7 4.511 2.573 -11.785 60 HG3 LYS 7 HG3 LYS 7 4.992 1.108 -12.633 61 HD2 LYS 7 HD2 LYS 7 4.423 -0.319 -10.910 62 HD3 LYS 7 HD3 LYS 7 4.848 0.891 -9.706 63 HE2 LYS 7 HE2 LYS 7 2.569 0.745 -9.521 64 HE3 LYS 7 HE3 LYS 7 2.843 2.241 -10.399 65 HZ1 LYS 7 HZ1 LYS 7 2.048 -0.351 -11.618 66 HZ2 LYS 7 HZ2 LYS 7 2.212 1.109 -12.437 67 HZ3 LYS 7 HZ3 LYS 7 1.067 0.878 -11.297 68 HA PRO 8 HA PRO 8 10.167 4.753 -9.003 69 HB2 PRO 8 HB2 PRO 8 11.056 4.086 -6.510 70 HB3 PRO 8 HB3 PRO 8 9.625 5.123 -6.786 71 HG2 PRO 8 HG2 PRO 8 9.623 2.145 -6.162 72 HG3 PRO 8 HG3 PRO 8 8.675 3.474 -5.458 73 HD2 PRO 8 HD2 PRO 8 7.861 1.759 -7.476 74 HD3 PRO 8 HD3 PRO 8 7.183 3.393 -7.273 75 H THR 9 H THR 9 12.596 4.284 -8.583 76 HA THR 9 HA THR 9 13.287 1.817 -9.966 77 HB THR 9 HB THR 9 15.530 2.673 -9.982 78 HG1 THR 9 HG1 THR 9 16.095 4.578 -8.985 79 HG21 THR 9 HG21 THR 9 15.210 4.647 -11.252 80 HG22 THR 9 HG22 THR 9 13.729 5.084 -10.370 81 HG23 THR 9 HG23 THR 9 13.736 3.699 -11.484 82 HA PRO 10 HA PRO 10 14.000 -0.607 -6.411 83 HB2 PRO 10 HB2 PRO 10 16.097 -2.239 -7.166 84 HB3 PRO 10 HB3 PRO 10 14.403 -2.377 -7.738 85 HG2 PRO 10 HG2 PRO 10 16.725 -0.989 -9.124 86 HG3 PRO 10 HG3 PRO 10 15.548 -2.136 -9.845 87 HD2 PRO 10 HD2 PRO 10 15.233 0.502 -10.131 88 HD3 PRO 10 HD3 PRO 10 13.825 -0.565 -9.848 89 H GLU 11 H GLU 11 16.830 1.059 -7.817 90 HA GLU 11 HA GLU 11 18.562 0.967 -5.621 91 HB2 GLU 11 HB2 GLU 11 18.169 3.174 -7.688 92 HB3 GLU 11 HB3 GLU 11 19.513 3.071 -6.534 93 HG2 GLU 11 HG2 GLU 11 19.888 0.674 -7.519 94 HG3 GLU 11 HG3 GLU 11 18.890 1.244 -8.870 95 H LYS 12 H LYS 12 16.098 3.489 -6.393 96 HA LYS 12 HA LYS 12 16.521 5.093 -4.135 97 HB2 LYS 12 HB2 LYS 12 15.002 5.466 -6.259 98 HB3 LYS 12 HB3 LYS 12 13.781 4.580 -5.364 99 HG2 LYS 12 HG2 LYS 12 13.184 6.585 -4.500 100 HG3 LYS 12 HG3 LYS 12 14.578 6.414 -3.444 101 HD2 LYS 12 HD2 LYS 12 15.940 7.634 -5.262 102 HD3 LYS 12 HD3 LYS 12 14.380 7.946 -6.059 103 HE2 LYS 12 HE2 LYS 12 13.660 8.864 -3.704 104 HE3 LYS 12 HE3 LYS 12 15.397 8.935 -3.381 105 HZ1 LYS 12 HZ1 LYS 12 15.575 10.361 -5.404 106 HZ2 LYS 12 HZ2 LYS 12 14.655 11.035 -4.217 107 HZ3 LYS 12 HZ3 LYS 12 13.927 10.368 -5.513 108 H LEU 13 H LEU 13 14.519 2.177 -4.518 109 HA LEU 13 HA LEU 13 13.240 2.300 -1.958 110 HB2 LEU 13 HB2 LEU 13 13.648 0.165 -4.050 111 HB3 LEU 13 HB3 LEU 13 13.159 -0.343 -2.445 112 HG LEU 13 HG LEU 13 11.290 -0.046 -4.054 113 HD11 LEU 13 HD11 LEU 13 10.871 0.087 -1.626 114 HD12 LEU 13 HD12 LEU 13 9.765 1.062 -2.602 115 HD13 LEU 13 HD13 LEU 13 11.071 1.866 -1.708 116 HD21 LEU 13 HD21 LEU 13 11.789 1.822 -5.361 117 HD22 LEU 13 HD22 LEU 13 12.095 2.897 -3.973 118 HD23 LEU 13 HD23 LEU 13 10.477 2.370 -4.285 119 H LYS 14 H LYS 14 16.387 0.866 -2.961 120 HA LYS 14 HA LYS 14 16.878 -0.294 -0.366 121 HB2 LYS 14 HB2 LYS 14 18.504 0.245 -2.800 122 HB3 LYS 14 HB3 LYS 14 19.352 0.105 -1.259 123 HG2 LYS 14 HG2 LYS 14 19.226 -2.082 -2.298 124 HG3 LYS 14 HG3 LYS 14 18.275 -2.055 -0.819 125 HD2 LYS 14 HD2 LYS 14 16.228 -2.154 -1.954 126 HD3 LYS 14 HD3 LYS 14 16.939 -1.560 -3.448 127 HE2 LYS 14 HE2 LYS 14 16.387 -3.848 -3.782 128 HE3 LYS 14 HE3 LYS 14 18.137 -3.659 -3.810 129 HZ1 LYS 14 HZ1 LYS 14 18.211 -4.542 -1.566 130 HZ2 LYS 14 HZ2 LYS 14 17.403 -5.579 -2.570 131 HZ3 LYS 14 HZ3 LYS 14 16.568 -4.684 -1.506 132 H GLU 15 H GLU 15 17.628 2.907 -1.819 133 HA GLU 15 HA GLU 15 19.147 3.864 0.360 134 HB2 GLU 15 HB2 GLU 15 17.481 5.582 -1.525 135 HB3 GLU 15 HB3 GLU 15 18.864 6.082 -0.554 136 HG2 GLU 15 HG2 GLU 15 19.916 3.960 -1.988 137 HG3 GLU 15 HG3 GLU 15 18.775 4.642 -3.142 138 H LEU 16 H LEU 16 15.716 4.189 -0.291 139 HA LEU 16 HA LEU 16 14.830 5.754 1.891 140 HB2 LEU 16 HB2 LEU 16 13.650 3.766 0.013 141 HB3 LEU 16 HB3 LEU 16 12.834 3.840 1.562 142 HG LEU 16 HG LEU 16 12.207 6.083 1.357 143 HD11 LEU 16 HD11 LEU 16 12.725 7.428 -0.668 144 HD12 LEU 16 HD12 LEU 16 13.938 6.217 -1.142 145 HD13 LEU 16 HD13 LEU 16 14.132 7.158 0.357 146 HD21 LEU 16 HD21 LEU 16 10.910 4.355 0.085 147 HD22 LEU 16 HD22 LEU 16 11.875 4.735 -1.364 148 HD23 LEU 16 HD23 LEU 16 10.815 5.967 -0.648 149 H SER 17 H SER 17 16.239 2.670 2.063 150 HA SER 17 HA SER 17 16.598 1.147 3.672 151 HB2 SER 17 HB2 SER 17 16.064 3.424 5.602 152 HB3 SER 17 HB3 SER 17 16.997 1.955 5.906 153 HG SER 17 HG SER 17 17.579 3.819 3.828 154 H VAL 18 H VAL 18 14.148 1.079 2.516 155 HA VAL 18 HA VAL 18 11.877 0.730 4.106 156 HB VAL 18 HB VAL 18 12.679 -0.772 1.589 157 HG11 VAL 18 HG11 VAL 18 10.712 -1.729 2.587 158 HG12 VAL 18 HG12 VAL 18 9.945 -0.122 2.708 159 HG13 VAL 18 HG13 VAL 18 10.268 -0.853 1.118 160 HG21 VAL 18 HG21 VAL 18 12.893 1.653 1.218 161 HG22 VAL 18 HG22 VAL 18 11.477 1.043 0.393 162 HG23 VAL 18 HG23 VAL 18 11.293 1.925 1.926 163 H GLU 19 H GLU 19 14.666 -1.362 3.599 164 HA GLU 19 HA GLU 19 13.720 -3.742 4.817 165 HB2 GLU 19 HB2 GLU 19 16.130 -4.153 5.254 166 HB3 GLU 19 HB3 GLU 19 15.793 -3.672 3.586 167 HG2 GLU 19 HG2 GLU 19 16.553 -1.372 4.030 168 HG3 GLU 19 HG3 GLU 19 16.732 -1.738 5.737 169 H LYS 20 H LYS 20 14.234 -0.641 6.309 170 HA LYS 20 HA LYS 20 14.421 -1.801 9.036 171 HB2 LYS 20 HB2 LYS 20 14.826 1.104 8.205 172 HB3 LYS 20 HB3 LYS 20 15.197 0.350 9.762 173 HG2 LYS 20 HG2 LYS 20 16.702 -1.255 8.461 174 HG3 LYS 20 HG3 LYS 20 16.517 -0.133 7.091 175 HD2 LYS 20 HD2 LYS 20 17.816 1.515 8.040 176 HD3 LYS 20 HD3 LYS 20 17.576 0.913 9.699 177 HE2 LYS 20 HE2 LYS 20 19.050 -0.869 9.452 178 HE3 LYS 20 HE3 LYS 20 18.765 -0.996 7.714 179 HZ1 LYS 20 HZ1 LYS 20 20.966 -0.267 8.347 180 HZ2 LYS 20 HZ2 LYS 20 20.367 1.174 8.876 181 HZ3 LYS 20 HZ3 LYS 20 20.208 0.716 7.268 182 H TRP 21 H TRP 21 12.070 -0.868 6.873 183 HA TRP 21 HA TRP 21 10.370 0.651 8.679 184 HB2 TRP 21 HB2 TRP 21 9.857 -0.590 5.945 185 HB3 TRP 21 HB3 TRP 21 8.747 0.422 6.802 186 HD1 TRP 21 HD1 TRP 21 12.219 1.815 7.111 187 HE1 TRP 21 HE1 TRP 21 12.560 3.745 5.611 188 HE3 TRP 21 HE3 TRP 21 8.015 1.307 4.205 189 HZ2 TRP 21 HZ2 TRP 21 11.298 4.938 3.304 190 HZ3 TRP 21 HZ3 TRP 21 7.542 2.947 2.436 191 HH2 TRP 21 HH2 TRP 21 9.194 4.809 1.953 192 HA PRO 22 HA PRO 22 8.352 -3.104 10.200 193 HB2 PRO 22 HB2 PRO 22 5.698 -2.474 10.326 194 HB3 PRO 22 HB3 PRO 22 6.917 -1.794 11.443 195 HG2 PRO 22 HG2 PRO 22 5.810 -0.516 8.930 196 HG3 PRO 22 HG3 PRO 22 5.958 0.199 10.568 197 HD2 PRO 22 HD2 PRO 22 7.828 0.663 8.679 198 HD3 PRO 22 HD3 PRO 22 8.314 0.378 10.363 199 H ILE 23 H ILE 23 7.564 -5.008 9.343 200 HA ILE 23 HA ILE 23 6.557 -5.061 6.562 201 HB ILE 23 HB ILE 23 7.367 -7.233 8.551 202 HG12 ILE 23 HG12 ILE 23 8.469 -6.427 5.826 203 HG13 ILE 23 HG13 ILE 23 9.218 -6.022 7.352 204 HG21 ILE 23 HG21 ILE 23 6.153 -7.613 5.778 205 HG22 ILE 23 HG22 ILE 23 6.892 -8.899 6.761 206 HG23 ILE 23 HG23 ILE 23 5.447 -8.120 7.328 207 HD11 ILE 23 HD11 ILE 23 9.510 -8.504 7.787 208 HD12 ILE 23 HD12 ILE 23 9.012 -8.774 6.099 209 HD13 ILE 23 HD13 ILE 23 10.452 -7.815 6.454 210 H TRP 24 H TRP 24 4.425 -5.815 6.157 211 HA TRP 24 HA TRP 24 2.872 -6.794 8.411 212 HB2 TRP 24 HB2 TRP 24 2.103 -4.527 8.303 213 HB3 TRP 24 HB3 TRP 24 1.889 -4.614 6.574 214 HD1 TRP 24 HD1 TRP 24 0.089 -4.876 9.728 215 HE1 TRP 24 HE1 TRP 24 -2.383 -5.313 9.298 216 HE3 TRP 24 HE3 TRP 24 0.392 -6.537 4.878 217 HZ2 TRP 24 HZ2 TRP 24 -4.061 -6.108 7.067 218 HZ3 TRP 24 HZ3 TRP 24 -1.672 -6.914 3.589 219 HH2 TRP 24 HH2 TRP 24 -3.872 -6.684 4.630 220 H GLU 25 H GLU 25 1.805 -8.578 7.789 221 HA GLU 25 HA GLU 25 1.437 -9.318 4.950 222 HB2 GLU 25 HB2 GLU 25 1.644 -11.717 5.942 223 HB3 GLU 25 HB3 GLU 25 3.090 -10.812 5.530 224 HG2 GLU 25 HG2 GLU 25 3.788 -10.576 7.667 225 HG3 GLU 25 HG3 GLU 25 2.146 -10.483 8.344 226 H LYS 26 H LYS 26 -0.517 -10.666 4.589 227 HA LYS 26 HA LYS 26 -2.201 -11.248 6.853 228 HB2 LYS 26 HB2 LYS 26 -2.605 -8.781 6.011 229 HB3 LYS 26 HB3 LYS 26 -3.637 -9.561 4.812 230 HG2 LYS 26 HG2 LYS 26 -4.125 -10.577 7.545 231 HG3 LYS 26 HG3 LYS 26 -4.139 -8.820 7.524 232 HD2 LYS 26 HD2 LYS 26 -5.872 -8.902 5.697 233 HD3 LYS 26 HD3 LYS 26 -5.916 -10.658 5.881 234 HE2 LYS 26 HE2 LYS 26 -6.110 -9.949 8.489 235 HE3 LYS 26 HE3 LYS 26 -6.707 -8.457 7.807 236 HZ1 LYS 26 HZ1 LYS 26 -8.448 -10.080 8.400 237 HZ2 LYS 26 HZ2 LYS 26 -7.874 -11.165 7.365 238 HZ3 LYS 26 HZ3 LYS 26 -8.541 -9.780 6.784 239 H GLU 27 H GLU 27 -4.109 -12.406 6.190 240 HA GLU 27 HA GLU 27 -3.717 -14.352 4.112 241 HB2 GLU 27 HB2 GLU 27 -5.281 -13.928 6.405 242 HB3 GLU 27 HB3 GLU 27 -6.437 -14.222 5.167 243 HG2 GLU 27 HG2 GLU 27 -4.085 -16.060 5.821 244 HG3 GLU 27 HG3 GLU 27 -5.705 -16.170 6.553 245 H VAL 28 H VAL 28 -5.699 -14.795 2.907 246 HA VAL 28 HA VAL 28 -6.012 -12.813 0.813 247 HB VAL 28 HB VAL 28 -6.831 -15.747 1.111 248 HG11 VAL 28 HG11 VAL 28 -6.608 -15.670 -1.467 249 HG12 VAL 28 HG12 VAL 28 -8.075 -15.000 -0.766 250 HG13 VAL 28 HG13 VAL 28 -6.782 -13.909 -1.307 251 HG21 VAL 28 HG21 VAL 28 -4.407 -14.376 -0.117 252 HG22 VAL 28 HG22 VAL 28 -4.388 -15.316 1.378 253 HG23 VAL 28 HG23 VAL 28 -4.727 -16.127 -0.154 254 H SER 29 H SER 29 -7.151 -11.703 2.757 255 HA SER 29 HA SER 29 -10.013 -12.375 3.073 256 HB2 SER 29 HB2 SER 29 -8.330 -12.497 4.953 257 HB3 SER 29 HB3 SER 29 -8.089 -10.749 4.781 258 HG SER 29 HG SER 29 -10.444 -12.162 5.519 259 H GLU 30 H GLU 30 -10.966 -9.971 4.106 260 HA GLU 30 HA GLU 30 -10.318 -7.825 2.239 261 HB2 GLU 30 HB2 GLU 30 -12.666 -7.569 1.532 262 HB3 GLU 30 HB3 GLU 30 -11.885 -8.996 0.866 263 HG2 GLU 30 HG2 GLU 30 -13.493 -10.337 1.675 264 HG3 GLU 30 HG3 GLU 30 -13.280 -9.745 3.318 265 H PHE 31 H PHE 31 -10.652 -5.889 3.158 266 HA PHE 31 HA PHE 31 -12.342 -5.544 5.511 267 HB2 PHE 31 HB2 PHE 31 -10.522 -4.864 7.011 268 HB3 PHE 31 HB3 PHE 31 -10.422 -6.548 6.581 269 HD1 PHE 31 HD1 PHE 31 -8.624 -7.396 5.108 270 HD2 PHE 31 HD2 PHE 31 -8.759 -3.262 6.330 271 HE1 PHE 31 HE1 PHE 31 -6.235 -7.131 4.507 272 HE2 PHE 31 HE2 PHE 31 -6.394 -2.989 5.693 273 HZ PHE 31 HZ PHE 31 -5.124 -4.900 4.792 274 H ASP 32 H ASP 32 -11.208 -3.047 6.400 275 HA ASP 32 HA ASP 32 -10.879 -1.436 4.015 276 HB2 ASP 32 HB2 ASP 32 -12.608 0.055 4.560 277 HB3 ASP 32 HB3 ASP 32 -13.364 -1.506 4.768 278 H TRP 33 H TRP 33 -9.859 0.569 4.470 279 HA TRP 33 HA TRP 33 -8.442 0.705 7.076 280 HB2 TRP 33 HB2 TRP 33 -7.117 -0.269 4.994 281 HB3 TRP 33 HB3 TRP 33 -7.048 1.403 4.486 282 HD1 TRP 33 HD1 TRP 33 -5.116 2.799 5.549 283 HE1 TRP 33 HE1 TRP 33 -3.267 2.356 7.258 284 HE3 TRP 33 HE3 TRP 33 -7.058 -1.420 7.666 285 HZ2 TRP 33 HZ2 TRP 33 -2.775 0.450 9.397 286 HZ3 TRP 33 HZ3 TRP 33 -5.983 -2.432 9.644 287 HH2 TRP 33 HH2 TRP 33 -3.829 -1.500 10.519 288 H TYR 34 H TYR 34 -8.349 2.685 7.944 289 HA TYR 34 HA TYR 34 -9.216 5.026 6.341 290 HB2 TYR 34 HB2 TYR 34 -10.566 4.298 8.390 291 HB3 TYR 34 HB3 TYR 34 -9.186 4.775 9.359 292 HD1 TYR 34 HD1 TYR 34 -8.261 7.326 8.652 293 HD2 TYR 34 HD2 TYR 34 -12.296 5.822 8.262 294 HE1 TYR 34 HE1 TYR 34 -9.101 9.615 8.807 295 HE2 TYR 34 HE2 TYR 34 -13.167 8.111 8.518 296 HH TYR 34 HH TYR 34 -11.049 10.845 9.345 297 H TYR 35 H TYR 35 -7.445 6.045 5.631 298 HA TYR 35 HA TYR 35 -4.851 5.886 7.031 299 HB2 TYR 35 HB2 TYR 35 -5.763 7.335 4.511 300 HB3 TYR 35 HB3 TYR 35 -4.123 7.315 5.152 301 HD1 TYR 35 HD1 TYR 35 -2.764 5.370 5.127 302 HD2 TYR 35 HD2 TYR 35 -6.749 5.207 3.547 303 HE1 TYR 35 HE1 TYR 35 -2.198 3.245 3.960 304 HE2 TYR 35 HE2 TYR 35 -6.233 3.029 2.447 305 HH TYR 35 HH TYR 35 -3.296 1.301 3.120 306 H ASP 36 H ASP 36 -4.467 7.341 8.619 307 HA ASP 36 HA ASP 36 -5.905 9.979 8.557 308 HB2 ASP 36 HB2 ASP 36 -6.710 8.249 10.279 309 HB3 ASP 36 HB3 ASP 36 -5.169 8.557 11.097 310 H THR 37 H THR 37 -2.989 8.656 8.018 311 HA THR 37 HA THR 37 -1.718 11.189 8.181 312 HB THR 37 HB THR 37 0.395 9.671 9.190 313 HG1 THR 37 HG1 THR 37 -0.804 8.203 10.186 314 HG21 THR 37 HG21 THR 37 -0.003 12.057 9.411 315 HG22 THR 37 HG22 THR 37 0.227 11.361 11.005 316 HG23 THR 37 HG23 THR 37 -1.426 11.778 10.427 317 H ASN 38 H ASN 38 0.686 10.729 7.278 318 HA ASN 38 HA ASN 38 0.069 9.917 4.558 319 HB2 ASN 38 HB2 ASN 38 2.786 10.353 5.809 320 HB3 ASN 38 HB3 ASN 38 2.363 10.520 4.103 321 HD21 ASN 38 HD21 ASN 38 2.587 12.073 7.207 322 HD22 ASN 38 HD22 ASN 38 2.037 13.668 6.713 323 H GLU 39 H GLU 39 0.529 7.851 3.699 324 HA GLU 39 HA GLU 39 1.988 5.929 5.434 325 HB2 GLU 39 HB2 GLU 39 -0.527 5.993 5.832 326 HB3 GLU 39 HB3 GLU 39 -0.716 5.321 4.212 327 HG2 GLU 39 HG2 GLU 39 0.338 3.292 4.781 328 HG3 GLU 39 HG3 GLU 39 1.138 3.964 6.190 329 H THR 40 H THR 40 3.649 5.489 4.138 330 HA THR 40 HA THR 40 3.250 5.309 1.247 331 HB THR 40 HB THR 40 5.698 4.813 3.002 332 HG1 THR 40 HG1 THR 40 5.049 6.972 2.864 333 HG21 THR 40 HG21 THR 40 5.554 5.106 -0.039 334 HG22 THR 40 HG22 THR 40 5.870 3.577 0.800 335 HG23 THR 40 HG23 THR 40 7.026 4.911 0.929 336 H CYS 41 H CYS 41 2.985 2.930 0.117 337 HA CYS 41 HA CYS 41 4.520 1.224 1.934 338 HB2 CYS 41 HB2 CYS 41 3.109 -0.792 1.589 339 HB3 CYS 41 HB3 CYS 41 2.512 0.393 2.745 340 HG CYS 41 HG CYS 41 1.597 0.231 -0.405 341 H TYR 42 H TYR 42 5.420 -0.616 0.919 342 HA TYR 42 HA TYR 42 5.542 -0.473 -2.047 343 HB2 TYR 42 HB2 TYR 42 7.634 0.400 -1.075 344 HB3 TYR 42 HB3 TYR 42 7.853 -1.083 -0.159 345 HD1 TYR 42 HD1 TYR 42 7.150 0.045 -3.702 346 HD2 TYR 42 HD2 TYR 42 9.232 -2.708 -1.130 347 HE1 TYR 42 HE1 TYR 42 8.282 -0.902 -5.679 348 HE2 TYR 42 HE2 TYR 42 10.377 -3.685 -3.111 349 HH TYR 42 HH TYR 42 9.972 -3.901 -5.484 350 H ILE 43 H ILE 43 4.530 -2.162 -2.712 351 HA ILE 43 HA ILE 43 3.954 -4.517 -1.067 352 HB ILE 43 HB ILE 43 3.420 -4.000 -3.973 353 HG12 ILE 43 HG12 ILE 43 2.477 -2.029 -2.961 354 HG13 ILE 43 HG13 ILE 43 1.182 -3.062 -3.482 355 HG21 ILE 43 HG21 ILE 43 2.949 -6.308 -3.166 356 HG22 ILE 43 HG22 ILE 43 1.866 -5.646 -1.949 357 HG23 ILE 43 HG23 ILE 43 1.468 -5.484 -3.678 358 HD11 ILE 43 HD11 ILE 43 0.791 -3.802 -1.155 359 HD12 ILE 43 HD12 ILE 43 2.176 -2.817 -0.613 360 HD13 ILE 43 HD13 ILE 43 0.753 -2.035 -1.268 361 H LEU 44 H LEU 44 5.238 -6.429 -1.160 362 HA LEU 44 HA LEU 44 7.391 -6.453 -3.248 363 HB2 LEU 44 HB2 LEU 44 7.438 -7.465 -0.378 364 HB3 LEU 44 HB3 LEU 44 8.664 -7.806 -1.580 365 HG LEU 44 HG LEU 44 8.314 -4.969 -1.646 366 HD11 LEU 44 HD11 LEU 44 8.733 -5.981 1.186 367 HD12 LEU 44 HD12 LEU 44 7.252 -5.211 0.588 368 HD13 LEU 44 HD13 LEU 44 8.754 -4.275 0.628 369 HD21 LEU 44 HD21 LEU 44 10.545 -6.618 -0.396 370 HD22 LEU 44 HD22 LEU 44 10.651 -4.914 -0.904 371 HD23 LEU 44 HD23 LEU 44 10.394 -6.189 -2.117 372 H GLU 45 H GLU 45 4.748 -8.285 -1.822 373 HA GLU 45 HA GLU 45 4.831 -9.969 -4.119 374 HB2 GLU 45 HB2 GLU 45 4.763 -12.115 -2.991 375 HB3 GLU 45 HB3 GLU 45 6.297 -11.300 -2.688 376 HG2 GLU 45 HG2 GLU 45 5.441 -10.564 -0.452 377 HG3 GLU 45 HG3 GLU 45 3.967 -11.492 -0.727 378 H GLY 46 H GLY 46 2.629 -11.061 -4.247 379 HA2 GLY 46 HA2 GLY 46 0.447 -11.468 -3.383 380 HA3 GLY 46 HA3 GLY 46 0.630 -10.134 -2.268 381 H LYS 47 H LYS 47 -1.661 -9.909 -3.225 382 HA LYS 47 HA LYS 47 -1.405 -7.662 -5.107 383 HB2 LYS 47 HB2 LYS 47 -2.314 -10.158 -6.089 384 HB3 LYS 47 HB3 LYS 47 -3.792 -9.270 -5.792 385 HG2 LYS 47 HG2 LYS 47 -1.406 -8.176 -7.342 386 HG3 LYS 47 HG3 LYS 47 -2.744 -9.020 -8.069 387 HD2 LYS 47 HD2 LYS 47 -3.035 -6.346 -6.703 388 HD3 LYS 47 HD3 LYS 47 -2.765 -6.629 -8.405 389 HE2 LYS 47 HE2 LYS 47 -5.074 -6.238 -8.278 390 HE3 LYS 47 HE3 LYS 47 -4.967 -8.034 -8.379 391 HZ1 LYS 47 HZ1 LYS 47 -6.508 -7.355 -6.824 392 HZ2 LYS 47 HZ2 LYS 47 -5.432 -6.373 -6.054 393 HZ3 LYS 47 HZ3 LYS 47 -5.244 -8.035 -6.015 394 H VAL 48 H VAL 48 -2.876 -6.111 -4.752 395 HA VAL 48 HA VAL 48 -5.034 -6.639 -2.762 396 HB VAL 48 HB VAL 48 -3.544 -4.018 -2.806 397 HG11 VAL 48 HG11 VAL 48 -5.172 -5.329 -0.602 398 HG12 VAL 48 HG12 VAL 48 -4.455 -3.702 -0.587 399 HG13 VAL 48 HG13 VAL 48 -5.768 -4.072 -1.700 400 HG21 VAL 48 HG21 VAL 48 -2.865 -6.450 -1.122 401 HG22 VAL 48 HG22 VAL 48 -1.788 -5.560 -2.228 402 HG23 VAL 48 HG23 VAL 48 -2.333 -4.796 -0.730 403 H GLU 49 H GLU 49 -6.987 -5.655 -3.278 404 HA GLU 49 HA GLU 49 -7.047 -3.793 -5.569 405 HB2 GLU 49 HB2 GLU 49 -8.894 -6.035 -5.005 406 HB3 GLU 49 HB3 GLU 49 -9.709 -4.465 -4.944 407 HG2 GLU 49 HG2 GLU 49 -8.620 -3.946 -7.189 408 HG3 GLU 49 HG3 GLU 49 -8.100 -5.621 -7.246 409 H VAL 50 H VAL 50 -7.590 -1.754 -4.855 410 HA VAL 50 HA VAL 50 -8.617 -1.496 -2.054 411 HB VAL 50 HB VAL 50 -6.705 0.372 -3.509 412 HG11 VAL 50 HG11 VAL 50 -6.642 1.687 -1.486 413 HG12 VAL 50 HG12 VAL 50 -8.297 1.630 -2.094 414 HG13 VAL 50 HG13 VAL 50 -7.812 0.627 -0.708 415 HG21 VAL 50 HG21 VAL 50 -5.495 -1.580 -2.698 416 HG22 VAL 50 HG22 VAL 50 -5.137 -0.210 -1.646 417 HG23 VAL 50 HG23 VAL 50 -6.287 -1.454 -1.115 418 H THR 51 H THR 51 -10.488 -0.201 -1.931 419 HA THR 51 HA THR 51 -11.469 0.934 -4.506 420 HB THR 51 HB THR 51 -13.137 -0.852 -2.715 421 HG1 THR 51 HG1 THR 51 -12.622 -2.444 -3.919 422 HG21 THR 51 HG21 THR 51 -14.447 0.810 -3.993 423 HG22 THR 51 HG22 THR 51 -14.706 -0.814 -4.646 424 HG23 THR 51 HG23 THR 51 -13.632 0.320 -5.497 425 H THR 52 H THR 52 -11.714 3.088 -4.064 426 HA THR 52 HA THR 52 -12.120 3.908 -1.275 427 HB THR 52 HB THR 52 -11.748 6.133 -2.063 428 HG1 THR 52 HG1 THR 52 -11.401 6.543 -4.228 429 HG21 THR 52 HG21 THR 52 -9.745 4.899 -1.600 430 HG22 THR 52 HG22 THR 52 -9.457 5.899 -3.015 431 HG23 THR 52 HG23 THR 52 -9.731 4.159 -3.195 432 H GLU 53 H GLU 53 -13.844 5.970 -1.221 433 HA GLU 53 HA GLU 53 -16.336 4.482 -1.292 434 HB2 GLU 53 HB2 GLU 53 -15.538 5.973 0.492 435 HB3 GLU 53 HB3 GLU 53 -15.724 7.369 -0.586 436 HG2 GLU 53 HG2 GLU 53 -18.129 7.039 -0.690 437 HG3 GLU 53 HG3 GLU 53 -18.004 5.520 0.211 438 H ASP 54 H ASP 54 -14.744 6.896 -3.292 439 HA ASP 54 HA ASP 54 -16.878 7.673 -4.991 440 HB2 ASP 54 HB2 ASP 54 -14.482 8.555 -4.928 441 HB3 ASP 54 HB3 ASP 54 -13.992 7.108 -5.814 442 H GLY 55 H GLY 55 -15.144 4.630 -4.693 443 HA2 GLY 55 HA2 GLY 55 -15.730 2.589 -5.615 444 HA3 GLY 55 HA3 GLY 55 -16.813 3.402 -6.753 445 H LYS 56 H LYS 56 -13.817 4.953 -6.792 446 HA LYS 56 HA LYS 56 -12.664 3.776 -9.146 447 HB2 LYS 56 HB2 LYS 56 -11.580 5.299 -6.744 448 HB3 LYS 56 HB3 LYS 56 -10.487 4.596 -7.935 449 HG2 LYS 56 HG2 LYS 56 -12.618 6.641 -8.624 450 HG3 LYS 56 HG3 LYS 56 -10.948 7.011 -8.190 451 HD2 LYS 56 HD2 LYS 56 -10.089 5.696 -10.069 452 HD3 LYS 56 HD3 LYS 56 -11.734 5.229 -10.520 453 HE2 LYS 56 HE2 LYS 56 -11.140 6.985 -12.002 454 HE3 LYS 56 HE3 LYS 56 -12.311 7.647 -10.851 455 HZ1 LYS 56 HZ1 LYS 56 -10.515 9.173 -11.172 456 HZ2 LYS 56 HZ2 LYS 56 -9.371 8.041 -10.789 457 HZ3 LYS 56 HZ3 LYS 56 -10.449 8.635 -9.657 458 H LYS 57 H LYS 57 -11.986 1.780 -9.311 459 HA LYS 57 HA LYS 57 -11.133 0.135 -6.978 460 HB2 LYS 57 HB2 LYS 57 -11.425 -0.364 -9.986 461 HB3 LYS 57 HB3 LYS 57 -10.304 -1.320 -9.026 462 HG2 LYS 57 HG2 LYS 57 -12.184 -2.598 -9.017 463 HG3 LYS 57 HG3 LYS 57 -12.170 -1.846 -7.430 464 HD2 LYS 57 HD2 LYS 57 -13.993 -0.345 -8.056 465 HD3 LYS 57 HD3 LYS 57 -13.825 -0.774 -9.777 466 HE2 LYS 57 HE2 LYS 57 -14.400 -3.134 -9.234 467 HE3 LYS 57 HE3 LYS 57 -14.630 -2.682 -7.541 468 HZ1 LYS 57 HZ1 LYS 57 -16.232 -1.558 -9.771 469 HZ2 LYS 57 HZ2 LYS 57 -16.526 -1.368 -8.172 470 HZ3 LYS 57 HZ3 LYS 57 -16.692 -2.843 -8.814 471 H TYR 58 H TYR 58 -8.948 -0.356 -6.738 472 HA TYR 58 HA TYR 58 -7.016 0.893 -8.553 473 HB2 TYR 58 HB2 TYR 58 -6.842 0.792 -5.531 474 HB3 TYR 58 HB3 TYR 58 -5.554 1.331 -6.576 475 HD1 TYR 58 HD1 TYR 58 -9.144 2.163 -5.709 476 HD2 TYR 58 HD2 TYR 58 -5.272 3.615 -6.837 477 HE1 TYR 58 HE1 TYR 58 -9.948 4.480 -5.469 478 HE2 TYR 58 HE2 TYR 58 -5.965 5.931 -6.273 479 HH TYR 58 HH TYR 58 -7.809 7.312 -5.547 480 H VAL 59 H VAL 59 -5.078 -0.394 -8.665 481 HA VAL 59 HA VAL 59 -5.102 -3.142 -7.474 482 HB VAL 59 HB VAL 59 -4.580 -2.242 -10.332 483 HG11 VAL 59 HG11 VAL 59 -3.937 -4.796 -8.865 484 HG12 VAL 59 HG12 VAL 59 -4.104 -4.756 -10.630 485 HG13 VAL 59 HG13 VAL 59 -2.844 -3.804 -9.838 486 HG21 VAL 59 HG21 VAL 59 -6.563 -4.211 -9.079 487 HG22 VAL 59 HG22 VAL 59 -6.965 -2.662 -9.848 488 HG23 VAL 59 HG23 VAL 59 -6.310 -3.980 -10.820 489 H ILE 60 H ILE 60 -3.088 -3.597 -6.644 490 HA ILE 60 HA ILE 60 -0.759 -2.006 -7.479 491 HB ILE 60 HB ILE 60 0.070 -2.000 -5.082 492 HG12 ILE 60 HG12 ILE 60 -2.835 -2.648 -4.454 493 HG13 ILE 60 HG13 ILE 60 -1.384 -3.513 -3.943 494 HG21 ILE 60 HG21 ILE 60 -2.323 -0.213 -5.511 495 HG22 ILE 60 HG22 ILE 60 -0.798 0.093 -4.615 496 HG23 ILE 60 HG23 ILE 60 -0.773 -0.043 -6.366 497 HD11 ILE 60 HD11 ILE 60 -0.759 -1.340 -2.680 498 HD12 ILE 60 HD12 ILE 60 -2.433 -0.839 -2.969 499 HD13 ILE 60 HD13 ILE 60 -2.104 -2.304 -2.031 500 H GLU 61 H GLU 61 0.802 -3.342 -8.129 501 HA GLU 61 HA GLU 61 0.679 -6.222 -7.494 502 HB2 GLU 61 HB2 GLU 61 2.181 -6.599 -9.266 503 HB3 GLU 61 HB3 GLU 61 0.973 -5.513 -9.905 504 HG2 GLU 61 HG2 GLU 61 2.528 -3.961 -10.443 505 HG3 GLU 61 HG3 GLU 61 3.281 -3.999 -8.860 506 H LYS 62 H LYS 62 2.941 -7.058 -7.247 507 HA LYS 62 HA LYS 62 4.251 -6.222 -4.871 508 HB2 LYS 62 HB2 LYS 62 5.627 -8.171 -5.364 509 HB3 LYS 62 HB3 LYS 62 3.919 -8.516 -5.645 510 HG2 LYS 62 HG2 LYS 62 4.496 -7.949 -8.166 511 HG3 LYS 62 HG3 LYS 62 6.164 -8.128 -7.604 512 HD2 LYS 62 HD2 LYS 62 5.624 -10.438 -6.803 513 HD3 LYS 62 HD3 LYS 62 3.994 -10.235 -7.473 514 HE2 LYS 62 HE2 LYS 62 5.410 -11.429 -9.062 515 HE3 LYS 62 HE3 LYS 62 4.921 -9.860 -9.730 516 HZ1 LYS 62 HZ1 LYS 62 7.538 -10.493 -8.515 517 HZ2 LYS 62 HZ2 LYS 62 7.103 -8.998 -9.067 518 HZ3 LYS 62 HZ3 LYS 62 7.264 -10.220 -10.121 519 H GLY 63 H GLY 63 4.409 -3.982 -6.322 520 HA2 GLY 63 HA2 GLY 63 7.125 -3.215 -6.320 521 HA3 GLY 63 HA3 GLY 63 6.693 -3.607 -7.995 522 H ASP 64 H ASP 64 3.829 -2.490 -6.514 523 HA ASP 64 HA ASP 64 4.079 0.235 -7.547 524 HB2 ASP 64 HB2 ASP 64 1.965 -1.389 -6.036 525 HB3 ASP 64 HB3 ASP 64 1.823 0.333 -6.276 526 H LEU 65 H LEU 65 5.228 1.602 -6.314 527 HA LEU 65 HA LEU 65 5.187 1.418 -3.364 528 HB2 LEU 65 HB2 LEU 65 7.245 2.237 -4.416 529 HB3 LEU 65 HB3 LEU 65 6.329 3.454 -5.288 530 HG LEU 65 HG LEU 65 5.680 4.185 -2.724 531 HD11 LEU 65 HD11 LEU 65 8.437 2.951 -2.486 532 HD12 LEU 65 HD12 LEU 65 6.950 2.442 -1.638 533 HD13 LEU 65 HD13 LEU 65 7.659 4.027 -1.305 534 HD21 LEU 65 HD21 LEU 65 7.175 5.934 -2.893 535 HD22 LEU 65 HD22 LEU 65 6.689 5.545 -4.543 536 HD23 LEU 65 HD23 LEU 65 8.288 5.032 -3.951 537 H VAL 66 H VAL 66 3.979 3.165 -2.327 538 HA VAL 66 HA VAL 66 2.077 4.752 -3.773 539 HB VAL 66 HB VAL 66 0.975 2.687 -3.805 540 HG11 VAL 66 HG11 VAL 66 0.516 1.148 -2.148 541 HG12 VAL 66 HG12 VAL 66 2.134 1.238 -2.811 542 HG13 VAL 66 HG13 VAL 66 1.822 1.959 -1.174 543 HG21 VAL 66 HG21 VAL 66 -0.993 2.966 -2.586 544 HG22 VAL 66 HG22 VAL 66 -0.108 3.955 -1.365 545 HG23 VAL 66 HG23 VAL 66 -0.421 4.570 -2.966 546 H THR 67 H THR 67 1.121 6.292 -2.525 547 HA THR 67 HA THR 67 1.883 6.555 0.292 548 HB THR 67 HB THR 67 2.260 8.733 -1.797 549 HG1 THR 67 HG1 THR 67 4.476 8.457 -1.242 550 HG21 THR 67 HG21 THR 67 2.719 8.696 1.220 551 HG22 THR 67 HG22 THR 67 1.500 9.659 0.367 552 HG23 THR 67 HG23 THR 67 3.223 10.016 0.133 553 H PHE 68 H PHE 68 -0.091 6.147 0.978 554 HA PHE 68 HA PHE 68 -2.522 7.368 -0.126 555 HB2 PHE 68 HB2 PHE 68 -1.940 5.780 2.393 556 HB3 PHE 68 HB3 PHE 68 -3.526 6.396 1.950 557 HD1 PHE 68 HD1 PHE 68 -0.865 3.945 1.033 558 HD2 PHE 68 HD2 PHE 68 -4.881 5.313 0.251 559 HE1 PHE 68 HE1 PHE 68 -1.202 2.048 -0.520 560 HE2 PHE 68 HE2 PHE 68 -5.277 3.333 -1.159 561 HZ PHE 68 HZ PHE 68 -3.470 1.660 -1.525 562 HA PRO 69 HA PRO 69 -1.480 10.956 2.177 563 HB2 PRO 69 HB2 PRO 69 -3.689 12.470 2.025 564 HB3 PRO 69 HB3 PRO 69 -2.957 11.855 0.508 565 HG2 PRO 69 HG2 PRO 69 -5.213 10.585 2.125 566 HG3 PRO 69 HG3 PRO 69 -5.221 11.090 0.427 567 HD2 PRO 69 HD2 PRO 69 -4.584 8.510 1.220 568 HD3 PRO 69 HD3 PRO 69 -3.804 9.264 -0.205 569 H LYS 70 H LYS 70 -2.375 12.371 3.782 570 HA LYS 70 HA LYS 70 -3.264 11.054 6.291 571 HB2 LYS 70 HB2 LYS 70 -1.485 12.759 6.329 572 HB3 LYS 70 HB3 LYS 70 -2.556 13.958 5.625 573 HG2 LYS 70 HG2 LYS 70 -3.927 14.038 7.638 574 HG3 LYS 70 HG3 LYS 70 -3.111 12.617 8.306 575 HD2 LYS 70 HD2 LYS 70 -0.944 13.799 8.281 576 HD3 LYS 70 HD3 LYS 70 -1.778 15.274 7.818 577 HE2 LYS 70 HE2 LYS 70 -2.767 13.709 10.221 578 HE3 LYS 70 HE3 LYS 70 -1.243 14.586 10.368 579 HZ1 LYS 70 HZ1 LYS 70 -2.298 16.602 9.890 580 HZ2 LYS 70 HZ2 LYS 70 -3.119 15.846 11.097 581 HZ3 LYS 70 HZ3 LYS 70 -3.768 15.897 9.593 582 H GLY 71 H GLY 71 -5.306 10.328 5.838 583 HA2 GLY 71 HA2 GLY 71 -7.536 10.768 6.301 584 HA3 GLY 71 HA3 GLY 71 -7.479 12.330 5.564 585 H LEU 72 H LEU 72 -7.700 8.901 5.040 586 HA LEU 72 HA LEU 72 -9.281 9.245 2.619 587 HB2 LEU 72 HB2 LEU 72 -7.056 9.061 1.675 588 HB3 LEU 72 HB3 LEU 72 -6.757 7.550 2.527 589 HG LEU 72 HG LEU 72 -9.244 7.662 0.839 590 HD11 LEU 72 HD11 LEU 72 -7.570 8.771 -0.633 591 HD12 LEU 72 HD12 LEU 72 -7.986 7.151 -1.213 592 HD13 LEU 72 HD13 LEU 72 -6.448 7.410 -0.350 593 HD21 LEU 72 HD21 LEU 72 -7.142 5.549 1.195 594 HD22 LEU 72 HD22 LEU 72 -8.659 5.451 0.266 595 HD23 LEU 72 HD23 LEU 72 -8.713 5.666 2.024 596 H ARG 73 H ARG 73 -10.909 7.648 2.613 597 HA ARG 73 HA ARG 73 -10.717 5.483 4.677 598 HB2 ARG 73 HB2 ARG 73 -12.119 7.299 5.567 599 HB3 ARG 73 HB3 ARG 73 -13.114 7.269 4.115 600 HG2 ARG 73 HG2 ARG 73 -13.753 4.880 4.650 601 HG3 ARG 73 HG3 ARG 73 -12.805 5.031 6.129 602 HD2 ARG 73 HD2 ARG 73 -14.956 5.435 6.874 603 HD3 ARG 73 HD3 ARG 73 -14.344 7.080 6.660 604 HE ARG 73 HE ARG 73 -15.548 6.611 4.258 605 HH11 ARG 73 HH11 ARG 73 -16.734 6.527 7.613 606 HH12 ARG 73 HH12 ARG 73 -18.399 6.394 7.135 607 HH21 ARG 73 HH21 ARG 73 -17.700 6.883 3.711 608 HH22 ARG 73 HH22 ARG 73 -18.956 6.870 4.900 609 H CYS 74 H CYS 74 -10.553 3.646 3.463 610 HA CYS 74 HA CYS 74 -12.454 3.245 1.222 611 HB2 CYS 74 HB2 CYS 74 -10.675 2.637 -0.282 612 HB3 CYS 74 HB3 CYS 74 -10.401 4.278 0.327 613 HG CYS 74 HG CYS 74 -8.924 3.026 2.473 614 H ARG 75 H ARG 75 -12.176 1.007 0.248 615 HA ARG 75 HA ARG 75 -11.896 -1.002 2.378 616 HB2 ARG 75 HB2 ARG 75 -13.363 -0.815 -0.157 617 HB3 ARG 75 HB3 ARG 75 -12.455 -2.303 -0.069 618 HG2 ARG 75 HG2 ARG 75 -14.006 -3.213 1.213 619 HG3 ARG 75 HG3 ARG 75 -13.591 -2.159 2.539 620 HD2 ARG 75 HD2 ARG 75 -15.475 -1.763 0.268 621 HD3 ARG 75 HD3 ARG 75 -16.012 -2.097 1.921 622 HE ARG 75 HE ARG 75 -14.811 0.460 0.872 623 HH11 ARG 75 HH11 ARG 75 -16.818 -1.052 3.408 624 HH12 ARG 75 HH12 ARG 75 -17.590 0.416 3.833 625 HH21 ARG 75 HH21 ARG 75 -15.865 2.319 1.363 626 HH22 ARG 75 HH22 ARG 75 -16.961 2.447 2.722 627 H TRP 76 H TRP 76 -10.893 -2.980 1.775 628 HA TRP 76 HA TRP 76 -8.364 -2.771 0.272 629 HB2 TRP 76 HB2 TRP 76 -8.507 -2.460 3.198 630 HB3 TRP 76 HB3 TRP 76 -7.474 -3.788 2.702 631 HD1 TRP 76 HD1 TRP 76 -7.886 -0.063 1.715 632 HE1 TRP 76 HE1 TRP 76 -5.548 0.898 1.207 633 HE3 TRP 76 HE3 TRP 76 -5.028 -4.225 2.553 634 HZ2 TRP 76 HZ2 TRP 76 -2.876 -0.072 0.868 635 HZ3 TRP 76 HZ3 TRP 76 -2.582 -4.158 2.200 636 HH2 TRP 76 HH2 TRP 76 -1.492 -2.105 1.312 637 H LYS 77 H LYS 77 -8.813 -4.455 -1.016 638 HA LYS 77 HA LYS 77 -9.911 -6.984 0.045 639 HB2 LYS 77 HB2 LYS 77 -10.769 -5.479 -2.028 640 HB3 LYS 77 HB3 LYS 77 -9.450 -6.279 -2.861 641 HG2 LYS 77 HG2 LYS 77 -11.138 -7.735 -3.348 642 HG3 LYS 77 HG3 LYS 77 -10.568 -8.483 -1.842 643 HD2 LYS 77 HD2 LYS 77 -12.383 -7.115 -0.656 644 HD3 LYS 77 HD3 LYS 77 -12.936 -6.598 -2.264 645 HE2 LYS 77 HE2 LYS 77 -13.008 -9.080 -2.882 646 HE3 LYS 77 HE3 LYS 77 -12.778 -9.441 -1.169 647 HZ1 LYS 77 HZ1 LYS 77 -15.038 -9.502 -1.719 648 HZ2 LYS 77 HZ2 LYS 77 -15.046 -7.982 -2.375 649 HZ3 LYS 77 HZ3 LYS 77 -14.836 -8.236 -0.722 650 H VAL 78 H VAL 78 -8.464 -8.748 0.176 651 HA VAL 78 HA VAL 78 -5.711 -8.381 -0.874 652 HB VAL 78 HB VAL 78 -6.329 -10.488 1.180 653 HG11 VAL 78 HG11 VAL 78 -3.977 -9.965 1.815 654 HG12 VAL 78 HG12 VAL 78 -4.214 -10.529 0.171 655 HG13 VAL 78 HG13 VAL 78 -3.919 -8.807 0.453 656 HG21 VAL 78 HG21 VAL 78 -7.279 -8.652 2.409 657 HG22 VAL 78 HG22 VAL 78 -5.634 -8.839 3.000 658 HG23 VAL 78 HG23 VAL 78 -6.055 -7.525 1.856 659 H LEU 79 H LEU 79 -5.763 -9.311 -2.852 660 HA LEU 79 HA LEU 79 -7.700 -11.528 -3.303 661 HB2 LEU 79 HB2 LEU 79 -5.807 -10.430 -5.377 662 HB3 LEU 79 HB3 LEU 79 -7.265 -11.385 -5.585 663 HG LEU 79 HG LEU 79 -7.024 -8.452 -4.838 664 HD11 LEU 79 HD11 LEU 79 -8.661 -9.887 -6.967 665 HD12 LEU 79 HD12 LEU 79 -7.038 -9.306 -7.285 666 HD13 LEU 79 HD13 LEU 79 -8.356 -8.151 -6.892 667 HD21 LEU 79 HD21 LEU 79 -9.593 -10.083 -4.773 668 HD22 LEU 79 HD22 LEU 79 -9.487 -8.317 -4.729 669 HD23 LEU 79 HD23 LEU 79 -8.838 -9.279 -3.387 670 H GLU 80 H GLU 80 -4.259 -10.935 -2.747 671 HA GLU 80 HA GLU 80 -3.880 -13.787 -2.480 672 HB2 GLU 80 HB2 GLU 80 -2.609 -12.129 -4.673 673 HB3 GLU 80 HB3 GLU 80 -1.492 -13.126 -3.769 674 HG2 GLU 80 HG2 GLU 80 -3.985 -14.212 -5.139 675 HG3 GLU 80 HG3 GLU 80 -2.377 -14.191 -5.847 676 HA PRO 81 HA PRO 81 -2.036 -12.364 1.057 677 HB2 PRO 81 HB2 PRO 81 -0.034 -14.091 1.689 678 HB3 PRO 81 HB3 PRO 81 -1.760 -14.580 1.682 679 HG2 PRO 81 HG2 PRO 81 0.324 -15.011 -0.475 680 HG3 PRO 81 HG3 PRO 81 -0.860 -16.187 0.175 681 HD2 PRO 81 HD2 PRO 81 -1.232 -14.744 -2.125 682 HD3 PRO 81 HD3 PRO 81 -2.604 -15.233 -1.092 683 H VAL 82 H VAL 82 -0.621 -10.828 1.678 684 HA VAL 82 HA VAL 82 1.348 -10.048 -0.375 685 HB VAL 82 HB VAL 82 -0.929 -9.123 -0.758 686 HG11 VAL 82 HG11 VAL 82 -1.648 -8.944 1.640 687 HG12 VAL 82 HG12 VAL 82 -0.555 -7.556 1.803 688 HG13 VAL 82 HG13 VAL 82 -1.916 -7.490 0.668 689 HG21 VAL 82 HG21 VAL 82 1.256 -7.132 -0.102 690 HG22 VAL 82 HG22 VAL 82 0.761 -7.788 -1.678 691 HG23 VAL 82 HG23 VAL 82 -0.292 -6.675 -0.849 692 H ARG 83 H ARG 83 3.221 -9.532 0.346 693 HA ARG 83 HA ARG 83 3.547 -8.744 3.206 694 HB2 ARG 83 HB2 ARG 83 4.888 -10.743 1.820 695 HB3 ARG 83 HB3 ARG 83 6.003 -9.382 1.644 696 HG2 ARG 83 HG2 ARG 83 6.128 -9.145 4.080 697 HG3 ARG 83 HG3 ARG 83 4.809 -10.298 4.286 698 HD2 ARG 83 HD2 ARG 83 6.246 -12.068 3.173 699 HD3 ARG 83 HD3 ARG 83 7.578 -10.921 3.185 700 HE ARG 83 HE ARG 83 7.949 -11.422 5.364 701 HH11 ARG 83 HH11 ARG 83 4.614 -12.514 4.608 702 HH12 ARG 83 HH12 ARG 83 4.355 -13.158 6.184 703 HH21 ARG 83 HH21 ARG 83 7.593 -12.437 7.433 704 HH22 ARG 83 HH22 ARG 83 6.072 -13.145 7.802 705 H LYS 84 H LYS 84 3.656 -6.565 3.396 706 HA LYS 84 HA LYS 84 5.090 -5.104 1.261 707 HB2 LYS 84 HB2 LYS 84 3.640 -3.455 0.907 708 HB3 LYS 84 HB3 LYS 84 2.527 -4.793 1.043 709 HG2 LYS 84 HG2 LYS 84 3.067 -2.556 3.052 710 HG3 LYS 84 HG3 LYS 84 1.658 -2.766 2.018 711 HD2 LYS 84 HD2 LYS 84 1.651 -5.132 3.417 712 HD3 LYS 84 HD3 LYS 84 2.342 -3.995 4.592 713 HE2 LYS 84 HE2 LYS 84 -0.142 -3.142 3.110 714 HE3 LYS 84 HE3 LYS 84 -0.333 -4.466 4.227 715 HZ1 LYS 84 HZ1 LYS 84 0.828 -2.898 5.892 716 HZ2 LYS 84 HZ2 LYS 84 -0.740 -2.663 5.551 717 HZ3 LYS 84 HZ3 LYS 84 0.361 -1.710 4.828 718 H HIS 85 H HIS 85 6.247 -3.364 1.943 719 HA HIS 85 HA HIS 85 6.701 -3.094 4.879 720 HB2 HIS 85 HB2 HIS 85 8.230 -2.290 2.379 721 HB3 HIS 85 HB3 HIS 85 8.452 -1.391 3.870 722 HD1 HIS 85 HD1 HIS 85 9.790 -4.513 2.288 723 HD2 HIS 85 HD2 HIS 85 9.158 -2.888 6.133 724 HE1 HIS 85 HE1 HIS 85 11.156 -5.920 3.940 725 H TYR 86 H TYR 86 5.713 -1.348 5.858 726 HA TYR 86 HA TYR 86 4.468 0.708 4.126 727 HB2 TYR 86 HB2 TYR 86 2.605 0.933 5.614 728 HB3 TYR 86 HB3 TYR 86 2.658 -0.737 5.057 729 HD1 TYR 86 HD1 TYR 86 3.772 -2.484 6.718 730 HD2 TYR 86 HD2 TYR 86 2.518 1.493 7.891 731 HE1 TYR 86 HE1 TYR 86 3.756 -3.167 9.083 732 HE2 TYR 86 HE2 TYR 86 2.516 0.800 10.246 733 HH TYR 86 HH TYR 86 3.652 -2.416 11.292 734 H ASN 87 H ASN 87 4.361 2.840 5.324 735 HA ASN 87 HA ASN 87 5.861 2.939 7.823 736 HB2 ASN 87 HB2 ASN 87 7.627 3.015 6.090 737 HB3 ASN 87 HB3 ASN 87 6.951 4.526 5.458 738 HD21 ASN 87 HD21 ASN 87 7.763 6.420 6.506 739 HD22 ASN 87 HD22 ASN 87 8.577 6.362 8.059 740 H LEU 88 H LEU 88 4.742 4.238 9.038 741 HA LEU 88 HA LEU 88 2.820 6.248 8.089 742 HB2 LEU 88 HB2 LEU 88 3.896 5.702 10.885 743 HB3 LEU 88 HB3 LEU 88 2.426 6.577 10.481 744 HG LEU 88 HG LEU 88 2.827 3.574 9.969 745 HD11 LEU 88 HD11 LEU 88 2.906 4.228 12.413 746 HD12 LEU 88 HD12 LEU 88 1.487 3.226 11.993 747 HD13 LEU 88 HD13 LEU 88 1.323 4.975 12.228 748 HD21 LEU 88 HD21 LEU 88 0.448 3.444 9.693 749 HD22 LEU 88 HD22 LEU 88 1.089 4.637 8.556 750 HD23 LEU 88 HD23 LEU 88 0.257 5.164 10.047 751 H PHE 89 H PHE 89 3.350 8.563 8.028 752 HA PHE 89 HA PHE 89 5.719 9.542 9.287 753 HB2 PHE 89 HB2 PHE 89 7.010 10.105 7.359 754 HB3 PHE 89 HB3 PHE 89 6.772 8.370 7.345 755 HD1 PHE 89 HD1 PHE 89 4.437 7.721 5.882 756 HD2 PHE 89 HD2 PHE 89 7.044 11.112 5.308 757 HE1 PHE 89 HE1 PHE 89 3.702 7.900 3.542 758 HE2 PHE 89 HE2 PHE 89 6.284 11.284 2.956 759 HZ PHE 89 HZ PHE 89 4.623 9.687 2.069 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -6.106 15.693 -5.088 2 HA MET 1 HA MET 1 -6.150 13.890 -6.666 3 HB2 MET 1 HB2 MET 1 -4.102 12.645 -7.181 4 HB3 MET 1 HB3 MET 1 -3.993 14.321 -7.696 5 HG2 MET 1 HG2 MET 1 -2.694 14.764 -5.532 6 HG3 MET 1 HG3 MET 1 -2.677 13.012 -5.285 7 HE1 MET 1 HE1 MET 1 -0.015 13.130 -5.064 8 HE2 MET 1 HE2 MET 1 1.008 14.001 -6.234 9 HE3 MET 1 HE3 MET 1 -0.186 14.889 -5.259 10 H GLU 2 H GLU 2 -6.015 11.443 -6.024 11 HA GLU 2 HA GLU 2 -5.512 11.210 -3.127 12 HB2 GLU 2 HB2 GLU 2 -7.685 9.684 -4.592 13 HB3 GLU 2 HB3 GLU 2 -7.293 9.595 -2.877 14 HG2 GLU 2 HG2 GLU 2 -8.530 11.904 -4.368 15 HG3 GLU 2 HG3 GLU 2 -9.327 10.856 -3.199 16 H VAL 3 H VAL 3 -4.827 9.186 -2.468 17 HA VAL 3 HA VAL 3 -3.297 7.570 -2.441 18 HB VAL 3 HB VAL 3 -5.264 6.556 -4.495 19 HG11 VAL 3 HG11 VAL 3 -3.420 5.003 -2.586 20 HG12 VAL 3 HG12 VAL 3 -4.585 4.295 -3.724 21 HG13 VAL 3 HG13 VAL 3 -3.183 5.125 -4.341 22 HG21 VAL 3 HG21 VAL 3 -6.379 7.296 -2.438 23 HG22 VAL 3 HG22 VAL 3 -6.389 5.538 -2.524 24 HG23 VAL 3 HG23 VAL 3 -5.233 6.359 -1.459 25 H LYS 4 H LYS 4 -1.442 8.558 -3.083 26 HA LYS 4 HA LYS 4 -0.722 8.818 -5.867 27 HB2 LYS 4 HB2 LYS 4 0.195 9.964 -3.580 28 HB3 LYS 4 HB3 LYS 4 1.345 8.679 -3.624 29 HG2 LYS 4 HG2 LYS 4 0.837 10.404 -6.087 30 HG3 LYS 4 HG3 LYS 4 1.783 11.042 -4.765 31 HD2 LYS 4 HD2 LYS 4 2.488 8.515 -6.321 32 HD3 LYS 4 HD3 LYS 4 3.215 10.119 -6.524 33 HE2 LYS 4 HE2 LYS 4 3.318 9.617 -3.741 34 HE3 LYS 4 HE3 LYS 4 3.717 8.063 -4.481 35 HZ1 LYS 4 HZ1 LYS 4 5.095 10.633 -4.983 36 HZ2 LYS 4 HZ2 LYS 4 5.479 9.189 -5.694 37 HZ3 LYS 4 HZ3 LYS 4 5.649 9.364 -4.072 38 H ILE 5 H ILE 5 -0.324 7.107 -7.145 39 HA ILE 5 HA ILE 5 1.174 4.789 -6.029 40 HB ILE 5 HB ILE 5 -0.556 4.744 -8.528 41 HG12 ILE 5 HG12 ILE 5 -1.199 3.702 -5.747 42 HG13 ILE 5 HG13 ILE 5 -2.023 5.011 -6.581 43 HG21 ILE 5 HG21 ILE 5 0.812 2.525 -6.963 44 HG22 ILE 5 HG22 ILE 5 -0.218 2.279 -8.396 45 HG23 ILE 5 HG23 ILE 5 1.300 3.120 -8.562 46 HD11 ILE 5 HD11 ILE 5 -2.166 2.050 -7.255 47 HD12 ILE 5 HD12 ILE 5 -3.457 3.151 -6.779 48 HD13 ILE 5 HD13 ILE 5 -2.708 3.344 -8.373 49 H GLU 6 H GLU 6 3.050 4.175 -7.249 50 HA GLU 6 HA GLU 6 3.520 5.223 -9.850 51 HB2 GLU 6 HB2 GLU 6 5.725 6.251 -9.356 52 HB3 GLU 6 HB3 GLU 6 4.356 7.200 -8.782 53 HG2 GLU 6 HG2 GLU 6 4.751 6.441 -6.470 54 HG3 GLU 6 HG3 GLU 6 5.980 5.303 -7.063 55 H LYS 7 H LYS 7 5.864 4.454 -10.525 56 HA LYS 7 HA LYS 7 6.396 1.816 -9.259 57 HB2 LYS 7 HB2 LYS 7 6.658 2.483 -12.199 58 HB3 LYS 7 HB3 LYS 7 7.291 1.053 -11.395 59 HG2 LYS 7 HG2 LYS 7 5.331 0.261 -12.264 60 HG3 LYS 7 HG3 LYS 7 4.865 0.586 -10.605 61 HD2 LYS 7 HD2 LYS 7 3.621 2.508 -11.218 62 HD3 LYS 7 HD3 LYS 7 4.371 2.631 -12.809 63 HE2 LYS 7 HE2 LYS 7 2.619 0.307 -11.898 64 HE3 LYS 7 HE3 LYS 7 1.977 1.733 -12.707 65 HZ1 LYS 7 HZ1 LYS 7 3.236 1.182 -14.655 66 HZ2 LYS 7 HZ2 LYS 7 2.344 -0.109 -14.215 67 HZ3 LYS 7 HZ3 LYS 7 3.954 -0.111 -13.925 68 HA PRO 8 HA PRO 8 9.994 4.655 -8.665 69 HB2 PRO 8 HB2 PRO 8 10.838 3.758 -6.226 70 HB3 PRO 8 HB3 PRO 8 9.396 4.805 -6.397 71 HG2 PRO 8 HG2 PRO 8 9.437 1.768 -6.165 72 HG3 PRO 8 HG3 PRO 8 8.502 2.939 -5.255 73 HD2 PRO 8 HD2 PRO 8 7.537 1.644 -7.497 74 HD3 PRO 8 HD3 PRO 8 7.015 3.274 -7.086 75 H THR 9 H THR 9 12.374 4.177 -8.269 76 HA THR 9 HA THR 9 13.020 1.779 -9.806 77 HB THR 9 HB THR 9 15.141 2.753 -10.092 78 HG1 THR 9 HG1 THR 9 15.263 4.998 -8.815 79 HG21 THR 9 HG21 THR 9 13.320 5.172 -10.061 80 HG22 THR 9 HG22 THR 9 13.213 3.875 -11.254 81 HG23 THR 9 HG23 THR 9 14.701 4.825 -11.122 82 HA PRO 10 HA PRO 10 14.162 -0.629 -6.259 83 HB2 PRO 10 HB2 PRO 10 16.294 -2.111 -7.269 84 HB3 PRO 10 HB3 PRO 10 14.561 -2.443 -7.537 85 HG2 PRO 10 HG2 PRO 10 16.483 -1.017 -9.366 86 HG3 PRO 10 HG3 PRO 10 15.215 -2.212 -9.794 87 HD2 PRO 10 HD2 PRO 10 14.793 0.433 -10.119 88 HD3 PRO 10 HD3 PRO 10 13.491 -0.661 -9.586 89 H GLU 11 H GLU 11 16.747 1.248 -7.945 90 HA GLU 11 HA GLU 11 18.524 1.331 -5.678 91 HB2 GLU 11 HB2 GLU 11 18.098 3.163 -8.077 92 HB3 GLU 11 HB3 GLU 11 19.211 3.568 -6.763 93 HG2 GLU 11 HG2 GLU 11 20.283 1.290 -7.090 94 HG3 GLU 11 HG3 GLU 11 19.401 1.165 -8.611 95 H LYS 12 H LYS 12 15.881 3.572 -6.739 96 HA LYS 12 HA LYS 12 16.290 5.358 -4.623 97 HB2 LYS 12 HB2 LYS 12 14.784 5.789 -6.583 98 HB3 LYS 12 HB3 LYS 12 13.588 4.688 -5.896 99 HG2 LYS 12 HG2 LYS 12 13.060 7.063 -5.480 100 HG3 LYS 12 HG3 LYS 12 13.293 6.204 -3.955 101 HD2 LYS 12 HD2 LYS 12 15.507 7.103 -3.668 102 HD3 LYS 12 HD3 LYS 12 15.567 7.683 -5.330 103 HE2 LYS 12 HE2 LYS 12 13.779 8.797 -3.118 104 HE3 LYS 12 HE3 LYS 12 15.362 9.412 -3.613 105 HZ1 LYS 12 HZ1 LYS 12 13.789 10.713 -4.691 106 HZ2 LYS 12 HZ2 LYS 12 12.929 9.432 -5.257 107 HZ3 LYS 12 HZ3 LYS 12 14.462 9.783 -5.822 108 H LEU 13 H LEU 13 14.412 2.368 -4.669 109 HA LEU 13 HA LEU 13 13.273 2.674 -2.069 110 HB2 LEU 13 HB2 LEU 13 13.947 0.242 -3.762 111 HB3 LEU 13 HB3 LEU 13 13.170 0.121 -2.195 112 HG LEU 13 HG LEU 13 12.017 1.853 -4.440 113 HD11 LEU 13 HD11 LEU 13 12.153 -0.384 -5.349 114 HD12 LEU 13 HD12 LEU 13 10.473 -0.060 -4.921 115 HD13 LEU 13 HD13 LEU 13 11.476 -1.076 -3.862 116 HD21 LEU 13 HD21 LEU 13 9.894 1.561 -3.248 117 HD22 LEU 13 HD22 LEU 13 11.098 2.293 -2.181 118 HD23 LEU 13 HD23 LEU 13 10.695 0.562 -2.021 119 H LYS 14 H LYS 14 16.585 1.760 -3.022 120 HA LYS 14 HA LYS 14 17.326 0.709 -0.406 121 HB2 LYS 14 HB2 LYS 14 19.109 2.035 -2.498 122 HB3 LYS 14 HB3 LYS 14 19.633 1.100 -1.126 123 HG2 LYS 14 HG2 LYS 14 18.152 0.085 -3.564 124 HG3 LYS 14 HG3 LYS 14 19.811 -0.242 -3.112 125 HD2 LYS 14 HD2 LYS 14 17.333 -1.216 -1.596 126 HD3 LYS 14 HD3 LYS 14 18.359 -2.150 -2.671 127 HE2 LYS 14 HE2 LYS 14 20.331 -1.434 -1.109 128 HE3 LYS 14 HE3 LYS 14 19.070 -0.932 0.021 129 HZ1 LYS 14 HZ1 LYS 14 19.534 -3.662 -0.995 130 HZ2 LYS 14 HZ2 LYS 14 18.247 -3.244 -0.056 131 HZ3 LYS 14 HZ3 LYS 14 19.765 -3.096 0.546 132 H GLU 15 H GLU 15 17.295 3.874 -1.983 133 HA GLU 15 HA GLU 15 18.854 5.267 -0.003 134 HB2 GLU 15 HB2 GLU 15 16.601 6.413 -1.742 135 HB3 GLU 15 HB3 GLU 15 17.775 7.319 -0.823 136 HG2 GLU 15 HG2 GLU 15 19.516 5.927 -2.229 137 HG3 GLU 15 HG3 GLU 15 18.159 5.741 -3.351 138 H LEU 16 H LEU 16 15.437 4.917 -0.504 139 HA LEU 16 HA LEU 16 14.453 6.250 1.830 140 HB2 LEU 16 HB2 LEU 16 13.239 4.093 0.052 141 HB3 LEU 16 HB3 LEU 16 12.339 5.016 1.250 142 HG LEU 16 HG LEU 16 13.698 6.166 -1.226 143 HD11 LEU 16 HD11 LEU 16 10.758 5.791 -0.539 144 HD12 LEU 16 HD12 LEU 16 11.689 4.844 -1.723 145 HD13 LEU 16 HD13 LEU 16 11.406 6.571 -2.001 146 HD21 LEU 16 HD21 LEU 16 12.093 7.543 0.944 147 HD22 LEU 16 HD22 LEU 16 12.506 8.255 -0.637 148 HD23 LEU 16 HD23 LEU 16 13.787 7.848 0.491 149 H SER 17 H SER 17 16.253 3.438 1.790 150 HA SER 17 HA SER 17 16.669 1.795 3.224 151 HB2 SER 17 HB2 SER 17 15.581 3.131 5.633 152 HB3 SER 17 HB3 SER 17 17.160 2.527 5.278 153 HG SER 17 HG SER 17 17.465 4.469 3.938 154 H VAL 18 H VAL 18 14.089 1.495 1.922 155 HA VAL 18 HA VAL 18 11.995 0.867 3.664 156 HB VAL 18 HB VAL 18 12.554 -0.396 0.973 157 HG11 VAL 18 HG11 VAL 18 10.082 -0.517 0.816 158 HG12 VAL 18 HG12 VAL 18 10.745 -1.538 2.097 159 HG13 VAL 18 HG13 VAL 18 9.969 0.009 2.507 160 HG21 VAL 18 HG21 VAL 18 11.082 1.455 0.099 161 HG22 VAL 18 HG22 VAL 18 11.129 2.201 1.697 162 HG23 VAL 18 HG23 VAL 18 12.608 2.051 0.738 163 H GLU 19 H GLU 19 14.890 -1.017 3.001 164 HA GLU 19 HA GLU 19 14.164 -3.526 4.077 165 HB2 GLU 19 HB2 GLU 19 16.525 -3.654 4.742 166 HB3 GLU 19 HB3 GLU 19 16.318 -3.153 3.063 167 HG2 GLU 19 HG2 GLU 19 17.047 -0.989 3.412 168 HG3 GLU 19 HG3 GLU 19 16.587 -0.954 5.100 169 H LYS 20 H LYS 20 14.573 -0.443 5.778 170 HA LYS 20 HA LYS 20 15.047 -1.708 8.357 171 HB2 LYS 20 HB2 LYS 20 15.939 0.111 9.055 172 HB3 LYS 20 HB3 LYS 20 16.010 0.465 7.335 173 HG2 LYS 20 HG2 LYS 20 14.335 1.876 7.390 174 HG3 LYS 20 HG3 LYS 20 13.753 1.349 8.993 175 HD2 LYS 20 HD2 LYS 20 14.805 3.465 9.383 176 HD3 LYS 20 HD3 LYS 20 15.925 2.227 9.945 177 HE2 LYS 20 HE2 LYS 20 16.795 2.442 7.386 178 HE3 LYS 20 HE3 LYS 20 16.104 4.066 7.566 179 HZ1 LYS 20 HZ1 LYS 20 17.548 4.334 9.503 180 HZ2 LYS 20 HZ2 LYS 20 18.392 4.090 8.150 181 HZ3 LYS 20 HZ3 LYS 20 18.216 2.846 9.239 182 H TRP 21 H TRP 21 12.348 -0.790 6.552 183 HA TRP 21 HA TRP 21 10.778 0.416 8.545 184 HB2 TRP 21 HB2 TRP 21 10.118 -0.831 5.848 185 HB3 TRP 21 HB3 TRP 21 9.008 0.136 6.775 186 HD1 TRP 21 HD1 TRP 21 12.523 1.497 6.836 187 HE1 TRP 21 HE1 TRP 21 12.747 3.485 5.306 188 HE3 TRP 21 HE3 TRP 21 8.083 1.062 4.341 189 HZ2 TRP 21 HZ2 TRP 21 11.135 4.853 3.302 190 HZ3 TRP 21 HZ3 TRP 21 7.456 2.709 2.610 191 HH2 TRP 21 HH2 TRP 21 8.981 4.634 2.092 192 HA PRO 22 HA PRO 22 8.771 -3.251 10.254 193 HB2 PRO 22 HB2 PRO 22 6.157 -2.551 10.615 194 HB3 PRO 22 HB3 PRO 22 7.494 -1.937 11.613 195 HG2 PRO 22 HG2 PRO 22 6.209 -0.568 9.221 196 HG3 PRO 22 HG3 PRO 22 6.543 0.128 10.834 197 HD2 PRO 22 HD2 PRO 22 8.213 0.499 8.730 198 HD3 PRO 22 HD3 PRO 22 8.857 0.272 10.373 199 H ILE 23 H ILE 23 8.132 -5.118 9.309 200 HA ILE 23 HA ILE 23 6.995 -5.161 6.601 201 HB ILE 23 HB ILE 23 7.676 -7.298 8.659 202 HG12 ILE 23 HG12 ILE 23 8.658 -6.832 5.803 203 HG13 ILE 23 HG13 ILE 23 9.465 -6.175 7.212 204 HG21 ILE 23 HG21 ILE 23 6.990 -9.054 7.003 205 HG22 ILE 23 HG22 ILE 23 5.608 -8.151 7.570 206 HG23 ILE 23 HG23 ILE 23 6.296 -7.793 5.968 207 HD11 ILE 23 HD11 ILE 23 9.178 -9.108 6.514 208 HD12 ILE 23 HD12 ILE 23 10.636 -8.106 6.568 209 HD13 ILE 23 HD13 ILE 23 9.794 -8.503 8.079 210 H TRP 24 H TRP 24 4.842 -5.590 6.092 211 HA TRP 24 HA TRP 24 3.075 -6.420 8.263 212 HB2 TRP 24 HB2 TRP 24 2.743 -4.057 8.234 213 HB3 TRP 24 HB3 TRP 24 2.567 -4.013 6.484 214 HD1 TRP 24 HD1 TRP 24 0.764 -4.839 9.710 215 HE1 TRP 24 HE1 TRP 24 -1.647 -5.372 9.271 216 HE3 TRP 24 HE3 TRP 24 0.826 -5.003 4.601 217 HZ2 TRP 24 HZ2 TRP 24 -3.534 -4.920 6.994 218 HZ3 TRP 24 HZ3 TRP 24 -1.320 -5.184 3.332 219 HH2 TRP 24 HH2 TRP 24 -3.457 -5.057 4.505 220 H GLU 25 H GLU 25 1.603 -7.817 7.585 221 HA GLU 25 HA GLU 25 1.264 -8.458 4.732 222 HB2 GLU 25 HB2 GLU 25 0.999 -10.879 5.616 223 HB3 GLU 25 HB3 GLU 25 2.603 -10.285 5.240 224 HG2 GLU 25 HG2 GLU 25 3.273 -10.192 7.460 225 HG3 GLU 25 HG3 GLU 25 1.647 -10.049 8.082 226 H LYS 26 H LYS 26 -0.720 -9.793 4.505 227 HA LYS 26 HA LYS 26 -2.592 -9.880 6.623 228 HB2 LYS 26 HB2 LYS 26 -2.796 -7.668 4.719 229 HB3 LYS 26 HB3 LYS 26 -4.176 -8.736 4.496 230 HG2 LYS 26 HG2 LYS 26 -3.285 -7.797 7.232 231 HG3 LYS 26 HG3 LYS 26 -4.406 -6.860 6.213 232 HD2 LYS 26 HD2 LYS 26 -5.902 -8.846 6.183 233 HD3 LYS 26 HD3 LYS 26 -4.845 -9.629 7.337 234 HE2 LYS 26 HE2 LYS 26 -5.092 -7.719 8.907 235 HE3 LYS 26 HE3 LYS 26 -6.152 -6.897 7.741 236 HZ1 LYS 26 HZ1 LYS 26 -6.724 -9.497 9.003 237 HZ2 LYS 26 HZ2 LYS 26 -7.702 -8.719 7.962 238 HZ3 LYS 26 HZ3 LYS 26 -7.392 -8.065 9.468 239 H GLU 27 H GLU 27 -4.502 -11.261 5.899 240 HA GLU 27 HA GLU 27 -3.590 -13.105 3.881 241 HB2 GLU 27 HB2 GLU 27 -4.464 -13.607 6.261 242 HB3 GLU 27 HB3 GLU 27 -6.070 -13.410 5.599 243 HG2 GLU 27 HG2 GLU 27 -5.846 -15.156 4.265 244 HG3 GLU 27 HG3 GLU 27 -4.081 -15.161 4.123 245 H VAL 28 H VAL 28 -5.595 -14.006 2.833 246 HA VAL 28 HA VAL 28 -6.406 -12.175 0.738 247 HB VAL 28 HB VAL 28 -5.687 -14.469 0.406 248 HG11 VAL 28 HG11 VAL 28 -6.824 -16.407 0.994 249 HG12 VAL 28 HG12 VAL 28 -6.939 -15.454 2.448 250 HG13 VAL 28 HG13 VAL 28 -8.342 -15.544 1.388 251 HG21 VAL 28 HG21 VAL 28 -7.194 -13.322 -1.261 252 HG22 VAL 28 HG22 VAL 28 -7.108 -15.090 -1.367 253 HG23 VAL 28 HG23 VAL 28 -8.520 -14.305 -0.623 254 H SER 29 H SER 29 -7.542 -11.964 3.621 255 HA SER 29 HA SER 29 -10.442 -12.071 3.187 256 HB2 SER 29 HB2 SER 29 -10.083 -11.279 5.703 257 HB3 SER 29 HB3 SER 29 -10.016 -12.979 5.187 258 HG SER 29 HG SER 29 -8.268 -12.683 6.495 259 H GLU 30 H GLU 30 -11.594 -10.289 3.025 260 HA GLU 30 HA GLU 30 -10.269 -7.772 2.377 261 HB2 GLU 30 HB2 GLU 30 -13.263 -8.204 2.770 262 HB3 GLU 30 HB3 GLU 30 -12.439 -6.952 1.856 263 HG2 GLU 30 HG2 GLU 30 -12.942 -8.177 0.081 264 HG3 GLU 30 HG3 GLU 30 -11.491 -9.085 0.513 265 H PHE 31 H PHE 31 -11.113 -5.747 3.361 266 HA PHE 31 HA PHE 31 -12.457 -5.669 5.842 267 HB2 PHE 31 HB2 PHE 31 -10.542 -4.526 7.127 268 HB3 PHE 31 HB3 PHE 31 -10.547 -6.261 7.036 269 HD1 PHE 31 HD1 PHE 31 -8.931 -7.522 5.657 270 HD2 PHE 31 HD2 PHE 31 -8.739 -3.217 6.040 271 HE1 PHE 31 HE1 PHE 31 -6.664 -7.539 4.721 272 HE2 PHE 31 HE2 PHE 31 -6.469 -3.241 5.016 273 HZ PHE 31 HZ PHE 31 -5.475 -5.400 4.279 274 H ASP 32 H ASP 32 -11.848 -3.044 6.563 275 HA ASP 32 HA ASP 32 -11.216 -1.558 4.162 276 HB2 ASP 32 HB2 ASP 32 -12.689 0.309 4.893 277 HB3 ASP 32 HB3 ASP 32 -13.514 -1.142 4.315 278 H TRP 33 H TRP 33 -9.819 0.119 4.621 279 HA TRP 33 HA TRP 33 -8.922 0.255 7.479 280 HB2 TRP 33 HB2 TRP 33 -7.286 -0.676 5.606 281 HB3 TRP 33 HB3 TRP 33 -7.090 1.021 5.212 282 HD1 TRP 33 HD1 TRP 33 -5.489 2.379 6.783 283 HE1 TRP 33 HE1 TRP 33 -4.131 1.869 8.914 284 HE3 TRP 33 HE3 TRP 33 -7.569 -2.123 8.032 285 HZ2 TRP 33 HZ2 TRP 33 -3.796 -0.310 10.734 286 HZ3 TRP 33 HZ3 TRP 33 -6.785 -3.351 10.029 287 HH2 TRP 33 HH2 TRP 33 -4.871 -2.482 11.366 288 H TYR 34 H TYR 34 -8.351 2.250 8.285 289 HA TYR 34 HA TYR 34 -9.042 4.646 6.695 290 HB2 TYR 34 HB2 TYR 34 -10.745 4.132 8.461 291 HB3 TYR 34 HB3 TYR 34 -9.507 4.338 9.683 292 HD1 TYR 34 HD1 TYR 34 -8.102 6.722 9.304 293 HD2 TYR 34 HD2 TYR 34 -12.183 5.927 8.188 294 HE1 TYR 34 HE1 TYR 34 -8.563 9.139 9.326 295 HE2 TYR 34 HE2 TYR 34 -12.654 8.368 8.218 296 HH TYR 34 HH TYR 34 -10.352 10.744 9.399 297 H TYR 35 H TYR 35 -7.116 5.467 6.199 298 HA TYR 35 HA TYR 35 -4.697 5.086 7.872 299 HB2 TYR 35 HB2 TYR 35 -5.138 6.522 5.206 300 HB3 TYR 35 HB3 TYR 35 -3.589 6.335 6.025 301 HD1 TYR 35 HD1 TYR 35 -2.707 3.992 6.475 302 HD2 TYR 35 HD2 TYR 35 -6.017 4.762 3.824 303 HE1 TYR 35 HE1 TYR 35 -2.530 1.690 5.612 304 HE2 TYR 35 HE2 TYR 35 -5.818 2.455 2.913 305 HH TYR 35 HH TYR 35 -3.876 -0.008 4.446 306 H ASP 36 H ASP 36 -4.873 6.427 9.700 307 HA ASP 36 HA ASP 36 -5.883 9.183 9.260 308 HB2 ASP 36 HB2 ASP 36 -6.515 9.363 11.417 309 HB3 ASP 36 HB3 ASP 36 -7.086 7.763 10.943 310 H THR 37 H THR 37 -3.022 7.918 9.020 311 HA THR 37 HA THR 37 -1.810 10.506 9.178 312 HB THR 37 HB THR 37 0.353 9.228 10.134 313 HG1 THR 37 HG1 THR 37 -1.791 8.221 11.699 314 HG21 THR 37 HG21 THR 37 -0.287 10.399 12.346 315 HG22 THR 37 HG22 THR 37 -1.814 10.831 11.531 316 HG23 THR 37 HG23 THR 37 -0.269 11.377 10.873 317 H ASN 38 H ASN 38 0.398 10.278 8.037 318 HA ASN 38 HA ASN 38 -0.060 9.323 5.337 319 HB2 ASN 38 HB2 ASN 38 2.607 9.892 6.615 320 HB3 ASN 38 HB3 ASN 38 2.101 10.069 4.939 321 HD21 ASN 38 HD21 ASN 38 2.472 11.602 7.981 322 HD22 ASN 38 HD22 ASN 38 1.991 13.202 7.514 323 H GLU 39 H GLU 39 0.488 7.364 4.461 324 HA GLU 39 HA GLU 39 2.379 5.631 5.918 325 HB2 GLU 39 HB2 GLU 39 0.141 4.956 6.657 326 HB3 GLU 39 HB3 GLU 39 -0.359 4.681 4.981 327 HG2 GLU 39 HG2 GLU 39 1.372 2.937 4.724 328 HG3 GLU 39 HG3 GLU 39 1.999 3.286 6.345 329 H THR 40 H THR 40 3.937 5.263 4.480 330 HA THR 40 HA THR 40 3.353 5.084 1.573 331 HB THR 40 HB THR 40 5.969 4.855 3.161 332 HG1 THR 40 HG1 THR 40 6.211 6.816 1.610 333 HG21 THR 40 HG21 THR 40 6.044 3.559 1.003 334 HG22 THR 40 HG22 THR 40 7.066 4.991 0.934 335 HG23 THR 40 HG23 THR 40 5.490 5.002 0.128 336 H CYS 41 H CYS 41 3.478 2.932 0.548 337 HA CYS 41 HA CYS 41 4.745 0.929 2.161 338 HB2 CYS 41 HB2 CYS 41 3.066 -0.835 1.868 339 HB3 CYS 41 HB3 CYS 41 2.461 0.487 2.888 340 HG CYS 41 HG CYS 41 1.989 0.407 -0.380 341 H TYR 42 H TYR 42 5.894 -0.470 1.013 342 HA TYR 42 HA TYR 42 5.866 -0.284 -1.962 343 HB2 TYR 42 HB2 TYR 42 8.022 0.295 -1.004 344 HB3 TYR 42 HB3 TYR 42 7.968 -1.105 0.063 345 HD1 TYR 42 HD1 TYR 42 7.305 -0.874 -3.695 346 HD2 TYR 42 HD2 TYR 42 9.826 -2.425 -0.513 347 HE1 TYR 42 HE1 TYR 42 8.345 -2.452 -5.243 348 HE2 TYR 42 HE2 TYR 42 11.057 -3.776 -2.176 349 HH TYR 42 HH TYR 42 9.586 -4.502 -5.217 350 H ILE 43 H ILE 43 4.660 -1.886 -2.849 351 HA ILE 43 HA ILE 43 4.041 -4.347 -1.433 352 HB ILE 43 HB ILE 43 3.519 -3.577 -4.301 353 HG12 ILE 43 HG12 ILE 43 2.490 -1.799 -2.981 354 HG13 ILE 43 HG13 ILE 43 1.313 -2.799 -3.801 355 HG21 ILE 43 HG21 ILE 43 3.185 -5.952 -3.883 356 HG22 ILE 43 HG22 ILE 43 2.197 -5.616 -2.452 357 HG23 ILE 43 HG23 ILE 43 1.614 -5.169 -4.068 358 HD11 ILE 43 HD11 ILE 43 1.972 -2.843 -0.837 359 HD12 ILE 43 HD12 ILE 43 0.513 -2.200 -1.606 360 HD13 ILE 43 HD13 ILE 43 0.804 -3.943 -1.626 361 H LEU 44 H LEU 44 5.364 -6.098 -1.412 362 HA LEU 44 HA LEU 44 7.429 -6.354 -3.560 363 HB2 LEU 44 HB2 LEU 44 7.264 -7.668 -0.826 364 HB3 LEU 44 HB3 LEU 44 8.478 -7.987 -2.056 365 HG LEU 44 HG LEU 44 8.466 -5.157 -1.784 366 HD11 LEU 44 HD11 LEU 44 8.599 -6.456 0.958 367 HD12 LEU 44 HD12 LEU 44 7.252 -5.471 0.353 368 HD13 LEU 44 HD13 LEU 44 8.845 -4.733 0.555 369 HD21 LEU 44 HD21 LEU 44 10.738 -5.486 -0.823 370 HD22 LEU 44 HD22 LEU 44 10.460 -6.452 -2.290 371 HD23 LEU 44 HD23 LEU 44 10.421 -7.213 -0.684 372 H GLU 45 H GLU 45 4.514 -7.931 -2.216 373 HA GLU 45 HA GLU 45 4.327 -9.688 -4.490 374 HB2 GLU 45 HB2 GLU 45 4.541 -11.768 -3.259 375 HB3 GLU 45 HB3 GLU 45 6.043 -10.883 -3.184 376 HG2 GLU 45 HG2 GLU 45 4.984 -9.948 -0.877 377 HG3 GLU 45 HG3 GLU 45 4.072 -11.447 -0.983 378 H GLY 46 H GLY 46 2.292 -10.878 -4.406 379 HA2 GLY 46 HA2 GLY 46 0.302 -11.556 -3.137 380 HA3 GLY 46 HA3 GLY 46 0.316 -9.984 -2.348 381 H LYS 47 H LYS 47 -2.017 -10.101 -3.218 382 HA LYS 47 HA LYS 47 -2.004 -8.344 -5.523 383 HB2 LYS 47 HB2 LYS 47 -3.006 -10.972 -5.957 384 HB3 LYS 47 HB3 LYS 47 -4.402 -9.980 -5.740 385 HG2 LYS 47 HG2 LYS 47 -2.210 -9.458 -7.756 386 HG3 LYS 47 HG3 LYS 47 -3.805 -10.114 -8.126 387 HD2 LYS 47 HD2 LYS 47 -3.236 -7.298 -7.124 388 HD3 LYS 47 HD3 LYS 47 -3.299 -7.731 -8.777 389 HE2 LYS 47 HE2 LYS 47 -5.714 -8.152 -6.993 390 HE3 LYS 47 HE3 LYS 47 -5.350 -6.589 -7.743 391 HZ1 LYS 47 HZ1 LYS 47 -6.063 -9.082 -9.139 392 HZ2 LYS 47 HZ2 LYS 47 -5.330 -7.820 -9.909 393 HZ3 LYS 47 HZ3 LYS 47 -6.809 -7.637 -9.168 394 H VAL 48 H VAL 48 -3.649 -6.933 -5.490 395 HA VAL 48 HA VAL 48 -5.509 -6.709 -3.357 396 HB VAL 48 HB VAL 48 -3.719 -5.769 -2.240 397 HG11 VAL 48 HG11 VAL 48 -2.041 -4.451 -2.725 398 HG12 VAL 48 HG12 VAL 48 -2.029 -6.034 -3.389 399 HG13 VAL 48 HG13 VAL 48 -2.433 -4.738 -4.491 400 HG21 VAL 48 HG21 VAL 48 -5.585 -4.514 -1.885 401 HG22 VAL 48 HG22 VAL 48 -4.132 -3.506 -1.893 402 HG23 VAL 48 HG23 VAL 48 -5.209 -3.537 -3.291 403 H GLU 49 H GLU 49 -7.287 -5.668 -3.767 404 HA GLU 49 HA GLU 49 -6.985 -3.551 -5.667 405 HB2 GLU 49 HB2 GLU 49 -9.129 -5.682 -5.623 406 HB3 GLU 49 HB3 GLU 49 -9.628 -4.040 -6.011 407 HG2 GLU 49 HG2 GLU 49 -8.478 -3.970 -8.014 408 HG3 GLU 49 HG3 GLU 49 -7.260 -5.132 -7.488 409 H VAL 50 H VAL 50 -7.119 -1.786 -4.499 410 HA VAL 50 HA VAL 50 -8.827 -1.684 -2.056 411 HB VAL 50 HB VAL 50 -6.768 0.311 -3.128 412 HG11 VAL 50 HG11 VAL 50 -7.032 1.538 -1.083 413 HG12 VAL 50 HG12 VAL 50 -8.588 1.486 -1.904 414 HG13 VAL 50 HG13 VAL 50 -8.267 0.429 -0.501 415 HG21 VAL 50 HG21 VAL 50 -5.748 -1.706 -2.121 416 HG22 VAL 50 HG22 VAL 50 -5.565 -0.346 -1.028 417 HG23 VAL 50 HG23 VAL 50 -6.826 -1.575 -0.749 418 H THR 51 H THR 51 -10.591 -0.233 -2.029 419 HA THR 51 HA THR 51 -11.200 1.197 -4.527 420 HB THR 51 HB THR 51 -13.196 -0.707 -3.245 421 HG1 THR 51 HG1 THR 51 -11.965 -2.055 -4.389 422 HG21 THR 51 HG21 THR 51 -14.207 1.294 -4.450 423 HG22 THR 51 HG22 THR 51 -14.561 -0.249 -5.244 424 HG23 THR 51 HG23 THR 51 -13.311 0.818 -5.900 425 H THR 52 H THR 52 -11.595 3.283 -3.882 426 HA THR 52 HA THR 52 -12.022 3.917 -1.073 427 HB THR 52 HB THR 52 -12.297 6.241 -1.954 428 HG1 THR 52 HG1 THR 52 -12.007 6.600 -4.110 429 HG21 THR 52 HG21 THR 52 -9.984 6.536 -2.748 430 HG22 THR 52 HG22 THR 52 -9.831 4.787 -3.027 431 HG23 THR 52 HG23 THR 52 -10.034 5.419 -1.377 432 H GLU 53 H GLU 53 -13.984 5.376 -0.502 433 HA GLU 53 HA GLU 53 -16.429 3.996 -0.862 434 HB2 GLU 53 HB2 GLU 53 -17.415 5.956 0.177 435 HB3 GLU 53 HB3 GLU 53 -15.890 5.528 0.960 436 HG2 GLU 53 HG2 GLU 53 -14.955 7.345 -0.844 437 HG3 GLU 53 HG3 GLU 53 -16.599 7.947 -0.681 438 H ASP 54 H ASP 54 -14.884 6.570 -2.664 439 HA ASP 54 HA ASP 54 -16.886 7.469 -4.376 440 HB2 ASP 54 HB2 ASP 54 -14.583 8.420 -3.719 441 HB3 ASP 54 HB3 ASP 54 -13.898 7.351 -4.931 442 H GLY 55 H GLY 55 -15.683 4.326 -4.462 443 HA2 GLY 55 HA2 GLY 55 -15.990 2.648 -6.044 444 HA3 GLY 55 HA3 GLY 55 -16.774 3.827 -7.102 445 H LYS 56 H LYS 56 -13.713 4.997 -6.194 446 HA LYS 56 HA LYS 56 -12.475 4.259 -8.751 447 HB2 LYS 56 HB2 LYS 56 -11.536 5.854 -6.343 448 HB3 LYS 56 HB3 LYS 56 -10.430 5.370 -7.625 449 HG2 LYS 56 HG2 LYS 56 -13.007 6.835 -8.272 450 HG3 LYS 56 HG3 LYS 56 -11.544 7.693 -7.775 451 HD2 LYS 56 HD2 LYS 56 -10.268 6.859 -9.615 452 HD3 LYS 56 HD3 LYS 56 -11.497 5.673 -10.065 453 HE2 LYS 56 HE2 LYS 56 -12.646 7.118 -11.311 454 HE3 LYS 56 HE3 LYS 56 -12.684 8.323 -10.015 455 HZ1 LYS 56 HZ1 LYS 56 -10.516 9.036 -10.649 456 HZ2 LYS 56 HZ2 LYS 56 -11.555 9.132 -11.928 457 HZ3 LYS 56 HZ3 LYS 56 -10.422 7.907 -11.849 458 H LYS 57 H LYS 57 -12.139 2.215 -8.905 459 HA LYS 57 HA LYS 57 -11.034 0.511 -6.806 460 HB2 LYS 57 HB2 LYS 57 -12.621 -0.081 -8.827 461 HB3 LYS 57 HB3 LYS 57 -11.150 -0.025 -9.783 462 HG2 LYS 57 HG2 LYS 57 -10.741 -2.157 -9.248 463 HG3 LYS 57 HG3 LYS 57 -10.521 -1.679 -7.558 464 HD2 LYS 57 HD2 LYS 57 -12.976 -1.954 -7.189 465 HD3 LYS 57 HD3 LYS 57 -13.173 -2.459 -8.878 466 HE2 LYS 57 HE2 LYS 57 -11.953 -4.432 -8.607 467 HE3 LYS 57 HE3 LYS 57 -11.089 -3.841 -7.212 468 HZ1 LYS 57 HZ1 LYS 57 -13.957 -4.301 -6.981 469 HZ2 LYS 57 HZ2 LYS 57 -12.757 -4.333 -5.825 470 HZ3 LYS 57 HZ3 LYS 57 -12.904 -5.556 -6.950 471 H TYR 58 H TYR 58 -8.890 -0.135 -6.714 472 HA TYR 58 HA TYR 58 -6.864 0.860 -8.649 473 HB2 TYR 58 HB2 TYR 58 -6.723 1.125 -5.598 474 HB3 TYR 58 HB3 TYR 58 -5.395 1.424 -6.721 475 HD1 TYR 58 HD1 TYR 58 -5.450 3.388 -8.278 476 HD2 TYR 58 HD2 TYR 58 -8.472 2.754 -5.270 477 HE1 TYR 58 HE1 TYR 58 -6.063 5.759 -8.431 478 HE2 TYR 58 HE2 TYR 58 -9.107 5.170 -5.403 479 HH TYR 58 HH TYR 58 -8.484 7.284 -6.283 480 H VAL 59 H VAL 59 -6.222 -1.089 -9.388 481 HA VAL 59 HA VAL 59 -5.657 -3.427 -7.670 482 HB VAL 59 HB VAL 59 -4.892 -2.593 -10.509 483 HG11 VAL 59 HG11 VAL 59 -4.155 -4.946 -10.881 484 HG12 VAL 59 HG12 VAL 59 -3.117 -4.070 -9.750 485 HG13 VAL 59 HG13 VAL 59 -4.299 -5.251 -9.133 486 HG21 VAL 59 HG21 VAL 59 -7.335 -3.252 -10.018 487 HG22 VAL 59 HG22 VAL 59 -6.509 -4.111 -11.321 488 HG23 VAL 59 HG23 VAL 59 -6.718 -4.883 -9.746 489 H ILE 60 H ILE 60 -3.714 -3.699 -6.366 490 HA ILE 60 HA ILE 60 -1.410 -2.202 -7.419 491 HB ILE 60 HB ILE 60 -1.018 -2.831 -4.791 492 HG12 ILE 60 HG12 ILE 60 -3.711 -3.100 -4.750 493 HG13 ILE 60 HG13 ILE 60 -2.667 -2.672 -3.465 494 HG21 ILE 60 HG21 ILE 60 -1.800 -0.171 -5.755 495 HG22 ILE 60 HG22 ILE 60 -1.175 -0.672 -4.121 496 HG23 ILE 60 HG23 ILE 60 -0.156 -0.883 -5.547 497 HD11 ILE 60 HD11 ILE 60 -4.865 -1.302 -3.974 498 HD12 ILE 60 HD12 ILE 60 -3.416 -0.342 -3.657 499 HD13 ILE 60 HD13 ILE 60 -4.003 -0.608 -5.315 500 H GLU 61 H GLU 61 0.536 -3.322 -7.617 501 HA GLU 61 HA GLU 61 0.417 -6.010 -6.609 502 HB2 GLU 61 HB2 GLU 61 1.383 -5.243 -9.404 503 HB3 GLU 61 HB3 GLU 61 1.464 -6.875 -8.768 504 HG2 GLU 61 HG2 GLU 61 -0.922 -7.112 -8.789 505 HG3 GLU 61 HG3 GLU 61 -1.116 -5.430 -9.300 506 H LYS 62 H LYS 62 2.715 -6.958 -7.405 507 HA LYS 62 HA LYS 62 4.709 -5.750 -5.717 508 HB2 LYS 62 HB2 LYS 62 6.114 -7.588 -6.313 509 HB3 LYS 62 HB3 LYS 62 4.465 -8.149 -5.976 510 HG2 LYS 62 HG2 LYS 62 4.275 -7.843 -8.632 511 HG3 LYS 62 HG3 LYS 62 6.026 -8.112 -8.534 512 HD2 LYS 62 HD2 LYS 62 5.532 -10.168 -7.075 513 HD3 LYS 62 HD3 LYS 62 3.862 -10.056 -7.640 514 HE2 LYS 62 HE2 LYS 62 6.290 -10.142 -9.495 515 HE3 LYS 62 HE3 LYS 62 5.453 -11.593 -8.926 516 HZ1 LYS 62 HZ1 LYS 62 3.488 -10.900 -9.993 517 HZ2 LYS 62 HZ2 LYS 62 4.680 -10.884 -11.100 518 HZ3 LYS 62 HZ3 LYS 62 4.128 -9.458 -10.504 519 H GLY 63 H GLY 63 4.747 -3.758 -6.609 520 HA2 GLY 63 HA2 GLY 63 7.096 -2.796 -7.642 521 HA3 GLY 63 HA3 GLY 63 6.217 -3.189 -9.117 522 H ASP 64 H ASP 64 3.662 -2.356 -7.220 523 HA ASP 64 HA ASP 64 3.735 0.469 -8.067 524 HB2 ASP 64 HB2 ASP 64 1.552 -1.296 -6.868 525 HB3 ASP 64 HB3 ASP 64 1.341 0.368 -7.417 526 H LEU 65 H LEU 65 4.749 1.766 -6.572 527 HA LEU 65 HA LEU 65 4.735 1.158 -3.686 528 HB2 LEU 65 HB2 LEU 65 6.716 2.066 -4.654 529 HB3 LEU 65 HB3 LEU 65 5.821 3.409 -5.377 530 HG LEU 65 HG LEU 65 5.255 4.097 -2.910 531 HD11 LEU 65 HD11 LEU 65 7.021 3.450 -1.289 532 HD12 LEU 65 HD12 LEU 65 7.698 2.317 -2.471 533 HD13 LEU 65 HD13 LEU 65 6.073 2.053 -1.813 534 HD21 LEU 65 HD21 LEU 65 8.139 4.410 -3.781 535 HD22 LEU 65 HD22 LEU 65 7.168 5.475 -2.764 536 HD23 LEU 65 HD23 LEU 65 6.766 5.308 -4.485 537 H VAL 66 H VAL 66 3.390 2.427 -2.252 538 HA VAL 66 HA VAL 66 1.527 4.350 -3.535 539 HB VAL 66 HB VAL 66 0.748 2.330 -1.385 540 HG11 VAL 66 HG11 VAL 66 -0.717 4.271 -1.376 541 HG12 VAL 66 HG12 VAL 66 -0.900 4.194 -3.148 542 HG13 VAL 66 HG13 VAL 66 -1.572 2.924 -2.092 543 HG21 VAL 66 HG21 VAL 66 1.208 1.001 -3.392 544 HG22 VAL 66 HG22 VAL 66 -0.507 1.105 -3.109 545 HG23 VAL 66 HG23 VAL 66 0.241 2.112 -4.378 546 H THR 67 H THR 67 0.757 6.031 -2.184 547 HA THR 67 HA THR 67 1.677 6.050 0.591 548 HB THR 67 HB THR 67 2.023 8.452 -1.237 549 HG1 THR 67 HG1 THR 67 3.592 6.379 -0.536 550 HG21 THR 67 HG21 THR 67 2.636 8.036 1.772 551 HG22 THR 67 HG22 THR 67 1.372 9.076 1.153 552 HG23 THR 67 HG23 THR 67 3.056 9.487 0.833 553 H PHE 68 H PHE 68 -0.002 6.300 1.809 554 HA PHE 68 HA PHE 68 -2.527 7.415 0.806 555 HB2 PHE 68 HB2 PHE 68 -1.742 6.068 3.425 556 HB3 PHE 68 HB3 PHE 68 -3.373 6.558 2.996 557 HD1 PHE 68 HD1 PHE 68 -4.283 5.668 0.677 558 HD2 PHE 68 HD2 PHE 68 -0.989 3.860 2.792 559 HE1 PHE 68 HE1 PHE 68 -4.625 3.564 -0.590 560 HE2 PHE 68 HE2 PHE 68 -1.288 1.792 1.455 561 HZ PHE 68 HZ PHE 68 -3.124 1.638 -0.226 562 HA PRO 69 HA PRO 69 -1.736 11.286 2.942 563 HB2 PRO 69 HB2 PRO 69 -4.179 12.380 3.124 564 HB3 PRO 69 HB3 PRO 69 -3.531 11.971 1.505 565 HG2 PRO 69 HG2 PRO 69 -5.323 10.273 3.267 566 HG3 PRO 69 HG3 PRO 69 -5.613 10.790 1.584 567 HD2 PRO 69 HD2 PRO 69 -4.468 8.353 2.207 568 HD3 PRO 69 HD3 PRO 69 -3.957 9.248 0.758 569 H LYS 70 H LYS 70 -2.893 12.490 4.839 570 HA LYS 70 HA LYS 70 -3.255 10.639 7.151 571 HB2 LYS 70 HB2 LYS 70 -1.672 12.454 7.586 572 HB3 LYS 70 HB3 LYS 70 -2.857 13.672 7.084 573 HG2 LYS 70 HG2 LYS 70 -4.332 13.133 8.923 574 HG3 LYS 70 HG3 LYS 70 -3.349 11.734 9.362 575 HD2 LYS 70 HD2 LYS 70 -1.459 13.169 9.959 576 HD3 LYS 70 HD3 LYS 70 -2.420 14.568 9.488 577 HE2 LYS 70 HE2 LYS 70 -4.223 13.600 11.150 578 HE3 LYS 70 HE3 LYS 70 -2.900 12.602 11.766 579 HZ1 LYS 70 HZ1 LYS 70 -2.906 14.485 13.068 580 HZ2 LYS 70 HZ2 LYS 70 -3.186 15.521 11.799 581 HZ3 LYS 70 HZ3 LYS 70 -1.699 14.810 12.016 582 H GLY 71 H GLY 71 -5.295 9.829 6.796 583 HA2 GLY 71 HA2 GLY 71 -7.413 10.073 7.728 584 HA3 GLY 71 HA3 GLY 71 -7.461 11.772 7.279 585 H LEU 72 H LEU 72 -7.179 8.523 5.760 586 HA LEU 72 HA LEU 72 -9.238 9.233 3.716 587 HB2 LEU 72 HB2 LEU 72 -7.146 9.163 2.523 588 HB3 LEU 72 HB3 LEU 72 -6.625 7.717 3.396 589 HG LEU 72 HG LEU 72 -8.479 6.432 2.193 590 HD11 LEU 72 HD11 LEU 72 -8.579 8.951 0.469 591 HD12 LEU 72 HD12 LEU 72 -9.888 8.415 1.534 592 HD13 LEU 72 HD13 LEU 72 -9.423 7.415 0.158 593 HD21 LEU 72 HD21 LEU 72 -7.227 6.226 0.141 594 HD22 LEU 72 HD22 LEU 72 -6.158 6.325 1.546 595 HD23 LEU 72 HD23 LEU 72 -6.355 7.746 0.483 596 H ARG 73 H ARG 73 -10.643 7.487 3.257 597 HA ARG 73 HA ARG 73 -10.456 5.059 4.963 598 HB2 ARG 73 HB2 ARG 73 -12.944 5.032 4.894 599 HB3 ARG 73 HB3 ARG 73 -12.283 6.346 5.847 600 HG2 ARG 73 HG2 ARG 73 -13.039 6.914 2.968 601 HG3 ARG 73 HG3 ARG 73 -14.307 6.683 4.131 602 HD2 ARG 73 HD2 ARG 73 -12.079 8.721 4.553 603 HD3 ARG 73 HD3 ARG 73 -13.575 9.059 3.678 604 HE ARG 73 HE ARG 73 -14.164 7.917 6.240 605 HH11 ARG 73 HH11 ARG 73 -12.975 10.983 4.829 606 HH12 ARG 73 HH12 ARG 73 -13.756 11.980 5.998 607 HH21 ARG 73 HH21 ARG 73 -15.358 9.240 7.654 608 HH22 ARG 73 HH22 ARG 73 -15.254 10.944 7.578 609 H CYS 74 H CYS 74 -10.733 3.094 3.819 610 HA CYS 74 HA CYS 74 -12.334 3.068 1.436 611 HB2 CYS 74 HB2 CYS 74 -10.614 2.111 -0.056 612 HB3 CYS 74 HB3 CYS 74 -10.362 3.854 0.258 613 HG CYS 74 HG CYS 74 -9.032 1.954 2.478 614 H ARG 75 H ARG 75 -12.364 0.837 0.410 615 HA ARG 75 HA ARG 75 -12.054 -1.276 2.454 616 HB2 ARG 75 HB2 ARG 75 -13.411 -1.070 -0.208 617 HB3 ARG 75 HB3 ARG 75 -12.710 -2.608 0.248 618 HG2 ARG 75 HG2 ARG 75 -14.903 -2.735 1.071 619 HG3 ARG 75 HG3 ARG 75 -13.865 -2.519 2.444 620 HD2 ARG 75 HD2 ARG 75 -15.731 -1.040 2.782 621 HD3 ARG 75 HD3 ARG 75 -14.331 -0.059 2.406 622 HE ARG 75 HE ARG 75 -15.131 0.408 0.241 623 HH11 ARG 75 HH11 ARG 75 -17.433 -1.713 2.084 624 HH12 ARG 75 HH12 ARG 75 -18.826 -1.128 1.269 625 HH21 ARG 75 HH21 ARG 75 -17.111 0.977 -0.989 626 HH22 ARG 75 HH22 ARG 75 -18.651 0.346 -0.488 627 H TRP 76 H TRP 76 -10.677 -2.977 2.191 628 HA TRP 76 HA TRP 76 -8.744 -2.801 -0.023 629 HB2 TRP 76 HB2 TRP 76 -8.198 -3.774 2.759 630 HB3 TRP 76 HB3 TRP 76 -7.437 -4.594 1.403 631 HD1 TRP 76 HD1 TRP 76 -7.872 -0.841 2.186 632 HE1 TRP 76 HE1 TRP 76 -5.671 0.358 1.664 633 HE3 TRP 76 HE3 TRP 76 -4.878 -4.809 0.560 634 HZ2 TRP 76 HZ2 TRP 76 -2.922 -0.320 1.354 635 HZ3 TRP 76 HZ3 TRP 76 -2.522 -4.463 0.263 636 HH2 TRP 76 HH2 TRP 76 -1.484 -2.222 0.621 637 H LYS 77 H LYS 77 -8.992 -4.629 -1.437 638 HA LYS 77 HA LYS 77 -10.231 -7.041 -0.225 639 HB2 LYS 77 HB2 LYS 77 -11.641 -6.105 -2.073 640 HB3 LYS 77 HB3 LYS 77 -10.284 -6.310 -3.185 641 HG2 LYS 77 HG2 LYS 77 -10.456 -8.593 -3.212 642 HG3 LYS 77 HG3 LYS 77 -10.988 -8.710 -1.546 643 HD2 LYS 77 HD2 LYS 77 -13.233 -7.912 -2.183 644 HD3 LYS 77 HD3 LYS 77 -12.744 -7.885 -3.888 645 HE2 LYS 77 HE2 LYS 77 -12.716 -10.202 -4.066 646 HE3 LYS 77 HE3 LYS 77 -12.251 -10.437 -2.374 647 HZ1 LYS 77 HZ1 LYS 77 -14.958 -9.510 -3.083 648 HZ2 LYS 77 HZ2 LYS 77 -14.406 -10.149 -1.656 649 HZ3 LYS 77 HZ3 LYS 77 -14.563 -11.104 -2.967 650 H VAL 78 H VAL 78 -8.458 -8.165 0.411 651 HA VAL 78 HA VAL 78 -5.910 -7.934 -0.997 652 HB VAL 78 HB VAL 78 -6.657 -9.831 1.248 653 HG11 VAL 78 HG11 VAL 78 -4.192 -9.546 1.765 654 HG12 VAL 78 HG12 VAL 78 -4.578 -10.315 0.239 655 HG13 VAL 78 HG13 VAL 78 -4.042 -8.623 0.243 656 HG21 VAL 78 HG21 VAL 78 -5.858 -6.893 1.497 657 HG22 VAL 78 HG22 VAL 78 -7.287 -7.693 2.182 658 HG23 VAL 78 HG23 VAL 78 -5.700 -8.089 2.817 659 H LEU 79 H LEU 79 -5.898 -9.047 -2.880 660 HA LEU 79 HA LEU 79 -7.829 -11.285 -3.227 661 HB2 LEU 79 HB2 LEU 79 -6.333 -9.503 -5.144 662 HB3 LEU 79 HB3 LEU 79 -7.057 -11.026 -5.683 663 HG LEU 79 HG LEU 79 -8.533 -8.717 -4.366 664 HD11 LEU 79 HD11 LEU 79 -7.760 -8.083 -6.549 665 HD12 LEU 79 HD12 LEU 79 -9.494 -8.382 -6.631 666 HD13 LEU 79 HD13 LEU 79 -8.369 -9.592 -7.268 667 HD21 LEU 79 HD21 LEU 79 -9.556 -11.326 -5.571 668 HD22 LEU 79 HD22 LEU 79 -10.592 -9.937 -5.246 669 HD23 LEU 79 HD23 LEU 79 -9.780 -10.765 -3.912 670 H GLU 80 H GLU 80 -4.481 -10.737 -2.531 671 HA GLU 80 HA GLU 80 -4.361 -13.548 -2.084 672 HB2 GLU 80 HB2 GLU 80 -2.552 -12.256 -4.159 673 HB3 GLU 80 HB3 GLU 80 -1.832 -13.383 -3.050 674 HG2 GLU 80 HG2 GLU 80 -4.032 -14.810 -3.837 675 HG3 GLU 80 HG3 GLU 80 -3.739 -13.860 -5.269 676 HA PRO 81 HA PRO 81 -2.523 -12.069 1.516 677 HB2 PRO 81 HB2 PRO 81 -0.613 -13.979 2.194 678 HB3 PRO 81 HB3 PRO 81 -2.378 -14.169 2.400 679 HG2 PRO 81 HG2 PRO 81 -0.645 -15.157 0.139 680 HG3 PRO 81 HG3 PRO 81 -1.950 -16.023 1.018 681 HD2 PRO 81 HD2 PRO 81 -2.383 -14.877 -1.395 682 HD3 PRO 81 HD3 PRO 81 -3.630 -14.831 -0.123 683 H VAL 82 H VAL 82 -1.342 -10.313 1.594 684 HA VAL 82 HA VAL 82 0.777 -9.929 -0.387 685 HB VAL 82 HB VAL 82 -1.285 -8.419 0.152 686 HG11 VAL 82 HG11 VAL 82 0.638 -7.291 2.231 687 HG12 VAL 82 HG12 VAL 82 -0.905 -6.609 1.713 688 HG13 VAL 82 HG13 VAL 82 -0.871 -8.167 2.579 689 HG21 VAL 82 HG21 VAL 82 1.410 -7.092 -0.265 690 HG22 VAL 82 HG22 VAL 82 0.318 -7.739 -1.511 691 HG23 VAL 82 HG23 VAL 82 -0.186 -6.361 -0.544 692 H ARG 83 H ARG 83 2.790 -8.820 0.136 693 HA ARG 83 HA ARG 83 3.343 -8.460 2.990 694 HB2 ARG 83 HB2 ARG 83 4.714 -10.484 1.558 695 HB3 ARG 83 HB3 ARG 83 5.853 -9.140 1.595 696 HG2 ARG 83 HG2 ARG 83 5.812 -9.070 4.008 697 HG3 ARG 83 HG3 ARG 83 4.380 -10.090 4.060 698 HD2 ARG 83 HD2 ARG 83 5.901 -11.902 2.908 699 HD3 ARG 83 HD3 ARG 83 7.233 -10.927 3.480 700 HE ARG 83 HE ARG 83 6.918 -11.760 5.559 701 HH11 ARG 83 HH11 ARG 83 4.040 -12.589 3.593 702 HH12 ARG 83 HH12 ARG 83 3.120 -13.069 5.008 703 HH21 ARG 83 HH21 ARG 83 5.736 -12.792 7.313 704 HH22 ARG 83 HH22 ARG 83 4.078 -13.246 7.035 705 H LYS 84 H LYS 84 3.795 -6.350 3.275 706 HA LYS 84 HA LYS 84 5.272 -4.956 1.189 707 HB2 LYS 84 HB2 LYS 84 3.853 -2.932 1.328 708 HB3 LYS 84 HB3 LYS 84 3.196 -4.294 0.452 709 HG2 LYS 84 HG2 LYS 84 1.458 -3.114 1.540 710 HG3 LYS 84 HG3 LYS 84 1.557 -4.744 2.177 711 HD2 LYS 84 HD2 LYS 84 2.325 -3.972 4.295 712 HD3 LYS 84 HD3 LYS 84 3.060 -2.753 3.738 713 HE2 LYS 84 HE2 LYS 84 1.120 -2.041 5.076 714 HE3 LYS 84 HE3 LYS 84 1.355 -1.193 3.550 715 HZ1 LYS 84 HZ1 LYS 84 -0.714 -3.156 4.182 716 HZ2 LYS 84 HZ2 LYS 84 -0.416 -2.612 2.623 717 HZ3 LYS 84 HZ3 LYS 84 -0.847 -1.577 3.808 718 H HIS 85 H HIS 85 6.650 -3.513 1.938 719 HA HIS 85 HA HIS 85 7.045 -3.263 4.871 720 HB2 HIS 85 HB2 HIS 85 8.570 -2.491 2.371 721 HB3 HIS 85 HB3 HIS 85 8.826 -1.557 3.836 722 HD1 HIS 85 HD1 HIS 85 10.199 -4.657 2.300 723 HD2 HIS 85 HD2 HIS 85 9.428 -3.053 6.120 724 HE1 HIS 85 HE1 HIS 85 11.664 -5.952 3.965 725 H TYR 86 H TYR 86 5.537 -1.905 5.766 726 HA TYR 86 HA TYR 86 4.536 0.423 4.211 727 HB2 TYR 86 HB2 TYR 86 2.860 0.795 5.770 728 HB3 TYR 86 HB3 TYR 86 2.791 -0.921 5.458 729 HD1 TYR 86 HD1 TYR 86 4.278 -2.400 7.221 730 HD2 TYR 86 HD2 TYR 86 2.557 1.496 7.991 731 HE1 TYR 86 HE1 TYR 86 4.211 -2.907 9.614 732 HE2 TYR 86 HE2 TYR 86 2.543 1.001 10.410 733 HH TYR 86 HH TYR 86 2.552 -1.746 11.769 734 H ASN 87 H ASN 87 4.782 2.533 5.343 735 HA ASN 87 HA ASN 87 5.873 2.293 7.949 736 HB2 ASN 87 HB2 ASN 87 7.986 2.552 6.541 737 HB3 ASN 87 HB3 ASN 87 7.450 4.197 6.177 738 HD21 ASN 87 HD21 ASN 87 9.308 5.033 7.359 739 HD22 ASN 87 HD22 ASN 87 9.427 4.927 9.097 740 H LEU 88 H LEU 88 5.236 3.910 9.214 741 HA LEU 88 HA LEU 88 3.191 5.787 8.273 742 HB2 LEU 88 HB2 LEU 88 4.543 5.341 10.974 743 HB3 LEU 88 HB3 LEU 88 3.182 6.426 10.709 744 HG LEU 88 HG LEU 88 3.022 3.431 10.112 745 HD11 LEU 88 HD11 LEU 88 1.893 3.168 12.274 746 HD12 LEU 88 HD12 LEU 88 2.254 4.864 12.676 747 HD13 LEU 88 HD13 LEU 88 3.572 3.696 12.475 748 HD21 LEU 88 HD21 LEU 88 1.298 4.791 9.008 749 HD22 LEU 88 HD22 LEU 88 0.869 5.543 10.559 750 HD23 LEU 88 HD23 LEU 88 0.594 3.805 10.292 751 H PHE 89 H PHE 89 3.520 8.224 8.738 752 HA PHE 89 HA PHE 89 6.025 9.002 9.761 753 HB2 PHE 89 HB2 PHE 89 6.617 10.660 8.006 754 HB3 PHE 89 HB3 PHE 89 6.973 9.008 7.605 755 HD1 PHE 89 HD1 PHE 89 5.123 7.757 6.090 756 HD2 PHE 89 HD2 PHE 89 5.643 12.031 6.393 757 HE1 PHE 89 HE1 PHE 89 4.201 8.025 3.820 758 HE2 PHE 89 HE2 PHE 89 4.752 12.298 4.099 759 HZ PHE 89 HZ PHE 89 4.047 10.302 2.791 Start of MODEL 19 1 H1 MET 1 H1 MET 1 0.003 15.002 -3.288 2 HA MET 1 HA MET 1 -2.295 15.402 -1.440 3 HB2 MET 1 HB2 MET 1 -1.761 16.321 -4.271 4 HB3 MET 1 HB3 MET 1 -3.411 15.869 -3.832 5 HG2 MET 1 HG2 MET 1 -3.134 18.214 -3.498 6 HG3 MET 1 HG3 MET 1 -3.447 17.384 -1.973 7 HE1 MET 1 HE1 MET 1 -2.388 20.442 -2.261 8 HE2 MET 1 HE2 MET 1 -2.930 19.569 -0.806 9 HE3 MET 1 HE3 MET 1 -1.376 20.407 -0.801 10 H GLU 2 H GLU 2 -4.133 14.099 -1.697 11 HA GLU 2 HA GLU 2 -5.053 12.103 -1.640 12 HB2 GLU 2 HB2 GLU 2 -6.140 11.661 -3.558 13 HB3 GLU 2 HB3 GLU 2 -5.530 13.262 -3.925 14 HG2 GLU 2 HG2 GLU 2 -3.510 11.770 -5.001 15 HG3 GLU 2 HG3 GLU 2 -4.840 10.593 -5.071 16 H VAL 3 H VAL 3 -5.016 9.690 -2.796 17 HA VAL 3 HA VAL 3 -2.515 8.543 -1.794 18 HB VAL 3 HB VAL 3 -4.596 7.338 -1.584 19 HG11 VAL 3 HG11 VAL 3 -5.836 8.014 -3.526 20 HG12 VAL 3 HG12 VAL 3 -4.731 7.159 -4.605 21 HG13 VAL 3 HG13 VAL 3 -5.702 6.242 -3.455 22 HG21 VAL 3 HG21 VAL 3 -2.696 5.932 -3.557 23 HG22 VAL 3 HG22 VAL 3 -2.467 6.030 -1.798 24 HG23 VAL 3 HG23 VAL 3 -3.831 5.118 -2.477 25 H LYS 4 H LYS 4 -0.747 8.017 -2.964 26 HA LYS 4 HA LYS 4 -0.873 8.365 -5.921 27 HB2 LYS 4 HB2 LYS 4 0.794 9.701 -4.001 28 HB3 LYS 4 HB3 LYS 4 1.835 8.523 -4.745 29 HG2 LYS 4 HG2 LYS 4 1.863 10.695 -5.977 30 HG3 LYS 4 HG3 LYS 4 1.212 9.413 -7.009 31 HD2 LYS 4 HD2 LYS 4 -1.116 10.250 -6.543 32 HD3 LYS 4 HD3 LYS 4 -0.447 11.511 -5.494 33 HE2 LYS 4 HE2 LYS 4 0.613 12.579 -7.389 34 HE3 LYS 4 HE3 LYS 4 0.362 11.147 -8.398 35 HZ1 LYS 4 HZ1 LYS 4 -1.241 12.732 -8.991 36 HZ2 LYS 4 HZ2 LYS 4 -1.782 12.941 -7.449 37 HZ3 LYS 4 HZ3 LYS 4 -2.033 11.524 -8.262 38 H ILE 5 H ILE 5 -0.200 6.788 -7.156 39 HA ILE 5 HA ILE 5 0.931 4.329 -5.985 40 HB ILE 5 HB ILE 5 -1.446 4.365 -7.920 41 HG12 ILE 5 HG12 ILE 5 -1.442 3.499 -4.998 42 HG13 ILE 5 HG13 ILE 5 -2.214 4.942 -5.666 43 HG21 ILE 5 HG21 ILE 5 0.235 2.504 -8.220 44 HG22 ILE 5 HG22 ILE 5 -0.096 2.007 -6.561 45 HG23 ILE 5 HG23 ILE 5 -1.379 1.959 -7.788 46 HD11 ILE 5 HD11 ILE 5 -3.908 3.263 -5.330 47 HD12 ILE 5 HD12 ILE 5 -3.673 3.417 -7.073 48 HD13 ILE 5 HD13 ILE 5 -2.992 2.030 -6.200 49 H GLU 6 H GLU 6 2.817 4.170 -7.132 50 HA GLU 6 HA GLU 6 2.793 4.560 -10.056 51 HB2 GLU 6 HB2 GLU 6 4.934 5.924 -8.355 52 HB3 GLU 6 HB3 GLU 6 4.702 6.016 -10.099 53 HG2 GLU 6 HG2 GLU 6 2.458 7.133 -9.623 54 HG3 GLU 6 HG3 GLU 6 3.045 7.284 -7.927 55 H LYS 7 H LYS 7 5.121 3.928 -10.889 56 HA LYS 7 HA LYS 7 6.116 1.635 -9.221 57 HB2 LYS 7 HB2 LYS 7 6.331 1.785 -12.225 58 HB3 LYS 7 HB3 LYS 7 6.722 0.477 -11.122 59 HG2 LYS 7 HG2 LYS 7 4.740 -0.255 -11.954 60 HG3 LYS 7 HG3 LYS 7 4.196 0.511 -10.472 61 HD2 LYS 7 HD2 LYS 7 3.061 2.171 -11.575 62 HD3 LYS 7 HD3 LYS 7 4.250 2.322 -12.864 63 HE2 LYS 7 HE2 LYS 7 2.290 0.004 -12.578 64 HE3 LYS 7 HE3 LYS 7 2.013 1.423 -13.605 65 HZ1 LYS 7 HZ1 LYS 7 2.998 -0.571 -14.722 66 HZ2 LYS 7 HZ2 LYS 7 4.375 -0.310 -13.917 67 HZ3 LYS 7 HZ3 LYS 7 3.816 0.841 -14.981 68 HA PRO 8 HA PRO 8 9.371 4.846 -9.546 69 HB2 PRO 8 HB2 PRO 8 10.319 4.796 -7.007 70 HB3 PRO 8 HB3 PRO 8 8.776 5.600 -7.417 71 HG2 PRO 8 HG2 PRO 8 9.221 2.790 -6.347 72 HG3 PRO 8 HG3 PRO 8 8.147 4.055 -5.717 73 HD2 PRO 8 HD2 PRO 8 7.259 2.104 -7.393 74 HD3 PRO 8 HD3 PRO 8 6.624 3.758 -7.480 75 H THR 9 H THR 9 11.732 4.826 -9.241 76 HA THR 9 HA THR 9 12.955 2.519 -10.330 77 HB THR 9 HB THR 9 13.760 4.679 -10.819 78 HG1 THR 9 HG1 THR 9 15.983 4.474 -10.136 79 HG21 THR 9 HG21 THR 9 14.861 6.111 -9.136 80 HG22 THR 9 HG22 THR 9 14.403 4.975 -7.861 81 HG23 THR 9 HG23 THR 9 13.171 5.883 -8.782 82 HA PRO 10 HA PRO 10 13.743 0.092 -6.615 83 HB2 PRO 10 HB2 PRO 10 15.935 -1.371 -7.383 84 HB3 PRO 10 HB3 PRO 10 14.293 -1.676 -8.013 85 HG2 PRO 10 HG2 PRO 10 16.486 -0.058 -9.324 86 HG3 PRO 10 HG3 PRO 10 15.473 -1.363 -10.041 87 HD2 PRO 10 HD2 PRO 10 14.838 1.239 -10.415 88 HD3 PRO 10 HD3 PRO 10 13.548 0.025 -10.048 89 H GLU 11 H GLU 11 16.213 2.192 -7.994 90 HA GLU 11 HA GLU 11 18.184 1.974 -6.033 91 HB2 GLU 11 HB2 GLU 11 17.608 3.480 -8.396 92 HB3 GLU 11 HB3 GLU 11 18.023 4.664 -7.175 93 HG2 GLU 11 HG2 GLU 11 19.745 2.235 -7.703 94 HG3 GLU 11 HG3 GLU 11 19.874 3.669 -8.676 95 H LYS 12 H LYS 12 15.751 4.603 -6.341 96 HA LYS 12 HA LYS 12 16.375 5.838 -3.931 97 HB2 LYS 12 HB2 LYS 12 14.994 6.815 -5.739 98 HB3 LYS 12 HB3 LYS 12 13.692 5.746 -5.348 99 HG2 LYS 12 HG2 LYS 12 12.993 7.647 -4.259 100 HG3 LYS 12 HG3 LYS 12 13.812 6.819 -2.940 101 HD2 LYS 12 HD2 LYS 12 15.955 8.109 -3.840 102 HD3 LYS 12 HD3 LYS 12 14.783 9.167 -4.606 103 HE2 LYS 12 HE2 LYS 12 14.931 8.517 -1.628 104 HE3 LYS 12 HE3 LYS 12 15.588 9.975 -2.403 105 HZ1 LYS 12 HZ1 LYS 12 12.711 9.246 -2.400 106 HZ2 LYS 12 HZ2 LYS 12 13.394 10.613 -3.008 107 HZ3 LYS 12 HZ3 LYS 12 13.390 10.346 -1.404 108 H LEU 13 H LEU 13 14.045 3.176 -4.437 109 HA LEU 13 HA LEU 13 13.110 2.885 -1.796 110 HB2 LEU 13 HB2 LEU 13 13.690 0.867 -3.966 111 HB3 LEU 13 HB3 LEU 13 13.004 0.359 -2.429 112 HG LEU 13 HG LEU 13 11.749 2.696 -3.820 113 HD11 LEU 13 HD11 LEU 13 10.333 1.209 -5.187 114 HD12 LEU 13 HD12 LEU 13 11.316 -0.187 -4.688 115 HD13 LEU 13 HD13 LEU 13 12.034 1.095 -5.638 116 HD21 LEU 13 HD21 LEU 13 9.697 2.015 -2.994 117 HD22 LEU 13 HD22 LEU 13 10.883 2.326 -1.726 118 HD23 LEU 13 HD23 LEU 13 10.460 0.636 -2.143 119 H LYS 14 H LYS 14 16.261 1.607 -3.118 120 HA LYS 14 HA LYS 14 16.890 0.181 -0.713 121 HB2 LYS 14 HB2 LYS 14 18.386 1.093 -3.151 122 HB3 LYS 14 HB3 LYS 14 19.313 1.012 -1.658 123 HG2 LYS 14 HG2 LYS 14 19.587 -1.079 -2.607 124 HG3 LYS 14 HG3 LYS 14 18.457 -1.318 -1.299 125 HD2 LYS 14 HD2 LYS 14 17.617 -1.081 -4.221 126 HD3 LYS 14 HD3 LYS 14 18.050 -2.599 -3.426 127 HE2 LYS 14 HE2 LYS 14 16.299 -1.736 -1.599 128 HE3 LYS 14 HE3 LYS 14 15.647 -0.853 -2.997 129 HZ1 LYS 14 HZ1 LYS 14 15.390 -2.973 -4.115 130 HZ2 LYS 14 HZ2 LYS 14 14.627 -3.042 -2.666 131 HZ3 LYS 14 HZ3 LYS 14 16.052 -3.791 -2.863 132 H GLU 15 H GLU 15 17.565 3.491 -1.828 133 HA GLU 15 HA GLU 15 19.018 4.302 0.461 134 HB2 GLU 15 HB2 GLU 15 17.367 6.187 -1.250 135 HB3 GLU 15 HB3 GLU 15 18.852 6.513 -0.333 136 HG2 GLU 15 HG2 GLU 15 19.830 4.599 -1.919 137 HG3 GLU 15 HG3 GLU 15 18.468 5.059 -2.933 138 H LEU 16 H LEU 16 15.625 4.431 -0.233 139 HA LEU 16 HA LEU 16 14.693 5.923 2.004 140 HB2 LEU 16 HB2 LEU 16 13.547 4.274 -0.114 141 HB3 LEU 16 HB3 LEU 16 12.706 3.976 1.377 142 HG LEU 16 HG LEU 16 11.947 6.192 1.608 143 HD11 LEU 16 HD11 LEU 16 12.481 7.955 -0.099 144 HD12 LEU 16 HD12 LEU 16 13.838 6.923 -0.661 145 HD13 LEU 16 HD13 LEU 16 13.806 7.580 0.995 146 HD21 LEU 16 HD21 LEU 16 10.732 6.474 -0.500 147 HD22 LEU 16 HD22 LEU 16 10.787 4.757 -0.034 148 HD23 LEU 16 HD23 LEU 16 11.841 5.369 -1.336 149 H SER 17 H SER 17 16.245 2.996 2.197 150 HA SER 17 HA SER 17 16.629 1.474 3.707 151 HB2 SER 17 HB2 SER 17 16.539 2.017 6.047 152 HB3 SER 17 HB3 SER 17 17.228 3.312 5.086 153 HG SER 17 HG SER 17 15.864 3.985 6.756 154 H VAL 18 H VAL 18 14.096 1.205 2.280 155 HA VAL 18 HA VAL 18 11.962 0.616 3.929 156 HB VAL 18 HB VAL 18 12.485 -0.722 1.269 157 HG11 VAL 18 HG11 VAL 18 10.068 -0.726 1.021 158 HG12 VAL 18 HG12 VAL 18 10.592 -1.643 2.455 159 HG13 VAL 18 HG13 VAL 18 9.895 -0.029 2.648 160 HG21 VAL 18 HG21 VAL 18 12.733 1.736 1.030 161 HG22 VAL 18 HG22 VAL 18 11.231 1.195 0.291 162 HG23 VAL 18 HG23 VAL 18 11.209 1.974 1.892 163 H GLU 19 H GLU 19 14.689 -1.599 3.220 164 HA GLU 19 HA GLU 19 13.350 -3.953 4.203 165 HB2 GLU 19 HB2 GLU 19 15.649 -4.808 4.638 166 HB3 GLU 19 HB3 GLU 19 15.393 -4.254 2.983 167 HG2 GLU 19 HG2 GLU 19 16.674 -2.323 3.274 168 HG3 GLU 19 HG3 GLU 19 16.545 -2.329 5.009 169 H LYS 20 H LYS 20 14.571 -1.180 5.868 170 HA LYS 20 HA LYS 20 14.781 -2.478 8.504 171 HB2 LYS 20 HB2 LYS 20 15.027 0.490 7.840 172 HB3 LYS 20 HB3 LYS 20 15.616 -0.340 9.245 173 HG2 LYS 20 HG2 LYS 20 17.243 -1.588 7.649 174 HG3 LYS 20 HG3 LYS 20 16.733 -0.390 6.443 175 HD2 LYS 20 HD2 LYS 20 17.352 1.428 8.024 176 HD3 LYS 20 HD3 LYS 20 17.999 0.245 9.161 177 HE2 LYS 20 HE2 LYS 20 18.952 0.325 6.285 178 HE3 LYS 20 HE3 LYS 20 19.560 1.518 7.444 179 HZ1 LYS 20 HZ1 LYS 20 20.529 -0.137 8.728 180 HZ2 LYS 20 HZ2 LYS 20 20.940 -0.485 7.192 181 HZ3 LYS 20 HZ3 LYS 20 19.767 -1.376 7.975 182 H TRP 21 H TRP 21 12.294 -1.266 6.548 183 HA TRP 21 HA TRP 21 10.878 0.281 8.585 184 HB2 TRP 21 HB2 TRP 21 10.043 -0.787 5.857 185 HB3 TRP 21 HB3 TRP 21 9.033 0.175 6.878 186 HD1 TRP 21 HD1 TRP 21 12.489 1.572 7.023 187 HE1 TRP 21 HE1 TRP 21 12.757 3.530 5.477 188 HE3 TRP 21 HE3 TRP 21 8.140 1.103 4.334 189 HZ2 TRP 21 HZ2 TRP 21 11.206 4.901 3.437 190 HZ3 TRP 21 HZ3 TRP 21 7.601 2.727 2.549 191 HH2 TRP 21 HH2 TRP 21 9.171 4.670 2.099 192 HA PRO 22 HA PRO 22 8.858 -3.316 10.249 193 HB2 PRO 22 HB2 PRO 22 6.267 -2.559 10.695 194 HB3 PRO 22 HB3 PRO 22 7.668 -1.976 11.647 195 HG2 PRO 22 HG2 PRO 22 6.344 -0.567 9.332 196 HG3 PRO 22 HG3 PRO 22 6.742 0.101 10.950 197 HD2 PRO 22 HD2 PRO 22 8.391 0.487 8.858 198 HD3 PRO 22 HD3 PRO 22 9.073 0.125 10.462 199 H ILE 23 H ILE 23 8.146 -5.129 9.410 200 HA ILE 23 HA ILE 23 6.897 -5.335 6.773 201 HB ILE 23 HB ILE 23 7.796 -7.238 8.959 202 HG12 ILE 23 HG12 ILE 23 8.493 -6.894 6.004 203 HG13 ILE 23 HG13 ILE 23 9.440 -6.270 7.344 204 HG21 ILE 23 HG21 ILE 23 5.639 -8.210 7.921 205 HG22 ILE 23 HG22 ILE 23 6.591 -8.440 6.442 206 HG23 ILE 23 HG23 ILE 23 7.061 -9.220 7.946 207 HD11 ILE 23 HD11 ILE 23 9.051 -9.149 6.555 208 HD12 ILE 23 HD12 ILE 23 10.535 -8.188 6.611 209 HD13 ILE 23 HD13 ILE 23 9.745 -8.643 8.136 210 H TRP 24 H TRP 24 4.840 -5.942 6.419 211 HA TRP 24 HA TRP 24 3.137 -6.737 8.637 212 HB2 TRP 24 HB2 TRP 24 2.799 -4.296 8.424 213 HB3 TRP 24 HB3 TRP 24 2.385 -4.481 6.730 214 HD1 TRP 24 HD1 TRP 24 0.956 -4.385 10.121 215 HE1 TRP 24 HE1 TRP 24 -1.590 -4.553 10.001 216 HE3 TRP 24 HE3 TRP 24 0.591 -5.969 5.317 217 HZ2 TRP 24 HZ2 TRP 24 -3.570 -5.095 7.904 218 HZ3 TRP 24 HZ3 TRP 24 -1.597 -6.116 4.213 219 HH2 TRP 24 HH2 TRP 24 -3.677 -5.619 5.500 220 H GLU 25 H GLU 25 1.588 -8.256 7.909 221 HA GLU 25 HA GLU 25 1.273 -8.853 5.093 222 HB2 GLU 25 HB2 GLU 25 1.379 -11.341 5.845 223 HB3 GLU 25 HB3 GLU 25 2.807 -10.464 5.356 224 HG2 GLU 25 HG2 GLU 25 3.807 -10.631 7.358 225 HG3 GLU 25 HG3 GLU 25 2.335 -10.352 8.273 226 H LYS 26 H LYS 26 -0.761 -10.380 4.869 227 HA LYS 26 HA LYS 26 -2.494 -10.410 7.234 228 HB2 LYS 26 HB2 LYS 26 -2.668 -8.251 5.460 229 HB3 LYS 26 HB3 LYS 26 -3.920 -9.295 4.858 230 HG2 LYS 26 HG2 LYS 26 -3.717 -8.371 7.771 231 HG3 LYS 26 HG3 LYS 26 -4.652 -7.550 6.524 232 HD2 LYS 26 HD2 LYS 26 -5.870 -9.704 6.122 233 HD3 LYS 26 HD3 LYS 26 -5.114 -10.300 7.600 234 HE2 LYS 26 HE2 LYS 26 -6.199 -8.591 8.943 235 HE3 LYS 26 HE3 LYS 26 -6.945 -7.904 7.500 236 HZ1 LYS 26 HZ1 LYS 26 -8.453 -9.391 8.658 237 HZ2 LYS 26 HZ2 LYS 26 -7.412 -10.660 8.487 238 HZ3 LYS 26 HZ3 LYS 26 -8.110 -9.996 7.157 239 H GLU 27 H GLU 27 -4.719 -11.504 6.530 240 HA GLU 27 HA GLU 27 -4.352 -13.922 5.069 241 HB2 GLU 27 HB2 GLU 27 -5.809 -13.145 7.187 242 HB3 GLU 27 HB3 GLU 27 -6.964 -12.654 5.987 243 HG2 GLU 27 HG2 GLU 27 -6.955 -15.081 5.232 244 HG3 GLU 27 HG3 GLU 27 -5.858 -15.453 6.565 245 H VAL 28 H VAL 28 -6.437 -14.317 3.811 246 HA VAL 28 HA VAL 28 -6.224 -12.654 1.373 247 HB VAL 28 HB VAL 28 -7.290 -15.467 1.754 248 HG11 VAL 28 HG11 VAL 28 -7.900 -14.689 -0.433 249 HG12 VAL 28 HG12 VAL 28 -6.280 -13.983 -0.711 250 HG13 VAL 28 HG13 VAL 28 -6.521 -15.751 -0.677 251 HG21 VAL 28 HG21 VAL 28 -4.948 -16.157 0.885 252 HG22 VAL 28 HG22 VAL 28 -4.453 -14.512 1.310 253 HG23 VAL 28 HG23 VAL 28 -5.069 -15.621 2.557 254 H SER 29 H SER 29 -8.228 -12.479 3.880 255 HA SER 29 HA SER 29 -10.777 -12.350 2.457 256 HB2 SER 29 HB2 SER 29 -10.449 -13.055 4.897 257 HB3 SER 29 HB3 SER 29 -10.154 -11.370 5.267 258 HG SER 29 HG SER 29 -12.323 -11.786 5.547 259 H GLU 30 H GLU 30 -11.993 -10.164 2.936 260 HA GLU 30 HA GLU 30 -10.227 -7.873 2.122 261 HB2 GLU 30 HB2 GLU 30 -12.210 -6.806 1.209 262 HB3 GLU 30 HB3 GLU 30 -11.992 -8.416 0.499 263 HG2 GLU 30 HG2 GLU 30 -13.785 -9.316 1.961 264 HG3 GLU 30 HG3 GLU 30 -13.965 -7.713 2.688 265 H PHE 31 H PHE 31 -10.752 -5.763 3.167 266 HA PHE 31 HA PHE 31 -12.601 -5.639 5.351 267 HB2 PHE 31 HB2 PHE 31 -10.812 -4.773 6.959 268 HB3 PHE 31 HB3 PHE 31 -10.890 -6.494 6.726 269 HD1 PHE 31 HD1 PHE 31 -8.913 -3.448 5.835 270 HD2 PHE 31 HD2 PHE 31 -9.112 -7.752 5.878 271 HE1 PHE 31 HE1 PHE 31 -6.553 -3.584 5.085 272 HE2 PHE 31 HE2 PHE 31 -6.739 -7.866 5.185 273 HZ PHE 31 HZ PHE 31 -5.514 -5.801 4.633 274 H ASP 32 H ASP 32 -12.308 -3.273 6.354 275 HA ASP 32 HA ASP 32 -11.726 -1.341 4.231 276 HB2 ASP 32 HB2 ASP 32 -13.041 0.068 6.111 277 HB3 ASP 32 HB3 ASP 32 -13.773 -0.744 4.697 278 H TRP 33 H TRP 33 -9.994 -0.105 4.470 279 HA TRP 33 HA TRP 33 -8.843 0.142 7.219 280 HB2 TRP 33 HB2 TRP 33 -7.537 -1.177 5.488 281 HB3 TRP 33 HB3 TRP 33 -7.347 0.322 4.577 282 HD1 TRP 33 HD1 TRP 33 -5.768 2.182 5.658 283 HE1 TRP 33 HE1 TRP 33 -3.913 2.100 7.411 284 HE3 TRP 33 HE3 TRP 33 -7.017 -2.217 7.914 285 HZ2 TRP 33 HZ2 TRP 33 -2.975 0.261 9.404 286 HZ3 TRP 33 HZ3 TRP 33 -5.750 -3.007 9.878 287 HH2 TRP 33 HH2 TRP 33 -3.695 -1.749 10.640 288 H TYR 34 H TYR 34 -8.166 2.190 7.897 289 HA TYR 34 HA TYR 34 -8.864 4.510 6.157 290 HB2 TYR 34 HB2 TYR 34 -10.346 4.080 8.202 291 HB3 TYR 34 HB3 TYR 34 -8.937 4.464 9.200 292 HD1 TYR 34 HD1 TYR 34 -7.904 6.864 8.875 293 HD2 TYR 34 HD2 TYR 34 -11.777 5.712 7.425 294 HE1 TYR 34 HE1 TYR 34 -8.477 9.249 8.554 295 HE2 TYR 34 HE2 TYR 34 -12.407 8.105 7.200 296 HH TYR 34 HH TYR 34 -10.130 10.799 7.566 297 H TYR 35 H TYR 35 -7.343 6.183 6.151 298 HA TYR 35 HA TYR 35 -4.712 5.614 7.488 299 HB2 TYR 35 HB2 TYR 35 -5.182 6.784 4.708 300 HB3 TYR 35 HB3 TYR 35 -3.648 6.744 5.560 301 HD1 TYR 35 HD1 TYR 35 -2.644 4.464 6.222 302 HD2 TYR 35 HD2 TYR 35 -5.922 4.863 3.451 303 HE1 TYR 35 HE1 TYR 35 -2.225 2.189 5.423 304 HE2 TYR 35 HE2 TYR 35 -5.438 2.601 2.566 305 HH TYR 35 HH TYR 35 -3.793 0.270 4.055 306 H ASP 36 H ASP 36 -4.567 7.093 9.092 307 HA ASP 36 HA ASP 36 -5.955 9.683 8.749 308 HB2 ASP 36 HB2 ASP 36 -6.337 9.864 11.031 309 HB3 ASP 36 HB3 ASP 36 -6.954 8.242 10.524 310 H THR 37 H THR 37 -2.963 8.421 8.505 311 HA THR 37 HA THR 37 -1.626 10.975 8.638 312 HB THR 37 HB THR 37 0.262 9.361 9.891 313 HG1 THR 37 HG1 THR 37 -0.606 8.331 11.521 314 HG21 THR 37 HG21 THR 37 -0.172 10.855 11.839 315 HG22 THR 37 HG22 THR 37 -1.700 11.379 11.105 316 HG23 THR 37 HG23 THR 37 -0.143 11.728 10.313 317 H ASN 38 H ASN 38 0.620 10.619 7.630 318 HA ASN 38 HA ASN 38 0.050 9.500 4.996 319 HB2 ASN 38 HB2 ASN 38 2.745 10.388 5.985 320 HB3 ASN 38 HB3 ASN 38 2.113 10.358 4.332 321 HD21 ASN 38 HD21 ASN 38 2.429 12.118 7.272 322 HD22 ASN 38 HD22 ASN 38 1.739 13.646 6.678 323 H GLU 39 H GLU 39 0.481 7.508 4.363 324 HA GLU 39 HA GLU 39 2.492 5.939 5.864 325 HB2 GLU 39 HB2 GLU 39 0.198 5.446 6.715 326 HB3 GLU 39 HB3 GLU 39 -0.239 4.926 5.110 327 HG2 GLU 39 HG2 GLU 39 1.594 3.228 5.134 328 HG3 GLU 39 HG3 GLU 39 2.057 3.747 6.737 329 H THR 40 H THR 40 3.958 5.683 4.387 330 HA THR 40 HA THR 40 3.330 5.174 1.557 331 HB THR 40 HB THR 40 5.918 5.441 3.183 332 HG1 THR 40 HG1 THR 40 4.832 7.124 1.139 333 HG21 THR 40 HG21 THR 40 5.625 5.240 0.160 334 HG22 THR 40 HG22 THR 40 6.286 3.963 1.205 335 HG23 THR 40 HG23 THR 40 7.119 5.527 1.080 336 H CYS 41 H CYS 41 3.351 3.046 0.770 337 HA CYS 41 HA CYS 41 4.780 1.106 2.388 338 HB2 CYS 41 HB2 CYS 41 3.130 -0.639 2.135 339 HB3 CYS 41 HB3 CYS 41 2.478 0.657 3.126 340 HG CYS 41 HG CYS 41 1.210 1.853 1.169 341 H TYR 42 H TYR 42 5.416 -0.743 1.206 342 HA TYR 42 HA TYR 42 5.570 -0.319 -1.735 343 HB2 TYR 42 HB2 TYR 42 7.579 0.612 -0.632 344 HB3 TYR 42 HB3 TYR 42 7.847 -0.920 0.185 345 HD1 TYR 42 HD1 TYR 42 7.569 0.669 -3.216 346 HD2 TYR 42 HD2 TYR 42 8.700 -2.819 -1.001 347 HE1 TYR 42 HE1 TYR 42 8.635 -0.222 -5.216 348 HE2 TYR 42 HE2 TYR 42 9.762 -3.781 -3.045 349 HH TYR 42 HH TYR 42 9.973 -3.505 -5.469 350 H ILE 43 H ILE 43 4.942 -2.083 -2.725 351 HA ILE 43 HA ILE 43 4.283 -4.561 -1.350 352 HB ILE 43 HB ILE 43 4.115 -3.926 -4.305 353 HG12 ILE 43 HG12 ILE 43 2.876 -2.129 -3.332 354 HG13 ILE 43 HG13 ILE 43 1.746 -3.277 -3.969 355 HG21 ILE 43 HG21 ILE 43 3.871 -6.304 -3.644 356 HG22 ILE 43 HG22 ILE 43 2.624 -5.881 -2.454 357 HG23 ILE 43 HG23 ILE 43 2.371 -5.671 -4.211 358 HD11 ILE 43 HD11 ILE 43 2.413 -2.690 -1.063 359 HD12 ILE 43 HD12 ILE 43 0.877 -2.477 -1.907 360 HD13 ILE 43 HD13 ILE 43 1.465 -4.115 -1.554 361 H LEU 44 H LEU 44 5.301 -6.481 -1.615 362 HA LEU 44 HA LEU 44 7.621 -6.629 -3.509 363 HB2 LEU 44 HB2 LEU 44 7.351 -7.842 -0.725 364 HB3 LEU 44 HB3 LEU 44 8.696 -8.128 -1.846 365 HG LEU 44 HG LEU 44 8.232 -5.263 -1.076 366 HD11 LEU 44 HD11 LEU 44 9.047 -7.448 0.838 367 HD12 LEU 44 HD12 LEU 44 7.931 -6.106 1.098 368 HD13 LEU 44 HD13 LEU 44 9.704 -5.833 0.989 369 HD21 LEU 44 HD21 LEU 44 10.006 -6.093 -2.677 370 HD22 LEU 44 HD22 LEU 44 10.753 -6.930 -1.306 371 HD23 LEU 44 HD23 LEU 44 10.634 -5.165 -1.284 372 H GLU 45 H GLU 45 4.978 -8.410 -1.722 373 HA GLU 45 HA GLU 45 4.570 -9.905 -4.180 374 HB2 GLU 45 HB2 GLU 45 4.671 -12.078 -3.142 375 HB3 GLU 45 HB3 GLU 45 6.212 -11.243 -2.959 376 HG2 GLU 45 HG2 GLU 45 5.445 -10.583 -0.600 377 HG3 GLU 45 HG3 GLU 45 4.132 -11.734 -0.798 378 H GLY 46 H GLY 46 2.496 -11.125 -4.036 379 HA2 GLY 46 HA2 GLY 46 0.362 -11.497 -3.242 380 HA3 GLY 46 HA3 GLY 46 0.516 -10.199 -2.084 381 H LYS 47 H LYS 47 -1.804 -10.110 -3.046 382 HA LYS 47 HA LYS 47 -1.858 -8.111 -5.174 383 HB2 LYS 47 HB2 LYS 47 -2.623 -10.924 -5.613 384 HB3 LYS 47 HB3 LYS 47 -4.044 -9.843 -5.695 385 HG2 LYS 47 HG2 LYS 47 -1.641 -9.495 -7.334 386 HG3 LYS 47 HG3 LYS 47 -3.175 -10.282 -7.881 387 HD2 LYS 47 HD2 LYS 47 -2.714 -7.452 -7.015 388 HD3 LYS 47 HD3 LYS 47 -2.701 -7.899 -8.698 389 HE2 LYS 47 HE2 LYS 47 -5.166 -8.211 -6.867 390 HE3 LYS 47 HE3 LYS 47 -4.852 -6.847 -7.911 391 HZ1 LYS 47 HZ1 LYS 47 -5.349 -9.662 -8.756 392 HZ2 LYS 47 HZ2 LYS 47 -4.789 -8.519 -9.778 393 HZ3 LYS 47 HZ3 LYS 47 -6.262 -8.327 -9.054 394 H VAL 48 H VAL 48 -3.715 -6.892 -5.162 395 HA VAL 48 HA VAL 48 -5.665 -6.940 -3.188 396 HB VAL 48 HB VAL 48 -3.915 -5.711 -2.009 397 HG11 VAL 48 HG11 VAL 48 -2.255 -4.648 -2.759 398 HG12 VAL 48 HG12 VAL 48 -2.254 -6.161 -3.486 399 HG13 VAL 48 HG13 VAL 48 -2.901 -4.765 -4.453 400 HG21 VAL 48 HG21 VAL 48 -5.890 -4.398 -2.089 401 HG22 VAL 48 HG22 VAL 48 -4.405 -3.507 -1.875 402 HG23 VAL 48 HG23 VAL 48 -5.203 -3.525 -3.449 403 H GLU 49 H GLU 49 -7.301 -5.399 -3.613 404 HA GLU 49 HA GLU 49 -6.866 -3.690 -5.850 405 HB2 GLU 49 HB2 GLU 49 -9.076 -5.730 -5.592 406 HB3 GLU 49 HB3 GLU 49 -9.577 -4.117 -6.102 407 HG2 GLU 49 HG2 GLU 49 -8.085 -4.259 -8.029 408 HG3 GLU 49 HG3 GLU 49 -7.480 -5.847 -7.518 409 H VAL 50 H VAL 50 -6.975 -1.786 -4.629 410 HA VAL 50 HA VAL 50 -8.666 -1.616 -2.150 411 HB VAL 50 HB VAL 50 -6.363 0.074 -3.252 412 HG11 VAL 50 HG11 VAL 50 -7.852 1.812 -2.621 413 HG12 VAL 50 HG12 VAL 50 -8.402 0.928 -1.187 414 HG13 VAL 50 HG13 VAL 50 -6.755 1.590 -1.229 415 HG21 VAL 50 HG21 VAL 50 -5.405 -0.407 -1.118 416 HG22 VAL 50 HG22 VAL 50 -6.925 -1.113 -0.535 417 HG23 VAL 50 HG23 VAL 50 -6.015 -1.941 -1.753 418 H THR 51 H THR 51 -10.655 -0.889 -2.303 419 HA THR 51 HA THR 51 -11.296 0.689 -4.721 420 HB THR 51 HB THR 51 -13.184 -0.869 -2.971 421 HG1 THR 51 HG1 THR 51 -12.538 -2.589 -3.830 422 HG21 THR 51 HG21 THR 51 -14.626 -0.715 -5.049 423 HG22 THR 51 HG22 THR 51 -13.335 0.169 -5.876 424 HG23 THR 51 HG23 THR 51 -14.174 0.892 -4.493 425 H THR 52 H THR 52 -11.780 2.769 -4.395 426 HA THR 52 HA THR 52 -11.812 3.841 -1.692 427 HB THR 52 HB THR 52 -11.939 5.971 -2.872 428 HG1 THR 52 HG1 THR 52 -11.718 5.808 -5.214 429 HG21 THR 52 HG21 THR 52 -9.792 5.828 -4.077 430 HG22 THR 52 HG22 THR 52 -9.909 4.073 -4.170 431 HG23 THR 52 HG23 THR 52 -9.728 4.868 -2.589 432 H GLU 53 H GLU 53 -13.781 5.727 -1.436 433 HA GLU 53 HA GLU 53 -16.263 4.180 -1.613 434 HB2 GLU 53 HB2 GLU 53 -17.289 6.246 -0.863 435 HB3 GLU 53 HB3 GLU 53 -16.098 5.595 0.265 436 HG2 GLU 53 HG2 GLU 53 -14.548 7.305 -0.202 437 HG3 GLU 53 HG3 GLU 53 -15.462 7.863 -1.634 438 H ASP 54 H ASP 54 -14.473 6.479 -3.548 439 HA ASP 54 HA ASP 54 -16.549 7.419 -5.244 440 HB2 ASP 54 HB2 ASP 54 -13.521 7.215 -5.432 441 HB3 ASP 54 HB3 ASP 54 -14.458 7.780 -6.771 442 H GLY 55 H GLY 55 -15.363 4.280 -4.923 443 HA2 GLY 55 HA2 GLY 55 -16.099 2.377 -6.015 444 HA3 GLY 55 HA3 GLY 55 -16.672 3.359 -7.371 445 H LYS 56 H LYS 56 -13.776 4.602 -7.089 446 HA LYS 56 HA LYS 56 -12.576 3.304 -9.343 447 HB2 LYS 56 HB2 LYS 56 -11.331 5.072 -7.186 448 HB3 LYS 56 HB3 LYS 56 -10.583 4.688 -8.728 449 HG2 LYS 56 HG2 LYS 56 -13.308 6.033 -8.699 450 HG3 LYS 56 HG3 LYS 56 -11.850 6.964 -8.348 451 HD2 LYS 56 HD2 LYS 56 -10.875 6.409 -10.493 452 HD3 LYS 56 HD3 LYS 56 -12.179 5.274 -10.858 453 HE2 LYS 56 HE2 LYS 56 -12.431 7.443 -12.044 454 HE3 LYS 56 HE3 LYS 56 -13.816 7.041 -11.026 455 HZ1 LYS 56 HZ1 LYS 56 -13.156 9.354 -10.755 456 HZ2 LYS 56 HZ2 LYS 56 -11.644 8.931 -10.261 457 HZ3 LYS 56 HZ3 LYS 56 -12.970 8.572 -9.356 458 H LYS 57 H LYS 57 -11.061 1.634 -9.409 459 HA LYS 57 HA LYS 57 -10.531 0.274 -6.816 460 HB2 LYS 57 HB2 LYS 57 -12.158 -0.622 -8.752 461 HB3 LYS 57 HB3 LYS 57 -10.626 -1.139 -9.435 462 HG2 LYS 57 HG2 LYS 57 -10.489 -2.902 -8.098 463 HG3 LYS 57 HG3 LYS 57 -10.762 -1.948 -6.649 464 HD2 LYS 57 HD2 LYS 57 -13.206 -1.976 -7.052 465 HD3 LYS 57 HD3 LYS 57 -12.981 -2.945 -8.523 466 HE2 LYS 57 HE2 LYS 57 -11.873 -3.913 -5.876 467 HE3 LYS 57 HE3 LYS 57 -13.588 -4.048 -6.170 468 HZ1 LYS 57 HZ1 LYS 57 -11.626 -5.132 -8.073 469 HZ2 LYS 57 HZ2 LYS 57 -13.236 -5.455 -8.013 470 HZ3 LYS 57 HZ3 LYS 57 -12.257 -6.024 -6.837 471 H TYR 58 H TYR 58 -8.562 -0.048 -6.395 472 HA TYR 58 HA TYR 58 -6.347 0.344 -8.341 473 HB2 TYR 58 HB2 TYR 58 -6.452 1.081 -5.348 474 HB3 TYR 58 HB3 TYR 58 -5.171 1.432 -6.481 475 HD1 TYR 58 HD1 TYR 58 -7.333 2.460 -8.667 476 HD2 TYR 58 HD2 TYR 58 -6.499 3.326 -4.552 477 HE1 TYR 58 HE1 TYR 58 -8.205 4.757 -8.989 478 HE2 TYR 58 HE2 TYR 58 -7.367 5.635 -4.841 479 HH TYR 58 HH TYR 58 -7.834 7.291 -6.625 480 H VAL 59 H VAL 59 -6.016 -1.509 -8.638 481 HA VAL 59 HA VAL 59 -5.018 -3.720 -7.045 482 HB VAL 59 HB VAL 59 -6.119 -4.371 -8.830 483 HG11 VAL 59 HG11 VAL 59 -5.039 -3.417 -11.238 484 HG12 VAL 59 HG12 VAL 59 -6.625 -3.279 -10.388 485 HG13 VAL 59 HG13 VAL 59 -5.359 -2.055 -10.132 486 HG21 VAL 59 HG21 VAL 59 -4.508 -5.735 -10.057 487 HG22 VAL 59 HG22 VAL 59 -3.242 -4.507 -9.948 488 HG23 VAL 59 HG23 VAL 59 -3.713 -5.345 -8.488 489 H ILE 60 H ILE 60 -3.456 -3.170 -5.721 490 HA ILE 60 HA ILE 60 -1.077 -1.992 -6.878 491 HB ILE 60 HB ILE 60 -0.776 -2.954 -4.354 492 HG12 ILE 60 HG12 ILE 60 -3.463 -2.890 -4.256 493 HG13 ILE 60 HG13 ILE 60 -2.334 -2.758 -2.981 494 HG21 ILE 60 HG21 ILE 60 0.317 -1.053 -5.067 495 HG22 ILE 60 HG22 ILE 60 -1.306 -0.194 -5.051 496 HG23 ILE 60 HG23 ILE 60 -0.560 -0.978 -3.519 497 HD11 ILE 60 HD11 ILE 60 -2.860 -0.353 -2.933 498 HD12 ILE 60 HD12 ILE 60 -3.613 -0.409 -4.528 499 HD13 ILE 60 HD13 ILE 60 -4.358 -1.306 -3.280 500 H GLU 61 H GLU 61 0.800 -3.610 -7.170 501 HA GLU 61 HA GLU 61 0.439 -6.262 -6.183 502 HB2 GLU 61 HB2 GLU 61 1.015 -7.264 -8.292 503 HB3 GLU 61 HB3 GLU 61 -0.631 -6.660 -8.191 504 HG2 GLU 61 HG2 GLU 61 0.301 -4.553 -9.469 505 HG3 GLU 61 HG3 GLU 61 1.657 -5.614 -9.912 506 H LYS 62 H LYS 62 2.666 -7.326 -7.171 507 HA LYS 62 HA LYS 62 4.749 -6.021 -5.652 508 HB2 LYS 62 HB2 LYS 62 6.117 -7.894 -6.386 509 HB3 LYS 62 HB3 LYS 62 4.592 -8.391 -5.645 510 HG2 LYS 62 HG2 LYS 62 4.212 -8.169 -8.488 511 HG3 LYS 62 HG3 LYS 62 5.727 -9.033 -8.178 512 HD2 LYS 62 HD2 LYS 62 4.688 -10.904 -7.419 513 HD3 LYS 62 HD3 LYS 62 3.362 -10.026 -6.626 514 HE2 LYS 62 HE2 LYS 62 2.220 -9.670 -8.712 515 HE3 LYS 62 HE3 LYS 62 3.628 -10.173 -9.651 516 HZ1 LYS 62 HZ1 LYS 62 3.284 -12.385 -9.049 517 HZ2 LYS 62 HZ2 LYS 62 1.883 -11.826 -9.582 518 HZ3 LYS 62 HZ3 LYS 62 2.084 -12.066 -7.951 519 H GLY 63 H GLY 63 4.835 -4.043 -6.617 520 HA2 GLY 63 HA2 GLY 63 6.731 -3.419 -8.650 521 HA3 GLY 63 HA3 GLY 63 5.200 -3.764 -9.483 522 H ASP 64 H ASP 64 3.865 -2.441 -6.876 523 HA ASP 64 HA ASP 64 3.952 0.283 -8.078 524 HB2 ASP 64 HB2 ASP 64 1.757 -1.382 -6.839 525 HB3 ASP 64 HB3 ASP 64 1.534 0.243 -7.439 526 H LEU 65 H LEU 65 4.848 1.729 -6.584 527 HA LEU 65 HA LEU 65 4.876 1.205 -3.669 528 HB2 LEU 65 HB2 LEU 65 6.755 2.442 -4.768 529 HB3 LEU 65 HB3 LEU 65 5.585 3.574 -5.427 530 HG LEU 65 HG LEU 65 4.983 4.220 -3.012 531 HD11 LEU 65 HD11 LEU 65 6.513 3.689 -1.259 532 HD12 LEU 65 HD12 LEU 65 7.686 2.956 -2.387 533 HD13 LEU 65 HD13 LEU 65 6.147 2.160 -2.033 534 HD21 LEU 65 HD21 LEU 65 7.830 4.909 -3.655 535 HD22 LEU 65 HD22 LEU 65 6.508 5.911 -2.967 536 HD23 LEU 65 HD23 LEU 65 6.484 5.481 -4.653 537 H VAL 66 H VAL 66 3.500 2.436 -2.227 538 HA VAL 66 HA VAL 66 1.566 4.229 -3.550 539 HB VAL 66 HB VAL 66 0.819 2.209 -1.414 540 HG11 VAL 66 HG11 VAL 66 -0.590 4.195 -1.153 541 HG12 VAL 66 HG12 VAL 66 -0.897 4.226 -2.906 542 HG13 VAL 66 HG13 VAL 66 -1.530 2.917 -1.888 543 HG21 VAL 66 HG21 VAL 66 0.990 0.942 -3.437 544 HG22 VAL 66 HG22 VAL 66 -0.720 1.402 -3.365 545 HG23 VAL 66 HG23 VAL 66 0.387 2.283 -4.417 546 H THR 67 H THR 67 0.842 5.932 -2.223 547 HA THR 67 HA THR 67 1.755 6.101 0.533 548 HB THR 67 HB THR 67 2.426 8.303 -1.466 549 HG1 THR 67 HG1 THR 67 3.739 6.235 -0.901 550 HG21 THR 67 HG21 THR 67 2.477 8.180 1.628 551 HG22 THR 67 HG22 THR 67 1.684 9.387 0.608 552 HG23 THR 67 HG23 THR 67 3.454 9.333 0.707 553 H PHE 68 H PHE 68 -0.137 6.298 1.538 554 HA PHE 68 HA PHE 68 -2.469 7.627 0.286 555 HB2 PHE 68 HB2 PHE 68 -2.069 6.439 3.074 556 HB3 PHE 68 HB3 PHE 68 -3.593 6.984 2.389 557 HD1 PHE 68 HD1 PHE 68 -4.385 5.848 0.189 558 HD2 PHE 68 HD2 PHE 68 -1.322 4.222 2.714 559 HE1 PHE 68 HE1 PHE 68 -4.704 3.626 -0.863 560 HE2 PHE 68 HE2 PHE 68 -1.584 2.003 1.566 561 HZ PHE 68 HZ PHE 68 -3.283 1.726 -0.204 562 HA PRO 69 HA PRO 69 -1.369 11.345 2.616 563 HB2 PRO 69 HB2 PRO 69 -3.668 12.754 2.690 564 HB3 PRO 69 HB3 PRO 69 -2.924 12.379 1.107 565 HG2 PRO 69 HG2 PRO 69 -5.103 10.809 2.553 566 HG3 PRO 69 HG3 PRO 69 -5.114 11.514 0.922 567 HD2 PRO 69 HD2 PRO 69 -4.405 8.886 1.353 568 HD3 PRO 69 HD3 PRO 69 -3.609 9.866 0.093 569 H LYS 70 H LYS 70 -2.323 12.591 4.386 570 HA LYS 70 HA LYS 70 -3.115 11.001 6.745 571 HB2 LYS 70 HB2 LYS 70 -1.358 12.754 6.907 572 HB3 LYS 70 HB3 LYS 70 -2.498 13.961 6.292 573 HG2 LYS 70 HG2 LYS 70 -3.821 13.844 8.270 574 HG3 LYS 70 HG3 LYS 70 -3.011 12.405 8.801 575 HD2 LYS 70 HD2 LYS 70 -0.926 13.620 9.176 576 HD3 LYS 70 HD3 LYS 70 -1.658 15.076 8.490 577 HE2 LYS 70 HE2 LYS 70 -3.523 14.435 10.419 578 HE3 LYS 70 HE3 LYS 70 -2.070 13.766 11.172 579 HZ1 LYS 70 HZ1 LYS 70 -1.051 15.947 11.019 580 HZ2 LYS 70 HZ2 LYS 70 -2.464 16.045 11.805 581 HZ3 LYS 70 HZ3 LYS 70 -2.384 16.561 10.244 582 H GLY 71 H GLY 71 -5.176 10.253 6.050 583 HA2 GLY 71 HA2 GLY 71 -7.408 10.790 6.810 584 HA3 GLY 71 HA3 GLY 71 -7.286 12.350 6.004 585 H LEU 72 H LEU 72 -7.676 8.859 5.519 586 HA LEU 72 HA LEU 72 -9.276 9.354 3.107 587 HB2 LEU 72 HB2 LEU 72 -7.061 9.091 2.109 588 HB3 LEU 72 HB3 LEU 72 -6.734 7.689 3.139 589 HG LEU 72 HG LEU 72 -8.520 6.396 1.952 590 HD11 LEU 72 HD11 LEU 72 -9.906 8.362 1.139 591 HD12 LEU 72 HD12 LEU 72 -9.501 7.203 -0.116 592 HD13 LEU 72 HD13 LEU 72 -8.609 8.742 -0.006 593 HD21 LEU 72 HD21 LEU 72 -6.205 6.222 1.355 594 HD22 LEU 72 HD22 LEU 72 -6.359 7.569 0.184 595 HD23 LEU 72 HD23 LEU 72 -7.270 6.039 -0.045 596 H ARG 73 H ARG 73 -10.743 7.569 2.697 597 HA ARG 73 HA ARG 73 -10.736 5.302 4.612 598 HB2 ARG 73 HB2 ARG 73 -12.364 7.123 5.176 599 HB3 ARG 73 HB3 ARG 73 -13.152 6.905 3.611 600 HG2 ARG 73 HG2 ARG 73 -13.797 4.605 4.248 601 HG3 ARG 73 HG3 ARG 73 -12.843 4.735 5.728 602 HD2 ARG 73 HD2 ARG 73 -15.078 5.096 6.395 603 HD3 ARG 73 HD3 ARG 73 -14.264 6.644 6.484 604 HE ARG 73 HE ARG 73 -15.442 7.463 4.624 605 HH11 ARG 73 HH11 ARG 73 -16.486 4.131 5.437 606 HH12 ARG 73 HH12 ARG 73 -17.975 4.292 4.544 607 HH21 ARG 73 HH21 ARG 73 -17.324 7.500 3.291 608 HH22 ARG 73 HH22 ARG 73 -18.552 6.280 3.533 609 H CYS 74 H CYS 74 -10.670 3.347 3.424 610 HA CYS 74 HA CYS 74 -12.168 3.110 0.928 611 HB2 CYS 74 HB2 CYS 74 -10.166 2.295 -0.296 612 HB3 CYS 74 HB3 CYS 74 -10.197 4.049 -0.054 613 HG CYS 74 HG CYS 74 -8.858 2.360 2.361 614 H ARG 75 H ARG 75 -11.897 0.800 0.072 615 HA ARG 75 HA ARG 75 -11.620 -1.129 2.304 616 HB2 ARG 75 HB2 ARG 75 -12.783 -1.184 -0.457 617 HB3 ARG 75 HB3 ARG 75 -11.934 -2.641 -0.017 618 HG2 ARG 75 HG2 ARG 75 -13.779 -3.321 0.972 619 HG3 ARG 75 HG3 ARG 75 -13.368 -2.285 2.333 620 HD2 ARG 75 HD2 ARG 75 -14.892 -1.447 -0.118 621 HD3 ARG 75 HD3 ARG 75 -15.700 -2.057 1.334 622 HE ARG 75 HE ARG 75 -14.499 0.601 0.956 623 HH11 ARG 75 HH11 ARG 75 -15.770 -1.615 3.473 624 HH12 ARG 75 HH12 ARG 75 -16.570 -0.369 4.327 625 HH21 ARG 75 HH21 ARG 75 -15.859 2.184 1.934 626 HH22 ARG 75 HH22 ARG 75 -16.805 1.760 3.311 627 H TRP 76 H TRP 76 -10.584 -3.122 1.719 628 HA TRP 76 HA TRP 76 -8.209 -3.000 0.031 629 HB2 TRP 76 HB2 TRP 76 -7.947 -3.291 2.949 630 HB3 TRP 76 HB3 TRP 76 -7.000 -4.405 2.015 631 HD1 TRP 76 HD1 TRP 76 -7.531 -0.602 2.342 632 HE1 TRP 76 HE1 TRP 76 -5.407 0.610 1.543 633 HE3 TRP 76 HE3 TRP 76 -4.533 -4.656 0.891 634 HZ2 TRP 76 HZ2 TRP 76 -2.710 -0.039 0.840 635 HZ3 TRP 76 HZ3 TRP 76 -2.336 -4.260 0.168 636 HH2 TRP 76 HH2 TRP 76 -1.306 -1.968 0.137 637 H LYS 77 H LYS 77 -9.318 -4.614 -1.358 638 HA LYS 77 HA LYS 77 -10.255 -7.123 -0.079 639 HB2 LYS 77 HB2 LYS 77 -11.566 -6.246 -1.980 640 HB3 LYS 77 HB3 LYS 77 -10.093 -6.246 -3.015 641 HG2 LYS 77 HG2 LYS 77 -10.437 -8.409 -3.550 642 HG3 LYS 77 HG3 LYS 77 -10.289 -8.877 -1.890 643 HD2 LYS 77 HD2 LYS 77 -12.315 -9.764 -2.318 644 HD3 LYS 77 HD3 LYS 77 -12.808 -8.193 -1.747 645 HE2 LYS 77 HE2 LYS 77 -13.099 -7.382 -4.090 646 HE3 LYS 77 HE3 LYS 77 -12.465 -8.970 -4.659 647 HZ1 LYS 77 HZ1 LYS 77 -14.373 -9.989 -3.427 648 HZ2 LYS 77 HZ2 LYS 77 -14.800 -9.085 -4.771 649 HZ3 LYS 77 HZ3 LYS 77 -15.029 -8.514 -3.269 650 H VAL 78 H VAL 78 -8.573 -8.538 0.630 651 HA VAL 78 HA VAL 78 -5.927 -8.203 -0.707 652 HB VAL 78 HB VAL 78 -6.571 -10.049 1.638 653 HG11 VAL 78 HG11 VAL 78 -4.458 -10.390 0.767 654 HG12 VAL 78 HG12 VAL 78 -4.079 -8.653 0.597 655 HG13 VAL 78 HG13 VAL 78 -4.156 -9.443 2.203 656 HG21 VAL 78 HG21 VAL 78 -5.871 -7.076 1.914 657 HG22 VAL 78 HG22 VAL 78 -7.387 -7.836 2.418 658 HG23 VAL 78 HG23 VAL 78 -5.886 -8.265 3.214 659 H LEU 79 H LEU 79 -6.403 -9.031 -2.653 660 HA LEU 79 HA LEU 79 -7.774 -11.501 -3.044 661 HB2 LEU 79 HB2 LEU 79 -5.917 -9.875 -4.802 662 HB3 LEU 79 HB3 LEU 79 -6.744 -11.298 -5.360 663 HG LEU 79 HG LEU 79 -8.125 -8.745 -4.399 664 HD11 LEU 79 HD11 LEU 79 -8.666 -9.149 -7.089 665 HD12 LEU 79 HD12 LEU 79 -6.955 -9.433 -6.901 666 HD13 LEU 79 HD13 LEU 79 -7.643 -7.899 -6.329 667 HD21 LEU 79 HD21 LEU 79 -9.241 -11.295 -5.688 668 HD22 LEU 79 HD22 LEU 79 -10.145 -9.784 -5.408 669 HD23 LEU 79 HD23 LEU 79 -9.578 -10.743 -4.023 670 H GLU 80 H GLU 80 -4.362 -10.711 -2.323 671 HA GLU 80 HA GLU 80 -4.012 -13.538 -1.753 672 HB2 GLU 80 HB2 GLU 80 -2.357 -12.051 -3.808 673 HB3 GLU 80 HB3 GLU 80 -1.480 -13.076 -2.704 674 HG2 GLU 80 HG2 GLU 80 -3.373 -14.825 -3.490 675 HG3 GLU 80 HG3 GLU 80 -3.375 -13.800 -4.907 676 HA PRO 81 HA PRO 81 -2.430 -11.966 1.866 677 HB2 PRO 81 HB2 PRO 81 -0.544 -13.790 2.702 678 HB3 PRO 81 HB3 PRO 81 -2.304 -14.115 2.630 679 HG2 PRO 81 HG2 PRO 81 -0.157 -14.829 0.636 680 HG3 PRO 81 HG3 PRO 81 -1.504 -15.853 1.232 681 HD2 PRO 81 HD2 PRO 81 -1.517 -14.541 -1.149 682 HD3 PRO 81 HD3 PRO 81 -3.007 -14.829 -0.230 683 H VAL 82 H VAL 82 -1.625 -10.065 1.073 684 HA VAL 82 HA VAL 82 0.872 -9.831 -0.227 685 HB VAL 82 HB VAL 82 -1.226 -8.511 -0.623 686 HG11 VAL 82 HG11 VAL 82 -0.438 -6.844 1.805 687 HG12 VAL 82 HG12 VAL 82 -1.829 -6.613 0.717 688 HG13 VAL 82 HG13 VAL 82 -1.747 -8.031 1.784 689 HG21 VAL 82 HG21 VAL 82 1.275 -6.841 -0.168 690 HG22 VAL 82 HG22 VAL 82 0.749 -7.674 -1.655 691 HG23 VAL 82 HG23 VAL 82 -0.192 -6.324 -1.049 692 H ARG 83 H ARG 83 2.837 -9.119 0.354 693 HA ARG 83 HA ARG 83 3.255 -8.533 3.243 694 HB2 ARG 83 HB2 ARG 83 4.130 -10.773 2.095 695 HB3 ARG 83 HB3 ARG 83 5.452 -9.734 1.557 696 HG2 ARG 83 HG2 ARG 83 6.209 -9.357 3.762 697 HG3 ARG 83 HG3 ARG 83 4.652 -9.717 4.482 698 HD2 ARG 83 HD2 ARG 83 4.842 -12.067 3.951 699 HD3 ARG 83 HD3 ARG 83 6.333 -11.809 3.062 700 HE ARG 83 HE ARG 83 7.107 -10.866 5.427 701 HH11 ARG 83 HH11 ARG 83 5.328 -13.834 4.623 702 HH12 ARG 83 HH12 ARG 83 5.641 -14.575 6.183 703 HH21 ARG 83 HH21 ARG 83 7.846 -12.080 7.326 704 HH22 ARG 83 HH22 ARG 83 7.452 -13.735 7.476 705 H LYS 84 H LYS 84 3.544 -6.399 3.346 706 HA LYS 84 HA LYS 84 5.142 -5.031 1.249 707 HB2 LYS 84 HB2 LYS 84 3.670 -3.369 0.850 708 HB3 LYS 84 HB3 LYS 84 2.568 -4.709 1.008 709 HG2 LYS 84 HG2 LYS 84 3.136 -2.490 3.029 710 HG3 LYS 84 HG3 LYS 84 1.748 -2.572 1.962 711 HD2 LYS 84 HD2 LYS 84 1.411 -4.914 3.353 712 HD3 LYS 84 HD3 LYS 84 2.328 -3.914 4.520 713 HE2 LYS 84 HE2 LYS 84 0.140 -3.422 5.098 714 HE3 LYS 84 HE3 LYS 84 0.654 -2.062 4.105 715 HZ1 LYS 84 HZ1 LYS 84 -0.475 -3.578 2.260 716 HZ2 LYS 84 HZ2 LYS 84 -1.283 -2.465 3.159 717 HZ3 LYS 84 HZ3 LYS 84 -1.353 -4.061 3.577 718 H HIS 85 H HIS 85 6.444 -3.443 2.073 719 HA HIS 85 HA HIS 85 6.853 -3.334 5.017 720 HB2 HIS 85 HB2 HIS 85 8.320 -2.356 2.550 721 HB3 HIS 85 HB3 HIS 85 8.595 -1.508 4.057 722 HD1 HIS 85 HD1 HIS 85 9.830 -4.528 2.301 723 HD2 HIS 85 HD2 HIS 85 9.230 -3.223 6.266 724 HE1 HIS 85 HE1 HIS 85 11.170 -6.084 3.819 725 H TYR 86 H TYR 86 6.005 -1.496 6.169 726 HA TYR 86 HA TYR 86 4.767 0.701 4.528 727 HB2 TYR 86 HB2 TYR 86 2.908 0.869 6.006 728 HB3 TYR 86 HB3 TYR 86 2.999 -0.830 5.554 729 HD1 TYR 86 HD1 TYR 86 3.996 -2.487 7.279 730 HD2 TYR 86 HD2 TYR 86 3.105 1.629 8.234 731 HE1 TYR 86 HE1 TYR 86 4.207 -3.012 9.681 732 HE2 TYR 86 HE2 TYR 86 3.366 1.131 10.624 733 HH TYR 86 HH TYR 86 3.731 -2.119 11.907 734 H ASN 87 H ASN 87 4.797 2.827 5.789 735 HA ASN 87 HA ASN 87 6.092 2.773 8.387 736 HB2 ASN 87 HB2 ASN 87 7.908 2.914 6.421 737 HB3 ASN 87 HB3 ASN 87 7.437 4.600 6.386 738 HD21 ASN 87 HD21 ASN 87 9.366 5.470 7.274 739 HD22 ASN 87 HD22 ASN 87 10.052 4.940 8.816 740 H LEU 88 H LEU 88 5.416 4.546 9.608 741 HA LEU 88 HA LEU 88 3.392 6.334 8.359 742 HB2 LEU 88 HB2 LEU 88 4.084 5.827 11.282 743 HB3 LEU 88 HB3 LEU 88 2.718 6.772 10.685 744 HG LEU 88 HG LEU 88 3.058 3.758 10.206 745 HD11 LEU 88 HD11 LEU 88 1.474 3.387 11.968 746 HD12 LEU 88 HD12 LEU 88 1.087 5.093 12.114 747 HD13 LEU 88 HD13 LEU 88 2.666 4.532 12.665 748 HD21 LEU 88 HD21 LEU 88 0.607 5.528 9.824 749 HD22 LEU 88 HD22 LEU 88 0.742 3.777 9.510 750 HD23 LEU 88 HD23 LEU 88 1.658 4.936 8.532 751 H PHE 89 H PHE 89 3.581 8.689 8.565 752 HA PHE 89 HA PHE 89 5.671 9.997 9.932 753 HB2 PHE 89 HB2 PHE 89 7.122 10.627 8.123 754 HB3 PHE 89 HB3 PHE 89 7.082 8.883 8.136 755 HD1 PHE 89 HD1 PHE 89 5.134 7.802 6.517 756 HD2 PHE 89 HD2 PHE 89 6.838 11.756 6.105 757 HE1 PHE 89 HE1 PHE 89 4.318 7.929 4.211 758 HE2 PHE 89 HE2 PHE 89 6.088 11.814 3.738 759 HZ PHE 89 HZ PHE 89 4.808 9.900 2.794 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -3.921 13.139 -7.933 2 HA MET 1 HA MET 1 -3.351 14.450 -6.222 3 HB2 MET 1 HB2 MET 1 -6.041 15.048 -6.685 4 HB3 MET 1 HB3 MET 1 -5.913 14.849 -4.939 5 HG2 MET 1 HG2 MET 1 -4.984 16.849 -4.746 6 HG3 MET 1 HG3 MET 1 -3.692 16.400 -5.857 7 HE1 MET 1 HE1 MET 1 -7.735 18.122 -7.199 8 HE2 MET 1 HE2 MET 1 -7.485 16.792 -6.063 9 HE3 MET 1 HE3 MET 1 -7.162 18.455 -5.564 10 H GLU 2 H GLU 2 -5.624 11.865 -5.491 11 HA GLU 2 HA GLU 2 -4.394 11.576 -2.846 12 HB2 GLU 2 HB2 GLU 2 -7.014 10.422 -3.784 13 HB3 GLU 2 HB3 GLU 2 -6.315 10.390 -2.134 14 HG2 GLU 2 HG2 GLU 2 -6.484 13.115 -3.080 15 HG3 GLU 2 HG3 GLU 2 -8.039 12.338 -3.372 16 H VAL 3 H VAL 3 -4.002 9.426 -2.132 17 HA VAL 3 HA VAL 3 -2.802 7.471 -2.346 18 HB VAL 3 HB VAL 3 -5.044 7.006 -4.368 19 HG11 VAL 3 HG11 VAL 3 -3.784 5.285 -4.985 20 HG12 VAL 3 HG12 VAL 3 -2.772 5.326 -3.535 21 HG13 VAL 3 HG13 VAL 3 -4.351 4.549 -3.487 22 HG21 VAL 3 HG21 VAL 3 -4.945 7.138 -1.488 23 HG22 VAL 3 HG22 VAL 3 -6.323 6.872 -2.576 24 HG23 VAL 3 HG23 VAL 3 -5.359 5.503 -2.009 25 H LYS 4 H LYS 4 -0.842 8.264 -3.168 26 HA LYS 4 HA LYS 4 -0.487 8.572 -6.026 27 HB2 LYS 4 HB2 LYS 4 0.671 9.540 -3.810 28 HB3 LYS 4 HB3 LYS 4 1.935 8.398 -4.353 29 HG2 LYS 4 HG2 LYS 4 1.348 9.588 -6.701 30 HG3 LYS 4 HG3 LYS 4 1.147 10.951 -5.587 31 HD2 LYS 4 HD2 LYS 4 3.585 9.163 -5.662 32 HD3 LYS 4 HD3 LYS 4 3.463 10.687 -6.548 33 HE2 LYS 4 HE2 LYS 4 3.090 11.888 -4.451 34 HE3 LYS 4 HE3 LYS 4 3.218 10.365 -3.557 35 HZ1 LYS 4 HZ1 LYS 4 5.339 11.759 -5.081 36 HZ2 LYS 4 HZ2 LYS 4 5.491 10.168 -4.547 37 HZ3 LYS 4 HZ3 LYS 4 5.306 11.418 -3.430 38 H ILE 5 H ILE 5 -0.624 6.684 -7.163 39 HA ILE 5 HA ILE 5 1.010 4.427 -6.217 40 HB ILE 5 HB ILE 5 -1.365 4.430 -8.088 41 HG12 ILE 5 HG12 ILE 5 -1.043 3.389 -5.263 42 HG13 ILE 5 HG13 ILE 5 -1.971 4.802 -5.742 43 HG21 ILE 5 HG21 ILE 5 0.774 2.559 -7.794 44 HG22 ILE 5 HG22 ILE 5 -0.683 1.826 -7.151 45 HG23 ILE 5 HG23 ILE 5 -0.671 2.449 -8.803 46 HD11 ILE 5 HD11 ILE 5 -3.400 3.287 -7.135 47 HD12 ILE 5 HD12 ILE 5 -2.559 1.918 -6.399 48 HD13 ILE 5 HD13 ILE 5 -3.502 3.012 -5.391 49 H GLU 6 H GLU 6 2.780 3.943 -7.343 50 HA GLU 6 HA GLU 6 2.881 4.131 -10.195 51 HB2 GLU 6 HB2 GLU 6 4.866 5.716 -10.188 52 HB3 GLU 6 HB3 GLU 6 3.296 6.445 -9.904 53 HG2 GLU 6 HG2 GLU 6 3.816 7.098 -7.823 54 HG3 GLU 6 HG3 GLU 6 4.692 5.613 -7.456 55 H LYS 7 H LYS 7 5.379 3.868 -10.843 56 HA LYS 7 HA LYS 7 6.401 1.680 -9.142 57 HB2 LYS 7 HB2 LYS 7 6.900 2.040 -12.098 58 HB3 LYS 7 HB3 LYS 7 7.316 0.653 -11.099 59 HG2 LYS 7 HG2 LYS 7 5.424 -0.133 -12.092 60 HG3 LYS 7 HG3 LYS 7 4.715 0.605 -10.650 61 HD2 LYS 7 HD2 LYS 7 3.703 2.260 -11.816 62 HD3 LYS 7 HD3 LYS 7 5.040 2.411 -12.969 63 HE2 LYS 7 HE2 LYS 7 3.944 -0.111 -13.431 64 HE3 LYS 7 HE3 LYS 7 2.557 0.944 -13.189 65 HZ1 LYS 7 HZ1 LYS 7 4.518 2.166 -14.843 66 HZ2 LYS 7 HZ2 LYS 7 2.889 1.838 -15.174 67 HZ3 LYS 7 HZ3 LYS 7 4.106 0.685 -15.426 68 HA PRO 8 HA PRO 8 9.567 5.010 -8.886 69 HB2 PRO 8 HB2 PRO 8 10.291 4.421 -6.322 70 HB3 PRO 8 HB3 PRO 8 8.921 5.478 -6.735 71 HG2 PRO 8 HG2 PRO 8 8.922 2.581 -5.958 72 HG3 PRO 8 HG3 PRO 8 7.832 3.895 -5.436 73 HD2 PRO 8 HD2 PRO 8 7.146 2.092 -7.338 74 HD3 PRO 8 HD3 PRO 8 6.569 3.771 -7.344 75 H THR 9 H THR 9 11.695 4.756 -9.338 76 HA THR 9 HA THR 9 12.809 2.365 -10.107 77 HB THR 9 HB THR 9 13.945 4.250 -10.854 78 HG1 THR 9 HG1 THR 9 15.917 3.559 -10.446 79 HG21 THR 9 HG21 THR 9 15.121 5.616 -8.780 80 HG22 THR 9 HG22 THR 9 13.545 5.205 -8.102 81 HG23 THR 9 HG23 THR 9 13.647 6.108 -9.619 82 HA PRO 10 HA PRO 10 13.850 0.160 -6.443 83 HB2 PRO 10 HB2 PRO 10 15.969 -1.312 -7.308 84 HB3 PRO 10 HB3 PRO 10 14.261 -1.636 -7.811 85 HG2 PRO 10 HG2 PRO 10 16.374 -0.170 -9.343 86 HG3 PRO 10 HG3 PRO 10 15.192 -1.368 -9.927 87 HD2 PRO 10 HD2 PRO 10 14.847 1.296 -10.249 88 HD3 PRO 10 HD3 PRO 10 13.473 0.187 -10.007 89 H GLU 11 H GLU 11 15.909 2.454 -7.881 90 HA GLU 11 HA GLU 11 18.152 2.109 -6.120 91 HB2 GLU 11 HB2 GLU 11 17.330 4.053 -8.232 92 HB3 GLU 11 HB3 GLU 11 18.512 4.594 -7.061 93 HG2 GLU 11 HG2 GLU 11 20.138 3.388 -8.113 94 HG3 GLU 11 HG3 GLU 11 19.308 1.929 -8.015 95 H LYS 12 H LYS 12 15.523 4.495 -6.368 96 HA LYS 12 HA LYS 12 16.238 6.002 -4.099 97 HB2 LYS 12 HB2 LYS 12 14.630 6.791 -5.785 98 HB3 LYS 12 HB3 LYS 12 13.497 5.530 -5.313 99 HG2 LYS 12 HG2 LYS 12 12.593 7.122 -4.011 100 HG3 LYS 12 HG3 LYS 12 13.926 6.764 -2.918 101 HD2 LYS 12 HD2 LYS 12 15.155 8.507 -4.534 102 HD3 LYS 12 HD3 LYS 12 13.491 9.105 -4.676 103 HE2 LYS 12 HE2 LYS 12 13.440 9.786 -2.504 104 HE3 LYS 12 HE3 LYS 12 14.463 8.470 -1.946 105 HZ1 LYS 12 HZ1 LYS 12 16.395 9.602 -2.652 106 HZ2 LYS 12 HZ2 LYS 12 15.479 10.743 -1.843 107 HZ3 LYS 12 HZ3 LYS 12 15.535 10.748 -3.526 108 H LEU 13 H LEU 13 14.385 3.042 -4.440 109 HA LEU 13 HA LEU 13 13.228 2.982 -1.862 110 HB2 LEU 13 HB2 LEU 13 13.938 0.871 -3.878 111 HB3 LEU 13 HB3 LEU 13 13.284 0.432 -2.305 112 HG LEU 13 HG LEU 13 11.734 2.451 -3.830 113 HD11 LEU 13 HD11 LEU 13 12.486 -0.110 -4.996 114 HD12 LEU 13 HD12 LEU 13 11.660 1.275 -5.721 115 HD13 LEU 13 HD13 LEU 13 10.745 0.064 -4.828 116 HD21 LEU 13 HD21 LEU 13 9.940 0.728 -3.022 117 HD22 LEU 13 HD22 LEU 13 10.690 1.832 -1.872 118 HD23 LEU 13 HD23 LEU 13 11.231 0.149 -1.976 119 H LYS 14 H LYS 14 16.320 1.751 -3.109 120 HA LYS 14 HA LYS 14 17.158 0.396 -0.796 121 HB2 LYS 14 HB2 LYS 14 18.366 1.353 -3.292 122 HB3 LYS 14 HB3 LYS 14 19.480 1.429 -1.938 123 HG2 LYS 14 HG2 LYS 14 19.866 -0.678 -2.794 124 HG3 LYS 14 HG3 LYS 14 18.743 -0.999 -1.465 125 HD2 LYS 14 HD2 LYS 14 16.891 -1.173 -3.000 126 HD3 LYS 14 HD3 LYS 14 17.909 -0.639 -4.345 127 HE2 LYS 14 HE2 LYS 14 17.836 -2.936 -4.642 128 HE3 LYS 14 HE3 LYS 14 19.368 -2.690 -3.790 129 HZ1 LYS 14 HZ1 LYS 14 18.399 -3.391 -1.772 130 HZ2 LYS 14 HZ2 LYS 14 17.983 -4.525 -2.918 131 HZ3 LYS 14 HZ3 LYS 14 16.845 -3.385 -2.400 132 H GLU 15 H GLU 15 17.264 3.802 -1.658 133 HA GLU 15 HA GLU 15 18.968 4.537 0.537 134 HB2 GLU 15 HB2 GLU 15 17.148 6.385 -1.008 135 HB3 GLU 15 HB3 GLU 15 18.650 6.764 -0.159 136 HG2 GLU 15 HG2 GLU 15 19.521 4.939 -1.963 137 HG3 GLU 15 HG3 GLU 15 18.220 5.719 -2.868 138 H LEU 16 H LEU 16 15.498 4.524 -0.103 139 HA LEU 16 HA LEU 16 14.463 5.901 2.133 140 HB2 LEU 16 HB2 LEU 16 13.431 4.379 0.079 141 HB3 LEU 16 HB3 LEU 16 12.671 4.026 1.645 142 HG LEU 16 HG LEU 16 12.054 6.312 1.968 143 HD11 LEU 16 HD11 LEU 16 12.683 7.729 -0.328 144 HD12 LEU 16 HD12 LEU 16 14.145 6.829 -0.020 145 HD13 LEU 16 HD13 LEU 16 13.467 7.874 1.249 146 HD21 LEU 16 HD21 LEU 16 11.572 5.548 -0.921 147 HD22 LEU 16 HD22 LEU 16 10.622 6.685 0.052 148 HD23 LEU 16 HD23 LEU 16 10.639 4.976 0.469 149 H SER 17 H SER 17 15.990 2.804 1.845 150 HA SER 17 HA SER 17 16.452 1.140 3.326 151 HB2 SER 17 HB2 SER 17 15.502 2.585 5.719 152 HB3 SER 17 HB3 SER 17 17.045 1.796 5.406 153 HG SER 17 HG SER 17 17.187 3.784 3.857 154 H VAL 18 H VAL 18 14.001 1.042 2.048 155 HA VAL 18 HA VAL 18 11.745 0.721 3.657 156 HB VAL 18 HB VAL 18 12.365 -0.937 1.207 157 HG11 VAL 18 HG11 VAL 18 10.342 -1.756 1.477 158 HG12 VAL 18 HG12 VAL 18 10.122 -0.787 2.933 159 HG13 VAL 18 HG13 VAL 18 9.655 -0.132 1.367 160 HG21 VAL 18 HG21 VAL 18 10.825 1.126 0.316 161 HG22 VAL 18 HG22 VAL 18 11.832 1.940 1.510 162 HG23 VAL 18 HG23 VAL 18 12.581 1.061 0.174 163 H GLU 19 H GLU 19 14.539 -1.294 3.311 164 HA GLU 19 HA GLU 19 13.341 -3.712 4.239 165 HB2 GLU 19 HB2 GLU 19 15.732 -4.433 4.589 166 HB3 GLU 19 HB3 GLU 19 15.367 -3.882 2.956 167 HG2 GLU 19 HG2 GLU 19 16.619 -1.970 3.161 168 HG3 GLU 19 HG3 GLU 19 16.431 -1.897 4.910 169 H LYS 20 H LYS 20 14.415 -0.858 5.777 170 HA LYS 20 HA LYS 20 14.763 -2.148 8.366 171 HB2 LYS 20 HB2 LYS 20 14.745 0.816 7.840 172 HB3 LYS 20 HB3 LYS 20 15.541 -0.059 9.143 173 HG2 LYS 20 HG2 LYS 20 17.000 -1.110 7.323 174 HG3 LYS 20 HG3 LYS 20 16.329 0.119 6.248 175 HD2 LYS 20 HD2 LYS 20 18.199 1.223 6.976 176 HD3 LYS 20 HD3 LYS 20 17.042 1.738 8.211 177 HE2 LYS 20 HE2 LYS 20 18.625 -0.759 8.638 178 HE3 LYS 20 HE3 LYS 20 19.426 0.798 8.843 179 HZ1 LYS 20 HZ1 LYS 20 17.444 -0.478 10.509 180 HZ2 LYS 20 HZ2 LYS 20 17.150 1.152 10.221 181 HZ3 LYS 20 HZ3 LYS 20 18.612 0.664 10.905 182 H TRP 21 H TRP 21 12.205 -1.026 6.522 183 HA TRP 21 HA TRP 21 10.636 0.116 8.648 184 HB2 TRP 21 HB2 TRP 21 9.841 -0.801 5.868 185 HB3 TRP 21 HB3 TRP 21 8.824 0.121 6.961 186 HD1 TRP 21 HD1 TRP 21 12.074 1.614 7.495 187 HE1 TRP 21 HE1 TRP 21 12.417 3.652 6.021 188 HE3 TRP 21 HE3 TRP 21 8.248 0.917 4.150 189 HZ2 TRP 21 HZ2 TRP 21 11.249 4.878 3.757 190 HZ3 TRP 21 HZ3 TRP 21 7.926 2.572 2.351 191 HH2 TRP 21 HH2 TRP 21 9.388 4.516 2.149 192 HA PRO 22 HA PRO 22 8.815 -3.525 10.287 193 HB2 PRO 22 HB2 PRO 22 6.313 -2.645 10.894 194 HB3 PRO 22 HB3 PRO 22 7.758 -2.173 11.808 195 HG2 PRO 22 HG2 PRO 22 6.292 -0.677 9.660 196 HG3 PRO 22 HG3 PRO 22 6.944 -0.068 11.203 197 HD2 PRO 22 HD2 PRO 22 8.222 0.259 8.838 198 HD3 PRO 22 HD3 PRO 22 9.089 0.055 10.365 199 H ILE 23 H ILE 23 8.014 -5.321 9.375 200 HA ILE 23 HA ILE 23 6.601 -5.153 6.854 201 HB ILE 23 HB ILE 23 7.542 -7.493 8.521 202 HG12 ILE 23 HG12 ILE 23 8.390 -6.442 5.813 203 HG13 ILE 23 HG13 ILE 23 9.273 -6.187 7.317 204 HG21 ILE 23 HG21 ILE 23 5.538 -8.245 7.453 205 HG22 ILE 23 HG22 ILE 23 5.995 -7.482 5.923 206 HG23 ILE 23 HG23 ILE 23 6.881 -8.887 6.523 207 HD11 ILE 23 HD11 ILE 23 9.416 -8.348 5.502 208 HD12 ILE 23 HD12 ILE 23 10.371 -8.235 7.028 209 HD13 ILE 23 HD13 ILE 23 8.833 -8.989 7.039 210 H TRP 24 H TRP 24 4.497 -5.702 6.445 211 HA TRP 24 HA TRP 24 2.827 -6.598 8.682 212 HB2 TRP 24 HB2 TRP 24 2.609 -4.177 8.681 213 HB3 TRP 24 HB3 TRP 24 2.243 -4.182 6.956 214 HD1 TRP 24 HD1 TRP 24 0.684 -4.875 10.357 215 HE1 TRP 24 HE1 TRP 24 -1.867 -5.128 10.079 216 HE3 TRP 24 HE3 TRP 24 0.435 -4.875 5.269 217 HZ2 TRP 24 HZ2 TRP 24 -3.741 -5.264 7.955 218 HZ3 TRP 24 HZ3 TRP 24 -1.776 -5.074 4.163 219 HH2 TRP 24 HH2 TRP 24 -3.817 -5.249 5.491 220 H GLU 25 H GLU 25 1.804 -8.367 8.033 221 HA GLU 25 HA GLU 25 1.001 -8.577 5.200 222 HB2 GLU 25 HB2 GLU 25 1.035 -11.106 5.799 223 HB3 GLU 25 HB3 GLU 25 2.533 -10.286 5.392 224 HG2 GLU 25 HG2 GLU 25 3.392 -10.490 7.471 225 HG3 GLU 25 HG3 GLU 25 1.822 -10.295 8.261 226 H LYS 26 H LYS 26 -0.988 -9.645 4.754 227 HA LYS 26 HA LYS 26 -2.806 -9.942 7.038 228 HB2 LYS 26 HB2 LYS 26 -2.897 -7.831 5.116 229 HB3 LYS 26 HB3 LYS 26 -4.269 -8.891 4.806 230 HG2 LYS 26 HG2 LYS 26 -3.620 -7.795 7.542 231 HG3 LYS 26 HG3 LYS 26 -4.689 -6.983 6.390 232 HD2 LYS 26 HD2 LYS 26 -6.002 -9.145 6.295 233 HD3 LYS 26 HD3 LYS 26 -5.062 -9.666 7.691 234 HE2 LYS 26 HE2 LYS 26 -5.966 -7.066 8.296 235 HE3 LYS 26 HE3 LYS 26 -7.349 -7.899 7.588 236 HZ1 LYS 26 HZ1 LYS 26 -6.615 -8.094 10.142 237 HZ2 LYS 26 HZ2 LYS 26 -5.880 -9.475 9.500 238 HZ3 LYS 26 HZ3 LYS 26 -7.540 -9.241 9.338 239 H GLU 27 H GLU 27 -4.807 -11.136 6.458 240 HA GLU 27 HA GLU 27 -4.159 -13.485 5.003 241 HB2 GLU 27 HB2 GLU 27 -6.446 -14.204 5.533 242 HB3 GLU 27 HB3 GLU 27 -5.612 -13.574 6.948 243 HG2 GLU 27 HG2 GLU 27 -7.067 -11.490 5.556 244 HG3 GLU 27 HG3 GLU 27 -8.119 -12.829 6.004 245 H VAL 28 H VAL 28 -5.979 -14.369 3.445 246 HA VAL 28 HA VAL 28 -5.897 -12.651 1.142 247 HB VAL 28 HB VAL 28 -7.348 -15.285 1.464 248 HG11 VAL 28 HG11 VAL 28 -7.048 -13.419 -0.727 249 HG12 VAL 28 HG12 VAL 28 -6.402 -15.002 -1.150 250 HG13 VAL 28 HG13 VAL 28 -8.078 -14.833 -0.601 251 HG21 VAL 28 HG21 VAL 28 -5.385 -16.361 0.610 252 HG22 VAL 28 HG22 VAL 28 -4.554 -14.813 0.434 253 HG23 VAL 28 HG23 VAL 28 -4.931 -15.446 2.040 254 H SER 29 H SER 29 -7.909 -12.732 3.756 255 HA SER 29 HA SER 29 -10.448 -12.383 2.432 256 HB2 SER 29 HB2 SER 29 -9.973 -13.099 4.715 257 HB3 SER 29 HB3 SER 29 -9.815 -11.487 5.216 258 HG SER 29 HG SER 29 -12.083 -12.684 3.989 259 H GLU 30 H GLU 30 -11.740 -10.337 3.077 260 HA GLU 30 HA GLU 30 -10.102 -8.017 2.290 261 HB2 GLU 30 HB2 GLU 30 -12.302 -7.048 1.535 262 HB3 GLU 30 HB3 GLU 30 -11.746 -8.438 0.624 263 HG2 GLU 30 HG2 GLU 30 -13.475 -9.120 2.898 264 HG3 GLU 30 HG3 GLU 30 -14.248 -8.122 1.665 265 H PHE 31 H PHE 31 -11.198 -5.866 3.019 266 HA PHE 31 HA PHE 31 -12.725 -5.710 5.363 267 HB2 PHE 31 HB2 PHE 31 -10.898 -5.037 6.961 268 HB3 PHE 31 HB3 PHE 31 -10.957 -6.747 6.579 269 HD1 PHE 31 HD1 PHE 31 -9.195 -3.579 5.745 270 HD2 PHE 31 HD2 PHE 31 -9.121 -7.828 5.661 271 HE1 PHE 31 HE1 PHE 31 -6.833 -3.518 5.050 272 HE2 PHE 31 HE2 PHE 31 -6.738 -7.785 4.992 273 HZ PHE 31 HZ PHE 31 -5.597 -5.619 4.670 274 H ASP 32 H ASP 32 -12.137 -3.472 6.527 275 HA ASP 32 HA ASP 32 -11.644 -1.504 4.388 276 HB2 ASP 32 HB2 ASP 32 -13.204 -0.042 5.822 277 HB3 ASP 32 HB3 ASP 32 -13.916 -1.297 4.840 278 H TRP 33 H TRP 33 -9.748 -0.529 4.715 279 HA TRP 33 HA TRP 33 -8.772 -0.169 7.470 280 HB2 TRP 33 HB2 TRP 33 -7.436 -0.940 5.525 281 HB3 TRP 33 HB3 TRP 33 -7.151 0.572 4.995 282 HD1 TRP 33 HD1 TRP 33 -5.462 1.934 6.424 283 HE1 TRP 33 HE1 TRP 33 -3.811 1.364 8.311 284 HE3 TRP 33 HE3 TRP 33 -7.161 -2.759 7.599 285 HZ2 TRP 33 HZ2 TRP 33 -3.281 -0.814 10.056 286 HZ3 TRP 33 HZ3 TRP 33 -6.031 -4.021 9.384 287 HH2 TRP 33 HH2 TRP 33 -4.117 -3.063 10.595 288 H TYR 34 H TYR 34 -8.029 1.842 8.220 289 HA TYR 34 HA TYR 34 -8.943 4.177 6.669 290 HB2 TYR 34 HB2 TYR 34 -10.514 3.454 8.596 291 HB3 TYR 34 HB3 TYR 34 -9.238 3.981 9.664 292 HD1 TYR 34 HD1 TYR 34 -8.250 6.421 9.120 293 HD2 TYR 34 HD2 TYR 34 -12.160 5.052 8.078 294 HE1 TYR 34 HE1 TYR 34 -9.034 8.747 8.981 295 HE2 TYR 34 HE2 TYR 34 -12.949 7.362 7.955 296 HH TYR 34 HH TYR 34 -12.410 9.514 8.197 297 H TYR 35 H TYR 35 -7.217 5.357 6.205 298 HA TYR 35 HA TYR 35 -4.883 5.289 7.973 299 HB2 TYR 35 HB2 TYR 35 -5.219 6.618 5.271 300 HB3 TYR 35 HB3 TYR 35 -3.709 6.406 6.150 301 HD1 TYR 35 HD1 TYR 35 -2.884 4.027 6.578 302 HD2 TYR 35 HD2 TYR 35 -6.012 4.947 3.823 303 HE1 TYR 35 HE1 TYR 35 -2.544 1.854 5.484 304 HE2 TYR 35 HE2 TYR 35 -5.682 2.765 2.713 305 HH TYR 35 HH TYR 35 -3.363 0.397 3.986 306 H ASP 36 H ASP 36 -4.232 6.961 9.210 307 HA ASP 36 HA ASP 36 -5.681 9.518 8.958 308 HB2 ASP 36 HB2 ASP 36 -5.467 9.709 11.445 309 HB3 ASP 36 HB3 ASP 36 -6.540 8.423 10.907 310 H THR 37 H THR 37 -3.010 8.517 7.969 311 HA THR 37 HA THR 37 -1.537 10.871 8.322 312 HB THR 37 HB THR 37 0.365 9.284 9.565 313 HG1 THR 37 HG1 THR 37 -0.720 8.403 11.382 314 HG21 THR 37 HG21 THR 37 -1.358 11.575 10.320 315 HG22 THR 37 HG22 THR 37 0.397 11.436 10.331 316 HG23 THR 37 HG23 THR 37 -0.566 10.739 11.647 317 H ASN 38 H ASN 38 0.387 10.900 7.114 318 HA ASN 38 HA ASN 38 0.437 9.377 4.817 319 HB2 ASN 38 HB2 ASN 38 2.936 10.549 6.034 320 HB3 ASN 38 HB3 ASN 38 2.541 10.353 4.329 321 HD21 ASN 38 HD21 ASN 38 1.933 12.180 7.227 322 HD22 ASN 38 HD22 ASN 38 1.184 13.544 6.479 323 H GLU 39 H GLU 39 0.454 7.198 4.882 324 HA GLU 39 HA GLU 39 2.682 5.896 6.325 325 HB2 GLU 39 HB2 GLU 39 0.564 5.385 7.399 326 HB3 GLU 39 HB3 GLU 39 -0.128 4.873 5.863 327 HG2 GLU 39 HG2 GLU 39 1.257 2.955 5.758 328 HG3 GLU 39 HG3 GLU 39 2.297 3.541 7.056 329 H THR 40 H THR 40 3.982 6.064 4.439 330 HA THR 40 HA THR 40 3.239 5.134 1.888 331 HB THR 40 HB THR 40 6.005 5.138 3.120 332 HG1 THR 40 HG1 THR 40 6.145 7.190 2.092 333 HG21 THR 40 HG21 THR 40 6.403 3.980 1.199 334 HG22 THR 40 HG22 THR 40 6.410 5.608 0.512 335 HG23 THR 40 HG23 THR 40 4.965 4.620 0.399 336 H CYS 41 H CYS 41 3.571 3.175 0.823 337 HA CYS 41 HA CYS 41 4.505 0.890 2.365 338 HB2 CYS 41 HB2 CYS 41 2.431 -0.400 1.560 339 HB3 CYS 41 HB3 CYS 41 2.228 0.731 2.898 340 HG CYS 41 HG CYS 41 0.870 0.699 -0.125 341 H TYR 42 H TYR 42 5.617 -0.525 1.148 342 HA TYR 42 HA TYR 42 5.483 -0.193 -1.782 343 HB2 TYR 42 HB2 TYR 42 7.635 0.518 -0.917 344 HB3 TYR 42 HB3 TYR 42 7.818 -1.006 -0.029 345 HD1 TYR 42 HD1 TYR 42 7.216 0.043 -3.546 346 HD2 TYR 42 HD2 TYR 42 9.292 -2.571 -0.963 347 HE1 TYR 42 HE1 TYR 42 8.246 -0.958 -5.500 348 HE2 TYR 42 HE2 TYR 42 10.450 -3.482 -2.886 349 HH TYR 42 HH TYR 42 10.925 -3.108 -5.154 350 H ILE 43 H ILE 43 4.557 -1.832 -2.799 351 HA ILE 43 HA ILE 43 4.140 -4.368 -1.497 352 HB ILE 43 HB ILE 43 3.602 -3.665 -4.378 353 HG12 ILE 43 HG12 ILE 43 2.526 -2.029 -2.867 354 HG13 ILE 43 HG13 ILE 43 1.355 -3.029 -3.713 355 HG21 ILE 43 HG21 ILE 43 3.364 -5.979 -4.174 356 HG22 ILE 43 HG22 ILE 43 2.743 -5.878 -2.533 357 HG23 ILE 43 HG23 ILE 43 1.721 -5.405 -3.895 358 HD11 ILE 43 HD11 ILE 43 1.944 -4.342 -1.279 359 HD12 ILE 43 HD12 ILE 43 1.690 -2.636 -0.906 360 HD13 ILE 43 HD13 ILE 43 0.442 -3.555 -1.761 361 H LEU 44 H LEU 44 5.188 -6.252 -1.807 362 HA LEU 44 HA LEU 44 7.388 -6.294 -3.768 363 HB2 LEU 44 HB2 LEU 44 7.322 -7.702 -1.122 364 HB3 LEU 44 HB3 LEU 44 8.667 -7.655 -2.264 365 HG LEU 44 HG LEU 44 7.958 -4.967 -1.525 366 HD11 LEU 44 HD11 LEU 44 8.066 -6.989 0.678 367 HD12 LEU 44 HD12 LEU 44 7.194 -5.461 0.585 368 HD13 LEU 44 HD13 LEU 44 8.923 -5.477 0.899 369 HD21 LEU 44 HD21 LEU 44 10.448 -6.469 -0.752 370 HD22 LEU 44 HD22 LEU 44 10.250 -4.752 -1.124 371 HD23 LEU 44 HD23 LEU 44 10.129 -5.965 -2.408 372 H GLU 45 H GLU 45 4.744 -8.023 -2.288 373 HA GLU 45 HA GLU 45 4.597 -9.810 -4.534 374 HB2 GLU 45 HB2 GLU 45 4.756 -11.883 -3.159 375 HB3 GLU 45 HB3 GLU 45 6.278 -11.014 -3.329 376 HG2 GLU 45 HG2 GLU 45 5.903 -10.004 -1.086 377 HG3 GLU 45 HG3 GLU 45 4.462 -11.016 -0.919 378 H GLY 46 H GLY 46 2.646 -11.073 -4.523 379 HA2 GLY 46 HA2 GLY 46 0.556 -11.713 -3.611 380 HA3 GLY 46 HA3 GLY 46 0.714 -10.441 -2.406 381 H LYS 47 H LYS 47 -1.648 -10.443 -3.397 382 HA LYS 47 HA LYS 47 -1.657 -8.304 -5.430 383 HB2 LYS 47 HB2 LYS 47 -2.851 -10.912 -5.594 384 HB3 LYS 47 HB3 LYS 47 -4.124 -9.712 -5.536 385 HG2 LYS 47 HG2 LYS 47 -1.826 -9.774 -7.489 386 HG3 LYS 47 HG3 LYS 47 -3.495 -10.246 -7.826 387 HD2 LYS 47 HD2 LYS 47 -2.682 -7.486 -6.906 388 HD3 LYS 47 HD3 LYS 47 -2.860 -7.939 -8.601 389 HE2 LYS 47 HE2 LYS 47 -5.067 -8.600 -6.688 390 HE3 LYS 47 HE3 LYS 47 -4.832 -6.783 -7.329 391 HZ1 LYS 47 HZ1 LYS 47 -4.840 -7.964 -9.567 392 HZ2 LYS 47 HZ2 LYS 47 -6.290 -7.805 -8.668 393 HZ3 LYS 47 HZ3 LYS 47 -5.511 -9.296 -8.781 394 H VAL 48 H VAL 48 -3.715 -7.043 -5.418 395 HA VAL 48 HA VAL 48 -5.408 -6.999 -3.155 396 HB VAL 48 HB VAL 48 -3.920 -6.121 -1.714 397 HG11 VAL 48 HG11 VAL 48 -1.969 -6.241 -2.928 398 HG12 VAL 48 HG12 VAL 48 -2.497 -5.014 -4.101 399 HG13 VAL 48 HG13 VAL 48 -1.995 -4.487 -2.455 400 HG21 VAL 48 HG21 VAL 48 -4.076 -3.671 -1.600 401 HG22 VAL 48 HG22 VAL 48 -4.781 -3.679 -3.212 402 HG23 VAL 48 HG23 VAL 48 -5.635 -4.454 -1.886 403 H GLU 49 H GLU 49 -7.133 -5.631 -3.417 404 HA GLU 49 HA GLU 49 -6.930 -3.752 -5.683 405 HB2 GLU 49 HB2 GLU 49 -8.629 -6.121 -5.437 406 HB3 GLU 49 HB3 GLU 49 -9.626 -4.679 -5.591 407 HG2 GLU 49 HG2 GLU 49 -8.322 -4.035 -7.594 408 HG3 GLU 49 HG3 GLU 49 -7.476 -5.581 -7.478 409 H VAL 50 H VAL 50 -6.823 -1.947 -4.239 410 HA VAL 50 HA VAL 50 -8.722 -1.608 -2.114 411 HB VAL 50 HB VAL 50 -6.747 0.360 -3.285 412 HG11 VAL 50 HG11 VAL 50 -8.856 0.761 -1.474 413 HG12 VAL 50 HG12 VAL 50 -7.383 0.734 -0.506 414 HG13 VAL 50 HG13 VAL 50 -7.540 1.867 -1.851 415 HG21 VAL 50 HG21 VAL 50 -5.210 -0.303 -1.606 416 HG22 VAL 50 HG22 VAL 50 -6.422 -1.286 -0.794 417 HG23 VAL 50 HG23 VAL 50 -5.790 -1.787 -2.356 418 H THR 51 H THR 51 -10.771 -1.115 -2.565 419 HA THR 51 HA THR 51 -11.333 0.694 -4.831 420 HB THR 51 HB THR 51 -13.149 -1.284 -3.442 421 HG1 THR 51 HG1 THR 51 -12.511 -2.590 -4.956 422 HG21 THR 51 HG21 THR 51 -13.660 0.897 -5.418 423 HG22 THR 51 HG22 THR 51 -14.675 0.304 -4.103 424 HG23 THR 51 HG23 THR 51 -14.548 -0.617 -5.603 425 H THR 52 H THR 52 -11.384 2.729 -4.102 426 HA THR 52 HA THR 52 -12.120 3.494 -1.478 427 HB THR 52 HB THR 52 -12.059 5.774 -2.269 428 HG1 THR 52 HG1 THR 52 -12.450 4.535 -4.758 429 HG21 THR 52 HG21 THR 52 -9.845 5.772 -3.463 430 HG22 THR 52 HG22 THR 52 -9.957 4.011 -3.541 431 HG23 THR 52 HG23 THR 52 -9.883 4.823 -1.976 432 H GLU 53 H GLU 53 -13.966 4.733 -0.798 433 HA GLU 53 HA GLU 53 -16.422 3.589 -1.380 434 HB2 GLU 53 HB2 GLU 53 -15.955 4.935 0.636 435 HB3 GLU 53 HB3 GLU 53 -15.903 6.382 -0.362 436 HG2 GLU 53 HG2 GLU 53 -18.318 5.581 -1.061 437 HG3 GLU 53 HG3 GLU 53 -18.239 4.803 0.510 438 H ASP 54 H ASP 54 -14.859 6.410 -2.830 439 HA ASP 54 HA ASP 54 -16.964 7.473 -4.281 440 HB2 ASP 54 HB2 ASP 54 -14.461 8.221 -4.044 441 HB3 ASP 54 HB3 ASP 54 -14.238 7.270 -5.517 442 H GLY 55 H GLY 55 -15.153 4.549 -4.845 443 HA2 GLY 55 HA2 GLY 55 -16.301 2.795 -6.107 444 HA3 GLY 55 HA3 GLY 55 -16.832 4.033 -7.233 445 H LYS 56 H LYS 56 -13.744 4.832 -6.423 446 HA LYS 56 HA LYS 56 -12.723 3.824 -8.940 447 HB2 LYS 56 HB2 LYS 56 -11.524 5.621 -6.822 448 HB3 LYS 56 HB3 LYS 56 -10.664 5.135 -8.282 449 HG2 LYS 56 HG2 LYS 56 -13.260 6.158 -8.971 450 HG3 LYS 56 HG3 LYS 56 -12.399 7.308 -7.929 451 HD2 LYS 56 HD2 LYS 56 -10.566 7.427 -9.426 452 HD3 LYS 56 HD3 LYS 56 -11.135 6.028 -10.352 453 HE2 LYS 56 HE2 LYS 56 -12.583 7.249 -11.559 454 HE3 LYS 56 HE3 LYS 56 -13.094 8.211 -10.190 455 HZ1 LYS 56 HZ1 LYS 56 -11.657 9.197 -12.154 456 HZ2 LYS 56 HZ2 LYS 56 -10.402 8.704 -11.150 457 HZ3 LYS 56 HZ3 LYS 56 -11.581 9.784 -10.583 458 H LYS 57 H LYS 57 -11.822 1.870 -9.089 459 HA LYS 57 HA LYS 57 -10.896 0.466 -6.745 460 HB2 LYS 57 HB2 LYS 57 -10.537 -0.437 -9.596 461 HB3 LYS 57 HB3 LYS 57 -10.666 -1.419 -8.139 462 HG2 LYS 57 HG2 LYS 57 -13.093 -0.076 -8.233 463 HG3 LYS 57 HG3 LYS 57 -12.653 -0.369 -9.898 464 HD2 LYS 57 HD2 LYS 57 -12.683 -2.700 -9.546 465 HD3 LYS 57 HD3 LYS 57 -12.537 -2.495 -7.787 466 HE2 LYS 57 HE2 LYS 57 -14.874 -1.139 -8.616 467 HE3 LYS 57 HE3 LYS 57 -14.915 -2.751 -9.366 468 HZ1 LYS 57 HZ1 LYS 57 -15.052 -3.756 -7.345 469 HZ2 LYS 57 HZ2 LYS 57 -15.828 -2.304 -7.003 470 HZ3 LYS 57 HZ3 LYS 57 -14.211 -2.535 -6.532 471 H TYR 58 H TYR 58 -8.766 -0.447 -6.535 472 HA TYR 58 HA TYR 58 -6.645 0.739 -8.112 473 HB2 TYR 58 HB2 TYR 58 -6.863 1.117 -5.142 474 HB3 TYR 58 HB3 TYR 58 -5.424 1.484 -6.072 475 HD1 TYR 58 HD1 TYR 58 -5.486 3.317 -7.769 476 HD2 TYR 58 HD2 TYR 58 -8.693 2.649 -5.036 477 HE1 TYR 58 HE1 TYR 58 -6.326 5.574 -8.209 478 HE2 TYR 58 HE2 TYR 58 -9.555 4.912 -5.488 479 HH TYR 58 HH TYR 58 -7.787 7.183 -7.529 480 H VAL 59 H VAL 59 -6.079 -1.279 -8.843 481 HA VAL 59 HA VAL 59 -5.585 -3.419 -6.973 482 HB VAL 59 HB VAL 59 -6.484 -4.178 -9.022 483 HG11 VAL 59 HG11 VAL 59 -5.221 -3.709 -11.168 484 HG12 VAL 59 HG12 VAL 59 -6.122 -2.240 -10.392 485 HG13 VAL 59 HG13 VAL 59 -4.471 -2.381 -10.248 486 HG21 VAL 59 HG21 VAL 59 -5.054 -5.879 -9.398 487 HG22 VAL 59 HG22 VAL 59 -3.708 -4.802 -9.775 488 HG23 VAL 59 HG23 VAL 59 -4.106 -5.154 -8.095 489 H ILE 60 H ILE 60 -3.669 -3.726 -5.966 490 HA ILE 60 HA ILE 60 -1.260 -2.509 -7.099 491 HB ILE 60 HB ILE 60 -0.690 -3.119 -4.475 492 HG12 ILE 60 HG12 ILE 60 -3.343 -3.321 -4.488 493 HG13 ILE 60 HG13 ILE 60 -2.440 -2.786 -3.083 494 HG21 ILE 60 HG21 ILE 60 -0.394 -1.404 -5.491 495 HG22 ILE 60 HG22 ILE 60 -1.246 -0.519 -5.863 496 HG23 ILE 60 HG23 ILE 60 -0.877 -0.562 -4.219 497 HD11 ILE 60 HD11 ILE 60 -2.979 -0.538 -3.490 498 HD12 ILE 60 HD12 ILE 60 -3.488 -0.850 -5.151 499 HD13 ILE 60 HD13 ILE 60 -4.479 -1.412 -3.804 500 H GLU 61 H GLU 61 0.624 -3.688 -7.239 501 HA GLU 61 HA GLU 61 0.532 -6.487 -6.393 502 HB2 GLU 61 HB2 GLU 61 0.863 -5.463 -9.198 503 HB3 GLU 61 HB3 GLU 61 1.724 -6.916 -8.719 504 HG2 GLU 61 HG2 GLU 61 -0.650 -7.639 -7.840 505 HG3 GLU 61 HG3 GLU 61 -1.191 -6.467 -9.049 506 H LYS 62 H LYS 62 2.881 -7.396 -7.309 507 HA LYS 62 HA LYS 62 4.790 -6.104 -5.619 508 HB2 LYS 62 HB2 LYS 62 6.357 -7.792 -6.511 509 HB3 LYS 62 HB3 LYS 62 4.860 -8.481 -5.883 510 HG2 LYS 62 HG2 LYS 62 4.434 -8.037 -8.625 511 HG3 LYS 62 HG3 LYS 62 6.142 -8.780 -8.367 512 HD2 LYS 62 HD2 LYS 62 5.039 -10.679 -8.433 513 HD3 LYS 62 HD3 LYS 62 4.664 -10.310 -6.761 514 HE2 LYS 62 HE2 LYS 62 2.491 -9.392 -7.421 515 HE3 LYS 62 HE3 LYS 62 2.863 -9.692 -9.118 516 HZ1 LYS 62 HZ1 LYS 62 2.725 -11.982 -8.817 517 HZ2 LYS 62 HZ2 LYS 62 1.433 -11.379 -7.931 518 HZ3 LYS 62 HZ3 LYS 62 2.841 -11.881 -7.144 519 H GLY 63 H GLY 63 4.391 -3.989 -6.847 520 HA2 GLY 63 HA2 GLY 63 6.682 -3.070 -8.008 521 HA3 GLY 63 HA3 GLY 63 5.775 -3.720 -9.370 522 H ASP 64 H ASP 64 4.432 -2.117 -6.519 523 HA ASP 64 HA ASP 64 3.981 0.354 -7.972 524 HB2 ASP 64 HB2 ASP 64 1.653 -1.395 -7.133 525 HB3 ASP 64 HB3 ASP 64 1.515 0.272 -7.675 526 H LEU 65 H LEU 65 4.842 1.623 -6.422 527 HA LEU 65 HA LEU 65 4.367 1.150 -3.618 528 HB2 LEU 65 HB2 LEU 65 6.330 2.405 -5.089 529 HB3 LEU 65 HB3 LEU 65 5.477 3.765 -4.350 530 HG LEU 65 HG LEU 65 6.238 1.492 -2.557 531 HD11 LEU 65 HD11 LEU 65 8.321 3.450 -3.532 532 HD12 LEU 65 HD12 LEU 65 8.186 1.778 -4.060 533 HD13 LEU 65 HD13 LEU 65 8.508 2.141 -2.376 534 HD21 LEU 65 HD21 LEU 65 6.659 2.967 -1.229 535 HD22 LEU 65 HD22 LEU 65 4.919 4.091 -1.597 536 HD23 LEU 65 HD23 LEU 65 6.600 4.649 -2.042 537 H VAL 66 H VAL 66 2.815 2.016 -2.393 538 HA VAL 66 HA VAL 66 1.236 4.234 -3.552 539 HB VAL 66 HB VAL 66 0.168 2.199 -1.580 540 HG11 VAL 66 HG11 VAL 66 -1.390 3.840 -1.503 541 HG12 VAL 66 HG12 VAL 66 -0.905 4.523 -3.058 542 HG13 VAL 66 HG13 VAL 66 -1.953 3.099 -2.988 543 HG21 VAL 66 HG21 VAL 66 -1.008 1.629 -4.008 544 HG22 VAL 66 HG22 VAL 66 0.677 1.902 -4.439 545 HG23 VAL 66 HG23 VAL 66 0.269 0.701 -3.212 546 H THR 67 H THR 67 0.561 5.882 -2.171 547 HA THR 67 HA THR 67 1.485 5.836 0.612 548 HB THR 67 HB THR 67 2.156 8.120 -1.251 549 HG1 THR 67 HG1 THR 67 4.096 6.492 -0.038 550 HG21 THR 67 HG21 THR 67 2.204 9.203 0.730 551 HG22 THR 67 HG22 THR 67 3.742 8.370 0.954 552 HG23 THR 67 HG23 THR 67 2.269 7.709 1.669 553 H PHE 68 H PHE 68 -0.508 5.981 1.538 554 HA PHE 68 HA PHE 68 -2.538 7.715 0.484 555 HB2 PHE 68 HB2 PHE 68 -2.466 6.271 3.147 556 HB3 PHE 68 HB3 PHE 68 -3.888 6.946 2.357 557 HD1 PHE 68 HD1 PHE 68 -4.606 5.957 0.135 558 HD2 PHE 68 HD2 PHE 68 -1.767 4.088 2.703 559 HE1 PHE 68 HE1 PHE 68 -4.997 3.801 -1.008 560 HE2 PHE 68 HE2 PHE 68 -2.135 1.952 1.569 561 HZ PHE 68 HZ PHE 68 -3.754 1.820 -0.291 562 HA PRO 69 HA PRO 69 -1.496 11.399 2.668 563 HB2 PRO 69 HB2 PRO 69 -3.944 12.561 2.815 564 HB3 PRO 69 HB3 PRO 69 -3.011 12.439 1.315 565 HG2 PRO 69 HG2 PRO 69 -5.258 10.685 2.288 566 HG3 PRO 69 HG3 PRO 69 -5.005 11.378 0.677 567 HD2 PRO 69 HD2 PRO 69 -4.372 8.811 1.311 568 HD3 PRO 69 HD3 PRO 69 -3.366 9.721 0.173 569 H LYS 70 H LYS 70 -2.953 12.821 4.447 570 HA LYS 70 HA LYS 70 -2.971 11.045 6.778 571 HB2 LYS 70 HB2 LYS 70 -1.536 13.043 6.870 572 HB3 LYS 70 HB3 LYS 70 -2.951 14.071 6.616 573 HG2 LYS 70 HG2 LYS 70 -3.789 13.710 8.728 574 HG3 LYS 70 HG3 LYS 70 -2.919 12.191 8.918 575 HD2 LYS 70 HD2 LYS 70 -0.835 13.323 9.268 576 HD3 LYS 70 HD3 LYS 70 -1.540 14.851 8.740 577 HE2 LYS 70 HE2 LYS 70 -3.007 13.672 10.948 578 HE3 LYS 70 HE3 LYS 70 -1.274 13.873 11.309 579 HZ1 LYS 70 HZ1 LYS 70 -3.287 15.833 11.312 580 HZ2 LYS 70 HZ2 LYS 70 -2.280 16.195 10.029 581 HZ3 LYS 70 HZ3 LYS 70 -1.646 16.042 11.583 582 H GLY 71 H GLY 71 -5.098 10.246 5.777 583 HA2 GLY 71 HA2 GLY 71 -7.235 10.400 7.214 584 HA3 GLY 71 HA3 GLY 71 -7.328 12.025 6.552 585 H LEU 72 H LEU 72 -7.412 8.595 5.732 586 HA LEU 72 HA LEU 72 -9.242 9.210 3.549 587 HB2 LEU 72 HB2 LEU 72 -7.172 9.222 2.370 588 HB3 LEU 72 HB3 LEU 72 -6.620 7.769 3.202 589 HG LEU 72 HG LEU 72 -8.623 6.464 1.906 590 HD11 LEU 72 HD11 LEU 72 -8.767 8.825 0.211 591 HD12 LEU 72 HD12 LEU 72 -9.773 8.604 1.645 592 HD13 LEU 72 HD13 LEU 72 -9.754 7.349 0.405 593 HD21 LEU 72 HD21 LEU 72 -5.918 7.193 1.136 594 HD22 LEU 72 HD22 LEU 72 -6.894 7.847 -0.178 595 HD23 LEU 72 HD23 LEU 72 -6.990 6.128 0.222 596 H ARG 73 H ARG 73 -10.617 7.505 3.007 597 HA ARG 73 HA ARG 73 -10.375 5.079 4.664 598 HB2 ARG 73 HB2 ARG 73 -12.837 5.097 4.928 599 HB3 ARG 73 HB3 ARG 73 -12.052 6.462 5.709 600 HG2 ARG 73 HG2 ARG 73 -12.966 6.948 2.943 601 HG3 ARG 73 HG3 ARG 73 -14.236 6.670 4.134 602 HD2 ARG 73 HD2 ARG 73 -13.510 8.492 5.467 603 HD3 ARG 73 HD3 ARG 73 -11.987 8.630 4.586 604 HE ARG 73 HE ARG 73 -14.007 9.027 2.730 605 HH11 ARG 73 HH11 ARG 73 -12.876 10.553 5.666 606 HH12 ARG 73 HH12 ARG 73 -13.383 12.136 5.208 607 HH21 ARG 73 HH21 ARG 73 -14.670 11.114 2.102 608 HH22 ARG 73 HH22 ARG 73 -14.422 12.463 3.179 609 H CYS 74 H CYS 74 -10.874 3.173 3.672 610 HA CYS 74 HA CYS 74 -12.463 2.868 1.391 611 HB2 CYS 74 HB2 CYS 74 -10.631 2.333 -0.276 612 HB3 CYS 74 HB3 CYS 74 -10.827 4.043 0.112 613 HG CYS 74 HG CYS 74 -8.417 2.002 1.326 614 H ARG 75 H ARG 75 -11.900 0.673 0.252 615 HA ARG 75 HA ARG 75 -11.455 -1.251 2.423 616 HB2 ARG 75 HB2 ARG 75 -13.028 -1.208 -0.082 617 HB3 ARG 75 HB3 ARG 75 -12.224 -2.739 0.259 618 HG2 ARG 75 HG2 ARG 75 -14.426 -2.819 1.181 619 HG3 ARG 75 HG3 ARG 75 -13.255 -2.748 2.494 620 HD2 ARG 75 HD2 ARG 75 -15.019 -1.262 3.079 621 HD3 ARG 75 HD3 ARG 75 -13.647 -0.268 2.602 622 HE ARG 75 HE ARG 75 -14.851 0.491 0.800 623 HH11 ARG 75 HH11 ARG 75 -16.475 -2.269 2.211 624 HH12 ARG 75 HH12 ARG 75 -17.899 -2.106 1.258 625 HH21 ARG 75 HH21 ARG 75 -16.757 0.736 -0.473 626 HH22 ARG 75 HH22 ARG 75 -18.062 -0.381 -0.276 627 H TRP 76 H TRP 76 -10.196 -3.201 2.007 628 HA TRP 76 HA TRP 76 -8.090 -2.823 -0.029 629 HB2 TRP 76 HB2 TRP 76 -7.823 -2.966 2.897 630 HB3 TRP 76 HB3 TRP 76 -6.777 -4.086 2.032 631 HD1 TRP 76 HD1 TRP 76 -7.567 -0.298 2.023 632 HE1 TRP 76 HE1 TRP 76 -5.405 0.946 1.383 633 HE3 TRP 76 HE3 TRP 76 -4.546 -4.326 1.069 634 HZ2 TRP 76 HZ2 TRP 76 -2.690 0.361 0.680 635 HZ3 TRP 76 HZ3 TRP 76 -2.223 -3.935 0.382 636 HH2 TRP 76 HH2 TRP 76 -1.332 -1.655 0.179 637 H LYS 77 H LYS 77 -9.394 -4.344 -1.257 638 HA LYS 77 HA LYS 77 -10.002 -6.950 -0.338 639 HB2 LYS 77 HB2 LYS 77 -11.094 -6.031 -2.292 640 HB3 LYS 77 HB3 LYS 77 -9.563 -5.871 -3.133 641 HG2 LYS 77 HG2 LYS 77 -9.778 -7.891 -3.963 642 HG3 LYS 77 HG3 LYS 77 -9.853 -8.593 -2.342 643 HD2 LYS 77 HD2 LYS 77 -12.367 -7.594 -2.580 644 HD3 LYS 77 HD3 LYS 77 -12.007 -7.984 -4.271 645 HE2 LYS 77 HE2 LYS 77 -11.086 -10.174 -2.815 646 HE3 LYS 77 HE3 LYS 77 -12.601 -9.734 -2.023 647 HZ1 LYS 77 HZ1 LYS 77 -12.573 -11.321 -4.060 648 HZ2 LYS 77 HZ2 LYS 77 -12.526 -9.887 -4.945 649 HZ3 LYS 77 HZ3 LYS 77 -13.806 -10.190 -3.888 650 H VAL 78 H VAL 78 -8.259 -7.930 0.666 651 HA VAL 78 HA VAL 78 -5.682 -8.100 -0.574 652 HB VAL 78 HB VAL 78 -6.569 -9.919 1.643 653 HG11 VAL 78 HG11 VAL 78 -4.118 -8.935 2.291 654 HG12 VAL 78 HG12 VAL 78 -4.396 -10.403 1.358 655 HG13 VAL 78 HG13 VAL 78 -4.046 -8.888 0.525 656 HG21 VAL 78 HG21 VAL 78 -6.090 -6.951 1.831 657 HG22 VAL 78 HG22 VAL 78 -7.449 -7.892 2.454 658 HG23 VAL 78 HG23 VAL 78 -5.862 -8.040 3.206 659 H LEU 79 H LEU 79 -6.791 -8.958 -2.600 660 HA LEU 79 HA LEU 79 -7.924 -11.434 -2.903 661 HB2 LEU 79 HB2 LEU 79 -5.898 -10.086 -4.684 662 HB3 LEU 79 HB3 LEU 79 -6.850 -11.489 -5.167 663 HG LEU 79 HG LEU 79 -8.038 -8.826 -4.367 664 HD11 LEU 79 HD11 LEU 79 -7.140 -8.115 -6.361 665 HD12 LEU 79 HD12 LEU 79 -8.491 -9.011 -6.994 666 HD13 LEU 79 HD13 LEU 79 -6.915 -9.790 -6.914 667 HD21 LEU 79 HD21 LEU 79 -10.080 -9.728 -4.824 668 HD22 LEU 79 HD22 LEU 79 -9.267 -11.249 -4.433 669 HD23 LEU 79 HD23 LEU 79 -9.453 -10.745 -6.120 670 H GLU 80 H GLU 80 -4.590 -10.682 -2.185 671 HA GLU 80 HA GLU 80 -4.090 -13.504 -1.725 672 HB2 GLU 80 HB2 GLU 80 -2.837 -11.883 -3.851 673 HB3 GLU 80 HB3 GLU 80 -1.690 -12.756 -2.852 674 HG2 GLU 80 HG2 GLU 80 -2.279 -14.840 -3.540 675 HG3 GLU 80 HG3 GLU 80 -4.045 -14.187 -4.001 676 HA PRO 81 HA PRO 81 -1.797 -12.155 1.756 677 HB2 PRO 81 HB2 PRO 81 0.364 -13.813 1.785 678 HB3 PRO 81 HB3 PRO 81 -1.281 -14.357 2.177 679 HG2 PRO 81 HG2 PRO 81 0.250 -14.609 -0.397 680 HG3 PRO 81 HG3 PRO 81 -0.736 -15.828 0.414 681 HD2 PRO 81 HD2 PRO 81 -1.660 -14.385 -1.669 682 HD3 PRO 81 HD3 PRO 81 -2.723 -14.914 -0.359 683 H VAL 82 H VAL 82 -1.270 -10.050 0.897 684 HA VAL 82 HA VAL 82 1.219 -9.673 -0.506 685 HB VAL 82 HB VAL 82 -0.874 -8.210 -0.723 686 HG11 VAL 82 HG11 VAL 82 0.284 -6.947 1.767 687 HG12 VAL 82 HG12 VAL 82 -1.104 -6.370 0.834 688 HG13 VAL 82 HG13 VAL 82 -1.200 -7.900 1.715 689 HG21 VAL 82 HG21 VAL 82 1.892 -7.067 -0.342 690 HG22 VAL 82 HG22 VAL 82 1.090 -7.534 -1.843 691 HG23 VAL 82 HG23 VAL 82 0.540 -6.114 -0.957 692 H ARG 83 H ARG 83 3.059 -8.578 0.271 693 HA ARG 83 HA ARG 83 3.263 -8.278 3.196 694 HB2 ARG 83 HB2 ARG 83 4.284 -10.469 1.975 695 HB3 ARG 83 HB3 ARG 83 5.648 -9.378 1.800 696 HG2 ARG 83 HG2 ARG 83 5.900 -9.058 4.136 697 HG3 ARG 83 HG3 ARG 83 4.300 -9.767 4.460 698 HD2 ARG 83 HD2 ARG 83 4.918 -11.936 4.223 699 HD3 ARG 83 HD3 ARG 83 6.136 -11.584 2.997 700 HE ARG 83 HE ARG 83 7.246 -10.520 5.189 701 HH11 ARG 83 HH11 ARG 83 5.802 -13.641 4.566 702 HH12 ARG 83 HH12 ARG 83 6.809 -14.486 5.703 703 HH21 ARG 83 HH21 ARG 83 8.593 -11.633 6.677 704 HH22 ARG 83 HH22 ARG 83 8.380 -13.329 6.911 705 H LYS 84 H LYS 84 2.880 -6.045 2.174 706 HA LYS 84 HA LYS 84 5.163 -4.829 0.893 707 HB2 LYS 84 HB2 LYS 84 3.834 -2.945 0.626 708 HB3 LYS 84 HB3 LYS 84 2.624 -4.212 0.700 709 HG2 LYS 84 HG2 LYS 84 3.461 -2.404 2.971 710 HG3 LYS 84 HG3 LYS 84 1.985 -2.292 2.020 711 HD2 LYS 84 HD2 LYS 84 2.733 -4.696 3.683 712 HD3 LYS 84 HD3 LYS 84 1.697 -3.392 4.249 713 HE2 LYS 84 HE2 LYS 84 1.153 -5.023 1.757 714 HE3 LYS 84 HE3 LYS 84 0.501 -5.420 3.346 715 HZ1 LYS 84 HZ1 LYS 84 -0.511 -3.169 3.357 716 HZ2 LYS 84 HZ2 LYS 84 -1.126 -4.175 2.164 717 HZ3 LYS 84 HZ3 LYS 84 -0.029 -2.971 1.759 718 H HIS 85 H HIS 85 5.841 -2.588 1.910 719 HA HIS 85 HA HIS 85 6.527 -3.088 4.745 720 HB2 HIS 85 HB2 HIS 85 8.139 -2.288 2.432 721 HB3 HIS 85 HB3 HIS 85 8.384 -1.275 3.844 722 HD1 HIS 85 HD1 HIS 85 9.635 -4.258 2.364 723 HD2 HIS 85 HD2 HIS 85 8.885 -2.988 6.252 724 HE1 HIS 85 HE1 HIS 85 11.023 -5.769 3.857 725 H TYR 86 H TYR 86 5.116 -1.883 5.891 726 HA TYR 86 HA TYR 86 4.329 0.764 4.970 727 HB2 TYR 86 HB2 TYR 86 2.665 0.702 6.601 728 HB3 TYR 86 HB3 TYR 86 2.792 -0.979 6.101 729 HD1 TYR 86 HD1 TYR 86 3.902 -2.632 7.577 730 HD2 TYR 86 HD2 TYR 86 3.251 1.395 8.827 731 HE1 TYR 86 HE1 TYR 86 4.287 -3.303 9.915 732 HE2 TYR 86 HE2 TYR 86 3.641 0.742 11.167 733 HH TYR 86 HH TYR 86 3.465 -1.384 12.532 734 H ASN 87 H ASN 87 4.579 2.668 6.270 735 HA ASN 87 HA ASN 87 6.317 2.649 8.556 736 HB2 ASN 87 HB2 ASN 87 7.737 2.530 6.298 737 HB3 ASN 87 HB3 ASN 87 7.447 4.266 6.309 738 HD21 ASN 87 HD21 ASN 87 9.604 4.742 6.674 739 HD22 ASN 87 HD22 ASN 87 10.374 4.465 8.200 740 H LEU 88 H LEU 88 5.018 3.934 9.734 741 HA LEU 88 HA LEU 88 3.497 6.089 8.672 742 HB2 LEU 88 HB2 LEU 88 4.300 5.745 11.557 743 HB3 LEU 88 HB3 LEU 88 2.867 6.553 10.918 744 HG LEU 88 HG LEU 88 3.348 3.580 10.670 745 HD11 LEU 88 HD11 LEU 88 1.305 4.482 12.561 746 HD12 LEU 88 HD12 LEU 88 2.957 4.873 13.053 747 HD13 LEU 88 HD13 LEU 88 2.510 3.200 12.705 748 HD21 LEU 88 HD21 LEU 88 1.071 3.451 10.039 749 HD22 LEU 88 HD22 LEU 88 1.766 4.767 9.088 750 HD23 LEU 88 HD23 LEU 88 0.762 5.130 10.492 751 H PHE 89 H PHE 89 3.770 8.345 8.937 752 HA PHE 89 HA PHE 89 6.026 9.499 10.191 753 HB2 PHE 89 HB2 PHE 89 7.375 10.137 8.340 754 HB3 PHE 89 HB3 PHE 89 7.092 8.412 8.164 755 HD1 PHE 89 HD1 PHE 89 5.472 7.583 6.489 756 HD2 PHE 89 HD2 PHE 89 6.592 11.692 6.724 757 HE1 PHE 89 HE1 PHE 89 4.589 7.946 4.220 758 HE2 PHE 89 HE2 PHE 89 5.726 12.063 4.447 759 HZ PHE 89 HZ PHE 89 4.729 10.186 3.182
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