NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
633075 | 6c2v | 30395 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 2.760 -1.066 -0.039 2 H2 MET 1 H2 MET 1 1.243 -0.899 0.534 3 H3 MET 1 H3 MET 1 2.337 0.292 0.785 4 HA MET 1 HA MET 1 0.803 0.943 -0.927 5 HB2 MET 1 HB2 MET 1 2.305 1.820 -2.438 6 HB3 MET 1 HB3 MET 1 3.272 1.615 -0.992 7 HG2 MET 1 HG2 MET 1 3.307 -0.167 -3.467 8 HG3 MET 1 HG3 MET 1 4.514 1.010 -2.996 9 HE1 MET 1 HE1 MET 1 6.504 -0.622 -3.261 10 HE2 MET 1 HE2 MET 1 6.500 -2.281 -2.625 11 HE3 MET 1 HE3 MET 1 5.328 -1.802 -3.880 12 H ARG 2 H ARG 2 0.269 0.671 -3.339 13 HA ARG 2 HA ARG 2 -0.262 -2.222 -3.869 14 HB2 ARG 2 HB2 ARG 2 -2.187 -0.550 -3.675 15 HB3 ARG 2 HB3 ARG 2 -1.594 0.166 -5.159 16 HG2 ARG 2 HG2 ARG 2 -1.938 -1.926 -6.396 17 HG3 ARG 2 HG3 ARG 2 -2.197 -2.837 -4.902 18 HD2 ARG 2 HD2 ARG 2 -4.049 -0.735 -6.044 19 HD3 ARG 2 HD3 ARG 2 -4.250 -2.483 -6.193 20 HE ARG 2 HE ARG 2 -4.761 -0.796 -3.854 21 HH11 ARG 2 HH11 ARG 2 -4.922 -4.115 -5.017 22 HH12 ARG 2 HH12 ARG 2 -5.298 -4.732 -3.445 23 HH21 ARG 2 HH21 ARG 2 -5.418 -1.656 -1.915 24 HH22 ARG 2 HH22 ARG 2 -5.734 -3.367 -1.792 25 H VAL 3 H VAL 3 0.171 -3.210 -5.701 26 HA VAL 3 HA VAL 3 1.888 -1.858 -7.738 27 HB VAL 3 HB VAL 3 2.130 -4.674 -6.588 28 HG11 VAL 3 HG11 VAL 3 4.150 -4.841 -8.057 29 HG12 VAL 3 HG12 VAL 3 2.655 -4.781 -8.983 30 HG13 VAL 3 HG13 VAL 3 3.670 -3.324 -8.858 31 HG21 VAL 3 HG21 VAL 3 3.116 -2.961 -5.132 32 HG22 VAL 3 HG22 VAL 3 4.386 -3.899 -5.918 33 HG23 VAL 3 HG23 VAL 3 3.993 -2.271 -6.513 34 H ILE 4 H ILE 4 1.478 -2.332 -9.861 35 HA ILE 4 HA ILE 4 -0.572 -4.361 -10.618 36 HB ILE 4 HB ILE 4 -0.609 -1.417 -11.203 37 HG12 ILE 4 HG12 ILE 4 -2.409 -3.546 -9.997 38 HG13 ILE 4 HG13 ILE 4 -1.923 -2.005 -9.297 39 HG21 ILE 4 HG21 ILE 4 -2.114 -3.525 -12.785 40 HG22 ILE 4 HG22 ILE 4 -2.289 -1.758 -12.933 41 HG23 ILE 4 HG23 ILE 4 -0.771 -2.496 -13.391 42 HD11 ILE 4 HD11 ILE 4 -4.039 -2.546 -11.388 43 HD12 ILE 4 HD12 ILE 4 -4.233 -1.793 -9.793 44 HD13 ILE 4 HD13 ILE 4 -3.370 -0.925 -11.097 45 H VAL 5 H VAL 5 -0.291 -5.228 -12.574 46 HA VAL 5 HA VAL 5 1.941 -4.252 -14.251 47 HB VAL 5 HB VAL 5 1.481 -7.210 -13.826 48 HG11 VAL 5 HG11 VAL 5 3.657 -5.714 -15.352 49 HG12 VAL 5 HG12 VAL 5 3.524 -7.475 -15.150 50 HG13 VAL 5 HG13 VAL 5 2.303 -6.598 -16.087 51 HG21 VAL 5 HG21 VAL 5 3.730 -5.436 -12.798 52 HG22 VAL 5 HG22 VAL 5 2.541 -6.316 -11.821 53 HG23 VAL 5 HG23 VAL 5 3.730 -7.216 -12.763 54 H VAL 6 H VAL 6 1.078 -3.550 -16.070 55 HA VAL 6 HA VAL 6 -1.383 -4.916 -17.139 56 HB VAL 6 HB VAL 6 -0.400 -2.162 -17.916 57 HG11 VAL 6 HG11 VAL 6 -2.981 -3.715 -18.344 58 HG12 VAL 6 HG12 VAL 6 -2.783 -1.988 -18.692 59 HG13 VAL 6 HG13 VAL 6 -1.825 -3.171 -19.586 60 HG21 VAL 6 HG21 VAL 6 -2.358 -3.049 -15.763 61 HG22 VAL 6 HG22 VAL 6 -1.003 -1.903 -15.617 62 HG23 VAL 6 HG23 VAL 6 -2.453 -1.427 -16.498 63 H ILE 7 H ILE 7 -1.331 -5.779 -19.212 64 HA ILE 7 HA ILE 7 1.244 -5.520 -20.717 65 HB ILE 7 HB ILE 7 -0.302 -8.103 -20.403 66 HG12 ILE 7 HG12 ILE 7 1.898 -8.811 -19.199 67 HG13 ILE 7 HG13 ILE 7 2.097 -7.085 -18.848 68 HG21 ILE 7 HG21 ILE 7 2.319 -7.391 -21.765 69 HG22 ILE 7 HG22 ILE 7 1.858 -9.048 -21.378 70 HG23 ILE 7 HG23 ILE 7 0.852 -8.113 -22.468 71 HD11 ILE 7 HD11 ILE 7 -0.369 -8.716 -18.075 72 HD12 ILE 7 HD12 ILE 7 1.051 -8.521 -17.040 73 HD13 ILE 7 HD13 ILE 7 0.107 -7.098 -17.480 74 H VAL 8 H VAL 8 1.133 -5.404 -22.963 75 HA VAL 8 HA VAL 8 -1.461 -5.018 -24.242 76 HB VAL 8 HB VAL 8 1.232 -5.402 -25.586 77 HG11 VAL 8 HG11 VAL 8 -1.379 -4.182 -26.577 78 HG12 VAL 8 HG12 VAL 8 0.148 -4.269 -27.490 79 HG13 VAL 8 HG13 VAL 8 -0.725 -5.756 -27.080 80 HG21 VAL 8 HG21 VAL 8 1.316 -3.427 -24.120 81 HG22 VAL 8 HG22 VAL 8 1.207 -2.914 -25.805 82 HG23 VAL 8 HG23 VAL 8 -0.237 -2.849 -24.771 83 H GLY 9 H GLY 9 -2.815 -6.713 -24.320 84 HA2 GLY 9 HA2 GLY 9 -2.206 -9.252 -25.583 85 HA3 GLY 9 HA3 GLY 9 -2.297 -9.352 -23.828 86 HA PRO 10 HA PRO 10 -3.478 -11.557 -24.460 87 HB2 PRO 10 HB2 PRO 10 -5.177 -13.263 -25.733 88 HB3 PRO 10 HB3 PRO 10 -5.485 -12.610 -24.106 89 HG2 PRO 10 HG2 PRO 10 -6.537 -11.541 -26.748 90 HG3 PRO 10 HG3 PRO 10 -7.475 -11.949 -25.271 91 HD2 PRO 10 HD2 PRO 10 -6.672 -9.404 -25.783 92 HD3 PRO 10 HD3 PRO 10 -6.660 -10.049 -24.120 93 H SER 11 H SER 11 -3.943 -9.654 -27.212 94 HA SER 11 HA SER 11 -1.766 -11.129 -28.618 95 HB2 SER 11 HB2 SER 11 -4.192 -9.832 -29.916 96 HB3 SER 11 HB3 SER 11 -2.736 -10.354 -30.785 97 HG SER 11 HG SER 11 -4.489 -11.884 -30.760 98 H GLY 12 H GLY 12 -0.174 -9.817 -29.442 99 HA2 GLY 12 HA2 GLY 12 0.017 -7.517 -30.571 100 HA3 GLY 12 HA3 GLY 12 -0.304 -6.861 -28.967 101 H ALA 13 H ALA 13 1.229 -8.154 -27.222 102 HA ALA 13 HA ALA 13 3.997 -7.602 -28.069 103 HB1 ALA 13 HB1 ALA 13 3.134 -6.731 -25.942 104 HB2 ALA 13 HB2 ALA 13 2.823 -8.396 -25.375 105 HB3 ALA 13 HB3 ALA 13 4.486 -7.843 -25.674 106 H GLY 14 H GLY 14 2.012 -10.450 -27.601 107 HA2 GLY 14 HA2 GLY 14 3.643 -12.285 -28.886 108 HA3 GLY 14 HA3 GLY 14 4.141 -12.379 -27.197 109 H LYS 15 H LYS 15 3.319 -14.654 -27.670 110 HA LYS 15 HA LYS 15 0.399 -14.879 -27.009 111 HB2 LYS 15 HB2 LYS 15 2.162 -16.732 -28.659 112 HB3 LYS 15 HB3 LYS 15 0.496 -17.081 -28.246 113 HG2 LYS 15 HG2 LYS 15 1.204 -14.582 -29.836 114 HG3 LYS 15 HG3 LYS 15 1.086 -16.154 -30.593 115 HD2 LYS 15 HD2 LYS 15 -0.980 -14.887 -30.859 116 HD3 LYS 15 HD3 LYS 15 -1.248 -16.397 -29.984 117 HE2 LYS 15 HE2 LYS 15 -1.354 -15.238 -27.866 118 HE3 LYS 15 HE3 LYS 15 -0.904 -13.705 -28.615 119 HZ1 LYS 15 HZ1 LYS 15 -3.419 -15.194 -29.174 120 HZ2 LYS 15 HZ2 LYS 15 -3.258 -13.861 -28.224 121 HZ3 LYS 15 HZ3 LYS 15 -3.006 -13.728 -29.802 122 H THR 16 H THR 16 3.426 -15.542 -25.722 123 HA THR 16 HA THR 16 2.122 -17.144 -23.540 124 HB THR 16 HB THR 16 4.967 -17.664 -24.491 125 HG1 THR 16 HG1 THR 16 3.625 -18.394 -26.077 126 HG21 THR 16 HG21 THR 16 4.621 -18.363 -22.181 127 HG22 THR 16 HG22 THR 16 3.113 -19.207 -22.618 128 HG23 THR 16 HG23 THR 16 4.678 -19.792 -23.221 129 H THR 17 H THR 17 4.494 -14.693 -24.461 130 HA THR 17 HA THR 17 5.794 -14.178 -22.068 131 HB THR 17 HB THR 17 6.311 -13.104 -24.201 132 HG1 THR 17 HG1 THR 17 6.845 -11.149 -23.277 133 HG21 THR 17 HG21 THR 17 3.844 -12.439 -24.747 134 HG22 THR 17 HG22 THR 17 4.118 -11.064 -23.664 135 HG23 THR 17 HG23 THR 17 5.129 -11.267 -25.107 136 H LEU 18 H LEU 18 2.660 -12.624 -22.981 137 HA LEU 18 HA LEU 18 2.228 -11.234 -20.575 138 HB2 LEU 18 HB2 LEU 18 -0.057 -11.016 -21.353 139 HB3 LEU 18 HB3 LEU 18 1.065 -10.851 -22.686 140 HG LEU 18 HG LEU 18 0.516 -13.484 -23.021 141 HD11 LEU 18 HD11 LEU 18 -1.113 -13.605 -21.088 142 HD12 LEU 18 HD12 LEU 18 -2.090 -12.359 -21.888 143 HD13 LEU 18 HD13 LEU 18 -1.851 -13.949 -22.647 144 HD21 LEU 18 HD21 LEU 18 0.233 -11.737 -24.694 145 HD22 LEU 18 HD22 LEU 18 -1.180 -12.794 -24.653 146 HD23 LEU 18 HD23 LEU 18 -1.250 -11.183 -23.872 147 H ASP 19 H ASP 19 1.945 -14.554 -21.181 148 HA ASP 19 HA ASP 19 -0.062 -15.195 -19.104 149 HB2 ASP 19 HB2 ASP 19 0.872 -16.395 -21.478 150 HB3 ASP 19 HB3 ASP 19 1.504 -17.425 -20.213 151 H GLU 20 H GLU 20 3.337 -16.205 -19.773 152 HA GLU 20 HA GLU 20 3.895 -17.056 -17.148 153 HB2 GLU 20 HB2 GLU 20 6.172 -17.083 -17.718 154 HB3 GLU 20 HB3 GLU 20 5.257 -17.583 -19.145 155 HG2 GLU 20 HG2 GLU 20 5.624 -15.423 -20.206 156 HG3 GLU 20 HG3 GLU 20 6.405 -14.790 -18.759 157 H LEU 21 H LEU 21 3.880 -13.829 -18.546 158 HA LEU 21 HA LEU 21 5.131 -12.439 -16.331 159 HB2 LEU 21 HB2 LEU 21 3.431 -11.730 -18.695 160 HB3 LEU 21 HB3 LEU 21 3.410 -10.597 -17.384 161 HG LEU 21 HG LEU 21 5.053 -10.324 -19.370 162 HD11 LEU 21 HD11 LEU 21 5.991 -9.993 -16.484 163 HD12 LEU 21 HD12 LEU 21 6.579 -9.058 -17.880 164 HD13 LEU 21 HD13 LEU 21 4.900 -8.892 -17.335 165 HD21 LEU 21 HD21 LEU 21 6.869 -11.984 -17.569 166 HD22 LEU 21 HD22 LEU 21 6.295 -12.489 -19.174 167 HD23 LEU 21 HD23 LEU 21 7.338 -11.071 -19.016 168 H ALA 22 H ALA 22 1.577 -12.857 -17.067 169 HA ALA 22 HA ALA 22 0.760 -11.793 -14.599 170 HB1 ALA 22 HB1 ALA 22 -0.735 -12.122 -16.515 171 HB2 ALA 22 HB2 ALA 22 -0.613 -13.892 -16.337 172 HB3 ALA 22 HB3 ALA 22 -1.389 -12.918 -15.075 173 H ARG 23 H ARG 23 1.545 -15.161 -15.366 174 HA ARG 23 HA ARG 23 0.984 -16.359 -12.838 175 HB2 ARG 23 HB2 ARG 23 2.968 -16.994 -15.058 176 HB3 ARG 23 HB3 ARG 23 2.727 -18.073 -13.678 177 HG2 ARG 23 HG2 ARG 23 0.505 -18.595 -14.338 178 HG3 ARG 23 HG3 ARG 23 0.403 -17.218 -15.435 179 HD2 ARG 23 HD2 ARG 23 2.243 -18.255 -16.826 180 HD3 ARG 23 HD3 ARG 23 2.132 -19.706 -15.821 181 HE ARG 23 HE ARG 23 0.144 -18.581 -17.727 182 HH11 ARG 23 HH11 ARG 23 0.766 -21.279 -15.560 183 HH12 ARG 23 HH12 ARG 23 -0.513 -22.228 -16.288 184 HH21 ARG 23 HH21 ARG 23 -1.315 -19.752 -18.569 185 HH22 ARG 23 HH22 ARG 23 -1.700 -21.385 -18.030 186 H LYS 24 H LYS 24 4.237 -15.392 -14.045 187 HA LYS 24 HA LYS 24 5.592 -15.782 -11.573 188 HB2 LYS 24 HB2 LYS 24 6.271 -13.981 -13.926 189 HB3 LYS 24 HB3 LYS 24 7.359 -14.282 -12.578 190 HG2 LYS 24 HG2 LYS 24 7.385 -16.702 -13.058 191 HG3 LYS 24 HG3 LYS 24 6.293 -16.472 -14.415 192 HD2 LYS 24 HD2 LYS 24 9.149 -15.452 -14.150 193 HD3 LYS 24 HD3 LYS 24 8.553 -16.706 -15.239 194 HE2 LYS 24 HE2 LYS 24 7.092 -14.923 -16.329 195 HE3 LYS 24 HE3 LYS 24 7.921 -13.729 -15.334 196 HZ1 LYS 24 HZ1 LYS 24 10.045 -14.622 -16.403 197 HZ2 LYS 24 HZ2 LYS 24 9.084 -15.393 -17.482 198 HZ3 LYS 24 HZ3 LYS 24 9.052 -13.787 -17.395 199 H ALA 25 H ALA 25 4.275 -12.704 -12.912 200 HA ALA 25 HA ALA 25 5.004 -11.034 -10.685 201 HB1 ALA 25 HB1 ALA 25 3.348 -9.505 -11.556 202 HB2 ALA 25 HB2 ALA 25 4.272 -10.190 -12.911 203 HB3 ALA 25 HB3 ALA 25 2.631 -10.774 -12.576 204 H LYS 26 H LYS 26 1.628 -12.506 -11.224 205 HA LYS 26 HA LYS 26 0.889 -11.726 -8.646 206 HB2 LYS 26 HB2 LYS 26 -0.584 -12.613 -10.570 207 HB3 LYS 26 HB3 LYS 26 -0.170 -14.232 -9.986 208 HG2 LYS 26 HG2 LYS 26 -2.151 -13.812 -8.804 209 HG3 LYS 26 HG3 LYS 26 -0.957 -13.257 -7.636 210 HD2 LYS 26 HD2 LYS 26 -1.341 -10.896 -8.873 211 HD3 LYS 26 HD3 LYS 26 -2.889 -11.677 -9.299 212 HE2 LYS 26 HE2 LYS 26 -2.697 -12.367 -6.681 213 HE3 LYS 26 HE3 LYS 26 -1.679 -10.925 -6.658 214 HZ1 LYS 26 HZ1 LYS 26 -3.998 -10.431 -6.106 215 HZ2 LYS 26 HZ2 LYS 26 -3.539 -9.643 -7.455 216 HZ3 LYS 26 HZ3 LYS 26 -4.514 -10.955 -7.560 217 H GLU 27 H GLU 27 2.747 -14.673 -9.507 218 HA GLU 27 HA GLU 27 2.657 -15.872 -6.900 219 HB2 GLU 27 HB2 GLU 27 4.567 -16.050 -9.241 220 HB3 GLU 27 HB3 GLU 27 4.971 -16.790 -7.699 221 HG2 GLU 27 HG2 GLU 27 2.867 -18.092 -7.743 222 HG3 GLU 27 HG3 GLU 27 2.409 -17.360 -9.266 223 H GLU 28 H GLU 28 5.144 -13.573 -8.216 224 HA GLU 28 HA GLU 28 6.404 -13.376 -5.587 225 HB2 GLU 28 HB2 GLU 28 7.918 -11.799 -6.539 226 HB3 GLU 28 HB3 GLU 28 7.780 -13.199 -7.590 227 HG2 GLU 28 HG2 GLU 28 6.527 -11.951 -9.238 228 HG3 GLU 28 HG3 GLU 28 6.232 -10.637 -8.136 229 H VAL 29 H VAL 29 3.867 -11.637 -7.142 230 HA VAL 29 HA VAL 29 3.552 -9.792 -4.839 231 HB VAL 29 HB VAL 29 2.951 -7.944 -6.250 232 HG11 VAL 29 HG11 VAL 29 5.711 -8.920 -7.023 233 HG12 VAL 29 HG12 VAL 29 5.146 -7.250 -6.959 234 HG13 VAL 29 HG13 VAL 29 5.308 -8.170 -5.449 235 HG21 VAL 29 HG21 VAL 29 2.467 -9.378 -8.370 236 HG22 VAL 29 HG22 VAL 29 3.291 -7.808 -8.591 237 HG23 VAL 29 HG23 VAL 29 4.209 -9.330 -8.636 238 HA PRO 30 HA PRO 30 -0.347 -12.137 -5.581 239 HB2 PRO 30 HB2 PRO 30 -0.711 -12.863 -2.946 240 HB3 PRO 30 HB3 PRO 30 0.259 -13.806 -4.124 241 HG2 PRO 30 HG2 PRO 30 1.193 -11.795 -2.062 242 HG3 PRO 30 HG3 PRO 30 1.873 -13.422 -2.405 243 HD2 PRO 30 HD2 PRO 30 2.969 -11.148 -3.449 244 HD3 PRO 30 HD3 PRO 30 2.907 -12.657 -4.401 245 H ASP 31 H ASP 31 0.656 -9.400 -3.909 246 HA ASP 31 HA ASP 31 -1.926 -8.400 -2.898 247 HB2 ASP 31 HB2 ASP 31 0.314 -7.864 -1.925 248 HB3 ASP 31 HB3 ASP 31 0.776 -7.091 -3.429 249 H ALA 32 H ALA 32 0.053 -8.215 -5.784 250 HA ALA 32 HA ALA 32 -0.907 -5.731 -6.771 251 HB1 ALA 32 HB1 ALA 32 0.596 -7.965 -8.187 252 HB2 ALA 32 HB2 ALA 32 0.518 -6.282 -8.726 253 HB3 ALA 32 HB3 ALA 32 1.342 -6.681 -7.196 254 H GLU 33 H GLU 33 -1.706 -5.432 -9.068 255 HA GLU 33 HA GLU 33 -3.752 -7.529 -9.783 256 HB2 GLU 33 HB2 GLU 33 -4.116 -4.790 -10.863 257 HB3 GLU 33 HB3 GLU 33 -5.300 -5.971 -10.411 258 HG2 GLU 33 HG2 GLU 33 -3.696 -4.288 -8.408 259 HG3 GLU 33 HG3 GLU 33 -5.228 -3.821 -9.102 260 H ILE 34 H ILE 34 -2.960 -8.768 -11.365 261 HA ILE 34 HA ILE 34 -1.501 -7.451 -13.554 262 HB ILE 34 HB ILE 34 -1.703 -10.441 -13.285 263 HG12 ILE 34 HG12 ILE 34 -1.180 -9.879 -11.000 264 HG13 ILE 34 HG13 ILE 34 0.159 -10.598 -11.804 265 HG21 ILE 34 HG21 ILE 34 -0.039 -8.424 -14.696 266 HG22 ILE 34 HG22 ILE 34 0.838 -9.801 -14.021 267 HG23 ILE 34 HG23 ILE 34 -0.529 -10.043 -15.139 268 HD11 ILE 34 HD11 ILE 34 -0.082 -7.593 -11.266 269 HD12 ILE 34 HD12 ILE 34 0.810 -8.771 -10.290 270 HD13 ILE 34 HD13 ILE 34 1.318 -8.439 -11.962 271 H ARG 35 H ARG 35 -2.400 -7.041 -15.412 272 HA ARG 35 HA ARG 35 -4.487 -8.804 -16.543 273 HB2 ARG 35 HB2 ARG 35 -6.023 -6.900 -17.081 274 HB3 ARG 35 HB3 ARG 35 -6.022 -7.379 -15.422 275 HG2 ARG 35 HG2 ARG 35 -4.362 -5.024 -16.401 276 HG3 ARG 35 HG3 ARG 35 -6.064 -4.950 -15.898 277 HD2 ARG 35 HD2 ARG 35 -4.980 -6.390 -13.847 278 HD3 ARG 35 HD3 ARG 35 -3.642 -5.344 -14.223 279 HE ARG 35 HE ARG 35 -6.304 -4.838 -13.046 280 HH11 ARG 35 HH11 ARG 35 -3.922 -2.955 -14.774 281 HH12 ARG 35 HH12 ARG 35 -4.691 -1.453 -14.275 282 HH21 ARG 35 HH21 ARG 35 -7.068 -3.027 -12.342 283 HH22 ARG 35 HH22 ARG 35 -6.597 -1.567 -13.179 284 H THR 36 H THR 36 -5.272 -8.004 -18.717 285 HA THR 36 HA THR 36 -3.083 -6.676 -20.224 286 HB THR 36 HB THR 36 -3.131 -8.175 -22.018 287 HG1 THR 36 HG1 THR 36 -5.240 -9.579 -20.754 288 HG21 THR 36 HG21 THR 36 -2.048 -9.098 -19.799 289 HG22 THR 36 HG22 THR 36 -3.388 -10.246 -19.836 290 HG23 THR 36 HG23 THR 36 -2.257 -10.151 -21.212 291 H VAL 37 H VAL 37 -3.625 -5.770 -22.248 292 HA VAL 37 HA VAL 37 -6.480 -5.068 -22.778 293 HB VAL 37 HB VAL 37 -6.325 -2.919 -22.541 294 HG11 VAL 37 HG11 VAL 37 -3.950 -3.464 -20.792 295 HG12 VAL 37 HG12 VAL 37 -4.935 -1.980 -20.857 296 HG13 VAL 37 HG13 VAL 37 -5.703 -3.509 -20.366 297 HG21 VAL 37 HG21 VAL 37 -5.120 -2.261 -24.206 298 HG22 VAL 37 HG22 VAL 37 -4.275 -1.523 -22.821 299 HG23 VAL 37 HG23 VAL 37 -3.541 -2.921 -23.588 300 H THR 38 H THR 38 -6.945 -4.603 -24.760 301 HA THR 38 HA THR 38 -4.854 -5.162 -26.877 302 HB THR 38 HB THR 38 -6.328 -7.088 -26.336 303 HG1 THR 38 HG1 THR 38 -6.442 -6.018 -28.945 304 HG21 THR 38 HG21 THR 38 -8.515 -5.547 -27.780 305 HG22 THR 38 HG22 THR 38 -8.600 -7.171 -27.047 306 HG23 THR 38 HG23 THR 38 -8.422 -5.729 -26.018 307 H THR 39 H THR 39 -7.156 -2.949 -25.874 308 HA THR 39 HA THR 39 -7.076 -1.311 -28.320 309 HB THR 39 HB THR 39 -9.670 -1.120 -28.056 310 HG1 THR 39 HG1 THR 39 -10.529 -3.193 -27.355 311 HG21 THR 39 HG21 THR 39 -8.619 -2.155 -30.046 312 HG22 THR 39 HG22 THR 39 -8.669 -3.726 -29.214 313 HG23 THR 39 HG23 THR 39 -10.183 -2.872 -29.603 314 H LYS 40 H LYS 40 -8.172 0.743 -27.997 315 HA LYS 40 HA LYS 40 -7.209 2.173 -25.842 316 HB2 LYS 40 HB2 LYS 40 -8.450 4.009 -26.644 317 HB3 LYS 40 HB3 LYS 40 -8.013 3.066 -28.053 318 HG2 LYS 40 HG2 LYS 40 -10.733 3.252 -26.707 319 HG3 LYS 40 HG3 LYS 40 -10.242 4.030 -28.197 320 HD2 LYS 40 HD2 LYS 40 -10.073 1.826 -29.334 321 HD3 LYS 40 HD3 LYS 40 -10.569 1.019 -27.824 322 HE2 LYS 40 HE2 LYS 40 -12.670 2.451 -27.873 323 HE3 LYS 40 HE3 LYS 40 -12.195 2.951 -29.492 324 HZ1 LYS 40 HZ1 LYS 40 -13.684 1.100 -29.654 325 HZ2 LYS 40 HZ2 LYS 40 -12.221 0.531 -30.093 326 HZ3 LYS 40 HZ3 LYS 40 -12.851 0.180 -28.631 327 H GLU 41 H GLU 41 -10.190 0.440 -26.062 328 HA GLU 41 HA GLU 41 -11.537 1.621 -23.772 329 HB2 GLU 41 HB2 GLU 41 -13.217 -0.123 -24.185 330 HB3 GLU 41 HB3 GLU 41 -12.794 0.794 -25.640 331 HG2 GLU 41 HG2 GLU 41 -11.305 -1.030 -26.363 332 HG3 GLU 41 HG3 GLU 41 -11.827 -2.020 -25.008 333 H ASP 42 H ASP 42 -9.753 -1.435 -24.367 334 HA ASP 42 HA ASP 42 -10.135 -2.453 -21.670 335 HB2 ASP 42 HB2 ASP 42 -8.259 -3.142 -23.940 336 HB3 ASP 42 HB3 ASP 42 -8.143 -3.850 -22.368 337 H ALA 43 H ALA 43 -7.672 -0.480 -23.265 338 HA ALA 43 HA ALA 43 -5.954 -0.249 -20.943 339 HB1 ALA 43 HB1 ALA 43 -6.430 1.484 -23.390 340 HB2 ALA 43 HB2 ALA 43 -5.163 1.797 -22.160 341 HB3 ALA 43 HB3 ALA 43 -5.170 0.279 -23.086 342 H LYS 44 H LYS 44 -8.730 1.678 -22.058 343 HA LYS 44 HA LYS 44 -8.676 3.497 -19.851 344 HB2 LYS 44 HB2 LYS 44 -9.916 3.982 -21.878 345 HB3 LYS 44 HB3 LYS 44 -11.070 2.671 -21.549 346 HG2 LYS 44 HG2 LYS 44 -12.024 3.762 -19.746 347 HG3 LYS 44 HG3 LYS 44 -10.568 4.699 -19.379 348 HD2 LYS 44 HD2 LYS 44 -10.930 5.998 -21.483 349 HD3 LYS 44 HD3 LYS 44 -12.540 5.260 -21.614 350 HE2 LYS 44 HE2 LYS 44 -11.457 6.849 -19.241 351 HE3 LYS 44 HE3 LYS 44 -12.528 7.505 -20.474 352 HZ1 LYS 44 HZ1 LYS 44 -13.235 5.330 -18.570 353 HZ2 LYS 44 HZ2 LYS 44 -13.805 6.848 -18.544 354 HZ3 LYS 44 HZ3 LYS 44 -14.211 5.847 -19.769 355 H ARG 45 H ARG 45 -10.442 0.471 -20.237 356 HA ARG 45 HA ARG 45 -11.857 0.259 -17.798 357 HB2 ARG 45 HB2 ARG 45 -12.278 -1.060 -19.778 358 HB3 ARG 45 HB3 ARG 45 -10.628 -1.653 -19.780 359 HG2 ARG 45 HG2 ARG 45 -11.156 -3.018 -17.731 360 HG3 ARG 45 HG3 ARG 45 -12.857 -2.530 -17.935 361 HD2 ARG 45 HD2 ARG 45 -12.802 -3.378 -20.291 362 HD3 ARG 45 HD3 ARG 45 -11.109 -3.838 -20.078 363 HE ARG 45 HE ARG 45 -12.704 -5.102 -18.079 364 HH11 ARG 45 HH11 ARG 45 -11.971 -5.382 -21.534 365 HH12 ARG 45 HH12 ARG 45 -12.453 -7.049 -21.573 366 HH21 ARG 45 HH21 ARG 45 -13.232 -7.262 -18.226 367 HH22 ARG 45 HH22 ARG 45 -13.117 -8.089 -19.756 368 H VAL 46 H VAL 46 -8.747 -1.423 -18.546 369 HA VAL 46 HA VAL 46 -8.322 -2.291 -15.857 370 HB VAL 46 HB VAL 46 -6.159 -2.796 -16.403 371 HG11 VAL 46 HG11 VAL 46 -7.935 -4.276 -17.289 372 HG12 VAL 46 HG12 VAL 46 -7.843 -3.448 -18.859 373 HG13 VAL 46 HG13 VAL 46 -6.453 -4.349 -18.253 374 HG21 VAL 46 HG21 VAL 46 -5.001 -2.382 -18.439 375 HG22 VAL 46 HG22 VAL 46 -6.258 -1.180 -18.913 376 HG23 VAL 46 HG23 VAL 46 -5.248 -0.952 -17.454 377 H ALA 47 H ALA 47 -7.218 0.738 -17.471 378 HA ALA 47 HA ALA 47 -5.775 1.566 -15.128 379 HB1 ALA 47 HB1 ALA 47 -6.877 3.323 -17.329 380 HB2 ALA 47 HB2 ALA 47 -5.436 3.586 -16.275 381 HB3 ALA 47 HB3 ALA 47 -5.433 2.321 -17.519 382 H GLU 48 H GLU 48 -9.015 2.663 -16.330 383 HA GLU 48 HA GLU 48 -9.616 4.278 -14.086 384 HB2 GLU 48 HB2 GLU 48 -11.796 4.418 -14.893 385 HB3 GLU 48 HB3 GLU 48 -10.775 4.275 -16.326 386 HG2 GLU 48 HG2 GLU 48 -11.294 1.774 -16.296 387 HG3 GLU 48 HG3 GLU 48 -12.405 2.053 -15.004 388 H GLU 49 H GLU 49 -9.492 0.826 -14.314 389 HA GLU 49 HA GLU 49 -10.960 0.355 -11.786 390 HB2 GLU 49 HB2 GLU 49 -10.506 -1.329 -13.768 391 HB3 GLU 49 HB3 GLU 49 -8.935 -1.528 -13.055 392 HG2 GLU 49 HG2 GLU 49 -10.302 -3.298 -12.232 393 HG3 GLU 49 HG3 GLU 49 -9.981 -2.207 -10.895 394 H ALA 50 H ALA 50 -7.574 0.399 -12.850 395 HA ALA 50 HA ALA 50 -6.352 -0.108 -10.331 396 HB1 ALA 50 HB1 ALA 50 -5.021 -0.244 -12.333 397 HB2 ALA 50 HB2 ALA 50 -5.363 1.476 -12.725 398 HB3 ALA 50 HB3 ALA 50 -4.352 1.072 -11.340 399 H GLU 51 H GLU 51 -7.619 2.973 -11.612 400 HA GLU 51 HA GLU 51 -6.381 4.506 -9.439 401 HB2 GLU 51 HB2 GLU 51 -7.320 6.416 -10.417 402 HB3 GLU 51 HB3 GLU 51 -6.858 5.334 -11.730 403 HG2 GLU 51 HG2 GLU 51 -8.851 5.693 -12.610 404 HG3 GLU 51 HG3 GLU 51 -9.527 4.677 -11.343 405 H ARG 52 H ARG 52 -9.019 2.518 -9.550 406 HA ARG 52 HA ARG 52 -10.601 3.835 -7.403 407 HB2 ARG 52 HB2 ARG 52 -10.921 0.939 -8.273 408 HB3 ARG 52 HB3 ARG 52 -12.102 1.994 -7.509 409 HG2 ARG 52 HG2 ARG 52 -11.015 2.155 -10.323 410 HG3 ARG 52 HG3 ARG 52 -12.641 1.647 -9.865 411 HD2 ARG 52 HD2 ARG 52 -11.454 4.429 -9.574 412 HD3 ARG 52 HD3 ARG 52 -12.675 3.946 -10.759 413 HE ARG 52 HE ARG 52 -14.012 3.358 -8.535 414 HH11 ARG 52 HH11 ARG 52 -12.139 6.298 -9.178 415 HH12 ARG 52 HH12 ARG 52 -13.088 7.219 -8.039 416 HH21 ARG 52 HH21 ARG 52 -15.183 4.660 -7.154 417 HH22 ARG 52 HH22 ARG 52 -14.790 6.349 -7.003 418 H ARG 53 H ARG 53 -8.451 1.091 -7.725 419 HA ARG 53 HA ARG 53 -8.279 0.645 -4.782 420 HB2 ARG 53 HB2 ARG 53 -7.078 -1.396 -5.382 421 HB3 ARG 53 HB3 ARG 53 -8.646 -1.305 -6.168 422 HG2 ARG 53 HG2 ARG 53 -6.774 -0.151 -8.003 423 HG3 ARG 53 HG3 ARG 53 -5.957 -1.549 -7.344 424 HD2 ARG 53 HD2 ARG 53 -8.744 -1.624 -8.551 425 HD3 ARG 53 HD3 ARG 53 -7.259 -2.075 -9.398 426 HE ARG 53 HE ARG 53 -7.005 -3.756 -7.383 427 HH11 ARG 53 HH11 ARG 53 -10.171 -2.976 -8.695 428 HH12 ARG 53 HH12 ARG 53 -10.723 -4.620 -8.487 429 HH21 ARG 53 HH21 ARG 53 -7.695 -5.829 -7.430 430 HH22 ARG 53 HH22 ARG 53 -9.377 -6.178 -7.712 431 H ASN 54 H ASN 54 -6.697 2.424 -7.086 432 HA ASN 54 HA ASN 54 -5.023 3.930 -6.909 433 HB2 ASN 54 HB2 ASN 54 -5.660 3.281 -4.082 434 HB3 ASN 54 HB3 ASN 54 -4.204 4.224 -4.361 435 HD21 ASN 54 HD21 ASN 54 -7.747 4.210 -5.055 436 HD22 ASN 54 HD22 ASN 54 -7.841 5.955 -5.213 437 H ALA 55 H ALA 55 -4.109 2.132 -8.140 438 HA ALA 55 HA ALA 55 -1.981 0.511 -7.177 439 HB1 ALA 55 HB1 ALA 55 -2.423 1.639 -9.951 440 HB2 ALA 55 HB2 ALA 55 -1.401 0.259 -9.487 441 HB3 ALA 55 HB3 ALA 55 -3.186 0.199 -9.241 442 H ASP 56 H ASP 56 -0.613 1.727 -5.810 443 HA ASP 56 HA ASP 56 0.559 4.163 -6.321 444 HB2 ASP 56 HB2 ASP 56 0.809 2.227 -4.347 445 HB3 ASP 56 HB3 ASP 56 2.428 2.308 -4.996 446 H ILE 57 H ILE 57 1.633 1.019 -7.525 447 HA ILE 57 HA ILE 57 3.452 2.415 -9.435 448 HB ILE 57 HB ILE 57 4.175 -0.364 -8.517 449 HG12 ILE 57 HG12 ILE 57 4.778 2.108 -6.866 450 HG13 ILE 57 HG13 ILE 57 3.874 0.677 -6.354 451 HG21 ILE 57 HG21 ILE 57 5.285 0.903 -10.429 452 HG22 ILE 57 HG22 ILE 57 5.854 2.086 -9.240 453 HG23 ILE 57 HG23 ILE 57 6.407 0.401 -9.176 454 HD11 ILE 57 HD11 ILE 57 6.050 0.594 -5.363 455 HD12 ILE 57 HD12 ILE 57 5.917 -0.705 -6.571 456 HD13 ILE 57 HD13 ILE 57 6.842 0.769 -6.941 457 H VAL 58 H VAL 58 2.994 2.034 -11.479 458 HA VAL 58 HA VAL 58 1.488 -0.423 -12.293 459 HB VAL 58 HB VAL 58 0.704 1.306 -14.176 460 HG11 VAL 58 HG11 VAL 58 -0.538 0.986 -11.451 461 HG12 VAL 58 HG12 VAL 58 -1.358 1.677 -12.873 462 HG13 VAL 58 HG13 VAL 58 -0.814 -0.003 -12.929 463 HG21 VAL 58 HG21 VAL 58 1.935 3.220 -12.972 464 HG22 VAL 58 HG22 VAL 58 0.217 3.468 -13.329 465 HG23 VAL 58 HG23 VAL 58 0.780 3.061 -11.667 466 H VAL 59 H VAL 59 3.099 -1.646 -12.917 467 HA VAL 59 HA VAL 59 5.125 -0.808 -14.885 468 HB VAL 59 HB VAL 59 4.438 -3.520 -13.684 469 HG11 VAL 59 HG11 VAL 59 6.825 -2.659 -15.377 470 HG12 VAL 59 HG12 VAL 59 6.680 -4.222 -14.542 471 HG13 VAL 59 HG13 VAL 59 5.577 -3.830 -15.855 472 HG21 VAL 59 HG21 VAL 59 6.761 -1.659 -13.058 473 HG22 VAL 59 HG22 VAL 59 5.346 -1.936 -12.006 474 HG23 VAL 59 HG23 VAL 59 6.474 -3.256 -12.353 475 H ILE 60 H ILE 60 4.261 -0.360 -16.866 476 HA ILE 60 HA ILE 60 2.205 -2.108 -18.053 477 HB ILE 60 HB ILE 60 3.728 0.109 -19.389 478 HG12 ILE 60 HG12 ILE 60 2.717 1.087 -17.268 479 HG13 ILE 60 HG13 ILE 60 2.274 1.844 -18.759 480 HG21 ILE 60 HG21 ILE 60 1.029 -1.160 -19.917 481 HG22 ILE 60 HG22 ILE 60 1.605 0.318 -20.708 482 HG23 ILE 60 HG23 ILE 60 2.484 -1.205 -20.932 483 HD11 ILE 60 HD11 ILE 60 0.102 0.661 -18.732 484 HD12 ILE 60 HD12 ILE 60 0.564 -0.095 -17.171 485 HD13 ILE 60 HD13 ILE 60 0.371 1.674 -17.311 486 H VAL 61 H VAL 61 2.694 -3.604 -19.668 487 HA VAL 61 HA VAL 61 5.535 -4.030 -20.487 488 HB VAL 61 HB VAL 61 3.444 -6.168 -20.161 489 HG11 VAL 61 HG11 VAL 61 6.480 -6.280 -20.362 490 HG12 VAL 61 HG12 VAL 61 5.397 -7.670 -20.148 491 HG13 VAL 61 HG13 VAL 61 5.321 -6.731 -21.638 492 HG21 VAL 61 HG21 VAL 61 3.824 -5.209 -17.913 493 HG22 VAL 61 HG22 VAL 61 4.549 -6.811 -18.049 494 HG23 VAL 61 HG23 VAL 61 5.583 -5.377 -18.139 495 H GLY 62 H GLY 62 5.861 -3.856 -22.611 496 HA2 GLY 62 HA2 GLY 62 3.943 -4.774 -24.615 497 HA3 GLY 62 HA3 GLY 62 4.143 -3.016 -24.544 498 HA PRO 63 HA PRO 63 7.397 -5.135 -27.182 499 HB2 PRO 63 HB2 PRO 63 6.806 -4.041 -29.625 500 HB3 PRO 63 HB3 PRO 63 6.021 -5.510 -28.969 501 HG2 PRO 63 HG2 PRO 63 4.937 -2.674 -29.003 502 HG3 PRO 63 HG3 PRO 63 4.080 -4.209 -29.339 503 HD2 PRO 63 HD2 PRO 63 3.982 -2.890 -26.910 504 HD3 PRO 63 HD3 PRO 63 3.838 -4.659 -27.065 505 H SER 64 H SER 64 6.570 -1.959 -28.519 506 HA SER 64 HA SER 64 8.693 -0.372 -27.381 507 HB2 SER 64 HB2 SER 64 9.932 -0.080 -29.479 508 HB3 SER 64 HB3 SER 64 9.952 -1.779 -28.959 509 HG SER 64 HG SER 64 9.524 -1.640 -31.167 510 H GLY 65 H GLY 65 8.514 1.893 -28.260 511 HA2 GLY 65 HA2 GLY 65 5.733 2.576 -28.758 512 HA3 GLY 65 HA3 GLY 65 7.079 3.688 -28.578 513 H SER 66 H SER 66 4.846 2.469 -30.785 514 HA SER 66 HA SER 66 5.933 4.263 -32.817 515 HB2 SER 66 HB2 SER 66 5.993 2.725 -34.679 516 HB3 SER 66 HB3 SER 66 7.157 2.227 -33.447 517 HG SER 66 HG SER 66 5.555 0.657 -34.511 518 H GLY 67 H GLY 67 3.342 1.974 -32.013 519 HA2 GLY 67 HA2 GLY 67 1.208 3.748 -32.526 520 HA3 GLY 67 HA3 GLY 67 1.473 2.884 -34.040 521 H LYS 68 H LYS 68 1.969 0.304 -33.298 522 HA LYS 68 HA LYS 68 -0.476 -0.837 -32.356 523 HB2 LYS 68 HB2 LYS 68 0.551 -2.894 -32.496 524 HB3 LYS 68 HB3 LYS 68 1.421 -1.960 -33.692 525 HG2 LYS 68 HG2 LYS 68 2.347 -2.699 -30.883 526 HG3 LYS 68 HG3 LYS 68 2.889 -3.416 -32.403 527 HD2 LYS 68 HD2 LYS 68 3.596 -0.840 -32.879 528 HD3 LYS 68 HD3 LYS 68 3.664 -0.821 -31.109 529 HE2 LYS 68 HE2 LYS 68 5.143 -2.878 -31.226 530 HE3 LYS 68 HE3 LYS 68 5.191 -2.677 -32.976 531 HZ1 LYS 68 HZ1 LYS 68 7.091 -1.582 -31.906 532 HZ2 LYS 68 HZ2 LYS 68 6.130 -0.449 -32.611 533 HZ3 LYS 68 HZ3 LYS 68 6.117 -0.671 -31.007 534 H SER 69 H SER 69 1.993 0.644 -30.627 535 HA SER 69 HA SER 69 1.686 -0.616 -28.037 536 HB2 SER 69 HB2 SER 69 3.440 1.203 -27.527 537 HB3 SER 69 HB3 SER 69 3.855 0.000 -28.757 538 HG SER 69 HG SER 69 3.067 2.693 -29.148 539 H THR 70 H THR 70 -0.104 1.837 -29.600 540 HA THR 70 HA THR 70 -0.142 3.982 -27.819 541 HB THR 70 HB THR 70 -2.734 3.049 -29.012 542 HG1 THR 70 HG1 THR 70 -1.192 3.068 -30.726 543 HG21 THR 70 HG21 THR 70 -3.115 5.476 -29.340 544 HG22 THR 70 HG22 THR 70 -2.850 5.100 -27.630 545 HG23 THR 70 HG23 THR 70 -1.545 5.827 -28.594 546 H LEU 71 H LEU 71 -2.025 0.959 -27.442 547 HA LEU 71 HA LEU 71 -3.678 1.681 -25.321 548 HB2 LEU 71 HB2 LEU 71 -2.327 -1.016 -25.597 549 HB3 LEU 71 HB3 LEU 71 -3.898 -0.611 -24.918 550 HG LEU 71 HG LEU 71 -4.590 -1.553 -26.812 551 HD11 LEU 71 HD11 LEU 71 -4.115 1.186 -28.086 552 HD12 LEU 71 HD12 LEU 71 -5.366 0.016 -28.457 553 HD13 LEU 71 HD13 LEU 71 -5.369 0.853 -26.882 554 HD21 LEU 71 HD21 LEU 71 -2.368 -2.067 -27.716 555 HD22 LEU 71 HD22 LEU 71 -3.535 -1.615 -28.962 556 HD23 LEU 71 HD23 LEU 71 -2.292 -0.461 -28.474 557 H ALA 72 H ALA 72 -0.265 0.841 -25.202 558 HA ALA 72 HA ALA 72 -0.003 0.583 -22.341 559 HB1 ALA 72 HB1 ALA 72 1.625 -0.371 -23.983 560 HB2 ALA 72 HB2 ALA 72 2.093 1.268 -24.467 561 HB3 ALA 72 HB3 ALA 72 2.418 0.705 -22.824 562 H LYS 73 H LYS 73 0.578 3.363 -24.602 563 HA LYS 73 HA LYS 73 1.101 5.168 -22.398 564 HB2 LYS 73 HB2 LYS 73 1.126 6.987 -23.933 565 HB3 LYS 73 HB3 LYS 73 2.136 5.676 -24.486 566 HG2 LYS 73 HG2 LYS 73 0.927 5.300 -26.364 567 HG3 LYS 73 HG3 LYS 73 -0.633 5.641 -25.582 568 HD2 LYS 73 HD2 LYS 73 1.247 7.904 -26.231 569 HD3 LYS 73 HD3 LYS 73 0.125 7.221 -27.424 570 HE2 LYS 73 HE2 LYS 73 -1.783 7.564 -25.880 571 HE3 LYS 73 HE3 LYS 73 -0.717 8.212 -24.661 572 HZ1 LYS 73 HZ1 LYS 73 -1.215 9.439 -27.320 573 HZ2 LYS 73 HZ2 LYS 73 -1.758 10.003 -25.884 574 HZ3 LYS 73 HZ3 LYS 73 -0.168 10.038 -26.229 575 H ILE 74 H ILE 74 -1.885 4.225 -24.027 576 HA ILE 74 HA ILE 74 -3.532 6.296 -22.946 577 HB ILE 74 HB ILE 74 -4.178 3.450 -23.780 578 HG12 ILE 74 HG12 ILE 74 -4.937 6.091 -25.087 579 HG13 ILE 74 HG13 ILE 74 -3.455 5.253 -25.489 580 HG21 ILE 74 HG21 ILE 74 -6.588 4.095 -23.692 581 HG22 ILE 74 HG22 ILE 74 -5.876 4.116 -22.104 582 HG23 ILE 74 HG23 ILE 74 -6.132 5.652 -22.953 583 HD11 ILE 74 HD11 ILE 74 -4.829 3.249 -26.219 584 HD12 ILE 74 HD12 ILE 74 -6.292 4.215 -25.896 585 HD13 ILE 74 HD13 ILE 74 -5.152 4.717 -27.145 586 H VAL 75 H VAL 75 -2.814 2.964 -21.620 587 HA VAL 75 HA VAL 75 -4.113 3.403 -19.112 588 HB VAL 75 HB VAL 75 -1.676 1.711 -19.814 589 HG11 VAL 75 HG11 VAL 75 -1.848 2.079 -17.299 590 HG12 VAL 75 HG12 VAL 75 -3.499 1.425 -17.356 591 HG13 VAL 75 HG13 VAL 75 -2.118 0.407 -17.790 592 HG21 VAL 75 HG21 VAL 75 -3.243 -0.199 -19.751 593 HG22 VAL 75 HG22 VAL 75 -4.586 0.944 -19.529 594 HG23 VAL 75 HG23 VAL 75 -3.591 0.931 -21.032 595 H LYS 76 H LYS 76 -0.690 3.987 -20.037 596 HA LYS 76 HA LYS 76 0.127 5.088 -17.541 597 HB2 LYS 76 HB2 LYS 76 1.721 4.374 -19.187 598 HB3 LYS 76 HB3 LYS 76 1.164 5.582 -20.343 599 HG2 LYS 76 HG2 LYS 76 2.265 7.324 -19.338 600 HG3 LYS 76 HG3 LYS 76 2.079 6.678 -17.722 601 HD2 LYS 76 HD2 LYS 76 4.447 6.752 -18.448 602 HD3 LYS 76 HD3 LYS 76 3.887 5.154 -17.970 603 HE2 LYS 76 HE2 LYS 76 5.260 4.810 -19.810 604 HE3 LYS 76 HE3 LYS 76 3.618 4.497 -20.330 605 HZ1 LYS 76 HZ1 LYS 76 3.655 6.717 -21.411 606 HZ2 LYS 76 HZ2 LYS 76 5.200 6.951 -20.917 607 HZ3 LYS 76 HZ3 LYS 76 4.844 5.731 -21.940 608 H LYS 77 H LYS 77 -1.651 6.755 -20.156 609 HA LYS 77 HA LYS 77 -1.395 9.389 -18.973 610 HB2 LYS 77 HB2 LYS 77 -1.702 9.233 -21.319 611 HB3 LYS 77 HB3 LYS 77 -2.937 7.984 -21.171 612 HG2 LYS 77 HG2 LYS 77 -3.992 9.875 -21.875 613 HG3 LYS 77 HG3 LYS 77 -4.468 9.499 -20.208 614 HD2 LYS 77 HD2 LYS 77 -2.888 11.323 -19.401 615 HD3 LYS 77 HD3 LYS 77 -2.526 11.728 -21.078 616 HE2 LYS 77 HE2 LYS 77 -5.298 11.839 -19.819 617 HE3 LYS 77 HE3 LYS 77 -4.214 13.213 -19.933 618 HZ1 LYS 77 HZ1 LYS 77 -5.790 13.196 -21.762 619 HZ2 LYS 77 HZ2 LYS 77 -4.284 13.005 -22.352 620 HZ3 LYS 77 HZ3 LYS 77 -5.310 11.732 -22.269 621 H ILE 78 H ILE 78 -3.833 6.741 -18.764 622 HA ILE 78 HA ILE 78 -5.627 8.315 -17.138 623 HB ILE 78 HB ILE 78 -5.378 5.315 -17.406 624 HG12 ILE 78 HG12 ILE 78 -6.538 7.383 -19.112 625 HG13 ILE 78 HG13 ILE 78 -6.162 5.711 -19.419 626 HG21 ILE 78 HG21 ILE 78 -7.517 7.005 -16.030 627 HG22 ILE 78 HG22 ILE 78 -7.671 5.265 -16.369 628 HG23 ILE 78 HG23 ILE 78 -6.441 5.807 -15.264 629 HD11 ILE 78 HD11 ILE 78 -8.732 6.758 -18.206 630 HD12 ILE 78 HD12 ILE 78 -8.503 6.093 -19.837 631 HD13 ILE 78 HD13 ILE 78 -8.350 5.037 -18.413 632 H ILE 79 H ILE 79 -2.865 6.174 -16.234 633 HA ILE 79 HA ILE 79 -3.520 6.629 -13.408 634 HB ILE 79 HB ILE 79 -1.254 4.967 -14.526 635 HG12 ILE 79 HG12 ILE 79 -3.373 4.068 -15.349 636 HG13 ILE 79 HG13 ILE 79 -2.694 3.026 -14.120 637 HG21 ILE 79 HG21 ILE 79 -2.465 5.424 -11.778 638 HG22 ILE 79 HG22 ILE 79 -1.723 3.872 -12.146 639 HG23 ILE 79 HG23 ILE 79 -0.761 5.364 -12.293 640 HD11 ILE 79 HD11 ILE 79 -4.290 3.880 -12.430 641 HD12 ILE 79 HD12 ILE 79 -4.974 5.005 -13.627 642 HD13 ILE 79 HD13 ILE 79 -5.105 3.261 -13.879 643 H ALA 80 H ALA 80 -1.165 7.983 -15.703 644 HA ALA 80 HA ALA 80 0.576 9.028 -13.822 645 HB1 ALA 80 HB1 ALA 80 -0.340 10.239 -16.463 646 HB2 ALA 80 HB2 ALA 80 1.048 10.818 -15.523 647 HB3 ALA 80 HB3 ALA 80 1.066 9.173 -16.176 648 H ARG 81 H ARG 81 -2.594 10.244 -14.851 649 HA ARG 81 HA ARG 81 -2.534 12.636 -13.142 650 HB2 ARG 81 HB2 ARG 81 -4.795 13.040 -14.010 651 HB3 ARG 81 HB3 ARG 81 -3.641 12.730 -15.298 652 HG2 ARG 81 HG2 ARG 81 -5.370 11.420 -16.045 653 HG3 ARG 81 HG3 ARG 81 -4.454 10.244 -15.087 654 HD2 ARG 81 HD2 ARG 81 -6.824 9.953 -14.792 655 HD3 ARG 81 HD3 ARG 81 -6.043 10.372 -13.280 656 HE ARG 81 HE ARG 81 -7.055 12.745 -14.578 657 HH11 ARG 81 HH11 ARG 81 -8.269 9.979 -12.747 658 HH12 ARG 81 HH12 ARG 81 -9.621 10.879 -12.134 659 HH21 ARG 81 HH21 ARG 81 -8.813 13.824 -13.729 660 HH22 ARG 81 HH22 ARG 81 -9.918 12.980 -12.676 661 H ALA 82 H ALA 82 -3.587 9.316 -12.844 662 HA ALA 82 HA ALA 82 -5.533 9.691 -10.800 663 HB1 ALA 82 HB1 ALA 82 -3.717 7.293 -11.315 664 HB2 ALA 82 HB2 ALA 82 -5.216 7.277 -10.391 665 HB3 ALA 82 HB3 ALA 82 -5.276 7.601 -12.137 666 H GLY 83 H GLY 83 -2.083 9.707 -10.746 667 HA2 GLY 83 HA2 GLY 83 -1.104 11.020 -8.897 668 HA3 GLY 83 HA3 GLY 83 -2.123 10.098 -7.771 669 H ALA 84 H ALA 84 -0.481 8.345 -10.337 670 HA ALA 84 HA ALA 84 1.481 7.230 -8.361 671 HB1 ALA 84 HB1 ALA 84 0.955 5.049 -9.585 672 HB2 ALA 84 HB2 ALA 84 -0.318 5.696 -8.512 673 HB3 ALA 84 HB3 ALA 84 -0.441 5.890 -10.267 674 H LYS 85 H LYS 85 3.083 5.774 -9.515 675 HA LYS 85 HA LYS 85 4.165 7.154 -11.925 676 HB2 LYS 85 HB2 LYS 85 6.313 6.128 -11.362 677 HB3 LYS 85 HB3 LYS 85 5.704 7.180 -10.069 678 HG2 LYS 85 HG2 LYS 85 4.883 5.165 -8.847 679 HG3 LYS 85 HG3 LYS 85 5.425 4.140 -10.129 680 HD2 LYS 85 HD2 LYS 85 6.964 4.245 -8.115 681 HD3 LYS 85 HD3 LYS 85 7.710 4.496 -9.677 682 HE2 LYS 85 HE2 LYS 85 8.753 5.989 -8.162 683 HE3 LYS 85 HE3 LYS 85 7.843 6.927 -9.326 684 HZ1 LYS 85 HZ1 LYS 85 6.175 7.348 -7.639 685 HZ2 LYS 85 HZ2 LYS 85 6.910 6.348 -6.561 686 HZ3 LYS 85 HZ3 LYS 85 7.651 7.696 -7.036 687 H THR 86 H THR 86 4.257 6.225 -13.695 688 HA THR 86 HA THR 86 3.667 3.325 -14.008 689 HB THR 86 HB THR 86 2.888 5.378 -16.108 690 HG1 THR 86 HG1 THR 86 1.987 6.387 -14.398 691 HG21 THR 86 HG21 THR 86 0.686 3.908 -15.984 692 HG22 THR 86 HG22 THR 86 2.096 3.518 -16.986 693 HG23 THR 86 HG23 THR 86 1.846 2.704 -15.425 694 H ILE 87 H ILE 87 4.782 2.168 -15.430 695 HA ILE 87 HA ILE 87 6.869 3.564 -17.063 696 HB ILE 87 HB ILE 87 8.497 1.777 -16.320 697 HG12 ILE 87 HG12 ILE 87 6.870 0.244 -15.345 698 HG13 ILE 87 HG13 ILE 87 8.330 0.561 -14.397 699 HG21 ILE 87 HG21 ILE 87 7.653 3.862 -14.306 700 HG22 ILE 87 HG22 ILE 87 9.217 2.996 -14.352 701 HG23 ILE 87 HG23 ILE 87 8.754 4.070 -15.681 702 HD11 ILE 87 HD11 ILE 87 6.822 0.647 -12.696 703 HD12 ILE 87 HD12 ILE 87 6.555 2.334 -13.262 704 HD13 ILE 87 HD13 ILE 87 5.491 1.032 -13.793 705 H GLU 88 H GLU 88 7.979 2.087 -18.552 706 HA GLU 88 HA GLU 88 6.087 0.062 -19.700 707 HB2 GLU 88 HB2 GLU 88 7.441 2.359 -21.136 708 HB3 GLU 88 HB3 GLU 88 6.939 0.895 -21.983 709 HG2 GLU 88 HG2 GLU 88 4.616 1.230 -21.237 710 HG3 GLU 88 HG3 GLU 88 5.087 2.717 -20.428 711 H VAL 89 H VAL 89 7.239 -1.688 -18.997 712 HA VAL 89 HA VAL 89 10.132 -1.846 -19.440 713 HB VAL 89 HB VAL 89 10.171 -3.774 -18.137 714 HG11 VAL 89 HG11 VAL 89 10.092 -1.630 -16.931 715 HG12 VAL 89 HG12 VAL 89 8.321 -1.649 -16.916 716 HG13 VAL 89 HG13 VAL 89 9.221 -2.852 -15.990 717 HG21 VAL 89 HG21 VAL 89 8.149 -4.649 -16.919 718 HG22 VAL 89 HG22 VAL 89 7.124 -3.681 -18.003 719 HG23 VAL 89 HG23 VAL 89 8.123 -5.013 -18.636 720 H THR 90 H THR 90 10.195 -1.706 -21.613 721 HA THR 90 HA THR 90 8.780 -3.362 -23.463 722 HB THR 90 HB THR 90 10.649 -2.468 -25.068 723 HG1 THR 90 HG1 THR 90 11.615 -0.602 -24.225 724 HG21 THR 90 HG21 THR 90 8.374 -1.588 -25.020 725 HG22 THR 90 HG22 THR 90 8.764 -0.557 -23.629 726 HG23 THR 90 HG23 THR 90 9.553 -0.286 -25.207 727 H THR 91 H THR 91 9.902 -4.652 -25.173 728 HA THR 91 HA THR 91 11.161 -6.954 -23.959 729 HB THR 91 HB THR 91 11.223 -7.858 -26.268 730 HG1 THR 91 HG1 THR 91 10.319 -6.621 -27.895 731 HG21 THR 91 HG21 THR 91 8.559 -6.554 -25.552 732 HG22 THR 91 HG22 THR 91 8.799 -7.970 -26.598 733 HG23 THR 91 HG23 THR 91 9.174 -8.070 -24.868 734 H GLU 92 H GLU 92 12.564 -4.105 -25.257 735 HA GLU 92 HA GLU 92 15.116 -5.182 -26.132 736 HB2 GLU 92 HB2 GLU 92 13.853 -2.518 -25.728 737 HB3 GLU 92 HB3 GLU 92 15.567 -2.513 -25.401 738 HG2 GLU 92 HG2 GLU 92 14.379 -3.636 -27.961 739 HG3 GLU 92 HG3 GLU 92 14.910 -1.970 -27.766 740 H GLU 93 H GLU 93 17.195 -4.412 -25.097 741 HA GLU 93 HA GLU 93 17.583 -5.461 -22.468 742 HB2 GLU 93 HB2 GLU 93 19.300 -5.199 -24.275 743 HB3 GLU 93 HB3 GLU 93 19.312 -3.460 -23.966 744 HG2 GLU 93 HG2 GLU 93 20.125 -3.860 -21.671 745 HG3 GLU 93 HG3 GLU 93 19.978 -5.602 -21.900 746 H GLU 94 H GLU 94 16.530 -2.320 -23.499 747 HA GLU 94 HA GLU 94 16.969 -0.754 -21.146 748 HB2 GLU 94 HB2 GLU 94 14.811 -0.602 -23.289 749 HB3 GLU 94 HB3 GLU 94 15.098 0.633 -22.057 750 HG2 GLU 94 HG2 GLU 94 17.456 0.870 -22.895 751 HG3 GLU 94 HG3 GLU 94 17.078 -0.243 -24.202 752 H LEU 95 H LEU 95 14.906 -3.484 -21.472 753 HA LEU 95 HA LEU 95 12.786 -3.082 -19.734 754 HB2 LEU 95 HB2 LEU 95 13.399 -5.132 -21.000 755 HB3 LEU 95 HB3 LEU 95 14.657 -5.495 -19.838 756 HG LEU 95 HG LEU 95 11.731 -5.213 -19.032 757 HD11 LEU 95 HD11 LEU 95 13.187 -7.728 -19.961 758 HD12 LEU 95 HD12 LEU 95 11.552 -7.674 -19.263 759 HD13 LEU 95 HD13 LEU 95 11.874 -6.902 -20.822 760 HD21 LEU 95 HD21 LEU 95 13.313 -5.320 -17.110 761 HD22 LEU 95 HD22 LEU 95 12.391 -6.812 -17.226 762 HD23 LEU 95 HD23 LEU 95 14.068 -6.770 -17.810 763 H ARG 96 H ARG 96 16.159 -3.845 -18.787 764 HA ARG 96 HA ARG 96 15.752 -3.890 -15.980 765 HB2 ARG 96 HB2 ARG 96 17.754 -4.770 -17.147 766 HB3 ARG 96 HB3 ARG 96 18.230 -3.138 -17.596 767 HG2 ARG 96 HG2 ARG 96 19.571 -3.925 -15.740 768 HG3 ARG 96 HG3 ARG 96 18.586 -2.565 -15.205 769 HD2 ARG 96 HD2 ARG 96 17.004 -4.129 -14.115 770 HD3 ARG 96 HD3 ARG 96 17.927 -5.505 -14.754 771 HE ARG 96 HE ARG 96 19.607 -3.729 -13.210 772 HH11 ARG 96 HH11 ARG 96 17.253 -6.301 -12.764 773 HH12 ARG 96 HH12 ARG 96 17.895 -6.731 -11.192 774 HH21 ARG 96 HH21 ARG 96 20.372 -4.334 -11.220 775 HH22 ARG 96 HH22 ARG 96 19.619 -5.648 -10.351 776 H LYS 97 H LYS 97 16.612 -1.152 -18.057 777 HA LYS 97 HA LYS 97 16.832 0.831 -15.944 778 HB2 LYS 97 HB2 LYS 97 16.452 1.017 -18.961 779 HB3 LYS 97 HB3 LYS 97 16.395 2.431 -17.927 780 HG2 LYS 97 HG2 LYS 97 18.566 2.301 -18.853 781 HG3 LYS 97 HG3 LYS 97 18.676 2.008 -17.119 782 HD2 LYS 97 HD2 LYS 97 18.984 -0.404 -17.517 783 HD3 LYS 97 HD3 LYS 97 18.737 -0.161 -19.266 784 HE2 LYS 97 HE2 LYS 97 20.724 1.345 -19.299 785 HE3 LYS 97 HE3 LYS 97 20.965 1.060 -17.578 786 HZ1 LYS 97 HZ1 LYS 97 21.342 -1.291 -18.083 787 HZ2 LYS 97 HZ2 LYS 97 21.089 -1.035 -19.677 788 HZ3 LYS 97 HZ3 LYS 97 22.379 -0.374 -18.940 789 H ALA 98 H ALA 98 14.135 0.021 -18.191 790 HA ALA 98 HA ALA 98 12.266 1.888 -17.198 791 HB1 ALA 98 HB1 ALA 98 11.989 0.583 -19.277 792 HB2 ALA 98 HB2 ALA 98 11.830 -0.908 -18.300 793 HB3 ALA 98 HB3 ALA 98 10.597 0.355 -18.172 794 H VAL 99 H VAL 99 12.863 -1.480 -16.101 795 HA VAL 99 HA VAL 99 10.820 -1.511 -14.115 796 HB VAL 99 HB VAL 99 13.442 -3.075 -14.338 797 HG11 VAL 99 HG11 VAL 99 12.793 -3.108 -11.966 798 HG12 VAL 99 HG12 VAL 99 11.135 -3.580 -12.427 799 HG13 VAL 99 HG13 VAL 99 12.498 -4.682 -12.702 800 HG21 VAL 99 HG21 VAL 99 10.588 -4.065 -14.724 801 HG22 VAL 99 HG22 VAL 99 11.634 -3.553 -16.069 802 HG23 VAL 99 HG23 VAL 99 12.085 -4.937 -15.072 803 H ALA 100 H ALA 100 14.311 -0.783 -13.934 804 HA ALA 100 HA ALA 100 14.434 -0.202 -11.172 805 HB1 ALA 100 HB1 ALA 100 16.115 0.925 -13.447 806 HB2 ALA 100 HB2 ALA 100 16.535 0.955 -11.721 807 HB3 ALA 100 HB3 ALA 100 16.412 -0.591 -12.573 808 H LYS 101 H LYS 101 13.622 2.002 -13.882 809 HA LYS 101 HA LYS 101 13.515 4.444 -12.543 810 HB2 LYS 101 HB2 LYS 101 12.128 3.277 -14.978 811 HB3 LYS 101 HB3 LYS 101 11.739 4.910 -14.458 812 HG2 LYS 101 HG2 LYS 101 14.577 4.011 -15.061 813 HG3 LYS 101 HG3 LYS 101 13.504 4.721 -16.266 814 HD2 LYS 101 HD2 LYS 101 14.319 6.066 -13.663 815 HD3 LYS 101 HD3 LYS 101 15.135 6.299 -15.218 816 HE2 LYS 101 HE2 LYS 101 12.980 7.110 -16.201 817 HE3 LYS 101 HE3 LYS 101 12.224 6.977 -14.616 818 HZ1 LYS 101 HZ1 LYS 101 14.524 8.738 -15.269 819 HZ2 LYS 101 HZ2 LYS 101 12.990 9.234 -15.047 820 HZ3 LYS 101 HZ3 LYS 101 13.835 8.619 -13.794 821 H ALA 102 H ALA 102 11.163 1.898 -12.154 822 HA ALA 102 HA ALA 102 9.838 3.726 -10.177 823 HB1 ALA 102 HB1 ALA 102 8.614 1.991 -12.294 824 HB2 ALA 102 HB2 ALA 102 7.663 2.611 -10.920 825 HB3 ALA 102 HB3 ALA 102 8.401 3.754 -12.070 826 H ARG 103 H ARG 103 9.878 0.195 -11.147 827 HA ARG 103 HA ARG 103 9.042 -0.634 -8.524 828 HB2 ARG 103 HB2 ARG 103 8.897 -1.929 -10.737 829 HB3 ARG 103 HB3 ARG 103 10.589 -2.349 -10.516 830 HG2 ARG 103 HG2 ARG 103 8.695 -2.847 -8.220 831 HG3 ARG 103 HG3 ARG 103 8.485 -3.847 -9.638 832 HD2 ARG 103 HD2 ARG 103 11.287 -3.662 -8.607 833 HD3 ARG 103 HD3 ARG 103 10.126 -4.458 -7.558 834 HE ARG 103 HE ARG 103 11.121 -5.411 -10.155 835 HH11 ARG 103 HH11 ARG 103 8.590 -5.978 -7.723 836 HH12 ARG 103 HH12 ARG 103 8.426 -7.645 -8.291 837 HH21 ARG 103 HH21 ARG 103 10.727 -7.588 -10.698 838 HH22 ARG 103 HH22 ARG 103 9.506 -8.436 -9.753 839 H GLY 104 H GLY 104 12.070 0.352 -9.751 840 HA2 GLY 104 HA2 GLY 104 13.560 -0.463 -7.272 841 HA3 GLY 104 HA3 GLY 104 14.257 0.420 -8.633 842 H SER 105 H SER 105 12.750 2.567 -9.067 843 HA SER 105 HA SER 105 13.825 4.362 -7.225 844 HB2 SER 105 HB2 SER 105 11.495 4.815 -9.110 845 HB3 SER 105 HB3 SER 105 12.371 6.080 -8.233 846 HG SER 105 HG SER 105 13.213 5.818 -10.314 847 H TRP 106 H TRP 106 10.494 3.009 -7.203 848 HA TRP 106 HA TRP 106 9.303 4.796 -5.442 849 HB2 TRP 106 HB2 TRP 106 8.265 2.948 -6.760 850 HB3 TRP 106 HB3 TRP 106 8.800 1.802 -5.552 851 HD1 TRP 106 HD1 TRP 106 6.034 4.198 -6.318 852 HE1 TRP 106 HE1 TRP 106 4.413 4.458 -4.432 853 HE3 TRP 106 HE3 TRP 106 8.549 1.543 -2.702 854 HZ2 TRP 106 HZ2 TRP 106 4.325 3.929 -1.583 855 HZ3 TRP 106 HZ3 TRP 106 7.643 1.447 -0.399 856 HH2 TRP 106 HH2 TRP 106 5.561 2.668 0.190 857 H SER 107 H SER 107 11.070 1.798 -4.462 858 HA SER 107 HA SER 107 10.688 2.329 -1.633 859 HB2 SER 107 HB2 SER 107 12.397 0.524 -1.341 860 HB3 SER 107 HB3 SER 107 10.970 0.062 -2.288 861 HG SER 107 HG SER 107 12.922 -0.641 -3.248 862 H LEU 108 H LEU 108 12.876 3.458 -4.058 863 HA LEU 108 HA LEU 108 14.986 4.367 -2.265 864 HB2 LEU 108 HB2 LEU 108 14.534 3.910 -5.139 865 HB3 LEU 108 HB3 LEU 108 15.114 5.544 -4.871 866 HG LEU 108 HG LEU 108 17.067 4.619 -3.632 867 HD11 LEU 108 HD11 LEU 108 17.542 2.173 -3.792 868 HD12 LEU 108 HD12 LEU 108 16.108 2.487 -2.802 869 HD13 LEU 108 HD13 LEU 108 15.916 1.919 -4.471 870 HD21 LEU 108 HD21 LEU 108 17.182 5.040 -6.066 871 HD22 LEU 108 HD22 LEU 108 18.162 3.628 -5.621 872 HD23 LEU 108 HD23 LEU 108 16.565 3.404 -6.380 873 H GLU 109 H GLU 109 11.984 5.607 -3.546 874 HA GLU 109 HA GLU 109 12.526 8.426 -2.934 875 HB2 GLU 109 HB2 GLU 109 9.891 7.039 -3.550 876 HB3 GLU 109 HB3 GLU 109 10.206 8.766 -3.577 877 HG2 GLU 109 HG2 GLU 109 12.082 7.732 -5.401 878 HG3 GLU 109 HG3 GLU 109 10.671 6.726 -5.634 879 H HIS 110 H HIS 110 10.460 5.840 -1.557 880 HA HIS 110 HA HIS 110 9.420 7.592 0.535 881 HB2 HIS 110 HB2 HIS 110 8.944 4.713 -0.258 882 HB3 HIS 110 HB3 HIS 110 8.264 5.393 1.219 883 HD2 HIS 110 HD2 HIS 110 7.883 5.607 -2.591 884 HE1 HIS 110 HE1 HIS 110 4.773 7.988 -0.925 885 HE2 HIS 110 HE2 HIS 110 5.680 6.963 -3.064 886 H HIS 111 H HIS 111 12.237 5.770 0.357 887 HA HIS 111 HA HIS 111 12.495 5.389 3.294 888 HB2 HIS 111 HB2 HIS 111 13.397 3.744 1.629 889 HB3 HIS 111 HB3 HIS 111 14.614 4.946 1.172 890 HD2 HIS 111 HD2 HIS 111 16.795 4.855 2.600 891 HE1 HIS 111 HE1 HIS 111 15.283 3.177 6.208 892 HE2 HIS 111 HE2 HIS 111 17.321 4.166 5.077 893 H HIS 112 H HIS 112 14.834 6.214 4.098 894 HA HIS 112 HA HIS 112 14.934 9.171 3.595 895 HB2 HIS 112 HB2 HIS 112 13.607 8.218 5.649 896 HB3 HIS 112 HB3 HIS 112 15.210 8.030 6.350 897 HD2 HIS 112 HD2 HIS 112 16.455 10.308 7.073 898 HE1 HIS 112 HE1 HIS 112 13.439 13.074 5.893 899 HE2 HIS 112 HE2 HIS 112 15.639 12.812 7.141 900 H HIS 113 H HIS 113 16.835 10.164 4.824 901 HA HIS 113 HA HIS 113 19.207 9.311 3.528 902 HB2 HIS 113 HB2 HIS 113 18.390 11.648 4.143 903 HB3 HIS 113 HB3 HIS 113 18.986 11.342 5.771 904 HD2 HIS 113 HD2 HIS 113 21.352 12.359 6.101 905 HE1 HIS 113 HE1 HIS 113 22.862 12.100 2.123 906 HE2 HIS 113 HE2 HIS 113 23.375 12.866 4.491 907 H HIS 114 H HIS 114 18.086 7.659 6.085 908 HA HIS 114 HA HIS 114 20.777 6.822 7.005 909 HB2 HIS 114 HB2 HIS 114 20.170 6.934 9.335 910 HB3 HIS 114 HB3 HIS 114 19.968 8.528 8.632 911 HD2 HIS 114 HD2 HIS 114 18.035 5.719 10.333 912 HE1 HIS 114 HE1 HIS 114 15.155 8.742 9.493 913 HE2 HIS 114 HE2 HIS 114 15.564 6.546 10.707 914 H HIS 115 H HIS 115 20.674 4.783 8.299 915 HA HIS 115 HA HIS 115 18.311 3.064 7.994 916 HB2 HIS 115 HB2 HIS 115 19.535 2.845 5.815 917 HB3 HIS 115 HB3 HIS 115 20.964 2.309 6.693 918 HD2 HIS 115 HD2 HIS 115 17.233 1.221 6.250 919 HE1 HIS 115 HE1 HIS 115 19.551 -2.317 6.740 920 HE2 HIS 115 HE2 HIS 115 17.220 -1.414 6.286 Start of MODEL 2 1 H1 MET 1 H1 MET 1 2.629 -0.343 0.618 2 H2 MET 1 H2 MET 1 2.981 -1.578 -0.413 3 H3 MET 1 H3 MET 1 1.488 -1.463 0.260 4 HA MET 1 HA MET 1 1.026 0.548 -0.924 5 HB2 MET 1 HB2 MET 1 2.504 1.559 -2.440 6 HB3 MET 1 HB3 MET 1 3.453 1.256 -1.000 7 HG2 MET 1 HG2 MET 1 3.521 -0.355 -3.598 8 HG3 MET 1 HG3 MET 1 4.696 0.828 -3.086 9 HE1 MET 1 HE1 MET 1 6.765 -0.718 -3.432 10 HE2 MET 1 HE2 MET 1 6.792 -2.427 -2.924 11 HE3 MET 1 HE3 MET 1 5.611 -1.888 -4.126 12 H ARG 2 H ARG 2 -0.035 0.439 -3.057 13 HA ARG 2 HA ARG 2 -0.389 -2.344 -3.882 14 HB2 ARG 2 HB2 ARG 2 -2.316 -0.662 -3.649 15 HB3 ARG 2 HB3 ARG 2 -1.718 0.062 -5.130 16 HG2 ARG 2 HG2 ARG 2 -2.034 -2.042 -6.372 17 HG3 ARG 2 HG3 ARG 2 -2.312 -2.947 -4.894 18 HD2 ARG 2 HD2 ARG 2 -4.169 -0.876 -6.086 19 HD3 ARG 2 HD3 ARG 2 -4.365 -2.621 -6.191 20 HE ARG 2 HE ARG 2 -4.967 -0.889 -3.919 21 HH11 ARG 2 HH11 ARG 2 -4.884 -4.280 -4.894 22 HH12 ARG 2 HH12 ARG 2 -5.251 -4.822 -3.291 23 HH21 ARG 2 HH21 ARG 2 -5.562 -1.681 -1.936 24 HH22 ARG 2 HH22 ARG 2 -5.787 -3.401 -1.733 25 H VAL 3 H VAL 3 0.071 -3.277 -5.717 26 HA VAL 3 HA VAL 3 1.807 -1.900 -7.725 27 HB VAL 3 HB VAL 3 2.051 -4.697 -6.550 28 HG11 VAL 3 HG11 VAL 3 4.064 -4.925 -7.978 29 HG12 VAL 3 HG12 VAL 3 2.599 -4.807 -8.952 30 HG13 VAL 3 HG13 VAL 3 3.673 -3.395 -8.782 31 HG21 VAL 3 HG21 VAL 3 3.019 -2.951 -5.108 32 HG22 VAL 3 HG22 VAL 3 4.304 -3.907 -5.862 33 HG23 VAL 3 HG23 VAL 3 3.914 -2.285 -6.482 34 H ILE 4 H ILE 4 1.405 -2.344 -9.837 35 HA ILE 4 HA ILE 4 -0.658 -4.353 -10.610 36 HB ILE 4 HB ILE 4 -0.721 -1.408 -11.179 37 HG12 ILE 4 HG12 ILE 4 -2.481 -3.567 -9.982 38 HG13 ILE 4 HG13 ILE 4 -2.036 -2.016 -9.288 39 HG21 ILE 4 HG21 ILE 4 -2.182 -3.539 -12.773 40 HG22 ILE 4 HG22 ILE 4 -2.385 -1.778 -12.925 41 HG23 ILE 4 HG23 ILE 4 -0.848 -2.476 -13.370 42 HD11 ILE 4 HD11 ILE 4 -4.123 -2.619 -11.416 43 HD12 ILE 4 HD12 ILE 4 -4.363 -1.917 -9.807 44 HD13 ILE 4 HD13 ILE 4 -3.527 -0.976 -11.084 45 H VAL 5 H VAL 5 -0.355 -5.246 -12.551 46 HA VAL 5 HA VAL 5 1.864 -4.238 -14.231 47 HB VAL 5 HB VAL 5 1.399 -7.200 -13.814 48 HG11 VAL 5 HG11 VAL 5 3.593 -5.655 -15.281 49 HG12 VAL 5 HG12 VAL 5 3.503 -7.416 -15.106 50 HG13 VAL 5 HG13 VAL 5 2.286 -6.559 -16.060 51 HG21 VAL 5 HG21 VAL 5 3.659 -5.446 -12.753 52 HG22 VAL 5 HG22 VAL 5 2.440 -6.294 -11.782 53 HG23 VAL 5 HG23 VAL 5 3.619 -7.219 -12.719 54 H VAL 6 H VAL 6 0.963 -3.522 -16.042 55 HA VAL 6 HA VAL 6 -1.479 -4.935 -17.113 56 HB VAL 6 HB VAL 6 -0.549 -2.156 -17.842 57 HG11 VAL 6 HG11 VAL 6 -1.895 -3.170 -19.579 58 HG12 VAL 6 HG12 VAL 6 -3.102 -3.731 -18.389 59 HG13 VAL 6 HG13 VAL 6 -2.877 -2.000 -18.711 60 HG21 VAL 6 HG21 VAL 6 -1.238 -1.987 -15.551 61 HG22 VAL 6 HG22 VAL 6 -2.625 -1.454 -16.494 62 HG23 VAL 6 HG23 VAL 6 -2.620 -3.088 -15.802 63 H ILE 7 H ILE 7 -1.366 -5.776 -19.200 64 HA ILE 7 HA ILE 7 1.257 -5.488 -20.640 65 HB ILE 7 HB ILE 7 -0.313 -8.054 -20.314 66 HG12 ILE 7 HG12 ILE 7 1.953 -8.736 -19.121 67 HG13 ILE 7 HG13 ILE 7 2.073 -7.011 -18.768 68 HG21 ILE 7 HG21 ILE 7 2.236 -7.328 -21.779 69 HG22 ILE 7 HG22 ILE 7 1.887 -8.987 -21.292 70 HG23 ILE 7 HG23 ILE 7 0.770 -8.152 -22.369 71 HD11 ILE 7 HD11 ILE 7 -0.362 -8.714 -18.034 72 HD12 ILE 7 HD12 ILE 7 1.041 -8.513 -16.983 73 HD13 ILE 7 HD13 ILE 7 0.074 -7.097 -17.436 74 H VAL 8 H VAL 8 1.156 -5.057 -22.787 75 HA VAL 8 HA VAL 8 -1.402 -4.902 -24.186 76 HB VAL 8 HB VAL 8 1.437 -4.766 -25.307 77 HG11 VAL 8 HG11 VAL 8 -0.192 -5.336 -27.054 78 HG12 VAL 8 HG12 VAL 8 -1.250 -4.016 -26.537 79 HG13 VAL 8 HG13 VAL 8 0.344 -3.653 -27.242 80 HG21 VAL 8 HG21 VAL 8 -0.541 -2.564 -24.540 81 HG22 VAL 8 HG22 VAL 8 1.002 -2.922 -23.736 82 HG23 VAL 8 HG23 VAL 8 0.999 -2.315 -25.396 83 H GLY 9 H GLY 9 -2.493 -6.585 -24.874 84 HA2 GLY 9 HA2 GLY 9 -1.175 -9.007 -25.992 85 HA3 GLY 9 HA3 GLY 9 -2.191 -9.182 -24.560 86 HA PRO 10 HA PRO 10 -2.860 -11.250 -25.306 87 HB2 PRO 10 HB2 PRO 10 -3.919 -13.206 -26.896 88 HB3 PRO 10 HB3 PRO 10 -4.865 -12.340 -25.647 89 HG2 PRO 10 HG2 PRO 10 -4.716 -11.728 -28.615 90 HG3 PRO 10 HG3 PRO 10 -6.183 -11.940 -27.600 91 HD2 PRO 10 HD2 PRO 10 -5.198 -9.469 -28.140 92 HD3 PRO 10 HD3 PRO 10 -5.833 -9.861 -26.506 93 H SER 11 H SER 11 -2.268 -10.022 -28.461 94 HA SER 11 HA SER 11 0.144 -11.777 -28.794 95 HB2 SER 11 HB2 SER 11 -1.698 -10.792 -30.998 96 HB3 SER 11 HB3 SER 11 -0.287 -11.845 -31.184 97 HG SER 11 HG SER 11 -2.226 -13.033 -31.141 98 H GLY 12 H GLY 12 -0.674 -8.571 -28.297 99 HA2 GLY 12 HA2 GLY 12 0.690 -7.218 -30.383 100 HA3 GLY 12 HA3 GLY 12 0.223 -6.532 -28.831 101 H ALA 13 H ALA 13 2.036 -8.542 -27.407 102 HA ALA 13 HA ALA 13 4.729 -7.491 -28.200 103 HB1 ALA 13 HB1 ALA 13 3.642 -7.981 -25.400 104 HB2 ALA 13 HB2 ALA 13 5.279 -7.430 -25.797 105 HB3 ALA 13 HB3 ALA 13 3.882 -6.396 -26.157 106 H GLY 14 H GLY 14 2.880 -10.348 -27.653 107 HA2 GLY 14 HA2 GLY 14 4.542 -12.159 -28.800 108 HA3 GLY 14 HA3 GLY 14 5.129 -12.158 -27.138 109 H LYS 15 H LYS 15 4.159 -14.465 -28.167 110 HA LYS 15 HA LYS 15 1.303 -14.834 -27.719 111 HB2 LYS 15 HB2 LYS 15 3.522 -16.824 -28.339 112 HB3 LYS 15 HB3 LYS 15 1.791 -17.179 -28.365 113 HG2 LYS 15 HG2 LYS 15 1.449 -15.505 -30.157 114 HG3 LYS 15 HG3 LYS 15 3.173 -15.121 -30.140 115 HD2 LYS 15 HD2 LYS 15 3.679 -17.516 -30.727 116 HD3 LYS 15 HD3 LYS 15 1.934 -17.796 -30.900 117 HE2 LYS 15 HE2 LYS 15 1.821 -15.991 -32.601 118 HE3 LYS 15 HE3 LYS 15 3.545 -15.692 -32.411 119 HZ1 LYS 15 HZ1 LYS 15 2.350 -18.224 -33.399 120 HZ2 LYS 15 HZ2 LYS 15 3.102 -17.117 -34.327 121 HZ3 LYS 15 HZ3 LYS 15 3.953 -17.960 -33.220 122 H THR 16 H THR 16 4.113 -15.386 -25.768 123 HA THR 16 HA THR 16 2.454 -16.640 -23.585 124 HB THR 16 HB THR 16 5.351 -17.264 -24.228 125 HG1 THR 16 HG1 THR 16 4.536 -19.145 -25.138 126 HG21 THR 16 HG21 THR 16 3.294 -18.611 -22.430 127 HG22 THR 16 HG22 THR 16 4.835 -19.360 -22.902 128 HG23 THR 16 HG23 THR 16 4.837 -17.881 -21.938 129 H THR 17 H THR 17 4.541 -14.004 -24.365 130 HA THR 17 HA THR 17 5.912 -13.569 -21.963 131 HB THR 17 HB THR 17 6.327 -12.325 -24.024 132 HG1 THR 17 HG1 THR 17 6.673 -10.365 -22.984 133 HG21 THR 17 HG21 THR 17 3.846 -11.820 -24.548 134 HG22 THR 17 HG22 THR 17 3.975 -10.532 -23.329 135 HG23 THR 17 HG23 THR 17 5.005 -10.488 -24.770 136 H LEU 18 H LEU 18 2.648 -12.284 -22.787 137 HA LEU 18 HA LEU 18 2.147 -11.034 -20.307 138 HB2 LEU 18 HB2 LEU 18 -0.152 -10.953 -21.050 139 HB3 LEU 18 HB3 LEU 18 0.906 -10.707 -22.419 140 HG LEU 18 HG LEU 18 0.546 -13.313 -22.841 141 HD11 LEU 18 HD11 LEU 18 -2.024 -12.581 -21.356 142 HD12 LEU 18 HD12 LEU 18 -1.760 -14.035 -22.342 143 HD13 LEU 18 HD13 LEU 18 -0.878 -13.825 -20.838 144 HD21 LEU 18 HD21 LEU 18 -1.382 -12.737 -24.257 145 HD22 LEU 18 HD22 LEU 18 -1.570 -11.197 -23.383 146 HD23 LEU 18 HD23 LEU 18 -0.110 -11.514 -24.358 147 H ASP 19 H ASP 19 2.280 -14.323 -20.993 148 HA ASP 19 HA ASP 19 0.322 -15.247 -18.977 149 HB2 ASP 19 HB2 ASP 19 1.125 -16.222 -21.379 150 HB3 ASP 19 HB3 ASP 19 2.220 -17.135 -20.357 151 H GLU 20 H GLU 20 3.765 -15.830 -19.724 152 HA GLU 20 HA GLU 20 4.460 -16.781 -17.158 153 HB2 GLU 20 HB2 GLU 20 6.726 -16.639 -17.809 154 HB3 GLU 20 HB3 GLU 20 5.791 -17.098 -19.239 155 HG2 GLU 20 HG2 GLU 20 5.953 -14.843 -20.140 156 HG3 GLU 20 HG3 GLU 20 6.747 -14.262 -18.675 157 H LEU 21 H LEU 21 4.089 -13.539 -18.396 158 HA LEU 21 HA LEU 21 5.278 -12.121 -16.134 159 HB2 LEU 21 HB2 LEU 21 3.508 -11.413 -18.454 160 HB3 LEU 21 HB3 LEU 21 3.514 -10.339 -17.100 161 HG LEU 21 HG LEU 21 5.094 -9.925 -19.094 162 HD11 LEU 21 HD11 LEU 21 6.181 -9.738 -16.240 163 HD12 LEU 21 HD12 LEU 21 6.614 -8.683 -17.610 164 HD13 LEU 21 HD13 LEU 21 4.984 -8.638 -16.922 165 HD21 LEU 21 HD21 LEU 21 6.981 -11.710 -17.488 166 HD22 LEU 21 HD22 LEU 21 6.408 -12.011 -19.144 167 HD23 LEU 21 HD23 LEU 21 7.420 -10.617 -18.813 168 H ALA 22 H ALA 22 1.737 -12.654 -16.965 169 HA ALA 22 HA ALA 22 0.812 -11.770 -14.491 170 HB1 ALA 22 HB1 ALA 22 -0.408 -13.901 -16.293 171 HB2 ALA 22 HB2 ALA 22 -1.255 -12.979 -15.030 172 HB3 ALA 22 HB3 ALA 22 -0.623 -12.147 -16.456 173 H ARG 23 H ARG 23 1.871 -15.049 -15.343 174 HA ARG 23 HA ARG 23 1.400 -16.372 -12.863 175 HB2 ARG 23 HB2 ARG 23 3.458 -16.746 -15.070 176 HB3 ARG 23 HB3 ARG 23 3.356 -17.827 -13.674 177 HG2 ARG 23 HG2 ARG 23 1.246 -18.665 -14.276 178 HG3 ARG 23 HG3 ARG 23 0.893 -17.319 -15.355 179 HD2 ARG 23 HD2 ARG 23 1.382 -19.349 -16.620 180 HD3 ARG 23 HD3 ARG 23 2.527 -18.062 -16.982 181 HE ARG 23 HE ARG 23 3.496 -19.854 -14.894 182 HH11 ARG 23 HH11 ARG 23 3.170 -19.626 -18.367 183 HH12 ARG 23 HH12 ARG 23 4.611 -20.578 -18.671 184 HH21 ARG 23 HH21 ARG 23 5.284 -21.117 -15.331 185 HH22 ARG 23 HH22 ARG 23 5.756 -21.424 -16.983 186 H LYS 24 H LYS 24 4.618 -15.117 -13.948 187 HA LYS 24 HA LYS 24 5.808 -15.506 -11.392 188 HB2 LYS 24 HB2 LYS 24 6.644 -13.799 -13.764 189 HB3 LYS 24 HB3 LYS 24 7.600 -13.920 -12.290 190 HG2 LYS 24 HG2 LYS 24 7.757 -16.350 -12.493 191 HG3 LYS 24 HG3 LYS 24 6.755 -16.339 -13.948 192 HD2 LYS 24 HD2 LYS 24 9.422 -14.872 -13.733 193 HD3 LYS 24 HD3 LYS 24 9.264 -16.547 -14.269 194 HE2 LYS 24 HE2 LYS 24 7.717 -15.824 -16.076 195 HE3 LYS 24 HE3 LYS 24 7.968 -14.146 -15.621 196 HZ1 LYS 24 HZ1 LYS 24 10.280 -14.344 -16.219 197 HZ2 LYS 24 HZ2 LYS 24 10.171 -15.970 -16.420 198 HZ3 LYS 24 HZ3 LYS 24 9.428 -14.991 -17.462 199 H ALA 25 H ALA 25 4.401 -12.511 -12.753 200 HA ALA 25 HA ALA 25 4.949 -10.835 -10.479 201 HB1 ALA 25 HB1 ALA 25 2.636 -10.647 -12.454 202 HB2 ALA 25 HB2 ALA 25 3.275 -9.370 -11.397 203 HB3 ALA 25 HB3 ALA 25 4.267 -10.001 -12.727 204 H LYS 26 H LYS 26 1.657 -12.459 -11.187 205 HA LYS 26 HA LYS 26 0.831 -11.736 -8.618 206 HB2 LYS 26 HB2 LYS 26 -0.599 -12.606 -10.613 207 HB3 LYS 26 HB3 LYS 26 -0.194 -14.221 -10.024 208 HG2 LYS 26 HG2 LYS 26 -2.219 -13.831 -8.941 209 HG3 LYS 26 HG3 LYS 26 -1.083 -13.327 -7.704 210 HD2 LYS 26 HD2 LYS 26 -1.414 -10.922 -8.924 211 HD3 LYS 26 HD3 LYS 26 -2.955 -11.699 -9.380 212 HE2 LYS 26 HE2 LYS 26 -2.847 -12.419 -6.779 213 HE3 LYS 26 HE3 LYS 26 -1.766 -11.018 -6.713 214 HZ1 LYS 26 HZ1 LYS 26 -4.576 -10.929 -7.683 215 HZ2 LYS 26 HZ2 LYS 26 -4.076 -10.432 -6.204 216 HZ3 LYS 26 HZ3 LYS 26 -3.561 -9.648 -7.529 217 H GLU 27 H GLU 27 2.740 -14.621 -9.492 218 HA GLU 27 HA GLU 27 2.560 -15.955 -6.951 219 HB2 GLU 27 HB2 GLU 27 4.628 -15.945 -9.167 220 HB3 GLU 27 HB3 GLU 27 4.931 -16.776 -7.645 221 HG2 GLU 27 HG2 GLU 27 2.897 -18.124 -7.924 222 HG3 GLU 27 HG3 GLU 27 2.515 -17.301 -9.429 223 H GLU 28 H GLU 28 5.026 -13.557 -8.065 224 HA GLU 28 HA GLU 28 6.222 -13.482 -5.390 225 HB2 GLU 28 HB2 GLU 28 7.918 -12.178 -6.298 226 HB3 GLU 28 HB3 GLU 28 7.527 -13.378 -7.523 227 HG2 GLU 28 HG2 GLU 28 6.032 -11.504 -8.571 228 HG3 GLU 28 HG3 GLU 28 6.869 -10.421 -7.485 229 H VAL 29 H VAL 29 3.810 -11.647 -7.011 230 HA VAL 29 HA VAL 29 3.422 -9.850 -4.688 231 HB VAL 29 HB VAL 29 2.857 -7.972 -6.072 232 HG11 VAL 29 HG11 VAL 29 5.659 -8.859 -6.769 233 HG12 VAL 29 HG12 VAL 29 5.070 -7.210 -6.595 234 HG13 VAL 29 HG13 VAL 29 5.199 -8.249 -5.155 235 HG21 VAL 29 HG21 VAL 29 2.473 -9.291 -8.266 236 HG22 VAL 29 HG22 VAL 29 3.385 -7.765 -8.398 237 HG23 VAL 29 HG23 VAL 29 4.240 -9.320 -8.404 238 HA PRO 30 HA PRO 30 -0.429 -12.216 -5.620 239 HB2 PRO 30 HB2 PRO 30 -0.882 -12.972 -3.018 240 HB3 PRO 30 HB3 PRO 30 0.182 -13.882 -4.146 241 HG2 PRO 30 HG2 PRO 30 0.965 -11.840 -2.043 242 HG3 PRO 30 HG3 PRO 30 1.693 -13.455 -2.348 243 HD2 PRO 30 HD2 PRO 30 2.778 -11.175 -3.351 244 HD3 PRO 30 HD3 PRO 30 2.783 -12.689 -4.308 245 H ASP 31 H ASP 31 0.440 -9.443 -3.980 246 HA ASP 31 HA ASP 31 -2.291 -8.627 -3.120 247 HB2 ASP 31 HB2 ASP 31 -0.049 -8.275 -1.854 248 HB3 ASP 31 HB3 ASP 31 0.289 -7.030 -3.028 249 H ALA 32 H ALA 32 -0.163 -8.361 -5.763 250 HA ALA 32 HA ALA 32 -0.979 -5.753 -6.742 251 HB1 ALA 32 HB1 ALA 32 0.661 -7.956 -8.066 252 HB2 ALA 32 HB2 ALA 32 0.632 -6.255 -8.544 253 HB3 ALA 32 HB3 ALA 32 1.319 -6.708 -6.971 254 H GLU 33 H GLU 33 -1.728 -5.473 -9.077 255 HA GLU 33 HA GLU 33 -3.758 -7.583 -9.755 256 HB2 GLU 33 HB2 GLU 33 -4.124 -4.812 -10.747 257 HB3 GLU 33 HB3 GLU 33 -5.306 -6.011 -10.335 258 HG2 GLU 33 HG2 GLU 33 -3.670 -4.368 -8.329 259 HG3 GLU 33 HG3 GLU 33 -5.283 -3.994 -8.886 260 H ILE 34 H ILE 34 -3.007 -8.808 -11.379 261 HA ILE 34 HA ILE 34 -1.554 -7.467 -13.550 262 HB ILE 34 HB ILE 34 -1.745 -10.446 -13.284 263 HG12 ILE 34 HG12 ILE 34 -1.232 -9.915 -11.025 264 HG13 ILE 34 HG13 ILE 34 0.141 -10.587 -11.812 265 HG21 ILE 34 HG21 ILE 34 -0.115 -8.425 -14.720 266 HG22 ILE 34 HG22 ILE 34 0.821 -9.734 -14.006 267 HG23 ILE 34 HG23 ILE 34 -0.526 -10.076 -15.128 268 HD11 ILE 34 HD11 ILE 34 -0.161 -7.587 -11.287 269 HD12 ILE 34 HD12 ILE 34 0.701 -8.745 -10.255 270 HD13 ILE 34 HD13 ILE 34 1.264 -8.422 -11.919 271 H ARG 35 H ARG 35 -2.431 -7.077 -15.429 272 HA ARG 35 HA ARG 35 -4.529 -8.822 -16.578 273 HB2 ARG 35 HB2 ARG 35 -6.076 -6.939 -17.058 274 HB3 ARG 35 HB3 ARG 35 -6.004 -7.335 -15.384 275 HG2 ARG 35 HG2 ARG 35 -4.366 -5.045 -16.553 276 HG3 ARG 35 HG3 ARG 35 -6.049 -4.926 -16.014 277 HD2 ARG 35 HD2 ARG 35 -4.983 -6.160 -13.844 278 HD3 ARG 35 HD3 ARG 35 -3.571 -5.324 -14.395 279 HE ARG 35 HE ARG 35 -4.941 -3.169 -14.174 280 HH11 ARG 35 HH11 ARG 35 -6.564 -5.960 -12.702 281 HH12 ARG 35 HH12 ARG 35 -7.649 -4.848 -11.872 282 HH21 ARG 35 HH21 ARG 35 -6.458 -1.993 -13.080 283 HH22 ARG 35 HH22 ARG 35 -7.500 -2.869 -11.967 284 H THR 36 H THR 36 -5.276 -8.069 -18.789 285 HA THR 36 HA THR 36 -3.053 -6.761 -20.266 286 HB THR 36 HB THR 36 -3.205 -8.282 -22.089 287 HG1 THR 36 HG1 THR 36 -4.755 -9.961 -22.069 288 HG21 THR 36 HG21 THR 36 -3.477 -10.208 -19.757 289 HG22 THR 36 HG22 THR 36 -2.568 -10.377 -21.276 290 HG23 THR 36 HG23 THR 36 -2.015 -9.255 -20.015 291 H VAL 37 H VAL 37 -3.580 -5.922 -22.378 292 HA VAL 37 HA VAL 37 -6.403 -5.080 -22.840 293 HB VAL 37 HB VAL 37 -6.151 -2.973 -22.627 294 HG11 VAL 37 HG11 VAL 37 -4.610 -2.012 -21.116 295 HG12 VAL 37 HG12 VAL 37 -5.214 -3.578 -20.519 296 HG13 VAL 37 HG13 VAL 37 -3.557 -3.455 -21.194 297 HG21 VAL 37 HG21 VAL 37 -3.464 -3.013 -23.933 298 HG22 VAL 37 HG22 VAL 37 -5.088 -2.453 -24.511 299 HG23 VAL 37 HG23 VAL 37 -4.243 -1.576 -23.236 300 H THR 38 H THR 38 -6.903 -4.561 -24.879 301 HA THR 38 HA THR 38 -4.897 -5.298 -27.011 302 HB THR 38 HB THR 38 -6.386 -7.169 -26.615 303 HG1 THR 38 HG1 THR 38 -6.981 -7.441 -28.752 304 HG21 THR 38 HG21 THR 38 -8.436 -6.072 -25.911 305 HG22 THR 38 HG22 THR 38 -8.631 -5.324 -27.517 306 HG23 THR 38 HG23 THR 38 -8.750 -7.085 -27.326 307 H THR 39 H THR 39 -7.408 -3.077 -26.083 308 HA THR 39 HA THR 39 -6.792 -1.284 -28.365 309 HB THR 39 HB THR 39 -9.435 -0.909 -28.330 310 HG1 THR 39 HG1 THR 39 -10.486 -2.915 -28.186 311 HG21 THR 39 HG21 THR 39 -8.128 -1.543 -30.330 312 HG22 THR 39 HG22 THR 39 -8.256 -3.259 -29.858 313 HG23 THR 39 HG23 THR 39 -9.714 -2.326 -30.260 314 H LYS 40 H LYS 40 -8.026 0.792 -28.109 315 HA LYS 40 HA LYS 40 -7.120 2.193 -25.923 316 HB2 LYS 40 HB2 LYS 40 -8.360 4.019 -26.736 317 HB3 LYS 40 HB3 LYS 40 -7.978 3.076 -28.156 318 HG2 LYS 40 HG2 LYS 40 -10.658 3.227 -26.700 319 HG3 LYS 40 HG3 LYS 40 -10.232 4.096 -28.157 320 HD2 LYS 40 HD2 LYS 40 -10.120 1.988 -29.434 321 HD3 LYS 40 HD3 LYS 40 -10.540 1.067 -27.980 322 HE2 LYS 40 HE2 LYS 40 -12.671 2.340 -27.792 323 HE3 LYS 40 HE3 LYS 40 -12.276 3.210 -29.266 324 HZ1 LYS 40 HZ1 LYS 40 -12.248 1.005 -30.417 325 HZ2 LYS 40 HZ2 LYS 40 -12.784 0.292 -29.044 326 HZ3 LYS 40 HZ3 LYS 40 -13.706 1.378 -29.810 327 H GLU 41 H GLU 41 -10.068 0.414 -26.195 328 HA GLU 41 HA GLU 41 -11.434 1.570 -23.901 329 HB2 GLU 41 HB2 GLU 41 -13.109 -0.190 -24.400 330 HB3 GLU 41 HB3 GLU 41 -12.651 0.759 -25.831 331 HG2 GLU 41 HG2 GLU 41 -11.102 -1.051 -26.522 332 HG3 GLU 41 HG3 GLU 41 -11.658 -2.047 -25.187 333 H ASP 42 H ASP 42 -9.624 -1.454 -24.547 334 HA ASP 42 HA ASP 42 -10.019 -2.551 -21.902 335 HB2 ASP 42 HB2 ASP 42 -7.949 -3.093 -24.046 336 HB3 ASP 42 HB3 ASP 42 -8.045 -3.889 -22.486 337 H ALA 43 H ALA 43 -7.513 -0.512 -23.380 338 HA ALA 43 HA ALA 43 -5.873 -0.294 -21.027 339 HB1 ALA 43 HB1 ALA 43 -4.969 0.396 -23.042 340 HB2 ALA 43 HB2 ALA 43 -6.325 1.496 -23.438 341 HB3 ALA 43 HB3 ALA 43 -5.187 1.891 -22.119 342 H LYS 44 H LYS 44 -8.671 1.622 -22.156 343 HA LYS 44 HA LYS 44 -8.697 3.416 -19.933 344 HB2 LYS 44 HB2 LYS 44 -9.821 3.859 -22.048 345 HB3 LYS 44 HB3 LYS 44 -11.037 2.621 -21.696 346 HG2 LYS 44 HG2 LYS 44 -11.996 3.845 -19.969 347 HG3 LYS 44 HG3 LYS 44 -10.513 4.728 -19.596 348 HD2 LYS 44 HD2 LYS 44 -10.753 5.968 -21.772 349 HD3 LYS 44 HD3 LYS 44 -12.377 5.241 -21.931 350 HE2 LYS 44 HE2 LYS 44 -12.925 6.208 -19.661 351 HE3 LYS 44 HE3 LYS 44 -11.332 6.948 -19.620 352 HZ1 LYS 44 HZ1 LYS 44 -11.949 8.226 -21.609 353 HZ2 LYS 44 HZ2 LYS 44 -13.437 7.557 -21.632 354 HZ3 LYS 44 HZ3 LYS 44 -13.006 8.521 -20.397 355 H ARG 45 H ARG 45 -10.440 0.299 -20.339 356 HA ARG 45 HA ARG 45 -11.791 0.496 -17.822 357 HB2 ARG 45 HB2 ARG 45 -12.723 -1.531 -18.141 358 HB3 ARG 45 HB3 ARG 45 -12.451 -0.939 -19.778 359 HG2 ARG 45 HG2 ARG 45 -10.353 -2.389 -19.806 360 HG3 ARG 45 HG3 ARG 45 -10.912 -3.102 -18.282 361 HD2 ARG 45 HD2 ARG 45 -12.979 -3.860 -19.393 362 HD3 ARG 45 HD3 ARG 45 -12.507 -3.000 -20.864 363 HE ARG 45 HE ARG 45 -11.096 -4.724 -21.475 364 HH11 ARG 45 HH11 ARG 45 -11.961 -5.412 -18.125 365 HH12 ARG 45 HH12 ARG 45 -11.091 -6.930 -18.173 366 HH21 ARG 45 HH21 ARG 45 -10.085 -6.474 -21.450 367 HH22 ARG 45 HH22 ARG 45 -10.029 -7.567 -20.067 368 H VAL 46 H VAL 46 -8.811 -1.355 -18.653 369 HA VAL 46 HA VAL 46 -8.369 -2.294 -15.995 370 HB VAL 46 HB VAL 46 -6.138 -2.753 -16.559 371 HG11 VAL 46 HG11 VAL 46 -7.900 -4.266 -17.419 372 HG12 VAL 46 HG12 VAL 46 -7.903 -3.413 -18.967 373 HG13 VAL 46 HG13 VAL 46 -6.450 -4.284 -18.441 374 HG21 VAL 46 HG21 VAL 46 -6.407 -1.119 -19.058 375 HG22 VAL 46 HG22 VAL 46 -5.315 -0.852 -17.679 376 HG23 VAL 46 HG23 VAL 46 -5.087 -2.265 -18.710 377 H ALA 47 H ALA 47 -7.278 0.740 -17.511 378 HA ALA 47 HA ALA 47 -5.819 1.560 -15.168 379 HB1 ALA 47 HB1 ALA 47 -6.893 3.331 -17.389 380 HB2 ALA 47 HB2 ALA 47 -5.442 3.561 -16.348 381 HB3 ALA 47 HB3 ALA 47 -5.488 2.296 -17.596 382 H GLU 48 H GLU 48 -9.055 2.660 -16.421 383 HA GLU 48 HA GLU 48 -9.636 4.318 -14.219 384 HB2 GLU 48 HB2 GLU 48 -11.823 4.413 -14.937 385 HB3 GLU 48 HB3 GLU 48 -10.873 4.200 -16.417 386 HG2 GLU 48 HG2 GLU 48 -11.383 1.746 -16.319 387 HG3 GLU 48 HG3 GLU 48 -12.337 1.984 -14.900 388 H GLU 49 H GLU 49 -9.577 0.839 -14.456 389 HA GLU 49 HA GLU 49 -10.990 0.311 -11.941 390 HB2 GLU 49 HB2 GLU 49 -10.279 -1.434 -13.962 391 HB3 GLU 49 HB3 GLU 49 -8.905 -1.604 -12.950 392 HG2 GLU 49 HG2 GLU 49 -10.770 -1.811 -10.998 393 HG3 GLU 49 HG3 GLU 49 -11.741 -2.348 -12.366 394 H ALA 50 H ALA 50 -7.540 0.395 -12.934 395 HA ALA 50 HA ALA 50 -6.378 -0.139 -10.398 396 HB1 ALA 50 HB1 ALA 50 -4.389 1.034 -11.348 397 HB2 ALA 50 HB2 ALA 50 -5.070 -0.193 -12.447 398 HB3 ALA 50 HB3 ALA 50 -5.395 1.545 -12.712 399 H GLU 51 H GLU 51 -7.705 2.941 -11.629 400 HA GLU 51 HA GLU 51 -6.518 4.422 -9.365 401 HB2 GLU 51 HB2 GLU 51 -7.708 6.357 -10.158 402 HB3 GLU 51 HB3 GLU 51 -6.972 5.490 -11.530 403 HG2 GLU 51 HG2 GLU 51 -8.989 4.672 -12.288 404 HG3 GLU 51 HG3 GLU 51 -9.867 5.024 -10.800 405 H ARG 52 H ARG 52 -9.209 2.479 -9.699 406 HA ARG 52 HA ARG 52 -10.880 3.667 -7.551 407 HB2 ARG 52 HB2 ARG 52 -11.038 0.743 -8.313 408 HB3 ARG 52 HB3 ARG 52 -12.292 1.777 -7.660 409 HG2 ARG 52 HG2 ARG 52 -11.099 1.832 -10.429 410 HG3 ARG 52 HG3 ARG 52 -12.700 1.201 -9.989 411 HD2 ARG 52 HD2 ARG 52 -13.027 3.719 -9.131 412 HD3 ARG 52 HD3 ARG 52 -11.696 3.988 -10.298 413 HE ARG 52 HE ARG 52 -14.114 2.532 -11.216 414 HH11 ARG 52 HH11 ARG 52 -12.272 5.547 -11.392 415 HH12 ARG 52 HH12 ARG 52 -13.163 6.096 -12.781 416 HH21 ARG 52 HH21 ARG 52 -15.108 3.266 -13.062 417 HH22 ARG 52 HH22 ARG 52 -14.700 4.836 -13.708 418 H ARG 53 H ARG 53 -8.573 1.073 -7.828 419 HA ARG 53 HA ARG 53 -8.501 0.560 -4.907 420 HB2 ARG 53 HB2 ARG 53 -7.390 -1.521 -5.528 421 HB3 ARG 53 HB3 ARG 53 -8.889 -1.327 -6.444 422 HG2 ARG 53 HG2 ARG 53 -7.044 -0.195 -8.173 423 HG3 ARG 53 HG3 ARG 53 -6.030 -1.367 -7.370 424 HD2 ARG 53 HD2 ARG 53 -8.668 -2.005 -8.767 425 HD3 ARG 53 HD3 ARG 53 -7.050 -2.353 -9.386 426 HE ARG 53 HE ARG 53 -6.855 -3.698 -7.114 427 HH11 ARG 53 HH11 ARG 53 -9.372 -4.035 -9.491 428 HH12 ARG 53 HH12 ARG 53 -10.070 -5.407 -8.684 429 HH21 ARG 53 HH21 ARG 53 -7.462 -5.583 -6.461 430 HH22 ARG 53 HH22 ARG 53 -8.941 -6.343 -7.007 431 H ASN 54 H ASN 54 -6.794 2.310 -7.136 432 HA ASN 54 HA ASN 54 -5.138 3.812 -6.828 433 HB2 ASN 54 HB2 ASN 54 -5.804 3.017 -4.043 434 HB3 ASN 54 HB3 ASN 54 -4.415 4.095 -4.316 435 HD21 ASN 54 HD21 ASN 54 -8.297 5.249 -5.208 436 HD22 ASN 54 HD22 ASN 54 -7.923 3.607 -4.762 437 H ALA 55 H ALA 55 -4.212 1.999 -8.077 438 HA ALA 55 HA ALA 55 -2.065 0.417 -7.137 439 HB1 ALA 55 HB1 ALA 55 -1.483 0.220 -9.448 440 HB2 ALA 55 HB2 ALA 55 -3.261 0.144 -9.223 441 HB3 ALA 55 HB3 ALA 55 -2.517 1.610 -9.887 442 H ASP 56 H ASP 56 -0.701 1.615 -5.737 443 HA ASP 56 HA ASP 56 0.465 4.061 -6.145 444 HB2 ASP 56 HB2 ASP 56 0.718 2.051 -4.252 445 HB3 ASP 56 HB3 ASP 56 2.327 2.088 -4.934 446 H ILE 57 H ILE 57 1.554 0.964 -7.479 447 HA ILE 57 HA ILE 57 3.363 2.416 -9.362 448 HB ILE 57 HB ILE 57 4.114 -0.360 -8.462 449 HG12 ILE 57 HG12 ILE 57 4.696 2.124 -6.827 450 HG13 ILE 57 HG13 ILE 57 3.839 0.674 -6.316 451 HG21 ILE 57 HG21 ILE 57 5.204 0.844 -10.414 452 HG22 ILE 57 HG22 ILE 57 5.808 2.042 -9.255 453 HG23 ILE 57 HG23 ILE 57 6.326 0.344 -9.156 454 HD11 ILE 57 HD11 ILE 57 5.978 0.598 -5.341 455 HD12 ILE 57 HD12 ILE 57 5.939 -0.654 -6.606 456 HD13 ILE 57 HD13 ILE 57 6.797 0.885 -6.891 457 H VAL 58 H VAL 58 2.906 2.037 -11.421 458 HA VAL 58 HA VAL 58 1.414 -0.415 -12.241 459 HB VAL 58 HB VAL 58 0.649 1.342 -14.122 460 HG11 VAL 58 HG11 VAL 58 -0.623 0.953 -11.422 461 HG12 VAL 58 HG12 VAL 58 -1.433 1.676 -12.829 462 HG13 VAL 58 HG13 VAL 58 -0.877 -0.004 -12.918 463 HG21 VAL 58 HG21 VAL 58 1.866 3.224 -12.869 464 HG22 VAL 58 HG22 VAL 58 0.164 3.496 -13.276 465 HG23 VAL 58 HG23 VAL 58 0.670 3.073 -11.596 466 H VAL 59 H VAL 59 2.968 -1.661 -12.913 467 HA VAL 59 HA VAL 59 5.028 -0.828 -14.853 468 HB VAL 59 HB VAL 59 4.339 -3.568 -13.716 469 HG11 VAL 59 HG11 VAL 59 6.814 -2.547 -15.157 470 HG12 VAL 59 HG12 VAL 59 6.608 -4.180 -14.475 471 HG13 VAL 59 HG13 VAL 59 5.607 -3.670 -15.841 472 HG21 VAL 59 HG21 VAL 59 6.287 -3.296 -12.253 473 HG22 VAL 59 HG22 VAL 59 6.534 -1.636 -12.847 474 HG23 VAL 59 HG23 VAL 59 5.082 -2.055 -11.908 475 H ILE 60 H ILE 60 4.062 -0.287 -16.785 476 HA ILE 60 HA ILE 60 2.063 -2.075 -17.998 477 HB ILE 60 HB ILE 60 3.579 0.120 -19.383 478 HG12 ILE 60 HG12 ILE 60 2.572 1.139 -17.286 479 HG13 ILE 60 HG13 ILE 60 2.055 1.835 -18.794 480 HG21 ILE 60 HG21 ILE 60 1.410 0.269 -20.673 481 HG22 ILE 60 HG22 ILE 60 2.353 -1.216 -20.899 482 HG23 ILE 60 HG23 ILE 60 0.907 -1.229 -19.871 483 HD11 ILE 60 HD11 ILE 60 0.475 -0.091 -17.051 484 HD12 ILE 60 HD12 ILE 60 0.205 1.652 -17.298 485 HD13 ILE 60 HD13 ILE 60 -0.062 0.532 -18.639 486 H VAL 61 H VAL 61 2.630 -3.574 -19.587 487 HA VAL 61 HA VAL 61 5.503 -3.951 -20.314 488 HB VAL 61 HB VAL 61 3.355 -6.056 -20.212 489 HG11 VAL 61 HG11 VAL 61 6.385 -6.229 -20.499 490 HG12 VAL 61 HG12 VAL 61 5.280 -7.612 -20.332 491 HG13 VAL 61 HG13 VAL 61 5.185 -6.580 -21.757 492 HG21 VAL 61 HG21 VAL 61 5.556 -5.575 -18.152 493 HG22 VAL 61 HG22 VAL 61 3.824 -5.265 -17.898 494 HG23 VAL 61 HG23 VAL 61 4.395 -6.912 -18.180 495 H GLY 62 H GLY 62 5.941 -3.621 -22.356 496 HA2 GLY 62 HA2 GLY 62 3.896 -3.982 -24.511 497 HA3 GLY 62 HA3 GLY 62 4.838 -2.487 -24.374 498 HA PRO 63 HA PRO 63 7.021 -5.711 -26.985 499 HB2 PRO 63 HB2 PRO 63 7.198 -4.315 -29.359 500 HB3 PRO 63 HB3 PRO 63 5.833 -5.358 -28.879 501 HG2 PRO 63 HG2 PRO 63 6.029 -2.341 -28.661 502 HG3 PRO 63 HG3 PRO 63 4.664 -3.331 -29.254 503 HD2 PRO 63 HD2 PRO 63 4.692 -2.353 -26.721 504 HD3 PRO 63 HD3 PRO 63 4.046 -3.969 -27.093 505 H SER 64 H SER 64 7.979 -2.540 -28.232 506 HA SER 64 HA SER 64 10.298 -1.941 -26.737 507 HB2 SER 64 HB2 SER 64 11.276 -4.021 -27.552 508 HB3 SER 64 HB3 SER 64 10.826 -3.627 -29.225 509 HG SER 64 HG SER 64 13.002 -3.117 -28.799 510 H GLY 65 H GLY 65 9.145 -2.174 -30.115 511 HA2 GLY 65 HA2 GLY 65 8.578 0.684 -30.260 512 HA3 GLY 65 HA3 GLY 65 9.801 0.115 -31.414 513 H SER 66 H SER 66 6.928 1.056 -31.775 514 HA SER 66 HA SER 66 5.873 -0.984 -33.579 515 HB2 SER 66 HB2 SER 66 4.904 -0.713 -30.731 516 HB3 SER 66 HB3 SER 66 3.689 -0.956 -31.992 517 HG SER 66 HG SER 66 5.975 -2.576 -31.780 518 H GLY 67 H GLY 67 3.847 -0.393 -34.540 519 HA2 GLY 67 HA2 GLY 67 3.190 2.512 -34.544 520 HA3 GLY 67 HA3 GLY 67 2.731 1.323 -35.757 521 H LYS 68 H LYS 68 2.140 -0.106 -32.822 522 HA LYS 68 HA LYS 68 -0.675 0.900 -32.586 523 HB2 LYS 68 HB2 LYS 68 -1.636 -1.102 -32.917 524 HB3 LYS 68 HB3 LYS 68 -0.300 -1.236 -34.026 525 HG2 LYS 68 HG2 LYS 68 -0.621 -2.548 -31.302 526 HG3 LYS 68 HG3 LYS 68 -0.598 -3.319 -32.884 527 HD2 LYS 68 HD2 LYS 68 1.813 -2.660 -33.134 528 HD3 LYS 68 HD3 LYS 68 1.775 -2.006 -31.485 529 HE2 LYS 68 HE2 LYS 68 1.338 -4.115 -30.505 530 HE3 LYS 68 HE3 LYS 68 0.997 -4.875 -32.057 531 HZ1 LYS 68 HZ1 LYS 68 3.262 -5.299 -31.074 532 HZ2 LYS 68 HZ2 LYS 68 3.268 -4.809 -32.637 533 HZ3 LYS 68 HZ3 LYS 68 3.676 -3.770 -31.459 534 H SER 69 H SER 69 2.076 0.421 -30.753 535 HA SER 69 HA SER 69 1.072 -0.791 -28.366 536 HB2 SER 69 HB2 SER 69 3.197 0.258 -27.413 537 HB3 SER 69 HB3 SER 69 3.412 -0.841 -28.785 538 HG SER 69 HG SER 69 4.552 1.235 -28.897 539 H THR 70 H THR 70 -0.022 2.003 -29.597 540 HA THR 70 HA THR 70 -0.067 4.017 -27.729 541 HB THR 70 HB THR 70 -2.635 3.151 -29.014 542 HG1 THR 70 HG1 THR 70 -1.862 4.041 -30.968 543 HG21 THR 70 HG21 THR 70 -2.873 5.544 -29.493 544 HG22 THR 70 HG22 THR 70 -2.570 5.298 -27.767 545 HG23 THR 70 HG23 THR 70 -1.250 5.859 -28.820 546 H LEU 71 H LEU 71 -1.947 0.958 -27.471 547 HA LEU 71 HA LEU 71 -3.712 1.784 -25.435 548 HB2 LEU 71 HB2 LEU 71 -2.586 -1.005 -25.471 549 HB3 LEU 71 HB3 LEU 71 -4.193 -0.430 -25.071 550 HG LEU 71 HG LEU 71 -4.709 -1.441 -26.964 551 HD11 LEU 71 HD11 LEU 71 -3.727 0.986 -28.489 552 HD12 LEU 71 HD12 LEU 71 -5.099 -0.047 -28.820 553 HD13 LEU 71 HD13 LEU 71 -5.154 1.037 -27.410 554 HD21 LEU 71 HD21 LEU 71 -3.205 -1.666 -28.960 555 HD22 LEU 71 HD22 LEU 71 -1.920 -0.876 -28.006 556 HD23 LEU 71 HD23 LEU 71 -2.615 -2.411 -27.470 557 H ALA 72 H ALA 72 -0.350 0.761 -25.212 558 HA ALA 72 HA ALA 72 -0.170 0.522 -22.345 559 HB1 ALA 72 HB1 ALA 72 2.279 0.661 -22.752 560 HB2 ALA 72 HB2 ALA 72 1.523 -0.450 -23.902 561 HB3 ALA 72 HB3 ALA 72 1.991 1.179 -24.415 562 H LYS 73 H LYS 73 0.632 3.244 -24.576 563 HA LYS 73 HA LYS 73 1.082 5.031 -22.344 564 HB2 LYS 73 HB2 LYS 73 1.356 6.844 -23.863 565 HB3 LYS 73 HB3 LYS 73 2.310 5.464 -24.323 566 HG2 LYS 73 HG2 LYS 73 1.455 5.476 -26.383 567 HG3 LYS 73 HG3 LYS 73 -0.187 5.326 -25.768 568 HD2 LYS 73 HD2 LYS 73 1.259 7.976 -26.086 569 HD3 LYS 73 HD3 LYS 73 0.152 7.244 -27.260 570 HE2 LYS 73 HE2 LYS 73 -1.651 7.217 -25.538 571 HE3 LYS 73 HE3 LYS 73 -0.562 8.027 -24.402 572 HZ1 LYS 73 HZ1 LYS 73 -0.456 9.906 -25.953 573 HZ2 LYS 73 HZ2 LYS 73 -1.448 9.146 -27.003 574 HZ3 LYS 73 HZ3 LYS 73 -2.010 9.622 -25.554 575 H ILE 74 H ILE 74 -1.894 4.198 -24.057 576 HA ILE 74 HA ILE 74 -3.489 6.320 -22.947 577 HB ILE 74 HB ILE 74 -4.182 3.510 -23.861 578 HG12 ILE 74 HG12 ILE 74 -4.924 6.190 -25.107 579 HG13 ILE 74 HG13 ILE 74 -3.461 5.347 -25.540 580 HG21 ILE 74 HG21 ILE 74 -6.103 5.719 -22.972 581 HG22 ILE 74 HG22 ILE 74 -6.580 4.180 -23.736 582 HG23 ILE 74 HG23 ILE 74 -5.866 4.174 -22.141 583 HD11 ILE 74 HD11 ILE 74 -6.305 4.362 -25.949 584 HD12 ILE 74 HD12 ILE 74 -5.147 4.844 -27.195 585 HD13 ILE 74 HD13 ILE 74 -4.883 3.351 -26.276 586 H VAL 75 H VAL 75 -2.853 2.965 -21.644 587 HA VAL 75 HA VAL 75 -4.152 3.396 -19.158 588 HB VAL 75 HB VAL 75 -1.662 1.739 -19.771 589 HG11 VAL 75 HG11 VAL 75 -1.997 2.093 -17.276 590 HG12 VAL 75 HG12 VAL 75 -3.618 1.393 -17.431 591 HG13 VAL 75 HG13 VAL 75 -2.194 0.409 -17.783 592 HG21 VAL 75 HG21 VAL 75 -3.499 0.958 -21.100 593 HG22 VAL 75 HG22 VAL 75 -3.186 -0.201 -19.821 594 HG23 VAL 75 HG23 VAL 75 -4.566 0.911 -19.654 595 H LYS 76 H LYS 76 -0.695 3.967 -19.994 596 HA LYS 76 HA LYS 76 0.073 5.121 -17.503 597 HB2 LYS 76 HB2 LYS 76 1.687 4.429 -19.121 598 HB3 LYS 76 HB3 LYS 76 1.112 5.612 -20.306 599 HG2 LYS 76 HG2 LYS 76 2.149 7.383 -19.307 600 HG3 LYS 76 HG3 LYS 76 2.010 6.736 -17.683 601 HD2 LYS 76 HD2 LYS 76 4.371 6.883 -18.510 602 HD3 LYS 76 HD3 LYS 76 3.878 5.301 -17.932 603 HE2 LYS 76 HE2 LYS 76 5.154 4.857 -19.812 604 HE3 LYS 76 HE3 LYS 76 3.502 4.532 -20.261 605 HZ1 LYS 76 HZ1 LYS 76 4.614 5.700 -21.960 606 HZ2 LYS 76 HZ2 LYS 76 3.478 6.736 -21.390 607 HZ3 LYS 76 HZ3 LYS 76 5.066 6.940 -21.008 608 H LYS 77 H LYS 77 -1.550 6.723 -20.214 609 HA LYS 77 HA LYS 77 -1.415 9.357 -18.902 610 HB2 LYS 77 HB2 LYS 77 -2.951 8.305 -21.305 611 HB3 LYS 77 HB3 LYS 77 -3.235 9.916 -20.660 612 HG2 LYS 77 HG2 LYS 77 -0.545 8.893 -21.668 613 HG3 LYS 77 HG3 LYS 77 -1.661 9.910 -22.572 614 HD2 LYS 77 HD2 LYS 77 -0.133 10.695 -20.058 615 HD3 LYS 77 HD3 LYS 77 0.164 11.217 -21.707 616 HE2 LYS 77 HE2 LYS 77 -2.103 12.289 -21.752 617 HE3 LYS 77 HE3 LYS 77 -2.333 11.829 -20.069 618 HZ1 LYS 77 HZ1 LYS 77 -0.393 13.181 -19.490 619 HZ2 LYS 77 HZ2 LYS 77 -0.169 13.606 -21.049 620 HZ3 LYS 77 HZ3 LYS 77 -1.502 14.102 -20.254 621 H ILE 78 H ILE 78 -3.789 6.732 -18.770 622 HA ILE 78 HA ILE 78 -5.645 8.325 -17.196 623 HB ILE 78 HB ILE 78 -5.392 5.325 -17.448 624 HG12 ILE 78 HG12 ILE 78 -6.528 7.401 -19.188 625 HG13 ILE 78 HG13 ILE 78 -6.093 5.735 -19.500 626 HG21 ILE 78 HG21 ILE 78 -7.579 7.031 -16.186 627 HG22 ILE 78 HG22 ILE 78 -7.692 5.284 -16.466 628 HG23 ILE 78 HG23 ILE 78 -6.509 5.899 -15.330 629 HD11 ILE 78 HD11 ILE 78 -8.288 5.004 -18.550 630 HD12 ILE 78 HD12 ILE 78 -8.720 6.720 -18.373 631 HD13 ILE 78 HD13 ILE 78 -8.411 6.044 -19.985 632 H ILE 79 H ILE 79 -2.912 6.178 -16.229 633 HA ILE 79 HA ILE 79 -3.617 6.651 -13.422 634 HB ILE 79 HB ILE 79 -1.323 5.008 -14.511 635 HG12 ILE 79 HG12 ILE 79 -3.412 4.066 -15.361 636 HG13 ILE 79 HG13 ILE 79 -2.754 3.059 -14.101 637 HG21 ILE 79 HG21 ILE 79 -2.590 5.429 -11.784 638 HG22 ILE 79 HG22 ILE 79 -1.777 3.910 -12.152 639 HG23 ILE 79 HG23 ILE 79 -0.877 5.433 -12.261 640 HD11 ILE 79 HD11 ILE 79 -4.418 3.940 -12.482 641 HD12 ILE 79 HD12 ILE 79 -5.070 5.035 -13.723 642 HD13 ILE 79 HD13 ILE 79 -5.180 3.287 -13.942 643 H ALA 80 H ALA 80 -1.213 7.964 -15.650 644 HA ALA 80 HA ALA 80 0.616 8.960 -13.865 645 HB1 ALA 80 HB1 ALA 80 -0.453 10.237 -16.421 646 HB2 ALA 80 HB2 ALA 80 0.991 10.796 -15.557 647 HB3 ALA 80 HB3 ALA 80 0.968 9.167 -16.254 648 H ARG 81 H ARG 81 -2.581 10.334 -14.650 649 HA ARG 81 HA ARG 81 -2.166 12.447 -12.604 650 HB2 ARG 81 HB2 ARG 81 -3.866 13.692 -13.456 651 HB3 ARG 81 HB3 ARG 81 -3.106 13.048 -14.898 652 HG2 ARG 81 HG2 ARG 81 -5.590 11.836 -13.596 653 HG3 ARG 81 HG3 ARG 81 -5.653 13.107 -14.827 654 HD2 ARG 81 HD2 ARG 81 -4.497 11.617 -16.418 655 HD3 ARG 81 HD3 ARG 81 -4.469 10.339 -15.201 656 HE ARG 81 HE ARG 81 -7.042 10.588 -15.185 657 HH11 ARG 81 HH11 ARG 81 -5.154 10.804 -18.103 658 HH12 ARG 81 HH12 ARG 81 -6.565 10.827 -19.147 659 HH21 ARG 81 HH21 ARG 81 -8.793 10.425 -16.541 660 HH22 ARG 81 HH22 ARG 81 -8.558 10.484 -18.266 661 H ALA 82 H ALA 82 -3.681 9.337 -12.801 662 HA ALA 82 HA ALA 82 -5.650 9.626 -10.739 663 HB1 ALA 82 HB1 ALA 82 -5.334 7.599 -12.190 664 HB2 ALA 82 HB2 ALA 82 -3.825 7.256 -11.275 665 HB3 ALA 82 HB3 ALA 82 -5.379 7.223 -10.447 666 H GLY 83 H GLY 83 -2.211 9.676 -10.642 667 HA2 GLY 83 HA2 GLY 83 -1.252 10.926 -8.766 668 HA3 GLY 83 HA3 GLY 83 -2.287 10.013 -7.656 669 H ALA 84 H ALA 84 -0.620 8.283 -10.224 670 HA ALA 84 HA ALA 84 1.325 7.160 -8.252 671 HB1 ALA 84 HB1 ALA 84 0.785 4.975 -9.409 672 HB2 ALA 84 HB2 ALA 84 -0.527 5.661 -8.416 673 HB3 ALA 84 HB3 ALA 84 -0.573 5.805 -10.185 674 H LYS 85 H LYS 85 2.921 5.639 -9.460 675 HA LYS 85 HA LYS 85 4.039 7.117 -11.801 676 HB2 LYS 85 HB2 LYS 85 6.200 6.200 -11.181 677 HB3 LYS 85 HB3 LYS 85 5.479 7.162 -9.879 678 HG2 LYS 85 HG2 LYS 85 4.738 5.048 -8.767 679 HG3 LYS 85 HG3 LYS 85 5.410 4.114 -10.066 680 HD2 LYS 85 HD2 LYS 85 6.895 4.163 -8.087 681 HD3 LYS 85 HD3 LYS 85 7.698 4.854 -9.507 682 HE2 LYS 85 HE2 LYS 85 7.215 7.144 -8.675 683 HE3 LYS 85 HE3 LYS 85 6.481 6.455 -7.224 684 HZ1 LYS 85 HZ1 LYS 85 8.644 5.477 -6.693 685 HZ2 LYS 85 HZ2 LYS 85 9.322 6.101 -8.043 686 HZ3 LYS 85 HZ3 LYS 85 8.802 7.081 -6.861 687 H THR 86 H THR 86 3.967 6.275 -13.629 688 HA THR 86 HA THR 86 3.561 3.351 -13.988 689 HB THR 86 HB THR 86 2.809 5.376 -16.104 690 HG1 THR 86 HG1 THR 86 1.300 5.041 -13.749 691 HG21 THR 86 HG21 THR 86 1.828 2.680 -15.393 692 HG22 THR 86 HG22 THR 86 0.642 3.827 -16.014 693 HG23 THR 86 HG23 THR 86 2.109 3.462 -16.957 694 H ILE 87 H ILE 87 4.670 2.210 -15.422 695 HA ILE 87 HA ILE 87 6.737 3.605 -17.082 696 HB ILE 87 HB ILE 87 8.340 1.761 -16.438 697 HG12 ILE 87 HG12 ILE 87 6.672 0.267 -15.425 698 HG13 ILE 87 HG13 ILE 87 8.197 0.483 -14.562 699 HG21 ILE 87 HG21 ILE 87 7.597 3.863 -14.408 700 HG22 ILE 87 HG22 ILE 87 9.097 2.898 -14.419 701 HG23 ILE 87 HG23 ILE 87 8.728 3.992 -15.767 702 HD11 ILE 87 HD11 ILE 87 6.374 2.326 -13.393 703 HD12 ILE 87 HD12 ILE 87 5.490 0.819 -13.651 704 HD13 ILE 87 HD13 ILE 87 6.971 0.775 -12.715 705 H GLU 88 H GLU 88 7.784 2.112 -18.595 706 HA GLU 88 HA GLU 88 5.906 0.073 -19.695 707 HB2 GLU 88 HB2 GLU 88 7.194 2.369 -21.206 708 HB3 GLU 88 HB3 GLU 88 6.703 0.871 -22.009 709 HG2 GLU 88 HG2 GLU 88 4.380 1.188 -21.287 710 HG3 GLU 88 HG3 GLU 88 4.822 2.688 -20.476 711 H VAL 89 H VAL 89 7.125 -1.579 -18.873 712 HA VAL 89 HA VAL 89 9.982 -1.906 -19.578 713 HB VAL 89 HB VAL 89 10.023 -3.823 -18.285 714 HG11 VAL 89 HG11 VAL 89 8.139 -1.844 -16.910 715 HG12 VAL 89 HG12 VAL 89 8.961 -3.178 -16.107 716 HG13 VAL 89 HG13 VAL 89 9.912 -1.874 -16.853 717 HG21 VAL 89 HG21 VAL 89 8.008 -4.987 -19.065 718 HG22 VAL 89 HG22 VAL 89 8.061 -4.937 -17.306 719 HG23 VAL 89 HG23 VAL 89 6.988 -3.822 -18.176 720 H THR 90 H THR 90 10.716 -3.758 -20.875 721 HA THR 90 HA THR 90 8.824 -4.425 -23.105 722 HB THR 90 HB THR 90 10.897 -3.972 -24.571 723 HG1 THR 90 HG1 THR 90 12.319 -2.467 -23.642 724 HG21 THR 90 HG21 THR 90 9.530 -1.666 -23.120 725 HG22 THR 90 HG22 THR 90 10.496 -1.519 -24.604 726 HG23 THR 90 HG23 THR 90 8.998 -2.461 -24.617 727 H THR 91 H THR 91 9.608 -6.021 -24.652 728 HA THR 91 HA THR 91 10.874 -8.360 -23.393 729 HB THR 91 HB THR 91 10.319 -9.483 -25.545 730 HG1 THR 91 HG1 THR 91 9.004 -8.383 -26.977 731 HG21 THR 91 HG21 THR 91 7.915 -9.555 -25.205 732 HG22 THR 91 HG22 THR 91 8.726 -9.474 -23.631 733 HG23 THR 91 HG23 THR 91 7.945 -8.025 -24.305 734 H GLU 92 H GLU 92 12.608 -6.239 -23.504 735 HA GLU 92 HA GLU 92 14.753 -6.995 -25.391 736 HB2 GLU 92 HB2 GLU 92 13.316 -5.305 -26.528 737 HB3 GLU 92 HB3 GLU 92 13.465 -4.231 -25.147 738 HG2 GLU 92 HG2 GLU 92 14.840 -3.500 -27.005 739 HG3 GLU 92 HG3 GLU 92 15.834 -3.869 -25.615 740 H GLU 93 H GLU 93 16.828 -5.844 -24.742 741 HA GLU 93 HA GLU 93 17.427 -6.181 -22.010 742 HB2 GLU 93 HB2 GLU 93 18.870 -4.551 -24.134 743 HB3 GLU 93 HB3 GLU 93 19.555 -4.954 -22.564 744 HG2 GLU 93 HG2 GLU 93 18.715 -6.997 -24.666 745 HG3 GLU 93 HG3 GLU 93 20.349 -6.429 -24.394 746 H GLU 94 H GLU 94 16.007 -3.356 -23.457 747 HA GLU 94 HA GLU 94 16.646 -1.442 -21.388 748 HB2 GLU 94 HB2 GLU 94 14.380 -1.555 -23.416 749 HB3 GLU 94 HB3 GLU 94 14.699 -0.191 -22.334 750 HG2 GLU 94 HG2 GLU 94 17.025 -0.045 -23.290 751 HG3 GLU 94 HG3 GLU 94 16.578 -1.266 -24.475 752 H LEU 95 H LEU 95 14.678 -4.214 -21.220 753 HA LEU 95 HA LEU 95 12.631 -3.756 -19.449 754 HB2 LEU 95 HB2 LEU 95 13.242 -5.901 -20.343 755 HB3 LEU 95 HB3 LEU 95 14.777 -5.915 -19.507 756 HG LEU 95 HG LEU 95 13.080 -7.494 -18.677 757 HD11 LEU 95 HD11 LEU 95 13.781 -5.556 -16.453 758 HD12 LEU 95 HD12 LEU 95 13.488 -7.296 -16.361 759 HD13 LEU 95 HD13 LEU 95 14.932 -6.702 -17.193 760 HD21 LEU 95 HD21 LEU 95 11.078 -6.040 -18.926 761 HD22 LEU 95 HD22 LEU 95 11.203 -6.800 -17.329 762 HD23 LEU 95 HD23 LEU 95 11.643 -5.092 -17.520 763 H ARG 96 H ARG 96 16.069 -4.072 -18.482 764 HA ARG 96 HA ARG 96 15.756 -3.649 -15.688 765 HB2 ARG 96 HB2 ARG 96 17.765 -4.609 -16.634 766 HB3 ARG 96 HB3 ARG 96 18.091 -3.165 -17.577 767 HG2 ARG 96 HG2 ARG 96 19.592 -3.311 -15.658 768 HG3 ARG 96 HG3 ARG 96 18.592 -1.873 -15.577 769 HD2 ARG 96 HD2 ARG 96 18.791 -2.794 -13.389 770 HD3 ARG 96 HD3 ARG 96 17.116 -3.009 -13.905 771 HE ARG 96 HE ARG 96 18.428 -5.382 -14.617 772 HH11 ARG 96 HH11 ARG 96 17.838 -3.726 -11.577 773 HH12 ARG 96 HH12 ARG 96 17.955 -5.205 -10.650 774 HH21 ARG 96 HH21 ARG 96 18.555 -7.217 -13.384 775 HH22 ARG 96 HH22 ARG 96 18.327 -7.129 -11.657 776 H LYS 97 H LYS 97 16.567 -1.252 -18.203 777 HA LYS 97 HA LYS 97 16.717 1.042 -16.519 778 HB2 LYS 97 HB2 LYS 97 17.549 0.898 -18.867 779 HB3 LYS 97 HB3 LYS 97 15.892 0.824 -19.451 780 HG2 LYS 97 HG2 LYS 97 16.771 3.038 -19.778 781 HG3 LYS 97 HG3 LYS 97 15.476 3.112 -18.587 782 HD2 LYS 97 HD2 LYS 97 17.110 3.285 -16.760 783 HD3 LYS 97 HD3 LYS 97 18.448 3.038 -17.903 784 HE2 LYS 97 HE2 LYS 97 17.758 5.106 -19.113 785 HE3 LYS 97 HE3 LYS 97 16.474 5.363 -17.934 786 HZ1 LYS 97 HZ1 LYS 97 18.178 5.572 -16.211 787 HZ2 LYS 97 HZ2 LYS 97 19.372 5.307 -17.296 788 HZ3 LYS 97 HZ3 LYS 97 18.464 6.654 -17.396 789 H ALA 98 H ALA 98 13.920 -0.298 -18.314 790 HA ALA 98 HA ALA 98 12.048 1.685 -17.493 791 HB1 ALA 98 HB1 ALA 98 11.659 -1.214 -18.297 792 HB2 ALA 98 HB2 ALA 98 10.390 0.028 -18.213 793 HB3 ALA 98 HB3 ALA 98 11.708 0.185 -19.407 794 H VAL 99 H VAL 99 12.537 -1.669 -16.022 795 HA VAL 99 HA VAL 99 10.605 -1.277 -14.051 796 HB VAL 99 HB VAL 99 11.752 -2.922 -12.697 797 HG11 VAL 99 HG11 VAL 99 11.278 -3.724 -15.589 798 HG12 VAL 99 HG12 VAL 99 11.349 -4.845 -14.211 799 HG13 VAL 99 HG13 VAL 99 10.074 -3.629 -14.271 800 HG21 VAL 99 HG21 VAL 99 14.050 -2.703 -13.155 801 HG22 VAL 99 HG22 VAL 99 13.549 -4.317 -13.688 802 HG23 VAL 99 HG23 VAL 99 13.774 -3.016 -14.895 803 H ALA 100 H ALA 100 14.064 -0.629 -13.993 804 HA ALA 100 HA ALA 100 14.326 0.195 -11.300 805 HB1 ALA 100 HB1 ALA 100 15.907 1.153 -13.726 806 HB2 ALA 100 HB2 ALA 100 16.405 1.307 -12.028 807 HB3 ALA 100 HB3 ALA 100 16.247 -0.299 -12.761 808 H LYS 101 H LYS 101 13.323 2.116 -14.096 809 HA LYS 101 HA LYS 101 13.354 4.692 -13.097 810 HB2 LYS 101 HB2 LYS 101 12.853 3.745 -15.461 811 HB3 LYS 101 HB3 LYS 101 11.213 3.502 -14.920 812 HG2 LYS 101 HG2 LYS 101 11.331 5.530 -16.189 813 HG3 LYS 101 HG3 LYS 101 11.001 5.967 -14.511 814 HD2 LYS 101 HD2 LYS 101 13.404 6.574 -14.199 815 HD3 LYS 101 HD3 LYS 101 13.763 5.967 -15.814 816 HE2 LYS 101 HE2 LYS 101 13.676 8.335 -15.976 817 HE3 LYS 101 HE3 LYS 101 12.244 7.705 -16.782 818 HZ1 LYS 101 HZ1 LYS 101 11.720 9.591 -15.341 819 HZ2 LYS 101 HZ2 LYS 101 10.962 8.271 -14.769 820 HZ3 LYS 101 HZ3 LYS 101 12.306 8.831 -14.024 821 H ALA 102 H ALA 102 10.951 2.234 -12.296 822 HA ALA 102 HA ALA 102 9.746 4.167 -10.334 823 HB1 ALA 102 HB1 ALA 102 8.421 2.373 -12.316 824 HB2 ALA 102 HB2 ALA 102 7.539 3.037 -10.925 825 HB3 ALA 102 HB3 ALA 102 8.234 4.149 -12.143 826 H ARG 103 H ARG 103 9.656 0.653 -11.223 827 HA ARG 103 HA ARG 103 8.913 -0.236 -8.587 828 HB2 ARG 103 HB2 ARG 103 8.531 -1.470 -10.715 829 HB3 ARG 103 HB3 ARG 103 10.253 -1.782 -10.865 830 HG2 ARG 103 HG2 ARG 103 8.807 -2.613 -8.333 831 HG3 ARG 103 HG3 ARG 103 8.538 -3.539 -9.803 832 HD2 ARG 103 HD2 ARG 103 10.830 -4.124 -10.027 833 HD3 ARG 103 HD3 ARG 103 11.353 -3.023 -8.767 834 HE ARG 103 HE ARG 103 10.136 -5.672 -8.438 835 HH11 ARG 103 HH11 ARG 103 10.856 -2.680 -6.707 836 HH12 ARG 103 HH12 ARG 103 10.832 -3.486 -5.161 837 HH21 ARG 103 HH21 ARG 103 10.109 -6.601 -6.434 838 HH22 ARG 103 HH22 ARG 103 10.397 -5.635 -5.010 839 H GLY 104 H GLY 104 11.958 0.679 -9.924 840 HA2 GLY 104 HA2 GLY 104 13.495 -0.271 -7.556 841 HA3 GLY 104 HA3 GLY 104 14.140 0.686 -8.901 842 H SER 105 H SER 105 12.742 2.896 -9.132 843 HA SER 105 HA SER 105 13.891 4.536 -7.222 844 HB2 SER 105 HB2 SER 105 12.733 6.354 -8.122 845 HB3 SER 105 HB3 SER 105 12.996 5.226 -9.469 846 HG SER 105 HG SER 105 10.959 5.844 -9.648 847 H TRP 106 H TRP 106 10.464 3.624 -7.247 848 HA TRP 106 HA TRP 106 9.547 4.794 -4.917 849 HB2 TRP 106 HB2 TRP 106 8.399 3.255 -6.646 850 HB3 TRP 106 HB3 TRP 106 8.861 1.916 -5.634 851 HD1 TRP 106 HD1 TRP 106 6.160 4.342 -6.161 852 HE1 TRP 106 HE1 TRP 106 4.483 4.387 -4.305 853 HE3 TRP 106 HE3 TRP 106 8.714 1.552 -2.687 854 HZ2 TRP 106 HZ2 TRP 106 4.396 3.724 -1.476 855 HZ3 TRP 106 HZ3 TRP 106 7.793 1.272 -0.419 856 HH2 TRP 106 HH2 TRP 106 5.659 2.396 0.229 857 H SER 107 H SER 107 11.322 1.681 -4.967 858 HA SER 107 HA SER 107 11.219 1.368 -2.066 859 HB2 SER 107 HB2 SER 107 12.483 -0.597 -2.380 860 HB3 SER 107 HB3 SER 107 11.308 -0.523 -3.704 861 HG SER 107 HG SER 107 13.136 0.431 -4.951 862 H LEU 108 H LEU 108 13.145 3.191 -4.154 863 HA LEU 108 HA LEU 108 15.364 3.514 -2.287 864 HB2 LEU 108 HB2 LEU 108 14.793 3.864 -5.230 865 HB3 LEU 108 HB3 LEU 108 15.759 5.143 -4.556 866 HG LEU 108 HG LEU 108 16.335 2.132 -4.510 867 HD11 LEU 108 HD11 LEU 108 16.582 3.189 -6.723 868 HD12 LEU 108 HD12 LEU 108 17.675 4.405 -6.033 869 HD13 LEU 108 HD13 LEU 108 18.151 2.693 -6.070 870 HD21 LEU 108 HD21 LEU 108 17.332 3.055 -2.535 871 HD22 LEU 108 HD22 LEU 108 18.624 2.832 -3.725 872 HD23 LEU 108 HD23 LEU 108 17.957 4.462 -3.436 873 H GLU 109 H GLU 109 12.452 5.182 -3.182 874 HA GLU 109 HA GLU 109 13.312 7.808 -2.223 875 HB2 GLU 109 HB2 GLU 109 10.462 6.824 -2.588 876 HB3 GLU 109 HB3 GLU 109 11.026 8.498 -2.483 877 HG2 GLU 109 HG2 GLU 109 12.491 7.647 -4.634 878 HG3 GLU 109 HG3 GLU 109 11.124 6.557 -4.727 879 H HIS 110 H HIS 110 11.233 5.221 -0.915 880 HA HIS 110 HA HIS 110 10.757 6.707 1.581 881 HB2 HIS 110 HB2 HIS 110 9.685 4.074 0.508 882 HB3 HIS 110 HB3 HIS 110 9.163 4.834 2.006 883 HD2 HIS 110 HD2 HIS 110 8.603 4.960 -1.736 884 HE1 HIS 110 HE1 HIS 110 6.287 8.145 -0.121 885 HE2 HIS 110 HE2 HIS 110 6.755 6.765 -2.212 886 H HIS 111 H HIS 111 13.063 4.474 0.558 887 HA HIS 111 HA HIS 111 13.813 3.713 3.347 888 HB2 HIS 111 HB2 HIS 111 13.472 1.761 1.037 889 HB3 HIS 111 HB3 HIS 111 14.093 1.361 2.627 890 HD2 HIS 111 HD2 HIS 111 12.266 1.574 4.734 891 HE1 HIS 111 HE1 HIS 111 8.812 1.241 2.260 892 HE2 HIS 111 HE2 HIS 111 9.669 1.165 4.656 893 H HIS 112 H HIS 112 15.960 3.185 3.667 894 HA HIS 112 HA HIS 112 17.939 3.466 1.471 895 HB2 HIS 112 HB2 HIS 112 17.939 5.203 3.977 896 HB3 HIS 112 HB3 HIS 112 19.148 5.217 2.693 897 HD2 HIS 112 HD2 HIS 112 18.182 6.025 0.171 898 HE1 HIS 112 HE1 HIS 112 14.898 8.251 1.719 899 HE2 HIS 112 HE2 HIS 112 16.269 7.739 -0.358 900 H HIS 113 H HIS 113 20.241 3.222 2.478 901 HA HIS 113 HA HIS 113 20.213 1.024 4.517 902 HB2 HIS 113 HB2 HIS 113 21.317 1.068 1.728 903 HB3 HIS 113 HB3 HIS 113 22.270 0.268 2.963 904 HD2 HIS 113 HD2 HIS 113 21.508 -2.049 3.874 905 HE1 HIS 113 HE1 HIS 113 17.922 -2.476 1.617 906 HE2 HIS 113 HE2 HIS 113 19.546 -3.657 3.173 907 H HIS 114 H HIS 114 21.890 0.748 5.822 908 HA HIS 114 HA HIS 114 24.394 2.216 5.664 909 HB2 HIS 114 HB2 HIS 114 22.940 3.846 6.853 910 HB3 HIS 114 HB3 HIS 114 22.491 2.604 8.020 911 HD2 HIS 114 HD2 HIS 114 23.693 3.063 10.244 912 HE1 HIS 114 HE1 HIS 114 27.527 4.235 8.809 913 HE2 HIS 114 HE2 HIS 114 26.137 3.795 10.890 914 H HIS 115 H HIS 115 26.009 1.181 6.925 915 HA HIS 115 HA HIS 115 25.409 -1.064 8.686 916 HB2 HIS 115 HB2 HIS 115 25.228 -2.050 6.360 917 HB3 HIS 115 HB3 HIS 115 26.911 -1.617 6.090 918 HD2 HIS 115 HD2 HIS 115 24.871 -3.662 8.735 919 HE1 HIS 115 HE1 HIS 115 28.487 -5.785 7.991 920 HE2 HIS 115 HE2 HIS 115 26.290 -5.819 9.266 Start of MODEL 3 1 H1 MET 1 H1 MET 1 0.997 1.093 0.324 2 H2 MET 1 H2 MET 1 0.483 2.245 -0.726 3 H3 MET 1 H3 MET 1 1.950 2.389 -0.019 4 HA MET 1 HA MET 1 2.188 1.708 -2.293 5 HB2 MET 1 HB2 MET 1 3.796 0.885 -0.482 6 HB3 MET 1 HB3 MET 1 2.893 -0.622 -0.470 7 HG2 MET 1 HG2 MET 1 3.403 -0.829 -2.969 8 HG3 MET 1 HG3 MET 1 4.470 0.563 -2.796 9 HE1 MET 1 HE1 MET 1 6.672 -0.664 -3.641 10 HE2 MET 1 HE2 MET 1 7.058 -2.330 -3.181 11 HE3 MET 1 HE3 MET 1 5.560 -1.985 -4.075 12 H ARG 2 H ARG 2 1.348 0.635 -3.996 13 HA ARG 2 HA ARG 2 0.093 -1.988 -3.762 14 HB2 ARG 2 HB2 ARG 2 -1.860 -0.331 -3.553 15 HB3 ARG 2 HB3 ARG 2 -1.402 0.294 -5.119 16 HG2 ARG 2 HG2 ARG 2 -1.793 -1.877 -6.195 17 HG3 ARG 2 HG3 ARG 2 -1.991 -2.675 -4.634 18 HD2 ARG 2 HD2 ARG 2 -3.828 -0.579 -5.811 19 HD3 ARG 2 HD3 ARG 2 -4.096 -2.322 -5.899 20 HE ARG 2 HE ARG 2 -4.715 -0.568 -3.733 21 HH11 ARG 2 HH11 ARG 2 -3.835 -3.951 -4.281 22 HH12 ARG 2 HH12 ARG 2 -4.459 -4.428 -2.729 23 HH21 ARG 2 HH21 ARG 2 -5.474 -1.285 -1.786 24 HH22 ARG 2 HH22 ARG 2 -5.413 -2.982 -1.386 25 H VAL 3 H VAL 3 0.260 -3.131 -5.672 26 HA VAL 3 HA VAL 3 2.015 -1.899 -7.762 27 HB VAL 3 HB VAL 3 2.047 -4.717 -6.589 28 HG11 VAL 3 HG11 VAL 3 3.836 -3.515 -8.763 29 HG12 VAL 3 HG12 VAL 3 4.072 -5.090 -7.989 30 HG13 VAL 3 HG13 VAL 3 2.657 -4.824 -9.003 31 HG21 VAL 3 HG21 VAL 3 4.067 -2.432 -6.457 32 HG22 VAL 3 HG22 VAL 3 3.109 -3.086 -5.103 33 HG23 VAL 3 HG23 VAL 3 4.349 -4.080 -5.853 34 H ILE 4 H ILE 4 1.509 -2.207 -9.852 35 HA ILE 4 HA ILE 4 -0.481 -4.272 -10.630 36 HB ILE 4 HB ILE 4 -0.653 -1.326 -11.167 37 HG12 ILE 4 HG12 ILE 4 -2.356 -3.559 -9.989 38 HG13 ILE 4 HG13 ILE 4 -1.933 -2.026 -9.267 39 HG21 ILE 4 HG21 ILE 4 -2.053 -3.488 -12.775 40 HG22 ILE 4 HG22 ILE 4 -2.318 -1.727 -12.904 41 HG23 ILE 4 HG23 ILE 4 -0.767 -2.376 -13.364 42 HD11 ILE 4 HD11 ILE 4 -4.015 -2.596 -11.404 43 HD12 ILE 4 HD12 ILE 4 -4.274 -1.959 -9.767 44 HD13 ILE 4 HD13 ILE 4 -3.455 -0.959 -11.012 45 H VAL 5 H VAL 5 -0.144 -5.174 -12.508 46 HA VAL 5 HA VAL 5 2.072 -4.166 -14.220 47 HB VAL 5 HB VAL 5 1.639 -7.121 -13.714 48 HG11 VAL 5 HG11 VAL 5 2.472 -6.549 -16.007 49 HG12 VAL 5 HG12 VAL 5 3.789 -5.610 -15.281 50 HG13 VAL 5 HG13 VAL 5 3.705 -7.370 -15.050 51 HG21 VAL 5 HG21 VAL 5 3.880 -5.297 -12.767 52 HG22 VAL 5 HG22 VAL 5 2.698 -6.128 -11.738 53 HG23 VAL 5 HG23 VAL 5 3.869 -7.077 -12.653 54 H VAL 6 H VAL 6 1.165 -3.443 -15.987 55 HA VAL 6 HA VAL 6 -1.237 -4.872 -17.099 56 HB VAL 6 HB VAL 6 -0.256 -2.108 -17.839 57 HG11 VAL 6 HG11 VAL 6 -2.631 -1.999 -18.772 58 HG12 VAL 6 HG12 VAL 6 -1.515 -3.043 -19.648 59 HG13 VAL 6 HG13 VAL 6 -2.714 -3.759 -18.547 60 HG21 VAL 6 HG21 VAL 6 -1.036 -1.940 -15.571 61 HG22 VAL 6 HG22 VAL 6 -2.349 -1.361 -16.587 62 HG23 VAL 6 HG23 VAL 6 -2.439 -2.994 -15.898 63 H ILE 7 H ILE 7 -1.120 -5.698 -19.199 64 HA ILE 7 HA ILE 7 1.503 -5.458 -20.628 65 HB ILE 7 HB ILE 7 -0.058 -8.040 -20.325 66 HG12 ILE 7 HG12 ILE 7 2.193 -8.734 -19.139 67 HG13 ILE 7 HG13 ILE 7 2.329 -7.019 -18.768 68 HG21 ILE 7 HG21 ILE 7 2.532 -7.322 -21.744 69 HG22 ILE 7 HG22 ILE 7 2.112 -8.982 -21.303 70 HG23 ILE 7 HG23 ILE 7 1.067 -8.079 -22.396 71 HD11 ILE 7 HD11 ILE 7 -0.121 -8.708 -18.058 72 HD12 ILE 7 HD12 ILE 7 1.270 -8.525 -16.978 73 HD13 ILE 7 HD13 ILE 7 0.312 -7.110 -17.425 74 H VAL 8 H VAL 8 1.414 -5.129 -22.825 75 HA VAL 8 HA VAL 8 -1.178 -4.887 -24.147 76 HB VAL 8 HB VAL 8 1.563 -4.903 -25.464 77 HG11 VAL 8 HG11 VAL 8 0.354 -3.690 -27.266 78 HG12 VAL 8 HG12 VAL 8 -0.385 -5.269 -26.998 79 HG13 VAL 8 HG13 VAL 8 -1.160 -3.823 -26.341 80 HG21 VAL 8 HG21 VAL 8 1.458 -3.060 -23.820 81 HG22 VAL 8 HG22 VAL 8 1.336 -2.428 -25.461 82 HG23 VAL 8 HG23 VAL 8 -0.122 -2.561 -24.452 83 H GLY 9 H GLY 9 -2.338 -6.671 -24.491 84 HA2 GLY 9 HA2 GLY 9 -1.312 -8.996 -25.919 85 HA3 GLY 9 HA3 GLY 9 -1.648 -9.310 -24.213 86 HA PRO 10 HA PRO 10 -2.470 -11.518 -25.441 87 HB2 PRO 10 HB2 PRO 10 -3.680 -13.055 -27.349 88 HB3 PRO 10 HB3 PRO 10 -4.398 -12.764 -25.740 89 HG2 PRO 10 HG2 PRO 10 -4.964 -11.261 -28.321 90 HG3 PRO 10 HG3 PRO 10 -6.156 -12.020 -27.215 91 HD2 PRO 10 HD2 PRO 10 -5.557 -9.380 -27.049 92 HD3 PRO 10 HD3 PRO 10 -5.810 -10.343 -25.572 93 H SER 11 H SER 11 -2.680 -9.265 -28.010 94 HA SER 11 HA SER 11 -0.125 -10.314 -29.162 95 HB2 SER 11 HB2 SER 11 -2.457 -9.082 -30.678 96 HB3 SER 11 HB3 SER 11 -0.847 -9.380 -31.362 97 HG SER 11 HG SER 11 -2.437 -11.053 -31.755 98 H GLY 12 H GLY 12 1.429 -8.795 -29.540 99 HA2 GLY 12 HA2 GLY 12 1.523 -6.260 -30.208 100 HA3 GLY 12 HA3 GLY 12 1.016 -6.021 -28.534 101 H ALA 13 H ALA 13 2.583 -8.153 -27.393 102 HA ALA 13 HA ALA 13 5.419 -7.333 -27.928 103 HB1 ALA 13 HB1 ALA 13 4.088 -7.719 -25.208 104 HB2 ALA 13 HB2 ALA 13 5.776 -7.261 -25.504 105 HB3 ALA 13 HB3 ALA 13 4.468 -6.157 -25.965 106 H GLY 14 H GLY 14 3.258 -9.981 -27.320 107 HA2 GLY 14 HA2 GLY 14 4.768 -11.994 -28.403 108 HA3 GLY 14 HA3 GLY 14 5.237 -12.019 -26.699 109 H LYS 15 H LYS 15 4.053 -14.255 -27.578 110 HA LYS 15 HA LYS 15 1.124 -14.105 -26.979 111 HB2 LYS 15 HB2 LYS 15 2.706 -16.356 -28.263 112 HB3 LYS 15 HB3 LYS 15 0.959 -16.228 -28.150 113 HG2 LYS 15 HG2 LYS 15 2.798 -14.488 -29.832 114 HG3 LYS 15 HG3 LYS 15 1.656 -15.709 -30.377 115 HD2 LYS 15 HD2 LYS 15 -0.231 -14.296 -29.486 116 HD3 LYS 15 HD3 LYS 15 0.955 -13.063 -29.032 117 HE2 LYS 15 HE2 LYS 15 0.040 -12.356 -31.082 118 HE3 LYS 15 HE3 LYS 15 1.673 -12.900 -31.423 119 HZ1 LYS 15 HZ1 LYS 15 0.063 -13.730 -33.059 120 HZ2 LYS 15 HZ2 LYS 15 0.709 -14.996 -32.256 121 HZ3 LYS 15 HZ3 LYS 15 -0.798 -14.484 -31.900 122 H THR 16 H THR 16 4.001 -15.480 -25.611 123 HA THR 16 HA THR 16 2.358 -16.724 -23.409 124 HB THR 16 HB THR 16 5.113 -17.597 -24.311 125 HG1 THR 16 HG1 THR 16 3.641 -18.139 -25.882 126 HG21 THR 16 HG21 THR 16 3.085 -18.811 -22.381 127 HG22 THR 16 HG22 THR 16 4.496 -19.677 -23.027 128 HG23 THR 16 HG23 THR 16 4.726 -18.257 -22.003 129 H THR 17 H THR 17 4.858 -14.406 -24.162 130 HA THR 17 HA THR 17 6.151 -14.064 -21.700 131 HB THR 17 HB THR 17 6.728 -12.922 -23.791 132 HG1 THR 17 HG1 THR 17 7.364 -11.062 -22.722 133 HG21 THR 17 HG21 THR 17 4.318 -12.121 -24.304 134 HG22 THR 17 HG22 THR 17 4.612 -10.848 -23.108 135 HG23 THR 17 HG23 THR 17 5.637 -10.949 -24.551 136 H LEU 18 H LEU 18 3.048 -12.517 -22.687 137 HA LEU 18 HA LEU 18 2.487 -11.176 -20.263 138 HB2 LEU 18 HB2 LEU 18 0.234 -10.987 -21.161 139 HB3 LEU 18 HB3 LEU 18 1.399 -10.815 -22.461 140 HG LEU 18 HG LEU 18 0.941 -13.447 -22.790 141 HD11 LEU 18 HD11 LEU 18 -1.416 -14.003 -22.483 142 HD12 LEU 18 HD12 LEU 18 -0.737 -13.622 -20.899 143 HD13 LEU 18 HD13 LEU 18 -1.750 -12.435 -21.747 144 HD21 LEU 18 HD21 LEU 18 -0.947 -11.275 -23.717 145 HD22 LEU 18 HD22 LEU 18 0.616 -11.669 -24.465 146 HD23 LEU 18 HD23 LEU 18 -0.688 -12.860 -24.498 147 H ASP 19 H ASP 19 2.322 -14.488 -20.958 148 HA ASP 19 HA ASP 19 0.250 -15.199 -18.982 149 HB2 ASP 19 HB2 ASP 19 1.188 -16.297 -21.347 150 HB3 ASP 19 HB3 ASP 19 1.969 -17.326 -20.173 151 H GLU 20 H GLU 20 3.661 -16.120 -19.564 152 HA GLU 20 HA GLU 20 4.167 -17.085 -16.961 153 HB2 GLU 20 HB2 GLU 20 6.454 -17.123 -17.516 154 HB3 GLU 20 HB3 GLU 20 5.560 -17.513 -18.988 155 HG2 GLU 20 HG2 GLU 20 5.945 -15.295 -19.888 156 HG3 GLU 20 HG3 GLU 20 6.700 -14.756 -18.387 157 H LEU 21 H LEU 21 4.145 -13.808 -18.236 158 HA LEU 21 HA LEU 21 5.338 -12.461 -15.942 159 HB2 LEU 21 HB2 LEU 21 3.678 -11.703 -18.322 160 HB3 LEU 21 HB3 LEU 21 3.651 -10.605 -16.986 161 HG LEU 21 HG LEU 21 5.338 -10.294 -18.950 162 HD11 LEU 21 HD11 LEU 21 6.137 -9.960 -16.029 163 HD12 LEU 21 HD12 LEU 21 6.828 -9.055 -17.401 164 HD13 LEU 21 HD13 LEU 21 5.123 -8.842 -16.971 165 HD21 LEU 21 HD21 LEU 21 7.123 -11.951 -17.109 166 HD22 LEU 21 HD22 LEU 21 6.585 -12.460 -18.727 167 HD23 LEU 21 HD23 LEU 21 7.607 -11.042 -18.555 168 H ALA 22 H ALA 22 1.851 -12.837 -16.890 169 HA ALA 22 HA ALA 22 0.861 -11.807 -14.498 170 HB1 ALA 22 HB1 ALA 22 -1.263 -12.912 -15.122 171 HB2 ALA 22 HB2 ALA 22 -0.497 -12.123 -16.511 172 HB3 ALA 22 HB3 ALA 22 -0.385 -13.891 -16.325 173 H ARG 23 H ARG 23 1.619 -15.193 -15.268 174 HA ARG 23 HA ARG 23 0.856 -16.458 -12.839 175 HB2 ARG 23 HB2 ARG 23 3.030 -17.072 -14.876 176 HB3 ARG 23 HB3 ARG 23 2.626 -18.155 -13.543 177 HG2 ARG 23 HG2 ARG 23 0.455 -18.616 -14.390 178 HG3 ARG 23 HG3 ARG 23 0.473 -17.242 -15.492 179 HD2 ARG 23 HD2 ARG 23 0.792 -19.267 -16.767 180 HD3 ARG 23 HD3 ARG 23 2.251 -18.307 -16.848 181 HE ARG 23 HE ARG 23 3.425 -19.927 -15.607 182 HH11 ARG 23 HH11 ARG 23 0.029 -20.842 -15.645 183 HH12 ARG 23 HH12 ARG 23 0.368 -22.438 -15.020 184 HH21 ARG 23 HH21 ARG 23 3.773 -21.996 -14.846 185 HH22 ARG 23 HH22 ARG 23 2.418 -23.067 -14.596 186 H LYS 24 H LYS 24 4.237 -15.512 -13.726 187 HA LYS 24 HA LYS 24 5.244 -16.068 -11.111 188 HB2 LYS 24 HB2 LYS 24 6.368 -14.441 -13.425 189 HB3 LYS 24 HB3 LYS 24 7.241 -14.684 -11.908 190 HG2 LYS 24 HG2 LYS 24 7.139 -17.112 -12.142 191 HG3 LYS 24 HG3 LYS 24 6.229 -16.978 -13.651 192 HD2 LYS 24 HD2 LYS 24 9.032 -15.843 -13.257 193 HD3 LYS 24 HD3 LYS 24 8.698 -17.463 -13.875 194 HE2 LYS 24 HE2 LYS 24 7.359 -16.498 -15.722 195 HE3 LYS 24 HE3 LYS 24 7.763 -14.869 -15.180 196 HZ1 LYS 24 HZ1 LYS 24 9.807 -16.886 -15.949 197 HZ2 LYS 24 HZ2 LYS 24 9.217 -15.810 -16.989 198 HZ3 LYS 24 HZ3 LYS 24 10.064 -15.294 -15.689 199 H ALA 25 H ALA 25 4.250 -12.933 -12.518 200 HA ALA 25 HA ALA 25 4.867 -11.331 -10.218 201 HB1 ALA 25 HB1 ALA 25 2.682 -10.921 -12.300 202 HB2 ALA 25 HB2 ALA 25 3.369 -9.707 -11.200 203 HB3 ALA 25 HB3 ALA 25 4.380 -10.411 -12.464 204 H LYS 26 H LYS 26 1.490 -12.673 -11.047 205 HA LYS 26 HA LYS 26 0.636 -11.829 -8.486 206 HB2 LYS 26 HB2 LYS 26 -0.796 -12.493 -10.539 207 HB3 LYS 26 HB3 LYS 26 -0.602 -14.162 -9.982 208 HG2 LYS 26 HG2 LYS 26 -2.584 -13.609 -8.904 209 HG3 LYS 26 HG3 LYS 26 -1.434 -13.128 -7.659 210 HD2 LYS 26 HD2 LYS 26 -1.578 -10.778 -8.973 211 HD3 LYS 26 HD3 LYS 26 -3.165 -11.445 -9.435 212 HE2 LYS 26 HE2 LYS 26 -3.087 -12.095 -6.783 213 HE3 LYS 26 HE3 LYS 26 -2.000 -10.705 -6.781 214 HZ1 LYS 26 HZ1 LYS 26 -4.803 -10.624 -7.797 215 HZ2 LYS 26 HZ2 LYS 26 -4.330 -10.114 -6.314 216 HZ3 LYS 26 HZ3 LYS 26 -3.763 -9.360 -7.639 217 H GLU 27 H GLU 27 2.251 -14.893 -9.341 218 HA GLU 27 HA GLU 27 1.828 -16.212 -6.820 219 HB2 GLU 27 HB2 GLU 27 3.962 -16.399 -8.966 220 HB3 GLU 27 HB3 GLU 27 4.163 -17.233 -7.440 221 HG2 GLU 27 HG2 GLU 27 1.971 -18.366 -7.739 222 HG3 GLU 27 HG3 GLU 27 1.770 -17.588 -9.305 223 H GLU 28 H GLU 28 4.520 -14.010 -7.800 224 HA GLU 28 HA GLU 28 5.566 -14.062 -5.055 225 HB2 GLU 28 HB2 GLU 28 7.453 -12.985 -5.852 226 HB3 GLU 28 HB3 GLU 28 7.000 -14.142 -7.105 227 HG2 GLU 28 HG2 GLU 28 5.826 -12.115 -8.255 228 HG3 GLU 28 HG3 GLU 28 6.724 -11.121 -7.126 229 H VAL 29 H VAL 29 3.468 -11.978 -6.794 230 HA VAL 29 HA VAL 29 3.216 -10.139 -4.484 231 HB VAL 29 HB VAL 29 2.906 -8.219 -5.893 232 HG11 VAL 29 HG11 VAL 29 5.606 -9.422 -6.501 233 HG12 VAL 29 HG12 VAL 29 5.191 -7.710 -6.338 234 HG13 VAL 29 HG13 VAL 29 5.161 -8.756 -4.899 235 HG21 VAL 29 HG21 VAL 29 2.449 -9.494 -8.088 236 HG22 VAL 29 HG22 VAL 29 3.502 -8.056 -8.185 237 HG23 VAL 29 HG23 VAL 29 4.202 -9.692 -8.202 238 HA PRO 30 HA PRO 30 -0.839 -12.020 -5.613 239 HB2 PRO 30 HB2 PRO 30 -1.518 -12.690 -3.020 240 HB3 PRO 30 HB3 PRO 30 -0.566 -13.748 -4.114 241 HG2 PRO 30 HG2 PRO 30 0.405 -11.839 -1.972 242 HG3 PRO 30 HG3 PRO 30 0.917 -13.535 -2.258 243 HD2 PRO 30 HD2 PRO 30 2.353 -11.408 -3.193 244 HD3 PRO 30 HD3 PRO 30 2.198 -12.906 -4.163 245 H ASP 31 H ASP 31 0.287 -9.383 -3.882 246 HA ASP 31 HA ASP 31 -2.309 -8.224 -3.027 247 HB2 ASP 31 HB2 ASP 31 -0.062 -8.041 -1.794 248 HB3 ASP 31 HB3 ASP 31 0.495 -7.029 -3.102 249 H ALA 32 H ALA 32 -0.130 -8.251 -5.699 250 HA ALA 32 HA ALA 32 -0.815 -5.657 -6.781 251 HB1 ALA 32 HB1 ALA 32 1.454 -6.797 -6.951 252 HB2 ALA 32 HB2 ALA 32 0.715 -7.975 -8.055 253 HB3 ALA 32 HB3 ALA 32 0.799 -6.276 -8.531 254 H GLU 33 H GLU 33 -1.572 -5.420 -9.112 255 HA GLU 33 HA GLU 33 -3.567 -7.567 -9.811 256 HB2 GLU 33 HB2 GLU 33 -3.975 -4.815 -10.841 257 HB3 GLU 33 HB3 GLU 33 -5.120 -6.081 -10.530 258 HG2 GLU 33 HG2 GLU 33 -3.731 -4.458 -8.361 259 HG3 GLU 33 HG3 GLU 33 -5.289 -4.087 -9.061 260 H ILE 34 H ILE 34 -2.854 -8.743 -11.440 261 HA ILE 34 HA ILE 34 -1.269 -7.441 -13.551 262 HB ILE 34 HB ILE 34 -1.536 -10.417 -13.278 263 HG12 ILE 34 HG12 ILE 34 -1.065 -9.841 -11.004 264 HG13 ILE 34 HG13 ILE 34 0.302 -10.582 -11.760 265 HG21 ILE 34 HG21 ILE 34 0.241 -8.410 -14.614 266 HG22 ILE 34 HG22 ILE 34 1.044 -9.831 -13.965 267 HG23 ILE 34 HG23 ILE 34 -0.296 -9.986 -15.144 268 HD11 ILE 34 HD11 ILE 34 1.490 -8.441 -11.879 269 HD12 ILE 34 HD12 ILE 34 0.084 -7.566 -11.267 270 HD13 ILE 34 HD13 ILE 34 0.896 -8.762 -10.226 271 H ARG 35 H ARG 35 -2.186 -7.018 -15.447 272 HA ARG 35 HA ARG 35 -4.250 -8.793 -16.597 273 HB2 ARG 35 HB2 ARG 35 -5.839 -6.927 -17.047 274 HB3 ARG 35 HB3 ARG 35 -5.747 -7.363 -15.367 275 HG2 ARG 35 HG2 ARG 35 -4.156 -5.027 -16.492 276 HG3 ARG 35 HG3 ARG 35 -5.840 -4.942 -15.945 277 HD2 ARG 35 HD2 ARG 35 -4.744 -6.227 -13.827 278 HD3 ARG 35 HD3 ARG 35 -3.356 -5.314 -14.347 279 HE ARG 35 HE ARG 35 -4.731 -3.238 -13.983 280 HH11 ARG 35 HH11 ARG 35 -6.472 -6.145 -12.974 281 HH12 ARG 35 HH12 ARG 35 -7.609 -5.143 -12.079 282 HH21 ARG 35 HH21 ARG 35 -6.269 -2.166 -12.753 283 HH22 ARG 35 HH22 ARG 35 -7.448 -3.171 -11.898 284 H THR 36 H THR 36 -5.038 -8.030 -18.781 285 HA THR 36 HA THR 36 -2.824 -6.701 -20.237 286 HB THR 36 HB THR 36 -2.914 -8.239 -22.038 287 HG1 THR 36 HG1 THR 36 -4.400 -9.953 -22.043 288 HG21 THR 36 HG21 THR 36 -3.146 -10.201 -19.741 289 HG22 THR 36 HG22 THR 36 -2.044 -10.196 -21.138 290 HG23 THR 36 HG23 THR 36 -1.801 -9.064 -19.806 291 H VAL 37 H VAL 37 -3.336 -5.843 -22.341 292 HA VAL 37 HA VAL 37 -6.163 -5.137 -22.909 293 HB VAL 37 HB VAL 37 -6.062 -3.014 -22.603 294 HG11 VAL 37 HG11 VAL 37 -5.248 -3.530 -20.454 295 HG12 VAL 37 HG12 VAL 37 -3.545 -3.393 -21.011 296 HG13 VAL 37 HG13 VAL 37 -4.622 -1.966 -21.023 297 HG21 VAL 37 HG21 VAL 37 -3.332 -2.884 -23.799 298 HG22 VAL 37 HG22 VAL 37 -4.963 -2.358 -24.395 299 HG23 VAL 37 HG23 VAL 37 -4.158 -1.495 -23.071 300 H THR 38 H THR 38 -6.610 -4.660 -24.958 301 HA THR 38 HA THR 38 -4.450 -5.095 -27.012 302 HB THR 38 HB THR 38 -5.797 -7.093 -26.637 303 HG1 THR 38 HG1 THR 38 -6.077 -5.831 -29.141 304 HG21 THR 38 HG21 THR 38 -8.104 -7.234 -27.399 305 HG22 THR 38 HG22 THR 38 -7.933 -6.106 -26.046 306 HG23 THR 38 HG23 THR 38 -8.155 -5.479 -27.690 307 H THR 39 H THR 39 -6.997 -3.058 -26.015 308 HA THR 39 HA THR 39 -6.697 -1.251 -28.332 309 HB THR 39 HB THR 39 -9.339 -1.105 -28.268 310 HG1 THR 39 HG1 THR 39 -10.212 -3.216 -27.996 311 HG21 THR 39 HG21 THR 39 -9.612 -2.607 -30.084 312 HG22 THR 39 HG22 THR 39 -8.047 -1.793 -30.264 313 HG23 THR 39 HG23 THR 39 -8.109 -3.479 -29.694 314 H LYS 40 H LYS 40 -7.995 0.734 -28.041 315 HA LYS 40 HA LYS 40 -7.184 2.153 -25.814 316 HB2 LYS 40 HB2 LYS 40 -8.485 3.928 -26.600 317 HB3 LYS 40 HB3 LYS 40 -8.008 3.050 -28.035 318 HG2 LYS 40 HG2 LYS 40 -10.743 3.063 -26.701 319 HG3 LYS 40 HG3 LYS 40 -10.279 3.926 -28.152 320 HD2 LYS 40 HD2 LYS 40 -9.986 1.780 -29.373 321 HD3 LYS 40 HD3 LYS 40 -10.485 0.891 -27.917 322 HE2 LYS 40 HE2 LYS 40 -12.632 2.233 -27.940 323 HE3 LYS 40 HE3 LYS 40 -12.147 2.889 -29.498 324 HZ1 LYS 40 HZ1 LYS 40 -12.692 0.024 -28.898 325 HZ2 LYS 40 HZ2 LYS 40 -13.580 0.996 -29.832 326 HZ3 LYS 40 HZ3 LYS 40 -12.094 0.547 -30.326 327 H GLU 41 H GLU 41 -10.055 0.235 -26.158 328 HA GLU 41 HA GLU 41 -11.505 1.312 -23.883 329 HB2 GLU 41 HB2 GLU 41 -13.069 -0.554 -24.351 330 HB3 GLU 41 HB3 GLU 41 -12.692 0.451 -25.770 331 HG2 GLU 41 HG2 GLU 41 -11.036 -1.262 -26.509 332 HG3 GLU 41 HG3 GLU 41 -11.548 -2.312 -25.194 333 H ASP 42 H ASP 42 -9.563 -1.627 -24.473 334 HA ASP 42 HA ASP 42 -9.891 -2.723 -21.795 335 HB2 ASP 42 HB2 ASP 42 -7.922 -3.215 -24.029 336 HB3 ASP 42 HB3 ASP 42 -7.888 -4.029 -22.491 337 H ALA 43 H ALA 43 -7.515 -0.598 -23.342 338 HA ALA 43 HA ALA 43 -5.846 -0.312 -20.990 339 HB1 ALA 43 HB1 ALA 43 -5.178 1.822 -22.146 340 HB2 ALA 43 HB2 ALA 43 -5.042 0.350 -23.127 341 HB3 ALA 43 HB3 ALA 43 -6.402 1.467 -23.397 342 H LYS 44 H LYS 44 -8.722 1.479 -22.118 343 HA LYS 44 HA LYS 44 -8.706 3.361 -19.961 344 HB2 LYS 44 HB2 LYS 44 -9.903 3.768 -22.025 345 HB3 LYS 44 HB3 LYS 44 -11.079 2.489 -21.653 346 HG2 LYS 44 HG2 LYS 44 -12.013 3.694 -19.866 347 HG3 LYS 44 HG3 LYS 44 -10.535 4.616 -19.562 348 HD2 LYS 44 HD2 LYS 44 -10.903 5.832 -21.738 349 HD3 LYS 44 HD3 LYS 44 -12.519 5.075 -21.804 350 HE2 LYS 44 HE2 LYS 44 -12.976 6.038 -19.525 351 HE3 LYS 44 HE3 LYS 44 -11.386 6.783 -19.542 352 HZ1 LYS 44 HZ1 LYS 44 -12.111 8.099 -21.490 353 HZ2 LYS 44 HZ2 LYS 44 -13.577 7.390 -21.463 354 HZ3 LYS 44 HZ3 LYS 44 -13.117 8.349 -20.234 355 H ARG 45 H ARG 45 -10.434 0.313 -20.342 356 HA ARG 45 HA ARG 45 -11.828 -0.005 -17.913 357 HB2 ARG 45 HB2 ARG 45 -12.190 -1.407 -19.811 358 HB3 ARG 45 HB3 ARG 45 -10.492 -1.818 -19.912 359 HG2 ARG 45 HG2 ARG 45 -10.757 -3.139 -17.745 360 HG3 ARG 45 HG3 ARG 45 -12.508 -2.922 -17.951 361 HD2 ARG 45 HD2 ARG 45 -12.303 -3.913 -20.246 362 HD3 ARG 45 HD3 ARG 45 -10.557 -4.072 -20.010 363 HE ARG 45 HE ARG 45 -12.030 -5.380 -17.911 364 HH11 ARG 45 HH11 ARG 45 -10.914 -5.989 -21.226 365 HH12 ARG 45 HH12 ARG 45 -10.965 -7.707 -20.987 366 HH21 ARG 45 HH21 ARG 45 -12.005 -7.581 -17.721 367 HH22 ARG 45 HH22 ARG 45 -11.558 -8.572 -19.090 368 H VAL 46 H VAL 46 -8.561 -1.325 -18.678 369 HA VAL 46 HA VAL 46 -8.070 -2.342 -16.073 370 HB VAL 46 HB VAL 46 -6.403 -1.604 -18.517 371 HG11 VAL 46 HG11 VAL 46 -4.835 -1.268 -16.864 372 HG12 VAL 46 HG12 VAL 46 -5.397 -2.666 -15.899 373 HG13 VAL 46 HG13 VAL 46 -4.547 -2.904 -17.460 374 HG21 VAL 46 HG21 VAL 46 -7.810 -3.581 -18.807 375 HG22 VAL 46 HG22 VAL 46 -6.174 -4.183 -18.505 376 HG23 VAL 46 HG23 VAL 46 -7.398 -4.199 -17.217 377 H ALA 47 H ALA 47 -7.269 0.826 -17.518 378 HA ALA 47 HA ALA 47 -5.736 1.564 -15.188 379 HB1 ALA 47 HB1 ALA 47 -6.813 3.364 -17.386 380 HB2 ALA 47 HB2 ALA 47 -5.352 3.581 -16.350 381 HB3 ALA 47 HB3 ALA 47 -5.405 2.325 -17.604 382 H GLU 48 H GLU 48 -8.978 2.603 -16.436 383 HA GLU 48 HA GLU 48 -9.699 4.162 -14.191 384 HB2 GLU 48 HB2 GLU 48 -11.858 4.189 -15.001 385 HB3 GLU 48 HB3 GLU 48 -10.862 4.065 -16.450 386 HG2 GLU 48 HG2 GLU 48 -11.282 1.561 -16.423 387 HG3 GLU 48 HG3 GLU 48 -12.290 1.757 -15.037 388 H GLU 49 H GLU 49 -9.371 0.689 -14.462 389 HA GLU 49 HA GLU 49 -10.831 0.172 -11.950 390 HB2 GLU 49 HB2 GLU 49 -10.079 -1.579 -13.929 391 HB3 GLU 49 HB3 GLU 49 -8.696 -1.713 -12.900 392 HG2 GLU 49 HG2 GLU 49 -10.376 -2.009 -10.926 393 HG3 GLU 49 HG3 GLU 49 -11.595 -2.278 -12.169 394 H ALA 50 H ALA 50 -7.387 0.348 -12.931 395 HA ALA 50 HA ALA 50 -6.217 -0.146 -10.399 396 HB1 ALA 50 HB1 ALA 50 -4.920 -0.202 -12.459 397 HB2 ALA 50 HB2 ALA 50 -5.276 1.524 -12.747 398 HB3 ALA 50 HB3 ALA 50 -4.262 1.053 -11.369 399 H GLU 51 H GLU 51 -7.564 2.899 -11.667 400 HA GLU 51 HA GLU 51 -6.419 4.433 -9.436 401 HB2 GLU 51 HB2 GLU 51 -7.504 6.345 -10.381 402 HB3 GLU 51 HB3 GLU 51 -6.831 5.357 -11.680 403 HG2 GLU 51 HG2 GLU 51 -8.759 5.459 -12.725 404 HG3 GLU 51 HG3 GLU 51 -9.475 4.446 -11.480 405 H ARG 52 H ARG 52 -9.055 2.443 -9.710 406 HA ARG 52 HA ARG 52 -10.743 3.662 -7.601 407 HB2 ARG 52 HB2 ARG 52 -10.833 0.737 -8.408 408 HB3 ARG 52 HB3 ARG 52 -12.105 1.709 -7.689 409 HG2 ARG 52 HG2 ARG 52 -10.948 1.898 -10.467 410 HG3 ARG 52 HG3 ARG 52 -12.561 1.308 -10.059 411 HD2 ARG 52 HD2 ARG 52 -11.526 4.154 -9.814 412 HD3 ARG 52 HD3 ARG 52 -12.685 3.572 -11.005 413 HE ARG 52 HE ARG 52 -14.079 3.014 -8.809 414 HH11 ARG 52 HH11 ARG 52 -12.260 5.981 -9.446 415 HH12 ARG 52 HH12 ARG 52 -13.343 6.939 -8.478 416 HH21 ARG 52 HH21 ARG 52 -15.370 4.319 -7.550 417 HH22 ARG 52 HH22 ARG 52 -15.041 6.028 -7.444 418 H ARG 53 H ARG 53 -8.208 1.305 -7.775 419 HA ARG 53 HA ARG 53 -8.202 0.864 -4.821 420 HB2 ARG 53 HB2 ARG 53 -7.112 -1.259 -5.318 421 HB3 ARG 53 HB3 ARG 53 -8.622 -1.122 -6.216 422 HG2 ARG 53 HG2 ARG 53 -6.631 -0.084 -7.977 423 HG3 ARG 53 HG3 ARG 53 -5.837 -1.421 -7.179 424 HD2 ARG 53 HD2 ARG 53 -8.518 -1.592 -8.603 425 HD3 ARG 53 HD3 ARG 53 -6.973 -2.106 -9.271 426 HE ARG 53 HE ARG 53 -6.829 -3.777 -7.384 427 HH11 ARG 53 HH11 ARG 53 -10.072 -2.768 -8.321 428 HH12 ARG 53 HH12 ARG 53 -10.755 -4.237 -7.649 429 HH21 ARG 53 HH21 ARG 53 -7.702 -5.494 -6.679 430 HH22 ARG 53 HH22 ARG 53 -9.443 -5.766 -6.695 431 H ASN 54 H ASN 54 -6.534 2.505 -7.130 432 HA ASN 54 HA ASN 54 -4.848 4.000 -6.909 433 HB2 ASN 54 HB2 ASN 54 -5.437 3.327 -4.065 434 HB3 ASN 54 HB3 ASN 54 -4.051 4.360 -4.438 435 HD21 ASN 54 HD21 ASN 54 -7.940 5.532 -5.251 436 HD22 ASN 54 HD22 ASN 54 -7.570 3.899 -4.726 437 H ALA 55 H ALA 55 -4.004 2.096 -8.110 438 HA ALA 55 HA ALA 55 -1.828 0.543 -7.153 439 HB1 ALA 55 HB1 ALA 55 -2.401 1.566 -9.938 440 HB2 ALA 55 HB2 ALA 55 -1.313 0.226 -9.462 441 HB3 ALA 55 HB3 ALA 55 -3.081 0.119 -9.148 442 H ASP 56 H ASP 56 -0.446 1.759 -5.888 443 HA ASP 56 HA ASP 56 0.682 4.260 -6.317 444 HB2 ASP 56 HB2 ASP 56 0.846 2.336 -4.411 445 HB3 ASP 56 HB3 ASP 56 2.428 2.115 -5.120 446 H ILE 57 H ILE 57 1.724 1.142 -7.596 447 HA ILE 57 HA ILE 57 3.541 2.518 -9.507 448 HB ILE 57 HB ILE 57 4.223 -0.269 -8.598 449 HG12 ILE 57 HG12 ILE 57 4.928 2.189 -6.958 450 HG13 ILE 57 HG13 ILE 57 3.947 0.812 -6.442 451 HG21 ILE 57 HG21 ILE 57 5.336 0.972 -10.526 452 HG22 ILE 57 HG22 ILE 57 5.945 2.130 -9.344 453 HG23 ILE 57 HG23 ILE 57 6.461 0.432 -9.278 454 HD11 ILE 57 HD11 ILE 57 6.911 0.748 -7.014 455 HD12 ILE 57 HD12 ILE 57 6.058 0.591 -5.456 456 HD13 ILE 57 HD13 ILE 57 5.896 -0.685 -6.677 457 H VAL 58 H VAL 58 3.006 2.129 -11.515 458 HA VAL 58 HA VAL 58 1.543 -0.331 -12.363 459 HB VAL 58 HB VAL 58 0.725 1.434 -14.202 460 HG11 VAL 58 HG11 VAL 58 -0.467 1.039 -11.461 461 HG12 VAL 58 HG12 VAL 58 -1.314 1.729 -12.864 462 HG13 VAL 58 HG13 VAL 58 -0.740 0.057 -12.942 463 HG21 VAL 58 HG21 VAL 58 1.964 3.319 -12.941 464 HG22 VAL 58 HG22 VAL 58 0.261 3.585 -13.307 465 HG23 VAL 58 HG23 VAL 58 0.798 3.135 -11.649 466 H VAL 59 H VAL 59 3.225 -1.479 -12.928 467 HA VAL 59 HA VAL 59 5.239 -0.636 -14.917 468 HB VAL 59 HB VAL 59 4.585 -3.335 -13.654 469 HG11 VAL 59 HG11 VAL 59 6.945 -2.499 -15.380 470 HG12 VAL 59 HG12 VAL 59 6.805 -4.054 -14.517 471 HG13 VAL 59 HG13 VAL 59 5.697 -3.678 -15.836 472 HG21 VAL 59 HG21 VAL 59 5.521 -1.683 -12.028 473 HG22 VAL 59 HG22 VAL 59 6.605 -3.038 -12.337 474 HG23 VAL 59 HG23 VAL 59 6.925 -1.468 -13.104 475 H ILE 60 H ILE 60 4.308 -0.205 -16.894 476 HA ILE 60 HA ILE 60 2.271 -2.017 -18.033 477 HB ILE 60 HB ILE 60 3.666 0.241 -19.417 478 HG12 ILE 60 HG12 ILE 60 2.718 1.213 -17.239 479 HG13 ILE 60 HG13 ILE 60 2.224 1.952 -18.725 480 HG21 ILE 60 HG21 ILE 60 1.440 0.376 -20.613 481 HG22 ILE 60 HG22 ILE 60 2.375 -1.111 -20.878 482 HG23 ILE 60 HG23 ILE 60 0.979 -1.122 -19.781 483 HD11 ILE 60 HD11 ILE 60 0.064 0.793 -18.624 484 HD12 ILE 60 HD12 ILE 60 0.568 0.010 -17.082 485 HD13 ILE 60 HD13 ILE 60 0.373 1.775 -17.204 486 H VAL 61 H VAL 61 2.839 -3.571 -19.549 487 HA VAL 61 HA VAL 61 5.699 -3.867 -20.374 488 HB VAL 61 HB VAL 61 3.637 -6.056 -20.193 489 HG11 VAL 61 HG11 VAL 61 5.614 -7.523 -20.291 490 HG12 VAL 61 HG12 VAL 61 5.499 -6.527 -21.733 491 HG13 VAL 61 HG13 VAL 61 6.673 -6.106 -20.465 492 HG21 VAL 61 HG21 VAL 61 4.074 -5.208 -17.900 493 HG22 VAL 61 HG22 VAL 61 4.776 -6.808 -18.141 494 HG23 VAL 61 HG23 VAL 61 5.824 -5.376 -18.171 495 H GLY 62 H GLY 62 6.065 -3.475 -22.476 496 HA2 GLY 62 HA2 GLY 62 4.220 -4.322 -24.594 497 HA3 GLY 62 HA3 GLY 62 4.364 -2.580 -24.398 498 HA PRO 63 HA PRO 63 7.789 -4.259 -27.165 499 HB2 PRO 63 HB2 PRO 63 7.146 -2.925 -29.478 500 HB3 PRO 63 HB3 PRO 63 6.478 -4.524 -29.019 501 HG2 PRO 63 HG2 PRO 63 5.183 -1.804 -28.755 502 HG3 PRO 63 HG3 PRO 63 4.443 -3.336 -29.293 503 HD2 PRO 63 HD2 PRO 63 4.196 -2.378 -26.720 504 HD3 PRO 63 HD3 PRO 63 4.222 -4.122 -27.098 505 H SER 64 H SER 64 6.531 -1.017 -27.846 506 HA SER 64 HA SER 64 9.095 0.291 -27.010 507 HB2 SER 64 HB2 SER 64 9.190 1.503 -29.067 508 HB3 SER 64 HB3 SER 64 9.267 -0.245 -29.324 509 HG SER 64 HG SER 64 7.818 0.736 -30.806 510 H GLY 65 H GLY 65 5.671 0.522 -26.955 511 HA2 GLY 65 HA2 GLY 65 4.389 2.040 -25.746 512 HA3 GLY 65 HA3 GLY 65 5.767 3.126 -25.591 513 H SER 66 H SER 66 6.269 4.552 -27.366 514 HA SER 66 HA SER 66 3.925 5.766 -28.397 515 HB2 SER 66 HB2 SER 66 6.817 6.347 -29.118 516 HB3 SER 66 HB3 SER 66 5.428 7.439 -29.312 517 HG SER 66 HG SER 66 6.615 7.846 -27.388 518 H GLY 67 H GLY 67 5.818 3.327 -29.982 519 HA2 GLY 67 HA2 GLY 67 5.722 4.255 -32.676 520 HA3 GLY 67 HA3 GLY 67 5.963 2.590 -32.165 521 H LYS 68 H LYS 68 3.844 1.531 -31.338 522 HA LYS 68 HA LYS 68 1.329 2.614 -32.420 523 HB2 LYS 68 HB2 LYS 68 0.768 1.094 -33.967 524 HB3 LYS 68 HB3 LYS 68 2.498 1.126 -34.229 525 HG2 LYS 68 HG2 LYS 68 0.826 -1.008 -32.853 526 HG3 LYS 68 HG3 LYS 68 1.731 -1.112 -34.358 527 HD2 LYS 68 HD2 LYS 68 3.839 -0.662 -32.848 528 HD3 LYS 68 HD3 LYS 68 2.789 -1.151 -31.514 529 HE2 LYS 68 HE2 LYS 68 2.326 -3.300 -32.598 530 HE3 LYS 68 HE3 LYS 68 3.177 -2.797 -34.051 531 HZ1 LYS 68 HZ1 LYS 68 5.240 -2.723 -32.752 532 HZ2 LYS 68 HZ2 LYS 68 4.447 -3.245 -31.409 533 HZ3 LYS 68 HZ3 LYS 68 4.588 -4.209 -32.708 534 H SER 69 H SER 69 2.869 0.987 -29.961 535 HA SER 69 HA SER 69 0.545 -0.391 -28.830 536 HB2 SER 69 HB2 SER 69 2.166 -0.562 -26.834 537 HB3 SER 69 HB3 SER 69 2.541 -1.444 -28.324 538 HG SER 69 HG SER 69 3.558 1.122 -27.769 539 H THR 70 H THR 70 -0.196 2.083 -29.517 540 HA THR 70 HA THR 70 -0.205 4.179 -27.704 541 HB THR 70 HB THR 70 -2.777 3.277 -28.973 542 HG1 THR 70 HG1 THR 70 -2.029 4.164 -30.920 543 HG21 THR 70 HG21 THR 70 -1.435 6.020 -28.779 544 HG22 THR 70 HG22 THR 70 -3.057 5.678 -29.426 545 HG23 THR 70 HG23 THR 70 -2.718 5.427 -27.705 546 H LEU 71 H LEU 71 -2.002 1.126 -27.450 547 HA LEU 71 HA LEU 71 -3.808 1.764 -25.402 548 HB2 LEU 71 HB2 LEU 71 -2.488 -0.938 -25.479 549 HB3 LEU 71 HB3 LEU 71 -4.153 -0.473 -25.198 550 HG LEU 71 HG LEU 71 -4.299 -1.591 -27.138 551 HD11 LEU 71 HD11 LEU 71 -3.829 1.120 -28.435 552 HD12 LEU 71 HD12 LEU 71 -4.923 -0.155 -28.923 553 HD13 LEU 71 HD13 LEU 71 -5.242 0.772 -27.426 554 HD21 LEU 71 HD21 LEU 71 -1.834 -0.297 -28.374 555 HD22 LEU 71 HD22 LEU 71 -1.880 -1.879 -27.558 556 HD23 LEU 71 HD23 LEU 71 -2.830 -1.610 -29.015 557 H ALA 72 H ALA 72 -0.394 0.910 -25.203 558 HA ALA 72 HA ALA 72 -0.239 0.638 -22.313 559 HB1 ALA 72 HB1 ALA 72 2.217 0.736 -22.715 560 HB2 ALA 72 HB2 ALA 72 1.410 -0.437 -23.777 561 HB3 ALA 72 HB3 ALA 72 1.938 1.143 -24.397 562 H LYS 73 H LYS 73 0.567 3.311 -24.616 563 HA LYS 73 HA LYS 73 1.077 5.121 -22.415 564 HB2 LYS 73 HB2 LYS 73 1.223 6.950 -23.918 565 HB3 LYS 73 HB3 LYS 73 2.181 5.602 -24.474 566 HG2 LYS 73 HG2 LYS 73 1.082 5.439 -26.424 567 HG3 LYS 73 HG3 LYS 73 -0.517 5.636 -25.677 568 HD2 LYS 73 HD2 LYS 73 1.312 8.003 -26.152 569 HD3 LYS 73 HD3 LYS 73 0.160 7.402 -27.352 570 HE2 LYS 73 HE2 LYS 73 -1.690 7.617 -25.700 571 HE3 LYS 73 HE3 LYS 73 -0.566 8.288 -24.524 572 HZ1 LYS 73 HZ1 LYS 73 -0.170 10.141 -26.038 573 HZ2 LYS 73 HZ2 LYS 73 -1.197 9.526 -27.147 574 HZ3 LYS 73 HZ3 LYS 73 -1.764 10.037 -25.713 575 H ILE 74 H ILE 74 -1.960 4.311 -24.057 576 HA ILE 74 HA ILE 74 -3.556 6.396 -22.916 577 HB ILE 74 HB ILE 74 -4.227 3.585 -23.832 578 HG12 ILE 74 HG12 ILE 74 -5.084 6.254 -25.018 579 HG13 ILE 74 HG13 ILE 74 -3.561 5.523 -25.460 580 HG21 ILE 74 HG21 ILE 74 -5.900 4.150 -22.108 581 HG22 ILE 74 HG22 ILE 74 -6.185 5.725 -22.877 582 HG23 ILE 74 HG23 ILE 74 -6.626 4.207 -23.696 583 HD11 ILE 74 HD11 ILE 74 -5.181 4.957 -27.142 584 HD12 ILE 74 HD12 ILE 74 -4.818 3.461 -26.276 585 HD13 ILE 74 HD13 ILE 74 -6.323 4.328 -25.947 586 H VAL 75 H VAL 75 -2.852 3.044 -21.631 587 HA VAL 75 HA VAL 75 -4.129 3.458 -19.126 588 HB VAL 75 HB VAL 75 -1.663 1.803 -19.810 589 HG11 VAL 75 HG11 VAL 75 -1.859 2.196 -17.310 590 HG12 VAL 75 HG12 VAL 75 -3.489 1.506 -17.359 591 HG13 VAL 75 HG13 VAL 75 -2.097 0.509 -17.783 592 HG21 VAL 75 HG21 VAL 75 -3.163 -0.137 -19.752 593 HG22 VAL 75 HG22 VAL 75 -4.552 0.959 -19.549 594 HG23 VAL 75 HG23 VAL 75 -3.545 0.985 -21.040 595 H LYS 76 H LYS 76 -0.682 4.077 -20.037 596 HA LYS 76 HA LYS 76 0.113 5.192 -17.561 597 HB2 LYS 76 HB2 LYS 76 1.687 4.523 -19.241 598 HB3 LYS 76 HB3 LYS 76 1.120 5.760 -20.369 599 HG2 LYS 76 HG2 LYS 76 2.243 7.467 -19.339 600 HG3 LYS 76 HG3 LYS 76 2.037 6.788 -17.726 601 HD2 LYS 76 HD2 LYS 76 4.412 6.816 -18.406 602 HD3 LYS 76 HD3 LYS 76 3.808 5.213 -18.018 603 HE2 LYS 76 HE2 LYS 76 5.174 4.890 -19.845 604 HE3 LYS 76 HE3 LYS 76 3.536 4.719 -20.437 605 HZ1 LYS 76 HZ1 LYS 76 5.231 7.141 -20.767 606 HZ2 LYS 76 HZ2 LYS 76 4.923 6.019 -21.907 607 HZ3 LYS 76 HZ3 LYS 76 3.715 6.982 -21.382 608 H LYS 77 H LYS 77 -1.590 6.827 -20.190 609 HA LYS 77 HA LYS 77 -1.424 9.452 -18.901 610 HB2 LYS 77 HB2 LYS 77 -3.142 8.349 -21.160 611 HB3 LYS 77 HB3 LYS 77 -3.402 9.952 -20.508 612 HG2 LYS 77 HG2 LYS 77 -0.801 8.961 -21.760 613 HG3 LYS 77 HG3 LYS 77 -2.008 9.992 -22.530 614 HD2 LYS 77 HD2 LYS 77 -0.194 10.720 -20.196 615 HD3 LYS 77 HD3 LYS 77 -0.116 11.314 -21.843 616 HE2 LYS 77 HE2 LYS 77 -2.369 12.360 -21.573 617 HE3 LYS 77 HE3 LYS 77 -2.396 11.825 -19.895 618 HZ1 LYS 77 HZ1 LYS 77 -0.401 13.691 -21.062 619 HZ2 LYS 77 HZ2 LYS 77 -1.620 14.115 -20.069 620 HZ3 LYS 77 HZ3 LYS 77 -0.405 13.196 -19.508 621 H ILE 78 H ILE 78 -3.832 6.822 -18.768 622 HA ILE 78 HA ILE 78 -5.694 8.337 -17.140 623 HB ILE 78 HB ILE 78 -5.373 5.351 -17.443 624 HG12 ILE 78 HG12 ILE 78 -6.585 7.424 -19.120 625 HG13 ILE 78 HG13 ILE 78 -6.113 5.768 -19.467 626 HG21 ILE 78 HG21 ILE 78 -7.565 6.979 -16.088 627 HG22 ILE 78 HG22 ILE 78 -7.687 5.243 -16.443 628 HG23 ILE 78 HG23 ILE 78 -6.475 5.791 -15.319 629 HD11 ILE 78 HD11 ILE 78 -8.268 4.951 -18.537 630 HD12 ILE 78 HD12 ILE 78 -8.756 6.650 -18.273 631 HD13 ILE 78 HD13 ILE 78 -8.460 6.048 -19.914 632 H ILE 79 H ILE 79 -2.875 6.256 -16.237 633 HA ILE 79 HA ILE 79 -3.554 6.682 -13.407 634 HB ILE 79 HB ILE 79 -1.254 5.074 -14.528 635 HG12 ILE 79 HG12 ILE 79 -3.352 4.135 -15.365 636 HG13 ILE 79 HG13 ILE 79 -2.633 3.095 -14.155 637 HG21 ILE 79 HG21 ILE 79 -2.496 5.458 -11.777 638 HG22 ILE 79 HG22 ILE 79 -1.693 3.936 -12.179 639 HG23 ILE 79 HG23 ILE 79 -0.785 5.450 -12.273 640 HD11 ILE 79 HD11 ILE 79 -5.065 3.263 -13.934 641 HD12 ILE 79 HD12 ILE 79 -4.295 3.891 -12.465 642 HD13 ILE 79 HD13 ILE 79 -4.983 5.009 -13.665 643 H ALA 80 H ALA 80 -1.200 8.048 -15.674 644 HA ALA 80 HA ALA 80 0.526 9.163 -13.810 645 HB1 ALA 80 HB1 ALA 80 -0.457 10.323 -16.459 646 HB2 ALA 80 HB2 ALA 80 0.935 10.936 -15.557 647 HB3 ALA 80 HB3 ALA 80 0.979 9.285 -16.192 648 H ARG 81 H ARG 81 -2.677 10.297 -14.825 649 HA ARG 81 HA ARG 81 -2.664 12.719 -13.157 650 HB2 ARG 81 HB2 ARG 81 -4.972 13.016 -14.009 651 HB3 ARG 81 HB3 ARG 81 -3.807 12.761 -15.291 652 HG2 ARG 81 HG2 ARG 81 -5.404 11.326 -16.065 653 HG3 ARG 81 HG3 ARG 81 -4.506 10.224 -15.022 654 HD2 ARG 81 HD2 ARG 81 -6.763 9.768 -14.659 655 HD3 ARG 81 HD3 ARG 81 -6.199 10.594 -13.216 656 HE ARG 81 HE ARG 81 -7.262 12.567 -14.966 657 HH11 ARG 81 HH11 ARG 81 -8.536 9.833 -13.145 658 HH12 ARG 81 HH12 ARG 81 -10.135 10.520 -13.074 659 HH21 ARG 81 HH21 ARG 81 -9.334 13.358 -14.862 660 HH22 ARG 81 HH22 ARG 81 -10.578 12.441 -14.057 661 H ALA 82 H ALA 82 -3.674 9.383 -12.833 662 HA ALA 82 HA ALA 82 -5.596 9.713 -10.761 663 HB1 ALA 82 HB1 ALA 82 -3.762 7.342 -11.271 664 HB2 ALA 82 HB2 ALA 82 -5.299 7.324 -10.396 665 HB3 ALA 82 HB3 ALA 82 -5.287 7.633 -12.145 666 H GLY 83 H GLY 83 -2.125 9.678 -10.704 667 HA2 GLY 83 HA2 GLY 83 -1.171 11.031 -8.853 668 HA3 GLY 83 HA3 GLY 83 -2.181 10.106 -7.734 669 H ALA 84 H ALA 84 -0.525 8.335 -10.270 670 HA ALA 84 HA ALA 84 1.415 7.222 -8.275 671 HB1 ALA 84 HB1 ALA 84 -0.385 5.699 -8.456 672 HB2 ALA 84 HB2 ALA 84 -0.504 5.921 -10.210 673 HB3 ALA 84 HB3 ALA 84 0.890 5.058 -9.523 674 H LYS 85 H LYS 85 3.044 5.751 -9.439 675 HA LYS 85 HA LYS 85 4.166 7.220 -11.782 676 HB2 LYS 85 HB2 LYS 85 6.318 6.285 -11.178 677 HB3 LYS 85 HB3 LYS 85 5.596 7.201 -9.834 678 HG2 LYS 85 HG2 LYS 85 4.825 5.061 -8.825 679 HG3 LYS 85 HG3 LYS 85 5.512 4.173 -10.145 680 HD2 LYS 85 HD2 LYS 85 6.888 4.059 -8.154 681 HD3 LYS 85 HD3 LYS 85 7.815 4.838 -9.434 682 HE2 LYS 85 HE2 LYS 85 6.357 6.474 -7.317 683 HE3 LYS 85 HE3 LYS 85 7.900 5.720 -6.976 684 HZ1 LYS 85 HZ1 LYS 85 8.403 7.847 -7.673 685 HZ2 LYS 85 HZ2 LYS 85 8.817 6.927 -8.929 686 HZ3 LYS 85 HZ3 LYS 85 7.446 7.825 -8.998 687 H THR 86 H THR 86 4.166 6.380 -13.614 688 HA THR 86 HA THR 86 3.674 3.463 -14.044 689 HB THR 86 HB THR 86 2.882 5.538 -16.092 690 HG1 THR 86 HG1 THR 86 1.155 6.254 -15.084 691 HG21 THR 86 HG21 THR 86 2.092 3.679 -16.954 692 HG22 THR 86 HG22 THR 86 1.870 2.862 -15.392 693 HG23 THR 86 HG23 THR 86 0.681 4.045 -15.937 694 H ILE 87 H ILE 87 4.806 2.358 -15.477 695 HA ILE 87 HA ILE 87 6.818 3.816 -17.137 696 HB ILE 87 HB ILE 87 8.504 2.014 -16.476 697 HG12 ILE 87 HG12 ILE 87 6.930 0.466 -15.441 698 HG13 ILE 87 HG13 ILE 87 8.403 0.819 -14.527 699 HG21 ILE 87 HG21 ILE 87 7.708 4.078 -14.427 700 HG22 ILE 87 HG22 ILE 87 9.264 3.209 -14.515 701 HG23 ILE 87 HG23 ILE 87 8.782 4.296 -15.822 702 HD11 ILE 87 HD11 ILE 87 6.889 0.858 -12.809 703 HD12 ILE 87 HD12 ILE 87 6.613 2.550 -13.349 704 HD13 ILE 87 HD13 ILE 87 5.554 1.265 -13.902 705 H GLU 88 H GLU 88 7.846 2.437 -18.700 706 HA GLU 88 HA GLU 88 5.983 0.372 -19.831 707 HB2 GLU 88 HB2 GLU 88 7.166 2.793 -21.211 708 HB3 GLU 88 HB3 GLU 88 6.758 1.329 -22.119 709 HG2 GLU 88 HG2 GLU 88 4.457 1.421 -21.399 710 HG3 GLU 88 HG3 GLU 88 4.772 2.815 -20.378 711 H VAL 89 H VAL 89 7.182 -1.361 -19.276 712 HA VAL 89 HA VAL 89 10.065 -1.308 -19.577 713 HB VAL 89 HB VAL 89 10.199 -3.229 -18.333 714 HG11 VAL 89 HG11 VAL 89 8.000 -1.456 -17.174 715 HG12 VAL 89 HG12 VAL 89 9.092 -2.489 -16.247 716 HG13 VAL 89 HG13 VAL 89 9.741 -1.109 -17.142 717 HG21 VAL 89 HG21 VAL 89 8.347 -4.695 -19.026 718 HG22 VAL 89 HG22 VAL 89 8.217 -4.379 -17.303 719 HG23 VAL 89 HG23 VAL 89 7.162 -3.500 -18.435 720 H THR 90 H THR 90 10.120 -0.962 -21.705 721 HA THR 90 HA THR 90 9.054 -2.502 -23.762 722 HB THR 90 HB THR 90 10.936 -1.588 -25.204 723 HG1 THR 90 HG1 THR 90 12.376 -1.346 -23.407 724 HG21 THR 90 HG21 THR 90 9.383 0.419 -23.509 725 HG22 THR 90 HG22 THR 90 10.066 0.683 -25.128 726 HG23 THR 90 HG23 THR 90 8.731 -0.464 -24.910 727 H THR 91 H THR 91 9.266 -4.510 -24.340 728 HA THR 91 HA THR 91 11.022 -6.312 -23.079 729 HB THR 91 HB THR 91 10.126 -8.002 -24.680 730 HG1 THR 91 HG1 THR 91 8.690 -7.341 -26.207 731 HG21 THR 91 HG21 THR 91 7.821 -7.894 -23.958 732 HG22 THR 91 HG22 THR 91 8.853 -7.361 -22.624 733 HG23 THR 91 HG23 THR 91 7.958 -6.162 -23.571 734 H GLU 92 H GLU 92 11.732 -4.485 -25.949 735 HA GLU 92 HA GLU 92 13.445 -6.383 -27.235 736 HB2 GLU 92 HB2 GLU 92 13.392 -3.343 -27.420 737 HB3 GLU 92 HB3 GLU 92 14.317 -4.417 -28.475 738 HG2 GLU 92 HG2 GLU 92 12.135 -5.574 -29.069 739 HG3 GLU 92 HG3 GLU 92 11.292 -4.283 -28.219 740 H GLU 93 H GLU 93 14.314 -3.797 -24.885 741 HA GLU 93 HA GLU 93 16.692 -5.223 -24.074 742 HB2 GLU 93 HB2 GLU 93 18.421 -3.681 -24.787 743 HB3 GLU 93 HB3 GLU 93 17.626 -4.396 -26.172 744 HG2 GLU 93 HG2 GLU 93 16.280 -2.300 -26.466 745 HG3 GLU 93 HG3 GLU 93 17.145 -1.583 -25.109 746 H GLU 94 H GLU 94 14.857 -2.166 -23.835 747 HA GLU 94 HA GLU 94 16.507 -1.217 -21.646 748 HB2 GLU 94 HB2 GLU 94 15.226 0.078 -23.515 749 HB3 GLU 94 HB3 GLU 94 13.848 -0.015 -22.406 750 HG2 GLU 94 HG2 GLU 94 15.086 1.205 -20.700 751 HG3 GLU 94 HG3 GLU 94 16.554 1.156 -21.672 752 H LEU 95 H LEU 95 14.061 -3.463 -21.646 753 HA LEU 95 HA LEU 95 12.298 -3.364 -19.702 754 HB2 LEU 95 HB2 LEU 95 12.743 -5.308 -20.972 755 HB3 LEU 95 HB3 LEU 95 14.345 -5.511 -20.284 756 HG LEU 95 HG LEU 95 13.427 -6.221 -18.141 757 HD11 LEU 95 HD11 LEU 95 10.711 -5.717 -19.415 758 HD12 LEU 95 HD12 LEU 95 10.963 -6.714 -17.963 759 HD13 LEU 95 HD13 LEU 95 11.384 -5.005 -17.918 760 HD21 LEU 95 HD21 LEU 95 12.094 -7.627 -20.486 761 HD22 LEU 95 HD22 LEU 95 13.777 -7.861 -19.966 762 HD23 LEU 95 HD23 LEU 95 12.450 -8.339 -18.896 763 H ARG 96 H ARG 96 15.626 -4.273 -18.656 764 HA ARG 96 HA ARG 96 15.012 -4.112 -15.864 765 HB2 ARG 96 HB2 ARG 96 17.519 -4.055 -15.538 766 HB3 ARG 96 HB3 ARG 96 16.863 -5.446 -16.357 767 HG2 ARG 96 HG2 ARG 96 17.850 -3.183 -18.084 768 HG3 ARG 96 HG3 ARG 96 19.051 -4.145 -17.228 769 HD2 ARG 96 HD2 ARG 96 18.494 -6.141 -18.342 770 HD3 ARG 96 HD3 ARG 96 16.902 -5.570 -18.810 771 HE ARG 96 HE ARG 96 17.765 -4.424 -20.642 772 HH11 ARG 96 HH11 ARG 96 20.497 -5.722 -18.859 773 HH12 ARG 96 HH12 ARG 96 21.605 -5.331 -20.158 774 HH21 ARG 96 HH21 ARG 96 19.148 -3.947 -22.151 775 HH22 ARG 96 HH22 ARG 96 20.852 -4.352 -22.021 776 H LYS 97 H LYS 97 16.267 -1.584 -17.994 777 HA LYS 97 HA LYS 97 16.795 0.318 -15.828 778 HB2 LYS 97 HB2 LYS 97 16.526 0.692 -18.845 779 HB3 LYS 97 HB3 LYS 97 16.995 1.956 -17.704 780 HG2 LYS 97 HG2 LYS 97 18.963 0.600 -17.009 781 HG3 LYS 97 HG3 LYS 97 18.524 -0.637 -18.204 782 HD2 LYS 97 HD2 LYS 97 18.751 1.039 -20.021 783 HD3 LYS 97 HD3 LYS 97 19.186 2.276 -18.818 784 HE2 LYS 97 HE2 LYS 97 21.132 0.903 -18.119 785 HE3 LYS 97 HE3 LYS 97 20.715 -0.310 -19.326 786 HZ1 LYS 97 HZ1 LYS 97 22.432 1.190 -20.144 787 HZ2 LYS 97 HZ2 LYS 97 21.091 1.371 -21.053 788 HZ3 LYS 97 HZ3 LYS 97 21.478 2.495 -19.933 789 H ALA 98 H ALA 98 14.119 -0.138 -18.150 790 HA ALA 98 HA ALA 98 12.400 1.968 -17.220 791 HB1 ALA 98 HB1 ALA 98 11.744 -0.761 -18.338 792 HB2 ALA 98 HB2 ALA 98 10.663 0.648 -18.293 793 HB3 ALA 98 HB3 ALA 98 12.111 0.677 -19.335 794 H VAL 99 H VAL 99 12.650 -1.490 -16.149 795 HA VAL 99 HA VAL 99 10.593 -1.271 -14.213 796 HB VAL 99 HB VAL 99 13.055 -3.062 -14.315 797 HG11 VAL 99 HG11 VAL 99 10.695 -3.323 -12.421 798 HG12 VAL 99 HG12 VAL 99 11.978 -4.532 -12.667 799 HG13 VAL 99 HG13 VAL 99 12.386 -2.975 -11.965 800 HG21 VAL 99 HG21 VAL 99 11.213 -3.426 -16.054 801 HG22 VAL 99 HG22 VAL 99 11.537 -4.818 -15.009 802 HG23 VAL 99 HG23 VAL 99 10.115 -3.794 -14.718 803 H ALA 100 H ALA 100 14.159 -0.815 -13.916 804 HA ALA 100 HA ALA 100 14.226 -0.158 -11.198 805 HB1 ALA 100 HB1 ALA 100 16.053 0.807 -13.446 806 HB2 ALA 100 HB2 ALA 100 16.417 0.843 -11.711 807 HB3 ALA 100 HB3 ALA 100 16.201 -0.711 -12.527 808 H LYS 101 H LYS 101 13.632 2.015 -13.966 809 HA LYS 101 HA LYS 101 13.709 4.512 -12.796 810 HB2 LYS 101 HB2 LYS 101 13.407 3.771 -15.260 811 HB3 LYS 101 HB3 LYS 101 11.688 3.650 -14.910 812 HG2 LYS 101 HG2 LYS 101 12.177 5.703 -16.038 813 HG3 LYS 101 HG3 LYS 101 11.649 6.095 -14.401 814 HD2 LYS 101 HD2 LYS 101 13.981 6.479 -13.709 815 HD3 LYS 101 HD3 LYS 101 14.567 5.912 -15.289 816 HE2 LYS 101 HE2 LYS 101 13.365 7.781 -16.391 817 HE3 LYS 101 HE3 LYS 101 12.780 8.339 -14.827 818 HZ1 LYS 101 HZ1 LYS 101 15.642 8.201 -15.615 819 HZ2 LYS 101 HZ2 LYS 101 14.754 9.567 -15.535 820 HZ3 LYS 101 HZ3 LYS 101 15.090 8.739 -14.173 821 H ALA 102 H ALA 102 11.147 2.181 -12.302 822 HA ALA 102 HA ALA 102 9.976 4.120 -10.322 823 HB1 ALA 102 HB1 ALA 102 8.630 2.374 -12.349 824 HB2 ALA 102 HB2 ALA 102 7.737 3.102 -10.997 825 HB3 ALA 102 HB3 ALA 102 8.515 4.156 -12.212 826 H ARG 103 H ARG 103 9.841 0.589 -11.254 827 HA ARG 103 HA ARG 103 8.854 -0.250 -8.682 828 HB2 ARG 103 HB2 ARG 103 8.990 -1.419 -11.082 829 HB3 ARG 103 HB3 ARG 103 10.515 -2.030 -10.458 830 HG2 ARG 103 HG2 ARG 103 7.742 -2.457 -9.252 831 HG3 ARG 103 HG3 ARG 103 8.656 -3.612 -10.225 832 HD2 ARG 103 HD2 ARG 103 10.473 -3.475 -8.406 833 HD3 ARG 103 HD3 ARG 103 9.244 -2.650 -7.417 834 HE ARG 103 HE ARG 103 8.053 -5.009 -8.384 835 HH11 ARG 103 HH11 ARG 103 10.703 -4.197 -6.244 836 HH12 ARG 103 HH12 ARG 103 10.552 -5.675 -5.318 837 HH21 ARG 103 HH21 ARG 103 7.905 -6.882 -7.187 838 HH22 ARG 103 HH22 ARG 103 9.000 -7.159 -5.857 839 H GLY 104 H GLY 104 12.035 0.456 -9.893 840 HA2 GLY 104 HA2 GLY 104 13.447 -0.481 -7.441 841 HA3 GLY 104 HA3 GLY 104 14.176 0.450 -8.757 842 H SER 105 H SER 105 12.869 2.676 -9.072 843 HA SER 105 HA SER 105 13.969 4.313 -7.124 844 HB2 SER 105 HB2 SER 105 11.675 4.952 -9.010 845 HB3 SER 105 HB3 SER 105 12.625 6.149 -8.115 846 HG SER 105 HG SER 105 14.471 5.449 -9.234 847 H TRP 106 H TRP 106 10.563 3.166 -7.241 848 HA TRP 106 HA TRP 106 9.469 4.736 -5.216 849 HB2 TRP 106 HB2 TRP 106 8.371 3.079 -6.787 850 HB3 TRP 106 HB3 TRP 106 8.858 1.790 -5.713 851 HD1 TRP 106 HD1 TRP 106 6.165 4.326 -6.188 852 HE1 TRP 106 HE1 TRP 106 4.565 4.380 -4.294 853 HE3 TRP 106 HE3 TRP 106 8.703 1.239 -2.981 854 HZ2 TRP 106 HZ2 TRP 106 4.548 3.525 -1.451 855 HZ3 TRP 106 HZ3 TRP 106 7.953 0.967 -0.666 856 HH2 TRP 106 HH2 TRP 106 5.878 2.112 0.135 857 H SER 107 H SER 107 11.156 1.597 -4.762 858 HA SER 107 HA SER 107 10.962 1.705 -1.838 859 HB2 SER 107 HB2 SER 107 12.481 -0.107 -3.734 860 HB3 SER 107 HB3 SER 107 12.420 -0.311 -1.965 861 HG SER 107 HG SER 107 10.851 -1.572 -3.074 862 H LEU 108 H LEU 108 12.886 3.313 -4.066 863 HA LEU 108 HA LEU 108 15.093 3.788 -2.182 864 HB2 LEU 108 HB2 LEU 108 14.699 3.698 -5.107 865 HB3 LEU 108 HB3 LEU 108 15.405 5.223 -4.612 866 HG LEU 108 HG LEU 108 17.258 4.007 -3.515 867 HD11 LEU 108 HD11 LEU 108 15.867 1.482 -4.534 868 HD12 LEU 108 HD12 LEU 108 17.522 1.549 -3.886 869 HD13 LEU 108 HD13 LEU 108 16.148 1.907 -2.834 870 HD21 LEU 108 HD21 LEU 108 17.371 4.603 -5.922 871 HD22 LEU 108 HD22 LEU 108 18.252 3.097 -5.605 872 HD23 LEU 108 HD23 LEU 108 16.628 3.042 -6.335 873 H GLU 109 H GLU 109 12.129 5.268 -3.333 874 HA GLU 109 HA GLU 109 12.878 7.998 -2.573 875 HB2 GLU 109 HB2 GLU 109 10.100 6.915 -3.220 876 HB3 GLU 109 HB3 GLU 109 10.597 8.599 -3.086 877 HG2 GLU 109 HG2 GLU 109 12.336 7.696 -5.019 878 HG3 GLU 109 HG3 GLU 109 10.946 6.641 -5.268 879 H HIS 110 H HIS 110 10.518 5.612 -1.272 880 HA HIS 110 HA HIS 110 9.802 7.247 0.988 881 HB2 HIS 110 HB2 HIS 110 8.357 5.532 1.604 882 HB3 HIS 110 HB3 HIS 110 8.443 5.340 -0.143 883 HD2 HIS 110 HD2 HIS 110 10.794 3.519 -0.692 884 HE1 HIS 110 HE1 HIS 110 9.739 1.038 2.608 885 HE2 HIS 110 HE2 HIS 110 11.143 1.187 0.502 886 H HIS 111 H HIS 111 12.479 5.279 0.426 887 HA HIS 111 HA HIS 111 13.264 4.320 2.996 888 HB2 HIS 111 HB2 HIS 111 14.104 3.548 0.824 889 HB3 HIS 111 HB3 HIS 111 14.833 5.121 0.515 890 HD2 HIS 111 HD2 HIS 111 15.318 1.975 2.712 891 HE1 HIS 111 HE1 HIS 111 18.895 4.265 3.016 892 HE2 HIS 111 HE2 HIS 111 17.791 2.061 3.611 893 H HIS 112 H HIS 112 15.062 5.122 4.326 894 HA HIS 112 HA HIS 112 14.519 7.816 5.176 895 HB2 HIS 112 HB2 HIS 112 16.590 5.792 6.100 896 HB3 HIS 112 HB3 HIS 112 16.164 7.281 6.951 897 HD2 HIS 112 HD2 HIS 112 13.611 7.457 7.960 898 HE1 HIS 112 HE1 HIS 112 12.818 3.273 7.852 899 HE2 HIS 112 HE2 HIS 112 12.021 5.514 8.748 900 H HIS 113 H HIS 113 16.841 6.731 2.915 901 HA HIS 113 HA HIS 113 18.750 7.501 1.994 902 HB2 HIS 113 HB2 HIS 113 17.590 10.254 2.542 903 HB3 HIS 113 HB3 HIS 113 18.882 9.868 1.417 904 HD2 HIS 113 HD2 HIS 113 15.086 9.547 1.896 905 HE1 HIS 113 HE1 HIS 113 15.866 8.658 -2.188 906 HE2 HIS 113 HE2 HIS 113 14.037 8.998 -0.440 907 H HIS 114 H HIS 114 18.600 10.223 4.213 908 HA HIS 114 HA HIS 114 20.519 9.369 6.143 909 HB2 HIS 114 HB2 HIS 114 22.166 9.629 4.334 910 HB3 HIS 114 HB3 HIS 114 21.560 11.245 3.974 911 HD2 HIS 114 HD2 HIS 114 22.531 13.242 5.365 912 HE1 HIS 114 HE1 HIS 114 24.868 11.051 8.171 913 HE2 HIS 114 HE2 HIS 114 24.303 13.374 7.307 914 H HIS 115 H HIS 115 19.176 12.140 4.374 915 HA HIS 115 HA HIS 115 18.153 13.424 6.828 916 HB2 HIS 115 HB2 HIS 115 20.417 14.375 6.556 917 HB3 HIS 115 HB3 HIS 115 20.073 14.771 4.874 918 HD2 HIS 115 HD2 HIS 115 18.483 15.639 8.347 919 HE1 HIS 115 HE1 HIS 115 18.408 19.164 5.959 920 HE2 HIS 115 HE2 HIS 115 17.849 18.196 8.238 Start of MODEL 4 1 H1 MET 1 H1 MET 1 3.190 -0.017 0.476 2 H2 MET 1 H2 MET 1 3.628 -1.239 -0.533 3 H3 MET 1 H3 MET 1 2.131 -1.214 0.126 4 HA MET 1 HA MET 1 1.550 0.759 -1.082 5 HB2 MET 1 HB2 MET 1 2.962 1.813 -2.641 6 HB3 MET 1 HB3 MET 1 3.896 1.643 -1.164 7 HG2 MET 1 HG2 MET 1 4.153 -0.037 -3.695 8 HG3 MET 1 HG3 MET 1 5.230 1.244 -3.192 9 HE1 MET 1 HE1 MET 1 7.466 -1.942 -2.950 10 HE2 MET 1 HE2 MET 1 6.227 -1.526 -4.152 11 HE3 MET 1 HE3 MET 1 7.356 -0.277 -3.567 12 H ARG 2 H ARG 2 0.405 0.536 -3.108 13 HA ARG 2 HA ARG 2 0.097 -2.277 -3.821 14 HB2 ARG 2 HB2 ARG 2 -1.831 -0.671 -3.518 15 HB3 ARG 2 HB3 ARG 2 -1.340 0.103 -5.022 16 HG2 ARG 2 HG2 ARG 2 -1.686 -1.995 -6.270 17 HG3 ARG 2 HG3 ARG 2 -1.949 -2.892 -4.776 18 HD2 ARG 2 HD2 ARG 2 -3.753 -0.742 -5.925 19 HD3 ARG 2 HD3 ARG 2 -4.013 -2.485 -6.030 20 HE ARG 2 HE ARG 2 -4.500 -0.732 -3.762 21 HH11 ARG 2 HH11 ARG 2 -4.294 -4.130 -4.711 22 HH12 ARG 2 HH12 ARG 2 -5.044 -4.654 -3.233 23 HH21 ARG 2 HH21 ARG 2 -5.399 -1.493 -1.910 24 HH22 ARG 2 HH22 ARG 2 -5.637 -3.208 -1.685 25 H VAL 3 H VAL 3 0.448 -3.283 -5.692 26 HA VAL 3 HA VAL 3 2.008 -1.882 -7.805 27 HB VAL 3 HB VAL 3 2.376 -4.697 -6.685 28 HG11 VAL 3 HG11 VAL 3 2.803 -4.779 -9.113 29 HG12 VAL 3 HG12 VAL 3 3.826 -3.328 -9.008 30 HG13 VAL 3 HG13 VAL 3 4.332 -4.846 -8.245 31 HG21 VAL 3 HG21 VAL 3 3.412 -2.953 -5.283 32 HG22 VAL 3 HG22 VAL 3 4.655 -3.872 -6.125 33 HG23 VAL 3 HG23 VAL 3 4.211 -2.259 -6.708 34 H ILE 4 H ILE 4 1.546 -2.328 -9.903 35 HA ILE 4 HA ILE 4 -0.473 -4.406 -10.599 36 HB ILE 4 HB ILE 4 -0.595 -1.469 -11.168 37 HG12 ILE 4 HG12 ILE 4 -2.321 -3.670 -9.976 38 HG13 ILE 4 HG13 ILE 4 -1.893 -2.134 -9.258 39 HG21 ILE 4 HG21 ILE 4 -2.039 -3.593 -12.773 40 HG22 ILE 4 HG22 ILE 4 -2.275 -1.824 -12.874 41 HG23 ILE 4 HG23 ILE 4 -0.736 -2.506 -13.366 42 HD11 ILE 4 HD11 ILE 4 -3.971 -2.693 -11.399 43 HD12 ILE 4 HD12 ILE 4 -4.219 -2.057 -9.761 44 HD13 ILE 4 HD13 ILE 4 -3.394 -1.061 -10.999 45 H VAL 5 H VAL 5 -0.178 -5.311 -12.541 46 HA VAL 5 HA VAL 5 2.039 -4.294 -14.222 47 HB VAL 5 HB VAL 5 1.561 -7.253 -13.785 48 HG11 VAL 5 HG11 VAL 5 3.737 -5.769 -15.338 49 HG12 VAL 5 HG12 VAL 5 3.624 -7.522 -15.096 50 HG13 VAL 5 HG13 VAL 5 2.397 -6.681 -16.055 51 HG21 VAL 5 HG21 VAL 5 2.640 -6.326 -11.777 52 HG22 VAL 5 HG22 VAL 5 3.772 -7.298 -12.711 53 HG23 VAL 5 HG23 VAL 5 3.864 -5.523 -12.786 54 H VAL 6 H VAL 6 1.152 -3.581 -16.024 55 HA VAL 6 HA VAL 6 -1.264 -4.987 -17.141 56 HB VAL 6 HB VAL 6 -0.284 -2.228 -17.908 57 HG11 VAL 6 HG11 VAL 6 -2.605 -2.075 -18.841 58 HG12 VAL 6 HG12 VAL 6 -1.602 -3.261 -19.669 59 HG13 VAL 6 HG13 VAL 6 -2.821 -3.806 -18.486 60 HG21 VAL 6 HG21 VAL 6 -1.055 -2.084 -15.596 61 HG22 VAL 6 HG22 VAL 6 -2.363 -1.482 -16.614 62 HG23 VAL 6 HG23 VAL 6 -2.456 -3.123 -15.940 63 H ILE 7 H ILE 7 -1.170 -5.824 -19.244 64 HA ILE 7 HA ILE 7 1.458 -5.649 -20.689 65 HB ILE 7 HB ILE 7 -0.241 -8.143 -20.362 66 HG12 ILE 7 HG12 ILE 7 2.034 -8.938 -19.241 67 HG13 ILE 7 HG13 ILE 7 2.249 -7.225 -18.901 68 HG21 ILE 7 HG21 ILE 7 2.420 -7.646 -21.756 69 HG22 ILE 7 HG22 ILE 7 1.762 -9.255 -21.407 70 HG23 ILE 7 HG23 ILE 7 0.886 -8.184 -22.485 71 HD11 ILE 7 HD11 ILE 7 -0.222 -8.862 -18.095 72 HD12 ILE 7 HD12 ILE 7 1.203 -8.655 -17.067 73 HD13 ILE 7 HD13 ILE 7 0.224 -7.243 -17.503 74 H VAL 8 H VAL 8 1.383 -5.304 -22.850 75 HA VAL 8 HA VAL 8 -1.182 -4.902 -24.202 76 HB VAL 8 HB VAL 8 1.664 -4.936 -25.327 77 HG11 VAL 8 HG11 VAL 8 0.663 -3.720 -27.255 78 HG12 VAL 8 HG12 VAL 8 0.037 -5.366 -27.114 79 HG13 VAL 8 HG13 VAL 8 -0.956 -3.992 -26.568 80 HG21 VAL 8 HG21 VAL 8 1.314 -3.082 -23.721 81 HG22 VAL 8 HG22 VAL 8 1.439 -2.478 -25.377 82 HG23 VAL 8 HG23 VAL 8 -0.152 -2.596 -24.594 83 H GLY 9 H GLY 9 -2.404 -6.522 -24.876 84 HA2 GLY 9 HA2 GLY 9 -1.247 -8.999 -26.074 85 HA3 GLY 9 HA3 GLY 9 -2.295 -9.113 -24.659 86 HA PRO 10 HA PRO 10 -3.124 -11.092 -25.437 87 HB2 PRO 10 HB2 PRO 10 -4.496 -12.899 -26.934 88 HB3 PRO 10 HB3 PRO 10 -5.260 -11.914 -25.656 89 HG2 PRO 10 HG2 PRO 10 -5.214 -11.343 -28.639 90 HG3 PRO 10 HG3 PRO 10 -6.633 -11.385 -27.546 91 HD2 PRO 10 HD2 PRO 10 -5.372 -9.053 -28.169 92 HD3 PRO 10 HD3 PRO 10 -6.002 -9.345 -26.514 93 H SER 11 H SER 11 -2.669 -9.859 -28.607 94 HA SER 11 HA SER 11 -0.477 -11.811 -29.236 95 HB2 SER 11 HB2 SER 11 -2.448 -10.546 -31.167 96 HB3 SER 11 HB3 SER 11 -1.159 -11.685 -31.579 97 HG SER 11 HG SER 11 -3.214 -12.687 -31.362 98 H GLY 12 H GLY 12 -0.871 -8.650 -28.387 99 HA2 GLY 12 HA2 GLY 12 0.297 -7.254 -30.604 100 HA3 GLY 12 HA3 GLY 12 -0.054 -6.599 -29.007 101 H ALA 13 H ALA 13 1.783 -8.580 -27.677 102 HA ALA 13 HA ALA 13 4.455 -7.559 -28.583 103 HB1 ALA 13 HB1 ALA 13 3.532 -6.305 -26.637 104 HB2 ALA 13 HB2 ALA 13 3.437 -7.821 -25.723 105 HB3 ALA 13 HB3 ALA 13 5.014 -7.182 -26.232 106 H GLY 14 H GLY 14 2.774 -10.304 -28.494 107 HA2 GLY 14 HA2 GLY 14 4.468 -12.293 -28.949 108 HA3 GLY 14 HA3 GLY 14 4.667 -12.158 -27.199 109 H LYS 15 H LYS 15 3.724 -14.450 -27.366 110 HA LYS 15 HA LYS 15 0.713 -14.411 -27.432 111 HB2 LYS 15 HB2 LYS 15 2.623 -16.601 -28.315 112 HB3 LYS 15 HB3 LYS 15 0.869 -16.782 -28.174 113 HG2 LYS 15 HG2 LYS 15 0.519 -14.971 -29.824 114 HG3 LYS 15 HG3 LYS 15 2.265 -14.776 -30.013 115 HD2 LYS 15 HD2 LYS 15 0.722 -17.329 -30.642 116 HD3 LYS 15 HD3 LYS 15 1.197 -16.102 -31.824 117 HE2 LYS 15 HE2 LYS 15 3.589 -16.468 -31.251 118 HE3 LYS 15 HE3 LYS 15 3.117 -17.722 -30.102 119 HZ1 LYS 15 HZ1 LYS 15 2.622 -17.819 -33.024 120 HZ2 LYS 15 HZ2 LYS 15 3.743 -18.692 -32.227 121 HZ3 LYS 15 HZ3 LYS 15 2.159 -18.971 -31.967 122 H THR 16 H THR 16 2.854 -17.016 -26.251 123 HA THR 16 HA THR 16 1.408 -17.391 -23.827 124 HB THR 16 HB THR 16 4.292 -18.203 -24.343 125 HG1 THR 16 HG1 THR 16 3.346 -20.044 -25.255 126 HG21 THR 16 HG21 THR 16 2.060 -19.464 -22.682 127 HG22 THR 16 HG22 THR 16 3.627 -20.231 -23.046 128 HG23 THR 16 HG23 THR 16 3.575 -18.759 -22.073 129 H THR 17 H THR 17 3.915 -15.113 -24.566 130 HA THR 17 HA THR 17 5.198 -14.651 -22.194 131 HB THR 17 HB THR 17 5.700 -13.537 -24.325 132 HG1 THR 17 HG1 THR 17 6.681 -12.710 -22.560 133 HG21 THR 17 HG21 THR 17 4.622 -11.560 -25.065 134 HG22 THR 17 HG22 THR 17 3.297 -12.732 -24.775 135 HG23 THR 17 HG23 THR 17 3.622 -11.440 -23.612 136 H LEU 18 H LEU 18 2.083 -12.952 -23.006 137 HA LEU 18 HA LEU 18 1.848 -11.587 -20.544 138 HB2 LEU 18 HB2 LEU 18 -0.428 -11.175 -21.211 139 HB3 LEU 18 HB3 LEU 18 0.648 -11.048 -22.586 140 HG LEU 18 HG LEU 18 -0.094 -13.621 -22.971 141 HD11 LEU 18 HD11 LEU 18 -2.430 -14.011 -22.511 142 HD12 LEU 18 HD12 LEU 18 -1.657 -13.697 -20.959 143 HD13 LEU 18 HD13 LEU 18 -2.623 -12.429 -21.735 144 HD21 LEU 18 HD21 LEU 18 -1.768 -11.196 -23.700 145 HD22 LEU 18 HD22 LEU 18 -0.345 -11.796 -24.576 146 HD23 LEU 18 HD23 LEU 18 -1.800 -12.793 -24.507 147 H ASP 19 H ASP 19 1.292 -14.873 -21.259 148 HA ASP 19 HA ASP 19 -0.683 -15.436 -19.147 149 HB2 ASP 19 HB2 ASP 19 -0.199 -16.590 -21.473 150 HB3 ASP 19 HB3 ASP 19 0.983 -17.529 -20.589 151 H GLU 20 H GLU 20 2.595 -16.595 -19.906 152 HA GLU 20 HA GLU 20 3.173 -17.593 -17.337 153 HB2 GLU 20 HB2 GLU 20 5.403 -17.869 -18.056 154 HB3 GLU 20 HB3 GLU 20 4.355 -18.175 -19.442 155 HG2 GLU 20 HG2 GLU 20 4.880 -15.967 -20.371 156 HG3 GLU 20 HG3 GLU 20 5.853 -15.567 -18.955 157 H LEU 21 H LEU 21 3.344 -14.361 -18.650 158 HA LEU 21 HA LEU 21 4.864 -13.126 -16.492 159 HB2 LEU 21 HB2 LEU 21 3.111 -12.167 -18.742 160 HB3 LEU 21 HB3 LEU 21 3.339 -11.087 -17.420 161 HG LEU 21 HG LEU 21 4.887 -11.021 -19.545 162 HD11 LEU 21 HD11 LEU 21 5.902 -10.701 -16.699 163 HD12 LEU 21 HD12 LEU 21 6.626 -9.930 -18.137 164 HD13 LEU 21 HD13 LEU 21 4.984 -9.493 -17.630 165 HD21 LEU 21 HD21 LEU 21 6.621 -12.807 -17.773 166 HD22 LEU 21 HD22 LEU 21 5.907 -13.299 -19.325 167 HD23 LEU 21 HD23 LEU 21 7.087 -11.987 -19.272 168 H ALA 22 H ALA 22 1.263 -13.203 -17.142 169 HA ALA 22 HA ALA 22 0.581 -12.002 -14.706 170 HB1 ALA 22 HB1 ALA 22 -1.006 -13.978 -16.393 171 HB2 ALA 22 HB2 ALA 22 -1.665 -12.915 -15.131 172 HB3 ALA 22 HB3 ALA 22 -0.946 -12.210 -16.589 173 H ARG 23 H ARG 23 1.002 -15.442 -15.429 174 HA ARG 23 HA ARG 23 0.441 -16.581 -12.873 175 HB2 ARG 23 HB2 ARG 23 2.255 -17.415 -15.170 176 HB3 ARG 23 HB3 ARG 23 1.981 -18.436 -13.759 177 HG2 ARG 23 HG2 ARG 23 -0.270 -18.827 -14.277 178 HG3 ARG 23 HG3 ARG 23 -0.425 -17.372 -15.251 179 HD2 ARG 23 HD2 ARG 23 -0.523 -19.260 -16.702 180 HD3 ARG 23 HD3 ARG 23 0.963 -18.375 -17.041 181 HE ARG 23 HE ARG 23 1.571 -20.430 -15.173 182 HH11 ARG 23 HH11 ARG 23 2.594 -22.301 -15.843 183 HH12 ARG 23 HH12 ARG 23 2.528 -22.795 -17.511 184 HH21 ARG 23 HH21 ARG 23 0.573 -20.159 -18.537 185 HH22 ARG 23 HH22 ARG 23 1.421 -21.612 -19.007 186 H LYS 24 H LYS 24 3.754 -15.865 -14.175 187 HA LYS 24 HA LYS 24 4.991 -16.356 -11.645 188 HB2 LYS 24 HB2 LYS 24 6.009 -14.991 -14.160 189 HB3 LYS 24 HB3 LYS 24 7.003 -15.241 -12.725 190 HG2 LYS 24 HG2 LYS 24 6.632 -17.650 -12.772 191 HG3 LYS 24 HG3 LYS 24 5.595 -17.520 -14.187 192 HD2 LYS 24 HD2 LYS 24 8.517 -16.637 -14.151 193 HD3 LYS 24 HD3 LYS 24 7.984 -18.269 -14.585 194 HE2 LYS 24 HE2 LYS 24 6.549 -17.329 -16.364 195 HE3 LYS 24 HE3 LYS 24 7.152 -15.712 -16.018 196 HZ1 LYS 24 HZ1 LYS 24 8.903 -17.980 -16.808 197 HZ2 LYS 24 HZ2 LYS 24 8.328 -16.907 -17.866 198 HZ3 LYS 24 HZ3 LYS 24 9.348 -16.411 -16.690 199 H ALA 25 H ALA 25 4.020 -13.226 -13.117 200 HA ALA 25 HA ALA 25 4.978 -11.535 -10.983 201 HB1 ALA 25 HB1 ALA 25 2.557 -11.138 -12.781 202 HB2 ALA 25 HB2 ALA 25 3.386 -9.909 -11.826 203 HB3 ALA 25 HB3 ALA 25 4.232 -10.676 -13.186 204 H LYS 26 H LYS 26 1.497 -12.781 -11.340 205 HA LYS 26 HA LYS 26 0.892 -11.903 -8.746 206 HB2 LYS 26 HB2 LYS 26 -0.698 -12.707 -10.587 207 HB3 LYS 26 HB3 LYS 26 -0.354 -14.350 -10.046 208 HG2 LYS 26 HG2 LYS 26 -2.221 -13.896 -8.746 209 HG3 LYS 26 HG3 LYS 26 -0.972 -13.340 -7.643 210 HD2 LYS 26 HD2 LYS 26 -1.395 -11.005 -8.952 211 HD3 LYS 26 HD3 LYS 26 -2.979 -11.773 -9.229 212 HE2 LYS 26 HE2 LYS 26 -2.689 -12.375 -6.623 213 HE3 LYS 26 HE3 LYS 26 -1.540 -11.035 -6.699 214 HZ1 LYS 26 HZ1 LYS 26 -3.319 -9.601 -7.405 215 HZ2 LYS 26 HZ2 LYS 26 -4.415 -10.821 -7.447 216 HZ3 LYS 26 HZ3 LYS 26 -3.774 -10.331 -6.024 217 H GLU 27 H GLU 27 2.514 -14.981 -9.641 218 HA GLU 27 HA GLU 27 2.507 -16.110 -7.007 219 HB2 GLU 27 HB2 GLU 27 4.262 -16.455 -9.441 220 HB3 GLU 27 HB3 GLU 27 4.734 -17.157 -7.899 221 HG2 GLU 27 HG2 GLU 27 2.566 -18.345 -7.754 222 HG3 GLU 27 HG3 GLU 27 2.056 -17.652 -9.283 223 H GLU 28 H GLU 28 5.045 -13.964 -8.480 224 HA GLU 28 HA GLU 28 6.445 -13.795 -5.911 225 HB2 GLU 28 HB2 GLU 28 7.935 -12.243 -6.923 226 HB3 GLU 28 HB3 GLU 28 7.760 -13.667 -7.931 227 HG2 GLU 28 HG2 GLU 28 6.642 -12.483 -9.640 228 HG3 GLU 28 HG3 GLU 28 6.134 -11.195 -8.565 229 H VAL 29 H VAL 29 3.915 -11.952 -7.370 230 HA VAL 29 HA VAL 29 3.811 -10.053 -5.088 231 HB VAL 29 HB VAL 29 3.253 -8.207 -6.502 232 HG11 VAL 29 HG11 VAL 29 5.650 -8.631 -5.827 233 HG12 VAL 29 HG12 VAL 29 5.900 -9.360 -7.438 234 HG13 VAL 29 HG13 VAL 29 5.447 -7.660 -7.308 235 HG21 VAL 29 HG21 VAL 29 2.560 -9.615 -8.569 236 HG22 VAL 29 HG22 VAL 29 3.471 -8.108 -8.849 237 HG23 VAL 29 HG23 VAL 29 4.287 -9.681 -8.938 238 HA PRO 30 HA PRO 30 -0.226 -12.250 -5.617 239 HB2 PRO 30 HB2 PRO 30 -0.513 -12.897 -2.963 240 HB3 PRO 30 HB3 PRO 30 0.400 -13.899 -4.142 241 HG2 PRO 30 HG2 PRO 30 1.457 -11.855 -2.167 242 HG3 PRO 30 HG3 PRO 30 2.076 -13.514 -2.486 243 HD2 PRO 30 HD2 PRO 30 3.196 -11.307 -3.641 244 HD3 PRO 30 HD3 PRO 30 3.042 -12.843 -4.550 245 H ASP 31 H ASP 31 0.908 -9.481 -4.063 246 HA ASP 31 HA ASP 31 -1.693 -8.494 -3.014 247 HB2 ASP 31 HB2 ASP 31 0.619 -8.134 -1.971 248 HB3 ASP 31 HB3 ASP 31 0.995 -7.098 -3.326 249 H ALA 32 H ALA 32 0.255 -8.381 -5.865 250 HA ALA 32 HA ALA 32 -0.662 -5.818 -6.836 251 HB1 ALA 32 HB1 ALA 32 0.954 -8.001 -8.225 252 HB2 ALA 32 HB2 ALA 32 0.867 -6.308 -8.724 253 HB3 ALA 32 HB3 ALA 32 1.659 -6.735 -7.189 254 H GLU 33 H GLU 33 -1.548 -5.497 -9.080 255 HA GLU 33 HA GLU 33 -3.541 -7.657 -9.748 256 HB2 GLU 33 HB2 GLU 33 -3.973 -4.892 -10.765 257 HB3 GLU 33 HB3 GLU 33 -5.126 -6.134 -10.399 258 HG2 GLU 33 HG2 GLU 33 -3.604 -4.502 -8.322 259 HG3 GLU 33 HG3 GLU 33 -5.179 -4.117 -8.965 260 H ILE 34 H ILE 34 -2.871 -8.826 -11.417 261 HA ILE 34 HA ILE 34 -1.371 -7.508 -13.577 262 HB ILE 34 HB ILE 34 -1.683 -10.484 -13.344 263 HG12 ILE 34 HG12 ILE 34 -1.109 -9.977 -11.072 264 HG13 ILE 34 HG13 ILE 34 0.213 -10.721 -11.889 265 HG21 ILE 34 HG21 ILE 34 0.850 -10.029 -14.139 266 HG22 ILE 34 HG22 ILE 34 -0.536 -10.028 -15.261 267 HG23 ILE 34 HG23 ILE 34 0.132 -8.515 -14.680 268 HD11 ILE 34 HD11 ILE 34 0.904 -8.930 -10.353 269 HD12 ILE 34 HD12 ILE 34 1.439 -8.617 -12.022 270 HD13 ILE 34 HD13 ILE 34 0.073 -7.714 -11.348 271 H ARG 35 H ARG 35 -2.258 -7.106 -15.479 272 HA ARG 35 HA ARG 35 -4.357 -8.838 -16.607 273 HB2 ARG 35 HB2 ARG 35 -5.925 -6.959 -17.070 274 HB3 ARG 35 HB3 ARG 35 -5.818 -7.369 -15.378 275 HG2 ARG 35 HG2 ARG 35 -4.241 -5.054 -16.577 276 HG3 ARG 35 HG3 ARG 35 -5.903 -4.964 -15.972 277 HD2 ARG 35 HD2 ARG 35 -4.748 -6.207 -13.858 278 HD3 ARG 35 HD3 ARG 35 -3.380 -5.328 -14.443 279 HE ARG 35 HE ARG 35 -4.775 -3.209 -14.152 280 HH11 ARG 35 HH11 ARG 35 -6.375 -6.075 -12.811 281 HH12 ARG 35 HH12 ARG 35 -7.488 -5.011 -11.954 282 HH21 ARG 35 HH21 ARG 35 -6.317 -2.097 -13.017 283 HH22 ARG 35 HH22 ARG 35 -7.389 -3.039 -11.988 284 H THR 36 H THR 36 -5.143 -8.040 -18.805 285 HA THR 36 HA THR 36 -2.914 -6.722 -20.283 286 HB THR 36 HB THR 36 -3.103 -8.146 -22.134 287 HG1 THR 36 HG1 THR 36 -5.287 -9.460 -20.934 288 HG21 THR 36 HG21 THR 36 -3.516 -10.211 -19.966 289 HG22 THR 36 HG22 THR 36 -2.501 -10.248 -21.431 290 HG23 THR 36 HG23 THR 36 -2.030 -9.252 -20.035 291 H VAL 37 H VAL 37 -3.456 -5.835 -22.375 292 HA VAL 37 HA VAL 37 -6.279 -5.005 -22.832 293 HB VAL 37 HB VAL 37 -6.063 -2.920 -22.572 294 HG11 VAL 37 HG11 VAL 37 -3.405 -3.339 -21.248 295 HG12 VAL 37 HG12 VAL 37 -4.467 -1.906 -21.130 296 HG13 VAL 37 HG13 VAL 37 -5.048 -3.463 -20.510 297 HG21 VAL 37 HG21 VAL 37 -4.186 -1.458 -23.259 298 HG22 VAL 37 HG22 VAL 37 -3.450 -2.876 -24.023 299 HG23 VAL 37 HG23 VAL 37 -5.108 -2.326 -24.491 300 H THR 38 H THR 38 -6.788 -4.455 -24.860 301 HA THR 38 HA THR 38 -4.790 -5.109 -27.028 302 HB THR 38 HB THR 38 -6.248 -7.018 -26.639 303 HG1 THR 38 HG1 THR 38 -6.570 -5.673 -29.109 304 HG21 THR 38 HG21 THR 38 -8.581 -7.017 -27.347 305 HG22 THR 38 HG22 THR 38 -8.298 -6.013 -25.912 306 HG23 THR 38 HG23 THR 38 -8.540 -5.247 -27.506 307 H THR 39 H THR 39 -7.251 -2.925 -25.998 308 HA THR 39 HA THR 39 -6.765 -1.100 -28.274 309 HB THR 39 HB THR 39 -9.414 -0.810 -28.235 310 HG1 THR 39 HG1 THR 39 -10.391 -2.868 -28.118 311 HG21 THR 39 HG21 THR 39 -8.224 -3.133 -29.766 312 HG22 THR 39 HG22 THR 39 -9.675 -2.186 -30.161 313 HG23 THR 39 HG23 THR 39 -8.086 -1.411 -30.235 314 H LYS 40 H LYS 40 -8.058 0.927 -27.951 315 HA LYS 40 HA LYS 40 -7.224 2.308 -25.709 316 HB2 LYS 40 HB2 LYS 40 -8.511 4.116 -26.509 317 HB3 LYS 40 HB3 LYS 40 -8.062 3.211 -27.941 318 HG2 LYS 40 HG2 LYS 40 -10.774 3.260 -26.550 319 HG3 LYS 40 HG3 LYS 40 -10.322 4.086 -28.029 320 HD2 LYS 40 HD2 LYS 40 -10.087 1.907 -29.197 321 HD3 LYS 40 HD3 LYS 40 -10.583 1.056 -27.720 322 HE2 LYS 40 HE2 LYS 40 -12.705 2.375 -27.701 323 HE3 LYS 40 HE3 LYS 40 -12.216 3.146 -29.200 324 HZ1 LYS 40 HZ1 LYS 40 -12.216 0.885 -30.221 325 HZ2 LYS 40 HZ2 LYS 40 -12.808 0.255 -28.829 326 HZ3 LYS 40 HZ3 LYS 40 -13.688 1.324 -29.661 327 H GLU 41 H GLU 41 -10.094 0.415 -26.039 328 HA GLU 41 HA GLU 41 -11.492 1.494 -23.724 329 HB2 GLU 41 HB2 GLU 41 -13.131 -0.282 -24.245 330 HB3 GLU 41 HB3 GLU 41 -12.710 0.697 -25.658 331 HG2 GLU 41 HG2 GLU 41 -11.127 -1.081 -26.391 332 HG3 GLU 41 HG3 GLU 41 -11.646 -2.102 -25.068 333 H ASP 42 H ASP 42 -9.614 -1.470 -24.459 334 HA ASP 42 HA ASP 42 -9.956 -2.592 -21.815 335 HB2 ASP 42 HB2 ASP 42 -7.880 -3.096 -23.975 336 HB3 ASP 42 HB3 ASP 42 -7.952 -3.891 -22.422 337 H ALA 43 H ALA 43 -7.519 -0.489 -23.318 338 HA ALA 43 HA ALA 43 -5.818 -0.286 -21.004 339 HB1 ALA 43 HB1 ALA 43 -6.392 1.564 -23.357 340 HB2 ALA 43 HB2 ALA 43 -5.182 1.922 -22.097 341 HB3 ALA 43 HB3 ALA 43 -5.014 0.462 -23.086 342 H LYS 44 H LYS 44 -8.661 1.598 -22.053 343 HA LYS 44 HA LYS 44 -8.680 3.351 -19.828 344 HB2 LYS 44 HB2 LYS 44 -9.912 3.834 -21.846 345 HB3 LYS 44 HB3 LYS 44 -11.047 2.508 -21.531 346 HG2 LYS 44 HG2 LYS 44 -11.998 3.571 -19.691 347 HG3 LYS 44 HG3 LYS 44 -10.557 4.527 -19.336 348 HD2 LYS 44 HD2 LYS 44 -10.982 5.834 -21.457 349 HD3 LYS 44 HD3 LYS 44 -12.583 5.074 -21.520 350 HE2 LYS 44 HE2 LYS 44 -11.430 6.660 -19.169 351 HE3 LYS 44 HE3 LYS 44 -12.504 7.343 -20.384 352 HZ1 LYS 44 HZ1 LYS 44 -13.770 6.681 -18.438 353 HZ2 LYS 44 HZ2 LYS 44 -14.210 5.718 -19.679 354 HZ3 LYS 44 HZ3 LYS 44 -13.227 5.158 -18.500 355 H ARG 45 H ARG 45 -10.362 0.187 -20.193 356 HA ARG 45 HA ARG 45 -11.670 0.369 -17.653 357 HB2 ARG 45 HB2 ARG 45 -12.558 -1.688 -17.958 358 HB3 ARG 45 HB3 ARG 45 -12.355 -1.072 -19.594 359 HG2 ARG 45 HG2 ARG 45 -10.207 -2.465 -19.682 360 HG3 ARG 45 HG3 ARG 45 -10.718 -3.212 -18.168 361 HD2 ARG 45 HD2 ARG 45 -12.788 -4.014 -19.253 362 HD3 ARG 45 HD3 ARG 45 -12.353 -3.147 -20.733 363 HE ARG 45 HE ARG 45 -10.907 -4.809 -21.353 364 HH11 ARG 45 HH11 ARG 45 -9.842 -6.536 -21.366 365 HH12 ARG 45 HH12 ARG 45 -9.689 -7.608 -19.975 366 HH21 ARG 45 HH21 ARG 45 -11.609 -5.493 -17.990 367 HH22 ARG 45 HH22 ARG 45 -10.715 -7.002 -18.055 368 H VAL 46 H VAL 46 -8.667 -1.408 -18.564 369 HA VAL 46 HA VAL 46 -8.181 -2.352 -15.922 370 HB VAL 46 HB VAL 46 -5.953 -2.795 -16.504 371 HG11 VAL 46 HG11 VAL 46 -7.732 -4.304 -17.381 372 HG12 VAL 46 HG12 VAL 46 -7.714 -3.433 -18.919 373 HG13 VAL 46 HG13 VAL 46 -6.272 -4.317 -18.393 374 HG21 VAL 46 HG21 VAL 46 -4.884 -2.295 -18.604 375 HG22 VAL 46 HG22 VAL 46 -6.229 -1.207 -19.042 376 HG23 VAL 46 HG23 VAL 46 -5.189 -0.860 -17.637 377 H ALA 47 H ALA 47 -7.149 0.691 -17.431 378 HA ALA 47 HA ALA 47 -5.679 1.512 -15.093 379 HB1 ALA 47 HB1 ALA 47 -6.755 3.286 -17.295 380 HB2 ALA 47 HB2 ALA 47 -5.292 3.505 -16.272 381 HB3 ALA 47 HB3 ALA 47 -5.362 2.239 -17.517 382 H GLU 48 H GLU 48 -8.952 2.570 -16.328 383 HA GLU 48 HA GLU 48 -9.535 4.191 -14.088 384 HB2 GLU 48 HB2 GLU 48 -11.712 4.318 -14.828 385 HB3 GLU 48 HB3 GLU 48 -10.739 4.167 -16.298 386 HG2 GLU 48 HG2 GLU 48 -11.214 1.656 -16.168 387 HG3 GLU 48 HG3 GLU 48 -12.324 1.971 -14.883 388 H GLU 49 H GLU 49 -9.363 0.716 -14.306 389 HA GLU 49 HA GLU 49 -10.799 0.246 -11.774 390 HB2 GLU 49 HB2 GLU 49 -10.121 -1.552 -13.767 391 HB3 GLU 49 HB3 GLU 49 -8.710 -1.674 -12.776 392 HG2 GLU 49 HG2 GLU 49 -10.370 -1.916 -10.743 393 HG3 GLU 49 HG3 GLU 49 -11.566 -2.272 -11.987 394 H ALA 50 H ALA 50 -7.368 0.313 -12.842 395 HA ALA 50 HA ALA 50 -6.139 -0.173 -10.340 396 HB1 ALA 50 HB1 ALA 50 -5.220 1.452 -12.716 397 HB2 ALA 50 HB2 ALA 50 -4.180 0.979 -11.369 398 HB3 ALA 50 HB3 ALA 50 -4.893 -0.281 -12.416 399 H GLU 51 H GLU 51 -7.428 2.926 -11.597 400 HA GLU 51 HA GLU 51 -6.173 4.475 -9.470 401 HB2 GLU 51 HB2 GLU 51 -7.527 6.303 -10.177 402 HB3 GLU 51 HB3 GLU 51 -6.910 5.451 -11.600 403 HG2 GLU 51 HG2 GLU 51 -9.022 4.454 -12.048 404 HG3 GLU 51 HG3 GLU 51 -9.717 5.011 -10.523 405 H ARG 52 H ARG 52 -8.924 2.465 -9.588 406 HA ARG 52 HA ARG 52 -10.458 3.671 -7.392 407 HB2 ARG 52 HB2 ARG 52 -10.674 0.762 -8.262 408 HB3 ARG 52 HB3 ARG 52 -11.893 1.745 -7.476 409 HG2 ARG 52 HG2 ARG 52 -10.811 2.086 -10.283 410 HG3 ARG 52 HG3 ARG 52 -12.367 1.374 -9.890 411 HD2 ARG 52 HD2 ARG 52 -11.539 4.265 -9.416 412 HD3 ARG 52 HD3 ARG 52 -12.636 3.688 -10.672 413 HE ARG 52 HE ARG 52 -14.004 2.811 -8.575 414 HH11 ARG 52 HH11 ARG 52 -12.479 5.962 -8.889 415 HH12 ARG 52 HH12 ARG 52 -13.596 6.708 -7.772 416 HH21 ARG 52 HH21 ARG 52 -15.368 3.828 -7.142 417 HH22 ARG 52 HH22 ARG 52 -15.169 5.529 -6.825 418 H ARG 53 H ARG 53 -8.128 1.123 -7.650 419 HA ARG 53 HA ARG 53 -8.005 0.666 -4.706 420 HB2 ARG 53 HB2 ARG 53 -6.717 -1.328 -5.297 421 HB3 ARG 53 HB3 ARG 53 -8.300 -1.307 -6.047 422 HG2 ARG 53 HG2 ARG 53 -6.474 -0.087 -7.919 423 HG3 ARG 53 HG3 ARG 53 -5.652 -1.497 -7.280 424 HD2 ARG 53 HD2 ARG 53 -8.438 -1.528 -8.485 425 HD3 ARG 53 HD3 ARG 53 -6.961 -2.045 -9.303 426 HE ARG 53 HE ARG 53 -6.732 -3.732 -7.349 427 HH11 ARG 53 HH11 ARG 53 -7.573 -5.484 -6.711 428 HH12 ARG 53 HH12 ARG 53 -9.281 -5.862 -6.904 429 HH21 ARG 53 HH21 ARG 53 -9.913 -2.874 -8.560 430 HH22 ARG 53 HH22 ARG 53 -10.601 -4.363 -7.944 431 H ASN 54 H ASN 54 -6.496 2.536 -6.959 432 HA ASN 54 HA ASN 54 -4.711 3.975 -6.879 433 HB2 ASN 54 HB2 ASN 54 -5.440 3.479 -4.074 434 HB3 ASN 54 HB3 ASN 54 -3.804 4.074 -4.263 435 HD21 ASN 54 HD21 ASN 54 -6.927 5.013 -5.959 436 HD22 ASN 54 HD22 ASN 54 -6.681 6.703 -5.572 437 H ALA 55 H ALA 55 -3.913 2.109 -8.112 438 HA ALA 55 HA ALA 55 -1.882 0.405 -7.091 439 HB1 ALA 55 HB1 ALA 55 -2.324 1.427 -9.905 440 HB2 ALA 55 HB2 ALA 55 -1.300 0.058 -9.407 441 HB3 ALA 55 HB3 ALA 55 -3.080 0.010 -9.116 442 H ASP 56 H ASP 56 -0.482 1.678 -5.792 443 HA ASP 56 HA ASP 56 0.671 4.083 -6.329 444 HB2 ASP 56 HB2 ASP 56 0.991 2.098 -4.370 445 HB3 ASP 56 HB3 ASP 56 2.603 2.309 -5.001 446 H ILE 57 H ILE 57 1.779 0.980 -7.569 447 HA ILE 57 HA ILE 57 3.580 2.408 -9.457 448 HB ILE 57 HB ILE 57 4.406 -0.316 -8.456 449 HG12 ILE 57 HG12 ILE 57 4.884 2.267 -6.925 450 HG13 ILE 57 HG13 ILE 57 4.145 0.772 -6.343 451 HG21 ILE 57 HG21 ILE 57 5.947 2.135 -9.410 452 HG22 ILE 57 HG22 ILE 57 6.603 0.498 -9.196 453 HG23 ILE 57 HG23 ILE 57 5.419 0.799 -10.465 454 HD11 ILE 57 HD11 ILE 57 6.330 -0.392 -6.578 455 HD12 ILE 57 HD12 ILE 57 7.063 1.172 -7.033 456 HD13 ILE 57 HD13 ILE 57 6.350 0.969 -5.430 457 H VAL 58 H VAL 58 3.043 2.024 -11.466 458 HA VAL 58 HA VAL 58 1.581 -0.459 -12.268 459 HB VAL 58 HB VAL 58 0.771 1.317 -14.119 460 HG11 VAL 58 HG11 VAL 58 -0.398 0.908 -11.367 461 HG12 VAL 58 HG12 VAL 58 -1.265 1.658 -12.729 462 HG13 VAL 58 HG13 VAL 58 -0.733 -0.018 -12.865 463 HG21 VAL 58 HG21 VAL 58 2.040 3.205 -12.885 464 HG22 VAL 58 HG22 VAL 58 0.326 3.476 -13.226 465 HG23 VAL 58 HG23 VAL 58 0.898 3.039 -11.580 466 H VAL 59 H VAL 59 3.174 -1.668 -12.894 467 HA VAL 59 HA VAL 59 5.240 -0.870 -14.836 468 HB VAL 59 HB VAL 59 4.505 -3.533 -13.549 469 HG11 VAL 59 HG11 VAL 59 6.921 -2.801 -15.249 470 HG12 VAL 59 HG12 VAL 59 6.725 -4.321 -14.355 471 HG13 VAL 59 HG13 VAL 59 5.644 -3.949 -15.703 472 HG21 VAL 59 HG21 VAL 59 5.432 -1.889 -11.937 473 HG22 VAL 59 HG22 VAL 59 6.544 -3.227 -12.228 474 HG23 VAL 59 HG23 VAL 59 6.839 -1.655 -13.000 475 H ILE 60 H ILE 60 4.351 -0.427 -16.843 476 HA ILE 60 HA ILE 60 2.319 -2.202 -18.039 477 HB ILE 60 HB ILE 60 3.855 0.016 -19.351 478 HG12 ILE 60 HG12 ILE 60 2.821 1.022 -17.267 479 HG13 ILE 60 HG13 ILE 60 2.374 1.739 -18.795 480 HG21 ILE 60 HG21 ILE 60 1.136 -1.232 -19.919 481 HG22 ILE 60 HG22 ILE 60 1.747 0.236 -20.716 482 HG23 ILE 60 HG23 ILE 60 2.594 -1.302 -20.920 483 HD11 ILE 60 HD11 ILE 60 0.192 0.598 -18.706 484 HD12 ILE 60 HD12 ILE 60 0.673 -0.157 -17.145 485 HD13 ILE 60 HD13 ILE 60 0.486 1.601 -17.297 486 H VAL 61 H VAL 61 2.854 -3.738 -19.620 487 HA VAL 61 HA VAL 61 5.706 -4.109 -20.437 488 HB VAL 61 HB VAL 61 3.609 -6.252 -20.223 489 HG11 VAL 61 HG11 VAL 61 5.454 -6.764 -21.776 490 HG12 VAL 61 HG12 VAL 61 6.639 -6.381 -20.508 491 HG13 VAL 61 HG13 VAL 61 5.552 -7.768 -20.325 492 HG21 VAL 61 HG21 VAL 61 4.799 -7.014 -18.185 493 HG22 VAL 61 HG22 VAL 61 5.814 -5.560 -18.228 494 HG23 VAL 61 HG23 VAL 61 4.070 -5.424 -17.939 495 H GLY 62 H GLY 62 5.968 -3.486 -22.564 496 HA2 GLY 62 HA2 GLY 62 4.157 -4.507 -24.648 497 HA3 GLY 62 HA3 GLY 62 4.178 -2.760 -24.434 498 HA PRO 63 HA PRO 63 7.153 -4.461 -27.701 499 HB2 PRO 63 HB2 PRO 63 5.820 -2.261 -29.275 500 HB3 PRO 63 HB3 PRO 63 6.230 -3.920 -29.760 501 HG2 PRO 63 HG2 PRO 63 3.668 -3.178 -29.158 502 HG3 PRO 63 HG3 PRO 63 4.315 -4.793 -28.685 503 HD2 PRO 63 HD2 PRO 63 4.053 -2.304 -26.962 504 HD3 PRO 63 HD3 PRO 63 3.610 -3.996 -26.612 505 H SER 64 H SER 64 6.288 -1.045 -27.456 506 HA SER 64 HA SER 64 9.050 -0.124 -26.896 507 HB2 SER 64 HB2 SER 64 9.213 1.231 -28.905 508 HB3 SER 64 HB3 SER 64 9.015 -0.478 -29.331 509 HG SER 64 HG SER 64 7.636 0.813 -30.581 510 H GLY 65 H GLY 65 5.642 0.728 -27.412 511 HA2 GLY 65 HA2 GLY 65 4.487 2.386 -26.098 512 HA3 GLY 65 HA3 GLY 65 5.994 3.269 -25.873 513 H SER 66 H SER 66 5.832 2.275 -29.103 514 HA SER 66 HA SER 66 4.151 4.527 -30.060 515 HB2 SER 66 HB2 SER 66 6.582 5.230 -29.897 516 HB3 SER 66 HB3 SER 66 6.940 4.022 -31.144 517 HG SER 66 HG SER 66 6.513 6.139 -31.987 518 H GLY 67 H GLY 67 3.898 4.309 -32.556 519 HA2 GLY 67 HA2 GLY 67 3.383 2.940 -34.450 520 HA3 GLY 67 HA3 GLY 67 3.840 1.498 -33.521 521 H LYS 68 H LYS 68 2.050 0.343 -33.678 522 HA LYS 68 HA LYS 68 -0.594 1.213 -33.038 523 HB2 LYS 68 HB2 LYS 68 -1.083 -1.227 -32.912 524 HB3 LYS 68 HB3 LYS 68 -0.091 -0.836 -34.301 525 HG2 LYS 68 HG2 LYS 68 1.068 -2.649 -33.586 526 HG3 LYS 68 HG3 LYS 68 1.930 -1.427 -32.628 527 HD2 LYS 68 HD2 LYS 68 0.581 -1.928 -30.682 528 HD3 LYS 68 HD3 LYS 68 -0.334 -3.156 -31.576 529 HE2 LYS 68 HE2 LYS 68 2.663 -3.146 -30.996 530 HE3 LYS 68 HE3 LYS 68 1.454 -4.058 -30.096 531 HZ1 LYS 68 HZ1 LYS 68 2.267 -4.518 -32.908 532 HZ2 LYS 68 HZ2 LYS 68 2.410 -5.533 -31.632 533 HZ3 LYS 68 HZ3 LYS 68 0.937 -5.209 -32.259 534 H SER 69 H SER 69 2.061 0.768 -30.960 535 HA SER 69 HA SER 69 0.926 -0.426 -28.687 536 HB2 SER 69 HB2 SER 69 3.259 1.513 -28.735 537 HB3 SER 69 HB3 SER 69 2.922 0.277 -27.515 538 HG SER 69 HG SER 69 4.044 0.040 -30.007 539 H THR 70 H THR 70 -0.360 2.349 -29.701 540 HA THR 70 HA THR 70 -0.299 4.304 -27.780 541 HB THR 70 HB THR 70 -2.941 3.486 -28.918 542 HG1 THR 70 HG1 THR 70 -2.308 4.423 -30.900 543 HG21 THR 70 HG21 THR 70 -2.710 5.624 -27.635 544 HG22 THR 70 HG22 THR 70 -1.508 6.177 -28.816 545 HG23 THR 70 HG23 THR 70 -3.196 5.890 -29.315 546 H LEU 71 H LEU 71 -2.139 1.251 -27.563 547 HA LEU 71 HA LEU 71 -3.840 1.841 -25.440 548 HB2 LEU 71 HB2 LEU 71 -2.519 -0.851 -25.516 549 HB3 LEU 71 HB3 LEU 71 -4.183 -0.394 -25.209 550 HG LEU 71 HG LEU 71 -4.411 -1.514 -27.128 551 HD11 LEU 71 HD11 LEU 71 -4.958 -0.131 -28.961 552 HD12 LEU 71 HD12 LEU 71 -5.240 0.883 -27.507 553 HD13 LEU 71 HD13 LEU 71 -3.811 1.111 -28.536 554 HD21 LEU 71 HD21 LEU 71 -2.125 -2.057 -27.555 555 HD22 LEU 71 HD22 LEU 71 -2.901 -1.518 -29.053 556 HD23 LEU 71 HD23 LEU 71 -1.788 -0.437 -28.206 557 H ALA 72 H ALA 72 -0.421 1.001 -25.316 558 HA ALA 72 HA ALA 72 -0.207 0.680 -22.441 559 HB1 ALA 72 HB1 ALA 72 1.902 1.262 -24.568 560 HB2 ALA 72 HB2 ALA 72 2.231 0.790 -22.888 561 HB3 ALA 72 HB3 ALA 72 1.416 -0.340 -23.972 562 H LYS 73 H LYS 73 0.544 3.430 -24.673 563 HA LYS 73 HA LYS 73 1.102 5.193 -22.444 564 HB2 LYS 73 HB2 LYS 73 1.120 7.065 -23.899 565 HB3 LYS 73 HB3 LYS 73 2.100 5.767 -24.551 566 HG2 LYS 73 HG2 LYS 73 0.834 5.525 -26.409 567 HG3 LYS 73 HG3 LYS 73 -0.701 5.844 -25.572 568 HD2 LYS 73 HD2 LYS 73 1.230 8.084 -26.160 569 HD3 LYS 73 HD3 LYS 73 0.042 7.516 -27.345 570 HE2 LYS 73 HE2 LYS 73 -1.785 7.821 -25.664 571 HE3 LYS 73 HE3 LYS 73 -0.615 8.475 -24.527 572 HZ1 LYS 73 HZ1 LYS 73 -0.169 10.270 -26.134 573 HZ2 LYS 73 HZ2 LYS 73 -1.264 9.666 -27.182 574 HZ3 LYS 73 HZ3 LYS 73 -1.752 10.254 -25.751 575 H ILE 74 H ILE 74 -1.932 4.354 -24.029 576 HA ILE 74 HA ILE 74 -3.506 6.426 -22.856 577 HB ILE 74 HB ILE 74 -4.224 3.641 -23.827 578 HG12 ILE 74 HG12 ILE 74 -5.014 6.351 -24.979 579 HG13 ILE 74 HG13 ILE 74 -3.514 5.578 -25.430 580 HG21 ILE 74 HG21 ILE 74 -6.614 4.299 -23.699 581 HG22 ILE 74 HG22 ILE 74 -5.900 4.231 -22.100 582 HG23 ILE 74 HG23 ILE 74 -6.155 5.807 -22.882 583 HD11 ILE 74 HD11 ILE 74 -4.785 3.580 -26.279 584 HD12 ILE 74 HD12 ILE 74 -6.294 4.432 -25.897 585 HD13 ILE 74 HD13 ILE 74 -5.189 5.090 -27.111 586 H VAL 75 H VAL 75 -2.834 3.037 -21.627 587 HA VAL 75 HA VAL 75 -4.084 3.395 -19.097 588 HB VAL 75 HB VAL 75 -1.609 1.768 -19.843 589 HG11 VAL 75 HG11 VAL 75 -2.023 0.418 -17.838 590 HG12 VAL 75 HG12 VAL 75 -1.738 2.093 -17.350 591 HG13 VAL 75 HG13 VAL 75 -3.387 1.457 -17.376 592 HG21 VAL 75 HG21 VAL 75 -4.490 0.906 -19.538 593 HG22 VAL 75 HG22 VAL 75 -3.531 0.977 -21.055 594 HG23 VAL 75 HG23 VAL 75 -3.101 -0.176 -19.811 595 H LYS 76 H LYS 76 -0.677 3.998 -20.026 596 HA LYS 76 HA LYS 76 0.190 5.054 -17.536 597 HB2 LYS 76 HB2 LYS 76 1.754 4.358 -19.187 598 HB3 LYS 76 HB3 LYS 76 1.181 5.539 -20.363 599 HG2 LYS 76 HG2 LYS 76 2.312 7.282 -19.442 600 HG3 LYS 76 HG3 LYS 76 2.179 6.681 -17.789 601 HD2 LYS 76 HD2 LYS 76 4.516 6.727 -18.645 602 HD3 LYS 76 HD3 LYS 76 3.973 5.174 -18.034 603 HE2 LYS 76 HE2 LYS 76 5.239 4.663 -19.897 604 HE3 LYS 76 HE3 LYS 76 3.578 4.386 -20.370 605 HZ1 LYS 76 HZ1 LYS 76 5.228 6.746 -21.104 606 HZ2 LYS 76 HZ2 LYS 76 4.818 5.498 -22.061 607 HZ3 LYS 76 HZ3 LYS 76 3.660 6.537 -21.560 608 H LYS 77 H LYS 77 -1.562 6.715 -20.085 609 HA LYS 77 HA LYS 77 -1.341 9.354 -18.799 610 HB2 LYS 77 HB2 LYS 77 -2.995 8.243 -21.090 611 HB3 LYS 77 HB3 LYS 77 -3.343 9.829 -20.423 612 HG2 LYS 77 HG2 LYS 77 -0.573 9.055 -21.443 613 HG3 LYS 77 HG3 LYS 77 -1.817 9.790 -22.454 614 HD2 LYS 77 HD2 LYS 77 -1.897 11.761 -20.940 615 HD3 LYS 77 HD3 LYS 77 -0.600 11.061 -19.964 616 HE2 LYS 77 HE2 LYS 77 0.895 11.038 -21.928 617 HE3 LYS 77 HE3 LYS 77 -0.391 11.716 -22.927 618 HZ1 LYS 77 HZ1 LYS 77 1.145 13.434 -22.146 619 HZ2 LYS 77 HZ2 LYS 77 -0.336 13.706 -21.526 620 HZ3 LYS 77 HZ3 LYS 77 0.840 13.073 -20.588 621 H ILE 78 H ILE 78 -3.783 6.739 -18.686 622 HA ILE 78 HA ILE 78 -5.604 8.275 -17.049 623 HB ILE 78 HB ILE 78 -5.323 5.286 -17.333 624 HG12 ILE 78 HG12 ILE 78 -6.538 7.354 -19.020 625 HG13 ILE 78 HG13 ILE 78 -6.103 5.682 -19.353 626 HG21 ILE 78 HG21 ILE 78 -7.488 6.943 -15.969 627 HG22 ILE 78 HG22 ILE 78 -7.613 5.202 -16.308 628 HG23 ILE 78 HG23 ILE 78 -6.392 5.778 -15.190 629 HD11 ILE 78 HD11 ILE 78 -8.462 6.037 -19.758 630 HD12 ILE 78 HD12 ILE 78 -8.260 4.932 -18.380 631 HD13 ILE 78 HD13 ILE 78 -8.701 6.630 -18.103 632 H ILE 79 H ILE 79 -2.821 6.165 -16.169 633 HA ILE 79 HA ILE 79 -3.477 6.597 -13.333 634 HB ILE 79 HB ILE 79 -1.190 4.983 -14.458 635 HG12 ILE 79 HG12 ILE 79 -3.275 4.049 -15.293 636 HG13 ILE 79 HG13 ILE 79 -2.578 3.006 -14.072 637 HG21 ILE 79 HG21 ILE 79 -2.421 5.422 -11.707 638 HG22 ILE 79 HG22 ILE 79 -1.650 3.879 -12.075 639 HG23 ILE 79 HG23 ILE 79 -0.711 5.380 -12.204 640 HD11 ILE 79 HD11 ILE 79 -4.899 4.948 -13.555 641 HD12 ILE 79 HD12 ILE 79 -5.026 3.227 -13.880 642 HD13 ILE 79 HD13 ILE 79 -4.224 3.789 -12.392 643 H ALA 80 H ALA 80 -1.064 7.881 -15.602 644 HA ALA 80 HA ALA 80 0.684 8.922 -13.737 645 HB1 ALA 80 HB1 ALA 80 -0.205 10.144 -16.385 646 HB2 ALA 80 HB2 ALA 80 1.205 10.680 -15.460 647 HB3 ALA 80 HB3 ALA 80 1.176 9.034 -16.121 648 H ARG 81 H ARG 81 -2.480 10.167 -14.715 649 HA ARG 81 HA ARG 81 -2.334 12.599 -13.062 650 HB2 ARG 81 HB2 ARG 81 -4.579 13.066 -13.964 651 HB3 ARG 81 HB3 ARG 81 -3.431 12.676 -15.238 652 HG2 ARG 81 HG2 ARG 81 -5.189 11.408 -15.960 653 HG3 ARG 81 HG3 ARG 81 -4.321 10.229 -14.966 654 HD2 ARG 81 HD2 ARG 81 -6.677 9.995 -14.624 655 HD3 ARG 81 HD3 ARG 81 -5.937 10.539 -13.145 656 HE ARG 81 HE ARG 81 -7.015 12.630 -13.331 657 HH11 ARG 81 HH11 ARG 81 -7.732 10.771 -16.221 658 HH12 ARG 81 HH12 ARG 81 -8.991 11.883 -16.720 659 HH21 ARG 81 HH21 ARG 81 -8.622 14.000 -14.037 660 HH22 ARG 81 HH22 ARG 81 -9.467 13.648 -15.520 661 H ALA 82 H ALA 82 -3.443 9.299 -12.728 662 HA ALA 82 HA ALA 82 -5.421 9.751 -10.701 663 HB1 ALA 82 HB1 ALA 82 -3.723 7.272 -11.165 664 HB2 ALA 82 HB2 ALA 82 -5.255 7.358 -10.293 665 HB3 ALA 82 HB3 ALA 82 -5.234 7.652 -12.043 666 H GLY 83 H GLY 83 -1.958 9.601 -10.634 667 HA2 GLY 83 HA2 GLY 83 -1.045 11.066 -8.808 668 HA3 GLY 83 HA3 GLY 83 -2.000 10.090 -7.678 669 H ALA 84 H ALA 84 -0.903 7.871 -9.750 670 HA ALA 84 HA ALA 84 1.322 6.963 -8.009 671 HB1 ALA 84 HB1 ALA 84 -0.476 5.736 -10.135 672 HB2 ALA 84 HB2 ALA 84 0.861 4.854 -9.387 673 HB3 ALA 84 HB3 ALA 84 -0.499 5.416 -8.389 674 H LYS 85 H LYS 85 2.760 5.447 -9.642 675 HA LYS 85 HA LYS 85 3.636 7.133 -11.919 676 HB2 LYS 85 HB2 LYS 85 5.944 6.743 -11.408 677 HB3 LYS 85 HB3 LYS 85 5.161 7.494 -10.011 678 HG2 LYS 85 HG2 LYS 85 4.904 5.224 -8.980 679 HG3 LYS 85 HG3 LYS 85 5.708 4.514 -10.331 680 HD2 LYS 85 HD2 LYS 85 6.736 6.363 -8.126 681 HD3 LYS 85 HD3 LYS 85 7.367 4.775 -8.574 682 HE2 LYS 85 HE2 LYS 85 8.425 5.728 -10.573 683 HE3 LYS 85 HE3 LYS 85 7.681 7.299 -10.277 684 HZ1 LYS 85 HZ1 LYS 85 9.055 7.631 -8.377 685 HZ2 LYS 85 HZ2 LYS 85 9.575 6.093 -8.339 686 HZ3 LYS 85 HZ3 LYS 85 10.042 7.095 -9.520 687 H THR 86 H THR 86 3.981 6.239 -13.647 688 HA THR 86 HA THR 86 3.688 3.296 -14.038 689 HB THR 86 HB THR 86 2.956 5.314 -16.156 690 HG1 THR 86 HG1 THR 86 1.180 6.044 -15.237 691 HG21 THR 86 HG21 THR 86 1.929 2.658 -15.416 692 HG22 THR 86 HG22 THR 86 0.715 3.821 -15.935 693 HG23 THR 86 HG23 THR 86 2.102 3.465 -16.991 694 H ILE 87 H ILE 87 4.853 2.166 -15.389 695 HA ILE 87 HA ILE 87 6.929 3.559 -17.029 696 HB ILE 87 HB ILE 87 8.562 1.768 -16.291 697 HG12 ILE 87 HG12 ILE 87 6.917 0.239 -15.301 698 HG13 ILE 87 HG13 ILE 87 8.389 0.533 -14.371 699 HG21 ILE 87 HG21 ILE 87 7.712 3.870 -14.299 700 HG22 ILE 87 HG22 ILE 87 9.256 2.972 -14.287 701 HG23 ILE 87 HG23 ILE 87 8.852 4.038 -15.644 702 HD11 ILE 87 HD11 ILE 87 6.946 0.681 -12.635 703 HD12 ILE 87 HD12 ILE 87 6.596 2.338 -13.243 704 HD13 ILE 87 HD13 ILE 87 5.570 0.984 -13.700 705 H GLU 88 H GLU 88 8.032 2.095 -18.515 706 HA GLU 88 HA GLU 88 6.202 -0.014 -19.597 707 HB2 GLU 88 HB2 GLU 88 7.536 2.248 -21.114 708 HB3 GLU 88 HB3 GLU 88 7.048 0.743 -21.899 709 HG2 GLU 88 HG2 GLU 88 4.731 1.064 -21.106 710 HG3 GLU 88 HG3 GLU 88 5.194 2.604 -20.386 711 H VAL 89 H VAL 89 7.378 -1.682 -18.725 712 HA VAL 89 HA VAL 89 10.280 -1.861 -19.130 713 HB VAL 89 HB VAL 89 10.322 -3.727 -17.726 714 HG11 VAL 89 HG11 VAL 89 10.177 -1.504 -16.662 715 HG12 VAL 89 HG12 VAL 89 8.410 -1.614 -16.607 716 HG13 VAL 89 HG13 VAL 89 9.384 -2.726 -15.652 717 HG21 VAL 89 HG21 VAL 89 8.329 -5.031 -18.246 718 HG22 VAL 89 HG22 VAL 89 8.307 -4.612 -16.544 719 HG23 VAL 89 HG23 VAL 89 7.282 -3.706 -17.684 720 H THR 90 H THR 90 10.457 -1.830 -21.247 721 HA THR 90 HA THR 90 8.923 -3.120 -23.140 722 HB THR 90 HB THR 90 11.796 -2.582 -23.797 723 HG1 THR 90 HG1 THR 90 10.029 -0.502 -23.068 724 HG21 THR 90 HG21 THR 90 9.136 -1.657 -24.980 725 HG22 THR 90 HG22 THR 90 10.739 -1.264 -25.634 726 HG23 THR 90 HG23 THR 90 10.187 -2.945 -25.603 727 H THR 91 H THR 91 9.451 -4.677 -24.740 728 HA THR 91 HA THR 91 10.675 -7.173 -23.879 729 HB THR 91 HB THR 91 10.129 -7.865 -26.249 730 HG1 THR 91 HG1 THR 91 9.014 -6.434 -27.498 731 HG21 THR 91 HG21 THR 91 7.805 -6.535 -24.797 732 HG22 THR 91 HG22 THR 91 7.732 -7.866 -25.972 733 HG23 THR 91 HG23 THR 91 8.480 -8.123 -24.387 734 H GLU 92 H GLU 92 12.573 -5.009 -23.793 735 HA GLU 92 HA GLU 92 14.678 -5.867 -25.663 736 HB2 GLU 92 HB2 GLU 92 13.336 -4.115 -26.856 737 HB3 GLU 92 HB3 GLU 92 13.650 -2.996 -25.539 738 HG2 GLU 92 HG2 GLU 92 15.067 -2.550 -27.482 739 HG3 GLU 92 HG3 GLU 92 16.030 -2.949 -26.083 740 H GLU 93 H GLU 93 16.786 -4.917 -25.104 741 HA GLU 93 HA GLU 93 17.467 -5.559 -22.543 742 HB2 GLU 93 HB2 GLU 93 19.678 -4.813 -23.037 743 HB3 GLU 93 HB3 GLU 93 18.964 -5.501 -24.492 744 HG2 GLU 93 HG2 GLU 93 18.485 -3.191 -25.329 745 HG3 GLU 93 HG3 GLU 93 19.247 -2.520 -23.892 746 H GLU 94 H GLU 94 16.340 -2.332 -23.325 747 HA GLU 94 HA GLU 94 17.473 -1.081 -20.933 748 HB2 GLU 94 HB2 GLU 94 15.347 -0.150 -22.897 749 HB3 GLU 94 HB3 GLU 94 15.893 0.789 -21.506 750 HG2 GLU 94 HG2 GLU 94 18.263 0.581 -22.383 751 HG3 GLU 94 HG3 GLU 94 17.590 -0.088 -23.867 752 H LEU 95 H LEU 95 15.042 -3.413 -21.155 753 HA LEU 95 HA LEU 95 13.052 -2.532 -19.431 754 HB2 LEU 95 HB2 LEU 95 12.353 -4.597 -19.167 755 HB3 LEU 95 HB3 LEU 95 13.182 -4.671 -20.711 756 HG LEU 95 HG LEU 95 14.314 -5.717 -18.070 757 HD11 LEU 95 HD11 LEU 95 12.953 -7.089 -20.408 758 HD12 LEU 95 HD12 LEU 95 13.704 -7.915 -19.007 759 HD13 LEU 95 HD13 LEU 95 12.287 -6.851 -18.784 760 HD21 LEU 95 HD21 LEU 95 15.917 -6.934 -19.475 761 HD22 LEU 95 HD22 LEU 95 15.239 -6.198 -20.941 762 HD23 LEU 95 HD23 LEU 95 16.100 -5.198 -19.752 763 H ARG 96 H ARG 96 16.307 -3.590 -18.442 764 HA ARG 96 HA ARG 96 15.896 -3.738 -15.627 765 HB2 ARG 96 HB2 ARG 96 17.903 -4.536 -16.872 766 HB3 ARG 96 HB3 ARG 96 18.344 -2.879 -17.233 767 HG2 ARG 96 HG2 ARG 96 19.747 -3.662 -15.488 768 HG3 ARG 96 HG3 ARG 96 18.683 -2.460 -14.773 769 HD2 ARG 96 HD2 ARG 96 18.137 -5.454 -14.648 770 HD3 ARG 96 HD3 ARG 96 19.167 -4.632 -13.475 771 HE ARG 96 HE ARG 96 16.919 -3.111 -13.330 772 HH11 ARG 96 HH11 ARG 96 17.292 -6.595 -13.119 773 HH12 ARG 96 HH12 ARG 96 15.969 -6.756 -11.986 774 HH21 ARG 96 HH21 ARG 96 15.343 -3.376 -11.799 775 HH22 ARG 96 HH22 ARG 96 14.908 -4.980 -11.258 776 H LYS 97 H LYS 97 16.816 -1.018 -17.645 777 HA LYS 97 HA LYS 97 16.951 1.060 -15.633 778 HB2 LYS 97 HB2 LYS 97 18.220 1.189 -17.652 779 HB3 LYS 97 HB3 LYS 97 16.812 0.930 -18.663 780 HG2 LYS 97 HG2 LYS 97 15.946 3.178 -18.062 781 HG3 LYS 97 HG3 LYS 97 17.417 3.464 -17.098 782 HD2 LYS 97 HD2 LYS 97 18.823 3.152 -19.083 783 HD3 LYS 97 HD3 LYS 97 17.426 2.646 -20.042 784 HE2 LYS 97 HE2 LYS 97 16.428 4.909 -19.734 785 HE3 LYS 97 HE3 LYS 97 17.907 5.424 -18.912 786 HZ1 LYS 97 HZ1 LYS 97 19.136 4.899 -20.944 787 HZ2 LYS 97 HZ2 LYS 97 17.798 4.348 -21.678 788 HZ3 LYS 97 HZ3 LYS 97 17.930 5.937 -21.321 789 H ALA 98 H ALA 98 14.371 0.029 -17.909 790 HA ALA 98 HA ALA 98 12.412 1.958 -17.141 791 HB1 ALA 98 HB1 ALA 98 12.022 -0.917 -18.027 792 HB2 ALA 98 HB2 ALA 98 10.813 0.366 -18.054 793 HB3 ALA 98 HB3 ALA 98 12.240 0.478 -19.125 794 H VAL 99 H VAL 99 12.987 -1.359 -15.832 795 HA VAL 99 HA VAL 99 10.925 -1.253 -13.892 796 HB VAL 99 HB VAL 99 13.562 -2.798 -13.912 797 HG11 VAL 99 HG11 VAL 99 11.162 -3.249 -12.101 798 HG12 VAL 99 HG12 VAL 99 12.571 -4.321 -12.235 799 HG13 VAL 99 HG13 VAL 99 12.769 -2.698 -11.573 800 HG21 VAL 99 HG21 VAL 99 10.758 -3.919 -14.341 801 HG22 VAL 99 HG22 VAL 99 11.794 -3.403 -15.691 802 HG23 VAL 99 HG23 VAL 99 12.315 -4.715 -14.626 803 H ALA 100 H ALA 100 14.402 -0.467 -13.689 804 HA ALA 100 HA ALA 100 14.481 0.365 -11.000 805 HB1 ALA 100 HB1 ALA 100 16.548 1.543 -11.631 806 HB2 ALA 100 HB2 ALA 100 16.467 -0.052 -12.384 807 HB3 ALA 100 HB3 ALA 100 16.120 1.402 -13.350 808 H LYS 101 H LYS 101 13.516 2.267 -13.862 809 HA LYS 101 HA LYS 101 13.370 4.828 -12.755 810 HB2 LYS 101 HB2 LYS 101 12.607 3.577 -15.210 811 HB3 LYS 101 HB3 LYS 101 11.183 4.418 -14.623 812 HG2 LYS 101 HG2 LYS 101 12.329 5.967 -15.970 813 HG3 LYS 101 HG3 LYS 101 12.647 6.482 -14.307 814 HD2 LYS 101 HD2 LYS 101 14.861 5.177 -14.458 815 HD3 LYS 101 HD3 LYS 101 14.516 4.933 -16.168 816 HE2 LYS 101 HE2 LYS 101 14.821 7.621 -14.757 817 HE3 LYS 101 HE3 LYS 101 16.059 6.846 -15.729 818 HZ1 LYS 101 HZ1 LYS 101 14.554 7.032 -17.661 819 HZ2 LYS 101 HZ2 LYS 101 13.439 7.802 -16.753 820 HZ3 LYS 101 HZ3 LYS 101 14.877 8.497 -17.023 821 H ALA 102 H ALA 102 11.132 2.239 -12.094 822 HA ALA 102 HA ALA 102 9.801 4.092 -10.147 823 HB1 ALA 102 HB1 ALA 102 8.519 2.204 -12.068 824 HB2 ALA 102 HB2 ALA 102 7.636 3.055 -10.763 825 HB3 ALA 102 HB3 ALA 102 8.382 3.993 -12.091 826 H ARG 103 H ARG 103 9.918 0.526 -10.994 827 HA ARG 103 HA ARG 103 9.071 -0.321 -8.363 828 HB2 ARG 103 HB2 ARG 103 8.937 -1.702 -10.377 829 HB3 ARG 103 HB3 ARG 103 10.705 -1.847 -10.396 830 HG2 ARG 103 HG2 ARG 103 10.736 -3.136 -8.387 831 HG3 ARG 103 HG3 ARG 103 9.090 -2.628 -7.944 832 HD2 ARG 103 HD2 ARG 103 8.167 -3.830 -9.824 833 HD3 ARG 103 HD3 ARG 103 9.788 -4.389 -10.315 834 HE ARG 103 HE ARG 103 9.199 -5.075 -7.553 835 HH11 ARG 103 HH11 ARG 103 8.551 -6.325 -10.816 836 HH12 ARG 103 HH12 ARG 103 8.301 -7.936 -10.135 837 HH21 ARG 103 HH21 ARG 103 8.765 -7.197 -6.921 838 HH22 ARG 103 HH22 ARG 103 8.404 -8.361 -8.194 839 H GLY 104 H GLY 104 12.133 0.721 -9.593 840 HA2 GLY 104 HA2 GLY 104 13.589 0.037 -7.042 841 HA3 GLY 104 HA3 GLY 104 14.329 0.823 -8.443 842 H SER 105 H SER 105 12.794 2.890 -9.027 843 HA SER 105 HA SER 105 13.835 4.879 -7.366 844 HB2 SER 105 HB2 SER 105 13.234 5.297 -9.650 845 HB3 SER 105 HB3 SER 105 11.539 4.883 -9.329 846 HG SER 105 HG SER 105 12.979 7.152 -8.487 847 H TRP 106 H TRP 106 10.490 3.509 -7.257 848 HA TRP 106 HA TRP 106 9.349 5.337 -5.506 849 HB2 TRP 106 HB2 TRP 106 8.284 3.473 -6.811 850 HB3 TRP 106 HB3 TRP 106 8.781 2.359 -5.555 851 HD1 TRP 106 HD1 TRP 106 6.026 4.675 -6.475 852 HE1 TRP 106 HE1 TRP 106 4.326 4.933 -4.581 853 HE3 TRP 106 HE3 TRP 106 8.540 2.236 -2.732 854 HZ2 TRP 106 HZ2 TRP 106 4.255 4.561 -1.723 855 HZ3 TRP 106 HZ3 TRP 106 7.647 2.231 -0.439 856 HH2 TRP 106 HH2 TRP 106 5.525 3.423 0.101 857 H SER 107 H SER 107 11.138 2.367 -4.551 858 HA SER 107 HA SER 107 10.826 2.849 -1.688 859 HB2 SER 107 HB2 SER 107 12.334 0.906 -1.492 860 HB3 SER 107 HB3 SER 107 10.911 0.600 -2.524 861 HG SER 107 HG SER 107 12.854 -0.191 -3.460 862 H LEU 108 H LEU 108 12.815 4.144 -4.046 863 HA LEU 108 HA LEU 108 14.875 5.031 -2.167 864 HB2 LEU 108 HB2 LEU 108 14.669 4.469 -5.118 865 HB3 LEU 108 HB3 LEU 108 15.477 5.966 -4.740 866 HG LEU 108 HG LEU 108 17.096 4.255 -4.965 867 HD11 LEU 108 HD11 LEU 108 18.328 4.424 -2.962 868 HD12 LEU 108 HD12 LEU 108 17.318 5.897 -3.019 869 HD13 LEU 108 HD13 LEU 108 16.856 4.543 -1.965 870 HD21 LEU 108 HD21 LEU 108 15.659 2.629 -2.818 871 HD22 LEU 108 HD22 LEU 108 15.712 2.262 -4.555 872 HD23 LEU 108 HD23 LEU 108 17.200 2.216 -3.590 873 H GLU 109 H GLU 109 11.996 6.169 -3.687 874 HA GLU 109 HA GLU 109 12.550 9.041 -3.197 875 HB2 GLU 109 HB2 GLU 109 10.011 7.669 -4.148 876 HB3 GLU 109 HB3 GLU 109 10.336 9.397 -4.157 877 HG2 GLU 109 HG2 GLU 109 12.432 8.356 -5.705 878 HG3 GLU 109 HG3 GLU 109 11.073 7.308 -6.090 879 H HIS 110 H HIS 110 10.337 6.501 -2.008 880 HA HIS 110 HA HIS 110 9.185 8.336 0.033 881 HB2 HIS 110 HB2 HIS 110 8.156 5.747 -1.184 882 HB3 HIS 110 HB3 HIS 110 7.283 6.746 -0.025 883 HD2 HIS 110 HD2 HIS 110 7.778 6.329 -3.692 884 HE1 HIS 110 HE1 HIS 110 6.023 10.189 -3.298 885 HE2 HIS 110 HE2 HIS 110 6.642 8.356 -4.939 886 H HIS 111 H HIS 111 11.634 6.338 0.070 887 HA HIS 111 HA HIS 111 11.246 5.443 2.884 888 HB2 HIS 111 HB2 HIS 111 11.448 3.729 0.494 889 HB3 HIS 111 HB3 HIS 111 12.714 3.375 1.645 890 HD2 HIS 111 HD2 HIS 111 11.861 2.662 4.211 891 HE1 HIS 111 HE1 HIS 111 7.986 1.427 2.954 892 HE2 HIS 111 HE2 HIS 111 9.677 1.343 4.845 893 H HIS 112 H HIS 112 13.215 4.877 3.973 894 HA HIS 112 HA HIS 112 15.747 5.997 2.866 895 HB2 HIS 112 HB2 HIS 112 14.410 7.697 4.214 896 HB3 HIS 112 HB3 HIS 112 14.661 6.671 5.622 897 HD2 HIS 112 HD2 HIS 112 17.089 8.051 2.855 898 HE1 HIS 112 HE1 HIS 112 18.770 9.039 6.640 899 HE2 HIS 112 HE2 HIS 112 19.105 9.166 4.125 900 H HIS 113 H HIS 113 14.746 3.243 3.355 901 HA HIS 113 HA HIS 113 16.192 2.056 5.569 902 HB2 HIS 113 HB2 HIS 113 14.197 1.058 4.446 903 HB3 HIS 113 HB3 HIS 113 15.152 0.829 2.981 904 HD2 HIS 113 HD2 HIS 113 15.477 -1.744 2.832 905 HE1 HIS 113 HE1 HIS 113 16.832 -2.540 6.792 906 HE2 HIS 113 HE2 HIS 113 16.419 -3.551 4.497 907 H HIS 114 H HIS 114 17.923 0.396 5.185 908 HA HIS 114 HA HIS 114 20.305 1.537 4.139 909 HB2 HIS 114 HB2 HIS 114 20.188 -0.186 5.917 910 HB3 HIS 114 HB3 HIS 114 19.667 -1.376 4.720 911 HD2 HIS 114 HD2 HIS 114 21.696 -2.944 4.328 912 HE1 HIS 114 HE1 HIS 114 24.821 -0.064 4.037 913 HE2 HIS 114 HE2 HIS 114 24.262 -2.537 3.893 914 H HIS 115 H HIS 115 21.287 1.511 2.240 915 HA HIS 115 HA HIS 115 19.843 1.083 -0.150 916 HB2 HIS 115 HB2 HIS 115 22.824 1.549 0.258 917 HB3 HIS 115 HB3 HIS 115 21.935 1.783 -1.244 918 HD2 HIS 115 HD2 HIS 115 20.207 3.884 -1.359 919 HE1 HIS 115 HE1 HIS 115 21.621 5.881 2.127 920 HE2 HIS 115 HE2 HIS 115 20.172 6.109 0.053 Start of MODEL 5 1 H1 MET 1 H1 MET 1 0.311 2.196 -0.630 2 H2 MET 1 H2 MET 1 1.772 2.308 0.096 3 H3 MET 1 H3 MET 1 0.814 1.007 0.376 4 HA MET 1 HA MET 1 2.008 1.710 -2.225 5 HB2 MET 1 HB2 MET 1 3.653 0.909 -0.453 6 HB3 MET 1 HB3 MET 1 2.783 -0.616 -0.432 7 HG2 MET 1 HG2 MET 1 3.266 -0.761 -2.976 8 HG3 MET 1 HG3 MET 1 4.355 0.599 -2.739 9 HE1 MET 1 HE1 MET 1 6.909 -2.287 -3.211 10 HE2 MET 1 HE2 MET 1 5.426 -1.902 -4.101 11 HE3 MET 1 HE3 MET 1 6.531 -0.595 -3.596 12 H ARG 2 H ARG 2 1.190 0.670 -3.945 13 HA ARG 2 HA ARG 2 -0.054 -1.964 -3.770 14 HB2 ARG 2 HB2 ARG 2 -2.023 -0.306 -3.572 15 HB3 ARG 2 HB3 ARG 2 -1.531 0.321 -5.140 16 HG2 ARG 2 HG2 ARG 2 -1.889 -1.862 -6.206 17 HG3 ARG 2 HG3 ARG 2 -2.123 -2.645 -4.643 18 HD2 ARG 2 HD2 ARG 2 -3.938 -0.556 -5.883 19 HD3 ARG 2 HD3 ARG 2 -4.188 -2.293 -6.020 20 HE ARG 2 HE ARG 2 -4.858 -0.606 -3.803 21 HH11 ARG 2 HH11 ARG 2 -4.111 -3.981 -4.531 22 HH12 ARG 2 HH12 ARG 2 -4.849 -4.533 -3.049 23 HH21 ARG 2 HH21 ARG 2 -5.730 -1.409 -1.939 24 HH22 ARG 2 HH22 ARG 2 -5.742 -3.132 -1.641 25 H VAL 3 H VAL 3 0.210 -3.105 -5.658 26 HA VAL 3 HA VAL 3 1.875 -1.804 -7.770 27 HB VAL 3 HB VAL 3 2.082 -4.600 -6.585 28 HG11 VAL 3 HG11 VAL 3 2.600 -4.731 -9.009 29 HG12 VAL 3 HG12 VAL 3 3.658 -3.311 -8.864 30 HG13 VAL 3 HG13 VAL 3 4.090 -4.841 -8.070 31 HG21 VAL 3 HG21 VAL 3 3.995 -2.223 -6.575 32 HG22 VAL 3 HG22 VAL 3 3.125 -2.872 -5.175 33 HG23 VAL 3 HG23 VAL 3 4.366 -3.849 -5.965 34 H ILE 4 H ILE 4 1.386 -2.160 -9.854 35 HA ILE 4 HA ILE 4 -0.579 -4.261 -10.607 36 HB ILE 4 HB ILE 4 -0.753 -1.324 -11.178 37 HG12 ILE 4 HG12 ILE 4 -2.450 -3.545 -9.959 38 HG13 ILE 4 HG13 ILE 4 -2.029 -1.994 -9.273 39 HG21 ILE 4 HG21 ILE 4 -2.155 -3.478 -12.781 40 HG22 ILE 4 HG22 ILE 4 -2.428 -1.722 -12.898 41 HG23 ILE 4 HG23 ILE 4 -0.869 -2.369 -13.368 42 HD11 ILE 4 HD11 ILE 4 -4.128 -2.602 -11.394 43 HD12 ILE 4 HD12 ILE 4 -4.366 -1.959 -9.752 44 HD13 ILE 4 HD13 ILE 4 -3.558 -0.962 -11.001 45 H VAL 5 H VAL 5 -0.278 -5.119 -12.535 46 HA VAL 5 HA VAL 5 1.965 -4.103 -14.210 47 HB VAL 5 HB VAL 5 1.561 -7.052 -13.715 48 HG11 VAL 5 HG11 VAL 5 2.448 -6.480 -16.001 49 HG12 VAL 5 HG12 VAL 5 3.738 -5.539 -15.242 50 HG13 VAL 5 HG13 VAL 5 3.654 -7.298 -15.007 51 HG21 VAL 5 HG21 VAL 5 3.789 -6.981 -12.615 52 HG22 VAL 5 HG22 VAL 5 3.765 -5.208 -12.705 53 HG23 VAL 5 HG23 VAL 5 2.576 -6.062 -11.714 54 H VAL 6 H VAL 6 1.097 -3.415 -16.013 55 HA VAL 6 HA VAL 6 -1.302 -4.850 -17.138 56 HB VAL 6 HB VAL 6 -0.340 -2.070 -17.841 57 HG11 VAL 6 HG11 VAL 6 -1.532 -3.064 -19.679 58 HG12 VAL 6 HG12 VAL 6 -2.813 -3.667 -18.592 59 HG13 VAL 6 HG13 VAL 6 -2.604 -1.924 -18.865 60 HG21 VAL 6 HG21 VAL 6 -2.494 -1.385 -16.619 61 HG22 VAL 6 HG22 VAL 6 -2.574 -3.049 -15.997 62 HG23 VAL 6 HG23 VAL 6 -1.209 -1.977 -15.585 63 H ILE 7 H ILE 7 -1.169 -5.711 -19.196 64 HA ILE 7 HA ILE 7 1.446 -5.483 -20.659 65 HB ILE 7 HB ILE 7 -0.080 -8.076 -20.290 66 HG12 ILE 7 HG12 ILE 7 2.159 -8.711 -19.070 67 HG13 ILE 7 HG13 ILE 7 2.290 -6.982 -18.756 68 HG21 ILE 7 HG21 ILE 7 2.510 -7.365 -21.699 69 HG22 ILE 7 HG22 ILE 7 2.083 -9.017 -21.230 70 HG23 ILE 7 HG23 ILE 7 1.049 -8.156 -22.346 71 HD11 ILE 7 HD11 ILE 7 -0.135 -8.673 -17.991 72 HD12 ILE 7 HD12 ILE 7 1.250 -8.417 -16.927 73 HD13 ILE 7 HD13 ILE 7 0.264 -7.035 -17.427 74 H VAL 8 H VAL 8 1.386 -5.378 -22.883 75 HA VAL 8 HA VAL 8 -1.176 -5.072 -24.246 76 HB VAL 8 HB VAL 8 1.638 -5.356 -25.350 77 HG11 VAL 8 HG11 VAL 8 -0.956 -4.608 -26.778 78 HG12 VAL 8 HG12 VAL 8 0.674 -4.452 -27.464 79 HG13 VAL 8 HG13 VAL 8 0.040 -6.052 -27.080 80 HG21 VAL 8 HG21 VAL 8 -0.162 -2.911 -25.022 81 HG22 VAL 8 HG22 VAL 8 1.272 -3.265 -24.056 82 HG23 VAL 8 HG23 VAL 8 1.448 -2.931 -25.782 83 H GLY 9 H GLY 9 -2.507 -6.763 -24.431 84 HA2 GLY 9 HA2 GLY 9 -1.811 -9.300 -25.613 85 HA3 GLY 9 HA3 GLY 9 -1.961 -9.410 -23.854 86 HA PRO 10 HA PRO 10 -3.029 -11.602 -24.268 87 HB2 PRO 10 HB2 PRO 10 -4.648 -13.488 -25.353 88 HB3 PRO 10 HB3 PRO 10 -5.054 -12.629 -23.839 89 HG2 PRO 10 HG2 PRO 10 -6.004 -11.957 -26.652 90 HG3 PRO 10 HG3 PRO 10 -6.998 -12.203 -25.181 91 HD2 PRO 10 HD2 PRO 10 -6.226 -9.711 -25.980 92 HD3 PRO 10 HD3 PRO 10 -6.299 -10.143 -24.256 93 H SER 11 H SER 11 -3.536 -10.080 -27.268 94 HA SER 11 HA SER 11 -1.165 -11.456 -28.343 95 HB2 SER 11 HB2 SER 11 -2.183 -11.582 -30.623 96 HB3 SER 11 HB3 SER 11 -2.893 -12.704 -29.464 97 HG SER 11 HG SER 11 -4.005 -10.198 -30.211 98 H GLY 12 H GLY 12 0.243 -10.021 -29.182 99 HA2 GLY 12 HA2 GLY 12 -0.058 -7.832 -30.729 100 HA3 GLY 12 HA3 GLY 12 -0.445 -7.146 -29.154 101 H ALA 13 H ALA 13 1.535 -8.686 -27.632 102 HA ALA 13 HA ALA 13 4.113 -7.598 -28.690 103 HB1 ALA 13 HB1 ALA 13 4.631 -6.951 -26.391 104 HB2 ALA 13 HB2 ALA 13 3.100 -6.226 -26.902 105 HB3 ALA 13 HB3 ALA 13 3.093 -7.632 -25.816 106 H GLY 14 H GLY 14 2.708 -10.488 -28.333 107 HA2 GLY 14 HA2 GLY 14 4.709 -12.272 -28.540 108 HA3 GLY 14 HA3 GLY 14 4.738 -11.965 -26.804 109 H LYS 15 H LYS 15 4.243 -14.280 -26.781 110 HA LYS 15 HA LYS 15 1.291 -14.756 -26.657 111 HB2 LYS 15 HB2 LYS 15 1.653 -17.062 -27.526 112 HB3 LYS 15 HB3 LYS 15 1.830 -15.766 -28.703 113 HG2 LYS 15 HG2 LYS 15 4.298 -15.956 -28.588 114 HG3 LYS 15 HG3 LYS 15 4.160 -17.210 -27.355 115 HD2 LYS 15 HD2 LYS 15 4.650 -18.206 -29.458 116 HD3 LYS 15 HD3 LYS 15 3.031 -18.698 -28.940 117 HE2 LYS 15 HE2 LYS 15 2.035 -17.032 -30.496 118 HE3 LYS 15 HE3 LYS 15 3.644 -16.502 -30.974 119 HZ1 LYS 15 HZ1 LYS 15 2.564 -19.228 -31.409 120 HZ2 LYS 15 HZ2 LYS 15 2.731 -18.088 -32.566 121 HZ3 LYS 15 HZ3 LYS 15 4.051 -18.737 -31.859 122 H THR 16 H THR 16 4.391 -16.310 -25.690 123 HA THR 16 HA THR 16 3.174 -17.376 -23.253 124 HB THR 16 HB THR 16 6.111 -17.263 -24.012 125 HG1 THR 16 HG1 THR 16 5.722 -19.272 -24.945 126 HG21 THR 16 HG21 THR 16 4.488 -19.135 -22.214 127 HG22 THR 16 HG22 THR 16 6.190 -19.393 -22.681 128 HG23 THR 16 HG23 THR 16 5.753 -18.002 -21.689 129 H THR 17 H THR 17 5.153 -14.566 -24.077 130 HA THR 17 HA THR 17 6.281 -13.897 -21.639 131 HB THR 17 HB THR 17 6.811 -12.827 -23.752 132 HG1 THR 17 HG1 THR 17 7.183 -10.836 -22.816 133 HG21 THR 17 HG21 THR 17 5.572 -11.074 -24.731 134 HG22 THR 17 HG22 THR 17 4.358 -12.343 -24.423 135 HG23 THR 17 HG23 THR 17 4.472 -10.939 -23.346 136 H LEU 18 H LEU 18 3.072 -12.590 -22.707 137 HA LEU 18 HA LEU 18 2.486 -11.211 -20.301 138 HB2 LEU 18 HB2 LEU 18 0.246 -11.067 -21.160 139 HB3 LEU 18 HB3 LEU 18 1.403 -10.880 -22.458 140 HG LEU 18 HG LEU 18 0.943 -13.531 -22.776 141 HD11 LEU 18 HD11 LEU 18 -0.742 -13.684 -20.908 142 HD12 LEU 18 HD12 LEU 18 -1.714 -12.449 -21.718 143 HD13 LEU 18 HD13 LEU 18 -1.446 -14.030 -22.488 144 HD21 LEU 18 HD21 LEU 18 0.676 -11.800 -24.492 145 HD22 LEU 18 HD22 LEU 18 -0.718 -12.899 -24.474 146 HD23 LEU 18 HD23 LEU 18 -0.841 -11.277 -23.732 147 H ASP 19 H ASP 19 2.382 -14.554 -20.966 148 HA ASP 19 HA ASP 19 0.355 -15.316 -18.977 149 HB2 ASP 19 HB2 ASP 19 1.212 -16.427 -21.251 150 HB3 ASP 19 HB3 ASP 19 2.333 -17.255 -20.192 151 H GLU 20 H GLU 20 3.807 -16.103 -19.451 152 HA GLU 20 HA GLU 20 4.284 -16.942 -16.811 153 HB2 GLU 20 HB2 GLU 20 6.592 -16.922 -17.289 154 HB3 GLU 20 HB3 GLU 20 5.757 -17.434 -18.757 155 HG2 GLU 20 HG2 GLU 20 6.080 -15.221 -19.761 156 HG3 GLU 20 HG3 GLU 20 6.831 -14.627 -18.279 157 H LEU 21 H LEU 21 4.179 -13.747 -18.229 158 HA LEU 21 HA LEU 21 5.385 -12.289 -16.012 159 HB2 LEU 21 HB2 LEU 21 3.693 -11.633 -18.405 160 HB3 LEU 21 HB3 LEU 21 3.671 -10.480 -17.120 161 HG LEU 21 HG LEU 21 5.346 -10.252 -19.111 162 HD11 LEU 21 HD11 LEU 21 6.208 -9.808 -16.210 163 HD12 LEU 21 HD12 LEU 21 6.822 -8.925 -17.631 164 HD13 LEU 21 HD13 LEU 21 5.129 -8.750 -17.135 165 HD21 LEU 21 HD21 LEU 21 7.630 -10.939 -18.691 166 HD22 LEU 21 HD22 LEU 21 7.168 -11.816 -17.223 167 HD23 LEU 21 HD23 LEU 21 6.618 -12.381 -18.817 168 H ALA 22 H ALA 22 1.872 -12.758 -16.871 169 HA ALA 22 HA ALA 22 0.924 -11.697 -14.456 170 HB1 ALA 22 HB1 ALA 22 -0.319 -13.838 -16.239 171 HB2 ALA 22 HB2 ALA 22 -1.165 -12.859 -15.017 172 HB3 ALA 22 HB3 ALA 22 -0.471 -12.076 -16.445 173 H ARG 23 H ARG 23 1.844 -15.045 -15.176 174 HA ARG 23 HA ARG 23 1.136 -16.218 -12.663 175 HB2 ARG 23 HB2 ARG 23 3.161 -16.990 -14.803 176 HB3 ARG 23 HB3 ARG 23 2.787 -18.011 -13.409 177 HG2 ARG 23 HG2 ARG 23 0.596 -18.452 -14.116 178 HG3 ARG 23 HG3 ARG 23 0.517 -17.030 -15.147 179 HD2 ARG 23 HD2 ARG 23 0.589 -18.915 -16.563 180 HD3 ARG 23 HD3 ARG 23 2.130 -18.075 -16.739 181 HE ARG 23 HE ARG 23 2.540 -20.058 -14.788 182 HH11 ARG 23 HH11 ARG 23 1.619 -20.016 -18.185 183 HH12 ARG 23 HH12 ARG 23 2.332 -21.579 -18.491 184 HH21 ARG 23 HH21 ARG 23 3.370 -22.083 -15.244 185 HH22 ARG 23 HH22 ARG 23 3.276 -22.717 -16.865 186 H LYS 24 H LYS 24 4.440 -15.230 -13.740 187 HA LYS 24 HA LYS 24 5.663 -15.695 -11.201 188 HB2 LYS 24 HB2 LYS 24 6.500 -13.879 -13.495 189 HB3 LYS 24 HB3 LYS 24 7.507 -14.213 -12.083 190 HG2 LYS 24 HG2 LYS 24 7.527 -16.609 -12.583 191 HG3 LYS 24 HG3 LYS 24 6.497 -16.369 -13.985 192 HD2 LYS 24 HD2 LYS 24 9.364 -15.437 -13.620 193 HD3 LYS 24 HD3 LYS 24 8.737 -16.637 -14.755 194 HE2 LYS 24 HE2 LYS 24 7.399 -14.774 -15.853 195 HE3 LYS 24 HE3 LYS 24 8.233 -13.637 -14.794 196 HZ1 LYS 24 HZ1 LYS 24 10.355 -14.613 -15.786 197 HZ2 LYS 24 HZ2 LYS 24 9.410 -15.293 -16.934 198 HZ3 LYS 24 HZ3 LYS 24 9.463 -13.687 -16.795 199 H ALA 25 H ALA 25 4.424 -12.600 -12.582 200 HA ALA 25 HA ALA 25 5.025 -10.954 -10.302 201 HB1 ALA 25 HB1 ALA 25 2.777 -10.660 -12.329 202 HB2 ALA 25 HB2 ALA 25 3.442 -9.407 -11.253 203 HB3 ALA 25 HB3 ALA 25 4.440 -10.078 -12.548 204 H LYS 26 H LYS 26 1.711 -12.442 -11.050 205 HA LYS 26 HA LYS 26 0.837 -11.672 -8.498 206 HB2 LYS 26 HB2 LYS 26 -0.553 -12.466 -10.531 207 HB3 LYS 26 HB3 LYS 26 -0.223 -14.110 -9.963 208 HG2 LYS 26 HG2 LYS 26 -2.281 -13.643 -8.944 209 HG3 LYS 26 HG3 LYS 26 -1.148 -13.196 -7.659 210 HD2 LYS 26 HD2 LYS 26 -1.353 -10.784 -8.853 211 HD3 LYS 26 HD3 LYS 26 -2.900 -11.480 -9.387 212 HE2 LYS 26 HE2 LYS 26 -2.821 -12.227 -6.743 213 HE3 LYS 26 HE3 LYS 26 -1.832 -10.760 -6.702 214 HZ1 LYS 26 HZ1 LYS 26 -3.671 -9.509 -7.536 215 HZ2 LYS 26 HZ2 LYS 26 -4.608 -10.839 -7.762 216 HZ3 LYS 26 HZ3 LYS 26 -4.211 -10.341 -6.254 217 H GLU 27 H GLU 27 2.713 -14.612 -9.304 218 HA GLU 27 HA GLU 27 2.431 -15.868 -6.731 219 HB2 GLU 27 HB2 GLU 27 4.501 -16.029 -8.927 220 HB3 GLU 27 HB3 GLU 27 4.800 -16.749 -7.343 221 HG2 GLU 27 HG2 GLU 27 2.688 -18.040 -7.510 222 HG3 GLU 27 HG3 GLU 27 2.397 -17.379 -9.109 223 H GLU 28 H GLU 28 4.967 -13.543 -7.845 224 HA GLU 28 HA GLU 28 6.084 -13.422 -5.129 225 HB2 GLU 28 HB2 GLU 28 7.813 -12.100 -6.021 226 HB3 GLU 28 HB3 GLU 28 7.506 -13.408 -7.156 227 HG2 GLU 28 HG2 GLU 28 6.159 -11.787 -8.562 228 HG3 GLU 28 HG3 GLU 28 6.578 -10.525 -7.433 229 H VAL 29 H VAL 29 3.771 -11.584 -6.842 230 HA VAL 29 HA VAL 29 3.351 -9.715 -4.578 231 HB VAL 29 HB VAL 29 2.828 -7.877 -6.024 232 HG11 VAL 29 HG11 VAL 29 5.029 -7.140 -6.541 233 HG12 VAL 29 HG12 VAL 29 5.151 -8.151 -5.081 234 HG13 VAL 29 HG13 VAL 29 5.627 -8.793 -6.679 235 HG21 VAL 29 HG21 VAL 29 2.456 -9.251 -8.178 236 HG22 VAL 29 HG22 VAL 29 3.367 -7.727 -8.337 237 HG23 VAL 29 HG23 VAL 29 4.222 -9.288 -8.315 238 HA PRO 30 HA PRO 30 -0.499 -12.063 -5.564 239 HB2 PRO 30 HB2 PRO 30 -1.001 -12.845 -2.982 240 HB3 PRO 30 HB3 PRO 30 0.115 -13.744 -4.072 241 HG2 PRO 30 HG2 PRO 30 0.779 -11.668 -1.970 242 HG3 PRO 30 HG3 PRO 30 1.535 -13.281 -2.197 243 HD2 PRO 30 HD2 PRO 30 2.633 -10.992 -3.214 244 HD3 PRO 30 HD3 PRO 30 2.707 -12.545 -4.128 245 H ASP 31 H ASP 31 0.392 -9.304 -3.949 246 HA ASP 31 HA ASP 31 -2.372 -8.436 -3.234 247 HB2 ASP 31 HB2 ASP 31 0.289 -8.008 -2.074 248 HB3 ASP 31 HB3 ASP 31 -0.457 -6.483 -2.447 249 H ALA 32 H ALA 32 -0.253 -8.323 -5.810 250 HA ALA 32 HA ALA 32 -0.881 -5.611 -6.724 251 HB1 ALA 32 HB1 ALA 32 0.607 -7.900 -8.070 252 HB2 ALA 32 HB2 ALA 32 0.581 -6.223 -8.632 253 HB3 ALA 32 HB3 ALA 32 1.364 -6.614 -7.092 254 H GLU 33 H GLU 33 -1.675 -5.386 -9.076 255 HA GLU 33 HA GLU 33 -3.637 -7.558 -9.767 256 HB2 GLU 33 HB2 GLU 33 -4.093 -4.802 -10.830 257 HB3 GLU 33 HB3 GLU 33 -5.225 -6.081 -10.534 258 HG2 GLU 33 HG2 GLU 33 -3.867 -4.399 -8.393 259 HG3 GLU 33 HG3 GLU 33 -5.423 -4.057 -9.099 260 H ILE 34 H ILE 34 -2.880 -8.746 -11.398 261 HA ILE 34 HA ILE 34 -1.373 -7.382 -13.525 262 HB ILE 34 HB ILE 34 -1.543 -10.359 -13.254 263 HG12 ILE 34 HG12 ILE 34 -1.065 -9.800 -10.974 264 HG13 ILE 34 HG13 ILE 34 0.314 -10.490 -11.754 265 HG21 ILE 34 HG21 ILE 34 0.132 -8.327 -14.644 266 HG22 ILE 34 HG22 ILE 34 1.023 -9.679 -13.954 267 HG23 ILE 34 HG23 ILE 34 -0.316 -9.943 -15.110 268 HD11 ILE 34 HD11 ILE 34 1.450 -8.332 -11.860 269 HD12 ILE 34 HD12 ILE 34 0.013 -7.488 -11.249 270 HD13 ILE 34 HD13 ILE 34 0.849 -8.645 -10.204 271 H ARG 35 H ARG 35 -2.262 -7.013 -15.428 272 HA ARG 35 HA ARG 35 -4.312 -8.806 -16.580 273 HB2 ARG 35 HB2 ARG 35 -5.907 -6.978 -17.061 274 HB3 ARG 35 HB3 ARG 35 -5.810 -7.347 -15.372 275 HG2 ARG 35 HG2 ARG 35 -4.274 -5.016 -16.601 276 HG3 ARG 35 HG3 ARG 35 -5.935 -4.951 -15.999 277 HD2 ARG 35 HD2 ARG 35 -4.793 -6.118 -13.856 278 HD3 ARG 35 HD3 ARG 35 -3.401 -5.269 -14.455 279 HE ARG 35 HE ARG 35 -4.805 -3.144 -14.270 280 HH11 ARG 35 HH11 ARG 35 -6.385 -1.994 -13.190 281 HH12 ARG 35 HH12 ARG 35 -7.403 -2.897 -12.075 282 HH21 ARG 35 HH21 ARG 35 -6.384 -5.956 -12.792 283 HH22 ARG 35 HH22 ARG 35 -7.502 -4.867 -11.974 284 H THR 36 H THR 36 -5.055 -8.085 -18.788 285 HA THR 36 HA THR 36 -2.855 -6.716 -20.242 286 HB THR 36 HB THR 36 -2.950 -8.218 -22.051 287 HG1 THR 36 HG1 THR 36 -4.406 -10.079 -21.863 288 HG21 THR 36 HG21 THR 36 -3.156 -10.262 -19.841 289 HG22 THR 36 HG22 THR 36 -1.994 -10.145 -21.177 290 HG23 THR 36 HG23 THR 36 -1.860 -9.077 -19.766 291 H VAL 37 H VAL 37 -3.371 -5.816 -22.319 292 HA VAL 37 HA VAL 37 -6.188 -5.027 -22.918 293 HB VAL 37 HB VAL 37 -6.022 -2.935 -22.529 294 HG11 VAL 37 HG11 VAL 37 -3.378 -3.324 -21.192 295 HG12 VAL 37 HG12 VAL 37 -4.498 -1.933 -21.065 296 HG13 VAL 37 HG13 VAL 37 -5.021 -3.532 -20.473 297 HG21 VAL 37 HG21 VAL 37 -4.114 -1.441 -23.117 298 HG22 VAL 37 HG22 VAL 37 -3.330 -2.815 -23.879 299 HG23 VAL 37 HG23 VAL 37 -4.969 -2.282 -24.426 300 H THR 38 H THR 38 -6.559 -4.540 -24.933 301 HA THR 38 HA THR 38 -4.386 -5.002 -26.996 302 HB THR 38 HB THR 38 -5.637 -7.040 -26.695 303 HG1 THR 38 HG1 THR 38 -6.067 -5.716 -29.141 304 HG21 THR 38 HG21 THR 38 -8.094 -5.407 -27.406 305 HG22 THR 38 HG22 THR 38 -8.008 -7.194 -27.464 306 HG23 THR 38 HG23 THR 38 -7.769 -6.340 -25.932 307 H THR 39 H THR 39 -6.868 -2.974 -26.001 308 HA THR 39 HA THR 39 -6.631 -1.190 -28.372 309 HB THR 39 HB THR 39 -9.149 -0.936 -28.366 310 HG1 THR 39 HG1 THR 39 -9.154 -3.405 -27.009 311 HG21 THR 39 HG21 THR 39 -8.095 -2.320 -30.148 312 HG22 THR 39 HG22 THR 39 -8.325 -3.764 -29.139 313 HG23 THR 39 HG23 THR 39 -9.731 -2.848 -29.709 314 H LYS 40 H LYS 40 -7.797 0.837 -28.045 315 HA LYS 40 HA LYS 40 -6.988 2.229 -25.767 316 HB2 LYS 40 HB2 LYS 40 -8.448 4.042 -26.588 317 HB3 LYS 40 HB3 LYS 40 -7.474 3.307 -27.841 318 HG2 LYS 40 HG2 LYS 40 -9.405 3.599 -28.958 319 HG3 LYS 40 HG3 LYS 40 -9.612 1.929 -28.445 320 HD2 LYS 40 HD2 LYS 40 -11.139 2.666 -26.636 321 HD3 LYS 40 HD3 LYS 40 -10.837 4.358 -27.034 322 HE2 LYS 40 HE2 LYS 40 -12.065 2.312 -28.934 323 HE3 LYS 40 HE3 LYS 40 -13.002 3.374 -27.897 324 HZ1 LYS 40 HZ1 LYS 40 -12.794 4.303 -30.111 325 HZ2 LYS 40 HZ2 LYS 40 -12.014 5.279 -29.073 326 HZ3 LYS 40 HZ3 LYS 40 -11.168 4.279 -30.049 327 H GLU 41 H GLU 41 -9.922 0.398 -26.236 328 HA GLU 41 HA GLU 41 -11.298 1.549 -23.928 329 HB2 GLU 41 HB2 GLU 41 -12.996 -0.178 -24.381 330 HB3 GLU 41 HB3 GLU 41 -12.593 0.806 -25.794 331 HG2 GLU 41 HG2 GLU 41 -11.292 -0.908 -26.778 332 HG3 GLU 41 HG3 GLU 41 -11.426 -1.953 -25.354 333 H ASP 42 H ASP 42 -9.536 -1.482 -24.600 334 HA ASP 42 HA ASP 42 -9.898 -2.582 -21.953 335 HB2 ASP 42 HB2 ASP 42 -7.772 -3.069 -24.060 336 HB3 ASP 42 HB3 ASP 42 -7.915 -3.923 -22.555 337 H ALA 43 H ALA 43 -7.375 -0.509 -23.410 338 HA ALA 43 HA ALA 43 -5.779 -0.261 -21.034 339 HB1 ALA 43 HB1 ALA 43 -6.260 1.550 -23.425 340 HB2 ALA 43 HB2 ALA 43 -5.128 1.946 -22.104 341 HB3 ALA 43 HB3 ALA 43 -4.882 0.471 -23.050 342 H LYS 44 H LYS 44 -8.602 1.597 -22.170 343 HA LYS 44 HA LYS 44 -8.641 3.428 -19.969 344 HB2 LYS 44 HB2 LYS 44 -9.773 3.862 -22.066 345 HB3 LYS 44 HB3 LYS 44 -10.961 2.594 -21.743 346 HG2 LYS 44 HG2 LYS 44 -11.976 3.769 -20.016 347 HG3 LYS 44 HG3 LYS 44 -10.511 4.669 -19.600 348 HD2 LYS 44 HD2 LYS 44 -10.751 5.960 -21.747 349 HD3 LYS 44 HD3 LYS 44 -12.346 5.193 -21.959 350 HE2 LYS 44 HE2 LYS 44 -12.979 6.059 -19.689 351 HE3 LYS 44 HE3 LYS 44 -11.407 6.847 -19.572 352 HZ1 LYS 44 HZ1 LYS 44 -12.024 8.205 -21.509 353 HZ2 LYS 44 HZ2 LYS 44 -13.470 7.456 -21.626 354 HZ3 LYS 44 HZ3 LYS 44 -13.141 8.387 -20.335 355 H ARG 45 H ARG 45 -10.296 0.358 -20.412 356 HA ARG 45 HA ARG 45 -11.734 0.049 -17.990 357 HB2 ARG 45 HB2 ARG 45 -12.143 -1.287 -19.918 358 HB3 ARG 45 HB3 ARG 45 -10.458 -1.745 -20.043 359 HG2 ARG 45 HG2 ARG 45 -10.755 -3.169 -17.957 360 HG3 ARG 45 HG3 ARG 45 -12.506 -2.861 -18.121 361 HD2 ARG 45 HD2 ARG 45 -12.383 -3.719 -20.470 362 HD3 ARG 45 HD3 ARG 45 -10.642 -3.998 -20.271 363 HE ARG 45 HE ARG 45 -12.160 -5.365 -18.248 364 HH11 ARG 45 HH11 ARG 45 -11.158 -5.759 -21.639 365 HH12 ARG 45 HH12 ARG 45 -11.430 -7.474 -21.571 366 HH21 ARG 45 HH21 ARG 45 -12.422 -7.557 -18.293 367 HH22 ARG 45 HH22 ARG 45 -12.098 -8.458 -19.757 368 H VAL 46 H VAL 46 -8.505 -1.396 -18.735 369 HA VAL 46 HA VAL 46 -8.173 -2.337 -16.081 370 HB VAL 46 HB VAL 46 -5.881 -2.720 -16.562 371 HG11 VAL 46 HG11 VAL 46 -6.087 -4.274 -18.428 372 HG12 VAL 46 HG12 VAL 46 -7.592 -4.289 -17.482 373 HG13 VAL 46 HG13 VAL 46 -7.519 -3.436 -19.033 374 HG21 VAL 46 HG21 VAL 46 -4.789 -2.182 -18.656 375 HG22 VAL 46 HG22 VAL 46 -6.175 -1.149 -19.101 376 HG23 VAL 46 HG23 VAL 46 -5.154 -0.756 -17.689 377 H ALA 47 H ALA 47 -7.187 0.738 -17.514 378 HA ALA 47 HA ALA 47 -5.793 1.590 -15.142 379 HB1 ALA 47 HB1 ALA 47 -5.438 2.285 -17.584 380 HB2 ALA 47 HB2 ALA 47 -6.829 3.344 -17.389 381 HB3 ALA 47 HB3 ALA 47 -5.378 3.564 -16.351 382 H GLU 48 H GLU 48 -9.020 2.580 -16.487 383 HA GLU 48 HA GLU 48 -9.766 4.195 -14.279 384 HB2 GLU 48 HB2 GLU 48 -11.929 4.171 -15.076 385 HB3 GLU 48 HB3 GLU 48 -10.944 4.043 -16.526 386 HG2 GLU 48 HG2 GLU 48 -11.357 1.568 -16.525 387 HG3 GLU 48 HG3 GLU 48 -12.303 1.708 -15.078 388 H GLU 49 H GLU 49 -9.449 0.714 -14.498 389 HA GLU 49 HA GLU 49 -10.924 0.215 -11.999 390 HB2 GLU 49 HB2 GLU 49 -10.167 -1.537 -13.985 391 HB3 GLU 49 HB3 GLU 49 -8.783 -1.659 -12.962 392 HG2 GLU 49 HG2 GLU 49 -10.593 -1.904 -10.998 393 HG3 GLU 49 HG3 GLU 49 -11.640 -2.393 -12.330 394 H ALA 50 H ALA 50 -7.471 0.378 -12.971 395 HA ALA 50 HA ALA 50 -6.323 -0.100 -10.431 396 HB1 ALA 50 HB1 ALA 50 -5.346 1.529 -12.783 397 HB2 ALA 50 HB2 ALA 50 -4.347 1.059 -11.396 398 HB3 ALA 50 HB3 ALA 50 -5.018 -0.201 -12.466 399 H GLU 51 H GLU 51 -7.640 2.946 -11.716 400 HA GLU 51 HA GLU 51 -6.485 4.503 -9.511 401 HB2 GLU 51 HB2 GLU 51 -7.566 6.383 -10.465 402 HB3 GLU 51 HB3 GLU 51 -6.947 5.372 -11.795 403 HG2 GLU 51 HG2 GLU 51 -9.210 4.487 -12.174 404 HG3 GLU 51 HG3 GLU 51 -9.844 5.477 -10.859 405 H ARG 52 H ARG 52 -9.133 2.489 -9.766 406 HA ARG 52 HA ARG 52 -10.841 3.705 -7.661 407 HB2 ARG 52 HB2 ARG 52 -10.877 0.777 -8.454 408 HB3 ARG 52 HB3 ARG 52 -12.159 1.720 -7.721 409 HG2 ARG 52 HG2 ARG 52 -11.053 2.024 -10.518 410 HG3 ARG 52 HG3 ARG 52 -12.568 1.234 -10.124 411 HD2 ARG 52 HD2 ARG 52 -11.952 4.188 -9.693 412 HD3 ARG 52 HD3 ARG 52 -12.897 3.512 -11.026 413 HE ARG 52 HE ARG 52 -14.105 2.620 -8.638 414 HH11 ARG 52 HH11 ARG 52 -13.688 5.666 -10.323 415 HH12 ARG 52 HH12 ARG 52 -15.146 6.357 -9.636 416 HH21 ARG 52 HH21 ARG 52 -15.939 3.555 -7.794 417 HH22 ARG 52 HH22 ARG 52 -16.374 5.189 -8.220 418 H ARG 53 H ARG 53 -8.353 1.278 -7.842 419 HA ARG 53 HA ARG 53 -8.325 0.867 -4.886 420 HB2 ARG 53 HB2 ARG 53 -7.225 -1.248 -5.388 421 HB3 ARG 53 HB3 ARG 53 -8.737 -1.117 -6.279 422 HG2 ARG 53 HG2 ARG 53 -6.779 -0.063 -8.048 423 HG3 ARG 53 HG3 ARG 53 -5.952 -1.382 -7.254 424 HD2 ARG 53 HD2 ARG 53 -8.627 -1.601 -8.690 425 HD3 ARG 53 HD3 ARG 53 -7.075 -2.123 -9.334 426 HE ARG 53 HE ARG 53 -6.929 -3.716 -7.360 427 HH11 ARG 53 HH11 ARG 53 -10.118 -2.873 -8.543 428 HH12 ARG 53 HH12 ARG 53 -10.804 -4.368 -7.938 429 HH21 ARG 53 HH21 ARG 53 -7.772 -5.489 -6.710 430 HH22 ARG 53 HH22 ARG 53 -9.489 -5.843 -6.858 431 H ASN 54 H ASN 54 -6.665 2.520 -7.177 432 HA ASN 54 HA ASN 54 -4.975 4.021 -6.961 433 HB2 ASN 54 HB2 ASN 54 -5.604 3.353 -4.131 434 HB3 ASN 54 HB3 ASN 54 -4.209 4.385 -4.478 435 HD21 ASN 54 HD21 ASN 54 -8.091 5.543 -5.343 436 HD22 ASN 54 HD22 ASN 54 -7.718 3.915 -4.818 437 H ALA 55 H ALA 55 -4.094 2.141 -8.156 438 HA ALA 55 HA ALA 55 -1.958 0.564 -7.159 439 HB1 ALA 55 HB1 ALA 55 -2.501 1.582 -9.953 440 HB2 ALA 55 HB2 ALA 55 -1.411 0.251 -9.481 441 HB3 ALA 55 HB3 ALA 55 -3.177 0.140 -9.164 442 H ASP 56 H ASP 56 -0.573 1.847 -5.853 443 HA ASP 56 HA ASP 56 0.604 4.288 -6.319 444 HB2 ASP 56 HB2 ASP 56 0.773 2.350 -4.416 445 HB3 ASP 56 HB3 ASP 56 2.363 2.173 -5.122 446 H ILE 57 H ILE 57 1.626 1.157 -7.599 447 HA ILE 57 HA ILE 57 3.474 2.496 -9.504 448 HB ILE 57 HB ILE 57 4.116 -0.283 -8.559 449 HG12 ILE 57 HG12 ILE 57 4.819 2.199 -6.948 450 HG13 ILE 57 HG13 ILE 57 3.863 0.809 -6.423 451 HG21 ILE 57 HG21 ILE 57 5.226 0.857 -10.509 452 HG22 ILE 57 HG22 ILE 57 5.846 2.083 -9.384 453 HG23 ILE 57 HG23 ILE 57 6.361 0.387 -9.247 454 HD11 ILE 57 HD11 ILE 57 6.831 0.783 -6.997 455 HD12 ILE 57 HD12 ILE 57 6.004 0.628 -5.436 456 HD13 ILE 57 HD13 ILE 57 5.839 -0.659 -6.652 457 H VAL 58 H VAL 58 2.939 2.106 -11.514 458 HA VAL 58 HA VAL 58 1.436 -0.340 -12.325 459 HB VAL 58 HB VAL 58 0.630 1.432 -14.168 460 HG11 VAL 58 HG11 VAL 58 -0.856 0.050 -12.944 461 HG12 VAL 58 HG12 VAL 58 -0.582 1.003 -11.444 462 HG13 VAL 58 HG13 VAL 58 -1.433 1.714 -12.830 463 HG21 VAL 58 HG21 VAL 58 1.871 3.304 -12.891 464 HG22 VAL 58 HG22 VAL 58 0.173 3.577 -13.267 465 HG23 VAL 58 HG23 VAL 58 0.703 3.119 -11.608 466 H VAL 59 H VAL 59 3.134 -1.503 -12.908 467 HA VAL 59 HA VAL 59 5.126 -0.610 -14.879 468 HB VAL 59 HB VAL 59 4.539 -3.383 -13.759 469 HG11 VAL 59 HG11 VAL 59 5.826 -3.452 -15.884 470 HG12 VAL 59 HG12 VAL 59 6.990 -2.290 -15.198 471 HG13 VAL 59 HG13 VAL 59 6.837 -3.926 -14.525 472 HG21 VAL 59 HG21 VAL 59 6.706 -1.436 -12.885 473 HG22 VAL 59 HG22 VAL 59 5.250 -1.850 -11.944 474 HG23 VAL 59 HG23 VAL 59 6.462 -3.090 -12.288 475 H ILE 60 H ILE 60 4.234 -0.186 -16.858 476 HA ILE 60 HA ILE 60 2.221 -1.987 -18.039 477 HB ILE 60 HB ILE 60 3.690 0.243 -19.394 478 HG12 ILE 60 HG12 ILE 60 2.678 1.245 -17.275 479 HG13 ILE 60 HG13 ILE 60 2.207 1.957 -18.777 480 HG21 ILE 60 HG21 ILE 60 1.033 -1.138 -19.880 481 HG22 ILE 60 HG22 ILE 60 1.513 0.383 -20.667 482 HG23 ILE 60 HG23 ILE 60 2.474 -1.080 -20.922 483 HD11 ILE 60 HD11 ILE 60 0.055 0.711 -18.680 484 HD12 ILE 60 HD12 ILE 60 0.549 0.044 -17.089 485 HD13 ILE 60 HD13 ILE 60 0.329 1.799 -17.321 486 H VAL 61 H VAL 61 2.782 -3.506 -19.617 487 HA VAL 61 HA VAL 61 5.646 -3.854 -20.403 488 HB VAL 61 HB VAL 61 3.568 -6.020 -20.130 489 HG11 VAL 61 HG11 VAL 61 6.599 -6.105 -20.405 490 HG12 VAL 61 HG12 VAL 61 5.547 -7.512 -20.147 491 HG13 VAL 61 HG13 VAL 61 5.421 -6.577 -21.641 492 HG21 VAL 61 HG21 VAL 61 4.721 -6.709 -18.052 493 HG22 VAL 61 HG22 VAL 61 5.714 -5.238 -18.098 494 HG23 VAL 61 HG23 VAL 61 3.959 -5.131 -17.870 495 H GLY 62 H GLY 62 6.027 -3.602 -22.514 496 HA2 GLY 62 HA2 GLY 62 3.982 -4.372 -24.546 497 HA3 GLY 62 HA3 GLY 62 4.540 -2.696 -24.481 498 HA PRO 63 HA PRO 63 7.282 -5.233 -27.302 499 HB2 PRO 63 HB2 PRO 63 6.835 -3.815 -29.612 500 HB3 PRO 63 HB3 PRO 63 5.869 -5.236 -29.095 501 HG2 PRO 63 HG2 PRO 63 5.201 -2.309 -28.908 502 HG3 PRO 63 HG3 PRO 63 4.103 -3.682 -29.237 503 HD2 PRO 63 HD2 PRO 63 4.375 -2.424 -26.774 504 HD3 PRO 63 HD3 PRO 63 3.818 -4.105 -26.981 505 H SER 64 H SER 64 6.791 -1.835 -28.112 506 HA SER 64 HA SER 64 9.205 -0.682 -27.022 507 HB2 SER 64 HB2 SER 64 9.090 -1.254 -30.012 508 HB3 SER 64 HB3 SER 64 10.114 0.008 -29.282 509 HG SER 64 HG SER 64 10.231 -2.614 -28.324 510 H GLY 65 H GLY 65 9.387 1.643 -27.749 511 HA2 GLY 65 HA2 GLY 65 6.839 2.891 -27.346 512 HA3 GLY 65 HA3 GLY 65 8.387 3.702 -27.550 513 H SER 66 H SER 66 7.739 1.784 -30.285 514 HA SER 66 HA SER 66 6.394 3.984 -31.794 515 HB2 SER 66 HB2 SER 66 8.949 2.571 -32.627 516 HB3 SER 66 HB3 SER 66 7.989 3.662 -33.644 517 HG SER 66 HG SER 66 9.754 4.710 -32.585 518 H GLY 67 H GLY 67 4.573 3.087 -32.453 519 HA2 GLY 67 HA2 GLY 67 4.037 1.302 -34.401 520 HA3 GLY 67 HA3 GLY 67 4.337 0.214 -33.041 521 H LYS 68 H LYS 68 2.115 -0.422 -33.489 522 HA LYS 68 HA LYS 68 -0.205 1.068 -32.768 523 HB2 LYS 68 HB2 LYS 68 -1.345 -0.907 -32.896 524 HB3 LYS 68 HB3 LYS 68 -0.003 -1.172 -33.984 525 HG2 LYS 68 HG2 LYS 68 -0.442 -2.297 -31.209 526 HG3 LYS 68 HG3 LYS 68 -0.376 -3.168 -32.738 527 HD2 LYS 68 HD2 LYS 68 2.094 -2.540 -32.892 528 HD3 LYS 68 HD3 LYS 68 1.947 -1.840 -31.273 529 HE2 LYS 68 HE2 LYS 68 2.872 -3.984 -30.963 530 HE3 LYS 68 HE3 LYS 68 1.209 -4.073 -30.399 531 HZ1 LYS 68 HZ1 LYS 68 2.189 -5.035 -33.042 532 HZ2 LYS 68 HZ2 LYS 68 1.862 -5.971 -31.751 533 HZ3 LYS 68 HZ3 LYS 68 0.648 -5.184 -32.513 534 H SER 69 H SER 69 2.299 0.468 -30.698 535 HA SER 69 HA SER 69 1.311 -0.501 -28.293 536 HB2 SER 69 HB2 SER 69 3.456 1.614 -28.432 537 HB3 SER 69 HB3 SER 69 3.383 0.154 -27.429 538 HG SER 69 HG SER 69 4.865 0.040 -29.192 539 H THR 70 H THR 70 -0.025 2.164 -29.552 540 HA THR 70 HA THR 70 -0.037 4.247 -27.729 541 HB THR 70 HB THR 70 -2.621 3.329 -28.935 542 HG1 THR 70 HG1 THR 70 -1.914 4.158 -30.922 543 HG21 THR 70 HG21 THR 70 -2.900 5.719 -29.409 544 HG22 THR 70 HG22 THR 70 -2.521 5.495 -27.703 545 HG23 THR 70 HG23 THR 70 -1.252 6.057 -28.816 546 H LEU 71 H LEU 71 -1.830 1.156 -27.426 547 HA LEU 71 HA LEU 71 -3.606 1.897 -25.374 548 HB2 LEU 71 HB2 LEU 71 -2.354 -0.843 -25.359 549 HB3 LEU 71 HB3 LEU 71 -3.999 -0.339 -25.038 550 HG LEU 71 HG LEU 71 -4.352 -1.465 -26.903 551 HD11 LEU 71 HD11 LEU 71 -3.528 1.016 -28.467 552 HD12 LEU 71 HD12 LEU 71 -4.798 -0.134 -28.808 553 HD13 LEU 71 HD13 LEU 71 -4.968 0.985 -27.428 554 HD21 LEU 71 HD21 LEU 71 -2.095 -2.197 -27.301 555 HD22 LEU 71 HD22 LEU 71 -2.828 -1.696 -28.826 556 HD23 LEU 71 HD23 LEU 71 -1.656 -0.634 -28.023 557 H ALA 72 H ALA 72 -0.211 1.010 -25.154 558 HA ALA 72 HA ALA 72 -0.038 0.751 -22.293 559 HB1 ALA 72 HB1 ALA 72 2.120 1.372 -24.383 560 HB2 ALA 72 HB2 ALA 72 2.415 0.858 -22.720 561 HB3 ALA 72 HB3 ALA 72 1.622 -0.247 -23.859 562 H LYS 73 H LYS 73 0.679 3.507 -24.523 563 HA LYS 73 HA LYS 73 1.134 5.306 -22.297 564 HB2 LYS 73 HB2 LYS 73 1.174 7.149 -23.788 565 HB3 LYS 73 HB3 LYS 73 2.201 5.854 -24.372 566 HG2 LYS 73 HG2 LYS 73 0.996 5.527 -26.272 567 HG3 LYS 73 HG3 LYS 73 -0.563 5.852 -25.493 568 HD2 LYS 73 HD2 LYS 73 1.324 8.117 -26.069 569 HD3 LYS 73 HD3 LYS 73 0.217 7.469 -27.288 570 HE2 LYS 73 HE2 LYS 73 -1.713 7.796 -25.774 571 HE3 LYS 73 HE3 LYS 73 -0.660 8.422 -24.523 572 HZ1 LYS 73 HZ1 LYS 73 -1.693 10.227 -25.788 573 HZ2 LYS 73 HZ2 LYS 73 -0.082 10.274 -26.027 574 HZ3 LYS 73 HZ3 LYS 73 -1.066 9.690 -27.188 575 H ILE 74 H ILE 74 -1.853 4.381 -23.981 576 HA ILE 74 HA ILE 74 -3.500 6.455 -22.888 577 HB ILE 74 HB ILE 74 -4.133 3.631 -23.784 578 HG12 ILE 74 HG12 ILE 74 -4.889 6.303 -25.053 579 HG13 ILE 74 HG13 ILE 74 -3.408 5.466 -25.460 580 HG21 ILE 74 HG21 ILE 74 -6.538 4.253 -23.738 581 HG22 ILE 74 HG22 ILE 74 -5.859 4.275 -22.119 582 HG23 ILE 74 HG23 ILE 74 -6.127 5.806 -22.983 583 HD11 ILE 74 HD11 ILE 74 -5.016 4.921 -27.158 584 HD12 ILE 74 HD12 ILE 74 -4.830 3.456 -26.187 585 HD13 ILE 74 HD13 ILE 74 -6.243 4.494 -25.956 586 H VAL 75 H VAL 75 -2.818 3.111 -21.594 587 HA VAL 75 HA VAL 75 -4.113 3.491 -19.094 588 HB VAL 75 HB VAL 75 -1.609 1.881 -19.760 589 HG11 VAL 75 HG11 VAL 75 -3.491 1.528 -17.361 590 HG12 VAL 75 HG12 VAL 75 -2.080 0.541 -17.763 591 HG13 VAL 75 HG13 VAL 75 -1.866 2.220 -17.261 592 HG21 VAL 75 HG21 VAL 75 -4.504 1.016 -19.593 593 HG22 VAL 75 HG22 VAL 75 -3.465 1.067 -21.054 594 HG23 VAL 75 HG23 VAL 75 -3.113 -0.078 -19.778 595 H LYS 76 H LYS 76 -0.682 4.146 -19.980 596 HA LYS 76 HA LYS 76 0.066 5.247 -17.473 597 HB2 LYS 76 HB2 LYS 76 1.686 4.603 -19.143 598 HB3 LYS 76 HB3 LYS 76 1.116 5.842 -20.266 599 HG2 LYS 76 HG2 LYS 76 2.207 7.546 -19.237 600 HG3 LYS 76 HG3 LYS 76 1.986 6.884 -17.616 601 HD2 LYS 76 HD2 LYS 76 4.379 6.941 -18.279 602 HD3 LYS 76 HD3 LYS 76 3.795 5.341 -17.863 603 HE2 LYS 76 HE2 LYS 76 5.185 5.045 -19.689 604 HE3 LYS 76 HE3 LYS 76 3.554 4.774 -20.255 605 HZ1 LYS 76 HZ1 LYS 76 5.170 7.220 -20.722 606 HZ2 LYS 76 HZ2 LYS 76 4.771 6.061 -21.808 607 HZ3 LYS 76 HZ3 LYS 76 3.616 7.056 -21.210 608 H LYS 77 H LYS 77 -1.635 6.888 -20.106 609 HA LYS 77 HA LYS 77 -1.508 9.505 -18.784 610 HB2 LYS 77 HB2 LYS 77 -3.186 8.401 -21.065 611 HB3 LYS 77 HB3 LYS 77 -3.483 9.999 -20.404 612 HG2 LYS 77 HG2 LYS 77 -0.857 9.063 -21.623 613 HG3 LYS 77 HG3 LYS 77 -2.075 10.042 -22.432 614 HD2 LYS 77 HD2 LYS 77 -0.365 10.884 -20.052 615 HD3 LYS 77 HD3 LYS 77 -0.212 11.417 -21.721 616 HE2 LYS 77 HE2 LYS 77 -2.518 12.417 -21.576 617 HE3 LYS 77 HE3 LYS 77 -2.588 11.948 -19.883 618 HZ1 LYS 77 HZ1 LYS 77 -0.644 13.357 -19.473 619 HZ2 LYS 77 HZ2 LYS 77 -0.585 13.798 -21.046 620 HZ3 LYS 77 HZ3 LYS 77 -1.851 14.243 -20.129 621 H ILE 78 H ILE 78 -3.905 6.856 -18.719 622 HA ILE 78 HA ILE 78 -5.758 8.325 -17.051 623 HB ILE 78 HB ILE 78 -5.426 5.352 -17.414 624 HG12 ILE 78 HG12 ILE 78 -6.602 7.437 -19.082 625 HG13 ILE 78 HG13 ILE 78 -6.152 5.775 -19.431 626 HG21 ILE 78 HG21 ILE 78 -7.649 6.947 -16.063 627 HG22 ILE 78 HG22 ILE 78 -7.748 5.216 -16.445 628 HG23 ILE 78 HG23 ILE 78 -6.552 5.768 -15.299 629 HD11 ILE 78 HD11 ILE 78 -8.791 6.714 -18.281 630 HD12 ILE 78 HD12 ILE 78 -8.484 6.095 -19.919 631 HD13 ILE 78 HD13 ILE 78 -8.348 5.006 -18.524 632 H ILE 79 H ILE 79 -2.944 6.258 -16.169 633 HA ILE 79 HA ILE 79 -3.625 6.670 -13.321 634 HB ILE 79 HB ILE 79 -1.326 5.090 -14.462 635 HG12 ILE 79 HG12 ILE 79 -3.402 4.126 -15.315 636 HG13 ILE 79 HG13 ILE 79 -2.715 3.092 -14.089 637 HG21 ILE 79 HG21 ILE 79 -2.574 5.436 -11.705 638 HG22 ILE 79 HG22 ILE 79 -1.752 3.932 -12.118 639 HG23 ILE 79 HG23 ILE 79 -0.866 5.469 -12.204 640 HD11 ILE 79 HD11 ILE 79 -5.029 5.041 -13.602 641 HD12 ILE 79 HD12 ILE 79 -5.165 3.307 -13.917 642 HD13 ILE 79 HD13 ILE 79 -4.376 3.868 -12.426 643 H ALA 80 H ALA 80 -1.337 8.072 -15.590 644 HA ALA 80 HA ALA 80 0.437 9.168 -13.797 645 HB1 ALA 80 HB1 ALA 80 0.744 11.011 -15.491 646 HB2 ALA 80 HB2 ALA 80 0.814 9.385 -16.177 647 HB3 ALA 80 HB3 ALA 80 -0.660 10.381 -16.367 648 H ARG 81 H ARG 81 -2.862 10.368 -14.592 649 HA ARG 81 HA ARG 81 -2.550 12.593 -12.679 650 HB2 ARG 81 HB2 ARG 81 -4.389 13.586 -13.531 651 HB3 ARG 81 HB3 ARG 81 -3.760 12.806 -14.963 652 HG2 ARG 81 HG2 ARG 81 -5.937 11.589 -13.207 653 HG3 ARG 81 HG3 ARG 81 -6.302 12.743 -14.494 654 HD2 ARG 81 HD2 ARG 81 -5.651 11.202 -16.196 655 HD3 ARG 81 HD3 ARG 81 -4.774 10.205 -15.048 656 HE ARG 81 HE ARG 81 -6.650 9.079 -14.495 657 HH11 ARG 81 HH11 ARG 81 -7.827 11.901 -16.214 658 HH12 ARG 81 HH12 ARG 81 -9.488 11.361 -16.111 659 HH21 ARG 81 HH21 ARG 81 -8.739 8.545 -14.272 660 HH22 ARG 81 HH22 ARG 81 -9.983 9.464 -15.070 661 H ALA 82 H ALA 82 -3.816 9.337 -12.672 662 HA ALA 82 HA ALA 82 -5.664 9.597 -10.517 663 HB1 ALA 82 HB1 ALA 82 -3.836 7.251 -11.179 664 HB2 ALA 82 HB2 ALA 82 -5.325 7.175 -10.240 665 HB3 ALA 82 HB3 ALA 82 -5.403 7.565 -11.978 666 H GLY 83 H GLY 83 -2.231 9.673 -10.548 667 HA2 GLY 83 HA2 GLY 83 -1.244 10.972 -8.710 668 HA3 GLY 83 HA3 GLY 83 -2.201 10.019 -7.570 669 H ALA 84 H ALA 84 -0.591 8.305 -10.184 670 HA ALA 84 HA ALA 84 1.381 7.177 -8.238 671 HB1 ALA 84 HB1 ALA 84 -0.385 5.626 -8.387 672 HB2 ALA 84 HB2 ALA 84 -0.606 5.895 -10.124 673 HB3 ALA 84 HB3 ALA 84 0.822 5.025 -9.564 674 H LYS 85 H LYS 85 2.989 5.733 -9.407 675 HA LYS 85 HA LYS 85 4.099 7.197 -11.746 676 HB2 LYS 85 HB2 LYS 85 6.257 6.237 -11.162 677 HB3 LYS 85 HB3 LYS 85 5.561 7.167 -9.821 678 HG2 LYS 85 HG2 LYS 85 4.771 5.054 -8.780 679 HG3 LYS 85 HG3 LYS 85 5.424 4.138 -10.105 680 HD2 LYS 85 HD2 LYS 85 6.802 4.006 -8.134 681 HD3 LYS 85 HD3 LYS 85 7.723 4.736 -9.443 682 HE2 LYS 85 HE2 LYS 85 6.368 6.457 -7.317 683 HE3 LYS 85 HE3 LYS 85 7.884 5.648 -6.981 684 HZ1 LYS 85 HZ1 LYS 85 8.464 7.749 -7.714 685 HZ2 LYS 85 HZ2 LYS 85 8.814 6.806 -8.972 686 HZ3 LYS 85 HZ3 LYS 85 7.470 7.746 -9.005 687 H THR 86 H THR 86 4.126 6.351 -13.583 688 HA THR 86 HA THR 86 3.578 3.438 -13.993 689 HB THR 86 HB THR 86 2.768 5.520 -16.036 690 HG1 THR 86 HG1 THR 86 1.872 6.501 -14.303 691 HG21 THR 86 HG21 THR 86 1.977 3.661 -16.920 692 HG22 THR 86 HG22 THR 86 1.772 2.828 -15.372 693 HG23 THR 86 HG23 THR 86 0.574 4.027 -15.889 694 H ILE 87 H ILE 87 4.689 2.336 -15.456 695 HA ILE 87 HA ILE 87 6.741 3.792 -17.089 696 HB ILE 87 HB ILE 87 8.415 2.033 -16.372 697 HG12 ILE 87 HG12 ILE 87 6.847 0.456 -15.372 698 HG13 ILE 87 HG13 ILE 87 8.294 0.829 -14.430 699 HG21 ILE 87 HG21 ILE 87 7.566 4.110 -14.363 700 HG22 ILE 87 HG22 ILE 87 9.134 3.252 -14.429 701 HG23 ILE 87 HG23 ILE 87 8.639 4.321 -15.750 702 HD11 ILE 87 HD11 ILE 87 6.508 2.539 -13.259 703 HD12 ILE 87 HD12 ILE 87 5.420 1.305 -13.889 704 HD13 ILE 87 HD13 ILE 87 6.702 0.824 -12.761 705 H GLU 88 H GLU 88 7.850 2.391 -18.605 706 HA GLU 88 HA GLU 88 6.013 0.345 -19.789 707 HB2 GLU 88 HB2 GLU 88 7.246 2.760 -21.140 708 HB3 GLU 88 HB3 GLU 88 6.830 1.305 -22.039 709 HG2 GLU 88 HG2 GLU 88 4.485 1.487 -21.322 710 HG3 GLU 88 HG3 GLU 88 4.866 2.970 -20.440 711 H VAL 89 H VAL 89 7.216 -1.401 -19.211 712 HA VAL 89 HA VAL 89 10.081 -1.573 -19.904 713 HB VAL 89 HB VAL 89 10.261 -3.444 -18.659 714 HG11 VAL 89 HG11 VAL 89 7.793 -2.186 -17.383 715 HG12 VAL 89 HG12 VAL 89 8.950 -3.254 -16.585 716 HG13 VAL 89 HG13 VAL 89 9.483 -1.661 -17.146 717 HG21 VAL 89 HG21 VAL 89 7.327 -4.077 -19.020 718 HG22 VAL 89 HG22 VAL 89 8.700 -4.950 -19.761 719 HG23 VAL 89 HG23 VAL 89 8.450 -5.011 -18.016 720 H THR 90 H THR 90 10.874 -2.542 -21.740 721 HA THR 90 HA THR 90 8.936 -3.507 -23.769 722 HB THR 90 HB THR 90 10.974 -3.724 -25.225 723 HG1 THR 90 HG1 THR 90 12.705 -2.390 -24.467 724 HG21 THR 90 HG21 THR 90 10.550 -0.933 -24.109 725 HG22 THR 90 HG22 THR 90 11.007 -1.410 -25.770 726 HG23 THR 90 HG23 THR 90 9.393 -1.765 -25.173 727 H THR 91 H THR 91 9.841 -5.492 -25.087 728 HA THR 91 HA THR 91 9.544 -7.808 -23.508 729 HB THR 91 HB THR 91 10.400 -9.020 -25.544 730 HG1 THR 91 HG1 THR 91 10.793 -7.725 -27.348 731 HG21 THR 91 HG21 THR 91 8.000 -8.417 -25.293 732 HG22 THR 91 HG22 THR 91 8.313 -6.846 -26.061 733 HG23 THR 91 HG23 THR 91 8.515 -8.349 -26.985 734 H GLU 92 H GLU 92 12.568 -6.175 -24.398 735 HA GLU 92 HA GLU 92 13.891 -7.431 -22.151 736 HB2 GLU 92 HB2 GLU 92 14.097 -9.268 -23.872 737 HB3 GLU 92 HB3 GLU 92 14.999 -8.156 -24.900 738 HG2 GLU 92 HG2 GLU 92 16.756 -7.972 -23.169 739 HG3 GLU 92 HG3 GLU 92 15.804 -8.968 -22.076 740 H GLU 93 H GLU 93 14.512 -5.676 -25.226 741 HA GLU 93 HA GLU 93 17.051 -4.786 -24.720 742 HB2 GLU 93 HB2 GLU 93 14.888 -3.463 -26.387 743 HB3 GLU 93 HB3 GLU 93 16.598 -3.025 -26.445 744 HG2 GLU 93 HG2 GLU 93 17.169 -5.387 -27.043 745 HG3 GLU 93 HG3 GLU 93 15.455 -5.772 -27.094 746 H GLU 94 H GLU 94 14.247 -3.227 -23.306 747 HA GLU 94 HA GLU 94 16.086 -1.452 -21.795 748 HB2 GLU 94 HB2 GLU 94 15.113 -0.234 -23.761 749 HB3 GLU 94 HB3 GLU 94 13.505 -0.438 -23.061 750 HG2 GLU 94 HG2 GLU 94 13.951 1.087 -21.325 751 HG3 GLU 94 HG3 GLU 94 15.685 0.780 -21.386 752 H LEU 95 H LEU 95 14.362 -3.967 -21.422 753 HA LEU 95 HA LEU 95 12.175 -3.511 -19.721 754 HB2 LEU 95 HB2 LEU 95 12.796 -5.581 -20.926 755 HB3 LEU 95 HB3 LEU 95 14.101 -5.882 -19.795 756 HG LEU 95 HG LEU 95 11.156 -5.739 -18.995 757 HD11 LEU 95 HD11 LEU 95 12.877 -8.176 -19.628 758 HD12 LEU 95 HD12 LEU 95 11.213 -8.204 -18.996 759 HD13 LEU 95 HD13 LEU 95 11.532 -7.564 -20.613 760 HD21 LEU 95 HD21 LEU 95 12.600 -5.509 -17.027 761 HD22 LEU 95 HD22 LEU 95 11.945 -7.136 -17.053 762 HD23 LEU 95 HD23 LEU 95 13.617 -6.868 -17.579 763 H ARG 96 H ARG 96 15.518 -4.383 -18.719 764 HA ARG 96 HA ARG 96 15.094 -4.171 -15.923 765 HB2 ARG 96 HB2 ARG 96 16.968 -5.300 -17.146 766 HB3 ARG 96 HB3 ARG 96 17.713 -3.740 -17.436 767 HG2 ARG 96 HG2 ARG 96 17.073 -4.811 -14.648 768 HG3 ARG 96 HG3 ARG 96 18.559 -5.210 -15.486 769 HD2 ARG 96 HD2 ARG 96 17.734 -2.396 -14.672 770 HD3 ARG 96 HD3 ARG 96 18.893 -3.438 -13.855 771 HE ARG 96 HE ARG 96 19.747 -3.236 -16.542 772 HH11 ARG 96 HH11 ARG 96 19.503 -1.126 -13.752 773 HH12 ARG 96 HH12 ARG 96 20.847 -0.135 -14.272 774 HH21 ARG 96 HH21 ARG 96 21.440 -1.929 -17.153 775 HH22 ARG 96 HH22 ARG 96 21.906 -0.582 -16.149 776 H LYS 97 H LYS 97 16.252 -1.662 -18.159 777 HA LYS 97 HA LYS 97 16.641 0.433 -16.234 778 HB2 LYS 97 HB2 LYS 97 15.902 0.549 -19.180 779 HB3 LYS 97 HB3 LYS 97 16.344 1.951 -18.201 780 HG2 LYS 97 HG2 LYS 97 18.584 1.072 -17.818 781 HG3 LYS 97 HG3 LYS 97 18.175 -0.450 -18.617 782 HD2 LYS 97 HD2 LYS 97 19.490 0.942 -20.115 783 HD3 LYS 97 HD3 LYS 97 17.867 0.705 -20.760 784 HE2 LYS 97 HE2 LYS 97 17.276 2.998 -19.720 785 HE3 LYS 97 HE3 LYS 97 18.997 3.190 -19.405 786 HZ1 LYS 97 HZ1 LYS 97 17.697 2.900 -22.048 787 HZ2 LYS 97 HZ2 LYS 97 18.461 4.212 -21.492 788 HZ3 LYS 97 HZ3 LYS 97 19.323 2.872 -21.858 789 H ALA 98 H ALA 98 13.743 -0.284 -18.253 790 HA ALA 98 HA ALA 98 12.111 1.794 -17.197 791 HB1 ALA 98 HB1 ALA 98 11.387 -0.937 -18.295 792 HB2 ALA 98 HB2 ALA 98 10.261 0.412 -18.072 793 HB3 ALA 98 HB3 ALA 98 11.577 0.557 -19.268 794 H VAL 99 H VAL 99 12.351 -1.664 -16.184 795 HA VAL 99 HA VAL 99 10.459 -1.520 -14.099 796 HB VAL 99 HB VAL 99 12.971 -3.242 -14.370 797 HG11 VAL 99 HG11 VAL 99 10.723 -3.553 -12.343 798 HG12 VAL 99 HG12 VAL 99 12.008 -4.735 -12.654 799 HG13 VAL 99 HG13 VAL 99 12.431 -3.169 -11.974 800 HG21 VAL 99 HG21 VAL 99 11.140 -3.677 -16.019 801 HG22 VAL 99 HG22 VAL 99 11.392 -5.040 -14.927 802 HG23 VAL 99 HG23 VAL 99 10.012 -3.959 -14.663 803 H ALA 100 H ALA 100 13.998 -1.000 -14.018 804 HA ALA 100 HA ALA 100 14.224 -0.392 -11.270 805 HB1 ALA 100 HB1 ALA 100 15.928 0.588 -13.601 806 HB2 ALA 100 HB2 ALA 100 16.383 0.631 -11.882 807 HB3 ALA 100 HB3 ALA 100 16.134 -0.925 -12.696 808 H LYS 101 H LYS 101 13.519 1.822 -13.985 809 HA LYS 101 HA LYS 101 13.659 4.288 -12.769 810 HB2 LYS 101 HB2 LYS 101 13.283 3.603 -15.230 811 HB3 LYS 101 HB3 LYS 101 11.575 3.452 -14.846 812 HG2 LYS 101 HG2 LYS 101 12.060 5.556 -15.952 813 HG3 LYS 101 HG3 LYS 101 11.482 5.873 -14.318 814 HD2 LYS 101 HD2 LYS 101 13.760 6.326 -13.541 815 HD3 LYS 101 HD3 LYS 101 14.426 5.791 -15.098 816 HE2 LYS 101 HE2 LYS 101 13.241 7.645 -16.240 817 HE3 LYS 101 HE3 LYS 101 12.549 8.161 -14.701 818 HZ1 LYS 101 HZ1 LYS 101 14.827 8.603 -13.921 819 HZ2 LYS 101 HZ2 LYS 101 15.446 8.134 -15.360 820 HZ3 LYS 101 HZ3 LYS 101 14.511 9.464 -15.267 821 H ALA 102 H ALA 102 11.115 1.966 -12.218 822 HA ALA 102 HA ALA 102 9.952 3.881 -10.217 823 HB1 ALA 102 HB1 ALA 102 7.694 3.008 -10.952 824 HB2 ALA 102 HB2 ALA 102 8.540 4.021 -12.149 825 HB3 ALA 102 HB3 ALA 102 8.556 2.234 -12.305 826 H ARG 103 H ARG 103 9.730 0.396 -11.253 827 HA ARG 103 HA ARG 103 8.797 -0.499 -8.687 828 HB2 ARG 103 HB2 ARG 103 9.176 -1.634 -11.239 829 HB3 ARG 103 HB3 ARG 103 10.315 -2.511 -10.240 830 HG2 ARG 103 HG2 ARG 103 7.364 -2.137 -9.556 831 HG3 ARG 103 HG3 ARG 103 7.978 -3.500 -10.475 832 HD2 ARG 103 HD2 ARG 103 8.930 -2.865 -7.648 833 HD3 ARG 103 HD3 ARG 103 7.557 -3.893 -8.015 834 HE ARG 103 HE ARG 103 8.970 -5.460 -9.178 835 HH11 ARG 103 HH11 ARG 103 10.886 -3.172 -7.283 836 HH12 ARG 103 HH12 ARG 103 12.163 -4.338 -7.058 837 HH21 ARG 103 HH21 ARG 103 10.679 -6.819 -8.904 838 HH22 ARG 103 HH22 ARG 103 12.071 -6.303 -7.994 839 H GLY 104 H GLY 104 11.941 0.305 -9.840 840 HA2 GLY 104 HA2 GLY 104 13.306 -0.747 -7.385 841 HA3 GLY 104 HA3 GLY 104 14.092 0.148 -8.698 842 H SER 105 H SER 105 12.781 2.408 -9.044 843 HA SER 105 HA SER 105 13.963 4.021 -7.117 844 HB2 SER 105 HB2 SER 105 11.722 4.744 -9.034 845 HB3 SER 105 HB3 SER 105 12.681 5.903 -8.107 846 HG SER 105 HG SER 105 14.529 5.182 -9.178 847 H TRP 106 H TRP 106 10.496 3.059 -7.254 848 HA TRP 106 HA TRP 106 9.462 4.684 -5.238 849 HB2 TRP 106 HB2 TRP 106 8.300 3.019 -6.769 850 HB3 TRP 106 HB3 TRP 106 8.760 1.753 -5.658 851 HD1 TRP 106 HD1 TRP 106 6.106 4.329 -6.169 852 HE1 TRP 106 HE1 TRP 106 4.512 4.421 -4.266 853 HE3 TRP 106 HE3 TRP 106 8.624 1.275 -2.915 854 HZ2 TRP 106 HZ2 TRP 106 4.480 3.601 -1.433 855 HZ3 TRP 106 HZ3 TRP 106 7.848 1.004 -0.609 856 HH2 TRP 106 HH2 TRP 106 5.780 2.182 0.177 857 H SER 107 H SER 107 11.117 1.533 -4.789 858 HA SER 107 HA SER 107 10.962 1.672 -1.859 859 HB2 SER 107 HB2 SER 107 12.230 -0.299 -3.788 860 HB3 SER 107 HB3 SER 107 12.318 -0.453 -2.022 861 HG SER 107 HG SER 107 10.545 -1.619 -2.899 862 H LEU 108 H LEU 108 12.740 3.410 -3.919 863 HA LEU 108 HA LEU 108 15.048 3.649 -2.167 864 HB2 LEU 108 HB2 LEU 108 14.692 3.364 -5.041 865 HB3 LEU 108 HB3 LEU 108 15.213 5.003 -4.759 866 HG LEU 108 HG LEU 108 17.110 3.633 -5.187 867 HD11 LEU 108 HD11 LEU 108 17.029 4.166 -2.202 868 HD12 LEU 108 HD12 LEU 108 18.461 4.158 -3.275 869 HD13 LEU 108 HD13 LEU 108 17.194 5.415 -3.439 870 HD21 LEU 108 HD21 LEU 108 16.199 1.425 -4.535 871 HD22 LEU 108 HD22 LEU 108 17.787 1.726 -3.816 872 HD23 LEU 108 HD23 LEU 108 16.326 1.876 -2.819 873 H GLU 109 H GLU 109 12.225 5.230 -3.477 874 HA GLU 109 HA GLU 109 12.787 7.949 -2.506 875 HB2 GLU 109 HB2 GLU 109 10.228 6.667 -3.529 876 HB3 GLU 109 HB3 GLU 109 10.501 8.382 -3.282 877 HG2 GLU 109 HG2 GLU 109 12.480 7.752 -5.123 878 HG3 GLU 109 HG3 GLU 109 11.198 6.647 -5.569 879 H HIS 110 H HIS 110 10.623 5.235 -1.651 880 HA HIS 110 HA HIS 110 9.561 6.739 0.699 881 HB2 HIS 110 HB2 HIS 110 8.271 4.570 -0.993 882 HB3 HIS 110 HB3 HIS 110 7.503 5.459 0.313 883 HD2 HIS 110 HD2 HIS 110 7.890 5.555 -3.355 884 HE1 HIS 110 HE1 HIS 110 6.832 9.556 -2.344 885 HE2 HIS 110 HE2 HIS 110 7.127 7.917 -4.258 886 H HIS 111 H HIS 111 11.823 4.532 0.384 887 HA HIS 111 HA HIS 111 11.025 3.085 2.887 888 HB2 HIS 111 HB2 HIS 111 10.747 1.654 0.827 889 HB3 HIS 111 HB3 HIS 111 12.490 1.787 0.578 890 HD2 HIS 111 HD2 HIS 111 9.995 0.535 3.313 891 HE1 HIS 111 HE1 HIS 111 13.592 -1.703 3.758 892 HE2 HIS 111 HE2 HIS 111 11.217 -1.409 4.603 893 H HIS 112 H HIS 112 12.703 2.245 4.183 894 HA HIS 112 HA HIS 112 15.418 3.378 4.025 895 HB2 HIS 112 HB2 HIS 112 14.336 5.285 4.952 896 HB3 HIS 112 HB3 HIS 112 13.229 4.303 5.905 897 HD2 HIS 112 HD2 HIS 112 16.995 5.317 5.922 898 HE1 HIS 112 HE1 HIS 112 15.926 4.167 9.881 899 HE2 HIS 112 HE2 HIS 112 17.765 5.106 8.448 900 H HIS 113 H HIS 113 16.859 2.281 5.345 901 HA HIS 113 HA HIS 113 16.017 0.432 7.436 902 HB2 HIS 113 HB2 HIS 113 15.462 -0.871 5.367 903 HB3 HIS 113 HB3 HIS 113 17.141 -0.752 4.862 904 HD2 HIS 113 HD2 HIS 113 15.069 -2.178 7.852 905 HE1 HIS 113 HE1 HIS 113 18.498 -4.661 7.375 906 HE2 HIS 113 HE2 HIS 113 16.337 -4.335 8.676 907 H HIS 114 H HIS 114 18.687 1.522 5.342 908 HA HIS 114 HA HIS 114 20.761 0.070 6.380 909 HB2 HIS 114 HB2 HIS 114 20.741 1.519 4.344 910 HB3 HIS 114 HB3 HIS 114 20.978 2.927 5.378 911 HD2 HIS 114 HD2 HIS 114 23.471 3.611 5.598 912 HE1 HIS 114 HE1 HIS 114 25.353 -0.127 4.802 913 HE2 HIS 114 HE2 HIS 114 25.749 2.340 5.262 914 H HIS 115 H HIS 115 19.794 3.222 7.714 915 HA HIS 115 HA HIS 115 21.117 2.633 10.294 916 HB2 HIS 115 HB2 HIS 115 21.802 5.058 8.576 917 HB3 HIS 115 HB3 HIS 115 22.065 5.007 10.307 918 HD2 HIS 115 HD2 HIS 115 23.463 2.302 10.831 919 HE1 HIS 115 HE1 HIS 115 26.323 3.498 7.913 920 HE2 HIS 115 HE2 HIS 115 25.883 1.927 9.862 Start of MODEL 6 1 H1 MET 1 H1 MET 1 1.510 -1.607 0.261 2 H2 MET 1 H2 MET 1 2.637 -0.470 0.608 3 H3 MET 1 H3 MET 1 3.013 -1.714 -0.389 4 HA MET 1 HA MET 1 1.031 0.384 -0.955 5 HB2 MET 1 HB2 MET 1 2.498 1.375 -2.488 6 HB3 MET 1 HB3 MET 1 3.442 1.137 -1.036 7 HG2 MET 1 HG2 MET 1 3.561 -0.564 -3.562 8 HG3 MET 1 HG3 MET 1 4.694 0.687 -3.104 9 HE1 MET 1 HE1 MET 1 5.801 -1.971 -4.043 10 HE2 MET 1 HE2 MET 1 6.843 -0.708 -3.361 11 HE3 MET 1 HE3 MET 1 7.002 -2.379 -2.788 12 H ARG 2 H ARG 2 -0.001 0.289 -3.086 13 HA ARG 2 HA ARG 2 -0.387 -2.492 -3.918 14 HB2 ARG 2 HB2 ARG 2 -2.296 -0.828 -3.708 15 HB3 ARG 2 HB3 ARG 2 -1.666 -0.049 -5.153 16 HG2 ARG 2 HG2 ARG 2 -1.960 -2.097 -6.473 17 HG3 ARG 2 HG3 ARG 2 -2.292 -3.054 -5.033 18 HD2 ARG 2 HD2 ARG 2 -4.077 -0.897 -6.184 19 HD3 ARG 2 HD3 ARG 2 -4.297 -2.643 -6.386 20 HE ARG 2 HE ARG 2 -4.939 -1.001 -4.070 21 HH11 ARG 2 HH11 ARG 2 -4.736 -4.397 -5.118 22 HH12 ARG 2 HH12 ARG 2 -5.222 -4.952 -3.555 23 HH21 ARG 2 HH21 ARG 2 -5.646 -1.836 -2.172 24 HH22 ARG 2 HH22 ARG 2 -5.842 -3.558 -1.983 25 H VAL 3 H VAL 3 0.179 -3.455 -5.689 26 HA VAL 3 HA VAL 3 1.861 -2.038 -7.711 27 HB VAL 3 HB VAL 3 2.069 -4.886 -6.628 28 HG11 VAL 3 HG11 VAL 3 2.592 -4.976 -9.028 29 HG12 VAL 3 HG12 VAL 3 3.667 -3.567 -8.868 30 HG13 VAL 3 HG13 VAL 3 4.068 -5.119 -8.090 31 HG21 VAL 3 HG21 VAL 3 4.005 -2.532 -6.528 32 HG22 VAL 3 HG22 VAL 3 3.102 -3.193 -5.155 33 HG23 VAL 3 HG23 VAL 3 4.340 -4.175 -5.942 34 H ILE 4 H ILE 4 1.462 -2.446 -9.829 35 HA ILE 4 HA ILE 4 -0.605 -4.437 -10.624 36 HB ILE 4 HB ILE 4 -0.652 -1.487 -11.168 37 HG12 ILE 4 HG12 ILE 4 -2.474 -3.640 -10.053 38 HG13 ILE 4 HG13 ILE 4 -1.992 -2.124 -9.307 39 HG21 ILE 4 HG21 ILE 4 -2.087 -3.606 -12.794 40 HG22 ILE 4 HG22 ILE 4 -2.288 -1.841 -12.958 41 HG23 ILE 4 HG23 ILE 4 -0.750 -2.543 -13.374 42 HD11 ILE 4 HD11 ILE 4 -4.064 -2.591 -11.481 43 HD12 ILE 4 HD12 ILE 4 -4.283 -1.854 -9.880 44 HD13 ILE 4 HD13 ILE 4 -3.365 -0.992 -11.148 45 H VAL 5 H VAL 5 -0.278 -5.327 -12.552 46 HA VAL 5 HA VAL 5 1.952 -4.313 -14.216 47 HB VAL 5 HB VAL 5 1.506 -7.275 -13.820 48 HG11 VAL 5 HG11 VAL 5 2.336 -6.630 -16.083 49 HG12 VAL 5 HG12 VAL 5 3.674 -5.741 -15.321 50 HG13 VAL 5 HG13 VAL 5 3.561 -7.503 -15.149 51 HG21 VAL 5 HG21 VAL 5 3.771 -5.511 -12.784 52 HG22 VAL 5 HG22 VAL 5 2.567 -6.367 -11.804 53 HG23 VAL 5 HG23 VAL 5 3.735 -7.290 -12.747 54 H VAL 6 H VAL 6 1.074 -3.576 -16.007 55 HA VAL 6 HA VAL 6 -1.381 -4.940 -17.086 56 HB VAL 6 HB VAL 6 -0.383 -2.172 -17.803 57 HG11 VAL 6 HG11 VAL 6 -2.824 -3.815 -18.555 58 HG12 VAL 6 HG12 VAL 6 -2.785 -2.053 -18.712 59 HG13 VAL 6 HG13 VAL 6 -1.633 -3.025 -19.623 60 HG21 VAL 6 HG21 VAL 6 -1.166 -2.064 -15.522 61 HG22 VAL 6 HG22 VAL 6 -2.469 -1.434 -16.518 62 HG23 VAL 6 HG23 VAL 6 -2.575 -3.094 -15.886 63 H ILE 7 H ILE 7 -1.308 -5.759 -19.189 64 HA ILE 7 HA ILE 7 1.306 -5.507 -20.637 65 HB ILE 7 HB ILE 7 -0.293 -8.056 -20.367 66 HG12 ILE 7 HG12 ILE 7 1.984 -8.809 -19.246 67 HG13 ILE 7 HG13 ILE 7 2.139 -7.095 -18.849 68 HG21 ILE 7 HG21 ILE 7 1.871 -8.985 -21.429 69 HG22 ILE 7 HG22 ILE 7 0.763 -8.090 -22.463 70 HG23 ILE 7 HG23 ILE 7 2.252 -7.318 -21.849 71 HD11 ILE 7 HD11 ILE 7 0.132 -7.199 -17.482 72 HD12 ILE 7 HD12 ILE 7 -0.287 -8.805 -18.115 73 HD13 ILE 7 HD13 ILE 7 1.122 -8.609 -17.069 74 H VAL 8 H VAL 8 1.158 -4.929 -22.753 75 HA VAL 8 HA VAL 8 -1.411 -4.725 -24.106 76 HB VAL 8 HB VAL 8 1.385 -4.472 -25.292 77 HG11 VAL 8 HG11 VAL 8 -1.357 -3.632 -26.344 78 HG12 VAL 8 HG12 VAL 8 0.207 -3.216 -27.089 79 HG13 VAL 8 HG13 VAL 8 -0.318 -4.897 -27.025 80 HG21 VAL 8 HG21 VAL 8 1.007 -2.756 -23.568 81 HG22 VAL 8 HG22 VAL 8 0.948 -2.035 -25.180 82 HG23 VAL 8 HG23 VAL 8 -0.563 -2.347 -24.291 83 H GLY 9 H GLY 9 -2.476 -6.575 -24.508 84 HA2 GLY 9 HA2 GLY 9 -1.657 -8.408 -26.481 85 HA3 GLY 9 HA3 GLY 9 -1.344 -9.155 -24.914 86 HA PRO 10 HA PRO 10 -2.060 -11.202 -25.799 87 HB2 PRO 10 HB2 PRO 10 -3.437 -12.949 -27.401 88 HB3 PRO 10 HB3 PRO 10 -3.656 -12.851 -25.634 89 HG2 PRO 10 HG2 PRO 10 -5.335 -11.516 -27.781 90 HG3 PRO 10 HG3 PRO 10 -5.892 -12.508 -26.390 91 HD2 PRO 10 HD2 PRO 10 -5.857 -9.787 -26.275 92 HD3 PRO 10 HD3 PRO 10 -5.436 -10.779 -24.854 93 H SER 11 H SER 11 -0.775 -11.902 -27.571 94 HA SER 11 HA SER 11 0.307 -11.882 -29.518 95 HB2 SER 11 HB2 SER 11 -2.162 -12.295 -30.310 96 HB3 SER 11 HB3 SER 11 -1.992 -10.691 -31.032 97 HG SER 11 HG SER 11 -1.331 -12.251 -32.497 98 H GLY 12 H GLY 12 -0.439 -9.043 -28.039 99 HA2 GLY 12 HA2 GLY 12 0.593 -7.114 -29.992 100 HA3 GLY 12 HA3 GLY 12 0.187 -6.816 -28.297 101 H ALA 13 H ALA 13 1.772 -7.622 -26.635 102 HA ALA 13 HA ALA 13 4.561 -7.211 -27.321 103 HB1 ALA 13 HB1 ALA 13 3.547 -6.658 -25.115 104 HB2 ALA 13 HB2 ALA 13 3.259 -8.386 -24.819 105 HB3 ALA 13 HB3 ALA 13 4.920 -7.768 -24.961 106 H GLY 14 H GLY 14 2.447 -10.016 -27.056 107 HA2 GLY 14 HA2 GLY 14 3.804 -11.798 -28.667 108 HA3 GLY 14 HA3 GLY 14 4.470 -12.090 -27.059 109 H LYS 15 H LYS 15 3.401 -14.230 -27.780 110 HA LYS 15 HA LYS 15 0.484 -14.364 -27.124 111 HB2 LYS 15 HB2 LYS 15 2.314 -16.325 -28.551 112 HB3 LYS 15 HB3 LYS 15 0.592 -16.575 -28.233 113 HG2 LYS 15 HG2 LYS 15 0.013 -14.596 -29.581 114 HG3 LYS 15 HG3 LYS 15 1.728 -14.298 -29.906 115 HD2 LYS 15 HD2 LYS 15 1.892 -16.523 -31.019 116 HD3 LYS 15 HD3 LYS 15 0.156 -16.775 -30.738 117 HE2 LYS 15 HE2 LYS 15 -0.343 -14.728 -32.055 118 HE3 LYS 15 HE3 LYS 15 1.382 -14.466 -32.304 119 HZ1 LYS 15 HZ1 LYS 15 0.406 -15.581 -34.216 120 HZ2 LYS 15 HZ2 LYS 15 1.466 -16.590 -33.506 121 HZ3 LYS 15 HZ3 LYS 15 -0.143 -16.808 -33.300 122 H THR 16 H THR 16 3.514 -15.315 -25.793 123 HA THR 16 HA THR 16 2.109 -16.735 -23.537 124 HB THR 16 HB THR 16 4.878 -17.415 -24.589 125 HG1 THR 16 HG1 THR 16 3.881 -19.152 -25.567 126 HG21 THR 16 HG21 THR 16 2.968 -18.878 -22.718 127 HG22 THR 16 HG22 THR 16 4.473 -19.560 -23.369 128 HG23 THR 16 HG23 THR 16 4.546 -18.176 -22.278 129 H THR 17 H THR 17 4.469 -14.294 -24.402 130 HA THR 17 HA THR 17 5.860 -13.971 -21.992 131 HB THR 17 HB THR 17 6.363 -12.783 -24.075 132 HG1 THR 17 HG1 THR 17 7.272 -11.956 -22.260 133 HG21 THR 17 HG21 THR 17 5.213 -10.865 -24.825 134 HG22 THR 17 HG22 THR 17 3.910 -12.049 -24.515 135 HG23 THR 17 HG23 THR 17 4.227 -10.748 -23.361 136 H LEU 18 H LEU 18 2.718 -12.436 -22.840 137 HA LEU 18 HA LEU 18 2.215 -11.149 -20.381 138 HB2 LEU 18 HB2 LEU 18 -0.080 -11.023 -21.169 139 HB3 LEU 18 HB3 LEU 18 1.021 -10.796 -22.510 140 HG LEU 18 HG LEU 18 0.623 -13.450 -22.852 141 HD11 LEU 18 HD11 LEU 18 -1.702 -14.066 -22.481 142 HD12 LEU 18 HD12 LEU 18 -1.006 -13.647 -20.914 143 HD13 LEU 18 HD13 LEU 18 -2.056 -12.490 -21.740 144 HD21 LEU 18 HD21 LEU 18 0.233 -11.686 -24.505 145 HD22 LEU 18 HD22 LEU 18 -1.086 -12.867 -24.487 146 HD23 LEU 18 HD23 LEU 18 -1.301 -11.271 -23.705 147 H ASP 19 H ASP 19 2.142 -14.462 -21.097 148 HA ASP 19 HA ASP 19 0.130 -15.249 -19.076 149 HB2 ASP 19 HB2 ASP 19 0.880 -16.284 -21.458 150 HB3 ASP 19 HB3 ASP 19 1.917 -17.252 -20.422 151 H GLU 20 H GLU 20 3.543 -16.049 -19.766 152 HA GLU 20 HA GLU 20 4.136 -17.044 -17.194 153 HB2 GLU 20 HB2 GLU 20 6.429 -16.992 -17.804 154 HB3 GLU 20 HB3 GLU 20 5.490 -17.424 -19.235 155 HG2 GLU 20 HG2 GLU 20 5.767 -15.210 -20.169 156 HG3 GLU 20 HG3 GLU 20 6.549 -14.622 -18.702 157 H LEU 21 H LEU 21 3.971 -13.765 -18.435 158 HA LEU 21 HA LEU 21 5.195 -12.428 -16.164 159 HB2 LEU 21 HB2 LEU 21 3.479 -11.645 -18.500 160 HB3 LEU 21 HB3 LEU 21 3.472 -10.577 -17.142 161 HG LEU 21 HG LEU 21 5.099 -10.197 -19.113 162 HD11 LEU 21 HD11 LEU 21 4.961 -8.866 -16.999 163 HD12 LEU 21 HD12 LEU 21 6.066 -10.008 -16.217 164 HD13 LEU 21 HD13 LEU 21 6.628 -8.998 -17.571 165 HD21 LEU 21 HD21 LEU 21 7.416 -10.907 -18.771 166 HD22 LEU 21 HD22 LEU 21 6.941 -11.971 -17.440 167 HD23 LEU 21 HD23 LEU 21 6.393 -12.304 -19.099 168 H ALA 22 H ALA 22 1.658 -12.810 -17.000 169 HA ALA 22 HA ALA 22 0.735 -11.860 -14.557 170 HB1 ALA 22 HB1 ALA 22 -0.540 -13.965 -16.350 171 HB2 ALA 22 HB2 ALA 22 -1.376 -12.984 -15.124 172 HB3 ALA 22 HB3 ALA 22 -0.675 -12.198 -16.543 173 H ARG 23 H ARG 23 1.620 -15.193 -15.365 174 HA ARG 23 HA ARG 23 1.069 -16.507 -12.889 175 HB2 ARG 23 HB2 ARG 23 3.158 -16.967 -15.048 176 HB3 ARG 23 HB3 ARG 23 2.935 -18.058 -13.682 177 HG2 ARG 23 HG2 ARG 23 0.786 -18.741 -14.384 178 HG3 ARG 23 HG3 ARG 23 0.577 -17.370 -15.472 179 HD2 ARG 23 HD2 ARG 23 0.992 -19.453 -16.707 180 HD3 ARG 23 HD3 ARG 23 2.223 -18.231 -17.029 181 HE ARG 23 HE ARG 23 3.009 -20.027 -14.888 182 HH11 ARG 23 HH11 ARG 23 2.801 -19.874 -18.367 183 HH12 ARG 23 HH12 ARG 23 4.159 -20.956 -18.602 184 HH21 ARG 23 HH21 ARG 23 4.752 -21.392 -15.239 185 HH22 ARG 23 HH22 ARG 23 5.229 -21.786 -16.871 186 H LYS 24 H LYS 24 4.334 -15.352 -13.943 187 HA LYS 24 HA LYS 24 5.486 -15.787 -11.369 188 HB2 LYS 24 HB2 LYS 24 6.404 -14.165 -13.769 189 HB3 LYS 24 HB3 LYS 24 7.353 -14.292 -12.285 190 HG2 LYS 24 HG2 LYS 24 7.404 -16.730 -12.426 191 HG3 LYS 24 HG3 LYS 24 6.433 -16.712 -13.898 192 HD2 LYS 24 HD2 LYS 24 9.155 -15.346 -13.660 193 HD3 LYS 24 HD3 LYS 24 8.931 -17.020 -14.196 194 HE2 LYS 24 HE2 LYS 24 7.435 -16.226 -16.015 195 HE3 LYS 24 HE3 LYS 24 7.732 -14.560 -15.546 196 HZ1 LYS 24 HZ1 LYS 24 9.177 -15.457 -17.398 197 HZ2 LYS 24 HZ2 LYS 24 10.026 -14.800 -16.168 198 HZ3 LYS 24 HZ3 LYS 24 9.909 -16.422 -16.326 199 H ALA 25 H ALA 25 4.242 -12.732 -12.761 200 HA ALA 25 HA ALA 25 4.854 -11.070 -10.502 201 HB1 ALA 25 HB1 ALA 25 2.561 -10.823 -12.479 202 HB2 ALA 25 HB2 ALA 25 3.224 -9.551 -11.431 203 HB3 ALA 25 HB3 ALA 25 4.212 -10.221 -12.740 204 H LYS 26 H LYS 26 1.520 -12.620 -11.179 205 HA LYS 26 HA LYS 26 0.713 -11.844 -8.592 206 HB2 LYS 26 HB2 LYS 26 -0.725 -12.655 -10.598 207 HB3 LYS 26 HB3 LYS 26 -0.381 -14.285 -10.020 208 HG2 LYS 26 HG2 LYS 26 -2.392 -13.838 -8.927 209 HG3 LYS 26 HG3 LYS 26 -1.228 -13.361 -7.698 210 HD2 LYS 26 HD2 LYS 26 -1.528 -10.945 -8.931 211 HD3 LYS 26 HD3 LYS 26 -3.091 -11.679 -9.346 212 HE2 LYS 26 HE2 LYS 26 -2.919 -12.407 -6.741 213 HE3 LYS 26 HE3 LYS 26 -1.857 -11.000 -6.706 214 HZ1 LYS 26 HZ1 LYS 26 -4.177 -10.483 -6.149 215 HZ2 LYS 26 HZ2 LYS 26 -3.693 -9.650 -7.459 216 HZ3 LYS 26 HZ3 LYS 26 -4.685 -10.954 -7.628 217 H GLU 27 H GLU 27 2.545 -14.773 -9.491 218 HA GLU 27 HA GLU 27 2.339 -16.095 -6.946 219 HB2 GLU 27 HB2 GLU 27 4.372 -16.141 -9.186 220 HB3 GLU 27 HB3 GLU 27 4.702 -16.941 -7.656 221 HG2 GLU 27 HG2 GLU 27 2.627 -18.262 -7.860 222 HG3 GLU 27 HG3 GLU 27 2.254 -17.479 -9.390 223 H GLU 28 H GLU 28 4.835 -13.710 -8.059 224 HA GLU 28 HA GLU 28 6.011 -13.656 -5.378 225 HB2 GLU 28 HB2 GLU 28 7.757 -12.414 -6.291 226 HB3 GLU 28 HB3 GLU 28 7.343 -13.640 -7.486 227 HG2 GLU 28 HG2 GLU 28 5.917 -11.756 -8.603 228 HG3 GLU 28 HG3 GLU 28 6.798 -10.659 -7.550 229 H VAL 29 H VAL 29 3.662 -11.772 -7.020 230 HA VAL 29 HA VAL 29 3.340 -9.960 -4.700 231 HB VAL 29 HB VAL 29 2.815 -8.068 -6.067 232 HG11 VAL 29 HG11 VAL 29 5.035 -7.392 -6.660 233 HG12 VAL 29 HG12 VAL 29 5.155 -8.419 -5.215 234 HG13 VAL 29 HG13 VAL 29 5.565 -9.067 -6.827 235 HG21 VAL 29 HG21 VAL 29 2.332 -9.380 -8.245 236 HG22 VAL 29 HG22 VAL 29 3.251 -7.860 -8.390 237 HG23 VAL 29 HG23 VAL 29 4.088 -9.430 -8.461 238 HA PRO 30 HA PRO 30 -0.558 -12.284 -5.617 239 HB2 PRO 30 HB2 PRO 30 -1.004 -13.055 -3.015 240 HB3 PRO 30 HB3 PRO 30 0.039 -13.970 -4.160 241 HG2 PRO 30 HG2 PRO 30 0.851 -11.939 -2.065 242 HG3 PRO 30 HG3 PRO 30 1.558 -13.565 -2.358 243 HD2 PRO 30 HD2 PRO 30 2.681 -11.302 -3.366 244 HD3 PRO 30 HD3 PRO 30 2.650 -12.811 -4.332 245 H ASP 31 H ASP 31 0.372 -9.535 -3.957 246 HA ASP 31 HA ASP 31 -2.347 -8.704 -3.074 247 HB2 ASP 31 HB2 ASP 31 0.009 -8.402 -1.868 248 HB3 ASP 31 HB3 ASP 31 0.159 -7.014 -2.905 249 H ALA 32 H ALA 32 -0.309 -8.439 -5.759 250 HA ALA 32 HA ALA 32 -0.989 -5.784 -6.695 251 HB1 ALA 32 HB1 ALA 32 0.357 -8.126 -8.097 252 HB2 ALA 32 HB2 ALA 32 0.419 -6.429 -8.598 253 HB3 ALA 32 HB3 ALA 32 1.179 -6.932 -7.070 254 H GLU 33 H GLU 33 -1.730 -5.541 -9.087 255 HA GLU 33 HA GLU 33 -3.806 -7.591 -9.803 256 HB2 GLU 33 HB2 GLU 33 -4.131 -4.873 -10.924 257 HB3 GLU 33 HB3 GLU 33 -5.332 -6.038 -10.473 258 HG2 GLU 33 HG2 GLU 33 -3.777 -4.356 -8.436 259 HG3 GLU 33 HG3 GLU 33 -5.223 -3.805 -9.255 260 H ILE 34 H ILE 34 -3.024 -8.829 -11.409 261 HA ILE 34 HA ILE 34 -1.482 -7.507 -13.539 262 HB ILE 34 HB ILE 34 -1.724 -10.490 -13.278 263 HG12 ILE 34 HG12 ILE 34 -1.245 -9.933 -10.997 264 HG13 ILE 34 HG13 ILE 34 0.122 -10.645 -11.754 265 HG21 ILE 34 HG21 ILE 34 0.838 -9.880 -13.976 266 HG22 ILE 34 HG22 ILE 34 -0.515 -10.096 -15.125 267 HG23 ILE 34 HG23 ILE 34 -0.007 -8.495 -14.654 268 HD11 ILE 34 HD11 ILE 34 1.229 -8.413 -11.932 269 HD12 ILE 34 HD12 ILE 34 -0.156 -7.664 -11.121 270 HD13 ILE 34 HD13 ILE 34 0.811 -8.875 -10.263 271 H ARG 35 H ARG 35 -2.345 -7.122 -15.443 272 HA ARG 35 HA ARG 35 -4.456 -8.840 -16.590 273 HB2 ARG 35 HB2 ARG 35 -6.004 -6.946 -17.048 274 HB3 ARG 35 HB3 ARG 35 -5.908 -7.369 -15.367 275 HG2 ARG 35 HG2 ARG 35 -4.271 -5.084 -16.530 276 HG3 ARG 35 HG3 ARG 35 -5.948 -4.941 -15.958 277 HD2 ARG 35 HD2 ARG 35 -4.861 -6.237 -13.856 278 HD3 ARG 35 HD3 ARG 35 -3.446 -5.369 -14.399 279 HE ARG 35 HE ARG 35 -4.767 -3.254 -14.024 280 HH11 ARG 35 HH11 ARG 35 -6.593 -6.132 -13.011 281 HH12 ARG 35 HH12 ARG 35 -7.730 -5.090 -12.166 282 HH21 ARG 35 HH21 ARG 35 -6.356 -2.151 -12.893 283 HH22 ARG 35 HH22 ARG 35 -7.585 -3.123 -12.083 284 H THR 36 H THR 36 -5.228 -8.075 -18.778 285 HA THR 36 HA THR 36 -3.010 -6.767 -20.272 286 HB THR 36 HB THR 36 -3.214 -8.257 -22.101 287 HG1 THR 36 HG1 THR 36 -4.744 -9.913 -22.111 288 HG21 THR 36 HG21 THR 36 -2.031 -9.173 -19.939 289 HG22 THR 36 HG22 THR 36 -3.420 -10.259 -19.851 290 HG23 THR 36 HG23 THR 36 -2.378 -10.257 -21.294 291 H VAL 37 H VAL 37 -3.554 -5.912 -22.375 292 HA VAL 37 HA VAL 37 -6.334 -5.022 -22.894 293 HB VAL 37 HB VAL 37 -6.110 -2.959 -22.368 294 HG11 VAL 37 HG11 VAL 37 -4.906 -3.588 -20.381 295 HG12 VAL 37 HG12 VAL 37 -3.354 -3.375 -21.252 296 HG13 VAL 37 HG13 VAL 37 -4.445 -1.987 -20.994 297 HG21 VAL 37 HG21 VAL 37 -5.156 -2.304 -24.368 298 HG22 VAL 37 HG22 VAL 37 -4.262 -1.464 -23.083 299 HG23 VAL 37 HG23 VAL 37 -3.502 -2.834 -23.874 300 H THR 38 H THR 38 -6.773 -4.687 -24.996 301 HA THR 38 HA THR 38 -4.558 -5.069 -26.992 302 HB THR 38 HB THR 38 -5.792 -7.122 -26.743 303 HG1 THR 38 HG1 THR 38 -5.163 -6.697 -28.821 304 HG21 THR 38 HG21 THR 38 -7.931 -6.346 -25.908 305 HG22 THR 38 HG22 THR 38 -8.271 -5.499 -27.426 306 HG23 THR 38 HG23 THR 38 -8.182 -7.280 -27.393 307 H THR 39 H THR 39 -7.281 -3.181 -26.067 308 HA THR 39 HA THR 39 -6.813 -1.298 -28.338 309 HB THR 39 HB THR 39 -9.301 -0.904 -28.381 310 HG1 THR 39 HG1 THR 39 -9.362 -3.211 -26.781 311 HG21 THR 39 HG21 THR 39 -8.580 -3.751 -29.197 312 HG22 THR 39 HG22 THR 39 -9.915 -2.751 -29.809 313 HG23 THR 39 HG23 THR 39 -8.227 -2.296 -30.151 314 H LYS 40 H LYS 40 -7.943 0.775 -28.011 315 HA LYS 40 HA LYS 40 -6.983 2.077 -25.743 316 HB2 LYS 40 HB2 LYS 40 -8.319 4.004 -26.495 317 HB3 LYS 40 HB3 LYS 40 -7.466 3.194 -27.793 318 HG2 LYS 40 HG2 LYS 40 -9.431 3.620 -28.843 319 HG3 LYS 40 HG3 LYS 40 -9.725 1.991 -28.294 320 HD2 LYS 40 HD2 LYS 40 -11.710 3.352 -28.002 321 HD3 LYS 40 HD3 LYS 40 -11.120 2.864 -26.434 322 HE2 LYS 40 HE2 LYS 40 -11.812 5.139 -26.265 323 HE3 LYS 40 HE3 LYS 40 -10.059 5.131 -26.158 324 HZ1 LYS 40 HZ1 LYS 40 -11.622 5.793 -28.600 325 HZ2 LYS 40 HZ2 LYS 40 -10.864 6.868 -27.643 326 HZ3 LYS 40 HZ3 LYS 40 -9.991 5.799 -28.515 327 H GLU 41 H GLU 41 -10.013 0.411 -26.158 328 HA GLU 41 HA GLU 41 -11.326 1.609 -23.834 329 HB2 GLU 41 HB2 GLU 41 -13.089 -0.049 -24.247 330 HB3 GLU 41 HB3 GLU 41 -12.676 0.915 -25.687 331 HG2 GLU 41 HG2 GLU 41 -11.519 -0.842 -26.702 332 HG3 GLU 41 HG3 GLU 41 -11.576 -1.878 -25.265 333 H ASP 42 H ASP 42 -9.706 -1.506 -24.549 334 HA ASP 42 HA ASP 42 -10.031 -2.623 -21.936 335 HB2 ASP 42 HB2 ASP 42 -7.739 -2.939 -23.904 336 HB3 ASP 42 HB3 ASP 42 -8.074 -3.955 -22.531 337 H ALA 43 H ALA 43 -7.450 -0.574 -23.346 338 HA ALA 43 HA ALA 43 -5.892 -0.334 -20.957 339 HB1 ALA 43 HB1 ALA 43 -5.221 1.919 -22.011 340 HB2 ALA 43 HB2 ALA 43 -4.887 0.449 -22.915 341 HB3 ALA 43 HB3 ALA 43 -6.276 1.479 -23.376 342 H LYS 44 H LYS 44 -8.706 1.567 -22.082 343 HA LYS 44 HA LYS 44 -8.619 3.416 -19.888 344 HB2 LYS 44 HB2 LYS 44 -9.786 3.906 -21.971 345 HB3 LYS 44 HB3 LYS 44 -11.018 2.676 -21.625 346 HG2 LYS 44 HG2 LYS 44 -11.962 3.892 -19.885 347 HG3 LYS 44 HG3 LYS 44 -10.463 4.751 -19.508 348 HD2 LYS 44 HD2 LYS 44 -10.681 5.988 -21.686 349 HD3 LYS 44 HD3 LYS 44 -12.312 5.331 -21.854 350 HE2 LYS 44 HE2 LYS 44 -11.281 6.936 -19.463 351 HE3 LYS 44 HE3 LYS 44 -12.137 7.651 -20.823 352 HZ1 LYS 44 HZ1 LYS 44 -13.282 5.620 -18.990 353 HZ2 LYS 44 HZ2 LYS 44 -13.657 7.204 -19.010 354 HZ3 LYS 44 HZ3 LYS 44 -14.059 6.254 -20.278 355 H ARG 45 H ARG 45 -10.468 0.455 -20.326 356 HA ARG 45 HA ARG 45 -11.858 0.239 -17.860 357 HB2 ARG 45 HB2 ARG 45 -12.347 -1.008 -19.864 358 HB3 ARG 45 HB3 ARG 45 -10.726 -1.681 -19.927 359 HG2 ARG 45 HG2 ARG 45 -11.192 -3.082 -17.960 360 HG3 ARG 45 HG3 ARG 45 -12.857 -2.438 -17.907 361 HD2 ARG 45 HD2 ARG 45 -13.272 -3.261 -20.173 362 HD3 ARG 45 HD3 ARG 45 -11.593 -3.760 -20.359 363 HE ARG 45 HE ARG 45 -12.414 -5.162 -18.134 364 HH11 ARG 45 HH11 ARG 45 -13.588 -5.052 -21.453 365 HH12 ARG 45 HH12 ARG 45 -14.289 -6.648 -21.343 366 HH21 ARG 45 HH21 ARG 45 -13.336 -7.176 -18.077 367 HH22 ARG 45 HH22 ARG 45 -14.127 -7.822 -19.495 368 H VAL 46 H VAL 46 -8.679 -1.288 -18.712 369 HA VAL 46 HA VAL 46 -8.192 -2.356 -16.124 370 HB VAL 46 HB VAL 46 -6.528 -1.612 -18.570 371 HG11 VAL 46 HG11 VAL 46 -5.529 -2.707 -15.961 372 HG12 VAL 46 HG12 VAL 46 -4.688 -2.966 -17.521 373 HG13 VAL 46 HG13 VAL 46 -4.946 -1.323 -16.919 374 HG21 VAL 46 HG21 VAL 46 -7.982 -3.542 -18.867 375 HG22 VAL 46 HG22 VAL 46 -6.339 -4.154 -18.675 376 HG23 VAL 46 HG23 VAL 46 -7.494 -4.227 -17.318 377 H ALA 47 H ALA 47 -7.309 0.818 -17.518 378 HA ALA 47 HA ALA 47 -5.729 1.476 -15.196 379 HB1 ALA 47 HB1 ALA 47 -6.782 3.307 -17.378 380 HB2 ALA 47 HB2 ALA 47 -5.327 3.520 -16.342 381 HB3 ALA 47 HB3 ALA 47 -5.384 2.258 -17.590 382 H GLU 48 H GLU 48 -8.921 2.663 -16.415 383 HA GLU 48 HA GLU 48 -9.552 4.251 -14.163 384 HB2 GLU 48 HB2 GLU 48 -11.706 4.376 -14.945 385 HB3 GLU 48 HB3 GLU 48 -10.773 4.103 -16.387 386 HG2 GLU 48 HG2 GLU 48 -12.346 2.494 -16.808 387 HG3 GLU 48 HG3 GLU 48 -11.276 1.530 -15.788 388 H GLU 49 H GLU 49 -9.498 0.755 -14.513 389 HA GLU 49 HA GLU 49 -10.899 0.184 -12.011 390 HB2 GLU 49 HB2 GLU 49 -10.088 -1.561 -14.028 391 HB3 GLU 49 HB3 GLU 49 -8.803 -1.752 -12.895 392 HG2 GLU 49 HG2 GLU 49 -10.669 -2.007 -11.079 393 HG3 GLU 49 HG3 GLU 49 -11.759 -2.237 -12.444 394 H ALA 50 H ALA 50 -7.450 0.325 -12.960 395 HA ALA 50 HA ALA 50 -6.296 -0.182 -10.404 396 HB1 ALA 50 HB1 ALA 50 -5.340 1.442 -12.751 397 HB2 ALA 50 HB2 ALA 50 -4.336 0.978 -11.363 398 HB3 ALA 50 HB3 ALA 50 -5.000 -0.287 -12.439 399 H GLU 51 H GLU 51 -7.700 2.857 -11.669 400 HA GLU 51 HA GLU 51 -6.531 4.336 -9.411 401 HB2 GLU 51 HB2 GLU 51 -7.403 6.280 -10.233 402 HB3 GLU 51 HB3 GLU 51 -6.949 5.319 -11.661 403 HG2 GLU 51 HG2 GLU 51 -9.225 4.945 -12.224 404 HG3 GLU 51 HG3 GLU 51 -9.806 5.492 -10.651 405 H ARG 52 H ARG 52 -9.158 2.362 -9.736 406 HA ARG 52 HA ARG 52 -10.872 3.540 -7.623 407 HB2 ARG 52 HB2 ARG 52 -10.912 0.588 -8.321 408 HB3 ARG 52 HB3 ARG 52 -12.208 1.586 -7.695 409 HG2 ARG 52 HG2 ARG 52 -11.045 1.646 -10.478 410 HG3 ARG 52 HG3 ARG 52 -12.581 0.917 -10.006 411 HD2 ARG 52 HD2 ARG 52 -13.085 3.439 -9.190 412 HD3 ARG 52 HD3 ARG 52 -11.815 3.793 -10.382 413 HE ARG 52 HE ARG 52 -13.196 3.064 -12.135 414 HH11 ARG 52 HH11 ARG 52 -14.935 2.495 -9.124 415 HH12 ARG 52 HH12 ARG 52 -16.438 2.215 -9.987 416 HH21 ARG 52 HH21 ARG 52 -15.006 2.675 -13.079 417 HH22 ARG 52 HH22 ARG 52 -16.486 2.263 -12.214 418 H ARG 53 H ARG 53 -8.516 1.020 -7.838 419 HA ARG 53 HA ARG 53 -8.416 0.453 -4.918 420 HB2 ARG 53 HB2 ARG 53 -7.206 -1.586 -5.637 421 HB3 ARG 53 HB3 ARG 53 -8.752 -1.417 -6.444 422 HG2 ARG 53 HG2 ARG 53 -7.114 -0.132 -8.256 423 HG3 ARG 53 HG3 ARG 53 -5.944 -1.193 -7.542 424 HD2 ARG 53 HD2 ARG 53 -6.998 -2.139 -9.605 425 HD3 ARG 53 HD3 ARG 53 -7.106 -3.167 -8.161 426 HE ARG 53 HE ARG 53 -9.354 -1.474 -9.168 427 HH11 ARG 53 HH11 ARG 53 -8.310 -4.738 -8.197 428 HH12 ARG 53 HH12 ARG 53 -9.952 -5.270 -8.033 429 HH21 ARG 53 HH21 ARG 53 -11.422 -2.290 -8.850 430 HH22 ARG 53 HH22 ARG 53 -11.632 -3.961 -8.403 431 H ASN 54 H ASN 54 -6.724 2.259 -7.178 432 HA ASN 54 HA ASN 54 -5.038 3.768 -6.880 433 HB2 ASN 54 HB2 ASN 54 -5.772 3.016 -4.098 434 HB3 ASN 54 HB3 ASN 54 -4.300 3.957 -4.314 435 HD21 ASN 54 HD21 ASN 54 -7.843 4.008 -5.014 436 HD22 ASN 54 HD22 ASN 54 -7.919 5.755 -5.137 437 H ALA 55 H ALA 55 -4.118 2.000 -8.140 438 HA ALA 55 HA ALA 55 -2.033 0.329 -7.171 439 HB1 ALA 55 HB1 ALA 55 -2.424 1.544 -9.915 440 HB2 ALA 55 HB2 ALA 55 -1.417 0.135 -9.458 441 HB3 ALA 55 HB3 ALA 55 -3.210 0.097 -9.254 442 H ASP 56 H ASP 56 -0.675 1.506 -5.747 443 HA ASP 56 HA ASP 56 0.534 3.937 -6.121 444 HB2 ASP 56 HB2 ASP 56 0.757 1.891 -4.257 445 HB3 ASP 56 HB3 ASP 56 2.367 1.940 -4.919 446 H ILE 57 H ILE 57 1.628 0.841 -7.480 447 HA ILE 57 HA ILE 57 3.445 2.332 -9.332 448 HB ILE 57 HB ILE 57 4.278 -0.415 -8.461 449 HG12 ILE 57 HG12 ILE 57 4.730 2.040 -6.741 450 HG13 ILE 57 HG13 ILE 57 3.922 0.540 -6.285 451 HG21 ILE 57 HG21 ILE 57 6.488 0.373 -9.077 452 HG22 ILE 57 HG22 ILE 57 5.376 0.898 -10.341 453 HG23 ILE 57 HG23 ILE 57 5.940 2.051 -9.131 454 HD11 ILE 57 HD11 ILE 57 6.891 0.872 -6.820 455 HD12 ILE 57 HD12 ILE 57 6.093 0.596 -5.272 456 HD13 ILE 57 HD13 ILE 57 6.070 -0.685 -6.505 457 H VAL 58 H VAL 58 3.012 1.946 -11.382 458 HA VAL 58 HA VAL 58 1.523 -0.497 -12.228 459 HB VAL 58 HB VAL 58 0.732 1.274 -14.081 460 HG11 VAL 58 HG11 VAL 58 -0.476 0.851 -11.357 461 HG12 VAL 58 HG12 VAL 58 -1.315 1.607 -12.736 462 HG13 VAL 58 HG13 VAL 58 -0.787 -0.064 -12.872 463 HG21 VAL 58 HG21 VAL 58 1.992 3.135 -12.814 464 HG22 VAL 58 HG22 VAL 58 0.301 3.433 -13.207 465 HG23 VAL 58 HG23 VAL 58 0.803 2.976 -11.537 466 H VAL 59 H VAL 59 3.129 -1.691 -12.860 467 HA VAL 59 HA VAL 59 5.164 -0.842 -14.828 468 HB VAL 59 HB VAL 59 4.503 -3.546 -13.590 469 HG11 VAL 59 HG11 VAL 59 6.877 -2.699 -15.282 470 HG12 VAL 59 HG12 VAL 59 6.709 -4.260 -14.449 471 HG13 VAL 59 HG13 VAL 59 5.617 -3.856 -15.779 472 HG21 VAL 59 HG21 VAL 59 6.820 -1.643 -13.031 473 HG22 VAL 59 HG22 VAL 59 5.443 -1.909 -11.944 474 HG23 VAL 59 HG23 VAL 59 6.561 -3.227 -12.282 475 H ILE 60 H ILE 60 4.233 -0.367 -16.780 476 HA ILE 60 HA ILE 60 2.193 -2.136 -17.960 477 HB ILE 60 HB ILE 60 3.726 0.074 -19.305 478 HG12 ILE 60 HG12 ILE 60 2.703 1.071 -17.209 479 HG13 ILE 60 HG13 ILE 60 2.234 1.799 -18.718 480 HG21 ILE 60 HG21 ILE 60 1.589 0.274 -20.637 481 HG22 ILE 60 HG22 ILE 60 2.505 -1.226 -20.865 482 HG23 ILE 60 HG23 ILE 60 1.045 -1.229 -19.862 483 HD11 ILE 60 HD11 ILE 60 0.596 -0.135 -17.042 484 HD12 ILE 60 HD12 ILE 60 0.347 1.621 -17.236 485 HD13 ILE 60 HD13 ILE 60 0.079 0.550 -18.612 486 H VAL 61 H VAL 61 2.717 -3.654 -19.542 487 HA VAL 61 HA VAL 61 5.551 -4.001 -20.427 488 HB VAL 61 HB VAL 61 3.417 -6.121 -20.213 489 HG11 VAL 61 HG11 VAL 61 6.406 -6.338 -20.682 490 HG12 VAL 61 HG12 VAL 61 5.283 -7.695 -20.486 491 HG13 VAL 61 HG13 VAL 61 5.137 -6.632 -21.892 492 HG21 VAL 61 HG21 VAL 61 5.773 -5.672 -18.328 493 HG22 VAL 61 HG22 VAL 61 4.067 -5.364 -17.919 494 HG23 VAL 61 HG23 VAL 61 4.613 -7.009 -18.271 495 H GLY 62 H GLY 62 5.857 -3.959 -22.629 496 HA2 GLY 62 HA2 GLY 62 3.619 -4.424 -24.490 497 HA3 GLY 62 HA3 GLY 62 4.260 -2.782 -24.460 498 HA PRO 63 HA PRO 63 6.701 -5.617 -27.353 499 HB2 PRO 63 HB2 PRO 63 6.040 -4.192 -29.712 500 HB3 PRO 63 HB3 PRO 63 5.394 -5.768 -29.176 501 HG2 PRO 63 HG2 PRO 63 4.182 -3.052 -29.045 502 HG3 PRO 63 HG3 PRO 63 3.369 -4.637 -29.115 503 HD2 PRO 63 HD2 PRO 63 3.628 -3.026 -26.843 504 HD3 PRO 63 HD3 PRO 63 3.323 -4.789 -26.813 505 H SER 64 H SER 64 6.453 -2.358 -28.733 506 HA SER 64 HA SER 64 8.563 -0.877 -27.781 507 HB2 SER 64 HB2 SER 64 10.095 -2.792 -28.358 508 HB3 SER 64 HB3 SER 64 9.573 -2.655 -30.048 509 HG SER 64 HG SER 64 11.561 -1.580 -29.284 510 H GLY 65 H GLY 65 9.135 0.913 -29.253 511 HA2 GLY 65 HA2 GLY 65 8.706 2.487 -30.890 512 HA3 GLY 65 HA3 GLY 65 8.159 1.163 -31.914 513 H SER 66 H SER 66 6.575 2.492 -32.828 514 HA SER 66 HA SER 66 4.202 3.201 -31.136 515 HB2 SER 66 HB2 SER 66 5.598 5.119 -31.933 516 HB3 SER 66 HB3 SER 66 5.210 4.664 -33.597 517 HG SER 66 HG SER 66 3.798 6.268 -32.710 518 H GLY 67 H GLY 67 2.330 3.739 -32.955 519 HA2 GLY 67 HA2 GLY 67 0.912 2.988 -34.615 520 HA3 GLY 67 HA3 GLY 67 2.161 1.870 -35.153 521 H LYS 68 H LYS 68 2.363 0.396 -32.675 522 HA LYS 68 HA LYS 68 -0.340 -0.871 -32.370 523 HB2 LYS 68 HB2 LYS 68 0.533 -2.973 -32.452 524 HB3 LYS 68 HB3 LYS 68 1.556 -2.163 -33.622 525 HG2 LYS 68 HG2 LYS 68 2.248 -2.849 -30.732 526 HG3 LYS 68 HG3 LYS 68 2.790 -3.712 -32.153 527 HD2 LYS 68 HD2 LYS 68 3.573 -0.823 -31.532 528 HD3 LYS 68 HD3 LYS 68 4.509 -2.245 -31.085 529 HE2 LYS 68 HE2 LYS 68 4.715 -2.924 -33.420 530 HE3 LYS 68 HE3 LYS 68 3.782 -1.505 -33.931 531 HZ1 LYS 68 HZ1 LYS 68 5.481 -0.093 -33.200 532 HZ2 LYS 68 HZ2 LYS 68 6.268 -1.240 -32.348 533 HZ3 LYS 68 HZ3 LYS 68 6.289 -1.273 -33.992 534 H SER 69 H SER 69 2.165 0.659 -30.665 535 HA SER 69 HA SER 69 1.707 -0.706 -28.089 536 HB2 SER 69 HB2 SER 69 3.654 1.438 -29.014 537 HB3 SER 69 HB3 SER 69 3.649 0.707 -27.381 538 HG SER 69 HG SER 69 5.080 -0.162 -29.108 539 H THR 70 H THR 70 0.154 1.853 -29.576 540 HA THR 70 HA THR 70 0.133 3.972 -27.836 541 HB THR 70 HB THR 70 -2.541 3.146 -28.876 542 HG1 THR 70 HG1 THR 70 -1.882 3.755 -30.962 543 HG21 THR 70 HG21 THR 70 -0.958 5.743 -29.087 544 HG22 THR 70 HG22 THR 70 -2.660 5.508 -29.535 545 HG23 THR 70 HG23 THR 70 -2.174 5.384 -27.840 546 H LEU 71 H LEU 71 -1.796 0.978 -27.418 547 HA LEU 71 HA LEU 71 -3.440 1.814 -25.321 548 HB2 LEU 71 HB2 LEU 71 -2.265 -0.967 -25.586 549 HB3 LEU 71 HB3 LEU 71 -3.805 -0.458 -24.902 550 HG LEU 71 HG LEU 71 -4.561 -1.370 -26.782 551 HD11 LEU 71 HD11 LEU 71 -3.952 1.353 -28.019 552 HD12 LEU 71 HD12 LEU 71 -5.274 0.263 -28.401 553 HD13 LEU 71 HD13 LEU 71 -5.212 1.073 -26.811 554 HD21 LEU 71 HD21 LEU 71 -2.236 -0.355 -28.470 555 HD22 LEU 71 HD22 LEU 71 -2.362 -1.969 -27.739 556 HD23 LEU 71 HD23 LEU 71 -3.530 -1.459 -28.957 557 H ALA 72 H ALA 72 -0.046 0.886 -25.145 558 HA ALA 72 HA ALA 72 0.144 0.657 -22.290 559 HB1 ALA 72 HB1 ALA 72 2.297 1.356 -24.362 560 HB2 ALA 72 HB2 ALA 72 2.586 0.852 -22.696 561 HB3 ALA 72 HB3 ALA 72 1.856 -0.283 -23.835 562 H LYS 73 H LYS 73 0.818 3.421 -24.530 563 HA LYS 73 HA LYS 73 1.262 5.254 -22.339 564 HB2 LYS 73 HB2 LYS 73 1.186 7.078 -23.895 565 HB3 LYS 73 HB3 LYS 73 2.233 5.800 -24.481 566 HG2 LYS 73 HG2 LYS 73 0.915 5.323 -26.289 567 HG3 LYS 73 HG3 LYS 73 -0.599 5.778 -25.474 568 HD2 LYS 73 HD2 LYS 73 1.345 7.915 -26.288 569 HD3 LYS 73 HD3 LYS 73 0.162 7.220 -27.410 570 HE2 LYS 73 HE2 LYS 73 -1.678 7.704 -25.825 571 HE3 LYS 73 HE3 LYS 73 -0.545 8.402 -24.683 572 HZ1 LYS 73 HZ1 LYS 73 -1.609 10.136 -26.042 573 HZ2 LYS 73 HZ2 LYS 73 -0.011 10.099 -26.382 574 HZ3 LYS 73 HZ3 LYS 73 -1.087 9.449 -27.416 575 H ILE 74 H ILE 74 -1.709 4.257 -23.991 576 HA ILE 74 HA ILE 74 -3.363 6.327 -22.939 577 HB ILE 74 HB ILE 74 -4.036 3.482 -23.775 578 HG12 ILE 74 HG12 ILE 74 -4.652 6.142 -25.132 579 HG13 ILE 74 HG13 ILE 74 -3.221 5.214 -25.501 580 HG21 ILE 74 HG21 ILE 74 -5.989 5.727 -23.063 581 HG22 ILE 74 HG22 ILE 74 -6.424 4.168 -23.769 582 HG23 ILE 74 HG23 ILE 74 -5.774 4.221 -22.144 583 HD11 ILE 74 HD11 ILE 74 -4.841 4.712 -27.190 584 HD12 ILE 74 HD12 ILE 74 -4.745 3.260 -26.170 585 HD13 ILE 74 HD13 ILE 74 -6.102 4.391 -25.999 586 H VAL 75 H VAL 75 -2.714 2.979 -21.607 587 HA VAL 75 HA VAL 75 -4.036 3.400 -19.131 588 HB VAL 75 HB VAL 75 -1.573 1.723 -19.765 589 HG11 VAL 75 HG11 VAL 75 -3.484 1.413 -17.377 590 HG12 VAL 75 HG12 VAL 75 -2.094 0.403 -17.773 591 HG13 VAL 75 HG13 VAL 75 -1.854 2.082 -17.263 592 HG21 VAL 75 HG21 VAL 75 -3.057 -0.196 -19.831 593 HG22 VAL 75 HG22 VAL 75 -4.471 0.861 -19.577 594 HG23 VAL 75 HG23 VAL 75 -3.466 0.976 -21.061 595 H LYS 76 H LYS 76 -0.569 3.989 -19.951 596 HA LYS 76 HA LYS 76 0.165 5.059 -17.427 597 HB2 LYS 76 HB2 LYS 76 1.833 4.425 -18.996 598 HB3 LYS 76 HB3 LYS 76 1.251 5.560 -20.215 599 HG2 LYS 76 HG2 LYS 76 2.218 7.400 -19.225 600 HG3 LYS 76 HG3 LYS 76 2.110 6.746 -17.595 601 HD2 LYS 76 HD2 LYS 76 4.453 7.004 -18.497 602 HD3 LYS 76 HD3 LYS 76 4.042 5.443 -17.812 603 HE2 LYS 76 HE2 LYS 76 5.328 5.006 -19.738 604 HE3 LYS 76 HE3 LYS 76 3.688 4.491 -20.038 605 HZ1 LYS 76 HZ1 LYS 76 4.422 5.601 -21.920 606 HZ2 LYS 76 HZ2 LYS 76 3.400 6.680 -21.248 607 HZ3 LYS 76 HZ3 LYS 76 5.027 6.902 -21.126 608 H LYS 77 H LYS 77 -1.432 6.745 -20.082 609 HA LYS 77 HA LYS 77 -1.257 9.358 -18.782 610 HB2 LYS 77 HB2 LYS 77 -2.936 8.275 -21.074 611 HB3 LYS 77 HB3 LYS 77 -3.217 9.882 -20.430 612 HG2 LYS 77 HG2 LYS 77 -0.501 8.970 -21.465 613 HG3 LYS 77 HG3 LYS 77 -1.718 9.760 -22.464 614 HD2 LYS 77 HD2 LYS 77 -1.667 11.746 -20.961 615 HD3 LYS 77 HD3 LYS 77 -0.400 10.974 -19.988 616 HE2 LYS 77 HE2 LYS 77 1.060 10.868 -21.997 617 HE3 LYS 77 HE3 LYS 77 -0.207 11.652 -22.942 618 HZ1 LYS 77 HZ1 LYS 77 1.188 12.858 -20.607 619 HZ2 LYS 77 HZ2 LYS 77 1.428 13.269 -22.165 620 HZ3 LYS 77 HZ3 LYS 77 -0.002 13.589 -21.459 621 H ILE 78 H ILE 78 -3.722 6.773 -18.741 622 HA ILE 78 HA ILE 78 -5.557 8.285 -17.085 623 HB ILE 78 HB ILE 78 -5.286 5.311 -17.429 624 HG12 ILE 78 HG12 ILE 78 -6.424 7.410 -19.121 625 HG13 ILE 78 HG13 ILE 78 -5.984 5.742 -19.450 626 HG21 ILE 78 HG21 ILE 78 -7.480 6.974 -16.099 627 HG22 ILE 78 HG22 ILE 78 -7.619 5.238 -16.465 628 HG23 ILE 78 HG23 ILE 78 -6.426 5.773 -15.311 629 HD11 ILE 78 HD11 ILE 78 -8.628 6.712 -18.324 630 HD12 ILE 78 HD12 ILE 78 -8.320 6.083 -19.950 631 HD13 ILE 78 HD13 ILE 78 -8.184 4.999 -18.546 632 H ILE 79 H ILE 79 -2.801 6.121 -16.174 633 HA ILE 79 HA ILE 79 -3.516 6.514 -13.337 634 HB ILE 79 HB ILE 79 -1.197 4.929 -14.439 635 HG12 ILE 79 HG12 ILE 79 -3.252 3.970 -15.340 636 HG13 ILE 79 HG13 ILE 79 -2.582 2.940 -14.096 637 HG21 ILE 79 HG21 ILE 79 -2.492 5.273 -11.699 638 HG22 ILE 79 HG22 ILE 79 -1.664 3.775 -12.101 639 HG23 ILE 79 HG23 ILE 79 -0.775 5.307 -12.172 640 HD11 ILE 79 HD11 ILE 79 -5.015 3.109 -13.963 641 HD12 ILE 79 HD12 ILE 79 -4.295 3.733 -12.469 642 HD13 ILE 79 HD13 ILE 79 -4.949 4.845 -13.691 643 H ALA 80 H ALA 80 -1.157 7.925 -15.555 644 HA ALA 80 HA ALA 80 0.572 8.997 -13.701 645 HB1 ALA 80 HB1 ALA 80 -0.444 10.226 -16.292 646 HB2 ALA 80 HB2 ALA 80 0.968 10.806 -15.397 647 HB3 ALA 80 HB3 ALA 80 0.985 9.171 -16.073 648 H ARG 81 H ARG 81 -2.640 10.156 -14.696 649 HA ARG 81 HA ARG 81 -2.660 12.548 -12.979 650 HB2 ARG 81 HB2 ARG 81 -4.955 12.870 -13.856 651 HB3 ARG 81 HB3 ARG 81 -3.778 12.640 -15.141 652 HG2 ARG 81 HG2 ARG 81 -5.401 11.259 -15.947 653 HG3 ARG 81 HG3 ARG 81 -4.474 10.123 -14.973 654 HD2 ARG 81 HD2 ARG 81 -6.739 9.624 -14.650 655 HD3 ARG 81 HD3 ARG 81 -6.158 10.321 -13.144 656 HE ARG 81 HE ARG 81 -7.257 12.463 -14.568 657 HH11 ARG 81 HH11 ARG 81 -8.561 9.377 -13.345 658 HH12 ARG 81 HH12 ARG 81 -10.138 10.045 -13.170 659 HH21 ARG 81 HH21 ARG 81 -9.359 13.180 -14.346 660 HH22 ARG 81 HH22 ARG 81 -10.595 12.095 -13.760 661 H ALA 82 H ALA 82 -3.674 9.195 -12.755 662 HA ALA 82 HA ALA 82 -5.627 9.489 -10.716 663 HB1 ALA 82 HB1 ALA 82 -3.754 7.144 -11.228 664 HB2 ALA 82 HB2 ALA 82 -5.262 7.087 -10.330 665 HB3 ALA 82 HB3 ALA 82 -5.306 7.428 -12.081 666 H GLY 83 H GLY 83 -2.176 9.529 -10.618 667 HA2 GLY 83 HA2 GLY 83 -1.234 10.861 -8.749 668 HA3 GLY 83 HA3 GLY 83 -2.250 9.925 -7.646 669 H ALA 84 H ALA 84 -0.595 8.163 -10.185 670 HA ALA 84 HA ALA 84 1.390 7.096 -8.210 671 HB1 ALA 84 HB1 ALA 84 -0.418 5.552 -8.334 672 HB2 ALA 84 HB2 ALA 84 -0.509 5.701 -10.102 673 HB3 ALA 84 HB3 ALA 84 0.875 4.887 -9.383 674 H LYS 85 H LYS 85 2.954 5.578 -9.404 675 HA LYS 85 HA LYS 85 4.073 7.040 -11.742 676 HB2 LYS 85 HB2 LYS 85 6.254 6.196 -11.070 677 HB3 LYS 85 HB3 LYS 85 5.477 7.120 -9.769 678 HG2 LYS 85 HG2 LYS 85 4.749 4.964 -8.729 679 HG3 LYS 85 HG3 LYS 85 5.512 4.082 -10.013 680 HD2 LYS 85 HD2 LYS 85 6.917 4.028 -8.089 681 HD3 LYS 85 HD3 LYS 85 7.754 4.973 -9.310 682 HE2 LYS 85 HE2 LYS 85 6.143 6.321 -7.099 683 HE3 LYS 85 HE3 LYS 85 7.744 5.677 -6.789 684 HZ1 LYS 85 HZ1 LYS 85 7.101 7.908 -8.599 685 HZ2 LYS 85 HZ2 LYS 85 8.105 7.853 -7.311 686 HZ3 LYS 85 HZ3 LYS 85 8.540 7.114 -8.674 687 H THR 86 H THR 86 4.107 6.187 -13.532 688 HA THR 86 HA THR 86 3.670 3.272 -13.957 689 HB THR 86 HB THR 86 2.897 5.345 -16.024 690 HG1 THR 86 HG1 THR 86 1.190 6.095 -15.017 691 HG21 THR 86 HG21 THR 86 0.669 3.867 -15.818 692 HG22 THR 86 HG22 THR 86 2.052 3.484 -16.872 693 HG23 THR 86 HG23 THR 86 1.867 2.676 -15.309 694 H ILE 87 H ILE 87 4.766 2.145 -15.412 695 HA ILE 87 HA ILE 87 6.819 3.564 -17.071 696 HB ILE 87 HB ILE 87 8.459 1.776 -16.386 697 HG12 ILE 87 HG12 ILE 87 6.880 0.234 -15.340 698 HG13 ILE 87 HG13 ILE 87 8.353 0.579 -14.423 699 HG21 ILE 87 HG21 ILE 87 7.650 3.890 -14.391 700 HG22 ILE 87 HG22 ILE 87 9.190 2.978 -14.384 701 HG23 ILE 87 HG23 ILE 87 8.774 4.047 -15.744 702 HD11 ILE 87 HD11 ILE 87 6.942 0.735 -12.676 703 HD12 ILE 87 HD12 ILE 87 6.517 2.359 -13.324 704 HD13 ILE 87 HD13 ILE 87 5.538 0.954 -13.732 705 H GLU 88 H GLU 88 7.903 2.110 -18.575 706 HA GLU 88 HA GLU 88 6.022 0.055 -19.694 707 HB2 GLU 88 HB2 GLU 88 7.343 2.371 -21.145 708 HB3 GLU 88 HB3 GLU 88 6.859 0.895 -21.976 709 HG2 GLU 88 HG2 GLU 88 4.527 1.199 -21.234 710 HG3 GLU 88 HG3 GLU 88 4.977 2.698 -20.420 711 H VAL 89 H VAL 89 7.138 -1.681 -19.016 712 HA VAL 89 HA VAL 89 10.021 -1.943 -19.593 713 HB VAL 89 HB VAL 89 10.167 -3.633 -18.060 714 HG11 VAL 89 HG11 VAL 89 9.842 -1.420 -17.021 715 HG12 VAL 89 HG12 VAL 89 8.080 -1.674 -16.972 716 HG13 VAL 89 HG13 VAL 89 9.143 -2.669 -15.992 717 HG21 VAL 89 HG21 VAL 89 8.304 -5.133 -18.467 718 HG22 VAL 89 HG22 VAL 89 8.263 -4.630 -16.786 719 HG23 VAL 89 HG23 VAL 89 7.141 -3.883 -17.942 720 H THR 90 H THR 90 10.139 -2.140 -21.774 721 HA THR 90 HA THR 90 8.341 -3.709 -23.358 722 HB THR 90 HB THR 90 10.248 -3.361 -25.124 723 HG1 THR 90 HG1 THR 90 11.567 -1.597 -24.552 724 HG21 THR 90 HG21 THR 90 9.509 -1.028 -25.501 725 HG22 THR 90 HG22 THR 90 8.148 -2.097 -25.133 726 HG23 THR 90 HG23 THR 90 8.773 -1.001 -23.881 727 H THR 91 H THR 91 8.934 -5.427 -24.811 728 HA THR 91 HA THR 91 10.289 -7.660 -23.535 729 HB THR 91 HB THR 91 9.656 -8.906 -25.607 730 HG1 THR 91 HG1 THR 91 8.390 -7.858 -27.101 731 HG21 THR 91 HG21 THR 91 7.359 -7.295 -24.423 732 HG22 THR 91 HG22 THR 91 7.260 -8.880 -25.220 733 HG23 THR 91 HG23 THR 91 8.100 -8.724 -23.673 734 H GLU 92 H GLU 92 12.090 -5.466 -24.073 735 HA GLU 92 HA GLU 92 14.187 -6.761 -25.725 736 HB2 GLU 92 HB2 GLU 92 13.326 -3.856 -26.053 737 HB3 GLU 92 HB3 GLU 92 14.764 -4.592 -26.758 738 HG2 GLU 92 HG2 GLU 92 13.192 -6.268 -27.894 739 HG3 GLU 92 HG3 GLU 92 11.875 -5.189 -27.443 740 H GLU 93 H GLU 93 16.324 -5.245 -25.395 741 HA GLU 93 HA GLU 93 17.038 -5.828 -22.763 742 HB2 GLU 93 HB2 GLU 93 19.174 -4.899 -23.239 743 HB3 GLU 93 HB3 GLU 93 18.611 -5.798 -24.620 744 HG2 GLU 93 HG2 GLU 93 18.517 -2.755 -24.362 745 HG3 GLU 93 HG3 GLU 93 19.812 -3.649 -25.132 746 H GLU 94 H GLU 94 15.446 -2.925 -23.684 747 HA GLU 94 HA GLU 94 16.412 -1.260 -21.492 748 HB2 GLU 94 HB2 GLU 94 13.961 -0.977 -23.273 749 HB3 GLU 94 HB3 GLU 94 14.567 0.239 -22.142 750 HG2 GLU 94 HG2 GLU 94 16.770 0.197 -23.391 751 HG3 GLU 94 HG3 GLU 94 15.996 -0.796 -24.622 752 H LEU 95 H LEU 95 14.355 -3.952 -21.441 753 HA LEU 95 HA LEU 95 12.255 -3.395 -19.788 754 HB2 LEU 95 HB2 LEU 95 12.978 -5.553 -20.877 755 HB3 LEU 95 HB3 LEU 95 14.046 -5.852 -19.523 756 HG LEU 95 HG LEU 95 11.017 -5.490 -19.303 757 HD11 LEU 95 HD11 LEU 95 12.661 -8.057 -19.447 758 HD12 LEU 95 HD12 LEU 95 10.911 -7.954 -19.135 759 HD13 LEU 95 HD13 LEU 95 11.555 -7.443 -20.698 760 HD21 LEU 95 HD21 LEU 95 13.074 -6.628 -17.352 761 HD22 LEU 95 HD22 LEU 95 12.079 -5.170 -17.125 762 HD23 LEU 95 HD23 LEU 95 11.309 -6.753 -17.157 763 H ARG 96 H ARG 96 15.503 -4.316 -18.447 764 HA ARG 96 HA ARG 96 14.744 -3.779 -15.723 765 HB2 ARG 96 HB2 ARG 96 17.442 -4.147 -17.070 766 HB3 ARG 96 HB3 ARG 96 17.301 -3.701 -15.370 767 HG2 ARG 96 HG2 ARG 96 15.848 -5.691 -14.964 768 HG3 ARG 96 HG3 ARG 96 16.136 -6.216 -16.631 769 HD2 ARG 96 HD2 ARG 96 18.546 -6.408 -16.173 770 HD3 ARG 96 HD3 ARG 96 18.323 -5.719 -14.571 771 HE ARG 96 HE ARG 96 17.233 -7.685 -13.803 772 HH11 ARG 96 HH11 ARG 96 18.521 -8.201 -17.031 773 HH12 ARG 96 HH12 ARG 96 18.479 -9.943 -16.851 774 HH21 ARG 96 HH21 ARG 96 17.191 -9.887 -13.668 775 HH22 ARG 96 HH22 ARG 96 17.733 -10.857 -15.014 776 H LYS 97 H LYS 97 16.199 -1.615 -18.127 777 HA LYS 97 HA LYS 97 16.759 0.581 -16.356 778 HB2 LYS 97 HB2 LYS 97 17.645 0.382 -18.669 779 HB3 LYS 97 HB3 LYS 97 16.014 0.630 -19.307 780 HG2 LYS 97 HG2 LYS 97 15.954 2.893 -18.242 781 HG3 LYS 97 HG3 LYS 97 17.557 2.610 -17.557 782 HD2 LYS 97 HD2 LYS 97 17.739 4.008 -19.532 783 HD3 LYS 97 HD3 LYS 97 18.497 2.441 -19.857 784 HE2 LYS 97 HE2 LYS 97 16.464 1.683 -21.047 785 HE3 LYS 97 HE3 LYS 97 15.638 3.185 -20.637 786 HZ1 LYS 97 HZ1 LYS 97 16.579 3.167 -22.894 787 HZ2 LYS 97 HZ2 LYS 97 17.194 4.389 -22.006 788 HZ3 LYS 97 HZ3 LYS 97 18.082 3.044 -22.300 789 H ALA 98 H ALA 98 13.841 -0.199 -18.289 790 HA ALA 98 HA ALA 98 12.251 1.986 -17.345 791 HB1 ALA 98 HB1 ALA 98 11.492 -0.769 -18.347 792 HB2 ALA 98 HB2 ALA 98 10.376 0.589 -18.147 793 HB3 ALA 98 HB3 ALA 98 11.693 0.689 -19.354 794 H VAL 99 H VAL 99 12.535 -1.403 -16.104 795 HA VAL 99 HA VAL 99 10.603 -1.145 -14.078 796 HB VAL 99 HB VAL 99 13.168 -2.801 -14.149 797 HG11 VAL 99 HG11 VAL 99 12.199 -4.205 -12.345 798 HG12 VAL 99 HG12 VAL 99 12.577 -2.579 -11.785 799 HG13 VAL 99 HG13 VAL 99 10.888 -3.014 -12.141 800 HG21 VAL 99 HG21 VAL 99 11.329 -3.408 -15.787 801 HG22 VAL 99 HG22 VAL 99 11.743 -4.693 -14.644 802 HG23 VAL 99 HG23 VAL 99 10.275 -3.734 -14.391 803 H ALA 100 H ALA 100 14.123 -0.514 -13.939 804 HA ALA 100 HA ALA 100 14.312 0.306 -11.268 805 HB1 ALA 100 HB1 ALA 100 15.946 1.233 -13.666 806 HB2 ALA 100 HB2 ALA 100 16.418 1.373 -11.956 807 HB3 ALA 100 HB3 ALA 100 16.238 -0.226 -12.696 808 H LYS 101 H LYS 101 13.353 2.191 -14.112 809 HA LYS 101 HA LYS 101 13.403 4.784 -13.049 810 HB2 LYS 101 HB2 LYS 101 13.086 3.834 -15.491 811 HB3 LYS 101 HB3 LYS 101 11.376 3.866 -15.115 812 HG2 LYS 101 HG2 LYS 101 11.918 5.847 -16.325 813 HG3 LYS 101 HG3 LYS 101 11.569 6.351 -14.675 814 HD2 LYS 101 HD2 LYS 101 13.997 6.542 -14.200 815 HD3 LYS 101 HD3 LYS 101 14.372 5.917 -15.817 816 HE2 LYS 101 HE2 LYS 101 13.188 7.862 -16.822 817 HE3 LYS 101 HE3 LYS 101 12.819 8.473 -15.215 818 HZ1 LYS 101 HZ1 LYS 101 15.565 8.137 -16.312 819 HZ2 LYS 101 HZ2 LYS 101 14.791 9.554 -16.134 820 HZ3 LYS 101 HZ3 LYS 101 15.218 8.705 -14.819 821 H ALA 102 H ALA 102 11.065 2.336 -12.243 822 HA ALA 102 HA ALA 102 9.789 4.357 -10.426 823 HB1 ALA 102 HB1 ALA 102 8.248 4.126 -12.227 824 HB2 ALA 102 HB2 ALA 102 8.475 2.341 -12.195 825 HB3 ALA 102 HB3 ALA 102 7.624 3.150 -10.863 826 H ARG 103 H ARG 103 9.854 0.761 -11.075 827 HA ARG 103 HA ARG 103 9.170 0.015 -8.372 828 HB2 ARG 103 HB2 ARG 103 9.369 -1.283 -10.739 829 HB3 ARG 103 HB3 ARG 103 10.874 -1.811 -9.999 830 HG2 ARG 103 HG2 ARG 103 8.292 -1.926 -8.374 831 HG3 ARG 103 HG3 ARG 103 8.508 -3.058 -9.693 832 HD2 ARG 103 HD2 ARG 103 9.140 -4.078 -7.638 833 HD3 ARG 103 HD3 ARG 103 10.541 -3.935 -8.732 834 HE ARG 103 HE ARG 103 10.545 -1.726 -6.931 835 HH11 ARG 103 HH11 ARG 103 11.100 -5.175 -6.750 836 HH12 ARG 103 HH12 ARG 103 12.342 -4.989 -5.532 837 HH21 ARG 103 HH21 ARG 103 12.131 -1.548 -5.414 838 HH22 ARG 103 HH22 ARG 103 12.868 -2.984 -4.771 839 H GLY 104 H GLY 104 12.184 0.840 -9.921 840 HA2 GLY 104 HA2 GLY 104 13.887 0.229 -7.568 841 HA3 GLY 104 HA3 GLY 104 14.383 1.188 -8.971 842 H SER 105 H SER 105 12.808 3.263 -9.181 843 HA SER 105 HA SER 105 13.797 5.067 -7.331 844 HB2 SER 105 HB2 SER 105 11.239 5.355 -8.937 845 HB3 SER 105 HB3 SER 105 12.151 6.667 -8.173 846 HG SER 105 HG SER 105 13.880 6.218 -9.538 847 H TRP 106 H TRP 106 10.535 3.555 -7.213 848 HA TRP 106 HA TRP 106 9.446 4.917 -5.050 849 HB2 TRP 106 HB2 TRP 106 8.435 3.205 -6.671 850 HB3 TRP 106 HB3 TRP 106 9.036 1.954 -5.627 851 HD1 TRP 106 HD1 TRP 106 6.123 4.132 -6.171 852 HE1 TRP 106 HE1 TRP 106 4.495 4.118 -4.287 853 HE3 TRP 106 HE3 TRP 106 8.919 1.541 -2.728 854 HZ2 TRP 106 HZ2 TRP 106 4.452 3.324 -1.472 855 HZ3 TRP 106 HZ3 TRP 106 8.040 1.156 -0.461 856 HH2 TRP 106 HH2 TRP 106 5.814 2.072 0.200 857 H SER 107 H SER 107 11.396 1.898 -4.898 858 HA SER 107 HA SER 107 11.326 1.782 -1.984 859 HB2 SER 107 HB2 SER 107 13.057 -0.033 -2.397 860 HB3 SER 107 HB3 SER 107 11.441 -0.262 -3.082 861 HG SER 107 HG SER 107 13.650 0.705 -4.568 862 H LEU 108 H LEU 108 13.075 3.590 -4.204 863 HA LEU 108 HA LEU 108 15.331 4.158 -2.393 864 HB2 LEU 108 HB2 LEU 108 14.751 4.386 -5.282 865 HB3 LEU 108 HB3 LEU 108 15.381 5.881 -4.637 866 HG LEU 108 HG LEU 108 17.394 4.715 -3.822 867 HD11 LEU 108 HD11 LEU 108 17.803 2.334 -4.453 868 HD12 LEU 108 HD12 LEU 108 16.489 2.473 -3.280 869 HD13 LEU 108 HD13 LEU 108 16.109 2.199 -4.993 870 HD21 LEU 108 HD21 LEU 108 17.280 5.554 -6.139 871 HD22 LEU 108 HD22 LEU 108 18.297 4.101 -6.037 872 HD23 LEU 108 HD23 LEU 108 16.639 3.984 -6.678 873 H GLU 109 H GLU 109 12.285 5.611 -3.404 874 HA GLU 109 HA GLU 109 12.735 8.168 -2.076 875 HB2 GLU 109 HB2 GLU 109 10.017 6.968 -2.640 876 HB3 GLU 109 HB3 GLU 109 10.465 8.660 -2.505 877 HG2 GLU 109 HG2 GLU 109 11.962 7.980 -4.677 878 HG3 GLU 109 HG3 GLU 109 10.704 6.763 -4.790 879 H HIS 110 H HIS 110 10.932 5.192 -1.274 880 HA HIS 110 HA HIS 110 10.299 6.070 1.458 881 HB2 HIS 110 HB2 HIS 110 9.709 3.541 -0.116 882 HB3 HIS 110 HB3 HIS 110 9.269 3.758 1.578 883 HD2 HIS 110 HD2 HIS 110 8.340 5.129 -1.911 884 HE1 HIS 110 HE1 HIS 110 5.398 6.538 0.827 885 HE2 HIS 110 HE2 HIS 110 6.051 6.400 -1.624 886 H HIS 111 H HIS 111 12.948 6.187 0.997 887 HA HIS 111 HA HIS 111 14.049 4.409 3.079 888 HB2 HIS 111 HB2 HIS 111 14.458 3.635 0.557 889 HB3 HIS 111 HB3 HIS 111 15.749 4.830 0.626 890 HD2 HIS 111 HD2 HIS 111 14.822 1.329 1.624 891 HE1 HIS 111 HE1 HIS 111 18.375 2.118 3.839 892 HE2 HIS 111 HE2 HIS 111 16.727 0.313 3.120 893 H HIS 112 H HIS 112 16.126 5.313 3.986 894 HA HIS 112 HA HIS 112 16.442 8.232 3.620 895 HB2 HIS 112 HB2 HIS 112 14.350 7.568 5.107 896 HB3 HIS 112 HB3 HIS 112 15.553 7.363 6.362 897 HD2 HIS 112 HD2 HIS 112 13.962 9.995 4.043 898 HE1 HIS 112 HE1 HIS 112 16.227 12.192 6.906 899 HE2 HIS 112 HE2 HIS 112 14.571 12.382 4.989 900 H HIS 113 H HIS 113 17.435 8.482 6.398 901 HA HIS 113 HA HIS 113 20.071 8.787 5.903 902 HB2 HIS 113 HB2 HIS 113 20.284 9.305 8.231 903 HB3 HIS 113 HB3 HIS 113 18.691 9.808 7.708 904 HD2 HIS 113 HD2 HIS 113 20.448 7.624 10.221 905 HE1 HIS 113 HE1 HIS 113 16.328 6.631 10.625 906 HE2 HIS 113 HE2 HIS 113 18.635 6.365 11.657 907 H HIS 114 H HIS 114 19.089 5.611 6.174 908 HA HIS 114 HA HIS 114 21.404 4.552 7.640 909 HB2 HIS 114 HB2 HIS 114 19.131 3.232 6.118 910 HB3 HIS 114 HB3 HIS 114 20.414 2.341 6.934 911 HD2 HIS 114 HD2 HIS 114 17.065 3.770 7.642 912 HE1 HIS 114 HE1 HIS 114 18.802 3.126 11.480 913 HE2 HIS 114 HE2 HIS 114 16.644 3.638 10.238 914 H HIS 115 H HIS 115 22.265 6.181 5.546 915 HA HIS 115 HA HIS 115 23.961 4.326 3.973 916 HB2 HIS 115 HB2 HIS 115 22.314 6.579 2.760 917 HB3 HIS 115 HB3 HIS 115 23.654 5.786 1.947 918 HD2 HIS 115 HD2 HIS 115 19.972 5.460 2.539 919 HE1 HIS 115 HE1 HIS 115 21.105 1.793 0.706 920 HE2 HIS 115 HE2 HIS 115 19.134 3.244 1.429 Start of MODEL 7 1 H1 MET 1 H1 MET 1 2.824 -0.162 0.656 2 H2 MET 1 H2 MET 1 3.149 -1.464 -0.294 3 H3 MET 1 H3 MET 1 1.664 -1.292 0.372 4 HA MET 1 HA MET 1 1.175 0.622 -0.922 5 HB2 MET 1 HB2 MET 1 2.622 1.582 -2.482 6 HB3 MET 1 HB3 MET 1 3.578 1.384 -1.028 7 HG2 MET 1 HG2 MET 1 3.710 -0.341 -3.546 8 HG3 MET 1 HG3 MET 1 4.855 0.895 -3.061 9 HE1 MET 1 HE1 MET 1 5.809 -1.895 -3.989 10 HE2 MET 1 HE2 MET 1 6.915 -0.638 -3.377 11 HE3 MET 1 HE3 MET 1 7.026 -2.296 -2.755 12 H ARG 2 H ARG 2 0.243 0.459 -3.113 13 HA ARG 2 HA ARG 2 -0.140 -2.365 -3.843 14 HB2 ARG 2 HB2 ARG 2 -2.057 -0.770 -3.564 15 HB3 ARG 2 HB3 ARG 2 -1.521 0.055 -5.023 16 HG2 ARG 2 HG2 ARG 2 -1.899 -1.921 -6.393 17 HG3 ARG 2 HG3 ARG 2 -1.926 -2.979 -5.000 18 HD2 ARG 2 HD2 ARG 2 -4.079 -1.039 -5.849 19 HD3 ARG 2 HD3 ARG 2 -4.139 -2.792 -5.952 20 HE ARG 2 HE ARG 2 -4.767 -1.157 -3.680 21 HH11 ARG 2 HH11 ARG 2 -3.437 -4.381 -4.351 22 HH12 ARG 2 HH12 ARG 2 -3.630 -4.888 -2.722 23 HH21 ARG 2 HH21 ARG 2 -5.141 -1.990 -1.622 24 HH22 ARG 2 HH22 ARG 2 -4.659 -3.636 -1.264 25 H VAL 3 H VAL 3 0.215 -3.296 -5.736 26 HA VAL 3 HA VAL 3 1.900 -1.905 -7.760 27 HB VAL 3 HB VAL 3 2.188 -4.733 -6.655 28 HG11 VAL 3 HG11 VAL 3 3.784 -3.323 -8.847 29 HG12 VAL 3 HG12 VAL 3 4.209 -4.878 -8.102 30 HG13 VAL 3 HG13 VAL 3 2.739 -4.751 -9.063 31 HG21 VAL 3 HG21 VAL 3 3.149 -3.077 -5.135 32 HG22 VAL 3 HG22 VAL 3 4.445 -3.928 -5.971 33 HG23 VAL 3 HG23 VAL 3 3.993 -2.285 -6.479 34 H ILE 4 H ILE 4 1.491 -2.377 -9.884 35 HA ILE 4 HA ILE 4 -0.557 -4.410 -10.622 36 HB ILE 4 HB ILE 4 -0.671 -1.465 -11.136 37 HG12 ILE 4 HG12 ILE 4 -2.416 -3.669 -9.984 38 HG13 ILE 4 HG13 ILE 4 -1.980 -2.141 -9.254 39 HG21 ILE 4 HG21 ILE 4 -2.126 -3.543 -12.799 40 HG22 ILE 4 HG22 ILE 4 -2.311 -1.775 -12.875 41 HG23 ILE 4 HG23 ILE 4 -0.786 -2.486 -13.358 42 HD11 ILE 4 HD11 ILE 4 -4.070 -2.675 -11.390 43 HD12 ILE 4 HD12 ILE 4 -4.293 -2.028 -9.749 44 HD13 ILE 4 HD13 ILE 4 -3.466 -1.047 -11.000 45 H VAL 5 H VAL 5 -0.247 -5.304 -12.529 46 HA VAL 5 HA VAL 5 1.978 -4.285 -14.227 47 HB VAL 5 HB VAL 5 1.548 -7.244 -13.759 48 HG11 VAL 5 HG11 VAL 5 3.677 -5.721 -15.329 49 HG12 VAL 5 HG12 VAL 5 3.616 -7.480 -15.085 50 HG13 VAL 5 HG13 VAL 5 2.368 -6.679 -16.042 51 HG21 VAL 5 HG21 VAL 5 2.602 -6.254 -11.783 52 HG22 VAL 5 HG22 VAL 5 3.780 -7.199 -12.696 53 HG23 VAL 5 HG23 VAL 5 3.799 -5.426 -12.795 54 H VAL 6 H VAL 6 1.060 -3.541 -15.984 55 HA VAL 6 HA VAL 6 -1.306 -4.968 -17.161 56 HB VAL 6 HB VAL 6 -0.149 -2.256 -17.883 57 HG11 VAL 6 HG11 VAL 6 -2.326 -2.035 -19.115 58 HG12 VAL 6 HG12 VAL 6 -1.229 -3.200 -19.835 59 HG13 VAL 6 HG13 VAL 6 -2.605 -3.771 -18.849 60 HG21 VAL 6 HG21 VAL 6 -1.248 -2.165 -15.694 61 HG22 VAL 6 HG22 VAL 6 -2.360 -1.465 -16.869 62 HG23 VAL 6 HG23 VAL 6 -2.623 -3.125 -16.309 63 H ILE 7 H ILE 7 -1.149 -5.816 -19.263 64 HA ILE 7 HA ILE 7 1.504 -5.647 -20.621 65 HB ILE 7 HB ILE 7 -0.141 -8.195 -20.418 66 HG12 ILE 7 HG12 ILE 7 2.111 -8.990 -19.278 67 HG13 ILE 7 HG13 ILE 7 2.284 -7.293 -18.853 68 HG21 ILE 7 HG21 ILE 7 2.487 -7.528 -21.797 69 HG22 ILE 7 HG22 ILE 7 1.928 -9.185 -21.498 70 HG23 ILE 7 HG23 ILE 7 0.973 -8.128 -22.524 71 HD11 ILE 7 HD11 ILE 7 1.224 -8.744 -17.078 72 HD12 ILE 7 HD12 ILE 7 0.178 -7.405 -17.553 73 HD13 ILE 7 HD13 ILE 7 -0.144 -9.038 -18.157 74 H VAL 8 H VAL 8 1.347 -4.946 -22.706 75 HA VAL 8 HA VAL 8 -1.201 -4.758 -24.108 76 HB VAL 8 HB VAL 8 1.626 -4.443 -25.184 77 HG11 VAL 8 HG11 VAL 8 -1.091 -3.713 -26.377 78 HG12 VAL 8 HG12 VAL 8 0.483 -3.200 -27.032 79 HG13 VAL 8 HG13 VAL 8 0.049 -4.907 -27.024 80 HG21 VAL 8 HG21 VAL 8 1.109 -2.757 -23.468 81 HG22 VAL 8 HG22 VAL 8 1.103 -2.021 -25.076 82 HG23 VAL 8 HG23 VAL 8 -0.434 -2.396 -24.261 83 H GLY 9 H GLY 9 -2.245 -6.573 -24.650 84 HA2 GLY 9 HA2 GLY 9 -1.396 -8.480 -26.531 85 HA3 GLY 9 HA3 GLY 9 -1.096 -9.178 -24.942 86 HA PRO 10 HA PRO 10 -1.802 -11.182 -25.936 87 HB2 PRO 10 HB2 PRO 10 -3.255 -13.120 -27.168 88 HB3 PRO 10 HB3 PRO 10 -3.394 -12.804 -25.413 89 HG2 PRO 10 HG2 PRO 10 -5.188 -11.741 -27.616 90 HG3 PRO 10 HG3 PRO 10 -5.676 -12.590 -26.115 91 HD2 PRO 10 HD2 PRO 10 -5.642 -9.862 -26.311 92 HD3 PRO 10 HD3 PRO 10 -5.209 -10.699 -24.789 93 H SER 11 H SER 11 -3.480 -9.184 -28.084 94 HA SER 11 HA SER 11 -2.591 -10.187 -30.622 95 HB2 SER 11 HB2 SER 11 -3.494 -7.414 -29.794 96 HB3 SER 11 HB3 SER 11 -3.342 -7.996 -31.465 97 HG SER 11 HG SER 11 -5.477 -8.194 -30.641 98 H GLY 12 H GLY 12 -0.518 -9.187 -28.335 99 HA2 GLY 12 HA2 GLY 12 1.620 -8.533 -30.189 100 HA3 GLY 12 HA3 GLY 12 1.171 -7.183 -29.151 101 H ALA 13 H ALA 13 3.581 -7.872 -28.875 102 HA ALA 13 HA ALA 13 5.326 -8.487 -27.660 103 HB1 ALA 13 HB1 ALA 13 5.117 -8.611 -25.246 104 HB2 ALA 13 HB2 ALA 13 4.106 -7.307 -25.899 105 HB3 ALA 13 HB3 ALA 13 3.360 -8.826 -25.376 106 H GLY 14 H GLY 14 2.795 -10.970 -27.136 107 HA2 GLY 14 HA2 GLY 14 3.903 -13.062 -28.432 108 HA3 GLY 14 HA3 GLY 14 4.750 -13.159 -26.888 109 H LYS 15 H LYS 15 3.090 -15.220 -27.816 110 HA LYS 15 HA LYS 15 0.432 -14.969 -26.581 111 HB2 LYS 15 HB2 LYS 15 1.785 -17.397 -27.831 112 HB3 LYS 15 HB3 LYS 15 0.074 -17.239 -27.437 113 HG2 LYS 15 HG2 LYS 15 1.604 -15.680 -29.558 114 HG3 LYS 15 HG3 LYS 15 0.398 -16.939 -29.814 115 HD2 LYS 15 HD2 LYS 15 -1.352 -15.489 -28.820 116 HD3 LYS 15 HD3 LYS 15 -0.145 -14.205 -28.557 117 HE2 LYS 15 HE2 LYS 15 0.312 -14.112 -30.963 118 HE3 LYS 15 HE3 LYS 15 -0.880 -15.377 -31.264 119 HZ1 LYS 15 HZ1 LYS 15 -1.763 -13.101 -31.594 120 HZ2 LYS 15 HZ2 LYS 15 -2.605 -13.912 -30.456 121 HZ3 LYS 15 HZ3 LYS 15 -1.529 -12.775 -30.007 122 H THR 16 H THR 16 3.411 -16.661 -25.696 123 HA THR 16 HA THR 16 2.139 -17.749 -23.241 124 HB THR 16 HB THR 16 5.023 -18.044 -24.131 125 HG1 THR 16 HG1 THR 16 4.328 -19.966 -25.053 126 HG21 THR 16 HG21 THR 16 4.648 -18.749 -21.810 127 HG22 THR 16 HG22 THR 16 3.230 -19.700 -22.298 128 HG23 THR 16 HG23 THR 16 4.864 -20.168 -22.834 129 H THR 17 H THR 17 4.419 -15.177 -24.140 130 HA THR 17 HA THR 17 5.674 -14.784 -21.675 131 HB THR 17 HB THR 17 6.353 -13.753 -23.802 132 HG1 THR 17 HG1 THR 17 7.142 -11.944 -22.806 133 HG21 THR 17 HG21 THR 17 4.395 -11.509 -23.202 134 HG22 THR 17 HG22 THR 17 5.405 -11.745 -24.643 135 HG23 THR 17 HG23 THR 17 4.008 -12.814 -24.333 136 H LEU 18 H LEU 18 2.682 -13.035 -22.751 137 HA LEU 18 HA LEU 18 2.242 -11.616 -20.339 138 HB2 LEU 18 HB2 LEU 18 0.008 -11.249 -21.176 139 HB3 LEU 18 HB3 LEU 18 1.205 -11.088 -22.449 140 HG LEU 18 HG LEU 18 0.541 -13.586 -23.046 141 HD11 LEU 18 HD11 LEU 18 -2.033 -12.588 -21.738 142 HD12 LEU 18 HD12 LEU 18 -1.852 -14.027 -22.757 143 HD13 LEU 18 HD13 LEU 18 -1.079 -13.976 -21.171 144 HD21 LEU 18 HD21 LEU 18 0.241 -11.577 -24.454 145 HD22 LEU 18 HD22 LEU 18 -1.063 -12.754 -24.605 146 HD23 LEU 18 HD23 LEU 18 -1.312 -11.264 -23.641 147 H ASP 19 H ASP 19 1.813 -14.929 -20.971 148 HA ASP 19 HA ASP 19 -0.280 -15.474 -18.964 149 HB2 ASP 19 HB2 ASP 19 0.386 -16.662 -21.248 150 HB3 ASP 19 HB3 ASP 19 1.470 -17.587 -20.236 151 H GLU 20 H GLU 20 3.066 -16.614 -19.486 152 HA GLU 20 HA GLU 20 3.491 -17.526 -16.867 153 HB2 GLU 20 HB2 GLU 20 5.775 -17.771 -17.421 154 HB3 GLU 20 HB3 GLU 20 4.841 -18.124 -18.879 155 HG2 GLU 20 HG2 GLU 20 5.384 -15.929 -19.807 156 HG3 GLU 20 HG3 GLU 20 6.236 -15.464 -18.332 157 H LEU 21 H LEU 21 3.676 -14.321 -18.255 158 HA LEU 21 HA LEU 21 5.006 -12.997 -16.024 159 HB2 LEU 21 HB2 LEU 21 3.388 -12.152 -18.408 160 HB3 LEU 21 HB3 LEU 21 3.505 -11.020 -17.115 161 HG LEU 21 HG LEU 21 5.182 -10.947 -19.114 162 HD11 LEU 21 HD11 LEU 21 5.124 -9.418 -17.183 163 HD12 LEU 21 HD12 LEU 21 6.031 -10.591 -16.206 164 HD13 LEU 21 HD13 LEU 21 6.802 -9.814 -17.607 165 HD21 LEU 21 HD21 LEU 21 7.389 -11.868 -18.691 166 HD22 LEU 21 HD22 LEU 21 6.824 -12.701 -17.230 167 HD23 LEU 21 HD23 LEU 21 6.240 -13.199 -18.836 168 H ALA 22 H ALA 22 1.465 -13.153 -16.936 169 HA ALA 22 HA ALA 22 0.576 -11.963 -14.562 170 HB1 ALA 22 HB1 ALA 22 -1.601 -12.969 -15.101 171 HB2 ALA 22 HB2 ALA 22 -0.830 -12.297 -16.554 172 HB3 ALA 22 HB3 ALA 22 -0.831 -14.052 -16.274 173 H ARG 23 H ARG 23 1.153 -15.404 -15.192 174 HA ARG 23 HA ARG 23 0.351 -16.477 -12.663 175 HB2 ARG 23 HB2 ARG 23 2.328 -17.414 -14.784 176 HB3 ARG 23 HB3 ARG 23 1.863 -18.400 -13.400 177 HG2 ARG 23 HG2 ARG 23 -0.361 -18.661 -14.136 178 HG3 ARG 23 HG3 ARG 23 -0.320 -17.237 -15.162 179 HD2 ARG 23 HD2 ARG 23 -0.387 -19.083 -16.592 180 HD3 ARG 23 HD3 ARG 23 1.239 -18.414 -16.728 181 HE ARG 23 HE ARG 23 1.421 -20.437 -14.791 182 HH11 ARG 23 HH11 ARG 23 0.482 -20.313 -18.177 183 HH12 ARG 23 HH12 ARG 23 1.005 -21.951 -18.481 184 HH21 ARG 23 HH21 ARG 23 2.051 -22.536 -15.253 185 HH22 ARG 23 HH22 ARG 23 1.878 -23.166 -16.869 186 H LYS 24 H LYS 24 3.742 -15.800 -13.742 187 HA LYS 24 HA LYS 24 4.828 -16.306 -11.130 188 HB2 LYS 24 HB2 LYS 24 6.012 -14.905 -13.555 189 HB3 LYS 24 HB3 LYS 24 6.888 -15.152 -12.040 190 HG2 LYS 24 HG2 LYS 24 6.554 -17.571 -12.144 191 HG3 LYS 24 HG3 LYS 24 5.667 -17.430 -13.659 192 HD2 LYS 24 HD2 LYS 24 8.557 -16.524 -13.307 193 HD3 LYS 24 HD3 LYS 24 8.082 -18.142 -13.842 194 HE2 LYS 24 HE2 LYS 24 6.823 -17.148 -15.727 195 HE3 LYS 24 HE3 LYS 24 7.364 -15.542 -15.264 196 HZ1 LYS 24 HZ1 LYS 24 8.727 -16.675 -17.032 197 HZ2 LYS 24 HZ2 LYS 24 9.629 -16.184 -15.755 198 HZ3 LYS 24 HZ3 LYS 24 9.226 -17.758 -15.949 199 H ALA 25 H ALA 25 4.010 -13.146 -12.677 200 HA ALA 25 HA ALA 25 4.828 -11.503 -10.469 201 HB1 ALA 25 HB1 ALA 25 2.539 -11.051 -12.427 202 HB2 ALA 25 HB2 ALA 25 3.340 -9.834 -11.408 203 HB3 ALA 25 HB3 ALA 25 4.238 -10.609 -12.718 204 H LYS 26 H LYS 26 1.389 -12.755 -11.081 205 HA LYS 26 HA LYS 26 0.604 -11.870 -8.525 206 HB2 LYS 26 HB2 LYS 26 -0.851 -12.631 -10.489 207 HB3 LYS 26 HB3 LYS 26 -0.589 -14.282 -9.918 208 HG2 LYS 26 HG2 LYS 26 -2.536 -13.796 -8.759 209 HG3 LYS 26 HG3 LYS 26 -1.372 -13.228 -7.574 210 HD2 LYS 26 HD2 LYS 26 -1.671 -10.929 -8.997 211 HD3 LYS 26 HD3 LYS 26 -3.243 -11.693 -9.339 212 HE2 LYS 26 HE2 LYS 26 -3.154 -12.161 -6.703 213 HE3 LYS 26 HE3 LYS 26 -1.957 -10.861 -6.749 214 HZ1 LYS 26 HZ1 LYS 26 -4.763 -10.602 -7.695 215 HZ2 LYS 26 HZ2 LYS 26 -4.188 -10.032 -6.270 216 HZ3 LYS 26 HZ3 LYS 26 -3.626 -9.412 -7.659 217 H GLU 27 H GLU 27 2.332 -14.918 -9.309 218 HA GLU 27 HA GLU 27 2.126 -16.112 -6.729 219 HB2 GLU 27 HB2 GLU 27 3.479 -16.700 -9.112 220 HB3 GLU 27 HB3 GLU 27 4.788 -16.392 -7.999 221 HG2 GLU 27 HG2 GLU 27 3.765 -17.996 -6.369 222 HG3 GLU 27 HG3 GLU 27 2.508 -18.355 -7.548 223 H GLU 28 H GLU 28 4.738 -13.926 -7.914 224 HA GLU 28 HA GLU 28 5.894 -13.706 -5.236 225 HB2 GLU 28 HB2 GLU 28 7.494 -12.179 -6.180 226 HB3 GLU 28 HB3 GLU 28 7.391 -13.673 -7.107 227 HG2 GLU 28 HG2 GLU 28 6.381 -12.589 -8.955 228 HG3 GLU 28 HG3 GLU 28 5.864 -11.205 -8.013 229 H VAL 29 H VAL 29 3.540 -11.870 -6.931 230 HA VAL 29 HA VAL 29 3.281 -9.930 -4.707 231 HB VAL 29 HB VAL 29 2.909 -8.080 -6.170 232 HG11 VAL 29 HG11 VAL 29 5.579 -9.326 -6.871 233 HG12 VAL 29 HG12 VAL 29 5.172 -7.611 -6.827 234 HG13 VAL 29 HG13 VAL 29 5.219 -8.538 -5.309 235 HG21 VAL 29 HG21 VAL 29 2.334 -9.514 -8.271 236 HG22 VAL 29 HG22 VAL 29 3.272 -8.011 -8.486 237 HG23 VAL 29 HG23 VAL 29 4.090 -9.590 -8.509 238 HA PRO 30 HA PRO 30 -0.684 -12.098 -5.580 239 HB2 PRO 30 HB2 PRO 30 -1.233 -12.745 -2.964 240 HB3 PRO 30 HB3 PRO 30 -0.173 -13.736 -4.023 241 HG2 PRO 30 HG2 PRO 30 0.608 -11.636 -1.982 242 HG3 PRO 30 HG3 PRO 30 1.290 -13.286 -2.190 243 HD2 PRO 30 HD2 PRO 30 2.493 -11.088 -3.268 244 HD3 PRO 30 HD3 PRO 30 2.461 -12.649 -4.145 245 H ASP 31 H ASP 31 0.247 -9.304 -3.954 246 HA ASP 31 HA ASP 31 -2.502 -8.374 -3.245 247 HB2 ASP 31 HB2 ASP 31 -0.293 -8.107 -1.879 248 HB3 ASP 31 HB3 ASP 31 0.106 -6.837 -3.018 249 H ALA 32 H ALA 32 -0.294 -8.364 -5.799 250 HA ALA 32 HA ALA 32 -1.006 -5.761 -6.878 251 HB1 ALA 32 HB1 ALA 32 0.755 -7.933 -8.085 252 HB2 ALA 32 HB2 ALA 32 0.757 -6.228 -8.536 253 HB3 ALA 32 HB3 ALA 32 1.341 -6.715 -6.920 254 H GLU 33 H GLU 33 -1.746 -5.433 -9.101 255 HA GLU 33 HA GLU 33 -3.686 -7.612 -9.881 256 HB2 GLU 33 HB2 GLU 33 -4.081 -4.834 -10.868 257 HB3 GLU 33 HB3 GLU 33 -5.239 -6.118 -10.617 258 HG2 GLU 33 HG2 GLU 33 -3.850 -4.606 -8.373 259 HG3 GLU 33 HG3 GLU 33 -5.372 -4.142 -9.089 260 H ILE 34 H ILE 34 -2.948 -8.803 -11.448 261 HA ILE 34 HA ILE 34 -1.426 -7.535 -13.617 262 HB ILE 34 HB ILE 34 -1.704 -10.507 -13.293 263 HG12 ILE 34 HG12 ILE 34 -1.210 -9.935 -11.041 264 HG13 ILE 34 HG13 ILE 34 0.146 -10.695 -11.794 265 HG21 ILE 34 HG21 ILE 34 0.866 -9.994 -14.021 266 HG22 ILE 34 HG22 ILE 34 -0.485 -10.089 -15.198 267 HG23 ILE 34 HG23 ILE 34 0.110 -8.538 -14.651 268 HD11 ILE 34 HD11 ILE 34 0.751 -8.849 -10.277 269 HD12 ILE 34 HD12 ILE 34 1.367 -8.591 -11.929 270 HD13 ILE 34 HD13 ILE 34 -0.042 -7.678 -11.351 271 H ARG 35 H ARG 35 -2.315 -7.103 -15.489 272 HA ARG 35 HA ARG 35 -4.335 -8.901 -16.682 273 HB2 ARG 35 HB2 ARG 35 -5.903 -7.020 -17.239 274 HB3 ARG 35 HB3 ARG 35 -5.908 -7.478 -15.569 275 HG2 ARG 35 HG2 ARG 35 -4.258 -5.124 -16.565 276 HG3 ARG 35 HG3 ARG 35 -5.968 -5.047 -16.082 277 HD2 ARG 35 HD2 ARG 35 -4.872 -6.492 -14.013 278 HD3 ARG 35 HD3 ARG 35 -3.554 -5.417 -14.385 279 HE ARG 35 HE ARG 35 -6.263 -4.933 -13.262 280 HH11 ARG 35 HH11 ARG 35 -3.729 -3.052 -14.776 281 HH12 ARG 35 HH12 ARG 35 -4.525 -1.555 -14.316 282 HH21 ARG 35 HH21 ARG 35 -7.068 -3.176 -12.680 283 HH22 ARG 35 HH22 ARG 35 -6.459 -1.661 -13.282 284 H THR 36 H THR 36 -5.069 -8.154 -18.879 285 HA THR 36 HA THR 36 -2.844 -6.815 -20.323 286 HB THR 36 HB THR 36 -3.026 -8.296 -22.184 287 HG1 THR 36 HG1 THR 36 -4.573 -9.940 -22.232 288 HG21 THR 36 HG21 THR 36 -2.183 -10.291 -21.397 289 HG22 THR 36 HG22 THR 36 -1.907 -9.257 -19.974 290 HG23 THR 36 HG23 THR 36 -3.278 -10.362 -19.995 291 H VAL 37 H VAL 37 -3.324 -5.901 -22.379 292 HA VAL 37 HA VAL 37 -6.109 -5.034 -22.943 293 HB VAL 37 HB VAL 37 -5.919 -2.935 -22.586 294 HG11 VAL 37 HG11 VAL 37 -3.386 -3.423 -21.084 295 HG12 VAL 37 HG12 VAL 37 -4.424 -1.974 -21.021 296 HG13 VAL 37 HG13 VAL 37 -5.084 -3.539 -20.477 297 HG21 VAL 37 HG21 VAL 37 -3.956 -1.497 -23.060 298 HG22 VAL 37 HG22 VAL 37 -3.195 -2.892 -23.826 299 HG23 VAL 37 HG23 VAL 37 -4.799 -2.283 -24.400 300 H THR 38 H THR 38 -6.537 -4.568 -24.904 301 HA THR 38 HA THR 38 -4.431 -5.174 -26.993 302 HB THR 38 HB THR 38 -6.014 -7.021 -26.535 303 HG1 THR 38 HG1 THR 38 -6.322 -7.437 -28.696 304 HG21 THR 38 HG21 THR 38 -8.058 -5.546 -26.227 305 HG22 THR 38 HG22 THR 38 -8.087 -5.327 -27.982 306 HG23 THR 38 HG23 THR 38 -8.280 -6.954 -27.300 307 H THR 39 H THR 39 -6.834 -2.947 -26.035 308 HA THR 39 HA THR 39 -6.501 -1.204 -28.405 309 HB THR 39 HB THR 39 -9.129 -1.003 -28.284 310 HG1 THR 39 HG1 THR 39 -10.049 -3.055 -27.789 311 HG21 THR 39 HG21 THR 39 -7.903 -1.889 -30.246 312 HG22 THR 39 HG22 THR 39 -8.004 -3.523 -29.535 313 HG23 THR 39 HG23 THR 39 -9.489 -2.634 -29.970 314 H LYS 40 H LYS 40 -7.698 0.851 -28.098 315 HA LYS 40 HA LYS 40 -6.789 2.217 -25.865 316 HB2 LYS 40 HB2 LYS 40 -7.975 4.078 -26.669 317 HB3 LYS 40 HB3 LYS 40 -7.521 3.159 -28.094 318 HG2 LYS 40 HG2 LYS 40 -10.264 3.342 -26.796 319 HG3 LYS 40 HG3 LYS 40 -9.743 4.177 -28.246 320 HD2 LYS 40 HD2 LYS 40 -9.559 2.023 -29.461 321 HD3 LYS 40 HD3 LYS 40 -10.111 1.157 -28.013 322 HE2 LYS 40 HE2 LYS 40 -12.189 2.596 -28.024 323 HE3 LYS 40 HE3 LYS 40 -11.657 3.250 -29.576 324 HZ1 LYS 40 HZ1 LYS 40 -13.180 1.440 -29.955 325 HZ2 LYS 40 HZ2 LYS 40 -11.721 0.925 -30.430 326 HZ3 LYS 40 HZ3 LYS 40 -12.359 0.413 -29.012 327 H GLU 41 H GLU 41 -9.752 0.479 -26.227 328 HA GLU 41 HA GLU 41 -11.172 1.609 -23.953 329 HB2 GLU 41 HB2 GLU 41 -12.839 -0.150 -24.502 330 HB3 GLU 41 HB3 GLU 41 -12.357 0.829 -25.898 331 HG2 GLU 41 HG2 GLU 41 -10.804 -0.954 -26.621 332 HG3 GLU 41 HG3 GLU 41 -11.359 -1.993 -25.320 333 H ASP 42 H ASP 42 -9.346 -1.408 -24.582 334 HA ASP 42 HA ASP 42 -9.801 -2.508 -21.947 335 HB2 ASP 42 HB2 ASP 42 -7.715 -3.071 -24.079 336 HB3 ASP 42 HB3 ASP 42 -7.779 -3.838 -22.516 337 H ALA 43 H ALA 43 -7.273 -0.467 -23.390 338 HA ALA 43 HA ALA 43 -5.649 -0.263 -21.022 339 HB1 ALA 43 HB1 ALA 43 -6.093 1.489 -23.454 340 HB2 ALA 43 HB2 ALA 43 -4.961 1.926 -22.136 341 HB3 ALA 43 HB3 ALA 43 -4.725 0.423 -23.034 342 H LYS 44 H LYS 44 -8.447 1.662 -22.171 343 HA LYS 44 HA LYS 44 -8.526 3.402 -19.939 344 HB2 LYS 44 HB2 LYS 44 -9.685 3.820 -22.043 345 HB3 LYS 44 HB3 LYS 44 -10.868 2.550 -21.682 346 HG2 LYS 44 HG2 LYS 44 -11.824 3.733 -19.915 347 HG3 LYS 44 HG3 LYS 44 -10.358 4.658 -19.577 348 HD2 LYS 44 HD2 LYS 44 -10.680 5.872 -21.764 349 HD3 LYS 44 HD3 LYS 44 -12.288 5.117 -21.877 350 HE2 LYS 44 HE2 LYS 44 -12.826 6.066 -19.612 351 HE3 LYS 44 HE3 LYS 44 -11.240 6.837 -19.576 352 HZ1 LYS 44 HZ1 LYS 44 -11.888 8.123 -21.539 353 HZ2 LYS 44 HZ2 LYS 44 -13.350 7.413 -21.588 354 HZ3 LYS 44 HZ3 LYS 44 -12.955 8.389 -20.333 355 H ARG 45 H ARG 45 -10.176 0.236 -20.361 356 HA ARG 45 HA ARG 45 -11.527 0.400 -17.855 357 HB2 ARG 45 HB2 ARG 45 -12.469 -1.570 -18.243 358 HB3 ARG 45 HB3 ARG 45 -12.096 -1.048 -19.876 359 HG2 ARG 45 HG2 ARG 45 -10.040 -2.586 -19.753 360 HG3 ARG 45 HG3 ARG 45 -10.702 -3.192 -18.218 361 HD2 ARG 45 HD2 ARG 45 -12.825 -3.791 -19.441 362 HD3 ARG 45 HD3 ARG 45 -12.080 -3.196 -20.929 363 HE ARG 45 HE ARG 45 -10.880 -5.126 -21.150 364 HH11 ARG 45 HH11 ARG 45 -12.136 -5.135 -17.865 365 HH12 ARG 45 HH12 ARG 45 -11.577 -6.764 -17.569 366 HH21 ARG 45 HH21 ARG 45 -10.183 -7.182 -20.693 367 HH22 ARG 45 HH22 ARG 45 -10.544 -7.895 -19.146 368 H VAL 46 H VAL 46 -8.531 -1.413 -18.667 369 HA VAL 46 HA VAL 46 -8.090 -2.334 -15.999 370 HB VAL 46 HB VAL 46 -5.912 -2.814 -16.525 371 HG11 VAL 46 HG11 VAL 46 -7.682 -4.279 -17.507 372 HG12 VAL 46 HG12 VAL 46 -7.538 -3.410 -19.041 373 HG13 VAL 46 HG13 VAL 46 -6.162 -4.324 -18.423 374 HG21 VAL 46 HG21 VAL 46 -5.981 -1.232 -19.053 375 HG22 VAL 46 HG22 VAL 46 -5.041 -0.898 -17.560 376 HG23 VAL 46 HG23 VAL 46 -4.692 -2.348 -18.491 377 H ALA 47 H ALA 47 -7.032 0.723 -17.536 378 HA ALA 47 HA ALA 47 -5.646 1.589 -15.185 379 HB1 ALA 47 HB1 ALA 47 -6.782 3.364 -17.353 380 HB2 ALA 47 HB2 ALA 47 -5.325 3.604 -16.322 381 HB3 ALA 47 HB3 ALA 47 -5.356 2.365 -17.598 382 H GLU 48 H GLU 48 -8.912 2.615 -16.425 383 HA GLU 48 HA GLU 48 -9.574 4.234 -14.199 384 HB2 GLU 48 HB2 GLU 48 -11.733 4.307 -15.015 385 HB3 GLU 48 HB3 GLU 48 -10.723 4.137 -16.455 386 HG2 GLU 48 HG2 GLU 48 -11.166 1.642 -16.319 387 HG3 GLU 48 HG3 GLU 48 -12.281 1.936 -15.031 388 H GLU 49 H GLU 49 -9.412 0.782 -14.457 389 HA GLU 49 HA GLU 49 -10.879 0.180 -11.959 390 HB2 GLU 49 HB2 GLU 49 -10.416 -1.463 -13.891 391 HB3 GLU 49 HB3 GLU 49 -8.758 -1.515 -13.360 392 HG2 GLU 49 HG2 GLU 49 -9.583 -2.246 -11.066 393 HG3 GLU 49 HG3 GLU 49 -11.194 -2.402 -11.771 394 H ALA 50 H ALA 50 -7.469 0.324 -12.953 395 HA ALA 50 HA ALA 50 -6.262 -0.266 -10.450 396 HB1 ALA 50 HB1 ALA 50 -4.292 0.992 -11.340 397 HB2 ALA 50 HB2 ALA 50 -4.909 -0.250 -12.453 398 HB3 ALA 50 HB3 ALA 50 -5.286 1.482 -12.726 399 H GLU 51 H GLU 51 -7.546 2.897 -11.594 400 HA GLU 51 HA GLU 51 -6.374 4.312 -9.314 401 HB2 GLU 51 HB2 GLU 51 -7.796 6.157 -9.947 402 HB3 GLU 51 HB3 GLU 51 -6.976 5.436 -11.351 403 HG2 GLU 51 HG2 GLU 51 -8.855 4.657 -12.314 404 HG3 GLU 51 HG3 GLU 51 -9.721 4.404 -10.809 405 H ARG 52 H ARG 52 -9.039 2.257 -9.578 406 HA ARG 52 HA ARG 52 -10.651 3.320 -7.365 407 HB2 ARG 52 HB2 ARG 52 -10.817 0.485 -8.409 408 HB3 ARG 52 HB3 ARG 52 -12.071 1.432 -7.626 409 HG2 ARG 52 HG2 ARG 52 -10.860 2.019 -10.364 410 HG3 ARG 52 HG3 ARG 52 -12.317 1.108 -10.102 411 HD2 ARG 52 HD2 ARG 52 -12.761 3.321 -10.856 412 HD3 ARG 52 HD3 ARG 52 -13.505 3.004 -9.262 413 HE ARG 52 HE ARG 52 -11.360 4.934 -9.979 414 HH11 ARG 52 HH11 ARG 52 -13.453 3.786 -7.396 415 HH12 ARG 52 HH12 ARG 52 -13.255 5.271 -6.497 416 HH21 ARG 52 HH21 ARG 52 -11.257 6.713 -8.917 417 HH22 ARG 52 HH22 ARG 52 -12.010 6.939 -7.344 418 H ARG 53 H ARG 53 -8.231 0.857 -7.713 419 HA ARG 53 HA ARG 53 -8.133 0.280 -4.769 420 HB2 ARG 53 HB2 ARG 53 -6.703 -1.626 -5.431 421 HB3 ARG 53 HB3 ARG 53 -8.342 -1.709 -6.052 422 HG2 ARG 53 HG2 ARG 53 -6.475 -0.380 -7.947 423 HG3 ARG 53 HG3 ARG 53 -5.941 -1.997 -7.522 424 HD2 ARG 53 HD2 ARG 53 -8.753 -1.370 -8.467 425 HD3 ARG 53 HD3 ARG 53 -7.448 -1.918 -9.537 426 HE ARG 53 HE ARG 53 -7.349 -3.939 -7.879 427 HH11 ARG 53 HH11 ARG 53 -8.396 -5.651 -7.567 428 HH12 ARG 53 HH12 ARG 53 -10.130 -5.797 -7.833 429 HH21 ARG 53 HH21 ARG 53 -10.408 -2.469 -8.814 430 HH22 ARG 53 HH22 ARG 53 -11.256 -3.978 -8.554 431 H ASN 54 H ASN 54 -6.689 2.280 -6.942 432 HA ASN 54 HA ASN 54 -4.996 3.785 -6.760 433 HB2 ASN 54 HB2 ASN 54 -5.664 3.055 -3.958 434 HB3 ASN 54 HB3 ASN 54 -4.170 3.955 -4.181 435 HD21 ASN 54 HD21 ASN 54 -7.690 4.123 -4.914 436 HD22 ASN 54 HD22 ASN 54 -7.712 5.880 -4.986 437 H ALA 55 H ALA 55 -4.107 1.950 -8.014 438 HA ALA 55 HA ALA 55 -1.970 0.356 -7.086 439 HB1 ALA 55 HB1 ALA 55 -2.457 1.482 -9.858 440 HB2 ALA 55 HB2 ALA 55 -1.417 0.109 -9.408 441 HB3 ALA 55 HB3 ALA 55 -3.203 0.036 -9.142 442 H ASP 56 H ASP 56 -0.607 1.622 -5.733 443 HA ASP 56 HA ASP 56 0.541 4.044 -6.224 444 HB2 ASP 56 HB2 ASP 56 0.828 2.074 -4.277 445 HB3 ASP 56 HB3 ASP 56 2.444 2.173 -4.939 446 H ILE 57 H ILE 57 1.657 0.935 -7.484 447 HA ILE 57 HA ILE 57 3.482 2.364 -9.360 448 HB ILE 57 HB ILE 57 4.246 -0.396 -8.441 449 HG12 ILE 57 HG12 ILE 57 4.799 2.111 -6.810 450 HG13 ILE 57 HG13 ILE 57 3.953 0.652 -6.289 451 HG21 ILE 57 HG21 ILE 57 5.857 2.082 -9.227 452 HG22 ILE 57 HG22 ILE 57 6.475 0.422 -9.104 453 HG23 ILE 57 HG23 ILE 57 5.329 0.832 -10.371 454 HD11 ILE 57 HD11 ILE 57 6.915 0.865 -6.881 455 HD12 ILE 57 HD12 ILE 57 6.125 0.645 -5.312 456 HD13 ILE 57 HD13 ILE 57 6.050 -0.654 -6.525 457 H VAL 58 H VAL 58 2.969 2.013 -11.367 458 HA VAL 58 HA VAL 58 1.501 -0.439 -12.242 459 HB VAL 58 HB VAL 58 0.662 1.346 -14.034 460 HG11 VAL 58 HG11 VAL 58 -0.481 0.920 -11.285 461 HG12 VAL 58 HG12 VAL 58 -1.348 1.688 -12.633 462 HG13 VAL 58 HG13 VAL 58 -0.840 0.013 -12.798 463 HG21 VAL 58 HG21 VAL 58 1.973 3.202 -12.787 464 HG22 VAL 58 HG22 VAL 58 0.280 3.514 -13.160 465 HG23 VAL 58 HG23 VAL 58 0.810 3.063 -11.494 466 H VAL 59 H VAL 59 3.138 -1.606 -12.882 467 HA VAL 59 HA VAL 59 5.138 -0.717 -14.877 468 HB VAL 59 HB VAL 59 4.379 -3.426 -13.691 469 HG11 VAL 59 HG11 VAL 59 5.348 -3.795 -15.915 470 HG12 VAL 59 HG12 VAL 59 6.691 -2.695 -15.533 471 HG13 VAL 59 HG13 VAL 59 6.529 -4.239 -14.674 472 HG21 VAL 59 HG21 VAL 59 6.518 -3.267 -12.474 473 HG22 VAL 59 HG22 VAL 59 6.853 -1.699 -13.219 474 HG23 VAL 59 HG23 VAL 59 5.496 -1.881 -12.078 475 H ILE 60 H ILE 60 4.547 -0.500 -16.983 476 HA ILE 60 HA ILE 60 2.363 -2.195 -18.080 477 HB ILE 60 HB ILE 60 3.707 0.159 -19.352 478 HG12 ILE 60 HG12 ILE 60 2.767 1.006 -17.175 479 HG13 ILE 60 HG13 ILE 60 2.275 1.798 -18.636 480 HG21 ILE 60 HG21 ILE 60 1.057 -1.242 -19.845 481 HG22 ILE 60 HG22 ILE 60 1.540 0.292 -20.589 482 HG23 ILE 60 HG23 ILE 60 2.489 -1.174 -20.895 483 HD11 ILE 60 HD11 ILE 60 0.611 -0.142 -17.018 484 HD12 ILE 60 HD12 ILE 60 0.403 1.621 -17.177 485 HD13 ILE 60 HD13 ILE 60 0.111 0.589 -18.576 486 H VAL 61 H VAL 61 3.163 -4.001 -18.924 487 HA VAL 61 HA VAL 61 5.777 -4.195 -20.287 488 HB VAL 61 HB VAL 61 3.572 -6.259 -20.248 489 HG11 VAL 61 HG11 VAL 61 5.445 -7.819 -20.706 490 HG12 VAL 61 HG12 VAL 61 5.248 -6.636 -21.999 491 HG13 VAL 61 HG13 VAL 61 6.559 -6.446 -20.803 492 HG21 VAL 61 HG21 VAL 61 4.842 -7.369 -18.444 493 HG22 VAL 61 HG22 VAL 61 5.950 -5.982 -18.347 494 HG23 VAL 61 HG23 VAL 61 4.236 -5.807 -17.906 495 H GLY 62 H GLY 62 6.022 -3.821 -22.459 496 HA2 GLY 62 HA2 GLY 62 3.740 -4.178 -24.311 497 HA3 GLY 62 HA3 GLY 62 4.473 -2.566 -24.260 498 HA PRO 63 HA PRO 63 6.601 -5.796 -27.028 499 HB2 PRO 63 HB2 PRO 63 5.838 -4.998 -29.559 500 HB3 PRO 63 HB3 PRO 63 4.914 -6.132 -28.531 501 HG2 PRO 63 HG2 PRO 63 4.453 -3.154 -28.896 502 HG3 PRO 63 HG3 PRO 63 3.248 -4.482 -28.916 503 HD2 PRO 63 HD2 PRO 63 3.695 -2.961 -26.695 504 HD3 PRO 63 HD3 PRO 63 3.342 -4.718 -26.583 505 H SER 64 H SER 64 6.289 -2.810 -28.927 506 HA SER 64 HA SER 64 8.953 -1.739 -28.527 507 HB2 SER 64 HB2 SER 64 9.814 -2.447 -30.717 508 HB3 SER 64 HB3 SER 64 9.427 -3.870 -29.729 509 HG SER 64 HG SER 64 8.641 -4.060 -31.871 510 H GLY 65 H GLY 65 9.446 -0.161 -30.394 511 HA2 GLY 65 HA2 GLY 65 8.949 1.528 -31.852 512 HA3 GLY 65 HA3 GLY 65 7.656 0.491 -32.428 513 H SER 66 H SER 66 6.653 2.494 -32.949 514 HA SER 66 HA SER 66 5.203 3.845 -30.700 515 HB2 SER 66 HB2 SER 66 6.329 5.154 -33.201 516 HB3 SER 66 HB3 SER 66 5.513 5.965 -31.860 517 HG SER 66 HG SER 66 7.779 6.116 -31.691 518 H GLY 67 H GLY 67 4.631 1.954 -33.388 519 HA2 GLY 67 HA2 GLY 67 2.300 3.481 -34.418 520 HA3 GLY 67 HA3 GLY 67 3.092 2.108 -35.168 521 H LYS 68 H LYS 68 2.839 0.858 -32.292 522 HA LYS 68 HA LYS 68 -0.055 0.149 -32.247 523 HB2 LYS 68 HB2 LYS 68 0.175 -2.082 -32.621 524 HB3 LYS 68 HB3 LYS 68 1.301 -1.409 -33.780 525 HG2 LYS 68 HG2 LYS 68 1.903 -2.798 -31.155 526 HG3 LYS 68 HG3 LYS 68 2.240 -3.373 -32.785 527 HD2 LYS 68 HD2 LYS 68 3.803 -1.200 -32.888 528 HD3 LYS 68 HD3 LYS 68 3.679 -1.283 -31.133 529 HE2 LYS 68 HE2 LYS 68 5.649 -2.480 -31.644 530 HE3 LYS 68 HE3 LYS 68 4.452 -3.712 -31.273 531 HZ1 LYS 68 HZ1 LYS 68 5.244 -2.871 -34.009 532 HZ2 LYS 68 HZ2 LYS 68 5.732 -4.232 -33.263 533 HZ3 LYS 68 HZ3 LYS 68 4.166 -4.050 -33.667 534 H SER 69 H SER 69 2.666 0.935 -30.465 535 HA SER 69 HA SER 69 2.089 -0.534 -28.020 536 HB2 SER 69 HB2 SER 69 3.921 1.023 -27.168 537 HB3 SER 69 HB3 SER 69 4.371 -0.006 -28.537 538 HG SER 69 HG SER 69 5.019 2.069 -29.005 539 H THR 70 H THR 70 0.506 2.018 -29.453 540 HA THR 70 HA THR 70 0.359 4.113 -27.699 541 HB THR 70 HB THR 70 -2.250 3.229 -28.852 542 HG1 THR 70 HG1 THR 70 -1.519 3.913 -30.902 543 HG21 THR 70 HG21 THR 70 -2.408 5.582 -29.503 544 HG22 THR 70 HG22 THR 70 -1.977 5.469 -27.795 545 HG23 THR 70 HG23 THR 70 -0.724 5.862 -28.995 546 H LEU 71 H LEU 71 -1.542 1.114 -27.381 547 HA LEU 71 HA LEU 71 -3.284 1.856 -25.326 548 HB2 LEU 71 HB2 LEU 71 -1.958 -0.852 -25.634 549 HB3 LEU 71 HB3 LEU 71 -3.535 -0.478 -24.941 550 HG LEU 71 HG LEU 71 -4.241 -1.320 -26.873 551 HD11 LEU 71 HD11 LEU 71 -3.679 1.444 -28.041 552 HD12 LEU 71 HD12 LEU 71 -4.944 0.309 -28.478 553 HD13 LEU 71 HD13 LEU 71 -4.963 1.092 -26.873 554 HD21 LEU 71 HD21 LEU 71 -2.019 -1.870 -27.762 555 HD22 LEU 71 HD22 LEU 71 -3.149 -1.359 -29.004 556 HD23 LEU 71 HD23 LEU 71 -1.897 -0.231 -28.457 557 H ALA 72 H ALA 72 0.125 0.986 -25.055 558 HA ALA 72 HA ALA 72 0.207 0.748 -22.198 559 HB1 ALA 72 HB1 ALA 72 1.931 -0.239 -23.656 560 HB2 ALA 72 HB2 ALA 72 2.421 1.376 -24.212 561 HB3 ALA 72 HB3 ALA 72 2.660 0.914 -22.525 562 H LYS 73 H LYS 73 0.999 3.504 -24.416 563 HA LYS 73 HA LYS 73 1.398 5.340 -22.218 564 HB2 LYS 73 HB2 LYS 73 1.377 7.161 -23.759 565 HB3 LYS 73 HB3 LYS 73 2.441 5.886 -24.321 566 HG2 LYS 73 HG2 LYS 73 1.199 5.445 -26.180 567 HG3 LYS 73 HG3 LYS 73 -0.348 5.865 -25.403 568 HD2 LYS 73 HD2 LYS 73 1.604 8.037 -26.096 569 HD3 LYS 73 HD3 LYS 73 0.472 7.359 -27.283 570 HE2 LYS 73 HE2 LYS 73 -1.427 7.769 -25.742 571 HE3 LYS 73 HE3 LYS 73 -0.352 8.496 -24.572 572 HZ1 LYS 73 HZ1 LYS 73 -1.429 10.186 -25.966 573 HZ2 LYS 73 HZ2 LYS 73 0.182 10.222 -26.233 574 HZ3 LYS 73 HZ3 LYS 73 -0.815 9.530 -27.320 575 H ILE 74 H ILE 74 -1.535 4.353 -23.928 576 HA ILE 74 HA ILE 74 -3.228 6.425 -22.926 577 HB ILE 74 HB ILE 74 -3.866 3.587 -23.796 578 HG12 ILE 74 HG12 ILE 74 -4.525 6.241 -25.150 579 HG13 ILE 74 HG13 ILE 74 -3.041 5.375 -25.480 580 HG21 ILE 74 HG21 ILE 74 -5.859 5.796 -23.102 581 HG22 ILE 74 HG22 ILE 74 -6.255 4.233 -23.841 582 HG23 ILE 74 HG23 ILE 74 -5.644 4.283 -22.205 583 HD11 ILE 74 HD11 ILE 74 -5.864 4.402 -26.069 584 HD12 ILE 74 HD12 ILE 74 -4.598 4.847 -27.219 585 HD13 ILE 74 HD13 ILE 74 -4.431 3.377 -26.243 586 H VAL 75 H VAL 75 -2.590 3.093 -21.572 587 HA VAL 75 HA VAL 75 -3.966 3.501 -19.113 588 HB VAL 75 HB VAL 75 -1.474 1.846 -19.697 589 HG11 VAL 75 HG11 VAL 75 -1.733 2.243 -17.225 590 HG12 VAL 75 HG12 VAL 75 -3.390 1.626 -17.304 591 HG13 VAL 75 HG13 VAL 75 -2.026 0.559 -17.676 592 HG21 VAL 75 HG21 VAL 75 -3.013 -0.076 -19.691 593 HG22 VAL 75 HG22 VAL 75 -4.383 1.054 -19.533 594 HG23 VAL 75 HG23 VAL 75 -3.336 1.052 -20.992 595 H LYS 76 H LYS 76 -0.508 4.087 -19.892 596 HA LYS 76 HA LYS 76 0.255 5.142 -17.379 597 HB2 LYS 76 HB2 LYS 76 1.865 4.499 -19.024 598 HB3 LYS 76 HB3 LYS 76 1.302 5.708 -20.169 599 HG2 LYS 76 HG2 LYS 76 2.419 7.426 -19.180 600 HG3 LYS 76 HG3 LYS 76 2.194 6.820 -17.543 601 HD2 LYS 76 HD2 LYS 76 4.576 6.831 -18.185 602 HD3 LYS 76 HD3 LYS 76 3.983 5.230 -17.764 603 HE2 LYS 76 HE2 LYS 76 5.378 4.886 -19.576 604 HE3 LYS 76 HE3 LYS 76 3.749 4.637 -20.137 605 HZ1 LYS 76 HZ1 LYS 76 3.845 6.936 -21.099 606 HZ2 LYS 76 HZ2 LYS 76 5.418 7.039 -20.641 607 HZ3 LYS 76 HZ3 LYS 76 4.954 5.907 -21.716 608 H LYS 77 H LYS 77 -1.384 6.806 -19.996 609 HA LYS 77 HA LYS 77 -1.231 9.424 -18.649 610 HB2 LYS 77 HB2 LYS 77 -2.778 8.414 -21.063 611 HB3 LYS 77 HB3 LYS 77 -3.030 10.023 -20.407 612 HG2 LYS 77 HG2 LYS 77 -0.306 9.009 -21.318 613 HG3 LYS 77 HG3 LYS 77 -1.432 9.922 -22.329 614 HD2 LYS 77 HD2 LYS 77 -1.343 11.802 -20.663 615 HD3 LYS 77 HD3 LYS 77 -0.101 10.910 -19.758 616 HE2 LYS 77 HE2 LYS 77 1.345 10.875 -21.761 617 HE3 LYS 77 HE3 LYS 77 0.118 11.754 -22.674 618 HZ1 LYS 77 HZ1 LYS 77 0.391 13.620 -21.143 619 HZ2 LYS 77 HZ2 LYS 77 1.512 12.807 -20.269 620 HZ3 LYS 77 HZ3 LYS 77 1.830 13.245 -21.806 621 H ILE 78 H ILE 78 -3.710 6.852 -18.734 622 HA ILE 78 HA ILE 78 -5.572 8.365 -17.120 623 HB ILE 78 HB ILE 78 -5.286 5.362 -17.403 624 HG12 ILE 78 HG12 ILE 78 -6.436 7.455 -19.107 625 HG13 ILE 78 HG13 ILE 78 -5.962 5.801 -19.440 626 HG21 ILE 78 HG21 ILE 78 -7.492 7.032 -16.113 627 HG22 ILE 78 HG22 ILE 78 -7.587 5.281 -16.423 628 HG23 ILE 78 HG23 ILE 78 -6.419 5.874 -15.282 629 HD11 ILE 78 HD11 ILE 78 -8.137 4.997 -18.527 630 HD12 ILE 78 HD12 ILE 78 -8.630 6.686 -18.290 631 HD13 ILE 78 HD13 ILE 78 -8.311 6.079 -19.926 632 H ILE 79 H ILE 79 -2.818 6.230 -16.124 633 HA ILE 79 HA ILE 79 -3.586 6.625 -13.314 634 HB ILE 79 HB ILE 79 -1.231 5.066 -14.424 635 HG12 ILE 79 HG12 ILE 79 -3.290 4.104 -15.311 636 HG13 ILE 79 HG13 ILE 79 -2.599 3.060 -14.084 637 HG21 ILE 79 HG21 ILE 79 -0.802 5.407 -12.152 638 HG22 ILE 79 HG22 ILE 79 -2.523 5.363 -11.689 639 HG23 ILE 79 HG23 ILE 79 -1.684 3.873 -12.100 640 HD11 ILE 79 HD11 ILE 79 -4.960 4.954 -13.619 641 HD12 ILE 79 HD12 ILE 79 -5.047 3.228 -13.933 642 HD13 ILE 79 HD13 ILE 79 -4.281 3.812 -12.436 643 H ALA 80 H ALA 80 -1.229 8.037 -15.480 644 HA ALA 80 HA ALA 80 0.580 9.045 -13.685 645 HB1 ALA 80 HB1 ALA 80 0.893 10.929 -15.343 646 HB2 ALA 80 HB2 ALA 80 0.942 9.317 -16.058 647 HB3 ALA 80 HB3 ALA 80 -0.525 10.315 -16.221 648 H ARG 81 H ARG 81 -2.653 10.370 -14.478 649 HA ARG 81 HA ARG 81 -2.345 12.500 -12.445 650 HB2 ARG 81 HB2 ARG 81 -4.116 13.610 -13.290 651 HB3 ARG 81 HB3 ARG 81 -3.396 12.935 -14.743 652 HG2 ARG 81 HG2 ARG 81 -5.737 11.621 -13.292 653 HG3 ARG 81 HG3 ARG 81 -5.979 12.923 -14.448 654 HD2 ARG 81 HD2 ARG 81 -4.537 10.343 -15.105 655 HD3 ARG 81 HD3 ARG 81 -6.271 10.532 -15.302 656 HE ARG 81 HE ARG 81 -4.225 11.409 -17.081 657 HH11 ARG 81 HH11 ARG 81 -7.445 12.353 -16.080 658 HH12 ARG 81 HH12 ARG 81 -7.746 13.219 -17.572 659 HH21 ARG 81 HH21 ARG 81 -4.604 12.634 -18.870 660 HH22 ARG 81 HH22 ARG 81 -6.168 13.367 -19.115 661 H ALA 82 H ALA 82 -3.730 9.301 -12.625 662 HA ALA 82 HA ALA 82 -5.704 9.523 -10.575 663 HB1 ALA 82 HB1 ALA 82 -3.858 7.175 -11.164 664 HB2 ALA 82 HB2 ALA 82 -5.426 7.110 -10.354 665 HB3 ALA 82 HB3 ALA 82 -5.359 7.545 -12.081 666 H GLY 83 H GLY 83 -2.270 9.562 -10.397 667 HA2 GLY 83 HA2 GLY 83 -1.388 10.760 -8.426 668 HA3 GLY 83 HA3 GLY 83 -2.431 9.767 -7.395 669 H ALA 84 H ALA 84 -0.670 8.242 -10.009 670 HA ALA 84 HA ALA 84 1.270 6.998 -8.094 671 HB1 ALA 84 HB1 ALA 84 -0.538 5.483 -8.294 672 HB2 ALA 84 HB2 ALA 84 -0.671 5.751 -10.042 673 HB3 ALA 84 HB3 ALA 84 0.724 4.873 -9.402 674 H LYS 85 H LYS 85 2.794 5.523 -9.436 675 HA LYS 85 HA LYS 85 3.829 7.104 -11.759 676 HB2 LYS 85 HB2 LYS 85 6.035 6.563 -11.136 677 HB3 LYS 85 HB3 LYS 85 5.228 7.286 -9.740 678 HG2 LYS 85 HG2 LYS 85 4.831 4.995 -8.811 679 HG3 LYS 85 HG3 LYS 85 5.618 4.302 -10.188 680 HD2 LYS 85 HD2 LYS 85 6.786 5.917 -7.880 681 HD3 LYS 85 HD3 LYS 85 7.221 4.308 -8.417 682 HE2 LYS 85 HE2 LYS 85 9.067 5.380 -9.161 683 HE3 LYS 85 HE3 LYS 85 8.085 5.608 -10.599 684 HZ1 LYS 85 HZ1 LYS 85 8.543 7.582 -8.416 685 HZ2 LYS 85 HZ2 LYS 85 9.155 7.660 -9.901 686 HZ3 LYS 85 HZ3 LYS 85 7.558 7.868 -9.690 687 H THR 86 H THR 86 3.940 6.249 -13.521 688 HA THR 86 HA THR 86 3.619 3.321 -13.966 689 HB THR 86 HB THR 86 2.825 5.364 -16.035 690 HG1 THR 86 HG1 THR 86 1.094 6.117 -15.071 691 HG21 THR 86 HG21 THR 86 0.591 3.890 -15.768 692 HG22 THR 86 HG22 THR 86 1.972 3.496 -16.841 693 HG23 THR 86 HG23 THR 86 1.797 2.715 -15.264 694 H ILE 87 H ILE 87 4.758 2.235 -15.364 695 HA ILE 87 HA ILE 87 6.815 3.716 -16.966 696 HB ILE 87 HB ILE 87 8.469 1.945 -16.306 697 HG12 ILE 87 HG12 ILE 87 6.886 0.341 -15.359 698 HG13 ILE 87 HG13 ILE 87 8.344 0.670 -14.404 699 HG21 ILE 87 HG21 ILE 87 7.585 3.979 -14.238 700 HG22 ILE 87 HG22 ILE 87 9.130 3.091 -14.231 701 HG23 ILE 87 HG23 ILE 87 8.739 4.197 -15.562 702 HD11 ILE 87 HD11 ILE 87 6.601 2.356 -13.175 703 HD12 ILE 87 HD12 ILE 87 5.490 1.172 -13.824 704 HD13 ILE 87 HD13 ILE 87 6.789 0.623 -12.730 705 H GLU 88 H GLU 88 7.884 2.431 -18.531 706 HA GLU 88 HA GLU 88 6.033 0.435 -19.780 707 HB2 GLU 88 HB2 GLU 88 7.370 2.822 -21.027 708 HB3 GLU 88 HB3 GLU 88 7.082 1.368 -21.989 709 HG2 GLU 88 HG2 GLU 88 4.685 1.421 -21.403 710 HG3 GLU 88 HG3 GLU 88 4.939 2.902 -20.498 711 H VAL 89 H VAL 89 7.082 -1.350 -19.064 712 HA VAL 89 HA VAL 89 9.961 -1.676 -19.528 713 HB VAL 89 HB VAL 89 9.986 -3.512 -18.209 714 HG11 VAL 89 HG11 VAL 89 8.129 -1.433 -16.929 715 HG12 VAL 89 HG12 VAL 89 9.090 -2.603 -16.038 716 HG13 VAL 89 HG13 VAL 89 9.907 -1.375 -17.013 717 HG21 VAL 89 HG21 VAL 89 7.989 -4.817 -18.639 718 HG22 VAL 89 HG22 VAL 89 7.977 -4.401 -16.938 719 HG23 VAL 89 HG23 VAL 89 6.934 -3.501 -18.062 720 H THR 90 H THR 90 9.714 -1.398 -21.713 721 HA THR 90 HA THR 90 8.368 -2.952 -23.543 722 HB THR 90 HB THR 90 11.132 -1.757 -24.009 723 HG1 THR 90 HG1 THR 90 10.082 0.214 -24.245 724 HG21 THR 90 HG21 THR 90 10.056 -1.025 -26.138 725 HG22 THR 90 HG22 THR 90 10.087 -2.782 -25.969 726 HG23 THR 90 HG23 THR 90 8.575 -1.894 -25.649 727 H THR 91 H THR 91 8.889 -4.809 -24.748 728 HA THR 91 HA THR 91 10.656 -6.779 -23.629 729 HB THR 91 HB THR 91 10.292 -8.174 -25.506 730 HG1 THR 91 HG1 THR 91 9.217 -5.915 -26.815 731 HG21 THR 91 HG21 THR 91 7.677 -6.705 -25.026 732 HG22 THR 91 HG22 THR 91 7.901 -8.365 -25.603 733 HG23 THR 91 HG23 THR 91 8.383 -7.938 -23.951 734 H GLU 92 H GLU 92 11.377 -4.194 -25.764 735 HA GLU 92 HA GLU 92 13.917 -5.059 -26.812 736 HB2 GLU 92 HB2 GLU 92 12.278 -3.142 -27.502 737 HB3 GLU 92 HB3 GLU 92 13.103 -2.188 -26.274 738 HG2 GLU 92 HG2 GLU 92 15.229 -2.445 -27.493 739 HG3 GLU 92 HG3 GLU 92 14.488 -3.598 -28.597 740 H GLU 93 H GLU 93 15.949 -3.613 -26.225 741 HA GLU 93 HA GLU 93 16.881 -4.374 -23.656 742 HB2 GLU 93 HB2 GLU 93 18.014 -2.369 -25.644 743 HB3 GLU 93 HB3 GLU 93 18.891 -3.058 -24.272 744 HG2 GLU 93 HG2 GLU 93 18.541 -5.344 -25.225 745 HG3 GLU 93 HG3 GLU 93 17.787 -4.620 -26.641 746 H GLU 94 H GLU 94 14.763 -1.841 -24.122 747 HA GLU 94 HA GLU 94 15.775 -0.015 -22.042 748 HB2 GLU 94 HB2 GLU 94 13.048 -0.217 -23.363 749 HB3 GLU 94 HB3 GLU 94 13.546 1.058 -22.261 750 HG2 GLU 94 HG2 GLU 94 14.695 0.527 -25.029 751 HG3 GLU 94 HG3 GLU 94 13.557 1.783 -24.583 752 H LEU 95 H LEU 95 14.186 -3.057 -21.993 753 HA LEU 95 HA LEU 95 12.324 -3.150 -20.051 754 HB2 LEU 95 HB2 LEU 95 13.286 -5.054 -21.360 755 HB3 LEU 95 HB3 LEU 95 14.667 -5.065 -20.285 756 HG LEU 95 HG LEU 95 12.961 -5.462 -18.360 757 HD11 LEU 95 HD11 LEU 95 11.208 -6.295 -20.717 758 HD12 LEU 95 HD12 LEU 95 10.829 -6.475 -18.991 759 HD13 LEU 95 HD13 LEU 95 10.917 -4.861 -19.726 760 HD21 LEU 95 HD21 LEU 95 14.460 -7.186 -19.229 761 HD22 LEU 95 HD22 LEU 95 12.867 -7.874 -18.847 762 HD23 LEU 95 HD23 LEU 95 13.319 -7.545 -20.542 763 H ARG 96 H ARG 96 15.755 -3.625 -19.112 764 HA ARG 96 HA ARG 96 15.291 -3.577 -16.310 765 HB2 ARG 96 HB2 ARG 96 17.251 -4.570 -17.511 766 HB3 ARG 96 HB3 ARG 96 17.865 -2.945 -17.824 767 HG2 ARG 96 HG2 ARG 96 18.118 -2.551 -15.401 768 HG3 ARG 96 HG3 ARG 96 17.403 -4.141 -15.058 769 HD2 ARG 96 HD2 ARG 96 19.258 -5.235 -16.276 770 HD3 ARG 96 HD3 ARG 96 19.969 -3.652 -16.630 771 HE ARG 96 HE ARG 96 19.638 -3.835 -13.817 772 HH11 ARG 96 HH11 ARG 96 21.619 -5.376 -16.270 773 HH12 ARG 96 HH12 ARG 96 22.896 -5.751 -15.135 774 HH21 ARG 96 HH21 ARG 96 21.317 -4.334 -12.424 775 HH22 ARG 96 HH22 ARG 96 22.726 -5.170 -13.023 776 H LYS 97 H LYS 97 16.191 -0.963 -18.487 777 HA LYS 97 HA LYS 97 16.740 1.061 -16.525 778 HB2 LYS 97 HB2 LYS 97 15.636 1.657 -19.293 779 HB3 LYS 97 HB3 LYS 97 16.738 2.616 -18.314 780 HG2 LYS 97 HG2 LYS 97 18.460 0.740 -18.638 781 HG3 LYS 97 HG3 LYS 97 17.340 0.040 -19.822 782 HD2 LYS 97 HD2 LYS 97 17.412 2.241 -21.083 783 HD3 LYS 97 HD3 LYS 97 18.617 2.799 -19.924 784 HE2 LYS 97 HE2 LYS 97 19.833 2.100 -21.805 785 HE3 LYS 97 HE3 LYS 97 20.077 0.838 -20.600 786 HZ1 LYS 97 HZ1 LYS 97 18.398 -0.506 -21.791 787 HZ2 LYS 97 HZ2 LYS 97 18.114 0.725 -22.822 788 HZ3 LYS 97 HZ3 LYS 97 19.551 -0.039 -22.836 789 H ALA 98 H ALA 98 13.770 0.298 -18.353 790 HA ALA 98 HA ALA 98 12.089 2.255 -17.122 791 HB1 ALA 98 HB1 ALA 98 11.483 -0.439 -18.390 792 HB2 ALA 98 HB2 ALA 98 10.277 0.793 -17.994 793 HB3 ALA 98 HB3 ALA 98 11.526 1.140 -19.224 794 H VAL 99 H VAL 99 12.620 -1.242 -16.283 795 HA VAL 99 HA VAL 99 10.732 -1.319 -14.178 796 HB VAL 99 HB VAL 99 13.358 -2.832 -14.541 797 HG11 VAL 99 HG11 VAL 99 11.131 -3.415 -12.558 798 HG12 VAL 99 HG12 VAL 99 12.474 -4.511 -12.944 799 HG13 VAL 99 HG13 VAL 99 12.816 -2.969 -12.167 800 HG21 VAL 99 HG21 VAL 99 11.473 -3.275 -16.223 801 HG22 VAL 99 HG22 VAL 99 12.045 -4.687 -15.322 802 HG23 VAL 99 HG23 VAL 99 10.524 -3.901 -14.861 803 H ALA 100 H ALA 100 14.215 -0.532 -14.108 804 HA ALA 100 HA ALA 100 14.403 0.010 -11.338 805 HB1 ALA 100 HB1 ALA 100 16.010 1.172 -13.644 806 HB2 ALA 100 HB2 ALA 100 16.468 1.206 -11.925 807 HB3 ALA 100 HB3 ALA 100 16.337 -0.349 -12.777 808 H LYS 101 H LYS 101 13.452 2.171 -14.005 809 HA LYS 101 HA LYS 101 13.383 4.620 -12.656 810 HB2 LYS 101 HB2 LYS 101 12.909 3.817 -15.225 811 HB3 LYS 101 HB3 LYS 101 11.254 4.042 -14.704 812 HG2 LYS 101 HG2 LYS 101 11.888 6.097 -15.675 813 HG3 LYS 101 HG3 LYS 101 11.943 6.397 -13.942 814 HD2 LYS 101 HD2 LYS 101 13.903 7.404 -14.884 815 HD3 LYS 101 HD3 LYS 101 14.424 5.987 -13.988 816 HE2 LYS 101 HE2 LYS 101 15.684 6.042 -15.987 817 HE3 LYS 101 HE3 LYS 101 14.554 4.700 -16.136 818 HZ1 LYS 101 HZ1 LYS 101 14.662 6.055 -18.168 819 HZ2 LYS 101 HZ2 LYS 101 13.162 6.160 -17.543 820 HZ3 LYS 101 HZ3 LYS 101 14.215 7.392 -17.356 821 H ALA 102 H ALA 102 11.131 2.012 -12.146 822 HA ALA 102 HA ALA 102 9.872 3.771 -10.081 823 HB1 ALA 102 HB1 ALA 102 7.655 2.817 -10.692 824 HB2 ALA 102 HB2 ALA 102 8.376 3.799 -11.993 825 HB3 ALA 102 HB3 ALA 102 8.477 2.012 -12.060 826 H ARG 103 H ARG 103 9.921 0.239 -11.120 827 HA ARG 103 HA ARG 103 9.064 -0.630 -8.490 828 HB2 ARG 103 HB2 ARG 103 8.817 -2.010 -10.502 829 HB3 ARG 103 HB3 ARG 103 10.580 -2.242 -10.551 830 HG2 ARG 103 HG2 ARG 103 10.603 -3.455 -8.514 831 HG3 ARG 103 HG3 ARG 103 9.022 -2.832 -8.011 832 HD2 ARG 103 HD2 ARG 103 7.932 -4.115 -9.775 833 HD3 ARG 103 HD3 ARG 103 9.507 -4.800 -10.250 834 HE ARG 103 HE ARG 103 8.914 -5.124 -7.403 835 HH11 ARG 103 HH11 ARG 103 8.308 -6.772 -10.494 836 HH12 ARG 103 HH12 ARG 103 8.123 -8.299 -9.616 837 HH21 ARG 103 HH21 ARG 103 8.572 -7.169 -6.520 838 HH22 ARG 103 HH22 ARG 103 8.233 -8.481 -7.645 839 H GLY 104 H GLY 104 12.092 0.331 -9.766 840 HA2 GLY 104 HA2 GLY 104 13.643 -0.473 -7.316 841 HA3 GLY 104 HA3 GLY 104 14.300 0.460 -8.674 842 H SER 105 H SER 105 12.791 2.503 -9.076 843 HA SER 105 HA SER 105 13.908 4.302 -7.249 844 HB2 SER 105 HB2 SER 105 11.683 4.763 -9.255 845 HB3 SER 105 HB3 SER 105 12.533 6.044 -8.376 846 HG SER 105 HG SER 105 13.788 4.123 -10.054 847 H TRP 106 H TRP 106 10.510 3.099 -7.272 848 HA TRP 106 HA TRP 106 9.343 4.908 -5.536 849 HB2 TRP 106 HB2 TRP 106 8.306 2.993 -6.788 850 HB3 TRP 106 HB3 TRP 106 8.891 1.900 -5.561 851 HD1 TRP 106 HD1 TRP 106 6.072 4.289 -6.269 852 HE1 TRP 106 HE1 TRP 106 4.472 4.460 -4.292 853 HE3 TRP 106 HE3 TRP 106 8.728 1.613 -2.808 854 HZ2 TRP 106 HZ2 TRP 106 4.524 3.909 -1.454 855 HZ3 TRP 106 HZ3 TRP 106 7.954 1.479 -0.468 856 HH2 TRP 106 HH2 TRP 106 5.861 2.640 0.232 857 H SER 107 H SER 107 11.146 1.969 -4.494 858 HA SER 107 HA SER 107 10.775 2.522 -1.674 859 HB2 SER 107 HB2 SER 107 12.768 0.700 -3.092 860 HB3 SER 107 HB3 SER 107 12.409 0.697 -1.357 861 HG SER 107 HG SER 107 11.202 -0.882 -2.467 862 H LEU 108 H LEU 108 13.032 3.552 -4.100 863 HA LEU 108 HA LEU 108 15.031 4.606 -2.291 864 HB2 LEU 108 HB2 LEU 108 14.697 3.980 -5.213 865 HB3 LEU 108 HB3 LEU 108 15.610 5.429 -4.886 866 HG LEU 108 HG LEU 108 17.051 3.535 -5.143 867 HD11 LEU 108 HD11 LEU 108 18.431 3.721 -3.210 868 HD12 LEU 108 HD12 LEU 108 17.649 5.299 -3.458 869 HD13 LEU 108 HD13 LEU 108 17.061 4.204 -2.186 870 HD21 LEU 108 HD21 LEU 108 15.721 2.236 -2.728 871 HD22 LEU 108 HD22 LEU 108 15.512 1.734 -4.424 872 HD23 LEU 108 HD23 LEU 108 17.106 1.617 -3.646 873 H GLU 109 H GLU 109 12.068 5.703 -3.608 874 HA GLU 109 HA GLU 109 12.698 8.601 -3.384 875 HB2 GLU 109 HB2 GLU 109 10.279 7.113 -4.479 876 HB3 GLU 109 HB3 GLU 109 10.462 8.851 -4.463 877 HG2 GLU 109 HG2 GLU 109 12.776 7.735 -5.792 878 HG3 GLU 109 HG3 GLU 109 11.336 6.956 -6.430 879 H HIS 110 H HIS 110 10.169 6.286 -2.257 880 HA HIS 110 HA HIS 110 9.026 8.314 -0.445 881 HB2 HIS 110 HB2 HIS 110 8.250 5.442 -1.075 882 HB3 HIS 110 HB3 HIS 110 7.390 6.487 0.046 883 HD2 HIS 110 HD2 HIS 110 7.905 5.909 -3.685 884 HE1 HIS 110 HE1 HIS 110 5.042 9.044 -3.366 885 HE2 HIS 110 HE2 HIS 110 6.168 7.422 -4.965 886 H HIS 111 H HIS 111 10.669 5.252 -0.188 887 HA HIS 111 HA HIS 111 11.552 3.973 1.416 888 HB2 HIS 111 HB2 HIS 111 13.594 4.833 2.138 889 HB3 HIS 111 HB3 HIS 111 13.213 5.593 0.602 890 HD2 HIS 111 HD2 HIS 111 12.618 8.222 0.629 891 HE1 HIS 111 HE1 HIS 111 13.854 9.011 4.626 892 HE2 HIS 111 HE2 HIS 111 13.183 10.071 2.419 893 H HIS 112 H HIS 112 9.483 6.155 2.977 894 HA HIS 112 HA HIS 112 9.758 4.782 5.621 895 HB2 HIS 112 HB2 HIS 112 11.230 6.825 5.481 896 HB3 HIS 112 HB3 HIS 112 9.783 7.790 5.222 897 HD2 HIS 112 HD2 HIS 112 8.069 7.973 7.322 898 HE1 HIS 112 HE1 HIS 112 10.686 6.395 10.294 899 HE2 HIS 112 HE2 HIS 112 8.495 7.625 9.913 900 H HIS 113 H HIS 113 7.956 4.982 6.977 901 HA HIS 113 HA HIS 113 5.504 6.324 6.060 902 HB2 HIS 113 HB2 HIS 113 5.414 4.034 5.065 903 HB3 HIS 113 HB3 HIS 113 5.589 3.341 6.680 904 HD2 HIS 113 HD2 HIS 113 3.304 2.653 7.686 905 HE1 HIS 113 HE1 HIS 113 0.816 5.693 6.047 906 HE2 HIS 113 HE2 HIS 113 0.881 3.704 7.587 907 H HIS 114 H HIS 114 4.064 6.799 7.789 908 HA HIS 114 HA HIS 114 5.062 6.254 10.551 909 HB2 HIS 114 HB2 HIS 114 6.191 8.261 9.399 910 HB3 HIS 114 HB3 HIS 114 4.639 9.075 9.517 911 HD2 HIS 114 HD2 HIS 114 4.327 10.440 11.727 912 HE1 HIS 114 HE1 HIS 114 7.291 8.577 14.149 913 HE2 HIS 114 HE2 HIS 114 5.573 10.446 14.044 914 H HIS 115 H HIS 115 2.257 6.327 8.731 915 HA HIS 115 HA HIS 115 0.574 7.129 11.073 916 HB2 HIS 115 HB2 HIS 115 -0.863 8.442 9.574 917 HB3 HIS 115 HB3 HIS 115 0.759 9.085 9.727 918 HD2 HIS 115 HD2 HIS 115 -1.711 7.849 7.142 919 HE1 HIS 115 HE1 HIS 115 1.830 8.850 4.999 920 HE2 HIS 115 HE2 HIS 115 -0.626 8.242 4.773 Start of MODEL 8 1 H1 MET 1 H1 MET 1 2.155 1.283 0.039 2 H2 MET 1 H2 MET 1 1.488 -0.207 0.104 3 H3 MET 1 H3 MET 1 0.777 0.978 -0.777 4 HA MET 1 HA MET 1 2.630 1.049 -2.306 5 HB2 MET 1 HB2 MET 1 4.303 0.396 -0.548 6 HB3 MET 1 HB3 MET 1 3.745 -1.266 -0.677 7 HG2 MET 1 HG2 MET 1 4.388 -1.181 -3.145 8 HG3 MET 1 HG3 MET 1 5.097 0.404 -2.842 9 HE1 MET 1 HE1 MET 1 8.210 -1.977 -3.339 10 HE2 MET 1 HE2 MET 1 6.672 -1.887 -4.212 11 HE3 MET 1 HE3 MET 1 7.522 -0.396 -3.772 12 H ARG 2 H ARG 2 0.390 0.493 -3.256 13 HA ARG 2 HA ARG 2 -0.012 -2.366 -3.840 14 HB2 ARG 2 HB2 ARG 2 -1.959 -0.747 -3.601 15 HB3 ARG 2 HB3 ARG 2 -1.436 0.001 -5.091 16 HG2 ARG 2 HG2 ARG 2 -1.821 -1.999 -6.384 17 HG3 ARG 2 HG3 ARG 2 -1.854 -3.027 -4.965 18 HD2 ARG 2 HD2 ARG 2 -3.984 -1.087 -5.859 19 HD3 ARG 2 HD3 ARG 2 -4.061 -2.847 -5.938 20 HE ARG 2 HE ARG 2 -4.767 -1.178 -3.744 21 HH11 ARG 2 HH11 ARG 2 -3.364 -4.384 -4.262 22 HH12 ARG 2 HH12 ARG 2 -3.422 -4.784 -2.586 23 HH21 ARG 2 HH21 ARG 2 -5.108 -1.917 -1.647 24 HH22 ARG 2 HH22 ARG 2 -4.608 -3.544 -1.215 25 H VAL 3 H VAL 3 0.357 -3.380 -5.709 26 HA VAL 3 HA VAL 3 2.044 -2.017 -7.771 27 HB VAL 3 HB VAL 3 2.194 -4.847 -6.662 28 HG11 VAL 3 HG11 VAL 3 3.776 -3.559 -8.945 29 HG12 VAL 3 HG12 VAL 3 4.192 -5.101 -8.175 30 HG13 VAL 3 HG13 VAL 3 2.689 -4.958 -9.081 31 HG21 VAL 3 HG21 VAL 3 4.513 -4.151 -6.050 32 HG22 VAL 3 HG22 VAL 3 4.144 -2.499 -6.604 33 HG23 VAL 3 HG23 VAL 3 3.288 -3.193 -5.217 34 H ILE 4 H ILE 4 1.580 -2.378 -9.890 35 HA ILE 4 HA ILE 4 -0.456 -4.409 -10.661 36 HB ILE 4 HB ILE 4 -0.603 -1.460 -11.174 37 HG12 ILE 4 HG12 ILE 4 -2.323 -3.676 -10.012 38 HG13 ILE 4 HG13 ILE 4 -1.900 -2.141 -9.297 39 HG21 ILE 4 HG21 ILE 4 -2.030 -3.581 -12.816 40 HG22 ILE 4 HG22 ILE 4 -2.270 -1.827 -12.928 41 HG23 ILE 4 HG23 ILE 4 -0.718 -2.490 -13.389 42 HD11 ILE 4 HD11 ILE 4 -4.243 -2.065 -9.809 43 HD12 ILE 4 HD12 ILE 4 -3.404 -1.077 -11.043 44 HD13 ILE 4 HD13 ILE 4 -3.980 -2.701 -11.448 45 H VAL 5 H VAL 5 -0.147 -5.315 -12.539 46 HA VAL 5 HA VAL 5 2.065 -4.328 -14.252 47 HB VAL 5 HB VAL 5 1.613 -7.271 -13.725 48 HG11 VAL 5 HG11 VAL 5 2.421 -6.744 -16.017 49 HG12 VAL 5 HG12 VAL 5 3.755 -5.797 -15.316 50 HG13 VAL 5 HG13 VAL 5 3.669 -7.549 -15.051 51 HG21 VAL 5 HG21 VAL 5 3.877 -5.449 -12.801 52 HG22 VAL 5 HG22 VAL 5 2.682 -6.264 -11.763 53 HG23 VAL 5 HG23 VAL 5 3.854 -7.217 -12.666 54 H VAL 6 H VAL 6 1.137 -3.592 -16.009 55 HA VAL 6 HA VAL 6 -1.247 -5.010 -17.148 56 HB VAL 6 HB VAL 6 -0.162 -2.283 -17.874 57 HG11 VAL 6 HG11 VAL 6 -1.338 -3.265 -19.751 58 HG12 VAL 6 HG12 VAL 6 -2.678 -3.801 -18.694 59 HG13 VAL 6 HG13 VAL 6 -2.392 -2.074 -18.998 60 HG21 VAL 6 HG21 VAL 6 -2.516 -3.139 -16.114 61 HG22 VAL 6 HG22 VAL 6 -1.117 -2.152 -15.636 62 HG23 VAL 6 HG23 VAL 6 -2.311 -1.488 -16.745 63 H ILE 7 H ILE 7 -1.106 -5.852 -19.239 64 HA ILE 7 HA ILE 7 1.563 -5.738 -20.610 65 HB ILE 7 HB ILE 7 -0.166 -8.229 -20.353 66 HG12 ILE 7 HG12 ILE 7 2.058 -9.049 -19.165 67 HG13 ILE 7 HG13 ILE 7 2.285 -7.342 -18.793 68 HG21 ILE 7 HG21 ILE 7 1.873 -9.344 -21.349 69 HG22 ILE 7 HG22 ILE 7 0.983 -8.295 -22.427 70 HG23 ILE 7 HG23 ILE 7 2.516 -7.731 -21.695 71 HD11 ILE 7 HD11 ILE 7 -0.214 -8.965 -18.067 72 HD12 ILE 7 HD12 ILE 7 1.183 -8.752 -16.999 73 HD13 ILE 7 HD13 ILE 7 0.219 -7.350 -17.476 74 H VAL 8 H VAL 8 1.549 -5.560 -22.834 75 HA VAL 8 HA VAL 8 -0.993 -4.986 -24.186 76 HB VAL 8 HB VAL 8 1.837 -5.227 -25.273 77 HG11 VAL 8 HG11 VAL 8 0.234 -5.602 -27.105 78 HG12 VAL 8 HG12 VAL 8 -0.720 -4.200 -26.586 79 HG13 VAL 8 HG13 VAL 8 0.917 -3.988 -27.255 80 HG21 VAL 8 HG21 VAL 8 1.556 -3.314 -23.727 81 HG22 VAL 8 HG22 VAL 8 1.737 -2.749 -25.391 82 HG23 VAL 8 HG23 VAL 8 0.130 -2.774 -24.652 83 H GLY 9 H GLY 9 -2.330 -6.676 -24.452 84 HA2 GLY 9 HA2 GLY 9 -1.896 -8.642 -26.379 85 HA3 GLY 9 HA3 GLY 9 -1.548 -9.417 -24.840 86 HA PRO 10 HA PRO 10 -2.553 -11.399 -25.644 87 HB2 PRO 10 HB2 PRO 10 -4.252 -12.973 -27.059 88 HB3 PRO 10 HB3 PRO 10 -4.323 -12.846 -25.275 89 HG2 PRO 10 HG2 PRO 10 -6.002 -11.333 -27.311 90 HG3 PRO 10 HG3 PRO 10 -6.565 -12.253 -25.881 91 HD2 PRO 10 HD2 PRO 10 -6.199 -9.553 -25.803 92 HD3 PRO 10 HD3 PRO 10 -5.809 -10.585 -24.395 93 H SER 11 H SER 11 -1.788 -12.351 -27.674 94 HA SER 11 HA SER 11 -0.491 -11.899 -29.454 95 HB2 SER 11 HB2 SER 11 -1.620 -11.746 -31.572 96 HB3 SER 11 HB3 SER 11 -2.164 -13.059 -30.517 97 HG SER 11 HG SER 11 -3.522 -10.583 -30.786 98 H GLY 12 H GLY 12 0.487 -10.273 -28.562 99 HA2 GLY 12 HA2 GLY 12 0.657 -7.781 -30.113 100 HA3 GLY 12 HA3 GLY 12 0.186 -7.536 -28.419 101 H ALA 13 H ALA 13 1.727 -8.114 -26.732 102 HA ALA 13 HA ALA 13 4.547 -7.992 -27.394 103 HB1 ALA 13 HB1 ALA 13 4.833 -8.416 -24.981 104 HB2 ALA 13 HB2 ALA 13 3.633 -7.146 -25.269 105 HB3 ALA 13 HB3 ALA 13 3.101 -8.781 -24.824 106 H GLY 14 H GLY 14 2.232 -10.593 -26.973 107 HA2 GLY 14 HA2 GLY 14 3.534 -12.507 -28.538 108 HA3 GLY 14 HA3 GLY 14 4.008 -12.849 -26.874 109 H LYS 15 H LYS 15 2.832 -14.878 -27.283 110 HA LYS 15 HA LYS 15 -0.137 -14.651 -26.822 111 HB2 LYS 15 HB2 LYS 15 1.428 -16.865 -28.195 112 HB3 LYS 15 HB3 LYS 15 -0.313 -16.871 -27.878 113 HG2 LYS 15 HG2 LYS 15 -0.582 -14.845 -29.292 114 HG3 LYS 15 HG3 LYS 15 1.152 -14.861 -29.640 115 HD2 LYS 15 HD2 LYS 15 0.911 -17.139 -30.641 116 HD3 LYS 15 HD3 LYS 15 -0.844 -17.041 -30.375 117 HE2 LYS 15 HE2 LYS 15 -0.930 -15.007 -31.799 118 HE3 LYS 15 HE3 LYS 15 0.812 -15.100 -32.047 119 HZ1 LYS 15 HZ1 LYS 15 -1.126 -17.177 -32.910 120 HZ2 LYS 15 HZ2 LYS 15 -0.411 -16.100 -33.898 121 HZ3 LYS 15 HZ3 LYS 15 0.487 -17.237 -33.156 122 H THR 16 H THR 16 2.778 -16.075 -25.602 123 HA THR 16 HA THR 16 1.268 -17.261 -23.277 124 HB THR 16 HB THR 16 3.876 -18.300 -24.427 125 HG1 THR 16 HG1 THR 16 2.577 -19.902 -25.331 126 HG21 THR 16 HG21 THR 16 1.840 -19.476 -22.482 127 HG22 THR 16 HG22 THR 16 3.200 -20.377 -23.189 128 HG23 THR 16 HG23 THR 16 3.514 -19.016 -22.113 129 H THR 17 H THR 17 3.982 -15.242 -24.262 130 HA THR 17 HA THR 17 5.418 -15.014 -21.871 131 HB THR 17 HB THR 17 6.086 -13.997 -23.984 132 HG1 THR 17 HG1 THR 17 7.083 -13.156 -22.239 133 HG21 THR 17 HG21 THR 17 3.746 -13.015 -24.526 134 HG22 THR 17 HG22 THR 17 4.198 -11.687 -23.443 135 HG23 THR 17 HG23 THR 17 5.175 -12.012 -24.885 136 H LEU 18 H LEU 18 2.520 -13.116 -22.788 137 HA LEU 18 HA LEU 18 2.173 -11.646 -20.396 138 HB2 LEU 18 HB2 LEU 18 -0.087 -11.266 -21.231 139 HB3 LEU 18 HB3 LEU 18 1.079 -11.195 -22.539 140 HG LEU 18 HG LEU 18 0.369 -13.775 -22.874 141 HD11 LEU 18 HD11 LEU 18 -2.185 -12.491 -21.808 142 HD12 LEU 18 HD12 LEU 18 -2.029 -14.084 -22.572 143 HD13 LEU 18 HD13 LEU 18 -1.304 -13.798 -20.990 144 HD21 LEU 18 HD21 LEU 18 0.219 -11.990 -24.559 145 HD22 LEU 18 HD22 LEU 18 -1.225 -13.013 -24.568 146 HD23 LEU 18 HD23 LEU 18 -1.282 -11.407 -23.790 147 H ASP 19 H ASP 19 1.618 -14.950 -20.982 148 HA ASP 19 HA ASP 19 -0.446 -15.368 -18.901 149 HB2 ASP 19 HB2 ASP 19 0.219 -16.604 -21.264 150 HB3 ASP 19 HB3 ASP 19 0.977 -17.687 -20.112 151 H GLU 20 H GLU 20 2.826 -16.681 -19.567 152 HA GLU 20 HA GLU 20 3.290 -17.608 -16.946 153 HB2 GLU 20 HB2 GLU 20 5.562 -17.888 -17.550 154 HB3 GLU 20 HB3 GLU 20 4.573 -18.251 -18.970 155 HG2 GLU 20 HG2 GLU 20 5.140 -16.147 -19.999 156 HG3 GLU 20 HG3 GLU 20 5.993 -15.594 -18.549 157 H LEU 21 H LEU 21 3.574 -14.397 -18.335 158 HA LEU 21 HA LEU 21 4.956 -13.116 -16.117 159 HB2 LEU 21 HB2 LEU 21 3.309 -12.244 -18.481 160 HB3 LEU 21 HB3 LEU 21 3.426 -11.129 -17.169 161 HG LEU 21 HG LEU 21 5.074 -11.026 -19.198 162 HD11 LEU 21 HD11 LEU 21 5.942 -10.645 -16.312 163 HD12 LEU 21 HD12 LEU 21 6.704 -9.880 -17.729 164 HD13 LEU 21 HD13 LEU 21 5.033 -9.479 -17.309 165 HD21 LEU 21 HD21 LEU 21 6.132 -13.291 -18.903 166 HD22 LEU 21 HD22 LEU 21 7.275 -11.947 -18.837 167 HD23 LEU 21 HD23 LEU 21 6.784 -12.750 -17.336 168 H ALA 22 H ALA 22 1.417 -13.228 -16.950 169 HA ALA 22 HA ALA 22 0.570 -12.040 -14.555 170 HB1 ALA 22 HB1 ALA 22 -0.875 -14.062 -16.317 171 HB2 ALA 22 HB2 ALA 22 -1.642 -13.025 -15.099 172 HB3 ALA 22 HB3 ALA 22 -0.873 -12.291 -16.513 173 H ARG 23 H ARG 23 1.075 -15.484 -15.227 174 HA ARG 23 HA ARG 23 0.252 -16.596 -12.740 175 HB2 ARG 23 HB2 ARG 23 2.294 -17.488 -14.813 176 HB3 ARG 23 HB3 ARG 23 1.807 -18.485 -13.441 177 HG2 ARG 23 HG2 ARG 23 -0.420 -18.723 -14.223 178 HG3 ARG 23 HG3 ARG 23 -0.289 -17.379 -15.347 179 HD2 ARG 23 HD2 ARG 23 -0.228 -19.435 -16.615 180 HD3 ARG 23 HD3 ARG 23 1.335 -18.656 -16.721 181 HE ARG 23 HE ARG 23 2.319 -20.404 -15.501 182 HH11 ARG 23 HH11 ARG 23 -1.152 -20.878 -15.464 183 HH12 ARG 23 HH12 ARG 23 -1.018 -22.478 -14.762 184 HH21 ARG 23 HH21 ARG 23 2.424 -22.450 -14.626 185 HH22 ARG 23 HH22 ARG 23 0.951 -23.334 -14.322 186 H LYS 24 H LYS 24 3.655 -15.878 -13.751 187 HA LYS 24 HA LYS 24 4.727 -16.454 -11.155 188 HB2 LYS 24 HB2 LYS 24 5.872 -15.014 -13.577 189 HB3 LYS 24 HB3 LYS 24 6.779 -15.232 -12.080 190 HG2 LYS 24 HG2 LYS 24 6.529 -17.647 -12.163 191 HG3 LYS 24 HG3 LYS 24 5.565 -17.554 -13.637 192 HD2 LYS 24 HD2 LYS 24 8.442 -16.542 -13.445 193 HD3 LYS 24 HD3 LYS 24 8.005 -18.194 -13.897 194 HE2 LYS 24 HE2 LYS 24 6.627 -17.330 -15.758 195 HE3 LYS 24 HE3 LYS 24 7.131 -15.681 -15.380 196 HZ1 LYS 24 HZ1 LYS 24 9.031 -17.859 -16.061 197 HZ2 LYS 24 HZ2 LYS 24 8.460 -16.830 -17.158 198 HZ3 LYS 24 HZ3 LYS 24 9.387 -16.262 -15.936 199 H ALA 25 H ALA 25 3.911 -13.288 -12.642 200 HA ALA 25 HA ALA 25 4.677 -11.675 -10.401 201 HB1 ALA 25 HB1 ALA 25 2.433 -11.211 -12.408 202 HB2 ALA 25 HB2 ALA 25 3.213 -9.994 -11.367 203 HB3 ALA 25 HB3 ALA 25 4.137 -10.770 -12.658 204 H LYS 26 H LYS 26 1.227 -12.851 -11.073 205 HA LYS 26 HA LYS 26 0.480 -11.954 -8.507 206 HB2 LYS 26 HB2 LYS 26 -1.022 -12.595 -10.509 207 HB3 LYS 26 HB3 LYS 26 -0.850 -14.272 -9.955 208 HG2 LYS 26 HG2 LYS 26 -2.765 -13.720 -8.805 209 HG3 LYS 26 HG3 LYS 26 -1.591 -13.183 -7.605 210 HD2 LYS 26 HD2 LYS 26 -1.835 -10.876 -9.019 211 HD3 LYS 26 HD3 LYS 26 -3.429 -11.598 -9.336 212 HE2 LYS 26 HE2 LYS 26 -3.291 -12.105 -6.697 213 HE3 LYS 26 HE3 LYS 26 -2.086 -10.809 -6.773 214 HZ1 LYS 26 HZ1 LYS 26 -3.766 -9.332 -7.602 215 HZ2 LYS 26 HZ2 LYS 26 -4.909 -10.509 -7.657 216 HZ3 LYS 26 HZ3 LYS 26 -4.306 -9.990 -6.220 217 H GLU 27 H GLU 27 1.950 -15.095 -9.345 218 HA GLU 27 HA GLU 27 1.596 -16.394 -6.840 219 HB2 GLU 27 HB2 GLU 27 3.533 -16.661 -9.049 220 HB3 GLU 27 HB3 GLU 27 3.903 -17.407 -7.495 221 HG2 GLU 27 HG2 GLU 27 1.181 -17.720 -8.846 222 HG3 GLU 27 HG3 GLU 27 2.546 -18.779 -9.141 223 H GLU 28 H GLU 28 4.308 -14.214 -7.880 224 HA GLU 28 HA GLU 28 5.446 -14.231 -5.168 225 HB2 GLU 28 HB2 GLU 28 7.334 -13.224 -6.069 226 HB3 GLU 28 HB3 GLU 28 6.816 -14.450 -7.223 227 HG2 GLU 28 HG2 GLU 28 5.663 -12.486 -8.490 228 HG3 GLU 28 HG3 GLU 28 6.598 -11.429 -7.444 229 H VAL 29 H VAL 29 3.324 -12.165 -6.880 230 HA VAL 29 HA VAL 29 3.205 -10.250 -4.626 231 HB VAL 29 HB VAL 29 2.917 -8.346 -6.074 232 HG11 VAL 29 HG11 VAL 29 5.213 -7.962 -6.681 233 HG12 VAL 29 HG12 VAL 29 5.192 -8.902 -5.172 234 HG13 VAL 29 HG13 VAL 29 5.543 -9.702 -6.732 235 HG21 VAL 29 HG21 VAL 29 2.332 -9.686 -8.220 236 HG22 VAL 29 HG22 VAL 29 3.412 -8.278 -8.388 237 HG23 VAL 29 HG23 VAL 29 4.074 -9.933 -8.385 238 HA PRO 30 HA PRO 30 -0.911 -12.098 -5.579 239 HB2 PRO 30 HB2 PRO 30 -1.535 -12.741 -2.976 240 HB3 PRO 30 HB3 PRO 30 -0.544 -13.788 -4.045 241 HG2 PRO 30 HG2 PRO 30 0.379 -11.798 -1.955 242 HG3 PRO 30 HG3 PRO 30 0.936 -13.480 -2.195 243 HD2 PRO 30 HD2 PRO 30 2.288 -11.322 -3.207 244 HD3 PRO 30 HD3 PRO 30 2.204 -12.868 -4.104 245 H ASP 31 H ASP 31 0.206 -9.388 -3.905 246 HA ASP 31 HA ASP 31 -2.442 -8.263 -3.145 247 HB2 ASP 31 HB2 ASP 31 -0.303 -8.002 -1.808 248 HB3 ASP 31 HB3 ASP 31 0.370 -7.074 -3.130 249 H ALA 32 H ALA 32 -0.172 -8.337 -5.719 250 HA ALA 32 HA ALA 32 -0.844 -5.766 -6.850 251 HB1 ALA 32 HB1 ALA 32 0.783 -8.051 -8.043 252 HB2 ALA 32 HB2 ALA 32 0.879 -6.341 -8.503 253 HB3 ALA 32 HB3 ALA 32 1.450 -6.867 -6.896 254 H GLU 33 H GLU 33 -1.593 -5.493 -9.123 255 HA GLU 33 HA GLU 33 -3.580 -7.640 -9.840 256 HB2 GLU 33 HB2 GLU 33 -3.995 -4.863 -10.806 257 HB3 GLU 33 HB3 GLU 33 -5.153 -6.120 -10.478 258 HG2 GLU 33 HG2 GLU 33 -3.630 -4.549 -8.362 259 HG3 GLU 33 HG3 GLU 33 -5.208 -4.143 -8.983 260 H ILE 34 H ILE 34 -2.946 -8.798 -11.464 261 HA ILE 34 HA ILE 34 -1.357 -7.544 -13.594 262 HB ILE 34 HB ILE 34 -1.682 -10.507 -13.305 263 HG12 ILE 34 HG12 ILE 34 -1.215 -9.916 -11.025 264 HG13 ILE 34 HG13 ILE 34 0.135 -10.719 -11.769 265 HG21 ILE 34 HG21 ILE 34 0.887 -10.073 -14.005 266 HG22 ILE 34 HG22 ILE 34 -0.457 -10.078 -15.184 267 HG23 ILE 34 HG23 ILE 34 0.202 -8.564 -14.592 268 HD11 ILE 34 HD11 ILE 34 1.391 -8.622 -11.914 269 HD12 ILE 34 HD12 ILE 34 0.018 -7.694 -11.302 270 HD13 ILE 34 HD13 ILE 34 0.786 -8.911 -10.256 271 H ARG 35 H ARG 35 -2.244 -7.113 -15.482 272 HA ARG 35 HA ARG 35 -4.323 -8.858 -16.656 273 HB2 ARG 35 HB2 ARG 35 -5.904 -7.005 -17.094 274 HB3 ARG 35 HB3 ARG 35 -5.790 -7.391 -15.401 275 HG2 ARG 35 HG2 ARG 35 -4.206 -5.091 -16.610 276 HG3 ARG 35 HG3 ARG 35 -5.870 -4.983 -16.029 277 HD2 ARG 35 HD2 ARG 35 -4.762 -6.204 -13.883 278 HD3 ARG 35 HD3 ARG 35 -3.359 -5.365 -14.470 279 HE ARG 35 HE ARG 35 -4.710 -3.219 -14.240 280 HH11 ARG 35 HH11 ARG 35 -6.379 -6.002 -12.771 281 HH12 ARG 35 HH12 ARG 35 -7.465 -4.880 -11.962 282 HH21 ARG 35 HH21 ARG 35 -6.265 -2.042 -13.170 283 HH22 ARG 35 HH22 ARG 35 -7.314 -2.916 -12.065 284 H THR 36 H THR 36 -5.106 -8.035 -18.851 285 HA THR 36 HA THR 36 -2.839 -6.766 -20.305 286 HB THR 36 HB THR 36 -3.014 -8.316 -22.094 287 HG1 THR 36 HG1 THR 36 -4.599 -9.950 -22.075 288 HG21 THR 36 HG21 THR 36 -1.968 -9.181 -19.813 289 HG22 THR 36 HG22 THR 36 -3.361 -10.253 -19.802 290 HG23 THR 36 HG23 THR 36 -2.221 -10.292 -21.178 291 H VAL 37 H VAL 37 -3.307 -5.818 -22.349 292 HA VAL 37 HA VAL 37 -6.107 -5.013 -22.957 293 HB VAL 37 HB VAL 37 -5.943 -2.915 -22.571 294 HG11 VAL 37 HG11 VAL 37 -3.320 -3.371 -21.192 295 HG12 VAL 37 HG12 VAL 37 -4.386 -1.944 -21.069 296 HG13 VAL 37 HG13 VAL 37 -4.978 -3.524 -20.504 297 HG21 VAL 37 HG21 VAL 37 -3.251 -2.814 -23.906 298 HG22 VAL 37 HG22 VAL 37 -4.889 -2.277 -24.455 299 HG23 VAL 37 HG23 VAL 37 -4.046 -1.429 -23.149 300 H THR 38 H THR 38 -6.494 -4.548 -24.957 301 HA THR 38 HA THR 38 -4.326 -4.994 -27.022 302 HB THR 38 HB THR 38 -5.618 -7.015 -26.700 303 HG1 THR 38 HG1 THR 38 -6.003 -5.708 -29.167 304 HG21 THR 38 HG21 THR 38 -7.965 -7.159 -27.475 305 HG22 THR 38 HG22 THR 38 -7.756 -6.207 -25.998 306 HG23 THR 38 HG23 THR 38 -8.039 -5.379 -27.544 307 H THR 39 H THR 39 -6.815 -2.950 -26.021 308 HA THR 39 HA THR 39 -6.517 -1.178 -28.386 309 HB THR 39 HB THR 39 -9.057 -0.885 -28.378 310 HG1 THR 39 HG1 THR 39 -9.041 -3.433 -27.158 311 HG21 THR 39 HG21 THR 39 -7.961 -2.144 -30.220 312 HG22 THR 39 HG22 THR 39 -8.217 -3.652 -29.304 313 HG23 THR 39 HG23 THR 39 -9.608 -2.675 -29.846 314 H LYS 40 H LYS 40 -7.723 0.868 -28.063 315 HA LYS 40 HA LYS 40 -6.872 2.270 -25.826 316 HB2 LYS 40 HB2 LYS 40 -8.077 4.086 -26.661 317 HB3 LYS 40 HB3 LYS 40 -7.643 3.170 -28.086 318 HG2 LYS 40 HG2 LYS 40 -10.367 3.329 -26.729 319 HG3 LYS 40 HG3 LYS 40 -9.868 4.168 -28.182 320 HD2 LYS 40 HD2 LYS 40 -9.746 2.044 -29.417 321 HD3 LYS 40 HD3 LYS 40 -10.219 1.146 -27.958 322 HE2 LYS 40 HE2 LYS 40 -12.308 2.585 -27.852 323 HE3 LYS 40 HE3 LYS 40 -11.864 3.244 -29.417 324 HZ1 LYS 40 HZ1 LYS 40 -11.943 0.887 -30.266 325 HZ2 LYS 40 HZ2 LYS 40 -12.569 0.415 -28.827 326 HZ3 LYS 40 HZ3 LYS 40 -13.379 1.455 -29.753 327 H GLU 41 H GLU 41 -9.814 0.471 -26.206 328 HA GLU 41 HA GLU 41 -11.166 1.634 -23.900 329 HB2 GLU 41 HB2 GLU 41 -12.886 -0.110 -24.373 330 HB3 GLU 41 HB3 GLU 41 -12.462 0.895 -25.768 331 HG2 GLU 41 HG2 GLU 41 -11.023 -0.831 -26.653 332 HG3 GLU 41 HG3 GLU 41 -11.412 -1.926 -25.313 333 H ASP 42 H ASP 42 -9.421 -1.427 -24.594 334 HA ASP 42 HA ASP 42 -9.815 -2.539 -21.952 335 HB2 ASP 42 HB2 ASP 42 -7.710 -3.036 -24.074 336 HB3 ASP 42 HB3 ASP 42 -7.841 -3.894 -22.573 337 H ALA 43 H ALA 43 -7.280 -0.505 -23.401 338 HA ALA 43 HA ALA 43 -5.640 -0.279 -21.050 339 HB1 ALA 43 HB1 ALA 43 -4.738 0.478 -23.041 340 HB2 ALA 43 HB2 ALA 43 -6.135 1.520 -23.435 341 HB3 ALA 43 HB3 ALA 43 -5.011 1.947 -22.105 342 H LYS 44 H LYS 44 -8.438 1.635 -22.151 343 HA LYS 44 HA LYS 44 -8.444 3.452 -19.948 344 HB2 LYS 44 HB2 LYS 44 -9.634 3.951 -21.971 345 HB3 LYS 44 HB3 LYS 44 -10.792 2.632 -21.702 346 HG2 LYS 44 HG2 LYS 44 -11.811 3.678 -19.912 347 HG3 LYS 44 HG3 LYS 44 -10.377 4.616 -19.476 348 HD2 LYS 44 HD2 LYS 44 -10.699 5.970 -21.574 349 HD3 LYS 44 HD3 LYS 44 -12.308 5.227 -21.738 350 HE2 LYS 44 HE2 LYS 44 -11.251 6.764 -19.315 351 HE3 LYS 44 HE3 LYS 44 -12.302 7.446 -20.550 352 HZ1 LYS 44 HZ1 LYS 44 -13.039 5.228 -18.710 353 HZ2 LYS 44 HZ2 LYS 44 -13.610 6.745 -18.661 354 HZ3 LYS 44 HZ3 LYS 44 -13.987 5.769 -19.920 355 H ARG 45 H ARG 45 -10.194 0.430 -20.410 356 HA ARG 45 HA ARG 45 -11.600 0.142 -17.980 357 HB2 ARG 45 HB2 ARG 45 -12.067 -1.167 -19.911 358 HB3 ARG 45 HB3 ARG 45 -10.397 -1.678 -20.062 359 HG2 ARG 45 HG2 ARG 45 -10.713 -3.089 -17.973 360 HG3 ARG 45 HG3 ARG 45 -12.453 -2.733 -18.124 361 HD2 ARG 45 HD2 ARG 45 -12.387 -3.618 -20.471 362 HD3 ARG 45 HD3 ARG 45 -10.653 -3.925 -20.304 363 HE ARG 45 HE ARG 45 -12.147 -5.256 -18.235 364 HH11 ARG 45 HH11 ARG 45 -11.183 -5.702 -21.624 365 HH12 ARG 45 HH12 ARG 45 -11.510 -7.408 -21.544 366 HH21 ARG 45 HH21 ARG 45 -12.480 -7.439 -18.256 367 HH22 ARG 45 HH22 ARG 45 -12.169 -8.366 -19.696 368 H VAL 46 H VAL 46 -8.401 -1.388 -18.756 369 HA VAL 46 HA VAL 46 -8.091 -2.366 -16.112 370 HB VAL 46 HB VAL 46 -5.808 -2.778 -16.587 371 HG11 VAL 46 HG11 VAL 46 -7.546 -4.309 -17.536 372 HG12 VAL 46 HG12 VAL 46 -7.449 -3.461 -19.085 373 HG13 VAL 46 HG13 VAL 46 -6.036 -4.318 -18.468 374 HG21 VAL 46 HG21 VAL 46 -5.046 -0.813 -17.701 375 HG22 VAL 46 HG22 VAL 46 -4.657 -2.259 -18.635 376 HG23 VAL 46 HG23 VAL 46 -6.020 -1.207 -19.131 377 H ALA 47 H ALA 47 -7.068 0.704 -17.507 378 HA ALA 47 HA ALA 47 -5.592 1.481 -15.156 379 HB1 ALA 47 HB1 ALA 47 -5.216 3.490 -16.319 380 HB2 ALA 47 HB2 ALA 47 -5.264 2.230 -17.572 381 HB3 ALA 47 HB3 ALA 47 -6.657 3.272 -17.374 382 H GLU 48 H GLU 48 -8.818 2.566 -16.416 383 HA GLU 48 HA GLU 48 -9.467 4.164 -14.169 384 HB2 GLU 48 HB2 GLU 48 -11.626 4.296 -15.014 385 HB3 GLU 48 HB3 GLU 48 -10.577 4.174 -16.429 386 HG2 GLU 48 HG2 GLU 48 -11.088 1.656 -16.415 387 HG3 GLU 48 HG3 GLU 48 -12.218 1.947 -15.141 388 H GLU 49 H GLU 49 -9.315 0.698 -14.510 389 HA GLU 49 HA GLU 49 -10.802 0.137 -12.040 390 HB2 GLU 49 HB2 GLU 49 -10.050 -1.554 -14.092 391 HB3 GLU 49 HB3 GLU 49 -8.693 -1.738 -13.055 392 HG2 GLU 49 HG2 GLU 49 -10.649 -1.981 -11.164 393 HG3 GLU 49 HG3 GLU 49 -11.539 -2.532 -12.577 394 H ALA 50 H ALA 50 -7.325 0.248 -12.974 395 HA ALA 50 HA ALA 50 -6.187 -0.305 -10.455 396 HB1 ALA 50 HB1 ALA 50 -5.220 1.450 -12.723 397 HB2 ALA 50 HB2 ALA 50 -4.212 0.944 -11.367 398 HB3 ALA 50 HB3 ALA 50 -4.860 -0.286 -12.486 399 H GLU 51 H GLU 51 -7.495 2.815 -11.631 400 HA GLU 51 HA GLU 51 -6.387 4.226 -9.304 401 HB2 GLU 51 HB2 GLU 51 -7.379 6.195 -10.116 402 HB3 GLU 51 HB3 GLU 51 -6.768 5.270 -11.513 403 HG2 GLU 51 HG2 GLU 51 -8.983 4.631 -12.160 404 HG3 GLU 51 HG3 GLU 51 -9.681 5.277 -10.681 405 H ARG 52 H ARG 52 -9.017 2.259 -9.701 406 HA ARG 52 HA ARG 52 -10.755 3.347 -7.557 407 HB2 ARG 52 HB2 ARG 52 -10.755 0.448 -8.487 408 HB3 ARG 52 HB3 ARG 52 -12.053 1.343 -7.725 409 HG2 ARG 52 HG2 ARG 52 -10.900 1.847 -10.476 410 HG3 ARG 52 HG3 ARG 52 -12.376 0.939 -10.180 411 HD2 ARG 52 HD2 ARG 52 -11.978 3.894 -9.538 412 HD3 ARG 52 HD3 ARG 52 -12.818 3.242 -10.944 413 HE ARG 52 HE ARG 52 -13.753 2.495 -8.208 414 HH11 ARG 52 HH11 ARG 52 -14.515 4.186 -11.184 415 HH12 ARG 52 HH12 ARG 52 -16.203 4.350 -10.744 416 HH21 ARG 52 HH21 ARG 52 -15.892 2.732 -7.729 417 HH22 ARG 52 HH22 ARG 52 -16.950 3.555 -8.842 418 H ARG 53 H ARG 53 -8.219 1.019 -7.824 419 HA ARG 53 HA ARG 53 -8.211 0.429 -4.898 420 HB2 ARG 53 HB2 ARG 53 -7.133 -1.659 -5.491 421 HB3 ARG 53 HB3 ARG 53 -8.635 -1.470 -6.394 422 HG2 ARG 53 HG2 ARG 53 -6.661 -0.344 -8.084 423 HG3 ARG 53 HG3 ARG 53 -5.828 -1.696 -7.341 424 HD2 ARG 53 HD2 ARG 53 -8.503 -1.888 -8.793 425 HD3 ARG 53 HD3 ARG 53 -6.934 -2.374 -9.449 426 HE ARG 53 HE ARG 53 -6.855 -3.949 -7.379 427 HH11 ARG 53 HH11 ARG 53 -9.622 -3.641 -9.415 428 HH12 ARG 53 HH12 ARG 53 -10.487 -4.915 -8.589 429 HH21 ARG 53 HH21 ARG 53 -7.700 -5.701 -6.734 430 HH22 ARG 53 HH22 ARG 53 -9.336 -6.185 -7.134 431 H ASN 54 H ASN 54 -6.560 2.213 -7.059 432 HA ASN 54 HA ASN 54 -4.885 3.711 -6.774 433 HB2 ASN 54 HB2 ASN 54 -5.519 2.891 -3.982 434 HB3 ASN 54 HB3 ASN 54 -4.147 3.972 -4.266 435 HD21 ASN 54 HD21 ASN 54 -8.036 5.111 -5.116 436 HD22 ASN 54 HD22 ASN 54 -7.648 3.463 -4.669 437 H ALA 55 H ALA 55 -3.980 1.887 -8.056 438 HA ALA 55 HA ALA 55 -1.826 0.317 -7.128 439 HB1 ALA 55 HB1 ALA 55 -2.324 1.467 -9.889 440 HB2 ALA 55 HB2 ALA 55 -1.274 0.091 -9.451 441 HB3 ALA 55 HB3 ALA 55 -3.047 -0.002 -9.191 442 H ASP 56 H ASP 56 -0.466 1.520 -5.773 443 HA ASP 56 HA ASP 56 0.710 3.987 -6.104 444 HB2 ASP 56 HB2 ASP 56 0.864 1.912 -4.313 445 HB3 ASP 56 HB3 ASP 56 2.464 1.816 -5.004 446 H ILE 57 H ILE 57 1.757 0.914 -7.534 447 HA ILE 57 HA ILE 57 3.560 2.371 -9.404 448 HB ILE 57 HB ILE 57 4.378 -0.373 -8.488 449 HG12 ILE 57 HG12 ILE 57 4.912 2.123 -6.841 450 HG13 ILE 57 HG13 ILE 57 4.046 0.666 -6.341 451 HG21 ILE 57 HG21 ILE 57 6.584 0.456 -9.136 452 HG22 ILE 57 HG22 ILE 57 5.448 0.870 -10.410 453 HG23 ILE 57 HG23 ILE 57 5.964 2.118 -9.260 454 HD11 ILE 57 HD11 ILE 57 6.210 0.648 -5.351 455 HD12 ILE 57 HD12 ILE 57 6.121 -0.663 -6.561 456 HD13 ILE 57 HD13 ILE 57 7.016 0.832 -6.915 457 H VAL 58 H VAL 58 3.094 1.972 -11.434 458 HA VAL 58 HA VAL 58 1.619 -0.482 -12.281 459 HB VAL 58 HB VAL 58 0.798 1.316 -14.088 460 HG11 VAL 58 HG11 VAL 58 -1.236 1.646 -12.729 461 HG12 VAL 58 HG12 VAL 58 -0.705 -0.022 -12.873 462 HG13 VAL 58 HG13 VAL 58 -0.384 0.882 -11.359 463 HG21 VAL 58 HG21 VAL 58 2.111 3.163 -12.833 464 HG22 VAL 58 HG22 VAL 58 0.412 3.488 -13.198 465 HG23 VAL 58 HG23 VAL 58 0.942 3.026 -11.544 466 H VAL 59 H VAL 59 3.252 -1.645 -12.939 467 HA VAL 59 HA VAL 59 5.227 -0.727 -14.950 468 HB VAL 59 HB VAL 59 4.574 -3.445 -13.711 469 HG11 VAL 59 HG11 VAL 59 6.785 -2.688 -15.654 470 HG12 VAL 59 HG12 VAL 59 6.710 -4.218 -14.754 471 HG13 VAL 59 HG13 VAL 59 5.474 -3.842 -15.954 472 HG21 VAL 59 HG21 VAL 59 5.692 -1.850 -12.161 473 HG22 VAL 59 HG22 VAL 59 6.734 -3.215 -12.576 474 HG23 VAL 59 HG23 VAL 59 7.008 -1.643 -13.343 475 H ILE 60 H ILE 60 4.614 -0.563 -17.033 476 HA ILE 60 HA ILE 60 2.407 -2.247 -18.106 477 HB ILE 60 HB ILE 60 3.828 0.037 -19.406 478 HG12 ILE 60 HG12 ILE 60 2.872 0.967 -17.232 479 HG13 ILE 60 HG13 ILE 60 2.416 1.748 -18.705 480 HG21 ILE 60 HG21 ILE 60 1.123 -1.244 -19.896 481 HG22 ILE 60 HG22 ILE 60 1.682 0.246 -20.685 482 HG23 ILE 60 HG23 ILE 60 2.559 -1.272 -20.940 483 HD11 ILE 60 HD11 ILE 60 0.224 0.644 -18.662 484 HD12 ILE 60 HD12 ILE 60 0.693 -0.201 -17.149 485 HD13 ILE 60 HD13 ILE 60 0.539 1.570 -17.196 486 H VAL 61 H VAL 61 2.953 -3.880 -19.474 487 HA VAL 61 HA VAL 61 5.783 -4.270 -20.297 488 HB VAL 61 HB VAL 61 3.622 -6.357 -20.098 489 HG11 VAL 61 HG11 VAL 61 6.657 -6.553 -20.408 490 HG12 VAL 61 HG12 VAL 61 5.552 -7.917 -20.167 491 HG13 VAL 61 HG13 VAL 61 5.441 -6.952 -21.646 492 HG21 VAL 61 HG21 VAL 61 4.113 -5.473 -17.851 493 HG22 VAL 61 HG22 VAL 61 4.797 -7.093 -18.035 494 HG23 VAL 61 HG23 VAL 61 5.859 -5.672 -18.131 495 H GLY 62 H GLY 62 5.951 -3.254 -22.215 496 HA2 GLY 62 HA2 GLY 62 4.016 -3.864 -24.417 497 HA3 GLY 62 HA3 GLY 62 4.973 -2.388 -24.293 498 HA PRO 63 HA PRO 63 6.951 -6.001 -26.735 499 HB2 PRO 63 HB2 PRO 63 6.483 -5.277 -29.352 500 HB3 PRO 63 HB3 PRO 63 5.354 -6.214 -28.355 501 HG2 PRO 63 HG2 PRO 63 5.310 -3.226 -28.865 502 HG3 PRO 63 HG3 PRO 63 3.955 -4.394 -28.975 503 HD2 PRO 63 HD2 PRO 63 4.317 -2.874 -26.746 504 HD3 PRO 63 HD3 PRO 63 3.813 -4.579 -26.618 505 H SER 64 H SER 64 7.261 -3.200 -28.923 506 HA SER 64 HA SER 64 9.960 -2.424 -28.102 507 HB2 SER 64 HB2 SER 64 10.995 -3.247 -30.171 508 HB3 SER 64 HB3 SER 64 10.352 -4.577 -29.201 509 HG SER 64 HG SER 64 9.828 -4.749 -31.440 510 H GLY 65 H GLY 65 10.869 -0.803 -29.586 511 HA2 GLY 65 HA2 GLY 65 10.757 1.200 -30.704 512 HA3 GLY 65 HA3 GLY 65 9.814 0.280 -31.868 513 H SER 66 H SER 66 8.291 1.645 -32.515 514 HA SER 66 HA SER 66 6.216 2.564 -30.608 515 HB2 SER 66 HB2 SER 66 7.476 4.392 -32.701 516 HB3 SER 66 HB3 SER 66 6.073 4.772 -31.700 517 HG SER 66 HG SER 66 7.471 4.513 -29.859 518 H GLY 67 H GLY 67 4.159 2.555 -31.482 519 HA2 GLY 67 HA2 GLY 67 3.305 2.522 -34.144 520 HA3 GLY 67 HA3 GLY 67 3.734 0.856 -33.769 521 H LYS 68 H LYS 68 1.762 -0.072 -33.672 522 HA LYS 68 HA LYS 68 -0.630 0.877 -32.553 523 HB2 LYS 68 HB2 LYS 68 -1.521 -1.186 -32.899 524 HB3 LYS 68 HB3 LYS 68 -0.188 -1.219 -34.029 525 HG2 LYS 68 HG2 LYS 68 -0.336 -2.545 -31.283 526 HG3 LYS 68 HG3 LYS 68 -0.439 -3.354 -32.827 527 HD2 LYS 68 HD2 LYS 68 2.030 -1.881 -31.809 528 HD3 LYS 68 HD3 LYS 68 1.766 -3.606 -31.633 529 HE2 LYS 68 HE2 LYS 68 1.888 -2.199 -34.336 530 HE3 LYS 68 HE3 LYS 68 3.272 -2.944 -33.541 531 HZ1 LYS 68 HZ1 LYS 68 2.100 -5.070 -33.602 532 HZ2 LYS 68 HZ2 LYS 68 0.815 -4.396 -34.362 533 HZ3 LYS 68 HZ3 LYS 68 2.262 -4.476 -35.102 534 H SER 69 H SER 69 2.107 0.121 -30.749 535 HA SER 69 HA SER 69 1.113 -0.816 -28.235 536 HB2 SER 69 HB2 SER 69 3.346 0.105 -27.458 537 HB3 SER 69 HB3 SER 69 3.411 -1.082 -28.769 538 HG SER 69 HG SER 69 4.725 0.804 -29.109 539 H THR 70 H THR 70 0.154 1.962 -29.628 540 HA THR 70 HA THR 70 0.216 4.054 -27.819 541 HB THR 70 HB THR 70 -2.440 3.225 -28.946 542 HG1 THR 70 HG1 THR 70 -0.331 4.285 -30.506 543 HG21 THR 70 HG21 THR 70 -2.245 5.387 -27.759 544 HG22 THR 70 HG22 THR 70 -0.981 5.896 -28.903 545 HG23 THR 70 HG23 THR 70 -2.639 5.600 -29.471 546 H LEU 71 H LEU 71 -1.750 1.056 -27.486 547 HA LEU 71 HA LEU 71 -3.441 1.880 -25.418 548 HB2 LEU 71 HB2 LEU 71 -2.345 -0.900 -25.284 549 HB3 LEU 71 HB3 LEU 71 -3.976 -0.295 -25.074 550 HG LEU 71 HG LEU 71 -4.260 -1.515 -26.895 551 HD11 LEU 71 HD11 LEU 71 -3.333 0.857 -28.549 552 HD12 LEU 71 HD12 LEU 71 -4.620 -0.276 -28.862 553 HD13 LEU 71 HD13 LEU 71 -4.812 0.905 -27.547 554 HD21 LEU 71 HD21 LEU 71 -1.457 -0.845 -27.810 555 HD22 LEU 71 HD22 LEU 71 -2.080 -2.369 -27.161 556 HD23 LEU 71 HD23 LEU 71 -2.616 -1.806 -28.750 557 H ALA 72 H ALA 72 -0.106 0.842 -25.181 558 HA ALA 72 HA ALA 72 0.087 0.572 -22.330 559 HB1 ALA 72 HB1 ALA 72 2.232 1.196 -24.419 560 HB2 ALA 72 HB2 ALA 72 2.524 0.613 -22.777 561 HB3 ALA 72 HB3 ALA 72 1.693 -0.426 -23.949 562 H LYS 73 H LYS 73 0.840 3.330 -24.536 563 HA LYS 73 HA LYS 73 1.380 5.131 -22.328 564 HB2 LYS 73 HB2 LYS 73 1.409 6.964 -23.809 565 HB3 LYS 73 HB3 LYS 73 2.389 5.659 -24.443 566 HG2 LYS 73 HG2 LYS 73 1.071 5.315 -26.271 567 HG3 LYS 73 HG3 LYS 73 -0.430 5.787 -25.443 568 HD2 LYS 73 HD2 LYS 73 1.606 7.901 -26.098 569 HD3 LYS 73 HD3 LYS 73 0.475 7.285 -27.319 570 HE2 LYS 73 HE2 LYS 73 -1.440 7.732 -25.833 571 HE3 LYS 73 HE3 LYS 73 -0.376 8.340 -24.589 572 HZ1 LYS 73 HZ1 LYS 73 -0.672 9.566 -27.288 573 HZ2 LYS 73 HZ2 LYS 73 -1.321 10.163 -25.918 574 HZ3 LYS 73 HZ3 LYS 73 0.295 10.135 -26.112 575 H ILE 74 H ILE 74 -1.633 4.261 -23.983 576 HA ILE 74 HA ILE 74 -3.214 6.390 -22.908 577 HB ILE 74 HB ILE 74 -3.957 3.579 -23.795 578 HG12 ILE 74 HG12 ILE 74 -4.519 6.280 -25.102 579 HG13 ILE 74 HG13 ILE 74 -3.110 5.315 -25.489 580 HG21 ILE 74 HG21 ILE 74 -5.675 4.304 -22.178 581 HG22 ILE 74 HG22 ILE 74 -5.871 5.839 -23.050 582 HG23 ILE 74 HG23 ILE 74 -6.325 4.296 -23.804 583 HD11 ILE 74 HD11 ILE 74 -4.734 4.891 -27.197 584 HD12 ILE 74 HD12 ILE 74 -4.658 3.417 -26.214 585 HD13 ILE 74 HD13 ILE 74 -6.001 4.556 -26.011 586 H VAL 75 H VAL 75 -2.636 3.034 -21.606 587 HA VAL 75 HA VAL 75 -3.933 3.444 -19.112 588 HB VAL 75 HB VAL 75 -1.458 1.787 -19.777 589 HG11 VAL 75 HG11 VAL 75 -1.669 2.143 -17.293 590 HG12 VAL 75 HG12 VAL 75 -3.313 1.492 -17.354 591 HG13 VAL 75 HG13 VAL 75 -1.934 0.467 -17.767 592 HG21 VAL 75 HG21 VAL 75 -3.334 0.990 -21.056 593 HG22 VAL 75 HG22 VAL 75 -2.980 -0.152 -19.772 594 HG23 VAL 75 HG23 VAL 75 -4.356 0.952 -19.576 595 H LYS 76 H LYS 76 -0.490 4.001 -19.999 596 HA LYS 76 HA LYS 76 0.328 5.066 -17.509 597 HB2 LYS 76 HB2 LYS 76 1.916 4.422 -19.191 598 HB3 LYS 76 HB3 LYS 76 1.325 5.648 -20.307 599 HG2 LYS 76 HG2 LYS 76 2.488 7.344 -19.346 600 HG3 LYS 76 HG3 LYS 76 2.266 6.750 -17.710 601 HD2 LYS 76 HD2 LYS 76 4.642 6.741 -18.406 602 HD3 LYS 76 HD3 LYS 76 4.038 5.167 -17.905 603 HE2 LYS 76 HE2 LYS 76 5.417 4.770 -19.744 604 HE3 LYS 76 HE3 LYS 76 3.774 4.477 -20.257 605 HZ1 LYS 76 HZ1 LYS 76 5.386 6.891 -20.876 606 HZ2 LYS 76 HZ2 LYS 76 4.961 5.681 -21.893 607 HZ3 LYS 76 HZ3 LYS 76 3.819 6.712 -21.328 608 H LYS 77 H LYS 77 -1.395 6.740 -20.071 609 HA LYS 77 HA LYS 77 -1.211 9.366 -18.759 610 HB2 LYS 77 HB2 LYS 77 -2.941 8.287 -21.019 611 HB3 LYS 77 HB3 LYS 77 -3.166 9.901 -20.375 612 HG2 LYS 77 HG2 LYS 77 -0.551 8.871 -21.574 613 HG3 LYS 77 HG3 LYS 77 -1.751 9.824 -22.427 614 HD2 LYS 77 HD2 LYS 77 -0.108 10.735 -20.031 615 HD3 LYS 77 HD3 LYS 77 0.160 11.164 -21.716 616 HE2 LYS 77 HE2 LYS 77 -2.088 12.257 -21.783 617 HE3 LYS 77 HE3 LYS 77 -2.299 11.892 -20.070 618 HZ1 LYS 77 HZ1 LYS 77 -0.157 13.612 -21.184 619 HZ2 LYS 77 HZ2 LYS 77 -1.470 14.141 -20.378 620 HZ3 LYS 77 HZ3 LYS 77 -0.340 13.265 -19.603 621 H ILE 78 H ILE 78 -3.691 6.773 -18.735 622 HA ILE 78 HA ILE 78 -5.489 8.244 -17.031 623 HB ILE 78 HB ILE 78 -5.208 5.274 -17.430 624 HG12 ILE 78 HG12 ILE 78 -6.374 7.415 -19.041 625 HG13 ILE 78 HG13 ILE 78 -5.956 5.761 -19.425 626 HG21 ILE 78 HG21 ILE 78 -7.387 6.883 -16.018 627 HG22 ILE 78 HG22 ILE 78 -7.530 5.157 -16.426 628 HG23 ILE 78 HG23 ILE 78 -6.309 5.670 -15.283 629 HD11 ILE 78 HD11 ILE 78 -8.292 6.120 -19.879 630 HD12 ILE 78 HD12 ILE 78 -8.158 5.008 -18.498 631 HD13 ILE 78 HD13 ILE 78 -8.575 6.714 -18.229 632 H ILE 79 H ILE 79 -2.715 6.123 -16.152 633 HA ILE 79 HA ILE 79 -3.421 6.525 -13.312 634 HB ILE 79 HB ILE 79 -1.091 4.953 -14.405 635 HG12 ILE 79 HG12 ILE 79 -3.163 3.996 -15.311 636 HG13 ILE 79 HG13 ILE 79 -2.467 2.964 -14.085 637 HG21 ILE 79 HG21 ILE 79 -2.412 5.312 -11.686 638 HG22 ILE 79 HG22 ILE 79 -1.568 3.811 -12.061 639 HG23 ILE 79 HG23 ILE 79 -0.699 5.363 -12.142 640 HD11 ILE 79 HD11 ILE 79 -4.168 3.709 -12.435 641 HD12 ILE 79 HD12 ILE 79 -4.834 4.868 -13.603 642 HD13 ILE 79 HD13 ILE 79 -4.923 3.142 -13.938 643 H ALA 80 H ALA 80 -1.092 7.898 -15.551 644 HA ALA 80 HA ALA 80 0.675 9.014 -13.766 645 HB1 ALA 80 HB1 ALA 80 -0.435 10.142 -16.367 646 HB2 ALA 80 HB2 ALA 80 0.952 10.846 -15.500 647 HB3 ALA 80 HB3 ALA 80 1.068 9.201 -16.135 648 H ARG 81 H ARG 81 -2.634 10.229 -14.628 649 HA ARG 81 HA ARG 81 -2.340 12.455 -12.722 650 HB2 ARG 81 HB2 ARG 81 -4.088 13.482 -13.699 651 HB3 ARG 81 HB3 ARG 81 -3.494 12.596 -15.086 652 HG2 ARG 81 HG2 ARG 81 -5.726 11.582 -13.282 653 HG3 ARG 81 HG3 ARG 81 -6.035 12.664 -14.643 654 HD2 ARG 81 HD2 ARG 81 -5.484 11.021 -16.246 655 HD3 ARG 81 HD3 ARG 81 -4.575 10.073 -15.071 656 HE ARG 81 HE ARG 81 -6.462 8.964 -14.468 657 HH11 ARG 81 HH11 ARG 81 -7.639 11.785 -16.167 658 HH12 ARG 81 HH12 ARG 81 -9.304 11.257 -16.052 659 HH21 ARG 81 HH21 ARG 81 -8.573 8.438 -14.212 660 HH22 ARG 81 HH22 ARG 81 -9.807 9.390 -14.987 661 H ALA 82 H ALA 82 -3.672 9.222 -12.722 662 HA ALA 82 HA ALA 82 -5.599 9.498 -10.651 663 HB1 ALA 82 HB1 ALA 82 -3.741 7.153 -11.231 664 HB2 ALA 82 HB2 ALA 82 -5.251 7.077 -10.334 665 HB3 ALA 82 HB3 ALA 82 -5.296 7.468 -12.070 666 H GLY 83 H GLY 83 -2.150 9.564 -10.536 667 HA2 GLY 83 HA2 GLY 83 -1.254 10.852 -8.631 668 HA3 GLY 83 HA3 GLY 83 -2.269 9.891 -7.549 669 H ALA 84 H ALA 84 -0.574 8.243 -10.119 670 HA ALA 84 HA ALA 84 1.414 7.076 -8.205 671 HB1 ALA 84 HB1 ALA 84 0.817 4.903 -9.372 672 HB2 ALA 84 HB2 ALA 84 -0.429 5.570 -8.279 673 HB3 ALA 84 HB3 ALA 84 -0.587 5.741 -10.041 674 H LYS 85 H LYS 85 2.882 5.539 -9.506 675 HA LYS 85 HA LYS 85 3.942 7.067 -11.833 676 HB2 LYS 85 HB2 LYS 85 6.138 6.490 -11.148 677 HB3 LYS 85 HB3 LYS 85 5.279 7.272 -9.812 678 HG2 LYS 85 HG2 LYS 85 4.776 4.958 -8.903 679 HG3 LYS 85 HG3 LYS 85 5.738 4.284 -10.169 680 HD2 LYS 85 HD2 LYS 85 6.477 5.927 -7.724 681 HD3 LYS 85 HD3 LYS 85 7.229 4.426 -8.279 682 HE2 LYS 85 HE2 LYS 85 8.441 5.729 -10.030 683 HE3 LYS 85 HE3 LYS 85 7.625 7.192 -9.526 684 HZ1 LYS 85 HZ1 LYS 85 8.746 7.096 -7.395 685 HZ2 LYS 85 HZ2 LYS 85 9.379 5.637 -7.700 686 HZ3 LYS 85 HZ3 LYS 85 9.881 6.935 -8.526 687 H THR 86 H THR 86 3.934 6.230 -13.589 688 HA THR 86 HA THR 86 3.695 3.303 -14.064 689 HB THR 86 HB THR 86 2.907 5.340 -16.130 690 HG1 THR 86 HG1 THR 86 1.181 6.104 -15.172 691 HG21 THR 86 HG21 THR 86 1.885 2.695 -15.325 692 HG22 THR 86 HG22 THR 86 0.688 3.854 -15.881 693 HG23 THR 86 HG23 THR 86 2.085 3.449 -16.921 694 H ILE 87 H ILE 87 4.843 2.210 -15.438 695 HA ILE 87 HA ILE 87 6.849 3.677 -17.104 696 HB ILE 87 HB ILE 87 8.549 1.966 -16.391 697 HG12 ILE 87 HG12 ILE 87 7.004 0.345 -15.387 698 HG13 ILE 87 HG13 ILE 87 8.466 0.728 -14.460 699 HG21 ILE 87 HG21 ILE 87 9.191 3.176 -14.356 700 HG22 ILE 87 HG22 ILE 87 8.759 4.232 -15.719 701 HG23 ILE 87 HG23 ILE 87 7.624 4.019 -14.380 702 HD11 ILE 87 HD11 ILE 87 6.648 2.420 -13.290 703 HD12 ILE 87 HD12 ILE 87 5.611 1.112 -13.845 704 HD13 ILE 87 HD13 ILE 87 6.964 0.734 -12.755 705 H GLU 88 H GLU 88 7.938 2.346 -18.645 706 HA GLU 88 HA GLU 88 6.178 0.178 -19.747 707 HB2 GLU 88 HB2 GLU 88 7.418 2.506 -21.225 708 HB3 GLU 88 HB3 GLU 88 6.998 0.992 -22.033 709 HG2 GLU 88 HG2 GLU 88 4.662 1.207 -21.316 710 HG3 GLU 88 HG3 GLU 88 5.034 2.719 -20.503 711 H VAL 89 H VAL 89 7.385 -1.559 -19.090 712 HA VAL 89 HA VAL 89 10.288 -1.499 -19.280 713 HB VAL 89 HB VAL 89 10.303 -3.479 -18.104 714 HG11 VAL 89 HG11 VAL 89 8.357 -1.420 -16.904 715 HG12 VAL 89 HG12 VAL 89 9.219 -2.629 -15.957 716 HG13 VAL 89 HG13 VAL 89 10.131 -1.383 -16.829 717 HG21 VAL 89 HG21 VAL 89 7.235 -3.429 -17.993 718 HG22 VAL 89 HG22 VAL 89 8.197 -4.648 -18.843 719 HG23 VAL 89 HG23 VAL 89 8.284 -4.537 -17.088 720 H THR 90 H THR 90 9.753 -1.223 -21.586 721 HA THR 90 HA THR 90 8.914 -3.033 -23.406 722 HB THR 90 HB THR 90 11.258 -1.172 -23.928 723 HG1 THR 90 HG1 THR 90 9.685 0.419 -24.172 724 HG21 THR 90 HG21 THR 90 10.047 -0.822 -26.059 725 HG22 THR 90 HG22 THR 90 10.509 -2.525 -25.833 726 HG23 THR 90 HG23 THR 90 8.824 -2.008 -25.529 727 H THR 91 H THR 91 9.495 -4.934 -24.156 728 HA THR 91 HA THR 91 11.557 -6.398 -22.958 729 HB THR 91 HB THR 91 10.962 -8.243 -24.403 730 HG1 THR 91 HG1 THR 91 9.647 -6.272 -25.942 731 HG21 THR 91 HG21 THR 91 8.436 -6.673 -23.731 732 HG22 THR 91 HG22 THR 91 8.590 -8.422 -23.980 733 HG23 THR 91 HG23 THR 91 9.382 -7.654 -22.587 734 H GLU 92 H GLU 92 11.890 -4.516 -25.875 735 HA GLU 92 HA GLU 92 13.949 -5.982 -27.157 736 HB2 GLU 92 HB2 GLU 92 12.608 -4.177 -28.174 737 HB3 GLU 92 HB3 GLU 92 13.435 -2.982 -27.169 738 HG2 GLU 92 HG2 GLU 92 15.576 -3.497 -28.255 739 HG3 GLU 92 HG3 GLU 92 14.835 -4.812 -29.158 740 H GLU 93 H GLU 93 14.261 -3.375 -24.717 741 HA GLU 93 HA GLU 93 16.884 -4.237 -23.829 742 HB2 GLU 93 HB2 GLU 93 17.515 -3.145 -26.008 743 HB3 GLU 93 HB3 GLU 93 16.733 -1.669 -25.475 744 HG2 GLU 93 HG2 GLU 93 19.151 -1.523 -25.254 745 HG3 GLU 93 HG3 GLU 93 18.367 -1.372 -23.697 746 H GLU 94 H GLU 94 14.607 -1.468 -24.011 747 HA GLU 94 HA GLU 94 15.631 -0.038 -21.809 748 HB2 GLU 94 HB2 GLU 94 12.834 -0.022 -22.998 749 HB3 GLU 94 HB3 GLU 94 13.449 1.207 -21.902 750 HG2 GLU 94 HG2 GLU 94 14.775 0.616 -24.581 751 HG3 GLU 94 HG3 GLU 94 13.457 1.751 -24.386 752 H LEU 95 H LEU 95 13.910 -2.927 -21.566 753 HA LEU 95 HA LEU 95 12.422 -3.081 -19.324 754 HB2 LEU 95 HB2 LEU 95 13.161 -4.915 -20.728 755 HB3 LEU 95 HB3 LEU 95 14.807 -4.775 -20.168 756 HG LEU 95 HG LEU 95 13.530 -6.728 -19.351 757 HD11 LEU 95 HD11 LEU 95 14.422 -5.039 -16.989 758 HD12 LEU 95 HD12 LEU 95 14.375 -6.797 -17.134 759 HD13 LEU 95 HD13 LEU 95 15.531 -5.882 -18.106 760 HD21 LEU 95 HD21 LEU 95 11.348 -5.582 -18.975 761 HD22 LEU 95 HD22 LEU 95 11.892 -6.582 -17.616 762 HD23 LEU 95 HD23 LEU 95 12.050 -4.820 -17.522 763 H ARG 96 H ARG 96 16.032 -3.024 -19.037 764 HA ARG 96 HA ARG 96 16.035 -2.959 -16.168 765 HB2 ARG 96 HB2 ARG 96 18.143 -1.969 -18.144 766 HB3 ARG 96 HB3 ARG 96 18.409 -2.193 -16.419 767 HG2 ARG 96 HG2 ARG 96 17.703 -4.412 -18.389 768 HG3 ARG 96 HG3 ARG 96 19.317 -4.031 -17.786 769 HD2 ARG 96 HD2 ARG 96 18.547 -4.506 -15.462 770 HD3 ARG 96 HD3 ARG 96 16.966 -4.991 -16.105 771 HE ARG 96 HE ARG 96 18.834 -6.503 -17.527 772 HH11 ARG 96 HH11 ARG 96 17.937 -6.265 -14.143 773 HH12 ARG 96 HH12 ARG 96 18.461 -7.899 -13.801 774 HH21 ARG 96 HH21 ARG 96 19.494 -8.552 -17.028 775 HH22 ARG 96 HH22 ARG 96 19.314 -9.156 -15.403 776 H LYS 97 H LYS 97 16.436 -0.295 -18.452 777 HA LYS 97 HA LYS 97 16.726 1.846 -16.588 778 HB2 LYS 97 HB2 LYS 97 17.325 1.903 -18.991 779 HB3 LYS 97 HB3 LYS 97 15.609 1.844 -19.427 780 HG2 LYS 97 HG2 LYS 97 15.302 4.012 -18.152 781 HG3 LYS 97 HG3 LYS 97 17.052 4.081 -17.940 782 HD2 LYS 97 HD2 LYS 97 15.663 3.957 -20.666 783 HD3 LYS 97 HD3 LYS 97 16.015 5.447 -19.814 784 HE2 LYS 97 HE2 LYS 97 17.742 5.282 -21.338 785 HE3 LYS 97 HE3 LYS 97 18.465 4.820 -19.806 786 HZ1 LYS 97 HZ1 LYS 97 19.081 3.357 -21.695 787 HZ2 LYS 97 HZ2 LYS 97 18.348 2.497 -20.524 788 HZ3 LYS 97 HZ3 LYS 97 17.535 2.901 -21.878 789 H ALA 98 H ALA 98 13.797 0.670 -18.258 790 HA ALA 98 HA ALA 98 11.956 2.501 -17.073 791 HB1 ALA 98 HB1 ALA 98 11.497 1.271 -19.130 792 HB2 ALA 98 HB2 ALA 98 11.639 -0.272 -18.242 793 HB3 ALA 98 HB3 ALA 98 10.291 0.818 -17.892 794 H VAL 99 H VAL 99 12.782 -0.913 -16.124 795 HA VAL 99 HA VAL 99 10.899 -1.054 -14.006 796 HB VAL 99 HB VAL 99 13.575 -2.438 -14.419 797 HG11 VAL 99 HG11 VAL 99 11.520 -3.064 -12.262 798 HG12 VAL 99 HG12 VAL 99 12.898 -4.093 -12.694 799 HG13 VAL 99 HG13 VAL 99 13.189 -2.499 -12.001 800 HG21 VAL 99 HG21 VAL 99 12.243 -4.411 -14.971 801 HG22 VAL 99 HG22 VAL 99 10.739 -3.587 -14.515 802 HG23 VAL 99 HG23 VAL 99 11.649 -3.071 -15.955 803 H ALA 100 H ALA 100 14.335 -0.070 -14.070 804 HA ALA 100 HA ALA 100 14.571 0.557 -11.328 805 HB1 ALA 100 HB1 ALA 100 16.066 1.749 -13.694 806 HB2 ALA 100 HB2 ALA 100 16.561 1.827 -11.989 807 HB3 ALA 100 HB3 ALA 100 16.486 0.260 -12.818 808 H LYS 101 H LYS 101 13.476 2.625 -14.030 809 HA LYS 101 HA LYS 101 13.351 5.116 -12.758 810 HB2 LYS 101 HB2 LYS 101 12.577 4.041 -15.268 811 HB3 LYS 101 HB3 LYS 101 11.106 4.710 -14.599 812 HG2 LYS 101 HG2 LYS 101 12.129 6.434 -15.880 813 HG3 LYS 101 HG3 LYS 101 12.373 6.881 -14.191 814 HD2 LYS 101 HD2 LYS 101 14.713 6.002 -14.314 815 HD3 LYS 101 HD3 LYS 101 14.433 5.534 -16.002 816 HE2 LYS 101 HE2 LYS 101 13.974 7.893 -16.587 817 HE3 LYS 101 HE3 LYS 101 14.207 8.375 -14.920 818 HZ1 LYS 101 HZ1 LYS 101 16.524 7.650 -15.082 819 HZ2 LYS 101 HZ2 LYS 101 16.313 7.147 -16.621 820 HZ3 LYS 101 HZ3 LYS 101 16.205 8.731 -16.259 821 H ALA 102 H ALA 102 11.142 2.470 -12.215 822 HA ALA 102 HA ALA 102 9.768 4.219 -10.193 823 HB1 ALA 102 HB1 ALA 102 8.572 2.278 -12.136 824 HB2 ALA 102 HB2 ALA 102 7.660 3.041 -10.803 825 HB3 ALA 102 HB3 ALA 102 8.321 4.059 -12.105 826 H ARG 103 H ARG 103 9.971 0.676 -11.093 827 HA ARG 103 HA ARG 103 9.196 -0.171 -8.450 828 HB2 ARG 103 HB2 ARG 103 8.957 -1.503 -10.505 829 HB3 ARG 103 HB3 ARG 103 10.707 -1.750 -10.545 830 HG2 ARG 103 HG2 ARG 103 10.683 -3.035 -8.532 831 HG3 ARG 103 HG3 ARG 103 9.076 -2.425 -8.066 832 HD2 ARG 103 HD2 ARG 103 8.045 -3.596 -9.905 833 HD3 ARG 103 HD3 ARG 103 9.630 -4.217 -10.448 834 HE ARG 103 HE ARG 103 9.300 -4.969 -7.736 835 HH11 ARG 103 HH11 ARG 103 7.835 -5.816 -10.812 836 HH12 ARG 103 HH12 ARG 103 7.345 -7.395 -10.235 837 HH21 ARG 103 HH21 ARG 103 8.646 -6.969 -7.072 838 HH22 ARG 103 HH22 ARG 103 7.809 -8.029 -8.172 839 H GLY 104 H GLY 104 12.247 0.804 -9.784 840 HA2 GLY 104 HA2 GLY 104 13.816 0.020 -7.354 841 HA3 GLY 104 HA3 GLY 104 14.428 0.971 -8.715 842 H SER 105 H SER 105 12.903 3.020 -9.048 843 HA SER 105 HA SER 105 13.858 4.922 -7.276 844 HB2 SER 105 HB2 SER 105 13.129 5.545 -9.462 845 HB3 SER 105 HB3 SER 105 11.502 4.906 -9.164 846 HG SER 105 HG SER 105 12.691 7.238 -8.098 847 H TRP 106 H TRP 106 10.587 3.427 -7.157 848 HA TRP 106 HA TRP 106 9.438 4.946 -5.097 849 HB2 TRP 106 HB2 TRP 106 8.428 3.188 -6.667 850 HB3 TRP 106 HB3 TRP 106 8.975 1.980 -5.531 851 HD1 TRP 106 HD1 TRP 106 6.167 4.278 -6.221 852 HE1 TRP 106 HE1 TRP 106 4.464 4.350 -4.339 853 HE3 TRP 106 HE3 TRP 106 8.812 1.732 -2.645 854 HZ2 TRP 106 HZ2 TRP 106 4.345 3.621 -1.532 855 HZ3 TRP 106 HZ3 TRP 106 7.877 1.457 -0.374 856 HH2 TRP 106 HH2 TRP 106 5.669 2.432 0.206 857 H SER 107 H SER 107 11.451 1.967 -4.804 858 HA SER 107 HA SER 107 11.245 1.896 -1.911 859 HB2 SER 107 HB2 SER 107 12.862 0.192 -1.941 860 HB3 SER 107 HB3 SER 107 11.803 -0.086 -3.330 861 HG SER 107 HG SER 107 13.505 1.010 -4.591 862 H LEU 108 H LEU 108 13.328 3.584 -4.205 863 HA LEU 108 HA LEU 108 15.388 4.278 -2.350 864 HB2 LEU 108 HB2 LEU 108 14.795 4.380 -5.233 865 HB3 LEU 108 HB3 LEU 108 15.368 5.941 -4.686 866 HG LEU 108 HG LEU 108 17.176 4.602 -5.518 867 HD11 LEU 108 HD11 LEU 108 17.423 4.545 -2.492 868 HD12 LEU 108 HD12 LEU 108 18.725 4.686 -3.695 869 HD13 LEU 108 HD13 LEU 108 17.563 6.020 -3.474 870 HD21 LEU 108 HD21 LEU 108 17.846 2.452 -4.556 871 HD22 LEU 108 HD22 LEU 108 16.456 2.480 -3.455 872 HD23 LEU 108 HD23 LEU 108 16.194 2.367 -5.202 873 H GLU 109 H GLU 109 12.329 5.674 -3.305 874 HA GLU 109 HA GLU 109 12.745 8.354 -2.294 875 HB2 GLU 109 HB2 GLU 109 10.130 6.851 -2.503 876 HB3 GLU 109 HB3 GLU 109 10.365 8.601 -2.497 877 HG2 GLU 109 HG2 GLU 109 11.860 7.881 -4.706 878 HG3 GLU 109 HG3 GLU 109 10.647 6.615 -4.682 879 H HIS 110 H HIS 110 11.311 5.404 -0.916 880 HA HIS 110 HA HIS 110 10.641 6.829 1.590 881 HB2 HIS 110 HB2 HIS 110 9.757 4.157 0.441 882 HB3 HIS 110 HB3 HIS 110 9.257 4.773 2.010 883 HD2 HIS 110 HD2 HIS 110 8.387 5.023 -1.636 884 HE1 HIS 110 HE1 HIS 110 6.086 8.058 0.259 885 HE2 HIS 110 HE2 HIS 110 6.434 6.761 -1.897 886 H HIS 111 H HIS 111 13.043 4.604 0.532 887 HA HIS 111 HA HIS 111 13.639 3.463 3.151 888 HB2 HIS 111 HB2 HIS 111 14.459 2.390 1.114 889 HB3 HIS 111 HB3 HIS 111 15.453 3.809 0.744 890 HD2 HIS 111 HD2 HIS 111 17.852 3.787 1.756 891 HE1 HIS 111 HE1 HIS 111 17.321 0.962 4.896 892 HE2 HIS 111 HE2 HIS 111 19.000 2.451 3.730 893 H HIS 112 H HIS 112 15.136 4.057 4.659 894 HA HIS 112 HA HIS 112 16.799 6.447 4.442 895 HB2 HIS 112 HB2 HIS 112 14.438 7.311 4.971 896 HB3 HIS 112 HB3 HIS 112 14.608 6.540 6.542 897 HD2 HIS 112 HD2 HIS 112 16.498 7.614 8.209 898 HE1 HIS 112 HE1 HIS 112 17.052 11.226 6.017 899 HE2 HIS 112 HE2 HIS 112 17.504 10.052 8.226 900 H HIS 113 H HIS 113 15.620 3.743 6.411 901 HA HIS 113 HA HIS 113 17.243 4.180 8.681 902 HB2 HIS 113 HB2 HIS 113 15.170 2.666 8.286 903 HB3 HIS 113 HB3 HIS 113 16.336 1.437 7.798 904 HD2 HIS 113 HD2 HIS 113 14.864 0.419 10.103 905 HE1 HIS 113 HE1 HIS 113 17.483 2.289 12.894 906 HE2 HIS 113 HE2 HIS 113 15.669 0.529 12.605 907 H HIS 114 H HIS 114 18.919 2.771 9.551 908 HA HIS 114 HA HIS 114 20.979 1.816 7.633 909 HB2 HIS 114 HB2 HIS 114 22.617 3.460 8.576 910 HB3 HIS 114 HB3 HIS 114 21.308 4.192 7.672 911 HD2 HIS 114 HD2 HIS 114 19.788 5.935 8.870 912 HE1 HIS 114 HE1 HIS 114 21.302 5.568 12.833 913 HE2 HIS 114 HE2 HIS 114 19.754 6.898 11.319 914 H HIS 115 H HIS 115 19.375 0.723 10.024 915 HA HIS 115 HA HIS 115 21.050 0.096 12.212 916 HB2 HIS 115 HB2 HIS 115 19.493 -1.696 12.665 917 HB3 HIS 115 HB3 HIS 115 18.622 -0.254 12.189 918 HD2 HIS 115 HD2 HIS 115 18.721 -3.875 11.535 919 HE1 HIS 115 HE1 HIS 115 16.800 -2.295 8.077 920 HE2 HIS 115 HE2 HIS 115 17.317 -4.419 9.372 Start of MODEL 9 1 H1 MET 1 H1 MET 1 1.642 1.813 0.373 2 H2 MET 1 H2 MET 1 1.168 0.245 0.462 3 H3 MET 1 H3 MET 1 0.176 1.360 -0.195 4 HA MET 1 HA MET 1 1.622 1.717 -2.036 5 HB2 MET 1 HB2 MET 1 3.675 1.218 -0.614 6 HB3 MET 1 HB3 MET 1 3.393 -0.495 -0.890 7 HG2 MET 1 HG2 MET 1 3.653 1.504 -3.161 8 HG3 MET 1 HG3 MET 1 5.074 0.842 -2.384 9 HE1 MET 1 HE1 MET 1 5.172 -2.004 -2.017 10 HE2 MET 1 HE2 MET 1 5.512 -2.680 -3.628 11 HE3 MET 1 HE3 MET 1 6.307 -1.172 -3.109 12 H ARG 2 H ARG 2 1.297 0.548 -3.953 13 HA ARG 2 HA ARG 2 0.296 -2.210 -3.892 14 HB2 ARG 2 HB2 ARG 2 -1.735 -0.687 -3.656 15 HB3 ARG 2 HB3 ARG 2 -1.279 0.060 -5.169 16 HG2 ARG 2 HG2 ARG 2 -1.609 -1.966 -6.432 17 HG3 ARG 2 HG3 ARG 2 -1.586 -2.979 -4.997 18 HD2 ARG 2 HD2 ARG 2 -3.765 -1.065 -5.826 19 HD3 ARG 2 HD3 ARG 2 -3.834 -2.828 -5.944 20 HE ARG 2 HE ARG 2 -4.502 -1.235 -3.690 21 HH11 ARG 2 HH11 ARG 2 -3.048 -4.415 -4.330 22 HH12 ARG 2 HH12 ARG 2 -3.152 -4.873 -2.673 23 HH21 ARG 2 HH21 ARG 2 -4.772 -2.036 -1.606 24 HH22 ARG 2 HH22 ARG 2 -4.265 -3.679 -1.255 25 H VAL 3 H VAL 3 0.637 -3.304 -5.733 26 HA VAL 3 HA VAL 3 2.173 -1.951 -7.903 27 HB VAL 3 HB VAL 3 2.350 -4.806 -6.850 28 HG11 VAL 3 HG11 VAL 3 3.986 -3.429 -9.037 29 HG12 VAL 3 HG12 VAL 3 4.320 -5.033 -8.345 30 HG13 VAL 3 HG13 VAL 3 2.845 -4.769 -9.285 31 HG21 VAL 3 HG21 VAL 3 4.315 -2.497 -6.652 32 HG22 VAL 3 HG22 VAL 3 3.428 -3.270 -5.317 33 HG23 VAL 3 HG23 VAL 3 4.661 -4.178 -6.187 34 H ILE 4 H ILE 4 1.639 -2.316 -9.997 35 HA ILE 4 HA ILE 4 -0.393 -4.377 -10.698 36 HB ILE 4 HB ILE 4 -0.565 -1.437 -11.245 37 HG12 ILE 4 HG12 ILE 4 -2.245 -3.665 -10.014 38 HG13 ILE 4 HG13 ILE 4 -1.819 -2.122 -9.321 39 HG21 ILE 4 HG21 ILE 4 -2.042 -3.555 -12.821 40 HG22 ILE 4 HG22 ILE 4 -2.252 -1.789 -12.935 41 HG23 ILE 4 HG23 ILE 4 -0.731 -2.487 -13.443 42 HD11 ILE 4 HD11 ILE 4 -3.407 -1.087 -11.027 43 HD12 ILE 4 HD12 ILE 4 -3.956 -2.731 -11.416 44 HD13 ILE 4 HD13 ILE 4 -4.163 -2.105 -9.769 45 H VAL 5 H VAL 5 -0.121 -5.288 -12.610 46 HA VAL 5 HA VAL 5 2.069 -4.270 -14.344 47 HB VAL 5 HB VAL 5 1.586 -7.219 -13.907 48 HG11 VAL 5 HG11 VAL 5 2.428 -6.617 -16.184 49 HG12 VAL 5 HG12 VAL 5 3.775 -5.729 -15.438 50 HG13 VAL 5 HG13 VAL 5 3.640 -7.490 -15.239 51 HG21 VAL 5 HG21 VAL 5 3.816 -7.246 -12.852 52 HG22 VAL 5 HG22 VAL 5 3.878 -5.477 -12.916 53 HG23 VAL 5 HG23 VAL 5 2.667 -6.305 -11.906 54 H VAL 6 H VAL 6 1.134 -3.522 -16.128 55 HA VAL 6 HA VAL 6 -1.277 -4.953 -17.218 56 HB VAL 6 HB VAL 6 -0.331 -2.175 -17.944 57 HG11 VAL 6 HG11 VAL 6 -2.640 -1.999 -18.866 58 HG12 VAL 6 HG12 VAL 6 -1.648 -3.179 -19.705 59 HG13 VAL 6 HG13 VAL 6 -2.888 -3.721 -18.533 60 HG21 VAL 6 HG21 VAL 6 -1.080 -2.052 -15.636 61 HG22 VAL 6 HG22 VAL 6 -2.398 -1.439 -16.630 62 HG23 VAL 6 HG23 VAL 6 -2.493 -3.087 -15.989 63 H ILE 7 H ILE 7 -1.192 -5.786 -19.295 64 HA ILE 7 HA ILE 7 1.410 -5.540 -20.795 65 HB ILE 7 HB ILE 7 -0.203 -8.083 -20.469 66 HG12 ILE 7 HG12 ILE 7 2.056 -8.817 -19.304 67 HG13 ILE 7 HG13 ILE 7 2.237 -7.097 -18.964 68 HG21 ILE 7 HG21 ILE 7 2.427 -7.464 -21.865 69 HG22 ILE 7 HG22 ILE 7 1.895 -9.109 -21.474 70 HG23 ILE 7 HG23 ILE 7 0.932 -8.124 -22.563 71 HD11 ILE 7 HD11 ILE 7 -0.223 -8.739 -18.173 72 HD12 ILE 7 HD12 ILE 7 1.199 -8.556 -17.134 73 HD13 ILE 7 HD13 ILE 7 0.248 -7.129 -17.573 74 H VAL 8 H VAL 8 1.289 -5.171 -22.971 75 HA VAL 8 HA VAL 8 -1.292 -4.859 -24.260 76 HB VAL 8 HB VAL 8 1.524 -4.828 -25.422 77 HG11 VAL 8 HG11 VAL 8 0.440 -3.641 -27.346 78 HG12 VAL 8 HG12 VAL 8 -0.058 -5.331 -27.211 79 HG13 VAL 8 HG13 VAL 8 -1.153 -4.037 -26.661 80 HG21 VAL 8 HG21 VAL 8 1.165 -2.371 -25.510 81 HG22 VAL 8 HG22 VAL 8 -0.388 -2.571 -24.665 82 HG23 VAL 8 HG23 VAL 8 1.131 -2.970 -23.850 83 H GLY 9 H GLY 9 -2.513 -6.631 -24.521 84 HA2 GLY 9 HA2 GLY 9 -2.028 -8.572 -26.453 85 HA3 GLY 9 HA3 GLY 9 -1.517 -9.300 -24.925 86 HA PRO 10 HA PRO 10 -2.381 -11.312 -25.800 87 HB2 PRO 10 HB2 PRO 10 -4.041 -13.045 -27.078 88 HB3 PRO 10 HB3 PRO 10 -3.906 -12.953 -25.302 89 HG2 PRO 10 HG2 PRO 10 -5.988 -11.637 -27.072 90 HG3 PRO 10 HG3 PRO 10 -6.259 -12.620 -25.594 91 HD2 PRO 10 HD2 PRO 10 -6.204 -9.890 -25.532 92 HD3 PRO 10 HD3 PRO 10 -5.540 -10.860 -24.186 93 H SER 11 H SER 11 -1.563 -12.018 -27.832 94 HA SER 11 HA SER 11 -0.818 -11.877 -29.919 95 HB2 SER 11 HB2 SER 11 -3.221 -12.256 -30.505 96 HB3 SER 11 HB3 SER 11 -3.382 -10.508 -30.757 97 HG SER 11 HG SER 11 -2.875 -11.668 -32.682 98 H GLY 12 H GLY 12 -2.123 -8.818 -28.698 99 HA2 GLY 12 HA2 GLY 12 -1.092 -6.923 -30.374 100 HA3 GLY 12 HA3 GLY 12 -1.238 -6.693 -28.633 101 H ALA 13 H ALA 13 0.799 -8.236 -27.566 102 HA ALA 13 HA ALA 13 3.305 -7.535 -29.047 103 HB1 ALA 13 HB1 ALA 13 4.311 -6.824 -26.955 104 HB2 ALA 13 HB2 ALA 13 2.788 -5.938 -27.191 105 HB3 ALA 13 HB3 ALA 13 2.865 -7.290 -26.046 106 H GLY 14 H GLY 14 1.542 -10.134 -28.174 107 HA2 GLY 14 HA2 GLY 14 3.308 -12.128 -28.744 108 HA3 GLY 14 HA3 GLY 14 3.624 -11.860 -27.034 109 H LYS 15 H LYS 15 2.960 -14.185 -27.330 110 HA LYS 15 HA LYS 15 0.040 -14.608 -26.803 111 HB2 LYS 15 HB2 LYS 15 0.188 -16.634 -28.197 112 HB3 LYS 15 HB3 LYS 15 0.577 -15.175 -29.111 113 HG2 LYS 15 HG2 LYS 15 3.003 -15.654 -28.878 114 HG3 LYS 15 HG3 LYS 15 2.625 -17.111 -27.943 115 HD2 LYS 15 HD2 LYS 15 1.496 -18.092 -29.915 116 HD3 LYS 15 HD3 LYS 15 1.791 -16.604 -30.828 117 HE2 LYS 15 HE2 LYS 15 3.528 -18.101 -31.468 118 HE3 LYS 15 HE3 LYS 15 4.249 -16.880 -30.419 119 HZ1 LYS 15 HZ1 LYS 15 3.472 -19.632 -29.598 120 HZ2 LYS 15 HZ2 LYS 15 4.999 -19.114 -29.827 121 HZ3 LYS 15 HZ3 LYS 15 4.120 -18.527 -28.586 122 H THR 16 H THR 16 3.129 -15.124 -25.592 123 HA THR 16 HA THR 16 2.165 -17.120 -23.574 124 HB THR 16 HB THR 16 4.875 -17.302 -24.940 125 HG1 THR 16 HG1 THR 16 2.580 -18.879 -25.405 126 HG21 THR 16 HG21 THR 16 4.830 -18.363 -22.734 127 HG22 THR 16 HG22 THR 16 3.341 -19.238 -23.147 128 HG23 THR 16 HG23 THR 16 4.868 -19.603 -23.987 129 H THR 17 H THR 17 4.561 -14.628 -24.479 130 HA THR 17 HA THR 17 5.883 -14.227 -22.070 131 HB THR 17 HB THR 17 6.436 -13.092 -24.145 132 HG1 THR 17 HG1 THR 17 6.975 -11.161 -23.168 133 HG21 THR 17 HG21 THR 17 4.240 -11.064 -23.625 134 HG22 THR 17 HG22 THR 17 5.269 -11.250 -25.058 135 HG23 THR 17 HG23 THR 17 3.980 -12.427 -24.719 136 H LEU 18 H LEU 18 2.773 -12.652 -22.982 137 HA LEU 18 HA LEU 18 2.281 -11.330 -20.537 138 HB2 LEU 18 HB2 LEU 18 0.005 -11.115 -21.328 139 HB3 LEU 18 HB3 LEU 18 1.120 -10.909 -22.661 140 HG LEU 18 HG LEU 18 0.616 -13.541 -23.047 141 HD11 LEU 18 HD11 LEU 18 -2.001 -12.486 -21.875 142 HD12 LEU 18 HD12 LEU 18 -1.756 -14.047 -22.681 143 HD13 LEU 18 HD13 LEU 18 -1.004 -13.732 -21.117 144 HD21 LEU 18 HD21 LEU 18 0.279 -11.732 -24.683 145 HD22 LEU 18 HD22 LEU 18 -1.070 -12.875 -24.674 146 HD23 LEU 18 HD23 LEU 18 -1.246 -11.297 -23.876 147 H ASP 19 H ASP 19 2.044 -14.649 -21.250 148 HA ASP 19 HA ASP 19 0.048 -15.376 -19.202 149 HB2 ASP 19 HB2 ASP 19 0.720 -16.465 -21.524 150 HB3 ASP 19 HB3 ASP 19 1.896 -17.340 -20.573 151 H GLU 20 H GLU 20 3.439 -16.283 -19.843 152 HA GLU 20 HA GLU 20 3.973 -17.230 -17.252 153 HB2 GLU 20 HB2 GLU 20 6.261 -17.299 -17.821 154 HB3 GLU 20 HB3 GLU 20 5.345 -17.687 -19.284 155 HG2 GLU 20 HG2 GLU 20 5.744 -15.477 -20.189 156 HG3 GLU 20 HG3 GLU 20 6.537 -14.941 -18.700 157 H LEU 21 H LEU 21 3.921 -13.983 -18.534 158 HA LEU 21 HA LEU 21 5.238 -12.637 -16.309 159 HB2 LEU 21 HB2 LEU 21 3.514 -11.856 -18.645 160 HB3 LEU 21 HB3 LEU 21 3.575 -10.743 -17.321 161 HG LEU 21 HG LEU 21 5.204 -10.513 -19.359 162 HD11 LEU 21 HD11 LEU 21 6.114 -10.159 -16.474 163 HD12 LEU 21 HD12 LEU 21 6.747 -9.270 -17.885 164 HD13 LEU 21 HD13 LEU 21 5.066 -9.040 -17.371 165 HD21 LEU 21 HD21 LEU 21 6.994 -12.192 -17.549 166 HD22 LEU 21 HD22 LEU 21 6.409 -12.686 -19.153 167 HD23 LEU 21 HD23 LEU 21 7.463 -11.287 -19.003 168 H ALA 22 H ALA 22 1.712 -12.934 -17.135 169 HA ALA 22 HA ALA 22 0.800 -11.880 -14.708 170 HB1 ALA 22 HB1 ALA 22 -0.598 -12.167 -16.697 171 HB2 ALA 22 HB2 ALA 22 -0.515 -13.934 -16.534 172 HB3 ALA 22 HB3 ALA 22 -1.345 -12.958 -15.302 173 H ARG 23 H ARG 23 1.493 -15.266 -15.499 174 HA ARG 23 HA ARG 23 0.760 -16.482 -13.031 175 HB2 ARG 23 HB2 ARG 23 2.786 -17.225 -15.184 176 HB3 ARG 23 HB3 ARG 23 2.394 -18.284 -13.828 177 HG2 ARG 23 HG2 ARG 23 0.167 -18.624 -14.546 178 HG3 ARG 23 HG3 ARG 23 0.151 -17.186 -15.553 179 HD2 ARG 23 HD2 ARG 23 0.182 -19.054 -16.993 180 HD3 ARG 23 HD3 ARG 23 1.749 -18.259 -17.135 181 HE ARG 23 HE ARG 23 2.056 -20.297 -15.210 182 HH11 ARG 23 HH11 ARG 23 1.231 -20.165 -18.632 183 HH12 ARG 23 HH12 ARG 23 1.960 -21.715 -18.961 184 HH21 ARG 23 HH21 ARG 23 2.986 -22.266 -15.720 185 HH22 ARG 23 HH22 ARG 23 2.919 -22.868 -17.354 186 H LYS 24 H LYS 24 4.142 -15.658 -14.048 187 HA LYS 24 HA LYS 24 5.220 -16.242 -11.465 188 HB2 LYS 24 HB2 LYS 24 6.333 -14.645 -13.799 189 HB3 LYS 24 HB3 LYS 24 7.227 -14.914 -12.300 190 HG2 LYS 24 HG2 LYS 24 7.004 -17.349 -12.529 191 HG3 LYS 24 HG3 LYS 24 6.111 -17.165 -14.038 192 HD2 LYS 24 HD2 LYS 24 8.954 -16.141 -13.616 193 HD3 LYS 24 HD3 LYS 24 8.561 -17.737 -14.261 194 HE2 LYS 24 HE2 LYS 24 7.247 -16.656 -16.088 195 HE3 LYS 24 HE3 LYS 24 7.772 -15.074 -15.512 196 HZ1 LYS 24 HZ1 LYS 24 9.662 -17.210 -16.334 197 HZ2 LYS 24 HZ2 LYS 24 9.153 -16.059 -17.350 198 HZ3 LYS 24 HZ3 LYS 24 10.037 -15.647 -16.037 199 H ALA 25 H ALA 25 4.314 -13.057 -12.863 200 HA ALA 25 HA ALA 25 4.998 -11.459 -10.600 201 HB1 ALA 25 HB1 ALA 25 3.434 -9.842 -11.521 202 HB2 ALA 25 HB2 ALA 25 4.417 -10.531 -12.816 203 HB3 ALA 25 HB3 ALA 25 2.729 -11.058 -12.596 204 H LYS 26 H LYS 26 1.579 -12.766 -11.285 205 HA LYS 26 HA LYS 26 0.818 -11.954 -8.704 206 HB2 LYS 26 HB2 LYS 26 -0.656 -12.642 -10.702 207 HB3 LYS 26 HB3 LYS 26 -0.431 -14.312 -10.146 208 HG2 LYS 26 HG2 LYS 26 -2.391 -13.779 -9.038 209 HG3 LYS 26 HG3 LYS 26 -1.224 -13.292 -7.813 210 HD2 LYS 26 HD2 LYS 26 -1.420 -10.924 -9.118 211 HD3 LYS 26 HD3 LYS 26 -3.014 -11.620 -9.530 212 HE2 LYS 26 HE2 LYS 26 -2.940 -12.246 -6.910 213 HE3 LYS 26 HE3 LYS 26 -1.761 -10.931 -6.898 214 HZ1 LYS 26 HZ1 LYS 26 -4.566 -10.663 -7.853 215 HZ2 LYS 26 HZ2 LYS 26 -4.009 -10.152 -6.403 216 HZ3 LYS 26 HZ3 LYS 26 -3.440 -9.461 -7.752 217 H GLU 27 H GLU 27 2.462 -15.015 -9.564 218 HA GLU 27 HA GLU 27 2.129 -16.302 -7.044 219 HB2 GLU 27 HB2 GLU 27 3.507 -16.874 -9.396 220 HB3 GLU 27 HB3 GLU 27 4.825 -16.584 -8.283 221 HG2 GLU 27 HG2 GLU 27 3.796 -18.193 -6.656 222 HG3 GLU 27 HG3 GLU 27 2.530 -18.534 -7.826 223 H GLU 28 H GLU 28 4.757 -14.132 -8.106 224 HA GLU 28 HA GLU 28 5.918 -14.065 -5.415 225 HB2 GLU 28 HB2 GLU 28 7.757 -12.986 -6.343 226 HB3 GLU 28 HB3 GLU 28 7.253 -14.220 -7.495 227 HG2 GLU 28 HG2 GLU 28 6.011 -12.292 -8.728 228 HG3 GLU 28 HG3 GLU 28 6.898 -11.213 -7.668 229 H VAL 29 H VAL 29 3.710 -12.052 -7.093 230 HA VAL 29 HA VAL 29 3.532 -10.165 -4.827 231 HB VAL 29 HB VAL 29 3.189 -8.257 -6.241 232 HG11 VAL 29 HG11 VAL 29 5.472 -8.767 -5.336 233 HG12 VAL 29 HG12 VAL 29 5.867 -9.479 -6.929 234 HG13 VAL 29 HG13 VAL 29 5.460 -7.768 -6.803 235 HG21 VAL 29 HG21 VAL 29 2.643 -9.579 -8.412 236 HG22 VAL 29 HG22 VAL 29 3.694 -8.143 -8.556 237 HG23 VAL 29 HG23 VAL 29 4.388 -9.785 -8.571 238 HA PRO 30 HA PRO 30 -0.480 -12.206 -5.756 239 HB2 PRO 30 HB2 PRO 30 -1.043 -12.931 -3.176 240 HB3 PRO 30 HB3 PRO 30 0.043 -13.884 -4.255 241 HG2 PRO 30 HG2 PRO 30 0.773 -11.820 -2.151 242 HG3 PRO 30 HG3 PRO 30 1.462 -13.457 -2.365 243 HD2 PRO 30 HD2 PRO 30 2.662 -11.220 -3.392 244 HD3 PRO 30 HD3 PRO 30 2.688 -12.782 -4.284 245 H ASP 31 H ASP 31 0.477 -9.436 -4.158 246 HA ASP 31 HA ASP 31 -2.295 -8.511 -3.510 247 HB2 ASP 31 HB2 ASP 31 0.073 -8.329 -2.058 248 HB3 ASP 31 HB3 ASP 31 -0.023 -6.755 -2.813 249 H ALA 32 H ALA 32 0.040 -8.440 -5.933 250 HA ALA 32 HA ALA 32 -0.590 -5.770 -6.931 251 HB1 ALA 32 HB1 ALA 32 1.003 -8.013 -8.249 252 HB2 ALA 32 HB2 ALA 32 1.054 -6.302 -8.674 253 HB3 ALA 32 HB3 ALA 32 1.709 -6.843 -7.107 254 H GLU 33 H GLU 33 -1.454 -5.487 -9.167 255 HA GLU 33 HA GLU 33 -3.421 -7.678 -9.838 256 HB2 GLU 33 HB2 GLU 33 -3.905 -4.898 -10.770 257 HB3 GLU 33 HB3 GLU 33 -5.030 -6.188 -10.444 258 HG2 GLU 33 HG2 GLU 33 -3.503 -4.595 -8.342 259 HG3 GLU 33 HG3 GLU 33 -5.099 -4.237 -8.912 260 H ILE 34 H ILE 34 -2.783 -8.823 -11.495 261 HA ILE 34 HA ILE 34 -1.305 -7.507 -13.671 262 HB ILE 34 HB ILE 34 -1.561 -10.481 -13.427 263 HG12 ILE 34 HG12 ILE 34 -1.024 -9.962 -11.170 264 HG13 ILE 34 HG13 ILE 34 0.309 -10.694 -11.973 265 HG21 ILE 34 HG21 ILE 34 -0.375 -10.079 -15.310 266 HG22 ILE 34 HG22 ILE 34 0.149 -8.475 -14.825 267 HG23 ILE 34 HG23 ILE 34 0.991 -9.889 -14.182 268 HD11 ILE 34 HD11 ILE 34 1.505 -8.559 -12.085 269 HD12 ILE 34 HD12 ILE 34 0.108 -7.678 -11.446 270 HD13 ILE 34 HD13 ILE 34 0.935 -8.871 -10.420 271 H ARG 35 H ARG 35 -2.262 -7.063 -15.524 272 HA ARG 35 HA ARG 35 -4.336 -8.832 -16.659 273 HB2 ARG 35 HB2 ARG 35 -5.929 -6.977 -17.105 274 HB3 ARG 35 HB3 ARG 35 -5.823 -7.393 -15.417 275 HG2 ARG 35 HG2 ARG 35 -4.251 -5.067 -16.592 276 HG3 ARG 35 HG3 ARG 35 -5.920 -4.981 -16.001 277 HD2 ARG 35 HD2 ARG 35 -4.771 -6.237 -13.883 278 HD3 ARG 35 HD3 ARG 35 -3.400 -5.347 -14.468 279 HE ARG 35 HE ARG 35 -4.753 -3.238 -14.180 280 HH11 ARG 35 HH11 ARG 35 -6.386 -6.052 -12.751 281 HH12 ARG 35 HH12 ARG 35 -7.455 -4.952 -11.883 282 HH21 ARG 35 HH21 ARG 35 -6.272 -2.083 -13.057 283 HH22 ARG 35 HH22 ARG 35 -7.314 -2.974 -11.956 284 H THR 36 H THR 36 -5.129 -8.075 -18.862 285 HA THR 36 HA THR 36 -2.937 -6.696 -20.326 286 HB THR 36 HB THR 36 -3.038 -8.206 -22.143 287 HG1 THR 36 HG1 THR 36 -4.990 -8.838 -22.512 288 HG21 THR 36 HG21 THR 36 -1.952 -9.144 -19.934 289 HG22 THR 36 HG22 THR 36 -3.341 -10.234 -19.920 290 HG23 THR 36 HG23 THR 36 -2.240 -10.215 -21.313 291 H VAL 37 H VAL 37 -3.450 -5.782 -22.360 292 HA VAL 37 HA VAL 37 -6.281 -5.003 -22.891 293 HB VAL 37 HB VAL 37 -6.098 -2.880 -22.603 294 HG11 VAL 37 HG11 VAL 37 -3.559 -3.346 -21.080 295 HG12 VAL 37 HG12 VAL 37 -4.622 -1.914 -21.028 296 HG13 VAL 37 HG13 VAL 37 -5.261 -3.485 -20.487 297 HG21 VAL 37 HG21 VAL 37 -4.992 -2.259 -24.409 298 HG22 VAL 37 HG22 VAL 37 -4.144 -1.433 -23.100 299 HG23 VAL 37 HG23 VAL 37 -3.381 -2.858 -23.839 300 H THR 38 H THR 38 -6.722 -4.499 -24.865 301 HA THR 38 HA THR 38 -4.650 -5.067 -26.994 302 HB THR 38 HB THR 38 -6.139 -6.993 -26.500 303 HG1 THR 38 HG1 THR 38 -6.449 -7.470 -28.629 304 HG21 THR 38 HG21 THR 38 -8.325 -5.432 -27.910 305 HG22 THR 38 HG22 THR 38 -8.427 -7.027 -27.129 306 HG23 THR 38 HG23 THR 38 -8.224 -5.572 -26.145 307 H THR 39 H THR 39 -7.068 -2.932 -25.956 308 HA THR 39 HA THR 39 -6.839 -1.139 -28.319 309 HB THR 39 HB THR 39 -9.422 -0.939 -28.153 310 HG1 THR 39 HG1 THR 39 -10.360 -2.981 -27.496 311 HG21 THR 39 HG21 THR 39 -8.429 -3.566 -29.299 312 HG22 THR 39 HG22 THR 39 -9.898 -2.677 -29.731 313 HG23 THR 39 HG23 THR 39 -8.310 -1.981 -30.098 314 H LYS 40 H LYS 40 -8.016 0.889 -27.942 315 HA LYS 40 HA LYS 40 -7.120 2.237 -25.675 316 HB2 LYS 40 HB2 LYS 40 -8.622 4.066 -26.426 317 HB3 LYS 40 HB3 LYS 40 -7.636 3.368 -27.688 318 HG2 LYS 40 HG2 LYS 40 -9.582 3.677 -28.795 319 HG3 LYS 40 HG3 LYS 40 -9.732 1.986 -28.363 320 HD2 LYS 40 HD2 LYS 40 -11.332 2.614 -26.530 321 HD3 LYS 40 HD3 LYS 40 -11.025 4.312 -26.865 322 HE2 LYS 40 HE2 LYS 40 -13.123 3.729 -27.844 323 HE3 LYS 40 HE3 LYS 40 -11.987 4.022 -29.145 324 HZ1 LYS 40 HZ1 LYS 40 -11.761 1.596 -29.408 325 HZ2 LYS 40 HZ2 LYS 40 -12.809 1.328 -28.170 326 HZ3 LYS 40 HZ3 LYS 40 -13.321 2.038 -29.533 327 H GLU 41 H GLU 41 -10.080 0.471 -26.087 328 HA GLU 41 HA GLU 41 -11.416 1.584 -23.736 329 HB2 GLU 41 HB2 GLU 41 -13.104 -0.180 -24.180 330 HB3 GLU 41 HB3 GLU 41 -12.709 0.822 -25.601 331 HG2 GLU 41 HG2 GLU 41 -11.327 -0.926 -26.536 332 HG3 GLU 41 HG3 GLU 41 -11.575 -1.962 -25.132 333 H ASP 42 H ASP 42 -9.596 -1.394 -24.440 334 HA ASP 42 HA ASP 42 -9.922 -2.491 -21.772 335 HB2 ASP 42 HB2 ASP 42 -7.975 -3.075 -24.003 336 HB3 ASP 42 HB3 ASP 42 -7.940 -3.830 -22.448 337 H ALA 43 H ALA 43 -7.461 -0.433 -23.286 338 HA ALA 43 HA ALA 43 -5.784 -0.220 -20.965 339 HB1 ALA 43 HB1 ALA 43 -5.014 0.455 -23.069 340 HB2 ALA 43 HB2 ALA 43 -6.363 1.580 -23.333 341 HB3 ALA 43 HB3 ALA 43 -5.111 1.935 -22.095 342 H LYS 44 H LYS 44 -8.619 1.679 -22.019 343 HA LYS 44 HA LYS 44 -8.669 3.410 -19.769 344 HB2 LYS 44 HB2 LYS 44 -9.854 3.842 -21.872 345 HB3 LYS 44 HB3 LYS 44 -11.022 2.571 -21.496 346 HG2 LYS 44 HG2 LYS 44 -11.949 3.777 -19.710 347 HG3 LYS 44 HG3 LYS 44 -10.472 4.692 -19.404 348 HD2 LYS 44 HD2 LYS 44 -10.835 5.904 -21.583 349 HD3 LYS 44 HD3 LYS 44 -12.454 5.165 -21.654 350 HE2 LYS 44 HE2 LYS 44 -12.904 6.130 -19.365 351 HE3 LYS 44 HE3 LYS 44 -11.322 6.897 -19.406 352 HZ1 LYS 44 HZ1 LYS 44 -12.064 8.154 -21.371 353 HZ2 LYS 44 HZ2 LYS 44 -13.544 7.467 -21.296 354 HZ3 LYS 44 HZ3 LYS 44 -13.046 8.451 -20.103 355 H ARG 45 H ARG 45 -10.347 0.257 -20.214 356 HA ARG 45 HA ARG 45 -11.661 0.356 -17.686 357 HB2 ARG 45 HB2 ARG 45 -12.577 -1.644 -18.073 358 HB3 ARG 45 HB3 ARG 45 -12.298 -1.042 -19.685 359 HG2 ARG 45 HG2 ARG 45 -10.060 -2.516 -19.430 360 HG3 ARG 45 HG3 ARG 45 -11.029 -3.359 -18.222 361 HD2 ARG 45 HD2 ARG 45 -11.857 -2.828 -21.106 362 HD3 ARG 45 HD3 ARG 45 -11.039 -4.304 -20.569 363 HE ARG 45 HE ARG 45 -13.387 -3.990 -19.020 364 HH11 ARG 45 HH11 ARG 45 -12.466 -4.696 -22.359 365 HH12 ARG 45 HH12 ARG 45 -13.958 -5.538 -22.686 366 HH21 ARG 45 HH21 ARG 45 -15.281 -5.103 -19.537 367 HH22 ARG 45 HH22 ARG 45 -15.495 -5.771 -21.135 368 H VAL 46 H VAL 46 -8.640 -1.380 -18.573 369 HA VAL 46 HA VAL 46 -8.178 -2.348 -15.922 370 HB VAL 46 HB VAL 46 -5.953 -2.775 -16.496 371 HG11 VAL 46 HG11 VAL 46 -7.666 -3.428 -18.943 372 HG12 VAL 46 HG12 VAL 46 -6.232 -4.295 -18.391 373 HG13 VAL 46 HG13 VAL 46 -7.707 -4.290 -17.399 374 HG21 VAL 46 HG21 VAL 46 -4.887 -2.268 -18.612 375 HG22 VAL 46 HG22 VAL 46 -6.227 -1.147 -18.999 376 HG23 VAL 46 HG23 VAL 46 -5.158 -0.857 -17.598 377 H ALA 47 H ALA 47 -7.159 0.727 -17.414 378 HA ALA 47 HA ALA 47 -5.686 1.522 -15.069 379 HB1 ALA 47 HB1 ALA 47 -5.369 2.302 -17.486 380 HB2 ALA 47 HB2 ALA 47 -6.800 3.303 -17.255 381 HB3 ALA 47 HB3 ALA 47 -5.347 3.546 -16.230 382 H GLU 48 H GLU 48 -8.947 2.592 -16.278 383 HA GLU 48 HA GLU 48 -9.550 4.178 -14.002 384 HB2 GLU 48 HB2 GLU 48 -11.731 4.273 -14.750 385 HB3 GLU 48 HB3 GLU 48 -10.787 4.105 -16.228 386 HG2 GLU 48 HG2 GLU 48 -11.263 1.652 -16.206 387 HG3 GLU 48 HG3 GLU 48 -12.224 1.818 -14.780 388 H GLU 49 H GLU 49 -9.367 0.717 -14.307 389 HA GLU 49 HA GLU 49 -10.768 0.150 -11.777 390 HB2 GLU 49 HB2 GLU 49 -10.083 -1.545 -13.857 391 HB3 GLU 49 HB3 GLU 49 -8.701 -1.736 -12.853 392 HG2 GLU 49 HG2 GLU 49 -10.589 -1.971 -10.917 393 HG3 GLU 49 HG3 GLU 49 -11.555 -2.481 -12.304 394 H ALA 50 H ALA 50 -7.342 0.293 -12.857 395 HA ALA 50 HA ALA 50 -6.093 -0.284 -10.391 396 HB1 ALA 50 HB1 ALA 50 -5.208 1.461 -12.703 397 HB2 ALA 50 HB2 ALA 50 -4.158 0.941 -11.380 398 HB3 ALA 50 HB3 ALA 50 -4.857 -0.278 -12.480 399 H GLU 51 H GLU 51 -7.457 2.816 -11.508 400 HA GLU 51 HA GLU 51 -6.237 4.279 -9.280 401 HB2 GLU 51 HB2 GLU 51 -7.360 6.193 -10.092 402 HB3 GLU 51 HB3 GLU 51 -6.814 5.256 -11.483 403 HG2 GLU 51 HG2 GLU 51 -8.844 5.378 -12.337 404 HG3 GLU 51 HG3 GLU 51 -9.457 4.374 -11.031 405 H ARG 52 H ARG 52 -8.860 2.245 -9.474 406 HA ARG 52 HA ARG 52 -10.448 3.391 -7.240 407 HB2 ARG 52 HB2 ARG 52 -10.676 0.523 -8.240 408 HB3 ARG 52 HB3 ARG 52 -11.884 1.500 -7.421 409 HG2 ARG 52 HG2 ARG 52 -10.823 1.844 -10.232 410 HG3 ARG 52 HG3 ARG 52 -12.432 1.274 -9.804 411 HD2 ARG 52 HD2 ARG 52 -11.305 4.064 -9.407 412 HD3 ARG 52 HD3 ARG 52 -12.541 3.587 -10.566 413 HE ARG 52 HE ARG 52 -13.875 2.928 -8.392 414 HH11 ARG 52 HH11 ARG 52 -14.933 4.062 -6.815 415 HH12 ARG 52 HH12 ARG 52 -14.496 5.722 -6.479 416 HH21 ARG 52 HH21 ARG 52 -11.929 5.875 -8.738 417 HH22 ARG 52 HH22 ARG 52 -12.874 6.715 -7.548 418 H ARG 53 H ARG 53 -8.194 0.740 -7.712 419 HA ARG 53 HA ARG 53 -7.986 0.222 -4.799 420 HB2 ARG 53 HB2 ARG 53 -6.797 -1.803 -5.468 421 HB3 ARG 53 HB3 ARG 53 -8.358 -1.691 -6.289 422 HG2 ARG 53 HG2 ARG 53 -6.562 -0.465 -8.088 423 HG3 ARG 53 HG3 ARG 53 -5.615 -1.772 -7.400 424 HD2 ARG 53 HD2 ARG 53 -8.355 -2.067 -8.700 425 HD3 ARG 53 HD3 ARG 53 -6.813 -2.556 -9.417 426 HE ARG 53 HE ARG 53 -6.657 -4.037 -7.235 427 HH11 ARG 53 HH11 ARG 53 -9.300 -3.967 -9.429 428 HH12 ARG 53 HH12 ARG 53 -10.201 -5.198 -8.578 429 HH21 ARG 53 HH21 ARG 53 -7.502 -5.783 -6.514 430 HH22 ARG 53 HH22 ARG 53 -9.107 -6.337 -6.966 431 H ASN 54 H ASN 54 -6.476 2.082 -7.041 432 HA ASN 54 HA ASN 54 -4.862 3.639 -6.807 433 HB2 ASN 54 HB2 ASN 54 -5.407 2.806 -3.999 434 HB3 ASN 54 HB3 ASN 54 -4.082 3.957 -4.320 435 HD21 ASN 54 HD21 ASN 54 -8.025 4.910 -5.106 436 HD22 ASN 54 HD22 ASN 54 -7.561 3.282 -4.674 437 H ALA 55 H ALA 55 -3.928 1.846 -8.080 438 HA ALA 55 HA ALA 55 -1.680 0.365 -7.190 439 HB1 ALA 55 HB1 ALA 55 -2.307 1.433 -9.956 440 HB2 ALA 55 HB2 ALA 55 -1.204 0.103 -9.521 441 HB3 ALA 55 HB3 ALA 55 -2.967 -0.041 -9.192 442 H ASP 56 H ASP 56 -0.348 1.613 -5.914 443 HA ASP 56 HA ASP 56 0.660 4.144 -6.402 444 HB2 ASP 56 HB2 ASP 56 0.952 2.210 -4.463 445 HB3 ASP 56 HB3 ASP 56 2.576 2.256 -5.122 446 H ILE 57 H ILE 57 1.812 1.065 -7.667 447 HA ILE 57 HA ILE 57 3.609 2.469 -9.568 448 HB ILE 57 HB ILE 57 4.384 -0.258 -8.526 449 HG12 ILE 57 HG12 ILE 57 4.987 2.326 -7.053 450 HG13 ILE 57 HG13 ILE 57 4.120 0.915 -6.435 451 HG21 ILE 57 HG21 ILE 57 6.009 2.134 -9.475 452 HG22 ILE 57 HG22 ILE 57 6.608 0.477 -9.250 453 HG23 ILE 57 HG23 ILE 57 5.456 0.835 -10.542 454 HD11 ILE 57 HD11 ILE 57 6.285 0.906 -5.474 455 HD12 ILE 57 HD12 ILE 57 6.200 -0.444 -6.625 456 HD13 ILE 57 HD13 ILE 57 7.070 1.062 -7.051 457 H VAL 58 H VAL 58 3.096 2.035 -11.577 458 HA VAL 58 HA VAL 58 1.638 -0.449 -12.364 459 HB VAL 58 HB VAL 58 0.818 1.303 -14.232 460 HG11 VAL 58 HG11 VAL 58 -0.409 0.891 -11.519 461 HG12 VAL 58 HG12 VAL 58 -1.241 1.614 -12.922 462 HG13 VAL 58 HG13 VAL 58 -0.679 -0.055 -13.021 463 HG21 VAL 58 HG21 VAL 58 2.021 3.215 -13.022 464 HG22 VAL 58 HG22 VAL 58 0.298 3.446 -13.347 465 HG23 VAL 58 HG23 VAL 58 0.882 3.025 -11.700 466 H VAL 59 H VAL 59 3.243 -1.650 -13.020 467 HA VAL 59 HA VAL 59 5.236 -0.787 -15.011 468 HB VAL 59 HB VAL 59 4.588 -3.495 -13.780 469 HG11 VAL 59 HG11 VAL 59 5.529 -3.951 -15.967 470 HG12 VAL 59 HG12 VAL 59 6.774 -2.700 -15.733 471 HG13 VAL 59 HG13 VAL 59 6.807 -4.196 -14.776 472 HG21 VAL 59 HG21 VAL 59 7.003 -1.665 -13.381 473 HG22 VAL 59 HG22 VAL 59 5.658 -1.838 -12.230 474 HG23 VAL 59 HG23 VAL 59 6.701 -3.216 -12.579 475 H ILE 60 H ILE 60 4.337 -0.338 -16.981 476 HA ILE 60 HA ILE 60 2.271 -2.101 -18.151 477 HB ILE 60 HB ILE 60 3.756 0.117 -19.504 478 HG12 ILE 60 HG12 ILE 60 2.782 1.111 -17.393 479 HG13 ILE 60 HG13 ILE 60 2.295 1.843 -18.900 480 HG21 ILE 60 HG21 ILE 60 1.556 0.290 -20.768 481 HG22 ILE 60 HG22 ILE 60 2.501 -1.184 -21.038 482 HG23 ILE 60 HG23 ILE 60 1.080 -1.232 -19.981 483 HD11 ILE 60 HD11 ILE 60 0.639 -0.087 -17.243 484 HD12 ILE 60 HD12 ILE 60 0.430 1.687 -17.376 485 HD13 ILE 60 HD13 ILE 60 0.135 0.665 -18.782 486 H VAL 61 H VAL 61 2.786 -3.606 -19.743 487 HA VAL 61 HA VAL 61 5.634 -3.989 -20.564 488 HB VAL 61 HB VAL 61 3.530 -6.135 -20.404 489 HG11 VAL 61 HG11 VAL 61 5.384 -6.620 -21.942 490 HG12 VAL 61 HG12 VAL 61 6.562 -6.209 -20.674 491 HG13 VAL 61 HG13 VAL 61 5.511 -7.630 -20.500 492 HG21 VAL 61 HG21 VAL 61 5.704 -5.497 -18.362 493 HG22 VAL 61 HG22 VAL 61 3.950 -5.365 -18.100 494 HG23 VAL 61 HG23 VAL 61 4.675 -6.943 -18.379 495 H GLY 62 H GLY 62 5.994 -3.585 -22.647 496 HA2 GLY 62 HA2 GLY 62 4.128 -4.350 -24.775 497 HA3 GLY 62 HA3 GLY 62 4.376 -2.611 -24.581 498 HA PRO 63 HA PRO 63 7.678 -4.635 -27.272 499 HB2 PRO 63 HB2 PRO 63 7.217 -3.352 -29.631 500 HB3 PRO 63 HB3 PRO 63 6.352 -4.838 -29.117 501 HG2 PRO 63 HG2 PRO 63 5.356 -1.985 -29.031 502 HG3 PRO 63 HG3 PRO 63 4.465 -3.468 -29.460 503 HD2 PRO 63 HD2 PRO 63 4.373 -2.256 -26.968 504 HD3 PRO 63 HD3 PRO 63 4.104 -4.005 -27.225 505 H SER 64 H SER 64 6.768 -1.322 -28.111 506 HA SER 64 HA SER 64 9.120 0.077 -27.121 507 HB2 SER 64 HB2 SER 64 10.092 0.607 -29.250 508 HB3 SER 64 HB3 SER 64 9.961 -1.155 -29.182 509 HG SER 64 HG SER 64 8.320 -1.087 -30.627 510 H GLY 65 H GLY 65 9.074 2.399 -28.322 511 HA2 GLY 65 HA2 GLY 65 6.271 3.406 -28.441 512 HA3 GLY 65 HA3 GLY 65 7.747 4.375 -28.360 513 H SER 66 H SER 66 7.907 1.819 -30.687 514 HA SER 66 HA SER 66 8.135 3.817 -32.816 515 HB2 SER 66 HB2 SER 66 9.777 1.921 -32.105 516 HB3 SER 66 HB3 SER 66 8.716 0.861 -33.031 517 HG SER 66 HG SER 66 10.183 3.124 -33.940 518 H GLY 67 H GLY 67 5.455 2.111 -31.851 519 HA2 GLY 67 HA2 GLY 67 4.196 2.068 -34.516 520 HA3 GLY 67 HA3 GLY 67 4.527 0.490 -33.800 521 H LYS 68 H LYS 68 2.376 0.000 -33.745 522 HA LYS 68 HA LYS 68 0.187 1.495 -32.894 523 HB2 LYS 68 HB2 LYS 68 -1.058 -0.369 -33.331 524 HB3 LYS 68 HB3 LYS 68 0.365 -0.647 -34.302 525 HG2 LYS 68 HG2 LYS 68 -0.450 -1.966 -31.694 526 HG3 LYS 68 HG3 LYS 68 -0.269 -2.710 -33.278 527 HD2 LYS 68 HD2 LYS 68 2.221 -2.365 -33.108 528 HD3 LYS 68 HD3 LYS 68 1.985 -1.620 -31.526 529 HE2 LYS 68 HE2 LYS 68 2.651 -3.841 -31.109 530 HE3 LYS 68 HE3 LYS 68 0.944 -3.728 -30.695 531 HZ1 LYS 68 HZ1 LYS 68 0.445 -4.791 -32.840 532 HZ2 LYS 68 HZ2 LYS 68 2.047 -4.917 -33.185 533 HZ3 LYS 68 HZ3 LYS 68 1.414 -5.721 -31.918 534 H SER 69 H SER 69 2.406 0.925 -30.667 535 HA SER 69 HA SER 69 1.126 -0.436 -28.471 536 HB2 SER 69 HB2 SER 69 3.151 0.416 -27.243 537 HB3 SER 69 HB3 SER 69 3.509 -0.458 -28.732 538 HG SER 69 HG SER 69 4.691 1.448 -28.590 539 H THR 70 H THR 70 -0.168 2.177 -29.601 540 HA THR 70 HA THR 70 -0.166 4.268 -27.785 541 HB THR 70 HB THR 70 -2.796 3.368 -28.895 542 HG1 THR 70 HG1 THR 70 -2.159 4.187 -30.905 543 HG21 THR 70 HG21 THR 70 -1.365 6.069 -28.843 544 HG22 THR 70 HG22 THR 70 -3.030 5.774 -29.390 545 HG23 THR 70 HG23 THR 70 -2.607 5.545 -27.689 546 H LEU 71 H LEU 71 -1.990 1.202 -27.474 547 HA LEU 71 HA LEU 71 -3.691 1.886 -25.362 548 HB2 LEU 71 HB2 LEU 71 -2.432 -0.832 -25.445 549 HB3 LEU 71 HB3 LEU 71 -4.074 -0.346 -25.073 550 HG LEU 71 HG LEU 71 -4.404 -1.450 -26.984 551 HD11 LEU 71 HD11 LEU 71 -3.830 1.194 -28.375 552 HD12 LEU 71 HD12 LEU 71 -5.023 -0.031 -28.767 553 HD13 LEU 71 HD13 LEU 71 -5.209 0.956 -27.289 554 HD21 LEU 71 HD21 LEU 71 -3.004 -1.550 -28.944 555 HD22 LEU 71 HD22 LEU 71 -1.873 -0.363 -28.277 556 HD23 LEU 71 HD23 LEU 71 -2.069 -1.947 -27.497 557 H ALA 72 H ALA 72 -0.294 0.999 -25.227 558 HA ALA 72 HA ALA 72 -0.057 0.736 -22.364 559 HB1 ALA 72 HB1 ALA 72 2.068 1.381 -24.472 560 HB2 ALA 72 HB2 ALA 72 2.380 0.872 -22.819 561 HB3 ALA 72 HB3 ALA 72 1.585 -0.239 -23.948 562 H LYS 73 H LYS 73 0.622 3.512 -24.601 563 HA LYS 73 HA LYS 73 1.117 5.306 -22.382 564 HB2 LYS 73 HB2 LYS 73 1.082 7.154 -23.884 565 HB3 LYS 73 HB3 LYS 73 2.098 5.870 -24.500 566 HG2 LYS 73 HG2 LYS 73 0.816 5.523 -26.345 567 HG3 LYS 73 HG3 LYS 73 -0.707 5.883 -25.507 568 HD2 LYS 73 HD2 LYS 73 1.195 8.129 -26.158 569 HD3 LYS 73 HD3 LYS 73 0.048 7.496 -27.348 570 HE2 LYS 73 HE2 LYS 73 -1.816 7.786 -25.685 571 HE3 LYS 73 HE3 LYS 73 -0.686 8.550 -24.581 572 HZ1 LYS 73 HZ1 LYS 73 -0.303 10.275 -26.280 573 HZ2 LYS 73 HZ2 LYS 73 -1.372 9.565 -27.288 574 HZ3 LYS 73 HZ3 LYS 73 -1.881 10.210 -25.887 575 H ILE 74 H ILE 74 -1.893 4.368 -23.975 576 HA ILE 74 HA ILE 74 -3.524 6.442 -22.864 577 HB ILE 74 HB ILE 74 -4.185 3.621 -23.777 578 HG12 ILE 74 HG12 ILE 74 -4.908 6.299 -25.039 579 HG13 ILE 74 HG13 ILE 74 -3.445 5.458 -25.457 580 HG21 ILE 74 HG21 ILE 74 -6.577 4.269 -23.716 581 HG22 ILE 74 HG22 ILE 74 -5.894 4.281 -22.101 582 HG23 ILE 74 HG23 ILE 74 -6.135 5.818 -22.955 583 HD11 ILE 74 HD11 ILE 74 -5.093 4.952 -27.133 584 HD12 ILE 74 HD12 ILE 74 -4.885 3.464 -26.203 585 HD13 ILE 74 HD13 ILE 74 -6.297 4.499 -25.925 586 H VAL 75 H VAL 75 -2.820 3.086 -21.593 587 HA VAL 75 HA VAL 75 -4.087 3.446 -19.066 588 HB VAL 75 HB VAL 75 -1.595 1.842 -19.786 589 HG11 VAL 75 HG11 VAL 75 -1.798 2.174 -17.282 590 HG12 VAL 75 HG12 VAL 75 -3.428 1.469 -17.356 591 HG13 VAL 75 HG13 VAL 75 -2.019 0.491 -17.787 592 HG21 VAL 75 HG21 VAL 75 -3.483 1.045 -21.047 593 HG22 VAL 75 HG22 VAL 75 -3.076 -0.112 -19.804 594 HG23 VAL 75 HG23 VAL 75 -4.480 0.961 -19.561 595 H LYS 76 H LYS 76 -0.675 4.076 -20.001 596 HA LYS 76 HA LYS 76 0.177 5.123 -17.518 597 HB2 LYS 76 HB2 LYS 76 1.728 4.471 -19.225 598 HB3 LYS 76 HB3 LYS 76 1.128 5.701 -20.342 599 HG2 LYS 76 HG2 LYS 76 2.271 7.406 -19.385 600 HG3 LYS 76 HG3 LYS 76 2.133 6.770 -17.752 601 HD2 LYS 76 HD2 LYS 76 4.489 6.821 -18.584 602 HD3 LYS 76 HD3 LYS 76 3.938 5.245 -18.045 603 HE2 LYS 76 HE2 LYS 76 5.219 4.853 -19.940 604 HE3 LYS 76 HE3 LYS 76 3.561 4.533 -20.384 605 HZ1 LYS 76 HZ1 LYS 76 4.726 5.766 -22.063 606 HZ2 LYS 76 HZ2 LYS 76 3.521 6.719 -21.504 607 HZ3 LYS 76 HZ3 LYS 76 5.075 7.002 -21.062 608 H LYS 77 H LYS 77 -1.540 6.837 -20.090 609 HA LYS 77 HA LYS 77 -1.341 9.428 -18.716 610 HB2 LYS 77 HB2 LYS 77 -3.044 8.433 -21.030 611 HB3 LYS 77 HB3 LYS 77 -3.291 10.014 -20.304 612 HG2 LYS 77 HG2 LYS 77 -0.713 9.103 -21.640 613 HG3 LYS 77 HG3 LYS 77 -1.923 10.196 -22.303 614 HD2 LYS 77 HD2 LYS 77 -1.442 11.740 -20.291 615 HD3 LYS 77 HD3 LYS 77 -0.075 10.677 -19.930 616 HE2 LYS 77 HE2 LYS 77 0.917 12.364 -21.165 617 HE3 LYS 77 HE3 LYS 77 0.700 11.075 -22.344 618 HZ1 LYS 77 HZ1 LYS 77 -0.010 13.228 -23.227 619 HZ2 LYS 77 HZ2 LYS 77 -1.330 12.286 -23.104 620 HZ3 LYS 77 HZ3 LYS 77 -1.059 13.453 -21.998 621 H ILE 78 H ILE 78 -3.800 6.824 -18.686 622 HA ILE 78 HA ILE 78 -5.619 8.323 -17.033 623 HB ILE 78 HB ILE 78 -5.332 5.319 -17.323 624 HG12 ILE 78 HG12 ILE 78 -6.531 7.412 -18.989 625 HG13 ILE 78 HG13 ILE 78 -6.066 5.758 -19.345 626 HG21 ILE 78 HG21 ILE 78 -7.537 6.956 -15.992 627 HG22 ILE 78 HG22 ILE 78 -7.597 5.206 -16.300 628 HG23 ILE 78 HG23 ILE 78 -6.418 5.831 -15.173 629 HD11 ILE 78 HD11 ILE 78 -8.701 6.663 -18.148 630 HD12 ILE 78 HD12 ILE 78 -8.413 6.030 -19.784 631 HD13 ILE 78 HD13 ILE 78 -8.227 4.964 -18.373 632 H ILE 79 H ILE 79 -2.847 6.209 -16.129 633 HA ILE 79 HA ILE 79 -3.505 6.629 -13.297 634 HB ILE 79 HB ILE 79 -1.227 5.040 -14.491 635 HG12 ILE 79 HG12 ILE 79 -3.340 4.095 -15.298 636 HG13 ILE 79 HG13 ILE 79 -2.631 3.051 -14.093 637 HG21 ILE 79 HG21 ILE 79 -2.379 5.378 -11.703 638 HG22 ILE 79 HG22 ILE 79 -1.623 3.845 -12.152 639 HG23 ILE 79 HG23 ILE 79 -0.691 5.353 -12.266 640 HD11 ILE 79 HD11 ILE 79 -4.937 4.995 -13.557 641 HD12 ILE 79 HD12 ILE 79 -5.056 3.258 -13.839 642 HD13 ILE 79 HD13 ILE 79 -4.237 3.869 -12.380 643 H ALA 80 H ALA 80 -1.201 8.033 -15.557 644 HA ALA 80 HA ALA 80 0.678 9.007 -13.786 645 HB1 ALA 80 HB1 ALA 80 -0.464 10.278 -16.300 646 HB2 ALA 80 HB2 ALA 80 0.983 10.877 -15.476 647 HB3 ALA 80 HB3 ALA 80 0.999 9.253 -16.170 648 H ARG 81 H ARG 81 -2.563 10.348 -14.503 649 HA ARG 81 HA ARG 81 -2.157 12.471 -12.479 650 HB2 ARG 81 HB2 ARG 81 -3.930 13.644 -13.285 651 HB3 ARG 81 HB3 ARG 81 -3.200 13.020 -14.748 652 HG2 ARG 81 HG2 ARG 81 -5.599 11.753 -13.355 653 HG3 ARG 81 HG3 ARG 81 -5.730 12.982 -14.620 654 HD2 ARG 81 HD2 ARG 81 -4.671 11.509 -16.242 655 HD3 ARG 81 HD3 ARG 81 -4.336 10.314 -14.993 656 HE ARG 81 HE ARG 81 -6.528 9.611 -14.959 657 HH11 ARG 81 HH11 ARG 81 -6.323 12.317 -17.176 658 HH12 ARG 81 HH12 ARG 81 -7.930 12.042 -17.814 659 HH21 ARG 81 HH21 ARG 81 -8.592 9.355 -15.753 660 HH22 ARG 81 HH22 ARG 81 -9.163 10.397 -17.026 661 H ALA 82 H ALA 82 -3.625 9.319 -12.658 662 HA ALA 82 HA ALA 82 -5.546 9.549 -10.563 663 HB1 ALA 82 HB1 ALA 82 -3.700 7.200 -11.174 664 HB2 ALA 82 HB2 ALA 82 -5.217 7.138 -10.290 665 HB3 ALA 82 HB3 ALA 82 -5.236 7.523 -12.033 666 H GLY 83 H GLY 83 -2.117 9.636 -10.489 667 HA2 GLY 83 HA2 GLY 83 -1.218 10.884 -8.546 668 HA3 GLY 83 HA3 GLY 83 -2.171 9.829 -7.495 669 H ALA 84 H ALA 84 -0.504 8.300 -10.150 670 HA ALA 84 HA ALA 84 1.509 7.141 -8.260 671 HB1 ALA 84 HB1 ALA 84 -0.418 5.877 -10.223 672 HB2 ALA 84 HB2 ALA 84 0.964 5.001 -9.555 673 HB3 ALA 84 HB3 ALA 84 -0.310 5.616 -8.473 674 H LYS 85 H LYS 85 2.955 5.584 -9.703 675 HA LYS 85 HA LYS 85 4.055 7.159 -11.985 676 HB2 LYS 85 HB2 LYS 85 6.270 6.339 -11.367 677 HB3 LYS 85 HB3 LYS 85 5.523 7.292 -10.072 678 HG2 LYS 85 HG2 LYS 85 4.823 5.188 -8.943 679 HG3 LYS 85 HG3 LYS 85 5.535 4.238 -10.210 680 HD2 LYS 85 HD2 LYS 85 6.880 4.316 -8.185 681 HD3 LYS 85 HD3 LYS 85 7.801 4.933 -9.556 682 HE2 LYS 85 HE2 LYS 85 6.385 6.865 -7.686 683 HE3 LYS 85 HE3 LYS 85 7.863 6.079 -7.167 684 HZ1 LYS 85 HZ1 LYS 85 7.626 7.879 -9.504 685 HZ2 LYS 85 HZ2 LYS 85 8.467 8.127 -8.138 686 HZ3 LYS 85 HZ3 LYS 85 8.966 6.996 -9.169 687 H THR 86 H THR 86 4.150 6.275 -13.753 688 HA THR 86 HA THR 86 3.730 3.347 -14.117 689 HB THR 86 HB THR 86 2.921 5.384 -16.194 690 HG1 THR 86 HG1 THR 86 1.144 6.067 -15.175 691 HG21 THR 86 HG21 THR 86 1.945 2.699 -15.498 692 HG22 THR 86 HG22 THR 86 0.693 3.870 -15.926 693 HG23 THR 86 HG23 THR 86 2.034 3.558 -17.043 694 H ILE 87 H ILE 87 4.856 2.215 -15.536 695 HA ILE 87 HA ILE 87 6.896 3.633 -17.211 696 HB ILE 87 HB ILE 87 8.547 1.843 -16.528 697 HG12 ILE 87 HG12 ILE 87 6.930 0.304 -15.522 698 HG13 ILE 87 HG13 ILE 87 8.432 0.592 -14.640 699 HG21 ILE 87 HG21 ILE 87 7.738 3.942 -14.527 700 HG22 ILE 87 HG22 ILE 87 9.267 3.025 -14.511 701 HG23 ILE 87 HG23 ILE 87 8.869 4.093 -15.881 702 HD11 ILE 87 HD11 ILE 87 7.055 0.709 -12.852 703 HD12 ILE 87 HD12 ILE 87 6.678 2.372 -13.428 704 HD13 ILE 87 HD13 ILE 87 5.644 1.015 -13.868 705 H GLU 88 H GLU 88 7.976 2.192 -18.713 706 HA GLU 88 HA GLU 88 6.127 0.108 -19.823 707 HB2 GLU 88 HB2 GLU 88 7.491 2.372 -21.319 708 HB3 GLU 88 HB3 GLU 88 6.932 0.906 -22.112 709 HG2 GLU 88 HG2 GLU 88 4.622 1.317 -21.344 710 HG3 GLU 88 HG3 GLU 88 5.152 2.792 -20.548 711 H VAL 89 H VAL 89 7.351 -1.557 -18.949 712 HA VAL 89 HA VAL 89 10.229 -1.764 -19.498 713 HB VAL 89 HB VAL 89 10.247 -3.774 -18.272 714 HG11 VAL 89 HG11 VAL 89 8.412 -1.713 -16.954 715 HG12 VAL 89 HG12 VAL 89 9.121 -3.085 -16.101 716 HG13 VAL 89 HG13 VAL 89 10.173 -1.862 -16.824 717 HG21 VAL 89 HG21 VAL 89 8.262 -4.982 -18.979 718 HG22 VAL 89 HG22 VAL 89 8.218 -4.794 -17.232 719 HG23 VAL 89 HG23 VAL 89 7.211 -3.744 -18.243 720 H THR 90 H THR 90 10.835 -2.084 -21.579 721 HA THR 90 HA THR 90 9.026 -3.301 -23.481 722 HB THR 90 HB THR 90 10.909 -3.069 -25.094 723 HG1 THR 90 HG1 THR 90 12.731 -2.778 -24.334 724 HG21 THR 90 HG21 THR 90 10.740 -0.647 -25.261 725 HG22 THR 90 HG22 THR 90 9.179 -1.367 -24.874 726 HG23 THR 90 HG23 THR 90 10.112 -0.552 -23.594 727 H THR 91 H THR 91 9.950 -4.964 -25.071 728 HA THR 91 HA THR 91 9.782 -7.371 -23.640 729 HB THR 91 HB THR 91 10.283 -8.464 -25.898 730 HG1 THR 91 HG1 THR 91 11.430 -6.824 -26.900 731 HG21 THR 91 HG21 THR 91 7.997 -8.030 -25.135 732 HG22 THR 91 HG22 THR 91 8.089 -6.355 -25.720 733 HG23 THR 91 HG23 THR 91 8.152 -7.706 -26.873 734 H GLU 92 H GLU 92 12.844 -5.823 -24.598 735 HA GLU 92 HA GLU 92 14.263 -8.007 -23.193 736 HB2 GLU 92 HB2 GLU 92 13.847 -8.808 -25.552 737 HB3 GLU 92 HB3 GLU 92 14.825 -7.464 -26.139 738 HG2 GLU 92 HG2 GLU 92 16.792 -8.357 -24.948 739 HG3 GLU 92 HG3 GLU 92 15.804 -9.620 -24.217 740 H GLU 93 H GLU 93 14.667 -4.962 -25.057 741 HA GLU 93 HA GLU 93 17.498 -4.842 -24.521 742 HB2 GLU 93 HB2 GLU 93 17.469 -2.760 -25.749 743 HB3 GLU 93 HB3 GLU 93 16.678 -4.057 -26.618 744 HG2 GLU 93 HG2 GLU 93 15.118 -1.945 -25.072 745 HG3 GLU 93 HG3 GLU 93 15.638 -1.727 -26.730 746 H GLU 94 H GLU 94 14.768 -3.177 -22.990 747 HA GLU 94 HA GLU 94 16.634 -1.953 -20.997 748 HB2 GLU 94 HB2 GLU 94 14.467 -0.538 -22.602 749 HB3 GLU 94 HB3 GLU 94 15.257 0.146 -21.178 750 HG2 GLU 94 HG2 GLU 94 17.469 -0.071 -22.310 751 HG3 GLU 94 HG3 GLU 94 16.649 -0.611 -23.770 752 H LEU 95 H LEU 95 14.531 -4.215 -21.041 753 HA LEU 95 HA LEU 95 12.240 -3.659 -19.610 754 HB2 LEU 95 HB2 LEU 95 13.090 -5.808 -20.699 755 HB3 LEU 95 HB3 LEU 95 13.967 -6.155 -19.228 756 HG LEU 95 HG LEU 95 10.936 -5.771 -19.393 757 HD11 LEU 95 HD11 LEU 95 12.589 -8.338 -19.339 758 HD12 LEU 95 HD12 LEU 95 10.814 -8.231 -19.276 759 HD13 LEU 95 HD13 LEU 95 11.675 -7.707 -20.727 760 HD21 LEU 95 HD21 LEU 95 11.687 -5.464 -17.094 761 HD22 LEU 95 HD22 LEU 95 10.939 -7.049 -17.236 762 HD23 LEU 95 HD23 LEU 95 12.712 -6.920 -17.193 763 H ARG 96 H ARG 96 15.301 -4.757 -18.032 764 HA ARG 96 HA ARG 96 14.275 -4.239 -15.380 765 HB2 ARG 96 HB2 ARG 96 17.128 -4.759 -16.303 766 HB3 ARG 96 HB3 ARG 96 16.575 -4.720 -14.625 767 HG2 ARG 96 HG2 ARG 96 14.925 -6.565 -15.186 768 HG3 ARG 96 HG3 ARG 96 15.651 -6.675 -16.786 769 HD2 ARG 96 HD2 ARG 96 16.661 -8.394 -15.468 770 HD3 ARG 96 HD3 ARG 96 17.874 -7.145 -15.701 771 HE ARG 96 HE ARG 96 17.872 -6.695 -13.415 772 HH11 ARG 96 HH11 ARG 96 15.128 -8.797 -14.056 773 HH12 ARG 96 HH12 ARG 96 14.796 -9.024 -12.353 774 HH21 ARG 96 HH21 ARG 96 17.369 -7.007 -11.277 775 HH22 ARG 96 HH22 ARG 96 16.021 -8.022 -10.832 776 H LYS 97 H LYS 97 16.014 -2.181 -17.623 777 HA LYS 97 HA LYS 97 16.735 -0.131 -15.675 778 HB2 LYS 97 HB2 LYS 97 16.432 0.007 -18.709 779 HB3 LYS 97 HB3 LYS 97 17.030 1.313 -17.679 780 HG2 LYS 97 HG2 LYS 97 18.849 -0.209 -16.857 781 HG3 LYS 97 HG3 LYS 97 18.318 -1.429 -18.027 782 HD2 LYS 97 HD2 LYS 97 18.764 0.126 -19.889 783 HD3 LYS 97 HD3 LYS 97 19.235 1.390 -18.734 784 HE2 LYS 97 HE2 LYS 97 21.042 -0.108 -17.883 785 HE3 LYS 97 HE3 LYS 97 20.610 -1.310 -19.095 786 HZ1 LYS 97 HZ1 LYS 97 21.535 1.451 -19.694 787 HZ2 LYS 97 HZ2 LYS 97 22.452 0.113 -19.827 788 HZ3 LYS 97 HZ3 LYS 97 21.177 0.318 -20.818 789 H ALA 98 H ALA 98 13.915 -0.545 -17.860 790 HA ALA 98 HA ALA 98 12.461 1.746 -16.892 791 HB1 ALA 98 HB1 ALA 98 11.647 -0.882 -18.134 792 HB2 ALA 98 HB2 ALA 98 10.488 0.385 -17.716 793 HB3 ALA 98 HB3 ALA 98 11.762 0.710 -18.937 794 H VAL 99 H VAL 99 12.442 -1.725 -15.774 795 HA VAL 99 HA VAL 99 10.545 -1.309 -13.744 796 HB VAL 99 HB VAL 99 12.982 -3.162 -13.738 797 HG11 VAL 99 HG11 VAL 99 10.591 -3.235 -11.870 798 HG12 VAL 99 HG12 VAL 99 11.846 -4.488 -12.002 799 HG13 VAL 99 HG13 VAL 99 12.289 -2.884 -11.414 800 HG21 VAL 99 HG21 VAL 99 11.252 -3.693 -15.478 801 HG22 VAL 99 HG22 VAL 99 11.445 -4.965 -14.275 802 HG23 VAL 99 HG23 VAL 99 10.052 -3.862 -14.173 803 H ALA 100 H ALA 100 14.080 -0.903 -13.611 804 HA ALA 100 HA ALA 100 14.259 -0.031 -10.925 805 HB1 ALA 100 HB1 ALA 100 16.048 0.703 -13.282 806 HB2 ALA 100 HB2 ALA 100 16.468 0.855 -11.564 807 HB3 ALA 100 HB3 ALA 100 16.196 -0.745 -12.270 808 H LYS 101 H LYS 101 13.667 1.887 -13.876 809 HA LYS 101 HA LYS 101 13.759 4.465 -12.881 810 HB2 LYS 101 HB2 LYS 101 13.473 3.576 -15.291 811 HB3 LYS 101 HB3 LYS 101 11.746 3.503 -14.951 812 HG2 LYS 101 HG2 LYS 101 12.251 5.506 -16.164 813 HG3 LYS 101 HG3 LYS 101 11.732 5.961 -14.541 814 HD2 LYS 101 HD2 LYS 101 14.087 6.355 -13.875 815 HD3 LYS 101 HD3 LYS 101 14.649 5.698 -15.407 816 HE2 LYS 101 HE2 LYS 101 14.807 8.071 -15.550 817 HE3 LYS 101 HE3 LYS 101 13.480 7.574 -16.595 818 HZ1 LYS 101 HZ1 LYS 101 12.899 9.513 -15.233 819 HZ2 LYS 101 HZ2 LYS 101 11.940 8.263 -14.822 820 HZ3 LYS 101 HZ3 LYS 101 13.188 8.693 -13.856 821 H ALA 102 H ALA 102 11.143 2.187 -12.321 822 HA ALA 102 HA ALA 102 9.905 4.267 -10.522 823 HB1 ALA 102 HB1 ALA 102 8.470 3.982 -12.383 824 HB2 ALA 102 HB2 ALA 102 8.653 2.195 -12.266 825 HB3 ALA 102 HB3 ALA 102 7.751 3.085 -11.018 826 H ARG 103 H ARG 103 9.938 0.629 -10.934 827 HA ARG 103 HA ARG 103 8.969 0.221 -8.236 828 HB2 ARG 103 HB2 ARG 103 8.683 -1.388 -10.093 829 HB3 ARG 103 HB3 ARG 103 10.411 -1.714 -10.098 830 HG2 ARG 103 HG2 ARG 103 8.829 -2.075 -7.535 831 HG3 ARG 103 HG3 ARG 103 8.668 -3.272 -8.815 832 HD2 ARG 103 HD2 ARG 103 10.976 -3.852 -8.762 833 HD3 ARG 103 HD3 ARG 103 11.404 -2.500 -7.726 834 HE ARG 103 HE ARG 103 10.184 -5.042 -6.919 835 HH11 ARG 103 HH11 ARG 103 10.887 -1.757 -5.798 836 HH12 ARG 103 HH12 ARG 103 10.866 -2.262 -4.131 837 HH21 ARG 103 HH21 ARG 103 10.122 -5.545 -4.777 838 HH22 ARG 103 HH22 ARG 103 10.407 -4.312 -3.570 839 H GLY 104 H GLY 104 12.105 0.748 -9.573 840 HA2 GLY 104 HA2 GLY 104 13.566 0.192 -7.014 841 HA3 GLY 104 HA3 GLY 104 14.272 0.982 -8.436 842 H SER 105 H SER 105 12.739 3.042 -8.999 843 HA SER 105 HA SER 105 13.724 5.054 -7.340 844 HB2 SER 105 HB2 SER 105 12.972 5.368 -9.652 845 HB3 SER 105 HB3 SER 105 11.286 5.161 -9.136 846 HG SER 105 HG SER 105 12.104 7.382 -9.325 847 H TRP 106 H TRP 106 10.410 3.643 -7.243 848 HA TRP 106 HA TRP 106 9.216 5.341 -5.431 849 HB2 TRP 106 HB2 TRP 106 8.243 3.450 -6.775 850 HB3 TRP 106 HB3 TRP 106 8.802 2.323 -5.584 851 HD1 TRP 106 HD1 TRP 106 5.998 4.677 -6.339 852 HE1 TRP 106 HE1 TRP 106 4.307 4.783 -4.507 853 HE3 TRP 106 HE3 TRP 106 8.552 2.042 -2.746 854 HZ2 TRP 106 HZ2 TRP 106 4.177 4.166 -1.658 855 HZ3 TRP 106 HZ3 TRP 106 7.636 1.887 -0.454 856 HH2 TRP 106 HH2 TRP 106 5.478 2.985 0.116 857 H SER 107 H SER 107 11.070 2.388 -4.505 858 HA SER 107 HA SER 107 10.743 2.844 -1.667 859 HB2 SER 107 HB2 SER 107 12.515 1.011 -1.564 860 HB3 SER 107 HB3 SER 107 10.970 0.627 -2.333 861 HG SER 107 HG SER 107 13.360 1.267 -3.725 862 H LEU 108 H LEU 108 12.750 4.196 -4.032 863 HA LEU 108 HA LEU 108 14.807 5.110 -2.159 864 HB2 LEU 108 HB2 LEU 108 14.496 4.702 -5.158 865 HB3 LEU 108 HB3 LEU 108 15.445 6.089 -4.684 866 HG LEU 108 HG LEU 108 15.875 3.155 -3.921 867 HD11 LEU 108 HD11 LEU 108 17.471 5.006 -5.741 868 HD12 LEU 108 HD12 LEU 108 17.833 3.302 -5.376 869 HD13 LEU 108 HD13 LEU 108 16.371 3.719 -6.281 870 HD21 LEU 108 HD21 LEU 108 17.528 5.605 -3.206 871 HD22 LEU 108 HD22 LEU 108 16.745 4.436 -2.097 872 HD23 LEU 108 HD23 LEU 108 18.110 3.927 -3.081 873 H GLU 109 H GLU 109 11.887 6.253 -3.633 874 HA GLU 109 HA GLU 109 12.494 9.107 -3.129 875 HB2 GLU 109 HB2 GLU 109 9.897 7.822 -4.051 876 HB3 GLU 109 HB3 GLU 109 10.287 9.529 -4.050 877 HG2 GLU 109 HG2 GLU 109 12.325 8.446 -5.622 878 HG3 GLU 109 HG3 GLU 109 10.954 7.417 -5.987 879 H HIS 110 H HIS 110 10.107 6.670 -1.962 880 HA HIS 110 HA HIS 110 8.916 8.500 -0.029 881 HB2 HIS 110 HB2 HIS 110 8.573 5.544 -0.640 882 HB3 HIS 110 HB3 HIS 110 7.722 6.357 0.673 883 HD2 HIS 110 HD2 HIS 110 7.821 6.214 -3.173 884 HE1 HIS 110 HE1 HIS 110 4.438 8.571 -2.125 885 HE2 HIS 110 HE2 HIS 110 5.652 7.429 -4.034 886 H HIS 111 H HIS 111 11.688 6.544 0.097 887 HA HIS 111 HA HIS 111 11.796 6.698 3.099 888 HB2 HIS 111 HB2 HIS 111 12.539 4.363 1.302 889 HB3 HIS 111 HB3 HIS 111 12.769 4.411 3.049 890 HD2 HIS 111 HD2 HIS 111 10.466 4.533 4.592 891 HE1 HIS 111 HE1 HIS 111 7.858 3.044 1.573 892 HE2 HIS 111 HE2 HIS 111 8.084 3.550 4.049 893 H HIS 112 H HIS 112 13.535 7.436 0.222 894 HA HIS 112 HA HIS 112 15.753 7.637 -0.321 895 HB2 HIS 112 HB2 HIS 112 15.895 8.895 2.440 896 HB3 HIS 112 HB3 HIS 112 16.969 9.204 1.075 897 HD2 HIS 112 HD2 HIS 112 15.263 9.953 -1.289 898 HE1 HIS 112 HE1 HIS 112 12.896 12.459 1.215 899 HE2 HIS 112 HE2 HIS 112 13.528 11.932 -1.189 900 H HIS 113 H HIS 113 15.257 5.080 0.456 901 HA HIS 113 HA HIS 113 16.733 4.050 2.600 902 HB2 HIS 113 HB2 HIS 113 14.764 3.066 1.299 903 HB3 HIS 113 HB3 HIS 113 15.937 2.516 0.104 904 HD2 HIS 113 HD2 HIS 113 15.164 2.138 3.912 905 HE1 HIS 113 HE1 HIS 113 17.151 -1.420 2.681 906 HE2 HIS 113 HE2 HIS 113 15.990 -0.256 4.618 907 H HIS 114 H HIS 114 18.393 2.358 2.535 908 HA HIS 114 HA HIS 114 20.570 2.706 0.547 909 HB2 HIS 114 HB2 HIS 114 21.026 4.373 2.272 910 HB3 HIS 114 HB3 HIS 114 20.840 3.164 3.540 911 HD2 HIS 114 HD2 HIS 114 23.134 3.709 0.409 912 HE1 HIS 114 HE1 HIS 114 25.501 1.890 3.451 913 HE2 HIS 114 HE2 HIS 114 25.522 2.840 1.092 914 H HIS 115 H HIS 115 21.074 0.765 -0.124 915 HA HIS 115 HA HIS 115 21.432 -1.568 1.647 916 HB2 HIS 115 HB2 HIS 115 19.000 -1.533 1.133 917 HB3 HIS 115 HB3 HIS 115 19.366 -1.534 -0.591 918 HD2 HIS 115 HD2 HIS 115 19.804 -3.865 -1.719 919 HE1 HIS 115 HE1 HIS 115 19.805 -6.301 1.777 920 HE2 HIS 115 HE2 HIS 115 19.845 -6.327 -0.763 Start of MODEL 10 1 H1 MET 1 H1 MET 1 1.173 0.649 0.540 2 H2 MET 1 H2 MET 1 0.673 1.871 -0.431 3 H3 MET 1 H3 MET 1 2.156 1.926 0.257 4 HA MET 1 HA MET 1 2.334 1.374 -2.069 5 HB2 MET 1 HB2 MET 1 3.935 0.396 -0.332 6 HB3 MET 1 HB3 MET 1 2.997 -1.089 -0.426 7 HG2 MET 1 HG2 MET 1 3.483 -1.108 -2.936 8 HG3 MET 1 HG3 MET 1 4.554 0.261 -2.678 9 HE1 MET 1 HE1 MET 1 5.600 -2.178 -4.170 10 HE2 MET 1 HE2 MET 1 6.704 -0.879 -3.653 11 HE3 MET 1 HE3 MET 1 7.129 -2.578 -3.351 12 H ARG 2 H ARG 2 1.496 0.391 -3.819 13 HA ARG 2 HA ARG 2 0.122 -2.174 -3.732 14 HB2 ARG 2 HB2 ARG 2 -1.725 -0.406 -3.398 15 HB3 ARG 2 HB3 ARG 2 -1.309 0.199 -4.991 16 HG2 ARG 2 HG2 ARG 2 -1.806 -1.999 -6.010 17 HG3 ARG 2 HG3 ARG 2 -2.047 -2.718 -4.413 18 HD2 ARG 2 HD2 ARG 2 -3.731 -0.540 -5.694 19 HD3 ARG 2 HD3 ARG 2 -4.145 -2.253 -5.658 20 HE ARG 2 HE ARG 2 -4.534 -0.324 -3.573 21 HH11 ARG 2 HH11 ARG 2 -4.074 -3.787 -4.014 22 HH12 ARG 2 HH12 ARG 2 -4.849 -4.166 -2.499 23 HH21 ARG 2 HH21 ARG 2 -5.407 -0.877 -1.624 24 HH22 ARG 2 HH22 ARG 2 -5.576 -2.560 -1.179 25 H VAL 3 H VAL 3 0.319 -3.253 -5.646 26 HA VAL 3 HA VAL 3 1.935 -1.909 -7.770 27 HB VAL 3 HB VAL 3 2.221 -4.676 -6.533 28 HG11 VAL 3 HG11 VAL 3 4.050 -5.121 -8.145 29 HG12 VAL 3 HG12 VAL 3 2.508 -4.989 -8.982 30 HG13 VAL 3 HG13 VAL 3 3.650 -3.635 -9.027 31 HG21 VAL 3 HG21 VAL 3 3.405 -2.814 -5.396 32 HG22 VAL 3 HG22 VAL 3 4.542 -3.942 -6.144 33 HG23 VAL 3 HG23 VAL 3 4.189 -2.384 -6.930 34 H ILE 4 H ILE 4 1.472 -2.284 -9.832 35 HA ILE 4 HA ILE 4 -0.520 -4.343 -10.605 36 HB ILE 4 HB ILE 4 -0.672 -1.380 -11.118 37 HG12 ILE 4 HG12 ILE 4 -2.381 -3.611 -9.932 38 HG13 ILE 4 HG13 ILE 4 -1.948 -2.068 -9.210 39 HG21 ILE 4 HG21 ILE 4 -2.102 -3.511 -12.723 40 HG22 ILE 4 HG22 ILE 4 -2.371 -1.748 -12.814 41 HG23 ILE 4 HG23 ILE 4 -0.819 -2.396 -13.316 42 HD11 ILE 4 HD11 ILE 4 -4.068 -2.619 -11.323 43 HD12 ILE 4 HD12 ILE 4 -4.284 -2.009 -9.671 44 HD13 ILE 4 HD13 ILE 4 -3.483 -0.995 -10.903 45 H VAL 5 H VAL 5 -0.219 -5.185 -12.524 46 HA VAL 5 HA VAL 5 2.030 -4.187 -14.195 47 HB VAL 5 HB VAL 5 1.565 -7.138 -13.749 48 HG11 VAL 5 HG11 VAL 5 3.756 -5.649 -15.256 49 HG12 VAL 5 HG12 VAL 5 3.638 -7.408 -15.040 50 HG13 VAL 5 HG13 VAL 5 2.431 -6.554 -16.021 51 HG21 VAL 5 HG21 VAL 5 2.628 -6.184 -11.752 52 HG22 VAL 5 HG22 VAL 5 3.811 -7.114 -12.674 53 HG23 VAL 5 HG23 VAL 5 3.825 -5.344 -12.755 54 H VAL 6 H VAL 6 1.139 -3.447 -15.990 55 HA VAL 6 HA VAL 6 -1.287 -4.855 -17.091 56 HB VAL 6 HB VAL 6 -0.324 -2.091 -17.829 57 HG11 VAL 6 HG11 VAL 6 -2.662 -1.926 -18.719 58 HG12 VAL 6 HG12 VAL 6 -1.677 -3.125 -19.553 59 HG13 VAL 6 HG13 VAL 6 -2.890 -3.648 -18.356 60 HG21 VAL 6 HG21 VAL 6 -2.377 -1.336 -16.497 61 HG22 VAL 6 HG22 VAL 6 -2.460 -2.975 -15.822 62 HG23 VAL 6 HG23 VAL 6 -1.046 -1.934 -15.511 63 H ILE 7 H ILE 7 -1.174 -5.716 -19.150 64 HA ILE 7 HA ILE 7 1.443 -5.486 -20.600 65 HB ILE 7 HB ILE 7 -0.180 -8.030 -20.262 66 HG12 ILE 7 HG12 ILE 7 2.114 -8.756 -19.128 67 HG13 ILE 7 HG13 ILE 7 2.256 -7.033 -18.771 68 HG21 ILE 7 HG21 ILE 7 1.856 -9.084 -21.301 69 HG22 ILE 7 HG22 ILE 7 0.930 -8.068 -22.378 70 HG23 ILE 7 HG23 ILE 7 2.446 -7.449 -21.682 71 HD11 ILE 7 HD11 ILE 7 0.248 -7.102 -17.424 72 HD12 ILE 7 HD12 ILE 7 -0.167 -8.733 -17.999 73 HD13 ILE 7 HD13 ILE 7 1.246 -8.479 -16.952 74 H VAL 8 H VAL 8 1.365 -5.164 -22.785 75 HA VAL 8 HA VAL 8 -1.205 -4.839 -24.113 76 HB VAL 8 HB VAL 8 1.593 -4.942 -25.309 77 HG11 VAL 8 HG11 VAL 8 0.537 -3.764 -27.238 78 HG12 VAL 8 HG12 VAL 8 -0.122 -5.391 -27.033 79 HG13 VAL 8 HG13 VAL 8 -1.062 -3.990 -26.493 80 HG21 VAL 8 HG21 VAL 8 -0.168 -2.575 -24.526 81 HG22 VAL 8 HG22 VAL 8 1.360 -3.050 -23.757 82 HG23 VAL 8 HG23 VAL 8 1.369 -2.467 -25.421 83 H GLY 9 H GLY 9 -2.426 -6.600 -24.371 84 HA2 GLY 9 HA2 GLY 9 -1.931 -8.612 -26.226 85 HA3 GLY 9 HA3 GLY 9 -1.554 -9.321 -24.652 86 HA PRO 10 HA PRO 10 -2.626 -11.327 -25.734 87 HB2 PRO 10 HB2 PRO 10 -4.473 -12.825 -27.052 88 HB3 PRO 10 HB3 PRO 10 -4.361 -12.777 -25.272 89 HG2 PRO 10 HG2 PRO 10 -6.225 -11.165 -27.055 90 HG3 PRO 10 HG3 PRO 10 -6.658 -12.145 -25.617 91 HD2 PRO 10 HD2 PRO 10 -6.244 -9.458 -25.463 92 HD3 PRO 10 HD3 PRO 10 -5.754 -10.554 -24.144 93 H SER 11 H SER 11 -2.378 -12.308 -28.079 94 HA SER 11 HA SER 11 -1.769 -12.058 -30.239 95 HB2 SER 11 HB2 SER 11 -4.305 -11.382 -30.268 96 HB3 SER 11 HB3 SER 11 -3.655 -9.782 -30.661 97 HG SER 11 HG SER 11 -4.070 -11.061 -32.542 98 H GLY 12 H GLY 12 -0.823 -10.071 -28.070 99 HA2 GLY 12 HA2 GLY 12 1.112 -8.617 -29.805 100 HA3 GLY 12 HA3 GLY 12 0.234 -7.701 -28.574 101 H ALA 13 H ALA 13 2.952 -7.849 -28.620 102 HA ALA 13 HA ALA 13 4.879 -8.244 -27.636 103 HB1 ALA 13 HB1 ALA 13 3.742 -7.086 -25.843 104 HB2 ALA 13 HB2 ALA 13 3.196 -8.631 -25.152 105 HB3 ALA 13 HB3 ALA 13 4.928 -8.235 -25.201 106 H GLY 14 H GLY 14 2.782 -11.049 -27.170 107 HA2 GLY 14 HA2 GLY 14 4.229 -12.881 -28.429 108 HA3 GLY 14 HA3 GLY 14 5.070 -12.917 -26.881 109 H LYS 15 H LYS 15 3.484 -14.975 -28.264 110 HA LYS 15 HA LYS 15 0.846 -15.245 -27.282 111 HB2 LYS 15 HB2 LYS 15 2.774 -17.400 -28.247 112 HB3 LYS 15 HB3 LYS 15 1.021 -17.570 -28.115 113 HG2 LYS 15 HG2 LYS 15 0.681 -15.772 -29.774 114 HG3 LYS 15 HG3 LYS 15 2.431 -15.535 -29.902 115 HD2 LYS 15 HD2 LYS 15 2.654 -17.917 -30.670 116 HD3 LYS 15 HD3 LYS 15 0.877 -18.015 -30.724 117 HE2 LYS 15 HE2 LYS 15 0.845 -16.069 -32.280 118 HE3 LYS 15 HE3 LYS 15 2.599 -15.973 -32.198 119 HZ1 LYS 15 HZ1 LYS 15 1.067 -18.276 -33.282 120 HZ2 LYS 15 HZ2 LYS 15 1.883 -17.188 -34.177 121 HZ3 LYS 15 HZ3 LYS 15 2.698 -18.202 -33.199 122 H THR 16 H THR 16 3.834 -16.263 -25.798 123 HA THR 16 HA THR 16 2.337 -17.276 -23.398 124 HB THR 16 HB THR 16 5.184 -17.922 -24.237 125 HG1 THR 16 HG1 THR 16 4.314 -19.888 -24.862 126 HG21 THR 16 HG21 THR 16 3.351 -19.055 -22.077 127 HG22 THR 16 HG22 THR 16 4.805 -19.901 -22.666 128 HG23 THR 16 HG23 THR 16 4.963 -18.335 -21.879 129 H THR 17 H THR 17 4.091 -14.584 -24.493 130 HA THR 17 HA THR 17 5.707 -13.951 -22.249 131 HB THR 17 HB THR 17 4.289 -12.202 -24.292 132 HG1 THR 17 HG1 THR 17 6.412 -11.997 -25.016 133 HG21 THR 17 HG21 THR 17 6.063 -11.447 -21.961 134 HG22 THR 17 HG22 THR 17 5.789 -10.376 -23.385 135 HG23 THR 17 HG23 THR 17 4.439 -10.864 -22.335 136 H LEU 18 H LEU 18 2.401 -12.706 -22.934 137 HA LEU 18 HA LEU 18 2.141 -11.279 -20.484 138 HB2 LEU 18 HB2 LEU 18 -0.237 -11.118 -21.108 139 HB3 LEU 18 HB3 LEU 18 0.817 -10.850 -22.479 140 HG LEU 18 HG LEU 18 0.368 -13.459 -22.962 141 HD11 LEU 18 HD11 LEU 18 -2.181 -12.602 -21.524 142 HD12 LEU 18 HD12 LEU 18 -1.962 -14.062 -22.496 143 HD13 LEU 18 HD13 LEU 18 -1.079 -13.884 -20.971 144 HD21 LEU 18 HD21 LEU 18 -1.694 -11.301 -23.535 145 HD22 LEU 18 HD22 LEU 18 -0.194 -11.570 -24.460 146 HD23 LEU 18 HD23 LEU 18 -1.444 -12.814 -24.440 147 H ASP 19 H ASP 19 2.100 -14.487 -21.045 148 HA ASP 19 HA ASP 19 0.211 -15.462 -19.007 149 HB2 ASP 19 HB2 ASP 19 0.993 -16.353 -21.415 150 HB3 ASP 19 HB3 ASP 19 2.243 -17.130 -20.498 151 H GLU 20 H GLU 20 3.677 -16.067 -19.747 152 HA GLU 20 HA GLU 20 4.323 -16.958 -17.171 153 HB2 GLU 20 HB2 GLU 20 6.610 -16.874 -17.806 154 HB3 GLU 20 HB3 GLU 20 5.663 -17.372 -19.209 155 HG2 GLU 20 HG2 GLU 20 5.898 -15.170 -20.221 156 HG3 GLU 20 HG3 GLU 20 6.681 -14.536 -18.775 157 H LEU 21 H LEU 21 4.068 -13.730 -18.501 158 HA LEU 21 HA LEU 21 5.313 -12.268 -16.331 159 HB2 LEU 21 HB2 LEU 21 3.496 -11.663 -18.645 160 HB3 LEU 21 HB3 LEU 21 3.515 -10.510 -17.342 161 HG LEU 21 HG LEU 21 5.049 -10.132 -19.342 162 HD11 LEU 21 HD11 LEU 21 5.111 -8.874 -17.162 163 HD12 LEU 21 HD12 LEU 21 6.290 -10.038 -16.545 164 HD13 LEU 21 HD13 LEU 21 6.707 -8.991 -17.916 165 HD21 LEU 21 HD21 LEU 21 7.352 -10.942 -19.196 166 HD22 LEU 21 HD22 LEU 21 6.933 -12.023 -17.859 167 HD23 LEU 21 HD23 LEU 21 6.253 -12.296 -19.475 168 H ALA 22 H ALA 22 1.763 -12.796 -17.034 169 HA ALA 22 HA ALA 22 0.935 -11.802 -14.544 170 HB1 ALA 22 HB1 ALA 22 -0.563 -12.122 -16.465 171 HB2 ALA 22 HB2 ALA 22 -0.407 -13.889 -16.315 172 HB3 ALA 22 HB3 ALA 22 -1.196 -12.942 -15.035 173 H ARG 23 H ARG 23 1.827 -15.135 -15.375 174 HA ARG 23 HA ARG 23 1.229 -16.396 -12.886 175 HB2 ARG 23 HB2 ARG 23 3.231 -16.991 -15.099 176 HB3 ARG 23 HB3 ARG 23 3.013 -18.059 -13.715 177 HG2 ARG 23 HG2 ARG 23 0.826 -18.678 -14.326 178 HG3 ARG 23 HG3 ARG 23 0.573 -17.252 -15.311 179 HD2 ARG 23 HD2 ARG 23 0.743 -19.179 -16.729 180 HD3 ARG 23 HD3 ARG 23 2.087 -18.085 -17.044 181 HE ARG 23 HE ARG 23 2.933 -20.045 -15.152 182 HH11 ARG 23 HH11 ARG 23 2.051 -19.892 -18.561 183 HH12 ARG 23 HH12 ARG 23 3.151 -21.177 -18.990 184 HH21 ARG 23 HH21 ARG 23 4.324 -21.649 -15.776 185 HH22 ARG 23 HH22 ARG 23 4.410 -22.141 -17.446 186 H LYS 24 H LYS 24 4.500 -15.311 -13.995 187 HA LYS 24 HA LYS 24 5.718 -15.789 -11.448 188 HB2 LYS 24 HB2 LYS 24 6.595 -14.113 -13.830 189 HB3 LYS 24 HB3 LYS 24 7.564 -14.290 -12.366 190 HG2 LYS 24 HG2 LYS 24 7.581 -16.737 -12.592 191 HG3 LYS 24 HG3 LYS 24 6.620 -16.646 -14.066 192 HD2 LYS 24 HD2 LYS 24 9.355 -15.321 -13.754 193 HD3 LYS 24 HD3 LYS 24 9.121 -16.968 -14.358 194 HE2 LYS 24 HE2 LYS 24 7.646 -16.101 -16.157 195 HE3 LYS 24 HE3 LYS 24 7.952 -14.451 -15.631 196 HZ1 LYS 24 HZ1 LYS 24 9.394 -15.292 -17.493 197 HZ2 LYS 24 HZ2 LYS 24 10.255 -14.698 -16.229 198 HZ3 LYS 24 HZ3 LYS 24 10.104 -16.312 -16.468 199 H ALA 25 H ALA 25 4.460 -12.721 -12.824 200 HA ALA 25 HA ALA 25 5.070 -11.064 -10.568 201 HB1 ALA 25 HB1 ALA 25 2.744 -10.827 -12.518 202 HB2 ALA 25 HB2 ALA 25 3.418 -9.559 -11.462 203 HB3 ALA 25 HB3 ALA 25 4.384 -10.209 -12.797 204 H LYS 26 H LYS 26 1.715 -12.569 -11.205 205 HA LYS 26 HA LYS 26 0.950 -11.801 -8.626 206 HB2 LYS 26 HB2 LYS 26 -0.526 -12.585 -10.593 207 HB3 LYS 26 HB3 LYS 26 -0.190 -14.232 -10.040 208 HG2 LYS 26 HG2 LYS 26 -2.173 -13.781 -8.916 209 HG3 LYS 26 HG3 LYS 26 -0.997 -13.292 -7.696 210 HD2 LYS 26 HD2 LYS 26 -1.291 -10.896 -8.920 211 HD3 LYS 26 HD3 LYS 26 -2.861 -11.629 -9.353 212 HE2 LYS 26 HE2 LYS 26 -2.675 -12.356 -6.735 213 HE3 LYS 26 HE3 LYS 26 -1.657 -10.910 -6.714 214 HZ1 LYS 26 HZ1 LYS 26 -3.522 -9.643 -7.508 215 HZ2 LYS 26 HZ2 LYS 26 -4.487 -10.962 -7.644 216 HZ3 LYS 26 HZ3 LYS 26 -3.982 -10.446 -6.171 217 H GLU 27 H GLU 27 2.741 -14.789 -9.490 218 HA GLU 27 HA GLU 27 2.509 -15.984 -6.876 219 HB2 GLU 27 HB2 GLU 27 4.501 -16.246 -9.141 220 HB3 GLU 27 HB3 GLU 27 4.843 -16.942 -7.562 221 HG2 GLU 27 HG2 GLU 27 2.586 -18.102 -7.652 222 HG3 GLU 27 HG3 GLU 27 2.427 -17.567 -9.316 223 H GLU 28 H GLU 28 5.038 -13.739 -8.110 224 HA GLU 28 HA GLU 28 6.277 -13.623 -5.454 225 HB2 GLU 28 HB2 GLU 28 8.008 -12.398 -6.404 226 HB3 GLU 28 HB3 GLU 28 7.565 -13.621 -7.598 227 HG2 GLU 28 HG2 GLU 28 6.146 -11.738 -8.695 228 HG3 GLU 28 HG3 GLU 28 7.032 -10.642 -7.649 229 H VAL 29 H VAL 29 3.889 -11.771 -7.058 230 HA VAL 29 HA VAL 29 3.605 -9.924 -4.768 231 HB VAL 29 HB VAL 29 3.047 -8.057 -6.165 232 HG11 VAL 29 HG11 VAL 29 5.814 -9.033 -6.906 233 HG12 VAL 29 HG12 VAL 29 5.265 -7.357 -6.767 234 HG13 VAL 29 HG13 VAL 29 5.396 -8.377 -5.309 235 HG21 VAL 29 HG21 VAL 29 2.586 -9.414 -8.331 236 HG22 VAL 29 HG22 VAL 29 3.478 -7.881 -8.503 237 HG23 VAL 29 HG23 VAL 29 4.333 -9.441 -8.541 238 HA PRO 30 HA PRO 30 -0.316 -12.211 -5.636 239 HB2 PRO 30 HB2 PRO 30 -0.752 -12.940 -3.017 240 HB3 PRO 30 HB3 PRO 30 0.240 -13.895 -4.169 241 HG2 PRO 30 HG2 PRO 30 1.156 -11.884 -2.080 242 HG3 PRO 30 HG3 PRO 30 1.815 -13.521 -2.405 243 HD2 PRO 30 HD2 PRO 30 2.966 -11.270 -3.429 244 HD3 PRO 30 HD3 PRO 30 2.891 -12.781 -4.387 245 H ASP 31 H ASP 31 0.670 -9.472 -3.959 246 HA ASP 31 HA ASP 31 -1.981 -8.543 -2.994 247 HB2 ASP 31 HB2 ASP 31 0.301 -8.165 -1.878 248 HB3 ASP 31 HB3 ASP 31 0.685 -7.091 -3.202 249 H ALA 32 H ALA 32 0.069 -8.331 -5.775 250 HA ALA 32 HA ALA 32 -0.815 -5.758 -6.750 251 HB1 ALA 32 HB1 ALA 32 0.751 -8.000 -8.105 252 HB2 ALA 32 HB2 ALA 32 0.674 -6.321 -8.655 253 HB3 ALA 32 HB3 ALA 32 1.463 -6.711 -7.105 254 H GLU 33 H GLU 33 -1.622 -5.474 -9.053 255 HA GLU 33 HA GLU 33 -3.577 -7.641 -9.779 256 HB2 GLU 33 HB2 GLU 33 -4.010 -4.866 -10.791 257 HB3 GLU 33 HB3 GLU 33 -5.158 -6.147 -10.496 258 HG2 GLU 33 HG2 GLU 33 -3.764 -4.560 -8.296 259 HG3 GLU 33 HG3 GLU 33 -5.279 -4.099 -9.042 260 H ILE 34 H ILE 34 -2.821 -8.802 -11.411 261 HA ILE 34 HA ILE 34 -1.334 -7.431 -13.549 262 HB ILE 34 HB ILE 34 -1.544 -10.413 -13.297 263 HG12 ILE 34 HG12 ILE 34 -1.028 -9.889 -11.030 264 HG13 ILE 34 HG13 ILE 34 0.342 -10.571 -11.826 265 HG21 ILE 34 HG21 ILE 34 0.144 -8.405 -14.695 266 HG22 ILE 34 HG22 ILE 34 1.014 -9.789 -14.024 267 HG23 ILE 34 HG23 ILE 34 -0.348 -10.016 -15.160 268 HD11 ILE 34 HD11 ILE 34 0.044 -7.576 -11.260 269 HD12 ILE 34 HD12 ILE 34 0.924 -8.765 -10.276 270 HD13 ILE 34 HD13 ILE 34 1.466 -8.400 -11.936 271 H ARG 35 H ARG 35 -2.255 -7.019 -15.423 272 HA ARG 35 HA ARG 35 -4.319 -8.816 -16.552 273 HB2 ARG 35 HB2 ARG 35 -5.929 -6.986 -17.018 274 HB3 ARG 35 HB3 ARG 35 -5.817 -7.359 -15.325 275 HG2 ARG 35 HG2 ARG 35 -4.272 -5.043 -16.546 276 HG3 ARG 35 HG3 ARG 35 -5.933 -4.962 -15.953 277 HD2 ARG 35 HD2 ARG 35 -4.783 -6.161 -13.807 278 HD3 ARG 35 HD3 ARG 35 -3.408 -5.306 -14.398 279 HE ARG 35 HE ARG 35 -4.790 -3.174 -14.188 280 HH11 ARG 35 HH11 ARG 35 -6.412 -6.005 -12.776 281 HH12 ARG 35 HH12 ARG 35 -7.554 -4.925 -11.982 282 HH21 ARG 35 HH21 ARG 35 -6.372 -2.031 -13.096 283 HH22 ARG 35 HH22 ARG 35 -7.432 -2.957 -12.039 284 H THR 36 H THR 36 -5.094 -8.085 -18.752 285 HA THR 36 HA THR 36 -2.890 -6.729 -20.224 286 HB THR 36 HB THR 36 -3.031 -8.213 -22.034 287 HG1 THR 36 HG1 THR 36 -5.022 -8.775 -22.416 288 HG21 THR 36 HG21 THR 36 -3.396 -10.145 -19.724 289 HG22 THR 36 HG22 THR 36 -2.483 -10.358 -21.224 290 HG23 THR 36 HG23 THR 36 -1.890 -9.230 -19.993 291 H VAL 37 H VAL 37 -3.396 -5.798 -22.273 292 HA VAL 37 HA VAL 37 -6.194 -4.991 -22.818 293 HB VAL 37 HB VAL 37 -6.014 -2.905 -22.315 294 HG11 VAL 37 HG11 VAL 37 -4.353 -1.895 -21.011 295 HG12 VAL 37 HG12 VAL 37 -4.740 -3.522 -20.395 296 HG13 VAL 37 HG13 VAL 37 -3.214 -3.242 -21.302 297 HG21 VAL 37 HG21 VAL 37 -3.434 -2.762 -23.896 298 HG22 VAL 37 HG22 VAL 37 -5.099 -2.248 -24.362 299 HG23 VAL 37 HG23 VAL 37 -4.179 -1.390 -23.113 300 H THR 38 H THR 38 -6.643 -4.577 -24.832 301 HA THR 38 HA THR 38 -4.489 -5.021 -26.909 302 HB THR 38 HB THR 38 -5.668 -7.071 -26.552 303 HG1 THR 38 HG1 THR 38 -6.115 -7.476 -28.661 304 HG21 THR 38 HG21 THR 38 -8.178 -5.540 -27.321 305 HG22 THR 38 HG22 THR 38 -8.051 -7.318 -27.279 306 HG23 THR 38 HG23 THR 38 -7.837 -6.392 -25.798 307 H THR 39 H THR 39 -7.153 -3.102 -25.966 308 HA THR 39 HA THR 39 -6.768 -1.295 -28.299 309 HB THR 39 HB THR 39 -9.292 -0.993 -28.354 310 HG1 THR 39 HG1 THR 39 -9.270 -3.350 -26.818 311 HG21 THR 39 HG21 THR 39 -8.176 -2.314 -30.123 312 HG22 THR 39 HG22 THR 39 -8.428 -3.793 -29.163 313 HG23 THR 39 HG23 THR 39 -9.828 -2.866 -29.752 314 H LYS 40 H LYS 40 -8.021 0.739 -28.010 315 HA LYS 40 HA LYS 40 -7.095 2.159 -25.813 316 HB2 LYS 40 HB2 LYS 40 -8.344 3.976 -26.613 317 HB3 LYS 40 HB3 LYS 40 -7.934 3.051 -28.037 318 HG2 LYS 40 HG2 LYS 40 -10.640 3.167 -26.644 319 HG3 LYS 40 HG3 LYS 40 -10.173 4.004 -28.115 320 HD2 LYS 40 HD2 LYS 40 -9.996 1.852 -29.314 321 HD3 LYS 40 HD3 LYS 40 -10.477 0.980 -27.841 322 HE2 LYS 40 HE2 LYS 40 -12.582 2.419 -27.801 323 HE3 LYS 40 HE3 LYS 40 -12.132 3.001 -29.398 324 HZ1 LYS 40 HZ1 LYS 40 -12.185 0.597 -30.123 325 HZ2 LYS 40 HZ2 LYS 40 -12.815 0.201 -28.666 326 HZ3 LYS 40 HZ3 LYS 40 -13.632 1.174 -29.658 327 H GLU 41 H GLU 41 -10.031 0.318 -26.087 328 HA GLU 41 HA GLU 41 -11.347 1.505 -23.759 329 HB2 GLU 41 HB2 GLU 41 -13.092 -0.225 -24.209 330 HB3 GLU 41 HB3 GLU 41 -12.678 0.773 -25.618 331 HG2 GLU 41 HG2 GLU 41 -11.301 -0.926 -26.531 332 HG3 GLU 41 HG3 GLU 41 -11.580 -2.035 -25.175 333 H ASP 42 H ASP 42 -9.599 -1.532 -24.527 334 HA ASP 42 HA ASP 42 -9.933 -2.657 -21.908 335 HB2 ASP 42 HB2 ASP 42 -7.655 -3.011 -23.905 336 HB3 ASP 42 HB3 ASP 42 -7.945 -3.949 -22.459 337 H ALA 43 H ALA 43 -7.412 -0.575 -23.353 338 HA ALA 43 HA ALA 43 -5.813 -0.309 -20.995 339 HB1 ALA 43 HB1 ALA 43 -5.215 1.963 -22.036 340 HB2 ALA 43 HB2 ALA 43 -4.881 0.508 -22.971 341 HB3 ALA 43 HB3 ALA 43 -6.297 1.519 -23.378 342 H LYS 44 H LYS 44 -8.648 1.541 -22.084 343 HA LYS 44 HA LYS 44 -8.685 3.326 -19.885 344 HB2 LYS 44 HB2 LYS 44 -9.851 3.723 -22.003 345 HB3 LYS 44 HB3 LYS 44 -11.050 2.487 -21.589 346 HG2 LYS 44 HG2 LYS 44 -11.971 3.764 -19.875 347 HG3 LYS 44 HG3 LYS 44 -10.472 4.648 -19.552 348 HD2 LYS 44 HD2 LYS 44 -10.750 5.840 -21.742 349 HD3 LYS 44 HD3 LYS 44 -12.373 5.117 -21.870 350 HE2 LYS 44 HE2 LYS 44 -12.926 6.099 -19.630 351 HE3 LYS 44 HE3 LYS 44 -11.329 6.848 -19.588 352 HZ1 LYS 44 HZ1 LYS 44 -13.008 8.410 -20.381 353 HZ2 LYS 44 HZ2 LYS 44 -11.949 8.124 -21.578 354 HZ3 LYS 44 HZ3 LYS 44 -13.425 7.427 -21.617 355 H ARG 45 H ARG 45 -10.366 0.171 -20.253 356 HA ARG 45 HA ARG 45 -11.711 0.340 -17.728 357 HB2 ARG 45 HB2 ARG 45 -12.582 -1.713 -18.073 358 HB3 ARG 45 HB3 ARG 45 -12.330 -1.092 -19.694 359 HG2 ARG 45 HG2 ARG 45 -10.196 -2.482 -19.774 360 HG3 ARG 45 HG3 ARG 45 -10.730 -3.249 -18.262 361 HD2 ARG 45 HD2 ARG 45 -12.724 -4.113 -19.363 362 HD3 ARG 45 HD3 ARG 45 -12.422 -3.089 -20.778 363 HE ARG 45 HE ARG 45 -11.028 -4.662 -21.657 364 HH11 ARG 45 HH11 ARG 45 -11.278 -5.560 -18.273 365 HH12 ARG 45 HH12 ARG 45 -10.336 -7.013 -18.548 366 HH21 ARG 45 HH21 ARG 45 -9.905 -6.340 -21.907 367 HH22 ARG 45 HH22 ARG 45 -9.525 -7.465 -20.608 368 H VAL 46 H VAL 46 -8.708 -1.445 -18.580 369 HA VAL 46 HA VAL 46 -8.231 -2.350 -15.921 370 HB VAL 46 HB VAL 46 -5.994 -2.792 -16.502 371 HG11 VAL 46 HG11 VAL 46 -6.298 -4.324 -18.369 372 HG12 VAL 46 HG12 VAL 46 -7.772 -4.303 -17.390 373 HG13 VAL 46 HG13 VAL 46 -7.727 -3.437 -18.937 374 HG21 VAL 46 HG21 VAL 46 -6.271 -1.200 -19.030 375 HG22 VAL 46 HG22 VAL 46 -5.236 -0.848 -17.619 376 HG23 VAL 46 HG23 VAL 46 -4.926 -2.282 -18.595 377 H ALA 47 H ALA 47 -7.211 0.691 -17.459 378 HA ALA 47 HA ALA 47 -5.739 1.528 -15.136 379 HB1 ALA 47 HB1 ALA 47 -5.403 2.204 -17.580 380 HB2 ALA 47 HB2 ALA 47 -6.782 3.279 -17.372 381 HB3 ALA 47 HB3 ALA 47 -5.305 3.485 -16.360 382 H GLU 48 H GLU 48 -8.996 2.584 -16.401 383 HA GLU 48 HA GLU 48 -9.575 4.257 -14.200 384 HB2 GLU 48 HB2 GLU 48 -11.770 4.327 -14.911 385 HB3 GLU 48 HB3 GLU 48 -10.856 4.103 -16.407 386 HG2 GLU 48 HG2 GLU 48 -11.317 1.645 -16.250 387 HG3 GLU 48 HG3 GLU 48 -12.274 1.890 -14.837 388 H GLU 49 H GLU 49 -9.417 0.778 -14.369 389 HA GLU 49 HA GLU 49 -10.798 0.356 -11.805 390 HB2 GLU 49 HB2 GLU 49 -10.113 -1.460 -13.783 391 HB3 GLU 49 HB3 GLU 49 -8.732 -1.591 -12.764 392 HG2 GLU 49 HG2 GLU 49 -10.430 -1.804 -10.767 393 HG3 GLU 49 HG3 GLU 49 -11.619 -2.125 -12.017 394 H ALA 50 H ALA 50 -7.361 0.400 -12.874 395 HA ALA 50 HA ALA 50 -6.145 -0.054 -10.349 396 HB1 ALA 50 HB1 ALA 50 -4.908 -0.250 -12.420 397 HB2 ALA 50 HB2 ALA 50 -5.225 1.468 -12.784 398 HB3 ALA 50 HB3 ALA 50 -4.184 1.046 -11.414 399 H GLU 51 H GLU 51 -7.412 3.013 -11.686 400 HA GLU 51 HA GLU 51 -6.130 4.590 -9.593 401 HB2 GLU 51 HB2 GLU 51 -7.438 6.435 -10.343 402 HB3 GLU 51 HB3 GLU 51 -6.823 5.526 -11.741 403 HG2 GLU 51 HG2 GLU 51 -8.972 4.600 -12.196 404 HG3 GLU 51 HG3 GLU 51 -9.653 5.245 -10.699 405 H ARG 52 H ARG 52 -8.890 2.609 -9.659 406 HA ARG 52 HA ARG 52 -10.383 3.884 -7.473 407 HB2 ARG 52 HB2 ARG 52 -10.689 0.968 -8.294 408 HB3 ARG 52 HB3 ARG 52 -11.877 2.007 -7.522 409 HG2 ARG 52 HG2 ARG 52 -10.786 2.202 -10.333 410 HG3 ARG 52 HG3 ARG 52 -12.393 1.626 -9.912 411 HD2 ARG 52 HD2 ARG 52 -11.360 4.471 -9.540 412 HD3 ARG 52 HD3 ARG 52 -12.469 3.923 -10.793 413 HE ARG 52 HE ARG 52 -13.762 3.211 -8.458 414 HH11 ARG 52 HH11 ARG 52 -12.556 6.284 -9.684 415 HH12 ARG 52 HH12 ARG 52 -13.757 7.200 -8.804 416 HH21 ARG 52 HH21 ARG 52 -15.268 4.462 -7.380 417 HH22 ARG 52 HH22 ARG 52 -15.254 6.196 -7.559 418 H ARG 53 H ARG 53 -8.066 1.306 -7.698 419 HA ARG 53 HA ARG 53 -7.977 0.915 -4.739 420 HB2 ARG 53 HB2 ARG 53 -6.633 -1.061 -5.249 421 HB3 ARG 53 HB3 ARG 53 -8.219 -1.119 -5.989 422 HG2 ARG 53 HG2 ARG 53 -6.349 0.053 -7.885 423 HG3 ARG 53 HG3 ARG 53 -5.631 -1.403 -7.241 424 HD2 ARG 53 HD2 ARG 53 -8.402 -1.256 -8.469 425 HD3 ARG 53 HD3 ARG 53 -6.953 -1.859 -9.281 426 HE ARG 53 HE ARG 53 -6.851 -3.612 -7.418 427 HH11 ARG 53 HH11 ARG 53 -9.993 -2.386 -8.430 428 HH12 ARG 53 HH12 ARG 53 -10.789 -3.841 -7.860 429 HH21 ARG 53 HH21 ARG 53 -7.845 -5.318 -6.832 430 HH22 ARG 53 HH22 ARG 53 -9.590 -5.510 -6.961 431 H ASN 54 H ASN 54 -6.479 2.757 -7.018 432 HA ASN 54 HA ASN 54 -4.651 4.155 -6.986 433 HB2 ASN 54 HB2 ASN 54 -5.396 3.750 -4.166 434 HB3 ASN 54 HB3 ASN 54 -3.758 4.317 -4.361 435 HD21 ASN 54 HD21 ASN 54 -6.869 5.242 -6.075 436 HD22 ASN 54 HD22 ASN 54 -6.620 6.940 -5.731 437 H ALA 55 H ALA 55 -3.888 2.237 -8.141 438 HA ALA 55 HA ALA 55 -1.888 0.536 -7.066 439 HB1 ALA 55 HB1 ALA 55 -2.327 1.496 -9.901 440 HB2 ALA 55 HB2 ALA 55 -1.306 0.127 -9.374 441 HB3 ALA 55 HB3 ALA 55 -3.080 0.104 -9.074 442 H ASP 56 H ASP 56 -0.475 1.757 -5.800 443 HA ASP 56 HA ASP 56 0.832 4.121 -6.202 444 HB2 ASP 56 HB2 ASP 56 0.960 1.984 -4.428 445 HB3 ASP 56 HB3 ASP 56 2.606 2.054 -5.030 446 H ILE 57 H ILE 57 1.775 0.994 -7.560 447 HA ILE 57 HA ILE 57 3.579 2.383 -9.477 448 HB ILE 57 HB ILE 57 4.298 -0.427 -8.722 449 HG12 ILE 57 HG12 ILE 57 4.928 1.909 -6.882 450 HG13 ILE 57 HG13 ILE 57 4.014 0.448 -6.496 451 HG21 ILE 57 HG21 ILE 57 5.357 0.957 -10.556 452 HG22 ILE 57 HG22 ILE 57 5.975 2.042 -9.301 453 HG23 ILE 57 HG23 ILE 57 6.500 0.339 -9.364 454 HD11 ILE 57 HD11 ILE 57 6.976 0.569 -7.075 455 HD12 ILE 57 HD12 ILE 57 6.162 0.273 -5.531 456 HD13 ILE 57 HD13 ILE 57 6.035 -0.932 -6.836 457 H VAL 58 H VAL 58 3.032 2.032 -11.492 458 HA VAL 58 HA VAL 58 1.514 -0.398 -12.327 459 HB VAL 58 HB VAL 58 0.714 1.381 -14.164 460 HG11 VAL 58 HG11 VAL 58 -0.461 0.972 -11.419 461 HG12 VAL 58 HG12 VAL 58 -1.319 1.699 -12.801 462 HG13 VAL 58 HG13 VAL 58 -0.778 0.029 -12.922 463 HG21 VAL 58 HG21 VAL 58 1.995 3.239 -12.942 464 HG22 VAL 58 HG22 VAL 58 0.298 3.539 -13.281 465 HG23 VAL 58 HG23 VAL 58 0.832 3.095 -11.624 466 H VAL 59 H VAL 59 3.186 -1.562 -12.900 467 HA VAL 59 HA VAL 59 5.215 -0.724 -14.867 468 HB VAL 59 HB VAL 59 4.547 -3.454 -13.692 469 HG11 VAL 59 HG11 VAL 59 6.792 -4.109 -14.463 470 HG12 VAL 59 HG12 VAL 59 5.835 -3.570 -15.851 471 HG13 VAL 59 HG13 VAL 59 7.054 -2.487 -15.135 472 HG21 VAL 59 HG21 VAL 59 6.749 -1.503 -12.893 473 HG22 VAL 59 HG22 VAL 59 5.311 -1.910 -11.921 474 HG23 VAL 59 HG23 VAL 59 6.524 -3.148 -12.267 475 H ILE 60 H ILE 60 4.261 -0.248 -16.835 476 HA ILE 60 HA ILE 60 2.272 -2.063 -18.006 477 HB ILE 60 HB ILE 60 3.759 0.133 -19.404 478 HG12 ILE 60 HG12 ILE 60 2.757 1.175 -17.302 479 HG13 ILE 60 HG13 ILE 60 2.299 1.873 -18.823 480 HG21 ILE 60 HG21 ILE 60 1.076 -1.198 -19.858 481 HG22 ILE 60 HG22 ILE 60 1.590 0.287 -20.687 482 HG23 ILE 60 HG23 ILE 60 2.509 -1.203 -20.906 483 HD11 ILE 60 HD11 ILE 60 0.401 1.757 -17.375 484 HD12 ILE 60 HD12 ILE 60 0.131 0.643 -18.710 485 HD13 ILE 60 HD13 ILE 60 0.624 0.012 -17.103 486 H VAL 61 H VAL 61 2.843 -3.583 -19.556 487 HA VAL 61 HA VAL 61 5.709 -3.963 -20.327 488 HB VAL 61 HB VAL 61 3.624 -6.125 -20.098 489 HG11 VAL 61 HG11 VAL 61 6.659 -6.208 -20.281 490 HG12 VAL 61 HG12 VAL 61 5.590 -7.612 -20.092 491 HG13 VAL 61 HG13 VAL 61 5.514 -6.651 -21.567 492 HG21 VAL 61 HG21 VAL 61 4.667 -6.829 -17.989 493 HG22 VAL 61 HG22 VAL 61 5.723 -5.401 -17.993 494 HG23 VAL 61 HG23 VAL 61 3.969 -5.221 -17.812 495 H GLY 62 H GLY 62 6.037 -3.622 -22.482 496 HA2 GLY 62 HA2 GLY 62 3.929 -4.464 -24.407 497 HA3 GLY 62 HA3 GLY 62 4.444 -2.773 -24.406 498 HA PRO 63 HA PRO 63 6.681 -5.588 -27.459 499 HB2 PRO 63 HB2 PRO 63 5.971 -3.281 -29.236 500 HB3 PRO 63 HB3 PRO 63 5.893 -5.038 -29.574 501 HG2 PRO 63 HG2 PRO 63 3.649 -3.558 -29.084 502 HG3 PRO 63 HG3 PRO 63 3.820 -5.244 -28.504 503 HD2 PRO 63 HD2 PRO 63 4.084 -2.705 -26.904 504 HD3 PRO 63 HD3 PRO 63 3.443 -4.306 -26.468 505 H SER 64 H SER 64 6.767 -2.040 -27.746 506 HA SER 64 HA SER 64 9.508 -1.672 -26.884 507 HB2 SER 64 HB2 SER 64 10.495 -1.006 -28.905 508 HB3 SER 64 HB3 SER 64 9.709 -2.552 -29.254 509 HG SER 64 HG SER 64 9.216 -1.117 -30.881 510 H GLY 65 H GLY 65 10.123 0.746 -27.367 511 HA2 GLY 65 HA2 GLY 65 7.910 2.504 -26.617 512 HA3 GLY 65 HA3 GLY 65 9.596 2.952 -26.868 513 H SER 66 H SER 66 8.739 1.306 -29.642 514 HA SER 66 HA SER 66 7.868 3.791 -31.081 515 HB2 SER 66 HB2 SER 66 10.249 2.062 -31.820 516 HB3 SER 66 HB3 SER 66 9.681 3.495 -32.687 517 HG SER 66 HG SER 66 10.204 4.749 -30.885 518 H GLY 67 H GLY 67 7.385 0.380 -30.876 519 HA2 GLY 67 HA2 GLY 67 6.867 -0.384 -33.546 520 HA3 GLY 67 HA3 GLY 67 6.046 -1.037 -32.114 521 H LYS 68 H LYS 68 4.634 0.822 -31.141 522 HA LYS 68 HA LYS 68 2.933 2.485 -32.629 523 HB2 LYS 68 HB2 LYS 68 0.868 1.000 -32.716 524 HB3 LYS 68 HB3 LYS 68 2.086 0.748 -33.941 525 HG2 LYS 68 HG2 LYS 68 2.054 -1.421 -33.528 526 HG3 LYS 68 HG3 LYS 68 2.797 -1.138 -31.957 527 HD2 LYS 68 HD2 LYS 68 0.493 -0.813 -31.003 528 HD3 LYS 68 HD3 LYS 68 -0.157 -1.283 -32.596 529 HE2 LYS 68 HE2 LYS 68 1.168 -3.439 -32.381 530 HE3 LYS 68 HE3 LYS 68 1.583 -2.966 -30.738 531 HZ1 LYS 68 HZ1 LYS 68 -0.358 -4.425 -30.780 532 HZ2 LYS 68 HZ2 LYS 68 -0.814 -2.959 -30.220 533 HZ3 LYS 68 HZ3 LYS 68 -1.177 -3.409 -31.749 534 H SER 69 H SER 69 2.555 -0.084 -30.268 535 HA SER 69 HA SER 69 1.640 -0.203 -28.173 536 HB2 SER 69 HB2 SER 69 3.907 1.766 -27.826 537 HB3 SER 69 HB3 SER 69 3.344 0.560 -26.646 538 HG SER 69 HG SER 69 5.206 -0.064 -27.926 539 H THR 70 H THR 70 0.068 2.063 -29.497 540 HA THR 70 HA THR 70 -0.138 4.244 -27.802 541 HB THR 70 HB THR 70 -2.686 3.181 -28.963 542 HG1 THR 70 HG1 THR 70 -1.991 3.925 -31.004 543 HG21 THR 70 HG21 THR 70 -1.320 5.908 -29.025 544 HG22 THR 70 HG22 THR 70 -2.970 5.536 -29.600 545 HG23 THR 70 HG23 THR 70 -2.579 5.404 -27.876 546 H LEU 71 H LEU 71 -1.893 1.146 -27.479 547 HA LEU 71 HA LEU 71 -3.613 1.802 -25.376 548 HB2 LEU 71 HB2 LEU 71 -2.248 -0.888 -25.574 549 HB3 LEU 71 HB3 LEU 71 -3.878 -0.457 -25.065 550 HG LEU 71 HG LEU 71 -4.347 -1.489 -26.975 551 HD11 LEU 71 HD11 LEU 71 -3.884 1.233 -28.266 552 HD12 LEU 71 HD12 LEU 71 -5.065 0.009 -28.685 553 HD13 LEU 71 HD13 LEU 71 -5.198 0.896 -27.137 554 HD21 LEU 71 HD21 LEU 71 -1.927 -0.332 -28.414 555 HD22 LEU 71 HD22 LEU 71 -2.049 -1.946 -27.684 556 HD23 LEU 71 HD23 LEU 71 -3.099 -1.505 -29.040 557 H ALA 72 H ALA 72 -0.170 0.998 -25.206 558 HA ALA 72 HA ALA 72 -0.003 0.735 -22.337 559 HB1 ALA 72 HB1 ALA 72 1.644 -0.270 -23.919 560 HB2 ALA 72 HB2 ALA 72 2.175 1.350 -24.391 561 HB3 ALA 72 HB3 ALA 72 2.429 0.787 -22.743 562 H LYS 73 H LYS 73 0.646 3.504 -24.581 563 HA LYS 73 HA LYS 73 1.139 5.314 -22.373 564 HB2 LYS 73 HB2 LYS 73 1.123 7.152 -23.903 565 HB3 LYS 73 HB3 LYS 73 2.167 5.869 -24.467 566 HG2 LYS 73 HG2 LYS 73 0.960 5.486 -26.345 567 HG3 LYS 73 HG3 LYS 73 -0.599 5.809 -25.566 568 HD2 LYS 73 HD2 LYS 73 1.258 8.091 -26.191 569 HD3 LYS 73 HD3 LYS 73 0.166 7.403 -27.407 570 HE2 LYS 73 HE2 LYS 73 -1.764 7.679 -25.855 571 HE3 LYS 73 HE3 LYS 73 -0.720 8.447 -24.680 572 HZ1 LYS 73 HZ1 LYS 73 -0.288 10.211 -26.311 573 HZ2 LYS 73 HZ2 LYS 73 -1.232 9.477 -27.415 574 HZ3 LYS 73 HZ3 LYS 73 -1.898 10.089 -26.061 575 H ILE 74 H ILE 74 -1.836 4.362 -24.016 576 HA ILE 74 HA ILE 74 -3.502 6.420 -22.927 577 HB ILE 74 HB ILE 74 -4.130 3.571 -23.783 578 HG12 ILE 74 HG12 ILE 74 -4.929 6.214 -25.096 579 HG13 ILE 74 HG13 ILE 74 -3.431 5.402 -25.499 580 HG21 ILE 74 HG21 ILE 74 -6.521 4.162 -23.707 581 HG22 ILE 74 HG22 ILE 74 -5.830 4.264 -22.095 582 HG23 ILE 74 HG23 ILE 74 -6.118 5.750 -23.015 583 HD11 ILE 74 HD11 ILE 74 -6.238 4.336 -25.954 584 HD12 ILE 74 HD12 ILE 74 -5.051 4.806 -27.174 585 HD13 ILE 74 HD13 ILE 74 -4.782 3.353 -26.212 586 H VAL 75 H VAL 75 -2.799 3.069 -21.627 587 HA VAL 75 HA VAL 75 -4.074 3.457 -19.120 588 HB VAL 75 HB VAL 75 -1.579 1.840 -19.799 589 HG11 VAL 75 HG11 VAL 75 -1.823 2.181 -17.296 590 HG12 VAL 75 HG12 VAL 75 -3.440 1.468 -17.390 591 HG13 VAL 75 HG13 VAL 75 -2.030 0.498 -17.808 592 HG21 VAL 75 HG21 VAL 75 -4.463 0.941 -19.581 593 HG22 VAL 75 HG22 VAL 75 -3.465 1.060 -21.074 594 HG23 VAL 75 HG23 VAL 75 -3.047 -0.114 -19.842 595 H LYS 76 H LYS 76 -0.642 4.073 -20.023 596 HA LYS 76 HA LYS 76 0.178 5.128 -17.539 597 HB2 LYS 76 HB2 LYS 76 1.748 4.532 -19.251 598 HB3 LYS 76 HB3 LYS 76 1.150 5.800 -20.337 599 HG2 LYS 76 HG2 LYS 76 2.289 7.465 -19.306 600 HG3 LYS 76 HG3 LYS 76 2.077 6.802 -17.699 601 HD2 LYS 76 HD2 LYS 76 4.460 6.835 -18.379 602 HD3 LYS 76 HD3 LYS 76 3.852 5.238 -17.959 603 HE2 LYS 76 HE2 LYS 76 5.268 4.922 -19.786 604 HE3 LYS 76 HE3 LYS 76 3.639 4.626 -20.323 605 HZ1 LYS 76 HZ1 LYS 76 3.667 6.877 -21.340 606 HZ2 LYS 76 HZ2 LYS 76 5.214 7.092 -20.849 607 HZ3 LYS 76 HZ3 LYS 76 4.851 5.900 -21.904 608 H LYS 77 H LYS 77 -1.532 6.865 -20.106 609 HA LYS 77 HA LYS 77 -1.393 9.436 -18.702 610 HB2 LYS 77 HB2 LYS 77 -3.086 8.403 -21.010 611 HB3 LYS 77 HB3 LYS 77 -3.390 9.970 -20.285 612 HG2 LYS 77 HG2 LYS 77 -0.777 9.141 -21.595 613 HG3 LYS 77 HG3 LYS 77 -2.028 10.171 -22.295 614 HD2 LYS 77 HD2 LYS 77 -1.641 11.743 -20.266 615 HD3 LYS 77 HD3 LYS 77 -0.208 10.777 -19.928 616 HE2 LYS 77 HE2 LYS 77 0.646 12.546 -21.169 617 HE3 LYS 77 HE3 LYS 77 0.536 11.243 -22.341 618 HZ1 LYS 77 HZ1 LYS 77 -0.343 13.335 -23.217 619 HZ2 LYS 77 HZ2 LYS 77 -1.562 12.251 -23.127 620 HZ3 LYS 77 HZ3 LYS 77 -1.437 13.446 -22.021 621 H ILE 78 H ILE 78 -3.836 6.817 -18.727 622 HA ILE 78 HA ILE 78 -5.684 8.257 -17.048 623 HB ILE 78 HB ILE 78 -5.374 5.279 -17.442 624 HG12 ILE 78 HG12 ILE 78 -6.551 7.427 -19.070 625 HG13 ILE 78 HG13 ILE 78 -6.067 5.790 -19.467 626 HG21 ILE 78 HG21 ILE 78 -7.580 6.869 -16.079 627 HG22 ILE 78 HG22 ILE 78 -7.679 5.140 -16.469 628 HG23 ILE 78 HG23 ILE 78 -6.487 5.684 -15.319 629 HD11 ILE 78 HD11 ILE 78 -8.236 4.939 -18.562 630 HD12 ILE 78 HD12 ILE 78 -8.729 6.620 -18.278 631 HD13 ILE 78 HD13 ILE 78 -8.415 6.059 -19.935 632 H ILE 79 H ILE 79 -2.880 6.185 -16.165 633 HA ILE 79 HA ILE 79 -3.543 6.598 -13.323 634 HB ILE 79 HB ILE 79 -1.232 5.051 -14.484 635 HG12 ILE 79 HG12 ILE 79 -3.303 4.064 -15.322 636 HG13 ILE 79 HG13 ILE 79 -2.607 3.040 -14.089 637 HG21 ILE 79 HG21 ILE 79 -2.451 5.395 -11.724 638 HG22 ILE 79 HG22 ILE 79 -1.615 3.892 -12.132 639 HG23 ILE 79 HG23 ILE 79 -0.746 5.433 -12.246 640 HD11 ILE 79 HD11 ILE 79 -4.939 4.968 -13.616 641 HD12 ILE 79 HD12 ILE 79 -5.046 3.243 -13.932 642 HD13 ILE 79 HD13 ILE 79 -4.268 3.822 -12.435 643 H ALA 80 H ALA 80 -1.290 8.014 -15.605 644 HA ALA 80 HA ALA 80 0.537 9.122 -13.861 645 HB1 ALA 80 HB1 ALA 80 -0.629 10.280 -16.419 646 HB2 ALA 80 HB2 ALA 80 0.772 10.966 -15.576 647 HB3 ALA 80 HB3 ALA 80 0.862 9.325 -16.230 648 H ARG 81 H ARG 81 -2.785 10.325 -14.612 649 HA ARG 81 HA ARG 81 -2.462 12.548 -12.697 650 HB2 ARG 81 HB2 ARG 81 -4.304 13.536 -13.543 651 HB3 ARG 81 HB3 ARG 81 -3.696 12.745 -14.978 652 HG2 ARG 81 HG2 ARG 81 -5.842 11.521 -13.199 653 HG3 ARG 81 HG3 ARG 81 -6.229 12.676 -14.478 654 HD2 ARG 81 HD2 ARG 81 -5.555 11.152 -16.203 655 HD3 ARG 81 HD3 ARG 81 -4.697 10.140 -15.050 656 HE ARG 81 HE ARG 81 -6.600 9.040 -14.505 657 HH11 ARG 81 HH11 ARG 81 -7.694 11.859 -16.276 658 HH12 ARG 81 HH12 ARG 81 -9.360 11.336 -16.232 659 HH21 ARG 81 HH21 ARG 81 -8.733 8.518 -14.354 660 HH22 ARG 81 HH22 ARG 81 -9.925 9.473 -15.187 661 H ALA 82 H ALA 82 -3.730 9.292 -12.687 662 HA ALA 82 HA ALA 82 -5.575 9.509 -10.521 663 HB1 ALA 82 HB1 ALA 82 -3.724 7.191 -11.184 664 HB2 ALA 82 HB2 ALA 82 -5.221 7.115 -10.253 665 HB3 ALA 82 HB3 ALA 82 -5.302 7.504 -11.982 666 H GLY 83 H GLY 83 -2.125 9.611 -10.534 667 HA2 GLY 83 HA2 GLY 83 -1.148 10.882 -8.661 668 HA3 GLY 83 HA3 GLY 83 -2.126 9.920 -7.546 669 H ALA 84 H ALA 84 -0.509 8.253 -10.175 670 HA ALA 84 HA ALA 84 1.491 7.106 -8.259 671 HB1 ALA 84 HB1 ALA 84 -0.354 5.595 -8.421 672 HB2 ALA 84 HB2 ALA 84 -0.439 5.800 -10.184 673 HB3 ALA 84 HB3 ALA 84 0.934 4.941 -9.472 674 H LYS 85 H LYS 85 3.012 5.621 -9.530 675 HA LYS 85 HA LYS 85 4.127 7.127 -11.851 676 HB2 LYS 85 HB2 LYS 85 6.308 6.209 -11.208 677 HB3 LYS 85 HB3 LYS 85 5.567 7.190 -9.927 678 HG2 LYS 85 HG2 LYS 85 4.765 5.089 -8.837 679 HG3 LYS 85 HG3 LYS 85 5.500 4.146 -10.093 680 HD2 LYS 85 HD2 LYS 85 6.804 4.132 -8.079 681 HD3 LYS 85 HD3 LYS 85 7.766 4.865 -9.361 682 HE2 LYS 85 HE2 LYS 85 6.230 6.536 -7.320 683 HE3 LYS 85 HE3 LYS 85 7.802 5.846 -6.946 684 HZ1 LYS 85 HZ1 LYS 85 7.264 7.899 -8.988 685 HZ2 LYS 85 HZ2 LYS 85 8.255 7.969 -7.703 686 HZ3 LYS 85 HZ3 LYS 85 8.665 7.043 -8.959 687 H THR 86 H THR 86 4.125 6.276 -13.653 688 HA THR 86 HA THR 86 3.680 3.359 -14.063 689 HB THR 86 HB THR 86 2.871 5.446 -16.102 690 HG1 THR 86 HG1 THR 86 1.167 6.164 -15.079 691 HG21 THR 86 HG21 THR 86 0.651 3.958 -15.877 692 HG22 THR 86 HG22 THR 86 2.011 3.595 -16.964 693 HG23 THR 86 HG23 THR 86 1.855 2.761 -15.405 694 H ILE 87 H ILE 87 4.794 2.230 -15.488 695 HA ILE 87 HA ILE 87 6.834 3.670 -17.144 696 HB ILE 87 HB ILE 87 8.500 1.869 -16.447 697 HG12 ILE 87 HG12 ILE 87 6.930 0.344 -15.397 698 HG13 ILE 87 HG13 ILE 87 8.383 0.715 -14.464 699 HG21 ILE 87 HG21 ILE 87 7.733 3.986 -14.457 700 HG22 ILE 87 HG22 ILE 87 9.295 3.104 -14.541 701 HG23 ILE 87 HG23 ILE 87 8.801 4.158 -15.861 702 HD11 ILE 87 HD11 ILE 87 6.539 2.474 -13.378 703 HD12 ILE 87 HD12 ILE 87 5.537 1.105 -13.861 704 HD13 ILE 87 HD13 ILE 87 6.892 0.825 -12.760 705 H GLU 88 H GLU 88 7.943 2.212 -18.655 706 HA GLU 88 HA GLU 88 6.075 0.174 -19.805 707 HB2 GLU 88 HB2 GLU 88 7.344 2.531 -21.237 708 HB3 GLU 88 HB3 GLU 88 6.849 1.072 -22.091 709 HG2 GLU 88 HG2 GLU 88 4.537 1.344 -21.317 710 HG3 GLU 88 HG3 GLU 88 4.983 2.829 -20.476 711 H VAL 89 H VAL 89 7.304 -1.492 -19.066 712 HA VAL 89 HA VAL 89 10.154 -1.768 -19.810 713 HB VAL 89 HB VAL 89 10.291 -3.557 -18.398 714 HG11 VAL 89 HG11 VAL 89 7.968 -2.006 -17.158 715 HG12 VAL 89 HG12 VAL 89 9.063 -3.092 -16.304 716 HG13 VAL 89 HG13 VAL 89 9.685 -1.586 -17.013 717 HG21 VAL 89 HG21 VAL 89 7.295 -3.976 -18.643 718 HG22 VAL 89 HG22 VAL 89 8.576 -5.028 -19.303 719 HG23 VAL 89 HG23 VAL 89 8.352 -4.910 -17.562 720 H THR 90 H THR 90 10.851 -3.662 -21.168 721 HA THR 90 HA THR 90 8.747 -4.523 -23.124 722 HB THR 90 HB THR 90 10.370 -4.312 -24.939 723 HG1 THR 90 HG1 THR 90 12.262 -3.136 -24.534 724 HG21 THR 90 HG21 THR 90 8.908 -2.443 -24.720 725 HG22 THR 90 HG22 THR 90 9.893 -1.731 -23.411 726 HG23 THR 90 HG23 THR 90 10.545 -1.832 -25.052 727 H THR 91 H THR 91 9.517 -6.281 -24.603 728 HA THR 91 HA THR 91 10.161 -8.544 -22.926 729 HB THR 91 HB THR 91 9.621 -9.815 -25.010 730 HG1 THR 91 HG1 THR 91 8.892 -8.636 -26.762 731 HG21 THR 91 HG21 THR 91 7.580 -7.625 -24.413 732 HG22 THR 91 HG22 THR 91 7.272 -9.248 -25.062 733 HG23 THR 91 HG23 THR 91 7.840 -9.055 -23.390 734 H GLU 92 H GLU 92 12.341 -6.540 -24.550 735 HA GLU 92 HA GLU 92 14.196 -8.844 -25.042 736 HB2 GLU 92 HB2 GLU 92 14.861 -7.887 -27.145 737 HB3 GLU 92 HB3 GLU 92 13.142 -8.244 -27.115 738 HG2 GLU 92 HG2 GLU 92 12.599 -5.864 -26.832 739 HG3 GLU 92 HG3 GLU 92 14.309 -5.456 -26.722 740 H GLU 93 H GLU 93 14.257 -5.329 -24.154 741 HA GLU 93 HA GLU 93 17.005 -5.775 -23.166 742 HB2 GLU 93 HB2 GLU 93 17.219 -5.388 -25.653 743 HB3 GLU 93 HB3 GLU 93 16.566 -3.767 -25.416 744 HG2 GLU 93 HG2 GLU 93 18.475 -3.156 -24.029 745 HG3 GLU 93 HG3 GLU 93 19.025 -4.826 -23.961 746 H GLU 94 H GLU 94 14.563 -3.175 -23.807 747 HA GLU 94 HA GLU 94 15.739 -1.375 -21.874 748 HB2 GLU 94 HB2 GLU 94 12.935 -1.315 -23.045 749 HB3 GLU 94 HB3 GLU 94 13.740 0.001 -22.217 750 HG2 GLU 94 HG2 GLU 94 14.677 -1.142 -24.883 751 HG3 GLU 94 HG3 GLU 94 13.617 0.239 -24.685 752 H LEU 95 H LEU 95 14.076 -4.177 -21.336 753 HA LEU 95 HA LEU 95 12.222 -3.955 -19.359 754 HB2 LEU 95 HB2 LEU 95 12.955 -6.028 -20.400 755 HB3 LEU 95 HB3 LEU 95 14.523 -5.921 -19.629 756 HG LEU 95 HG LEU 95 13.542 -6.326 -17.424 757 HD11 LEU 95 HD11 LEU 95 10.875 -6.438 -18.892 758 HD12 LEU 95 HD12 LEU 95 11.146 -7.036 -17.241 759 HD13 LEU 95 HD13 LEU 95 11.345 -5.316 -17.585 760 HD21 LEU 95 HD21 LEU 95 14.189 -8.226 -18.867 761 HD22 LEU 95 HD22 LEU 95 12.829 -8.642 -17.805 762 HD23 LEU 95 HD23 LEU 95 12.536 -8.289 -19.524 763 H ARG 96 H ARG 96 15.678 -4.448 -18.422 764 HA ARG 96 HA ARG 96 15.096 -4.073 -15.680 765 HB2 ARG 96 HB2 ARG 96 17.041 -5.337 -16.532 766 HB3 ARG 96 HB3 ARG 96 17.784 -3.845 -17.095 767 HG2 ARG 96 HG2 ARG 96 18.777 -4.625 -14.992 768 HG3 ARG 96 HG3 ARG 96 18.036 -3.041 -14.790 769 HD2 ARG 96 HD2 ARG 96 16.079 -4.069 -13.692 770 HD3 ARG 96 HD3 ARG 96 16.734 -5.679 -13.984 771 HE ARG 96 HE ARG 96 17.987 -3.587 -12.216 772 HH11 ARG 96 HH11 ARG 96 17.380 -7.011 -12.760 773 HH12 ARG 96 HH12 ARG 96 18.179 -7.464 -11.271 774 HH21 ARG 96 HH21 ARG 96 18.977 -4.242 -10.360 775 HH22 ARG 96 HH22 ARG 96 19.043 -5.937 -9.953 776 H LYS 97 H LYS 97 16.374 -1.652 -17.986 777 HA LYS 97 HA LYS 97 16.637 0.414 -15.983 778 HB2 LYS 97 HB2 LYS 97 16.996 1.972 -17.752 779 HB3 LYS 97 HB3 LYS 97 17.889 0.494 -18.078 780 HG2 LYS 97 HG2 LYS 97 16.146 -0.193 -19.710 781 HG3 LYS 97 HG3 LYS 97 15.252 1.302 -19.389 782 HD2 LYS 97 HD2 LYS 97 16.398 1.613 -21.412 783 HD3 LYS 97 HD3 LYS 97 17.243 2.606 -20.218 784 HE2 LYS 97 HE2 LYS 97 19.074 1.079 -20.090 785 HE3 LYS 97 HE3 LYS 97 18.155 -0.216 -20.858 786 HZ1 LYS 97 HZ1 LYS 97 18.976 2.257 -22.268 787 HZ2 LYS 97 HZ2 LYS 97 19.722 0.805 -22.409 788 HZ3 LYS 97 HZ3 LYS 97 18.180 0.973 -22.905 789 H ALA 98 H ALA 98 13.896 -0.321 -18.213 790 HA ALA 98 HA ALA 98 12.243 1.852 -17.376 791 HB1 ALA 98 HB1 ALA 98 11.537 -0.954 -18.296 792 HB2 ALA 98 HB2 ALA 98 10.409 0.404 -18.202 793 HB3 ALA 98 HB3 ALA 98 11.773 0.467 -19.357 794 H VAL 99 H VAL 99 12.512 -1.470 -16.158 795 HA VAL 99 HA VAL 99 10.585 -1.333 -14.085 796 HB VAL 99 HB VAL 99 13.158 -2.952 -14.370 797 HG11 VAL 99 HG11 VAL 99 11.061 -3.406 -12.213 798 HG12 VAL 99 HG12 VAL 99 12.479 -4.420 -12.560 799 HG13 VAL 99 HG13 VAL 99 12.712 -2.798 -11.925 800 HG21 VAL 99 HG21 VAL 99 11.245 -3.530 -15.878 801 HG22 VAL 99 HG22 VAL 99 11.682 -4.845 -14.778 802 HG23 VAL 99 HG23 VAL 99 10.245 -3.846 -14.447 803 H ALA 100 H ALA 100 14.114 -0.792 -13.930 804 HA ALA 100 HA ALA 100 14.288 -0.110 -11.226 805 HB1 ALA 100 HB1 ALA 100 15.982 0.947 -13.527 806 HB2 ALA 100 HB2 ALA 100 16.443 0.941 -11.814 807 HB3 ALA 100 HB3 ALA 100 16.233 -0.592 -12.679 808 H LYS 101 H LYS 101 13.644 2.054 -13.963 809 HA LYS 101 HA LYS 101 13.640 4.532 -12.660 810 HB2 LYS 101 HB2 LYS 101 12.385 3.422 -15.192 811 HB3 LYS 101 HB3 LYS 101 12.075 5.095 -14.732 812 HG2 LYS 101 HG2 LYS 101 14.849 3.903 -15.133 813 HG3 LYS 101 HG3 LYS 101 13.938 4.810 -16.348 814 HD2 LYS 101 HD2 LYS 101 14.009 6.821 -14.915 815 HD3 LYS 101 HD3 LYS 101 14.841 5.907 -13.642 816 HE2 LYS 101 HE2 LYS 101 16.706 5.428 -15.246 817 HE3 LYS 101 HE3 LYS 101 15.934 6.488 -16.421 818 HZ1 LYS 101 HZ1 LYS 101 17.620 7.665 -15.140 819 HZ2 LYS 101 HZ2 LYS 101 16.158 8.312 -14.819 820 HZ3 LYS 101 HZ3 LYS 101 16.878 7.321 -13.733 821 H ALA 102 H ALA 102 11.171 2.168 -12.278 822 HA ALA 102 HA ALA 102 9.932 4.161 -10.390 823 HB1 ALA 102 HB1 ALA 102 8.528 2.437 -12.386 824 HB2 ALA 102 HB2 ALA 102 7.690 3.223 -11.027 825 HB3 ALA 102 HB3 ALA 102 8.476 4.232 -12.280 826 H ARG 103 H ARG 103 9.824 0.656 -11.333 827 HA ARG 103 HA ARG 103 8.783 -0.196 -8.794 828 HB2 ARG 103 HB2 ARG 103 8.594 -1.466 -10.951 829 HB3 ARG 103 HB3 ARG 103 10.333 -1.730 -10.924 830 HG2 ARG 103 HG2 ARG 103 9.094 -3.720 -10.225 831 HG3 ARG 103 HG3 ARG 103 10.136 -3.131 -8.931 832 HD2 ARG 103 HD2 ARG 103 8.080 -1.979 -7.928 833 HD3 ARG 103 HD3 ARG 103 7.123 -2.765 -9.180 834 HE ARG 103 HE ARG 103 7.300 -4.780 -8.021 835 HH11 ARG 103 HH11 ARG 103 9.736 -2.608 -6.652 836 HH12 ARG 103 HH12 ARG 103 9.991 -3.655 -5.284 837 HH21 ARG 103 HH21 ARG 103 7.715 -6.045 -6.249 838 HH22 ARG 103 HH22 ARG 103 8.909 -5.546 -5.077 839 H GLY 104 H GLY 104 11.944 0.643 -9.825 840 HA2 GLY 104 HA2 GLY 104 13.228 -0.280 -7.274 841 HA3 GLY 104 HA3 GLY 104 14.048 0.591 -8.585 842 H SER 105 H SER 105 12.688 2.811 -9.046 843 HA SER 105 HA SER 105 13.674 4.567 -7.141 844 HB2 SER 105 HB2 SER 105 11.345 5.070 -9.032 845 HB3 SER 105 HB3 SER 105 12.282 6.304 -8.173 846 HG SER 105 HG SER 105 13.069 5.989 -10.273 847 H TRP 106 H TRP 106 10.333 3.273 -7.277 848 HA TRP 106 HA TRP 106 9.104 4.822 -5.343 849 HB2 TRP 106 HB2 TRP 106 8.139 3.033 -6.842 850 HB3 TRP 106 HB3 TRP 106 8.722 1.821 -5.735 851 HD1 TRP 106 HD1 TRP 106 5.911 4.289 -6.226 852 HE1 TRP 106 HE1 TRP 106 4.304 4.286 -4.326 853 HE3 TRP 106 HE3 TRP 106 8.507 1.241 -3.007 854 HZ2 TRP 106 HZ2 TRP 106 4.258 3.389 -1.542 855 HZ3 TRP 106 HZ3 TRP 106 7.730 0.950 -0.697 856 HH2 TRP 106 HH2 TRP 106 5.624 2.043 0.077 857 H SER 107 H SER 107 10.954 1.786 -4.640 858 HA SER 107 HA SER 107 10.605 2.080 -1.766 859 HB2 SER 107 HB2 SER 107 12.561 0.385 -3.349 860 HB3 SER 107 HB3 SER 107 12.196 0.226 -1.620 861 HG SER 107 HG SER 107 11.010 -1.237 -2.939 862 H LEU 108 H LEU 108 12.782 3.477 -4.086 863 HA LEU 108 HA LEU 108 14.779 4.292 -2.180 864 HB2 LEU 108 HB2 LEU 108 14.405 4.060 -5.102 865 HB3 LEU 108 HB3 LEU 108 15.004 5.652 -4.689 866 HG LEU 108 HG LEU 108 16.808 4.189 -5.207 867 HD11 LEU 108 HD11 LEU 108 18.216 4.430 -3.287 868 HD12 LEU 108 HD12 LEU 108 17.073 5.800 -3.299 869 HD13 LEU 108 HD13 LEU 108 16.820 4.436 -2.185 870 HD21 LEU 108 HD21 LEU 108 15.707 2.020 -4.717 871 HD22 LEU 108 HD22 LEU 108 17.331 2.132 -3.996 872 HD23 LEU 108 HD23 LEU 108 15.884 2.324 -2.981 873 H GLU 109 H GLU 109 11.752 5.535 -3.400 874 HA GLU 109 HA GLU 109 12.193 8.301 -2.442 875 HB2 GLU 109 HB2 GLU 109 9.649 7.024 -3.474 876 HB3 GLU 109 HB3 GLU 109 9.980 8.736 -3.309 877 HG2 GLU 109 HG2 GLU 109 11.995 7.835 -5.067 878 HG3 GLU 109 HG3 GLU 109 10.576 6.904 -5.525 879 H HIS 110 H HIS 110 10.136 5.506 -1.625 880 HA HIS 110 HA HIS 110 8.853 6.915 0.624 881 HB2 HIS 110 HB2 HIS 110 8.302 4.277 -0.776 882 HB3 HIS 110 HB3 HIS 110 7.419 4.825 0.650 883 HD2 HIS 110 HD2 HIS 110 7.638 5.423 -3.098 884 HE1 HIS 110 HE1 HIS 110 4.696 8.130 -1.638 885 HE2 HIS 110 HE2 HIS 110 5.730 7.123 -3.729 886 H HIS 111 H HIS 111 11.629 6.217 0.784 887 HA HIS 111 HA HIS 111 11.609 4.723 3.386 888 HB2 HIS 111 HB2 HIS 111 12.569 3.291 1.671 889 HB3 HIS 111 HB3 HIS 111 13.677 4.571 1.167 890 HD2 HIS 111 HD2 HIS 111 13.004 2.225 4.193 891 HE1 HIS 111 HE1 HIS 111 17.039 3.553 4.503 892 HE2 HIS 111 HE2 HIS 111 15.282 2.023 5.497 893 H HIS 112 H HIS 112 12.292 5.890 5.031 894 HA HIS 112 HA HIS 112 13.922 8.361 4.580 895 HB2 HIS 112 HB2 HIS 112 11.449 8.209 6.328 896 HB3 HIS 112 HB3 HIS 112 12.319 9.650 5.818 897 HD2 HIS 112 HD2 HIS 112 12.333 9.753 2.830 898 HE1 HIS 112 HE1 HIS 112 8.348 8.273 2.639 899 HE2 HIS 112 HE2 HIS 112 10.234 9.337 1.314 900 H HIS 113 H HIS 113 14.288 5.578 6.156 901 HA HIS 113 HA HIS 113 15.428 6.810 8.626 902 HB2 HIS 113 HB2 HIS 113 13.095 6.097 9.115 903 HB3 HIS 113 HB3 HIS 113 13.503 4.456 8.609 904 HD2 HIS 113 HD2 HIS 113 14.286 2.900 10.526 905 HE1 HIS 113 HE1 HIS 113 15.758 5.790 13.289 906 HE2 HIS 113 HE2 HIS 113 15.419 3.304 12.859 907 H HIS 114 H HIS 114 17.069 5.630 9.660 908 HA HIS 114 HA HIS 114 18.329 3.468 8.002 909 HB2 HIS 114 HB2 HIS 114 19.662 6.001 9.012 910 HB3 HIS 114 HB3 HIS 114 20.432 4.717 8.081 911 HD2 HIS 114 HD2 HIS 114 18.489 7.898 7.634 912 HE1 HIS 114 HE1 HIS 114 18.651 6.150 3.754 913 HE2 HIS 114 HE2 HIS 114 18.064 8.248 5.062 914 H HIS 115 H HIS 115 17.109 3.534 10.899 915 HA HIS 115 HA HIS 115 19.335 1.976 12.131 916 HB2 HIS 115 HB2 HIS 115 19.538 4.290 12.966 917 HB3 HIS 115 HB3 HIS 115 17.881 4.231 13.554 918 HD2 HIS 115 HD2 HIS 115 17.616 3.482 16.024 919 HE1 HIS 115 HE1 HIS 115 21.342 1.503 16.602 920 HE2 HIS 115 HE2 HIS 115 19.203 2.262 17.739 Start of MODEL 11 1 H1 MET 1 H1 MET 1 2.634 0.163 0.541 2 H2 MET 1 H2 MET 1 3.028 -1.125 -0.395 3 H3 MET 1 H3 MET 1 1.511 -0.980 0.194 4 HA MET 1 HA MET 1 1.093 0.962 -1.106 5 HB2 MET 1 HB2 MET 1 2.616 1.874 -2.643 6 HB3 MET 1 HB3 MET 1 3.503 1.698 -1.141 7 HG2 MET 1 HG2 MET 1 3.736 -0.111 -3.581 8 HG3 MET 1 HG3 MET 1 4.858 1.139 -3.099 9 HE1 MET 1 HE1 MET 1 6.899 -0.424 -3.337 10 HE2 MET 1 HE2 MET 1 7.031 -2.012 -2.561 11 HE3 MET 1 HE3 MET 1 5.827 -1.755 -3.843 12 H ARG 2 H ARG 2 -0.020 0.697 -3.144 13 HA ARG 2 HA ARG 2 -0.334 -2.132 -3.857 14 HB2 ARG 2 HB2 ARG 2 -2.283 -0.522 -3.704 15 HB3 ARG 2 HB3 ARG 2 -1.658 0.270 -5.140 16 HG2 ARG 2 HG2 ARG 2 -1.950 -1.740 -6.491 17 HG3 ARG 2 HG3 ARG 2 -2.165 -2.748 -5.066 18 HD2 ARG 2 HD2 ARG 2 -4.126 -0.684 -6.098 19 HD3 ARG 2 HD3 ARG 2 -4.223 -2.426 -6.361 20 HE ARG 2 HE ARG 2 -5.056 -0.947 -4.047 21 HH11 ARG 2 HH11 ARG 2 -3.894 -4.172 -4.887 22 HH12 ARG 2 HH12 ARG 2 -4.619 -4.882 -3.472 23 HH21 ARG 2 HH21 ARG 2 -5.923 -1.931 -2.274 24 HH22 ARG 2 HH22 ARG 2 -5.760 -3.652 -2.055 25 H VAL 3 H VAL 3 0.130 -3.149 -5.681 26 HA VAL 3 HA VAL 3 1.755 -1.776 -7.776 27 HB VAL 3 HB VAL 3 2.152 -4.551 -6.596 28 HG11 VAL 3 HG11 VAL 3 3.583 -3.219 -8.942 29 HG12 VAL 3 HG12 VAL 3 4.104 -4.710 -8.129 30 HG13 VAL 3 HG13 VAL 3 2.579 -4.686 -9.016 31 HG21 VAL 3 HG21 VAL 3 4.399 -3.673 -6.030 32 HG22 VAL 3 HG22 VAL 3 3.929 -2.081 -6.663 33 HG23 VAL 3 HG23 VAL 3 3.127 -2.759 -5.229 34 H ILE 4 H ILE 4 1.320 -2.218 -9.824 35 HA ILE 4 HA ILE 4 -0.671 -4.287 -10.607 36 HB ILE 4 HB ILE 4 -0.831 -1.343 -11.164 37 HG12 ILE 4 HG12 ILE 4 -2.510 -3.554 -9.898 38 HG13 ILE 4 HG13 ILE 4 -2.103 -1.989 -9.233 39 HG21 ILE 4 HG21 ILE 4 -2.269 -3.491 -12.739 40 HG22 ILE 4 HG22 ILE 4 -2.528 -1.729 -12.860 41 HG23 ILE 4 HG23 ILE 4 -0.985 -2.388 -13.344 42 HD11 ILE 4 HD11 ILE 4 -4.234 -2.662 -11.290 43 HD12 ILE 4 HD12 ILE 4 -4.438 -1.965 -9.669 44 HD13 ILE 4 HD13 ILE 4 -3.681 -1.002 -10.963 45 H VAL 5 H VAL 5 -0.357 -5.116 -12.544 46 HA VAL 5 HA VAL 5 1.873 -4.055 -14.203 47 HB VAL 5 HB VAL 5 1.482 -7.019 -13.754 48 HG11 VAL 5 HG11 VAL 5 3.665 -5.513 -15.256 49 HG12 VAL 5 HG12 VAL 5 3.541 -7.273 -15.041 50 HG13 VAL 5 HG13 VAL 5 2.343 -6.416 -16.015 51 HG21 VAL 5 HG21 VAL 5 3.663 -5.168 -12.699 52 HG22 VAL 5 HG22 VAL 5 2.493 -6.099 -11.740 53 HG23 VAL 5 HG23 VAL 5 3.733 -6.937 -12.675 54 H VAL 6 H VAL 6 1.038 -3.391 -16.038 55 HA VAL 6 HA VAL 6 -1.350 -4.832 -17.168 56 HB VAL 6 HB VAL 6 -0.405 -2.062 -17.889 57 HG11 VAL 6 HG11 VAL 6 -2.930 -3.649 -18.524 58 HG12 VAL 6 HG12 VAL 6 -2.692 -1.917 -18.861 59 HG13 VAL 6 HG13 VAL 6 -1.683 -3.099 -19.677 60 HG21 VAL 6 HG21 VAL 6 -1.210 -1.947 -15.600 61 HG22 VAL 6 HG22 VAL 6 -2.531 -1.363 -16.613 62 HG23 VAL 6 HG23 VAL 6 -2.590 -3.014 -15.972 63 H ILE 7 H ILE 7 -1.233 -5.711 -19.190 64 HA ILE 7 HA ILE 7 1.352 -5.443 -20.690 65 HB ILE 7 HB ILE 7 -0.231 -8.005 -20.352 66 HG12 ILE 7 HG12 ILE 7 2.047 -8.696 -19.189 67 HG13 ILE 7 HG13 ILE 7 2.186 -6.973 -18.847 68 HG21 ILE 7 HG21 ILE 7 2.387 -7.366 -21.769 69 HG22 ILE 7 HG22 ILE 7 1.842 -9.006 -21.378 70 HG23 ILE 7 HG23 ILE 7 0.883 -8.012 -22.457 71 HD11 ILE 7 HD11 ILE 7 0.210 -7.021 -17.484 72 HD12 ILE 7 HD12 ILE 7 -0.234 -8.656 -18.046 73 HD13 ILE 7 HD13 ILE 7 1.198 -8.414 -17.026 74 H VAL 8 H VAL 8 1.231 -5.075 -22.865 75 HA VAL 8 HA VAL 8 -1.365 -4.841 -24.177 76 HB VAL 8 HB VAL 8 1.379 -4.835 -25.495 77 HG11 VAL 8 HG11 VAL 8 -1.331 -3.722 -26.367 78 HG12 VAL 8 HG12 VAL 8 0.197 -3.602 -27.276 79 HG13 VAL 8 HG13 VAL 8 -0.579 -5.179 -27.015 80 HG21 VAL 8 HG21 VAL 8 1.313 -3.026 -23.836 81 HG22 VAL 8 HG22 VAL 8 1.174 -2.369 -25.469 82 HG23 VAL 8 HG23 VAL 8 -0.271 -2.499 -24.437 83 H GLY 9 H GLY 9 -2.518 -6.672 -24.548 84 HA2 GLY 9 HA2 GLY 9 -1.604 -8.815 -26.213 85 HA3 GLY 9 HA3 GLY 9 -1.605 -9.312 -24.519 86 HA PRO 10 HA PRO 10 -2.390 -11.392 -25.532 87 HB2 PRO 10 HB2 PRO 10 -3.780 -13.164 -27.045 88 HB3 PRO 10 HB3 PRO 10 -4.219 -12.794 -25.351 89 HG2 PRO 10 HG2 PRO 10 -5.425 -11.588 -27.867 90 HG3 PRO 10 HG3 PRO 10 -6.285 -12.334 -26.476 91 HD2 PRO 10 HD2 PRO 10 -5.909 -9.641 -26.625 92 HD3 PRO 10 HD3 PRO 10 -5.817 -10.512 -25.069 93 H SER 11 H SER 11 -3.520 -9.522 -28.198 94 HA SER 11 HA SER 11 -1.835 -10.939 -30.174 95 HB2 SER 11 HB2 SER 11 -3.917 -8.779 -30.598 96 HB3 SER 11 HB3 SER 11 -3.163 -9.797 -31.834 97 HG SER 11 HG SER 11 -5.217 -10.573 -31.164 98 H GLY 12 H GLY 12 -1.115 -8.370 -28.233 99 HA2 GLY 12 HA2 GLY 12 0.356 -6.842 -30.359 100 HA3 GLY 12 HA3 GLY 12 -0.287 -6.152 -28.885 101 H ALA 13 H ALA 13 1.193 -9.108 -28.166 102 HA ALA 13 HA ALA 13 3.973 -8.267 -28.274 103 HB1 ALA 13 HB1 ALA 13 2.774 -8.778 -25.512 104 HB2 ALA 13 HB2 ALA 13 4.477 -8.462 -25.890 105 HB3 ALA 13 HB3 ALA 13 3.275 -7.191 -26.141 106 H GLY 14 H GLY 14 1.687 -10.680 -26.908 107 HA2 GLY 14 HA2 GLY 14 2.046 -12.720 -28.621 108 HA3 GLY 14 HA3 GLY 14 3.430 -12.978 -27.571 109 H LYS 15 H LYS 15 1.171 -14.655 -28.080 110 HA LYS 15 HA LYS 15 -0.755 -14.776 -26.032 111 HB2 LYS 15 HB2 LYS 15 -1.062 -17.121 -26.798 112 HB3 LYS 15 HB3 LYS 15 -0.999 -15.940 -28.101 113 HG2 LYS 15 HG2 LYS 15 1.431 -16.575 -28.490 114 HG3 LYS 15 HG3 LYS 15 1.261 -17.804 -27.237 115 HD2 LYS 15 HD2 LYS 15 1.095 -18.782 -29.420 116 HD3 LYS 15 HD3 LYS 15 -0.475 -18.930 -28.600 117 HE2 LYS 15 HE2 LYS 15 -1.318 -16.987 -29.924 118 HE3 LYS 15 HE3 LYS 15 0.258 -16.824 -30.687 119 HZ1 LYS 15 HZ1 LYS 15 -1.513 -19.187 -30.943 120 HZ2 LYS 15 HZ2 LYS 15 -1.274 -18.057 -32.097 121 HZ3 LYS 15 HZ3 LYS 15 -0.051 -19.040 -31.650 122 H THR 16 H THR 16 2.568 -15.660 -25.711 123 HA THR 16 HA THR 16 1.984 -17.085 -23.127 124 HB THR 16 HB THR 16 4.357 -17.473 -24.973 125 HG1 THR 16 HG1 THR 16 3.293 -19.405 -25.473 126 HG21 THR 16 HG21 THR 16 3.365 -19.074 -22.572 127 HG22 THR 16 HG22 THR 16 4.647 -19.595 -23.682 128 HG23 THR 16 HG23 THR 16 4.891 -18.168 -22.672 129 H THR 17 H THR 17 3.951 -14.454 -24.552 130 HA THR 17 HA THR 17 5.690 -14.175 -22.303 131 HB THR 17 HB THR 17 6.069 -13.099 -24.489 132 HG1 THR 17 HG1 THR 17 7.233 -12.337 -22.796 133 HG21 THR 17 HG21 THR 17 3.686 -12.191 -24.734 134 HG22 THR 17 HG22 THR 17 4.146 -10.926 -23.579 135 HG23 THR 17 HG23 THR 17 5.007 -11.060 -25.125 136 H LEU 18 H LEU 18 2.523 -12.564 -22.967 137 HA LEU 18 HA LEU 18 2.280 -11.186 -20.510 138 HB2 LEU 18 HB2 LEU 18 -0.061 -11.001 -21.052 139 HB3 LEU 18 HB3 LEU 18 0.912 -10.818 -22.501 140 HG LEU 18 HG LEU 18 0.395 -13.394 -22.881 141 HD11 LEU 18 HD11 LEU 18 -0.883 -13.869 -20.786 142 HD12 LEU 18 HD12 LEU 18 -2.004 -12.553 -21.183 143 HD13 LEU 18 HD13 LEU 18 -1.911 -13.985 -22.219 144 HD21 LEU 18 HD21 LEU 18 -0.339 -11.471 -24.284 145 HD22 LEU 18 HD22 LEU 18 -1.502 -12.797 -24.192 146 HD23 LEU 18 HD23 LEU 18 -1.781 -11.306 -23.245 147 H ASP 19 H ASP 19 2.176 -14.511 -21.083 148 HA ASP 19 HA ASP 19 0.334 -15.269 -18.891 149 HB2 ASP 19 HB2 ASP 19 0.811 -16.393 -21.206 150 HB3 ASP 19 HB3 ASP 19 2.173 -17.150 -20.397 151 H GLU 20 H GLU 20 3.721 -16.024 -19.774 152 HA GLU 20 HA GLU 20 4.477 -16.878 -17.204 153 HB2 GLU 20 HB2 GLU 20 6.742 -16.799 -17.927 154 HB3 GLU 20 HB3 GLU 20 5.750 -17.338 -19.288 155 HG2 GLU 20 HG2 GLU 20 5.907 -15.152 -20.338 156 HG3 GLU 20 HG3 GLU 20 6.778 -14.501 -18.947 157 H LEU 21 H LEU 21 4.178 -13.687 -18.588 158 HA LEU 21 HA LEU 21 5.506 -12.201 -16.455 159 HB2 LEU 21 HB2 LEU 21 3.650 -11.562 -18.728 160 HB3 LEU 21 HB3 LEU 21 3.725 -10.422 -17.431 161 HG LEU 21 HG LEU 21 5.213 -10.143 -19.507 162 HD11 LEU 21 HD11 LEU 21 6.434 -9.831 -16.723 163 HD12 LEU 21 HD12 LEU 21 6.850 -8.875 -18.171 164 HD13 LEU 21 HD13 LEU 21 5.243 -8.736 -17.439 165 HD21 LEU 21 HD21 LEU 21 7.530 -10.888 -19.341 166 HD22 LEU 21 HD22 LEU 21 7.168 -11.859 -17.899 167 HD23 LEU 21 HD23 LEU 21 6.475 -12.293 -19.480 168 H ALA 22 H ALA 22 1.922 -12.691 -17.059 169 HA ALA 22 HA ALA 22 1.128 -11.672 -14.579 170 HB1 ALA 22 HB1 ALA 22 -0.173 -13.850 -16.271 171 HB2 ALA 22 HB2 ALA 22 -0.971 -12.891 -15.007 172 HB3 ALA 22 HB3 ALA 22 -0.386 -12.097 -16.477 173 H ARG 23 H ARG 23 2.086 -14.995 -15.343 174 HA ARG 23 HA ARG 23 1.637 -16.212 -12.800 175 HB2 ARG 23 HB2 ARG 23 3.576 -16.788 -15.073 176 HB3 ARG 23 HB3 ARG 23 3.490 -17.798 -13.622 177 HG2 ARG 23 HG2 ARG 23 1.346 -18.589 -14.098 178 HG3 ARG 23 HG3 ARG 23 0.926 -17.205 -15.099 179 HD2 ARG 23 HD2 ARG 23 1.161 -19.230 -16.422 180 HD3 ARG 23 HD3 ARG 23 2.294 -17.975 -16.927 181 HE ARG 23 HE ARG 23 3.601 -19.720 -15.080 182 HH11 ARG 23 HH11 ARG 23 2.319 -19.743 -18.356 183 HH12 ARG 23 HH12 ARG 23 3.503 -20.887 -18.921 184 HH21 ARG 23 HH21 ARG 23 5.131 -21.170 -15.885 185 HH22 ARG 23 HH22 ARG 23 5.061 -21.669 -17.557 186 H LYS 24 H LYS 24 4.792 -15.004 -14.078 187 HA LYS 24 HA LYS 24 6.146 -15.330 -11.587 188 HB2 LYS 24 HB2 LYS 24 6.831 -13.703 -14.062 189 HB3 LYS 24 HB3 LYS 24 7.866 -13.750 -12.627 190 HG2 LYS 24 HG2 LYS 24 8.022 -16.178 -12.709 191 HG3 LYS 24 HG3 LYS 24 6.971 -16.256 -14.119 192 HD2 LYS 24 HD2 LYS 24 9.626 -14.762 -14.116 193 HD3 LYS 24 HD3 LYS 24 9.471 -16.476 -14.517 194 HE2 LYS 24 HE2 LYS 24 7.864 -15.931 -16.317 195 HE3 LYS 24 HE3 LYS 24 8.058 -14.214 -15.987 196 HZ1 LYS 24 HZ1 LYS 24 10.309 -15.988 -16.762 197 HZ2 LYS 24 HZ2 LYS 24 9.477 -15.121 -17.832 198 HZ3 LYS 24 HZ3 LYS 24 10.354 -14.358 -16.674 199 H ALA 25 H ALA 25 4.704 -12.352 -12.958 200 HA ALA 25 HA ALA 25 5.282 -10.597 -10.754 201 HB1 ALA 25 HB1 ALA 25 2.913 -10.565 -12.656 202 HB2 ALA 25 HB2 ALA 25 3.496 -9.225 -11.641 203 HB3 ALA 25 HB3 ALA 25 4.501 -9.824 -12.967 204 H LYS 26 H LYS 26 2.003 -12.260 -11.262 205 HA LYS 26 HA LYS 26 1.204 -11.560 -8.704 206 HB2 LYS 26 HB2 LYS 26 -0.194 -12.578 -10.613 207 HB3 LYS 26 HB3 LYS 26 0.332 -14.150 -10.012 208 HG2 LYS 26 HG2 LYS 26 -1.669 -13.871 -8.850 209 HG3 LYS 26 HG3 LYS 26 -0.533 -13.235 -7.673 210 HD2 LYS 26 HD2 LYS 26 -1.088 -10.910 -8.946 211 HD3 LYS 26 HD3 LYS 26 -2.565 -11.816 -9.367 212 HE2 LYS 26 HE2 LYS 26 -2.403 -12.470 -6.760 213 HE3 LYS 26 HE3 LYS 26 -1.421 -10.998 -6.715 214 HZ1 LYS 26 HZ1 LYS 26 -4.233 -11.113 -7.673 215 HZ2 LYS 26 HZ2 LYS 26 -3.753 -10.551 -6.209 216 HZ3 LYS 26 HZ3 LYS 26 -3.296 -9.768 -7.555 217 H GLU 27 H GLU 27 3.256 -14.391 -9.537 218 HA GLU 27 HA GLU 27 3.246 -15.582 -6.931 219 HB2 GLU 27 HB2 GLU 27 5.159 -15.661 -9.267 220 HB3 GLU 27 HB3 GLU 27 5.623 -16.336 -7.716 221 HG2 GLU 27 HG2 GLU 27 3.601 -17.779 -7.717 222 HG3 GLU 27 HG3 GLU 27 3.116 -17.120 -9.269 223 H GLU 28 H GLU 28 5.573 -13.130 -8.257 224 HA GLU 28 HA GLU 28 6.811 -12.827 -5.615 225 HB2 GLU 28 HB2 GLU 28 8.203 -11.143 -6.555 226 HB3 GLU 28 HB3 GLU 28 8.180 -12.555 -7.595 227 HG2 GLU 28 HG2 GLU 28 6.799 -11.417 -9.233 228 HG3 GLU 28 HG3 GLU 28 6.481 -10.088 -8.159 229 H VAL 29 H VAL 29 4.139 -11.310 -7.170 230 HA VAL 29 HA VAL 29 3.698 -9.486 -4.870 231 HB VAL 29 HB VAL 29 2.943 -7.708 -6.293 232 HG11 VAL 29 HG11 VAL 29 5.064 -6.835 -6.961 233 HG12 VAL 29 HG12 VAL 29 5.308 -7.789 -5.474 234 HG13 VAL 29 HG13 VAL 29 5.764 -8.447 -7.078 235 HG21 VAL 29 HG21 VAL 29 2.575 -9.176 -8.416 236 HG22 VAL 29 HG22 VAL 29 3.288 -7.550 -8.632 237 HG23 VAL 29 HG23 VAL 29 4.316 -8.997 -8.666 238 HA PRO 30 HA PRO 30 -0.021 -12.122 -5.596 239 HB2 PRO 30 HB2 PRO 30 -0.363 -12.827 -2.964 240 HB3 PRO 30 HB3 PRO 30 0.695 -13.723 -4.107 241 HG2 PRO 30 HG2 PRO 30 1.453 -11.594 -2.083 242 HG3 PRO 30 HG3 PRO 30 2.255 -13.172 -2.375 243 HD2 PRO 30 HD2 PRO 30 3.187 -10.834 -3.461 244 HD3 PRO 30 HD3 PRO 30 3.243 -12.368 -4.388 245 H ASP 31 H ASP 31 0.718 -9.281 -3.932 246 HA ASP 31 HA ASP 31 -2.025 -8.588 -3.051 247 HB2 ASP 31 HB2 ASP 31 0.214 -8.010 -1.917 248 HB3 ASP 31 HB3 ASP 31 0.494 -6.885 -3.224 249 H ALA 32 H ALA 32 0.040 -8.232 -5.805 250 HA ALA 32 HA ALA 32 -1.005 -5.732 -6.787 251 HB1 ALA 32 HB1 ALA 32 0.734 -7.836 -8.130 252 HB2 ALA 32 HB2 ALA 32 0.565 -6.164 -8.669 253 HB3 ALA 32 HB3 ALA 32 1.338 -6.511 -7.100 254 H GLU 33 H GLU 33 -1.778 -5.419 -9.056 255 HA GLU 33 HA GLU 33 -3.643 -7.650 -9.848 256 HB2 GLU 33 HB2 GLU 33 -4.117 -4.868 -10.824 257 HB3 GLU 33 HB3 GLU 33 -5.234 -6.191 -10.605 258 HG2 GLU 33 HG2 GLU 33 -3.957 -4.641 -8.316 259 HG3 GLU 33 HG3 GLU 33 -5.439 -4.177 -9.106 260 H ILE 34 H ILE 34 -2.790 -8.808 -11.434 261 HA ILE 34 HA ILE 34 -1.374 -7.392 -13.586 262 HB ILE 34 HB ILE 34 -1.490 -10.378 -13.353 263 HG12 ILE 34 HG12 ILE 34 -1.003 -9.857 -11.080 264 HG13 ILE 34 HG13 ILE 34 0.405 -10.480 -11.860 265 HG21 ILE 34 HG21 ILE 34 -0.276 -9.956 -15.205 266 HG22 ILE 34 HG22 ILE 34 0.135 -8.321 -14.752 267 HG23 ILE 34 HG23 ILE 34 1.058 -9.656 -14.060 268 HD11 ILE 34 HD11 ILE 34 1.444 -8.286 -11.953 269 HD12 ILE 34 HD12 ILE 34 -0.005 -7.508 -11.268 270 HD13 ILE 34 HD13 ILE 34 0.921 -8.661 -10.298 271 H ARG 35 H ARG 35 -2.319 -6.990 -15.451 272 HA ARG 35 HA ARG 35 -4.360 -8.803 -16.592 273 HB2 ARG 35 HB2 ARG 35 -5.972 -6.983 -17.043 274 HB3 ARG 35 HB3 ARG 35 -5.860 -7.344 -15.344 275 HG2 ARG 35 HG2 ARG 35 -4.360 -5.011 -16.587 276 HG3 ARG 35 HG3 ARG 35 -6.014 -4.968 -15.969 277 HD2 ARG 35 HD2 ARG 35 -4.821 -6.127 -13.838 278 HD3 ARG 35 HD3 ARG 35 -3.449 -5.275 -14.451 279 HE ARG 35 HE ARG 35 -4.858 -3.146 -14.234 280 HH11 ARG 35 HH11 ARG 35 -6.425 -5.987 -12.787 281 HH12 ARG 35 HH12 ARG 35 -7.605 -4.919 -12.039 282 HH21 ARG 35 HH21 ARG 35 -6.497 -2.026 -13.219 283 HH22 ARG 35 HH22 ARG 35 -7.568 -2.952 -12.175 284 H THR 36 H THR 36 -5.158 -8.057 -18.776 285 HA THR 36 HA THR 36 -2.978 -6.675 -20.262 286 HB THR 36 HB THR 36 -3.063 -8.219 -22.045 287 HG1 THR 36 HG1 THR 36 -5.073 -8.843 -22.358 288 HG21 THR 36 HG21 THR 36 -1.945 -9.071 -19.830 289 HG22 THR 36 HG22 THR 36 -3.337 -10.148 -19.722 290 HG23 THR 36 HG23 THR 36 -2.267 -10.224 -21.136 291 H VAL 37 H VAL 37 -3.471 -5.825 -22.330 292 HA VAL 37 HA VAL 37 -6.297 -5.074 -22.920 293 HB VAL 37 HB VAL 37 -6.156 -2.949 -22.662 294 HG11 VAL 37 HG11 VAL 37 -4.738 -1.959 -21.029 295 HG12 VAL 37 HG12 VAL 37 -5.436 -3.509 -20.506 296 HG13 VAL 37 HG13 VAL 37 -3.702 -3.405 -21.004 297 HG21 VAL 37 HG21 VAL 37 -4.999 -2.303 -24.403 298 HG22 VAL 37 HG22 VAL 37 -4.201 -1.488 -23.058 299 HG23 VAL 37 HG23 VAL 37 -3.397 -2.889 -23.785 300 H THR 38 H THR 38 -6.708 -4.550 -24.906 301 HA THR 38 HA THR 38 -4.572 -5.075 -26.984 302 HB THR 38 HB THR 38 -6.049 -7.017 -26.551 303 HG1 THR 38 HG1 THR 38 -6.383 -7.434 -28.740 304 HG21 THR 38 HG21 THR 38 -8.221 -5.456 -28.001 305 HG22 THR 38 HG22 THR 38 -8.333 -7.061 -27.240 306 HG23 THR 38 HG23 THR 38 -8.139 -5.608 -26.241 307 H THR 39 H THR 39 -7.152 -3.044 -26.042 308 HA THR 39 HA THR 39 -6.854 -1.214 -28.361 309 HB THR 39 HB THR 39 -9.468 -1.082 -28.265 310 HG1 THR 39 HG1 THR 39 -10.369 -3.105 -27.686 311 HG21 THR 39 HG21 THR 39 -9.807 -2.830 -29.885 312 HG22 THR 39 HG22 THR 39 -8.270 -2.014 -30.209 313 HG23 THR 39 HG23 THR 39 -8.283 -3.626 -29.436 314 H LYS 40 H LYS 40 -8.017 0.814 -28.034 315 HA LYS 40 HA LYS 40 -7.187 2.146 -25.746 316 HB2 LYS 40 HB2 LYS 40 -8.390 4.011 -26.473 317 HB3 LYS 40 HB3 LYS 40 -7.811 3.194 -27.920 318 HG2 LYS 40 HG2 LYS 40 -10.661 3.173 -26.819 319 HG3 LYS 40 HG3 LYS 40 -10.047 4.199 -28.100 320 HD2 LYS 40 HD2 LYS 40 -9.619 2.175 -29.517 321 HD3 LYS 40 HD3 LYS 40 -10.318 1.168 -28.239 322 HE2 LYS 40 HE2 LYS 40 -12.026 1.495 -29.832 323 HE3 LYS 40 HE3 LYS 40 -12.451 2.453 -28.419 324 HZ1 LYS 40 HZ1 LYS 40 -11.619 4.423 -29.593 325 HZ2 LYS 40 HZ2 LYS 40 -11.213 3.524 -30.900 326 HZ3 LYS 40 HZ3 LYS 40 -12.777 3.700 -30.480 327 H GLU 41 H GLU 41 -10.128 0.351 -26.206 328 HA GLU 41 HA GLU 41 -11.545 1.460 -23.912 329 HB2 GLU 41 HB2 GLU 41 -13.162 -0.335 -24.314 330 HB3 GLU 41 HB3 GLU 41 -12.791 0.591 -25.770 331 HG2 GLU 41 HG2 GLU 41 -11.378 -1.160 -26.636 332 HG3 GLU 41 HG3 GLU 41 -11.596 -2.148 -25.185 333 H ASP 42 H ASP 42 -9.654 -1.519 -24.510 334 HA ASP 42 HA ASP 42 -9.990 -2.549 -21.813 335 HB2 ASP 42 HB2 ASP 42 -8.071 -3.166 -24.057 336 HB3 ASP 42 HB3 ASP 42 -7.971 -3.894 -22.492 337 H ALA 43 H ALA 43 -7.553 -0.487 -23.344 338 HA ALA 43 HA ALA 43 -5.877 -0.259 -21.010 339 HB1 ALA 43 HB1 ALA 43 -6.432 1.465 -23.447 340 HB2 ALA 43 HB2 ALA 43 -5.219 1.892 -22.192 341 HB3 ALA 43 HB3 ALA 43 -5.067 0.374 -23.097 342 H LYS 44 H LYS 44 -8.682 1.623 -22.131 343 HA LYS 44 HA LYS 44 -8.694 3.456 -19.940 344 HB2 LYS 44 HB2 LYS 44 -9.904 3.940 -21.972 345 HB3 LYS 44 HB3 LYS 44 -11.026 2.593 -21.688 346 HG2 LYS 44 HG2 LYS 44 -12.051 3.646 -19.865 347 HG3 LYS 44 HG3 LYS 44 -10.624 4.611 -19.479 348 HD2 LYS 44 HD2 LYS 44 -11.012 5.940 -21.568 349 HD3 LYS 44 HD3 LYS 44 -12.590 5.145 -21.720 350 HE2 LYS 44 HE2 LYS 44 -11.567 6.704 -19.295 351 HE3 LYS 44 HE3 LYS 44 -12.616 7.391 -20.527 352 HZ1 LYS 44 HZ1 LYS 44 -13.922 6.669 -18.635 353 HZ2 LYS 44 HZ2 LYS 44 -14.307 5.718 -19.897 354 HZ3 LYS 44 HZ3 LYS 44 -13.346 5.155 -18.705 355 H ARG 45 H ARG 45 -10.371 0.379 -20.362 356 HA ARG 45 HA ARG 45 -11.802 0.118 -17.925 357 HB2 ARG 45 HB2 ARG 45 -12.258 -1.224 -19.811 358 HB3 ARG 45 HB3 ARG 45 -10.584 -1.720 -19.970 359 HG2 ARG 45 HG2 ARG 45 -10.846 -3.128 -17.899 360 HG3 ARG 45 HG3 ARG 45 -12.586 -2.749 -17.941 361 HD2 ARG 45 HD2 ARG 45 -12.709 -3.655 -20.251 362 HD3 ARG 45 HD3 ARG 45 -10.960 -3.911 -20.252 363 HE ARG 45 HE ARG 45 -12.241 -5.311 -18.072 364 HH11 ARG 45 HH11 ARG 45 -11.536 -5.635 -21.527 365 HH12 ARG 45 HH12 ARG 45 -11.730 -7.362 -21.471 366 HH21 ARG 45 HH21 ARG 45 -12.419 -7.527 -18.108 367 HH22 ARG 45 HH22 ARG 45 -12.198 -8.400 -19.597 368 H VAL 46 H VAL 46 -8.600 -1.371 -18.677 369 HA VAL 46 HA VAL 46 -8.245 -2.327 -16.018 370 HB VAL 46 HB VAL 46 -5.972 -2.731 -16.534 371 HG11 VAL 46 HG11 VAL 46 -6.232 -4.292 -18.384 372 HG12 VAL 46 HG12 VAL 46 -7.719 -4.279 -17.406 373 HG13 VAL 46 HG13 VAL 46 -7.675 -3.448 -18.966 374 HG21 VAL 46 HG21 VAL 46 -6.244 -1.161 -19.078 375 HG22 VAL 46 HG22 VAL 46 -5.229 -0.790 -17.666 376 HG23 VAL 46 HG23 VAL 46 -4.889 -2.237 -18.615 377 H ALA 47 H ALA 47 -7.255 0.755 -17.476 378 HA ALA 47 HA ALA 47 -5.832 1.598 -15.108 379 HB1 ALA 47 HB1 ALA 47 -6.910 3.326 -17.368 380 HB2 ALA 47 HB2 ALA 47 -5.506 3.616 -16.285 381 HB3 ALA 47 HB3 ALA 47 -5.469 2.346 -17.530 382 H GLU 48 H GLU 48 -9.067 2.608 -16.431 383 HA GLU 48 HA GLU 48 -9.787 4.195 -14.195 384 HB2 GLU 48 HB2 GLU 48 -11.935 4.268 -15.042 385 HB3 GLU 48 HB3 GLU 48 -10.894 4.160 -16.463 386 HG2 GLU 48 HG2 GLU 48 -11.321 1.643 -16.428 387 HG3 GLU 48 HG3 GLU 48 -12.459 1.890 -15.151 388 H GLU 49 H GLU 49 -9.526 0.746 -14.456 389 HA GLU 49 HA GLU 49 -11.016 0.235 -11.960 390 HB2 GLU 49 HB2 GLU 49 -10.239 -1.533 -13.963 391 HB3 GLU 49 HB3 GLU 49 -8.883 -1.648 -12.911 392 HG2 GLU 49 HG2 GLU 49 -10.645 -1.928 -10.963 393 HG3 GLU 49 HG3 GLU 49 -11.774 -2.287 -12.262 394 H ALA 50 H ALA 50 -7.558 0.360 -12.943 395 HA ALA 50 HA ALA 50 -6.377 -0.156 -10.421 396 HB1 ALA 50 HB1 ALA 50 -5.429 1.511 -12.762 397 HB2 ALA 50 HB2 ALA 50 -4.411 1.046 -11.393 398 HB3 ALA 50 HB3 ALA 50 -5.085 -0.219 -12.464 399 H GLU 51 H GLU 51 -7.722 2.907 -11.648 400 HA GLU 51 HA GLU 51 -6.545 4.403 -9.405 401 HB2 GLU 51 HB2 GLU 51 -7.642 6.323 -10.284 402 HB3 GLU 51 HB3 GLU 51 -6.958 5.366 -11.620 403 HG2 GLU 51 HG2 GLU 51 -8.884 5.283 -12.657 404 HG3 GLU 51 HG3 GLU 51 -9.683 4.536 -11.278 405 H ARG 52 H ARG 52 -9.175 2.412 -9.668 406 HA ARG 52 HA ARG 52 -10.811 3.636 -7.507 407 HB2 ARG 52 HB2 ARG 52 -11.132 0.787 -8.466 408 HB3 ARG 52 HB3 ARG 52 -12.326 1.848 -7.727 409 HG2 ARG 52 HG2 ARG 52 -11.126 2.016 -10.486 410 HG3 ARG 52 HG3 ARG 52 -12.782 1.567 -10.120 411 HD2 ARG 52 HD2 ARG 52 -11.541 4.327 -9.689 412 HD3 ARG 52 HD3 ARG 52 -12.621 3.888 -11.011 413 HE ARG 52 HE ARG 52 -14.109 3.279 -8.771 414 HH11 ARG 52 HH11 ARG 52 -12.514 6.237 -9.882 415 HH12 ARG 52 HH12 ARG 52 -13.735 7.245 -9.165 416 HH21 ARG 52 HH21 ARG 52 -15.581 4.658 -7.858 417 HH22 ARG 52 HH22 ARG 52 -15.397 6.386 -8.026 418 H ARG 53 H ARG 53 -8.492 1.062 -7.858 419 HA ARG 53 HA ARG 53 -8.446 0.536 -4.929 420 HB2 ARG 53 HB2 ARG 53 -7.250 -1.523 -5.525 421 HB3 ARG 53 HB3 ARG 53 -8.809 -1.418 -6.323 422 HG2 ARG 53 HG2 ARG 53 -6.844 -0.253 -8.098 423 HG3 ARG 53 HG3 ARG 53 -6.161 -1.747 -7.479 424 HD2 ARG 53 HD2 ARG 53 -8.913 -1.536 -8.765 425 HD3 ARG 53 HD3 ARG 53 -7.445 -2.093 -9.589 426 HE ARG 53 HE ARG 53 -7.353 -3.921 -7.811 427 HH11 ARG 53 HH11 ARG 53 -10.512 -2.675 -8.752 428 HH12 ARG 53 HH12 ARG 53 -11.294 -4.165 -8.242 429 HH21 ARG 53 HH21 ARG 53 -8.325 -5.611 -7.250 430 HH22 ARG 53 HH22 ARG 53 -10.066 -5.842 -7.383 431 H ASN 54 H ASN 54 -6.822 2.325 -7.146 432 HA ASN 54 HA ASN 54 -5.184 3.874 -6.869 433 HB2 ASN 54 HB2 ASN 54 -5.810 3.082 -4.064 434 HB3 ASN 54 HB3 ASN 54 -4.462 4.194 -4.371 435 HD21 ASN 54 HD21 ASN 54 -8.367 5.221 -5.262 436 HD22 ASN 54 HD22 ASN 54 -7.939 3.582 -4.803 437 H ALA 55 H ALA 55 -4.215 2.100 -8.130 438 HA ALA 55 HA ALA 55 -2.046 0.538 -7.163 439 HB1 ALA 55 HB1 ALA 55 -2.515 1.638 -9.952 440 HB2 ALA 55 HB2 ALA 55 -1.502 0.248 -9.482 441 HB3 ALA 55 HB3 ALA 55 -3.279 0.203 -9.230 442 H ASP 56 H ASP 56 -0.711 1.804 -5.809 443 HA ASP 56 HA ASP 56 0.459 4.242 -6.324 444 HB2 ASP 56 HB2 ASP 56 0.708 2.304 -4.357 445 HB3 ASP 56 HB3 ASP 56 2.325 2.335 -5.036 446 H ILE 57 H ILE 57 1.527 1.101 -7.548 447 HA ILE 57 HA ILE 57 3.326 2.499 -9.475 448 HB ILE 57 HB ILE 57 4.074 -0.263 -8.522 449 HG12 ILE 57 HG12 ILE 57 4.675 2.258 -6.947 450 HG13 ILE 57 HG13 ILE 57 3.797 0.841 -6.382 451 HG21 ILE 57 HG21 ILE 57 5.161 0.885 -10.487 452 HG22 ILE 57 HG22 ILE 57 5.728 2.152 -9.382 453 HG23 ILE 57 HG23 ILE 57 6.294 0.477 -9.214 454 HD11 ILE 57 HD11 ILE 57 6.761 0.961 -6.988 455 HD12 ILE 57 HD12 ILE 57 5.965 0.780 -5.414 456 HD13 ILE 57 HD13 ILE 57 5.863 -0.529 -6.601 457 H VAL 58 H VAL 58 2.870 2.085 -11.519 458 HA VAL 58 HA VAL 58 1.370 -0.356 -12.342 459 HB VAL 58 HB VAL 58 0.579 1.388 -14.201 460 HG11 VAL 58 HG11 VAL 58 -0.643 1.026 -11.470 461 HG12 VAL 58 HG12 VAL 58 -1.488 1.711 -12.889 462 HG13 VAL 58 HG13 VAL 58 -0.919 0.047 -12.944 463 HG21 VAL 58 HG21 VAL 58 1.813 3.293 -12.995 464 HG22 VAL 58 HG22 VAL 58 0.099 3.548 -13.356 465 HG23 VAL 58 HG23 VAL 58 0.658 3.140 -11.693 466 H VAL 59 H VAL 59 3.029 -1.537 -12.936 467 HA VAL 59 HA VAL 59 5.075 -0.641 -14.864 468 HB VAL 59 HB VAL 59 4.475 -3.419 -13.768 469 HG11 VAL 59 HG11 VAL 59 6.775 -3.942 -14.458 470 HG12 VAL 59 HG12 VAL 59 5.837 -3.432 -15.853 471 HG13 VAL 59 HG13 VAL 59 6.978 -2.290 -15.087 472 HG21 VAL 59 HG21 VAL 59 6.314 -3.133 -12.215 473 HG22 VAL 59 HG22 VAL 59 6.623 -1.488 -12.795 474 HG23 VAL 59 HG23 VAL 59 5.124 -1.862 -11.914 475 H ILE 60 H ILE 60 4.186 -0.201 -16.882 476 HA ILE 60 HA ILE 60 2.207 -2.034 -18.037 477 HB ILE 60 HB ILE 60 3.678 0.175 -19.438 478 HG12 ILE 60 HG12 ILE 60 2.664 1.212 -17.344 479 HG13 ILE 60 HG13 ILE 60 2.198 1.900 -18.873 480 HG21 ILE 60 HG21 ILE 60 1.023 -1.216 -19.900 481 HG22 ILE 60 HG22 ILE 60 1.474 0.296 -20.702 482 HG23 ILE 60 HG23 ILE 60 2.454 -1.165 -20.946 483 HD11 ILE 60 HD11 ILE 60 0.543 0.019 -17.162 484 HD12 ILE 60 HD12 ILE 60 0.311 1.771 -17.408 485 HD13 ILE 60 HD13 ILE 60 0.044 0.667 -18.757 486 H VAL 61 H VAL 61 2.745 -3.491 -19.672 487 HA VAL 61 HA VAL 61 5.599 -3.903 -20.464 488 HB VAL 61 HB VAL 61 3.488 -6.030 -20.211 489 HG11 VAL 61 HG11 VAL 61 5.363 -6.601 -21.677 490 HG12 VAL 61 HG12 VAL 61 6.517 -6.191 -20.385 491 HG13 VAL 61 HG13 VAL 61 5.407 -7.566 -20.202 492 HG21 VAL 61 HG21 VAL 61 5.595 -5.323 -18.106 493 HG22 VAL 61 HG22 VAL 61 3.838 -5.140 -17.928 494 HG23 VAL 61 HG23 VAL 61 4.529 -6.746 -18.099 495 H GLY 62 H GLY 62 5.913 -3.628 -22.629 496 HA2 GLY 62 HA2 GLY 62 3.798 -4.413 -24.568 497 HA3 GLY 62 HA3 GLY 62 4.328 -2.733 -24.543 498 HA PRO 63 HA PRO 63 7.014 -5.301 -27.408 499 HB2 PRO 63 HB2 PRO 63 6.381 -4.094 -29.782 500 HB3 PRO 63 HB3 PRO 63 5.468 -5.465 -29.088 501 HG2 PRO 63 HG2 PRO 63 4.775 -2.528 -28.997 502 HG3 PRO 63 HG3 PRO 63 3.696 -3.918 -29.325 503 HD2 PRO 63 HD2 PRO 63 3.872 -2.741 -26.831 504 HD3 PRO 63 HD3 PRO 63 3.586 -4.488 -27.045 505 H SER 64 H SER 64 6.450 -1.987 -28.578 506 HA SER 64 HA SER 64 8.724 -0.701 -27.384 507 HB2 SER 64 HB2 SER 64 9.957 -2.061 -29.044 508 HB3 SER 64 HB3 SER 64 8.980 -1.366 -30.350 509 HG SER 64 HG SER 64 11.022 -0.303 -29.993 510 H GLY 65 H GLY 65 8.767 1.559 -27.917 511 HA2 GLY 65 HA2 GLY 65 6.088 2.614 -28.564 512 HA3 GLY 65 HA3 GLY 65 7.422 3.478 -27.815 513 H SER 66 H SER 66 5.777 2.771 -30.729 514 HA SER 66 HA SER 66 7.187 4.900 -32.194 515 HB2 SER 66 HB2 SER 66 8.617 2.890 -32.575 516 HB3 SER 66 HB3 SER 66 7.232 2.068 -33.307 517 HG SER 66 HG SER 66 8.590 3.075 -34.850 518 H GLY 67 H GLY 67 4.686 2.368 -32.237 519 HA2 GLY 67 HA2 GLY 67 2.738 4.103 -33.686 520 HA3 GLY 67 HA3 GLY 67 3.267 2.583 -34.483 521 H LYS 68 H LYS 68 3.405 0.737 -32.962 522 HA LYS 68 HA LYS 68 0.809 -0.170 -32.871 523 HB2 LYS 68 HB2 LYS 68 2.797 -1.548 -33.186 524 HB3 LYS 68 HB3 LYS 68 3.419 -1.171 -31.586 525 HG2 LYS 68 HG2 LYS 68 2.413 -3.466 -31.882 526 HG3 LYS 68 HG3 LYS 68 1.786 -2.544 -30.508 527 HD2 LYS 68 HD2 LYS 68 -0.223 -1.996 -31.601 528 HD3 LYS 68 HD3 LYS 68 0.431 -2.343 -33.188 529 HE2 LYS 68 HE2 LYS 68 0.524 -4.804 -32.494 530 HE3 LYS 68 HE3 LYS 68 -0.167 -4.349 -30.940 531 HZ1 LYS 68 HZ1 LYS 68 -1.515 -4.009 -33.562 532 HZ2 LYS 68 HZ2 LYS 68 -1.870 -5.165 -32.479 533 HZ3 LYS 68 HZ3 LYS 68 -2.172 -3.604 -32.118 534 H SER 69 H SER 69 2.823 0.383 -30.066 535 HA SER 69 HA SER 69 0.853 -0.536 -28.276 536 HB2 SER 69 HB2 SER 69 2.637 -0.086 -26.562 537 HB3 SER 69 HB3 SER 69 3.168 -1.009 -27.975 538 HG SER 69 HG SER 69 4.609 0.712 -27.395 539 H THR 70 H THR 70 -0.163 1.993 -29.488 540 HA THR 70 HA THR 70 -0.170 4.196 -27.751 541 HB THR 70 HB THR 70 -2.785 3.284 -28.879 542 HG1 THR 70 HG1 THR 70 -2.134 4.005 -30.915 543 HG21 THR 70 HG21 THR 70 -1.318 5.958 -28.959 544 HG22 THR 70 HG22 THR 70 -2.994 5.656 -29.473 545 HG23 THR 70 HG23 THR 70 -2.551 5.506 -27.765 546 H LEU 71 H LEU 71 -2.009 1.152 -27.425 547 HA LEU 71 HA LEU 71 -3.717 1.827 -25.327 548 HB2 LEU 71 HB2 LEU 71 -2.385 -0.876 -25.498 549 HB3 LEU 71 HB3 LEU 71 -4.015 -0.438 -25.029 550 HG LEU 71 HG LEU 71 -4.416 -1.465 -26.976 551 HD11 LEU 71 HD11 LEU 71 -3.950 1.256 -28.260 552 HD12 LEU 71 HD12 LEU 71 -5.130 0.035 -28.669 553 HD13 LEU 71 HD13 LEU 71 -5.279 0.922 -27.125 554 HD21 LEU 71 HD21 LEU 71 -3.133 -1.498 -28.986 555 HD22 LEU 71 HD22 LEU 71 -2.005 -0.264 -28.402 556 HD23 LEU 71 HD23 LEU 71 -2.072 -1.868 -27.628 557 H ALA 72 H ALA 72 -0.289 1.018 -25.151 558 HA ALA 72 HA ALA 72 -0.093 0.756 -22.288 559 HB1 ALA 72 HB1 ALA 72 1.556 -0.228 -23.869 560 HB2 ALA 72 HB2 ALA 72 2.050 1.403 -24.368 561 HB3 ALA 72 HB3 ALA 72 2.341 0.863 -22.720 562 H LYS 73 H LYS 73 0.604 3.526 -24.540 563 HA LYS 73 HA LYS 73 1.065 5.343 -22.333 564 HB2 LYS 73 HB2 LYS 73 1.068 7.164 -23.870 565 HB3 LYS 73 HB3 LYS 73 2.104 5.872 -24.439 566 HG2 LYS 73 HG2 LYS 73 0.887 5.494 -26.312 567 HG3 LYS 73 HG3 LYS 73 -0.671 5.846 -25.530 568 HD2 LYS 73 HD2 LYS 73 1.228 8.091 -26.150 569 HD3 LYS 73 HD3 LYS 73 0.107 7.429 -27.360 570 HE2 LYS 73 HE2 LYS 73 -1.801 7.782 -25.804 571 HE3 LYS 73 HE3 LYS 73 -0.724 8.481 -24.612 572 HZ1 LYS 73 HZ1 LYS 73 -1.811 10.204 -25.945 573 HZ2 LYS 73 HZ2 LYS 73 -0.206 10.259 -26.222 574 HZ3 LYS 73 HZ3 LYS 73 -1.200 9.592 -27.324 575 H ILE 74 H ILE 74 -1.909 4.388 -23.992 576 HA ILE 74 HA ILE 74 -3.572 6.457 -22.926 577 HB ILE 74 HB ILE 74 -4.196 3.617 -23.820 578 HG12 ILE 74 HG12 ILE 74 -5.014 6.252 -25.106 579 HG13 ILE 74 HG13 ILE 74 -3.479 5.513 -25.479 580 HG21 ILE 74 HG21 ILE 74 -6.177 5.783 -22.970 581 HG22 ILE 74 HG22 ILE 74 -6.610 4.256 -23.758 582 HG23 ILE 74 HG23 ILE 74 -5.918 4.239 -22.143 583 HD11 ILE 74 HD11 ILE 74 -5.122 4.920 -27.182 584 HD12 ILE 74 HD12 ILE 74 -4.676 3.446 -26.310 585 HD13 ILE 74 HD13 ILE 74 -6.210 4.243 -25.967 586 H VAL 75 H VAL 75 -2.897 3.115 -21.620 587 HA VAL 75 HA VAL 75 -4.206 3.483 -19.118 588 HB VAL 75 HB VAL 75 -1.715 1.877 -19.831 589 HG11 VAL 75 HG11 VAL 75 -1.892 2.217 -17.321 590 HG12 VAL 75 HG12 VAL 75 -3.519 1.514 -17.375 591 HG13 VAL 75 HG13 VAL 75 -2.113 0.531 -17.810 592 HG21 VAL 75 HG21 VAL 75 -3.189 -0.085 -19.792 593 HG22 VAL 75 HG22 VAL 75 -4.593 0.993 -19.553 594 HG23 VAL 75 HG23 VAL 75 -3.607 1.048 -21.048 595 H LYS 76 H LYS 76 -0.761 4.135 -19.977 596 HA LYS 76 HA LYS 76 -0.018 5.231 -17.461 597 HB2 LYS 76 HB2 LYS 76 1.634 4.592 -19.061 598 HB3 LYS 76 HB3 LYS 76 1.037 5.743 -20.256 599 HG2 LYS 76 HG2 LYS 76 1.933 7.590 -19.205 600 HG3 LYS 76 HG3 LYS 76 1.919 6.873 -17.605 601 HD2 LYS 76 HD2 LYS 76 4.167 7.321 -18.733 602 HD3 LYS 76 HD3 LYS 76 3.945 5.784 -17.898 603 HE2 LYS 76 HE2 LYS 76 3.861 4.523 -19.825 604 HE3 LYS 76 HE3 LYS 76 3.420 5.889 -20.851 605 HZ1 LYS 76 HZ1 LYS 76 6.098 5.483 -19.637 606 HZ2 LYS 76 HZ2 LYS 76 5.686 5.309 -21.212 607 HZ3 LYS 76 HZ3 LYS 76 5.662 6.782 -20.541 608 H LYS 77 H LYS 77 -1.683 6.865 -20.124 609 HA LYS 77 HA LYS 77 -1.546 9.480 -18.810 610 HB2 LYS 77 HB2 LYS 77 -3.118 8.380 -21.164 611 HB3 LYS 77 HB3 LYS 77 -3.482 9.964 -20.513 612 HG2 LYS 77 HG2 LYS 77 -0.674 9.211 -21.402 613 HG3 LYS 77 HG3 LYS 77 -1.880 9.910 -22.482 614 HD2 LYS 77 HD2 LYS 77 -2.098 11.881 -21.009 615 HD3 LYS 77 HD3 LYS 77 -0.862 11.247 -19.928 616 HE2 LYS 77 HE2 LYS 77 -0.415 11.864 -22.886 617 HE3 LYS 77 HE3 LYS 77 -0.111 13.004 -21.581 618 HZ1 LYS 77 HZ1 LYS 77 1.519 11.459 -20.660 619 HZ2 LYS 77 HZ2 LYS 77 1.259 10.388 -21.872 620 HZ3 LYS 77 HZ3 LYS 77 1.918 11.843 -22.183 621 H ILE 78 H ILE 78 -3.934 6.844 -18.726 622 HA ILE 78 HA ILE 78 -5.805 8.357 -17.103 623 HB ILE 78 HB ILE 78 -5.490 5.372 -17.406 624 HG12 ILE 78 HG12 ILE 78 -6.668 7.443 -19.105 625 HG13 ILE 78 HG13 ILE 78 -6.220 5.777 -19.429 626 HG21 ILE 78 HG21 ILE 78 -7.779 5.253 -16.400 627 HG22 ILE 78 HG22 ILE 78 -6.594 5.877 -15.271 628 HG23 ILE 78 HG23 ILE 78 -7.709 7.001 -16.083 629 HD11 ILE 78 HD11 ILE 78 -8.862 6.722 -18.265 630 HD12 ILE 78 HD12 ILE 78 -8.562 6.103 -19.898 631 HD13 ILE 78 HD13 ILE 78 -8.412 5.018 -18.495 632 H ILE 79 H ILE 79 -3.001 6.270 -16.199 633 HA ILE 79 HA ILE 79 -3.699 6.680 -13.373 634 HB ILE 79 HB ILE 79 -1.423 5.059 -14.520 635 HG12 ILE 79 HG12 ILE 79 -3.537 4.146 -15.335 636 HG13 ILE 79 HG13 ILE 79 -2.831 3.100 -14.125 637 HG21 ILE 79 HG21 ILE 79 -2.588 5.474 -11.752 638 HG22 ILE 79 HG22 ILE 79 -1.858 3.917 -12.158 639 HG23 ILE 79 HG23 ILE 79 -0.899 5.402 -12.301 640 HD11 ILE 79 HD11 ILE 79 -5.139 5.057 -13.609 641 HD12 ILE 79 HD12 ILE 79 -5.258 3.313 -13.853 642 HD13 ILE 79 HD13 ILE 79 -4.433 3.947 -12.411 643 H ALA 80 H ALA 80 -1.312 8.051 -15.590 644 HA ALA 80 HA ALA 80 0.464 9.043 -13.712 645 HB1 ALA 80 HB1 ALA 80 -0.471 10.332 -16.314 646 HB2 ALA 80 HB2 ALA 80 0.953 10.840 -15.375 647 HB3 ALA 80 HB3 ALA 80 0.904 9.219 -16.088 648 H ARG 81 H ARG 81 -2.690 10.302 -14.696 649 HA ARG 81 HA ARG 81 -2.639 12.680 -12.964 650 HB2 ARG 81 HB2 ARG 81 -4.879 13.100 -13.869 651 HB3 ARG 81 HB3 ARG 81 -3.710 12.802 -15.147 652 HG2 ARG 81 HG2 ARG 81 -5.424 11.507 -15.940 653 HG3 ARG 81 HG3 ARG 81 -4.543 10.316 -14.974 654 HD2 ARG 81 HD2 ARG 81 -6.888 10.009 -14.699 655 HD3 ARG 81 HD3 ARG 81 -6.177 10.490 -13.176 656 HE ARG 81 HE ARG 81 -7.145 12.822 -14.556 657 HH11 ARG 81 HH11 ARG 81 -8.475 10.026 -12.863 658 HH12 ARG 81 HH12 ARG 81 -9.907 10.897 -12.397 659 HH21 ARG 81 HH21 ARG 81 -9.005 13.860 -13.890 660 HH22 ARG 81 HH22 ARG 81 -10.176 12.998 -12.930 661 H ALA 82 H ALA 82 -3.712 9.352 -12.734 662 HA ALA 82 HA ALA 82 -5.725 9.695 -10.740 663 HB1 ALA 82 HB1 ALA 82 -3.906 7.300 -11.213 664 HB2 ALA 82 HB2 ALA 82 -5.462 7.282 -10.385 665 HB3 ALA 82 HB3 ALA 82 -5.410 7.632 -12.124 666 H GLY 83 H GLY 83 -2.282 9.712 -10.585 667 HA2 GLY 83 HA2 GLY 83 -1.407 11.009 -8.637 668 HA3 GLY 83 HA3 GLY 83 -2.401 9.985 -7.595 669 H ALA 84 H ALA 84 -0.695 8.369 -10.179 670 HA ALA 84 HA ALA 84 1.248 7.207 -8.212 671 HB1 ALA 84 HB1 ALA 84 0.754 5.080 -9.479 672 HB2 ALA 84 HB2 ALA 84 -0.627 5.728 -8.547 673 HB3 ALA 84 HB3 ALA 84 -0.539 5.952 -10.305 674 H LYS 85 H LYS 85 2.765 5.665 -9.595 675 HA LYS 85 HA LYS 85 3.854 7.217 -11.906 676 HB2 LYS 85 HB2 LYS 85 6.073 6.394 -11.344 677 HB3 LYS 85 HB3 LYS 85 5.377 7.335 -10.020 678 HG2 LYS 85 HG2 LYS 85 4.731 5.230 -8.866 679 HG3 LYS 85 HG3 LYS 85 5.347 4.290 -10.182 680 HD2 LYS 85 HD2 LYS 85 6.907 4.451 -8.188 681 HD3 LYS 85 HD3 LYS 85 7.622 4.875 -9.731 682 HE2 LYS 85 HE2 LYS 85 8.469 6.393 -8.103 683 HE3 LYS 85 HE3 LYS 85 7.459 7.265 -9.237 684 HZ1 LYS 85 HZ1 LYS 85 7.010 7.988 -7.012 685 HZ2 LYS 85 HZ2 LYS 85 5.674 7.204 -7.517 686 HZ3 LYS 85 HZ3 LYS 85 6.729 6.500 -6.460 687 H THR 86 H THR 86 4.022 6.312 -13.683 688 HA THR 86 HA THR 86 3.548 3.402 -14.033 689 HB THR 86 HB THR 86 2.781 5.457 -16.127 690 HG1 THR 86 HG1 THR 86 1.009 6.145 -15.139 691 HG21 THR 86 HG21 THR 86 1.741 2.782 -15.426 692 HG22 THR 86 HG22 THR 86 0.560 3.970 -15.958 693 HG23 THR 86 HG23 THR 86 1.963 3.587 -16.989 694 H ILE 87 H ILE 87 4.701 2.261 -15.481 695 HA ILE 87 HA ILE 87 6.775 3.698 -17.102 696 HB ILE 87 HB ILE 87 8.414 1.906 -16.382 697 HG12 ILE 87 HG12 ILE 87 6.809 0.379 -15.359 698 HG13 ILE 87 HG13 ILE 87 8.265 0.734 -14.411 699 HG21 ILE 87 HG21 ILE 87 7.612 4.024 -14.397 700 HG22 ILE 87 HG22 ILE 87 9.157 3.127 -14.436 701 HG23 ILE 87 HG23 ILE 87 8.702 4.185 -15.784 702 HD11 ILE 87 HD11 ILE 87 6.522 2.488 -13.268 703 HD12 ILE 87 HD12 ILE 87 5.407 1.246 -13.856 704 HD13 ILE 87 HD13 ILE 87 6.702 0.774 -12.747 705 H GLU 88 H GLU 88 7.925 2.200 -18.590 706 HA GLU 88 HA GLU 88 6.042 0.163 -19.731 707 HB2 GLU 88 HB2 GLU 88 7.363 2.482 -21.178 708 HB3 GLU 88 HB3 GLU 88 6.833 1.023 -22.014 709 HG2 GLU 88 HG2 GLU 88 4.523 1.359 -21.299 710 HG3 GLU 88 HG3 GLU 88 4.994 2.815 -20.419 711 H VAL 89 H VAL 89 7.237 -1.578 -19.090 712 HA VAL 89 HA VAL 89 10.077 -1.844 -19.864 713 HB VAL 89 HB VAL 89 10.247 -3.640 -18.536 714 HG11 VAL 89 HG11 VAL 89 8.879 -3.496 -16.488 715 HG12 VAL 89 HG12 VAL 89 9.397 -1.884 -17.025 716 HG13 VAL 89 HG13 VAL 89 7.733 -2.439 -17.306 717 HG21 VAL 89 HG21 VAL 89 8.770 -5.174 -19.684 718 HG22 VAL 89 HG22 VAL 89 8.412 -5.244 -17.956 719 HG23 VAL 89 HG23 VAL 89 7.342 -4.327 -19.040 720 H THR 90 H THR 90 10.774 -3.449 -21.472 721 HA THR 90 HA THR 90 8.675 -4.219 -23.462 722 HB THR 90 HB THR 90 10.473 -3.634 -25.208 723 HG1 THR 90 HG1 THR 90 11.881 -2.011 -24.548 724 HG21 THR 90 HG21 THR 90 9.187 -1.322 -23.715 725 HG22 THR 90 HG22 THR 90 9.790 -1.333 -25.395 726 HG23 THR 90 HG23 THR 90 8.408 -2.332 -24.958 727 H THR 91 H THR 91 9.524 -5.681 -25.200 728 HA THR 91 HA THR 91 10.724 -8.062 -24.072 729 HB THR 91 HB THR 91 10.421 -8.939 -26.404 730 HG1 THR 91 HG1 THR 91 10.571 -7.083 -27.602 731 HG21 THR 91 HG21 THR 91 7.959 -7.538 -25.265 732 HG22 THR 91 HG22 THR 91 7.995 -8.938 -26.357 733 HG23 THR 91 HG23 THR 91 8.610 -9.092 -24.701 734 H GLU 92 H GLU 92 12.606 -6.126 -23.713 735 HA GLU 92 HA GLU 92 14.932 -6.956 -25.315 736 HB2 GLU 92 HB2 GLU 92 13.482 -4.454 -25.794 737 HB3 GLU 92 HB3 GLU 92 15.085 -4.088 -25.196 738 HG2 GLU 92 HG2 GLU 92 14.593 -6.006 -27.503 739 HG3 GLU 92 HG3 GLU 92 14.771 -4.271 -27.713 740 H GLU 93 H GLU 93 16.957 -5.851 -24.405 741 HA GLU 93 HA GLU 93 17.234 -6.257 -21.613 742 HB2 GLU 93 HB2 GLU 93 18.920 -4.596 -23.528 743 HB3 GLU 93 HB3 GLU 93 19.381 -4.979 -21.866 744 HG2 GLU 93 HG2 GLU 93 19.219 -7.415 -22.410 745 HG3 GLU 93 HG3 GLU 93 18.930 -6.998 -24.094 746 H GLU 94 H GLU 94 16.057 -3.409 -23.235 747 HA GLU 94 HA GLU 94 16.355 -1.446 -21.172 748 HB2 GLU 94 HB2 GLU 94 14.234 -1.794 -23.323 749 HB3 GLU 94 HB3 GLU 94 14.431 -0.351 -22.319 750 HG2 GLU 94 HG2 GLU 94 16.766 -0.096 -23.193 751 HG3 GLU 94 HG3 GLU 94 16.492 -1.459 -24.273 752 H LEU 95 H LEU 95 14.320 -4.267 -21.222 753 HA LEU 95 HA LEU 95 12.218 -3.624 -19.498 754 HB2 LEU 95 HB2 LEU 95 12.642 -5.786 -20.631 755 HB3 LEU 95 HB3 LEU 95 13.969 -6.140 -19.554 756 HG LEU 95 HG LEU 95 11.137 -5.700 -18.509 757 HD11 LEU 95 HD11 LEU 95 12.374 -8.313 -19.465 758 HD12 LEU 95 HD12 LEU 95 10.805 -8.136 -18.640 759 HD13 LEU 95 HD13 LEU 95 11.037 -7.438 -20.245 760 HD21 LEU 95 HD21 LEU 95 12.872 -5.823 -16.741 761 HD22 LEU 95 HD22 LEU 95 11.881 -7.280 -16.727 762 HD23 LEU 95 HD23 LEU 95 13.494 -7.335 -17.448 763 H ARG 96 H ARG 96 15.589 -4.446 -18.643 764 HA ARG 96 HA ARG 96 15.268 -4.405 -15.798 765 HB2 ARG 96 HB2 ARG 96 17.796 -3.710 -17.359 766 HB3 ARG 96 HB3 ARG 96 17.695 -4.290 -15.702 767 HG2 ARG 96 HG2 ARG 96 17.058 -5.859 -18.236 768 HG3 ARG 96 HG3 ARG 96 18.463 -6.046 -17.198 769 HD2 ARG 96 HD2 ARG 96 16.988 -6.811 -15.339 770 HD3 ARG 96 HD3 ARG 96 15.579 -6.600 -16.372 771 HE ARG 96 HE ARG 96 16.085 -8.525 -17.557 772 HH11 ARG 96 HH11 ARG 96 18.798 -7.881 -15.425 773 HH12 ARG 96 HH12 ARG 96 19.557 -9.414 -15.794 774 HH21 ARG 96 HH21 ARG 96 17.098 -10.449 -17.965 775 HH22 ARG 96 HH22 ARG 96 18.610 -10.830 -17.181 776 H LYS 97 H LYS 97 16.266 -1.834 -18.015 777 HA LYS 97 HA LYS 97 16.631 0.238 -16.040 778 HB2 LYS 97 HB2 LYS 97 15.991 0.409 -19.019 779 HB3 LYS 97 HB3 LYS 97 16.476 1.770 -18.003 780 HG2 LYS 97 HG2 LYS 97 18.632 0.649 -17.512 781 HG3 LYS 97 HG3 LYS 97 18.174 -0.701 -18.564 782 HD2 LYS 97 HD2 LYS 97 17.951 0.887 -20.478 783 HD3 LYS 97 HD3 LYS 97 18.496 2.209 -19.444 784 HE2 LYS 97 HE2 LYS 97 20.098 -0.310 -20.070 785 HE3 LYS 97 HE3 LYS 97 20.262 1.211 -20.936 786 HZ1 LYS 97 HZ1 LYS 97 21.943 1.053 -19.227 787 HZ2 LYS 97 HZ2 LYS 97 20.932 2.263 -18.831 788 HZ3 LYS 97 HZ3 LYS 97 20.839 0.827 -18.053 789 H ALA 98 H ALA 98 13.807 -0.524 -18.133 790 HA ALA 98 HA ALA 98 12.111 1.540 -17.188 791 HB1 ALA 98 HB1 ALA 98 10.317 0.118 -18.079 792 HB2 ALA 98 HB2 ALA 98 11.687 0.180 -19.217 793 HB3 ALA 98 HB3 ALA 98 11.436 -1.252 -18.174 794 H VAL 99 H VAL 99 12.290 -1.884 -16.090 795 HA VAL 99 HA VAL 99 10.412 -1.674 -14.002 796 HB VAL 99 HB VAL 99 12.915 -3.414 -14.234 797 HG11 VAL 99 HG11 VAL 99 10.640 -3.707 -12.234 798 HG12 VAL 99 HG12 VAL 99 11.936 -4.886 -12.514 799 HG13 VAL 99 HG13 VAL 99 12.332 -3.303 -11.848 800 HG21 VAL 99 HG21 VAL 99 11.359 -5.209 -14.801 801 HG22 VAL 99 HG22 VAL 99 9.965 -4.138 -14.548 802 HG23 VAL 99 HG23 VAL 99 11.073 -3.854 -15.901 803 H ALA 100 H ALA 100 13.970 -1.199 -13.895 804 HA ALA 100 HA ALA 100 14.147 -0.523 -11.164 805 HB1 ALA 100 HB1 ALA 100 15.903 0.420 -13.472 806 HB2 ALA 100 HB2 ALA 100 16.334 0.474 -11.752 807 HB3 ALA 100 HB3 ALA 100 16.094 -1.087 -12.553 808 H LYS 101 H LYS 101 13.473 1.628 -13.927 809 HA LYS 101 HA LYS 101 13.695 4.122 -12.794 810 HB2 LYS 101 HB2 LYS 101 13.236 3.386 -15.226 811 HB3 LYS 101 HB3 LYS 101 11.539 3.310 -14.790 812 HG2 LYS 101 HG2 LYS 101 12.045 5.375 -15.941 813 HG3 LYS 101 HG3 LYS 101 11.572 5.755 -14.287 814 HD2 LYS 101 HD2 LYS 101 13.977 6.060 -13.681 815 HD3 LYS 101 HD3 LYS 101 14.448 5.506 -15.290 816 HE2 LYS 101 HE2 LYS 101 14.640 7.880 -15.291 817 HE3 LYS 101 HE3 LYS 101 13.247 7.478 -16.281 818 HZ1 LYS 101 HZ1 LYS 101 13.112 8.397 -13.459 819 HZ2 LYS 101 HZ2 LYS 101 12.781 9.320 -14.755 820 HZ3 LYS 101 HZ3 LYS 101 11.817 8.052 -14.383 821 H ALA 102 H ALA 102 11.050 1.900 -12.212 822 HA ALA 102 HA ALA 102 9.919 3.877 -10.246 823 HB1 ALA 102 HB1 ALA 102 7.678 2.925 -10.957 824 HB2 ALA 102 HB2 ALA 102 8.513 3.936 -12.167 825 HB3 ALA 102 HB3 ALA 102 8.569 2.146 -12.286 826 H ARG 103 H ARG 103 9.641 0.343 -11.142 827 HA ARG 103 HA ARG 103 8.676 -0.410 -8.540 828 HB2 ARG 103 HB2 ARG 103 8.286 -1.758 -10.511 829 HB3 ARG 103 HB3 ARG 103 10.018 -2.095 -10.683 830 HG2 ARG 103 HG2 ARG 103 10.070 -3.503 -8.819 831 HG3 ARG 103 HG3 ARG 103 8.660 -2.744 -8.068 832 HD2 ARG 103 HD2 ARG 103 7.157 -3.789 -9.621 833 HD3 ARG 103 HD3 ARG 103 8.503 -4.388 -10.600 834 HE ARG 103 HE ARG 103 8.648 -6.227 -9.247 835 HH11 ARG 103 HH11 ARG 103 7.120 -3.808 -7.211 836 HH12 ARG 103 HH12 ARG 103 7.095 -4.893 -5.835 837 HH21 ARG 103 HH21 ARG 103 8.441 -7.544 -7.556 838 HH22 ARG 103 HH22 ARG 103 7.833 -6.956 -6.029 839 H GLY 104 H GLY 104 11.860 0.177 -9.737 840 HA2 GLY 104 HA2 GLY 104 13.205 -0.728 -7.215 841 HA3 GLY 104 HA3 GLY 104 14.003 0.090 -8.567 842 H SER 105 H SER 105 12.767 2.318 -9.031 843 HA SER 105 HA SER 105 13.975 4.059 -7.245 844 HB2 SER 105 HB2 SER 105 13.322 4.577 -9.572 845 HB3 SER 105 HB3 SER 105 11.627 4.708 -9.049 846 HG SER 105 HG SER 105 12.734 6.736 -9.119 847 H TRP 106 H TRP 106 10.488 3.177 -7.268 848 HA TRP 106 HA TRP 106 9.448 4.918 -5.405 849 HB2 TRP 106 HB2 TRP 106 8.303 3.141 -6.802 850 HB3 TRP 106 HB3 TRP 106 8.784 1.957 -5.615 851 HD1 TRP 106 HD1 TRP 106 6.010 4.276 -6.380 852 HE1 TRP 106 HE1 TRP 106 4.436 4.613 -4.447 853 HE3 TRP 106 HE3 TRP 106 8.581 1.682 -2.799 854 HZ2 TRP 106 HZ2 TRP 106 4.467 4.192 -1.548 855 HZ3 TRP 106 HZ3 TRP 106 7.785 1.643 -0.484 856 HH2 TRP 106 HH2 TRP 106 5.762 2.954 0.188 857 H SER 107 H SER 107 10.986 1.770 -4.585 858 HA SER 107 HA SER 107 10.671 2.168 -1.723 859 HB2 SER 107 HB2 SER 107 12.298 0.172 -3.331 860 HB3 SER 107 HB3 SER 107 12.046 0.091 -1.574 861 HG SER 107 HG SER 107 10.551 -1.204 -2.712 862 H LEU 108 H LEU 108 12.848 3.415 -3.977 863 HA LEU 108 HA LEU 108 15.078 3.816 -2.109 864 HB2 LEU 108 HB2 LEU 108 14.663 3.480 -5.039 865 HB3 LEU 108 HB3 LEU 108 15.635 4.891 -4.660 866 HG LEU 108 HG LEU 108 17.211 3.472 -3.393 867 HD11 LEU 108 HD11 LEU 108 15.716 1.664 -2.601 868 HD12 LEU 108 HD12 LEU 108 15.432 1.154 -4.285 869 HD13 LEU 108 HD13 LEU 108 17.042 0.993 -3.547 870 HD21 LEU 108 HD21 LEU 108 16.513 2.397 -6.157 871 HD22 LEU 108 HD22 LEU 108 17.496 3.841 -5.821 872 HD23 LEU 108 HD23 LEU 108 18.095 2.243 -5.350 873 H GLU 109 H GLU 109 12.386 5.541 -3.543 874 HA GLU 109 HA GLU 109 13.444 8.220 -3.036 875 HB2 GLU 109 HB2 GLU 109 10.567 7.392 -3.583 876 HB3 GLU 109 HB3 GLU 109 11.261 9.007 -3.687 877 HG2 GLU 109 HG2 GLU 109 12.851 7.673 -5.485 878 HG3 GLU 109 HG3 GLU 109 11.348 6.758 -5.618 879 H HIS 110 H HIS 110 10.782 6.286 -1.593 880 HA HIS 110 HA HIS 110 10.039 8.314 0.278 881 HB2 HIS 110 HB2 HIS 110 8.358 6.838 0.956 882 HB3 HIS 110 HB3 HIS 110 8.632 6.360 -0.716 883 HD2 HIS 110 HD2 HIS 110 10.717 4.230 -0.761 884 HE1 HIS 110 HE1 HIS 110 9.240 2.507 2.846 885 HE2 HIS 110 HE2 HIS 110 10.759 2.133 0.838 886 H HIS 111 H HIS 111 12.515 5.976 0.468 887 HA HIS 111 HA HIS 111 12.361 5.402 3.313 888 HB2 HIS 111 HB2 HIS 111 13.167 3.970 1.249 889 HB3 HIS 111 HB3 HIS 111 14.732 4.689 1.608 890 HD2 HIS 111 HD2 HIS 111 14.121 1.583 1.842 891 HE1 HIS 111 HE1 HIS 111 14.173 2.093 6.069 892 HE2 HIS 111 HE2 HIS 111 14.344 0.399 4.187 893 H HIS 112 H HIS 112 14.301 5.530 4.709 894 HA HIS 112 HA HIS 112 15.504 8.202 4.875 895 HB2 HIS 112 HB2 HIS 112 14.744 6.749 6.842 896 HB3 HIS 112 HB3 HIS 112 16.126 5.714 6.515 897 HD2 HIS 112 HD2 HIS 112 15.309 9.417 7.445 898 HE1 HIS 112 HE1 HIS 112 19.213 8.592 8.937 899 HE2 HIS 112 HE2 HIS 112 17.351 10.317 8.845 900 H HIS 113 H HIS 113 18.002 8.231 5.283 901 HA HIS 113 HA HIS 113 19.293 7.564 2.830 902 HB2 HIS 113 HB2 HIS 113 20.023 9.429 4.232 903 HB3 HIS 113 HB3 HIS 113 20.491 8.315 5.521 904 HD2 HIS 113 HD2 HIS 113 21.386 8.935 1.758 905 HE1 HIS 113 HE1 HIS 113 24.834 7.269 3.614 906 HE2 HIS 113 HE2 HIS 113 23.875 8.164 1.438 907 H HIS 114 H HIS 114 20.258 5.829 2.098 908 HA HIS 114 HA HIS 114 21.479 3.799 3.896 909 HB2 HIS 114 HB2 HIS 114 19.069 3.201 3.400 910 HB3 HIS 114 HB3 HIS 114 19.495 3.112 1.696 911 HD2 HIS 114 HD2 HIS 114 20.787 1.514 5.041 912 HE1 HIS 114 HE1 HIS 114 20.821 -1.525 2.056 913 HE2 HIS 114 HE2 HIS 114 21.278 -1.018 4.503 914 H HIS 115 H HIS 115 21.747 5.707 1.133 915 HA HIS 115 HA HIS 115 24.134 4.315 0.120 916 HB2 HIS 115 HB2 HIS 115 22.296 3.233 -1.114 917 HB3 HIS 115 HB3 HIS 115 21.653 4.800 -1.586 918 HD2 HIS 115 HD2 HIS 115 22.538 5.816 -3.793 919 HE1 HIS 115 HE1 HIS 115 25.823 3.207 -4.523 920 HE2 HIS 115 HE2 HIS 115 24.434 5.103 -5.480 Start of MODEL 12 1 H1 MET 1 H1 MET 1 3.095 -1.717 -0.629 2 H2 MET 1 H2 MET 1 1.591 -1.552 -0.006 3 H3 MET 1 H3 MET 1 2.781 -0.509 0.435 4 HA MET 1 HA MET 1 1.266 0.538 -1.125 5 HB2 MET 1 HB2 MET 1 2.856 1.538 -2.512 6 HB3 MET 1 HB3 MET 1 3.691 1.161 -1.026 7 HG2 MET 1 HG2 MET 1 3.912 -0.374 -3.657 8 HG3 MET 1 HG3 MET 1 5.067 0.783 -3.041 9 HE1 MET 1 HE1 MET 1 7.046 -0.809 -3.446 10 HE2 MET 1 HE2 MET 1 7.097 -2.498 -2.896 11 HE3 MET 1 HE3 MET 1 5.910 -1.999 -4.123 12 H ARG 2 H ARG 2 0.040 0.445 -3.029 13 HA ARG 2 HA ARG 2 -0.326 -2.257 -3.941 14 HB2 ARG 2 HB2 ARG 2 -2.238 -0.542 -3.645 15 HB3 ARG 2 HB3 ARG 2 -1.721 0.138 -5.172 16 HG2 ARG 2 HG2 ARG 2 -2.029 -2.014 -6.328 17 HG3 ARG 2 HG3 ARG 2 -2.329 -2.860 -4.806 18 HD2 ARG 2 HD2 ARG 2 -4.098 -0.749 -6.039 19 HD3 ARG 2 HD3 ARG 2 -4.376 -2.493 -6.151 20 HE ARG 2 HE ARG 2 -4.902 -0.727 -3.907 21 HH11 ARG 2 HH11 ARG 2 -4.948 -4.148 -4.818 22 HH12 ARG 2 HH12 ARG 2 -5.433 -4.620 -3.228 23 HH21 ARG 2 HH21 ARG 2 -5.626 -1.441 -1.956 24 HH22 ARG 2 HH22 ARG 2 -5.921 -3.140 -1.703 25 H VAL 3 H VAL 3 0.470 -3.348 -5.520 26 HA VAL 3 HA VAL 3 1.884 -1.898 -7.719 27 HB VAL 3 HB VAL 3 2.197 -4.730 -6.624 28 HG11 VAL 3 HG11 VAL 3 4.163 -4.897 -8.171 29 HG12 VAL 3 HG12 VAL 3 2.644 -4.820 -9.051 30 HG13 VAL 3 HG13 VAL 3 3.665 -3.373 -8.941 31 HG21 VAL 3 HG21 VAL 3 3.227 -2.980 -5.221 32 HG22 VAL 3 HG22 VAL 3 4.479 -3.936 -6.030 33 HG23 VAL 3 HG23 VAL 3 4.070 -2.324 -6.640 34 H ILE 4 H ILE 4 1.432 -2.260 -9.821 35 HA ILE 4 HA ILE 4 -0.630 -4.274 -10.598 36 HB ILE 4 HB ILE 4 -0.653 -1.331 -11.177 37 HG12 ILE 4 HG12 ILE 4 -2.399 -3.433 -9.850 38 HG13 ILE 4 HG13 ILE 4 -1.939 -1.859 -9.242 39 HG21 ILE 4 HG21 ILE 4 -2.175 -3.475 -12.687 40 HG22 ILE 4 HG22 ILE 4 -2.374 -1.699 -12.859 41 HG23 ILE 4 HG23 ILE 4 -0.867 -2.432 -13.337 42 HD11 ILE 4 HD11 ILE 4 -4.092 -2.543 -11.265 43 HD12 ILE 4 HD12 ILE 4 -4.268 -1.765 -9.670 44 HD13 ILE 4 HD13 ILE 4 -3.486 -0.891 -11.024 45 H VAL 5 H VAL 5 -0.285 -5.192 -12.511 46 HA VAL 5 HA VAL 5 1.936 -4.171 -14.193 47 HB VAL 5 HB VAL 5 1.469 -7.124 -13.755 48 HG11 VAL 5 HG11 VAL 5 3.668 -5.624 -15.253 49 HG12 VAL 5 HG12 VAL 5 3.541 -7.387 -15.057 50 HG13 VAL 5 HG13 VAL 5 2.341 -6.510 -16.015 51 HG21 VAL 5 HG21 VAL 5 3.740 -5.368 -12.713 52 HG22 VAL 5 HG22 VAL 5 2.522 -6.211 -11.732 53 HG23 VAL 5 HG23 VAL 5 3.685 -7.144 -12.662 54 H VAL 6 H VAL 6 1.081 -3.485 -16.013 55 HA VAL 6 HA VAL 6 -1.361 -4.868 -17.100 56 HB VAL 6 HB VAL 6 -0.426 -2.094 -17.860 57 HG11 VAL 6 HG11 VAL 6 -1.863 -3.126 -19.497 58 HG12 VAL 6 HG12 VAL 6 -3.007 -3.675 -18.237 59 HG13 VAL 6 HG13 VAL 6 -2.806 -1.941 -18.601 60 HG21 VAL 6 HG21 VAL 6 -2.337 -3.007 -15.678 61 HG22 VAL 6 HG22 VAL 6 -0.985 -1.854 -15.552 62 HG23 VAL 6 HG23 VAL 6 -2.450 -1.386 -16.416 63 H ILE 7 H ILE 7 -1.285 -5.728 -19.138 64 HA ILE 7 HA ILE 7 1.296 -5.443 -20.644 65 HB ILE 7 HB ILE 7 -0.245 -8.030 -20.280 66 HG12 ILE 7 HG12 ILE 7 2.042 -8.674 -19.126 67 HG13 ILE 7 HG13 ILE 7 2.155 -6.950 -18.783 68 HG21 ILE 7 HG21 ILE 7 0.815 -8.119 -22.356 69 HG22 ILE 7 HG22 ILE 7 2.276 -7.272 -21.789 70 HG23 ILE 7 HG23 ILE 7 1.958 -8.933 -21.284 71 HD11 ILE 7 HD11 ILE 7 1.142 -8.449 -16.961 72 HD12 ILE 7 HD12 ILE 7 0.178 -7.037 -17.414 73 HD13 ILE 7 HD13 ILE 7 -0.265 -8.657 -18.015 74 H VAL 8 H VAL 8 1.160 -5.023 -22.788 75 HA VAL 8 HA VAL 8 -1.436 -4.892 -24.121 76 HB VAL 8 HB VAL 8 1.304 -4.679 -25.431 77 HG11 VAL 8 HG11 VAL 8 -0.642 -5.062 -26.956 78 HG12 VAL 8 HG12 VAL 8 -1.463 -3.672 -26.232 79 HG13 VAL 8 HG13 VAL 8 0.043 -3.439 -27.157 80 HG21 VAL 8 HG21 VAL 8 0.956 -2.225 -25.292 81 HG22 VAL 8 HG22 VAL 8 -0.481 -2.486 -24.272 82 HG23 VAL 8 HG23 VAL 8 1.134 -2.944 -23.691 83 H GLY 9 H GLY 9 -2.466 -6.590 -24.848 84 HA2 GLY 9 HA2 GLY 9 -1.078 -8.977 -25.994 85 HA3 GLY 9 HA3 GLY 9 -2.097 -9.174 -24.572 86 HA PRO 10 HA PRO 10 -2.640 -11.268 -25.399 87 HB2 PRO 10 HB2 PRO 10 -3.720 -13.219 -26.975 88 HB3 PRO 10 HB3 PRO 10 -4.641 -12.391 -25.688 89 HG2 PRO 10 HG2 PRO 10 -4.624 -11.728 -28.647 90 HG3 PRO 10 HG3 PRO 10 -6.041 -11.995 -27.587 91 HD2 PRO 10 HD2 PRO 10 -5.147 -9.481 -28.092 92 HD3 PRO 10 HD3 PRO 10 -5.708 -9.934 -26.457 93 H SER 11 H SER 11 -2.241 -9.915 -28.535 94 HA SER 11 HA SER 11 0.234 -11.537 -29.018 95 HB2 SER 11 HB2 SER 11 -1.690 -10.512 -31.129 96 HB3 SER 11 HB3 SER 11 -0.238 -11.483 -31.394 97 HG SER 11 HG SER 11 -2.611 -12.255 -30.042 98 H GLY 12 H GLY 12 -0.646 -8.481 -28.190 99 HA2 GLY 12 HA2 GLY 12 0.704 -6.835 -30.120 100 HA3 GLY 12 HA3 GLY 12 0.147 -6.353 -28.522 101 H ALA 13 H ALA 13 2.000 -8.675 -27.506 102 HA ALA 13 HA ALA 13 4.697 -7.447 -27.941 103 HB1 ALA 13 HB1 ALA 13 3.793 -6.597 -25.806 104 HB2 ALA 13 HB2 ALA 13 3.539 -8.254 -25.234 105 HB3 ALA 13 HB3 ALA 13 5.186 -7.658 -25.546 106 H GLY 14 H GLY 14 2.868 -10.350 -26.881 107 HA2 GLY 14 HA2 GLY 14 4.018 -12.085 -28.683 108 HA3 GLY 14 HA3 GLY 14 5.039 -12.226 -27.249 109 H LYS 15 H LYS 15 3.600 -14.386 -28.239 110 HA LYS 15 HA LYS 15 1.025 -14.805 -27.033 111 HB2 LYS 15 HB2 LYS 15 3.109 -16.870 -27.870 112 HB3 LYS 15 HB3 LYS 15 1.401 -17.176 -27.606 113 HG2 LYS 15 HG2 LYS 15 2.563 -15.439 -29.827 114 HG3 LYS 15 HG3 LYS 15 1.966 -17.088 -29.977 115 HD2 LYS 15 HD2 LYS 15 -0.310 -16.320 -29.302 116 HD3 LYS 15 HD3 LYS 15 0.285 -14.650 -29.240 117 HE2 LYS 15 HE2 LYS 15 0.934 -14.772 -31.611 118 HE3 LYS 15 HE3 LYS 15 0.414 -16.454 -31.691 119 HZ1 LYS 15 HZ1 LYS 15 -1.379 -14.156 -31.160 120 HZ2 LYS 15 HZ2 LYS 15 -1.291 -14.980 -32.563 121 HZ3 LYS 15 HZ3 LYS 15 -1.861 -15.712 -31.228 122 H THR 16 H THR 16 4.281 -15.612 -25.884 123 HA THR 16 HA THR 16 3.172 -16.912 -23.460 124 HB THR 16 HB THR 16 6.063 -16.779 -24.360 125 HG1 THR 16 HG1 THR 16 5.631 -18.746 -25.338 126 HG21 THR 16 HG21 THR 16 4.548 -18.747 -22.581 127 HG22 THR 16 HG22 THR 16 6.225 -18.943 -23.134 128 HG23 THR 16 HG23 THR 16 5.808 -17.607 -22.056 129 H THR 17 H THR 17 4.954 -13.980 -24.287 130 HA THR 17 HA THR 17 6.194 -13.477 -21.811 131 HB THR 17 HB THR 17 6.695 -12.268 -23.868 132 HG1 THR 17 HG1 THR 17 7.125 -10.378 -22.806 133 HG21 THR 17 HG21 THR 17 4.356 -10.430 -23.265 134 HG22 THR 17 HG22 THR 17 5.425 -10.443 -24.691 135 HG23 THR 17 HG23 THR 17 4.234 -11.743 -24.445 136 H LEU 18 H LEU 18 2.939 -12.257 -22.801 137 HA LEU 18 HA LEU 18 2.301 -10.990 -20.345 138 HB2 LEU 18 HB2 LEU 18 0.056 -10.924 -21.185 139 HB3 LEU 18 HB3 LEU 18 1.177 -10.675 -22.507 140 HG LEU 18 HG LEU 18 0.844 -13.277 -22.944 141 HD11 LEU 18 HD11 LEU 18 -1.821 -12.532 -21.612 142 HD12 LEU 18 HD12 LEU 18 -1.460 -14.007 -22.529 143 HD13 LEU 18 HD13 LEU 18 -0.676 -13.732 -20.979 144 HD21 LEU 18 HD21 LEU 18 0.254 -11.466 -24.483 145 HD22 LEU 18 HD22 LEU 18 -1.020 -12.692 -24.445 146 HD23 LEU 18 HD23 LEU 18 -1.245 -11.160 -23.565 147 H ASP 19 H ASP 19 2.455 -14.274 -21.093 148 HA ASP 19 HA ASP 19 0.431 -15.243 -19.173 149 HB2 ASP 19 HB2 ASP 19 1.672 -16.231 -21.528 150 HB3 ASP 19 HB3 ASP 19 2.254 -17.267 -20.239 151 H GLU 20 H GLU 20 3.921 -15.871 -19.691 152 HA GLU 20 HA GLU 20 4.504 -16.747 -17.072 153 HB2 GLU 20 HB2 GLU 20 6.753 -16.609 -17.581 154 HB3 GLU 20 HB3 GLU 20 5.973 -16.997 -19.100 155 HG2 GLU 20 HG2 GLU 20 6.272 -14.754 -19.940 156 HG3 GLU 20 HG3 GLU 20 6.813 -14.160 -18.367 157 H LEU 21 H LEU 21 4.194 -13.474 -18.361 158 HA LEU 21 HA LEU 21 5.232 -12.082 -16.052 159 HB2 LEU 21 HB2 LEU 21 3.540 -11.393 -18.425 160 HB3 LEU 21 HB3 LEU 21 3.427 -10.335 -17.066 161 HG LEU 21 HG LEU 21 5.097 -9.848 -18.976 162 HD11 LEU 21 HD11 LEU 21 4.816 -8.571 -16.817 163 HD12 LEU 21 HD12 LEU 21 6.023 -9.630 -16.068 164 HD13 LEU 21 HD13 LEU 21 6.487 -8.556 -17.404 165 HD21 LEU 21 HD21 LEU 21 6.975 -11.542 -17.263 166 HD22 LEU 21 HD22 LEU 21 6.491 -11.893 -18.936 167 HD23 LEU 21 HD23 LEU 21 7.428 -10.444 -18.575 168 H ALA 22 H ALA 22 1.744 -12.690 -16.965 169 HA ALA 22 HA ALA 22 0.753 -11.760 -14.515 170 HB1 ALA 22 HB1 ALA 22 -0.449 -13.830 -16.392 171 HB2 ALA 22 HB2 ALA 22 -1.318 -12.918 -15.127 172 HB3 ALA 22 HB3 ALA 22 -0.613 -12.061 -16.511 173 H ARG 23 H ARG 23 1.755 -15.058 -15.365 174 HA ARG 23 HA ARG 23 1.095 -16.412 -12.937 175 HB2 ARG 23 HB2 ARG 23 3.268 -16.849 -15.034 176 HB3 ARG 23 HB3 ARG 23 2.971 -17.979 -13.712 177 HG2 ARG 23 HG2 ARG 23 0.853 -18.612 -14.560 178 HG3 ARG 23 HG3 ARG 23 0.754 -17.202 -15.622 179 HD2 ARG 23 HD2 ARG 23 2.770 -18.082 -16.879 180 HD3 ARG 23 HD3 ARG 23 2.693 -19.552 -15.894 181 HE ARG 23 HE ARG 23 0.768 -18.562 -17.938 182 HH11 ARG 23 HH11 ARG 23 1.493 -21.257 -15.794 183 HH12 ARG 23 HH12 ARG 23 0.378 -22.302 -16.643 184 HH21 ARG 23 HH21 ARG 23 -0.507 -19.840 -18.908 185 HH22 ARG 23 HH22 ARG 23 -0.796 -21.504 -18.408 186 H LYS 24 H LYS 24 4.352 -15.259 -13.921 187 HA LYS 24 HA LYS 24 5.527 -15.793 -11.371 188 HB2 LYS 24 HB2 LYS 24 6.458 -14.106 -13.726 189 HB3 LYS 24 HB3 LYS 24 7.424 -14.377 -12.280 190 HG2 LYS 24 HG2 LYS 24 7.692 -16.656 -12.639 191 HG3 LYS 24 HG3 LYS 24 6.275 -16.806 -13.656 192 HD2 LYS 24 HD2 LYS 24 8.500 -17.091 -14.802 193 HD3 LYS 24 HD3 LYS 24 7.368 -15.973 -15.562 194 HE2 LYS 24 HE2 LYS 24 8.534 -14.057 -14.796 195 HE3 LYS 24 HE3 LYS 24 9.578 -15.012 -13.729 196 HZ1 LYS 24 HZ1 LYS 24 9.594 -15.199 -16.695 197 HZ2 LYS 24 HZ2 LYS 24 10.708 -14.406 -15.814 198 HZ3 LYS 24 HZ3 LYS 24 10.573 -16.026 -15.697 199 H ALA 25 H ALA 25 4.301 -12.683 -12.713 200 HA ALA 25 HA ALA 25 4.933 -11.094 -10.400 201 HB1 ALA 25 HB1 ALA 25 2.642 -10.738 -12.370 202 HB2 ALA 25 HB2 ALA 25 3.336 -9.516 -11.284 203 HB3 ALA 25 HB3 ALA 25 4.305 -10.152 -12.621 204 H LYS 26 H LYS 26 1.572 -12.560 -11.159 205 HA LYS 26 HA LYS 26 0.776 -11.804 -8.575 206 HB2 LYS 26 HB2 LYS 26 -0.696 -12.554 -10.558 207 HB3 LYS 26 HB3 LYS 26 -0.375 -14.210 -10.031 208 HG2 LYS 26 HG2 LYS 26 -2.347 -13.792 -8.871 209 HG3 LYS 26 HG3 LYS 26 -1.183 -13.261 -7.662 210 HD2 LYS 26 HD2 LYS 26 -1.536 -10.899 -8.962 211 HD3 LYS 26 HD3 LYS 26 -3.098 -11.673 -9.307 212 HE2 LYS 26 HE2 LYS 26 -2.876 -12.284 -6.679 213 HE3 LYS 26 HE3 LYS 26 -1.786 -10.897 -6.713 214 HZ1 LYS 26 HZ1 LYS 26 -4.076 -10.279 -6.134 215 HZ2 LYS 26 HZ2 LYS 26 -3.578 -9.527 -7.484 216 HZ3 LYS 26 HZ3 LYS 26 -4.626 -10.790 -7.588 217 H GLU 27 H GLU 27 2.547 -14.744 -9.472 218 HA GLU 27 HA GLU 27 2.315 -16.094 -6.943 219 HB2 GLU 27 HB2 GLU 27 4.367 -16.153 -9.172 220 HB3 GLU 27 HB3 GLU 27 4.654 -16.991 -7.652 221 HG2 GLU 27 HG2 GLU 27 2.558 -18.263 -7.911 222 HG3 GLU 27 HG3 GLU 27 2.203 -17.442 -9.419 223 H GLU 28 H GLU 28 4.870 -13.778 -8.024 224 HA GLU 28 HA GLU 28 6.051 -13.776 -5.330 225 HB2 GLU 28 HB2 GLU 28 7.824 -12.545 -6.235 226 HB3 GLU 28 HB3 GLU 28 7.396 -13.770 -7.419 227 HG2 GLU 28 HG2 GLU 28 6.025 -11.898 -8.601 228 HG3 GLU 28 HG3 GLU 28 6.776 -10.792 -7.483 229 H VAL 29 H VAL 29 3.778 -11.812 -6.978 230 HA VAL 29 HA VAL 29 3.464 -10.004 -4.660 231 HB VAL 29 HB VAL 29 2.957 -8.104 -6.054 232 HG11 VAL 29 HG11 VAL 29 5.740 -9.101 -6.716 233 HG12 VAL 29 HG12 VAL 29 5.203 -7.427 -6.549 234 HG13 VAL 29 HG13 VAL 29 5.271 -8.467 -5.110 235 HG21 VAL 29 HG21 VAL 29 2.558 -9.406 -8.250 236 HG22 VAL 29 HG22 VAL 29 3.534 -7.921 -8.373 237 HG23 VAL 29 HG23 VAL 29 4.314 -9.520 -8.381 238 HA PRO 30 HA PRO 30 -0.507 -12.146 -5.622 239 HB2 PRO 30 HB2 PRO 30 -1.010 -12.900 -3.007 240 HB3 PRO 30 HB3 PRO 30 -0.016 -13.873 -4.144 241 HG2 PRO 30 HG2 PRO 30 0.897 -11.892 -2.037 242 HG3 PRO 30 HG3 PRO 30 1.524 -13.544 -2.348 243 HD2 PRO 30 HD2 PRO 30 2.753 -11.321 -3.344 244 HD3 PRO 30 HD3 PRO 30 2.682 -12.835 -4.296 245 H ASP 31 H ASP 31 0.569 -9.447 -3.957 246 HA ASP 31 HA ASP 31 -2.055 -8.442 -3.003 247 HB2 ASP 31 HB2 ASP 31 0.226 -8.158 -1.854 248 HB3 ASP 31 HB3 ASP 31 0.654 -7.059 -3.146 249 H ALA 32 H ALA 32 0.024 -8.343 -5.755 250 HA ALA 32 HA ALA 32 -0.798 -5.757 -6.743 251 HB1 ALA 32 HB1 ALA 32 0.807 -7.967 -8.095 252 HB2 ALA 32 HB2 ALA 32 0.792 -6.257 -8.561 253 HB3 ALA 32 HB3 ALA 32 1.507 -6.746 -7.008 254 H GLU 33 H GLU 33 -1.604 -5.447 -9.030 255 HA GLU 33 HA GLU 33 -3.659 -7.538 -9.689 256 HB2 GLU 33 HB2 GLU 33 -4.046 -4.741 -10.607 257 HB3 GLU 33 HB3 GLU 33 -5.212 -5.942 -10.152 258 HG2 GLU 33 HG2 GLU 33 -3.466 -4.384 -8.172 259 HG3 GLU 33 HG3 GLU 33 -5.052 -3.906 -8.708 260 H ILE 34 H ILE 34 -2.946 -8.745 -11.340 261 HA ILE 34 HA ILE 34 -1.502 -7.406 -13.521 262 HB ILE 34 HB ILE 34 -1.701 -10.393 -13.271 263 HG12 ILE 34 HG12 ILE 34 -1.174 -9.858 -11.002 264 HG13 ILE 34 HG13 ILE 34 0.169 -10.573 -11.810 265 HG21 ILE 34 HG21 ILE 34 0.853 -9.753 -14.021 266 HG22 ILE 34 HG22 ILE 34 -0.513 -9.969 -15.149 267 HG23 ILE 34 HG23 ILE 34 -0.020 -8.360 -14.661 268 HD11 ILE 34 HD11 ILE 34 1.345 -8.446 -11.935 269 HD12 ILE 34 HD12 ILE 34 -0.064 -7.566 -11.313 270 HD13 ILE 34 HD13 ILE 34 0.769 -8.743 -10.274 271 H ARG 35 H ARG 35 -2.382 -6.999 -15.388 272 HA ARG 35 HA ARG 35 -4.463 -8.763 -16.515 273 HB2 ARG 35 HB2 ARG 35 -5.989 -6.881 -17.093 274 HB3 ARG 35 HB3 ARG 35 -6.013 -7.345 -15.429 275 HG2 ARG 35 HG2 ARG 35 -4.331 -4.990 -16.400 276 HG3 ARG 35 HG3 ARG 35 -6.043 -4.902 -15.935 277 HD2 ARG 35 HD2 ARG 35 -4.978 -6.351 -13.853 278 HD3 ARG 35 HD3 ARG 35 -3.652 -5.301 -14.215 279 HE ARG 35 HE ARG 35 -6.345 -4.788 -13.066 280 HH11 ARG 35 HH11 ARG 35 -3.947 -2.904 -14.744 281 HH12 ARG 35 HH12 ARG 35 -4.727 -1.401 -14.262 282 HH21 ARG 35 HH21 ARG 35 -7.136 -2.993 -12.374 283 HH22 ARG 35 HH22 ARG 35 -6.608 -1.505 -13.108 284 H THR 36 H THR 36 -5.189 -8.069 -18.688 285 HA THR 36 HA THR 36 -2.994 -6.747 -20.193 286 HB THR 36 HB THR 36 -3.148 -8.242 -22.028 287 HG1 THR 36 HG1 THR 36 -4.669 -9.947 -22.022 288 HG21 THR 36 HG21 THR 36 -2.423 -10.316 -21.237 289 HG22 THR 36 HG22 THR 36 -1.951 -9.194 -19.948 290 HG23 THR 36 HG23 THR 36 -3.384 -10.210 -19.733 291 H VAL 37 H VAL 37 -3.561 -5.947 -22.318 292 HA VAL 37 HA VAL 37 -6.393 -5.116 -22.727 293 HB VAL 37 HB VAL 37 -6.146 -3.009 -22.572 294 HG11 VAL 37 HG11 VAL 37 -4.606 -2.027 -21.027 295 HG12 VAL 37 HG12 VAL 37 -5.244 -3.578 -20.423 296 HG13 VAL 37 HG13 VAL 37 -3.576 -3.477 -21.066 297 HG21 VAL 37 HG21 VAL 37 -4.154 -1.646 -23.152 298 HG22 VAL 37 HG22 VAL 37 -3.472 -3.117 -23.866 299 HG23 VAL 37 HG23 VAL 37 -5.088 -2.482 -24.407 300 H THR 38 H THR 38 -6.894 -4.608 -24.786 301 HA THR 38 HA THR 38 -4.867 -5.337 -26.901 302 HB THR 38 HB THR 38 -6.285 -7.249 -26.546 303 HG1 THR 38 HG1 THR 38 -6.938 -5.994 -28.994 304 HG21 THR 38 HG21 THR 38 -8.631 -5.497 -27.330 305 HG22 THR 38 HG22 THR 38 -8.637 -7.270 -27.188 306 HG23 THR 38 HG23 THR 38 -8.329 -6.283 -25.756 307 H THR 39 H THR 39 -7.507 -3.241 -26.071 308 HA THR 39 HA THR 39 -6.870 -1.398 -28.313 309 HB THR 39 HB THR 39 -9.508 -1.035 -28.277 310 HG1 THR 39 HG1 THR 39 -10.556 -3.042 -28.062 311 HG21 THR 39 HG21 THR 39 -8.317 -3.438 -29.714 312 HG22 THR 39 HG22 THR 39 -9.789 -2.555 -30.164 313 HG23 THR 39 HG23 THR 39 -8.214 -1.753 -30.276 314 H LYS 40 H LYS 40 -8.082 0.672 -28.031 315 HA LYS 40 HA LYS 40 -7.195 2.010 -25.770 316 HB2 LYS 40 HB2 LYS 40 -8.625 3.875 -26.533 317 HB3 LYS 40 HB3 LYS 40 -7.659 3.119 -27.785 318 HG2 LYS 40 HG2 LYS 40 -9.600 3.562 -28.883 319 HG3 LYS 40 HG3 LYS 40 -9.737 1.854 -28.539 320 HD2 LYS 40 HD2 LYS 40 -11.857 3.052 -28.340 321 HD3 LYS 40 HD3 LYS 40 -11.430 2.320 -26.804 322 HE2 LYS 40 HE2 LYS 40 -10.648 4.507 -25.956 323 HE3 LYS 40 HE3 LYS 40 -10.903 5.235 -27.534 324 HZ1 LYS 40 HZ1 LYS 40 -13.277 4.782 -27.313 325 HZ2 LYS 40 HZ2 LYS 40 -13.064 4.098 -25.851 326 HZ3 LYS 40 HZ3 LYS 40 -12.765 5.692 -26.064 327 H GLU 41 H GLU 41 -10.138 0.254 -26.161 328 HA GLU 41 HA GLU 41 -11.520 1.397 -23.863 329 HB2 GLU 41 HB2 GLU 41 -13.187 -0.360 -24.238 330 HB3 GLU 41 HB3 GLU 41 -12.798 0.552 -25.703 331 HG2 GLU 41 HG2 GLU 41 -11.480 -1.248 -26.581 332 HG3 GLU 41 HG3 GLU 41 -11.638 -2.192 -25.095 333 H ASP 42 H ASP 42 -9.667 -1.583 -24.466 334 HA ASP 42 HA ASP 42 -10.000 -2.626 -21.789 335 HB2 ASP 42 HB2 ASP 42 -7.957 -3.196 -23.945 336 HB3 ASP 42 HB3 ASP 42 -8.023 -3.961 -22.369 337 H ALA 43 H ALA 43 -7.537 -0.581 -23.343 338 HA ALA 43 HA ALA 43 -5.864 -0.350 -21.014 339 HB1 ALA 43 HB1 ALA 43 -5.209 1.843 -22.179 340 HB2 ALA 43 HB2 ALA 43 -4.952 0.317 -23.033 341 HB3 ALA 43 HB3 ALA 43 -6.337 1.364 -23.472 342 H LYS 44 H LYS 44 -8.668 1.534 -22.149 343 HA LYS 44 HA LYS 44 -8.652 3.366 -19.979 344 HB2 LYS 44 HB2 LYS 44 -9.849 3.805 -22.024 345 HB3 LYS 44 HB3 LYS 44 -11.019 2.512 -21.686 346 HG2 LYS 44 HG2 LYS 44 -11.992 3.647 -19.901 347 HG3 LYS 44 HG3 LYS 44 -10.533 4.591 -19.553 348 HD2 LYS 44 HD2 LYS 44 -10.900 5.825 -21.728 349 HD3 LYS 44 HD3 LYS 44 -12.496 5.067 -21.819 350 HE2 LYS 44 HE2 LYS 44 -11.425 6.767 -19.515 351 HE3 LYS 44 HE3 LYS 44 -12.495 7.358 -20.786 352 HZ1 LYS 44 HZ1 LYS 44 -13.192 5.261 -18.800 353 HZ2 LYS 44 HZ2 LYS 44 -13.770 6.771 -18.831 354 HZ3 LYS 44 HZ3 LYS 44 -14.159 5.720 -20.024 355 H ARG 45 H ARG 45 -10.402 0.230 -20.272 356 HA ARG 45 HA ARG 45 -11.720 0.515 -17.755 357 HB2 ARG 45 HB2 ARG 45 -12.675 -1.499 -18.022 358 HB3 ARG 45 HB3 ARG 45 -12.401 -0.957 -19.670 359 HG2 ARG 45 HG2 ARG 45 -10.327 -2.486 -19.667 360 HG3 ARG 45 HG3 ARG 45 -10.937 -3.142 -18.136 361 HD2 ARG 45 HD2 ARG 45 -13.035 -3.814 -19.241 362 HD3 ARG 45 HD3 ARG 45 -12.523 -2.992 -20.726 363 HE ARG 45 HE ARG 45 -11.107 -4.733 -21.287 364 HH11 ARG 45 HH11 ARG 45 -12.302 -5.503 -18.062 365 HH12 ARG 45 HH12 ARG 45 -11.685 -7.134 -18.188 366 HH21 ARG 45 HH21 ARG 45 -10.345 -6.593 -21.339 367 HH22 ARG 45 HH22 ARG 45 -10.534 -7.763 -20.032 368 H VAL 46 H VAL 46 -8.784 -1.397 -18.559 369 HA VAL 46 HA VAL 46 -8.293 -2.244 -15.859 370 HB VAL 46 HB VAL 46 -6.141 -2.775 -16.449 371 HG11 VAL 46 HG11 VAL 46 -7.890 -3.417 -18.862 372 HG12 VAL 46 HG12 VAL 46 -6.485 -4.328 -18.312 373 HG13 VAL 46 HG13 VAL 46 -7.930 -4.246 -17.292 374 HG21 VAL 46 HG21 VAL 46 -6.275 -1.167 -18.953 375 HG22 VAL 46 HG22 VAL 46 -5.221 -0.970 -17.516 376 HG23 VAL 46 HG23 VAL 46 -5.038 -2.402 -18.533 377 H ALA 47 H ALA 47 -7.190 0.752 -17.524 378 HA ALA 47 HA ALA 47 -5.740 1.625 -15.210 379 HB1 ALA 47 HB1 ALA 47 -6.829 3.345 -17.462 380 HB2 ALA 47 HB2 ALA 47 -5.363 3.590 -16.441 381 HB3 ALA 47 HB3 ALA 47 -5.429 2.295 -17.647 382 H GLU 48 H GLU 48 -8.990 2.666 -16.443 383 HA GLU 48 HA GLU 48 -9.548 4.416 -14.275 384 HB2 GLU 48 HB2 GLU 48 -11.728 4.558 -15.076 385 HB3 GLU 48 HB3 GLU 48 -10.725 4.341 -16.509 386 HG2 GLU 48 HG2 GLU 48 -11.256 1.820 -16.257 387 HG3 GLU 48 HG3 GLU 48 -12.394 2.250 -15.040 388 H GLU 49 H GLU 49 -9.472 0.951 -14.393 389 HA GLU 49 HA GLU 49 -10.945 0.544 -11.869 390 HB2 GLU 49 HB2 GLU 49 -10.504 -1.212 -13.763 391 HB3 GLU 49 HB3 GLU 49 -8.891 -1.334 -13.118 392 HG2 GLU 49 HG2 GLU 49 -10.092 -1.753 -10.801 393 HG3 GLU 49 HG3 GLU 49 -11.495 -2.114 -11.802 394 H ALA 50 H ALA 50 -7.532 0.491 -12.909 395 HA ALA 50 HA ALA 50 -6.298 0.019 -10.404 396 HB1 ALA 50 HB1 ALA 50 -5.358 1.563 -12.818 397 HB2 ALA 50 HB2 ALA 50 -4.318 1.210 -11.427 398 HB3 ALA 50 HB3 ALA 50 -4.982 -0.131 -12.402 399 H GLU 51 H GLU 51 -7.511 3.142 -11.704 400 HA GLU 51 HA GLU 51 -6.339 4.616 -9.461 401 HB2 GLU 51 HB2 GLU 51 -7.417 6.545 -10.318 402 HB3 GLU 51 HB3 GLU 51 -6.802 5.580 -11.686 403 HG2 GLU 51 HG2 GLU 51 -9.001 4.827 -12.255 404 HG3 GLU 51 HG3 GLU 51 -9.707 5.528 -10.802 405 H ARG 52 H ARG 52 -9.025 2.695 -9.683 406 HA ARG 52 HA ARG 52 -10.635 3.945 -7.514 407 HB2 ARG 52 HB2 ARG 52 -10.943 1.061 -8.438 408 HB3 ARG 52 HB3 ARG 52 -12.145 2.099 -7.702 409 HG2 ARG 52 HG2 ARG 52 -10.935 2.445 -10.448 410 HG3 ARG 52 HG3 ARG 52 -12.491 1.693 -10.130 411 HD2 ARG 52 HD2 ARG 52 -11.803 4.601 -9.441 412 HD3 ARG 52 HD3 ARG 52 -12.608 4.101 -10.915 413 HE ARG 52 HE ARG 52 -13.785 4.304 -8.255 414 HH11 ARG 52 HH11 ARG 52 -15.969 3.944 -7.977 415 HH12 ARG 52 HH12 ARG 52 -16.887 3.168 -9.240 416 HH21 ARG 52 HH21 ARG 52 -14.219 2.808 -11.387 417 HH22 ARG 52 HH22 ARG 52 -15.930 2.543 -11.128 418 H ARG 53 H ARG 53 -8.533 1.185 -7.890 419 HA ARG 53 HA ARG 53 -8.427 0.660 -4.967 420 HB2 ARG 53 HB2 ARG 53 -7.306 -1.430 -5.607 421 HB3 ARG 53 HB3 ARG 53 -8.791 -1.233 -6.536 422 HG2 ARG 53 HG2 ARG 53 -6.965 -0.070 -8.233 423 HG3 ARG 53 HG3 ARG 53 -5.932 -1.233 -7.439 424 HD2 ARG 53 HD2 ARG 53 -8.543 -1.896 -8.856 425 HD3 ARG 53 HD3 ARG 53 -6.913 -2.207 -9.475 426 HE ARG 53 HE ARG 53 -6.813 -3.553 -7.121 427 HH11 ARG 53 HH11 ARG 53 -8.899 -4.019 -9.863 428 HH12 ARG 53 HH12 ARG 53 -9.665 -5.415 -9.170 429 HH21 ARG 53 HH21 ARG 53 -7.433 -5.485 -6.560 430 HH22 ARG 53 HH22 ARG 53 -8.774 -6.297 -7.331 431 H ASN 54 H ASN 54 -6.708 2.397 -7.221 432 HA ASN 54 HA ASN 54 -5.062 3.918 -6.911 433 HB2 ASN 54 HB2 ASN 54 -5.751 3.155 -4.120 434 HB3 ASN 54 HB3 ASN 54 -4.364 4.215 -4.379 435 HD21 ASN 54 HD21 ASN 54 -8.214 5.380 -5.338 436 HD22 ASN 54 HD22 ASN 54 -7.847 3.736 -4.900 437 H ALA 55 H ALA 55 -4.062 2.223 -8.175 438 HA ALA 55 HA ALA 55 -1.988 0.560 -7.182 439 HB1 ALA 55 HB1 ALA 55 -2.302 1.787 -9.936 440 HB2 ALA 55 HB2 ALA 55 -1.406 0.309 -9.459 441 HB3 ALA 55 HB3 ALA 55 -3.193 0.384 -9.315 442 H ASP 56 H ASP 56 -0.674 1.650 -5.774 443 HA ASP 56 HA ASP 56 0.657 4.066 -5.984 444 HB2 ASP 56 HB2 ASP 56 1.223 1.386 -4.720 445 HB3 ASP 56 HB3 ASP 56 2.467 2.544 -4.610 446 H ILE 57 H ILE 57 1.487 1.018 -7.614 447 HA ILE 57 HA ILE 57 3.401 2.486 -9.347 448 HB ILE 57 HB ILE 57 4.125 -0.324 -8.548 449 HG12 ILE 57 HG12 ILE 57 4.751 2.064 -6.790 450 HG13 ILE 57 HG13 ILE 57 3.892 0.591 -6.357 451 HG21 ILE 57 HG21 ILE 57 5.219 0.968 -10.437 452 HG22 ILE 57 HG22 ILE 57 5.826 2.108 -9.225 453 HG23 ILE 57 HG23 ILE 57 6.349 0.402 -9.216 454 HD11 ILE 57 HD11 ILE 57 5.966 -0.741 -6.691 455 HD12 ILE 57 HD12 ILE 57 6.853 0.774 -6.983 456 HD13 ILE 57 HD13 ILE 57 6.097 0.480 -5.410 457 H VAL 58 H VAL 58 2.990 2.094 -11.464 458 HA VAL 58 HA VAL 58 1.468 -0.336 -12.291 459 HB VAL 58 HB VAL 58 0.704 1.399 -14.162 460 HG11 VAL 58 HG11 VAL 58 -0.535 1.033 -11.443 461 HG12 VAL 58 HG12 VAL 58 -1.362 1.729 -12.857 462 HG13 VAL 58 HG13 VAL 58 -0.797 0.056 -12.923 463 HG21 VAL 58 HG21 VAL 58 1.950 3.277 -12.945 464 HG22 VAL 58 HG22 VAL 58 0.254 3.574 -13.314 465 HG23 VAL 58 HG23 VAL 58 0.769 3.151 -11.647 466 H VAL 59 H VAL 59 3.114 -1.547 -12.886 467 HA VAL 59 HA VAL 59 5.157 -0.732 -14.848 468 HB VAL 59 HB VAL 59 4.452 -3.447 -13.653 469 HG11 VAL 59 HG11 VAL 59 5.682 -3.677 -15.809 470 HG12 VAL 59 HG12 VAL 59 6.913 -2.535 -15.201 471 HG13 VAL 59 HG13 VAL 59 6.703 -4.131 -14.442 472 HG21 VAL 59 HG21 VAL 59 5.290 -1.862 -11.932 473 HG22 VAL 59 HG22 VAL 59 6.422 -3.184 -12.244 474 HG23 VAL 59 HG23 VAL 59 6.737 -1.578 -12.927 475 H ILE 60 H ILE 60 4.211 -0.255 -16.819 476 HA ILE 60 HA ILE 60 2.208 -2.064 -18.002 477 HB ILE 60 HB ILE 60 3.686 0.146 -19.387 478 HG12 ILE 60 HG12 ILE 60 2.689 1.171 -17.278 479 HG13 ILE 60 HG13 ILE 60 2.213 1.862 -18.799 480 HG21 ILE 60 HG21 ILE 60 1.000 -1.205 -19.838 481 HG22 ILE 60 HG22 ILE 60 1.485 0.288 -20.647 482 HG23 ILE 60 HG23 ILE 60 2.426 -1.204 -20.898 483 HD11 ILE 60 HD11 ILE 60 0.338 1.710 -17.291 484 HD12 ILE 60 HD12 ILE 60 0.053 0.661 -18.679 485 HD13 ILE 60 HD13 ILE 60 0.566 -0.045 -17.112 486 H VAL 61 H VAL 61 2.732 -3.534 -19.614 487 HA VAL 61 HA VAL 61 5.581 -3.909 -20.432 488 HB VAL 61 HB VAL 61 3.481 -6.071 -20.240 489 HG11 VAL 61 HG11 VAL 61 6.518 -6.144 -20.439 490 HG12 VAL 61 HG12 VAL 61 5.464 -7.558 -20.260 491 HG13 VAL 61 HG13 VAL 61 5.360 -6.586 -21.723 492 HG21 VAL 61 HG21 VAL 61 3.867 -5.229 -17.941 493 HG22 VAL 61 HG22 VAL 61 4.555 -6.832 -18.167 494 HG23 VAL 61 HG23 VAL 61 5.625 -5.409 -18.164 495 H GLY 62 H GLY 62 5.961 -3.774 -22.545 496 HA2 GLY 62 HA2 GLY 62 3.947 -4.456 -24.595 497 HA3 GLY 62 HA3 GLY 62 4.416 -2.756 -24.511 498 HA PRO 63 HA PRO 63 7.271 -5.318 -27.280 499 HB2 PRO 63 HB2 PRO 63 6.862 -3.941 -29.631 500 HB3 PRO 63 HB3 PRO 63 5.855 -5.311 -29.088 501 HG2 PRO 63 HG2 PRO 63 5.230 -2.365 -28.882 502 HG3 PRO 63 HG3 PRO 63 4.137 -3.697 -29.328 503 HD2 PRO 63 HD2 PRO 63 4.255 -2.616 -26.797 504 HD3 PRO 63 HD3 PRO 63 3.841 -4.332 -27.086 505 H SER 64 H SER 64 6.753 -1.918 -28.015 506 HA SER 64 HA SER 64 9.513 -1.046 -27.316 507 HB2 SER 64 HB2 SER 64 9.981 -0.357 -29.617 508 HB3 SER 64 HB3 SER 64 9.712 -2.103 -29.502 509 HG SER 64 HG SER 64 8.515 -1.326 -31.228 510 H GLY 65 H GLY 65 6.198 -0.152 -28.062 511 HA2 GLY 65 HA2 GLY 65 5.191 1.955 -27.667 512 HA3 GLY 65 HA3 GLY 65 6.762 2.726 -27.591 513 H SER 66 H SER 66 6.845 0.758 -30.291 514 HA SER 66 HA SER 66 6.038 2.971 -32.147 515 HB2 SER 66 HB2 SER 66 8.507 1.201 -32.235 516 HB3 SER 66 HB3 SER 66 8.086 2.449 -33.414 517 HG SER 66 HG SER 66 8.299 3.995 -31.776 518 H GLY 67 H GLY 67 5.190 -0.178 -31.506 519 HA2 GLY 67 HA2 GLY 67 4.867 -1.052 -34.343 520 HA3 GLY 67 HA3 GLY 67 4.460 -1.966 -32.896 521 H LYS 68 H LYS 68 2.673 -1.283 -31.639 522 HA LYS 68 HA LYS 68 0.468 0.296 -32.853 523 HB2 LYS 68 HB2 LYS 68 -1.084 -1.590 -32.848 524 HB3 LYS 68 HB3 LYS 68 0.299 -1.955 -33.842 525 HG2 LYS 68 HG2 LYS 68 0.128 -3.925 -32.743 526 HG3 LYS 68 HG3 LYS 68 1.265 -3.102 -31.667 527 HD2 LYS 68 HD2 LYS 68 -0.441 -4.486 -30.574 528 HD3 LYS 68 HD3 LYS 68 -0.327 -2.846 -29.958 529 HE2 LYS 68 HE2 LYS 68 -2.383 -2.197 -30.949 530 HE3 LYS 68 HE3 LYS 68 -2.366 -3.534 -32.094 531 HZ1 LYS 68 HZ1 LYS 68 -2.845 -5.069 -30.325 532 HZ2 LYS 68 HZ2 LYS 68 -2.774 -3.904 -29.177 533 HZ3 LYS 68 HZ3 LYS 68 -3.964 -3.892 -30.283 534 H SER 69 H SER 69 2.238 -0.266 -30.209 535 HA SER 69 HA SER 69 0.330 -1.002 -28.197 536 HB2 SER 69 HB2 SER 69 2.359 -0.768 -26.720 537 HB3 SER 69 HB3 SER 69 2.469 -1.881 -28.081 538 HG SER 69 HG SER 69 3.553 0.729 -27.933 539 H THR 70 H THR 70 -0.347 1.544 -29.490 540 HA THR 70 HA THR 70 -0.087 3.821 -27.835 541 HB THR 70 HB THR 70 -2.749 2.977 -28.965 542 HG1 THR 70 HG1 THR 70 -2.041 3.672 -30.999 543 HG21 THR 70 HG21 THR 70 -2.928 5.349 -29.587 544 HG22 THR 70 HG22 THR 70 -2.585 5.184 -27.856 545 HG23 THR 70 HG23 THR 70 -1.283 5.645 -28.975 546 H LEU 71 H LEU 71 -2.009 0.909 -27.371 547 HA LEU 71 HA LEU 71 -3.721 1.772 -25.301 548 HB2 LEU 71 HB2 LEU 71 -2.611 -1.036 -25.498 549 HB3 LEU 71 HB3 LEU 71 -4.187 -0.478 -24.958 550 HG LEU 71 HG LEU 71 -4.786 -1.421 -26.862 551 HD11 LEU 71 HD11 LEU 71 -4.069 1.236 -28.166 552 HD12 LEU 71 HD12 LEU 71 -5.379 0.150 -28.558 553 HD13 LEU 71 HD13 LEU 71 -5.390 1.046 -27.000 554 HD21 LEU 71 HD21 LEU 71 -2.299 -0.483 -28.347 555 HD22 LEU 71 HD22 LEU 71 -2.544 -2.090 -27.644 556 HD23 LEU 71 HD23 LEU 71 -3.592 -1.515 -28.962 557 H ALA 72 H ALA 72 -0.361 0.716 -25.154 558 HA ALA 72 HA ALA 72 -0.118 0.532 -22.268 559 HB1 ALA 72 HB1 ALA 72 2.324 0.684 -22.720 560 HB2 ALA 72 HB2 ALA 72 1.555 -0.482 -23.797 561 HB3 ALA 72 HB3 ALA 72 2.000 1.122 -24.397 562 H LYS 73 H LYS 73 0.537 3.205 -24.605 563 HA LYS 73 HA LYS 73 1.053 5.039 -22.418 564 HB2 LYS 73 HB2 LYS 73 1.405 6.791 -23.981 565 HB3 LYS 73 HB3 LYS 73 2.273 5.329 -24.381 566 HG2 LYS 73 HG2 LYS 73 1.728 5.760 -26.444 567 HG3 LYS 73 HG3 LYS 73 0.226 4.960 -26.056 568 HD2 LYS 73 HD2 LYS 73 0.756 7.966 -26.111 569 HD3 LYS 73 HD3 LYS 73 -0.057 7.029 -27.355 570 HE2 LYS 73 HE2 LYS 73 -1.858 6.452 -25.684 571 HE3 LYS 73 HE3 LYS 73 -1.066 7.530 -24.528 572 HZ1 LYS 73 HZ1 LYS 73 -2.820 8.708 -25.704 573 HZ2 LYS 73 HZ2 LYS 73 -1.394 9.359 -26.121 574 HZ3 LYS 73 HZ3 LYS 73 -2.161 8.368 -27.157 575 H ILE 74 H ILE 74 -1.925 4.190 -24.071 576 HA ILE 74 HA ILE 74 -3.543 6.313 -22.976 577 HB ILE 74 HB ILE 74 -4.233 3.472 -23.784 578 HG12 ILE 74 HG12 ILE 74 -5.014 6.114 -25.096 579 HG13 ILE 74 HG13 ILE 74 -3.558 5.248 -25.537 580 HG21 ILE 74 HG21 ILE 74 -6.145 5.697 -22.916 581 HG22 ILE 74 HG22 ILE 74 -6.637 4.149 -23.645 582 HG23 ILE 74 HG23 ILE 74 -5.883 4.169 -22.062 583 HD11 ILE 74 HD11 ILE 74 -4.979 3.248 -26.188 584 HD12 ILE 74 HD12 ILE 74 -6.409 4.250 -25.875 585 HD13 ILE 74 HD13 ILE 74 -5.253 4.707 -27.141 586 H VAL 75 H VAL 75 -2.852 2.979 -21.634 587 HA VAL 75 HA VAL 75 -4.115 3.446 -19.138 588 HB VAL 75 HB VAL 75 -1.669 1.750 -19.811 589 HG11 VAL 75 HG11 VAL 75 -3.491 1.483 -17.349 590 HG12 VAL 75 HG12 VAL 75 -2.099 0.474 -17.776 591 HG13 VAL 75 HG13 VAL 75 -1.861 2.161 -17.306 592 HG21 VAL 75 HG21 VAL 75 -3.144 -0.173 -19.801 593 HG22 VAL 75 HG22 VAL 75 -4.551 0.883 -19.480 594 HG23 VAL 75 HG23 VAL 75 -3.633 0.989 -21.013 595 H LYS 76 H LYS 76 -0.672 4.001 -20.046 596 HA LYS 76 HA LYS 76 0.135 5.133 -17.588 597 HB2 LYS 76 HB2 LYS 76 1.712 4.450 -19.269 598 HB3 LYS 76 HB3 LYS 76 1.143 5.689 -20.398 599 HG2 LYS 76 HG2 LYS 76 2.269 7.397 -19.373 600 HG3 LYS 76 HG3 LYS 76 2.054 6.742 -17.760 601 HD2 LYS 76 HD2 LYS 76 4.436 6.780 -18.457 602 HD3 LYS 76 HD3 LYS 76 3.843 5.192 -18.002 603 HE2 LYS 76 HE2 LYS 76 5.216 4.842 -19.851 604 HE3 LYS 76 HE3 LYS 76 3.572 4.580 -20.384 605 HZ1 LYS 76 HZ1 LYS 76 3.653 6.827 -21.406 606 HZ2 LYS 76 HZ2 LYS 76 5.212 6.999 -20.918 607 HZ3 LYS 76 HZ3 LYS 76 4.809 5.815 -21.967 608 H LYS 77 H LYS 77 -1.547 6.778 -20.245 609 HA LYS 77 HA LYS 77 -1.389 9.401 -18.949 610 HB2 LYS 77 HB2 LYS 77 -3.096 8.286 -21.200 611 HB3 LYS 77 HB3 LYS 77 -3.347 9.905 -20.575 612 HG2 LYS 77 HG2 LYS 77 -0.661 8.961 -21.631 613 HG3 LYS 77 HG3 LYS 77 -1.894 9.733 -22.632 614 HD2 LYS 77 HD2 LYS 77 -1.808 11.747 -21.165 615 HD3 LYS 77 HD3 LYS 77 -0.524 10.990 -20.208 616 HE2 LYS 77 HE2 LYS 77 0.905 10.827 -22.227 617 HE3 LYS 77 HE3 LYS 77 -0.369 11.589 -23.186 618 HZ1 LYS 77 HZ1 LYS 77 1.013 12.881 -20.899 619 HZ2 LYS 77 HZ2 LYS 77 1.303 13.207 -22.469 620 HZ3 LYS 77 HZ3 LYS 77 -0.144 13.573 -21.820 621 H ILE 78 H ILE 78 -3.836 6.805 -18.828 622 HA ILE 78 HA ILE 78 -5.675 8.339 -17.186 623 HB ILE 78 HB ILE 78 -5.382 5.360 -17.526 624 HG12 ILE 78 HG12 ILE 78 -6.523 7.442 -19.218 625 HG13 ILE 78 HG13 ILE 78 -6.097 5.779 -19.546 626 HG21 ILE 78 HG21 ILE 78 -7.579 6.986 -16.174 627 HG22 ILE 78 HG22 ILE 78 -7.704 5.256 -16.559 628 HG23 ILE 78 HG23 ILE 78 -6.502 5.793 -15.406 629 HD11 ILE 78 HD11 ILE 78 -8.743 6.721 -18.380 630 HD12 ILE 78 HD12 ILE 78 -8.446 6.122 -20.023 631 HD13 ILE 78 HD13 ILE 78 -8.290 5.023 -18.642 632 H ILE 79 H ILE 79 -2.888 6.263 -16.292 633 HA ILE 79 HA ILE 79 -3.524 6.705 -13.445 634 HB ILE 79 HB ILE 79 -1.233 5.115 -14.585 635 HG12 ILE 79 HG12 ILE 79 -3.326 4.146 -15.406 636 HG13 ILE 79 HG13 ILE 79 -2.630 3.122 -14.171 637 HG21 ILE 79 HG21 ILE 79 -2.454 5.501 -11.831 638 HG22 ILE 79 HG22 ILE 79 -1.659 3.984 -12.203 639 HG23 ILE 79 HG23 ILE 79 -0.745 5.504 -12.350 640 HD11 ILE 79 HD11 ILE 79 -5.047 3.315 -13.963 641 HD12 ILE 79 HD12 ILE 79 -4.258 3.958 -12.505 642 HD13 ILE 79 HD13 ILE 79 -4.946 5.064 -13.719 643 H ALA 80 H ALA 80 -1.274 8.075 -15.755 644 HA ALA 80 HA ALA 80 0.551 9.191 -14.015 645 HB1 ALA 80 HB1 ALA 80 -0.578 10.331 -16.598 646 HB2 ALA 80 HB2 ALA 80 0.838 10.976 -15.756 647 HB3 ALA 80 HB3 ALA 80 0.888 9.329 -16.390 648 H ARG 81 H ARG 81 -2.753 10.394 -14.815 649 HA ARG 81 HA ARG 81 -2.425 12.662 -12.954 650 HB2 ARG 81 HB2 ARG 81 -4.286 13.623 -13.794 651 HB3 ARG 81 HB3 ARG 81 -3.672 12.819 -15.227 652 HG2 ARG 81 HG2 ARG 81 -5.809 11.619 -13.411 653 HG3 ARG 81 HG3 ARG 81 -6.204 12.751 -14.708 654 HD2 ARG 81 HD2 ARG 81 -5.533 11.210 -16.401 655 HD3 ARG 81 HD3 ARG 81 -4.686 10.197 -15.235 656 HE ARG 81 HE ARG 81 -6.590 9.117 -14.705 657 HH11 ARG 81 HH11 ARG 81 -7.685 11.998 -16.386 658 HH12 ARG 81 HH12 ARG 81 -9.355 11.481 -16.324 659 HH21 ARG 81 HH21 ARG 81 -8.716 8.612 -14.528 660 HH22 ARG 81 HH22 ARG 81 -9.912 9.585 -15.336 661 H ALA 82 H ALA 82 -3.702 9.413 -12.864 662 HA ALA 82 HA ALA 82 -5.549 9.679 -10.723 663 HB1 ALA 82 HB1 ALA 82 -3.686 7.344 -11.306 664 HB2 ALA 82 HB2 ALA 82 -5.189 7.289 -10.388 665 HB3 ALA 82 HB3 ALA 82 -5.247 7.634 -12.134 666 H GLY 83 H GLY 83 -2.101 9.758 -10.710 667 HA2 GLY 83 HA2 GLY 83 -1.200 11.130 -8.833 668 HA3 GLY 83 HA3 GLY 83 -2.129 10.112 -7.731 669 H ALA 84 H ALA 84 -0.515 8.378 -10.274 670 HA ALA 84 HA ALA 84 1.454 7.307 -8.284 671 HB1 ALA 84 HB1 ALA 84 -0.287 5.946 -10.349 672 HB2 ALA 84 HB2 ALA 84 0.941 5.130 -9.363 673 HB3 ALA 84 HB3 ALA 84 -0.483 5.870 -8.588 674 H LYS 85 H LYS 85 2.929 5.700 -9.592 675 HA LYS 85 HA LYS 85 4.141 7.191 -11.872 676 HB2 LYS 85 HB2 LYS 85 6.297 6.301 -11.225 677 HB3 LYS 85 HB3 LYS 85 5.556 7.207 -9.896 678 HG2 LYS 85 HG2 LYS 85 4.819 5.068 -8.860 679 HG3 LYS 85 HG3 LYS 85 5.499 4.174 -10.188 680 HD2 LYS 85 HD2 LYS 85 6.951 4.066 -8.269 681 HD3 LYS 85 HD3 LYS 85 7.793 4.892 -9.564 682 HE2 LYS 85 HE2 LYS 85 6.392 6.472 -7.368 683 HE3 LYS 85 HE3 LYS 85 7.952 5.720 -7.078 684 HZ1 LYS 85 HZ1 LYS 85 8.778 6.962 -9.081 685 HZ2 LYS 85 HZ2 LYS 85 7.422 7.888 -8.987 686 HZ3 LYS 85 HZ3 LYS 85 8.484 7.827 -7.752 687 H THR 86 H THR 86 4.184 6.296 -13.677 688 HA THR 86 HA THR 86 3.648 3.383 -14.054 689 HB THR 86 HB THR 86 2.883 5.449 -16.124 690 HG1 THR 86 HG1 THR 86 1.153 6.184 -15.123 691 HG21 THR 86 HG21 THR 86 1.829 2.800 -15.409 692 HG22 THR 86 HG22 THR 86 0.648 4.004 -15.915 693 HG23 THR 86 HG23 THR 86 2.033 3.617 -16.969 694 H ILE 87 H ILE 87 4.760 2.242 -15.470 695 HA ILE 87 HA ILE 87 6.816 3.637 -17.137 696 HB ILE 87 HB ILE 87 8.459 1.850 -16.414 697 HG12 ILE 87 HG12 ILE 87 6.854 0.319 -15.396 698 HG13 ILE 87 HG13 ILE 87 8.327 0.652 -14.469 699 HG21 ILE 87 HG21 ILE 87 7.632 3.975 -14.438 700 HG22 ILE 87 HG22 ILE 87 9.166 3.074 -14.415 701 HG23 ILE 87 HG23 ILE 87 8.767 4.119 -15.788 702 HD11 ILE 87 HD11 ILE 87 5.474 1.178 -13.884 703 HD12 ILE 87 HD12 ILE 87 6.774 0.705 -12.780 704 HD13 ILE 87 HD13 ILE 87 6.583 2.414 -13.307 705 H GLU 88 H GLU 88 7.882 2.193 -18.654 706 HA GLU 88 HA GLU 88 6.013 0.146 -19.780 707 HB2 GLU 88 HB2 GLU 88 7.297 2.496 -21.196 708 HB3 GLU 88 HB3 GLU 88 6.855 1.027 -22.068 709 HG2 GLU 88 HG2 GLU 88 4.512 1.257 -21.324 710 HG3 GLU 88 HG3 GLU 88 4.917 2.749 -20.487 711 H VAL 89 H VAL 89 7.230 -1.562 -19.035 712 HA VAL 89 HA VAL 89 10.102 -1.745 -19.674 713 HB VAL 89 HB VAL 89 10.237 -3.659 -18.380 714 HG11 VAL 89 HG11 VAL 89 8.115 -1.913 -17.031 715 HG12 VAL 89 HG12 VAL 89 9.174 -3.060 -16.216 716 HG13 VAL 89 HG13 VAL 89 9.868 -1.628 -17.010 717 HG21 VAL 89 HG21 VAL 89 8.387 -5.022 -19.131 718 HG22 VAL 89 HG22 VAL 89 8.286 -4.857 -17.384 719 HG23 VAL 89 HG23 VAL 89 7.208 -3.888 -18.414 720 H THR 90 H THR 90 10.761 -2.330 -21.656 721 HA THR 90 HA THR 90 8.940 -3.552 -23.583 722 HB THR 90 HB THR 90 11.099 -3.633 -24.987 723 HG1 THR 90 HG1 THR 90 12.789 -3.165 -23.872 724 HG21 THR 90 HG21 THR 90 9.293 -1.934 -25.214 725 HG22 THR 90 HG22 THR 90 10.113 -0.920 -24.002 726 HG23 THR 90 HG23 THR 90 10.900 -1.288 -25.560 727 H THR 91 H THR 91 9.639 -5.484 -24.832 728 HA THR 91 HA THR 91 9.899 -7.778 -23.145 729 HB THR 91 HB THR 91 10.184 -9.034 -25.315 730 HG1 THR 91 HG1 THR 91 9.951 -7.836 -27.196 731 HG21 THR 91 HG21 THR 91 7.939 -8.569 -24.367 732 HG22 THR 91 HG22 THR 91 7.880 -7.028 -25.255 733 HG23 THR 91 HG23 THR 91 7.914 -8.583 -26.130 734 H GLU 92 H GLU 92 12.355 -5.834 -24.648 735 HA GLU 92 HA GLU 92 14.468 -7.185 -23.201 736 HB2 GLU 92 HB2 GLU 92 15.842 -7.815 -25.094 737 HB3 GLU 92 HB3 GLU 92 14.317 -8.677 -25.156 738 HG2 GLU 92 HG2 GLU 92 13.485 -7.106 -26.892 739 HG3 GLU 92 HG3 GLU 92 15.006 -6.224 -26.830 740 H GLU 93 H GLU 93 16.662 -6.171 -24.092 741 HA GLU 93 HA GLU 93 18.094 -4.518 -24.429 742 HB2 GLU 93 HB2 GLU 93 16.831 -4.444 -26.571 743 HB3 GLU 93 HB3 GLU 93 15.898 -3.085 -25.940 744 HG2 GLU 93 HG2 GLU 93 17.958 -1.744 -25.724 745 HG3 GLU 93 HG3 GLU 93 18.925 -3.119 -26.247 746 H GLU 94 H GLU 94 15.056 -3.008 -23.350 747 HA GLU 94 HA GLU 94 16.626 -1.231 -21.507 748 HB2 GLU 94 HB2 GLU 94 14.133 -0.552 -23.103 749 HB3 GLU 94 HB3 GLU 94 14.863 0.508 -21.914 750 HG2 GLU 94 HG2 GLU 94 16.225 -0.416 -24.480 751 HG3 GLU 94 HG3 GLU 94 15.364 1.094 -24.274 752 H LEU 95 H LEU 95 14.663 -3.805 -21.462 753 HA LEU 95 HA LEU 95 12.504 -3.429 -19.803 754 HB2 LEU 95 HB2 LEU 95 13.289 -5.480 -20.988 755 HB3 LEU 95 HB3 LEU 95 14.481 -5.754 -19.740 756 HG LEU 95 HG LEU 95 11.458 -5.710 -19.264 757 HD11 LEU 95 HD11 LEU 95 13.365 -8.069 -19.626 758 HD12 LEU 95 HD12 LEU 95 11.636 -8.168 -19.223 759 HD13 LEU 95 HD13 LEU 95 12.137 -7.533 -20.791 760 HD21 LEU 95 HD21 LEU 95 12.071 -7.048 -17.214 761 HD22 LEU 95 HD22 LEU 95 13.775 -6.650 -17.505 762 HD23 LEU 95 HD23 LEU 95 12.588 -5.373 -17.138 763 H ARG 96 H ARG 96 15.804 -4.201 -18.576 764 HA ARG 96 HA ARG 96 15.112 -4.011 -15.802 765 HB2 ARG 96 HB2 ARG 96 17.822 -3.704 -17.166 766 HB3 ARG 96 HB3 ARG 96 17.575 -3.863 -15.422 767 HG2 ARG 96 HG2 ARG 96 16.471 -6.063 -15.776 768 HG3 ARG 96 HG3 ARG 96 16.810 -5.961 -17.504 769 HD2 ARG 96 HD2 ARG 96 18.925 -5.936 -15.314 770 HD3 ARG 96 HD3 ARG 96 18.420 -7.375 -16.212 771 HE ARG 96 HE ARG 96 19.139 -5.507 -18.165 772 HH11 ARG 96 HH11 ARG 96 20.841 -7.178 -15.586 773 HH12 ARG 96 HH12 ARG 96 22.371 -7.099 -16.430 774 HH21 ARG 96 HH21 ARG 96 21.113 -5.412 -19.155 775 HH22 ARG 96 HH22 ARG 96 22.515 -6.121 -18.394 776 H LYS 97 H LYS 97 16.381 -1.511 -17.982 777 HA LYS 97 HA LYS 97 16.717 0.549 -15.990 778 HB2 LYS 97 HB2 LYS 97 17.744 0.488 -18.278 779 HB3 LYS 97 HB3 LYS 97 16.156 0.836 -18.970 780 HG2 LYS 97 HG2 LYS 97 16.088 2.978 -17.650 781 HG3 LYS 97 HG3 LYS 97 17.726 2.646 -17.068 782 HD2 LYS 97 HD2 LYS 97 16.915 2.900 -19.995 783 HD3 LYS 97 HD3 LYS 97 17.583 4.224 -19.041 784 HE2 LYS 97 HE2 LYS 97 19.712 3.225 -18.855 785 HE3 LYS 97 HE3 LYS 97 19.108 1.619 -19.266 786 HZ1 LYS 97 HZ1 LYS 97 20.265 2.609 -21.145 787 HZ2 LYS 97 HZ2 LYS 97 18.701 2.330 -21.485 788 HZ3 LYS 97 HZ3 LYS 97 19.211 3.861 -21.194 789 H ALA 98 H ALA 98 13.978 -0.183 -18.190 790 HA ALA 98 HA ALA 98 12.218 1.849 -17.267 791 HB1 ALA 98 HB1 ALA 98 11.638 -0.940 -18.305 792 HB2 ALA 98 HB2 ALA 98 10.467 0.390 -18.205 793 HB3 ALA 98 HB3 ALA 98 11.862 0.514 -19.317 794 H VAL 99 H VAL 99 12.595 -1.569 -16.127 795 HA VAL 99 HA VAL 99 10.622 -1.456 -14.134 796 HB VAL 99 HB VAL 99 13.224 -3.048 -14.266 797 HG11 VAL 99 HG11 VAL 99 10.960 -3.405 -12.264 798 HG12 VAL 99 HG12 VAL 99 12.307 -4.542 -12.520 799 HG13 VAL 99 HG13 VAL 99 12.640 -2.931 -11.885 800 HG21 VAL 99 HG21 VAL 99 11.430 -3.637 -15.925 801 HG22 VAL 99 HG22 VAL 99 11.818 -4.946 -14.808 802 HG23 VAL 99 HG23 VAL 99 10.343 -3.992 -14.561 803 H ALA 100 H ALA 100 14.119 -0.773 -13.914 804 HA ALA 100 HA ALA 100 14.213 -0.094 -11.179 805 HB1 ALA 100 HB1 ALA 100 15.977 0.920 -13.455 806 HB2 ALA 100 HB2 ALA 100 16.377 0.972 -11.729 807 HB3 ALA 100 HB3 ALA 100 16.198 -0.596 -12.542 808 H LYS 101 H LYS 101 13.469 2.006 -13.959 809 HA LYS 101 HA LYS 101 13.455 4.513 -12.793 810 HB2 LYS 101 HB2 LYS 101 13.146 3.748 -15.238 811 HB3 LYS 101 HB3 LYS 101 11.448 3.512 -14.862 812 HG2 LYS 101 HG2 LYS 101 11.788 5.603 -15.997 813 HG3 LYS 101 HG3 LYS 101 11.251 5.953 -14.353 814 HD2 LYS 101 HD2 LYS 101 13.560 6.483 -13.681 815 HD3 LYS 101 HD3 LYS 101 14.162 5.965 -15.272 816 HE2 LYS 101 HE2 LYS 101 12.832 7.761 -16.351 817 HE3 LYS 101 HE3 LYS 101 12.237 8.274 -14.771 818 HZ1 LYS 101 HZ1 LYS 101 15.086 8.322 -15.598 819 HZ2 LYS 101 HZ2 LYS 101 14.118 9.627 -15.481 820 HZ3 LYS 101 HZ3 LYS 101 14.526 8.797 -14.142 821 H ALA 102 H ALA 102 11.054 2.017 -12.213 822 HA ALA 102 HA ALA 102 9.819 3.891 -10.224 823 HB1 ALA 102 HB1 ALA 102 8.529 2.046 -12.201 824 HB2 ALA 102 HB2 ALA 102 7.627 2.807 -10.862 825 HB3 ALA 102 HB3 ALA 102 8.356 3.834 -12.129 826 H ARG 103 H ARG 103 9.747 0.345 -11.118 827 HA ARG 103 HA ARG 103 8.745 -0.485 -8.565 828 HB2 ARG 103 HB2 ARG 103 8.754 -1.766 -10.716 829 HB3 ARG 103 HB3 ARG 103 10.453 -2.167 -10.398 830 HG2 ARG 103 HG2 ARG 103 9.866 -3.297 -8.300 831 HG3 ARG 103 HG3 ARG 103 8.230 -2.623 -8.355 832 HD2 ARG 103 HD2 ARG 103 7.920 -4.780 -9.058 833 HD3 ARG 103 HD3 ARG 103 7.936 -3.813 -10.554 834 HE ARG 103 HE ARG 103 10.582 -4.804 -9.973 835 HH11 ARG 103 HH11 ARG 103 7.512 -6.067 -11.138 836 HH12 ARG 103 HH12 ARG 103 8.289 -7.411 -11.949 837 HH21 ARG 103 HH21 ARG 103 11.479 -6.551 -11.001 838 HH22 ARG 103 HH22 ARG 103 10.458 -7.685 -11.848 839 H GLY 104 H GLY 104 11.919 0.150 -9.724 840 HA2 GLY 104 HA2 GLY 104 13.362 -0.660 -7.232 841 HA3 GLY 104 HA3 GLY 104 14.103 0.157 -8.612 842 H SER 105 H SER 105 12.740 2.391 -9.022 843 HA SER 105 HA SER 105 13.921 4.132 -7.170 844 HB2 SER 105 HB2 SER 105 11.640 4.659 -9.092 845 HB3 SER 105 HB3 SER 105 12.518 5.914 -8.204 846 HG SER 105 HG SER 105 13.704 4.049 -9.988 847 H TRP 106 H TRP 106 10.497 3.007 -7.162 848 HA TRP 106 HA TRP 106 9.475 4.702 -5.188 849 HB2 TRP 106 HB2 TRP 106 8.323 3.000 -6.702 850 HB3 TRP 106 HB3 TRP 106 8.737 1.771 -5.537 851 HD1 TRP 106 HD1 TRP 106 6.146 4.266 -6.367 852 HE1 TRP 106 HE1 TRP 106 4.491 4.669 -4.540 853 HE3 TRP 106 HE3 TRP 106 8.420 1.566 -2.643 854 HZ2 TRP 106 HZ2 TRP 106 4.259 4.134 -1.685 855 HZ3 TRP 106 HZ3 TRP 106 7.437 1.530 -0.381 856 HH2 TRP 106 HH2 TRP 106 5.397 2.859 0.138 857 H SER 107 H SER 107 11.080 1.527 -4.622 858 HA SER 107 HA SER 107 10.822 1.708 -1.726 859 HB2 SER 107 HB2 SER 107 12.280 -0.246 -1.715 860 HB3 SER 107 HB3 SER 107 10.877 -0.446 -2.789 861 HG SER 107 HG SER 107 12.825 -1.167 -3.757 862 H LEU 108 H LEU 108 12.907 3.098 -4.033 863 HA LEU 108 HA LEU 108 15.079 3.685 -2.154 864 HB2 LEU 108 HB2 LEU 108 14.658 3.545 -5.079 865 HB3 LEU 108 HB3 LEU 108 15.401 5.058 -4.616 866 HG LEU 108 HG LEU 108 17.212 3.816 -3.457 867 HD11 LEU 108 HD11 LEU 108 15.798 1.329 -4.509 868 HD12 LEU 108 HD12 LEU 108 17.434 1.369 -3.815 869 HD13 LEU 108 HD13 LEU 108 16.026 1.752 -2.804 870 HD21 LEU 108 HD21 LEU 108 17.382 4.414 -5.864 871 HD22 LEU 108 HD22 LEU 108 18.252 2.907 -5.507 872 HD23 LEU 108 HD23 LEU 108 16.651 2.852 -6.292 873 H GLU 109 H GLU 109 12.192 5.256 -3.387 874 HA GLU 109 HA GLU 109 13.036 7.968 -2.678 875 HB2 GLU 109 HB2 GLU 109 10.203 7.008 -3.247 876 HB3 GLU 109 HB3 GLU 109 10.812 8.659 -3.253 877 HG2 GLU 109 HG2 GLU 109 12.441 7.483 -5.147 878 HG3 GLU 109 HG3 GLU 109 10.960 6.542 -5.306 879 H HIS 110 H HIS 110 10.536 5.758 -1.351 880 HA HIS 110 HA HIS 110 9.763 7.549 0.714 881 HB2 HIS 110 HB2 HIS 110 8.245 5.912 1.381 882 HB3 HIS 110 HB3 HIS 110 8.438 5.592 -0.337 883 HD2 HIS 110 HD2 HIS 110 10.755 3.659 -0.608 884 HE1 HIS 110 HE1 HIS 110 9.421 1.474 2.799 885 HE2 HIS 110 HE2 HIS 110 10.967 1.429 0.778 886 H HIS 111 H HIS 111 12.483 5.560 0.593 887 HA HIS 111 HA HIS 111 12.624 4.623 3.311 888 HB2 HIS 111 HB2 HIS 111 13.513 3.609 1.184 889 HB3 HIS 111 HB3 HIS 111 14.858 4.741 1.290 890 HD2 HIS 111 HD2 HIS 111 16.848 3.466 2.210 891 HE1 HIS 111 HE1 HIS 111 14.982 1.008 5.154 892 HE2 HIS 111 HE2 HIS 111 17.210 1.643 4.108 893 H HIS 112 H HIS 112 13.775 7.588 1.861 894 HA HIS 112 HA HIS 112 15.231 9.238 2.547 895 HB2 HIS 112 HB2 HIS 112 13.158 8.988 4.721 896 HB3 HIS 112 HB3 HIS 112 14.305 10.325 4.663 897 HD2 HIS 112 HD2 HIS 112 11.294 8.949 2.754 898 HE1 HIS 112 HE1 HIS 112 12.163 12.771 1.088 899 HE2 HIS 112 HE2 HIS 112 10.504 10.845 1.100 900 H HIS 113 H HIS 113 16.778 7.083 2.888 901 HA HIS 113 HA HIS 113 17.743 6.738 5.589 902 HB2 HIS 113 HB2 HIS 113 17.607 5.036 3.716 903 HB3 HIS 113 HB3 HIS 113 19.034 5.790 3.010 904 HD2 HIS 113 HD2 HIS 113 18.128 4.525 6.618 905 HE1 HIS 113 HE1 HIS 113 21.888 2.825 5.570 906 HE2 HIS 113 HE2 HIS 113 20.120 2.988 7.388 907 H HIS 114 H HIS 114 18.288 9.339 3.721 908 HA HIS 114 HA HIS 114 20.965 9.918 3.510 909 HB2 HIS 114 HB2 HIS 114 18.759 11.829 4.369 910 HB3 HIS 114 HB3 HIS 114 20.267 12.262 3.570 911 HD2 HIS 114 HD2 HIS 114 20.296 12.168 0.938 912 HE1 HIS 114 HE1 HIS 114 16.462 10.428 0.291 913 HE2 HIS 114 HE2 HIS 114 18.466 11.512 -0.835 914 H HIS 115 H HIS 115 22.641 10.359 4.800 915 HA HIS 115 HA HIS 115 22.353 11.173 7.631 916 HB2 HIS 115 HB2 HIS 115 22.150 8.674 7.575 917 HB3 HIS 115 HB3 HIS 115 23.716 8.581 6.775 918 HD2 HIS 115 HD2 HIS 115 22.197 9.873 10.131 919 HE1 HIS 115 HE1 HIS 115 26.185 8.606 10.928 920 HE2 HIS 115 HE2 HIS 115 24.046 9.495 11.972 Start of MODEL 13 1 H1 MET 1 H1 MET 1 1.337 -1.050 0.237 2 H2 MET 1 H2 MET 1 2.520 0.033 0.559 3 H3 MET 1 H3 MET 1 2.841 -1.291 -0.365 4 HA MET 1 HA MET 1 1.012 0.900 -1.075 5 HB2 MET 1 HB2 MET 1 2.563 1.724 -2.627 6 HB3 MET 1 HB3 MET 1 3.455 1.510 -1.135 7 HG2 MET 1 HG2 MET 1 3.558 -0.324 -3.576 8 HG3 MET 1 HG3 MET 1 4.736 0.890 -3.139 9 HE1 MET 1 HE1 MET 1 6.718 -0.762 -3.404 10 HE2 MET 1 HE2 MET 1 6.775 -2.371 -2.652 11 HE3 MET 1 HE3 MET 1 5.565 -2.023 -3.903 12 H ARG 2 H ARG 2 -0.144 0.653 -3.108 13 HA ARG 2 HA ARG 2 -0.482 -2.152 -3.874 14 HB2 ARG 2 HB2 ARG 2 -2.399 -0.470 -3.715 15 HB3 ARG 2 HB3 ARG 2 -1.777 0.227 -5.204 16 HG2 ARG 2 HG2 ARG 2 -2.071 -1.890 -6.406 17 HG3 ARG 2 HG3 ARG 2 -2.385 -2.767 -4.908 18 HD2 ARG 2 HD2 ARG 2 -4.184 -0.704 -6.184 19 HD3 ARG 2 HD3 ARG 2 -4.391 -2.459 -6.276 20 HE ARG 2 HE ARG 2 -5.026 -0.684 -4.060 21 HH11 ARG 2 HH11 ARG 2 -4.946 -4.109 -4.975 22 HH12 ARG 2 HH12 ARG 2 -5.399 -4.605 -3.379 23 HH21 ARG 2 HH21 ARG 2 -5.767 -1.443 -2.111 24 HH22 ARG 2 HH22 ARG 2 -6.001 -3.155 -1.875 25 H VAL 3 H VAL 3 0.006 -3.138 -5.706 26 HA VAL 3 HA VAL 3 1.812 -1.811 -7.689 27 HB VAL 3 HB VAL 3 1.939 -4.627 -6.503 28 HG11 VAL 3 HG11 VAL 3 3.643 -3.326 -8.700 29 HG12 VAL 3 HG12 VAL 3 4.020 -4.860 -7.886 30 HG13 VAL 3 HG13 VAL 3 2.586 -4.743 -8.892 31 HG21 VAL 3 HG21 VAL 3 3.861 -2.268 -6.369 32 HG22 VAL 3 HG22 VAL 3 2.906 -2.931 -5.027 33 HG23 VAL 3 HG23 VAL 3 4.194 -3.898 -5.753 34 H ILE 4 H ILE 4 1.402 -2.191 -9.810 35 HA ILE 4 HA ILE 4 -0.607 -4.229 -10.610 36 HB ILE 4 HB ILE 4 -0.735 -1.291 -11.196 37 HG12 ILE 4 HG12 ILE 4 -2.467 -3.487 -10.008 38 HG13 ILE 4 HG13 ILE 4 -2.048 -1.937 -9.305 39 HG21 ILE 4 HG21 ILE 4 -0.833 -2.355 -13.375 40 HG22 ILE 4 HG22 ILE 4 -2.117 -3.472 -12.790 41 HG23 ILE 4 HG23 ILE 4 -2.393 -1.716 -12.957 42 HD11 ILE 4 HD11 ILE 4 -4.122 -2.556 -11.437 43 HD12 ILE 4 HD12 ILE 4 -4.364 -1.834 -9.828 44 HD13 ILE 4 HD13 ILE 4 -3.526 -0.911 -11.102 45 H VAL 5 H VAL 5 -0.270 -5.112 -12.529 46 HA VAL 5 HA VAL 5 1.970 -4.111 -14.188 47 HB VAL 5 HB VAL 5 1.537 -7.062 -13.708 48 HG11 VAL 5 HG11 VAL 5 3.719 -5.546 -15.222 49 HG12 VAL 5 HG12 VAL 5 3.617 -7.309 -15.004 50 HG13 VAL 5 HG13 VAL 5 2.412 -6.473 -15.981 51 HG21 VAL 5 HG21 VAL 5 2.559 -6.091 -11.703 52 HG22 VAL 5 HG22 VAL 5 3.754 -7.020 -12.615 53 HG23 VAL 5 HG23 VAL 5 3.769 -5.247 -12.689 54 H VAL 6 H VAL 6 1.116 -3.423 -16.006 55 HA VAL 6 HA VAL 6 -1.286 -4.854 -17.125 56 HB VAL 6 HB VAL 6 -0.381 -2.069 -17.865 57 HG11 VAL 6 HG11 VAL 6 -2.793 -2.039 -18.738 58 HG12 VAL 6 HG12 VAL 6 -1.659 -3.043 -19.643 59 HG13 VAL 6 HG13 VAL 6 -2.805 -3.797 -18.514 60 HG21 VAL 6 HG21 VAL 6 -1.127 -1.933 -15.573 61 HG22 VAL 6 HG22 VAL 6 -2.466 -1.375 -16.572 62 HG23 VAL 6 HG23 VAL 6 -2.508 -3.015 -15.889 63 H ILE 7 H ILE 7 -1.162 -5.717 -19.173 64 HA ILE 7 HA ILE 7 1.433 -5.437 -20.676 65 HB ILE 7 HB ILE 7 -0.094 -8.024 -20.380 66 HG12 ILE 7 HG12 ILE 7 2.122 -8.688 -19.130 67 HG13 ILE 7 HG13 ILE 7 2.273 -6.967 -18.799 68 HG21 ILE 7 HG21 ILE 7 2.139 -8.871 -21.321 69 HG22 ILE 7 HG22 ILE 7 1.081 -7.988 -22.418 70 HG23 ILE 7 HG23 ILE 7 2.505 -7.191 -21.718 71 HD11 ILE 7 HD11 ILE 7 -0.192 -8.613 -18.023 72 HD12 ILE 7 HD12 ILE 7 1.213 -8.441 -16.979 73 HD13 ILE 7 HD13 ILE 7 0.278 -7.008 -17.422 74 H VAL 8 H VAL 8 1.251 -4.829 -22.736 75 HA VAL 8 HA VAL 8 -1.315 -4.685 -24.099 76 HB VAL 8 HB VAL 8 1.511 -4.452 -25.213 77 HG11 VAL 8 HG11 VAL 8 0.345 -3.268 -27.101 78 HG12 VAL 8 HG12 VAL 8 -0.050 -4.985 -27.010 79 HG13 VAL 8 HG13 VAL 8 -1.215 -3.776 -26.415 80 HG21 VAL 8 HG21 VAL 8 0.990 -2.017 -25.246 81 HG22 VAL 8 HG22 VAL 8 -0.524 -2.340 -24.370 82 HG23 VAL 8 HG23 VAL 8 1.042 -2.659 -23.602 83 H GLY 9 H GLY 9 -2.380 -6.561 -24.546 84 HA2 GLY 9 HA2 GLY 9 -1.439 -8.453 -26.362 85 HA3 GLY 9 HA3 GLY 9 -1.153 -9.136 -24.753 86 HA PRO 10 HA PRO 10 -1.741 -11.247 -25.347 87 HB2 PRO 10 HB2 PRO 10 -2.869 -13.191 -26.946 88 HB3 PRO 10 HB3 PRO 10 -3.162 -13.002 -25.198 89 HG2 PRO 10 HG2 PRO 10 -4.874 -12.024 -27.489 90 HG3 PRO 10 HG3 PRO 10 -5.380 -12.864 -25.986 91 HD2 PRO 10 HD2 PRO 10 -5.542 -10.147 -26.254 92 HD3 PRO 10 HD3 PRO 10 -5.146 -10.923 -24.696 93 H SER 11 H SER 11 -3.408 -11.218 -28.499 94 HA SER 11 HA SER 11 -1.195 -11.425 -30.127 95 HB2 SER 11 HB2 SER 11 -3.733 -9.906 -30.811 96 HB3 SER 11 HB3 SER 11 -2.614 -10.688 -31.946 97 HG SER 11 HG SER 11 -4.432 -12.007 -31.466 98 H GLY 12 H GLY 12 -2.218 -8.495 -28.545 99 HA2 GLY 12 HA2 GLY 12 -0.969 -6.483 -30.067 100 HA3 GLY 12 HA3 GLY 12 -1.237 -6.445 -28.330 101 H ALA 13 H ALA 13 0.604 -8.832 -27.862 102 HA ALA 13 HA ALA 13 3.225 -7.846 -28.829 103 HB1 ALA 13 HB1 ALA 13 2.772 -6.644 -26.652 104 HB2 ALA 13 HB2 ALA 13 2.737 -8.212 -25.838 105 HB3 ALA 13 HB3 ALA 13 4.218 -7.662 -26.625 106 H GLY 14 H GLY 14 1.330 -10.646 -27.756 107 HA2 GLY 14 HA2 GLY 14 3.022 -12.543 -28.896 108 HA3 GLY 14 HA3 GLY 14 3.637 -12.338 -27.262 109 H LYS 15 H LYS 15 3.176 -14.309 -26.513 110 HA LYS 15 HA LYS 15 0.396 -14.857 -25.720 111 HB2 LYS 15 HB2 LYS 15 0.498 -17.240 -26.472 112 HB3 LYS 15 HB3 LYS 15 0.356 -16.039 -27.761 113 HG2 LYS 15 HG2 LYS 15 2.720 -16.286 -28.332 114 HG3 LYS 15 HG3 LYS 15 2.984 -17.361 -26.960 115 HD2 LYS 15 HD2 LYS 15 2.908 -18.601 -29.003 116 HD3 LYS 15 HD3 LYS 15 1.572 -19.089 -27.977 117 HE2 LYS 15 HE2 LYS 15 1.129 -16.959 -30.083 118 HE3 LYS 15 HE3 LYS 15 1.325 -18.623 -30.605 119 HZ1 LYS 15 HZ1 LYS 15 -0.754 -17.730 -28.689 120 HZ2 LYS 15 HZ2 LYS 15 -1.003 -18.131 -30.243 121 HZ3 LYS 15 HZ3 LYS 15 -0.524 -19.270 -29.189 122 H THR 16 H THR 16 3.776 -15.997 -25.466 123 HA THR 16 HA THR 16 3.199 -17.294 -22.891 124 HB THR 16 HB THR 16 5.808 -16.990 -24.397 125 HG1 THR 16 HG1 THR 16 5.299 -19.071 -25.125 126 HG21 THR 16 HG21 THR 16 4.930 -18.957 -22.231 127 HG22 THR 16 HG22 THR 16 6.440 -19.079 -23.166 128 HG23 THR 16 HG23 THR 16 6.192 -17.714 -22.078 129 H THR 17 H THR 17 5.008 -14.414 -23.987 130 HA THR 17 HA THR 17 6.383 -13.833 -21.609 131 HB THR 17 HB THR 17 6.872 -12.743 -23.713 132 HG1 THR 17 HG1 THR 17 7.598 -11.638 -21.976 133 HG21 THR 17 HG21 THR 17 4.477 -10.915 -23.341 134 HG22 THR 17 HG22 THR 17 5.613 -11.002 -24.702 135 HG23 THR 17 HG23 THR 17 4.445 -12.311 -24.432 136 H LEU 18 H LEU 18 3.224 -12.408 -22.553 137 HA LEU 18 HA LEU 18 2.593 -11.113 -20.128 138 HB2 LEU 18 HB2 LEU 18 0.353 -11.024 -21.010 139 HB3 LEU 18 HB3 LEU 18 1.529 -10.782 -22.288 140 HG LEU 18 HG LEU 18 1.150 -13.448 -22.658 141 HD11 LEU 18 HD11 LEU 18 -1.564 -12.451 -21.677 142 HD12 LEU 18 HD12 LEU 18 -1.203 -14.024 -22.416 143 HD13 LEU 18 HD13 LEU 18 -0.570 -13.638 -20.811 144 HD21 LEU 18 HD21 LEU 18 0.901 -11.703 -24.340 145 HD22 LEU 18 HD22 LEU 18 -0.487 -12.800 -24.388 146 HD23 LEU 18 HD23 LEU 18 -0.634 -11.201 -23.597 147 H ASP 19 H ASP 19 2.600 -14.454 -20.790 148 HA ASP 19 HA ASP 19 0.564 -15.249 -18.803 149 HB2 ASP 19 HB2 ASP 19 1.420 -16.358 -21.080 150 HB3 ASP 19 HB3 ASP 19 2.547 -17.175 -20.027 151 H GLU 20 H GLU 20 4.035 -15.990 -19.291 152 HA GLU 20 HA GLU 20 4.523 -16.829 -16.659 153 HB2 GLU 20 HB2 GLU 20 6.826 -16.801 -17.158 154 HB3 GLU 20 HB3 GLU 20 5.997 -17.248 -18.639 155 HG2 GLU 20 HG2 GLU 20 6.342 -15.022 -19.577 156 HG3 GLU 20 HG3 GLU 20 7.018 -14.429 -18.062 157 H LEU 21 H LEU 21 4.355 -13.615 -18.051 158 HA LEU 21 HA LEU 21 5.468 -12.143 -15.796 159 HB2 LEU 21 HB2 LEU 21 3.815 -11.523 -18.226 160 HB3 LEU 21 HB3 LEU 21 3.731 -10.386 -16.924 161 HG LEU 21 HG LEU 21 5.407 -10.061 -18.870 162 HD11 LEU 21 HD11 LEU 21 6.854 -8.743 -17.356 163 HD12 LEU 21 HD12 LEU 21 5.162 -8.602 -16.856 164 HD13 LEU 21 HD13 LEU 21 6.252 -9.671 -15.956 165 HD21 LEU 21 HD21 LEU 21 7.223 -11.684 -17.031 166 HD22 LEU 21 HD22 LEU 21 6.728 -12.146 -18.671 167 HD23 LEU 21 HD23 LEU 21 7.710 -10.698 -18.432 168 H ALA 22 H ALA 22 1.994 -12.633 -16.764 169 HA ALA 22 HA ALA 22 0.934 -11.633 -14.395 170 HB1 ALA 22 HB1 ALA 22 -0.373 -12.019 -16.424 171 HB2 ALA 22 HB2 ALA 22 -0.214 -13.780 -16.224 172 HB3 ALA 22 HB3 ALA 22 -1.121 -12.813 -15.033 173 H ARG 23 H ARG 23 1.867 -14.985 -15.092 174 HA ARG 23 HA ARG 23 1.015 -16.210 -12.660 175 HB2 ARG 23 HB2 ARG 23 3.163 -16.936 -14.690 176 HB3 ARG 23 HB3 ARG 23 2.715 -17.979 -13.338 177 HG2 ARG 23 HG2 ARG 23 0.544 -18.388 -14.174 178 HG3 ARG 23 HG3 ARG 23 0.562 -16.976 -15.211 179 HD2 ARG 23 HD2 ARG 23 0.708 -18.838 -16.611 180 HD3 ARG 23 HD3 ARG 23 2.291 -18.053 -16.664 181 HE ARG 23 HE ARG 23 2.584 -19.990 -14.713 182 HH11 ARG 23 HH11 ARG 23 1.547 -20.126 -18.086 183 HH12 ARG 23 HH12 ARG 23 2.048 -21.786 -18.259 184 HH21 ARG 23 HH21 ARG 23 3.226 -22.107 -15.034 185 HH22 ARG 23 HH22 ARG 23 2.987 -22.861 -16.589 186 H LYS 24 H LYS 24 4.393 -15.220 -13.527 187 HA LYS 24 HA LYS 24 5.381 -15.766 -10.889 188 HB2 LYS 24 HB2 LYS 24 6.534 -14.114 -13.163 189 HB3 LYS 24 HB3 LYS 24 7.349 -14.337 -11.614 190 HG2 LYS 24 HG2 LYS 24 7.300 -16.773 -11.855 191 HG3 LYS 24 HG3 LYS 24 6.477 -16.644 -13.413 192 HD2 LYS 24 HD2 LYS 24 9.228 -15.444 -12.840 193 HD3 LYS 24 HD3 LYS 24 8.965 -17.064 -13.496 194 HE2 LYS 24 HE2 LYS 24 7.684 -16.072 -15.390 195 HE3 LYS 24 HE3 LYS 24 8.068 -14.458 -14.811 196 HZ1 LYS 24 HZ1 LYS 24 10.143 -16.466 -15.490 197 HZ2 LYS 24 HZ2 LYS 24 9.585 -15.402 -16.568 198 HZ3 LYS 24 HZ3 LYS 24 10.378 -14.863 -15.244 199 H ALA 25 H ALA 25 4.365 -12.632 -12.334 200 HA ALA 25 HA ALA 25 4.871 -11.020 -10.016 201 HB1 ALA 25 HB1 ALA 25 2.707 -10.669 -12.126 202 HB2 ALA 25 HB2 ALA 25 3.341 -9.443 -11.002 203 HB3 ALA 25 HB3 ALA 25 4.387 -10.112 -12.271 204 H LYS 26 H LYS 26 1.551 -12.448 -10.913 205 HA LYS 26 HA LYS 26 0.611 -11.665 -8.389 206 HB2 LYS 26 HB2 LYS 26 -0.723 -12.403 -10.486 207 HB3 LYS 26 HB3 LYS 26 -0.492 -14.055 -9.900 208 HG2 LYS 26 HG2 LYS 26 -2.541 -13.544 -8.921 209 HG3 LYS 26 HG3 LYS 26 -1.455 -13.089 -7.623 210 HD2 LYS 26 HD2 LYS 26 -1.558 -10.695 -8.864 211 HD3 LYS 26 HD3 LYS 26 -3.104 -11.370 -9.434 212 HE2 LYS 26 HE2 LYS 26 -3.143 -12.079 -6.787 213 HE3 LYS 26 HE3 LYS 26 -2.112 -10.643 -6.730 214 HZ1 LYS 26 HZ1 LYS 26 -4.504 -10.153 -6.382 215 HZ2 LYS 26 HZ2 LYS 26 -3.863 -9.353 -7.642 216 HZ3 LYS 26 HZ3 LYS 26 -4.849 -10.650 -7.901 217 H GLU 27 H GLU 27 2.343 -14.687 -9.181 218 HA GLU 27 HA GLU 27 1.923 -15.992 -6.654 219 HB2 GLU 27 HB2 GLU 27 4.079 -16.129 -8.763 220 HB3 GLU 27 HB3 GLU 27 4.300 -16.929 -7.209 221 HG2 GLU 27 HG2 GLU 27 2.246 -18.236 -7.514 222 HG3 GLU 27 HG3 GLU 27 1.873 -17.374 -8.998 223 H GLU 28 H GLU 28 4.537 -13.705 -7.604 224 HA GLU 28 HA GLU 28 5.590 -13.723 -4.856 225 HB2 GLU 28 HB2 GLU 28 7.448 -12.581 -5.667 226 HB3 GLU 28 HB3 GLU 28 7.029 -13.773 -6.889 227 HG2 GLU 28 HG2 GLU 28 5.834 -11.840 -8.136 228 HG3 GLU 28 HG3 GLU 28 6.578 -10.770 -6.969 229 H VAL 29 H VAL 29 3.438 -11.734 -6.612 230 HA VAL 29 HA VAL 29 3.050 -9.906 -4.317 231 HB VAL 29 HB VAL 29 2.723 -7.990 -5.715 232 HG11 VAL 29 HG11 VAL 29 5.488 -9.118 -6.241 233 HG12 VAL 29 HG12 VAL 29 5.028 -7.420 -6.133 234 HG13 VAL 29 HG13 VAL 29 4.967 -8.434 -4.671 235 HG21 VAL 29 HG21 VAL 29 2.370 -9.249 -7.944 236 HG22 VAL 29 HG22 VAL 29 3.403 -7.790 -7.987 237 HG23 VAL 29 HG23 VAL 29 4.133 -9.409 -7.990 238 HA PRO 30 HA PRO 30 -0.893 -11.948 -5.570 239 HB2 PRO 30 HB2 PRO 30 -1.604 -12.707 -3.021 240 HB3 PRO 30 HB3 PRO 30 -0.555 -13.690 -4.094 241 HG2 PRO 30 HG2 PRO 30 0.234 -11.754 -1.902 242 HG3 PRO 30 HG3 PRO 30 0.852 -13.417 -2.172 243 HD2 PRO 30 HD2 PRO 30 2.206 -11.211 -3.061 244 HD3 PRO 30 HD3 PRO 30 2.161 -12.712 -4.036 245 H ASP 31 H ASP 31 0.089 -9.281 -3.827 246 HA ASP 31 HA ASP 31 -2.578 -8.237 -3.043 247 HB2 ASP 31 HB2 ASP 31 -0.356 -7.994 -1.738 248 HB3 ASP 31 HB3 ASP 31 0.148 -6.884 -2.991 249 H ALA 32 H ALA 32 -0.291 -8.143 -5.626 250 HA ALA 32 HA ALA 32 -1.007 -5.571 -6.715 251 HB1 ALA 32 HB1 ALA 32 0.560 -7.870 -7.970 252 HB2 ALA 32 HB2 ALA 32 0.641 -6.167 -8.444 253 HB3 ALA 32 HB3 ALA 32 1.261 -6.681 -6.849 254 H GLU 33 H GLU 33 -1.695 -5.365 -9.084 255 HA GLU 33 HA GLU 33 -3.723 -7.484 -9.775 256 HB2 GLU 33 HB2 GLU 33 -4.118 -4.740 -10.805 257 HB3 GLU 33 HB3 GLU 33 -5.278 -5.956 -10.383 258 HG2 GLU 33 HG2 GLU 33 -3.709 -4.263 -8.369 259 HG3 GLU 33 HG3 GLU 33 -5.302 -3.898 -8.981 260 H ILE 34 H ILE 34 -2.969 -8.685 -11.393 261 HA ILE 34 HA ILE 34 -1.430 -7.359 -13.520 262 HB ILE 34 HB ILE 34 -1.582 -10.336 -13.227 263 HG12 ILE 34 HG12 ILE 34 -1.160 -9.731 -10.949 264 HG13 ILE 34 HG13 ILE 34 0.218 -10.465 -11.685 265 HG21 ILE 34 HG21 ILE 34 0.067 -8.306 -14.626 266 HG22 ILE 34 HG22 ILE 34 0.980 -9.616 -13.886 267 HG23 ILE 34 HG23 ILE 34 -0.336 -9.953 -15.051 268 HD11 ILE 34 HD11 ILE 34 -0.037 -7.448 -11.234 269 HD12 ILE 34 HD12 ILE 34 0.764 -8.610 -10.154 270 HD13 ILE 34 HD13 ILE 34 1.392 -8.328 -11.804 271 H ARG 35 H ARG 35 -2.293 -6.998 -15.423 272 HA ARG 35 HA ARG 35 -4.340 -8.786 -16.583 273 HB2 ARG 35 HB2 ARG 35 -5.938 -6.941 -17.069 274 HB3 ARG 35 HB3 ARG 35 -5.844 -7.340 -15.383 275 HG2 ARG 35 HG2 ARG 35 -4.266 -5.018 -16.537 276 HG3 ARG 35 HG3 ARG 35 -5.957 -4.933 -15.987 277 HD2 ARG 35 HD2 ARG 35 -4.865 -6.158 -13.845 278 HD3 ARG 35 HD3 ARG 35 -3.479 -5.276 -14.387 279 HE ARG 35 HE ARG 35 -4.850 -3.166 -14.142 280 HH11 ARG 35 HH11 ARG 35 -6.569 -5.980 -12.836 281 HH12 ARG 35 HH12 ARG 35 -7.682 -4.889 -12.014 282 HH21 ARG 35 HH21 ARG 35 -6.383 -1.997 -13.022 283 HH22 ARG 35 HH22 ARG 35 -7.501 -2.902 -12.011 284 H THR 36 H THR 36 -5.098 -8.045 -18.794 285 HA THR 36 HA THR 36 -2.901 -6.684 -20.241 286 HB THR 36 HB THR 36 -2.859 -8.268 -22.014 287 HG1 THR 36 HG1 THR 36 -4.835 -8.979 -22.362 288 HG21 THR 36 HG21 THR 36 -1.890 -10.119 -21.080 289 HG22 THR 36 HG22 THR 36 -1.824 -9.037 -19.689 290 HG23 THR 36 HG23 THR 36 -3.089 -10.265 -19.775 291 H VAL 37 H VAL 37 -3.402 -5.845 -22.339 292 HA VAL 37 HA VAL 37 -6.242 -5.156 -22.948 293 HB VAL 37 HB VAL 37 -6.123 -3.011 -22.625 294 HG11 VAL 37 HG11 VAL 37 -3.676 -3.462 -20.959 295 HG12 VAL 37 HG12 VAL 37 -4.719 -2.019 -20.993 296 HG13 VAL 37 HG13 VAL 37 -5.403 -3.569 -20.459 297 HG21 VAL 37 HG21 VAL 37 -3.346 -2.940 -23.725 298 HG22 VAL 37 HG22 VAL 37 -4.939 -2.363 -24.379 299 HG23 VAL 37 HG23 VAL 37 -4.160 -1.545 -23.013 300 H THR 38 H THR 38 -6.692 -4.785 -24.985 301 HA THR 38 HA THR 38 -4.496 -5.237 -27.008 302 HB THR 38 HB THR 38 -5.969 -7.177 -26.562 303 HG1 THR 38 HG1 THR 38 -6.296 -7.599 -28.759 304 HG21 THR 38 HG21 THR 38 -8.143 -5.606 -27.999 305 HG22 THR 38 HG22 THR 38 -8.247 -7.243 -27.308 306 HG23 THR 38 HG23 THR 38 -8.090 -5.837 -26.244 307 H THR 39 H THR 39 -6.966 -3.109 -26.059 308 HA THR 39 HA THR 39 -6.771 -1.372 -28.452 309 HB THR 39 HB THR 39 -9.390 -1.281 -28.273 310 HG1 THR 39 HG1 THR 39 -10.212 -3.381 -27.709 311 HG21 THR 39 HG21 THR 39 -8.219 -3.789 -29.517 312 HG22 THR 39 HG22 THR 39 -9.757 -2.980 -29.915 313 HG23 THR 39 HG23 THR 39 -8.226 -2.164 -30.253 314 H LYS 40 H LYS 40 -8.006 0.619 -28.150 315 HA LYS 40 HA LYS 40 -7.144 2.027 -25.931 316 HB2 LYS 40 HB2 LYS 40 -8.379 3.846 -26.759 317 HB3 LYS 40 HB3 LYS 40 -7.920 2.933 -28.177 318 HG2 LYS 40 HG2 LYS 40 -10.661 3.027 -26.847 319 HG3 LYS 40 HG3 LYS 40 -10.181 3.863 -28.319 320 HD2 LYS 40 HD2 LYS 40 -9.938 1.702 -29.503 321 HD3 LYS 40 HD3 LYS 40 -10.443 0.839 -28.034 322 HE2 LYS 40 HE2 LYS 40 -12.563 2.196 -28.036 323 HE3 LYS 40 HE3 LYS 40 -12.081 2.861 -29.596 324 HZ1 LYS 40 HZ1 LYS 40 -12.070 0.517 -30.432 325 HZ2 LYS 40 HZ2 LYS 40 -12.702 0.014 -29.007 326 HZ3 LYS 40 HZ3 LYS 40 -13.540 1.019 -29.956 327 H GLU 41 H GLU 41 -10.057 0.214 -26.254 328 HA GLU 41 HA GLU 41 -11.500 1.333 -23.990 329 HB2 GLU 41 HB2 GLU 41 -13.100 -0.524 -24.481 330 HB3 GLU 41 HB3 GLU 41 -12.696 0.481 -25.884 331 HG2 GLU 41 HG2 GLU 41 -11.082 -1.228 -26.647 332 HG3 GLU 41 HG3 GLU 41 -11.563 -2.288 -25.329 333 H ASP 42 H ASP 42 -9.642 -1.673 -24.577 334 HA ASP 42 HA ASP 42 -9.957 -2.735 -21.916 335 HB2 ASP 42 HB2 ASP 42 -7.923 -3.216 -24.110 336 HB3 ASP 42 HB3 ASP 42 -7.939 -4.012 -22.563 337 H ALA 43 H ALA 43 -7.537 -0.622 -23.414 338 HA ALA 43 HA ALA 43 -5.909 -0.359 -21.047 339 HB1 ALA 43 HB1 ALA 43 -6.372 1.424 -23.474 340 HB2 ALA 43 HB2 ALA 43 -5.190 1.781 -22.178 341 HB3 ALA 43 HB3 ALA 43 -5.024 0.303 -23.134 342 H LYS 44 H LYS 44 -8.729 1.481 -22.223 343 HA LYS 44 HA LYS 44 -8.719 3.362 -20.066 344 HB2 LYS 44 HB2 LYS 44 -9.935 3.808 -22.100 345 HB3 LYS 44 HB3 LYS 44 -11.080 2.489 -21.771 346 HG2 LYS 44 HG2 LYS 44 -12.059 3.596 -19.979 347 HG3 LYS 44 HG3 LYS 44 -10.613 4.546 -19.614 348 HD2 LYS 44 HD2 LYS 44 -11.002 5.831 -21.745 349 HD3 LYS 44 HD3 LYS 44 -12.604 5.076 -21.837 350 HE2 LYS 44 HE2 LYS 44 -11.499 6.690 -19.491 351 HE3 LYS 44 HE3 LYS 44 -12.575 7.337 -20.716 352 HZ1 LYS 44 HZ1 LYS 44 -13.816 6.677 -18.750 353 HZ2 LYS 44 HZ2 LYS 44 -14.271 5.715 -19.990 354 HZ3 LYS 44 HZ3 LYS 44 -13.284 5.154 -18.824 355 H ARG 45 H ARG 45 -10.523 0.330 -20.439 356 HA ARG 45 HA ARG 45 -11.913 0.103 -18.003 357 HB2 ARG 45 HB2 ARG 45 -12.309 -1.263 -19.932 358 HB3 ARG 45 HB3 ARG 45 -10.649 -1.826 -19.963 359 HG2 ARG 45 HG2 ARG 45 -11.060 -3.112 -17.848 360 HG3 ARG 45 HG3 ARG 45 -12.774 -2.642 -17.969 361 HD2 ARG 45 HD2 ARG 45 -12.888 -3.667 -20.226 362 HD3 ARG 45 HD3 ARG 45 -11.178 -3.995 -20.202 363 HE ARG 45 HE ARG 45 -11.477 -5.809 -18.745 364 HH11 ARG 45 HH11 ARG 45 -14.584 -4.241 -19.177 365 HH12 ARG 45 HH12 ARG 45 -15.464 -5.592 -18.497 366 HH21 ARG 45 HH21 ARG 45 -12.638 -7.478 -17.890 367 HH22 ARG 45 HH22 ARG 45 -14.380 -7.364 -17.772 368 H VAL 46 H VAL 46 -8.704 -1.356 -18.739 369 HA VAL 46 HA VAL 46 -8.230 -2.332 -16.125 370 HB VAL 46 HB VAL 46 -6.553 -1.640 -18.581 371 HG11 VAL 46 HG11 VAL 46 -5.528 -2.638 -15.954 372 HG12 VAL 46 HG12 VAL 46 -4.699 -2.924 -17.521 373 HG13 VAL 46 HG13 VAL 46 -4.973 -1.272 -16.960 374 HG21 VAL 46 HG21 VAL 46 -7.939 -3.607 -18.866 375 HG22 VAL 46 HG22 VAL 46 -6.315 -4.227 -18.519 376 HG23 VAL 46 HG23 VAL 46 -7.569 -4.204 -17.254 377 H ALA 47 H ALA 47 -7.364 0.822 -17.603 378 HA ALA 47 HA ALA 47 -5.831 1.536 -15.266 379 HB1 ALA 47 HB1 ALA 47 -6.849 3.326 -17.495 380 HB2 ALA 47 HB2 ALA 47 -5.397 3.539 -16.441 381 HB3 ALA 47 HB3 ALA 47 -5.451 2.263 -17.668 382 H GLU 48 H GLU 48 -9.051 2.617 -16.527 383 HA GLU 48 HA GLU 48 -9.737 4.274 -14.333 384 HB2 GLU 48 HB2 GLU 48 -11.893 4.319 -15.157 385 HB3 GLU 48 HB3 GLU 48 -10.866 4.171 -16.586 386 HG2 GLU 48 HG2 GLU 48 -11.329 1.665 -16.518 387 HG3 GLU 48 HG3 GLU 48 -12.422 1.934 -15.205 388 H GLU 49 H GLU 49 -9.530 0.784 -14.573 389 HA GLU 49 HA GLU 49 -11.004 0.284 -12.085 390 HB2 GLU 49 HB2 GLU 49 -10.200 -1.492 -14.069 391 HB3 GLU 49 HB3 GLU 49 -8.863 -1.615 -12.998 392 HG2 GLU 49 HG2 GLU 49 -10.764 -1.841 -11.108 393 HG3 GLU 49 HG3 GLU 49 -11.734 -2.351 -12.491 394 H ALA 50 H ALA 50 -7.534 0.415 -13.028 395 HA ALA 50 HA ALA 50 -6.414 -0.079 -10.476 396 HB1 ALA 50 HB1 ALA 50 -5.414 1.517 -12.825 397 HB2 ALA 50 HB2 ALA 50 -4.412 1.083 -11.438 398 HB3 ALA 50 HB3 ALA 50 -5.084 -0.203 -12.482 399 H GLU 51 H GLU 51 -7.710 2.984 -11.767 400 HA GLU 51 HA GLU 51 -6.550 4.508 -9.540 401 HB2 GLU 51 HB2 GLU 51 -7.603 6.427 -10.420 402 HB3 GLU 51 HB3 GLU 51 -7.025 5.465 -11.800 403 HG2 GLU 51 HG2 GLU 51 -9.258 4.738 -12.318 404 HG3 GLU 51 HG3 GLU 51 -9.907 5.415 -10.825 405 H ARG 52 H ARG 52 -9.234 2.549 -9.840 406 HA ARG 52 HA ARG 52 -10.937 3.750 -7.743 407 HB2 ARG 52 HB2 ARG 52 -10.974 0.801 -8.512 408 HB3 ARG 52 HB3 ARG 52 -12.258 1.748 -7.790 409 HG2 ARG 52 HG2 ARG 52 -11.125 2.081 -10.574 410 HG3 ARG 52 HG3 ARG 52 -12.624 1.234 -10.221 411 HD2 ARG 52 HD2 ARG 52 -12.124 4.200 -9.745 412 HD3 ARG 52 HD3 ARG 52 -13.027 3.496 -11.090 413 HE ARG 52 HE ARG 52 -14.192 2.549 -8.677 414 HH11 ARG 52 HH11 ARG 52 -14.003 5.542 -10.472 415 HH12 ARG 52 HH12 ARG 52 -15.529 6.131 -9.847 416 HH21 ARG 52 HH21 ARG 52 -16.107 3.366 -7.875 417 HH22 ARG 52 HH22 ARG 52 -16.664 4.932 -8.393 418 H ARG 53 H ARG 53 -8.559 1.226 -7.938 419 HA ARG 53 HA ARG 53 -8.512 0.781 -4.995 420 HB2 ARG 53 HB2 ARG 53 -7.412 -1.319 -5.554 421 HB3 ARG 53 HB3 ARG 53 -8.907 -1.161 -6.474 422 HG2 ARG 53 HG2 ARG 53 -7.065 -0.069 -8.230 423 HG3 ARG 53 HG3 ARG 53 -6.063 -1.249 -7.415 424 HD2 ARG 53 HD2 ARG 53 -8.727 -1.860 -8.763 425 HD3 ARG 53 HD3 ARG 53 -7.142 -2.207 -9.445 426 HE ARG 53 HE ARG 53 -6.870 -3.576 -7.175 427 HH11 ARG 53 HH11 ARG 53 -7.486 -5.451 -6.530 428 HH12 ARG 53 HH12 ARG 53 -8.979 -6.204 -7.060 429 HH21 ARG 53 HH21 ARG 53 -9.413 -3.879 -9.513 430 HH22 ARG 53 HH22 ARG 53 -10.127 -5.235 -8.697 431 H ASN 54 H ASN 54 -6.808 2.472 -7.262 432 HA ASN 54 HA ASN 54 -5.125 3.978 -6.991 433 HB2 ASN 54 HB2 ASN 54 -5.796 3.241 -4.192 434 HB3 ASN 54 HB3 ASN 54 -4.409 4.307 -4.488 435 HD21 ASN 54 HD21 ASN 54 -8.271 5.460 -5.398 436 HD22 ASN 54 HD22 ASN 54 -7.907 3.821 -4.897 437 H ALA 55 H ALA 55 -4.186 2.156 -8.218 438 HA ALA 55 HA ALA 55 -2.087 0.550 -7.214 439 HB1 ALA 55 HB1 ALA 55 -2.488 1.699 -9.993 440 HB2 ALA 55 HB2 ALA 55 -1.464 0.316 -9.508 441 HB3 ALA 55 HB3 ALA 55 -3.254 0.252 -9.302 442 H ASP 56 H ASP 56 -0.717 1.746 -5.824 443 HA ASP 56 HA ASP 56 0.464 4.192 -6.256 444 HB2 ASP 56 HB2 ASP 56 0.687 2.248 -4.325 445 HB3 ASP 56 HB3 ASP 56 2.289 2.197 -5.018 446 H ILE 57 H ILE 57 1.560 1.075 -7.513 447 HA ILE 57 HA ILE 57 3.392 2.503 -9.405 448 HB ILE 57 HB ILE 57 4.120 -0.290 -8.571 449 HG12 ILE 57 HG12 ILE 57 4.701 2.119 -6.827 450 HG13 ILE 57 HG13 ILE 57 3.762 0.692 -6.387 451 HG21 ILE 57 HG21 ILE 57 6.368 0.502 -9.147 452 HG22 ILE 57 HG22 ILE 57 5.260 0.993 -10.425 453 HG23 ILE 57 HG23 ILE 57 5.805 2.177 -9.220 454 HD11 ILE 57 HD11 ILE 57 6.746 0.769 -6.876 455 HD12 ILE 57 HD12 ILE 57 5.878 0.503 -5.354 456 HD13 ILE 57 HD13 ILE 57 5.799 -0.720 -6.647 457 H VAL 58 H VAL 58 2.943 2.131 -11.466 458 HA VAL 58 HA VAL 58 1.448 -0.317 -12.304 459 HB VAL 58 HB VAL 58 0.654 1.436 -14.170 460 HG11 VAL 58 HG11 VAL 58 -1.402 1.745 -12.857 461 HG12 VAL 58 HG12 VAL 58 -0.842 0.077 -12.958 462 HG13 VAL 58 HG13 VAL 58 -0.573 1.031 -11.454 463 HG21 VAL 58 HG21 VAL 58 1.901 3.310 -12.902 464 HG22 VAL 58 HG22 VAL 58 0.204 3.593 -13.306 465 HG23 VAL 58 HG23 VAL 58 0.696 3.153 -11.640 466 H VAL 59 H VAL 59 3.126 -1.482 -12.869 467 HA VAL 59 HA VAL 59 5.139 -0.635 -14.841 468 HB VAL 59 HB VAL 59 4.518 -3.377 -13.674 469 HG11 VAL 59 HG11 VAL 59 6.994 -2.357 -15.137 470 HG12 VAL 59 HG12 VAL 59 6.806 -3.970 -14.435 471 HG13 VAL 59 HG13 VAL 59 5.806 -3.494 -15.814 472 HG21 VAL 59 HG21 VAL 59 5.248 -1.802 -11.899 473 HG22 VAL 59 HG22 VAL 59 6.426 -3.072 -12.208 474 HG23 VAL 59 HG23 VAL 59 6.720 -1.444 -12.836 475 H ILE 60 H ILE 60 4.205 -0.173 -16.813 476 HA ILE 60 HA ILE 60 2.231 -1.993 -18.000 477 HB ILE 60 HB ILE 60 3.706 0.220 -19.384 478 HG12 ILE 60 HG12 ILE 60 2.691 1.241 -17.268 479 HG13 ILE 60 HG13 ILE 60 2.220 1.946 -18.787 480 HG21 ILE 60 HG21 ILE 60 2.478 -1.126 -20.890 481 HG22 ILE 60 HG22 ILE 60 1.039 -1.133 -19.846 482 HG23 ILE 60 HG23 ILE 60 1.548 0.359 -20.667 483 HD11 ILE 60 HD11 ILE 60 0.566 0.007 -17.132 484 HD12 ILE 60 HD12 ILE 60 0.340 1.768 -17.294 485 HD13 ILE 60 HD13 ILE 60 0.075 0.732 -18.699 486 H VAL 61 H VAL 61 2.790 -3.471 -19.609 487 HA VAL 61 HA VAL 61 5.655 -3.828 -20.390 488 HB VAL 61 HB VAL 61 3.559 -5.975 -20.189 489 HG11 VAL 61 HG11 VAL 61 6.591 -6.080 -20.433 490 HG12 VAL 61 HG12 VAL 61 5.515 -7.484 -20.230 491 HG13 VAL 61 HG13 VAL 61 5.419 -6.512 -21.695 492 HG21 VAL 61 HG21 VAL 61 4.632 -6.753 -18.141 493 HG22 VAL 61 HG22 VAL 61 5.709 -5.346 -18.110 494 HG23 VAL 61 HG23 VAL 61 3.954 -5.144 -17.892 495 H GLY 62 H GLY 62 6.043 -3.609 -22.540 496 HA2 GLY 62 HA2 GLY 62 4.059 -4.486 -24.547 497 HA3 GLY 62 HA3 GLY 62 4.470 -2.761 -24.531 498 HA PRO 63 HA PRO 63 7.486 -5.083 -27.252 499 HB2 PRO 63 HB2 PRO 63 7.103 -3.608 -29.538 500 HB3 PRO 63 HB3 PRO 63 6.158 -5.071 -29.119 501 HG2 PRO 63 HG2 PRO 63 5.336 -2.186 -28.837 502 HG3 PRO 63 HG3 PRO 63 4.360 -3.589 -29.351 503 HD2 PRO 63 HD2 PRO 63 4.313 -2.539 -26.793 504 HD3 PRO 63 HD3 PRO 63 3.992 -4.265 -27.146 505 H SER 64 H SER 64 6.791 -1.698 -27.784 506 HA SER 64 HA SER 64 9.058 -0.496 -26.465 507 HB2 SER 64 HB2 SER 64 10.266 -1.275 -28.442 508 HB3 SER 64 HB3 SER 64 9.035 -0.596 -29.518 509 HG SER 64 HG SER 64 10.968 0.719 -29.153 510 H GLY 65 H GLY 65 8.865 1.896 -26.642 511 HA2 GLY 65 HA2 GLY 65 6.117 2.872 -26.926 512 HA3 GLY 65 HA3 GLY 65 7.540 3.805 -26.462 513 H SER 66 H SER 66 8.727 2.519 -29.126 514 HA SER 66 HA SER 66 8.334 4.864 -30.752 515 HB2 SER 66 HB2 SER 66 9.770 2.257 -31.310 516 HB3 SER 66 HB3 SER 66 9.995 3.768 -32.212 517 HG SER 66 HG SER 66 10.811 4.724 -30.329 518 H GLY 67 H GLY 67 6.136 2.440 -30.593 519 HA2 GLY 67 HA2 GLY 67 5.458 2.469 -33.518 520 HA3 GLY 67 HA3 GLY 67 5.643 0.956 -32.647 521 H LYS 68 H LYS 68 3.515 0.483 -33.292 522 HA LYS 68 HA LYS 68 1.185 1.984 -32.759 523 HB2 LYS 68 HB2 LYS 68 0.025 0.264 -33.734 524 HB3 LYS 68 HB3 LYS 68 1.621 0.051 -34.426 525 HG2 LYS 68 HG2 LYS 68 0.230 -1.583 -32.305 526 HG3 LYS 68 HG3 LYS 68 0.761 -2.092 -33.912 527 HD2 LYS 68 HD2 LYS 68 3.155 -1.760 -33.115 528 HD3 LYS 68 HD3 LYS 68 2.522 -1.518 -31.486 529 HE2 LYS 68 HE2 LYS 68 2.168 -4.031 -33.185 530 HE3 LYS 68 HE3 LYS 68 3.351 -3.818 -31.906 531 HZ1 LYS 68 HZ1 LYS 68 1.516 -4.939 -30.946 532 HZ2 LYS 68 HZ2 LYS 68 1.425 -3.434 -30.368 533 HZ3 LYS 68 HZ3 LYS 68 0.412 -3.909 -31.565 534 H SER 69 H SER 69 2.913 1.073 -30.295 535 HA SER 69 HA SER 69 1.228 -0.432 -28.511 536 HB2 SER 69 HB2 SER 69 3.059 0.243 -26.880 537 HB3 SER 69 HB3 SER 69 3.603 -0.558 -28.357 538 HG SER 69 HG SER 69 4.872 1.167 -28.130 539 H THR 70 H THR 70 -0.017 2.083 -29.575 540 HA THR 70 HA THR 70 -0.185 4.204 -27.790 541 HB THR 70 HB THR 70 -2.716 3.161 -29.033 542 HG1 THR 70 HG1 THR 70 -2.020 3.979 -31.017 543 HG21 THR 70 HG21 THR 70 -1.435 5.931 -28.935 544 HG22 THR 70 HG22 THR 70 -3.056 5.530 -29.572 545 HG23 THR 70 HG23 THR 70 -2.713 5.349 -27.850 546 H LEU 71 H LEU 71 -1.907 1.084 -27.505 547 HA LEU 71 HA LEU 71 -3.648 1.700 -25.405 548 HB2 LEU 71 HB2 LEU 71 -2.249 -0.969 -25.590 549 HB3 LEU 71 HB3 LEU 71 -3.890 -0.586 -25.118 550 HG LEU 71 HG LEU 71 -4.243 -1.616 -27.071 551 HD11 LEU 71 HD11 LEU 71 -3.910 1.153 -28.299 552 HD12 LEU 71 HD12 LEU 71 -5.038 -0.114 -28.739 553 HD13 LEU 71 HD13 LEU 71 -5.212 0.733 -27.173 554 HD21 LEU 71 HD21 LEU 71 -1.882 -1.876 -27.749 555 HD22 LEU 71 HD22 LEU 71 -2.985 -1.560 -29.094 556 HD23 LEU 71 HD23 LEU 71 -1.925 -0.275 -28.517 557 H ALA 72 H ALA 72 -0.205 0.983 -25.241 558 HA ALA 72 HA ALA 72 -0.017 0.724 -22.353 559 HB1 ALA 72 HB1 ALA 72 2.151 1.363 -24.424 560 HB2 ALA 72 HB2 ALA 72 2.421 0.917 -22.743 561 HB3 ALA 72 HB3 ALA 72 1.709 -0.259 -23.842 562 H LYS 73 H LYS 73 0.602 3.459 -24.637 563 HA LYS 73 HA LYS 73 1.054 5.303 -22.437 564 HB2 LYS 73 HB2 LYS 73 1.058 7.128 -23.964 565 HB3 LYS 73 HB3 LYS 73 2.114 5.846 -24.525 566 HG2 LYS 73 HG2 LYS 73 0.952 5.505 -26.431 567 HG3 LYS 73 HG3 LYS 73 -0.628 5.752 -25.669 568 HD2 LYS 73 HD2 LYS 73 1.168 8.110 -26.228 569 HD3 LYS 73 HD3 LYS 73 0.084 7.425 -27.447 570 HE2 LYS 73 HE2 LYS 73 -1.843 7.654 -25.889 571 HE3 LYS 73 HE3 LYS 73 -0.794 8.367 -24.679 572 HZ1 LYS 73 HZ1 LYS 73 -1.924 10.097 -25.931 573 HZ2 LYS 73 HZ2 LYS 73 -0.335 10.183 -26.279 574 HZ3 LYS 73 HZ3 LYS 73 -1.363 9.523 -27.353 575 H ILE 74 H ILE 74 -1.899 4.325 -24.090 576 HA ILE 74 HA ILE 74 -3.595 6.351 -22.988 577 HB ILE 74 HB ILE 74 -4.158 3.502 -23.867 578 HG12 ILE 74 HG12 ILE 74 -5.049 6.123 -25.145 579 HG13 ILE 74 HG13 ILE 74 -3.522 5.383 -25.559 580 HG21 ILE 74 HG21 ILE 74 -6.200 5.618 -23.031 581 HG22 ILE 74 HG22 ILE 74 -6.579 4.053 -23.780 582 HG23 ILE 74 HG23 ILE 74 -5.886 4.093 -22.178 583 HD11 ILE 74 HD11 ILE 74 -4.786 3.288 -26.294 584 HD12 ILE 74 HD12 ILE 74 -6.289 4.192 -25.998 585 HD13 ILE 74 HD13 ILE 74 -5.141 4.748 -27.222 586 H VAL 75 H VAL 75 -2.827 3.014 -21.694 587 HA VAL 75 HA VAL 75 -4.132 3.426 -19.188 588 HB VAL 75 HB VAL 75 -1.666 1.767 -19.860 589 HG11 VAL 75 HG11 VAL 75 -1.865 2.167 -17.363 590 HG12 VAL 75 HG12 VAL 75 -3.492 1.475 -17.413 591 HG13 VAL 75 HG13 VAL 75 -2.088 0.479 -17.824 592 HG21 VAL 75 HG21 VAL 75 -3.563 0.951 -21.089 593 HG22 VAL 75 HG22 VAL 75 -3.179 -0.174 -19.802 594 HG23 VAL 75 HG23 VAL 75 -4.563 0.923 -19.599 595 H LYS 76 H LYS 76 -0.676 4.056 -20.060 596 HA LYS 76 HA LYS 76 0.054 5.174 -17.571 597 HB2 LYS 76 HB2 LYS 76 1.700 4.528 -19.194 598 HB3 LYS 76 HB3 LYS 76 1.134 5.732 -20.353 599 HG2 LYS 76 HG2 LYS 76 2.188 7.474 -19.334 600 HG3 LYS 76 HG3 LYS 76 1.973 6.835 -17.715 601 HD2 LYS 76 HD2 LYS 76 4.363 6.946 -18.388 602 HD3 LYS 76 HD3 LYS 76 3.812 5.338 -17.917 603 HE2 LYS 76 HE2 LYS 76 5.211 4.978 -19.720 604 HE3 LYS 76 HE3 LYS 76 3.588 4.708 -20.304 605 HZ1 LYS 76 HZ1 LYS 76 5.228 7.134 -20.811 606 HZ2 LYS 76 HZ2 LYS 76 4.839 5.946 -21.861 607 HZ3 LYS 76 HZ3 LYS 76 3.676 6.955 -21.321 608 H LYS 77 H LYS 77 -1.640 6.803 -20.202 609 HA LYS 77 HA LYS 77 -1.508 9.443 -18.922 610 HB2 LYS 77 HB2 LYS 77 -3.162 8.262 -21.185 611 HB3 LYS 77 HB3 LYS 77 -3.554 9.834 -20.531 612 HG2 LYS 77 HG2 LYS 77 -0.824 9.134 -21.700 613 HG3 LYS 77 HG3 LYS 77 -2.150 9.886 -22.576 614 HD2 LYS 77 HD2 LYS 77 -1.141 11.830 -21.999 615 HD3 LYS 77 HD3 LYS 77 -2.040 11.631 -20.519 616 HE2 LYS 77 HE2 LYS 77 0.115 12.169 -19.799 617 HE3 LYS 77 HE3 LYS 77 0.064 10.419 -19.588 618 HZ1 LYS 77 HZ1 LYS 77 1.258 10.224 -21.736 619 HZ2 LYS 77 HZ2 LYS 77 1.304 11.851 -21.874 620 HZ3 LYS 77 HZ3 LYS 77 2.115 11.120 -20.676 621 H ILE 78 H ILE 78 -3.890 6.787 -18.823 622 HA ILE 78 HA ILE 78 -5.746 8.286 -17.179 623 HB ILE 78 HB ILE 78 -5.434 5.315 -17.541 624 HG12 ILE 78 HG12 ILE 78 -6.585 7.389 -19.241 625 HG13 ILE 78 HG13 ILE 78 -6.174 5.724 -19.565 626 HG21 ILE 78 HG21 ILE 78 -7.766 5.193 -16.573 627 HG22 ILE 78 HG22 ILE 78 -6.563 5.727 -15.423 628 HG23 ILE 78 HG23 ILE 78 -7.644 6.923 -16.178 629 HD11 ILE 78 HD11 ILE 78 -8.803 6.701 -18.405 630 HD12 ILE 78 HD12 ILE 78 -8.516 6.091 -20.041 631 HD13 ILE 78 HD13 ILE 78 -8.388 4.993 -18.656 632 H ILE 79 H ILE 79 -2.949 6.193 -16.299 633 HA ILE 79 HA ILE 79 -3.652 6.579 -13.454 634 HB ILE 79 HB ILE 79 -1.315 5.030 -14.550 635 HG12 ILE 79 HG12 ILE 79 -3.370 4.041 -15.434 636 HG13 ILE 79 HG13 ILE 79 -2.674 3.024 -14.195 637 HG21 ILE 79 HG21 ILE 79 -2.596 5.369 -11.808 638 HG22 ILE 79 HG22 ILE 79 -1.756 3.877 -12.211 639 HG23 ILE 79 HG23 ILE 79 -0.887 5.421 -12.288 640 HD11 ILE 79 HD11 ILE 79 -5.114 3.179 -14.046 641 HD12 ILE 79 HD12 ILE 79 -4.363 3.799 -12.553 642 HD13 ILE 79 HD13 ILE 79 -5.044 4.918 -13.764 643 H ALA 80 H ALA 80 -1.329 8.014 -15.696 644 HA ALA 80 HA ALA 80 0.359 9.158 -13.833 645 HB1 ALA 80 HB1 ALA 80 -0.646 10.337 -16.460 646 HB2 ALA 80 HB2 ALA 80 0.742 10.947 -15.550 647 HB3 ALA 80 HB3 ALA 80 0.792 9.310 -16.226 648 H ARG 81 H ARG 81 -2.883 10.242 -14.849 649 HA ARG 81 HA ARG 81 -2.919 12.640 -13.152 650 HB2 ARG 81 HB2 ARG 81 -5.227 12.903 -13.982 651 HB3 ARG 81 HB3 ARG 81 -4.083 12.672 -15.291 652 HG2 ARG 81 HG2 ARG 81 -5.702 11.243 -16.031 653 HG3 ARG 81 HG3 ARG 81 -4.723 10.142 -15.069 654 HD2 ARG 81 HD2 ARG 81 -6.991 9.627 -14.701 655 HD3 ARG 81 HD3 ARG 81 -6.371 10.309 -13.204 656 HE ARG 81 HE ARG 81 -7.494 12.472 -14.576 657 HH11 ARG 81 HH11 ARG 81 -8.800 9.392 -13.345 658 HH12 ARG 81 HH12 ARG 81 -10.369 10.080 -13.153 659 HH21 ARG 81 HH21 ARG 81 -9.560 13.221 -14.288 660 HH22 ARG 81 HH22 ARG 81 -10.788 12.163 -13.642 661 H ALA 82 H ALA 82 -3.828 9.270 -12.871 662 HA ALA 82 HA ALA 82 -5.734 9.551 -10.774 663 HB1 ALA 82 HB1 ALA 82 -3.850 7.225 -11.318 664 HB2 ALA 82 HB2 ALA 82 -5.354 7.156 -10.399 665 HB3 ALA 82 HB3 ALA 82 -5.413 7.483 -12.152 666 H GLY 83 H GLY 83 -2.262 9.630 -10.789 667 HA2 GLY 83 HA2 GLY 83 -1.316 11.021 -8.980 668 HA3 GLY 83 HA3 GLY 83 -2.284 10.098 -7.824 669 H ALA 84 H ALA 84 -0.641 8.272 -10.348 670 HA ALA 84 HA ALA 84 1.322 7.259 -8.326 671 HB1 ALA 84 HB1 ALA 84 -0.536 5.856 -10.254 672 HB2 ALA 84 HB2 ALA 84 0.824 5.047 -9.457 673 HB3 ALA 84 HB3 ALA 84 -0.506 5.736 -8.481 674 H LYS 85 H LYS 85 2.998 5.830 -9.399 675 HA LYS 85 HA LYS 85 4.099 7.234 -11.784 676 HB2 LYS 85 HB2 LYS 85 6.250 6.286 -11.190 677 HB3 LYS 85 HB3 LYS 85 5.559 7.235 -9.864 678 HG2 LYS 85 HG2 LYS 85 4.830 5.143 -8.752 679 HG3 LYS 85 HG3 LYS 85 5.421 4.202 -10.087 680 HD2 LYS 85 HD2 LYS 85 7.009 4.236 -8.116 681 HD3 LYS 85 HD3 LYS 85 7.705 4.729 -9.645 682 HE2 LYS 85 HE2 LYS 85 8.664 6.155 -8.083 683 HE3 LYS 85 HE3 LYS 85 7.523 7.132 -8.972 684 HZ1 LYS 85 HZ1 LYS 85 5.997 6.939 -7.050 685 HZ2 LYS 85 HZ2 LYS 85 7.106 6.035 -6.239 686 HZ3 LYS 85 HZ3 LYS 85 7.447 7.554 -6.604 687 H THR 86 H THR 86 4.085 6.376 -13.606 688 HA THR 86 HA THR 86 3.610 3.461 -13.981 689 HB THR 86 HB THR 86 2.801 5.526 -16.060 690 HG1 THR 86 HG1 THR 86 1.063 6.209 -15.058 691 HG21 THR 86 HG21 THR 86 1.793 2.841 -15.387 692 HG22 THR 86 HG22 THR 86 0.610 4.027 -15.932 693 HG23 THR 86 HG23 THR 86 2.040 3.655 -16.939 694 H ILE 87 H ILE 87 4.711 2.333 -15.451 695 HA ILE 87 HA ILE 87 6.761 3.778 -17.092 696 HB ILE 87 HB ILE 87 8.416 1.995 -16.389 697 HG12 ILE 87 HG12 ILE 87 6.827 0.444 -15.376 698 HG13 ILE 87 HG13 ILE 87 8.295 0.793 -14.445 699 HG21 ILE 87 HG21 ILE 87 7.596 4.085 -14.375 700 HG22 ILE 87 HG22 ILE 87 9.134 3.179 -14.398 701 HG23 ILE 87 HG23 ILE 87 8.711 4.254 -15.744 702 HD11 ILE 87 HD11 ILE 87 5.434 1.308 -13.856 703 HD12 ILE 87 HD12 ILE 87 6.729 0.819 -12.754 704 HD13 ILE 87 HD13 ILE 87 6.555 2.531 -13.254 705 H GLU 88 H GLU 88 7.883 2.315 -18.596 706 HA GLU 88 HA GLU 88 6.042 0.247 -19.752 707 HB2 GLU 88 HB2 GLU 88 7.315 2.602 -21.178 708 HB3 GLU 88 HB3 GLU 88 6.827 1.133 -22.021 709 HG2 GLU 88 HG2 GLU 88 4.508 1.420 -21.278 710 HG3 GLU 88 HG3 GLU 88 4.944 2.901 -20.432 711 H VAL 89 H VAL 89 7.263 -1.434 -19.043 712 HA VAL 89 HA VAL 89 10.120 -1.678 -19.775 713 HB VAL 89 HB VAL 89 10.229 -3.601 -18.489 714 HG11 VAL 89 HG11 VAL 89 8.102 -1.890 -17.088 715 HG12 VAL 89 HG12 VAL 89 9.133 -3.083 -16.316 716 HG13 VAL 89 HG13 VAL 89 9.860 -1.630 -17.033 717 HG21 VAL 89 HG21 VAL 89 7.207 -3.813 -18.574 718 HG22 VAL 89 HG22 VAL 89 8.376 -4.903 -19.364 719 HG23 VAL 89 HG23 VAL 89 8.279 -4.855 -17.607 720 H THR 90 H THR 90 10.898 -3.371 -21.194 721 HA THR 90 HA THR 90 8.912 -4.061 -23.326 722 HB THR 90 HB THR 90 10.825 -3.808 -24.921 723 HG1 THR 90 HG1 THR 90 12.417 -2.306 -24.017 724 HG21 THR 90 HG21 THR 90 10.117 -1.292 -23.361 725 HG22 THR 90 HG22 THR 90 10.675 -1.407 -25.052 726 HG23 THR 90 HG23 THR 90 9.104 -2.069 -24.610 727 H THR 91 H THR 91 9.842 -5.715 -24.940 728 HA THR 91 HA THR 91 9.996 -8.224 -23.629 729 HB THR 91 HB THR 91 10.607 -9.094 -25.912 730 HG1 THR 91 HG1 THR 91 10.624 -7.594 -27.579 731 HG21 THR 91 HG21 THR 91 8.282 -7.116 -25.882 732 HG22 THR 91 HG22 THR 91 8.482 -8.503 -26.971 733 HG23 THR 91 HG23 THR 91 8.223 -8.768 -25.241 734 H GLU 92 H GLU 92 12.632 -6.141 -24.781 735 HA GLU 92 HA GLU 92 14.578 -7.651 -23.191 736 HB2 GLU 92 HB2 GLU 92 14.347 -8.997 -25.319 737 HB3 GLU 92 HB3 GLU 92 14.925 -7.598 -26.221 738 HG2 GLU 92 HG2 GLU 92 17.080 -7.705 -25.014 739 HG3 GLU 92 HG3 GLU 92 16.465 -8.999 -23.994 740 H GLU 93 H GLU 93 14.128 -5.072 -25.672 741 HA GLU 93 HA GLU 93 16.762 -4.138 -25.543 742 HB2 GLU 93 HB2 GLU 93 16.028 -2.281 -26.904 743 HB3 GLU 93 HB3 GLU 93 15.353 -3.806 -27.453 744 HG2 GLU 93 HG2 GLU 93 13.176 -3.233 -26.393 745 HG3 GLU 93 HG3 GLU 93 13.850 -1.711 -25.828 746 H GLU 94 H GLU 94 14.185 -3.073 -23.369 747 HA GLU 94 HA GLU 94 16.100 -1.169 -22.087 748 HB2 GLU 94 HB2 GLU 94 13.343 -0.530 -23.215 749 HB3 GLU 94 HB3 GLU 94 14.070 0.474 -21.981 750 HG2 GLU 94 HG2 GLU 94 15.258 -0.018 -24.736 751 HG3 GLU 94 HG3 GLU 94 14.374 1.403 -24.212 752 H LEU 95 H LEU 95 14.195 -3.758 -21.491 753 HA LEU 95 HA LEU 95 12.471 -3.026 -19.445 754 HB2 LEU 95 HB2 LEU 95 12.073 -5.141 -19.022 755 HB3 LEU 95 HB3 LEU 95 12.647 -5.206 -20.677 756 HG LEU 95 HG LEU 95 14.319 -5.976 -18.237 757 HD11 LEU 95 HD11 LEU 95 12.745 -7.612 -20.249 758 HD12 LEU 95 HD12 LEU 95 13.806 -8.281 -18.976 759 HD13 LEU 95 HD13 LEU 95 12.347 -7.365 -18.533 760 HD21 LEU 95 HD21 LEU 95 15.716 -5.359 -20.211 761 HD22 LEU 95 HD22 LEU 95 15.758 -7.101 -19.901 762 HD23 LEU 95 HD23 LEU 95 14.748 -6.460 -21.219 763 H ARG 96 H ARG 96 15.952 -3.706 -19.007 764 HA ARG 96 HA ARG 96 15.995 -3.734 -16.153 765 HB2 ARG 96 HB2 ARG 96 17.879 -4.454 -17.549 766 HB3 ARG 96 HB3 ARG 96 18.111 -2.809 -18.147 767 HG2 ARG 96 HG2 ARG 96 18.670 -2.048 -15.849 768 HG3 ARG 96 HG3 ARG 96 18.415 -3.692 -15.238 769 HD2 ARG 96 HD2 ARG 96 20.287 -4.512 -16.625 770 HD3 ARG 96 HD3 ARG 96 20.438 -2.940 -17.394 771 HE ARG 96 HE ARG 96 21.582 -2.099 -15.572 772 HH11 ARG 96 HH11 ARG 96 20.307 -5.225 -14.602 773 HH12 ARG 96 HH12 ARG 96 21.234 -5.232 -13.118 774 HH21 ARG 96 HH21 ARG 96 22.715 -2.175 -13.677 775 HH22 ARG 96 HH22 ARG 96 22.559 -3.555 -12.622 776 H LYS 97 H LYS 97 16.603 -0.936 -18.314 777 HA LYS 97 HA LYS 97 16.740 0.980 -16.165 778 HB2 LYS 97 HB2 LYS 97 16.165 1.506 -19.112 779 HB3 LYS 97 HB3 LYS 97 16.610 2.693 -17.882 780 HG2 LYS 97 HG2 LYS 97 18.681 0.953 -17.583 781 HG3 LYS 97 HG3 LYS 97 18.313 0.663 -19.280 782 HD2 LYS 97 HD2 LYS 97 19.046 3.305 -17.947 783 HD3 LYS 97 HD3 LYS 97 20.076 2.353 -18.997 784 HE2 LYS 97 HE2 LYS 97 17.511 3.748 -19.880 785 HE3 LYS 97 HE3 LYS 97 19.133 4.398 -20.042 786 HZ1 LYS 97 HZ1 LYS 97 18.593 3.382 -22.091 787 HZ2 LYS 97 HZ2 LYS 97 19.653 2.353 -21.397 788 HZ3 LYS 97 HZ3 LYS 97 18.039 2.033 -21.421 789 H ALA 98 H ALA 98 14.040 0.042 -18.329 790 HA ALA 98 HA ALA 98 12.133 1.896 -17.346 791 HB1 ALA 98 HB1 ALA 98 11.744 -0.933 -18.383 792 HB2 ALA 98 HB2 ALA 98 10.496 0.321 -18.276 793 HB3 ALA 98 HB3 ALA 98 11.866 0.528 -19.402 794 H VAL 99 H VAL 99 12.675 -1.505 -16.272 795 HA VAL 99 HA VAL 99 10.719 -1.535 -14.241 796 HB VAL 99 HB VAL 99 13.349 -3.062 -14.525 797 HG11 VAL 99 HG11 VAL 99 11.180 -3.590 -12.469 798 HG12 VAL 99 HG12 VAL 99 12.560 -4.657 -12.836 799 HG13 VAL 99 HG13 VAL 99 12.853 -3.077 -12.121 800 HG21 VAL 99 HG21 VAL 99 11.422 -3.582 -16.130 801 HG22 VAL 99 HG22 VAL 99 11.946 -4.947 -15.136 802 HG23 VAL 99 HG23 VAL 99 10.469 -4.057 -14.710 803 H ALA 100 H ALA 100 14.217 -0.807 -14.092 804 HA ALA 100 HA ALA 100 14.371 -0.215 -11.338 805 HB1 ALA 100 HB1 ALA 100 16.060 0.913 -13.606 806 HB2 ALA 100 HB2 ALA 100 16.483 0.895 -11.879 807 HB3 ALA 100 HB3 ALA 100 16.329 -0.632 -12.756 808 H LYS 101 H LYS 101 13.465 1.947 -14.028 809 HA LYS 101 HA LYS 101 13.589 4.427 -12.808 810 HB2 LYS 101 HB2 LYS 101 12.722 3.465 -15.267 811 HB3 LYS 101 HB3 LYS 101 11.227 4.020 -14.569 812 HG2 LYS 101 HG2 LYS 101 12.086 5.793 -15.846 813 HG3 LYS 101 HG3 LYS 101 12.303 6.289 -14.177 814 HD2 LYS 101 HD2 LYS 101 14.580 4.874 -15.584 815 HD3 LYS 101 HD3 LYS 101 14.214 6.509 -16.098 816 HE2 LYS 101 HE2 LYS 101 14.885 5.749 -13.225 817 HE3 LYS 101 HE3 LYS 101 16.033 6.346 -14.404 818 HZ1 LYS 101 HZ1 LYS 101 14.747 8.396 -14.568 819 HZ2 LYS 101 HZ2 LYS 101 13.664 7.871 -13.463 820 HZ3 LYS 101 HZ3 LYS 101 15.211 8.146 -13.030 821 H ALA 102 H ALA 102 11.085 2.022 -12.234 822 HA ALA 102 HA ALA 102 9.897 3.832 -10.152 823 HB1 ALA 102 HB1 ALA 102 8.611 2.153 -12.291 824 HB2 ALA 102 HB2 ALA 102 7.687 2.816 -10.921 825 HB3 ALA 102 HB3 ALA 102 8.473 3.921 -12.079 826 H ARG 103 H ARG 103 9.755 0.386 -11.301 827 HA ARG 103 HA ARG 103 8.842 -0.654 -8.790 828 HB2 ARG 103 HB2 ARG 103 8.896 -1.600 -11.282 829 HB3 ARG 103 HB3 ARG 103 10.403 -2.332 -10.754 830 HG2 ARG 103 HG2 ARG 103 7.781 -2.650 -9.226 831 HG3 ARG 103 HG3 ARG 103 8.157 -3.647 -10.622 832 HD2 ARG 103 HD2 ARG 103 9.835 -3.559 -8.091 833 HD3 ARG 103 HD3 ARG 103 8.625 -4.772 -8.485 834 HE ARG 103 HE ARG 103 10.011 -5.258 -10.567 835 HH11 ARG 103 HH11 ARG 103 11.561 -4.207 -7.598 836 HH12 ARG 103 HH12 ARG 103 13.009 -5.137 -7.928 837 HH21 ARG 103 HH21 ARG 103 11.878 -6.397 -10.920 838 HH22 ARG 103 HH22 ARG 103 13.180 -6.327 -9.760 839 H GLY 104 H GLY 104 12.000 0.175 -9.906 840 HA2 GLY 104 HA2 GLY 104 13.352 -0.943 -7.466 841 HA3 GLY 104 HA3 GLY 104 14.142 -0.086 -8.794 842 H SER 105 H SER 105 12.864 2.226 -9.092 843 HA SER 105 HA SER 105 14.084 3.875 -7.213 844 HB2 SER 105 HB2 SER 105 13.359 4.514 -9.515 845 HB3 SER 105 HB3 SER 105 11.683 4.577 -8.937 846 HG SER 105 HG SER 105 12.762 6.627 -8.910 847 H TRP 106 H TRP 106 10.615 2.959 -7.267 848 HA TRP 106 HA TRP 106 9.602 4.522 -5.238 849 HB2 TRP 106 HB2 TRP 106 8.434 2.903 -6.778 850 HB3 TRP 106 HB3 TRP 106 8.879 1.610 -5.676 851 HD1 TRP 106 HD1 TRP 106 6.168 4.028 -6.287 852 HE1 TRP 106 HE1 TRP 106 4.609 4.288 -4.332 853 HE3 TRP 106 HE3 TRP 106 8.721 1.225 -2.865 854 HZ2 TRP 106 HZ2 TRP 106 4.687 3.758 -1.447 855 HZ3 TRP 106 HZ3 TRP 106 7.997 1.118 -0.537 856 HH2 TRP 106 HH2 TRP 106 5.979 2.414 0.226 857 H SER 107 H SER 107 11.162 1.297 -4.747 858 HA SER 107 HA SER 107 10.926 1.538 -1.837 859 HB2 SER 107 HB2 SER 107 12.381 -0.446 -3.598 860 HB3 SER 107 HB3 SER 107 12.313 -0.540 -1.829 861 HG SER 107 HG SER 107 10.664 -1.766 -2.907 862 H LEU 108 H LEU 108 13.263 2.573 -4.247 863 HA LEU 108 HA LEU 108 15.486 2.914 -2.410 864 HB2 LEU 108 HB2 LEU 108 14.938 3.155 -5.259 865 HB3 LEU 108 HB3 LEU 108 15.556 4.690 -4.691 866 HG LEU 108 HG LEU 108 17.572 3.515 -3.796 867 HD11 LEU 108 HD11 LEU 108 17.990 1.159 -4.492 868 HD12 LEU 108 HD12 LEU 108 16.669 1.273 -3.329 869 HD13 LEU 108 HD13 LEU 108 16.306 1.036 -5.054 870 HD21 LEU 108 HD21 LEU 108 16.867 2.860 -6.692 871 HD22 LEU 108 HD22 LEU 108 17.505 4.411 -6.110 872 HD23 LEU 108 HD23 LEU 108 18.512 2.950 -6.022 873 H GLU 109 H GLU 109 12.597 4.697 -3.220 874 HA GLU 109 HA GLU 109 13.352 7.201 -1.957 875 HB2 GLU 109 HB2 GLU 109 10.550 6.168 -2.361 876 HB3 GLU 109 HB3 GLU 109 11.092 7.843 -2.273 877 HG2 GLU 109 HG2 GLU 109 12.432 7.045 -4.510 878 HG3 GLU 109 HG3 GLU 109 11.077 5.932 -4.558 879 H HIS 110 H HIS 110 11.440 4.371 -0.911 880 HA HIS 110 HA HIS 110 11.005 5.670 1.750 881 HB2 HIS 110 HB2 HIS 110 9.253 3.736 0.203 882 HB3 HIS 110 HB3 HIS 110 8.849 4.466 1.753 883 HD2 HIS 110 HD2 HIS 110 8.295 4.970 -1.846 884 HE1 HIS 110 HE1 HIS 110 7.661 8.838 -0.180 885 HE2 HIS 110 HE2 HIS 110 7.354 7.392 -2.253 886 H HIS 111 H HIS 111 12.445 2.821 0.480 887 HA HIS 111 HA HIS 111 11.824 1.147 2.820 888 HB2 HIS 111 HB2 HIS 111 12.163 0.275 0.499 889 HB3 HIS 111 HB3 HIS 111 13.897 0.503 0.734 890 HD2 HIS 111 HD2 HIS 111 12.732 -2.338 0.214 891 HE1 HIS 111 HE1 HIS 111 13.180 -3.142 4.372 892 HE2 HIS 111 HE2 HIS 111 12.887 -4.197 2.075 893 H HIS 112 H HIS 112 12.553 2.962 4.233 894 HA HIS 112 HA HIS 112 15.419 2.581 5.089 895 HB2 HIS 112 HB2 HIS 112 15.755 4.849 5.275 896 HB3 HIS 112 HB3 HIS 112 14.956 4.673 3.720 897 HD2 HIS 112 HD2 HIS 112 14.314 5.717 7.347 898 HE1 HIS 112 HE1 HIS 112 11.165 7.474 5.070 899 HE2 HIS 112 HE2 HIS 112 12.219 7.350 7.380 900 H HIS 113 H HIS 113 12.141 2.627 6.155 901 HA HIS 113 HA HIS 113 12.845 3.145 8.982 902 HB2 HIS 113 HB2 HIS 113 10.358 3.049 9.289 903 HB3 HIS 113 HB3 HIS 113 10.940 4.292 8.202 904 HD2 HIS 113 HD2 HIS 113 10.098 4.304 5.738 905 HE1 HIS 113 HE1 HIS 113 7.847 0.692 5.764 906 HE2 HIS 113 HE2 HIS 113 8.441 2.764 4.411 907 H HIS 114 H HIS 114 13.483 0.579 7.366 908 HA HIS 114 HA HIS 114 12.135 -1.613 8.622 909 HB2 HIS 114 HB2 HIS 114 13.270 -1.457 6.340 910 HB3 HIS 114 HB3 HIS 114 14.812 -1.607 7.173 911 HD2 HIS 114 HD2 HIS 114 11.471 -3.656 7.511 912 HE1 HIS 114 HE1 HIS 114 14.579 -6.407 6.558 913 HE2 HIS 114 HE2 HIS 114 12.107 -6.175 7.098 914 H HIS 115 H HIS 115 13.433 0.245 10.590 915 HA HIS 115 HA HIS 115 14.957 -1.713 12.229 916 HB2 HIS 115 HB2 HIS 115 16.638 -0.399 10.981 917 HB3 HIS 115 HB3 HIS 115 15.922 1.098 11.567 918 HD2 HIS 115 HD2 HIS 115 16.508 1.868 14.038 919 HE1 HIS 115 HE1 HIS 115 19.222 -1.267 15.013 920 HE2 HIS 115 HE2 HIS 115 18.308 0.985 15.752 Start of MODEL 14 1 H1 MET 1 H1 MET 1 1.737 -1.616 0.094 2 H2 MET 1 H2 MET 1 2.885 -0.522 0.500 3 H3 MET 1 H3 MET 1 3.238 -1.740 -0.543 4 HA MET 1 HA MET 1 1.316 0.439 -1.052 5 HB2 MET 1 HB2 MET 1 2.834 1.439 -2.530 6 HB3 MET 1 HB3 MET 1 3.741 1.127 -1.066 7 HG2 MET 1 HG2 MET 1 3.891 -0.483 -3.657 8 HG3 MET 1 HG3 MET 1 5.028 0.731 -3.127 9 HE1 MET 1 HE1 MET 1 7.173 -2.518 -2.922 10 HE2 MET 1 HE2 MET 1 5.954 -2.068 -4.130 11 HE3 MET 1 HE3 MET 1 7.087 -0.845 -3.514 12 H ARG 2 H ARG 2 0.138 0.313 -3.078 13 HA ARG 2 HA ARG 2 -0.176 -2.464 -3.943 14 HB2 ARG 2 HB2 ARG 2 -2.113 -0.819 -3.719 15 HB3 ARG 2 HB3 ARG 2 -1.511 -0.040 -5.175 16 HG2 ARG 2 HG2 ARG 2 -1.810 -2.082 -6.493 17 HG3 ARG 2 HG3 ARG 2 -2.045 -3.059 -5.053 18 HD2 ARG 2 HD2 ARG 2 -3.961 -0.999 -6.171 19 HD3 ARG 2 HD3 ARG 2 -4.133 -2.748 -6.270 20 HE ARG 2 HE ARG 2 -4.708 -1.026 -4.009 21 HH11 ARG 2 HH11 ARG 2 -5.390 -1.802 -2.074 22 HH12 ARG 2 HH12 ARG 2 -5.512 -3.527 -1.810 23 HH21 ARG 2 HH21 ARG 2 -4.456 -4.435 -4.935 24 HH22 ARG 2 HH22 ARG 2 -4.885 -4.964 -3.346 25 H VAL 3 H VAL 3 0.325 -3.431 -5.750 26 HA VAL 3 HA VAL 3 2.039 -2.026 -7.752 27 HB VAL 3 HB VAL 3 2.238 -4.880 -6.676 28 HG11 VAL 3 HG11 VAL 3 2.797 -4.935 -9.064 29 HG12 VAL 3 HG12 VAL 3 3.861 -3.521 -8.876 30 HG13 VAL 3 HG13 VAL 3 4.273 -5.067 -8.109 31 HG21 VAL 3 HG21 VAL 3 4.510 -4.147 -5.956 32 HG22 VAL 3 HG22 VAL 3 4.137 -2.500 -6.506 33 HG23 VAL 3 HG23 VAL 3 3.238 -3.234 -5.152 34 H ILE 4 H ILE 4 1.603 -2.413 -9.867 35 HA ILE 4 HA ILE 4 -0.439 -4.444 -10.638 36 HB ILE 4 HB ILE 4 -0.492 -1.495 -11.213 37 HG12 ILE 4 HG12 ILE 4 -2.262 -3.645 -10.012 38 HG13 ILE 4 HG13 ILE 4 -1.777 -2.112 -9.305 39 HG21 ILE 4 HG21 ILE 4 -1.966 -3.624 -12.789 40 HG22 ILE 4 HG22 ILE 4 -2.146 -1.856 -12.952 41 HG23 ILE 4 HG23 ILE 4 -0.629 -2.585 -13.405 42 HD11 ILE 4 HD11 ILE 4 -3.915 -2.668 -11.373 43 HD12 ILE 4 HD12 ILE 4 -4.075 -1.879 -9.792 44 HD13 ILE 4 HD13 ILE 4 -3.231 -1.038 -11.124 45 H VAL 5 H VAL 5 -0.151 -5.341 -12.538 46 HA VAL 5 HA VAL 5 2.062 -4.379 -14.259 47 HB VAL 5 HB VAL 5 1.587 -7.331 -13.813 48 HG11 VAL 5 HG11 VAL 5 3.709 -5.828 -15.411 49 HG12 VAL 5 HG12 VAL 5 3.615 -7.592 -15.199 50 HG13 VAL 5 HG13 VAL 5 2.360 -6.742 -16.110 51 HG21 VAL 5 HG21 VAL 5 3.891 -5.569 -12.884 52 HG22 VAL 5 HG22 VAL 5 2.707 -6.390 -11.842 53 HG23 VAL 5 HG23 VAL 5 3.841 -7.346 -12.800 54 H VAL 6 H VAL 6 1.178 -3.658 -16.048 55 HA VAL 6 HA VAL 6 -1.271 -5.036 -17.115 56 HB VAL 6 HB VAL 6 -0.212 -2.294 -17.858 57 HG11 VAL 6 HG11 VAL 6 -2.689 -3.858 -18.689 58 HG12 VAL 6 HG12 VAL 6 -2.483 -2.114 -18.951 59 HG13 VAL 6 HG13 VAL 6 -1.397 -3.244 -19.746 60 HG21 VAL 6 HG21 VAL 6 -2.362 -1.535 -16.732 61 HG22 VAL 6 HG22 VAL 6 -2.575 -3.194 -16.147 62 HG23 VAL 6 HG23 VAL 6 -1.178 -2.214 -15.611 63 H ILE 7 H ILE 7 -1.203 -5.882 -19.204 64 HA ILE 7 HA ILE 7 1.397 -5.702 -20.671 65 HB ILE 7 HB ILE 7 -0.246 -8.231 -20.385 66 HG12 ILE 7 HG12 ILE 7 2.034 -8.999 -19.256 67 HG13 ILE 7 HG13 ILE 7 2.226 -7.292 -18.883 68 HG21 ILE 7 HG21 ILE 7 1.874 -9.214 -21.440 69 HG22 ILE 7 HG22 ILE 7 0.824 -8.258 -22.479 70 HG23 ILE 7 HG23 ILE 7 2.337 -7.562 -21.843 71 HD11 ILE 7 HD11 ILE 7 -0.229 -8.940 -18.097 72 HD12 ILE 7 HD12 ILE 7 1.208 -8.766 -17.077 73 HD13 ILE 7 HD13 ILE 7 0.240 -7.339 -17.479 74 H VAL 8 H VAL 8 1.288 -5.261 -22.838 75 HA VAL 8 HA VAL 8 -1.310 -4.946 -24.137 76 HB VAL 8 HB VAL 8 1.471 -4.823 -25.367 77 HG11 VAL 8 HG11 VAL 8 -1.237 -3.814 -26.362 78 HG12 VAL 8 HG12 VAL 8 0.327 -3.533 -27.164 79 HG13 VAL 8 HG13 VAL 8 -0.322 -5.168 -27.052 80 HG21 VAL 8 HG21 VAL 8 1.163 -2.363 -25.247 81 HG22 VAL 8 HG22 VAL 8 -0.344 -2.595 -24.330 82 HG23 VAL 8 HG23 VAL 8 1.212 -3.076 -23.635 83 H GLY 9 H GLY 9 -2.446 -6.645 -24.666 84 HA2 GLY 9 HA2 GLY 9 -1.219 -9.089 -25.896 85 HA3 GLY 9 HA3 GLY 9 -2.293 -9.189 -24.501 86 HA PRO 10 HA PRO 10 -3.053 -11.222 -25.269 87 HB2 PRO 10 HB2 PRO 10 -4.347 -13.084 -26.776 88 HB3 PRO 10 HB3 PRO 10 -5.172 -12.102 -25.537 89 HG2 PRO 10 HG2 PRO 10 -5.040 -11.584 -28.526 90 HG3 PRO 10 HG3 PRO 10 -6.496 -11.628 -27.483 91 HD2 PRO 10 HD2 PRO 10 -5.276 -9.276 -28.099 92 HD3 PRO 10 HD3 PRO 10 -5.950 -9.565 -26.467 93 H SER 11 H SER 11 -2.366 -9.937 -28.338 94 HA SER 11 HA SER 11 -0.141 -11.893 -28.790 95 HB2 SER 11 HB2 SER 11 -1.887 -10.690 -30.970 96 HB3 SER 11 HB3 SER 11 -0.631 -11.915 -31.165 97 HG SER 11 HG SER 11 -1.968 -13.262 -29.771 98 H GLY 12 H GLY 12 -0.656 -8.697 -28.099 99 HA2 GLY 12 HA2 GLY 12 0.832 -7.322 -30.125 100 HA3 GLY 12 HA3 GLY 12 0.445 -6.708 -28.522 101 H ALA 13 H ALA 13 1.854 -7.979 -26.699 102 HA ALA 13 HA ALA 13 4.692 -7.738 -27.398 103 HB1 ALA 13 HB1 ALA 13 3.317 -8.662 -24.844 104 HB2 ALA 13 HB2 ALA 13 5.039 -8.262 -25.034 105 HB3 ALA 13 HB3 ALA 13 3.818 -6.993 -25.221 106 H GLY 14 H GLY 14 2.386 -10.400 -26.966 107 HA2 GLY 14 HA2 GLY 14 3.394 -12.239 -28.679 108 HA3 GLY 14 HA3 GLY 14 4.391 -12.537 -27.254 109 H LYS 15 H LYS 15 2.829 -14.530 -28.246 110 HA LYS 15 HA LYS 15 0.126 -14.588 -27.242 111 HB2 LYS 15 HB2 LYS 15 1.874 -16.807 -28.380 112 HB3 LYS 15 HB3 LYS 15 0.127 -16.901 -28.130 113 HG2 LYS 15 HG2 LYS 15 -0.224 -15.029 -29.706 114 HG3 LYS 15 HG3 LYS 15 1.521 -14.913 -29.976 115 HD2 LYS 15 HD2 LYS 15 1.530 -17.258 -30.835 116 HD3 LYS 15 HD3 LYS 15 -0.241 -17.296 -30.652 117 HE2 LYS 15 HE2 LYS 15 -0.426 -15.335 -32.163 118 HE3 LYS 15 HE3 LYS 15 1.324 -15.279 -32.317 119 HZ1 LYS 15 HZ1 LYS 15 -0.390 -17.536 -33.207 120 HZ2 LYS 15 HZ2 LYS 15 0.317 -16.448 -34.194 121 HZ3 LYS 15 HZ3 LYS 15 1.235 -17.496 -33.343 122 H THR 16 H THR 16 3.091 -15.779 -25.855 123 HA THR 16 HA THR 16 1.582 -17.072 -23.593 124 HB THR 16 HB THR 16 4.318 -17.865 -24.614 125 HG1 THR 16 HG1 THR 16 3.236 -19.518 -25.679 126 HG21 THR 16 HG21 THR 16 2.263 -19.329 -22.886 127 HG22 THR 16 HG22 THR 16 3.764 -20.042 -23.511 128 HG23 THR 16 HG23 THR 16 3.846 -18.713 -22.356 129 H THR 17 H THR 17 4.093 -14.791 -24.394 130 HA THR 17 HA THR 17 5.487 -14.619 -21.957 131 HB THR 17 HB THR 17 6.150 -13.475 -24.028 132 HG1 THR 17 HG1 THR 17 7.076 -12.733 -22.180 133 HG21 THR 17 HG21 THR 17 5.170 -11.480 -24.822 134 HG22 THR 17 HG22 THR 17 3.770 -12.540 -24.504 135 HG23 THR 17 HG23 THR 17 4.185 -11.259 -23.363 136 H LEU 18 H LEU 18 2.479 -12.807 -22.868 137 HA LEU 18 HA LEU 18 2.110 -11.480 -20.408 138 HB2 LEU 18 HB2 LEU 18 -0.163 -11.117 -21.170 139 HB3 LEU 18 HB3 LEU 18 0.952 -10.979 -22.514 140 HG LEU 18 HG LEU 18 0.285 -13.492 -23.014 141 HD11 LEU 18 HD11 LEU 18 -1.275 -13.780 -20.990 142 HD12 LEU 18 HD12 LEU 18 -2.285 -12.498 -21.668 143 HD13 LEU 18 HD13 LEU 18 -2.044 -14.018 -22.550 144 HD21 LEU 18 HD21 LEU 18 -0.123 -11.546 -24.469 145 HD22 LEU 18 HD22 LEU 18 -1.488 -12.663 -24.461 146 HD23 LEU 18 HD23 LEU 18 -1.576 -11.145 -23.524 147 H ASP 19 H ASP 19 1.620 -14.753 -21.185 148 HA ASP 19 HA ASP 19 -0.430 -15.339 -19.141 149 HB2 ASP 19 HB2 ASP 19 0.774 -16.629 -21.487 150 HB3 ASP 19 HB3 ASP 19 0.783 -17.727 -20.124 151 H GLU 20 H GLU 20 2.893 -16.508 -19.787 152 HA GLU 20 HA GLU 20 3.366 -17.517 -17.188 153 HB2 GLU 20 HB2 GLU 20 5.633 -17.724 -17.782 154 HB3 GLU 20 HB3 GLU 20 4.681 -18.063 -19.228 155 HG2 GLU 20 HG2 GLU 20 5.189 -15.849 -20.125 156 HG3 GLU 20 HG3 GLU 20 6.067 -15.407 -18.661 157 H LEU 21 H LEU 21 3.635 -14.248 -18.470 158 HA LEU 21 HA LEU 21 4.998 -13.044 -16.216 159 HB2 LEU 21 HB2 LEU 21 3.298 -12.078 -18.506 160 HB3 LEU 21 HB3 LEU 21 3.487 -11.008 -17.160 161 HG LEU 21 HG LEU 21 5.072 -10.894 -19.254 162 HD11 LEU 21 HD11 LEU 21 6.000 -10.525 -16.380 163 HD12 LEU 21 HD12 LEU 21 6.730 -9.745 -17.814 164 HD13 LEU 21 HD13 LEU 21 5.066 -9.365 -17.344 165 HD21 LEU 21 HD21 LEU 21 6.135 -13.157 -18.997 166 HD22 LEU 21 HD22 LEU 21 7.277 -11.813 -18.935 167 HD23 LEU 21 HD23 LEU 21 6.806 -12.623 -17.433 168 H ALA 22 H ALA 22 1.430 -13.105 -17.009 169 HA ALA 22 HA ALA 22 0.628 -12.024 -14.575 170 HB1 ALA 22 HB1 ALA 22 -0.822 -14.035 -16.340 171 HB2 ALA 22 HB2 ALA 22 -1.577 -13.005 -15.102 172 HB3 ALA 22 HB3 ALA 22 -0.832 -12.264 -16.523 173 H ARG 23 H ARG 23 1.177 -15.467 -15.353 174 HA ARG 23 HA ARG 23 0.488 -16.617 -12.838 175 HB2 ARG 23 HB2 ARG 23 2.493 -17.464 -14.978 176 HB3 ARG 23 HB3 ARG 23 2.089 -18.473 -13.584 177 HG2 ARG 23 HG2 ARG 23 -0.069 -18.868 -14.263 178 HG3 ARG 23 HG3 ARG 23 -0.137 -17.443 -15.314 179 HD2 ARG 23 HD2 ARG 23 1.453 -18.469 -16.897 180 HD3 ARG 23 HD3 ARG 23 1.698 -19.828 -15.800 181 HE ARG 23 HE ARG 23 -0.229 -20.781 -16.524 182 HH11 ARG 23 HH11 ARG 23 -0.441 -17.387 -17.324 183 HH12 ARG 23 HH12 ARG 23 -1.773 -17.605 -18.429 184 HH21 ARG 23 HH21 ARG 23 -2.040 -21.001 -17.920 185 HH22 ARG 23 HH22 ARG 23 -2.741 -19.562 -18.627 186 H LYS 24 H LYS 24 3.816 -15.803 -13.941 187 HA LYS 24 HA LYS 24 4.990 -16.343 -11.377 188 HB2 LYS 24 HB2 LYS 24 6.021 -14.883 -13.841 189 HB3 LYS 24 HB3 LYS 24 6.978 -15.081 -12.369 190 HG2 LYS 24 HG2 LYS 24 6.732 -17.517 -12.444 191 HG3 LYS 24 HG3 LYS 24 5.760 -17.418 -13.916 192 HD2 LYS 24 HD2 LYS 24 8.619 -16.380 -13.731 193 HD3 LYS 24 HD3 LYS 24 8.210 -18.038 -14.183 194 HE2 LYS 24 HE2 LYS 24 6.807 -17.204 -16.044 195 HE3 LYS 24 HE3 LYS 24 7.262 -15.548 -15.665 196 HZ1 LYS 24 HZ1 LYS 24 9.543 -16.073 -16.209 197 HZ2 LYS 24 HZ2 LYS 24 9.222 -17.669 -16.360 198 HZ3 LYS 24 HZ3 LYS 24 8.628 -16.631 -17.446 199 H ALA 25 H ALA 25 4.048 -13.202 -12.834 200 HA ALA 25 HA ALA 25 4.834 -11.537 -10.640 201 HB1 ALA 25 HB1 ALA 25 2.504 -11.184 -12.563 202 HB2 ALA 25 HB2 ALA 25 3.282 -9.935 -11.570 203 HB3 ALA 25 HB3 ALA 25 4.183 -10.697 -12.886 204 H LYS 26 H LYS 26 1.370 -12.808 -11.172 205 HA LYS 26 HA LYS 26 0.727 -11.958 -8.577 206 HB2 LYS 26 HB2 LYS 26 -0.808 -12.654 -10.540 207 HB3 LYS 26 HB3 LYS 26 -0.613 -14.314 -9.949 208 HG2 LYS 26 HG2 LYS 26 -2.560 -13.619 -8.824 209 HG3 LYS 26 HG3 LYS 26 -1.318 -13.254 -7.620 210 HD2 LYS 26 HD2 LYS 26 -1.278 -10.886 -8.842 211 HD3 LYS 26 HD3 LYS 26 -2.908 -11.364 -9.353 212 HE2 LYS 26 HE2 LYS 26 -1.791 -11.261 -6.534 213 HE3 LYS 26 HE3 LYS 26 -2.846 -10.053 -7.235 214 HZ1 LYS 26 HZ1 LYS 26 -4.610 -11.705 -7.375 215 HZ2 LYS 26 HZ2 LYS 26 -3.647 -12.865 -6.724 216 HZ3 LYS 26 HZ3 LYS 26 -4.080 -11.572 -5.837 217 H GLU 27 H GLU 27 2.270 -15.050 -9.489 218 HA GLU 27 HA GLU 27 2.053 -16.356 -6.968 219 HB2 GLU 27 HB2 GLU 27 3.897 -16.591 -9.263 220 HB3 GLU 27 HB3 GLU 27 4.379 -17.294 -7.717 221 HG2 GLU 27 HG2 GLU 27 1.610 -17.723 -8.925 222 HG3 GLU 27 HG3 GLU 27 2.991 -18.738 -9.284 223 H GLU 28 H GLU 28 4.634 -14.085 -8.094 224 HA GLU 28 HA GLU 28 5.878 -14.089 -5.424 225 HB2 GLU 28 HB2 GLU 28 7.703 -12.990 -6.383 226 HB3 GLU 28 HB3 GLU 28 7.197 -14.234 -7.529 227 HG2 GLU 28 HG2 GLU 28 5.967 -12.362 -8.794 228 HG3 GLU 28 HG3 GLU 28 6.735 -11.231 -7.693 229 H VAL 29 H VAL 29 3.675 -12.054 -7.091 230 HA VAL 29 HA VAL 29 3.554 -10.173 -4.811 231 HB VAL 29 HB VAL 29 3.096 -8.288 -6.217 232 HG11 VAL 29 HG11 VAL 29 5.331 -7.757 -6.908 233 HG12 VAL 29 HG12 VAL 29 5.440 -8.762 -5.441 234 HG13 VAL 29 HG13 VAL 29 5.749 -9.465 -7.058 235 HG21 VAL 29 HG21 VAL 29 2.448 -9.622 -8.333 236 HG22 VAL 29 HG22 VAL 29 3.434 -8.150 -8.545 237 HG23 VAL 29 HG23 VAL 29 4.186 -9.760 -8.627 238 HA PRO 30 HA PRO 30 -0.490 -12.239 -5.572 239 HB2 PRO 30 HB2 PRO 30 -0.913 -12.965 -2.943 240 HB3 PRO 30 HB3 PRO 30 0.016 -13.957 -4.115 241 HG2 PRO 30 HG2 PRO 30 1.050 -11.998 -2.053 242 HG3 PRO 30 HG3 PRO 30 1.635 -13.661 -2.388 243 HD2 PRO 30 HD2 PRO 30 2.865 -11.470 -3.444 244 HD3 PRO 30 HD3 PRO 30 2.693 -12.986 -4.393 245 H ASP 31 H ASP 31 0.663 -9.560 -3.930 246 HA ASP 31 HA ASP 31 -1.895 -8.493 -2.889 247 HB2 ASP 31 HB2 ASP 31 0.497 -8.289 -1.888 248 HB3 ASP 31 HB3 ASP 31 0.788 -7.089 -3.128 249 H ALA 32 H ALA 32 -0.029 -8.438 -5.755 250 HA ALA 32 HA ALA 32 -0.684 -5.807 -6.708 251 HB1 ALA 32 HB1 ALA 32 0.505 -8.209 -8.144 252 HB2 ALA 32 HB2 ALA 32 0.629 -6.519 -8.669 253 HB3 ALA 32 HB3 ALA 32 1.430 -7.029 -7.175 254 H GLU 33 H GLU 33 -1.489 -5.583 -9.121 255 HA GLU 33 HA GLU 33 -3.650 -7.577 -9.740 256 HB2 GLU 33 HB2 GLU 33 -3.993 -4.849 -10.848 257 HB3 GLU 33 HB3 GLU 33 -5.175 -6.016 -10.395 258 HG2 GLU 33 HG2 GLU 33 -3.588 -4.294 -8.421 259 HG3 GLU 33 HG3 GLU 33 -5.146 -3.876 -9.097 260 H ILE 34 H ILE 34 -2.941 -8.832 -11.372 261 HA ILE 34 HA ILE 34 -1.396 -7.550 -13.527 262 HB ILE 34 HB ILE 34 -1.696 -10.528 -13.234 263 HG12 ILE 34 HG12 ILE 34 -1.164 -9.930 -10.972 264 HG13 ILE 34 HG13 ILE 34 0.154 -10.725 -11.740 265 HG21 ILE 34 HG21 ILE 34 0.076 -8.573 -14.637 266 HG22 ILE 34 HG22 ILE 34 0.851 -10.023 -14.005 267 HG23 ILE 34 HG23 ILE 34 -0.529 -10.136 -15.136 268 HD11 ILE 34 HD11 ILE 34 1.391 -8.593 -11.961 269 HD12 ILE 34 HD12 ILE 34 0.024 -7.703 -11.266 270 HD13 ILE 34 HD13 ILE 34 0.888 -8.902 -10.280 271 H ARG 35 H ARG 35 -2.275 -7.159 -15.425 272 HA ARG 35 HA ARG 35 -4.363 -8.908 -16.559 273 HB2 ARG 35 HB2 ARG 35 -5.897 -6.995 -17.101 274 HB3 ARG 35 HB3 ARG 35 -5.893 -7.461 -15.432 275 HG2 ARG 35 HG2 ARG 35 -4.218 -5.125 -16.449 276 HG3 ARG 35 HG3 ARG 35 -5.922 -5.031 -15.941 277 HD2 ARG 35 HD2 ARG 35 -4.840 -6.468 -13.879 278 HD3 ARG 35 HD3 ARG 35 -3.502 -5.422 -14.268 279 HE ARG 35 HE ARG 35 -6.183 -4.892 -13.103 280 HH11 ARG 35 HH11 ARG 35 -3.680 -3.053 -14.717 281 HH12 ARG 35 HH12 ARG 35 -4.454 -1.543 -14.258 282 HH21 ARG 35 HH21 ARG 35 -6.987 -3.115 -12.533 283 HH22 ARG 35 HH22 ARG 35 -6.392 -1.617 -13.187 284 H THR 36 H THR 36 -5.138 -8.134 -18.734 285 HA THR 36 HA THR 36 -2.942 -6.812 -20.238 286 HB THR 36 HB THR 36 -3.163 -8.256 -22.095 287 HG1 THR 36 HG1 THR 36 -4.747 -9.929 -22.083 288 HG21 THR 36 HG21 THR 36 -2.399 -10.284 -21.364 289 HG22 THR 36 HG22 THR 36 -2.049 -9.273 -19.948 290 HG23 THR 36 HG23 THR 36 -3.462 -10.340 -19.938 291 H VAL 37 H VAL 37 -3.528 -5.917 -22.308 292 HA VAL 37 HA VAL 37 -6.344 -5.054 -22.736 293 HB VAL 37 HB VAL 37 -6.064 -2.967 -22.456 294 HG11 VAL 37 HG11 VAL 37 -3.383 -3.458 -21.185 295 HG12 VAL 37 HG12 VAL 37 -4.406 -2.004 -21.043 296 HG13 VAL 37 HG13 VAL 37 -4.992 -3.557 -20.403 297 HG21 VAL 37 HG21 VAL 37 -4.119 -1.590 -23.157 298 HG22 VAL 37 HG22 VAL 37 -3.459 -3.020 -23.952 299 HG23 VAL 37 HG23 VAL 37 -5.097 -2.406 -24.398 300 H THR 38 H THR 38 -6.818 -4.484 -24.802 301 HA THR 38 HA THR 38 -4.815 -5.261 -26.914 302 HB THR 38 HB THR 38 -6.217 -7.180 -26.539 303 HG1 THR 38 HG1 THR 38 -6.999 -7.408 -28.648 304 HG21 THR 38 HG21 THR 38 -8.254 -6.180 -25.679 305 HG22 THR 38 HG22 THR 38 -8.596 -5.445 -27.268 306 HG23 THR 38 HG23 THR 38 -8.598 -7.212 -27.074 307 H THR 39 H THR 39 -7.443 -3.144 -26.048 308 HA THR 39 HA THR 39 -6.761 -1.310 -28.275 309 HB THR 39 HB THR 39 -9.471 -0.996 -28.215 310 HG1 THR 39 HG1 THR 39 -9.595 -3.060 -26.913 311 HG21 THR 39 HG21 THR 39 -8.089 -1.263 -30.217 312 HG22 THR 39 HG22 THR 39 -8.010 -3.019 -29.928 313 HG23 THR 39 HG23 THR 39 -9.572 -2.227 -30.297 314 H LYS 40 H LYS 40 -7.959 0.765 -28.061 315 HA LYS 40 HA LYS 40 -6.968 2.122 -25.902 316 HB2 LYS 40 HB2 LYS 40 -8.188 4.010 -26.659 317 HB3 LYS 40 HB3 LYS 40 -7.790 3.085 -28.087 318 HG2 LYS 40 HG2 LYS 40 -10.487 3.264 -26.685 319 HG3 LYS 40 HG3 LYS 40 -10.009 4.117 -28.148 320 HD2 LYS 40 HD2 LYS 40 -9.856 1.951 -29.373 321 HD3 LYS 40 HD3 LYS 40 -10.421 1.106 -27.911 322 HE2 LYS 40 HE2 LYS 40 -12.468 2.577 -27.927 323 HE3 LYS 40 HE3 LYS 40 -11.933 3.235 -29.472 324 HZ1 LYS 40 HZ1 LYS 40 -12.067 0.934 -30.369 325 HZ2 LYS 40 HZ2 LYS 40 -12.651 0.401 -28.940 326 HZ3 LYS 40 HZ3 LYS 40 -13.501 1.461 -29.820 327 H GLU 41 H GLU 41 -9.951 0.460 -26.109 328 HA GLU 41 HA GLU 41 -11.337 1.624 -23.837 329 HB2 GLU 41 HB2 GLU 41 -12.988 -0.154 -24.343 330 HB3 GLU 41 HB3 GLU 41 -12.513 0.806 -25.761 331 HG2 GLU 41 HG2 GLU 41 -10.924 -1.050 -26.401 332 HG3 GLU 41 HG3 GLU 41 -11.587 -2.012 -25.100 333 H ASP 42 H ASP 42 -9.454 -1.347 -24.421 334 HA ASP 42 HA ASP 42 -9.921 -2.490 -21.798 335 HB2 ASP 42 HB2 ASP 42 -7.797 -2.990 -23.898 336 HB3 ASP 42 HB3 ASP 42 -8.034 -3.916 -22.426 337 H ALA 43 H ALA 43 -7.434 -0.480 -23.300 338 HA ALA 43 HA ALA 43 -5.712 -0.305 -20.982 339 HB1 ALA 43 HB1 ALA 43 -6.161 1.492 -23.386 340 HB2 ALA 43 HB2 ALA 43 -5.000 1.872 -22.076 341 HB3 ALA 43 HB3 ALA 43 -4.797 0.391 -23.006 342 H LYS 44 H LYS 44 -8.495 1.636 -22.089 343 HA LYS 44 HA LYS 44 -8.487 3.443 -19.875 344 HB2 LYS 44 HB2 LYS 44 -9.699 3.934 -21.902 345 HB3 LYS 44 HB3 LYS 44 -10.843 2.611 -21.616 346 HG2 LYS 44 HG2 LYS 44 -11.849 3.659 -19.803 347 HG3 LYS 44 HG3 LYS 44 -10.413 4.605 -19.397 348 HD2 LYS 44 HD2 LYS 44 -10.790 5.935 -21.500 349 HD3 LYS 44 HD3 LYS 44 -12.389 5.174 -21.623 350 HE2 LYS 44 HE2 LYS 44 -11.309 6.743 -19.233 351 HE3 LYS 44 HE3 LYS 44 -12.389 7.407 -20.464 352 HZ1 LYS 44 HZ1 LYS 44 -14.063 5.760 -19.783 353 HZ2 LYS 44 HZ2 LYS 44 -13.082 5.201 -18.603 354 HZ3 LYS 44 HZ3 LYS 44 -13.648 6.714 -18.527 355 H ARG 45 H ARG 45 -10.221 0.397 -20.277 356 HA ARG 45 HA ARG 45 -11.636 0.135 -17.832 357 HB2 ARG 45 HB2 ARG 45 -12.093 -1.199 -19.746 358 HB3 ARG 45 HB3 ARG 45 -10.413 -1.676 -19.895 359 HG2 ARG 45 HG2 ARG 45 -10.678 -3.099 -17.828 360 HG3 ARG 45 HG3 ARG 45 -12.429 -2.786 -17.953 361 HD2 ARG 45 HD2 ARG 45 -12.392 -3.669 -20.297 362 HD3 ARG 45 HD3 ARG 45 -10.646 -3.914 -20.164 363 HE ARG 45 HE ARG 45 -12.069 -5.332 -18.096 364 HH11 ARG 45 HH11 ARG 45 -11.114 -5.657 -21.521 365 HH12 ARG 45 HH12 ARG 45 -11.374 -7.368 -21.474 366 HH21 ARG 45 HH21 ARG 45 -12.299 -7.516 -18.171 367 HH22 ARG 45 HH22 ARG 45 -11.982 -8.398 -19.642 368 H VAL 46 H VAL 46 -8.445 -1.398 -18.590 369 HA VAL 46 HA VAL 46 -8.070 -2.321 -15.901 370 HB VAL 46 HB VAL 46 -5.898 -2.830 -16.426 371 HG11 VAL 46 HG11 VAL 46 -7.584 -3.442 -18.898 372 HG12 VAL 46 HG12 VAL 46 -6.204 -4.368 -18.291 373 HG13 VAL 46 HG13 VAL 46 -7.694 -4.287 -17.344 374 HG21 VAL 46 HG21 VAL 46 -5.002 -0.965 -17.499 375 HG22 VAL 46 HG22 VAL 46 -4.716 -2.422 -18.439 376 HG23 VAL 46 HG23 VAL 46 -5.978 -1.263 -18.972 377 H ALA 47 H ALA 47 -7.012 0.714 -17.485 378 HA ALA 47 HA ALA 47 -5.588 1.580 -15.147 379 HB1 ALA 47 HB1 ALA 47 -6.721 3.352 -17.315 380 HB2 ALA 47 HB2 ALA 47 -5.246 3.566 -16.306 381 HB3 ALA 47 HB3 ALA 47 -5.314 2.309 -17.563 382 H GLU 48 H GLU 48 -8.859 2.608 -16.358 383 HA GLU 48 HA GLU 48 -9.497 4.215 -14.107 384 HB2 GLU 48 HB2 GLU 48 -11.675 4.326 -14.952 385 HB3 GLU 48 HB3 GLU 48 -10.632 4.186 -16.373 386 HG2 GLU 48 HG2 GLU 48 -11.107 1.671 -16.314 387 HG3 GLU 48 HG3 GLU 48 -12.235 1.965 -15.032 388 H GLU 49 H GLU 49 -9.311 0.770 -14.353 389 HA GLU 49 HA GLU 49 -10.781 0.279 -11.827 390 HB2 GLU 49 HB2 GLU 49 -10.353 -1.425 -13.748 391 HB3 GLU 49 HB3 GLU 49 -8.706 -1.519 -13.182 392 HG2 GLU 49 HG2 GLU 49 -9.671 -2.135 -10.858 393 HG3 GLU 49 HG3 GLU 49 -11.218 -2.335 -11.677 394 H ALA 50 H ALA 50 -7.396 0.306 -12.878 395 HA ALA 50 HA ALA 50 -6.148 -0.166 -10.382 396 HB1 ALA 50 HB1 ALA 50 -4.176 1.003 -11.404 397 HB2 ALA 50 HB2 ALA 50 -4.849 -0.307 -12.395 398 HB3 ALA 50 HB3 ALA 50 -5.203 1.401 -12.792 399 H GLU 51 H GLU 51 -7.399 2.938 -11.654 400 HA GLU 51 HA GLU 51 -6.201 4.416 -9.444 401 HB2 GLU 51 HB2 GLU 51 -7.142 6.345 -10.365 402 HB3 GLU 51 HB3 GLU 51 -6.694 5.303 -11.735 403 HG2 GLU 51 HG2 GLU 51 -9.034 4.641 -12.017 404 HG3 GLU 51 HG3 GLU 51 -9.520 5.672 -10.672 405 H ARG 52 H ARG 52 -8.843 2.452 -9.596 406 HA ARG 52 HA ARG 52 -10.399 3.688 -7.384 407 HB2 ARG 52 HB2 ARG 52 -10.773 0.824 -8.290 408 HB3 ARG 52 HB3 ARG 52 -11.955 1.912 -7.582 409 HG2 ARG 52 HG2 ARG 52 -10.751 2.102 -10.349 410 HG3 ARG 52 HG3 ARG 52 -12.337 1.469 -10.000 411 HD2 ARG 52 HD2 ARG 52 -11.864 4.256 -8.997 412 HD3 ARG 52 HD3 ARG 52 -11.732 4.076 -10.723 413 HE ARG 52 HE ARG 52 -14.150 3.887 -9.108 414 HH11 ARG 52 HH11 ARG 52 -16.125 3.648 -10.141 415 HH12 ARG 52 HH12 ARG 52 -16.182 3.175 -11.821 416 HH21 ARG 52 HH21 ARG 52 -12.782 2.913 -12.203 417 HH22 ARG 52 HH22 ARG 52 -14.356 2.753 -12.950 418 H ARG 53 H ARG 53 -8.342 0.853 -7.828 419 HA ARG 53 HA ARG 53 -8.164 0.319 -4.910 420 HB2 ARG 53 HB2 ARG 53 -6.884 -1.659 -5.568 421 HB3 ARG 53 HB3 ARG 53 -8.480 -1.608 -6.301 422 HG2 ARG 53 HG2 ARG 53 -6.570 -0.366 -8.108 423 HG3 ARG 53 HG3 ARG 53 -5.915 -1.904 -7.587 424 HD2 ARG 53 HD2 ARG 53 -8.712 -1.557 -8.728 425 HD3 ARG 53 HD3 ARG 53 -7.300 -2.071 -9.656 426 HE ARG 53 HE ARG 53 -7.178 -4.111 -8.277 427 HH11 ARG 53 HH11 ARG 53 -10.325 -2.516 -8.158 428 HH12 ARG 53 HH12 ARG 53 -11.099 -4.012 -7.693 429 HH21 ARG 53 HH21 ARG 53 -8.143 -5.803 -7.659 430 HH22 ARG 53 HH22 ARG 53 -9.871 -5.870 -7.345 431 H ASN 54 H ASN 54 -6.579 2.212 -7.136 432 HA ASN 54 HA ASN 54 -4.940 3.732 -6.883 433 HB2 ASN 54 HB2 ASN 54 -5.614 2.986 -4.100 434 HB3 ASN 54 HB3 ASN 54 -4.152 3.946 -4.321 435 HD21 ASN 54 HD21 ASN 54 -7.691 3.939 -5.101 436 HD22 ASN 54 HD22 ASN 54 -7.791 5.684 -5.202 437 H ALA 55 H ALA 55 -3.961 1.966 -8.151 438 HA ALA 55 HA ALA 55 -1.854 0.351 -7.190 439 HB1 ALA 55 HB1 ALA 55 -2.201 1.554 -9.948 440 HB2 ALA 55 HB2 ALA 55 -1.263 0.109 -9.480 441 HB3 ALA 55 HB3 ALA 55 -3.051 0.138 -9.303 442 H ASP 56 H ASP 56 -0.512 1.501 -5.777 443 HA ASP 56 HA ASP 56 0.717 3.936 -6.143 444 HB2 ASP 56 HB2 ASP 56 0.953 1.802 -4.314 445 HB3 ASP 56 HB3 ASP 56 2.583 2.050 -4.899 446 H ILE 57 H ILE 57 1.752 0.841 -7.519 447 HA ILE 57 HA ILE 57 3.570 2.314 -9.373 448 HB ILE 57 HB ILE 57 4.304 -0.482 -8.547 449 HG12 ILE 57 HG12 ILE 57 4.902 1.940 -6.819 450 HG13 ILE 57 HG13 ILE 57 4.058 0.469 -6.357 451 HG21 ILE 57 HG21 ILE 57 5.993 1.950 -9.261 452 HG22 ILE 57 HG22 ILE 57 6.535 0.260 -9.203 453 HG23 ILE 57 HG23 ILE 57 5.403 0.775 -10.450 454 HD11 ILE 57 HD11 ILE 57 7.016 0.692 -6.986 455 HD12 ILE 57 HD12 ILE 57 6.241 0.422 -5.416 456 HD13 ILE 57 HD13 ILE 57 6.150 -0.840 -6.668 457 H VAL 58 H VAL 58 3.162 1.920 -11.482 458 HA VAL 58 HA VAL 58 1.642 -0.527 -12.299 459 HB VAL 58 HB VAL 58 0.833 1.226 -14.147 460 HG11 VAL 58 HG11 VAL 58 -0.677 -0.099 -12.946 461 HG12 VAL 58 HG12 VAL 58 -0.383 0.828 -11.432 462 HG13 VAL 58 HG13 VAL 58 -1.221 1.572 -12.817 463 HG21 VAL 58 HG21 VAL 58 2.087 3.105 -12.900 464 HG22 VAL 58 HG22 VAL 58 0.377 3.383 -13.298 465 HG23 VAL 58 HG23 VAL 58 0.896 2.951 -11.625 466 H VAL 59 H VAL 59 3.268 -1.717 -12.945 467 HA VAL 59 HA VAL 59 5.269 -0.832 -14.932 468 HB VAL 59 HB VAL 59 4.712 -3.584 -13.749 469 HG11 VAL 59 HG11 VAL 59 5.810 -3.792 -15.942 470 HG12 VAL 59 HG12 VAL 59 7.027 -2.587 -15.479 471 HG13 VAL 59 HG13 VAL 59 6.964 -4.158 -14.662 472 HG21 VAL 59 HG21 VAL 59 5.594 -1.963 -12.063 473 HG22 VAL 59 HG22 VAL 59 6.751 -3.248 -12.433 474 HG23 VAL 59 HG23 VAL 59 6.982 -1.643 -13.135 475 H ILE 60 H ILE 60 4.380 -0.439 -16.913 476 HA ILE 60 HA ILE 60 2.318 -2.235 -18.024 477 HB ILE 60 HB ILE 60 3.758 -0.006 -19.421 478 HG12 ILE 60 HG12 ILE 60 2.784 1.002 -17.274 479 HG13 ILE 60 HG13 ILE 60 2.327 1.726 -18.777 480 HG21 ILE 60 HG21 ILE 60 1.100 -1.402 -19.827 481 HG22 ILE 60 HG22 ILE 60 1.524 0.115 -20.636 482 HG23 ILE 60 HG23 ILE 60 2.504 -1.334 -20.918 483 HD11 ILE 60 HD11 ILE 60 0.638 -0.153 -17.102 484 HD12 ILE 60 HD12 ILE 60 0.446 1.609 -17.311 485 HD13 ILE 60 HD13 ILE 60 0.152 0.530 -18.682 486 H VAL 61 H VAL 61 2.826 -3.795 -19.529 487 HA VAL 61 HA VAL 61 5.646 -4.156 -20.429 488 HB VAL 61 HB VAL 61 3.538 -6.290 -20.214 489 HG11 VAL 61 HG11 VAL 61 6.569 -6.416 -20.546 490 HG12 VAL 61 HG12 VAL 61 5.488 -7.808 -20.358 491 HG13 VAL 61 HG13 VAL 61 5.357 -6.785 -21.792 492 HG21 VAL 61 HG21 VAL 61 4.032 -5.482 -17.918 493 HG22 VAL 61 HG22 VAL 61 4.736 -7.076 -18.190 494 HG23 VAL 61 HG23 VAL 61 5.771 -5.628 -18.235 495 H GLY 62 H GLY 62 5.965 -3.846 -22.578 496 HA2 GLY 62 HA2 GLY 62 3.808 -4.421 -24.518 497 HA3 GLY 62 HA3 GLY 62 4.358 -2.744 -24.400 498 HA PRO 63 HA PRO 63 6.991 -5.440 -27.231 499 HB2 PRO 63 HB2 PRO 63 6.351 -4.426 -29.680 500 HB3 PRO 63 HB3 PRO 63 5.445 -5.740 -28.871 501 HG2 PRO 63 HG2 PRO 63 4.725 -2.796 -29.009 502 HG3 PRO 63 HG3 PRO 63 3.658 -4.228 -29.191 503 HD2 PRO 63 HD2 PRO 63 3.891 -2.805 -26.850 504 HD3 PRO 63 HD3 PRO 63 3.552 -4.562 -26.891 505 H SER 64 H SER 64 6.497 -2.268 -28.766 506 HA SER 64 HA SER 64 8.964 -0.958 -27.989 507 HB2 SER 64 HB2 SER 64 10.121 -1.302 -30.121 508 HB3 SER 64 HB3 SER 64 9.836 -2.845 -29.310 509 HG SER 64 HG SER 64 9.297 -2.939 -31.527 510 H GLY 65 H GLY 65 9.404 0.940 -29.437 511 HA2 GLY 65 HA2 GLY 65 8.886 2.719 -30.810 512 HA3 GLY 65 HA3 GLY 65 7.802 1.633 -31.662 513 H SER 66 H SER 66 6.529 3.487 -32.053 514 HA SER 66 HA SER 66 4.669 4.277 -29.831 515 HB2 SER 66 HB2 SER 66 5.804 6.102 -31.970 516 HB3 SER 66 HB3 SER 66 4.666 6.553 -30.695 517 HG SER 66 HG SER 66 6.831 7.088 -30.162 518 H GLY 67 H GLY 67 4.767 2.892 -32.930 519 HA2 GLY 67 HA2 GLY 67 2.456 4.254 -34.066 520 HA3 GLY 67 HA3 GLY 67 3.352 2.914 -34.762 521 H LYS 68 H LYS 68 2.814 1.359 -32.187 522 HA LYS 68 HA LYS 68 -0.092 0.730 -32.435 523 HB2 LYS 68 HB2 LYS 68 0.126 -1.446 -33.037 524 HB3 LYS 68 HB3 LYS 68 1.344 -0.679 -34.032 525 HG2 LYS 68 HG2 LYS 68 1.740 -2.382 -31.551 526 HG3 LYS 68 HG3 LYS 68 2.190 -2.750 -33.219 527 HD2 LYS 68 HD2 LYS 68 3.764 -0.644 -32.982 528 HD3 LYS 68 HD3 LYS 68 3.546 -0.885 -31.249 529 HE2 LYS 68 HE2 LYS 68 4.411 -3.157 -31.383 530 HE3 LYS 68 HE3 LYS 68 4.493 -3.084 -33.135 531 HZ1 LYS 68 HZ1 LYS 68 6.069 -1.286 -31.374 532 HZ2 LYS 68 HZ2 LYS 68 6.668 -2.636 -32.036 533 HZ3 LYS 68 HZ3 LYS 68 6.202 -1.405 -32.991 534 H SER 69 H SER 69 2.533 1.176 -30.407 535 HA SER 69 HA SER 69 1.757 -0.490 -28.182 536 HB2 SER 69 HB2 SER 69 3.595 0.890 -27.067 537 HB3 SER 69 HB3 SER 69 4.078 0.020 -28.537 538 HG SER 69 HG SER 69 4.772 2.188 -28.609 539 H THR 70 H THR 70 0.294 2.219 -29.410 540 HA THR 70 HA THR 70 0.042 4.167 -27.514 541 HB THR 70 HB THR 70 -2.438 3.213 -28.929 542 HG1 THR 70 HG1 THR 70 -0.359 4.581 -30.261 543 HG21 THR 70 HG21 THR 70 -2.693 5.611 -29.455 544 HG22 THR 70 HG22 THR 70 -2.583 5.332 -27.711 545 HG23 THR 70 HG23 THR 70 -1.175 5.964 -28.588 546 H LEU 71 H LEU 71 -1.715 1.036 -27.350 547 HA LEU 71 HA LEU 71 -3.560 1.754 -25.328 548 HB2 LEU 71 HB2 LEU 71 -2.199 -0.927 -25.653 549 HB3 LEU 71 HB3 LEU 71 -3.786 -0.581 -24.987 550 HG LEU 71 HG LEU 71 -4.460 -1.429 -26.929 551 HD11 LEU 71 HD11 LEU 71 -5.194 0.213 -28.511 552 HD12 LEU 71 HD12 LEU 71 -5.219 0.974 -26.898 553 HD13 LEU 71 HD13 LEU 71 -3.931 1.347 -28.060 554 HD21 LEU 71 HD21 LEU 71 -2.102 -0.290 -28.475 555 HD22 LEU 71 HD22 LEU 71 -2.228 -1.940 -27.822 556 HD23 LEU 71 HD23 LEU 71 -3.351 -1.390 -29.068 557 H ALA 72 H ALA 72 -0.154 0.865 -25.098 558 HA ALA 72 HA ALA 72 -0.016 0.628 -22.209 559 HB1 ALA 72 HB1 ALA 72 1.656 -0.429 -23.715 560 HB2 ALA 72 HB2 ALA 72 2.174 1.180 -24.276 561 HB3 ALA 72 HB3 ALA 72 2.432 0.709 -22.602 562 H LYS 73 H LYS 73 0.783 3.254 -24.566 563 HA LYS 73 HA LYS 73 1.334 5.387 -22.933 564 HB2 LYS 73 HB2 LYS 73 1.157 4.971 -25.564 565 HB3 LYS 73 HB3 LYS 73 -0.481 5.626 -25.317 566 HG2 LYS 73 HG2 LYS 73 0.800 7.427 -23.936 567 HG3 LYS 73 HG3 LYS 73 2.160 6.843 -24.976 568 HD2 LYS 73 HD2 LYS 73 1.185 8.707 -26.157 569 HD3 LYS 73 HD3 LYS 73 0.583 7.249 -26.962 570 HE2 LYS 73 HE2 LYS 73 -1.549 7.436 -25.611 571 HE3 LYS 73 HE3 LYS 73 -0.912 8.881 -24.846 572 HZ1 LYS 73 HZ1 LYS 73 -0.855 9.940 -27.046 573 HZ2 LYS 73 HZ2 LYS 73 -1.459 8.604 -27.753 574 HZ3 LYS 73 HZ3 LYS 73 -2.371 9.442 -26.693 575 H ILE 74 H ILE 74 -1.843 4.362 -24.059 576 HA ILE 74 HA ILE 74 -3.432 6.358 -22.850 577 HB ILE 74 HB ILE 74 -4.072 3.528 -23.744 578 HG12 ILE 74 HG12 ILE 74 -4.967 6.174 -24.967 579 HG13 ILE 74 HG13 ILE 74 -3.428 5.470 -25.396 580 HG21 ILE 74 HG21 ILE 74 -6.060 5.653 -22.843 581 HG22 ILE 74 HG22 ILE 74 -6.483 4.114 -23.623 582 HG23 ILE 74 HG23 ILE 74 -5.765 4.109 -22.024 583 HD11 ILE 74 HD11 ILE 74 -6.160 4.198 -25.839 584 HD12 ILE 74 HD12 ILE 74 -5.078 4.843 -27.070 585 HD13 ILE 74 HD13 ILE 74 -4.629 3.375 -26.192 586 H VAL 75 H VAL 75 -2.720 2.997 -21.571 587 HA VAL 75 HA VAL 75 -3.983 3.444 -19.079 588 HB VAL 75 HB VAL 75 -1.501 1.780 -19.704 589 HG11 VAL 75 HG11 VAL 75 -3.366 1.547 -17.283 590 HG12 VAL 75 HG12 VAL 75 -2.011 0.488 -17.681 591 HG13 VAL 75 HG13 VAL 75 -1.711 2.176 -17.228 592 HG21 VAL 75 HG21 VAL 75 -3.015 -0.167 -19.670 593 HG22 VAL 75 HG22 VAL 75 -4.402 0.938 -19.495 594 HG23 VAL 75 HG23 VAL 75 -3.380 0.951 -20.965 595 H LYS 76 H LYS 76 -0.556 4.043 -19.978 596 HA LYS 76 HA LYS 76 0.274 5.139 -17.486 597 HB2 LYS 76 HB2 LYS 76 1.855 4.412 -19.116 598 HB3 LYS 76 HB3 LYS 76 1.286 5.565 -20.318 599 HG2 LYS 76 HG2 LYS 76 2.377 7.348 -19.366 600 HG3 LYS 76 HG3 LYS 76 2.229 6.744 -17.724 601 HD2 LYS 76 HD2 LYS 76 4.583 6.782 -18.507 602 HD3 LYS 76 HD3 LYS 76 4.018 5.202 -17.971 603 HE2 LYS 76 HE2 LYS 76 5.357 4.797 -19.853 604 HE3 LYS 76 HE3 LYS 76 3.706 4.464 -20.287 605 HZ1 LYS 76 HZ1 LYS 76 3.646 6.672 -21.408 606 HZ2 LYS 76 HZ2 LYS 76 5.224 6.911 -21.032 607 HZ3 LYS 76 HZ3 LYS 76 4.802 5.671 -22.001 608 H LYS 77 H LYS 77 -1.468 6.739 -20.100 609 HA LYS 77 HA LYS 77 -1.275 9.389 -18.849 610 HB2 LYS 77 HB2 LYS 77 -3.068 8.250 -21.040 611 HB3 LYS 77 HB3 LYS 77 -3.253 9.891 -20.432 612 HG2 LYS 77 HG2 LYS 77 -0.742 8.768 -21.746 613 HG3 LYS 77 HG3 LYS 77 -1.955 9.770 -22.528 614 HD2 LYS 77 HD2 LYS 77 -0.114 10.637 -20.257 615 HD3 LYS 77 HD3 LYS 77 0.012 11.062 -21.958 616 HE2 LYS 77 HE2 LYS 77 -2.232 12.163 -21.841 617 HE3 LYS 77 HE3 LYS 77 -2.278 11.845 -20.104 618 HZ1 LYS 77 HZ1 LYS 77 -0.252 13.509 -21.483 619 HZ2 LYS 77 HZ2 LYS 77 -1.462 14.075 -20.546 620 HZ3 LYS 77 HZ3 LYS 77 -0.257 13.200 -19.882 621 H ILE 78 H ILE 78 -3.713 6.771 -18.697 622 HA ILE 78 HA ILE 78 -5.494 8.310 -17.014 623 HB ILE 78 HB ILE 78 -5.249 5.330 -17.360 624 HG12 ILE 78 HG12 ILE 78 -6.415 7.420 -19.023 625 HG13 ILE 78 HG13 ILE 78 -6.017 5.747 -19.362 626 HG21 ILE 78 HG21 ILE 78 -6.311 5.787 -15.213 627 HG22 ILE 78 HG22 ILE 78 -7.402 6.983 -15.950 628 HG23 ILE 78 HG23 ILE 78 -7.552 5.258 -16.321 629 HD11 ILE 78 HD11 ILE 78 -8.200 5.026 -18.394 630 HD12 ILE 78 HD12 ILE 78 -8.614 6.732 -18.125 631 HD13 ILE 78 HD13 ILE 78 -8.371 6.121 -19.778 632 H ILE 79 H ILE 79 -2.720 6.170 -16.175 633 HA ILE 79 HA ILE 79 -3.351 6.582 -13.320 634 HB ILE 79 HB ILE 79 -1.107 4.937 -14.477 635 HG12 ILE 79 HG12 ILE 79 -3.230 4.039 -15.314 636 HG13 ILE 79 HG13 ILE 79 -2.544 2.991 -14.093 637 HG21 ILE 79 HG21 ILE 79 -2.306 5.306 -11.708 638 HG22 ILE 79 HG22 ILE 79 -1.535 3.785 -12.134 639 HG23 ILE 79 HG23 ILE 79 -0.606 5.293 -12.232 640 HD11 ILE 79 HD11 ILE 79 -4.155 3.821 -12.412 641 HD12 ILE 79 HD12 ILE 79 -4.813 4.982 -13.590 642 HD13 ILE 79 HD13 ILE 79 -4.961 3.246 -13.885 643 H ALA 80 H ALA 80 -1.048 7.974 -15.611 644 HA ALA 80 HA ALA 80 0.722 9.012 -13.767 645 HB1 ALA 80 HB1 ALA 80 1.082 10.850 -15.457 646 HB2 ALA 80 HB2 ALA 80 1.149 9.216 -16.128 647 HB3 ALA 80 HB3 ALA 80 -0.313 10.225 -16.363 648 H ARG 81 H ARG 81 -2.500 10.214 -14.710 649 HA ARG 81 HA ARG 81 -2.463 12.592 -12.981 650 HB2 ARG 81 HB2 ARG 81 -4.772 12.922 -13.776 651 HB3 ARG 81 HB3 ARG 81 -3.645 12.686 -15.107 652 HG2 ARG 81 HG2 ARG 81 -5.320 11.334 -15.849 653 HG3 ARG 81 HG3 ARG 81 -4.361 10.175 -14.933 654 HD2 ARG 81 HD2 ARG 81 -6.648 9.728 -14.551 655 HD3 ARG 81 HD3 ARG 81 -5.970 10.324 -13.048 656 HE ARG 81 HE ARG 81 -7.075 12.562 -14.381 657 HH11 ARG 81 HH11 ARG 81 -8.388 9.548 -12.980 658 HH12 ARG 81 HH12 ARG 81 -9.948 10.272 -12.796 659 HH21 ARG 81 HH21 ARG 81 -9.123 13.347 -14.045 660 HH22 ARG 81 HH22 ARG 81 -10.343 12.330 -13.322 661 H ALA 82 H ALA 82 -3.435 9.238 -12.718 662 HA ALA 82 HA ALA 82 -5.364 9.543 -10.638 663 HB1 ALA 82 HB1 ALA 82 -3.541 7.183 -11.226 664 HB2 ALA 82 HB2 ALA 82 -5.033 7.139 -10.286 665 HB3 ALA 82 HB3 ALA 82 -5.108 7.510 -12.031 666 H GLY 83 H GLY 83 -1.911 9.628 -10.638 667 HA2 GLY 83 HA2 GLY 83 -0.952 10.942 -8.774 668 HA3 GLY 83 HA3 GLY 83 -1.914 9.964 -7.660 669 H ALA 84 H ALA 84 -0.318 8.240 -10.248 670 HA ALA 84 HA ALA 84 1.662 7.136 -8.293 671 HB1 ALA 84 HB1 ALA 84 1.090 4.927 -9.368 672 HB2 ALA 84 HB2 ALA 84 -0.225 5.662 -8.418 673 HB3 ALA 84 HB3 ALA 84 -0.241 5.753 -10.194 674 H LYS 85 H LYS 85 3.174 5.600 -9.495 675 HA LYS 85 HA LYS 85 4.339 7.039 -11.829 676 HB2 LYS 85 HB2 LYS 85 6.471 6.021 -11.169 677 HB3 LYS 85 HB3 LYS 85 5.756 7.025 -9.903 678 HG2 LYS 85 HG2 LYS 85 4.846 4.955 -8.820 679 HG3 LYS 85 HG3 LYS 85 5.577 3.988 -10.065 680 HD2 LYS 85 HD2 LYS 85 6.814 3.955 -7.995 681 HD3 LYS 85 HD3 LYS 85 7.832 4.589 -9.286 682 HE2 LYS 85 HE2 LYS 85 6.381 6.591 -7.572 683 HE3 LYS 85 HE3 LYS 85 7.660 5.675 -6.796 684 HZ1 LYS 85 HZ1 LYS 85 9.239 6.481 -8.443 685 HZ2 LYS 85 HZ2 LYS 85 8.074 7.332 -9.218 686 HZ3 LYS 85 HZ3 LYS 85 8.522 7.696 -7.691 687 H THR 86 H THR 86 4.236 6.192 -13.650 688 HA THR 86 HA THR 86 3.747 3.277 -14.052 689 HB THR 86 HB THR 86 2.934 5.319 -16.125 690 HG1 THR 86 HG1 THR 86 1.514 5.036 -13.714 691 HG21 THR 86 HG21 THR 86 2.097 3.447 -16.934 692 HG22 THR 86 HG22 THR 86 1.916 2.664 -15.358 693 HG23 THR 86 HG23 THR 86 0.718 3.857 -15.886 694 H ILE 87 H ILE 87 4.839 2.151 -15.487 695 HA ILE 87 HA ILE 87 6.872 3.573 -17.161 696 HB ILE 87 HB ILE 87 8.548 1.838 -16.438 697 HG12 ILE 87 HG12 ILE 87 6.974 0.260 -15.437 698 HG13 ILE 87 HG13 ILE 87 8.446 0.605 -14.529 699 HG21 ILE 87 HG21 ILE 87 7.670 3.913 -14.418 700 HG22 ILE 87 HG22 ILE 87 9.227 3.049 -14.428 701 HG23 ILE 87 HG23 ILE 87 8.798 4.102 -15.784 702 HD11 ILE 87 HD11 ILE 87 7.003 0.669 -12.783 703 HD12 ILE 87 HD12 ILE 87 6.625 2.336 -13.344 704 HD13 ILE 87 HD13 ILE 87 5.616 0.988 -13.844 705 H GLU 88 H GLU 88 7.974 2.113 -18.667 706 HA GLU 88 HA GLU 88 6.110 0.040 -19.772 707 HB2 GLU 88 HB2 GLU 88 7.402 2.355 -21.246 708 HB3 GLU 88 HB3 GLU 88 6.911 0.872 -22.066 709 HG2 GLU 88 HG2 GLU 88 4.597 1.164 -21.290 710 HG3 GLU 88 HG3 GLU 88 5.043 2.670 -20.497 711 H VAL 89 H VAL 89 7.368 -1.646 -18.958 712 HA VAL 89 HA VAL 89 10.214 -1.879 -19.714 713 HB VAL 89 HB VAL 89 10.212 -4.007 -18.668 714 HG11 VAL 89 HG11 VAL 89 8.951 -1.827 -16.938 715 HG12 VAL 89 HG12 VAL 89 9.734 -3.293 -16.318 716 HG13 VAL 89 HG13 VAL 89 10.685 -2.129 -17.242 717 HG21 VAL 89 HG21 VAL 89 7.988 -4.921 -18.969 718 HG22 VAL 89 HG22 VAL 89 8.352 -4.829 -17.257 719 HG23 VAL 89 HG23 VAL 89 7.281 -3.607 -17.988 720 H THR 90 H THR 90 10.580 -2.137 -21.886 721 HA THR 90 HA THR 90 8.677 -3.526 -23.592 722 HB THR 90 HB THR 90 10.628 -3.230 -25.305 723 HG1 THR 90 HG1 THR 90 11.945 -1.459 -24.697 724 HG21 THR 90 HG21 THR 90 9.229 -0.794 -24.141 725 HG22 THR 90 HG22 THR 90 9.942 -0.948 -25.775 726 HG23 THR 90 HG23 THR 90 8.543 -1.922 -25.335 727 H THR 91 H THR 91 9.462 -5.173 -25.160 728 HA THR 91 HA THR 91 10.642 -7.496 -23.836 729 HB THR 91 HB THR 91 10.216 -8.616 -26.029 730 HG1 THR 91 HG1 THR 91 10.354 -6.971 -27.484 731 HG21 THR 91 HG21 THR 91 8.466 -8.552 -24.285 732 HG22 THR 91 HG22 THR 91 7.848 -7.030 -24.954 733 HG23 THR 91 HG23 THR 91 7.779 -8.522 -25.917 734 H GLU 92 H GLU 92 12.410 -5.078 -24.323 735 HA GLU 92 HA GLU 92 14.723 -6.445 -25.557 736 HB2 GLU 92 HB2 GLU 92 13.771 -3.671 -26.378 737 HB3 GLU 92 HB3 GLU 92 15.340 -4.370 -26.790 738 HG2 GLU 92 HG2 GLU 92 14.129 -6.275 -27.923 739 HG3 GLU 92 HG3 GLU 92 12.632 -5.362 -27.723 740 H GLU 93 H GLU 93 16.720 -4.789 -25.251 741 HA GLU 93 HA GLU 93 17.332 -5.040 -22.565 742 HB2 GLU 93 HB2 GLU 93 19.395 -3.894 -23.058 743 HB3 GLU 93 HB3 GLU 93 18.960 -5.004 -24.356 744 HG2 GLU 93 HG2 GLU 93 18.118 -3.077 -25.707 745 HG3 GLU 93 HG3 GLU 93 18.570 -1.976 -24.410 746 H GLU 94 H GLU 94 15.624 -2.292 -23.820 747 HA GLU 94 HA GLU 94 16.318 -0.418 -21.731 748 HB2 GLU 94 HB2 GLU 94 15.329 0.128 -23.970 749 HB3 GLU 94 HB3 GLU 94 13.782 -0.509 -23.405 750 HG2 GLU 94 HG2 GLU 94 13.611 1.226 -21.724 751 HG3 GLU 94 HG3 GLU 94 15.295 1.693 -21.947 752 H LEU 95 H LEU 95 14.418 -3.262 -21.684 753 HA LEU 95 HA LEU 95 12.540 -3.230 -19.726 754 HB2 LEU 95 HB2 LEU 95 13.191 -5.218 -20.801 755 HB3 LEU 95 HB3 LEU 95 14.869 -5.057 -20.305 756 HG LEU 95 HG LEU 95 14.350 -5.692 -18.026 757 HD11 LEU 95 HD11 LEU 95 11.459 -5.962 -18.953 758 HD12 LEU 95 HD12 LEU 95 12.112 -6.509 -17.388 759 HD13 LEU 95 HD13 LEU 95 12.074 -4.785 -17.761 760 HD21 LEU 95 HD21 LEU 95 13.662 -8.017 -18.484 761 HD22 LEU 95 HD22 LEU 95 13.058 -7.521 -20.086 762 HD23 LEU 95 HD23 LEU 95 14.792 -7.430 -19.720 763 H ARG 96 H ARG 96 16.034 -3.497 -18.918 764 HA ARG 96 HA ARG 96 15.777 -3.435 -16.113 765 HB2 ARG 96 HB2 ARG 96 17.773 -4.136 -17.441 766 HB3 ARG 96 HB3 ARG 96 18.106 -2.444 -17.818 767 HG2 ARG 96 HG2 ARG 96 18.298 -2.008 -15.326 768 HG3 ARG 96 HG3 ARG 96 18.130 -3.747 -15.054 769 HD2 ARG 96 HD2 ARG 96 20.295 -2.360 -16.690 770 HD3 ARG 96 HD3 ARG 96 20.497 -2.982 -15.050 771 HE ARG 96 HE ARG 96 19.727 -5.241 -16.305 772 HH11 ARG 96 HH11 ARG 96 22.215 -2.951 -17.256 773 HH12 ARG 96 HH12 ARG 96 23.121 -4.165 -18.132 774 HH21 ARG 96 HH21 ARG 96 20.926 -6.725 -17.425 775 HH22 ARG 96 HH22 ARG 96 22.407 -6.245 -18.214 776 H LYS 97 H LYS 97 16.522 -0.715 -18.268 777 HA LYS 97 HA LYS 97 16.606 1.378 -16.330 778 HB2 LYS 97 HB2 LYS 97 17.485 1.480 -18.657 779 HB3 LYS 97 HB3 LYS 97 15.832 1.496 -19.276 780 HG2 LYS 97 HG2 LYS 97 15.408 3.646 -18.090 781 HG3 LYS 97 HG3 LYS 97 17.064 3.610 -17.451 782 HD2 LYS 97 HD2 LYS 97 17.948 3.636 -19.776 783 HD3 LYS 97 HD3 LYS 97 16.288 3.685 -20.404 784 HE2 LYS 97 HE2 LYS 97 15.910 5.833 -19.225 785 HE3 LYS 97 HE3 LYS 97 17.556 5.774 -18.592 786 HZ1 LYS 97 HZ1 LYS 97 18.368 5.859 -20.897 787 HZ2 LYS 97 HZ2 LYS 97 16.842 5.949 -21.470 788 HZ3 LYS 97 HZ3 LYS 97 17.452 7.165 -20.572 789 H ALA 98 H ALA 98 13.857 0.250 -18.361 790 HA ALA 98 HA ALA 98 11.954 2.099 -17.380 791 HB1 ALA 98 HB1 ALA 98 11.721 -0.689 -18.540 792 HB2 ALA 98 HB2 ALA 98 10.308 0.281 -18.079 793 HB3 ALA 98 HB3 ALA 98 11.432 0.870 -19.345 794 H VAL 99 H VAL 99 12.601 -1.267 -16.116 795 HA VAL 99 HA VAL 99 10.627 -0.908 -14.060 796 HB VAL 99 HB VAL 99 12.694 -2.606 -12.950 797 HG11 VAL 99 HG11 VAL 99 9.987 -3.335 -14.109 798 HG12 VAL 99 HG12 VAL 99 10.933 -4.243 -12.905 799 HG13 VAL 99 HG13 VAL 99 10.266 -2.650 -12.496 800 HG21 VAL 99 HG21 VAL 99 12.793 -4.467 -14.468 801 HG22 VAL 99 HG22 VAL 99 11.983 -3.523 -15.737 802 HG23 VAL 99 HG23 VAL 99 13.594 -3.043 -15.135 803 H ALA 100 H ALA 100 14.102 -0.417 -14.050 804 HA ALA 100 HA ALA 100 14.445 0.297 -11.339 805 HB1 ALA 100 HB1 ALA 100 15.979 1.356 -13.755 806 HB2 ALA 100 HB2 ALA 100 16.517 1.432 -12.069 807 HB3 ALA 100 HB3 ALA 100 16.318 -0.140 -12.866 808 H LYS 101 H LYS 101 13.533 2.416 -14.054 809 HA LYS 101 HA LYS 101 13.357 4.905 -12.790 810 HB2 LYS 101 HB2 LYS 101 12.013 3.579 -15.160 811 HB3 LYS 101 HB3 LYS 101 11.466 5.170 -14.673 812 HG2 LYS 101 HG2 LYS 101 14.352 4.501 -15.407 813 HG3 LYS 101 HG3 LYS 101 13.145 5.221 -16.481 814 HD2 LYS 101 HD2 LYS 101 12.942 7.140 -14.855 815 HD3 LYS 101 HD3 LYS 101 14.281 6.427 -13.926 816 HE2 LYS 101 HE2 LYS 101 15.738 6.556 -15.920 817 HE3 LYS 101 HE3 LYS 101 14.426 7.268 -16.851 818 HZ1 LYS 101 HZ1 LYS 101 15.687 8.490 -14.455 819 HZ2 LYS 101 HZ2 LYS 101 15.909 8.983 -15.983 820 HZ3 LYS 101 HZ3 LYS 101 14.446 9.155 -15.287 821 H ALA 102 H ALA 102 11.135 2.269 -12.254 822 HA ALA 102 HA ALA 102 9.732 4.122 -10.334 823 HB1 ALA 102 HB1 ALA 102 7.645 2.798 -10.899 824 HB2 ALA 102 HB2 ALA 102 8.256 3.884 -12.174 825 HB3 ALA 102 HB3 ALA 102 8.609 2.124 -12.245 826 H ARG 103 H ARG 103 10.021 0.567 -11.065 827 HA ARG 103 HA ARG 103 9.186 -0.296 -8.452 828 HB2 ARG 103 HB2 ARG 103 9.178 -1.632 -10.533 829 HB3 ARG 103 HB3 ARG 103 10.945 -1.761 -10.431 830 HG2 ARG 103 HG2 ARG 103 10.857 -3.085 -8.464 831 HG3 ARG 103 HG3 ARG 103 9.186 -2.597 -8.096 832 HD2 ARG 103 HD2 ARG 103 8.356 -3.759 -10.034 833 HD3 ARG 103 HD3 ARG 103 9.984 -4.243 -10.521 834 HE ARG 103 HE ARG 103 8.330 -5.356 -8.336 835 HH11 ARG 103 HH11 ARG 103 11.579 -5.330 -9.690 836 HH12 ARG 103 HH12 ARG 103 12.021 -6.800 -8.851 837 HH21 ARG 103 HH21 ARG 103 8.966 -7.226 -7.323 838 HH22 ARG 103 HH22 ARG 103 10.582 -7.835 -7.550 839 H GLY 104 H GLY 104 12.218 0.763 -9.727 840 HA2 GLY 104 HA2 GLY 104 13.774 0.148 -7.252 841 HA3 GLY 104 HA3 GLY 104 14.378 1.097 -8.615 842 H SER 105 H SER 105 12.759 3.075 -9.013 843 HA SER 105 HA SER 105 13.574 5.086 -7.294 844 HB2 SER 105 HB2 SER 105 12.770 5.682 -9.435 845 HB3 SER 105 HB3 SER 105 11.245 4.816 -9.188 846 HG SER 105 HG SER 105 12.011 7.299 -8.127 847 H TRP 106 H TRP 106 10.373 3.465 -7.189 848 HA TRP 106 HA TRP 106 9.123 4.992 -5.279 849 HB2 TRP 106 HB2 TRP 106 8.255 3.075 -6.721 850 HB3 TRP 106 HB3 TRP 106 8.858 1.971 -5.533 851 HD1 TRP 106 HD1 TRP 106 5.920 4.270 -6.170 852 HE1 TRP 106 HE1 TRP 106 4.336 4.321 -4.255 853 HE3 TRP 106 HE3 TRP 106 8.644 1.504 -2.828 854 HZ2 TRP 106 HZ2 TRP 106 4.440 3.740 -1.376 855 HZ3 TRP 106 HZ3 TRP 106 7.915 1.317 -0.486 856 HH2 TRP 106 HH2 TRP 106 5.832 2.467 0.278 857 H SER 107 H SER 107 11.069 2.069 -4.510 858 HA SER 107 HA SER 107 10.695 2.344 -1.652 859 HB2 SER 107 HB2 SER 107 12.657 0.694 -3.268 860 HB3 SER 107 HB3 SER 107 12.392 0.560 -1.514 861 HG SER 107 HG SER 107 11.150 -0.955 -2.708 862 H LEU 108 H LEU 108 12.756 3.877 -3.920 863 HA LEU 108 HA LEU 108 14.838 4.639 -2.010 864 HB2 LEU 108 HB2 LEU 108 14.495 4.422 -4.965 865 HB3 LEU 108 HB3 LEU 108 15.227 5.936 -4.481 866 HG LEU 108 HG LEU 108 17.008 4.714 -3.282 867 HD11 LEU 108 HD11 LEU 108 17.231 2.253 -3.570 868 HD12 LEU 108 HD12 LEU 108 15.811 2.658 -2.607 869 HD13 LEU 108 HD13 LEU 108 15.620 2.193 -4.311 870 HD21 LEU 108 HD21 LEU 108 16.514 3.700 -6.110 871 HD22 LEU 108 HD22 LEU 108 17.249 5.262 -5.686 872 HD23 LEU 108 HD23 LEU 108 18.086 3.754 -5.282 873 H GLU 109 H GLU 109 11.914 5.960 -3.415 874 HA GLU 109 HA GLU 109 12.474 8.738 -2.699 875 HB2 GLU 109 HB2 GLU 109 9.790 7.502 -3.407 876 HB3 GLU 109 HB3 GLU 109 10.231 9.203 -3.434 877 HG2 GLU 109 HG2 GLU 109 12.050 8.155 -5.218 878 HG3 GLU 109 HG3 GLU 109 10.664 7.072 -5.414 879 H HIS 110 H HIS 110 10.088 6.324 -1.500 880 HA HIS 110 HA HIS 110 8.831 8.152 0.270 881 HB2 HIS 110 HB2 HIS 110 7.406 6.385 0.844 882 HB3 HIS 110 HB3 HIS 110 7.899 5.983 -0.797 883 HD2 HIS 110 HD2 HIS 110 10.364 4.300 -0.635 884 HE1 HIS 110 HE1 HIS 110 8.910 2.260 2.816 885 HE2 HIS 110 HE2 HIS 110 10.643 2.202 0.949 886 H HIS 111 H HIS 111 11.658 6.314 0.781 887 HA HIS 111 HA HIS 111 11.225 5.795 3.610 888 HB2 HIS 111 HB2 HIS 111 12.531 4.442 1.716 889 HB3 HIS 111 HB3 HIS 111 13.894 5.382 2.296 890 HD2 HIS 111 HD2 HIS 111 13.298 2.140 2.556 891 HE1 HIS 111 HE1 HIS 111 13.091 2.904 6.741 892 HE2 HIS 111 HE2 HIS 111 13.346 1.099 4.975 893 H HIS 112 H HIS 112 12.513 6.419 5.335 894 HA HIS 112 HA HIS 112 14.068 8.971 5.105 895 HB2 HIS 112 HB2 HIS 112 11.830 8.339 7.051 896 HB3 HIS 112 HB3 HIS 112 12.980 9.643 7.293 897 HD2 HIS 112 HD2 HIS 112 10.135 8.640 4.892 898 HE1 HIS 112 HE1 HIS 112 10.819 12.811 4.365 899 HE2 HIS 112 HE2 HIS 112 9.313 10.862 3.737 900 H HIS 113 H HIS 113 14.279 5.808 5.982 901 HA HIS 113 HA HIS 113 16.538 6.324 7.871 902 HB2 HIS 113 HB2 HIS 113 14.381 5.706 9.056 903 HB3 HIS 113 HB3 HIS 113 14.473 4.133 8.275 904 HD2 HIS 113 HD2 HIS 113 15.755 2.330 9.661 905 HE1 HIS 113 HE1 HIS 113 17.949 4.858 12.292 906 HE2 HIS 113 HE2 HIS 113 17.385 2.446 11.723 907 H HIS 114 H HIS 114 15.188 4.417 5.293 908 HA HIS 114 HA HIS 114 16.016 2.969 3.793 909 HB2 HIS 114 HB2 HIS 114 18.527 4.577 4.322 910 HB3 HIS 114 HB3 HIS 114 18.222 3.605 2.891 911 HD2 HIS 114 HD2 HIS 114 16.580 4.539 1.030 912 HE1 HIS 114 HE1 HIS 114 15.989 8.410 2.705 913 HE2 HIS 114 HE2 HIS 114 15.651 6.973 0.638 914 H HIS 115 H HIS 115 16.420 1.994 6.680 915 HA HIS 115 HA HIS 115 17.791 -0.496 5.858 916 HB2 HIS 115 HB2 HIS 115 19.538 0.910 6.922 917 HB3 HIS 115 HB3 HIS 115 18.557 1.029 8.379 918 HD2 HIS 115 HD2 HIS 115 19.312 -0.641 10.191 919 HE1 HIS 115 HE1 HIS 115 20.858 -3.783 7.764 920 HE2 HIS 115 HE2 HIS 115 20.484 -3.002 10.153 Start of MODEL 15 1 H1 MET 1 H1 MET 1 2.854 -1.566 -0.306 2 H2 MET 1 H2 MET 1 1.353 -1.366 0.308 3 H3 MET 1 H3 MET 1 2.520 -0.266 0.638 4 HA MET 1 HA MET 1 0.975 0.588 -0.990 5 HB2 MET 1 HB2 MET 1 2.506 1.490 -2.503 6 HB3 MET 1 HB3 MET 1 3.418 1.226 -1.034 7 HG2 MET 1 HG2 MET 1 3.498 -0.493 -3.559 8 HG3 MET 1 HG3 MET 1 4.701 0.673 -3.057 9 HE1 MET 1 HE1 MET 1 6.737 -2.579 -2.766 10 HE2 MET 1 HE2 MET 1 5.543 -2.136 -4.001 11 HE3 MET 1 HE3 MET 1 6.686 -0.918 -3.389 12 H ARG 2 H ARG 2 0.018 0.447 -3.154 13 HA ARG 2 HA ARG 2 -0.401 -2.356 -3.950 14 HB2 ARG 2 HB2 ARG 2 -2.313 -0.664 -3.789 15 HB3 ARG 2 HB3 ARG 2 -1.644 0.081 -5.233 16 HG2 ARG 2 HG2 ARG 2 -1.946 -1.978 -6.531 17 HG3 ARG 2 HG3 ARG 2 -2.262 -2.923 -5.081 18 HD2 ARG 2 HD2 ARG 2 -4.092 -0.836 -6.305 19 HD3 ARG 2 HD3 ARG 2 -4.272 -2.586 -6.419 20 HE ARG 2 HE ARG 2 -5.001 -0.856 -4.217 21 HH11 ARG 2 HH11 ARG 2 -4.558 -4.296 -4.978 22 HH12 ARG 2 HH12 ARG 2 -5.060 -4.755 -3.386 23 HH21 ARG 2 HH21 ARG 2 -5.719 -1.582 -2.288 24 HH22 ARG 2 HH22 ARG 2 -5.825 -3.296 -1.968 25 H VAL 3 H VAL 3 0.170 -3.323 -5.734 26 HA VAL 3 HA VAL 3 1.921 -1.921 -7.723 27 HB VAL 3 HB VAL 3 2.098 -4.762 -6.627 28 HG11 VAL 3 HG11 VAL 3 4.147 -4.965 -8.040 29 HG12 VAL 3 HG12 VAL 3 2.685 -4.827 -9.003 30 HG13 VAL 3 HG13 VAL 3 3.756 -3.413 -8.803 31 HG21 VAL 3 HG21 VAL 3 4.354 -4.034 -5.861 32 HG22 VAL 3 HG22 VAL 3 4.009 -2.390 -6.431 33 HG23 VAL 3 HG23 VAL 3 3.071 -3.092 -5.099 34 H ILE 4 H ILE 4 1.499 -2.321 -9.853 35 HA ILE 4 HA ILE 4 -0.540 -4.359 -10.601 36 HB ILE 4 HB ILE 4 -0.591 -1.429 -11.235 37 HG12 ILE 4 HG12 ILE 4 -2.382 -3.558 -10.028 38 HG13 ILE 4 HG13 ILE 4 -1.927 -2.010 -9.345 39 HG21 ILE 4 HG21 ILE 4 -2.040 -3.579 -12.803 40 HG22 ILE 4 HG22 ILE 4 -2.244 -1.823 -12.996 41 HG23 ILE 4 HG23 ILE 4 -0.702 -2.527 -13.404 42 HD11 ILE 4 HD11 ILE 4 -4.004 -2.572 -11.492 43 HD12 ILE 4 HD12 ILE 4 -4.225 -1.829 -9.893 44 HD13 ILE 4 HD13 ILE 4 -3.342 -0.953 -11.181 45 H VAL 5 H VAL 5 -0.261 -5.275 -12.510 46 HA VAL 5 HA VAL 5 1.989 -4.333 -14.204 47 HB VAL 5 HB VAL 5 1.509 -7.277 -13.743 48 HG11 VAL 5 HG11 VAL 5 3.565 -7.556 -15.075 49 HG12 VAL 5 HG12 VAL 5 2.341 -6.693 -16.020 50 HG13 VAL 5 HG13 VAL 5 3.686 -5.797 -15.288 51 HG21 VAL 5 HG21 VAL 5 3.752 -7.294 -12.679 52 HG22 VAL 5 HG22 VAL 5 3.806 -5.523 -12.769 53 HG23 VAL 5 HG23 VAL 5 2.595 -6.328 -11.756 54 H VAL 6 H VAL 6 1.141 -3.654 -16.029 55 HA VAL 6 HA VAL 6 -1.324 -5.018 -17.092 56 HB VAL 6 HB VAL 6 -0.337 -2.260 -17.837 57 HG11 VAL 6 HG11 VAL 6 -2.616 -2.056 -18.788 58 HG12 VAL 6 HG12 VAL 6 -1.646 -3.269 -19.602 59 HG13 VAL 6 HG13 VAL 6 -2.896 -3.787 -18.445 60 HG21 VAL 6 HG21 VAL 6 -1.095 -2.094 -15.547 61 HG22 VAL 6 HG22 VAL 6 -2.411 -1.497 -16.547 62 HG23 VAL 6 HG23 VAL 6 -2.500 -3.142 -15.867 63 H ILE 7 H ILE 7 -1.240 -5.878 -19.157 64 HA ILE 7 HA ILE 7 1.376 -5.685 -20.611 65 HB ILE 7 HB ILE 7 -0.262 -8.210 -20.251 66 HG12 ILE 7 HG12 ILE 7 1.973 -8.937 -19.056 67 HG13 ILE 7 HG13 ILE 7 2.170 -7.210 -18.739 68 HG21 ILE 7 HG21 ILE 7 2.378 -7.673 -21.654 69 HG22 ILE 7 HG22 ILE 7 1.792 -9.292 -21.219 70 HG23 ILE 7 HG23 ILE 7 0.860 -8.311 -22.328 71 HD11 ILE 7 HD11 ILE 7 1.091 -8.642 -16.921 72 HD12 ILE 7 HD12 ILE 7 0.165 -7.207 -17.375 73 HD13 ILE 7 HD13 ILE 7 -0.326 -8.819 -17.965 74 H VAL 8 H VAL 8 1.297 -5.473 -22.844 75 HA VAL 8 HA VAL 8 -1.278 -5.120 -24.167 76 HB VAL 8 HB VAL 8 1.504 -5.342 -25.399 77 HG11 VAL 8 HG11 VAL 8 -1.116 -4.254 -26.535 78 HG12 VAL 8 HG12 VAL 8 0.462 -4.239 -27.354 79 HG13 VAL 8 HG13 VAL 8 -0.349 -5.772 -27.019 80 HG21 VAL 8 HG21 VAL 8 1.355 -2.866 -25.566 81 HG22 VAL 8 HG22 VAL 8 -0.169 -2.898 -24.650 82 HG23 VAL 8 HG23 VAL 8 1.355 -3.394 -23.884 83 H GLY 9 H GLY 9 -2.576 -6.823 -24.550 84 HA2 GLY 9 HA2 GLY 9 -1.661 -9.288 -25.816 85 HA3 GLY 9 HA3 GLY 9 -2.143 -9.478 -24.122 86 HA PRO 10 HA PRO 10 -3.011 -11.661 -25.313 87 HB2 PRO 10 HB2 PRO 10 -4.295 -13.229 -27.131 88 HB3 PRO 10 HB3 PRO 10 -5.019 -12.781 -25.562 89 HG2 PRO 10 HG2 PRO 10 -5.439 -11.422 -28.240 90 HG3 PRO 10 HG3 PRO 10 -6.692 -12.026 -27.108 91 HD2 PRO 10 HD2 PRO 10 -5.925 -9.427 -27.099 92 HD3 PRO 10 HD3 PRO 10 -6.268 -10.285 -25.566 93 H SER 11 H SER 11 -3.012 -9.505 -27.926 94 HA SER 11 HA SER 11 -0.514 -10.715 -29.013 95 HB2 SER 11 HB2 SER 11 -2.809 -9.556 -30.644 96 HB3 SER 11 HB3 SER 11 -1.205 -9.932 -31.290 97 HG SER 11 HG SER 11 -2.754 -11.621 -31.595 98 H GLY 12 H GLY 12 0.927 -9.147 -29.922 99 HA2 GLY 12 HA2 GLY 12 1.144 -6.744 -30.611 100 HA3 GLY 12 HA3 GLY 12 0.534 -6.314 -29.016 101 H ALA 13 H ALA 13 2.070 -8.491 -27.686 102 HA ALA 13 HA ALA 13 4.912 -7.646 -28.102 103 HB1 ALA 13 HB1 ALA 13 3.493 -8.020 -25.430 104 HB2 ALA 13 HB2 ALA 13 5.187 -7.551 -25.679 105 HB3 ALA 13 HB3 ALA 13 3.878 -6.460 -26.183 106 H GLY 14 H GLY 14 2.732 -10.283 -27.798 107 HA2 GLY 14 HA2 GLY 14 4.213 -12.405 -28.535 108 HA3 GLY 14 HA3 GLY 14 4.663 -12.278 -26.832 109 H LYS 15 H LYS 15 3.578 -14.512 -26.989 110 HA LYS 15 HA LYS 15 0.626 -14.287 -26.407 111 HB2 LYS 15 HB2 LYS 15 2.072 -16.452 -27.971 112 HB3 LYS 15 HB3 LYS 15 0.392 -16.538 -27.443 113 HG2 LYS 15 HG2 LYS 15 -0.158 -14.513 -28.750 114 HG3 LYS 15 HG3 LYS 15 1.520 -14.409 -29.312 115 HD2 LYS 15 HD2 LYS 15 1.306 -16.633 -30.383 116 HD3 LYS 15 HD3 LYS 15 -0.384 -16.722 -29.853 117 HE2 LYS 15 HE2 LYS 15 -0.891 -14.651 -31.122 118 HE3 LYS 15 HE3 LYS 15 0.793 -14.545 -31.639 119 HZ1 LYS 15 HZ1 LYS 15 -0.580 -15.579 -33.350 120 HZ2 LYS 15 HZ2 LYS 15 0.494 -16.669 -32.794 121 HZ3 LYS 15 HZ3 LYS 15 -1.068 -16.757 -32.330 122 H THR 16 H THR 16 3.420 -16.526 -25.839 123 HA THR 16 HA THR 16 2.258 -17.556 -23.377 124 HB THR 16 HB THR 16 5.187 -17.613 -24.195 125 HG1 THR 16 HG1 THR 16 4.658 -19.527 -25.232 126 HG21 THR 16 HG21 THR 16 5.143 -19.820 -22.993 127 HG22 THR 16 HG22 THR 16 4.838 -18.455 -21.924 128 HG23 THR 16 HG23 THR 16 3.481 -19.466 -22.481 129 H THR 17 H THR 17 4.371 -14.873 -24.156 130 HA THR 17 HA THR 17 5.634 -14.352 -21.728 131 HB THR 17 HB THR 17 6.162 -13.259 -23.856 132 HG1 THR 17 HG1 THR 17 6.676 -11.303 -22.888 133 HG21 THR 17 HG21 THR 17 3.973 -11.237 -23.296 134 HG22 THR 17 HG22 THR 17 5.000 -11.394 -24.723 135 HG23 THR 17 HG23 THR 17 3.717 -12.595 -24.401 136 H LEU 18 H LEU 18 2.486 -12.864 -22.704 137 HA LEU 18 HA LEU 18 2.023 -11.486 -20.289 138 HB2 LEU 18 HB2 LEU 18 -0.264 -11.270 -21.100 139 HB3 LEU 18 HB3 LEU 18 0.871 -11.099 -22.433 140 HG LEU 18 HG LEU 18 0.345 -13.751 -22.686 141 HD11 LEU 18 HD11 LEU 18 -2.015 -14.222 -22.341 142 HD12 LEU 18 HD12 LEU 18 -1.315 -13.778 -20.784 143 HD13 LEU 18 HD13 LEU 18 -2.299 -12.600 -21.675 144 HD21 LEU 18 HD21 LEU 18 0.091 -12.056 -24.450 145 HD22 LEU 18 HD22 LEU 18 -1.295 -13.151 -24.411 146 HD23 LEU 18 HD23 LEU 18 -1.435 -11.518 -23.698 147 H ASP 19 H ASP 19 1.734 -14.808 -20.965 148 HA ASP 19 HA ASP 19 -0.238 -15.503 -18.900 149 HB2 ASP 19 HB2 ASP 19 0.461 -16.646 -21.209 150 HB3 ASP 19 HB3 ASP 19 1.611 -17.506 -20.218 151 H GLU 20 H GLU 20 3.151 -16.442 -19.514 152 HA GLU 20 HA GLU 20 3.705 -17.325 -16.914 153 HB2 GLU 20 HB2 GLU 20 5.994 -17.385 -17.499 154 HB3 GLU 20 HB3 GLU 20 5.056 -17.828 -18.932 155 HG2 GLU 20 HG2 GLU 20 5.420 -15.631 -19.918 156 HG3 GLU 20 HG3 GLU 20 6.239 -15.059 -18.465 157 H LEU 21 H LEU 21 3.647 -14.105 -18.258 158 HA LEU 21 HA LEU 21 4.945 -12.701 -16.058 159 HB2 LEU 21 HB2 LEU 21 3.211 -11.971 -18.400 160 HB3 LEU 21 HB3 LEU 21 3.272 -10.846 -17.093 161 HG LEU 21 HG LEU 21 4.898 -10.644 -19.145 162 HD11 LEU 21 HD11 LEU 21 5.788 -10.223 -16.256 163 HD12 LEU 21 HD12 LEU 21 6.435 -9.363 -17.673 164 HD13 LEU 21 HD13 LEU 21 4.754 -9.124 -17.186 165 HD21 LEU 21 HD21 LEU 21 6.119 -12.809 -18.884 166 HD22 LEU 21 HD22 LEU 21 7.167 -11.397 -18.777 167 HD23 LEU 21 HD23 LEU 21 6.711 -12.266 -17.300 168 H ALA 22 H ALA 22 1.385 -12.997 -16.850 169 HA ALA 22 HA ALA 22 0.557 -11.892 -14.428 170 HB1 ALA 22 HB1 ALA 22 -0.866 -13.938 -16.188 171 HB2 ALA 22 HB2 ALA 22 -1.638 -12.877 -14.980 172 HB3 ALA 22 HB3 ALA 22 -0.870 -12.174 -16.406 173 H ARG 23 H ARG 23 1.267 -15.281 -15.160 174 HA ARG 23 HA ARG 23 0.531 -16.464 -12.664 175 HB2 ARG 23 HB2 ARG 23 2.524 -17.254 -14.816 176 HB3 ARG 23 HB3 ARG 23 2.124 -18.279 -13.432 177 HG2 ARG 23 HG2 ARG 23 -0.098 -18.613 -14.118 178 HG3 ARG 23 HG3 ARG 23 -0.112 -17.202 -15.166 179 HD2 ARG 23 HD2 ARG 23 -0.140 -19.091 -16.564 180 HD3 ARG 23 HD3 ARG 23 1.451 -18.354 -16.745 181 HE ARG 23 HE ARG 23 1.789 -20.302 -14.783 182 HH11 ARG 23 HH11 ARG 23 0.706 -20.352 -18.126 183 HH12 ARG 23 HH12 ARG 23 1.215 -22.004 -18.366 184 HH21 ARG 23 HH21 ARG 23 2.436 -22.412 -15.163 185 HH22 ARG 23 HH22 ARG 23 2.212 -23.118 -16.740 186 H LYS 24 H LYS 24 3.894 -15.627 -13.736 187 HA LYS 24 HA LYS 24 4.974 -16.106 -11.120 188 HB2 LYS 24 HB2 LYS 24 6.102 -14.655 -13.542 189 HB3 LYS 24 HB3 LYS 24 7.010 -14.865 -12.042 190 HG2 LYS 24 HG2 LYS 24 6.773 -17.290 -12.139 191 HG3 LYS 24 HG3 LYS 24 5.835 -17.188 -13.629 192 HD2 LYS 24 HD2 LYS 24 8.698 -16.184 -13.350 193 HD3 LYS 24 HD3 LYS 24 8.258 -17.808 -13.897 194 HE2 LYS 24 HE2 LYS 24 6.900 -16.801 -15.729 195 HE3 LYS 24 HE3 LYS 24 7.465 -15.204 -15.266 196 HZ1 LYS 24 HZ1 LYS 24 8.782 -16.294 -17.085 197 HZ2 LYS 24 HZ2 LYS 24 9.715 -15.865 -15.806 198 HZ3 LYS 24 HZ3 LYS 24 9.280 -17.421 -16.049 199 H ALA 25 H ALA 25 3.956 -13.034 -12.635 200 HA ALA 25 HA ALA 25 4.680 -11.328 -10.442 201 HB1 ALA 25 HB1 ALA 25 2.366 -11.012 -12.388 202 HB2 ALA 25 HB2 ALA 25 3.111 -9.756 -11.376 203 HB3 ALA 25 HB3 ALA 25 4.044 -10.488 -12.690 204 H LYS 26 H LYS 26 1.254 -12.671 -11.031 205 HA LYS 26 HA LYS 26 0.546 -11.783 -8.460 206 HB2 LYS 26 HB2 LYS 26 -0.988 -12.527 -10.398 207 HB3 LYS 26 HB3 LYS 26 -0.731 -14.180 -9.818 208 HG2 LYS 26 HG2 LYS 26 -2.680 -13.612 -8.665 209 HG3 LYS 26 HG3 LYS 26 -1.465 -13.166 -7.479 210 HD2 LYS 26 HD2 LYS 26 -1.655 -10.782 -8.747 211 HD3 LYS 26 HD3 LYS 26 -3.259 -11.442 -9.134 212 HE2 LYS 26 HE2 LYS 26 -3.028 -12.126 -6.498 213 HE3 LYS 26 HE3 LYS 26 -1.973 -10.706 -6.545 214 HZ1 LYS 26 HZ1 LYS 26 -3.824 -9.401 -7.315 215 HZ2 LYS 26 HZ2 LYS 26 -4.831 -10.697 -7.381 216 HZ3 LYS 26 HZ3 LYS 26 -4.262 -10.150 -5.948 217 H GLU 27 H GLU 27 2.142 -14.861 -9.291 218 HA GLU 27 HA GLU 27 1.904 -16.102 -6.712 219 HB2 GLU 27 HB2 GLU 27 3.865 -16.309 -9.002 220 HB3 GLU 27 HB3 GLU 27 4.206 -17.101 -7.472 221 HG2 GLU 27 HG2 GLU 27 2.099 -18.355 -7.581 222 HG3 GLU 27 HG3 GLU 27 1.622 -17.509 -9.048 223 H GLU 28 H GLU 28 4.500 -13.887 -7.917 224 HA GLU 28 HA GLU 28 5.729 -13.851 -5.238 225 HB2 GLU 28 HB2 GLU 28 7.540 -12.750 -6.194 226 HB3 GLU 28 HB3 GLU 28 7.022 -13.960 -7.371 227 HG2 GLU 28 HG2 GLU 28 5.728 -11.995 -8.484 228 HG3 GLU 28 HG3 GLU 28 6.704 -10.953 -7.467 229 H VAL 29 H VAL 29 3.491 -11.862 -6.912 230 HA VAL 29 HA VAL 29 3.323 -9.963 -4.654 231 HB VAL 29 HB VAL 29 2.882 -8.093 -6.080 232 HG11 VAL 29 HG11 VAL 29 5.564 -9.274 -6.836 233 HG12 VAL 29 HG12 VAL 29 5.129 -7.566 -6.717 234 HG13 VAL 29 HG13 VAL 29 5.205 -8.555 -5.240 235 HG21 VAL 29 HG21 VAL 29 2.294 -9.454 -8.208 236 HG22 VAL 29 HG22 VAL 29 3.296 -7.990 -8.414 237 HG23 VAL 29 HG23 VAL 29 4.044 -9.601 -8.435 238 HA PRO 30 HA PRO 30 -0.717 -12.054 -5.435 239 HB2 PRO 30 HB2 PRO 30 -1.156 -12.772 -2.818 240 HB3 PRO 30 HB3 PRO 30 -0.167 -13.754 -3.962 241 HG2 PRO 30 HG2 PRO 30 0.755 -11.741 -1.896 242 HG3 PRO 30 HG3 PRO 30 1.384 -13.397 -2.176 243 HD2 PRO 30 HD2 PRO 30 2.589 -11.180 -3.243 244 HD3 PRO 30 HD3 PRO 30 2.510 -12.723 -4.150 245 H ASP 31 H ASP 31 0.414 -9.349 -3.858 246 HA ASP 31 HA ASP 31 -2.244 -8.293 -3.012 247 HB2 ASP 31 HB2 ASP 31 0.483 -8.020 -2.026 248 HB3 ASP 31 HB3 ASP 31 -0.110 -6.449 -2.483 249 H ALA 32 H ALA 32 -0.355 -8.388 -5.765 250 HA ALA 32 HA ALA 32 -0.838 -5.643 -6.664 251 HB1 ALA 32 HB1 ALA 32 0.415 -8.041 -8.066 252 HB2 ALA 32 HB2 ALA 32 0.508 -6.366 -8.623 253 HB3 ALA 32 HB3 ALA 32 1.318 -6.832 -7.117 254 H GLU 33 H GLU 33 -1.647 -5.440 -9.064 255 HA GLU 33 HA GLU 33 -3.790 -7.454 -9.674 256 HB2 GLU 33 HB2 GLU 33 -4.103 -4.733 -10.805 257 HB3 GLU 33 HB3 GLU 33 -5.303 -5.884 -10.362 258 HG2 GLU 33 HG2 GLU 33 -3.713 -4.138 -8.428 259 HG3 GLU 33 HG3 GLU 33 -5.315 -3.775 -9.047 260 H ILE 34 H ILE 34 -3.092 -8.712 -11.314 261 HA ILE 34 HA ILE 34 -1.523 -7.426 -13.454 262 HB ILE 34 HB ILE 34 -1.830 -10.391 -13.181 263 HG12 ILE 34 HG12 ILE 34 -1.319 -9.836 -10.897 264 HG13 ILE 34 HG13 ILE 34 0.005 -10.620 -11.667 265 HG21 ILE 34 HG21 ILE 34 -0.049 -8.452 -14.562 266 HG22 ILE 34 HG22 ILE 34 0.748 -9.872 -13.900 267 HG23 ILE 34 HG23 ILE 34 -0.619 -10.032 -15.044 268 HD11 ILE 34 HD11 ILE 34 -0.139 -7.608 -11.120 269 HD12 ILE 34 HD12 ILE 34 0.737 -8.823 -10.180 270 HD13 ILE 34 HD13 ILE 34 1.222 -8.458 -11.857 271 H ARG 35 H ARG 35 -2.383 -7.058 -15.370 272 HA ARG 35 HA ARG 35 -4.471 -8.803 -16.504 273 HB2 ARG 35 HB2 ARG 35 -6.040 -6.952 -16.987 274 HB3 ARG 35 HB3 ARG 35 -5.932 -7.311 -15.293 275 HG2 ARG 35 HG2 ARG 35 -4.365 -5.022 -16.562 276 HG3 ARG 35 HG3 ARG 35 -6.021 -4.927 -15.958 277 HD2 ARG 35 HD2 ARG 35 -4.863 -6.095 -13.816 278 HD3 ARG 35 HD3 ARG 35 -3.480 -5.240 -14.430 279 HE ARG 35 HE ARG 35 -4.880 -3.116 -14.200 280 HH11 ARG 35 HH11 ARG 35 -6.437 -5.939 -12.720 281 HH12 ARG 35 HH12 ARG 35 -7.601 -4.853 -11.966 282 HH21 ARG 35 HH21 ARG 35 -6.486 -1.987 -13.183 283 HH22 ARG 35 HH22 ARG 35 -7.544 -2.898 -12.112 284 H THR 36 H THR 36 -5.233 -8.035 -18.719 285 HA THR 36 HA THR 36 -2.978 -6.774 -20.195 286 HB THR 36 HB THR 36 -3.129 -8.295 -21.982 287 HG1 THR 36 HG1 THR 36 -5.284 -9.622 -20.733 288 HG21 THR 36 HG21 THR 36 -2.039 -9.231 -19.821 289 HG22 THR 36 HG22 THR 36 -3.497 -10.214 -19.652 290 HG23 THR 36 HG23 THR 36 -2.481 -10.368 -21.108 291 H VAL 37 H VAL 37 -3.457 -5.892 -22.295 292 HA VAL 37 HA VAL 37 -6.251 -5.074 -22.884 293 HB VAL 37 HB VAL 37 -6.062 -2.964 -22.580 294 HG11 VAL 37 HG11 VAL 37 -3.484 -3.386 -21.111 295 HG12 VAL 37 HG12 VAL 37 -4.559 -1.957 -21.068 296 HG13 VAL 37 HG13 VAL 37 -5.166 -3.526 -20.476 297 HG21 VAL 37 HG21 VAL 37 -3.365 -2.915 -23.876 298 HG22 VAL 37 HG22 VAL 37 -4.998 -2.364 -24.432 299 HG23 VAL 37 HG23 VAL 37 -4.142 -1.507 -23.146 300 H THR 38 H THR 38 -6.726 -4.751 -24.821 301 HA THR 38 HA THR 38 -4.712 -5.426 -26.974 302 HB THR 38 HB THR 38 -6.435 -7.147 -26.449 303 HG1 THR 38 HG1 THR 38 -6.926 -7.479 -28.643 304 HG21 THR 38 HG21 THR 38 -8.318 -5.417 -26.129 305 HG22 THR 38 HG22 THR 38 -8.437 -5.393 -27.895 306 HG23 THR 38 HG23 THR 38 -8.701 -6.908 -27.006 307 H THR 39 H THR 39 -7.101 -3.119 -26.007 308 HA THR 39 HA THR 39 -6.657 -1.358 -28.349 309 HB THR 39 HB THR 39 -9.271 -1.101 -28.304 310 HG1 THR 39 HG1 THR 39 -10.276 -3.092 -27.745 311 HG21 THR 39 HG21 THR 39 -8.085 -2.108 -30.236 312 HG22 THR 39 HG22 THR 39 -8.202 -3.704 -29.448 313 HG23 THR 39 HG23 THR 39 -9.670 -2.839 -29.929 314 H LYS 40 H LYS 40 -7.877 0.708 -28.075 315 HA LYS 40 HA LYS 40 -7.029 2.062 -25.796 316 HB2 LYS 40 HB2 LYS 40 -8.459 3.923 -26.605 317 HB3 LYS 40 HB3 LYS 40 -7.393 3.192 -27.784 318 HG2 LYS 40 HG2 LYS 40 -9.300 3.723 -28.954 319 HG3 LYS 40 HG3 LYS 40 -9.313 1.984 -28.803 320 HD2 LYS 40 HD2 LYS 40 -11.550 3.041 -28.631 321 HD3 LYS 40 HD3 LYS 40 -11.165 2.045 -27.258 322 HE2 LYS 40 HE2 LYS 40 -12.225 3.972 -26.400 323 HE3 LYS 40 HE3 LYS 40 -10.535 4.132 -25.966 324 HZ1 LYS 40 HZ1 LYS 40 -11.866 5.504 -28.243 325 HZ2 LYS 40 HZ2 LYS 40 -11.433 6.208 -26.844 326 HZ3 LYS 40 HZ3 LYS 40 -10.285 5.681 -27.869 327 H GLU 41 H GLU 41 -9.980 0.325 -26.262 328 HA GLU 41 HA GLU 41 -11.428 1.458 -23.998 329 HB2 GLU 41 HB2 GLU 41 -13.035 -0.328 -24.370 330 HB3 GLU 41 HB3 GLU 41 -12.663 0.554 -25.847 331 HG2 GLU 41 HG2 GLU 41 -11.266 -1.236 -26.658 332 HG3 GLU 41 HG3 GLU 41 -11.487 -2.180 -25.181 333 H ASP 42 H ASP 42 -9.581 -1.570 -24.527 334 HA ASP 42 HA ASP 42 -9.934 -2.521 -21.815 335 HB2 ASP 42 HB2 ASP 42 -7.927 -3.189 -23.976 336 HB3 ASP 42 HB3 ASP 42 -7.898 -3.846 -22.363 337 H ALA 43 H ALA 43 -7.455 -0.494 -23.362 338 HA ALA 43 HA ALA 43 -5.810 -0.277 -21.022 339 HB1 ALA 43 HB1 ALA 43 -6.301 1.554 -23.394 340 HB2 ALA 43 HB2 ALA 43 -5.045 1.832 -22.147 341 HB3 ALA 43 HB3 ALA 43 -5.018 0.357 -23.143 342 H LYS 44 H LYS 44 -8.599 1.666 -22.153 343 HA LYS 44 HA LYS 44 -8.573 3.481 -19.960 344 HB2 LYS 44 HB2 LYS 44 -9.725 3.930 -22.053 345 HB3 LYS 44 HB3 LYS 44 -10.942 2.690 -21.701 346 HG2 LYS 44 HG2 LYS 44 -11.901 3.925 -19.980 347 HG3 LYS 44 HG3 LYS 44 -10.414 4.787 -19.587 348 HD2 LYS 44 HD2 LYS 44 -10.621 6.054 -21.749 349 HD3 LYS 44 HD3 LYS 44 -12.243 5.338 -21.942 350 HE2 LYS 44 HE2 LYS 44 -12.856 6.279 -19.696 351 HE3 LYS 44 HE3 LYS 44 -11.244 6.982 -19.572 352 HZ1 LYS 44 HZ1 LYS 44 -11.756 8.329 -21.549 353 HZ2 LYS 44 HZ2 LYS 44 -13.250 7.680 -21.646 354 HZ3 LYS 44 HZ3 LYS 44 -12.844 8.629 -20.382 355 H ARG 45 H ARG 45 -10.314 0.447 -20.379 356 HA ARG 45 HA ARG 45 -11.754 0.191 -17.956 357 HB2 ARG 45 HB2 ARG 45 -12.165 -1.119 -19.899 358 HB3 ARG 45 HB3 ARG 45 -10.502 -1.659 -19.963 359 HG2 ARG 45 HG2 ARG 45 -10.898 -3.052 -17.898 360 HG3 ARG 45 HG3 ARG 45 -12.631 -2.637 -18.043 361 HD2 ARG 45 HD2 ARG 45 -12.635 -3.538 -20.365 362 HD3 ARG 45 HD3 ARG 45 -10.897 -3.863 -20.249 363 HE ARG 45 HE ARG 45 -12.325 -5.225 -18.159 364 HH11 ARG 45 HH11 ARG 45 -11.534 -5.523 -21.602 365 HH12 ARG 45 HH12 ARG 45 -11.815 -7.234 -21.592 366 HH21 ARG 45 HH21 ARG 45 -12.654 -7.419 -18.259 367 HH22 ARG 45 HH22 ARG 45 -12.437 -8.272 -19.765 368 H VAL 46 H VAL 46 -8.579 -1.355 -18.699 369 HA VAL 46 HA VAL 46 -8.241 -2.300 -16.033 370 HB VAL 46 HB VAL 46 -5.979 -2.752 -16.528 371 HG11 VAL 46 HG11 VAL 46 -6.244 -4.323 -18.376 372 HG12 VAL 46 HG12 VAL 46 -7.738 -4.264 -17.430 373 HG13 VAL 46 HG13 VAL 46 -7.642 -3.441 -18.995 374 HG21 VAL 46 HG21 VAL 46 -5.157 -0.849 -17.643 375 HG22 VAL 46 HG22 VAL 46 -4.857 -2.284 -18.616 376 HG23 VAL 46 HG23 VAL 46 -6.183 -1.166 -19.062 377 H ALA 47 H ALA 47 -7.178 0.743 -17.505 378 HA ALA 47 HA ALA 47 -5.733 1.553 -15.147 379 HB1 ALA 47 HB1 ALA 47 -6.750 3.324 -17.397 380 HB2 ALA 47 HB2 ALA 47 -5.305 3.533 -16.360 381 HB3 ALA 47 HB3 ALA 47 -5.373 2.238 -17.579 382 H GLU 48 H GLU 48 -8.948 2.622 -16.465 383 HA GLU 48 HA GLU 48 -9.601 4.276 -14.256 384 HB2 GLU 48 HB2 GLU 48 -11.769 4.351 -15.030 385 HB3 GLU 48 HB3 GLU 48 -10.810 4.173 -16.497 386 HG2 GLU 48 HG2 GLU 48 -11.306 1.716 -16.466 387 HG3 GLU 48 HG3 GLU 48 -12.270 1.913 -15.050 388 H GLU 49 H GLU 49 -9.435 0.807 -14.473 389 HA GLU 49 HA GLU 49 -10.887 0.390 -11.936 390 HB2 GLU 49 HB2 GLU 49 -10.225 -1.427 -13.915 391 HB3 GLU 49 HB3 GLU 49 -8.843 -1.587 -12.917 392 HG2 GLU 49 HG2 GLU 49 -10.549 -1.763 -10.899 393 HG3 GLU 49 HG3 GLU 49 -11.727 -2.125 -12.163 394 H ALA 50 H ALA 50 -7.445 0.376 -12.961 395 HA ALA 50 HA ALA 50 -6.253 -0.123 -10.450 396 HB1 ALA 50 HB1 ALA 50 -4.983 -0.273 -12.484 397 HB2 ALA 50 HB2 ALA 50 -5.300 1.451 -12.843 398 HB3 ALA 50 HB3 ALA 50 -4.273 1.020 -11.475 399 H GLU 51 H GLU 51 -7.567 2.932 -11.697 400 HA GLU 51 HA GLU 51 -6.307 4.457 -9.509 401 HB2 GLU 51 HB2 GLU 51 -7.272 6.408 -10.500 402 HB3 GLU 51 HB3 GLU 51 -6.533 5.362 -11.729 403 HG2 GLU 51 HG2 GLU 51 -8.365 5.502 -12.944 404 HG3 GLU 51 HG3 GLU 51 -9.233 4.597 -11.714 405 H ARG 52 H ARG 52 -9.011 2.606 -9.781 406 HA ARG 52 HA ARG 52 -10.616 3.913 -7.626 407 HB2 ARG 52 HB2 ARG 52 -10.936 0.984 -8.356 408 HB3 ARG 52 HB3 ARG 52 -12.124 2.084 -7.709 409 HG2 ARG 52 HG2 ARG 52 -10.990 1.998 -10.499 410 HG3 ARG 52 HG3 ARG 52 -12.613 1.502 -10.015 411 HD2 ARG 52 HD2 ARG 52 -12.636 4.109 -9.174 412 HD3 ARG 52 HD3 ARG 52 -11.458 4.187 -10.512 413 HE ARG 52 HE ARG 52 -14.111 2.910 -10.975 414 HH11 ARG 52 HH11 ARG 52 -12.069 5.709 -11.727 415 HH12 ARG 52 HH12 ARG 52 -13.028 6.097 -13.129 416 HH21 ARG 52 HH21 ARG 52 -15.169 3.439 -12.820 417 HH22 ARG 52 HH22 ARG 52 -14.652 4.793 -13.788 418 H ARG 53 H ARG 53 -8.462 1.150 -7.973 419 HA ARG 53 HA ARG 53 -8.396 0.685 -5.047 420 HB2 ARG 53 HB2 ARG 53 -7.288 -1.427 -5.619 421 HB3 ARG 53 HB3 ARG 53 -8.820 -1.266 -6.466 422 HG2 ARG 53 HG2 ARG 53 -6.813 -0.174 -8.205 423 HG3 ARG 53 HG3 ARG 53 -6.124 -1.640 -7.536 424 HD2 ARG 53 HD2 ARG 53 -8.854 -1.505 -8.882 425 HD3 ARG 53 HD3 ARG 53 -7.372 -2.004 -9.677 426 HE ARG 53 HE ARG 53 -7.247 -3.961 -8.226 427 HH11 ARG 53 HH11 ARG 53 -10.429 -2.450 -8.200 428 HH12 ARG 53 HH12 ARG 53 -11.171 -3.954 -7.678 429 HH21 ARG 53 HH21 ARG 53 -8.212 -5.689 -7.583 430 HH22 ARG 53 HH22 ARG 53 -9.947 -5.765 -7.326 431 H ASN 54 H ASN 54 -6.664 2.378 -7.269 432 HA ASN 54 HA ASN 54 -4.987 3.870 -6.964 433 HB2 ASN 54 HB2 ASN 54 -5.687 3.124 -4.168 434 HB3 ASN 54 HB3 ASN 54 -4.284 4.167 -4.451 435 HD21 ASN 54 HD21 ASN 54 -8.120 5.380 -5.396 436 HD22 ASN 54 HD22 ASN 54 -7.793 3.743 -4.907 437 H ALA 55 H ALA 55 -4.054 2.057 -8.205 438 HA ALA 55 HA ALA 55 -1.956 0.444 -7.233 439 HB1 ALA 55 HB1 ALA 55 -2.321 1.637 -9.993 440 HB2 ALA 55 HB2 ALA 55 -1.353 0.216 -9.528 441 HB3 ALA 55 HB3 ALA 55 -3.138 0.200 -9.331 442 H ASP 56 H ASP 56 -0.604 1.633 -5.805 443 HA ASP 56 HA ASP 56 0.622 4.056 -6.217 444 HB2 ASP 56 HB2 ASP 56 0.820 2.026 -4.316 445 HB3 ASP 56 HB3 ASP 56 2.443 2.096 -4.966 446 H ILE 57 H ILE 57 1.665 0.943 -7.537 447 HA ILE 57 HA ILE 57 3.505 2.383 -9.400 448 HB ILE 57 HB ILE 57 4.236 -0.418 -8.596 449 HG12 ILE 57 HG12 ILE 57 4.809 1.948 -6.799 450 HG13 ILE 57 HG13 ILE 57 3.898 0.484 -6.396 451 HG21 ILE 57 HG21 ILE 57 6.468 0.347 -9.175 452 HG22 ILE 57 HG22 ILE 57 5.369 0.929 -10.424 453 HG23 ILE 57 HG23 ILE 57 5.954 2.042 -9.176 454 HD11 ILE 57 HD11 ILE 57 6.877 0.608 -6.914 455 HD12 ILE 57 HD12 ILE 57 6.042 0.332 -5.371 456 HD13 ILE 57 HD13 ILE 57 5.935 -0.881 -6.654 457 H VAL 58 H VAL 58 3.063 1.983 -11.481 458 HA VAL 58 HA VAL 58 1.528 -0.459 -12.295 459 HB VAL 58 HB VAL 58 0.756 1.311 -14.155 460 HG11 VAL 58 HG11 VAL 58 -0.503 0.901 -11.460 461 HG12 VAL 58 HG12 VAL 58 -1.311 1.633 -12.862 462 HG13 VAL 58 HG13 VAL 58 -0.758 -0.041 -12.974 463 HG21 VAL 58 HG21 VAL 58 1.990 3.183 -12.897 464 HG22 VAL 58 HG22 VAL 58 0.287 3.455 -13.280 465 HG23 VAL 58 HG23 VAL 58 0.803 3.016 -11.611 466 H VAL 59 H VAL 59 3.153 -1.682 -12.914 467 HA VAL 59 HA VAL 59 5.179 -0.840 -14.890 468 HB VAL 59 HB VAL 59 4.533 -3.534 -13.605 469 HG11 VAL 59 HG11 VAL 59 5.667 -3.858 -15.780 470 HG12 VAL 59 HG12 VAL 59 6.915 -2.684 -15.315 471 HG13 VAL 59 HG13 VAL 59 6.766 -4.223 -14.448 472 HG21 VAL 59 HG21 VAL 59 6.549 -3.187 -12.280 473 HG22 VAL 59 HG22 VAL 59 6.847 -1.622 -13.063 474 HG23 VAL 59 HG23 VAL 59 5.444 -1.839 -11.989 475 H ILE 60 H ILE 60 4.287 -0.437 -16.869 476 HA ILE 60 HA ILE 60 2.255 -2.226 -18.023 477 HB ILE 60 HB ILE 60 3.723 -0.005 -19.396 478 HG12 ILE 60 HG12 ILE 60 2.735 0.996 -17.255 479 HG13 ILE 60 HG13 ILE 60 2.289 1.728 -18.761 480 HG21 ILE 60 HG21 ILE 60 1.522 0.168 -20.639 481 HG22 ILE 60 HG22 ILE 60 2.441 -1.320 -20.904 482 HG23 ILE 60 HG23 ILE 60 1.031 -1.334 -19.827 483 HD11 ILE 60 HD11 ILE 60 0.572 -0.183 -17.146 484 HD12 ILE 60 HD12 ILE 60 0.400 1.586 -17.281 485 HD13 ILE 60 HD13 ILE 60 0.104 0.575 -18.698 486 H VAL 61 H VAL 61 2.769 -3.755 -19.595 487 HA VAL 61 HA VAL 61 5.620 -4.157 -20.397 488 HB VAL 61 HB VAL 61 3.537 -6.310 -20.096 489 HG11 VAL 61 HG11 VAL 61 6.562 -6.391 -20.369 490 HG12 VAL 61 HG12 VAL 61 5.509 -7.797 -20.118 491 HG13 VAL 61 HG13 VAL 61 5.382 -6.867 -21.610 492 HG21 VAL 61 HG21 VAL 61 5.726 -5.494 -18.120 493 HG22 VAL 61 HG22 VAL 61 3.972 -5.359 -17.851 494 HG23 VAL 61 HG23 VAL 61 4.712 -6.946 -18.008 495 H GLY 62 H GLY 62 5.975 -3.855 -22.506 496 HA2 GLY 62 HA2 GLY 62 4.142 -4.741 -24.611 497 HA3 GLY 62 HA3 GLY 62 4.242 -2.989 -24.422 498 HA PRO 63 HA PRO 63 7.646 -4.679 -27.201 499 HB2 PRO 63 HB2 PRO 63 7.088 -3.231 -29.469 500 HB3 PRO 63 HB3 PRO 63 6.397 -4.840 -29.089 501 HG2 PRO 63 HG2 PRO 63 5.151 -2.113 -28.712 502 HG3 PRO 63 HG3 PRO 63 4.386 -3.617 -29.324 503 HD2 PRO 63 HD2 PRO 63 4.111 -2.714 -26.744 504 HD3 PRO 63 HD3 PRO 63 4.132 -4.455 -27.144 505 H SER 64 H SER 64 6.768 -1.334 -28.116 506 HA SER 64 HA SER 64 9.200 -0.181 -26.881 507 HB2 SER 64 HB2 SER 64 10.156 0.423 -29.081 508 HB3 SER 64 HB3 SER 64 10.066 -1.314 -28.789 509 HG SER 64 HG SER 64 9.296 -1.047 -30.795 510 H GLY 65 H GLY 65 5.999 0.508 -27.925 511 HA2 GLY 65 HA2 GLY 65 4.907 2.517 -27.402 512 HA3 GLY 65 HA3 GLY 65 6.447 3.309 -27.198 513 H SER 66 H SER 66 5.317 5.053 -28.256 514 HA SER 66 HA SER 66 5.064 6.548 -29.898 515 HB2 SER 66 HB2 SER 66 7.154 4.856 -31.281 516 HB3 SER 66 HB3 SER 66 6.772 6.546 -31.639 517 HG SER 66 HG SER 66 8.541 6.369 -30.206 518 H GLY 67 H GLY 67 3.743 3.556 -30.768 519 HA2 GLY 67 HA2 GLY 67 1.755 4.832 -32.269 520 HA3 GLY 67 HA3 GLY 67 2.905 4.269 -33.477 521 H LYS 68 H LYS 68 3.572 1.713 -32.483 522 HA LYS 68 HA LYS 68 1.180 0.205 -33.202 523 HB2 LYS 68 HB2 LYS 68 2.462 -1.680 -33.337 524 HB3 LYS 68 HB3 LYS 68 3.573 -0.422 -33.825 525 HG2 LYS 68 HG2 LYS 68 3.431 -1.763 -31.078 526 HG3 LYS 68 HG3 LYS 68 4.567 -2.183 -32.345 527 HD2 LYS 68 HD2 LYS 68 4.464 0.553 -30.999 528 HD3 LYS 68 HD3 LYS 68 5.512 -0.758 -30.509 529 HE2 LYS 68 HE2 LYS 68 6.455 -0.862 -32.862 530 HE3 LYS 68 HE3 LYS 68 5.500 0.554 -33.280 531 HZ1 LYS 68 HZ1 LYS 68 7.714 1.234 -32.684 532 HZ2 LYS 68 HZ2 LYS 68 6.716 1.743 -31.490 533 HZ3 LYS 68 HZ3 LYS 68 7.658 0.441 -31.261 534 H SER 69 H SER 69 2.485 1.151 -30.170 535 HA SER 69 HA SER 69 0.646 -0.663 -28.661 536 HB2 SER 69 HB2 SER 69 2.386 -0.918 -26.976 537 HB3 SER 69 HB3 SER 69 2.854 -1.538 -28.561 538 HG SER 69 HG SER 69 3.695 0.804 -27.271 539 H THR 70 H THR 70 0.154 2.045 -29.538 540 HA THR 70 HA THR 70 0.063 4.068 -27.721 541 HB THR 70 HB THR 70 -2.542 3.115 -28.906 542 HG1 THR 70 HG1 THR 70 -1.866 3.966 -30.874 543 HG21 THR 70 HG21 THR 70 -1.250 5.869 -28.741 544 HG22 THR 70 HG22 THR 70 -2.875 5.496 -29.375 545 HG23 THR 70 HG23 THR 70 -2.526 5.252 -27.658 546 H LEU 71 H LEU 71 -1.831 1.065 -27.391 547 HA LEU 71 HA LEU 71 -3.589 1.812 -25.340 548 HB2 LEU 71 HB2 LEU 71 -2.412 -0.957 -25.412 549 HB3 LEU 71 HB3 LEU 71 -4.055 -0.427 -25.096 550 HG LEU 71 HG LEU 71 -4.310 -1.549 -27.014 551 HD11 LEU 71 HD11 LEU 71 -4.908 -0.070 -28.781 552 HD12 LEU 71 HD12 LEU 71 -5.136 0.855 -27.279 553 HD13 LEU 71 HD13 LEU 71 -3.731 1.148 -28.316 554 HD21 LEU 71 HD21 LEU 71 -1.940 -1.992 -27.482 555 HD22 LEU 71 HD22 LEU 71 -2.891 -1.633 -28.931 556 HD23 LEU 71 HD23 LEU 71 -1.792 -0.416 -28.292 557 H ALA 72 H ALA 72 -0.234 0.768 -25.109 558 HA ALA 72 HA ALA 72 -0.092 0.573 -22.215 559 HB1 ALA 72 HB1 ALA 72 2.382 0.628 -22.663 560 HB2 ALA 72 HB2 ALA 72 1.541 -0.560 -23.673 561 HB3 ALA 72 HB3 ALA 72 2.062 1.006 -24.347 562 H LYS 73 H LYS 73 0.555 3.172 -24.600 563 HA LYS 73 HA LYS 73 1.268 5.199 -22.678 564 HB2 LYS 73 HB2 LYS 73 1.707 6.342 -24.539 565 HB3 LYS 73 HB3 LYS 73 0.958 5.101 -25.536 566 HG2 LYS 73 HG2 LYS 73 -1.234 6.126 -25.231 567 HG3 LYS 73 HG3 LYS 73 -0.534 7.382 -24.185 568 HD2 LYS 73 HD2 LYS 73 0.516 8.446 -26.011 569 HD3 LYS 73 HD3 LYS 73 0.131 7.093 -27.123 570 HE2 LYS 73 HE2 LYS 73 -2.245 7.361 -26.748 571 HE3 LYS 73 HE3 LYS 73 -2.003 8.508 -25.468 572 HZ1 LYS 73 HZ1 LYS 73 -1.340 8.995 -28.341 573 HZ2 LYS 73 HZ2 LYS 73 -2.629 9.620 -27.567 574 HZ3 LYS 73 HZ3 LYS 73 -1.131 10.089 -27.142 575 H ILE 74 H ILE 74 -1.882 4.160 -24.012 576 HA ILE 74 HA ILE 74 -3.382 6.269 -22.961 577 HB ILE 74 HB ILE 74 -4.175 3.448 -23.748 578 HG12 ILE 74 HG12 ILE 74 -4.772 6.137 -25.065 579 HG13 ILE 74 HG13 ILE 74 -3.370 5.172 -25.468 580 HG21 ILE 74 HG21 ILE 74 -6.076 5.712 -22.987 581 HG22 ILE 74 HG22 ILE 74 -6.542 4.158 -23.690 582 HG23 ILE 74 HG23 ILE 74 -5.856 4.205 -22.072 583 HD11 ILE 74 HD11 ILE 74 -5.019 4.735 -27.135 584 HD12 ILE 74 HD12 ILE 74 -4.946 3.276 -26.146 585 HD13 ILE 74 HD13 ILE 74 -6.273 4.434 -25.915 586 H VAL 75 H VAL 75 -2.813 2.957 -21.564 587 HA VAL 75 HA VAL 75 -4.050 3.402 -19.048 588 HB VAL 75 HB VAL 75 -1.607 1.716 -19.757 589 HG11 VAL 75 HG11 VAL 75 -2.044 0.437 -17.708 590 HG12 VAL 75 HG12 VAL 75 -1.795 2.132 -17.251 591 HG13 VAL 75 HG13 VAL 75 -3.432 1.454 -17.305 592 HG21 VAL 75 HG21 VAL 75 -3.488 0.902 -20.976 593 HG22 VAL 75 HG22 VAL 75 -3.186 -0.198 -19.648 594 HG23 VAL 75 HG23 VAL 75 -4.523 0.964 -19.507 595 H LYS 76 H LYS 76 -0.606 3.960 -20.001 596 HA LYS 76 HA LYS 76 0.216 5.079 -17.523 597 HB2 LYS 76 HB2 LYS 76 1.819 4.370 -19.122 598 HB3 LYS 76 HB3 LYS 76 1.243 5.507 -20.346 599 HG2 LYS 76 HG2 LYS 76 2.342 7.306 -19.412 600 HG3 LYS 76 HG3 LYS 76 2.179 6.708 -17.765 601 HD2 LYS 76 HD2 LYS 76 4.535 6.748 -18.514 602 HD3 LYS 76 HD3 LYS 76 3.959 5.182 -17.967 603 HE2 LYS 76 HE2 LYS 76 5.321 4.755 -19.818 604 HE3 LYS 76 HE3 LYS 76 3.672 4.424 -20.295 605 HZ1 LYS 76 HZ1 LYS 76 4.822 5.600 -21.983 606 HZ2 LYS 76 HZ2 LYS 76 3.678 6.620 -21.437 607 HZ3 LYS 76 HZ3 LYS 76 5.255 6.837 -21.014 608 H LYS 77 H LYS 77 -1.491 6.702 -20.138 609 HA LYS 77 HA LYS 77 -1.299 9.345 -18.886 610 HB2 LYS 77 HB2 LYS 77 -3.110 8.219 -21.073 611 HB3 LYS 77 HB3 LYS 77 -3.255 9.858 -20.503 612 HG2 LYS 77 HG2 LYS 77 -0.744 8.650 -21.748 613 HG3 LYS 77 HG3 LYS 77 -1.919 9.633 -22.590 614 HD2 LYS 77 HD2 LYS 77 -0.118 10.566 -20.315 615 HD3 LYS 77 HD3 LYS 77 0.065 10.930 -22.030 616 HE2 LYS 77 HE2 LYS 77 -2.155 12.099 -21.993 617 HE3 LYS 77 HE3 LYS 77 -2.276 11.774 -20.263 618 HZ1 LYS 77 HZ1 LYS 77 -0.253 13.099 -19.944 619 HZ2 LYS 77 HZ2 LYS 77 -0.150 13.397 -21.546 620 HZ3 LYS 77 HZ3 LYS 77 -1.398 13.990 -20.683 621 H ILE 78 H ILE 78 -3.736 6.752 -18.740 622 HA ILE 78 HA ILE 78 -5.560 8.300 -17.106 623 HB ILE 78 HB ILE 78 -5.313 5.317 -17.437 624 HG12 ILE 78 HG12 ILE 78 -6.434 7.414 -19.114 625 HG13 ILE 78 HG13 ILE 78 -6.033 5.731 -19.441 626 HG21 ILE 78 HG21 ILE 78 -7.484 6.992 -16.075 627 HG22 ILE 78 HG22 ILE 78 -7.634 5.260 -16.447 628 HG23 ILE 78 HG23 ILE 78 -6.419 5.784 -15.307 629 HD11 ILE 78 HD11 ILE 78 -8.644 6.759 -18.306 630 HD12 ILE 78 HD12 ILE 78 -8.353 6.107 -19.934 631 HD13 ILE 78 HD13 ILE 78 -8.240 5.037 -18.528 632 H ILE 79 H ILE 79 -2.804 6.162 -16.197 633 HA ILE 79 HA ILE 79 -3.453 6.621 -13.363 634 HB ILE 79 HB ILE 79 -1.199 4.950 -14.475 635 HG12 ILE 79 HG12 ILE 79 -3.288 4.051 -15.331 636 HG13 ILE 79 HG13 ILE 79 -2.636 3.009 -14.090 637 HG21 ILE 79 HG21 ILE 79 -2.452 5.357 -11.718 638 HG22 ILE 79 HG22 ILE 79 -1.653 3.836 -12.117 639 HG23 ILE 79 HG23 ILE 79 -0.737 5.343 -12.221 640 HD11 ILE 79 HD11 ILE 79 -4.924 5.006 -13.648 641 HD12 ILE 79 HD12 ILE 79 -5.079 3.273 -13.927 642 HD13 ILE 79 HD13 ILE 79 -4.283 3.855 -12.447 643 H ALA 80 H ALA 80 -1.084 7.927 -15.650 644 HA ALA 80 HA ALA 80 0.665 9.009 -13.812 645 HB1 ALA 80 HB1 ALA 80 -0.312 10.203 -16.443 646 HB2 ALA 80 HB2 ALA 80 1.083 10.799 -15.524 647 HB3 ALA 80 HB3 ALA 80 1.120 9.162 -16.178 648 H ARG 81 H ARG 81 -2.531 10.198 -14.779 649 HA ARG 81 HA ARG 81 -2.461 12.614 -13.098 650 HB2 ARG 81 HB2 ARG 81 -4.744 12.993 -13.973 651 HB3 ARG 81 HB3 ARG 81 -3.596 12.669 -15.262 652 HG2 ARG 81 HG2 ARG 81 -5.305 11.341 -15.989 653 HG3 ARG 81 HG3 ARG 81 -4.402 10.180 -15.011 654 HD2 ARG 81 HD2 ARG 81 -6.722 9.855 -14.649 655 HD3 ARG 81 HD3 ARG 81 -6.002 10.440 -13.161 656 HE ARG 81 HE ARG 81 -6.995 12.702 -14.580 657 HH11 ARG 81 HH11 ARG 81 -8.400 9.878 -12.937 658 HH12 ARG 81 HH12 ARG 81 -9.857 10.734 -12.576 659 HH21 ARG 81 HH21 ARG 81 -8.929 13.683 -14.088 660 HH22 ARG 81 HH22 ARG 81 -10.151 12.800 -13.210 661 H ALA 82 H ALA 82 -3.531 9.295 -12.789 662 HA ALA 82 HA ALA 82 -5.457 9.671 -10.722 663 HB1 ALA 82 HB1 ALA 82 -3.641 7.279 -11.243 664 HB2 ALA 82 HB2 ALA 82 -5.141 7.262 -10.317 665 HB3 ALA 82 HB3 ALA 82 -5.193 7.577 -12.070 666 H GLY 83 H GLY 83 -2.006 9.653 -10.701 667 HA2 GLY 83 HA2 GLY 83 -1.032 10.993 -8.838 668 HA3 GLY 83 HA3 GLY 83 -2.023 10.046 -7.724 669 H ALA 84 H ALA 84 -0.426 8.261 -10.298 670 HA ALA 84 HA ALA 84 1.576 7.201 -8.342 671 HB1 ALA 84 HB1 ALA 84 -0.243 5.669 -8.405 672 HB2 ALA 84 HB2 ALA 84 -0.397 5.816 -10.173 673 HB3 ALA 84 HB3 ALA 84 1.006 4.990 -9.487 674 H LYS 85 H LYS 85 3.144 5.717 -9.474 675 HA LYS 85 HA LYS 85 4.252 7.099 -11.867 676 HB2 LYS 85 HB2 LYS 85 6.382 6.060 -11.280 677 HB3 LYS 85 HB3 LYS 85 5.754 7.105 -9.994 678 HG2 LYS 85 HG2 LYS 85 4.903 5.098 -8.796 679 HG3 LYS 85 HG3 LYS 85 5.487 4.069 -10.062 680 HD2 LYS 85 HD2 LYS 85 7.008 4.145 -8.060 681 HD3 LYS 85 HD3 LYS 85 7.768 4.513 -9.593 682 HE2 LYS 85 HE2 LYS 85 8.764 5.917 -8.030 683 HE3 LYS 85 HE3 LYS 85 7.786 6.923 -9.083 684 HZ1 LYS 85 HZ1 LYS 85 6.186 7.173 -7.315 685 HZ2 LYS 85 HZ2 LYS 85 6.937 6.060 -6.365 686 HZ3 LYS 85 HZ3 LYS 85 7.674 7.456 -6.685 687 H THR 86 H THR 86 4.213 6.227 -13.658 688 HA THR 86 HA THR 86 3.690 3.310 -14.000 689 HB THR 86 HB THR 86 2.888 5.310 -16.130 690 HG1 THR 86 HG1 THR 86 1.993 6.371 -14.399 691 HG21 THR 86 HG21 THR 86 1.873 2.677 -15.347 692 HG22 THR 86 HG22 THR 86 0.691 3.846 -15.942 693 HG23 THR 86 HG23 THR 86 2.095 3.441 -16.940 694 H ILE 87 H ILE 87 4.771 2.166 -15.448 695 HA ILE 87 HA ILE 87 6.823 3.565 -17.126 696 HB ILE 87 HB ILE 87 8.469 1.801 -16.415 697 HG12 ILE 87 HG12 ILE 87 6.869 0.248 -15.393 698 HG13 ILE 87 HG13 ILE 87 8.352 0.575 -14.481 699 HG21 ILE 87 HG21 ILE 87 7.639 3.895 -14.396 700 HG22 ILE 87 HG22 ILE 87 9.171 2.983 -14.398 701 HG23 ILE 87 HG23 ILE 87 8.764 4.065 -15.751 702 HD11 ILE 87 HD11 ILE 87 6.586 2.344 -13.310 703 HD12 ILE 87 HD12 ILE 87 5.530 1.032 -13.813 704 HD13 ILE 87 HD13 ILE 87 6.896 0.657 -12.748 705 H GLU 88 H GLU 88 7.878 2.149 -18.640 706 HA GLU 88 HA GLU 88 6.060 0.016 -19.719 707 HB2 GLU 88 HB2 GLU 88 7.358 2.299 -21.221 708 HB3 GLU 88 HB3 GLU 88 6.862 0.810 -22.021 709 HG2 GLU 88 HG2 GLU 88 4.540 1.136 -21.276 710 HG3 GLU 88 HG3 GLU 88 4.989 2.644 -20.492 711 H VAL 89 H VAL 89 7.283 -1.639 -18.863 712 HA VAL 89 HA VAL 89 10.175 -1.744 -19.320 713 HB VAL 89 HB VAL 89 10.251 -3.701 -17.996 714 HG11 VAL 89 HG11 VAL 89 8.413 -1.585 -16.761 715 HG12 VAL 89 HG12 VAL 89 9.391 -2.749 -15.866 716 HG13 VAL 89 HG13 VAL 89 10.184 -1.514 -16.862 717 HG21 VAL 89 HG21 VAL 89 8.209 -4.936 -18.496 718 HG22 VAL 89 HG22 VAL 89 8.269 -4.577 -16.780 719 HG23 VAL 89 HG23 VAL 89 7.217 -3.607 -17.843 720 H THR 90 H THR 90 10.369 -1.667 -21.432 721 HA THR 90 HA THR 90 8.981 -3.180 -23.369 722 HB THR 90 HB THR 90 10.934 -2.421 -24.865 723 HG1 THR 90 HG1 THR 90 12.243 -0.885 -23.968 724 HG21 THR 90 HG21 THR 90 10.157 -0.089 -24.854 725 HG22 THR 90 HG22 THR 90 8.791 -1.199 -24.709 726 HG23 THR 90 HG23 THR 90 9.375 -0.327 -23.272 727 H THR 91 H THR 91 10.074 -4.518 -25.050 728 HA THR 91 HA THR 91 10.684 -7.012 -23.851 729 HB THR 91 HB THR 91 11.197 -7.769 -26.200 730 HG1 THR 91 HG1 THR 91 10.800 -6.280 -27.821 731 HG21 THR 91 HG21 THR 91 8.912 -7.851 -25.272 732 HG22 THR 91 HG22 THR 91 8.618 -6.185 -25.803 733 HG23 THR 91 HG23 THR 91 8.884 -7.475 -27.001 734 H GLU 92 H GLU 92 12.957 -4.598 -25.109 735 HA GLU 92 HA GLU 92 15.206 -6.049 -23.906 736 HB2 GLU 92 HB2 GLU 92 14.723 -5.986 -26.849 737 HB3 GLU 92 HB3 GLU 92 16.319 -5.437 -26.397 738 HG2 GLU 92 HG2 GLU 92 15.093 -8.128 -25.701 739 HG3 GLU 92 HG3 GLU 92 16.324 -7.802 -26.908 740 H GLU 93 H GLU 93 17.226 -4.888 -24.157 741 HA GLU 93 HA GLU 93 18.587 -3.234 -23.540 742 HB2 GLU 93 HB2 GLU 93 17.153 -1.841 -25.809 743 HB3 GLU 93 HB3 GLU 93 18.663 -1.287 -25.068 744 HG2 GLU 93 HG2 GLU 93 19.740 -3.453 -25.661 745 HG3 GLU 93 HG3 GLU 93 18.262 -3.968 -26.462 746 H GLU 94 H GLU 94 15.542 -1.368 -23.981 747 HA GLU 94 HA GLU 94 16.205 0.459 -21.764 748 HB2 GLU 94 HB2 GLU 94 14.023 0.242 -23.830 749 HB3 GLU 94 HB3 GLU 94 13.663 1.094 -22.335 750 HG2 GLU 94 HG2 GLU 94 14.409 2.625 -24.085 751 HG3 GLU 94 HG3 GLU 94 15.404 2.683 -22.645 752 H LEU 95 H LEU 95 14.852 -2.636 -21.946 753 HA LEU 95 HA LEU 95 12.889 -2.869 -20.051 754 HB2 LEU 95 HB2 LEU 95 13.779 -4.659 -21.409 755 HB3 LEU 95 HB3 LEU 95 15.312 -4.629 -20.589 756 HG LEU 95 HG LEU 95 13.699 -6.537 -20.111 757 HD11 LEU 95 HD11 LEU 95 14.386 -6.848 -17.863 758 HD12 LEU 95 HD12 LEU 95 15.704 -6.020 -18.701 759 HD13 LEU 95 HD13 LEU 95 14.637 -5.121 -17.589 760 HD21 LEU 95 HD21 LEU 95 12.010 -6.301 -18.402 761 HD22 LEU 95 HD22 LEU 95 12.355 -4.573 -18.219 762 HD23 LEU 95 HD23 LEU 95 11.637 -5.189 -19.728 763 H ARG 96 H ARG 96 16.386 -3.028 -19.189 764 HA ARG 96 HA ARG 96 15.902 -3.124 -16.374 765 HB2 ARG 96 HB2 ARG 96 17.946 -3.938 -17.541 766 HB3 ARG 96 HB3 ARG 96 18.451 -2.266 -17.809 767 HG2 ARG 96 HG2 ARG 96 18.568 -1.898 -15.367 768 HG3 ARG 96 HG3 ARG 96 17.936 -3.528 -15.074 769 HD2 ARG 96 HD2 ARG 96 19.914 -4.495 -16.201 770 HD3 ARG 96 HD3 ARG 96 20.564 -2.863 -16.461 771 HE ARG 96 HE ARG 96 20.062 -3.050 -13.708 772 HH11 ARG 96 HH11 ARG 96 22.161 -4.745 -15.955 773 HH12 ARG 96 HH12 ARG 96 23.308 -5.165 -14.702 774 HH21 ARG 96 HH21 ARG 96 21.562 -3.611 -12.172 775 HH22 ARG 96 HH22 ARG 96 22.975 -4.530 -12.623 776 H LYS 97 H LYS 97 16.626 -0.372 -18.464 777 HA LYS 97 HA LYS 97 16.791 1.694 -16.485 778 HB2 LYS 97 HB2 LYS 97 15.707 1.942 -19.328 779 HB3 LYS 97 HB3 LYS 97 16.290 3.250 -18.307 780 HG2 LYS 97 HG2 LYS 97 18.567 2.344 -18.371 781 HG3 LYS 97 HG3 LYS 97 18.016 0.932 -19.290 782 HD2 LYS 97 HD2 LYS 97 17.273 2.473 -21.131 783 HD3 LYS 97 HD3 LYS 97 18.009 3.821 -20.239 784 HE2 LYS 97 HE2 LYS 97 20.201 2.640 -20.288 785 HE3 LYS 97 HE3 LYS 97 19.460 1.304 -21.168 786 HZ1 LYS 97 HZ1 LYS 97 18.973 2.781 -22.974 787 HZ2 LYS 97 HZ2 LYS 97 19.616 4.076 -22.200 788 HZ3 LYS 97 HZ3 LYS 97 20.578 2.840 -22.673 789 H ALA 98 H ALA 98 13.964 0.567 -18.388 790 HA ALA 98 HA ALA 98 12.026 2.268 -17.207 791 HB1 ALA 98 HB1 ALA 98 11.770 -0.512 -18.414 792 HB2 ALA 98 HB2 ALA 98 10.432 0.616 -18.136 793 HB3 ALA 98 HB3 ALA 98 11.700 1.028 -19.318 794 H VAL 99 H VAL 99 12.980 -1.102 -16.310 795 HA VAL 99 HA VAL 99 11.059 -1.386 -14.244 796 HB VAL 99 HB VAL 99 13.830 -2.619 -14.599 797 HG11 VAL 99 HG11 VAL 99 11.686 -3.431 -12.593 798 HG12 VAL 99 HG12 VAL 99 13.142 -4.371 -12.981 799 HG13 VAL 99 HG13 VAL 99 13.306 -2.799 -12.206 800 HG21 VAL 99 HG21 VAL 99 11.980 -3.239 -16.262 801 HG22 VAL 99 HG22 VAL 99 12.686 -4.596 -15.377 802 HG23 VAL 99 HG23 VAL 99 11.105 -3.957 -14.896 803 H ALA 100 H ALA 100 14.452 -0.287 -14.147 804 HA ALA 100 HA ALA 100 14.564 0.260 -11.368 805 HB1 ALA 100 HB1 ALA 100 16.134 1.551 -13.631 806 HB2 ALA 100 HB2 ALA 100 16.562 1.576 -11.905 807 HB3 ALA 100 HB3 ALA 100 16.545 0.037 -12.787 808 H LYS 101 H LYS 101 13.524 2.398 -14.044 809 HA LYS 101 HA LYS 101 13.353 4.835 -12.778 810 HB2 LYS 101 HB2 LYS 101 12.991 4.221 -15.237 811 HB3 LYS 101 HB3 LYS 101 11.353 3.752 -14.815 812 HG2 LYS 101 HG2 LYS 101 11.406 5.955 -15.807 813 HG3 LYS 101 HG3 LYS 101 10.886 6.109 -14.125 814 HD2 LYS 101 HD2 LYS 101 13.136 6.880 -13.475 815 HD3 LYS 101 HD3 LYS 101 13.757 6.483 -15.075 816 HE2 LYS 101 HE2 LYS 101 13.489 8.865 -14.929 817 HE3 LYS 101 HE3 LYS 101 12.318 8.240 -16.080 818 HZ1 LYS 101 HZ1 LYS 101 11.360 9.881 -14.542 819 HZ2 LYS 101 HZ2 LYS 101 10.611 8.446 -14.371 820 HZ3 LYS 101 HZ3 LYS 101 11.703 8.943 -13.258 821 H ALA 102 H ALA 102 11.116 2.162 -12.265 822 HA ALA 102 HA ALA 102 9.783 3.838 -10.163 823 HB1 ALA 102 HB1 ALA 102 8.625 2.071 -12.295 824 HB2 ALA 102 HB2 ALA 102 7.660 2.660 -10.918 825 HB3 ALA 102 HB3 ALA 102 8.342 3.826 -12.083 826 H ARG 103 H ARG 103 9.970 0.358 -11.282 827 HA ARG 103 HA ARG 103 9.151 -0.679 -8.728 828 HB2 ARG 103 HB2 ARG 103 9.001 -1.835 -10.930 829 HB3 ARG 103 HB3 ARG 103 10.749 -2.054 -10.934 830 HG2 ARG 103 HG2 ARG 103 9.131 -3.073 -8.588 831 HG3 ARG 103 HG3 ARG 103 9.040 -3.927 -10.127 832 HD2 ARG 103 HD2 ARG 103 11.461 -4.274 -10.158 833 HD3 ARG 103 HD3 ARG 103 11.636 -3.386 -8.635 834 HE ARG 103 HE ARG 103 9.735 -5.517 -8.325 835 HH11 ARG 103 HH11 ARG 103 13.199 -5.070 -8.603 836 HH12 ARG 103 HH12 ARG 103 13.552 -6.546 -7.729 837 HH21 ARG 103 HH21 ARG 103 10.245 -7.374 -7.215 838 HH22 ARG 103 HH22 ARG 103 11.918 -7.812 -6.973 839 H GLY 104 H GLY 104 12.182 0.464 -9.888 840 HA2 GLY 104 HA2 GLY 104 13.667 -0.430 -7.438 841 HA3 GLY 104 HA3 GLY 104 14.362 0.481 -8.791 842 H SER 105 H SER 105 12.796 2.633 -9.127 843 HA SER 105 HA SER 105 13.820 4.423 -7.257 844 HB2 SER 105 HB2 SER 105 13.003 5.004 -9.521 845 HB3 SER 105 HB3 SER 105 11.331 4.821 -8.951 846 HG SER 105 HG SER 105 12.173 7.007 -8.896 847 H TRP 106 H TRP 106 10.513 3.006 -7.228 848 HA TRP 106 HA TRP 106 9.370 4.558 -5.248 849 HB2 TRP 106 HB2 TRP 106 8.362 2.806 -6.736 850 HB3 TRP 106 HB3 TRP 106 8.879 1.585 -5.603 851 HD1 TRP 106 HD1 TRP 106 6.103 3.971 -6.273 852 HE1 TRP 106 HE1 TRP 106 4.493 4.207 -4.357 853 HE3 TRP 106 HE3 TRP 106 8.628 1.246 -2.732 854 HZ2 TRP 106 HZ2 TRP 106 4.414 3.608 -1.525 855 HZ3 TRP 106 HZ3 TRP 106 7.743 1.107 -0.421 856 HH2 TRP 106 HH2 TRP 106 5.663 2.296 0.204 857 H SER 107 H SER 107 11.239 1.508 -4.634 858 HA SER 107 HA SER 107 10.918 1.761 -1.764 859 HB2 SER 107 HB2 SER 107 12.712 0.031 -1.665 860 HB3 SER 107 HB3 SER 107 11.290 -0.433 -2.623 861 HG SER 107 HG SER 107 13.257 -0.938 -3.678 862 H LEU 108 H LEU 108 13.255 2.975 -4.168 863 HA LEU 108 HA LEU 108 15.264 3.770 -2.320 864 HB2 LEU 108 HB2 LEU 108 14.706 3.828 -5.217 865 HB3 LEU 108 HB3 LEU 108 15.331 5.367 -4.690 866 HG LEU 108 HG LEU 108 17.115 3.963 -5.454 867 HD11 LEU 108 HD11 LEU 108 17.317 3.966 -2.424 868 HD12 LEU 108 HD12 LEU 108 18.636 4.042 -3.608 869 HD13 LEU 108 HD13 LEU 108 17.506 5.412 -3.439 870 HD21 LEU 108 HD21 LEU 108 16.088 1.757 -5.117 871 HD22 LEU 108 HD22 LEU 108 17.727 1.829 -4.440 872 HD23 LEU 108 HD23 LEU 108 16.315 1.903 -3.363 873 H GLU 109 H GLU 109 12.231 5.143 -3.299 874 HA GLU 109 HA GLU 109 12.724 7.808 -2.173 875 HB2 GLU 109 HB2 GLU 109 10.023 6.590 -2.807 876 HB3 GLU 109 HB3 GLU 109 10.463 8.294 -2.738 877 HG2 GLU 109 HG2 GLU 109 12.085 7.356 -4.791 878 HG3 GLU 109 HG3 GLU 109 10.675 6.332 -4.940 879 H HIS 110 H HIS 110 10.642 5.020 -1.267 880 HA HIS 110 HA HIS 110 9.755 6.433 1.156 881 HB2 HIS 110 HB2 HIS 110 8.857 3.913 -0.259 882 HB3 HIS 110 HB3 HIS 110 8.148 4.473 1.255 883 HD2 HIS 110 HD2 HIS 110 7.964 5.094 -2.473 884 HE1 HIS 110 HE1 HIS 110 5.570 8.129 -0.683 885 HE2 HIS 110 HE2 HIS 110 6.211 7.013 -2.875 886 H HIS 111 H HIS 111 11.922 3.752 0.533 887 HA HIS 111 HA HIS 111 11.619 2.596 3.202 888 HB2 HIS 111 HB2 HIS 111 13.794 2.198 1.129 889 HB3 HIS 111 HB3 HIS 111 13.710 1.358 2.667 890 HD2 HIS 111 HD2 HIS 111 13.545 -0.979 1.419 891 HE1 HIS 111 HE1 HIS 111 9.520 -0.565 0.087 892 HE2 HIS 111 HE2 HIS 111 11.443 -2.202 0.419 893 H HIS 112 H HIS 112 13.843 4.938 1.824 894 HA HIS 112 HA HIS 112 15.491 6.274 2.550 895 HB2 HIS 112 HB2 HIS 112 13.720 7.175 3.974 896 HB3 HIS 112 HB3 HIS 112 14.149 6.046 5.256 897 HD2 HIS 112 HD2 HIS 112 15.609 9.124 3.388 898 HE1 HIS 112 HE1 HIS 112 17.700 8.781 7.084 899 HE2 HIS 112 HE2 HIS 112 17.377 10.212 5.008 900 H HIS 113 H HIS 113 15.260 3.472 4.726 901 HA HIS 113 HA HIS 113 18.156 2.974 4.515 902 HB2 HIS 113 HB2 HIS 113 17.796 4.534 6.477 903 HB3 HIS 113 HB3 HIS 113 16.763 3.312 7.206 904 HD2 HIS 113 HD2 HIS 113 18.262 2.703 9.280 905 HE1 HIS 113 HE1 HIS 113 21.840 1.618 7.241 906 HE2 HIS 113 HE2 HIS 113 20.680 1.686 9.500 907 H HIS 114 H HIS 114 18.653 0.899 5.810 908 HA HIS 114 HA HIS 114 16.945 -1.257 4.879 909 HB2 HIS 114 HB2 HIS 114 19.502 -1.257 6.524 910 HB3 HIS 114 HB3 HIS 114 18.761 -2.680 5.799 911 HD2 HIS 114 HD2 HIS 114 21.215 0.020 5.008 912 HE1 HIS 114 HE1 HIS 114 20.230 -1.673 1.226 913 HE2 HIS 114 HE2 HIS 114 21.834 -0.133 2.451 914 H HIS 115 H HIS 115 16.113 0.551 7.294 915 HA HIS 115 HA HIS 115 15.800 -0.975 9.667 916 HB2 HIS 115 HB2 HIS 115 15.438 1.464 9.482 917 HB3 HIS 115 HB3 HIS 115 14.026 1.192 8.464 918 HD2 HIS 115 HD2 HIS 115 15.176 0.139 12.058 919 HE1 HIS 115 HE1 HIS 115 11.002 0.978 12.215 920 HE2 HIS 115 HE2 HIS 115 13.032 0.295 13.580 Start of MODEL 16 1 H1 MET 1 H1 MET 1 1.395 1.376 0.644 2 H2 MET 1 H2 MET 1 1.105 -0.231 0.584 3 H3 MET 1 H3 MET 1 -0.047 0.815 0.086 4 HA MET 1 HA MET 1 1.290 1.554 -1.757 5 HB2 MET 1 HB2 MET 1 3.448 1.123 -0.541 6 HB3 MET 1 HB3 MET 1 3.287 -0.592 -0.896 7 HG2 MET 1 HG2 MET 1 3.329 1.591 -3.023 8 HG3 MET 1 HG3 MET 1 4.788 0.843 -2.390 9 HE1 MET 1 HE1 MET 1 5.119 -2.572 -3.871 10 HE2 MET 1 HE2 MET 1 5.958 -1.128 -3.271 11 HE3 MET 1 HE3 MET 1 4.830 -2.011 -2.211 12 H ARG 2 H ARG 2 0.758 0.653 -3.741 13 HA ARG 2 HA ARG 2 -0.227 -2.167 -3.834 14 HB2 ARG 2 HB2 ARG 2 -2.172 -0.484 -3.640 15 HB3 ARG 2 HB3 ARG 2 -1.625 0.170 -5.168 16 HG2 ARG 2 HG2 ARG 2 -1.939 -2.031 -6.282 17 HG3 ARG 2 HG3 ARG 2 -2.278 -2.806 -4.738 18 HD2 ARG 2 HD2 ARG 2 -4.014 -0.718 -6.092 19 HD3 ARG 2 HD3 ARG 2 -4.255 -2.457 -6.193 20 HE ARG 2 HE ARG 2 -4.836 -0.686 -3.946 21 HH11 ARG 2 HH11 ARG 2 -5.054 -4.073 -5.021 22 HH12 ARG 2 HH12 ARG 2 -5.675 -4.570 -3.490 23 HH21 ARG 2 HH21 ARG 2 -5.757 -1.438 -2.082 24 HH22 ARG 2 HH22 ARG 2 -6.193 -3.118 -1.948 25 H VAL 3 H VAL 3 0.252 -3.268 -5.576 26 HA VAL 3 HA VAL 3 1.882 -1.979 -7.732 27 HB VAL 3 HB VAL 3 1.939 -4.814 -6.605 28 HG11 VAL 3 HG11 VAL 3 2.497 -4.888 -9.031 29 HG12 VAL 3 HG12 VAL 3 3.647 -3.556 -8.803 30 HG13 VAL 3 HG13 VAL 3 3.943 -5.138 -8.054 31 HG21 VAL 3 HG21 VAL 3 4.261 -4.216 -5.924 32 HG22 VAL 3 HG22 VAL 3 3.942 -2.539 -6.439 33 HG23 VAL 3 HG23 VAL 3 3.031 -3.262 -5.097 34 H ILE 4 H ILE 4 1.422 -2.346 -9.829 35 HA ILE 4 HA ILE 4 -0.640 -4.346 -10.604 36 HB ILE 4 HB ILE 4 -0.697 -1.410 -11.198 37 HG12 ILE 4 HG12 ILE 4 -2.482 -3.569 -9.998 38 HG13 ILE 4 HG13 ILE 4 -2.015 -2.036 -9.282 39 HG21 ILE 4 HG21 ILE 4 -2.169 -3.531 -12.782 40 HG22 ILE 4 HG22 ILE 4 -2.359 -1.761 -12.928 41 HG23 ILE 4 HG23 ILE 4 -0.840 -2.481 -13.381 42 HD11 ILE 4 HD11 ILE 4 -4.134 -2.579 -11.373 43 HD12 ILE 4 HD12 ILE 4 -4.317 -1.860 -9.758 44 HD13 ILE 4 HD13 ILE 4 -3.484 -0.952 -11.052 45 H VAL 5 H VAL 5 -0.333 -5.251 -12.522 46 HA VAL 5 HA VAL 5 1.920 -4.287 -14.195 47 HB VAL 5 HB VAL 5 1.420 -7.228 -13.735 48 HG11 VAL 5 HG11 VAL 5 3.489 -7.522 -15.026 49 HG12 VAL 5 HG12 VAL 5 2.293 -6.655 -15.995 50 HG13 VAL 5 HG13 VAL 5 3.627 -5.763 -15.244 51 HG21 VAL 5 HG21 VAL 5 2.483 -6.295 -11.720 52 HG22 VAL 5 HG22 VAL 5 3.637 -7.257 -12.644 53 HG23 VAL 5 HG23 VAL 5 3.696 -5.480 -12.725 54 H VAL 6 H VAL 6 1.086 -3.600 -16.014 55 HA VAL 6 HA VAL 6 -1.332 -4.984 -17.129 56 HB VAL 6 HB VAL 6 -0.337 -2.233 -17.892 57 HG11 VAL 6 HG11 VAL 6 -2.874 -3.801 -18.485 58 HG12 VAL 6 HG12 VAL 6 -2.648 -2.070 -18.819 59 HG13 VAL 6 HG13 VAL 6 -1.633 -3.253 -19.648 60 HG21 VAL 6 HG21 VAL 6 -2.463 -1.519 -16.598 61 HG22 VAL 6 HG22 VAL 6 -2.433 -3.159 -15.891 62 HG23 VAL 6 HG23 VAL 6 -1.079 -2.021 -15.629 63 H ILE 7 H ILE 7 -1.215 -5.864 -19.192 64 HA ILE 7 HA ILE 7 1.406 -5.621 -20.642 65 HB ILE 7 HB ILE 7 -0.198 -8.177 -20.366 66 HG12 ILE 7 HG12 ILE 7 2.026 -8.921 -19.171 67 HG13 ILE 7 HG13 ILE 7 2.215 -7.211 -18.801 68 HG21 ILE 7 HG21 ILE 7 1.890 -9.183 -21.357 69 HG22 ILE 7 HG22 ILE 7 0.949 -8.177 -22.438 70 HG23 ILE 7 HG23 ILE 7 2.444 -7.537 -21.717 71 HD11 ILE 7 HD11 ILE 7 1.119 -8.680 -17.019 72 HD12 ILE 7 HD12 ILE 7 0.207 -7.229 -17.449 73 HD13 ILE 7 HD13 ILE 7 -0.284 -8.815 -18.079 74 H VAL 8 H VAL 8 1.332 -5.306 -22.844 75 HA VAL 8 HA VAL 8 -1.240 -4.917 -24.168 76 HB VAL 8 HB VAL 8 1.559 -5.100 -25.362 77 HG11 VAL 8 HG11 VAL 8 -1.075 -4.110 -26.563 78 HG12 VAL 8 HG12 VAL 8 0.524 -3.924 -27.313 79 HG13 VAL 8 HG13 VAL 8 -0.162 -5.534 -27.095 80 HG21 VAL 8 HG21 VAL 8 1.372 -2.630 -25.505 81 HG22 VAL 8 HG22 VAL 8 -0.191 -2.700 -24.658 82 HG23 VAL 8 HG23 VAL 8 1.300 -3.178 -23.826 83 H GLY 9 H GLY 9 -2.531 -6.637 -24.452 84 HA2 GLY 9 HA2 GLY 9 -1.897 -8.755 -26.200 85 HA3 GLY 9 HA3 GLY 9 -1.741 -9.376 -24.553 86 HA PRO 10 HA PRO 10 -2.855 -11.492 -25.404 87 HB2 PRO 10 HB2 PRO 10 -4.405 -12.937 -27.145 88 HB3 PRO 10 HB3 PRO 10 -4.708 -12.814 -25.393 89 HG2 PRO 10 HG2 PRO 10 -5.972 -11.173 -27.607 90 HG3 PRO 10 HG3 PRO 10 -6.792 -12.048 -26.273 91 HD2 PRO 10 HD2 PRO 10 -6.268 -9.396 -26.105 92 HD3 PRO 10 HD3 PRO 10 -6.069 -10.448 -24.673 93 H SER 11 H SER 11 -1.882 -12.705 -27.199 94 HA SER 11 HA SER 11 -0.491 -12.909 -28.922 95 HB2 SER 11 HB2 SER 11 -2.326 -11.044 -30.448 96 HB3 SER 11 HB3 SER 11 -1.135 -12.142 -31.134 97 HG SER 11 HG SER 11 -2.336 -13.887 -30.331 98 H GLY 12 H GLY 12 -0.940 -9.562 -27.960 99 HA2 GLY 12 HA2 GLY 12 1.220 -8.397 -29.432 100 HA3 GLY 12 HA3 GLY 12 0.489 -7.755 -27.967 101 H ALA 13 H ALA 13 3.114 -7.473 -28.507 102 HA ALA 13 HA ALA 13 5.195 -7.530 -27.772 103 HB1 ALA 13 HB1 ALA 13 4.016 -6.901 -25.719 104 HB2 ALA 13 HB2 ALA 13 3.959 -8.599 -25.222 105 HB3 ALA 13 HB3 ALA 13 5.527 -7.773 -25.375 106 H GLY 14 H GLY 14 3.785 -10.749 -27.130 107 HA2 GLY 14 HA2 GLY 14 5.507 -12.316 -28.590 108 HA3 GLY 14 HA3 GLY 14 6.373 -12.121 -27.044 109 H LYS 15 H LYS 15 3.012 -12.654 -28.046 110 HA LYS 15 HA LYS 15 1.339 -13.758 -26.975 111 HB2 LYS 15 HB2 LYS 15 1.462 -16.216 -27.584 112 HB3 LYS 15 HB3 LYS 15 1.625 -15.041 -28.876 113 HG2 LYS 15 HG2 LYS 15 4.013 -15.400 -29.045 114 HG3 LYS 15 HG3 LYS 15 4.034 -16.425 -27.606 115 HD2 LYS 15 HD2 LYS 15 2.536 -18.051 -28.773 116 HD3 LYS 15 HD3 LYS 15 2.585 -17.026 -30.220 117 HE2 LYS 15 HE2 LYS 15 5.068 -17.301 -30.297 118 HE3 LYS 15 HE3 LYS 15 4.993 -18.324 -28.867 119 HZ1 LYS 15 HZ1 LYS 15 3.692 -18.968 -31.459 120 HZ2 LYS 15 HZ2 LYS 15 5.064 -19.647 -30.895 121 HZ3 LYS 15 HZ3 LYS 15 3.650 -19.908 -30.127 122 H THR 16 H THR 16 3.327 -16.488 -26.019 123 HA THR 16 HA THR 16 2.230 -16.883 -23.512 124 HB THR 16 HB THR 16 5.106 -17.532 -24.233 125 HG1 THR 16 HG1 THR 16 4.208 -19.369 -25.216 126 HG21 THR 16 HG21 THR 16 4.568 -18.247 -21.969 127 HG22 THR 16 HG22 THR 16 3.021 -18.945 -22.505 128 HG23 THR 16 HG23 THR 16 4.559 -19.674 -23.012 129 H THR 17 H THR 17 4.659 -14.469 -24.255 130 HA THR 17 HA THR 17 5.837 -13.986 -21.792 131 HB THR 17 HB THR 17 6.312 -12.801 -23.921 132 HG1 THR 17 HG1 THR 17 6.864 -10.918 -22.872 133 HG21 THR 17 HG21 THR 17 4.095 -10.855 -23.172 134 HG22 THR 17 HG22 THR 17 5.109 -10.876 -24.629 135 HG23 THR 17 HG23 THR 17 3.863 -12.123 -24.387 136 H LEU 18 H LEU 18 2.581 -12.715 -22.786 137 HA LEU 18 HA LEU 18 2.119 -11.286 -20.372 138 HB2 LEU 18 HB2 LEU 18 -0.147 -11.067 -21.132 139 HB3 LEU 18 HB3 LEU 18 0.907 -10.996 -22.533 140 HG LEU 18 HG LEU 18 0.326 -13.632 -22.670 141 HD11 LEU 18 HD11 LEU 18 -2.220 -12.492 -21.439 142 HD12 LEU 18 HD12 LEU 18 -1.991 -14.104 -22.139 143 HD13 LEU 18 HD13 LEU 18 -1.168 -13.680 -20.643 144 HD21 LEU 18 HD21 LEU 18 -0.106 -11.950 -24.419 145 HD22 LEU 18 HD22 LEU 18 -1.462 -13.062 -24.248 146 HD23 LEU 18 HD23 LEU 18 -1.578 -11.428 -23.545 147 H ASP 19 H ASP 19 1.993 -14.585 -21.034 148 HA ASP 19 HA ASP 19 0.012 -15.415 -19.028 149 HB2 ASP 19 HB2 ASP 19 0.785 -16.463 -21.361 150 HB3 ASP 19 HB3 ASP 19 1.964 -17.301 -20.381 151 H GLU 20 H GLU 20 3.462 -16.137 -19.640 152 HA GLU 20 HA GLU 20 3.988 -17.093 -17.041 153 HB2 GLU 20 HB2 GLU 20 6.287 -17.088 -17.602 154 HB3 GLU 20 HB3 GLU 20 5.394 -17.489 -19.074 155 HG2 GLU 20 HG2 GLU 20 5.684 -15.169 -19.882 156 HG3 GLU 20 HG3 GLU 20 6.557 -14.751 -18.413 157 H LEU 21 H LEU 21 3.821 -13.845 -18.334 158 HA LEU 21 HA LEU 21 5.022 -12.454 -16.069 159 HB2 LEU 21 HB2 LEU 21 3.292 -11.742 -18.424 160 HB3 LEU 21 HB3 LEU 21 3.267 -10.649 -17.092 161 HG LEU 21 HG LEU 21 4.913 -10.301 -19.093 162 HD11 LEU 21 HD11 LEU 21 4.696 -8.908 -17.032 163 HD12 LEU 21 HD12 LEU 21 5.827 -9.984 -16.197 164 HD13 LEU 21 HD13 LEU 21 6.376 -9.010 -17.579 165 HD21 LEU 21 HD21 LEU 21 7.210 -10.998 -18.742 166 HD22 LEU 21 HD22 LEU 21 6.774 -11.920 -17.285 167 HD23 LEU 21 HD23 LEU 21 6.221 -12.444 -18.891 168 H ALA 22 H ALA 22 1.508 -12.899 -16.933 169 HA ALA 22 HA ALA 22 0.568 -11.908 -14.490 170 HB1 ALA 22 HB1 ALA 22 -0.712 -13.949 -16.345 171 HB2 ALA 22 HB2 ALA 22 -1.549 -13.023 -15.085 172 HB3 ALA 22 HB3 ALA 22 -0.836 -12.179 -16.462 173 H ARG 23 H ARG 23 1.360 -15.261 -15.328 174 HA ARG 23 HA ARG 23 0.719 -16.586 -12.896 175 HB2 ARG 23 HB2 ARG 23 2.796 -17.113 -15.050 176 HB3 ARG 23 HB3 ARG 23 2.506 -18.232 -13.714 177 HG2 ARG 23 HG2 ARG 23 0.315 -18.750 -14.407 178 HG3 ARG 23 HG3 ARG 23 0.174 -17.314 -15.418 179 HD2 ARG 23 HD2 ARG 23 0.380 -19.245 -16.822 180 HD3 ARG 23 HD3 ARG 23 1.787 -18.204 -17.025 181 HE ARG 23 HE ARG 23 2.391 -20.219 -15.081 182 HH11 ARG 23 HH11 ARG 23 1.741 -19.969 -18.520 183 HH12 ARG 23 HH12 ARG 23 2.874 -21.224 -18.935 184 HH21 ARG 23 HH21 ARG 23 3.820 -21.855 -15.675 185 HH22 ARG 23 HH22 ARG 23 3.988 -22.304 -17.356 186 H LYS 24 H LYS 24 4.027 -15.501 -13.878 187 HA LYS 24 HA LYS 24 5.122 -16.086 -11.284 188 HB2 LYS 24 HB2 LYS 24 6.189 -14.376 -13.552 189 HB3 LYS 24 HB3 LYS 24 7.099 -14.769 -12.086 190 HG2 LYS 24 HG2 LYS 24 6.864 -17.178 -12.538 191 HG3 LYS 24 HG3 LYS 24 6.022 -16.842 -14.045 192 HD2 LYS 24 HD2 LYS 24 8.903 -16.027 -13.400 193 HD3 LYS 24 HD3 LYS 24 8.408 -17.441 -14.318 194 HE2 LYS 24 HE2 LYS 24 8.867 -16.074 -16.061 195 HE3 LYS 24 HE3 LYS 24 7.159 -15.728 -15.866 196 HZ1 LYS 24 HZ1 LYS 24 8.524 -13.710 -16.095 197 HZ2 LYS 24 HZ2 LYS 24 7.790 -13.709 -14.636 198 HZ3 LYS 24 HZ3 LYS 24 9.378 -14.073 -14.765 199 H ALA 25 H ALA 25 4.041 -12.943 -12.660 200 HA ALA 25 HA ALA 25 4.705 -11.327 -10.377 201 HB1 ALA 25 HB1 ALA 25 2.458 -10.961 -12.387 202 HB2 ALA 25 HB2 ALA 25 3.155 -9.732 -11.310 203 HB3 ALA 25 HB3 ALA 25 4.138 -10.413 -12.613 204 H LYS 26 H LYS 26 1.307 -12.691 -11.112 205 HA LYS 26 HA LYS 26 0.523 -11.902 -8.520 206 HB2 LYS 26 HB2 LYS 26 -0.961 -12.587 -10.525 207 HB3 LYS 26 HB3 LYS 26 -0.710 -14.254 -9.998 208 HG2 LYS 26 HG2 LYS 26 -2.648 -13.780 -8.821 209 HG3 LYS 26 HG3 LYS 26 -1.469 -13.248 -7.621 210 HD2 LYS 26 HD2 LYS 26 -1.759 -10.900 -8.953 211 HD3 LYS 26 HD3 LYS 26 -3.329 -11.636 -9.324 212 HE2 LYS 26 HE2 LYS 26 -3.159 -12.239 -6.681 213 HE3 LYS 26 HE3 LYS 26 -2.056 -10.857 -6.734 214 HZ1 LYS 26 HZ1 LYS 26 -4.366 -10.240 -6.185 215 HZ2 LYS 26 HZ2 LYS 26 -3.846 -9.501 -7.537 216 HZ3 LYS 26 HZ3 LYS 26 -4.888 -10.769 -7.642 217 H GLU 27 H GLU 27 2.190 -14.934 -9.454 218 HA GLU 27 HA GLU 27 1.956 -16.317 -6.978 219 HB2 GLU 27 HB2 GLU 27 3.923 -16.385 -9.191 220 HB3 GLU 27 HB3 GLU 27 4.330 -17.150 -7.660 221 HG2 GLU 27 HG2 GLU 27 1.594 -17.605 -8.905 222 HG3 GLU 27 HG3 GLU 27 3.000 -18.475 -9.462 223 H GLU 28 H GLU 28 4.493 -13.923 -7.949 224 HA GLU 28 HA GLU 28 5.650 -13.976 -5.245 225 HB2 GLU 28 HB2 GLU 28 7.480 -12.811 -6.128 226 HB3 GLU 28 HB3 GLU 28 7.023 -14.018 -7.323 227 HG2 GLU 28 HG2 GLU 28 5.731 -12.116 -8.505 228 HG3 GLU 28 HG3 GLU 28 6.572 -11.023 -7.423 229 H VAL 29 H VAL 29 3.454 -11.963 -6.917 230 HA VAL 29 HA VAL 29 3.193 -10.099 -4.623 231 HB VAL 29 HB VAL 29 2.770 -8.213 -6.032 232 HG11 VAL 29 HG11 VAL 29 5.046 -7.640 -6.575 233 HG12 VAL 29 HG12 VAL 29 5.075 -8.654 -5.108 234 HG13 VAL 29 HG13 VAL 29 5.500 -9.336 -6.697 235 HG21 VAL 29 HG21 VAL 29 2.293 -9.523 -8.216 236 HG22 VAL 29 HG22 VAL 29 3.294 -8.054 -8.349 237 HG23 VAL 29 HG23 VAL 29 4.045 -9.668 -8.370 238 HA PRO 30 HA PRO 30 -0.830 -12.163 -5.604 239 HB2 PRO 30 HB2 PRO 30 -1.376 -12.879 -2.999 240 HB3 PRO 30 HB3 PRO 30 -0.394 -13.879 -4.130 241 HG2 PRO 30 HG2 PRO 30 0.545 -11.921 -2.020 242 HG3 PRO 30 HG3 PRO 30 1.117 -13.595 -2.308 243 HD2 PRO 30 HD2 PRO 30 2.443 -11.433 -3.317 244 HD3 PRO 30 HD3 PRO 30 2.292 -12.931 -4.283 245 H ASP 31 H ASP 31 0.267 -9.483 -3.891 246 HA ASP 31 HA ASP 31 -2.324 -8.364 -2.992 247 HB2 ASP 31 HB2 ASP 31 -0.080 -8.044 -1.866 248 HB3 ASP 31 HB3 ASP 31 0.466 -7.185 -3.286 249 H ALA 32 H ALA 32 -0.197 -8.330 -5.761 250 HA ALA 32 HA ALA 32 -0.979 -5.757 -6.772 251 HB1 ALA 32 HB1 ALA 32 0.514 -8.058 -8.106 252 HB2 ALA 32 HB2 ALA 32 0.571 -6.366 -8.630 253 HB3 ALA 32 HB3 ALA 32 1.282 -6.846 -7.061 254 H GLU 33 H GLU 33 -1.784 -5.436 -9.074 255 HA GLU 33 HA GLU 33 -3.821 -7.539 -9.787 256 HB2 GLU 33 HB2 GLU 33 -4.188 -4.784 -10.815 257 HB3 GLU 33 HB3 GLU 33 -5.366 -5.982 -10.424 258 HG2 GLU 33 HG2 GLU 33 -3.787 -4.327 -8.390 259 HG3 GLU 33 HG3 GLU 33 -5.375 -3.952 -9.011 260 H ILE 34 H ILE 34 -3.067 -8.763 -11.382 261 HA ILE 34 HA ILE 34 -1.524 -7.487 -13.529 262 HB ILE 34 HB ILE 34 -1.803 -10.465 -13.252 263 HG12 ILE 34 HG12 ILE 34 -1.309 -9.880 -10.980 264 HG13 ILE 34 HG13 ILE 34 0.029 -10.647 -11.762 265 HG21 ILE 34 HG21 ILE 34 -0.046 -8.485 -14.629 266 HG22 ILE 34 HG22 ILE 34 0.764 -9.905 -13.970 267 HG23 ILE 34 HG23 ILE 34 -0.588 -10.067 -15.127 268 HD11 ILE 34 HD11 ILE 34 -0.142 -7.635 -11.227 269 HD12 ILE 34 HD12 ILE 34 0.705 -8.848 -10.250 270 HD13 ILE 34 HD13 ILE 34 1.239 -8.511 -11.913 271 H ARG 35 H ARG 35 -2.397 -7.081 -15.424 272 HA ARG 35 HA ARG 35 -4.439 -8.854 -16.613 273 HB2 ARG 35 HB2 ARG 35 -6.003 -6.979 -17.163 274 HB3 ARG 35 HB3 ARG 35 -5.995 -7.449 -15.499 275 HG2 ARG 35 HG2 ARG 35 -4.363 -5.072 -16.476 276 HG3 ARG 35 HG3 ARG 35 -6.066 -5.006 -15.986 277 HD2 ARG 35 HD2 ARG 35 -4.967 -6.449 -13.924 278 HD3 ARG 35 HD3 ARG 35 -3.649 -5.369 -14.299 279 HE ARG 35 HE ARG 35 -6.337 -4.881 -13.144 280 HH11 ARG 35 HH11 ARG 35 -3.874 -2.994 -14.749 281 HH12 ARG 35 HH12 ARG 35 -4.664 -1.498 -14.266 282 HH21 ARG 35 HH21 ARG 35 -7.181 -3.136 -12.598 283 HH22 ARG 35 HH22 ARG 35 -6.600 -1.618 -13.224 284 H THR 36 H THR 36 -5.175 -8.035 -18.835 285 HA THR 36 HA THR 36 -2.920 -6.697 -20.232 286 HB THR 36 HB THR 36 -3.032 -8.133 -22.096 287 HG1 THR 36 HG1 THR 36 -4.990 -8.710 -22.534 288 HG21 THR 36 HG21 THR 36 -3.425 -10.196 -19.914 289 HG22 THR 36 HG22 THR 36 -2.337 -10.203 -21.319 290 HG23 THR 36 HG23 THR 36 -1.997 -9.163 -19.924 291 H VAL 37 H VAL 37 -3.410 -5.749 -22.334 292 HA VAL 37 HA VAL 37 -6.213 -4.938 -22.832 293 HB VAL 37 HB VAL 37 -6.021 -2.860 -22.365 294 HG11 VAL 37 HG11 VAL 37 -4.330 -1.847 -21.075 295 HG12 VAL 37 HG12 VAL 37 -4.712 -3.459 -20.455 296 HG13 VAL 37 HG13 VAL 37 -3.201 -3.197 -21.389 297 HG21 VAL 37 HG21 VAL 37 -3.492 -2.742 -24.026 298 HG22 VAL 37 HG22 VAL 37 -5.175 -2.211 -24.420 299 HG23 VAL 37 HG23 VAL 37 -4.202 -1.360 -23.218 300 H THR 38 H THR 38 -6.721 -4.510 -24.845 301 HA THR 38 HA THR 38 -4.687 -5.121 -26.978 302 HB THR 38 HB THR 38 -5.931 -7.115 -26.492 303 HG1 THR 38 HG1 THR 38 -6.539 -7.546 -28.583 304 HG21 THR 38 HG21 THR 38 -8.416 -5.555 -27.290 305 HG22 THR 38 HG22 THR 38 -8.327 -7.322 -27.070 306 HG23 THR 38 HG23 THR 38 -8.057 -6.254 -25.694 307 H THR 39 H THR 39 -7.516 -3.239 -26.095 308 HA THR 39 HA THR 39 -6.907 -1.354 -28.309 309 HB THR 39 HB THR 39 -9.623 -1.108 -28.190 310 HG1 THR 39 HG1 THR 39 -9.533 -3.267 -26.930 311 HG21 THR 39 HG21 THR 39 -8.139 -3.079 -29.942 312 HG22 THR 39 HG22 THR 39 -9.715 -2.331 -30.287 313 HG23 THR 39 HG23 THR 39 -8.255 -1.321 -30.219 314 H LYS 40 H LYS 40 -8.121 0.728 -28.030 315 HA LYS 40 HA LYS 40 -7.194 2.024 -25.773 316 HB2 LYS 40 HB2 LYS 40 -8.402 3.932 -26.451 317 HB3 LYS 40 HB3 LYS 40 -7.881 3.104 -27.907 318 HG2 LYS 40 HG2 LYS 40 -10.695 3.104 -26.715 319 HG3 LYS 40 HG3 LYS 40 -10.119 4.124 -28.024 320 HD2 LYS 40 HD2 LYS 40 -9.743 2.052 -29.422 321 HD3 LYS 40 HD3 LYS 40 -10.460 1.098 -28.113 322 HE2 LYS 40 HE2 LYS 40 -12.190 1.446 -29.689 323 HE3 LYS 40 HE3 LYS 40 -12.554 2.460 -28.296 324 HZ1 LYS 40 HZ1 LYS 40 -11.322 3.422 -30.825 325 HZ2 LYS 40 HZ2 LYS 40 -12.874 3.637 -30.414 326 HZ3 LYS 40 HZ3 LYS 40 -11.713 4.372 -29.548 327 H GLU 41 H GLU 41 -10.157 0.307 -26.104 328 HA GLU 41 HA GLU 41 -11.529 1.437 -23.805 329 HB2 GLU 41 HB2 GLU 41 -13.174 -0.373 -24.233 330 HB3 GLU 41 HB3 GLU 41 -12.765 0.560 -25.692 331 HG2 GLU 41 HG2 GLU 41 -11.318 -1.223 -26.498 332 HG3 GLU 41 HG3 GLU 41 -11.612 -2.184 -25.051 333 H ASP 42 H ASP 42 -9.569 -1.437 -24.414 334 HA ASP 42 HA ASP 42 -9.947 -2.619 -21.808 335 HB2 ASP 42 HB2 ASP 42 -7.686 -2.903 -23.840 336 HB3 ASP 42 HB3 ASP 42 -7.972 -3.936 -22.454 337 H ALA 43 H ALA 43 -7.506 -0.512 -23.301 338 HA ALA 43 HA ALA 43 -5.838 -0.245 -20.970 339 HB1 ALA 43 HB1 ALA 43 -6.350 1.593 -23.343 340 HB2 ALA 43 HB2 ALA 43 -5.217 1.977 -22.023 341 HB3 ALA 43 HB3 ALA 43 -4.952 0.530 -22.996 342 H LYS 44 H LYS 44 -8.720 1.557 -22.053 343 HA LYS 44 HA LYS 44 -8.737 3.352 -19.853 344 HB2 LYS 44 HB2 LYS 44 -9.923 3.760 -21.951 345 HB3 LYS 44 HB3 LYS 44 -11.121 2.519 -21.555 346 HG2 LYS 44 HG2 LYS 44 -12.007 3.774 -19.776 347 HG3 LYS 44 HG3 LYS 44 -10.510 4.674 -19.513 348 HD2 LYS 44 HD2 LYS 44 -10.863 5.807 -21.741 349 HD3 LYS 44 HD3 LYS 44 -12.502 5.118 -21.757 350 HE2 LYS 44 HE2 LYS 44 -12.902 6.214 -19.519 351 HE3 LYS 44 HE3 LYS 44 -11.285 6.900 -19.587 352 HZ1 LYS 44 HZ1 LYS 44 -13.449 7.486 -21.532 353 HZ2 LYS 44 HZ2 LYS 44 -12.920 8.498 -20.371 354 HZ3 LYS 44 HZ3 LYS 44 -11.940 8.097 -21.609 355 H ARG 45 H ARG 45 -10.416 0.190 -20.230 356 HA ARG 45 HA ARG 45 -11.684 0.396 -17.665 357 HB2 ARG 45 HB2 ARG 45 -12.691 -1.616 -18.088 358 HB3 ARG 45 HB3 ARG 45 -12.399 -0.936 -19.671 359 HG2 ARG 45 HG2 ARG 45 -10.304 -2.516 -19.702 360 HG3 ARG 45 HG3 ARG 45 -11.156 -3.359 -18.387 361 HD2 ARG 45 HD2 ARG 45 -13.149 -3.611 -19.795 362 HD3 ARG 45 HD3 ARG 45 -12.439 -2.591 -21.040 363 HE ARG 45 HE ARG 45 -11.150 -4.322 -21.862 364 HH11 ARG 45 HH11 ARG 45 -12.806 -5.574 -19.030 365 HH12 ARG 45 HH12 ARG 45 -12.627 -7.219 -19.606 366 HH21 ARG 45 HH21 ARG 45 -10.949 -6.246 -22.464 367 HH22 ARG 45 HH22 ARG 45 -11.569 -7.623 -21.561 368 H VAL 46 H VAL 46 -8.763 -1.489 -18.585 369 HA VAL 46 HA VAL 46 -8.227 -2.351 -15.906 370 HB VAL 46 HB VAL 46 -6.072 -2.839 -16.490 371 HG11 VAL 46 HG11 VAL 46 -7.829 -4.307 -17.459 372 HG12 VAL 46 HG12 VAL 46 -7.723 -3.422 -18.987 373 HG13 VAL 46 HG13 VAL 46 -6.323 -4.326 -18.412 374 HG21 VAL 46 HG21 VAL 46 -6.185 -1.137 -18.943 375 HG22 VAL 46 HG22 VAL 46 -5.156 -0.976 -17.484 376 HG23 VAL 46 HG23 VAL 46 -4.930 -2.357 -18.551 377 H ALA 47 H ALA 47 -7.173 0.693 -17.520 378 HA ALA 47 HA ALA 47 -5.732 1.530 -15.184 379 HB1 ALA 47 HB1 ALA 47 -6.803 3.292 -17.394 380 HB2 ALA 47 HB2 ALA 47 -5.340 3.512 -16.363 381 HB3 ALA 47 HB3 ALA 47 -5.409 2.227 -17.599 382 H GLU 48 H GLU 48 -8.958 2.643 -16.420 383 HA GLU 48 HA GLU 48 -9.544 4.320 -14.240 384 HB2 GLU 48 HB2 GLU 48 -11.751 4.355 -14.924 385 HB3 GLU 48 HB3 GLU 48 -10.826 4.146 -16.390 386 HG2 GLU 48 HG2 GLU 48 -12.209 2.423 -16.863 387 HG3 GLU 48 HG3 GLU 48 -11.350 1.512 -15.632 388 H GLU 49 H GLU 49 -9.508 0.838 -14.402 389 HA GLU 49 HA GLU 49 -10.927 0.319 -11.890 390 HB2 GLU 49 HB2 GLU 49 -10.517 -1.362 -13.754 391 HB3 GLU 49 HB3 GLU 49 -8.848 -1.456 -13.231 392 HG2 GLU 49 HG2 GLU 49 -9.708 -2.109 -10.906 393 HG3 GLU 49 HG3 GLU 49 -11.307 -2.242 -11.628 394 H ALA 50 H ALA 50 -7.533 0.366 -12.904 395 HA ALA 50 HA ALA 50 -6.318 -0.086 -10.375 396 HB1 ALA 50 HB1 ALA 50 -5.008 -0.192 -12.407 397 HB2 ALA 50 HB2 ALA 50 -5.354 1.532 -12.738 398 HB3 ALA 50 HB3 ALA 50 -4.339 1.080 -11.353 399 H GLU 51 H GLU 51 -7.653 2.974 -11.668 400 HA GLU 51 HA GLU 51 -6.454 4.468 -9.419 401 HB2 GLU 51 HB2 GLU 51 -7.335 6.430 -10.307 402 HB3 GLU 51 HB3 GLU 51 -6.792 5.447 -11.680 403 HG2 GLU 51 HG2 GLU 51 -9.014 4.950 -12.318 404 HG3 GLU 51 HG3 GLU 51 -9.699 5.606 -10.828 405 H ARG 52 H ARG 52 -9.171 2.602 -9.783 406 HA ARG 52 HA ARG 52 -10.864 3.816 -7.680 407 HB2 ARG 52 HB2 ARG 52 -10.882 0.843 -8.277 408 HB3 ARG 52 HB3 ARG 52 -12.179 1.837 -7.661 409 HG2 ARG 52 HG2 ARG 52 -11.029 1.842 -10.445 410 HG3 ARG 52 HG3 ARG 52 -12.581 1.124 -9.944 411 HD2 ARG 52 HD2 ARG 52 -13.143 3.593 -9.230 412 HD3 ARG 52 HD3 ARG 52 -11.794 4.002 -10.322 413 HE ARG 52 HE ARG 52 -13.081 2.641 -12.075 414 HH11 ARG 52 HH11 ARG 52 -14.851 4.463 -9.649 415 HH12 ARG 52 HH12 ARG 52 -16.251 4.609 -10.692 416 HH21 ARG 52 HH21 ARG 52 -14.782 2.895 -13.294 417 HH22 ARG 52 HH22 ARG 52 -16.225 3.733 -12.745 418 H ARG 53 H ARG 53 -8.362 1.409 -7.813 419 HA ARG 53 HA ARG 53 -8.347 0.971 -4.865 420 HB2 ARG 53 HB2 ARG 53 -7.329 -1.167 -5.402 421 HB3 ARG 53 HB3 ARG 53 -8.833 -0.963 -6.311 422 HG2 ARG 53 HG2 ARG 53 -6.897 0.043 -8.070 423 HG3 ARG 53 HG3 ARG 53 -6.003 -1.221 -7.254 424 HD2 ARG 53 HD2 ARG 53 -8.683 -1.623 -8.629 425 HD3 ARG 53 HD3 ARG 53 -7.117 -2.076 -9.288 426 HE ARG 53 HE ARG 53 -6.847 -3.598 -7.276 427 HH11 ARG 53 HH11 ARG 53 -10.139 -2.909 -8.326 428 HH12 ARG 53 HH12 ARG 53 -10.713 -4.415 -7.647 429 HH21 ARG 53 HH21 ARG 53 -7.593 -5.389 -6.535 430 HH22 ARG 53 HH22 ARG 53 -9.297 -5.806 -6.619 431 H ASN 54 H ASN 54 -6.619 2.594 -7.144 432 HA ASN 54 HA ASN 54 -4.882 4.027 -6.904 433 HB2 ASN 54 HB2 ASN 54 -5.526 3.331 -4.079 434 HB3 ASN 54 HB3 ASN 54 -4.106 4.338 -4.422 435 HD21 ASN 54 HD21 ASN 54 -7.958 5.619 -5.250 436 HD22 ASN 54 HD22 ASN 54 -7.632 3.993 -4.704 437 H ALA 55 H ALA 55 -4.071 2.151 -8.146 438 HA ALA 55 HA ALA 55 -1.962 0.500 -7.177 439 HB1 ALA 55 HB1 ALA 55 -2.414 1.589 -9.965 440 HB2 ALA 55 HB2 ALA 55 -1.414 0.192 -9.475 441 HB3 ALA 55 HB3 ALA 55 -3.200 0.177 -9.231 442 H ASP 56 H ASP 56 -0.553 1.698 -5.878 443 HA ASP 56 HA ASP 56 0.580 4.161 -6.302 444 HB2 ASP 56 HB2 ASP 56 0.770 2.285 -4.395 445 HB3 ASP 56 HB3 ASP 56 2.344 2.032 -5.107 446 H ILE 57 H ILE 57 1.643 1.051 -7.576 447 HA ILE 57 HA ILE 57 3.478 2.421 -9.491 448 HB ILE 57 HB ILE 57 4.245 -0.307 -8.507 449 HG12 ILE 57 HG12 ILE 57 4.817 2.212 -6.911 450 HG13 ILE 57 HG13 ILE 57 3.900 0.789 -6.392 451 HG21 ILE 57 HG21 ILE 57 5.885 2.138 -9.318 452 HG22 ILE 57 HG22 ILE 57 6.472 0.469 -9.146 453 HG23 ILE 57 HG23 ILE 57 5.362 0.876 -10.445 454 HD11 ILE 57 HD11 ILE 57 5.939 -0.595 -6.561 455 HD12 ILE 57 HD12 ILE 57 6.879 0.882 -6.921 456 HD13 ILE 57 HD13 ILE 57 6.038 0.718 -5.367 457 H VAL 58 H VAL 58 3.002 2.000 -11.497 458 HA VAL 58 HA VAL 58 1.469 -0.427 -12.301 459 HB VAL 58 HB VAL 58 0.692 1.367 -14.141 460 HG11 VAL 58 HG11 VAL 58 -0.482 0.950 -11.398 461 HG12 VAL 58 HG12 VAL 58 -1.336 1.709 -12.762 462 HG13 VAL 58 HG13 VAL 58 -0.812 0.033 -12.901 463 HG21 VAL 58 HG21 VAL 58 2.011 3.217 -12.865 464 HG22 VAL 58 HG22 VAL 58 0.317 3.545 -13.238 465 HG23 VAL 58 HG23 VAL 58 0.845 3.071 -11.584 466 H VAL 59 H VAL 59 3.108 -1.651 -12.897 467 HA VAL 59 HA VAL 59 5.139 -0.843 -14.877 468 HB VAL 59 HB VAL 59 4.442 -3.518 -13.606 469 HG11 VAL 59 HG11 VAL 59 6.824 -2.709 -15.333 470 HG12 VAL 59 HG12 VAL 59 6.688 -4.240 -14.446 471 HG13 VAL 59 HG13 VAL 59 5.564 -3.897 -15.765 472 HG21 VAL 59 HG21 VAL 59 5.389 -1.892 -11.976 473 HG22 VAL 59 HG22 VAL 59 6.483 -3.237 -12.300 474 HG23 VAL 59 HG23 VAL 59 6.797 -1.663 -13.044 475 H ILE 60 H ILE 60 4.232 -0.412 -16.848 476 HA ILE 60 HA ILE 60 2.209 -2.207 -18.030 477 HB ILE 60 HB ILE 60 3.699 0.004 -19.411 478 HG12 ILE 60 HG12 ILE 60 2.712 1.036 -17.329 479 HG13 ILE 60 HG13 ILE 60 2.192 1.717 -18.848 480 HG21 ILE 60 HG21 ILE 60 1.549 0.145 -20.718 481 HG22 ILE 60 HG22 ILE 60 2.446 -1.372 -20.915 482 HG23 ILE 60 HG23 ILE 60 1.002 -1.321 -19.889 483 HD11 ILE 60 HD11 ILE 60 0.058 0.502 -18.660 484 HD12 ILE 60 HD12 ILE 60 0.608 -0.185 -17.102 485 HD13 ILE 60 HD13 ILE 60 0.381 1.573 -17.280 486 H VAL 61 H VAL 61 2.770 -3.723 -19.620 487 HA VAL 61 HA VAL 61 5.637 -4.094 -20.374 488 HB VAL 61 HB VAL 61 3.533 -6.225 -20.102 489 HG11 VAL 61 HG11 VAL 61 5.367 -6.819 -21.623 490 HG12 VAL 61 HG12 VAL 61 6.565 -6.365 -20.383 491 HG13 VAL 61 HG13 VAL 61 5.487 -7.751 -20.130 492 HG21 VAL 61 HG21 VAL 61 4.706 -6.909 -18.034 493 HG22 VAL 61 HG22 VAL 61 5.720 -5.466 -18.112 494 HG23 VAL 61 HG23 VAL 61 3.962 -5.316 -17.849 495 H GLY 62 H GLY 62 6.003 -3.762 -22.492 496 HA2 GLY 62 HA2 GLY 62 4.115 -4.668 -24.564 497 HA3 GLY 62 HA3 GLY 62 4.412 -2.927 -24.477 498 HA PRO 63 HA PRO 63 7.709 -5.076 -27.076 499 HB2 PRO 63 HB2 PRO 63 7.259 -3.781 -29.439 500 HB3 PRO 63 HB3 PRO 63 6.427 -5.298 -28.959 501 HG2 PRO 63 HG2 PRO 63 5.374 -2.476 -28.863 502 HG3 PRO 63 HG3 PRO 63 4.516 -3.970 -29.323 503 HD2 PRO 63 HD2 PRO 63 4.292 -2.819 -26.824 504 HD3 PRO 63 HD3 PRO 63 4.149 -4.575 -27.110 505 H SER 64 H SER 64 6.782 -1.796 -27.977 506 HA SER 64 HA SER 64 8.852 -0.275 -26.697 507 HB2 SER 64 HB2 SER 64 10.159 -1.359 -28.581 508 HB3 SER 64 HB3 SER 64 9.059 -0.578 -29.726 509 HG SER 64 HG SER 64 10.996 0.625 -29.311 510 H GLY 65 H GLY 65 8.662 2.066 -27.558 511 HA2 GLY 65 HA2 GLY 65 5.834 2.825 -27.830 512 HA3 GLY 65 HA3 GLY 65 7.220 3.901 -27.622 513 H SER 66 H SER 66 6.942 1.446 -30.186 514 HA SER 66 HA SER 66 7.867 3.296 -32.173 515 HB2 SER 66 HB2 SER 66 7.565 1.296 -33.682 516 HB3 SER 66 HB3 SER 66 8.613 1.067 -32.270 517 HG SER 66 HG SER 66 7.373 -0.604 -32.003 518 H GLY 67 H GLY 67 4.621 2.109 -31.456 519 HA2 GLY 67 HA2 GLY 67 3.313 4.280 -32.545 520 HA3 GLY 67 HA3 GLY 67 3.398 3.183 -33.914 521 H LYS 68 H LYS 68 2.512 0.945 -33.534 522 HA LYS 68 HA LYS 68 -0.212 1.062 -32.876 523 HB2 LYS 68 HB2 LYS 68 -0.389 -1.128 -33.511 524 HB3 LYS 68 HB3 LYS 68 1.026 -0.604 -34.393 525 HG2 LYS 68 HG2 LYS 68 0.920 -2.277 -31.848 526 HG3 LYS 68 HG3 LYS 68 1.262 -2.870 -33.464 527 HD2 LYS 68 HD2 LYS 68 3.072 -0.947 -31.927 528 HD3 LYS 68 HD3 LYS 68 3.267 -2.697 -31.984 529 HE2 LYS 68 HE2 LYS 68 3.400 -2.587 -34.492 530 HE3 LYS 68 HE3 LYS 68 3.348 -0.830 -34.393 531 HZ1 LYS 68 HZ1 LYS 68 5.614 -1.627 -34.557 532 HZ2 LYS 68 HZ2 LYS 68 5.435 -0.925 -33.105 533 HZ3 LYS 68 HZ3 LYS 68 5.458 -2.556 -33.227 534 H SER 69 H SER 69 2.328 0.559 -30.676 535 HA SER 69 HA SER 69 1.015 -0.771 -28.485 536 HB2 SER 69 HB2 SER 69 3.126 0.145 -27.329 537 HB3 SER 69 HB3 SER 69 3.359 -0.937 -28.713 538 HG SER 69 HG SER 69 4.686 0.834 -28.879 539 H THR 70 H THR 70 0.039 2.039 -29.721 540 HA THR 70 HA THR 70 -0.094 4.075 -27.968 541 HB THR 70 HB THR 70 -2.773 3.079 -28.928 542 HG1 THR 70 HG1 THR 70 -2.234 3.875 -30.983 543 HG21 THR 70 HG21 THR 70 -2.534 5.277 -27.797 544 HG22 THR 70 HG22 THR 70 -1.405 5.788 -29.073 545 HG23 THR 70 HG23 THR 70 -3.108 5.423 -29.467 546 H LEU 71 H LEU 71 -2.015 1.091 -27.497 547 HA LEU 71 HA LEU 71 -3.626 1.955 -25.387 548 HB2 LEU 71 HB2 LEU 71 -2.608 -0.874 -25.505 549 HB3 LEU 71 HB3 LEU 71 -4.185 -0.235 -25.051 550 HG LEU 71 HG LEU 71 -4.682 -1.336 -26.932 551 HD11 LEU 71 HD11 LEU 71 -4.053 1.347 -28.224 552 HD12 LEU 71 HD12 LEU 71 -5.300 0.191 -28.664 553 HD13 LEU 71 HD13 LEU 71 -5.410 1.072 -27.116 554 HD21 LEU 71 HD21 LEU 71 -2.387 -1.923 -27.603 555 HD22 LEU 71 HD22 LEU 71 -3.437 -1.515 -28.961 556 HD23 LEU 71 HD23 LEU 71 -2.223 -0.349 -28.416 557 H ALA 72 H ALA 72 -0.309 0.781 -25.224 558 HA ALA 72 HA ALA 72 -0.082 0.540 -22.361 559 HB1 ALA 72 HB1 ALA 72 2.365 0.564 -22.838 560 HB2 ALA 72 HB2 ALA 72 1.534 -0.496 -23.974 561 HB3 ALA 72 HB3 ALA 72 2.059 1.117 -24.483 562 H LYS 73 H LYS 73 0.524 3.223 -24.659 563 HA LYS 73 HA LYS 73 1.213 5.245 -22.715 564 HB2 LYS 73 HB2 LYS 73 1.623 6.405 -24.577 565 HB3 LYS 73 HB3 LYS 73 0.909 5.137 -25.577 566 HG2 LYS 73 HG2 LYS 73 -1.323 6.132 -25.251 567 HG3 LYS 73 HG3 LYS 73 -0.614 7.432 -24.271 568 HD2 LYS 73 HD2 LYS 73 0.412 8.385 -26.210 569 HD3 LYS 73 HD3 LYS 73 -0.054 6.975 -27.224 570 HE2 LYS 73 HE2 LYS 73 -2.422 7.319 -26.651 571 HE3 LYS 73 HE3 LYS 73 -2.040 8.614 -25.571 572 HZ1 LYS 73 HZ1 LYS 73 -1.230 9.911 -27.517 573 HZ2 LYS 73 HZ2 LYS 73 -1.570 8.688 -28.524 574 HZ3 LYS 73 HZ3 LYS 73 -2.782 9.466 -27.755 575 H ILE 74 H ILE 74 -1.928 4.155 -24.056 576 HA ILE 74 HA ILE 74 -3.427 6.271 -23.005 577 HB ILE 74 HB ILE 74 -4.273 3.457 -23.745 578 HG12 ILE 74 HG12 ILE 74 -4.726 6.132 -25.153 579 HG13 ILE 74 HG13 ILE 74 -3.403 5.050 -25.517 580 HG21 ILE 74 HG21 ILE 74 -6.107 5.795 -23.055 581 HG22 ILE 74 HG22 ILE 74 -6.615 4.225 -23.712 582 HG23 ILE 74 HG23 ILE 74 -5.935 4.306 -22.102 583 HD11 ILE 74 HD11 ILE 74 -5.149 3.247 -26.101 584 HD12 ILE 74 HD12 ILE 74 -6.354 4.541 -25.962 585 HD13 ILE 74 HD13 ILE 74 -5.057 4.647 -27.169 586 H VAL 75 H VAL 75 -2.842 2.967 -21.599 587 HA VAL 75 HA VAL 75 -4.086 3.388 -19.079 588 HB VAL 75 HB VAL 75 -1.619 1.732 -19.772 589 HG11 VAL 75 HG11 VAL 75 -1.844 2.092 -17.272 590 HG12 VAL 75 HG12 VAL 75 -3.486 1.443 -17.350 591 HG13 VAL 75 HG13 VAL 75 -2.113 0.407 -17.755 592 HG21 VAL 75 HG21 VAL 75 -3.105 -0.200 -19.789 593 HG22 VAL 75 HG22 VAL 75 -4.508 0.871 -19.552 594 HG23 VAL 75 HG23 VAL 75 -3.510 0.953 -21.043 595 H LYS 76 H LYS 76 -0.656 3.923 -20.077 596 HA LYS 76 HA LYS 76 0.255 4.963 -17.619 597 HB2 LYS 76 HB2 LYS 76 1.799 4.317 -19.297 598 HB3 LYS 76 HB3 LYS 76 1.199 5.515 -20.452 599 HG2 LYS 76 HG2 LYS 76 2.347 7.253 -19.522 600 HG3 LYS 76 HG3 LYS 76 2.170 6.671 -17.879 601 HD2 LYS 76 HD2 LYS 76 4.535 6.698 -18.616 602 HD3 LYS 76 HD3 LYS 76 3.965 5.132 -18.070 603 HE2 LYS 76 HE2 LYS 76 5.315 4.681 -19.899 604 HE3 LYS 76 HE3 LYS 76 3.677 4.378 -20.407 605 HZ1 LYS 76 HZ1 LYS 76 5.288 6.777 -21.096 606 HZ2 LYS 76 HZ2 LYS 76 4.877 5.533 -22.072 607 HZ3 LYS 76 HZ3 LYS 76 3.728 6.569 -21.556 608 H LYS 77 H LYS 77 -1.489 6.694 -20.127 609 HA LYS 77 HA LYS 77 -1.249 9.301 -18.784 610 HB2 LYS 77 HB2 LYS 77 -3.043 8.314 -21.026 611 HB3 LYS 77 HB3 LYS 77 -3.106 9.953 -20.397 612 HG2 LYS 77 HG2 LYS 77 -0.668 8.683 -21.708 613 HG3 LYS 77 HG3 LYS 77 -1.785 9.830 -22.449 614 HD2 LYS 77 HD2 LYS 77 -1.117 11.503 -20.631 615 HD3 LYS 77 HD3 LYS 77 0.107 10.332 -20.123 616 HE2 LYS 77 HE2 LYS 77 1.259 11.829 -21.508 617 HE3 LYS 77 HE3 LYS 77 1.038 10.381 -22.471 618 HZ1 LYS 77 HZ1 LYS 77 0.515 12.385 -23.741 619 HZ2 LYS 77 HZ2 LYS 77 -0.856 11.512 -23.575 620 HZ3 LYS 77 HZ3 LYS 77 -0.609 12.849 -22.667 621 H ILE 78 H ILE 78 -3.790 6.765 -18.784 622 HA ILE 78 HA ILE 78 -5.581 8.276 -17.119 623 HB ILE 78 HB ILE 78 -5.316 5.282 -17.452 624 HG12 ILE 78 HG12 ILE 78 -6.476 7.376 -19.137 625 HG13 ILE 78 HG13 ILE 78 -6.049 5.707 -19.473 626 HG21 ILE 78 HG21 ILE 78 -6.436 5.750 -15.327 627 HG22 ILE 78 HG22 ILE 78 -7.508 6.936 -16.116 628 HG23 ILE 78 HG23 ILE 78 -7.633 5.201 -16.467 629 HD11 ILE 78 HD11 ILE 78 -8.668 6.675 -18.293 630 HD12 ILE 78 HD12 ILE 78 -8.400 6.073 -19.932 631 HD13 ILE 78 HD13 ILE 78 -8.246 4.965 -18.547 632 H ILE 79 H ILE 79 -2.835 6.135 -16.215 633 HA ILE 79 HA ILE 79 -3.495 6.595 -13.379 634 HB ILE 79 HB ILE 79 -1.181 5.001 -14.466 635 HG12 ILE 79 HG12 ILE 79 -3.245 4.022 -15.352 636 HG13 ILE 79 HG13 ILE 79 -2.567 3.007 -14.099 637 HG21 ILE 79 HG21 ILE 79 -2.494 5.392 -11.752 638 HG22 ILE 79 HG22 ILE 79 -1.662 3.881 -12.111 639 HG23 ILE 79 HG23 ILE 79 -0.769 5.408 -12.208 640 HD11 ILE 79 HD11 ILE 79 -4.912 4.944 -13.682 641 HD12 ILE 79 HD12 ILE 79 -5.032 3.215 -13.977 642 HD13 ILE 79 HD13 ILE 79 -4.273 3.796 -12.482 643 H ALA 80 H ALA 80 -1.185 7.911 -15.664 644 HA ALA 80 HA ALA 80 0.634 9.010 -13.915 645 HB1 ALA 80 HB1 ALA 80 -0.439 10.133 -16.532 646 HB2 ALA 80 HB2 ALA 80 0.967 10.789 -15.674 647 HB3 ALA 80 HB3 ALA 80 1.022 9.132 -16.282 648 H ARG 81 H ARG 81 -2.627 10.286 -14.758 649 HA ARG 81 HA ARG 81 -2.263 12.538 -12.889 650 HB2 ARG 81 HB2 ARG 81 -4.046 13.578 -13.787 651 HB3 ARG 81 HB3 ARG 81 -3.440 12.759 -15.206 652 HG2 ARG 81 HG2 ARG 81 -5.688 11.661 -13.459 653 HG3 ARG 81 HG3 ARG 81 -5.973 12.767 -14.801 654 HD2 ARG 81 HD2 ARG 81 -5.312 11.147 -16.419 655 HD3 ARG 81 HD3 ARG 81 -4.511 10.163 -15.199 656 HE ARG 81 HE ARG 81 -6.444 9.113 -14.705 657 HH11 ARG 81 HH11 ARG 81 -7.451 11.999 -16.429 658 HH12 ARG 81 HH12 ARG 81 -9.135 11.533 -16.381 659 HH21 ARG 81 HH21 ARG 81 -8.586 8.655 -14.558 660 HH22 ARG 81 HH22 ARG 81 -9.749 9.648 -15.383 661 H ALA 82 H ALA 82 -3.678 9.344 -12.848 662 HA ALA 82 HA ALA 82 -5.591 9.662 -10.761 663 HB1 ALA 82 HB1 ALA 82 -3.764 7.300 -11.331 664 HB2 ALA 82 HB2 ALA 82 -5.248 7.259 -10.386 665 HB3 ALA 82 HB3 ALA 82 -5.338 7.603 -12.133 666 H GLY 83 H GLY 83 -2.147 9.644 -10.651 667 HA2 GLY 83 HA2 GLY 83 -1.241 10.966 -8.740 668 HA3 GLY 83 HA3 GLY 83 -2.251 9.999 -7.663 669 H ALA 84 H ALA 84 -0.615 8.310 -10.213 670 HA ALA 84 HA ALA 84 1.386 7.135 -8.303 671 HB1 ALA 84 HB1 ALA 84 -0.440 5.635 -8.347 672 HB2 ALA 84 HB2 ALA 84 -0.701 5.875 -10.093 673 HB3 ALA 84 HB3 ALA 84 0.725 4.987 -9.534 674 H LYS 85 H LYS 85 2.874 5.604 -9.550 675 HA LYS 85 HA LYS 85 3.887 7.071 -11.948 676 HB2 LYS 85 HB2 LYS 85 6.092 6.517 -11.290 677 HB3 LYS 85 HB3 LYS 85 5.260 7.304 -9.942 678 HG2 LYS 85 HG2 LYS 85 4.788 5.007 -8.987 679 HG3 LYS 85 HG3 LYS 85 5.704 4.318 -10.286 680 HD2 LYS 85 HD2 LYS 85 6.540 5.959 -7.873 681 HD3 LYS 85 HD3 LYS 85 7.293 4.476 -8.466 682 HE2 LYS 85 HE2 LYS 85 8.429 5.783 -10.244 683 HE3 LYS 85 HE3 LYS 85 7.550 7.229 -9.767 684 HZ1 LYS 85 HZ1 LYS 85 8.681 7.069 -7.561 685 HZ2 LYS 85 HZ2 LYS 85 9.642 5.886 -8.184 686 HZ3 LYS 85 HZ3 LYS 85 9.666 7.378 -8.796 687 H THR 86 H THR 86 3.878 6.210 -13.698 688 HA THR 86 HA THR 86 3.593 3.284 -14.121 689 HB THR 86 HB THR 86 2.862 5.302 -16.227 690 HG1 THR 86 HG1 THR 86 1.097 6.070 -15.286 691 HG21 THR 86 HG21 THR 86 0.598 3.813 -15.897 692 HG22 THR 86 HG22 THR 86 1.947 3.456 -17.013 693 HG23 THR 86 HG23 THR 86 1.847 2.663 -15.431 694 H ILE 87 H ILE 87 4.746 2.154 -15.473 695 HA ILE 87 HA ILE 87 6.800 3.532 -17.159 696 HB ILE 87 HB ILE 87 8.446 1.770 -16.398 697 HG12 ILE 87 HG12 ILE 87 6.861 0.241 -15.365 698 HG13 ILE 87 HG13 ILE 87 8.324 0.601 -14.442 699 HG21 ILE 87 HG21 ILE 87 7.592 3.900 -14.432 700 HG22 ILE 87 HG22 ILE 87 9.142 3.020 -14.416 701 HG23 ILE 87 HG23 ILE 87 8.719 4.069 -15.784 702 HD11 ILE 87 HD11 ILE 87 6.549 2.347 -13.289 703 HD12 ILE 87 HD12 ILE 87 5.483 1.054 -13.830 704 HD13 ILE 87 HD13 ILE 87 6.832 0.655 -12.746 705 H GLU 88 H GLU 88 7.914 2.041 -18.614 706 HA GLU 88 HA GLU 88 6.067 -0.052 -19.715 707 HB2 GLU 88 HB2 GLU 88 7.423 2.217 -21.192 708 HB3 GLU 88 HB3 GLU 88 6.947 0.726 -21.998 709 HG2 GLU 88 HG2 GLU 88 4.607 1.057 -21.267 710 HG3 GLU 88 HG3 GLU 88 5.053 2.578 -20.518 711 H VAL 89 H VAL 89 7.282 -1.715 -18.803 712 HA VAL 89 HA VAL 89 10.171 -1.882 -19.296 713 HB VAL 89 HB VAL 89 10.245 -3.795 -17.918 714 HG11 VAL 89 HG11 VAL 89 8.407 -1.666 -16.722 715 HG12 VAL 89 HG12 VAL 89 9.393 -2.804 -15.807 716 HG13 VAL 89 HG13 VAL 89 10.182 -1.588 -16.835 717 HG21 VAL 89 HG21 VAL 89 8.223 -5.046 -18.382 718 HG22 VAL 89 HG22 VAL 89 8.255 -4.634 -16.675 719 HG23 VAL 89 HG23 VAL 89 7.213 -3.704 -17.778 720 H THR 90 H THR 90 10.404 -1.905 -21.422 721 HA THR 90 HA THR 90 8.949 -3.422 -23.301 722 HB THR 90 HB THR 90 10.977 -2.872 -24.799 723 HG1 THR 90 HG1 THR 90 12.503 -2.607 -23.176 724 HG21 THR 90 HG21 THR 90 9.545 -0.602 -23.352 725 HG22 THR 90 HG22 THR 90 10.360 -0.510 -24.931 726 HG23 THR 90 HG23 THR 90 8.927 -1.526 -24.745 727 H THR 91 H THR 91 9.828 -4.960 -24.854 728 HA THR 91 HA THR 91 11.143 -7.283 -23.639 729 HB THR 91 HB THR 91 11.016 -8.224 -25.957 730 HG1 THR 91 HG1 THR 91 9.907 -7.040 -27.482 731 HG21 THR 91 HG21 THR 91 8.383 -7.038 -24.979 732 HG22 THR 91 HG22 THR 91 8.590 -8.460 -26.018 733 HG23 THR 91 HG23 THR 91 9.135 -8.514 -24.333 734 H GLU 92 H GLU 92 12.219 -4.519 -25.472 735 HA GLU 92 HA GLU 92 14.868 -5.498 -26.174 736 HB2 GLU 92 HB2 GLU 92 13.701 -2.700 -25.873 737 HB3 GLU 92 HB3 GLU 92 15.316 -3.023 -26.483 738 HG2 GLU 92 HG2 GLU 92 12.697 -3.895 -27.762 739 HG3 GLU 92 HG3 GLU 92 13.742 -2.601 -28.306 740 H GLU 93 H GLU 93 16.888 -4.454 -25.295 741 HA GLU 93 HA GLU 93 17.254 -5.155 -22.592 742 HB2 GLU 93 HB2 GLU 93 18.990 -3.426 -24.396 743 HB3 GLU 93 HB3 GLU 93 19.501 -4.097 -22.844 744 HG2 GLU 93 HG2 GLU 93 19.081 -6.395 -23.703 745 HG3 GLU 93 HG3 GLU 93 18.662 -5.725 -25.276 746 H GLU 94 H GLU 94 16.051 -2.132 -23.751 747 HA GLU 94 HA GLU 94 16.725 -0.425 -21.550 748 HB2 GLU 94 HB2 GLU 94 15.883 0.262 -23.792 749 HB3 GLU 94 HB3 GLU 94 14.280 -0.338 -23.366 750 HG2 GLU 94 HG2 GLU 94 14.045 1.341 -21.632 751 HG3 GLU 94 HG3 GLU 94 15.752 1.768 -21.737 752 H LEU 95 H LEU 95 14.743 -3.208 -21.570 753 HA LEU 95 HA LEU 95 12.784 -2.943 -19.674 754 HB2 LEU 95 HB2 LEU 95 13.503 -4.971 -20.897 755 HB3 LEU 95 HB3 LEU 95 14.902 -5.135 -19.859 756 HG LEU 95 HG LEU 95 12.035 -5.211 -18.811 757 HD11 LEU 95 HD11 LEU 95 13.805 -7.554 -19.645 758 HD12 LEU 95 HD12 LEU 95 12.193 -7.660 -18.899 759 HD13 LEU 95 HD13 LEU 95 12.373 -6.979 -20.519 760 HD21 LEU 95 HD21 LEU 95 13.683 -4.963 -16.986 761 HD22 LEU 95 HD22 LEU 95 13.076 -6.610 -16.991 762 HD23 LEU 95 HD23 LEU 95 14.677 -6.269 -17.672 763 H ARG 96 H ARG 96 16.291 -3.323 -18.880 764 HA ARG 96 HA ARG 96 15.927 -3.291 -16.032 765 HB2 ARG 96 HB2 ARG 96 18.356 -2.550 -17.721 766 HB3 ARG 96 HB3 ARG 96 18.365 -2.698 -15.961 767 HG2 ARG 96 HG2 ARG 96 17.613 -5.070 -16.166 768 HG3 ARG 96 HG3 ARG 96 17.713 -4.931 -17.931 769 HD2 ARG 96 HD2 ARG 96 20.121 -4.386 -17.754 770 HD3 ARG 96 HD3 ARG 96 20.020 -4.512 -15.988 771 HE ARG 96 HE ARG 96 19.061 -6.934 -17.199 772 HH11 ARG 96 HH11 ARG 96 22.107 -5.309 -16.576 773 HH12 ARG 96 HH12 ARG 96 23.006 -6.810 -16.555 774 HH21 ARG 96 HH21 ARG 96 20.265 -8.804 -17.158 775 HH22 ARG 96 HH22 ARG 96 21.986 -8.727 -16.872 776 H LYS 97 H LYS 97 16.631 -0.611 -18.257 777 HA LYS 97 HA LYS 97 16.776 1.484 -16.283 778 HB2 LYS 97 HB2 LYS 97 17.615 1.606 -18.644 779 HB3 LYS 97 HB3 LYS 97 15.943 1.664 -19.212 780 HG2 LYS 97 HG2 LYS 97 15.615 3.758 -17.833 781 HG3 LYS 97 HG3 LYS 97 17.338 3.716 -17.439 782 HD2 LYS 97 HD2 LYS 97 16.137 3.942 -20.233 783 HD3 LYS 97 HD3 LYS 97 16.781 5.283 -19.279 784 HE2 LYS 97 HE2 LYS 97 19.024 4.225 -19.290 785 HE3 LYS 97 HE3 LYS 97 18.395 2.885 -20.246 786 HZ1 LYS 97 HZ1 LYS 97 19.462 4.548 -21.652 787 HZ2 LYS 97 HZ2 LYS 97 17.876 4.465 -22.020 788 HZ3 LYS 97 HZ3 LYS 97 18.445 5.713 -21.139 789 H ALA 98 H ALA 98 14.056 0.336 -18.315 790 HA ALA 98 HA ALA 98 12.082 2.108 -17.333 791 HB1 ALA 98 HB1 ALA 98 11.819 0.738 -19.364 792 HB2 ALA 98 HB2 ALA 98 11.829 -0.740 -18.355 793 HB3 ALA 98 HB3 ALA 98 10.501 0.417 -18.199 794 H VAL 99 H VAL 99 12.936 -1.201 -16.174 795 HA VAL 99 HA VAL 99 10.965 -1.325 -14.146 796 HB VAL 99 HB VAL 99 13.704 -2.643 -14.406 797 HG11 VAL 99 HG11 VAL 99 11.605 -3.298 -12.300 798 HG12 VAL 99 HG12 VAL 99 13.073 -4.233 -12.641 799 HG13 VAL 99 HG13 VAL 99 13.220 -2.608 -11.982 800 HG21 VAL 99 HG21 VAL 99 11.863 -3.374 -15.979 801 HG22 VAL 99 HG22 VAL 99 12.460 -4.660 -14.922 802 HG23 VAL 99 HG23 VAL 99 10.916 -3.868 -14.558 803 H ALA 100 H ALA 100 14.379 -0.289 -14.046 804 HA ALA 100 HA ALA 100 14.505 0.375 -11.313 805 HB1 ALA 100 HB1 ALA 100 16.088 1.549 -13.639 806 HB2 ALA 100 HB2 ALA 100 16.522 1.654 -11.917 807 HB3 ALA 100 HB3 ALA 100 16.485 0.078 -12.720 808 H LYS 101 H LYS 101 13.500 2.422 -14.047 809 HA LYS 101 HA LYS 101 13.343 4.912 -12.904 810 HB2 LYS 101 HB2 LYS 101 12.979 4.149 -15.322 811 HB3 LYS 101 HB3 LYS 101 11.336 3.727 -14.876 812 HG2 LYS 101 HG2 LYS 101 11.385 5.854 -16.006 813 HG3 LYS 101 HG3 LYS 101 10.893 6.129 -14.335 814 HD2 LYS 101 HD2 LYS 101 13.136 6.921 -13.749 815 HD3 LYS 101 HD3 LYS 101 13.755 6.440 -15.334 816 HE2 LYS 101 HE2 LYS 101 12.242 8.092 -16.423 817 HE3 LYS 101 HE3 LYS 101 11.631 8.577 -14.844 818 HZ1 LYS 101 HZ1 LYS 101 13.888 9.290 -14.270 819 HZ2 LYS 101 HZ2 LYS 101 14.448 8.864 -15.743 820 HZ3 LYS 101 HZ3 LYS 101 13.378 10.082 -15.600 821 H ALA 102 H ALA 102 11.087 2.290 -12.268 822 HA ALA 102 HA ALA 102 9.788 4.058 -10.219 823 HB1 ALA 102 HB1 ALA 102 8.335 3.987 -12.152 824 HB2 ALA 102 HB2 ALA 102 8.498 2.207 -12.195 825 HB3 ALA 102 HB3 ALA 102 7.627 2.994 -10.853 826 H ARG 103 H ARG 103 9.886 0.578 -11.256 827 HA ARG 103 HA ARG 103 9.073 -0.415 -8.677 828 HB2 ARG 103 HB2 ARG 103 8.799 -1.570 -10.824 829 HB3 ARG 103 HB3 ARG 103 10.538 -1.866 -10.899 830 HG2 ARG 103 HG2 ARG 103 10.494 -3.333 -9.034 831 HG3 ARG 103 HG3 ARG 103 8.905 -2.736 -8.482 832 HD2 ARG 103 HD2 ARG 103 7.813 -3.664 -10.400 833 HD3 ARG 103 HD3 ARG 103 9.333 -4.231 -11.098 834 HE ARG 103 HE ARG 103 7.782 -5.414 -8.881 835 HH11 ARG 103 HH11 ARG 103 10.889 -5.530 -10.511 836 HH12 ARG 103 HH12 ARG 103 11.247 -7.124 -9.894 837 HH21 ARG 103 HH21 ARG 103 8.296 -7.442 -8.144 838 HH22 ARG 103 HH22 ARG 103 9.801 -8.183 -8.627 839 H GLY 104 H GLY 104 12.134 0.615 -9.868 840 HA2 GLY 104 HA2 GLY 104 13.634 -0.414 -7.476 841 HA3 GLY 104 HA3 GLY 104 14.325 0.541 -8.800 842 H SER 105 H SER 105 12.922 2.737 -9.073 843 HA SER 105 HA SER 105 14.115 4.357 -7.167 844 HB2 SER 105 HB2 SER 105 12.981 6.204 -8.164 845 HB3 SER 105 HB3 SER 105 13.372 5.026 -9.455 846 HG SER 105 HG SER 105 11.367 5.533 -9.839 847 H TRP 106 H TRP 106 10.684 3.483 -7.329 848 HA TRP 106 HA TRP 106 9.587 4.929 -5.283 849 HB2 TRP 106 HB2 TRP 106 8.459 3.269 -6.807 850 HB3 TRP 106 HB3 TRP 106 8.951 1.996 -5.712 851 HD1 TRP 106 HD1 TRP 106 6.236 4.419 -6.303 852 HE1 TRP 106 HE1 TRP 106 4.581 4.541 -4.378 853 HE3 TRP 106 HE3 TRP 106 8.752 1.537 -2.917 854 HZ2 TRP 106 HZ2 TRP 106 4.577 3.867 -1.531 855 HZ3 TRP 106 HZ3 TRP 106 7.958 1.331 -0.606 856 HH2 TRP 106 HH2 TRP 106 5.880 2.526 0.132 857 H SER 107 H SER 107 11.233 1.769 -4.752 858 HA SER 107 HA SER 107 10.994 1.974 -1.841 859 HB2 SER 107 HB2 SER 107 12.452 -0.032 -3.588 860 HB3 SER 107 HB3 SER 107 12.210 -0.166 -1.834 861 HG SER 107 HG SER 107 10.624 -1.311 -3.047 862 H LEU 108 H LEU 108 13.068 3.386 -4.054 863 HA LEU 108 HA LEU 108 15.298 3.701 -2.158 864 HB2 LEU 108 HB2 LEU 108 14.922 3.727 -5.116 865 HB3 LEU 108 HB3 LEU 108 15.866 5.084 -4.524 866 HG LEU 108 HG LEU 108 17.464 3.537 -3.480 867 HD11 LEU 108 HD11 LEU 108 17.337 1.099 -3.923 868 HD12 LEU 108 HD12 LEU 108 16.017 1.648 -2.877 869 HD13 LEU 108 HD13 LEU 108 15.704 1.307 -4.595 870 HD21 LEU 108 HD21 LEU 108 17.725 4.193 -5.845 871 HD22 LEU 108 HD22 LEU 108 18.341 2.552 -5.570 872 HD23 LEU 108 HD23 LEU 108 16.749 2.800 -6.348 873 H GLU 109 H GLU 109 12.444 5.330 -3.308 874 HA GLU 109 HA GLU 109 13.233 7.988 -2.274 875 HB2 GLU 109 HB2 GLU 109 10.534 7.065 -3.286 876 HB3 GLU 109 HB3 GLU 109 11.087 8.720 -3.045 877 HG2 GLU 109 HG2 GLU 109 12.923 7.817 -4.897 878 HG3 GLU 109 HG3 GLU 109 11.504 6.861 -5.313 879 H HIS 110 H HIS 110 10.776 5.487 -1.563 880 HA HIS 110 HA HIS 110 9.720 7.025 0.709 881 HB2 HIS 110 HB2 HIS 110 8.757 4.562 -0.787 882 HB3 HIS 110 HB3 HIS 110 7.903 5.280 0.579 883 HD2 HIS 110 HD2 HIS 110 8.297 5.679 -3.142 884 HE1 HIS 110 HE1 HIS 110 6.150 9.128 -1.861 885 HE2 HIS 110 HE2 HIS 110 6.901 7.787 -3.883 886 H HIS 111 H HIS 111 12.280 5.216 0.708 887 HA HIS 111 HA HIS 111 11.826 4.132 3.458 888 HB2 HIS 111 HB2 HIS 111 11.491 2.253 1.957 889 HB3 HIS 111 HB3 HIS 111 13.020 2.599 1.141 890 HD2 HIS 111 HD2 HIS 111 15.102 1.460 2.033 891 HE1 HIS 111 HE1 HIS 111 13.786 0.320 5.923 892 HE2 HIS 111 HE2 HIS 111 15.712 0.195 4.271 893 H HIS 112 H HIS 112 13.564 4.121 4.800 894 HA HIS 112 HA HIS 112 15.848 5.846 4.184 895 HB2 HIS 112 HB2 HIS 112 14.596 5.821 6.369 896 HB3 HIS 112 HB3 HIS 112 15.321 4.258 6.722 897 HD2 HIS 112 HD2 HIS 112 18.116 4.289 6.995 898 HE1 HIS 112 HE1 HIS 112 18.456 8.498 7.520 899 HE2 HIS 112 HE2 HIS 112 19.676 6.278 7.717 900 H HIS 113 H HIS 113 16.572 4.538 2.404 901 HA HIS 113 HA HIS 113 17.579 1.889 2.617 902 HB2 HIS 113 HB2 HIS 113 17.010 3.437 0.564 903 HB3 HIS 113 HB3 HIS 113 18.689 3.939 0.689 904 HD2 HIS 113 HD2 HIS 113 16.427 1.082 -0.410 905 HE1 HIS 113 HE1 HIS 113 20.386 -0.292 -1.153 906 HE2 HIS 113 HE2 HIS 113 17.920 -0.784 -1.509 907 H HIS 114 H HIS 114 19.927 1.326 2.139 908 HA HIS 114 HA HIS 114 21.854 2.790 3.867 909 HB2 HIS 114 HB2 HIS 114 20.565 1.124 5.229 910 HB3 HIS 114 HB3 HIS 114 21.222 -0.158 4.224 911 HD2 HIS 114 HD2 HIS 114 21.801 -0.243 7.258 912 HE1 HIS 114 HE1 HIS 114 25.695 1.284 6.448 913 HE2 HIS 114 HE2 HIS 114 24.250 0.087 8.163 914 H HIS 115 H HIS 115 22.815 3.382 1.945 915 HA HIS 115 HA HIS 115 24.632 1.420 0.671 916 HB2 HIS 115 HB2 HIS 115 22.613 1.368 -0.723 917 HB3 HIS 115 HB3 HIS 115 22.597 3.124 -0.832 918 HD2 HIS 115 HD2 HIS 115 24.015 4.220 -2.731 919 HE1 HIS 115 HE1 HIS 115 25.999 0.746 -4.193 920 HE2 HIS 115 HE2 HIS 115 25.572 3.215 -4.608 Start of MODEL 17 1 H1 MET 1 H1 MET 1 1.794 -1.342 0.246 2 H2 MET 1 H2 MET 1 2.940 -0.221 0.575 3 H3 MET 1 H3 MET 1 3.276 -1.462 -0.445 4 HA MET 1 HA MET 1 1.304 0.658 -0.952 5 HB2 MET 1 HB2 MET 1 2.760 1.643 -2.512 6 HB3 MET 1 HB3 MET 1 3.688 1.412 -1.044 7 HG2 MET 1 HG2 MET 1 3.864 -0.306 -3.566 8 HG3 MET 1 HG3 MET 1 4.986 0.946 -3.085 9 HE1 MET 1 HE1 MET 1 7.099 -0.555 -3.371 10 HE2 MET 1 HE2 MET 1 7.252 -2.194 -2.710 11 HE3 MET 1 HE3 MET 1 6.049 -1.856 -3.970 12 H ARG 2 H ARG 2 0.201 0.523 -3.040 13 HA ARG 2 HA ARG 2 -0.177 -2.269 -3.842 14 HB2 ARG 2 HB2 ARG 2 -2.070 -0.555 -3.626 15 HB3 ARG 2 HB3 ARG 2 -1.479 0.138 -5.123 16 HG2 ARG 2 HG2 ARG 2 -1.821 -1.994 -6.319 17 HG3 ARG 2 HG3 ARG 2 -2.131 -2.851 -4.802 18 HD2 ARG 2 HD2 ARG 2 -3.905 -0.733 -6.053 19 HD3 ARG 2 HD3 ARG 2 -4.151 -2.479 -6.153 20 HE ARG 2 HE ARG 2 -4.740 -0.724 -3.920 21 HH11 ARG 2 HH11 ARG 2 -4.678 -4.141 -4.860 22 HH12 ARG 2 HH12 ARG 2 -5.180 -4.639 -3.282 23 HH21 ARG 2 HH21 ARG 2 -5.495 -1.471 -1.994 24 HH22 ARG 2 HH22 ARG 2 -5.777 -3.178 -1.774 25 H VAL 3 H VAL 3 0.297 -3.253 -5.669 26 HA VAL 3 HA VAL 3 2.018 -1.873 -7.702 27 HB VAL 3 HB VAL 3 2.255 -4.686 -6.536 28 HG11 VAL 3 HG11 VAL 3 4.279 -4.919 -7.975 29 HG12 VAL 3 HG12 VAL 3 2.825 -4.793 -8.943 30 HG13 VAL 3 HG13 VAL 3 3.884 -3.374 -8.759 31 HG21 VAL 3 HG21 VAL 3 3.243 -2.972 -5.076 32 HG22 VAL 3 HG22 VAL 3 4.525 -3.895 -5.854 33 HG23 VAL 3 HG23 VAL 3 4.125 -2.275 -6.460 34 H ILE 4 H ILE 4 1.593 -2.273 -9.803 35 HA ILE 4 HA ILE 4 -0.442 -4.327 -10.574 36 HB ILE 4 HB ILE 4 -0.511 -1.381 -11.142 37 HG12 ILE 4 HG12 ILE 4 -2.247 -3.520 -9.883 38 HG13 ILE 4 HG13 ILE 4 -1.785 -1.962 -9.224 39 HG21 ILE 4 HG21 ILE 4 -1.962 -3.519 -12.719 40 HG22 ILE 4 HG22 ILE 4 -2.219 -1.761 -12.858 41 HG23 ILE 4 HG23 ILE 4 -0.664 -2.424 -13.318 42 HD11 ILE 4 HD11 ILE 4 -3.918 -2.586 -11.284 43 HD12 ILE 4 HD12 ILE 4 -4.118 -1.838 -9.679 44 HD13 ILE 4 HD13 ILE 4 -3.294 -0.950 -11.001 45 H VAL 5 H VAL 5 -0.131 -5.228 -12.517 46 HA VAL 5 HA VAL 5 2.073 -4.197 -14.206 47 HB VAL 5 HB VAL 5 1.644 -7.158 -13.787 48 HG11 VAL 5 HG11 VAL 5 3.801 -5.614 -15.297 49 HG12 VAL 5 HG12 VAL 5 3.706 -7.375 -15.108 50 HG13 VAL 5 HG13 VAL 5 2.473 -6.518 -16.050 51 HG21 VAL 5 HG21 VAL 5 3.863 -5.368 -12.726 52 HG22 VAL 5 HG22 VAL 5 2.683 -6.281 -11.769 53 HG23 VAL 5 HG23 VAL 5 3.894 -7.141 -12.726 54 H VAL 6 H VAL 6 1.206 -3.502 -16.007 55 HA VAL 6 HA VAL 6 -1.269 -4.865 -17.051 56 HB VAL 6 HB VAL 6 -0.336 -2.096 -17.802 57 HG11 VAL 6 HG11 VAL 6 -1.793 -3.094 -19.461 58 HG12 VAL 6 HG12 VAL 6 -2.927 -3.649 -18.205 59 HG13 VAL 6 HG13 VAL 6 -2.726 -1.915 -18.530 60 HG21 VAL 6 HG21 VAL 6 -0.907 -1.906 -15.476 61 HG22 VAL 6 HG22 VAL 6 -2.324 -1.341 -16.358 62 HG23 VAL 6 HG23 VAL 6 -2.329 -2.969 -15.657 63 H ILE 7 H ILE 7 -1.215 -5.709 -19.127 64 HA ILE 7 HA ILE 7 1.369 -5.450 -20.634 65 HB ILE 7 HB ILE 7 -0.254 -7.983 -20.284 66 HG12 ILE 7 HG12 ILE 7 2.054 -8.712 -19.163 67 HG13 ILE 7 HG13 ILE 7 2.209 -6.997 -18.814 68 HG21 ILE 7 HG21 ILE 7 2.374 -7.412 -21.718 69 HG22 ILE 7 HG22 ILE 7 1.784 -9.037 -21.340 70 HG23 ILE 7 HG23 ILE 7 0.847 -8.013 -22.415 71 HD11 ILE 7 HD11 ILE 7 -0.218 -8.681 -18.003 72 HD12 ILE 7 HD12 ILE 7 1.207 -8.440 -16.974 73 HD13 ILE 7 HD13 ILE 7 0.203 -7.054 -17.434 74 H VAL 8 H VAL 8 1.213 -4.952 -22.770 75 HA VAL 8 HA VAL 8 -1.379 -4.722 -24.085 76 HB VAL 8 HB VAL 8 1.412 -4.658 -25.311 77 HG11 VAL 8 HG11 VAL 8 -0.298 -5.166 -27.015 78 HG12 VAL 8 HG12 VAL 8 -1.320 -3.838 -26.409 79 HG13 VAL 8 HG13 VAL 8 0.235 -3.500 -27.197 80 HG21 VAL 8 HG21 VAL 8 1.113 -2.813 -23.726 81 HG22 VAL 8 HG22 VAL 8 1.009 -2.185 -25.377 82 HG23 VAL 8 HG23 VAL 8 -0.469 -2.429 -24.424 83 H GLY 9 H GLY 9 -2.532 -6.509 -24.489 84 HA2 GLY 9 HA2 GLY 9 -1.783 -8.546 -26.263 85 HA3 GLY 9 HA3 GLY 9 -1.498 -9.168 -24.634 86 HA PRO 10 HA PRO 10 -2.321 -11.117 -25.873 87 HB2 PRO 10 HB2 PRO 10 -3.904 -12.838 -27.283 88 HB3 PRO 10 HB3 PRO 10 -3.940 -12.728 -25.502 89 HG2 PRO 10 HG2 PRO 10 -5.787 -11.370 -27.487 90 HG3 PRO 10 HG3 PRO 10 -6.237 -12.348 -26.052 91 HD2 PRO 10 HD2 PRO 10 -6.111 -9.619 -25.957 92 HD3 PRO 10 HD3 PRO 10 -5.627 -10.628 -24.566 93 H SER 11 H SER 11 -3.805 -8.768 -27.771 94 HA SER 11 HA SER 11 -3.345 -9.606 -30.438 95 HB2 SER 11 HB2 SER 11 -3.578 -7.164 -30.915 96 HB3 SER 11 HB3 SER 11 -4.879 -7.839 -29.900 97 HG SER 11 HG SER 11 -4.122 -5.886 -29.052 98 H GLY 12 H GLY 12 -1.082 -8.285 -28.150 99 HA2 GLY 12 HA2 GLY 12 1.075 -8.049 -30.224 100 HA3 GLY 12 HA3 GLY 12 0.655 -6.669 -29.217 101 H ALA 13 H ALA 13 3.003 -6.955 -28.937 102 HA ALA 13 HA ALA 13 4.857 -7.281 -27.793 103 HB1 ALA 13 HB1 ALA 13 4.784 -7.599 -25.406 104 HB2 ALA 13 HB2 ALA 13 3.453 -6.537 -25.905 105 HB3 ALA 13 HB3 ALA 13 3.138 -8.237 -25.489 106 H GLY 14 H GLY 14 2.879 -10.238 -27.771 107 HA2 GLY 14 HA2 GLY 14 4.837 -11.947 -28.832 108 HA3 GLY 14 HA3 GLY 14 5.002 -12.051 -27.084 109 H LYS 15 H LYS 15 4.424 -14.304 -27.450 110 HA LYS 15 HA LYS 15 1.479 -14.830 -27.813 111 HB2 LYS 15 HB2 LYS 15 3.896 -16.556 -28.458 112 HB3 LYS 15 HB3 LYS 15 2.223 -17.112 -28.537 113 HG2 LYS 15 HG2 LYS 15 1.668 -15.446 -30.233 114 HG3 LYS 15 HG3 LYS 15 3.285 -14.747 -30.154 115 HD2 LYS 15 HD2 LYS 15 2.721 -17.617 -30.993 116 HD3 LYS 15 HD3 LYS 15 2.877 -16.256 -32.110 117 HE2 LYS 15 HE2 LYS 15 5.175 -15.819 -31.230 118 HE3 LYS 15 HE3 LYS 15 5.032 -17.241 -30.195 119 HZ1 LYS 15 HZ1 LYS 15 4.781 -18.595 -32.203 120 HZ2 LYS 15 HZ2 LYS 15 4.918 -17.276 -33.160 121 HZ3 LYS 15 HZ3 LYS 15 6.185 -17.771 -32.264 122 H THR 16 H THR 16 4.280 -16.247 -26.055 123 HA THR 16 HA THR 16 2.457 -17.168 -23.898 124 HB THR 16 HB THR 16 5.457 -17.556 -24.085 125 HG1 THR 16 HG1 THR 16 4.983 -19.451 -25.151 126 HG21 THR 16 HG21 THR 16 4.546 -18.242 -21.920 127 HG22 THR 16 HG22 THR 16 3.218 -19.122 -22.714 128 HG23 THR 16 HG23 THR 16 4.897 -19.690 -22.866 129 H THR 17 H THR 17 4.493 -14.467 -24.528 130 HA THR 17 HA THR 17 5.709 -13.954 -22.107 131 HB THR 17 HB THR 17 6.166 -12.752 -24.194 132 HG1 THR 17 HG1 THR 17 6.958 -11.884 -22.340 133 HG21 THR 17 HG21 THR 17 4.913 -10.879 -24.949 134 HG22 THR 17 HG22 THR 17 3.728 -12.194 -24.760 135 HG23 THR 17 HG23 THR 17 3.845 -10.902 -23.544 136 H LEU 18 H LEU 18 2.475 -12.552 -22.987 137 HA LEU 18 HA LEU 18 2.045 -11.282 -20.503 138 HB2 LEU 18 HB2 LEU 18 -0.276 -11.106 -21.233 139 HB3 LEU 18 HB3 LEU 18 0.817 -10.831 -22.574 140 HG LEU 18 HG LEU 18 0.374 -13.471 -23.010 141 HD11 LEU 18 HD11 LEU 18 -1.242 -13.701 -21.053 142 HD12 LEU 18 HD12 LEU 18 -2.287 -12.515 -21.853 143 HD13 LEU 18 HD13 LEU 18 -1.949 -14.068 -22.630 144 HD21 LEU 18 HD21 LEU 18 -0.021 -11.638 -24.601 145 HD22 LEU 18 HD22 LEU 18 -1.361 -12.801 -24.606 146 HD23 LEU 18 HD23 LEU 18 -1.538 -11.247 -23.749 147 H ASP 19 H ASP 19 1.845 -14.576 -21.291 148 HA ASP 19 HA ASP 19 -0.092 -15.391 -19.236 149 HB2 ASP 19 HB2 ASP 19 0.543 -16.422 -21.563 150 HB3 ASP 19 HB3 ASP 19 1.821 -17.239 -20.687 151 H GLU 20 H GLU 20 3.325 -16.204 -19.920 152 HA GLU 20 HA GLU 20 3.900 -17.174 -17.353 153 HB2 GLU 20 HB2 GLU 20 6.208 -17.178 -17.985 154 HB3 GLU 20 HB3 GLU 20 5.247 -17.593 -19.407 155 HG2 GLU 20 HG2 GLU 20 5.535 -15.331 -20.299 156 HG3 GLU 20 HG3 GLU 20 6.406 -14.830 -18.851 157 H LEU 21 H LEU 21 3.775 -13.928 -18.580 158 HA LEU 21 HA LEU 21 5.120 -12.583 -16.358 159 HB2 LEU 21 HB2 LEU 21 3.325 -11.775 -18.639 160 HB3 LEU 21 HB3 LEU 21 3.435 -10.696 -17.292 161 HG LEU 21 HG LEU 21 4.992 -10.438 -19.392 162 HD11 LEU 21 HD11 LEU 21 5.983 -10.090 -16.527 163 HD12 LEU 21 HD12 LEU 21 6.573 -9.189 -17.954 164 HD13 LEU 21 HD13 LEU 21 4.904 -8.984 -17.384 165 HD21 LEU 21 HD21 LEU 21 6.217 -12.603 -19.231 166 HD22 LEU 21 HD22 LEU 21 7.275 -11.195 -19.109 167 HD23 LEU 21 HD23 LEU 21 6.852 -12.115 -17.646 168 H ALA 22 H ALA 22 1.562 -12.921 -17.126 169 HA ALA 22 HA ALA 22 0.747 -11.848 -14.659 170 HB1 ALA 22 HB1 ALA 22 -0.673 -13.870 -16.448 171 HB2 ALA 22 HB2 ALA 22 -1.435 -12.862 -15.195 172 HB3 ALA 22 HB3 ALA 22 -0.713 -12.103 -16.625 173 H ARG 23 H ARG 23 1.455 -15.205 -15.497 174 HA ARG 23 HA ARG 23 0.811 -16.479 -13.027 175 HB2 ARG 23 HB2 ARG 23 2.789 -17.144 -15.248 176 HB3 ARG 23 HB3 ARG 23 2.482 -18.220 -13.883 177 HG2 ARG 23 HG2 ARG 23 0.272 -18.689 -14.548 178 HG3 ARG 23 HG3 ARG 23 0.147 -17.245 -15.541 179 HD2 ARG 23 HD2 ARG 23 0.202 -19.148 -16.973 180 HD3 ARG 23 HD3 ARG 23 1.673 -18.209 -17.225 181 HE ARG 23 HE ARG 23 2.265 -20.215 -15.323 182 HH11 ARG 23 HH11 ARG 23 1.377 -20.125 -18.744 183 HH12 ARG 23 HH12 ARG 23 2.259 -21.590 -19.086 184 HH21 ARG 23 HH21 ARG 23 3.353 -22.043 -15.845 185 HH22 ARG 23 HH22 ARG 23 3.348 -22.646 -17.483 186 H LYS 24 H LYS 24 4.145 -15.585 -14.129 187 HA LYS 24 HA LYS 24 5.314 -16.105 -11.576 188 HB2 LYS 24 HB2 LYS 24 6.302 -14.468 -13.942 189 HB3 LYS 24 HB3 LYS 24 7.254 -14.726 -12.477 190 HG2 LYS 24 HG2 LYS 24 7.129 -17.155 -12.746 191 HG3 LYS 24 HG3 LYS 24 6.156 -16.993 -14.204 192 HD2 LYS 24 HD2 LYS 24 8.978 -15.855 -13.922 193 HD3 LYS 24 HD3 LYS 24 8.635 -17.475 -14.528 194 HE2 LYS 24 HE2 LYS 24 7.178 -16.495 -16.301 195 HE3 LYS 24 HE3 LYS 24 7.624 -14.881 -15.774 196 HZ1 LYS 24 HZ1 LYS 24 9.610 -16.903 -16.667 197 HZ2 LYS 24 HZ2 LYS 24 8.969 -15.814 -17.671 198 HZ3 LYS 24 HZ3 LYS 24 9.893 -15.310 -16.415 199 H ALA 25 H ALA 25 4.265 -12.956 -12.935 200 HA ALA 25 HA ALA 25 4.990 -11.334 -10.692 201 HB1 ALA 25 HB1 ALA 25 4.328 -10.430 -12.906 202 HB2 ALA 25 HB2 ALA 25 2.658 -10.968 -12.615 203 HB3 ALA 25 HB3 ALA 25 3.399 -9.737 -11.569 204 H LYS 26 H LYS 26 1.585 -12.724 -11.280 205 HA LYS 26 HA LYS 26 0.895 -11.941 -8.666 206 HB2 LYS 26 HB2 LYS 26 -0.629 -12.615 -10.622 207 HB3 LYS 26 HB3 LYS 26 -0.359 -14.288 -10.116 208 HG2 LYS 26 HG2 LYS 26 -2.281 -13.807 -8.900 209 HG3 LYS 26 HG3 LYS 26 -1.071 -13.336 -7.721 210 HD2 LYS 26 HD2 LYS 26 -1.354 -10.938 -8.965 211 HD3 LYS 26 HD3 LYS 26 -2.940 -11.647 -9.342 212 HE2 LYS 26 HE2 LYS 26 -2.754 -12.345 -6.735 213 HE3 LYS 26 HE3 LYS 26 -1.624 -10.980 -6.732 214 HZ1 LYS 26 HZ1 LYS 26 -3.386 -9.559 -7.465 215 HZ2 LYS 26 HZ2 LYS 26 -4.462 -10.798 -7.603 216 HZ3 LYS 26 HZ3 LYS 26 -3.909 -10.338 -6.135 217 H GLU 27 H GLU 27 2.611 -14.939 -9.607 218 HA GLU 27 HA GLU 27 2.403 -16.275 -7.098 219 HB2 GLU 27 HB2 GLU 27 3.697 -16.781 -9.497 220 HB3 GLU 27 HB3 GLU 27 5.054 -16.437 -8.451 221 HG2 GLU 27 HG2 GLU 27 4.172 -18.079 -6.789 222 HG3 GLU 27 HG3 GLU 27 2.872 -18.485 -7.913 223 H GLU 28 H GLU 28 4.920 -14.002 -8.212 224 HA GLU 28 HA GLU 28 6.187 -13.938 -5.561 225 HB2 GLU 28 HB2 GLU 28 7.954 -12.779 -6.548 226 HB3 GLU 28 HB3 GLU 28 7.448 -14.015 -7.699 227 HG2 GLU 28 HG2 GLU 28 6.078 -12.106 -8.816 228 HG3 GLU 28 HG3 GLU 28 7.037 -11.018 -7.825 229 H VAL 29 H VAL 29 3.906 -11.964 -7.189 230 HA VAL 29 HA VAL 29 3.691 -10.116 -4.891 231 HB VAL 29 HB VAL 29 3.197 -8.225 -6.276 232 HG11 VAL 29 HG11 VAL 29 5.909 -9.331 -7.044 233 HG12 VAL 29 HG12 VAL 29 5.428 -7.629 -6.893 234 HG13 VAL 29 HG13 VAL 29 5.526 -8.640 -5.438 235 HG21 VAL 29 HG21 VAL 29 2.645 -9.526 -8.433 236 HG22 VAL 29 HG22 VAL 29 3.651 -8.061 -8.611 237 HG23 VAL 29 HG23 VAL 29 4.394 -9.679 -8.655 238 HA PRO 30 HA PRO 30 -0.313 -12.276 -5.693 239 HB2 PRO 30 HB2 PRO 30 -0.735 -12.979 -3.068 240 HB3 PRO 30 HB3 PRO 30 0.216 -13.969 -4.229 241 HG2 PRO 30 HG2 PRO 30 1.210 -11.982 -2.169 242 HG3 PRO 30 HG3 PRO 30 1.811 -13.643 -2.481 243 HD2 PRO 30 HD2 PRO 30 3.027 -11.439 -3.539 244 HD3 PRO 30 HD3 PRO 30 2.899 -12.945 -4.487 245 H ASP 31 H ASP 31 0.799 -9.551 -4.051 246 HA ASP 31 HA ASP 31 -1.821 -8.575 -3.056 247 HB2 ASP 31 HB2 ASP 31 0.512 -8.328 -1.941 248 HB3 ASP 31 HB3 ASP 31 0.855 -7.135 -3.180 249 H ALA 32 H ALA 32 0.234 -8.391 -5.832 250 HA ALA 32 HA ALA 32 -0.626 -5.792 -6.758 251 HB1 ALA 32 HB1 ALA 32 0.971 -7.983 -8.152 252 HB2 ALA 32 HB2 ALA 32 0.913 -6.282 -8.644 253 HB3 ALA 32 HB3 ALA 32 1.681 -6.739 -7.100 254 H GLU 33 H GLU 33 -1.477 -5.472 -9.044 255 HA GLU 33 HA GLU 33 -3.504 -7.593 -9.710 256 HB2 GLU 33 HB2 GLU 33 -3.883 -4.810 -10.693 257 HB3 GLU 33 HB3 GLU 33 -5.061 -6.019 -10.308 258 HG2 GLU 33 HG2 GLU 33 -3.449 -4.385 -8.278 259 HG3 GLU 33 HG3 GLU 33 -5.061 -4.018 -8.849 260 H ILE 34 H ILE 34 -2.797 -8.788 -11.364 261 HA ILE 34 HA ILE 34 -1.321 -7.455 -13.529 262 HB ILE 34 HB ILE 34 -1.573 -10.439 -13.298 263 HG12 ILE 34 HG12 ILE 34 -1.027 -9.911 -11.024 264 HG13 ILE 34 HG13 ILE 34 0.307 -10.636 -11.838 265 HG21 ILE 34 HG21 ILE 34 -0.408 -9.972 -15.186 266 HG22 ILE 34 HG22 ILE 34 0.174 -8.413 -14.648 267 HG23 ILE 34 HG23 ILE 34 0.971 -9.870 -14.050 268 HD11 ILE 34 HD11 ILE 34 0.098 -7.633 -11.299 269 HD12 ILE 34 HD12 ILE 34 0.951 -8.823 -10.303 270 HD13 ILE 34 HD13 ILE 34 1.486 -8.499 -11.977 271 H ARG 35 H ARG 35 -2.246 -7.035 -15.410 272 HA ARG 35 HA ARG 35 -4.358 -8.787 -16.518 273 HB2 ARG 35 HB2 ARG 35 -5.940 -6.915 -16.948 274 HB3 ARG 35 HB3 ARG 35 -5.813 -7.314 -15.264 275 HG2 ARG 35 HG2 ARG 35 -4.258 -4.996 -16.483 276 HG3 ARG 35 HG3 ARG 35 -5.912 -4.915 -15.861 277 HD2 ARG 35 HD2 ARG 35 -4.776 -6.123 -13.744 278 HD3 ARG 35 HD3 ARG 35 -3.365 -5.308 -14.355 279 HE ARG 35 HE ARG 35 -4.660 -3.143 -14.124 280 HH11 ARG 35 HH11 ARG 35 -6.348 -5.842 -12.528 281 HH12 ARG 35 HH12 ARG 35 -7.330 -4.651 -11.666 282 HH21 ARG 35 HH21 ARG 35 -6.107 -1.905 -13.039 283 HH22 ARG 35 HH22 ARG 35 -7.123 -2.700 -11.846 284 H THR 36 H THR 36 -5.142 -8.071 -18.698 285 HA THR 36 HA THR 36 -2.966 -6.712 -20.210 286 HB THR 36 HB THR 36 -3.132 -8.160 -22.048 287 HG1 THR 36 HG1 THR 36 -5.044 -8.826 -22.462 288 HG21 THR 36 HG21 THR 36 -1.989 -9.191 -19.986 289 HG22 THR 36 HG22 THR 36 -3.440 -10.184 -19.810 290 HG23 THR 36 HG23 THR 36 -2.492 -10.272 -21.314 291 H VAL 37 H VAL 37 -3.542 -5.849 -22.315 292 HA VAL 37 HA VAL 37 -6.351 -4.975 -22.718 293 HB VAL 37 HB VAL 37 -6.086 -2.894 -22.275 294 HG11 VAL 37 HG11 VAL 37 -4.340 -1.935 -21.018 295 HG12 VAL 37 HG12 VAL 37 -4.799 -3.534 -20.381 296 HG13 VAL 37 HG13 VAL 37 -3.278 -3.346 -21.312 297 HG21 VAL 37 HG21 VAL 37 -5.200 -2.325 -24.368 298 HG22 VAL 37 HG22 VAL 37 -4.252 -1.457 -23.144 299 HG23 VAL 37 HG23 VAL 37 -3.542 -2.866 -23.916 300 H THR 38 H THR 38 -6.918 -4.650 -24.733 301 HA THR 38 HA THR 38 -4.943 -5.408 -26.883 302 HB THR 38 HB THR 38 -6.323 -7.292 -26.390 303 HG1 THR 38 HG1 THR 38 -7.179 -7.582 -28.465 304 HG21 THR 38 HG21 THR 38 -8.717 -5.561 -27.104 305 HG22 THR 38 HG22 THR 38 -8.744 -7.322 -26.878 306 HG23 THR 38 HG23 THR 38 -8.350 -6.267 -25.515 307 H THR 39 H THR 39 -7.567 -3.275 -26.020 308 HA THR 39 HA THR 39 -6.828 -1.440 -28.228 309 HB THR 39 HB THR 39 -9.517 -1.018 -28.175 310 HG1 THR 39 HG1 THR 39 -9.600 -3.183 -26.896 311 HG21 THR 39 HG21 THR 39 -8.170 -3.131 -29.866 312 HG22 THR 39 HG22 THR 39 -9.669 -2.255 -30.254 313 HG23 THR 39 HG23 THR 39 -8.128 -1.374 -30.176 314 H LYS 40 H LYS 40 -8.009 0.676 -27.965 315 HA LYS 40 HA LYS 40 -7.029 1.961 -25.705 316 HB2 LYS 40 HB2 LYS 40 -8.395 3.896 -26.457 317 HB3 LYS 40 HB3 LYS 40 -7.497 3.105 -27.732 318 HG2 LYS 40 HG2 LYS 40 -9.441 3.515 -28.821 319 HG3 LYS 40 HG3 LYS 40 -9.721 1.869 -28.317 320 HD2 LYS 40 HD2 LYS 40 -11.729 3.182 -28.101 321 HD3 LYS 40 HD3 LYS 40 -11.225 2.688 -26.496 322 HE2 LYS 40 HE2 LYS 40 -10.249 4.930 -26.088 323 HE3 LYS 40 HE3 LYS 40 -10.608 5.410 -27.737 324 HZ1 LYS 40 HZ1 LYS 40 -12.984 5.157 -27.229 325 HZ2 LYS 40 HZ2 LYS 40 -12.652 4.712 -25.700 326 HZ3 LYS 40 HZ3 LYS 40 -12.297 6.222 -26.211 327 H GLU 41 H GLU 41 -10.082 0.384 -26.092 328 HA GLU 41 HA GLU 41 -11.402 1.589 -23.798 329 HB2 GLU 41 HB2 GLU 41 -13.133 -0.136 -24.206 330 HB3 GLU 41 HB3 GLU 41 -12.711 0.789 -25.654 331 HG2 GLU 41 HG2 GLU 41 -11.397 -1.014 -26.542 332 HG3 GLU 41 HG3 GLU 41 -11.599 -1.972 -25.079 333 H ASP 42 H ASP 42 -9.624 -1.394 -24.391 334 HA ASP 42 HA ASP 42 -10.007 -2.546 -21.798 335 HB2 ASP 42 HB2 ASP 42 -7.712 -2.878 -23.782 336 HB3 ASP 42 HB3 ASP 42 -8.068 -3.905 -22.409 337 H ALA 43 H ALA 43 -7.470 -0.514 -23.248 338 HA ALA 43 HA ALA 43 -5.806 -0.300 -20.932 339 HB1 ALA 43 HB1 ALA 43 -6.288 1.536 -23.306 340 HB2 ALA 43 HB2 ALA 43 -5.128 1.919 -22.002 341 HB3 ALA 43 HB3 ALA 43 -4.902 0.464 -22.964 342 H LYS 44 H LYS 44 -8.609 1.612 -21.991 343 HA LYS 44 HA LYS 44 -8.613 3.389 -19.734 344 HB2 LYS 44 HB2 LYS 44 -9.852 3.954 -21.725 345 HB3 LYS 44 HB3 LYS 44 -10.968 2.596 -21.486 346 HG2 LYS 44 HG2 LYS 44 -11.941 3.523 -19.587 347 HG3 LYS 44 HG3 LYS 44 -10.516 4.478 -19.170 348 HD2 LYS 44 HD2 LYS 44 -10.963 5.919 -21.185 349 HD3 LYS 44 HD3 LYS 44 -12.564 5.153 -21.292 350 HE2 LYS 44 HE2 LYS 44 -11.370 6.576 -18.875 351 HE3 LYS 44 HE3 LYS 44 -12.542 7.297 -19.961 352 HZ1 LYS 44 HZ1 LYS 44 -13.085 4.925 -18.248 353 HZ2 LYS 44 HZ2 LYS 44 -13.660 6.424 -18.001 354 HZ3 LYS 44 HZ3 LYS 44 -14.142 5.564 -19.300 355 H ARG 45 H ARG 45 -10.356 0.281 -20.187 356 HA ARG 45 HA ARG 45 -11.641 0.452 -17.641 357 HB2 ARG 45 HB2 ARG 45 -12.624 -1.511 -17.986 358 HB3 ARG 45 HB3 ARG 45 -12.317 -0.995 -19.634 359 HG2 ARG 45 HG2 ARG 45 -10.282 -2.531 -19.622 360 HG3 ARG 45 HG3 ARG 45 -10.801 -3.127 -18.042 361 HD2 ARG 45 HD2 ARG 45 -12.464 -3.255 -20.588 362 HD3 ARG 45 HD3 ARG 45 -11.473 -4.564 -19.945 363 HE ARG 45 HE ARG 45 -13.656 -3.366 -18.289 364 HH11 ARG 45 HH11 ARG 45 -12.460 -6.234 -19.922 365 HH12 ARG 45 HH12 ARG 45 -13.587 -7.280 -19.084 366 HH21 ARG 45 HH21 ARG 45 -15.039 -4.751 -17.258 367 HH22 ARG 45 HH22 ARG 45 -15.000 -6.456 -17.626 368 H VAL 46 H VAL 46 -8.639 -1.342 -18.519 369 HA VAL 46 HA VAL 46 -8.207 -2.312 -15.853 370 HB VAL 46 HB VAL 46 -5.975 -2.783 -16.453 371 HG11 VAL 46 HG11 VAL 46 -6.350 -4.333 -18.315 372 HG12 VAL 46 HG12 VAL 46 -7.799 -4.277 -17.298 373 HG13 VAL 46 HG13 VAL 46 -7.760 -3.419 -18.852 374 HG21 VAL 46 HG21 VAL 46 -5.188 -0.891 -17.617 375 HG22 VAL 46 HG22 VAL 46 -4.967 -2.336 -18.602 376 HG23 VAL 46 HG23 VAL 46 -6.289 -1.203 -18.988 377 H ALA 47 H ALA 47 -7.137 0.707 -17.413 378 HA ALA 47 HA ALA 47 -5.555 1.462 -15.152 379 HB1 ALA 47 HB1 ALA 47 -6.713 3.265 -17.316 380 HB2 ALA 47 HB2 ALA 47 -5.246 3.522 -16.326 381 HB3 ALA 47 HB3 ALA 47 -5.304 2.239 -17.561 382 H GLU 48 H GLU 48 -8.812 2.597 -16.263 383 HA GLU 48 HA GLU 48 -9.252 4.233 -14.002 384 HB2 GLU 48 HB2 GLU 48 -11.470 4.343 -14.561 385 HB3 GLU 48 HB3 GLU 48 -10.635 4.126 -16.112 386 HG2 GLU 48 HG2 GLU 48 -11.244 1.770 -16.142 387 HG3 GLU 48 HG3 GLU 48 -11.948 1.850 -14.553 388 H GLU 49 H GLU 49 -9.348 0.753 -14.348 389 HA GLU 49 HA GLU 49 -10.699 0.109 -11.861 390 HB2 GLU 49 HB2 GLU 49 -10.006 -1.493 -13.933 391 HB3 GLU 49 HB3 GLU 49 -8.604 -1.764 -13.002 392 HG2 GLU 49 HG2 GLU 49 -11.382 -2.054 -11.794 393 HG3 GLU 49 HG3 GLU 49 -10.612 -3.349 -12.720 394 H ALA 50 H ALA 50 -7.271 0.312 -12.808 395 HA ALA 50 HA ALA 50 -6.121 -0.150 -10.246 396 HB1 ALA 50 HB1 ALA 50 -5.183 1.587 -12.538 397 HB2 ALA 50 HB2 ALA 50 -4.181 1.063 -11.179 398 HB3 ALA 50 HB3 ALA 50 -4.826 -0.157 -12.322 399 H GLU 51 H GLU 51 -7.612 2.842 -11.555 400 HA GLU 51 HA GLU 51 -6.547 4.370 -9.266 401 HB2 GLU 51 HB2 GLU 51 -7.359 6.268 -10.132 402 HB3 GLU 51 HB3 GLU 51 -7.018 5.325 -11.580 403 HG2 GLU 51 HG2 GLU 51 -9.165 5.421 -12.270 404 HG3 GLU 51 HG3 GLU 51 -9.833 5.089 -10.676 405 H ARG 52 H ARG 52 -9.174 2.338 -9.720 406 HA ARG 52 HA ARG 52 -10.937 3.452 -7.629 407 HB2 ARG 52 HB2 ARG 52 -10.927 0.514 -8.354 408 HB3 ARG 52 HB3 ARG 52 -12.257 1.488 -7.751 409 HG2 ARG 52 HG2 ARG 52 -11.002 1.551 -10.485 410 HG3 ARG 52 HG3 ARG 52 -12.614 0.905 -10.083 411 HD2 ARG 52 HD2 ARG 52 -13.169 3.330 -9.341 412 HD3 ARG 52 HD3 ARG 52 -11.661 3.774 -10.179 413 HE ARG 52 HE ARG 52 -13.082 2.369 -12.090 414 HH11 ARG 52 HH11 ARG 52 -13.684 5.266 -10.210 415 HH12 ARG 52 HH12 ARG 52 -14.707 5.978 -11.437 416 HH21 ARG 52 HH21 ARG 52 -14.375 3.411 -13.685 417 HH22 ARG 52 HH22 ARG 52 -15.100 4.938 -13.292 418 H ARG 53 H ARG 53 -8.259 1.302 -7.731 419 HA ARG 53 HA ARG 53 -8.325 0.792 -4.782 420 HB2 ARG 53 HB2 ARG 53 -7.225 -1.337 -5.311 421 HB3 ARG 53 HB3 ARG 53 -8.738 -1.178 -6.221 422 HG2 ARG 53 HG2 ARG 53 -6.866 -0.116 -7.998 423 HG3 ARG 53 HG3 ARG 53 -5.892 -1.279 -7.143 424 HD2 ARG 53 HD2 ARG 53 -8.547 -1.967 -8.472 425 HD3 ARG 53 HD3 ARG 53 -6.960 -2.288 -9.147 426 HE ARG 53 HE ARG 53 -6.489 -3.726 -7.129 427 HH11 ARG 53 HH11 ARG 53 -9.828 -3.527 -8.159 428 HH12 ARG 53 HH12 ARG 53 -10.301 -4.815 -7.092 429 HH21 ARG 53 HH21 ARG 53 -7.055 -5.416 -6.098 430 HH22 ARG 53 HH22 ARG 53 -8.727 -5.939 -5.975 431 H ASN 54 H ASN 54 -6.603 2.440 -7.050 432 HA ASN 54 HA ASN 54 -4.922 3.929 -6.778 433 HB2 ASN 54 HB2 ASN 54 -5.508 3.183 -3.956 434 HB3 ASN 54 HB3 ASN 54 -4.123 4.229 -4.296 435 HD21 ASN 54 HD21 ASN 54 -7.986 5.460 -5.051 436 HD22 ASN 54 HD22 ASN 54 -7.632 3.819 -4.549 437 H ALA 55 H ALA 55 -3.998 2.136 -8.068 438 HA ALA 55 HA ALA 55 -1.891 0.499 -7.115 439 HB1 ALA 55 HB1 ALA 55 -2.275 1.699 -9.863 440 HB2 ALA 55 HB2 ALA 55 -1.290 0.288 -9.409 441 HB3 ALA 55 HB3 ALA 55 -3.076 0.251 -9.205 442 H ASP 56 H ASP 56 -0.489 1.655 -5.725 443 HA ASP 56 HA ASP 56 0.692 4.123 -6.149 444 HB2 ASP 56 HB2 ASP 56 0.957 2.065 -4.275 445 HB3 ASP 56 HB3 ASP 56 2.576 2.232 -4.913 446 H ILE 57 H ILE 57 1.768 1.012 -7.468 447 HA ILE 57 HA ILE 57 3.539 2.490 -9.368 448 HB ILE 57 HB ILE 57 4.331 -0.283 -8.529 449 HG12 ILE 57 HG12 ILE 57 4.909 2.151 -6.812 450 HG13 ILE 57 HG13 ILE 57 4.037 0.698 -6.345 451 HG21 ILE 57 HG21 ILE 57 6.536 0.484 -9.190 452 HG22 ILE 57 HG22 ILE 57 5.404 1.016 -10.430 453 HG23 ILE 57 HG23 ILE 57 5.988 2.176 -9.226 454 HD11 ILE 57 HD11 ILE 57 7.001 0.860 -6.941 455 HD12 ILE 57 HD12 ILE 57 6.210 0.587 -5.377 456 HD13 ILE 57 HD13 ILE 57 6.102 -0.653 -6.640 457 H VAL 58 H VAL 58 3.105 2.091 -11.432 458 HA VAL 58 HA VAL 58 1.612 -0.367 -12.245 459 HB VAL 58 HB VAL 58 0.804 1.384 -14.110 460 HG11 VAL 58 HG11 VAL 58 -0.682 0.039 -12.844 461 HG12 VAL 58 HG12 VAL 58 -0.381 0.998 -11.359 462 HG13 VAL 58 HG13 VAL 58 -1.231 1.716 -12.753 463 HG21 VAL 58 HG21 VAL 58 2.068 3.269 -12.877 464 HG22 VAL 58 HG22 VAL 58 0.380 3.547 -13.275 465 HG23 VAL 58 HG23 VAL 58 0.872 3.128 -11.594 466 H VAL 59 H VAL 59 3.203 -1.580 -12.880 467 HA VAL 59 HA VAL 59 5.256 -0.743 -14.819 468 HB VAL 59 HB VAL 59 4.590 -3.491 -13.690 469 HG11 VAL 59 HG11 VAL 59 7.137 -2.416 -14.967 470 HG12 VAL 59 HG12 VAL 59 6.901 -4.062 -14.357 471 HG13 VAL 59 HG13 VAL 59 5.983 -3.514 -15.766 472 HG21 VAL 59 HG21 VAL 59 6.681 -1.504 -12.723 473 HG22 VAL 59 HG22 VAL 59 5.226 -1.990 -11.824 474 HG23 VAL 59 HG23 VAL 59 6.490 -3.176 -12.156 475 H ILE 60 H ILE 60 4.322 -0.273 -16.789 476 HA ILE 60 HA ILE 60 2.309 -2.057 -17.980 477 HB ILE 60 HB ILE 60 3.807 0.144 -19.352 478 HG12 ILE 60 HG12 ILE 60 2.812 1.162 -17.232 479 HG13 ILE 60 HG13 ILE 60 2.313 1.864 -18.742 480 HG21 ILE 60 HG21 ILE 60 2.545 -1.195 -20.856 481 HG22 ILE 60 HG22 ILE 60 1.112 -1.179 -19.814 482 HG23 ILE 60 HG23 ILE 60 1.634 0.303 -20.631 483 HD11 ILE 60 HD11 ILE 60 0.182 0.668 -18.631 484 HD12 ILE 60 HD12 ILE 60 0.688 -0.081 -17.078 485 HD13 ILE 60 HD13 ILE 60 0.467 1.679 -17.208 486 H VAL 61 H VAL 61 2.819 -3.533 -19.579 487 HA VAL 61 HA VAL 61 5.671 -3.954 -20.379 488 HB VAL 61 HB VAL 61 3.567 -6.093 -20.186 489 HG11 VAL 61 HG11 VAL 61 6.605 -6.193 -20.383 490 HG12 VAL 61 HG12 VAL 61 5.519 -7.592 -20.201 491 HG13 VAL 61 HG13 VAL 61 5.447 -6.609 -21.663 492 HG21 VAL 61 HG21 VAL 61 3.904 -5.258 -17.892 493 HG22 VAL 61 HG22 VAL 61 4.675 -6.838 -18.085 494 HG23 VAL 61 HG23 VAL 61 5.663 -5.368 -18.082 495 H GLY 62 H GLY 62 6.042 -3.792 -22.519 496 HA2 GLY 62 HA2 GLY 62 4.010 -4.565 -24.530 497 HA3 GLY 62 HA3 GLY 62 4.503 -2.872 -24.505 498 HA PRO 63 HA PRO 63 7.278 -5.557 -27.213 499 HB2 PRO 63 HB2 PRO 63 6.986 -4.122 -29.551 500 HB3 PRO 63 HB3 PRO 63 5.932 -5.483 -29.061 501 HG2 PRO 63 HG2 PRO 63 5.367 -2.520 -28.817 502 HG3 PRO 63 HG3 PRO 63 4.266 -3.841 -29.318 503 HD2 PRO 63 HD2 PRO 63 4.278 -2.794 -26.782 504 HD3 PRO 63 HD3 PRO 63 3.925 -4.518 -27.103 505 H SER 64 H SER 64 6.952 -2.124 -27.946 506 HA SER 64 HA SER 64 9.564 -1.274 -26.949 507 HB2 SER 64 HB2 SER 64 10.525 -0.732 -29.096 508 HB3 SER 64 HB3 SER 64 10.050 -2.435 -29.138 509 HG SER 64 HG SER 64 9.303 -1.518 -30.994 510 H GLY 65 H GLY 65 9.945 1.089 -27.781 511 HA2 GLY 65 HA2 GLY 65 7.514 2.719 -27.535 512 HA3 GLY 65 HA3 GLY 65 9.169 3.292 -27.699 513 H SER 66 H SER 66 8.510 1.013 -30.144 514 HA SER 66 HA SER 66 7.903 3.150 -32.161 515 HB2 SER 66 HB2 SER 66 10.063 1.018 -32.322 516 HB3 SER 66 HB3 SER 66 9.695 2.225 -33.556 517 HG SER 66 HG SER 66 11.433 2.867 -32.255 518 H GLY 67 H GLY 67 7.222 -0.161 -31.228 519 HA2 GLY 67 HA2 GLY 67 6.474 -1.329 -33.687 520 HA3 GLY 67 HA3 GLY 67 5.730 -1.686 -32.114 521 H LYS 68 H LYS 68 4.464 0.358 -31.372 522 HA LYS 68 HA LYS 68 2.843 1.996 -32.850 523 HB2 LYS 68 HB2 LYS 68 0.647 0.768 -32.920 524 HB3 LYS 68 HB3 LYS 68 1.835 0.323 -34.110 525 HG2 LYS 68 HG2 LYS 68 1.360 -1.787 -33.651 526 HG3 LYS 68 HG3 LYS 68 2.325 -1.614 -32.186 527 HD2 LYS 68 HD2 LYS 68 0.338 -1.118 -30.874 528 HD3 LYS 68 HD3 LYS 68 -0.681 -1.125 -32.318 529 HE2 LYS 68 HE2 LYS 68 0.929 -3.525 -31.340 530 HE3 LYS 68 HE3 LYS 68 -0.737 -3.224 -30.873 531 HZ1 LYS 68 HZ1 LYS 68 0.172 -3.669 -33.665 532 HZ2 LYS 68 HZ2 LYS 68 -0.654 -4.731 -32.754 533 HZ3 LYS 68 HZ3 LYS 68 -1.368 -3.353 -33.225 534 H SER 69 H SER 69 2.440 -0.461 -30.401 535 HA SER 69 HA SER 69 1.579 -0.487 -28.291 536 HB2 SER 69 HB2 SER 69 3.396 0.506 -26.807 537 HB3 SER 69 HB3 SER 69 3.876 -0.604 -28.086 538 HG SER 69 HG SER 69 5.243 1.115 -28.146 539 H THR 70 H THR 70 0.117 1.898 -29.599 540 HA THR 70 HA THR 70 -0.045 4.032 -27.887 541 HB THR 70 HB THR 70 -2.671 3.047 -28.932 542 HG1 THR 70 HG1 THR 70 -2.047 3.657 -31.028 543 HG21 THR 70 HG21 THR 70 -2.894 5.374 -29.623 544 HG22 THR 70 HG22 THR 70 -2.398 5.291 -27.923 545 HG23 THR 70 HG23 THR 70 -1.197 5.695 -29.170 546 H LEU 71 H LEU 71 -1.868 0.959 -27.502 547 HA LEU 71 HA LEU 71 -3.524 1.733 -25.401 548 HB2 LEU 71 HB2 LEU 71 -2.287 -1.019 -25.655 549 HB3 LEU 71 HB3 LEU 71 -3.863 -0.536 -25.021 550 HG LEU 71 HG LEU 71 -4.529 -1.490 -26.900 551 HD11 LEU 71 HD11 LEU 71 -5.261 0.912 -26.979 552 HD12 LEU 71 HD12 LEU 71 -3.981 1.225 -28.169 553 HD13 LEU 71 HD13 LEU 71 -5.246 0.070 -28.556 554 HD21 LEU 71 HD21 LEU 71 -2.317 -2.078 -27.780 555 HD22 LEU 71 HD22 LEU 71 -3.444 -1.575 -29.045 556 HD23 LEU 71 HD23 LEU 71 -2.168 -0.463 -28.522 557 H ALA 72 H ALA 72 -0.117 0.857 -25.226 558 HA ALA 72 HA ALA 72 0.059 0.620 -22.346 559 HB1 ALA 72 HB1 ALA 72 2.231 1.253 -24.405 560 HB2 ALA 72 HB2 ALA 72 2.496 0.715 -22.746 561 HB3 ALA 72 HB3 ALA 72 1.747 -0.375 -23.909 562 H LYS 73 H LYS 73 0.739 3.366 -24.623 563 HA LYS 73 HA LYS 73 1.214 5.199 -22.432 564 HB2 LYS 73 HB2 LYS 73 1.177 7.016 -23.971 565 HB3 LYS 73 HB3 LYS 73 2.220 5.730 -24.557 566 HG2 LYS 73 HG2 LYS 73 0.951 5.316 -26.397 567 HG3 LYS 73 HG3 LYS 73 -0.584 5.709 -25.588 568 HD2 LYS 73 HD2 LYS 73 1.314 7.932 -26.283 569 HD3 LYS 73 HD3 LYS 73 0.202 7.235 -27.471 570 HE2 LYS 73 HE2 LYS 73 -1.706 7.598 -25.906 571 HE3 LYS 73 HE3 LYS 73 -0.630 8.362 -24.755 572 HZ1 LYS 73 HZ1 LYS 73 -1.156 9.362 -27.513 573 HZ2 LYS 73 HZ2 LYS 73 -1.745 10.020 -26.149 574 HZ3 LYS 73 HZ3 LYS 73 -0.143 10.075 -26.456 575 H ILE 74 H ILE 74 -1.765 4.207 -24.085 576 HA ILE 74 HA ILE 74 -3.410 6.280 -23.010 577 HB ILE 74 HB ILE 74 -4.083 3.438 -23.838 578 HG12 ILE 74 HG12 ILE 74 -4.756 6.088 -25.206 579 HG13 ILE 74 HG13 ILE 74 -3.302 5.195 -25.576 580 HG21 ILE 74 HG21 ILE 74 -6.462 4.087 -23.809 581 HG22 ILE 74 HG22 ILE 74 -5.799 4.209 -22.193 582 HG23 ILE 74 HG23 ILE 74 -6.034 5.685 -23.148 583 HD11 ILE 74 HD11 ILE 74 -4.926 4.656 -27.258 584 HD12 ILE 74 HD12 ILE 74 -4.786 3.204 -26.262 585 HD13 ILE 74 HD13 ILE 74 -6.165 4.295 -26.053 586 H VAL 75 H VAL 75 -2.707 2.948 -21.673 587 HA VAL 75 HA VAL 75 -4.004 3.363 -19.176 588 HB VAL 75 HB VAL 75 -1.495 1.745 -19.818 589 HG11 VAL 75 HG11 VAL 75 -3.378 1.420 -17.417 590 HG12 VAL 75 HG12 VAL 75 -1.971 0.422 -17.803 591 HG13 VAL 75 HG13 VAL 75 -1.747 2.113 -17.332 592 HG21 VAL 75 HG21 VAL 75 -2.917 -0.219 -19.860 593 HG22 VAL 75 HG22 VAL 75 -4.359 0.806 -19.592 594 HG23 VAL 75 HG23 VAL 75 -3.385 0.941 -21.091 595 H LYS 76 H LYS 76 -0.563 3.994 -20.051 596 HA LYS 76 HA LYS 76 0.176 5.126 -17.550 597 HB2 LYS 76 HB2 LYS 76 1.817 4.425 -19.152 598 HB3 LYS 76 HB3 LYS 76 1.271 5.615 -20.341 599 HG2 LYS 76 HG2 LYS 76 2.322 7.375 -19.309 600 HG3 LYS 76 HG3 LYS 76 2.119 6.723 -17.693 601 HD2 LYS 76 HD2 LYS 76 4.499 6.837 -18.397 602 HD3 LYS 76 HD3 LYS 76 3.971 5.237 -17.910 603 HE2 LYS 76 HE2 LYS 76 5.340 4.905 -19.767 604 HE3 LYS 76 HE3 LYS 76 3.703 4.564 -20.265 605 HZ1 LYS 76 HZ1 LYS 76 4.821 5.822 -21.917 606 HZ2 LYS 76 HZ2 LYS 76 3.669 6.814 -21.313 607 HZ3 LYS 76 HZ3 LYS 76 5.244 7.022 -20.897 608 H LYS 77 H LYS 77 -1.511 6.695 -20.216 609 HA LYS 77 HA LYS 77 -1.346 9.354 -18.983 610 HB2 LYS 77 HB2 LYS 77 -2.951 8.205 -21.294 611 HB3 LYS 77 HB3 LYS 77 -3.291 9.814 -20.681 612 HG2 LYS 77 HG2 LYS 77 -0.531 8.967 -21.649 613 HG3 LYS 77 HG3 LYS 77 -1.754 9.724 -22.671 614 HD2 LYS 77 HD2 LYS 77 -1.783 11.708 -21.179 615 HD3 LYS 77 HD3 LYS 77 -0.499 10.976 -20.190 616 HE2 LYS 77 HE2 LYS 77 0.977 10.897 -22.181 617 HE3 LYS 77 HE3 LYS 77 -0.291 11.637 -23.163 618 HZ1 LYS 77 HZ1 LYS 77 1.308 13.283 -22.380 619 HZ2 LYS 77 HZ2 LYS 77 -0.160 13.601 -21.752 620 HZ3 LYS 77 HZ3 LYS 77 1.000 12.920 -20.820 621 H ILE 78 H ILE 78 -3.732 6.714 -18.813 622 HA ILE 78 HA ILE 78 -5.564 8.271 -17.182 623 HB ILE 78 HB ILE 78 -5.254 5.286 -17.445 624 HG12 ILE 78 HG12 ILE 78 -6.462 7.337 -19.135 625 HG13 ILE 78 HG13 ILE 78 -6.057 5.669 -19.455 626 HG21 ILE 78 HG21 ILE 78 -7.439 6.934 -16.084 627 HG22 ILE 78 HG22 ILE 78 -7.542 5.184 -16.386 628 HG23 ILE 78 HG23 ILE 78 -6.333 5.795 -15.288 629 HD11 ILE 78 HD11 ILE 78 -8.228 4.960 -18.419 630 HD12 ILE 78 HD12 ILE 78 -8.652 6.685 -18.260 631 HD13 ILE 78 HD13 ILE 78 -8.385 5.980 -19.868 632 H ILE 79 H ILE 79 -2.770 6.161 -16.273 633 HA ILE 79 HA ILE 79 -3.457 6.587 -13.452 634 HB ILE 79 HB ILE 79 -1.093 5.054 -14.547 635 HG12 ILE 79 HG12 ILE 79 -3.126 4.019 -15.434 636 HG13 ILE 79 HG13 ILE 79 -2.425 3.023 -14.187 637 HG21 ILE 79 HG21 ILE 79 -2.399 5.420 -11.822 638 HG22 ILE 79 HG22 ILE 79 -1.558 3.919 -12.177 639 HG23 ILE 79 HG23 ILE 79 -0.675 5.452 -12.295 640 HD11 ILE 79 HD11 ILE 79 -4.821 3.090 -13.989 641 HD12 ILE 79 HD12 ILE 79 -4.120 3.837 -12.540 642 HD13 ILE 79 HD13 ILE 79 -4.844 4.853 -13.808 643 H ALA 80 H ALA 80 -1.153 7.978 -15.726 644 HA ALA 80 HA ALA 80 0.592 9.146 -13.957 645 HB1 ALA 80 HB1 ALA 80 0.855 10.961 -15.686 646 HB2 ALA 80 HB2 ALA 80 0.970 9.313 -16.331 647 HB3 ALA 80 HB3 ALA 80 -0.523 10.271 -16.558 648 H ARG 81 H ARG 81 -2.701 10.297 -14.791 649 HA ARG 81 HA ARG 81 -2.440 12.528 -12.863 650 HB2 ARG 81 HB2 ARG 81 -4.305 13.519 -13.688 651 HB3 ARG 81 HB3 ARG 81 -3.619 12.828 -15.145 652 HG2 ARG 81 HG2 ARG 81 -5.798 11.410 -13.549 653 HG3 ARG 81 HG3 ARG 81 -6.186 12.688 -14.700 654 HD2 ARG 81 HD2 ARG 81 -4.583 10.229 -15.436 655 HD3 ARG 81 HD3 ARG 81 -6.341 10.238 -15.484 656 HE ARG 81 HE ARG 81 -4.534 11.264 -17.439 657 HH11 ARG 81 HH11 ARG 81 -7.754 11.898 -16.190 658 HH12 ARG 81 HH12 ARG 81 -8.259 12.700 -17.661 659 HH21 ARG 81 HH21 ARG 81 -5.228 12.354 -19.252 660 HH22 ARG 81 HH22 ARG 81 -6.871 12.929 -19.355 661 H ALA 82 H ALA 82 -3.733 9.288 -12.873 662 HA ALA 82 HA ALA 82 -5.608 9.497 -10.739 663 HB1 ALA 82 HB1 ALA 82 -3.698 7.209 -11.326 664 HB2 ALA 82 HB2 ALA 82 -5.217 7.115 -10.446 665 HB3 ALA 82 HB3 ALA 82 -5.244 7.487 -12.189 666 H GLY 83 H GLY 83 -2.151 9.624 -10.710 667 HA2 GLY 83 HA2 GLY 83 -1.249 10.989 -8.849 668 HA3 GLY 83 HA3 GLY 83 -2.204 10.018 -7.730 669 H ALA 84 H ALA 84 -0.509 8.317 -10.288 670 HA ALA 84 HA ALA 84 1.463 7.252 -8.299 671 HB1 ALA 84 HB1 ALA 84 0.968 5.065 -9.478 672 HB2 ALA 84 HB2 ALA 84 -0.355 5.725 -8.475 673 HB3 ALA 84 HB3 ALA 84 -0.397 5.883 -10.248 674 H LYS 85 H LYS 85 3.051 5.746 -9.488 675 HA LYS 85 HA LYS 85 4.176 7.201 -11.830 676 HB2 LYS 85 HB2 LYS 85 6.346 6.312 -11.176 677 HB3 LYS 85 HB3 LYS 85 5.597 7.263 -9.884 678 HG2 LYS 85 HG2 LYS 85 4.829 5.129 -8.803 679 HG3 LYS 85 HG3 LYS 85 5.566 4.212 -10.077 680 HD2 LYS 85 HD2 LYS 85 6.889 4.237 -8.033 681 HD3 LYS 85 HD3 LYS 85 7.819 4.901 -9.375 682 HE2 LYS 85 HE2 LYS 85 6.345 6.798 -7.528 683 HE3 LYS 85 HE3 LYS 85 7.834 6.034 -6.983 684 HZ1 LYS 85 HZ1 LYS 85 7.574 7.853 -9.296 685 HZ2 LYS 85 HZ2 LYS 85 8.482 8.032 -7.951 686 HZ3 LYS 85 HZ3 LYS 85 8.907 6.932 -9.040 687 H THR 86 H THR 86 4.260 6.309 -13.619 688 HA THR 86 HA THR 86 3.751 3.389 -13.999 689 HB THR 86 HB THR 86 2.949 5.453 -16.072 690 HG1 THR 86 HG1 THR 86 2.040 6.437 -14.356 691 HG21 THR 86 HG21 THR 86 0.779 3.974 -15.975 692 HG22 THR 86 HG22 THR 86 2.228 3.556 -16.925 693 HG23 THR 86 HG23 THR 86 1.918 2.776 -15.355 694 H ILE 87 H ILE 87 4.857 2.254 -15.428 695 HA ILE 87 HA ILE 87 6.908 3.660 -17.097 696 HB ILE 87 HB ILE 87 8.557 1.866 -16.391 697 HG12 ILE 87 HG12 ILE 87 6.948 0.337 -15.371 698 HG13 ILE 87 HG13 ILE 87 8.426 0.657 -14.448 699 HG21 ILE 87 HG21 ILE 87 7.730 3.975 -14.400 700 HG22 ILE 87 HG22 ILE 87 9.291 3.097 -14.419 701 HG23 ILE 87 HG23 ILE 87 8.835 4.146 -15.771 702 HD11 ILE 87 HD11 ILE 87 7.017 0.798 -12.700 703 HD12 ILE 87 HD12 ILE 87 6.608 2.439 -13.333 704 HD13 ILE 87 HD13 ILE 87 5.621 1.036 -13.753 705 H GLU 88 H GLU 88 7.999 2.205 -18.590 706 HA GLU 88 HA GLU 88 6.131 0.163 -19.720 707 HB2 GLU 88 HB2 GLU 88 7.370 2.539 -21.147 708 HB3 GLU 88 HB3 GLU 88 6.928 1.070 -22.016 709 HG2 GLU 88 HG2 GLU 88 4.599 1.280 -21.253 710 HG3 GLU 88 HG3 GLU 88 5.003 2.795 -20.440 711 H VAL 89 H VAL 89 7.361 -1.498 -18.978 712 HA VAL 89 HA VAL 89 10.210 -1.763 -19.700 713 HB VAL 89 HB VAL 89 10.316 -3.597 -18.336 714 HG11 VAL 89 HG11 VAL 89 9.048 -3.227 -16.262 715 HG12 VAL 89 HG12 VAL 89 9.681 -1.700 -16.885 716 HG13 VAL 89 HG13 VAL 89 7.960 -2.110 -17.083 717 HG21 VAL 89 HG21 VAL 89 8.390 -4.995 -17.602 718 HG22 VAL 89 HG22 VAL 89 7.327 -4.028 -18.656 719 HG23 VAL 89 HG23 VAL 89 8.621 -5.039 -19.346 720 H THR 90 H THR 90 10.996 -3.439 -21.184 721 HA THR 90 HA THR 90 8.917 -4.406 -23.114 722 HB THR 90 HB THR 90 10.562 -4.340 -24.893 723 HG1 THR 90 HG1 THR 90 12.443 -3.179 -24.606 724 HG21 THR 90 HG21 THR 90 9.088 -2.445 -24.724 725 HG22 THR 90 HG22 THR 90 10.140 -1.662 -23.521 726 HG23 THR 90 HG23 THR 90 10.704 -1.900 -25.194 727 H THR 91 H THR 91 9.664 -6.224 -24.483 728 HA THR 91 HA THR 91 10.024 -8.467 -22.725 729 HB THR 91 HB THR 91 9.911 -9.778 -24.869 730 HG1 THR 91 HG1 THR 91 9.452 -8.587 -26.728 731 HG21 THR 91 HG21 THR 91 7.600 -9.268 -25.353 732 HG22 THR 91 HG22 THR 91 7.857 -9.099 -23.614 733 HG23 THR 91 HG23 THR 91 7.748 -7.647 -24.638 734 H GLU 92 H GLU 92 12.451 -6.619 -24.393 735 HA GLU 92 HA GLU 92 14.391 -8.907 -24.146 736 HB2 GLU 92 HB2 GLU 92 13.823 -7.060 -26.471 737 HB3 GLU 92 HB3 GLU 92 15.346 -7.916 -26.339 738 HG2 GLU 92 HG2 GLU 92 12.664 -9.345 -26.352 739 HG3 GLU 92 HG3 GLU 92 13.612 -9.006 -27.789 740 H GLU 93 H GLU 93 14.288 -5.266 -24.158 741 HA GLU 93 HA GLU 93 17.115 -5.375 -23.115 742 HB2 GLU 93 HB2 GLU 93 16.109 -3.728 -25.464 743 HB3 GLU 93 HB3 GLU 93 17.658 -3.492 -24.658 744 HG2 GLU 93 HG2 GLU 93 18.243 -5.888 -25.195 745 HG3 GLU 93 HG3 GLU 93 16.796 -5.965 -26.196 746 H GLU 94 H GLU 94 14.326 -3.078 -23.551 747 HA GLU 94 HA GLU 94 15.551 -1.190 -21.679 748 HB2 GLU 94 HB2 GLU 94 12.741 -1.234 -22.837 749 HB3 GLU 94 HB3 GLU 94 13.464 0.082 -21.934 750 HG2 GLU 94 HG2 GLU 94 14.412 -0.925 -24.643 751 HG3 GLU 94 HG3 GLU 94 13.485 0.530 -24.344 752 H LEU 95 H LEU 95 14.020 -4.087 -21.186 753 HA LEU 95 HA LEU 95 12.240 -4.000 -19.143 754 HB2 LEU 95 HB2 LEU 95 13.063 -6.027 -20.224 755 HB3 LEU 95 HB3 LEU 95 14.640 -5.834 -19.478 756 HG LEU 95 HG LEU 95 13.713 -6.273 -17.251 757 HD11 LEU 95 HD11 LEU 95 11.045 -6.572 -18.691 758 HD12 LEU 95 HD12 LEU 95 11.364 -7.113 -17.024 759 HD13 LEU 95 HD13 LEU 95 11.448 -5.397 -17.414 760 HD21 LEU 95 HD21 LEU 95 12.829 -8.330 -19.310 761 HD22 LEU 95 HD22 LEU 95 14.474 -8.140 -18.673 762 HD23 LEU 95 HD23 LEU 95 13.160 -8.631 -17.588 763 H ARG 96 H ARG 96 15.752 -4.248 -18.377 764 HA ARG 96 HA ARG 96 15.370 -3.839 -15.566 765 HB2 ARG 96 HB2 ARG 96 17.895 -3.431 -17.240 766 HB3 ARG 96 HB3 ARG 96 17.832 -3.559 -15.483 767 HG2 ARG 96 HG2 ARG 96 17.133 -5.759 -17.480 768 HG3 ARG 96 HG3 ARG 96 18.587 -5.642 -16.486 769 HD2 ARG 96 HD2 ARG 96 17.204 -5.807 -14.439 770 HD3 ARG 96 HD3 ARG 96 15.751 -5.984 -15.441 771 HE ARG 96 HE ARG 96 17.641 -7.949 -16.245 772 HH11 ARG 96 HH11 ARG 96 15.586 -7.301 -13.480 773 HH12 ARG 96 HH12 ARG 96 15.439 -8.998 -13.079 774 HH21 ARG 96 HH21 ARG 96 17.419 -10.095 -15.672 775 HH22 ARG 96 HH22 ARG 96 16.446 -10.532 -14.291 776 H LYS 97 H LYS 97 16.165 -1.515 -18.099 777 HA LYS 97 HA LYS 97 16.658 0.742 -16.376 778 HB2 LYS 97 HB2 LYS 97 15.719 0.645 -19.281 779 HB3 LYS 97 HB3 LYS 97 16.286 2.087 -18.433 780 HG2 LYS 97 HG2 LYS 97 18.517 1.099 -18.134 781 HG3 LYS 97 HG3 LYS 97 17.983 -0.417 -18.844 782 HD2 LYS 97 HD2 LYS 97 19.227 0.785 -20.508 783 HD3 LYS 97 HD3 LYS 97 17.542 0.665 -20.993 784 HE2 LYS 97 HE2 LYS 97 18.295 2.842 -21.560 785 HE3 LYS 97 HE3 LYS 97 17.168 3.017 -20.231 786 HZ1 LYS 97 HZ1 LYS 97 20.136 3.053 -19.967 787 HZ2 LYS 97 HZ2 LYS 97 19.175 4.369 -19.920 788 HZ3 LYS 97 HZ3 LYS 97 19.088 3.253 -18.734 789 H ALA 98 H ALA 98 13.691 -0.157 -18.199 790 HA ALA 98 HA ALA 98 12.048 1.925 -17.178 791 HB1 ALA 98 HB1 ALA 98 10.211 0.422 -17.930 792 HB2 ALA 98 HB2 ALA 98 11.502 0.581 -19.159 793 HB3 ALA 98 HB3 ALA 98 11.402 -0.876 -18.126 794 H VAL 99 H VAL 99 12.479 -1.451 -16.011 795 HA VAL 99 HA VAL 99 10.624 -1.309 -13.883 796 HB VAL 99 HB VAL 99 13.190 -2.927 -14.195 797 HG11 VAL 99 HG11 VAL 99 12.442 -4.406 -12.391 798 HG12 VAL 99 HG12 VAL 99 12.761 -2.785 -11.780 799 HG13 VAL 99 HG13 VAL 99 11.083 -3.326 -12.033 800 HG21 VAL 99 HG21 VAL 99 10.255 -3.806 -14.257 801 HG22 VAL 99 HG22 VAL 99 11.247 -3.502 -15.699 802 HG23 VAL 99 HG23 VAL 99 11.675 -4.818 -14.602 803 H ALA 100 H ALA 100 14.121 -0.607 -13.956 804 HA ALA 100 HA ALA 100 14.411 0.098 -11.234 805 HB1 ALA 100 HB1 ALA 100 16.507 1.212 -11.928 806 HB2 ALA 100 HB2 ALA 100 16.324 -0.391 -12.654 807 HB3 ALA 100 HB3 ALA 100 16.020 1.063 -13.632 808 H LYS 101 H LYS 101 13.623 2.191 -14.007 809 HA LYS 101 HA LYS 101 13.617 4.721 -12.836 810 HB2 LYS 101 HB2 LYS 101 12.151 3.420 -15.148 811 HB3 LYS 101 HB3 LYS 101 11.758 5.077 -14.723 812 HG2 LYS 101 HG2 LYS 101 14.566 4.124 -15.410 813 HG3 LYS 101 HG3 LYS 101 13.430 4.854 -16.556 814 HD2 LYS 101 HD2 LYS 101 13.351 6.889 -15.059 815 HD3 LYS 101 HD3 LYS 101 14.639 6.138 -14.089 816 HE2 LYS 101 HE2 LYS 101 16.117 6.071 -16.060 817 HE3 LYS 101 HE3 LYS 101 14.841 6.752 -17.068 818 HZ1 LYS 101 HZ1 LYS 101 16.127 8.143 -14.785 819 HZ2 LYS 101 HZ2 LYS 101 16.384 8.473 -16.355 820 HZ3 LYS 101 HZ3 LYS 101 14.922 8.764 -15.697 821 H ALA 102 H ALA 102 11.192 2.290 -12.238 822 HA ALA 102 HA ALA 102 9.973 4.268 -10.336 823 HB1 ALA 102 HB1 ALA 102 8.468 4.198 -12.205 824 HB2 ALA 102 HB2 ALA 102 8.603 2.408 -12.252 825 HB3 ALA 102 HB3 ALA 102 7.752 3.200 -10.906 826 H ARG 103 H ARG 103 9.914 0.716 -11.126 827 HA ARG 103 HA ARG 103 8.987 -0.029 -8.490 828 HB2 ARG 103 HB2 ARG 103 8.726 -1.339 -10.561 829 HB3 ARG 103 HB3 ARG 103 10.459 -1.727 -10.515 830 HG2 ARG 103 HG2 ARG 103 10.237 -3.001 -8.521 831 HG3 ARG 103 HG3 ARG 103 8.656 -2.281 -8.125 832 HD2 ARG 103 HD2 ARG 103 7.602 -3.355 -9.989 833 HD3 ARG 103 HD3 ARG 103 9.153 -4.003 -10.569 834 HE ARG 103 HE ARG 103 8.716 -4.877 -7.888 835 HH11 ARG 103 HH11 ARG 103 7.494 -5.544 -11.103 836 HH12 ARG 103 HH12 ARG 103 7.091 -7.202 -10.709 837 HH21 ARG 103 HH21 ARG 103 8.190 -7.010 -7.455 838 HH22 ARG 103 HH22 ARG 103 7.475 -7.993 -8.706 839 H GLY 104 H GLY 104 12.124 0.749 -9.746 840 HA2 GLY 104 HA2 GLY 104 13.583 -0.106 -7.284 841 HA3 GLY 104 HA3 GLY 104 14.269 0.835 -8.619 842 H SER 105 H SER 105 12.813 2.977 -8.980 843 HA SER 105 HA SER 105 13.822 4.766 -7.091 844 HB2 SER 105 HB2 SER 105 11.437 5.172 -8.929 845 HB3 SER 105 HB3 SER 105 12.353 6.445 -8.103 846 HG SER 105 HG SER 105 13.046 6.063 -10.272 847 H TRP 106 H TRP 106 10.494 3.408 -7.168 848 HA TRP 106 HA TRP 106 9.299 5.025 -5.287 849 HB2 TRP 106 HB2 TRP 106 8.296 3.234 -6.726 850 HB3 TRP 106 HB3 TRP 106 8.841 2.035 -5.587 851 HD1 TRP 106 HD1 TRP 106 6.021 4.435 -6.193 852 HE1 TRP 106 HE1 TRP 106 4.432 4.572 -4.274 853 HE3 TRP 106 HE3 TRP 106 8.628 1.617 -2.783 854 HZ2 TRP 106 HZ2 TRP 106 4.478 3.995 -1.403 855 HZ3 TRP 106 HZ3 TRP 106 7.876 1.505 -0.444 856 HH2 TRP 106 HH2 TRP 106 5.821 2.730 0.287 857 H SER 107 H SER 107 11.090 1.990 -4.482 858 HA SER 107 HA SER 107 10.750 2.340 -1.616 859 HB2 SER 107 HB2 SER 107 12.575 0.504 -3.193 860 HB3 SER 107 HB3 SER 107 12.245 0.395 -1.457 861 HG SER 107 HG SER 107 10.907 -1.016 -2.622 862 H LEU 108 H LEU 108 12.659 3.914 -3.838 863 HA LEU 108 HA LEU 108 14.830 4.592 -1.968 864 HB2 LEU 108 HB2 LEU 108 14.553 4.146 -4.929 865 HB3 LEU 108 HB3 LEU 108 15.458 5.576 -4.516 866 HG LEU 108 HG LEU 108 17.063 4.229 -3.236 867 HD11 LEU 108 HD11 LEU 108 16.936 1.715 -3.322 868 HD12 LEU 108 HD12 LEU 108 15.690 2.442 -2.309 869 HD13 LEU 108 HD13 LEU 108 15.280 1.858 -3.945 870 HD21 LEU 108 HD21 LEU 108 17.955 2.907 -5.131 871 HD22 LEU 108 HD22 LEU 108 16.365 3.009 -5.939 872 HD23 LEU 108 HD23 LEU 108 17.335 4.474 -5.678 873 H GLU 109 H GLU 109 11.920 5.807 -3.347 874 HA GLU 109 HA GLU 109 12.520 8.660 -2.702 875 HB2 GLU 109 HB2 GLU 109 9.974 7.439 -3.842 876 HB3 GLU 109 HB3 GLU 109 10.388 9.138 -3.722 877 HG2 GLU 109 HG2 GLU 109 12.447 8.177 -5.318 878 HG3 GLU 109 HG3 GLU 109 11.101 7.125 -5.748 879 H HIS 110 H HIS 110 10.188 6.076 -1.864 880 HA HIS 110 HA HIS 110 8.849 7.785 0.134 881 HB2 HIS 110 HB2 HIS 110 8.180 5.089 -1.098 882 HB3 HIS 110 HB3 HIS 110 7.193 5.891 0.122 883 HD2 HIS 110 HD2 HIS 110 7.847 5.901 -3.597 884 HE1 HIS 110 HE1 HIS 110 5.265 9.217 -2.882 885 HE2 HIS 110 HE2 HIS 110 6.316 7.751 -4.679 886 H HIS 111 H HIS 111 11.512 6.038 0.376 887 HA HIS 111 HA HIS 111 11.076 5.396 3.253 888 HB2 HIS 111 HB2 HIS 111 10.840 3.290 1.884 889 HB3 HIS 111 HB3 HIS 111 12.502 3.538 1.342 890 HD2 HIS 111 HD2 HIS 111 14.225 2.270 2.757 891 HE1 HIS 111 HE1 HIS 111 12.165 2.055 6.485 892 HE2 HIS 111 HE2 HIS 111 14.263 1.349 5.238 893 H HIS 112 H HIS 112 12.918 5.586 4.526 894 HA HIS 112 HA HIS 112 15.448 6.601 3.391 895 HB2 HIS 112 HB2 HIS 112 14.006 8.597 3.526 896 HB3 HIS 112 HB3 HIS 112 13.625 8.234 5.204 897 HD2 HIS 112 HD2 HIS 112 17.069 8.551 3.342 898 HE1 HIS 112 HE1 HIS 112 17.156 11.158 6.711 899 HE2 HIS 112 HE2 HIS 112 18.490 10.262 4.740 900 H HIS 113 H HIS 113 17.037 5.642 4.475 901 HA HIS 113 HA HIS 113 16.893 5.027 7.357 902 HB2 HIS 113 HB2 HIS 113 15.681 3.177 6.214 903 HB3 HIS 113 HB3 HIS 113 17.098 2.874 5.213 904 HD2 HIS 113 HD2 HIS 113 18.374 0.806 6.074 905 HE1 HIS 113 HE1 HIS 113 17.861 1.277 10.274 906 HE2 HIS 113 HE2 HIS 113 18.904 -0.167 8.460 907 H HIS 114 H HIS 114 18.902 4.089 8.161 908 HA HIS 114 HA HIS 114 21.375 4.369 6.612 909 HB2 HIS 114 HB2 HIS 114 22.304 6.112 8.116 910 HB3 HIS 114 HB3 HIS 114 20.948 6.697 7.170 911 HD2 HIS 114 HD2 HIS 114 21.882 5.765 10.808 912 HE1 HIS 114 HE1 HIS 114 18.188 7.873 10.996 913 HE2 HIS 114 HE2 HIS 114 20.061 6.845 12.369 914 H HIS 115 H HIS 115 23.292 3.825 7.874 915 HA HIS 115 HA HIS 115 22.950 2.388 10.434 916 HB2 HIS 115 HB2 HIS 115 22.486 0.686 8.703 917 HB3 HIS 115 HB3 HIS 115 24.026 1.042 7.924 918 HD2 HIS 115 HD2 HIS 115 26.187 -0.102 8.927 919 HE1 HIS 115 HE1 HIS 115 24.376 -2.131 12.209 920 HE2 HIS 115 HE2 HIS 115 26.514 -1.867 10.861 Start of MODEL 18 1 H1 MET 1 H1 MET 1 2.676 0.045 0.652 2 H2 MET 1 H2 MET 1 3.079 -1.241 -0.293 3 H3 MET 1 H3 MET 1 1.581 -1.136 0.336 4 HA MET 1 HA MET 1 1.087 0.818 -0.959 5 HB2 MET 1 HB2 MET 1 2.555 1.737 -2.542 6 HB3 MET 1 HB3 MET 1 3.497 1.560 -1.075 7 HG2 MET 1 HG2 MET 1 3.619 -0.249 -3.523 8 HG3 MET 1 HG3 MET 1 4.783 0.987 -3.099 9 HE1 MET 1 HE1 MET 1 5.697 -1.798 -3.924 10 HE2 MET 1 HE2 MET 1 6.837 -0.561 -3.345 11 HE3 MET 1 HE3 MET 1 6.906 -2.207 -2.687 12 H ARG 2 H ARG 2 0.118 0.623 -3.132 13 HA ARG 2 HA ARG 2 -0.290 -2.204 -3.816 14 HB2 ARG 2 HB2 ARG 2 -2.202 -0.560 -3.652 15 HB3 ARG 2 HB3 ARG 2 -1.580 0.225 -5.087 16 HG2 ARG 2 HG2 ARG 2 -2.046 -1.646 -6.488 17 HG3 ARG 2 HG3 ARG 2 -1.952 -2.795 -5.172 18 HD2 ARG 2 HD2 ARG 2 -4.253 -0.955 -5.792 19 HD3 ARG 2 HD3 ARG 2 -4.204 -2.698 -5.996 20 HE ARG 2 HE ARG 2 -4.833 -1.255 -3.600 21 HH11 ARG 2 HH11 ARG 2 -3.349 -4.322 -4.549 22 HH12 ARG 2 HH12 ARG 2 -3.285 -4.874 -2.904 23 HH21 ARG 2 HH21 ARG 2 -4.937 -2.191 -1.571 24 HH22 ARG 2 HH22 ARG 2 -4.310 -3.808 -1.326 25 H VAL 3 H VAL 3 0.134 -3.211 -5.677 26 HA VAL 3 HA VAL 3 1.809 -1.859 -7.734 27 HB VAL 3 HB VAL 3 2.126 -4.652 -6.560 28 HG11 VAL 3 HG11 VAL 3 3.672 -3.283 -8.804 29 HG12 VAL 3 HG12 VAL 3 4.116 -4.821 -8.036 30 HG13 VAL 3 HG13 VAL 3 2.635 -4.731 -8.980 31 HG21 VAL 3 HG21 VAL 3 4.396 -3.789 -5.933 32 HG22 VAL 3 HG22 VAL 3 3.919 -2.183 -6.515 33 HG23 VAL 3 HG23 VAL 3 3.094 -2.913 -5.120 34 H ILE 4 H ILE 4 1.353 -2.309 -9.812 35 HA ILE 4 HA ILE 4 -0.675 -4.357 -10.569 36 HB ILE 4 HB ILE 4 -0.782 -1.403 -11.116 37 HG12 ILE 4 HG12 ILE 4 -2.498 -3.567 -9.837 38 HG13 ILE 4 HG13 ILE 4 -2.053 -2.001 -9.196 39 HG21 ILE 4 HG21 ILE 4 -2.261 -3.519 -12.702 40 HG22 ILE 4 HG22 ILE 4 -2.487 -1.754 -12.810 41 HG23 ILE 4 HG23 ILE 4 -0.953 -2.440 -13.303 42 HD11 ILE 4 HD11 ILE 4 -4.407 -1.970 -9.641 43 HD12 ILE 4 HD12 ILE 4 -3.612 -1.001 -10.919 44 HD13 ILE 4 HD13 ILE 4 -4.191 -2.637 -11.268 45 H VAL 5 H VAL 5 -0.384 -5.214 -12.519 46 HA VAL 5 HA VAL 5 1.854 -4.198 -14.180 47 HB VAL 5 HB VAL 5 1.387 -7.150 -13.737 48 HG11 VAL 5 HG11 VAL 5 3.597 -5.686 -15.248 49 HG12 VAL 5 HG12 VAL 5 3.429 -7.445 -15.055 50 HG13 VAL 5 HG13 VAL 5 2.251 -6.549 -16.015 51 HG21 VAL 5 HG21 VAL 5 3.626 -7.148 -12.659 52 HG22 VAL 5 HG22 VAL 5 3.638 -5.380 -12.707 53 HG23 VAL 5 HG23 VAL 5 2.437 -6.242 -11.730 54 H VAL 6 H VAL 6 0.980 -3.482 -15.993 55 HA VAL 6 HA VAL 6 -1.451 -4.887 -17.099 56 HB VAL 6 HB VAL 6 -0.478 -2.115 -17.800 57 HG11 VAL 6 HG11 VAL 6 -3.021 -3.678 -18.423 58 HG12 VAL 6 HG12 VAL 6 -2.809 -1.934 -18.698 59 HG13 VAL 6 HG13 VAL 6 -1.801 -3.067 -19.584 60 HG21 VAL 6 HG21 VAL 6 -1.231 -1.990 -15.505 61 HG22 VAL 6 HG22 VAL 6 -2.574 -1.404 -16.485 62 HG23 VAL 6 HG23 VAL 6 -2.625 -3.053 -15.838 63 H ILE 7 H ILE 7 -1.387 -5.720 -19.163 64 HA ILE 7 HA ILE 7 1.201 -5.460 -20.661 65 HB ILE 7 HB ILE 7 -0.413 -8.005 -20.355 66 HG12 ILE 7 HG12 ILE 7 1.864 -8.764 -19.253 67 HG13 ILE 7 HG13 ILE 7 2.032 -7.053 -18.855 68 HG21 ILE 7 HG21 ILE 7 0.656 -8.022 -22.469 69 HG22 ILE 7 HG22 ILE 7 2.169 -7.345 -21.816 70 HG23 ILE 7 HG23 ILE 7 1.676 -8.995 -21.429 71 HD11 ILE 7 HD11 ILE 7 1.057 -8.523 -17.059 72 HD12 ILE 7 HD12 ILE 7 0.071 -7.119 -17.476 73 HD13 ILE 7 HD13 ILE 7 -0.386 -8.738 -18.069 74 H VAL 8 H VAL 8 1.063 -4.979 -22.803 75 HA VAL 8 HA VAL 8 -1.561 -4.783 -24.106 76 HB VAL 8 HB VAL 8 1.132 -4.592 -25.507 77 HG11 VAL 8 HG11 VAL 8 -1.620 -3.391 -26.064 78 HG12 VAL 8 HG12 VAL 8 -0.172 -3.201 -27.083 79 HG13 VAL 8 HG13 VAL 8 -0.956 -4.777 -26.934 80 HG21 VAL 8 HG21 VAL 8 0.888 -2.134 -25.258 81 HG22 VAL 8 HG22 VAL 8 -0.448 -2.386 -24.115 82 HG23 VAL 8 HG23 VAL 8 1.193 -2.936 -23.711 83 H GLY 9 H GLY 9 -2.584 -6.463 -25.004 84 HA2 GLY 9 HA2 GLY 9 -1.143 -8.740 -26.226 85 HA3 GLY 9 HA3 GLY 9 -2.079 -9.052 -24.769 86 HA PRO 10 HA PRO 10 -2.555 -11.154 -25.592 87 HB2 PRO 10 HB2 PRO 10 -3.319 -13.084 -27.397 88 HB3 PRO 10 HB3 PRO 10 -4.302 -12.543 -26.007 89 HG2 PRO 10 HG2 PRO 10 -4.494 -11.634 -28.892 90 HG3 PRO 10 HG3 PRO 10 -5.824 -12.134 -27.794 91 HD2 PRO 10 HD2 PRO 10 -5.213 -9.506 -28.202 92 HD3 PRO 10 HD3 PRO 10 -5.696 -10.105 -26.584 93 H SER 11 H SER 11 -2.676 -10.580 -29.164 94 HA SER 11 HA SER 11 0.032 -11.490 -29.652 95 HB2 SER 11 HB2 SER 11 -1.812 -9.828 -31.407 96 HB3 SER 11 HB3 SER 11 -0.363 -10.706 -31.920 97 HG SER 11 HG SER 11 -2.292 -11.888 -32.305 98 H GLY 12 H GLY 12 -1.158 -8.508 -28.452 99 HA2 GLY 12 HA2 GLY 12 0.252 -6.473 -29.610 100 HA3 GLY 12 HA3 GLY 12 -0.161 -6.525 -27.897 101 H ALA 13 H ALA 13 1.500 -8.277 -26.768 102 HA ALA 13 HA ALA 13 4.298 -7.619 -27.610 103 HB1 ALA 13 HB1 ALA 13 3.579 -6.478 -25.537 104 HB2 ALA 13 HB2 ALA 13 3.220 -8.049 -24.797 105 HB3 ALA 13 HB3 ALA 13 4.893 -7.644 -25.246 106 H GLY 14 H GLY 14 2.098 -10.211 -26.678 107 HA2 GLY 14 HA2 GLY 14 3.024 -12.158 -28.164 108 HA3 GLY 14 HA3 GLY 14 4.228 -12.280 -26.876 109 H LYS 15 H LYS 15 1.886 -13.925 -27.937 110 HA LYS 15 HA LYS 15 -0.212 -14.046 -26.048 111 HB2 LYS 15 HB2 LYS 15 0.749 -16.184 -27.996 112 HB3 LYS 15 HB3 LYS 15 -0.834 -16.130 -27.209 113 HG2 LYS 15 HG2 LYS 15 -1.303 -13.934 -28.285 114 HG3 LYS 15 HG3 LYS 15 0.234 -14.012 -29.135 115 HD2 LYS 15 HD2 LYS 15 -2.041 -16.000 -29.464 116 HD3 LYS 15 HD3 LYS 15 -1.676 -14.639 -30.534 117 HE2 LYS 15 HE2 LYS 15 0.563 -15.619 -31.020 118 HE3 LYS 15 HE3 LYS 15 0.181 -16.994 -29.991 119 HZ1 LYS 15 HZ1 LYS 15 -1.309 -16.246 -32.449 120 HZ2 LYS 15 HZ2 LYS 15 -0.272 -17.491 -32.315 121 HZ3 LYS 15 HZ3 LYS 15 -1.674 -17.515 -31.485 122 H THR 16 H THR 16 2.828 -15.795 -26.047 123 HA THR 16 HA THR 16 2.137 -17.198 -23.494 124 HB THR 16 HB THR 16 4.672 -17.364 -25.170 125 HG1 THR 16 HG1 THR 16 2.866 -18.215 -26.244 126 HG21 THR 16 HG21 THR 16 5.110 -18.095 -22.878 127 HG22 THR 16 HG22 THR 16 3.620 -19.070 -22.872 128 HG23 THR 16 HG23 THR 16 4.985 -19.512 -23.925 129 H THR 17 H THR 17 3.882 -14.376 -24.639 130 HA THR 17 HA THR 17 5.622 -14.017 -22.377 131 HB THR 17 HB THR 17 4.499 -12.049 -24.390 132 HG1 THR 17 HG1 THR 17 6.171 -13.449 -25.065 133 HG21 THR 17 HG21 THR 17 4.747 -10.807 -22.372 134 HG22 THR 17 HG22 THR 17 6.250 -11.642 -21.958 135 HG23 THR 17 HG23 THR 17 6.214 -10.479 -23.333 136 H LEU 18 H LEU 18 2.393 -12.544 -23.046 137 HA LEU 18 HA LEU 18 2.139 -11.146 -20.589 138 HB2 LEU 18 HB2 LEU 18 -0.230 -11.008 -21.162 139 HB3 LEU 18 HB3 LEU 18 0.774 -10.782 -22.581 140 HG LEU 18 HG LEU 18 0.339 -13.384 -22.986 141 HD11 LEU 18 HD11 LEU 18 -2.162 -12.554 -21.437 142 HD12 LEU 18 HD12 LEU 18 -1.966 -14.019 -22.406 143 HD13 LEU 18 HD13 LEU 18 -1.019 -13.823 -20.927 144 HD21 LEU 18 HD21 LEU 18 -1.744 -11.222 -23.450 145 HD22 LEU 18 HD22 LEU 18 -0.306 -11.534 -24.455 146 HD23 LEU 18 HD23 LEU 18 -1.586 -12.751 -24.356 147 H ASP 19 H ASP 19 2.200 -14.356 -21.107 148 HA ASP 19 HA ASP 19 0.275 -15.335 -19.091 149 HB2 ASP 19 HB2 ASP 19 1.133 -16.174 -21.574 150 HB3 ASP 19 HB3 ASP 19 2.129 -17.167 -20.536 151 H GLU 20 H GLU 20 3.726 -15.982 -19.947 152 HA GLU 20 HA GLU 20 4.457 -16.857 -17.384 153 HB2 GLU 20 HB2 GLU 20 6.728 -16.693 -18.042 154 HB3 GLU 20 HB3 GLU 20 5.787 -17.228 -19.438 155 HG2 GLU 20 HG2 GLU 20 5.938 -15.062 -20.476 156 HG3 GLU 20 HG3 GLU 20 6.684 -14.351 -19.036 157 H LEU 21 H LEU 21 4.133 -13.602 -18.653 158 HA LEU 21 HA LEU 21 5.329 -12.187 -16.433 159 HB2 LEU 21 HB2 LEU 21 3.535 -11.544 -18.748 160 HB3 LEU 21 HB3 LEU 21 3.512 -10.437 -17.406 161 HG LEU 21 HG LEU 21 5.069 -9.965 -19.352 162 HD11 LEU 21 HD11 LEU 21 6.320 -9.983 -16.557 163 HD12 LEU 21 HD12 LEU 21 6.692 -8.850 -17.881 164 HD13 LEU 21 HD13 LEU 21 5.102 -8.817 -17.103 165 HD21 LEU 21 HD21 LEU 21 6.271 -12.101 -19.584 166 HD22 LEU 21 HD22 LEU 21 7.370 -10.762 -19.253 167 HD23 LEU 21 HD23 LEU 21 6.961 -11.906 -17.962 168 H ALA 22 H ALA 22 1.763 -12.700 -17.138 169 HA ALA 22 HA ALA 22 0.931 -11.823 -14.626 170 HB1 ALA 22 HB1 ALA 22 -0.360 -13.920 -16.428 171 HB2 ALA 22 HB2 ALA 22 -1.151 -13.019 -15.119 172 HB3 ALA 22 HB3 ALA 22 -0.555 -12.149 -16.537 173 H ARG 23 H ARG 23 1.968 -15.093 -15.517 174 HA ARG 23 HA ARG 23 1.497 -16.440 -13.041 175 HB2 ARG 23 HB2 ARG 23 3.561 -16.817 -15.249 176 HB3 ARG 23 HB3 ARG 23 3.449 -17.904 -13.863 177 HG2 ARG 23 HG2 ARG 23 1.311 -18.690 -14.463 178 HG3 ARG 23 HG3 ARG 23 1.031 -17.389 -15.626 179 HD2 ARG 23 HD2 ARG 23 2.770 -18.238 -17.112 180 HD3 ARG 23 HD3 ARG 23 3.273 -19.437 -15.904 181 HE ARG 23 HE ARG 23 0.478 -19.664 -16.619 182 HH11 ARG 23 HH11 ARG 23 3.656 -20.590 -17.801 183 HH12 ARG 23 HH12 ARG 23 3.026 -21.966 -18.679 184 HH21 ARG 23 HH21 ARG 23 -0.253 -21.413 -17.774 185 HH22 ARG 23 HH22 ARG 23 0.863 -22.405 -18.673 186 H LYS 24 H LYS 24 4.683 -15.167 -14.152 187 HA LYS 24 HA LYS 24 5.924 -15.557 -11.617 188 HB2 LYS 24 HB2 LYS 24 6.692 -13.839 -14.015 189 HB3 LYS 24 HB3 LYS 24 7.687 -13.945 -12.563 190 HG2 LYS 24 HG2 LYS 24 7.831 -16.381 -12.755 191 HG3 LYS 24 HG3 LYS 24 6.836 -16.370 -14.206 192 HD2 LYS 24 HD2 LYS 24 9.496 -14.888 -14.010 193 HD3 LYS 24 HD3 LYS 24 9.345 -16.579 -14.518 194 HE2 LYS 24 HE2 LYS 24 7.799 -15.907 -16.330 195 HE3 LYS 24 HE3 LYS 24 7.998 -14.213 -15.885 196 HZ1 LYS 24 HZ1 LYS 24 10.266 -15.959 -16.675 197 HZ2 LYS 24 HZ2 LYS 24 9.474 -15.034 -17.732 198 HZ3 LYS 24 HZ3 LYS 24 10.304 -14.331 -16.507 199 H ALA 25 H ALA 25 4.489 -12.561 -12.952 200 HA ALA 25 HA ALA 25 5.046 -10.891 -10.696 201 HB1 ALA 25 HB1 ALA 25 2.716 -10.732 -12.646 202 HB2 ALA 25 HB2 ALA 25 3.347 -9.447 -11.585 203 HB3 ALA 25 HB3 ALA 25 4.336 -10.055 -12.925 204 H LYS 26 H LYS 26 1.746 -12.533 -11.331 205 HA LYS 26 HA LYS 26 0.969 -11.816 -8.736 206 HB2 LYS 26 HB2 LYS 26 -0.476 -12.678 -10.733 207 HB3 LYS 26 HB3 LYS 26 -0.052 -14.294 -10.158 208 HG2 LYS 26 HG2 LYS 26 -2.074 -13.916 -9.049 209 HG3 LYS 26 HG3 LYS 26 -0.919 -13.414 -7.826 210 HD2 LYS 26 HD2 LYS 26 -1.264 -11.006 -9.006 211 HD3 LYS 26 HD3 LYS 26 -2.803 -11.765 -9.488 212 HE2 LYS 26 HE2 LYS 26 -2.793 -12.525 -6.921 213 HE3 LYS 26 HE3 LYS 26 -1.644 -11.185 -6.787 214 HZ1 LYS 26 HZ1 LYS 26 -3.940 -10.475 -6.333 215 HZ2 LYS 26 HZ2 LYS 26 -3.334 -9.708 -7.636 216 HZ3 LYS 26 HZ3 LYS 26 -4.418 -10.914 -7.826 217 H GLU 27 H GLU 27 2.851 -14.701 -9.676 218 HA GLU 27 HA GLU 27 2.737 -16.042 -7.148 219 HB2 GLU 27 HB2 GLU 27 4.788 -15.976 -9.389 220 HB3 GLU 27 HB3 GLU 27 5.121 -16.807 -7.879 221 HG2 GLU 27 HG2 GLU 27 3.089 -18.179 -8.141 222 HG3 GLU 27 HG3 GLU 27 2.710 -17.391 -9.658 223 H GLU 28 H GLU 28 5.140 -13.580 -8.269 224 HA GLU 28 HA GLU 28 6.349 -13.498 -5.584 225 HB2 GLU 28 HB2 GLU 28 8.047 -12.202 -6.512 226 HB3 GLU 28 HB3 GLU 28 7.650 -13.411 -7.731 227 HG2 GLU 28 HG2 GLU 28 6.146 -11.528 -8.772 228 HG3 GLU 28 HG3 GLU 28 7.038 -10.451 -7.712 229 H VAL 29 H VAL 29 3.895 -11.701 -7.179 230 HA VAL 29 HA VAL 29 3.590 -9.876 -4.868 231 HB VAL 29 HB VAL 29 2.978 -8.010 -6.239 232 HG11 VAL 29 HG11 VAL 29 5.174 -7.256 -6.807 233 HG12 VAL 29 HG12 VAL 29 5.327 -8.304 -5.378 234 HG13 VAL 29 HG13 VAL 29 5.760 -8.913 -7.001 235 HG21 VAL 29 HG21 VAL 29 3.400 -7.791 -8.556 236 HG22 VAL 29 HG22 VAL 29 4.289 -9.326 -8.630 237 HG23 VAL 29 HG23 VAL 29 2.532 -9.349 -8.404 238 HA PRO 30 HA PRO 30 -0.205 -12.351 -5.713 239 HB2 PRO 30 HB2 PRO 30 -0.648 -13.100 -3.130 240 HB3 PRO 30 HB3 PRO 30 0.535 -13.933 -4.199 241 HG2 PRO 30 HG2 PRO 30 1.042 -11.763 -2.131 242 HG3 PRO 30 HG3 PRO 30 1.924 -13.318 -2.334 243 HD2 PRO 30 HD2 PRO 30 2.829 -10.966 -3.403 244 HD3 PRO 30 HD3 PRO 30 3.039 -12.514 -4.276 245 H ASP 31 H ASP 31 0.434 -9.458 -4.123 246 HA ASP 31 HA ASP 31 -2.432 -8.915 -3.456 247 HB2 ASP 31 HB2 ASP 31 -0.236 -8.444 -1.986 248 HB3 ASP 31 HB3 ASP 31 -0.213 -6.969 -2.911 249 H ALA 32 H ALA 32 -0.081 -8.432 -5.869 250 HA ALA 32 HA ALA 32 -0.965 -5.836 -6.795 251 HB1 ALA 32 HB1 ALA 32 0.815 -7.923 -8.121 252 HB2 ALA 32 HB2 ALA 32 0.723 -6.207 -8.562 253 HB3 ALA 32 HB3 ALA 32 1.382 -6.675 -6.976 254 H GLU 33 H GLU 33 -1.756 -5.457 -9.038 255 HA GLU 33 HA GLU 33 -3.652 -7.654 -9.836 256 HB2 GLU 33 HB2 GLU 33 -4.090 -4.844 -10.768 257 HB3 GLU 33 HB3 GLU 33 -5.230 -6.148 -10.554 258 HG2 GLU 33 HG2 GLU 33 -3.880 -4.679 -8.253 259 HG3 GLU 33 HG3 GLU 33 -5.382 -4.187 -8.996 260 H ILE 34 H ILE 34 -2.850 -8.825 -11.404 261 HA ILE 34 HA ILE 34 -1.436 -7.484 -13.589 262 HB ILE 34 HB ILE 34 -1.635 -10.464 -13.364 263 HG12 ILE 34 HG12 ILE 34 -1.112 -9.969 -11.083 264 HG13 ILE 34 HG13 ILE 34 0.273 -10.612 -11.902 265 HG21 ILE 34 HG21 ILE 34 0.917 -9.805 -14.091 266 HG22 ILE 34 HG22 ILE 34 -0.440 -10.054 -15.226 267 HG23 ILE 34 HG23 ILE 34 0.029 -8.437 -14.763 268 HD11 ILE 34 HD11 ILE 34 1.357 -8.446 -11.967 269 HD12 ILE 34 HD12 ILE 34 -0.071 -7.637 -11.303 270 HD13 ILE 34 HD13 ILE 34 0.811 -8.817 -10.310 271 H ARG 35 H ARG 35 -2.414 -7.038 -15.428 272 HA ARG 35 HA ARG 35 -4.522 -8.807 -16.529 273 HB2 ARG 35 HB2 ARG 35 -6.074 -6.921 -16.991 274 HB3 ARG 35 HB3 ARG 35 -5.954 -7.297 -15.298 275 HG2 ARG 35 HG2 ARG 35 -4.377 -5.004 -16.529 276 HG3 ARG 35 HG3 ARG 35 -6.033 -4.910 -15.905 277 HD2 ARG 35 HD2 ARG 35 -4.885 -6.128 -13.796 278 HD3 ARG 35 HD3 ARG 35 -3.482 -5.326 -14.404 279 HE ARG 35 HE ARG 35 -4.801 -3.144 -14.170 280 HH11 ARG 35 HH11 ARG 35 -6.494 -5.929 -12.769 281 HH12 ARG 35 HH12 ARG 35 -7.607 -4.825 -11.969 282 HH21 ARG 35 HH21 ARG 35 -6.382 -1.963 -13.099 283 HH22 ARG 35 HH22 ARG 35 -7.477 -2.874 -12.063 284 H THR 36 H THR 36 -5.297 -8.126 -18.711 285 HA THR 36 HA THR 36 -3.155 -6.740 -20.240 286 HB THR 36 HB THR 36 -3.314 -8.251 -22.060 287 HG1 THR 36 HG1 THR 36 -4.819 -9.958 -22.029 288 HG21 THR 36 HG21 THR 36 -3.525 -10.228 -19.770 289 HG22 THR 36 HG22 THR 36 -2.570 -10.305 -21.273 290 HG23 THR 36 HG23 THR 36 -2.092 -9.206 -19.971 291 H VAL 37 H VAL 37 -3.721 -5.889 -22.294 292 HA VAL 37 HA VAL 37 -6.553 -5.063 -22.744 293 HB VAL 37 HB VAL 37 -6.272 -2.960 -22.611 294 HG11 VAL 37 HG11 VAL 37 -4.761 -2.009 -21.028 295 HG12 VAL 37 HG12 VAL 37 -5.474 -3.531 -20.440 296 HG13 VAL 37 HG13 VAL 37 -3.769 -3.487 -21.015 297 HG21 VAL 37 HG21 VAL 37 -3.571 -3.094 -23.838 298 HG22 VAL 37 HG22 VAL 37 -5.168 -2.426 -24.390 299 HG23 VAL 37 HG23 VAL 37 -4.253 -1.624 -23.106 300 H THR 38 H THR 38 -7.006 -4.476 -24.821 301 HA THR 38 HA THR 38 -4.966 -5.248 -26.905 302 HB THR 38 HB THR 38 -6.441 -7.149 -26.465 303 HG1 THR 38 HG1 THR 38 -5.629 -6.963 -28.478 304 HG21 THR 38 HG21 THR 38 -8.507 -6.075 -25.842 305 HG22 THR 38 HG22 THR 38 -8.680 -5.339 -27.454 306 HG23 THR 38 HG23 THR 38 -8.790 -7.103 -27.254 307 H THR 39 H THR 39 -7.482 -3.077 -26.004 308 HA THR 39 HA THR 39 -6.920 -1.288 -28.309 309 HB THR 39 HB THR 39 -9.506 -0.867 -28.274 310 HG1 THR 39 HG1 THR 39 -10.637 -2.802 -27.791 311 HG21 THR 39 HG21 THR 39 -8.327 -1.917 -30.205 312 HG22 THR 39 HG22 THR 39 -8.572 -3.510 -29.448 313 HG23 THR 39 HG23 THR 39 -9.970 -2.530 -29.959 314 H LYS 40 H LYS 40 -8.022 0.816 -27.990 315 HA LYS 40 HA LYS 40 -7.114 2.130 -25.715 316 HB2 LYS 40 HB2 LYS 40 -8.469 4.031 -26.516 317 HB3 LYS 40 HB3 LYS 40 -7.582 3.235 -27.789 318 HG2 LYS 40 HG2 LYS 40 -9.542 3.632 -28.864 319 HG3 LYS 40 HG3 LYS 40 -9.804 1.990 -28.341 320 HD2 LYS 40 HD2 LYS 40 -11.809 3.273 -28.083 321 HD3 LYS 40 HD3 LYS 40 -11.262 2.835 -26.473 322 HE2 LYS 40 HE2 LYS 40 -10.304 5.096 -26.161 323 HE3 LYS 40 HE3 LYS 40 -10.712 5.515 -27.826 324 HZ1 LYS 40 HZ1 LYS 40 -12.682 4.873 -25.704 325 HZ2 LYS 40 HZ2 LYS 40 -12.371 6.363 -26.300 326 HZ3 LYS 40 HZ3 LYS 40 -13.056 5.245 -27.259 327 H GLU 41 H GLU 41 -10.144 0.456 -26.149 328 HA GLU 41 HA GLU 41 -11.454 1.662 -23.831 329 HB2 GLU 41 HB2 GLU 41 -13.189 -0.047 -24.202 330 HB3 GLU 41 HB3 GLU 41 -12.800 0.897 -25.650 331 HG2 GLU 41 HG2 GLU 41 -11.577 -0.885 -26.629 332 HG3 GLU 41 HG3 GLU 41 -11.690 -1.889 -25.172 333 H ASP 42 H ASP 42 -9.749 -1.394 -24.444 334 HA ASP 42 HA ASP 42 -10.100 -2.447 -21.749 335 HB2 ASP 42 HB2 ASP 42 -8.157 -3.067 -23.966 336 HB3 ASP 42 HB3 ASP 42 -8.179 -3.851 -22.405 337 H ALA 43 H ALA 43 -7.571 -0.481 -23.303 338 HA ALA 43 HA ALA 43 -5.882 -0.273 -20.985 339 HB1 ALA 43 HB1 ALA 43 -6.379 1.488 -23.400 340 HB2 ALA 43 HB2 ALA 43 -5.161 1.862 -22.144 341 HB3 ALA 43 HB3 ALA 43 -5.054 0.344 -23.061 342 H LYS 44 H LYS 44 -8.669 1.680 -22.073 343 HA LYS 44 HA LYS 44 -8.593 3.528 -19.901 344 HB2 LYS 44 HB2 LYS 44 -9.775 3.941 -22.000 345 HB3 LYS 44 HB3 LYS 44 -10.994 2.724 -21.582 346 HG2 LYS 44 HG2 LYS 44 -11.898 4.015 -19.867 347 HG3 LYS 44 HG3 LYS 44 -10.401 4.879 -19.542 348 HD2 LYS 44 HD2 LYS 44 -10.662 6.054 -21.763 349 HD3 LYS 44 HD3 LYS 44 -12.293 5.352 -21.875 350 HE2 LYS 44 HE2 LYS 44 -12.795 6.385 -19.622 351 HE3 LYS 44 HE3 LYS 44 -11.184 7.094 -19.624 352 HZ1 LYS 44 HZ1 LYS 44 -11.819 8.373 -21.595 353 HZ2 LYS 44 HZ2 LYS 44 -13.305 7.692 -21.625 354 HZ3 LYS 44 HZ3 LYS 44 -12.887 8.665 -20.397 355 H ARG 45 H ARG 45 -10.362 0.502 -20.302 356 HA ARG 45 HA ARG 45 -11.770 0.265 -17.859 357 HB2 ARG 45 HB2 ARG 45 -12.241 -1.080 -19.765 358 HB3 ARG 45 HB3 ARG 45 -10.577 -1.626 -19.874 359 HG2 ARG 45 HG2 ARG 45 -10.969 -2.927 -17.705 360 HG3 ARG 45 HG3 ARG 45 -12.696 -2.576 -17.949 361 HD2 ARG 45 HD2 ARG 45 -12.538 -3.576 -20.237 362 HD3 ARG 45 HD3 ARG 45 -10.810 -3.883 -19.975 363 HE ARG 45 HE ARG 45 -12.380 -5.059 -17.889 364 HH11 ARG 45 HH11 ARG 45 -11.415 -5.724 -21.231 365 HH12 ARG 45 HH12 ARG 45 -11.802 -7.414 -21.071 366 HH21 ARG 45 HH21 ARG 45 -12.774 -7.226 -17.789 367 HH22 ARG 45 HH22 ARG 45 -12.499 -8.251 -19.181 368 H VAL 46 H VAL 46 -8.601 -1.312 -18.627 369 HA VAL 46 HA VAL 46 -8.250 -2.245 -15.957 370 HB VAL 46 HB VAL 46 -6.000 -2.699 -16.477 371 HG11 VAL 46 HG11 VAL 46 -7.710 -3.399 -18.912 372 HG12 VAL 46 HG12 VAL 46 -6.311 -4.278 -18.310 373 HG13 VAL 46 HG13 VAL 46 -7.801 -4.209 -17.344 374 HG21 VAL 46 HG21 VAL 46 -5.197 -0.806 -17.639 375 HG22 VAL 46 HG22 VAL 46 -4.968 -2.251 -18.628 376 HG23 VAL 46 HG23 VAL 46 -6.294 -1.111 -19.012 377 H ALA 47 H ALA 47 -7.206 0.814 -17.447 378 HA ALA 47 HA ALA 47 -5.749 1.620 -15.095 379 HB1 ALA 47 HB1 ALA 47 -6.792 3.372 -17.352 380 HB2 ALA 47 HB2 ALA 47 -5.379 3.641 -16.286 381 HB3 ALA 47 HB3 ALA 47 -5.371 2.342 -17.499 382 H GLU 48 H GLU 48 -8.947 2.707 -16.378 383 HA GLU 48 HA GLU 48 -9.632 4.329 -14.149 384 HB2 GLU 48 HB2 GLU 48 -11.790 4.402 -14.963 385 HB3 GLU 48 HB3 GLU 48 -10.803 4.222 -16.413 386 HG2 GLU 48 HG2 GLU 48 -11.306 1.768 -16.409 387 HG3 GLU 48 HG3 GLU 48 -12.263 1.940 -14.983 388 H GLU 49 H GLU 49 -9.447 0.871 -14.429 389 HA GLU 49 HA GLU 49 -10.896 0.330 -11.918 390 HB2 GLU 49 HB2 GLU 49 -10.136 -1.417 -13.962 391 HB3 GLU 49 HB3 GLU 49 -8.812 -1.584 -12.877 392 HG2 GLU 49 HG2 GLU 49 -10.672 -1.818 -10.990 393 HG3 GLU 49 HG3 GLU 49 -11.719 -2.213 -12.347 394 H ALA 50 H ALA 50 -7.440 0.450 -12.913 395 HA ALA 50 HA ALA 50 -6.273 -0.104 -10.391 396 HB1 ALA 50 HB1 ALA 50 -4.966 -0.150 -12.427 397 HB2 ALA 50 HB2 ALA 50 -5.298 1.585 -12.708 398 HB3 ALA 50 HB3 ALA 50 -4.298 1.086 -11.329 399 H GLU 51 H GLU 51 -7.590 2.987 -11.595 400 HA GLU 51 HA GLU 51 -6.434 4.444 -9.320 401 HB2 GLU 51 HB2 GLU 51 -7.482 6.376 -10.177 402 HB3 GLU 51 HB3 GLU 51 -6.946 5.419 -11.560 403 HG2 GLU 51 HG2 GLU 51 -8.970 5.602 -12.448 404 HG3 GLU 51 HG3 GLU 51 -9.606 4.594 -11.173 405 H ARG 52 H ARG 52 -9.035 2.427 -9.581 406 HA ARG 52 HA ARG 52 -10.670 3.570 -7.386 407 HB2 ARG 52 HB2 ARG 52 -10.902 0.713 -8.394 408 HB3 ARG 52 HB3 ARG 52 -12.118 1.694 -7.605 409 HG2 ARG 52 HG2 ARG 52 -10.979 2.054 -10.393 410 HG3 ARG 52 HG3 ARG 52 -12.603 1.483 -10.012 411 HD2 ARG 52 HD2 ARG 52 -11.495 4.269 -9.487 412 HD3 ARG 52 HD3 ARG 52 -12.595 3.837 -10.789 413 HE ARG 52 HE ARG 52 -14.056 3.071 -8.643 414 HH11 ARG 52 HH11 ARG 52 -15.453 4.287 -7.449 415 HH12 ARG 52 HH12 ARG 52 -15.200 6.006 -7.293 416 HH21 ARG 52 HH21 ARG 52 -12.350 6.115 -9.196 417 HH22 ARG 52 HH22 ARG 52 -13.502 7.013 -8.246 418 H ARG 53 H ARG 53 -8.363 0.961 -7.774 419 HA ARG 53 HA ARG 53 -8.260 0.460 -4.840 420 HB2 ARG 53 HB2 ARG 53 -6.993 -1.562 -5.461 421 HB3 ARG 53 HB3 ARG 53 -8.579 -1.524 -6.213 422 HG2 ARG 53 HG2 ARG 53 -6.616 -0.291 -8.011 423 HG3 ARG 53 HG3 ARG 53 -5.995 -1.823 -7.445 424 HD2 ARG 53 HD2 ARG 53 -8.745 -1.461 -8.684 425 HD3 ARG 53 HD3 ARG 53 -7.308 -2.043 -9.550 426 HE ARG 53 HE ARG 53 -7.276 -3.931 -7.803 427 HH11 ARG 53 HH11 ARG 53 -8.313 -5.609 -7.297 428 HH12 ARG 53 HH12 ARG 53 -10.052 -5.784 -7.505 429 HH21 ARG 53 HH21 ARG 53 -10.352 -2.575 -8.805 430 HH22 ARG 53 HH22 ARG 53 -11.216 -4.015 -8.304 431 H ASN 54 H ASN 54 -6.722 2.321 -7.035 432 HA ASN 54 HA ASN 54 -5.087 3.851 -6.784 433 HB2 ASN 54 HB2 ASN 54 -5.704 3.054 -3.977 434 HB3 ASN 54 HB3 ASN 54 -4.357 4.179 -4.274 435 HD21 ASN 54 HD21 ASN 54 -8.285 5.164 -5.176 436 HD22 ASN 54 HD22 ASN 54 -7.848 3.541 -4.730 437 H ALA 55 H ALA 55 -4.145 2.052 -8.030 438 HA ALA 55 HA ALA 55 -1.969 0.511 -7.099 439 HB1 ALA 55 HB1 ALA 55 -2.451 1.633 -9.878 440 HB2 ALA 55 HB2 ALA 55 -1.442 0.240 -9.422 441 HB3 ALA 55 HB3 ALA 55 -3.212 0.180 -9.159 442 H ASP 56 H ASP 56 -0.617 1.742 -5.745 443 HA ASP 56 HA ASP 56 0.556 4.181 -6.273 444 HB2 ASP 56 HB2 ASP 56 0.802 2.211 -4.301 445 HB3 ASP 56 HB3 ASP 56 2.419 2.301 -4.955 446 H ILE 57 H ILE 57 1.599 1.028 -7.483 447 HA ILE 57 HA ILE 57 3.424 2.407 -9.394 448 HB ILE 57 HB ILE 57 4.123 -0.357 -8.413 449 HG12 ILE 57 HG12 ILE 57 4.771 2.181 -6.867 450 HG13 ILE 57 HG13 ILE 57 3.899 0.767 -6.293 451 HG21 ILE 57 HG21 ILE 57 5.219 0.740 -10.414 452 HG22 ILE 57 HG22 ILE 57 5.826 2.000 -9.323 453 HG23 ILE 57 HG23 ILE 57 6.362 0.319 -9.150 454 HD11 ILE 57 HD11 ILE 57 6.860 0.895 -6.927 455 HD12 ILE 57 HD12 ILE 57 6.067 0.683 -5.350 456 HD13 ILE 57 HD13 ILE 57 5.969 -0.608 -6.561 457 H VAL 58 H VAL 58 2.935 2.009 -11.434 458 HA VAL 58 HA VAL 58 1.423 -0.428 -12.244 459 HB VAL 58 HB VAL 58 0.671 1.331 -14.111 460 HG11 VAL 58 HG11 VAL 58 -0.572 0.949 -11.391 461 HG12 VAL 58 HG12 VAL 58 -1.390 1.700 -12.781 462 HG13 VAL 58 HG13 VAL 58 -0.860 0.017 -12.897 463 HG21 VAL 58 HG21 VAL 58 1.932 3.209 -12.877 464 HG22 VAL 58 HG22 VAL 58 0.241 3.502 -13.259 465 HG23 VAL 58 HG23 VAL 58 0.761 3.067 -11.585 466 H VAL 59 H VAL 59 3.060 -1.640 -12.839 467 HA VAL 59 HA VAL 59 5.111 -0.828 -14.782 468 HB VAL 59 HB VAL 59 4.427 -3.529 -13.564 469 HG11 VAL 59 HG11 VAL 59 6.836 -2.650 -15.201 470 HG12 VAL 59 HG12 VAL 59 6.660 -4.221 -14.381 471 HG13 VAL 59 HG13 VAL 59 5.594 -3.808 -15.725 472 HG21 VAL 59 HG21 VAL 59 6.731 -1.639 -12.914 473 HG22 VAL 59 HG22 VAL 59 5.306 -1.904 -11.883 474 HG23 VAL 59 HG23 VAL 59 6.421 -3.229 -12.190 475 H ILE 60 H ILE 60 4.197 -0.346 -16.742 476 HA ILE 60 HA ILE 60 2.163 -2.089 -17.962 477 HB ILE 60 HB ILE 60 3.728 0.090 -19.309 478 HG12 ILE 60 HG12 ILE 60 2.702 1.127 -17.224 479 HG13 ILE 60 HG13 ILE 60 2.211 1.825 -18.744 480 HG21 ILE 60 HG21 ILE 60 1.038 -1.194 -19.856 481 HG22 ILE 60 HG22 ILE 60 1.578 0.306 -20.631 482 HG23 ILE 60 HG23 ILE 60 2.488 -1.190 -20.875 483 HD11 ILE 60 HD11 ILE 60 0.599 -0.140 -17.082 484 HD12 ILE 60 HD12 ILE 60 0.348 1.624 -17.233 485 HD13 ILE 60 HD13 ILE 60 0.076 0.585 -18.631 486 H VAL 61 H VAL 61 2.667 -3.581 -19.568 487 HA VAL 61 HA VAL 61 5.521 -4.032 -20.323 488 HB VAL 61 HB VAL 61 3.376 -6.139 -20.207 489 HG11 VAL 61 HG11 VAL 61 5.339 -7.662 -20.183 490 HG12 VAL 61 HG12 VAL 61 5.283 -6.681 -21.648 491 HG13 VAL 61 HG13 VAL 61 6.418 -6.258 -20.349 492 HG21 VAL 61 HG21 VAL 61 5.466 -5.544 -18.053 493 HG22 VAL 61 HG22 VAL 61 3.711 -5.318 -17.883 494 HG23 VAL 61 HG23 VAL 61 4.359 -6.936 -18.100 495 H GLY 62 H GLY 62 5.941 -3.823 -22.411 496 HA2 GLY 62 HA2 GLY 62 3.910 -4.394 -24.508 497 HA3 GLY 62 HA3 GLY 62 4.588 -2.767 -24.402 498 HA PRO 63 HA PRO 63 7.247 -5.549 -27.126 499 HB2 PRO 63 HB2 PRO 63 7.135 -3.977 -29.404 500 HB3 PRO 63 HB3 PRO 63 5.997 -5.304 -29.034 501 HG2 PRO 63 HG2 PRO 63 5.599 -2.341 -28.616 502 HG3 PRO 63 HG3 PRO 63 4.449 -3.538 -29.278 503 HD2 PRO 63 HD2 PRO 63 4.347 -2.701 -26.697 504 HD3 PRO 63 HD3 PRO 63 3.963 -4.389 -27.142 505 H SER 64 H SER 64 7.242 -2.060 -27.794 506 HA SER 64 HA SER 64 9.886 -1.633 -26.509 507 HB2 SER 64 HB2 SER 64 10.871 -0.759 -28.554 508 HB3 SER 64 HB3 SER 64 10.481 -2.485 -28.632 509 HG SER 64 HG SER 64 9.803 -1.423 -30.534 510 H GLY 65 H GLY 65 7.729 0.082 -28.819 511 HA2 GLY 65 HA2 GLY 65 6.665 2.126 -27.308 512 HA3 GLY 65 HA3 GLY 65 8.325 2.656 -27.541 513 H SER 66 H SER 66 7.639 1.061 -30.389 514 HA SER 66 HA SER 66 6.319 3.406 -31.698 515 HB2 SER 66 HB2 SER 66 8.830 2.007 -32.689 516 HB3 SER 66 HB3 SER 66 7.927 3.269 -33.539 517 HG SER 66 HG SER 66 8.448 4.694 -31.844 518 H GLY 67 H GLY 67 4.482 2.625 -32.400 519 HA2 GLY 67 HA2 GLY 67 3.861 1.079 -34.517 520 HA3 GLY 67 HA3 GLY 67 4.163 -0.163 -33.301 521 H LYS 68 H LYS 68 1.960 -0.784 -33.559 522 HA LYS 68 HA LYS 68 -0.306 0.792 -32.841 523 HB2 LYS 68 HB2 LYS 68 -1.539 -1.121 -33.065 524 HB3 LYS 68 HB3 LYS 68 -0.165 -1.451 -34.096 525 HG2 LYS 68 HG2 LYS 68 -0.760 -2.552 -31.327 526 HG3 LYS 68 HG3 LYS 68 -0.737 -3.429 -32.860 527 HD2 LYS 68 HD2 LYS 68 1.725 -3.023 -33.022 528 HD3 LYS 68 HD3 LYS 68 1.684 -2.271 -31.413 529 HE2 LYS 68 HE2 LYS 68 0.957 -4.302 -30.374 530 HE3 LYS 68 HE3 LYS 68 0.657 -5.084 -31.928 531 HZ1 LYS 68 HZ1 LYS 68 2.813 -5.673 -30.766 532 HZ2 LYS 68 HZ2 LYS 68 2.968 -5.239 -32.335 533 HZ3 LYS 68 HZ3 LYS 68 3.369 -4.200 -31.141 534 H SER 69 H SER 69 2.138 0.122 -30.743 535 HA SER 69 HA SER 69 0.902 -0.889 -28.379 536 HB2 SER 69 HB2 SER 69 3.100 -0.101 -27.361 537 HB3 SER 69 HB3 SER 69 3.218 -1.208 -28.726 538 HG SER 69 HG SER 69 4.634 0.638 -28.860 539 H THR 70 H THR 70 -0.135 1.794 -29.620 540 HA THR 70 HA THR 70 -0.031 3.911 -27.826 541 HB THR 70 HB THR 70 -2.706 3.077 -28.911 542 HG1 THR 70 HG1 THR 70 -2.044 3.899 -30.942 543 HG21 THR 70 HG21 THR 70 -1.197 5.729 -28.981 544 HG22 THR 70 HG22 THR 70 -2.902 5.459 -29.431 545 HG23 THR 70 HG23 THR 70 -2.392 5.279 -27.750 546 H LEU 71 H LEU 71 -1.991 0.916 -27.465 547 HA LEU 71 HA LEU 71 -3.627 1.753 -25.372 548 HB2 LEU 71 HB2 LEU 71 -2.528 -1.064 -25.575 549 HB3 LEU 71 HB3 LEU 71 -4.081 -0.518 -24.966 550 HG LEU 71 HG LEU 71 -4.806 -1.384 -26.873 551 HD11 LEU 71 HD11 LEU 71 -3.964 1.215 -28.222 552 HD12 LEU 71 HD12 LEU 71 -5.338 0.201 -28.578 553 HD13 LEU 71 HD13 LEU 71 -5.296 1.103 -27.049 554 HD21 LEU 71 HD21 LEU 71 -2.777 -2.281 -27.698 555 HD22 LEU 71 HD22 LEU 71 -3.600 -1.464 -29.029 556 HD23 LEU 71 HD23 LEU 71 -2.205 -0.691 -28.260 557 H ALA 72 H ALA 72 -0.277 0.705 -25.185 558 HA ALA 72 HA ALA 72 -0.063 0.531 -22.314 559 HB1 ALA 72 HB1 ALA 72 2.062 1.113 -24.435 560 HB2 ALA 72 HB2 ALA 72 2.381 0.711 -22.746 561 HB3 ALA 72 HB3 ALA 72 1.628 -0.489 -23.794 562 H LYS 73 H LYS 73 0.691 3.227 -24.619 563 HA LYS 73 HA LYS 73 1.218 5.073 -22.443 564 HB2 LYS 73 HB2 LYS 73 1.243 6.888 -23.975 565 HB3 LYS 73 HB3 LYS 73 2.236 5.571 -24.558 566 HG2 LYS 73 HG2 LYS 73 0.952 5.197 -26.399 567 HG3 LYS 73 HG3 LYS 73 -0.570 5.629 -25.596 568 HD2 LYS 73 HD2 LYS 73 1.408 7.782 -26.313 569 HD3 LYS 73 HD3 LYS 73 0.232 7.136 -27.470 570 HE2 LYS 73 HE2 LYS 73 -1.617 7.577 -25.853 571 HE3 LYS 73 HE3 LYS 73 -0.469 8.286 -24.734 572 HZ1 LYS 73 HZ1 LYS 73 0.018 9.989 -26.420 573 HZ2 LYS 73 HZ2 LYS 73 -1.017 9.307 -27.477 574 HZ3 LYS 73 HZ3 LYS 73 -1.587 9.984 -26.114 575 H ILE 74 H ILE 74 -1.795 4.183 -24.051 576 HA ILE 74 HA ILE 74 -3.381 6.313 -22.993 577 HB ILE 74 HB ILE 74 -4.118 3.481 -23.813 578 HG12 ILE 74 HG12 ILE 74 -4.729 6.156 -25.138 579 HG13 ILE 74 HG13 ILE 74 -3.308 5.229 -25.537 580 HG21 ILE 74 HG21 ILE 74 -6.014 5.752 -23.048 581 HG22 ILE 74 HG22 ILE 74 -6.494 4.213 -23.781 582 HG23 ILE 74 HG23 ILE 74 -5.816 4.231 -22.160 583 HD11 ILE 74 HD11 ILE 74 -4.961 4.765 -27.212 584 HD12 ILE 74 HD12 ILE 74 -4.803 3.296 -26.247 585 HD13 ILE 74 HD13 ILE 74 -6.187 4.378 -25.997 586 H VAL 75 H VAL 75 -2.788 2.959 -21.633 587 HA VAL 75 HA VAL 75 -4.064 3.414 -19.134 588 HB VAL 75 HB VAL 75 -1.624 1.717 -19.815 589 HG11 VAL 75 HG11 VAL 75 -1.836 2.093 -17.306 590 HG12 VAL 75 HG12 VAL 75 -3.471 1.404 -17.387 591 HG13 VAL 75 HG13 VAL 75 -2.075 0.411 -17.817 592 HG21 VAL 75 HG21 VAL 75 -3.531 0.982 -21.071 593 HG22 VAL 75 HG22 VAL 75 -3.149 -0.186 -19.827 594 HG23 VAL 75 HG23 VAL 75 -4.527 0.919 -19.576 595 H LYS 76 H LYS 76 -0.618 3.928 -20.029 596 HA LYS 76 HA LYS 76 0.225 5.004 -17.555 597 HB2 LYS 76 HB2 LYS 76 1.805 4.319 -19.228 598 HB3 LYS 76 HB3 LYS 76 1.239 5.528 -20.374 599 HG2 LYS 76 HG2 LYS 76 2.396 7.242 -19.406 600 HG3 LYS 76 HG3 LYS 76 2.153 6.657 -17.768 601 HD2 LYS 76 HD2 LYS 76 4.522 6.617 -18.349 602 HD3 LYS 76 HD3 LYS 76 3.888 5.028 -17.952 603 HE2 LYS 76 HE2 LYS 76 5.326 4.673 -19.727 604 HE3 LYS 76 HE3 LYS 76 3.705 4.492 -20.372 605 HZ1 LYS 76 HZ1 LYS 76 5.434 6.882 -20.722 606 HZ2 LYS 76 HZ2 LYS 76 5.131 5.720 -21.830 607 HZ3 LYS 76 HZ3 LYS 76 3.927 6.719 -21.357 608 H LYS 77 H LYS 77 -1.400 6.708 -20.189 609 HA LYS 77 HA LYS 77 -1.146 9.325 -18.920 610 HB2 LYS 77 HB2 LYS 77 -2.911 8.254 -21.154 611 HB3 LYS 77 HB3 LYS 77 -3.096 9.889 -20.535 612 HG2 LYS 77 HG2 LYS 77 -0.452 8.842 -21.630 613 HG3 LYS 77 HG3 LYS 77 -1.669 9.681 -22.603 614 HD2 LYS 77 HD2 LYS 77 -1.482 11.664 -21.128 615 HD3 LYS 77 HD3 LYS 77 -0.232 10.848 -20.174 616 HE2 LYS 77 HE2 LYS 77 1.181 10.628 -22.205 617 HE3 LYS 77 HE3 LYS 77 -0.062 11.441 -23.158 618 HZ1 LYS 77 HZ1 LYS 77 1.395 12.674 -20.885 619 HZ2 LYS 77 HZ2 LYS 77 1.694 12.977 -22.452 620 HZ3 LYS 77 HZ3 LYS 77 0.268 13.426 -21.798 621 H ILE 78 H ILE 78 -3.713 6.797 -18.820 622 HA ILE 78 HA ILE 78 -5.499 8.377 -17.213 623 HB ILE 78 HB ILE 78 -5.279 5.366 -17.430 624 HG12 ILE 78 HG12 ILE 78 -6.396 7.446 -19.168 625 HG13 ILE 78 HG13 ILE 78 -5.970 5.776 -19.469 626 HG21 ILE 78 HG21 ILE 78 -7.555 5.328 -16.432 627 HG22 ILE 78 HG22 ILE 78 -6.395 5.967 -15.300 628 HG23 ILE 78 HG23 ILE 78 -7.465 7.088 -16.184 629 HD11 ILE 78 HD11 ILE 78 -8.602 6.783 -18.348 630 HD12 ILE 78 HD12 ILE 78 -8.290 6.090 -19.952 631 HD13 ILE 78 HD13 ILE 78 -8.166 5.063 -18.501 632 H ILE 79 H ILE 79 -2.805 6.182 -16.233 633 HA ILE 79 HA ILE 79 -3.516 6.664 -13.427 634 HB ILE 79 HB ILE 79 -1.220 5.028 -14.514 635 HG12 ILE 79 HG12 ILE 79 -3.312 4.087 -15.359 636 HG13 ILE 79 HG13 ILE 79 -2.653 3.061 -14.099 637 HG21 ILE 79 HG21 ILE 79 -2.488 5.492 -11.791 638 HG22 ILE 79 HG22 ILE 79 -1.696 3.953 -12.129 639 HG23 ILE 79 HG23 ILE 79 -0.771 5.472 -12.277 640 HD11 ILE 79 HD11 ILE 79 -4.938 5.052 -13.711 641 HD12 ILE 79 HD12 ILE 79 -5.077 3.313 -13.926 642 HD13 ILE 79 HD13 ILE 79 -4.295 3.958 -12.463 643 H ALA 80 H ALA 80 -1.201 7.995 -15.695 644 HA ALA 80 HA ALA 80 0.592 9.135 -13.927 645 HB1 ALA 80 HB1 ALA 80 -0.497 10.236 -16.544 646 HB2 ALA 80 HB2 ALA 80 0.903 10.911 -15.679 647 HB3 ALA 80 HB3 ALA 80 0.986 9.265 -16.304 648 H ARG 81 H ARG 81 -2.705 10.275 -14.816 649 HA ARG 81 HA ARG 81 -2.471 12.593 -12.986 650 HB2 ARG 81 HB2 ARG 81 -4.473 13.418 -13.694 651 HB3 ARG 81 HB3 ARG 81 -3.764 12.808 -15.164 652 HG2 ARG 81 HG2 ARG 81 -5.741 11.079 -13.621 653 HG3 ARG 81 HG3 ARG 81 -6.335 12.436 -14.553 654 HD2 ARG 81 HD2 ARG 81 -4.491 10.438 -15.837 655 HD3 ARG 81 HD3 ARG 81 -6.180 10.042 -15.579 656 HE ARG 81 HE ARG 81 -6.924 11.781 -17.008 657 HH11 ARG 81 HH11 ARG 81 -3.482 11.372 -17.404 658 HH12 ARG 81 HH12 ARG 81 -3.371 12.667 -18.574 659 HH21 ARG 81 HH21 ARG 81 -6.757 13.255 -18.621 660 HH22 ARG 81 HH22 ARG 81 -5.200 13.613 -19.325 661 H ALA 82 H ALA 82 -3.703 9.329 -12.836 662 HA ALA 82 HA ALA 82 -5.532 9.651 -10.696 663 HB1 ALA 82 HB1 ALA 82 -3.729 7.264 -11.265 664 HB2 ALA 82 HB2 ALA 82 -5.261 7.245 -10.379 665 HB3 ALA 82 HB3 ALA 82 -5.259 7.602 -12.124 666 H GLY 83 H GLY 83 -2.063 9.680 -10.650 667 HA2 GLY 83 HA2 GLY 83 -1.136 11.012 -8.790 668 HA3 GLY 83 HA3 GLY 83 -2.132 10.082 -7.672 669 H ALA 84 H ALA 84 -0.516 8.295 -10.187 670 HA ALA 84 HA ALA 84 1.411 7.154 -8.195 671 HB1 ALA 84 HB1 ALA 84 0.903 5.012 -9.446 672 HB2 ALA 84 HB2 ALA 84 -0.430 5.686 -8.479 673 HB3 ALA 84 HB3 ALA 84 -0.411 5.896 -10.248 674 H LYS 85 H LYS 85 2.945 5.596 -9.499 675 HA LYS 85 HA LYS 85 4.114 7.088 -11.806 676 HB2 LYS 85 HB2 LYS 85 6.282 6.179 -11.157 677 HB3 LYS 85 HB3 LYS 85 5.553 7.144 -9.855 678 HG2 LYS 85 HG2 LYS 85 4.768 5.016 -8.781 679 HG3 LYS 85 HG3 LYS 85 5.474 4.101 -10.065 680 HD2 LYS 85 HD2 LYS 85 6.851 4.072 -8.077 681 HD3 LYS 85 HD3 LYS 85 7.756 4.832 -9.385 682 HE2 LYS 85 HE2 LYS 85 6.282 6.489 -7.297 683 HE3 LYS 85 HE3 LYS 85 7.865 5.799 -6.979 684 HZ1 LYS 85 HZ1 LYS 85 7.261 7.821 -9.046 685 HZ2 LYS 85 HZ2 LYS 85 8.276 7.928 -7.775 686 HZ3 LYS 85 HZ3 LYS 85 8.666 6.979 -9.016 687 H THR 86 H THR 86 4.212 6.203 -13.595 688 HA THR 86 HA THR 86 3.644 3.306 -13.970 689 HB THR 86 HB THR 86 2.916 5.376 -16.057 690 HG1 THR 86 HG1 THR 86 1.163 6.101 -15.053 691 HG21 THR 86 HG21 THR 86 1.842 2.727 -15.318 692 HG22 THR 86 HG22 THR 86 0.661 3.928 -15.827 693 HG23 THR 86 HG23 THR 86 2.032 3.522 -16.891 694 H ILE 87 H ILE 87 4.759 2.148 -15.379 695 HA ILE 87 HA ILE 87 6.859 3.515 -17.029 696 HB ILE 87 HB ILE 87 8.471 1.723 -16.262 697 HG12 ILE 87 HG12 ILE 87 6.839 0.216 -15.242 698 HG13 ILE 87 HG13 ILE 87 8.294 0.545 -14.298 699 HG21 ILE 87 HG21 ILE 87 7.655 3.870 -14.307 700 HG22 ILE 87 HG22 ILE 87 9.180 2.946 -14.278 701 HG23 ILE 87 HG23 ILE 87 8.795 3.997 -15.655 702 HD11 ILE 87 HD11 ILE 87 5.456 1.031 -13.702 703 HD12 ILE 87 HD12 ILE 87 6.796 0.678 -12.604 704 HD13 ILE 87 HD13 ILE 87 6.522 2.351 -13.201 705 H GLU 88 H GLU 88 7.986 1.980 -18.469 706 HA GLU 88 HA GLU 88 6.078 -0.040 -19.599 707 HB2 GLU 88 HB2 GLU 88 7.503 2.208 -21.053 708 HB3 GLU 88 HB3 GLU 88 6.918 0.758 -21.884 709 HG2 GLU 88 HG2 GLU 88 4.630 1.194 -21.157 710 HG3 GLU 88 HG3 GLU 88 5.153 2.642 -20.301 711 H VAL 89 H VAL 89 7.253 -1.727 -18.701 712 HA VAL 89 HA VAL 89 10.086 -2.144 -19.445 713 HB VAL 89 HB VAL 89 10.075 -4.108 -18.160 714 HG11 VAL 89 HG11 VAL 89 8.339 -2.027 -16.736 715 HG12 VAL 89 HG12 VAL 89 9.098 -3.405 -15.947 716 HG13 VAL 89 HG13 VAL 89 10.108 -2.163 -16.718 717 HG21 VAL 89 HG21 VAL 89 7.049 -3.927 -17.990 718 HG22 VAL 89 HG22 VAL 89 7.974 -5.149 -18.899 719 HG23 VAL 89 HG23 VAL 89 8.064 -5.108 -17.136 720 H THR 90 H THR 90 10.697 -4.129 -20.709 721 HA THR 90 HA THR 90 8.725 -4.724 -22.889 722 HB THR 90 HB THR 90 10.623 -4.327 -24.509 723 HG1 THR 90 HG1 THR 90 11.770 -2.740 -22.526 724 HG21 THR 90 HG21 THR 90 8.918 -2.639 -24.438 725 HG22 THR 90 HG22 THR 90 9.622 -1.888 -22.990 726 HG23 THR 90 HG23 THR 90 10.506 -1.858 -24.533 727 H THR 91 H THR 91 9.542 -6.296 -24.472 728 HA THR 91 HA THR 91 10.904 -8.608 -23.286 729 HB THR 91 HB THR 91 10.493 -9.590 -25.573 730 HG1 THR 91 HG1 THR 91 9.167 -8.417 -26.941 731 HG21 THR 91 HG21 THR 91 8.886 -9.881 -23.702 732 HG22 THR 91 HG22 THR 91 8.046 -8.395 -24.191 733 HG23 THR 91 HG23 THR 91 8.079 -9.804 -25.274 734 H GLU 92 H GLU 92 12.365 -5.971 -23.758 735 HA GLU 92 HA GLU 92 14.632 -6.884 -25.475 736 HB2 GLU 92 HB2 GLU 92 13.184 -4.205 -25.504 737 HB3 GLU 92 HB3 GLU 92 14.730 -4.476 -26.284 738 HG2 GLU 92 HG2 GLU 92 12.126 -5.889 -26.968 739 HG3 GLU 92 HG3 GLU 92 12.853 -4.568 -27.864 740 H GLU 93 H GLU 93 16.462 -5.091 -25.218 741 HA GLU 93 HA GLU 93 17.598 -5.551 -22.696 742 HB2 GLU 93 HB2 GLU 93 18.730 -5.059 -24.874 743 HB3 GLU 93 HB3 GLU 93 18.333 -3.350 -24.664 744 HG2 GLU 93 HG2 GLU 93 19.700 -3.272 -22.615 745 HG3 GLU 93 HG3 GLU 93 19.997 -5.007 -22.723 746 H GLU 94 H GLU 94 15.552 -2.875 -23.617 747 HA GLU 94 HA GLU 94 16.146 -1.032 -21.500 748 HB2 GLU 94 HB2 GLU 94 13.768 -1.464 -23.347 749 HB3 GLU 94 HB3 GLU 94 13.764 -0.220 -22.104 750 HG2 GLU 94 HG2 GLU 94 14.395 0.780 -24.185 751 HG3 GLU 94 HG3 GLU 94 15.736 0.836 -23.053 752 H LEU 95 H LEU 95 14.531 -4.078 -21.279 753 HA LEU 95 HA LEU 95 12.488 -3.772 -19.480 754 HB2 LEU 95 HB2 LEU 95 13.278 -5.829 -20.596 755 HB3 LEU 95 HB3 LEU 95 14.612 -5.957 -19.464 756 HG LEU 95 HG LEU 95 11.643 -6.141 -18.761 757 HD11 LEU 95 HD11 LEU 95 12.480 -8.025 -20.171 758 HD12 LEU 95 HD12 LEU 95 13.768 -8.317 -18.990 759 HD13 LEU 95 HD13 LEU 95 12.062 -8.553 -18.539 760 HD21 LEU 95 HD21 LEU 95 14.119 -6.715 -17.070 761 HD22 LEU 95 HD22 LEU 95 12.854 -5.507 -16.736 762 HD23 LEU 95 HD23 LEU 95 12.466 -7.216 -16.641 763 H ARG 96 H ARG 96 15.907 -4.280 -18.422 764 HA ARG 96 HA ARG 96 15.247 -3.978 -15.658 765 HB2 ARG 96 HB2 ARG 96 17.528 -4.116 -15.156 766 HB3 ARG 96 HB3 ARG 96 17.231 -5.194 -16.510 767 HG2 ARG 96 HG2 ARG 96 18.211 -3.457 -18.060 768 HG3 ARG 96 HG3 ARG 96 18.555 -2.441 -16.645 769 HD2 ARG 96 HD2 ARG 96 19.876 -4.373 -15.680 770 HD3 ARG 96 HD3 ARG 96 19.696 -5.213 -17.209 771 HE ARG 96 HE ARG 96 21.445 -2.958 -16.567 772 HH11 ARG 96 HH11 ARG 96 19.993 -4.598 -19.314 773 HH12 ARG 96 HH12 ARG 96 21.276 -4.093 -20.392 774 HH21 ARG 96 HH21 ARG 96 23.006 -2.333 -17.995 775 HH22 ARG 96 HH22 ARG 96 22.912 -2.816 -19.667 776 H LYS 97 H LYS 97 16.248 -1.558 -17.998 777 HA LYS 97 HA LYS 97 16.651 0.627 -16.123 778 HB2 LYS 97 HB2 LYS 97 15.923 0.619 -19.090 779 HB3 LYS 97 HB3 LYS 97 16.340 2.058 -18.170 780 HG2 LYS 97 HG2 LYS 97 18.209 -0.306 -18.638 781 HG3 LYS 97 HG3 LYS 97 18.201 1.207 -19.545 782 HD2 LYS 97 HD2 LYS 97 18.666 2.458 -17.412 783 HD3 LYS 97 HD3 LYS 97 18.850 0.896 -16.583 784 HE2 LYS 97 HE2 LYS 97 20.662 0.270 -18.137 785 HE3 LYS 97 HE3 LYS 97 20.456 1.780 -19.017 786 HZ1 LYS 97 HZ1 LYS 97 21.291 1.591 -16.174 787 HZ2 LYS 97 HZ2 LYS 97 22.279 1.936 -17.422 788 HZ3 LYS 97 HZ3 LYS 97 21.104 2.981 -17.003 789 H ALA 98 H ALA 98 13.823 -0.347 -18.094 790 HA ALA 98 HA ALA 98 12.045 1.649 -17.124 791 HB1 ALA 98 HB1 ALA 98 11.545 0.348 -19.111 792 HB2 ALA 98 HB2 ALA 98 11.575 -1.159 -18.152 793 HB3 ALA 98 HB3 ALA 98 10.297 0.035 -17.872 794 H VAL 99 H VAL 99 12.601 -1.710 -15.931 795 HA VAL 99 HA VAL 99 10.682 -1.619 -13.854 796 HB VAL 99 HB VAL 99 13.319 -3.151 -14.073 797 HG11 VAL 99 HG11 VAL 99 11.135 -3.591 -11.996 798 HG12 VAL 99 HG12 VAL 99 12.532 -4.649 -12.297 799 HG13 VAL 99 HG13 VAL 99 12.806 -3.032 -11.678 800 HG21 VAL 99 HG21 VAL 99 11.922 -5.090 -14.545 801 HG22 VAL 99 HG22 VAL 99 10.441 -4.147 -14.276 802 HG23 VAL 99 HG23 VAL 99 11.488 -3.801 -15.672 803 H ALA 100 H ALA 100 14.143 -0.840 -13.845 804 HA ALA 100 HA ALA 100 14.380 -0.112 -11.118 805 HB1 ALA 100 HB1 ALA 100 15.963 0.925 -13.505 806 HB2 ALA 100 HB2 ALA 100 16.451 1.046 -11.798 807 HB3 ALA 100 HB3 ALA 100 16.319 -0.542 -12.569 808 H LYS 101 H LYS 101 13.502 1.942 -13.903 809 HA LYS 101 HA LYS 101 13.516 4.455 -12.799 810 HB2 LYS 101 HB2 LYS 101 13.177 3.662 -15.220 811 HB3 LYS 101 HB3 LYS 101 11.486 3.412 -14.827 812 HG2 LYS 101 HG2 LYS 101 11.789 5.499 -16.001 813 HG3 LYS 101 HG3 LYS 101 11.255 5.855 -14.354 814 HD2 LYS 101 HD2 LYS 101 13.535 6.463 -13.698 815 HD3 LYS 101 HD3 LYS 101 14.172 5.881 -15.252 816 HE2 LYS 101 HE2 LYS 101 12.820 7.627 -16.424 817 HE3 LYS 101 HE3 LYS 101 12.217 8.199 -14.870 818 HZ1 LYS 101 HZ1 LYS 101 15.066 8.221 -15.708 819 HZ2 LYS 101 HZ2 LYS 101 14.099 9.525 -15.639 820 HZ3 LYS 101 HZ3 LYS 101 14.520 8.755 -14.264 821 H ALA 102 H ALA 102 11.103 2.038 -12.089 822 HA ALA 102 HA ALA 102 9.883 3.983 -10.159 823 HB1 ALA 102 HB1 ALA 102 8.516 2.174 -12.138 824 HB2 ALA 102 HB2 ALA 102 7.649 2.974 -10.817 825 HB3 ALA 102 HB3 ALA 102 8.420 3.966 -12.081 826 H ARG 103 H ARG 103 9.835 0.445 -11.071 827 HA ARG 103 HA ARG 103 8.917 -0.436 -8.504 828 HB2 ARG 103 HB2 ARG 103 9.229 -1.600 -10.949 829 HB3 ARG 103 HB3 ARG 103 10.681 -2.201 -10.184 830 HG2 ARG 103 HG2 ARG 103 7.801 -2.605 -9.249 831 HG3 ARG 103 HG3 ARG 103 8.830 -3.784 -10.057 832 HD2 ARG 103 HD2 ARG 103 10.424 -3.588 -8.070 833 HD3 ARG 103 HD3 ARG 103 9.156 -2.651 -7.259 834 HE ARG 103 HE ARG 103 8.093 -5.139 -8.245 835 HH11 ARG 103 HH11 ARG 103 10.099 -3.936 -5.643 836 HH12 ARG 103 HH12 ARG 103 9.739 -5.297 -4.599 837 HH21 ARG 103 HH21 ARG 103 7.694 -6.864 -6.883 838 HH22 ARG 103 HH22 ARG 103 8.421 -6.907 -5.295 839 H GLY 104 H GLY 104 12.043 0.500 -9.669 840 HA2 GLY 104 HA2 GLY 104 13.448 -0.292 -7.137 841 HA3 GLY 104 HA3 GLY 104 14.190 0.570 -8.491 842 H SER 105 H SER 105 12.819 2.746 -8.973 843 HA SER 105 HA SER 105 13.894 4.475 -7.110 844 HB2 SER 105 HB2 SER 105 11.626 5.050 -9.051 845 HB3 SER 105 HB3 SER 105 12.578 6.272 -8.196 846 HG SER 105 HG SER 105 14.428 5.487 -9.253 847 H TRP 106 H TRP 106 10.483 3.359 -7.175 848 HA TRP 106 HA TRP 106 9.322 5.044 -5.296 849 HB2 TRP 106 HB2 TRP 106 8.313 3.186 -6.704 850 HB3 TRP 106 HB3 TRP 106 8.887 2.037 -5.525 851 HD1 TRP 106 HD1 TRP 106 6.024 4.355 -6.207 852 HE1 TRP 106 HE1 TRP 106 4.431 4.500 -4.293 853 HE3 TRP 106 HE3 TRP 106 8.671 1.631 -2.768 854 HZ2 TRP 106 HZ2 TRP 106 4.468 3.932 -1.415 855 HZ3 TRP 106 HZ3 TRP 106 7.912 1.497 -0.439 856 HH2 TRP 106 HH2 TRP 106 5.815 2.665 0.282 857 H SER 107 H SER 107 11.083 1.997 -4.525 858 HA SER 107 HA SER 107 10.747 2.330 -1.677 859 HB2 SER 107 HB2 SER 107 12.598 0.518 -3.251 860 HB3 SER 107 HB3 SER 107 12.287 0.424 -1.504 861 HG SER 107 HG SER 107 10.970 -1.016 -2.709 862 H LEU 108 H LEU 108 12.818 3.766 -3.947 863 HA LEU 108 HA LEU 108 14.991 4.396 -2.089 864 HB2 LEU 108 HB2 LEU 108 14.603 4.035 -4.998 865 HB3 LEU 108 HB3 LEU 108 15.310 5.594 -4.669 866 HG LEU 108 HG LEU 108 17.153 4.454 -3.401 867 HD11 LEU 108 HD11 LEU 108 15.725 1.894 -4.279 868 HD12 LEU 108 HD12 LEU 108 17.367 1.967 -3.605 869 HD13 LEU 108 HD13 LEU 108 15.987 2.424 -2.600 870 HD21 LEU 108 HD21 LEU 108 17.336 4.870 -5.843 871 HD22 LEU 108 HD22 LEU 108 18.175 3.374 -5.384 872 HD23 LEU 108 HD23 LEU 108 16.571 3.300 -6.162 873 H GLU 109 H GLU 109 12.112 5.864 -3.442 874 HA GLU 109 HA GLU 109 12.894 8.635 -2.944 875 HB2 GLU 109 HB2 GLU 109 10.113 7.500 -3.396 876 HB3 GLU 109 HB3 GLU 109 10.604 9.190 -3.502 877 HG2 GLU 109 HG2 GLU 109 12.288 8.035 -5.358 878 HG3 GLU 109 HG3 GLU 109 10.878 6.985 -5.460 879 H HIS 110 H HIS 110 10.642 6.355 -1.346 880 HA HIS 110 HA HIS 110 9.789 8.275 0.638 881 HB2 HIS 110 HB2 HIS 110 8.274 6.688 1.345 882 HB3 HIS 110 HB3 HIS 110 8.470 6.298 -0.358 883 HD2 HIS 110 HD2 HIS 110 10.629 4.297 -0.661 884 HE1 HIS 110 HE1 HIS 110 9.445 2.277 2.902 885 HE2 HIS 110 HE2 HIS 110 10.828 2.093 0.775 886 H HIS 111 H HIS 111 12.649 6.682 0.492 887 HA HIS 111 HA HIS 111 12.977 6.390 3.456 888 HB2 HIS 111 HB2 HIS 111 12.579 4.264 2.014 889 HB3 HIS 111 HB3 HIS 111 14.228 4.507 1.444 890 HD2 HIS 111 HD2 HIS 111 12.241 4.010 4.768 891 HE1 HIS 111 HE1 HIS 111 16.204 2.621 5.473 892 HE2 HIS 111 HE2 HIS 111 13.883 2.862 6.478 893 H HIS 112 H HIS 112 15.597 5.773 3.726 894 HA HIS 112 HA HIS 112 17.176 7.942 2.492 895 HB2 HIS 112 HB2 HIS 112 15.679 8.350 4.920 896 HB3 HIS 112 HB3 HIS 112 17.360 8.213 5.381 897 HD2 HIS 112 HD2 HIS 112 14.920 10.692 4.145 898 HE1 HIS 112 HE1 HIS 112 18.684 12.372 3.083 899 HE2 HIS 112 HE2 HIS 112 16.200 12.847 3.332 900 H HIS 113 H HIS 113 19.375 8.100 3.350 901 HA HIS 113 HA HIS 113 20.679 5.517 3.537 902 HB2 HIS 113 HB2 HIS 113 21.764 8.357 3.634 903 HB3 HIS 113 HB3 HIS 113 22.740 6.895 3.497 904 HD2 HIS 113 HD2 HIS 113 22.571 5.466 1.184 905 HE1 HIS 113 HE1 HIS 113 20.610 8.476 -1.105 906 HE2 HIS 113 HE2 HIS 113 21.822 6.245 -1.219 907 H HIS 114 H HIS 114 19.031 5.777 5.750 908 HA HIS 114 HA HIS 114 20.436 6.682 8.137 909 HB2 HIS 114 HB2 HIS 114 17.933 6.834 7.587 910 HB3 HIS 114 HB3 HIS 114 17.839 5.115 7.942 911 HD2 HIS 114 HD2 HIS 114 16.912 4.782 10.321 912 HE1 HIS 114 HE1 HIS 114 18.565 8.176 12.299 913 HE2 HIS 114 HE2 HIS 114 17.102 6.112 12.586 914 H HIS 115 H HIS 115 21.528 4.361 6.538 915 HA HIS 115 HA HIS 115 21.325 1.844 7.747 916 HB2 HIS 115 HB2 HIS 115 23.718 3.145 6.378 917 HB3 HIS 115 HB3 HIS 115 23.496 1.420 6.630 918 HD2 HIS 115 HD2 HIS 115 21.712 0.140 5.080 919 HE1 HIS 115 HE1 HIS 115 20.994 3.321 2.344 920 HE2 HIS 115 HE2 HIS 115 20.666 0.837 2.761 Start of MODEL 19 1 H1 MET 1 H1 MET 1 0.935 -0.635 0.633 2 H2 MET 1 H2 MET 1 2.182 0.407 0.845 3 H3 MET 1 H3 MET 1 2.415 -1.007 0.037 4 HA MET 1 HA MET 1 0.712 1.212 -0.827 5 HB2 MET 1 HB2 MET 1 2.286 1.831 -2.445 6 HB3 MET 1 HB3 MET 1 3.180 1.636 -0.958 7 HG2 MET 1 HG2 MET 1 3.142 -0.295 -3.325 8 HG3 MET 1 HG3 MET 1 4.424 0.815 -2.898 9 HE1 MET 1 HE1 MET 1 5.031 -2.104 -3.614 10 HE2 MET 1 HE2 MET 1 6.265 -0.949 -3.059 11 HE3 MET 1 HE3 MET 1 6.171 -2.571 -2.329 12 H ARG 2 H ARG 2 0.850 0.652 -3.632 13 HA ARG 2 HA ARG 2 -0.125 -2.139 -3.875 14 HB2 ARG 2 HB2 ARG 2 -2.065 -0.521 -3.653 15 HB3 ARG 2 HB3 ARG 2 -1.525 0.227 -5.144 16 HG2 ARG 2 HG2 ARG 2 -1.937 -1.743 -6.461 17 HG3 ARG 2 HG3 ARG 2 -1.929 -2.796 -5.054 18 HD2 ARG 2 HD2 ARG 2 -4.112 -0.864 -5.841 19 HD3 ARG 2 HD3 ARG 2 -4.171 -2.619 -5.976 20 HE ARG 2 HE ARG 2 -4.713 -1.036 -3.631 21 HH11 ARG 2 HH11 ARG 2 -3.582 -4.264 -4.509 22 HH12 ARG 2 HH12 ARG 2 -3.387 -4.721 -2.849 23 HH21 ARG 2 HH21 ARG 2 -4.702 -1.844 -1.522 24 HH22 ARG 2 HH22 ARG 2 -4.222 -3.506 -1.247 25 H VAL 3 H VAL 3 0.125 -3.129 -5.758 26 HA VAL 3 HA VAL 3 1.897 -1.889 -7.820 27 HB VAL 3 HB VAL 3 1.981 -4.693 -6.628 28 HG11 VAL 3 HG11 VAL 3 3.738 -3.463 -8.812 29 HG12 VAL 3 HG12 VAL 3 4.021 -5.023 -8.017 30 HG13 VAL 3 HG13 VAL 3 2.591 -4.802 -9.029 31 HG21 VAL 3 HG21 VAL 3 3.012 -3.034 -5.132 32 HG22 VAL 3 HG22 VAL 3 4.246 -4.036 -5.878 33 HG23 VAL 3 HG23 VAL 3 3.971 -2.390 -6.488 34 H ILE 4 H ILE 4 1.383 -2.244 -9.907 35 HA ILE 4 HA ILE 4 -0.634 -4.311 -10.664 36 HB ILE 4 HB ILE 4 -0.760 -1.367 -11.228 37 HG12 ILE 4 HG12 ILE 4 -2.467 -3.560 -9.954 38 HG13 ILE 4 HG13 ILE 4 -2.028 -2.004 -9.290 39 HG21 ILE 4 HG21 ILE 4 -2.244 -3.495 -12.800 40 HG22 ILE 4 HG22 ILE 4 -2.467 -1.736 -12.913 41 HG23 ILE 4 HG23 ILE 4 -0.932 -2.417 -13.404 42 HD11 ILE 4 HD11 ILE 4 -4.167 -2.608 -11.371 43 HD12 ILE 4 HD12 ILE 4 -4.372 -1.947 -9.732 44 HD13 ILE 4 HD13 ILE 4 -3.583 -0.975 -11.010 45 H VAL 5 H VAL 5 -0.292 -5.230 -12.531 46 HA VAL 5 HA VAL 5 2.014 -4.348 -14.216 47 HB VAL 5 HB VAL 5 1.171 -7.200 -13.643 48 HG11 VAL 5 HG11 VAL 5 2.153 -6.846 -15.937 49 HG12 VAL 5 HG12 VAL 5 3.639 -6.247 -15.165 50 HG13 VAL 5 HG13 VAL 5 3.103 -7.914 -14.898 51 HG21 VAL 5 HG21 VAL 5 3.345 -7.514 -12.525 52 HG22 VAL 5 HG22 VAL 5 3.689 -5.797 -12.654 53 HG23 VAL 5 HG23 VAL 5 2.323 -6.351 -11.667 54 H VAL 6 H VAL 6 1.072 -3.533 -16.033 55 HA VAL 6 HA VAL 6 -1.341 -4.928 -17.160 56 HB VAL 6 HB VAL 6 -0.325 -2.175 -17.886 57 HG11 VAL 6 HG11 VAL 6 -2.619 -1.983 -18.881 58 HG12 VAL 6 HG12 VAL 6 -1.617 -3.171 -19.686 59 HG13 VAL 6 HG13 VAL 6 -2.881 -3.710 -18.549 60 HG21 VAL 6 HG21 VAL 6 -2.426 -1.415 -16.639 61 HG22 VAL 6 HG22 VAL 6 -2.556 -3.060 -15.986 62 HG23 VAL 6 HG23 VAL 6 -1.138 -2.039 -15.611 63 H ILE 7 H ILE 7 -1.256 -5.768 -19.221 64 HA ILE 7 HA ILE 7 1.321 -5.532 -20.719 65 HB ILE 7 HB ILE 7 -0.242 -8.114 -20.424 66 HG12 ILE 7 HG12 ILE 7 2.022 -8.824 -19.265 67 HG13 ILE 7 HG13 ILE 7 2.168 -7.104 -18.895 68 HG21 ILE 7 HG21 ILE 7 2.318 -7.381 -21.877 69 HG22 ILE 7 HG22 ILE 7 1.915 -9.041 -21.437 70 HG23 ILE 7 HG23 ILE 7 0.839 -8.156 -22.498 71 HD11 ILE 7 HD11 ILE 7 -0.300 -8.776 -18.169 72 HD12 ILE 7 HD12 ILE 7 1.110 -8.646 -17.106 73 HD13 ILE 7 HD13 ILE 7 0.175 -7.200 -17.517 74 H VAL 8 H VAL 8 1.200 -5.370 -22.943 75 HA VAL 8 HA VAL 8 -1.399 -4.956 -24.213 76 HB VAL 8 HB VAL 8 1.407 -5.078 -25.392 77 HG11 VAL 8 HG11 VAL 8 -0.261 -5.589 -27.140 78 HG12 VAL 8 HG12 VAL 8 -1.234 -4.186 -26.651 79 HG13 VAL 8 HG13 VAL 8 0.386 -3.957 -27.360 80 HG21 VAL 8 HG21 VAL 8 1.158 -2.624 -25.526 81 HG22 VAL 8 HG22 VAL 8 -0.430 -2.724 -24.734 82 HG23 VAL 8 HG23 VAL 8 1.040 -3.165 -23.850 83 H GLY 9 H GLY 9 -2.661 -6.719 -24.363 84 HA2 GLY 9 HA2 GLY 9 -2.099 -8.893 -26.081 85 HA3 GLY 9 HA3 GLY 9 -1.849 -9.433 -24.414 86 HA PRO 10 HA PRO 10 -2.878 -11.655 -25.004 87 HB2 PRO 10 HB2 PRO 10 -4.938 -12.619 -26.921 88 HB3 PRO 10 HB3 PRO 10 -4.247 -13.434 -25.493 89 HG2 PRO 10 HG2 PRO 10 -6.783 -12.395 -25.615 90 HG3 PRO 10 HG3 PRO 10 -5.837 -12.480 -24.084 91 HD2 PRO 10 HD2 PRO 10 -6.348 -10.105 -25.862 92 HD3 PRO 10 HD3 PRO 10 -6.204 -10.184 -24.088 93 H SER 11 H SER 11 -1.659 -12.541 -26.785 94 HA SER 11 HA SER 11 -0.531 -12.576 -28.743 95 HB2 SER 11 HB2 SER 11 -3.369 -12.012 -29.604 96 HB3 SER 11 HB3 SER 11 -2.085 -12.398 -30.778 97 HG SER 11 HG SER 11 -3.292 -14.232 -29.962 98 H GLY 12 H GLY 12 -1.175 -9.616 -27.635 99 HA2 GLY 12 HA2 GLY 12 -0.702 -7.994 -30.018 100 HA3 GLY 12 HA3 GLY 12 -1.020 -7.436 -28.379 101 H ALA 13 H ALA 13 1.318 -9.092 -27.350 102 HA ALA 13 HA ALA 13 3.667 -7.761 -28.639 103 HB1 ALA 13 HB1 ALA 13 3.131 -7.951 -25.646 104 HB2 ALA 13 HB2 ALA 13 4.547 -7.214 -26.422 105 HB3 ALA 13 HB3 ALA 13 2.941 -6.485 -26.625 106 H GLY 14 H GLY 14 2.293 -10.675 -27.939 107 HA2 GLY 14 HA2 GLY 14 4.244 -12.380 -28.735 108 HA3 GLY 14 HA3 GLY 14 4.588 -12.222 -27.010 109 H LYS 15 H LYS 15 4.019 -14.669 -27.665 110 HA LYS 15 HA LYS 15 1.112 -15.199 -27.131 111 HB2 LYS 15 HB2 LYS 15 3.255 -17.004 -28.317 112 HB3 LYS 15 HB3 LYS 15 1.566 -17.432 -28.095 113 HG2 LYS 15 HG2 LYS 15 2.617 -15.282 -29.979 114 HG3 LYS 15 HG3 LYS 15 2.032 -16.888 -30.415 115 HD2 LYS 15 HD2 LYS 15 -0.239 -16.275 -29.504 116 HD3 LYS 15 HD3 LYS 15 0.378 -14.660 -29.155 117 HE2 LYS 15 HE2 LYS 15 -0.807 -14.496 -31.192 118 HE3 LYS 15 HE3 LYS 15 0.903 -14.354 -31.580 119 HZ1 LYS 15 HZ1 LYS 15 -0.711 -16.829 -31.905 120 HZ2 LYS 15 HZ2 LYS 15 -0.282 -15.836 -33.118 121 HZ3 LYS 15 HZ3 LYS 15 0.865 -16.672 -32.321 122 H THR 16 H THR 16 4.113 -15.392 -25.550 123 HA THR 16 HA THR 16 2.860 -16.970 -23.320 124 HB THR 16 HB THR 16 5.751 -17.302 -24.169 125 HG1 THR 16 HG1 THR 16 3.556 -18.975 -24.764 126 HG21 THR 16 HG21 THR 16 3.930 -18.944 -22.355 127 HG22 THR 16 HG22 THR 16 5.551 -19.449 -22.899 128 HG23 THR 16 HG23 THR 16 5.370 -18.026 -21.872 129 H THR 17 H THR 17 4.944 -14.284 -24.240 130 HA THR 17 HA THR 17 6.190 -13.708 -21.813 131 HB THR 17 HB THR 17 6.668 -12.537 -23.894 132 HG1 THR 17 HG1 THR 17 6.980 -10.563 -22.917 133 HG21 THR 17 HG21 THR 17 4.273 -10.737 -23.411 134 HG22 THR 17 HG22 THR 17 5.338 -10.821 -24.826 135 HG23 THR 17 HG23 THR 17 4.171 -12.125 -24.513 136 H LEU 18 H LEU 18 2.949 -12.451 -22.774 137 HA LEU 18 HA LEU 18 2.321 -11.162 -20.340 138 HB2 LEU 18 HB2 LEU 18 0.064 -11.124 -21.192 139 HB3 LEU 18 HB3 LEU 18 1.190 -10.878 -22.508 140 HG LEU 18 HG LEU 18 0.882 -13.532 -22.857 141 HD11 LEU 18 HD11 LEU 18 -1.807 -12.655 -21.693 142 HD12 LEU 18 HD12 LEU 18 -1.465 -14.180 -22.520 143 HD13 LEU 18 HD13 LEU 18 -0.722 -13.851 -20.953 144 HD21 LEU 18 HD21 LEU 18 -0.884 -12.993 -24.499 145 HD22 LEU 18 HD22 LEU 18 -1.096 -11.400 -23.720 146 HD23 LEU 18 HD23 LEU 18 0.432 -11.807 -24.533 147 H ASP 19 H ASP 19 2.463 -14.482 -20.995 148 HA ASP 19 HA ASP 19 0.475 -15.371 -19.002 149 HB2 ASP 19 HB2 ASP 19 1.246 -16.427 -21.293 150 HB3 ASP 19 HB3 ASP 19 2.522 -17.164 -20.345 151 H GLU 20 H GLU 20 3.952 -15.980 -19.581 152 HA GLU 20 HA GLU 20 4.541 -16.869 -16.993 153 HB2 GLU 20 HB2 GLU 20 6.822 -16.707 -17.540 154 HB3 GLU 20 HB3 GLU 20 5.963 -17.186 -19.000 155 HG2 GLU 20 HG2 GLU 20 6.155 -14.923 -19.914 156 HG3 GLU 20 HG3 GLU 20 6.880 -14.330 -18.421 157 H LEU 21 H LEU 21 4.179 -13.627 -18.294 158 HA LEU 21 HA LEU 21 5.299 -12.174 -16.040 159 HB2 LEU 21 HB2 LEU 21 3.571 -11.549 -18.410 160 HB3 LEU 21 HB3 LEU 21 3.453 -10.455 -17.074 161 HG LEU 21 HG LEU 21 5.086 -9.999 -19.015 162 HD11 LEU 21 HD11 LEU 21 6.020 -9.709 -16.116 163 HD12 LEU 21 HD12 LEU 21 6.503 -8.672 -17.475 164 HD13 LEU 21 HD13 LEU 21 4.823 -8.668 -16.910 165 HD21 LEU 21 HD21 LEU 21 7.026 -11.614 -17.292 166 HD22 LEU 21 HD22 LEU 21 6.485 -12.043 -18.936 167 HD23 LEU 21 HD23 LEU 21 7.420 -10.577 -18.678 168 H ALA 22 H ALA 22 1.797 -12.755 -16.928 169 HA ALA 22 HA ALA 22 0.821 -11.827 -14.496 170 HB1 ALA 22 HB1 ALA 22 -0.377 -13.959 -16.310 171 HB2 ALA 22 HB2 ALA 22 -1.244 -13.010 -15.081 172 HB3 ALA 22 HB3 ALA 22 -0.550 -12.199 -16.493 173 H ARG 23 H ARG 23 1.851 -15.133 -15.281 174 HA ARG 23 HA ARG 23 1.213 -16.454 -12.839 175 HB2 ARG 23 HB2 ARG 23 3.316 -16.912 -14.987 176 HB3 ARG 23 HB3 ARG 23 3.121 -17.999 -13.607 177 HG2 ARG 23 HG2 ARG 23 1.018 -18.761 -14.288 178 HG3 ARG 23 HG3 ARG 23 0.694 -17.344 -15.273 179 HD2 ARG 23 HD2 ARG 23 1.046 -19.281 -16.671 180 HD3 ARG 23 HD3 ARG 23 2.294 -18.065 -16.971 181 HE ARG 23 HE ARG 23 3.280 -19.938 -15.055 182 HH11 ARG 23 HH11 ARG 23 4.792 -21.454 -15.664 183 HH12 ARG 23 HH12 ARG 23 4.907 -21.956 -17.332 184 HH21 ARG 23 HH21 ARG 23 2.431 -19.859 -18.474 185 HH22 ARG 23 HH22 ARG 23 3.628 -21.058 -18.889 186 H LYS 24 H LYS 24 4.521 -15.319 -13.782 187 HA LYS 24 HA LYS 24 5.588 -15.783 -11.179 188 HB2 LYS 24 HB2 LYS 24 6.590 -14.052 -13.475 189 HB3 LYS 24 HB3 LYS 24 7.468 -14.258 -11.962 190 HG2 LYS 24 HG2 LYS 24 7.527 -16.700 -12.256 191 HG3 LYS 24 HG3 LYS 24 6.618 -16.576 -13.764 192 HD2 LYS 24 HD2 LYS 24 9.338 -15.259 -13.330 193 HD3 LYS 24 HD3 LYS 24 9.118 -16.887 -13.985 194 HE2 LYS 24 HE2 LYS 24 7.685 -15.933 -15.799 195 HE3 LYS 24 HE3 LYS 24 8.041 -14.314 -15.209 196 HZ1 LYS 24 HZ1 LYS 24 9.508 -15.142 -17.063 197 HZ2 LYS 24 HZ2 LYS 24 10.347 -14.621 -15.763 198 HZ3 LYS 24 HZ3 LYS 24 10.151 -16.223 -16.053 199 H ALA 25 H ALA 25 4.354 -12.728 -12.574 200 HA ALA 25 HA ALA 25 4.854 -11.099 -10.270 201 HB1 ALA 25 HB1 ALA 25 2.648 -10.830 -12.338 202 HB2 ALA 25 HB2 ALA 25 3.288 -9.576 -11.250 203 HB3 ALA 25 HB3 ALA 25 4.315 -10.232 -12.538 204 H LYS 26 H LYS 26 1.519 -12.590 -11.106 205 HA LYS 26 HA LYS 26 0.648 -11.820 -8.550 206 HB2 LYS 26 HB2 LYS 26 -0.755 -12.632 -10.581 207 HB3 LYS 26 HB3 LYS 26 -0.459 -14.260 -9.975 208 HG2 LYS 26 HG2 LYS 26 -2.458 -13.793 -8.877 209 HG3 LYS 26 HG3 LYS 26 -1.325 -13.226 -7.663 210 HD2 LYS 26 HD2 LYS 26 -1.600 -10.901 -9.009 211 HD3 LYS 26 HD3 LYS 26 -3.153 -11.666 -9.446 212 HE2 LYS 26 HE2 LYS 26 -3.167 -12.240 -6.842 213 HE3 LYS 26 HE3 LYS 26 -1.971 -10.934 -6.782 214 HZ1 LYS 26 HZ1 LYS 26 -4.234 -10.155 -6.350 215 HZ2 LYS 26 HZ2 LYS 26 -3.617 -9.446 -7.679 216 HZ3 LYS 26 HZ3 LYS 26 -4.738 -10.638 -7.831 217 H GLU 27 H GLU 27 2.446 -14.782 -9.372 218 HA GLU 27 HA GLU 27 2.128 -16.117 -6.849 219 HB2 GLU 27 HB2 GLU 27 4.283 -16.148 -8.984 220 HB3 GLU 27 HB3 GLU 27 4.490 -17.014 -7.467 221 HG2 GLU 27 HG2 GLU 27 2.402 -18.270 -7.841 222 HG3 GLU 27 HG3 GLU 27 2.139 -17.430 -9.362 223 H GLU 28 H GLU 28 4.714 -13.796 -7.874 224 HA GLU 28 HA GLU 28 5.798 -13.779 -5.160 225 HB2 GLU 28 HB2 GLU 28 7.615 -12.589 -6.025 226 HB3 GLU 28 HB3 GLU 28 7.178 -13.761 -7.266 227 HG2 GLU 28 HG2 GLU 28 5.842 -11.785 -8.343 228 HG3 GLU 28 HG3 GLU 28 6.739 -10.757 -7.240 229 H VAL 29 H VAL 29 3.533 -11.844 -6.852 230 HA VAL 29 HA VAL 29 3.199 -10.003 -4.570 231 HB VAL 29 HB VAL 29 2.757 -8.114 -6.008 232 HG11 VAL 29 HG11 VAL 29 5.015 -7.459 -6.429 233 HG12 VAL 29 HG12 VAL 29 5.013 -8.469 -4.959 234 HG13 VAL 29 HG13 VAL 29 5.551 -9.139 -6.525 235 HG21 VAL 29 HG21 VAL 29 2.418 -9.440 -8.188 236 HG22 VAL 29 HG22 VAL 29 3.414 -7.965 -8.300 237 HG23 VAL 29 HG23 VAL 29 4.187 -9.566 -8.248 238 HA PRO 30 HA PRO 30 -0.763 -12.112 -5.607 239 HB2 PRO 30 HB2 PRO 30 -1.387 -12.770 -3.013 240 HB3 PRO 30 HB3 PRO 30 -0.329 -13.769 -4.070 241 HG2 PRO 30 HG2 PRO 30 0.475 -11.738 -1.972 242 HG3 PRO 30 HG3 PRO 30 1.109 -13.399 -2.206 243 HD2 PRO 30 HD2 PRO 30 2.376 -11.188 -3.209 244 HD3 PRO 30 HD3 PRO 30 2.360 -12.728 -4.123 245 H ASP 31 H ASP 31 0.213 -9.354 -3.937 246 HA ASP 31 HA ASP 31 -2.447 -8.286 -3.164 247 HB2 ASP 31 HB2 ASP 31 -0.366 -7.778 -1.897 248 HB3 ASP 31 HB3 ASP 31 0.369 -7.132 -3.345 249 H ALA 32 H ALA 32 -0.133 -8.225 -5.784 250 HA ALA 32 HA ALA 32 -0.985 -5.738 -6.900 251 HB1 ALA 32 HB1 ALA 32 0.721 -7.956 -8.130 252 HB2 ALA 32 HB2 ALA 32 0.721 -6.258 -8.624 253 HB3 ALA 32 HB3 ALA 32 1.355 -6.721 -7.016 254 H GLU 33 H GLU 33 -1.782 -5.386 -9.108 255 HA GLU 33 HA GLU 33 -3.708 -7.575 -9.878 256 HB2 GLU 33 HB2 GLU 33 -4.136 -4.797 -10.848 257 HB3 GLU 33 HB3 GLU 33 -5.277 -6.089 -10.565 258 HG2 GLU 33 HG2 GLU 33 -3.858 -4.546 -8.367 259 HG3 GLU 33 HG3 GLU 33 -5.414 -4.110 -9.041 260 H ILE 34 H ILE 34 -2.958 -8.764 -11.435 261 HA ILE 34 HA ILE 34 -1.449 -7.484 -13.605 262 HB ILE 34 HB ILE 34 -1.728 -10.455 -13.324 263 HG12 ILE 34 HG12 ILE 34 -1.237 -9.914 -11.054 264 HG13 ILE 34 HG13 ILE 34 0.121 -10.656 -11.829 265 HG21 ILE 34 HG21 ILE 34 -0.066 -8.509 -14.796 266 HG22 ILE 34 HG22 ILE 34 0.863 -9.803 -14.030 267 HG23 ILE 34 HG23 ILE 34 -0.476 -10.161 -15.159 268 HD11 ILE 34 HD11 ILE 34 0.712 -8.819 -10.278 269 HD12 ILE 34 HD12 ILE 34 1.348 -8.612 -11.927 270 HD13 ILE 34 HD13 ILE 34 -0.029 -7.637 -11.392 271 H ARG 35 H ARG 35 -2.368 -7.049 -15.471 272 HA ARG 35 HA ARG 35 -4.442 -8.821 -16.604 273 HB2 ARG 35 HB2 ARG 35 -6.026 -6.969 -17.077 274 HB3 ARG 35 HB3 ARG 35 -5.915 -7.334 -15.381 275 HG2 ARG 35 HG2 ARG 35 -4.351 -5.036 -16.635 276 HG3 ARG 35 HG3 ARG 35 -6.003 -4.944 -15.996 277 HD2 ARG 35 HD2 ARG 35 -4.819 -6.152 -13.898 278 HD3 ARG 35 HD3 ARG 35 -3.442 -5.306 -14.506 279 HE ARG 35 HE ARG 35 -4.807 -3.164 -14.239 280 HH11 ARG 35 HH11 ARG 35 -6.466 -6.000 -12.894 281 HH12 ARG 35 HH12 ARG 35 -7.584 -4.926 -12.067 282 HH21 ARG 35 HH21 ARG 35 -6.380 -2.020 -13.126 283 HH22 ARG 35 HH22 ARG 35 -7.455 -2.954 -12.090 284 H THR 36 H THR 36 -5.220 -8.084 -18.778 285 HA THR 36 HA THR 36 -3.011 -6.790 -20.280 286 HB THR 36 HB THR 36 -3.131 -8.324 -22.070 287 HG1 THR 36 HG1 THR 36 -5.169 -9.739 -20.717 288 HG21 THR 36 HG21 THR 36 -2.256 -10.294 -21.175 289 HG22 THR 36 HG22 THR 36 -1.966 -9.143 -19.865 290 HG23 THR 36 HG23 THR 36 -3.315 -10.262 -19.745 291 H VAL 37 H VAL 37 -3.535 -5.755 -22.242 292 HA VAL 37 HA VAL 37 -6.371 -5.032 -22.825 293 HB VAL 37 HB VAL 37 -6.205 -2.941 -22.440 294 HG11 VAL 37 HG11 VAL 37 -4.648 -1.937 -21.011 295 HG12 VAL 37 HG12 VAL 37 -5.142 -3.538 -20.404 296 HG13 VAL 37 HG13 VAL 37 -3.523 -3.320 -21.157 297 HG21 VAL 37 HG21 VAL 37 -4.303 -1.445 -23.085 298 HG22 VAL 37 HG22 VAL 37 -3.557 -2.835 -23.857 299 HG23 VAL 37 HG23 VAL 37 -5.210 -2.289 -24.352 300 H THR 38 H THR 38 -6.801 -4.545 -24.823 301 HA THR 38 HA THR 38 -4.702 -5.022 -26.946 302 HB THR 38 HB THR 38 -5.935 -7.060 -26.519 303 HG1 THR 38 HG1 THR 38 -6.425 -5.847 -29.020 304 HG21 THR 38 HG21 THR 38 -8.414 -5.487 -27.289 305 HG22 THR 38 HG22 THR 38 -8.316 -7.260 -27.228 306 HG23 THR 38 HG23 THR 38 -8.063 -6.311 -25.760 307 H THR 39 H THR 39 -7.168 -3.005 -25.896 308 HA THR 39 HA THR 39 -7.003 -1.269 -28.298 309 HB THR 39 HB THR 39 -9.527 -1.011 -28.236 310 HG1 THR 39 HG1 THR 39 -9.490 -3.420 -26.788 311 HG21 THR 39 HG21 THR 39 -8.531 -2.436 -30.014 312 HG22 THR 39 HG22 THR 39 -8.760 -3.861 -28.974 313 HG23 THR 39 HG23 THR 39 -10.161 -2.914 -29.523 314 H LYS 40 H LYS 40 -8.198 0.770 -27.957 315 HA LYS 40 HA LYS 40 -7.260 2.159 -25.718 316 HB2 LYS 40 HB2 LYS 40 -8.688 3.995 -26.469 317 HB3 LYS 40 HB3 LYS 40 -7.846 3.220 -27.789 318 HG2 LYS 40 HG2 LYS 40 -9.855 3.532 -28.784 319 HG3 LYS 40 HG3 LYS 40 -10.070 1.905 -28.191 320 HD2 LYS 40 HD2 LYS 40 -12.094 3.236 -27.869 321 HD3 LYS 40 HD3 LYS 40 -11.463 2.755 -26.311 322 HE2 LYS 40 HE2 LYS 40 -12.179 5.023 -26.127 323 HE3 LYS 40 HE3 LYS 40 -10.434 5.009 -26.024 324 HZ1 LYS 40 HZ1 LYS 40 -11.986 5.693 -28.464 325 HZ2 LYS 40 HZ2 LYS 40 -11.253 6.773 -27.496 326 HZ3 LYS 40 HZ3 LYS 40 -10.354 5.729 -28.369 327 H GLU 41 H GLU 41 -10.225 0.358 -26.059 328 HA GLU 41 HA GLU 41 -11.521 1.534 -23.718 329 HB2 GLU 41 HB2 GLU 41 -13.241 -0.217 -24.079 330 HB3 GLU 41 HB3 GLU 41 -12.908 0.764 -25.518 331 HG2 GLU 41 HG2 GLU 41 -11.672 -0.964 -26.554 332 HG3 GLU 41 HG3 GLU 41 -11.698 -1.987 -25.111 333 H ASP 42 H ASP 42 -9.801 -1.516 -24.420 334 HA ASP 42 HA ASP 42 -10.061 -2.562 -21.754 335 HB2 ASP 42 HB2 ASP 42 -8.000 -3.067 -23.917 336 HB3 ASP 42 HB3 ASP 42 -8.091 -3.905 -22.392 337 H ALA 43 H ALA 43 -7.574 -0.518 -23.293 338 HA ALA 43 HA ALA 43 -5.918 -0.255 -20.971 339 HB1 ALA 43 HB1 ALA 43 -5.070 0.460 -23.006 340 HB2 ALA 43 HB2 ALA 43 -6.447 1.541 -23.358 341 HB3 ALA 43 HB3 ALA 43 -5.276 1.948 -22.070 342 H LYS 44 H LYS 44 -8.750 1.619 -22.021 343 HA LYS 44 HA LYS 44 -8.702 3.475 -19.835 344 HB2 LYS 44 HB2 LYS 44 -9.859 3.904 -21.929 345 HB3 LYS 44 HB3 LYS 44 -11.073 2.665 -21.551 346 HG2 LYS 44 HG2 LYS 44 -12.018 3.912 -19.823 347 HG3 LYS 44 HG3 LYS 44 -10.532 4.783 -19.468 348 HD2 LYS 44 HD2 LYS 44 -10.782 6.004 -21.666 349 HD3 LYS 44 HD3 LYS 44 -12.408 5.282 -21.805 350 HE2 LYS 44 HE2 LYS 44 -12.976 6.263 -19.566 351 HE3 LYS 44 HE3 LYS 44 -11.367 6.988 -19.498 352 HZ1 LYS 44 HZ1 LYS 44 -13.444 7.619 -21.532 353 HZ2 LYS 44 HZ2 LYS 44 -13.012 8.581 -20.288 354 HZ3 LYS 44 HZ3 LYS 44 -11.951 8.287 -21.482 355 H ARG 45 H ARG 45 -10.407 0.425 -20.236 356 HA ARG 45 HA ARG 45 -11.811 0.140 -17.793 357 HB2 ARG 45 HB2 ARG 45 -12.256 -1.197 -19.709 358 HB3 ARG 45 HB3 ARG 45 -10.577 -1.690 -19.845 359 HG2 ARG 45 HG2 ARG 45 -10.867 -3.083 -17.759 360 HG3 ARG 45 HG3 ARG 45 -12.616 -2.740 -17.884 361 HD2 ARG 45 HD2 ARG 45 -12.574 -3.613 -20.226 362 HD3 ARG 45 HD3 ARG 45 -10.842 -3.944 -20.072 363 HE ARG 45 HE ARG 45 -12.331 -5.235 -17.979 364 HH11 ARG 45 HH11 ARG 45 -11.416 -5.714 -21.376 365 HH12 ARG 45 HH12 ARG 45 -11.750 -7.415 -21.280 366 HH21 ARG 45 HH21 ARG 45 -12.687 -7.428 -17.985 367 HH22 ARG 45 HH22 ARG 45 -12.430 -8.354 -19.442 368 H VAL 46 H VAL 46 -8.616 -1.340 -18.601 369 HA VAL 46 HA VAL 46 -8.203 -2.285 -15.951 370 HB VAL 46 HB VAL 46 -5.947 -2.691 -16.491 371 HG11 VAL 46 HG11 VAL 46 -7.675 -3.394 -18.917 372 HG12 VAL 46 HG12 VAL 46 -6.240 -4.251 -18.351 373 HG13 VAL 46 HG13 VAL 46 -7.723 -4.235 -17.370 374 HG21 VAL 46 HG21 VAL 46 -4.886 -2.200 -18.599 375 HG22 VAL 46 HG22 VAL 46 -6.258 -1.158 -19.053 376 HG23 VAL 46 HG23 VAL 46 -5.222 -0.746 -17.659 377 H ALA 47 H ALA 47 -7.241 0.789 -17.405 378 HA ALA 47 HA ALA 47 -5.783 1.638 -15.060 379 HB1 ALA 47 HB1 ALA 47 -6.846 3.367 -17.310 380 HB2 ALA 47 HB2 ALA 47 -5.430 3.641 -16.247 381 HB3 ALA 47 HB3 ALA 47 -5.412 2.350 -17.466 382 H GLU 48 H GLU 48 -9.010 2.691 -16.346 383 HA GLU 48 HA GLU 48 -9.727 4.289 -14.136 384 HB2 GLU 48 HB2 GLU 48 -11.911 4.254 -14.885 385 HB3 GLU 48 HB3 GLU 48 -10.958 4.102 -16.355 386 HG2 GLU 48 HG2 GLU 48 -11.384 1.663 -16.363 387 HG3 GLU 48 HG3 GLU 48 -12.233 1.754 -14.854 388 H GLU 49 H GLU 49 -9.459 0.822 -14.355 389 HA GLU 49 HA GLU 49 -10.878 0.296 -11.829 390 HB2 GLU 49 HB2 GLU 49 -10.150 -1.462 -13.855 391 HB3 GLU 49 HB3 GLU 49 -8.777 -1.603 -12.826 392 HG2 GLU 49 HG2 GLU 49 -10.517 -1.871 -10.854 393 HG3 GLU 49 HG3 GLU 49 -11.665 -2.220 -12.141 394 H ALA 50 H ALA 50 -7.443 0.433 -12.886 395 HA ALA 50 HA ALA 50 -6.221 -0.098 -10.393 396 HB1 ALA 50 HB1 ALA 50 -5.299 1.630 -12.707 397 HB2 ALA 50 HB2 ALA 50 -4.272 1.089 -11.385 398 HB3 ALA 50 HB3 ALA 50 -4.982 -0.119 -12.496 399 H GLU 51 H GLU 51 -7.567 3.010 -11.572 400 HA GLU 51 HA GLU 51 -6.375 4.476 -9.333 401 HB2 GLU 51 HB2 GLU 51 -7.593 6.381 -10.130 402 HB3 GLU 51 HB3 GLU 51 -6.938 5.488 -11.523 403 HG2 GLU 51 HG2 GLU 51 -9.051 4.613 -12.111 404 HG3 GLU 51 HG3 GLU 51 -9.818 5.182 -10.623 405 H ARG 52 H ARG 52 -8.998 2.446 -9.555 406 HA ARG 52 HA ARG 52 -10.609 3.598 -7.337 407 HB2 ARG 52 HB2 ARG 52 -10.813 0.734 -8.319 408 HB3 ARG 52 HB3 ARG 52 -12.045 1.696 -7.515 409 HG2 ARG 52 HG2 ARG 52 -10.936 2.064 -10.302 410 HG3 ARG 52 HG3 ARG 52 -12.528 1.429 -9.928 411 HD2 ARG 52 HD2 ARG 52 -11.547 4.273 -9.424 412 HD3 ARG 52 HD3 ARG 52 -12.669 3.758 -10.685 413 HE ARG 52 HE ARG 52 -14.031 2.938 -8.515 414 HH11 ARG 52 HH11 ARG 52 -12.487 6.053 -9.072 415 HH12 ARG 52 HH12 ARG 52 -13.597 6.879 -7.997 416 HH21 ARG 52 HH21 ARG 52 -15.409 4.060 -7.199 417 HH22 ARG 52 HH22 ARG 52 -15.200 5.775 -6.970 418 H ARG 53 H ARG 53 -8.293 0.998 -7.743 419 HA ARG 53 HA ARG 53 -8.150 0.497 -4.810 420 HB2 ARG 53 HB2 ARG 53 -6.878 -1.517 -5.441 421 HB3 ARG 53 HB3 ARG 53 -8.474 -1.486 -6.160 422 HG2 ARG 53 HG2 ARG 53 -6.586 -0.252 -8.017 423 HG3 ARG 53 HG3 ARG 53 -5.897 -1.757 -7.460 424 HD2 ARG 53 HD2 ARG 53 -8.697 -1.490 -8.601 425 HD3 ARG 53 HD3 ARG 53 -7.287 -2.064 -9.507 426 HE ARG 53 HE ARG 53 -7.152 -3.891 -7.683 427 HH11 ARG 53 HH11 ARG 53 -10.299 -2.666 -8.666 428 HH12 ARG 53 HH12 ARG 53 -11.070 -4.171 -8.189 429 HH21 ARG 53 HH21 ARG 53 -8.112 -5.579 -7.130 430 HH22 ARG 53 HH22 ARG 53 -9.851 -5.825 -7.297 431 H ASN 54 H ASN 54 -6.632 2.339 -7.055 432 HA ASN 54 HA ASN 54 -4.978 3.878 -6.830 433 HB2 ASN 54 HB2 ASN 54 -5.546 3.087 -4.010 434 HB3 ASN 54 HB3 ASN 54 -4.210 4.211 -4.355 435 HD21 ASN 54 HD21 ASN 54 -8.146 5.192 -5.150 436 HD22 ASN 54 HD22 ASN 54 -7.690 3.569 -4.705 437 H ALA 55 H ALA 55 -4.067 2.043 -8.079 438 HA ALA 55 HA ALA 55 -1.885 0.496 -7.166 439 HB1 ALA 55 HB1 ALA 55 -2.424 1.602 -9.938 440 HB2 ALA 55 HB2 ALA 55 -1.362 0.240 -9.507 441 HB3 ALA 55 HB3 ALA 55 -3.131 0.141 -9.207 442 H ASP 56 H ASP 56 -0.493 1.729 -5.841 443 HA ASP 56 HA ASP 56 0.620 4.181 -6.426 444 HB2 ASP 56 HB2 ASP 56 0.948 2.272 -4.410 445 HB3 ASP 56 HB3 ASP 56 2.553 2.399 -5.084 446 H ILE 57 H ILE 57 1.691 1.035 -7.593 447 HA ILE 57 HA ILE 57 3.475 2.406 -9.551 448 HB ILE 57 HB ILE 57 4.172 -0.394 -8.691 449 HG12 ILE 57 HG12 ILE 57 4.891 2.023 -7.008 450 HG13 ILE 57 HG13 ILE 57 3.914 0.638 -6.508 451 HG21 ILE 57 HG21 ILE 57 5.878 2.033 -9.420 452 HG22 ILE 57 HG22 ILE 57 6.414 0.347 -9.346 453 HG23 ILE 57 HG23 ILE 57 5.286 0.852 -10.601 454 HD11 ILE 57 HD11 ILE 57 6.063 0.353 -5.551 455 HD12 ILE 57 HD12 ILE 57 5.903 -0.850 -6.852 456 HD13 ILE 57 HD13 ILE 57 6.883 0.625 -7.099 457 H VAL 58 H VAL 58 2.968 2.022 -11.574 458 HA VAL 58 HA VAL 58 1.461 -0.414 -12.419 459 HB VAL 58 HB VAL 58 0.662 1.357 -14.257 460 HG11 VAL 58 HG11 VAL 58 -0.539 0.969 -11.519 461 HG12 VAL 58 HG12 VAL 58 -1.388 1.693 -12.905 462 HG13 VAL 58 HG13 VAL 58 -0.841 0.021 -13.010 463 HG21 VAL 58 HG21 VAL 58 1.924 3.233 -13.032 464 HG22 VAL 58 HG22 VAL 58 0.214 3.520 -13.390 465 HG23 VAL 58 HG23 VAL 58 0.757 3.086 -11.732 466 H VAL 59 H VAL 59 3.105 -1.579 -13.036 467 HA VAL 59 HA VAL 59 5.036 -0.565 -15.058 468 HB VAL 59 HB VAL 59 5.642 -2.138 -13.124 469 HG11 VAL 59 HG11 VAL 59 5.517 -4.485 -13.435 470 HG12 VAL 59 HG12 VAL 59 3.890 -3.779 -13.375 471 HG13 VAL 59 HG13 VAL 59 4.591 -4.294 -14.942 472 HG21 VAL 59 HG21 VAL 59 7.229 -1.682 -14.875 473 HG22 VAL 59 HG22 VAL 59 7.266 -3.414 -14.560 474 HG23 VAL 59 HG23 VAL 59 6.384 -2.807 -15.986 475 H ILE 60 H ILE 60 4.465 -0.497 -17.130 476 HA ILE 60 HA ILE 60 2.239 -2.173 -18.154 477 HB ILE 60 HB ILE 60 3.697 0.080 -19.490 478 HG12 ILE 60 HG12 ILE 60 2.719 1.024 -17.339 479 HG13 ILE 60 HG13 ILE 60 2.284 1.792 -18.838 480 HG21 ILE 60 HG21 ILE 60 2.406 -1.180 -21.058 481 HG22 ILE 60 HG22 ILE 60 0.986 -1.190 -19.992 482 HG23 ILE 60 HG23 ILE 60 1.517 0.323 -20.752 483 HD11 ILE 60 HD11 ILE 60 0.086 0.710 -18.808 484 HD12 ILE 60 HD12 ILE 60 0.528 -0.103 -17.266 485 HD13 ILE 60 HD13 ILE 60 0.391 1.672 -17.371 486 H VAL 61 H VAL 61 2.707 -3.710 -19.762 487 HA VAL 61 HA VAL 61 5.524 -4.044 -20.708 488 HB VAL 61 HB VAL 61 3.425 -6.161 -20.355 489 HG11 VAL 61 HG11 VAL 61 5.325 -7.721 -20.587 490 HG12 VAL 61 HG12 VAL 61 5.136 -6.742 -22.041 491 HG13 VAL 61 HG13 VAL 61 6.425 -6.358 -20.887 492 HG21 VAL 61 HG21 VAL 61 5.811 -5.538 -18.558 493 HG22 VAL 61 HG22 VAL 61 4.100 -5.283 -18.130 494 HG23 VAL 61 HG23 VAL 61 4.707 -6.919 -18.400 495 H GLY 62 H GLY 62 5.805 -3.674 -22.856 496 HA2 GLY 62 HA2 GLY 62 3.869 -4.573 -24.875 497 HA3 GLY 62 HA3 GLY 62 4.013 -2.821 -24.717 498 HA PRO 63 HA PRO 63 7.244 -4.627 -27.651 499 HB2 PRO 63 HB2 PRO 63 6.516 -3.292 -29.942 500 HB3 PRO 63 HB3 PRO 63 5.873 -4.890 -29.434 501 HG2 PRO 63 HG2 PRO 63 4.585 -2.177 -29.143 502 HG3 PRO 63 HG3 PRO 63 3.830 -3.727 -29.615 503 HD2 PRO 63 HD2 PRO 63 3.689 -2.704 -27.064 504 HD3 PRO 63 HD3 PRO 63 3.732 -4.460 -27.390 505 H SER 64 H SER 64 6.100 -1.345 -28.405 506 HA SER 64 HA SER 64 8.401 0.018 -27.239 507 HB2 SER 64 HB2 SER 64 9.392 0.851 -29.210 508 HB3 SER 64 HB3 SER 64 9.212 -0.884 -29.488 509 HG SER 64 HG SER 64 8.499 0.211 -31.300 510 H GLY 65 H GLY 65 8.295 2.374 -27.486 511 HA2 GLY 65 HA2 GLY 65 5.577 3.435 -27.450 512 HA3 GLY 65 HA3 GLY 65 7.079 4.320 -27.168 513 H SER 66 H SER 66 7.363 2.657 -30.100 514 HA SER 66 HA SER 66 6.560 5.080 -31.688 515 HB2 SER 66 HB2 SER 66 9.082 3.417 -31.990 516 HB3 SER 66 HB3 SER 66 8.598 4.776 -33.012 517 HG SER 66 HG SER 66 9.209 4.862 -30.239 518 H GLY 67 H GLY 67 6.239 1.634 -31.520 519 HA2 GLY 67 HA2 GLY 67 5.833 1.159 -34.371 520 HA3 GLY 67 HA3 GLY 67 5.461 0.068 -33.035 521 H LYS 68 H LYS 68 3.627 0.544 -31.743 522 HA LYS 68 HA LYS 68 1.238 1.825 -32.929 523 HB2 LYS 68 HB2 LYS 68 0.126 -0.321 -33.424 524 HB3 LYS 68 HB3 LYS 68 1.586 -0.129 -34.365 525 HG2 LYS 68 HG2 LYS 68 2.040 -2.238 -33.728 526 HG3 LYS 68 HG3 LYS 68 2.641 -1.487 -32.239 527 HD2 LYS 68 HD2 LYS 68 0.556 -1.905 -31.103 528 HD3 LYS 68 HD3 LYS 68 -0.171 -2.558 -32.596 529 HE2 LYS 68 HE2 LYS 68 1.593 -4.337 -32.621 530 HE3 LYS 68 HE3 LYS 68 2.264 -3.677 -31.134 531 HZ1 LYS 68 HZ1 LYS 68 -0.415 -4.900 -31.464 532 HZ2 LYS 68 HZ2 LYS 68 0.835 -5.493 -30.598 533 HZ3 LYS 68 HZ3 LYS 68 0.059 -4.149 -30.089 534 H SER 69 H SER 69 2.811 1.108 -30.198 535 HA SER 69 HA SER 69 0.866 -0.365 -28.672 536 HB2 SER 69 HB2 SER 69 3.411 -0.413 -28.480 537 HB3 SER 69 HB3 SER 69 3.266 1.096 -27.546 538 HG SER 69 HG SER 69 1.998 -0.003 -26.085 539 H THR 70 H THR 70 -0.357 2.066 -29.602 540 HA THR 70 HA THR 70 -0.404 4.219 -27.821 541 HB THR 70 HB THR 70 -2.975 3.236 -29.013 542 HG1 THR 70 HG1 THR 70 -2.282 4.136 -31.010 543 HG21 THR 70 HG21 THR 70 -1.660 5.994 -28.872 544 HG22 THR 70 HG22 THR 70 -3.281 5.640 -29.524 545 HG23 THR 70 HG23 THR 70 -2.944 5.409 -27.801 546 H LEU 71 H LEU 71 -2.120 1.111 -27.473 547 HA LEU 71 HA LEU 71 -3.870 1.861 -25.388 548 HB2 LEU 71 HB2 LEU 71 -2.632 -0.897 -25.572 549 HB3 LEU 71 HB3 LEU 71 -4.237 -0.399 -25.074 550 HG LEU 71 HG LEU 71 -4.742 -1.387 -27.002 551 HD11 LEU 71 HD11 LEU 71 -4.112 1.276 -28.355 552 HD12 LEU 71 HD12 LEU 71 -5.375 0.125 -28.719 553 HD13 LEU 71 HD13 LEU 71 -5.431 1.072 -27.199 554 HD21 LEU 71 HD21 LEU 71 -3.477 -1.515 -29.034 555 HD22 LEU 71 HD22 LEU 71 -2.256 -0.374 -28.430 556 HD23 LEU 71 HD23 LEU 71 -2.457 -1.965 -27.671 557 H ALA 72 H ALA 72 -0.479 0.968 -25.274 558 HA ALA 72 HA ALA 72 -0.253 0.692 -22.390 559 HB1 ALA 72 HB1 ALA 72 2.183 0.757 -22.844 560 HB2 ALA 72 HB2 ALA 72 1.368 -0.334 -23.967 561 HB3 ALA 72 HB3 ALA 72 1.879 1.292 -24.492 562 H LYS 73 H LYS 73 0.420 3.426 -24.674 563 HA LYS 73 HA LYS 73 0.964 5.230 -22.472 564 HB2 LYS 73 HB2 LYS 73 0.994 7.056 -23.980 565 HB3 LYS 73 HB3 LYS 73 1.984 5.747 -24.583 566 HG2 LYS 73 HG2 LYS 73 0.745 5.470 -26.456 567 HG3 LYS 73 HG3 LYS 73 -0.797 5.768 -25.643 568 HD2 LYS 73 HD2 LYS 73 1.055 8.081 -26.207 569 HD3 LYS 73 HD3 LYS 73 -0.054 7.441 -27.433 570 HE2 LYS 73 HE2 LYS 73 -1.966 7.713 -25.898 571 HE3 LYS 73 HE3 LYS 73 -0.910 8.359 -24.650 572 HZ1 LYS 73 HZ1 LYS 73 -1.986 10.151 -25.893 573 HZ2 LYS 73 HZ2 LYS 73 -0.378 10.211 -26.152 574 HZ3 LYS 73 HZ3 LYS 73 -1.372 9.617 -27.301 575 H ILE 74 H ILE 74 -2.061 4.343 -24.072 576 HA ILE 74 HA ILE 74 -3.661 6.417 -22.923 577 HB ILE 74 HB ILE 74 -4.346 3.591 -23.799 578 HG12 ILE 74 HG12 ILE 74 -5.190 6.250 -25.022 579 HG13 ILE 74 HG13 ILE 74 -3.694 5.470 -25.485 580 HG21 ILE 74 HG21 ILE 74 -6.285 5.772 -22.891 581 HG22 ILE 74 HG22 ILE 74 -6.740 4.223 -23.637 582 HG23 ILE 74 HG23 ILE 74 -5.987 4.238 -22.049 583 HD11 ILE 74 HD11 ILE 74 -5.348 4.877 -27.122 584 HD12 ILE 74 HD12 ILE 74 -5.061 3.407 -26.183 585 HD13 ILE 74 HD13 ILE 74 -6.505 4.382 -25.878 586 H VAL 75 H VAL 75 -2.928 3.070 -21.638 587 HA VAL 75 HA VAL 75 -4.141 3.485 -19.095 588 HB VAL 75 HB VAL 75 -1.689 1.828 -19.840 589 HG11 VAL 75 HG11 VAL 75 -3.456 1.543 -17.352 590 HG12 VAL 75 HG12 VAL 75 -2.089 0.518 -17.812 591 HG13 VAL 75 HG13 VAL 75 -1.801 2.197 -17.346 592 HG21 VAL 75 HG21 VAL 75 -3.598 1.015 -21.041 593 HG22 VAL 75 HG22 VAL 75 -3.219 -0.109 -19.744 594 HG23 VAL 75 HG23 VAL 75 -4.582 1.005 -19.543 595 H LYS 76 H LYS 76 -0.729 4.073 -20.059 596 HA LYS 76 HA LYS 76 0.115 5.166 -17.580 597 HB2 LYS 76 HB2 LYS 76 1.662 4.453 -19.278 598 HB3 LYS 76 HB3 LYS 76 1.101 5.688 -20.405 599 HG2 LYS 76 HG2 LYS 76 2.307 7.365 -19.473 600 HG3 LYS 76 HG3 LYS 76 2.092 6.779 -17.825 601 HD2 LYS 76 HD2 LYS 76 4.465 6.701 -18.523 602 HD3 LYS 76 HD3 LYS 76 3.825 5.129 -18.071 603 HE2 LYS 76 HE2 LYS 76 5.184 4.744 -19.912 604 HE3 LYS 76 HE3 LYS 76 3.535 4.512 -20.434 605 HZ1 LYS 76 HZ1 LYS 76 3.655 6.755 -21.463 606 HZ2 LYS 76 HZ2 LYS 76 5.219 6.901 -20.981 607 HZ3 LYS 76 HZ3 LYS 76 4.795 5.724 -22.029 608 H LYS 77 H LYS 77 -1.600 6.815 -20.172 609 HA LYS 77 HA LYS 77 -1.422 9.446 -18.869 610 HB2 LYS 77 HB2 LYS 77 -3.020 8.367 -21.222 611 HB3 LYS 77 HB3 LYS 77 -3.293 9.976 -20.600 612 HG2 LYS 77 HG2 LYS 77 -0.578 8.967 -21.568 613 HG3 LYS 77 HG3 LYS 77 -1.726 9.826 -22.578 614 HD2 LYS 77 HD2 LYS 77 -0.328 10.934 -20.101 615 HD3 LYS 77 HD3 LYS 77 0.070 11.279 -21.780 616 HE2 LYS 77 HE2 LYS 77 -2.216 12.246 -22.105 617 HE3 LYS 77 HE3 LYS 77 -2.532 12.014 -20.382 618 HZ1 LYS 77 HZ1 LYS 77 -0.648 13.508 -19.916 619 HZ2 LYS 77 HZ2 LYS 77 -0.371 13.717 -21.506 620 HZ3 LYS 77 HZ3 LYS 77 -1.748 14.270 -20.847 621 H ILE 78 H ILE 78 -3.826 6.816 -18.746 622 HA ILE 78 HA ILE 78 -5.638 8.390 -17.113 623 HB ILE 78 HB ILE 78 -5.385 5.384 -17.388 624 HG12 ILE 78 HG12 ILE 78 -6.559 7.464 -19.086 625 HG13 ILE 78 HG13 ILE 78 -6.138 5.794 -19.408 626 HG21 ILE 78 HG21 ILE 78 -6.467 5.940 -15.245 627 HG22 ILE 78 HG22 ILE 78 -7.573 7.065 -16.077 628 HG23 ILE 78 HG23 ILE 78 -7.656 5.311 -16.351 629 HD11 ILE 78 HD11 ILE 78 -8.751 6.780 -18.214 630 HD12 ILE 78 HD12 ILE 78 -8.483 6.121 -19.835 631 HD13 ILE 78 HD13 ILE 78 -8.320 5.066 -18.424 632 H ILE 79 H ILE 79 -2.885 6.257 -16.218 633 HA ILE 79 HA ILE 79 -3.536 6.724 -13.402 634 HB ILE 79 HB ILE 79 -1.293 5.070 -14.556 635 HG12 ILE 79 HG12 ILE 79 -3.408 4.165 -15.362 636 HG13 ILE 79 HG13 ILE 79 -2.714 3.127 -14.144 637 HG21 ILE 79 HG21 ILE 79 -2.441 5.496 -11.782 638 HG22 ILE 79 HG22 ILE 79 -1.688 3.951 -12.195 639 HG23 ILE 79 HG23 ILE 79 -0.750 5.453 -12.333 640 HD11 ILE 79 HD11 ILE 79 -5.148 3.372 -13.887 641 HD12 ILE 79 HD12 ILE 79 -4.316 3.974 -12.445 642 HD13 ILE 79 HD13 ILE 79 -5.000 5.110 -13.628 643 H ALA 80 H ALA 80 -1.212 8.059 -15.664 644 HA ALA 80 HA ALA 80 0.668 9.020 -13.891 645 HB1 ALA 80 HB1 ALA 80 -0.402 10.309 -16.435 646 HB2 ALA 80 HB2 ALA 80 1.042 10.867 -15.566 647 HB3 ALA 80 HB3 ALA 80 1.018 9.243 -16.273 648 H ARG 81 H ARG 81 -2.539 10.406 -14.616 649 HA ARG 81 HA ARG 81 -2.071 12.529 -12.592 650 HB2 ARG 81 HB2 ARG 81 -3.792 13.758 -13.408 651 HB3 ARG 81 HB3 ARG 81 -3.087 13.084 -14.867 652 HG2 ARG 81 HG2 ARG 81 -5.537 11.894 -13.477 653 HG3 ARG 81 HG3 ARG 81 -5.625 13.167 -14.697 654 HD2 ARG 81 HD2 ARG 81 -4.489 11.679 -16.309 655 HD3 ARG 81 HD3 ARG 81 -4.464 10.393 -15.093 656 HE ARG 81 HE ARG 81 -7.040 10.730 -15.045 657 HH11 ARG 81 HH11 ARG 81 -5.191 10.850 -17.995 658 HH12 ARG 81 HH12 ARG 81 -6.620 10.793 -19.012 659 HH21 ARG 81 HH21 ARG 81 -8.798 10.493 -16.351 660 HH22 ARG 81 HH22 ARG 81 -8.604 10.493 -18.085 661 H ALA 82 H ALA 82 -3.609 9.427 -12.771 662 HA ALA 82 HA ALA 82 -5.525 9.707 -10.666 663 HB1 ALA 82 HB1 ALA 82 -5.278 7.684 -12.138 664 HB2 ALA 82 HB2 ALA 82 -3.757 7.307 -11.269 665 HB3 ALA 82 HB3 ALA 82 -5.299 7.300 -10.408 666 H GLY 83 H GLY 83 -2.094 9.734 -10.606 667 HA2 GLY 83 HA2 GLY 83 -1.144 10.963 -8.698 668 HA3 GLY 83 HA3 GLY 83 -2.144 9.980 -7.609 669 H ALA 84 H ALA 84 -0.525 8.355 -10.226 670 HA ALA 84 HA ALA 84 1.438 7.136 -8.325 671 HB1 ALA 84 HB1 ALA 84 0.847 5.014 -9.573 672 HB2 ALA 84 HB2 ALA 84 -0.418 5.669 -8.502 673 HB3 ALA 84 HB3 ALA 84 -0.526 5.908 -10.257 674 H LYS 85 H LYS 85 2.948 5.604 -9.649 675 HA LYS 85 HA LYS 85 4.028 7.119 -11.984 676 HB2 LYS 85 HB2 LYS 85 6.217 6.272 -11.415 677 HB3 LYS 85 HB3 LYS 85 5.509 7.211 -10.098 678 HG2 LYS 85 HG2 LYS 85 4.864 5.094 -8.949 679 HG3 LYS 85 HG3 LYS 85 5.494 4.163 -10.277 680 HD2 LYS 85 HD2 LYS 85 7.103 4.219 -8.408 681 HD3 LYS 85 HD3 LYS 85 7.780 4.978 -9.862 682 HE2 LYS 85 HE2 LYS 85 6.818 7.196 -8.630 683 HE3 LYS 85 HE3 LYS 85 7.059 6.193 -7.213 684 HZ1 LYS 85 HZ1 LYS 85 9.418 5.885 -8.056 685 HZ2 LYS 85 HZ2 LYS 85 9.104 6.970 -9.218 686 HZ3 LYS 85 HZ3 LYS 85 9.071 7.424 -7.668 687 H THR 86 H THR 86 4.042 6.264 -13.761 688 HA THR 86 HA THR 86 3.625 3.355 -14.144 689 HB THR 86 HB THR 86 2.838 5.377 -16.253 690 HG1 THR 86 HG1 THR 86 1.081 6.097 -15.264 691 HG21 THR 86 HG21 THR 86 1.831 2.722 -15.504 692 HG22 THR 86 HG22 THR 86 0.619 3.890 -16.023 693 HG23 THR 86 HG23 THR 86 2.013 3.518 -17.075 694 H ILE 87 H ILE 87 4.753 2.237 -15.592 695 HA ILE 87 HA ILE 87 6.771 3.690 -17.271 696 HB ILE 87 HB ILE 87 8.469 1.948 -16.561 697 HG12 ILE 87 HG12 ILE 87 6.878 0.387 -15.547 698 HG13 ILE 87 HG13 ILE 87 8.365 0.727 -14.637 699 HG21 ILE 87 HG21 ILE 87 8.735 4.214 -15.932 700 HG22 ILE 87 HG22 ILE 87 7.633 4.038 -14.550 701 HG23 ILE 87 HG23 ILE 87 9.189 3.154 -14.591 702 HD11 ILE 87 HD11 ILE 87 6.856 0.709 -12.941 703 HD12 ILE 87 HD12 ILE 87 6.658 2.434 -13.400 704 HD13 ILE 87 HD13 ILE 87 5.514 1.237 -13.988 705 H GLU 88 H GLU 88 7.860 2.297 -18.813 706 HA GLU 88 HA GLU 88 6.039 0.169 -19.879 707 HB2 GLU 88 HB2 GLU 88 7.336 2.477 -21.347 708 HB3 GLU 88 HB3 GLU 88 6.893 0.983 -22.174 709 HG2 GLU 88 HG2 GLU 88 4.554 1.232 -21.453 710 HG3 GLU 88 HG3 GLU 88 4.953 2.731 -20.624 711 H VAL 89 H VAL 89 7.176 -1.551 -19.170 712 HA VAL 89 HA VAL 89 10.074 -1.770 -19.647 713 HB VAL 89 HB VAL 89 10.143 -3.555 -18.179 714 HG11 VAL 89 HG11 VAL 89 8.169 -1.506 -17.067 715 HG12 VAL 89 HG12 VAL 89 9.188 -2.585 -16.103 716 HG13 VAL 89 HG13 VAL 89 9.931 -1.347 -17.113 717 HG21 VAL 89 HG21 VAL 89 8.213 -4.947 -18.646 718 HG22 VAL 89 HG22 VAL 89 8.160 -4.490 -16.956 719 HG23 VAL 89 HG23 VAL 89 7.106 -3.656 -18.124 720 H THR 90 H THR 90 10.308 -1.934 -21.814 721 HA THR 90 HA THR 90 8.519 -3.367 -23.484 722 HB THR 90 HB THR 90 10.405 -2.997 -25.231 723 HG1 THR 90 HG1 THR 90 11.881 -1.418 -24.584 724 HG21 THR 90 HG21 THR 90 8.408 -1.578 -25.071 725 HG22 THR 90 HG22 THR 90 9.172 -0.611 -23.791 726 HG23 THR 90 HG23 THR 90 9.836 -0.626 -25.451 727 H THR 91 H THR 91 9.103 -4.972 -25.066 728 HA THR 91 HA THR 91 10.122 -7.440 -23.960 729 HB THR 91 HB THR 91 9.641 -8.309 -26.278 730 HG1 THR 91 HG1 THR 91 8.634 -6.914 -27.686 731 HG21 THR 91 HG21 THR 91 7.904 -8.309 -24.512 732 HG22 THR 91 HG22 THR 91 7.385 -6.690 -25.034 733 HG23 THR 91 HG23 THR 91 7.229 -8.079 -26.134 734 H GLU 92 H GLU 92 12.223 -5.461 -23.974 735 HA GLU 92 HA GLU 92 14.324 -6.735 -25.609 736 HB2 GLU 92 HB2 GLU 92 13.106 -4.829 -26.901 737 HB3 GLU 92 HB3 GLU 92 13.840 -3.733 -25.741 738 HG2 GLU 92 HG2 GLU 92 15.106 -3.771 -27.800 739 HG3 GLU 92 HG3 GLU 92 16.095 -4.447 -26.525 740 H GLU 93 H GLU 93 16.511 -5.679 -25.050 741 HA GLU 93 HA GLU 93 17.048 -6.058 -22.340 742 HB2 GLU 93 HB2 GLU 93 18.669 -4.576 -24.439 743 HB3 GLU 93 HB3 GLU 93 19.308 -5.116 -22.889 744 HG2 GLU 93 HG2 GLU 93 18.228 -6.933 -25.074 745 HG3 GLU 93 HG3 GLU 93 19.918 -6.628 -24.728 746 H GLU 94 H GLU 94 15.822 -3.109 -23.616 747 HA GLU 94 HA GLU 94 16.803 -1.305 -21.552 748 HB2 GLU 94 HB2 GLU 94 14.386 -1.135 -23.387 749 HB3 GLU 94 HB3 GLU 94 14.986 0.183 -22.385 750 HG2 GLU 94 HG2 GLU 94 16.543 -1.130 -24.657 751 HG3 GLU 94 HG3 GLU 94 15.656 0.374 -24.764 752 H LEU 95 H LEU 95 14.495 -3.831 -21.454 753 HA LEU 95 HA LEU 95 12.530 -3.127 -19.667 754 HB2 LEU 95 HB2 LEU 95 12.758 -5.260 -20.766 755 HB3 LEU 95 HB3 LEU 95 14.188 -5.682 -19.845 756 HG LEU 95 HG LEU 95 11.553 -5.161 -18.420 757 HD11 LEU 95 HD11 LEU 95 12.401 -7.780 -19.729 758 HD12 LEU 95 HD12 LEU 95 11.018 -7.565 -18.632 759 HD13 LEU 95 HD13 LEU 95 11.025 -6.757 -20.204 760 HD21 LEU 95 HD21 LEU 95 13.513 -5.527 -16.949 761 HD22 LEU 95 HD22 LEU 95 12.430 -6.907 -16.873 762 HD23 LEU 95 HD23 LEU 95 13.910 -7.018 -17.840 763 H ARG 96 H ARG 96 15.865 -4.037 -18.776 764 HA ARG 96 HA ARG 96 15.618 -3.966 -15.950 765 HB2 ARG 96 HB2 ARG 96 18.004 -3.196 -17.680 766 HB3 ARG 96 HB3 ARG 96 18.083 -3.611 -15.974 767 HG2 ARG 96 HG2 ARG 96 17.547 -5.895 -16.349 768 HG3 ARG 96 HG3 ARG 96 17.012 -5.614 -18.013 769 HD2 ARG 96 HD2 ARG 96 19.858 -5.239 -17.035 770 HD3 ARG 96 HD3 ARG 96 19.257 -6.672 -17.878 771 HE ARG 96 HE ARG 96 18.538 -4.685 -19.611 772 HH11 ARG 96 HH11 ARG 96 21.680 -5.442 -18.252 773 HH12 ARG 96 HH12 ARG 96 22.515 -4.586 -19.532 774 HH21 ARG 96 HH21 ARG 96 19.592 -3.631 -21.103 775 HH22 ARG 96 HH22 ARG 96 21.349 -3.580 -21.143 776 H LYS 97 H LYS 97 16.460 -1.339 -18.177 777 HA LYS 97 HA LYS 97 16.851 0.735 -16.191 778 HB2 LYS 97 HB2 LYS 97 16.144 0.964 -19.151 779 HB3 LYS 97 HB3 LYS 97 16.735 2.270 -18.126 780 HG2 LYS 97 HG2 LYS 97 18.895 1.164 -17.846 781 HG3 LYS 97 HG3 LYS 97 18.319 -0.273 -18.719 782 HD2 LYS 97 HD2 LYS 97 17.939 1.096 -20.739 783 HD3 LYS 97 HD3 LYS 97 18.600 2.515 -19.907 784 HE2 LYS 97 HE2 LYS 97 20.776 1.473 -19.702 785 HE3 LYS 97 HE3 LYS 97 20.147 -0.084 -20.239 786 HZ1 LYS 97 HZ1 LYS 97 20.273 2.333 -21.950 787 HZ2 LYS 97 HZ2 LYS 97 21.286 1.049 -22.052 788 HZ3 LYS 97 HZ3 LYS 97 19.704 0.872 -22.396 789 H ALA 98 H ALA 98 14.086 -0.092 -18.318 790 HA ALA 98 HA ALA 98 12.300 1.929 -17.387 791 HB1 ALA 98 HB1 ALA 98 11.720 -0.864 -18.404 792 HB2 ALA 98 HB2 ALA 98 10.565 0.478 -18.335 793 HB3 ALA 98 HB3 ALA 98 11.968 0.571 -19.438 794 H VAL 99 H VAL 99 12.717 -1.455 -16.225 795 HA VAL 99 HA VAL 99 10.724 -1.328 -14.224 796 HB VAL 99 HB VAL 99 13.283 -2.979 -14.414 797 HG11 VAL 99 HG11 VAL 99 12.642 -2.917 -12.023 798 HG12 VAL 99 HG12 VAL 99 10.991 -3.445 -12.468 799 HG13 VAL 99 HG13 VAL 99 12.382 -4.508 -12.727 800 HG21 VAL 99 HG21 VAL 99 11.426 -3.481 -16.104 801 HG22 VAL 99 HG22 VAL 99 11.857 -4.834 -15.056 802 HG23 VAL 99 HG23 VAL 99 10.386 -3.901 -14.735 803 H ALA 100 H ALA 100 14.271 -0.750 -14.004 804 HA ALA 100 HA ALA 100 14.377 -0.092 -11.287 805 HB1 ALA 100 HB1 ALA 100 16.104 0.940 -13.574 806 HB2 ALA 100 HB2 ALA 100 16.524 0.993 -11.852 807 HB3 ALA 100 HB3 ALA 100 16.350 -0.570 -12.663 808 H LYS 101 H LYS 101 13.593 2.048 -14.033 809 HA LYS 101 HA LYS 101 13.609 4.525 -12.798 810 HB2 LYS 101 HB2 LYS 101 13.276 3.841 -15.271 811 HB3 LYS 101 HB3 LYS 101 11.577 3.626 -14.889 812 HG2 LYS 101 HG2 LYS 101 11.936 5.758 -15.943 813 HG3 LYS 101 HG3 LYS 101 11.441 6.051 -14.277 814 HD2 LYS 101 HD2 LYS 101 13.771 6.506 -13.623 815 HD3 LYS 101 HD3 LYS 101 14.340 6.018 -15.230 816 HE2 LYS 101 HE2 LYS 101 13.050 7.882 -16.243 817 HE3 LYS 101 HE3 LYS 101 12.493 8.367 -14.643 818 HZ1 LYS 101 HZ1 LYS 101 14.422 9.675 -15.365 819 HZ2 LYS 101 HZ2 LYS 101 14.822 8.806 -14.047 820 HZ3 LYS 101 HZ3 LYS 101 15.334 8.334 -15.523 821 H ALA 102 H ALA 102 11.102 2.071 -12.377 822 HA ALA 102 HA ALA 102 9.823 3.903 -10.357 823 HB1 ALA 102 HB1 ALA 102 8.609 2.070 -12.371 824 HB2 ALA 102 HB2 ALA 102 7.680 2.809 -11.035 825 HB3 ALA 102 HB3 ALA 102 8.422 3.856 -12.266 826 H ARG 103 H ARG 103 9.946 0.372 -11.245 827 HA ARG 103 HA ARG 103 9.051 -0.488 -8.637 828 HB2 ARG 103 HB2 ARG 103 8.851 -1.810 -10.730 829 HB3 ARG 103 HB3 ARG 103 10.601 -1.933 -10.818 830 HG2 ARG 103 HG2 ARG 103 9.577 -3.990 -10.080 831 HG3 ARG 103 HG3 ARG 103 10.670 -3.379 -8.850 832 HD2 ARG 103 HD2 ARG 103 7.683 -2.821 -8.723 833 HD3 ARG 103 HD3 ARG 103 8.344 -4.375 -8.208 834 HE ARG 103 HE ARG 103 9.761 -2.169 -6.989 835 HH11 ARG 103 HH11 ARG 103 6.934 -4.184 -6.553 836 HH12 ARG 103 HH12 ARG 103 6.958 -3.995 -4.813 837 HH21 ARG 103 HH21 ARG 103 9.706 -1.884 -4.845 838 HH22 ARG 103 HH22 ARG 103 8.526 -2.715 -3.857 839 H GLY 104 H GLY 104 12.105 0.455 -9.895 840 HA2 GLY 104 HA2 GLY 104 13.649 -0.416 -7.482 841 HA3 GLY 104 HA3 GLY 104 14.303 0.573 -8.798 842 H SER 105 H SER 105 12.801 2.732 -9.058 843 HA SER 105 HA SER 105 13.876 4.348 -7.040 844 HB2 SER 105 HB2 SER 105 12.659 6.169 -7.951 845 HB3 SER 105 HB3 SER 105 13.214 5.111 -9.293 846 HG SER 105 HG SER 105 11.209 5.403 -9.806 847 H TRP 106 H TRP 106 10.502 3.308 -7.323 848 HA TRP 106 HA TRP 106 9.314 4.716 -5.318 849 HB2 TRP 106 HB2 TRP 106 8.303 2.991 -6.872 850 HB3 TRP 106 HB3 TRP 106 8.753 1.760 -5.711 851 HD1 TRP 106 HD1 TRP 106 6.151 4.264 -6.565 852 HE1 TRP 106 HE1 TRP 106 4.414 4.566 -4.791 853 HE3 TRP 106 HE3 TRP 106 8.301 1.445 -2.843 854 HZ2 TRP 106 HZ2 TRP 106 4.145 4.046 -1.947 855 HZ3 TRP 106 HZ3 TRP 106 7.276 1.420 -0.585 856 HH2 TRP 106 HH2 TRP 106 5.241 2.748 -0.111 857 H SER 107 H SER 107 11.037 1.620 -4.635 858 HA SER 107 HA SER 107 10.656 1.835 -1.746 859 HB2 SER 107 HB2 SER 107 12.132 -0.159 -1.728 860 HB3 SER 107 HB3 SER 107 10.672 -0.325 -2.744 861 HG SER 107 HG SER 107 12.653 -1.079 -3.732 862 H LEU 108 H LEU 108 12.688 3.316 -3.882 863 HA LEU 108 HA LEU 108 14.811 3.903 -1.918 864 HB2 LEU 108 HB2 LEU 108 14.631 3.633 -4.907 865 HB3 LEU 108 HB3 LEU 108 15.567 5.009 -4.352 866 HG LEU 108 HG LEU 108 17.061 3.534 -3.094 867 HD11 LEU 108 HD11 LEU 108 16.908 1.056 -3.336 868 HD12 LEU 108 HD12 LEU 108 15.600 1.721 -2.351 869 HD13 LEU 108 HD13 LEU 108 15.281 1.250 -4.034 870 HD21 LEU 108 HD21 LEU 108 16.478 2.500 -5.896 871 HD22 LEU 108 HD22 LEU 108 17.442 3.940 -5.506 872 HD23 LEU 108 HD23 LEU 108 18.024 2.334 -5.024 873 H GLU 109 H GLU 109 11.963 5.266 -3.273 874 HA GLU 109 HA GLU 109 12.657 8.048 -2.486 875 HB2 GLU 109 HB2 GLU 109 10.104 6.990 -3.758 876 HB3 GLU 109 HB3 GLU 109 10.562 8.670 -3.519 877 HG2 GLU 109 HG2 GLU 109 12.667 7.713 -5.059 878 HG3 GLU 109 HG3 GLU 109 11.301 6.769 -5.646 879 H HIS 110 H HIS 110 10.071 5.635 -1.803 880 HA HIS 110 HA HIS 110 8.878 7.370 0.243 881 HB2 HIS 110 HB2 HIS 110 8.098 4.677 -0.939 882 HB3 HIS 110 HB3 HIS 110 7.170 5.510 0.302 883 HD2 HIS 110 HD2 HIS 110 7.845 5.577 -3.434 884 HE1 HIS 110 HE1 HIS 110 5.158 8.795 -2.679 885 HE2 HIS 110 HE2 HIS 110 6.279 7.410 -4.494 886 H HIS 111 H HIS 111 11.294 5.055 0.337 887 HA HIS 111 HA HIS 111 10.756 4.294 3.193 888 HB2 HIS 111 HB2 HIS 111 11.799 2.714 0.840 889 HB3 HIS 111 HB3 HIS 111 12.209 2.259 2.487 890 HD2 HIS 111 HD2 HIS 111 10.940 -0.039 2.344 891 HE1 HIS 111 HE1 HIS 111 6.973 1.505 2.142 892 HE2 HIS 111 HE2 HIS 111 8.371 -0.599 2.477 893 H HIS 112 H HIS 112 12.552 3.833 4.474 894 HA HIS 112 HA HIS 112 15.274 4.762 3.867 895 HB2 HIS 112 HB2 HIS 112 13.836 6.795 4.563 896 HB3 HIS 112 HB3 HIS 112 13.755 6.042 6.150 897 HD2 HIS 112 HD2 HIS 112 15.989 6.000 7.592 898 HE1 HIS 112 HE1 HIS 112 18.439 8.341 5.000 899 HE2 HIS 112 HE2 HIS 112 18.275 7.315 7.322 900 H HIS 113 H HIS 113 16.674 4.273 5.897 901 HA HIS 113 HA HIS 113 16.300 1.623 6.823 902 HB2 HIS 113 HB2 HIS 113 18.451 2.882 6.843 903 HB3 HIS 113 HB3 HIS 113 17.852 3.849 8.196 904 HD2 HIS 113 HD2 HIS 113 17.827 2.693 10.608 905 HE1 HIS 113 HE1 HIS 113 19.101 -1.213 9.483 906 HE2 HIS 113 HE2 HIS 113 18.475 0.276 11.431 907 H HIS 114 H HIS 114 15.260 0.682 8.509 908 HA HIS 114 HA HIS 114 13.763 2.328 10.484 909 HB2 HIS 114 HB2 HIS 114 11.638 1.259 9.802 910 HB3 HIS 114 HB3 HIS 114 12.337 2.273 8.567 911 HD2 HIS 114 HD2 HIS 114 13.588 -1.403 8.878 912 HE1 HIS 114 HE1 HIS 114 11.216 -1.152 5.357 913 HE2 HIS 114 HE2 HIS 114 12.784 -2.625 6.708 914 H HIS 115 H HIS 115 15.958 0.415 10.827 915 HA HIS 115 HA HIS 115 14.642 -1.570 12.644 916 HB2 HIS 115 HB2 HIS 115 15.213 -2.624 10.467 917 HB3 HIS 115 HB3 HIS 115 16.899 -2.179 10.703 918 HD2 HIS 115 HD2 HIS 115 18.345 -3.689 12.341 919 HE1 HIS 115 HE1 HIS 115 15.307 -6.458 13.470 920 HE2 HIS 115 HE2 HIS 115 17.796 -5.955 13.574 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -0.210 1.716 -0.538 2 H2 MET 1 H2 MET 1 1.230 2.120 0.126 3 H3 MET 1 H3 MET 1 0.588 0.628 0.392 4 HA MET 1 HA MET 1 1.481 1.662 -2.213 5 HB2 MET 1 HB2 MET 1 3.343 1.183 -0.651 6 HB3 MET 1 HB3 MET 1 2.790 -0.483 -0.484 7 HG2 MET 1 HG2 MET 1 3.506 0.639 -3.214 8 HG3 MET 1 HG3 MET 1 4.737 0.123 -2.092 9 HE1 MET 1 HE1 MET 1 5.249 -3.038 -3.959 10 HE2 MET 1 HE2 MET 1 5.210 -1.361 -4.540 11 HE3 MET 1 HE3 MET 1 5.934 -1.744 -2.958 12 H ARG 2 H ARG 2 1.099 0.442 -3.981 13 HA ARG 2 HA ARG 2 -0.046 -2.239 -3.883 14 HB2 ARG 2 HB2 ARG 2 -2.033 -0.666 -3.717 15 HB3 ARG 2 HB3 ARG 2 -1.512 0.055 -5.222 16 HG2 ARG 2 HG2 ARG 2 -1.914 -1.971 -6.478 17 HG3 ARG 2 HG3 ARG 2 -1.935 -2.968 -5.022 18 HD2 ARG 2 HD2 ARG 2 -4.035 -0.986 -5.879 19 HD3 ARG 2 HD3 ARG 2 -4.159 -2.742 -6.009 20 HE ARG 2 HE ARG 2 -4.745 -1.136 -3.724 21 HH11 ARG 2 HH11 ARG 2 -3.508 -4.385 -4.442 22 HH12 ARG 2 HH12 ARG 2 -3.647 -4.889 -2.798 23 HH21 ARG 2 HH21 ARG 2 -5.045 -1.963 -1.657 24 HH22 ARG 2 HH22 ARG 2 -4.632 -3.630 -1.320 25 H VAL 3 H VAL 3 0.176 -3.292 -5.854 26 HA VAL 3 HA VAL 3 1.920 -1.985 -7.899 27 HB VAL 3 HB VAL 3 2.039 -4.835 -6.818 28 HG11 VAL 3 HG11 VAL 3 4.040 -5.109 -8.259 29 HG12 VAL 3 HG12 VAL 3 2.581 -4.883 -9.221 30 HG13 VAL 3 HG13 VAL 3 3.715 -3.533 -9.013 31 HG21 VAL 3 HG21 VAL 3 4.006 -2.510 -6.661 32 HG22 VAL 3 HG22 VAL 3 3.098 -3.237 -5.314 33 HG23 VAL 3 HG23 VAL 3 4.352 -4.171 -6.142 34 H ILE 4 H ILE 4 1.416 -2.299 -9.979 35 HA ILE 4 HA ILE 4 -0.601 -4.341 -10.771 36 HB ILE 4 HB ILE 4 -0.738 -1.394 -11.282 37 HG12 ILE 4 HG12 ILE 4 -2.470 -3.615 -10.118 38 HG13 ILE 4 HG13 ILE 4 -2.025 -2.087 -9.383 39 HG21 ILE 4 HG21 ILE 4 -2.414 -1.753 -13.020 40 HG22 ILE 4 HG22 ILE 4 -0.855 -2.396 -13.483 41 HG23 ILE 4 HG23 ILE 4 -2.147 -3.515 -12.922 42 HD11 ILE 4 HD11 ILE 4 -4.120 -2.622 -11.519 43 HD12 ILE 4 HD12 ILE 4 -4.351 -1.972 -9.876 44 HD13 ILE 4 HD13 ILE 4 -3.523 -0.997 -11.125 45 H VAL 5 H VAL 5 -0.320 -5.169 -12.683 46 HA VAL 5 HA VAL 5 1.913 -4.175 -14.375 47 HB VAL 5 HB VAL 5 1.459 -7.128 -13.943 48 HG11 VAL 5 HG11 VAL 5 2.288 -6.504 -16.213 49 HG12 VAL 5 HG12 VAL 5 3.635 -5.631 -15.461 50 HG13 VAL 5 HG13 VAL 5 3.498 -7.393 -15.268 51 HG21 VAL 5 HG21 VAL 5 2.520 -6.170 -11.939 52 HG22 VAL 5 HG22 VAL 5 3.673 -7.141 -12.862 53 HG23 VAL 5 HG23 VAL 5 3.748 -5.372 -12.940 54 H VAL 6 H VAL 6 0.992 -3.448 -16.174 55 HA VAL 6 HA VAL 6 -1.414 -4.898 -17.254 56 HB VAL 6 HB VAL 6 -0.491 -2.118 -17.969 57 HG11 VAL 6 HG11 VAL 6 -2.782 -1.986 -18.952 58 HG12 VAL 6 HG12 VAL 6 -1.723 -3.111 -19.781 59 HG13 VAL 6 HG13 VAL 6 -2.967 -3.732 -18.658 60 HG21 VAL 6 HG21 VAL 6 -2.667 -3.120 -16.061 61 HG22 VAL 6 HG22 VAL 6 -1.308 -2.046 -15.671 62 HG23 VAL 6 HG23 VAL 6 -2.633 -1.462 -16.686 63 H ILE 7 H ILE 7 -1.320 -5.751 -19.310 64 HA ILE 7 HA ILE 7 1.236 -5.414 -20.827 65 HB ILE 7 HB ILE 7 -0.244 -8.042 -20.548 66 HG12 ILE 7 HG12 ILE 7 2.005 -8.699 -19.361 67 HG13 ILE 7 HG13 ILE 7 2.127 -6.984 -18.979 68 HG21 ILE 7 HG21 ILE 7 2.309 -7.194 -21.956 69 HG22 ILE 7 HG22 ILE 7 1.986 -8.876 -21.528 70 HG23 ILE 7 HG23 ILE 7 0.882 -8.029 -22.608 71 HD11 ILE 7 HD11 ILE 7 0.151 -7.077 -17.620 72 HD12 ILE 7 HD12 ILE 7 -0.277 -8.696 -18.224 73 HD13 ILE 7 HD13 ILE 7 1.139 -8.480 -17.193 74 H VAL 8 H VAL 8 1.093 -5.233 -23.068 75 HA VAL 8 HA VAL 8 -1.541 -4.929 -24.303 76 HB VAL 8 HB VAL 8 1.184 -5.040 -25.662 77 HG11 VAL 8 HG11 VAL 8 -1.518 -3.954 -26.598 78 HG12 VAL 8 HG12 VAL 8 0.017 -3.851 -27.491 79 HG13 VAL 8 HG13 VAL 8 -0.742 -5.422 -27.209 80 HG21 VAL 8 HG21 VAL 8 1.076 -3.143 -24.062 81 HG22 VAL 8 HG22 VAL 8 0.984 -2.564 -25.724 82 HG23 VAL 8 HG23 VAL 8 -0.492 -2.659 -24.740 83 H GLY 9 H GLY 9 -2.758 -6.727 -24.377 84 HA2 GLY 9 HA2 GLY 9 -2.034 -9.140 -25.835 85 HA3 GLY 9 HA3 GLY 9 -2.010 -9.351 -24.083 86 HA PRO 10 HA PRO 10 -2.949 -11.527 -24.488 87 HB2 PRO 10 HB2 PRO 10 -4.535 -13.532 -25.360 88 HB3 PRO 10 HB3 PRO 10 -4.859 -12.656 -23.842 89 HG2 PRO 10 HG2 PRO 10 -6.100 -12.127 -26.565 90 HG3 PRO 10 HG3 PRO 10 -6.944 -12.404 -25.009 91 HD2 PRO 10 HD2 PRO 10 -6.402 -9.887 -25.937 92 HD3 PRO 10 HD3 PRO 10 -6.326 -10.275 -24.197 93 H SER 11 H SER 11 -3.719 -10.028 -27.394 94 HA SER 11 HA SER 11 -2.223 -12.020 -29.064 95 HB2 SER 11 HB2 SER 11 -4.464 -10.158 -29.884 96 HB3 SER 11 HB3 SER 11 -3.719 -11.431 -30.876 97 HG SER 11 HG SER 11 -4.586 -12.967 -29.486 98 H GLY 12 H GLY 12 -1.532 -9.122 -27.793 99 HA2 GLY 12 HA2 GLY 12 -0.744 -7.684 -30.262 100 HA3 GLY 12 HA3 GLY 12 -0.793 -7.050 -28.632 101 H ALA 13 H ALA 13 0.991 -7.918 -27.089 102 HA ALA 13 HA ALA 13 3.540 -7.481 -28.362 103 HB1 ALA 13 HB1 ALA 13 4.395 -7.643 -26.063 104 HB2 ALA 13 HB2 ALA 13 2.940 -6.633 -26.125 105 HB3 ALA 13 HB3 ALA 13 2.837 -8.299 -25.511 106 H GLY 14 H GLY 14 1.790 -10.390 -27.774 107 HA2 GLY 14 HA2 GLY 14 3.405 -12.250 -29.037 108 HA3 GLY 14 HA3 GLY 14 4.036 -12.204 -27.396 109 H LYS 15 H LYS 15 3.350 -14.452 -27.557 110 HA LYS 15 HA LYS 15 0.473 -14.972 -26.859 111 HB2 LYS 15 HB2 LYS 15 0.679 -17.063 -28.092 112 HB3 LYS 15 HB3 LYS 15 1.080 -15.685 -29.121 113 HG2 LYS 15 HG2 LYS 15 3.530 -16.125 -28.680 114 HG3 LYS 15 HG3 LYS 15 3.064 -17.582 -27.788 115 HD2 LYS 15 HD2 LYS 15 2.131 -18.567 -29.824 116 HD3 LYS 15 HD3 LYS 15 2.326 -17.040 -30.693 117 HE2 LYS 15 HE2 LYS 15 4.142 -18.416 -31.380 118 HE3 LYS 15 HE3 LYS 15 4.789 -17.156 -30.328 119 HZ1 LYS 15 HZ1 LYS 15 4.230 -19.958 -29.520 120 HZ2 LYS 15 HZ2 LYS 15 5.711 -19.327 -29.762 121 HZ3 LYS 15 HZ3 LYS 15 4.808 -18.809 -28.513 122 H THR 16 H THR 16 3.503 -15.072 -25.541 123 HA THR 16 HA THR 16 2.718 -17.014 -23.396 124 HB THR 16 HB THR 16 5.422 -17.046 -24.783 125 HG1 THR 16 HG1 THR 16 3.309 -18.903 -24.982 126 HG21 THR 16 HG21 THR 16 4.174 -18.931 -22.731 127 HG22 THR 16 HG22 THR 16 5.706 -19.211 -23.600 128 HG23 THR 16 HG23 THR 16 5.571 -17.860 -22.476 129 H THR 17 H THR 17 4.845 -14.345 -24.436 130 HA THR 17 HA THR 17 6.179 -13.755 -22.082 131 HB THR 17 HB THR 17 6.602 -12.659 -24.200 132 HG1 THR 17 HG1 THR 17 7.005 -10.653 -23.300 133 HG21 THR 17 HG21 THR 17 4.116 -12.193 -24.785 134 HG22 THR 17 HG22 THR 17 4.254 -10.787 -23.709 135 HG23 THR 17 HG23 THR 17 5.288 -10.909 -25.138 136 H LEU 18 H LEU 18 2.967 -12.361 -22.930 137 HA LEU 18 HA LEU 18 2.465 -11.025 -20.493 138 HB2 LEU 18 HB2 LEU 18 0.169 -10.963 -21.274 139 HB3 LEU 18 HB3 LEU 18 1.284 -10.731 -22.614 140 HG LEU 18 HG LEU 18 0.920 -13.407 -22.904 141 HD11 LEU 18 HD11 LEU 18 -1.424 -13.994 -22.557 142 HD12 LEU 18 HD12 LEU 18 -0.731 -13.540 -20.997 143 HD13 LEU 18 HD13 LEU 18 -1.769 -12.397 -21.874 144 HD21 LEU 18 HD21 LEU 18 0.612 -11.738 -24.635 145 HD22 LEU 18 HD22 LEU 18 -0.802 -12.806 -24.592 146 HD23 LEU 18 HD23 LEU 18 -0.884 -11.175 -23.866 147 H ASP 19 H ASP 19 2.456 -14.353 -21.084 148 HA ASP 19 HA ASP 19 0.505 -15.127 -18.987 149 HB2 ASP 19 HB2 ASP 19 1.509 -16.287 -21.374 150 HB3 ASP 19 HB3 ASP 19 2.185 -17.268 -20.093 151 H GLU 20 H GLU 20 3.954 -15.865 -19.724 152 HA GLU 20 HA GLU 20 4.646 -16.722 -17.118 153 HB2 GLU 20 HB2 GLU 20 6.901 -16.589 -17.760 154 HB3 GLU 20 HB3 GLU 20 5.990 -17.134 -19.163 155 HG2 GLU 20 HG2 GLU 20 6.176 -14.979 -20.226 156 HG3 GLU 20 HG3 GLU 20 6.894 -14.251 -18.785 157 H LEU 21 H LEU 21 4.349 -13.506 -18.472 158 HA LEU 21 HA LEU 21 5.502 -12.037 -16.239 159 HB2 LEU 21 HB2 LEU 21 3.744 -11.411 -18.590 160 HB3 LEU 21 HB3 LEU 21 3.713 -10.298 -17.259 161 HG LEU 21 HG LEU 21 5.296 -9.925 -19.259 162 HD11 LEU 21 HD11 LEU 21 6.816 -8.641 -17.779 163 HD12 LEU 21 HD12 LEU 21 5.168 -8.563 -17.151 164 HD13 LEU 21 HD13 LEU 21 6.350 -9.649 -16.392 165 HD21 LEU 21 HD21 LEU 21 6.618 -12.004 -19.244 166 HD22 LEU 21 HD22 LEU 21 7.621 -10.585 -18.988 167 HD23 LEU 21 HD23 LEU 21 7.208 -11.622 -17.606 168 H ALA 22 H ALA 22 1.989 -12.603 -17.048 169 HA ALA 22 HA ALA 22 1.030 -11.679 -14.614 170 HB1 ALA 22 HB1 ALA 22 -1.006 -12.952 -15.149 171 HB2 ALA 22 HB2 ALA 22 -0.372 -12.119 -16.578 172 HB3 ALA 22 HB3 ALA 22 -0.120 -13.870 -16.385 173 H ARG 23 H ARG 23 2.050 -14.997 -15.374 174 HA ARG 23 HA ARG 23 1.497 -16.292 -12.905 175 HB2 ARG 23 HB2 ARG 23 3.620 -16.723 -15.029 176 HB3 ARG 23 HB3 ARG 23 3.413 -17.820 -13.660 177 HG2 ARG 23 HG2 ARG 23 1.293 -18.546 -14.389 178 HG3 ARG 23 HG3 ARG 23 1.090 -17.181 -15.491 179 HD2 ARG 23 HD2 ARG 23 3.066 -18.037 -16.818 180 HD3 ARG 23 HD3 ARG 23 3.064 -19.484 -15.800 181 HE ARG 23 HE ARG 23 0.934 -18.542 -17.679 182 HH11 ARG 23 HH11 ARG 23 2.151 -21.310 -15.885 183 HH12 ARG 23 HH12 ARG 23 1.109 -22.411 -16.762 184 HH21 ARG 23 HH21 ARG 23 -0.247 -19.874 -18.687 185 HH22 ARG 23 HH22 ARG 23 -0.284 -21.606 -18.346 186 H LYS 24 H LYS 24 4.706 -14.991 -13.930 187 HA LYS 24 HA LYS 24 5.903 -15.409 -11.361 188 HB2 LYS 24 HB2 LYS 24 6.743 -13.732 -13.747 189 HB3 LYS 24 HB3 LYS 24 7.694 -13.847 -12.266 190 HG2 LYS 24 HG2 LYS 24 7.811 -16.296 -12.463 191 HG3 LYS 24 HG3 LYS 24 6.864 -16.262 -13.949 192 HD2 LYS 24 HD2 LYS 24 9.525 -14.820 -13.641 193 HD3 LYS 24 HD3 LYS 24 9.375 -16.492 -14.200 194 HE2 LYS 24 HE2 LYS 24 7.876 -15.724 -16.049 195 HE3 LYS 24 HE3 LYS 24 8.137 -14.056 -15.560 196 HZ1 LYS 24 HZ1 LYS 24 9.621 -14.944 -17.381 197 HZ2 LYS 24 HZ2 LYS 24 10.422 -14.226 -16.143 198 HZ3 LYS 24 HZ3 LYS 24 10.381 -15.854 -16.288 199 H ALA 25 H ALA 25 4.556 -12.381 -12.746 200 HA ALA 25 HA ALA 25 5.091 -10.727 -10.453 201 HB1 ALA 25 HB1 ALA 25 2.822 -10.534 -12.469 202 HB2 ALA 25 HB2 ALA 25 3.457 -9.250 -11.407 203 HB3 ALA 25 HB3 ALA 25 4.456 -9.885 -12.718 204 H LYS 26 H LYS 26 1.829 -12.333 -11.211 205 HA LYS 26 HA LYS 26 0.909 -11.647 -8.673 206 HB2 LYS 26 HB2 LYS 26 -0.384 -12.573 -10.725 207 HB3 LYS 26 HB3 LYS 26 -0.028 -14.168 -10.060 208 HG2 LYS 26 HG2 LYS 26 -2.111 -13.680 -9.087 209 HG3 LYS 26 HG3 LYS 26 -1.004 -13.155 -7.808 210 HD2 LYS 26 HD2 LYS 26 -1.144 -10.823 -9.096 211 HD3 LYS 26 HD3 LYS 26 -2.660 -11.488 -9.704 212 HE2 LYS 26 HE2 LYS 26 -1.791 -11.112 -6.821 213 HE3 LYS 26 HE3 LYS 26 -2.962 -10.132 -7.684 214 HZ1 LYS 26 HZ1 LYS 26 -4.053 -11.734 -6.247 215 HZ2 LYS 26 HZ2 LYS 26 -4.451 -12.033 -7.793 216 HZ3 LYS 26 HZ3 LYS 26 -3.365 -12.992 -7.019 217 H GLU 27 H GLU 27 2.927 -14.478 -9.493 218 HA GLU 27 HA GLU 27 2.747 -15.777 -6.930 219 HB2 GLU 27 HB2 GLU 27 4.767 -15.793 -9.179 220 HB3 GLU 27 HB3 GLU 27 5.150 -16.542 -7.633 221 HG2 GLU 27 HG2 GLU 27 3.216 -18.014 -7.775 222 HG3 GLU 27 HG3 GLU 27 2.620 -17.186 -9.202 223 H GLU 28 H GLU 28 5.218 -13.319 -8.022 224 HA GLU 28 HA GLU 28 6.261 -13.166 -5.289 225 HB2 GLU 28 HB2 GLU 28 7.712 -11.416 -6.046 226 HB3 GLU 28 HB3 GLU 28 7.813 -12.813 -7.109 227 HG2 GLU 28 HG2 GLU 28 6.873 -11.686 -8.910 228 HG3 GLU 28 HG3 GLU 28 5.989 -10.546 -7.912 229 H VAL 29 H VAL 29 3.772 -11.463 -6.984 230 HA VAL 29 HA VAL 29 3.243 -9.714 -4.640 231 HB VAL 29 HB VAL 29 2.721 -7.830 -6.026 232 HG11 VAL 29 HG11 VAL 29 4.955 -7.104 -6.564 233 HG12 VAL 29 HG12 VAL 29 5.025 -8.106 -5.089 234 HG13 VAL 29 HG13 VAL 29 5.522 -8.775 -6.669 235 HG21 VAL 29 HG21 VAL 29 2.401 -9.213 -8.231 236 HG22 VAL 29 HG22 VAL 29 3.196 -7.625 -8.338 237 HG23 VAL 29 HG23 VAL 29 4.154 -9.119 -8.376 238 HA PRO 30 HA PRO 30 -0.538 -12.058 -5.726 239 HB2 PRO 30 HB2 PRO 30 -1.149 -12.830 -3.141 240 HB3 PRO 30 HB3 PRO 30 -0.052 -13.745 -4.229 241 HG2 PRO 30 HG2 PRO 30 0.665 -11.726 -2.080 242 HG3 PRO 30 HG3 PRO 30 1.386 -13.344 -2.362 243 HD2 PRO 30 HD2 PRO 30 2.529 -11.038 -3.308 244 HD3 PRO 30 HD3 PRO 30 2.584 -12.549 -4.272 245 H ASP 31 H ASP 31 0.227 -9.317 -3.933 246 HA ASP 31 HA ASP 31 -2.530 -8.467 -3.233 247 HB2 ASP 31 HB2 ASP 31 -0.213 -8.090 -1.988 248 HB3 ASP 31 HB3 ASP 31 -0.028 -6.771 -3.113 249 H ALA 32 H ALA 32 -0.316 -8.303 -5.859 250 HA ALA 32 HA ALA 32 -0.996 -5.700 -6.891 251 HB1 ALA 32 HB1 ALA 32 0.355 -8.063 -8.244 252 HB2 ALA 32 HB2 ALA 32 0.458 -6.379 -8.764 253 HB3 ALA 32 HB3 ALA 32 1.177 -6.858 -7.209 254 H GLU 33 H GLU 33 -1.697 -5.507 -9.266 255 HA GLU 33 HA GLU 33 -3.723 -7.615 -9.989 256 HB2 GLU 33 HB2 GLU 33 -4.093 -4.845 -11.035 257 HB3 GLU 33 HB3 GLU 33 -5.253 -6.121 -10.809 258 HG2 GLU 33 HG2 GLU 33 -3.989 -4.548 -8.531 259 HG3 GLU 33 HG3 GLU 33 -5.465 -4.097 -9.346 260 H ILE 34 H ILE 34 -2.899 -8.820 -11.550 261 HA ILE 34 HA ILE 34 -1.407 -7.455 -13.696 262 HB ILE 34 HB ILE 34 -1.559 -10.425 -13.402 263 HG12 ILE 34 HG12 ILE 34 -1.081 -9.829 -11.140 264 HG13 ILE 34 HG13 ILE 34 0.293 -10.535 -11.905 265 HG21 ILE 34 HG21 ILE 34 0.035 -8.404 -14.872 266 HG22 ILE 34 HG22 ILE 34 1.010 -9.664 -14.116 267 HG23 ILE 34 HG23 ILE 34 -0.319 -10.067 -15.243 268 HD11 ILE 34 HD11 ILE 34 0.914 -8.709 -10.413 269 HD12 ILE 34 HD12 ILE 34 1.401 -8.354 -12.088 270 HD13 ILE 34 HD13 ILE 34 -0.006 -7.534 -11.374 271 H ARG 35 H ARG 35 -2.362 -7.044 -15.549 272 HA ARG 35 HA ARG 35 -4.426 -8.844 -16.664 273 HB2 ARG 35 HB2 ARG 35 -6.037 -7.008 -17.110 274 HB3 ARG 35 HB3 ARG 35 -5.909 -7.376 -15.421 275 HG2 ARG 35 HG2 ARG 35 -4.389 -5.055 -16.668 276 HG3 ARG 35 HG3 ARG 35 -6.042 -4.998 -16.022 277 HD2 ARG 35 HD2 ARG 35 -4.831 -6.188 -13.935 278 HD3 ARG 35 HD3 ARG 35 -3.470 -5.322 -14.553 279 HE ARG 35 HE ARG 35 -4.858 -3.199 -14.258 280 HH11 ARG 35 HH11 ARG 35 -6.543 -6.058 -13.001 281 HH12 ARG 35 HH12 ARG 35 -7.674 -4.992 -12.172 282 HH21 ARG 35 HH21 ARG 35 -6.444 -2.070 -13.152 283 HH22 ARG 35 HH22 ARG 35 -7.569 -3.029 -12.199 284 H THR 36 H THR 36 -5.200 -8.159 -18.861 285 HA THR 36 HA THR 36 -3.053 -6.725 -20.327 286 HB THR 36 HB THR 36 -3.075 -8.230 -22.143 287 HG1 THR 36 HG1 THR 36 -5.210 -8.835 -22.278 288 HG21 THR 36 HG21 THR 36 -2.076 -10.129 -21.290 289 HG22 THR 36 HG22 THR 36 -1.946 -9.074 -19.875 290 HG23 THR 36 HG23 THR 36 -3.214 -10.296 -19.942 291 H VAL 37 H VAL 37 -3.606 -5.744 -22.325 292 HA VAL 37 HA VAL 37 -6.470 -5.083 -22.843 293 HB VAL 37 HB VAL 37 -6.326 -2.958 -22.483 294 HG11 VAL 37 HG11 VAL 37 -3.665 -3.382 -21.189 295 HG12 VAL 37 HG12 VAL 37 -4.751 -1.968 -21.038 296 HG13 VAL 37 HG13 VAL 37 -5.304 -3.556 -20.452 297 HG21 VAL 37 HG21 VAL 37 -4.382 -1.490 -23.099 298 HG22 VAL 37 HG22 VAL 37 -3.687 -2.870 -23.919 299 HG23 VAL 37 HG23 VAL 37 -5.341 -2.270 -24.369 300 H THR 38 H THR 38 -6.949 -4.522 -24.843 301 HA THR 38 HA THR 38 -4.892 -5.079 -26.991 302 HB THR 38 HB THR 38 -6.156 -7.084 -26.614 303 HG1 THR 38 HG1 THR 38 -5.567 -6.650 -28.727 304 HG21 THR 38 HG21 THR 38 -8.556 -7.244 -27.169 305 HG22 THR 38 HG22 THR 38 -8.225 -6.267 -25.726 306 HG23 THR 38 HG23 THR 38 -8.650 -5.472 -27.263 307 H THR 39 H THR 39 -7.567 -3.124 -26.013 308 HA THR 39 HA THR 39 -7.119 -1.269 -28.285 309 HB THR 39 HB THR 39 -9.782 -1.036 -28.155 310 HG1 THR 39 HG1 THR 39 -10.713 -3.109 -28.006 311 HG21 THR 39 HG21 THR 39 -8.509 -1.566 -30.182 312 HG22 THR 39 HG22 THR 39 -8.505 -3.293 -29.725 313 HG23 THR 39 HG23 THR 39 -10.037 -2.457 -30.079 314 H LYS 40 H LYS 40 -8.358 0.743 -27.998 315 HA LYS 40 HA LYS 40 -7.406 2.141 -25.835 316 HB2 LYS 40 HB2 LYS 40 -8.667 3.981 -26.601 317 HB3 LYS 40 HB3 LYS 40 -8.295 3.049 -28.038 318 HG2 LYS 40 HG2 LYS 40 -10.963 3.172 -26.565 319 HG3 LYS 40 HG3 LYS 40 -10.549 4.020 -28.036 320 HD2 LYS 40 HD2 LYS 40 -10.393 1.882 -29.284 321 HD3 LYS 40 HD3 LYS 40 -10.820 0.992 -27.801 322 HE2 LYS 40 HE2 LYS 40 -12.930 2.375 -27.667 323 HE3 LYS 40 HE3 LYS 40 -12.532 3.048 -29.239 324 HZ1 LYS 40 HZ1 LYS 40 -13.101 0.191 -28.656 325 HZ2 LYS 40 HZ2 LYS 40 -14.021 1.200 -29.519 326 HZ3 LYS 40 HZ3 LYS 40 -12.585 0.728 -30.117 327 H GLU 41 H GLU 41 -10.351 0.371 -26.047 328 HA GLU 41 HA GLU 41 -11.706 1.481 -23.736 329 HB2 GLU 41 HB2 GLU 41 -13.331 -0.337 -24.182 330 HB3 GLU 41 HB3 GLU 41 -12.919 0.606 -25.632 331 HG2 GLU 41 HG2 GLU 41 -11.324 -1.195 -26.305 332 HG3 GLU 41 HG3 GLU 41 -11.885 -2.181 -24.958 333 H ASP 42 H ASP 42 -9.819 -1.502 -24.356 334 HA ASP 42 HA ASP 42 -10.161 -2.553 -21.667 335 HB2 ASP 42 HB2 ASP 42 -8.182 -3.126 -23.884 336 HB3 ASP 42 HB3 ASP 42 -8.176 -3.920 -22.333 337 H ALA 43 H ALA 43 -7.742 -0.518 -23.280 338 HA ALA 43 HA ALA 43 -5.980 -0.293 -20.996 339 HB1 ALA 43 HB1 ALA 43 -5.292 1.846 -22.137 340 HB2 ALA 43 HB2 ALA 43 -5.218 0.374 -23.121 341 HB3 ALA 43 HB3 ALA 43 -6.554 1.537 -23.357 342 H LYS 44 H LYS 44 -8.801 1.607 -22.040 343 HA LYS 44 HA LYS 44 -8.727 3.441 -19.848 344 HB2 LYS 44 HB2 LYS 44 -9.960 3.954 -21.846 345 HB3 LYS 44 HB3 LYS 44 -11.103 2.625 -21.562 346 HG2 LYS 44 HG2 LYS 44 -12.124 3.679 -19.765 347 HG3 LYS 44 HG3 LYS 44 -10.676 4.600 -19.332 348 HD2 LYS 44 HD2 LYS 44 -11.018 5.973 -21.420 349 HD3 LYS 44 HD3 LYS 44 -12.633 5.238 -21.552 350 HE2 LYS 44 HE2 LYS 44 -11.508 6.780 -19.164 351 HE3 LYS 44 HE3 LYS 44 -12.603 7.451 -20.362 352 HZ1 LYS 44 HZ1 LYS 44 -13.283 5.224 -18.508 353 HZ2 LYS 44 HZ2 LYS 44 -13.814 6.746 -18.389 354 HZ3 LYS 44 HZ3 LYS 44 -14.283 5.817 -19.649 355 H ARG 45 H ARG 45 -10.478 0.400 -20.214 356 HA ARG 45 HA ARG 45 -11.834 0.142 -17.739 357 HB2 ARG 45 HB2 ARG 45 -12.314 -1.211 -19.644 358 HB3 ARG 45 HB3 ARG 45 -10.634 -1.715 -19.782 359 HG2 ARG 45 HG2 ARG 45 -10.922 -3.048 -17.645 360 HG3 ARG 45 HG3 ARG 45 -12.663 -2.716 -17.786 361 HD2 ARG 45 HD2 ARG 45 -12.610 -3.679 -20.111 362 HD3 ARG 45 HD3 ARG 45 -10.878 -3.970 -19.933 363 HE ARG 45 HE ARG 45 -12.346 -5.206 -17.796 364 HH11 ARG 45 HH11 ARG 45 -11.441 -5.808 -21.169 365 HH12 ARG 45 HH12 ARG 45 -11.749 -7.513 -21.014 366 HH21 ARG 45 HH21 ARG 45 -12.692 -7.388 -17.711 367 HH22 ARG 45 HH22 ARG 45 -12.397 -8.381 -19.118 368 H VAL 46 H VAL 46 -8.667 -1.360 -18.594 369 HA VAL 46 HA VAL 46 -8.250 -2.313 -15.944 370 HB VAL 46 HB VAL 46 -6.001 -2.749 -16.496 371 HG11 VAL 46 HG11 VAL 46 -7.759 -3.420 -18.904 372 HG12 VAL 46 HG12 VAL 46 -6.317 -4.296 -18.368 373 HG13 VAL 46 HG13 VAL 46 -7.782 -4.273 -17.362 374 HG21 VAL 46 HG21 VAL 46 -4.954 -2.261 -18.622 375 HG22 VAL 46 HG22 VAL 46 -6.306 -1.163 -19.021 376 HG23 VAL 46 HG23 VAL 46 -5.234 -0.817 -17.639 377 H ALA 47 H ALA 47 -7.238 0.745 -17.430 378 HA ALA 47 HA ALA 47 -5.755 1.561 -15.102 379 HB1 ALA 47 HB1 ALA 47 -5.405 3.573 -16.294 380 HB2 ALA 47 HB2 ALA 47 -5.436 2.285 -17.509 381 HB3 ALA 47 HB3 ALA 47 -6.858 3.320 -17.320 382 H GLU 48 H GLU 48 -9.007 2.628 -16.320 383 HA GLU 48 HA GLU 48 -9.637 4.228 -14.072 384 HB2 GLU 48 HB2 GLU 48 -11.812 4.334 -14.868 385 HB3 GLU 48 HB3 GLU 48 -10.803 4.200 -16.308 386 HG2 GLU 48 HG2 GLU 48 -11.286 1.695 -16.261 387 HG3 GLU 48 HG3 GLU 48 -12.367 1.955 -14.946 388 H GLU 49 H GLU 49 -9.440 0.770 -14.325 389 HA GLU 49 HA GLU 49 -10.901 0.280 -11.812 390 HB2 GLU 49 HB2 GLU 49 -10.201 -1.485 -13.822 391 HB3 GLU 49 HB3 GLU 49 -8.828 -1.644 -12.794 392 HG2 GLU 49 HG2 GLU 49 -10.531 -1.914 -10.813 393 HG3 GLU 49 HG3 GLU 49 -11.724 -2.181 -12.075 394 H ALA 50 H ALA 50 -7.462 0.345 -12.862 395 HA ALA 50 HA ALA 50 -6.216 -0.153 -10.388 396 HB1 ALA 50 HB1 ALA 50 -4.280 1.024 -11.391 397 HB2 ALA 50 HB2 ALA 50 -5.014 -0.170 -12.505 398 HB3 ALA 50 HB3 ALA 50 -5.317 1.580 -12.709 399 H GLU 51 H GLU 51 -7.544 2.961 -11.578 400 HA GLU 51 HA GLU 51 -6.347 4.413 -9.331 401 HB2 GLU 51 HB2 GLU 51 -7.485 6.335 -10.140 402 HB3 GLU 51 HB3 GLU 51 -6.883 5.422 -11.536 403 HG2 GLU 51 HG2 GLU 51 -9.061 4.573 -12.051 404 HG3 GLU 51 HG3 GLU 51 -9.766 5.232 -10.585 405 H ARG 52 H ARG 52 -8.993 2.422 -9.555 406 HA ARG 52 HA ARG 52 -10.600 3.595 -7.354 407 HB2 ARG 52 HB2 ARG 52 -10.840 0.728 -8.315 408 HB3 ARG 52 HB3 ARG 52 -12.051 1.717 -7.519 409 HG2 ARG 52 HG2 ARG 52 -10.923 2.101 -10.299 410 HG3 ARG 52 HG3 ARG 52 -12.502 1.406 -9.950 411 HD2 ARG 52 HD2 ARG 52 -11.621 4.274 -9.380 412 HD3 ARG 52 HD3 ARG 52 -12.655 3.774 -10.703 413 HE ARG 52 HE ARG 52 -13.403 4.114 -7.887 414 HH11 ARG 52 HH11 ARG 52 -14.446 2.683 -10.915 415 HH12 ARG 52 HH12 ARG 52 -16.128 2.670 -10.424 416 HH21 ARG 52 HH21 ARG 52 -15.542 4.019 -7.315 417 HH22 ARG 52 HH22 ARG 52 -16.721 3.392 -8.443 418 H ARG 53 H ARG 53 -8.316 0.978 -7.754 419 HA ARG 53 HA ARG 53 -8.170 0.454 -4.827 420 HB2 ARG 53 HB2 ARG 53 -6.970 -1.593 -5.474 421 HB3 ARG 53 HB3 ARG 53 -8.554 -1.489 -6.234 422 HG2 ARG 53 HG2 ARG 53 -6.635 -0.298 -8.054 423 HG3 ARG 53 HG3 ARG 53 -5.923 -1.785 -7.463 424 HD2 ARG 53 HD2 ARG 53 -8.722 -1.576 -8.637 425 HD3 ARG 53 HD3 ARG 53 -7.300 -2.131 -9.526 426 HE ARG 53 HE ARG 53 -7.122 -3.906 -7.631 427 HH11 ARG 53 HH11 ARG 53 -10.280 -2.837 -8.708 428 HH12 ARG 53 HH12 ARG 53 -11.013 -4.359 -8.236 429 HH21 ARG 53 HH21 ARG 53 -8.008 -5.687 -7.149 430 HH22 ARG 53 HH22 ARG 53 -9.735 -5.971 -7.326 431 H ASN 54 H ASN 54 -6.611 2.276 -7.064 432 HA ASN 54 HA ASN 54 -4.942 3.783 -6.839 433 HB2 ASN 54 HB2 ASN 54 -5.523 2.998 -4.020 434 HB3 ASN 54 HB3 ASN 54 -4.159 4.085 -4.345 435 HD21 ASN 54 HD21 ASN 54 -8.081 5.159 -5.155 436 HD22 ASN 54 HD22 ASN 54 -7.669 3.531 -4.706 437 H ALA 55 H ALA 55 -4.065 1.942 -8.105 438 HA ALA 55 HA ALA 55 -1.872 0.397 -7.215 439 HB1 ALA 55 HB1 ALA 55 -2.419 1.521 -9.970 440 HB2 ALA 55 HB2 ALA 55 -1.352 0.160 -9.525 441 HB3 ALA 55 HB3 ALA 55 -3.112 0.044 -9.231 442 H ASP 56 H ASP 56 -0.508 1.612 -5.883 443 HA ASP 56 HA ASP 56 0.610 4.091 -6.304 444 HB2 ASP 56 HB2 ASP 56 0.846 2.127 -4.415 445 HB3 ASP 56 HB3 ASP 56 2.453 2.056 -5.102 446 H ILE 57 H ILE 57 1.684 0.995 -7.625 447 HA ILE 57 HA ILE 57 3.486 2.404 -9.534 448 HB ILE 57 HB ILE 57 4.201 -0.373 -8.601 449 HG12 ILE 57 HG12 ILE 57 4.855 2.112 -6.988 450 HG13 ILE 57 HG13 ILE 57 3.943 0.692 -6.455 451 HG21 ILE 57 HG21 ILE 57 5.313 0.814 -10.539 452 HG22 ILE 57 HG22 ILE 57 5.892 2.032 -9.383 453 HG23 ILE 57 HG23 ILE 57 6.440 0.347 -9.262 454 HD11 ILE 57 HD11 ILE 57 6.909 0.803 -7.027 455 HD12 ILE 57 HD12 ILE 57 6.083 0.555 -5.480 456 HD13 ILE 57 HD13 ILE 57 5.986 -0.702 -6.740 457 H VAL 58 H VAL 58 2.993 2.022 -11.556 458 HA VAL 58 HA VAL 58 1.482 -0.410 -12.395 459 HB VAL 58 HB VAL 58 0.706 1.375 -14.238 460 HG11 VAL 58 HG11 VAL 58 -0.527 0.968 -11.506 461 HG12 VAL 58 HG12 VAL 58 -1.349 1.704 -12.901 462 HG13 VAL 58 HG13 VAL 58 -0.815 0.032 -13.014 463 HG21 VAL 58 HG21 VAL 58 1.953 3.245 -12.998 464 HG22 VAL 58 HG22 VAL 58 0.235 3.517 -13.329 465 HG23 VAL 58 HG23 VAL 58 0.812 3.065 -11.684 466 H VAL 59 H VAL 59 3.090 -1.623 -13.030 467 HA VAL 59 HA VAL 59 5.135 -0.787 -14.983 468 HB VAL 59 HB VAL 59 4.377 -3.465 -13.762 469 HG11 VAL 59 HG11 VAL 59 6.553 -4.280 -14.671 470 HG12 VAL 59 HG12 VAL 59 5.417 -3.863 -15.961 471 HG13 VAL 59 HG13 VAL 59 6.723 -2.734 -15.545 472 HG21 VAL 59 HG21 VAL 59 5.425 -1.854 -12.170 473 HG22 VAL 59 HG22 VAL 59 6.430 -3.271 -12.479 474 HG23 VAL 59 HG23 VAL 59 6.828 -1.728 -13.265 475 H ILE 60 H ILE 60 4.282 -0.321 -16.974 476 HA ILE 60 HA ILE 60 2.172 -2.022 -18.159 477 HB ILE 60 HB ILE 60 3.719 0.193 -19.472 478 HG12 ILE 60 HG12 ILE 60 2.697 1.182 -17.362 479 HG13 ILE 60 HG13 ILE 60 2.213 1.908 -18.869 480 HG21 ILE 60 HG21 ILE 60 1.028 -1.083 -20.027 481 HG22 ILE 60 HG22 ILE 60 1.585 0.415 -20.800 482 HG23 ILE 60 HG23 ILE 60 2.481 -1.097 -21.047 483 HD11 ILE 60 HD11 ILE 60 0.571 -0.090 -17.287 484 HD12 ILE 60 HD12 ILE 60 0.363 1.681 -17.328 485 HD13 ILE 60 HD13 ILE 60 0.072 0.742 -18.796 486 H VAL 61 H VAL 61 2.655 -3.513 -19.777 487 HA VAL 61 HA VAL 61 5.493 -3.914 -20.658 488 HB VAL 61 HB VAL 61 3.360 -6.018 -20.394 489 HG11 VAL 61 HG11 VAL 61 6.386 -6.228 -20.758 490 HG12 VAL 61 HG12 VAL 61 5.278 -7.591 -20.535 491 HG13 VAL 61 HG13 VAL 61 5.152 -6.599 -21.984 492 HG21 VAL 61 HG21 VAL 61 4.478 -6.836 -18.389 493 HG22 VAL 61 HG22 VAL 61 5.636 -5.491 -18.441 494 HG23 VAL 61 HG23 VAL 61 3.911 -5.189 -18.112 495 H GLY 62 H GLY 62 5.779 -3.660 -22.797 496 HA2 GLY 62 HA2 GLY 62 3.744 -4.460 -24.765 497 HA3 GLY 62 HA3 GLY 62 4.116 -2.730 -24.710 498 HA PRO 63 HA PRO 63 7.078 -5.182 -27.463 499 HB2 PRO 63 HB2 PRO 63 6.661 -3.775 -29.801 500 HB3 PRO 63 HB3 PRO 63 5.748 -5.232 -29.320 501 HG2 PRO 63 HG2 PRO 63 4.910 -2.335 -29.077 502 HG3 PRO 63 HG3 PRO 63 3.922 -3.747 -29.557 503 HD2 PRO 63 HD2 PRO 63 3.872 -2.683 -27.027 504 HD3 PRO 63 HD3 PRO 63 3.646 -4.424 -27.333 505 H SER 64 H SER 64 6.500 -1.802 -28.259 506 HA SER 64 HA SER 64 8.647 -0.533 -26.877 507 HB2 SER 64 HB2 SER 64 9.094 -1.106 -29.839 508 HB3 SER 64 HB3 SER 64 9.829 0.288 -29.020 509 HG SER 64 HG SER 64 10.111 -2.323 -28.036 510 H GLY 65 H GLY 65 8.786 1.811 -27.512 511 HA2 GLY 65 HA2 GLY 65 6.141 2.955 -27.877 512 HA3 GLY 65 HA3 GLY 65 7.651 3.823 -27.684 513 H SER 66 H SER 66 5.904 4.875 -29.320 514 HA SER 66 HA SER 66 5.652 5.906 -31.285 515 HB2 SER 66 HB2 SER 66 8.470 4.960 -31.861 516 HB3 SER 66 HB3 SER 66 7.636 6.317 -32.635 517 HG SER 66 HG SER 66 8.985 6.988 -30.909 518 H GLY 67 H GLY 67 5.683 2.586 -31.492 519 HA2 GLY 67 HA2 GLY 67 5.475 2.354 -34.435 520 HA3 GLY 67 HA3 GLY 67 5.271 1.074 -33.233 521 H LYS 68 H LYS 68 3.420 1.021 -31.968 522 HA LYS 68 HA LYS 68 0.844 2.038 -33.041 523 HB2 LYS 68 HB2 LYS 68 0.050 -0.215 -33.571 524 HB3 LYS 68 HB3 LYS 68 1.480 0.175 -34.500 525 HG2 LYS 68 HG2 LYS 68 2.097 -1.912 -33.884 526 HG3 LYS 68 HG3 LYS 68 2.741 -1.064 -32.468 527 HD2 LYS 68 HD2 LYS 68 0.984 -1.715 -31.083 528 HD3 LYS 68 HD3 LYS 68 -0.026 -2.285 -32.434 529 HE2 LYS 68 HE2 LYS 68 2.650 -3.513 -31.612 530 HE3 LYS 68 HE3 LYS 68 1.088 -4.083 -31.027 531 HZ1 LYS 68 HZ1 LYS 68 1.789 -5.389 -32.913 532 HZ2 LYS 68 HZ2 LYS 68 0.468 -4.546 -33.344 533 HZ3 LYS 68 HZ3 LYS 68 1.944 -4.076 -33.864 534 H SER 69 H SER 69 2.617 1.458 -30.404 535 HA SER 69 HA SER 69 0.999 -0.254 -28.764 536 HB2 SER 69 HB2 SER 69 2.808 0.456 -27.059 537 HB3 SER 69 HB3 SER 69 3.308 -0.397 -28.518 538 HG SER 69 HG SER 69 4.649 1.270 -28.444 539 H THR 70 H THR 70 -0.396 2.207 -29.664 540 HA THR 70 HA THR 70 -0.523 4.309 -27.871 541 HB THR 70 HB THR 70 -3.042 3.181 -29.079 542 HG1 THR 70 HG1 THR 70 -2.390 4.137 -31.042 543 HG21 THR 70 HG21 THR 70 -3.190 5.323 -27.820 544 HG22 THR 70 HG22 THR 70 -1.944 6.028 -28.873 545 HG23 THR 70 HG23 THR 70 -3.524 5.550 -29.544 546 H LEU 71 H LEU 71 -2.221 1.175 -27.548 547 HA LEU 71 HA LEU 71 -3.928 1.789 -25.414 548 HB2 LEU 71 HB2 LEU 71 -2.530 -0.879 -25.719 549 HB3 LEU 71 HB3 LEU 71 -4.141 -0.534 -25.117 550 HG LEU 71 HG LEU 71 -4.669 -1.477 -27.057 551 HD11 LEU 71 HD11 LEU 71 -4.312 1.320 -28.233 552 HD12 LEU 71 HD12 LEU 71 -5.475 0.088 -28.687 553 HD13 LEU 71 HD13 LEU 71 -5.587 0.884 -27.090 554 HD21 LEU 71 HD21 LEU 71 -3.513 -1.448 -29.145 555 HD22 LEU 71 HD22 LEU 71 -2.384 -0.199 -28.611 556 HD23 LEU 71 HD23 LEU 71 -2.356 -1.820 -27.866 557 H ALA 72 H ALA 72 -0.498 0.985 -25.333 558 HA ALA 72 HA ALA 72 -0.230 0.681 -22.467 559 HB1 ALA 72 HB1 ALA 72 2.191 0.798 -22.956 560 HB2 ALA 72 HB2 ALA 72 1.383 -0.283 -24.102 561 HB3 ALA 72 HB3 ALA 72 1.868 1.352 -24.593 562 H LYS 73 H LYS 73 0.333 3.447 -24.720 563 HA LYS 73 HA LYS 73 0.866 5.230 -22.490 564 HB2 LYS 73 HB2 LYS 73 1.115 7.043 -23.991 565 HB3 LYS 73 HB3 LYS 73 2.019 5.633 -24.498 566 HG2 LYS 73 HG2 LYS 73 1.265 5.993 -26.529 567 HG3 LYS 73 HG3 LYS 73 -0.274 5.353 -25.994 568 HD2 LYS 73 HD2 LYS 73 0.521 8.300 -26.040 569 HD3 LYS 73 HD3 LYS 73 -0.441 7.464 -27.261 570 HE2 LYS 73 HE2 LYS 73 -2.166 6.962 -25.506 571 HE3 LYS 73 HE3 LYS 73 -1.243 7.942 -24.363 572 HZ1 LYS 73 HZ1 LYS 73 -2.990 9.260 -25.413 573 HZ2 LYS 73 HZ2 LYS 73 -1.548 9.840 -25.884 574 HZ3 LYS 73 HZ3 LYS 73 -2.430 8.920 -26.903 575 H ILE 74 H ILE 74 -2.111 4.322 -24.087 576 HA ILE 74 HA ILE 74 -3.769 6.376 -22.926 577 HB ILE 74 HB ILE 74 -4.380 3.546 -23.813 578 HG12 ILE 74 HG12 ILE 74 -5.285 6.200 -25.001 579 HG13 ILE 74 HG13 ILE 74 -3.801 5.435 -25.504 580 HG21 ILE 74 HG21 ILE 74 -6.364 5.660 -22.856 581 HG22 ILE 74 HG22 ILE 74 -6.784 4.101 -23.598 582 HG23 ILE 74 HG23 ILE 74 -6.005 4.136 -22.025 583 HD11 ILE 74 HD11 ILE 74 -5.543 4.867 -27.088 584 HD12 ILE 74 HD12 ILE 74 -5.147 3.385 -26.211 585 HD13 ILE 74 HD13 ILE 74 -6.606 4.292 -25.791 586 H VAL 75 H VAL 75 -2.961 3.033 -21.673 587 HA VAL 75 HA VAL 75 -4.162 3.431 -19.128 588 HB VAL 75 HB VAL 75 -1.718 1.784 -19.915 589 HG11 VAL 75 HG11 VAL 75 -3.468 1.476 -17.412 590 HG12 VAL 75 HG12 VAL 75 -2.104 0.455 -17.890 591 HG13 VAL 75 HG13 VAL 75 -1.832 2.143 -17.406 592 HG21 VAL 75 HG21 VAL 75 -4.616 0.978 -19.596 593 HG22 VAL 75 HG22 VAL 75 -3.641 0.999 -21.104 594 HG23 VAL 75 HG23 VAL 75 -3.251 -0.143 -19.848 595 H LYS 76 H LYS 76 -0.746 4.050 -20.092 596 HA LYS 76 HA LYS 76 0.065 5.174 -17.611 597 HB2 LYS 76 HB2 LYS 76 1.643 4.465 -19.289 598 HB3 LYS 76 HB3 LYS 76 1.089 5.700 -20.422 599 HG2 LYS 76 HG2 LYS 76 2.232 7.400 -19.441 600 HG3 LYS 76 HG3 LYS 76 2.021 6.761 -17.810 601 HD2 LYS 76 HD2 LYS 76 4.405 6.777 -18.523 602 HD3 LYS 76 HD3 LYS 76 3.800 5.193 -18.065 603 HE2 LYS 76 HE2 LYS 76 5.180 4.847 -19.888 604 HE3 LYS 76 HE3 LYS 76 3.548 4.569 -20.446 605 HZ1 LYS 76 HZ1 LYS 76 3.634 6.786 -21.520 606 HZ2 LYS 76 HZ2 LYS 76 5.158 7.019 -20.961 607 HZ3 LYS 76 HZ3 LYS 76 4.856 5.816 -22.014 608 H LYS 77 H LYS 77 -1.672 6.772 -20.218 609 HA LYS 77 HA LYS 77 -1.487 9.420 -18.947 610 HB2 LYS 77 HB2 LYS 77 -3.153 8.293 -21.223 611 HB3 LYS 77 HB3 LYS 77 -3.471 9.894 -20.573 612 HG2 LYS 77 HG2 LYS 77 -0.736 9.071 -21.623 613 HG3 LYS 77 HG3 LYS 77 -1.988 9.847 -22.606 614 HD2 LYS 77 HD2 LYS 77 -1.984 11.794 -21.054 615 HD3 LYS 77 HD3 LYS 77 -0.665 11.046 -20.128 616 HE2 LYS 77 HE2 LYS 77 0.750 11.033 -22.151 617 HE3 LYS 77 HE3 LYS 77 -0.553 11.762 -23.082 618 HZ1 LYS 77 HZ1 LYS 77 0.766 13.042 -20.756 619 HZ2 LYS 77 HZ2 LYS 77 1.038 13.428 -22.314 620 HZ3 LYS 77 HZ3 LYS 77 -0.426 13.716 -21.647 621 H ILE 78 H ILE 78 -3.861 6.764 -18.754 622 HA ILE 78 HA ILE 78 -5.676 8.324 -17.117 623 HB ILE 78 HB ILE 78 -5.403 5.328 -17.402 624 HG12 ILE 78 HG12 ILE 78 -6.608 7.396 -19.073 625 HG13 ILE 78 HG13 ILE 78 -6.205 5.726 -19.406 626 HG21 ILE 78 HG21 ILE 78 -7.549 6.985 -16.002 627 HG22 ILE 78 HG22 ILE 78 -7.687 5.249 -16.327 628 HG23 ILE 78 HG23 ILE 78 -6.444 5.819 -15.244 629 HD11 ILE 78 HD11 ILE 78 -8.786 6.700 -18.138 630 HD12 ILE 78 HD12 ILE 78 -8.562 6.094 -19.788 631 HD13 ILE 78 HD13 ILE 78 -8.363 4.992 -18.408 632 H ILE 79 H ILE 79 -2.879 6.219 -16.263 633 HA ILE 79 HA ILE 79 -3.489 6.694 -13.428 634 HB ILE 79 HB ILE 79 -1.245 5.002 -14.547 635 HG12 ILE 79 HG12 ILE 79 -3.374 4.115 -15.370 636 HG13 ILE 79 HG13 ILE 79 -2.671 3.079 -14.150 637 HG21 ILE 79 HG21 ILE 79 -0.758 5.412 -12.306 638 HG22 ILE 79 HG22 ILE 79 -2.468 5.459 -11.802 639 HG23 ILE 79 HG23 ILE 79 -1.696 3.918 -12.191 640 HD11 ILE 79 HD11 ILE 79 -5.115 3.330 -13.911 641 HD12 ILE 79 HD12 ILE 79 -4.281 3.890 -12.451 642 HD13 ILE 79 HD13 ILE 79 -4.947 5.060 -13.614 643 H ALA 80 H ALA 80 -1.135 7.991 -15.730 644 HA ALA 80 HA ALA 80 0.643 9.030 -13.873 645 HB1 ALA 80 HB1 ALA 80 -0.273 10.210 -16.532 646 HB2 ALA 80 HB2 ALA 80 1.123 10.797 -15.625 647 HB3 ALA 80 HB3 ALA 80 1.116 9.133 -16.255 648 H ARG 81 H ARG 81 -2.507 10.289 -14.876 649 HA ARG 81 HA ARG 81 -2.382 12.694 -13.196 650 HB2 ARG 81 HB2 ARG 81 -4.634 13.138 -14.090 651 HB3 ARG 81 HB3 ARG 81 -3.487 12.776 -15.362 652 HG2 ARG 81 HG2 ARG 81 -5.232 11.488 -16.095 653 HG3 ARG 81 HG3 ARG 81 -4.371 10.304 -15.105 654 HD2 ARG 81 HD2 ARG 81 -6.741 10.089 -14.780 655 HD3 ARG 81 HD3 ARG 81 -5.959 10.541 -13.296 656 HE ARG 81 HE ARG 81 -7.029 12.626 -13.306 657 HH11 ARG 81 HH11 ARG 81 -8.626 14.052 -13.868 658 HH12 ARG 81 HH12 ARG 81 -9.489 13.842 -15.366 659 HH21 ARG 81 HH21 ARG 81 -7.760 11.036 -16.347 660 HH22 ARG 81 HH22 ARG 81 -8.998 12.205 -16.756 661 H ALA 82 H ALA 82 -3.480 9.394 -12.858 662 HA ALA 82 HA ALA 82 -5.439 9.817 -10.819 663 HB1 ALA 82 HB1 ALA 82 -3.695 7.372 -11.306 664 HB2 ALA 82 HB2 ALA 82 -5.227 7.414 -10.428 665 HB3 ALA 82 HB3 ALA 82 -5.220 7.731 -12.172 666 H GLY 83 H GLY 83 -1.998 9.729 -10.781 667 HA2 GLY 83 HA2 GLY 83 -0.985 11.049 -8.937 668 HA3 GLY 83 HA3 GLY 83 -1.994 10.136 -7.808 669 H ALA 84 H ALA 84 -0.419 8.338 -10.396 670 HA ALA 84 HA ALA 84 1.529 7.189 -8.427 671 HB1 ALA 84 HB1 ALA 84 -0.285 5.692 -8.494 672 HB2 ALA 84 HB2 ALA 84 -0.498 5.891 -10.246 673 HB3 ALA 84 HB3 ALA 84 0.911 5.013 -9.626 674 H LYS 85 H LYS 85 3.108 5.713 -9.528 675 HA LYS 85 HA LYS 85 4.255 7.106 -11.883 676 HB2 LYS 85 HB2 LYS 85 6.389 6.103 -11.223 677 HB3 LYS 85 HB3 LYS 85 5.656 7.074 -9.933 678 HG2 LYS 85 HG2 LYS 85 4.785 4.970 -8.892 679 HG3 LYS 85 HG3 LYS 85 5.507 4.041 -10.178 680 HD2 LYS 85 HD2 LYS 85 6.824 3.954 -8.134 681 HD3 LYS 85 HD3 LYS 85 7.784 4.697 -9.403 682 HE2 LYS 85 HE2 LYS 85 6.268 6.405 -7.388 683 HE3 LYS 85 HE3 LYS 85 7.765 5.626 -6.940 684 HZ1 LYS 85 HZ1 LYS 85 7.450 7.696 -9.017 685 HZ2 LYS 85 HZ2 LYS 85 8.366 7.729 -7.666 686 HZ3 LYS 85 HZ3 LYS 85 8.806 6.776 -8.895 687 H THR 86 H THR 86 4.215 6.257 -13.704 688 HA THR 86 HA THR 86 3.655 3.353 -14.124 689 HB THR 86 HB THR 86 2.868 5.455 -16.176 690 HG1 THR 86 HG1 THR 86 2.003 6.361 -14.345 691 HG21 THR 86 HG21 THR 86 0.705 3.940 -16.098 692 HG22 THR 86 HG22 THR 86 2.151 3.563 -17.067 693 HG23 THR 86 HG23 THR 86 1.863 2.755 -15.501 694 H ILE 87 H ILE 87 4.814 2.201 -15.482 695 HA ILE 87 HA ILE 87 6.901 3.605 -17.110 696 HB ILE 87 HB ILE 87 8.527 1.800 -16.393 697 HG12 ILE 87 HG12 ILE 87 6.855 0.279 -15.437 698 HG13 ILE 87 HG13 ILE 87 8.347 0.532 -14.520 699 HG21 ILE 87 HG21 ILE 87 7.677 3.887 -14.379 700 HG22 ILE 87 HG22 ILE 87 9.229 2.990 -14.401 701 HG23 ILE 87 HG23 ILE 87 8.809 4.075 -15.729 702 HD11 ILE 87 HD11 ILE 87 6.922 0.625 -12.781 703 HD12 ILE 87 HD12 ILE 87 6.642 2.323 -13.299 704 HD13 ILE 87 HD13 ILE 87 5.542 1.050 -13.820 705 H GLU 88 H GLU 88 7.996 2.146 -18.616 706 HA GLU 88 HA GLU 88 6.085 0.149 -19.780 707 HB2 GLU 88 HB2 GLU 88 7.494 2.422 -21.198 708 HB3 GLU 88 HB3 GLU 88 6.952 0.967 -22.051 709 HG2 GLU 88 HG2 GLU 88 4.642 1.351 -21.287 710 HG3 GLU 88 HG3 GLU 88 5.147 2.831 -20.481 711 H VAL 89 H VAL 89 7.174 -1.628 -19.075 712 HA VAL 89 HA VAL 89 10.065 -1.936 -19.597 713 HB VAL 89 HB VAL 89 10.098 -3.715 -18.111 714 HG11 VAL 89 HG11 VAL 89 9.865 -1.563 -16.989 715 HG12 VAL 89 HG12 VAL 89 8.091 -1.679 -17.027 716 HG13 VAL 89 HG13 VAL 89 9.026 -2.811 -16.056 717 HG21 VAL 89 HG21 VAL 89 8.162 -5.077 -18.697 718 HG22 VAL 89 HG22 VAL 89 8.113 -4.695 -16.983 719 HG23 VAL 89 HG23 VAL 89 7.062 -3.798 -18.103 720 H THR 90 H THR 90 10.537 -2.402 -21.683 721 HA THR 90 HA THR 90 8.583 -3.594 -23.429 722 HB THR 90 HB THR 90 10.610 -3.582 -25.061 723 HG1 THR 90 HG1 THR 90 12.218 -2.137 -24.385 724 HG21 THR 90 HG21 THR 90 9.615 -0.966 -23.860 725 HG22 THR 90 HG22 THR 90 10.324 -1.206 -25.479 726 HG23 THR 90 HG23 THR 90 8.770 -1.943 -25.082 727 H THR 91 H THR 91 9.146 -5.344 -24.958 728 HA THR 91 HA THR 91 9.884 -7.829 -23.637 729 HB THR 91 HB THR 91 9.436 -8.815 -25.906 730 HG1 THR 91 HG1 THR 91 8.641 -7.470 -27.472 731 HG21 THR 91 HG21 THR 91 7.030 -8.395 -25.907 732 HG22 THR 91 HG22 THR 91 7.612 -8.541 -24.242 733 HG23 THR 91 HG23 THR 91 7.242 -6.940 -24.910 734 H GLU 92 H GLU 92 12.056 -5.832 -23.813 735 HA GLU 92 HA GLU 92 14.174 -7.357 -25.203 736 HB2 GLU 92 HB2 GLU 92 13.056 -4.745 -26.087 737 HB3 GLU 92 HB3 GLU 92 14.789 -4.699 -25.869 738 HG2 GLU 92 HG2 GLU 92 13.306 -6.731 -27.574 739 HG3 GLU 92 HG3 GLU 92 14.130 -5.297 -28.166 740 H GLU 93 H GLU 93 16.368 -6.113 -24.794 741 HA GLU 93 HA GLU 93 16.899 -6.485 -22.082 742 HB2 GLU 93 HB2 GLU 93 19.139 -5.822 -22.535 743 HB3 GLU 93 HB3 GLU 93 18.532 -6.736 -23.903 744 HG2 GLU 93 HG2 GLU 93 18.228 -4.663 -25.203 745 HG3 GLU 93 HG3 GLU 93 18.694 -3.688 -23.817 746 H GLU 94 H GLU 94 15.535 -3.607 -23.274 747 HA GLU 94 HA GLU 94 16.527 -1.811 -21.172 748 HB2 GLU 94 HB2 GLU 94 14.275 -1.572 -23.202 749 HB3 GLU 94 HB3 GLU 94 14.748 -0.295 -22.075 750 HG2 GLU 94 HG2 GLU 94 17.019 -0.242 -23.060 751 HG3 GLU 94 HG3 GLU 94 16.560 -1.498 -24.204 752 H LEU 95 H LEU 95 14.214 -4.322 -21.209 753 HA LEU 95 HA LEU 95 12.087 -3.566 -19.632 754 HB2 LEU 95 HB2 LEU 95 12.600 -5.763 -20.713 755 HB3 LEU 95 HB3 LEU 95 13.713 -6.154 -19.422 756 HG LEU 95 HG LEU 95 10.708 -5.689 -19.096 757 HD11 LEU 95 HD11 LEU 95 12.282 -8.291 -19.258 758 HD12 LEU 95 HD12 LEU 95 10.536 -8.133 -18.927 759 HD13 LEU 95 HD13 LEU 95 11.184 -7.651 -20.499 760 HD21 LEU 95 HD21 LEU 95 11.834 -5.395 -16.941 761 HD22 LEU 95 HD22 LEU 95 11.027 -6.956 -16.948 762 HD23 LEU 95 HD23 LEU 95 12.786 -6.881 -17.195 763 H ARG 96 H ARG 96 15.161 -4.821 -18.334 764 HA ARG 96 HA ARG 96 14.788 -4.317 -15.580 765 HB2 ARG 96 HB2 ARG 96 17.295 -4.410 -15.472 766 HB3 ARG 96 HB3 ARG 96 16.497 -5.774 -16.252 767 HG2 ARG 96 HG2 ARG 96 17.039 -4.844 -18.484 768 HG3 ARG 96 HG3 ARG 96 17.865 -3.471 -17.721 769 HD2 ARG 96 HD2 ARG 96 19.524 -4.954 -16.774 770 HD3 ARG 96 HD3 ARG 96 18.617 -6.381 -17.318 771 HE ARG 96 HE ARG 96 19.043 -4.903 -19.635 772 HH11 ARG 96 HH11 ARG 96 21.183 -6.420 -17.305 773 HH12 ARG 96 HH12 ARG 96 22.445 -6.675 -18.491 774 HH21 ARG 96 HH21 ARG 96 20.706 -5.204 -21.086 775 HH22 ARG 96 HH22 ARG 96 22.162 -6.018 -20.582 776 H LYS 97 H LYS 97 15.967 -2.032 -18.035 777 HA LYS 97 HA LYS 97 16.778 0.011 -16.130 778 HB2 LYS 97 HB2 LYS 97 17.645 -0.251 -18.501 779 HB3 LYS 97 HB3 LYS 97 16.077 0.286 -19.089 780 HG2 LYS 97 HG2 LYS 97 17.579 2.125 -19.186 781 HG3 LYS 97 HG3 LYS 97 16.408 2.471 -17.912 782 HD2 LYS 97 HD2 LYS 97 18.061 1.874 -16.186 783 HD3 LYS 97 HD3 LYS 97 19.204 1.345 -17.441 784 HE2 LYS 97 HE2 LYS 97 19.175 3.673 -18.378 785 HE3 LYS 97 HE3 LYS 97 18.133 4.171 -17.051 786 HZ1 LYS 97 HZ1 LYS 97 20.475 4.650 -16.586 787 HZ2 LYS 97 HZ2 LYS 97 19.931 3.554 -15.509 788 HZ3 LYS 97 HZ3 LYS 97 20.882 3.084 -16.750 789 H ALA 98 H ALA 98 13.859 -0.456 -18.135 790 HA ALA 98 HA ALA 98 12.384 1.797 -17.149 791 HB1 ALA 98 HB1 ALA 98 10.438 0.487 -17.993 792 HB2 ALA 98 HB2 ALA 98 11.757 0.618 -19.195 793 HB3 ALA 98 HB3 ALA 98 11.520 -0.888 -18.269 794 H VAL 99 H VAL 99 12.489 -1.627 -16.024 795 HA VAL 99 HA VAL 99 10.572 -1.357 -13.980 796 HB VAL 99 HB VAL 99 13.034 -3.151 -14.214 797 HG11 VAL 99 HG11 VAL 99 10.899 -3.433 -12.081 798 HG12 VAL 99 HG12 VAL 99 12.230 -4.561 -12.411 799 HG13 VAL 99 HG13 VAL 99 12.600 -2.961 -11.783 800 HG21 VAL 99 HG21 VAL 99 11.104 -3.616 -15.732 801 HG22 VAL 99 HG22 VAL 99 11.447 -4.944 -14.612 802 HG23 VAL 99 HG23 VAL 99 10.071 -3.857 -14.304 803 H ALA 100 H ALA 100 14.131 -0.980 -13.821 804 HA ALA 100 HA ALA 100 14.314 -0.283 -11.127 805 HB1 ALA 100 HB1 ALA 100 16.083 0.623 -13.440 806 HB2 ALA 100 HB2 ALA 100 16.512 0.670 -11.721 807 HB3 ALA 100 HB3 ALA 100 16.235 -0.891 -12.521 808 H LYS 101 H LYS 101 13.626 1.826 -13.885 809 HA LYS 101 HA LYS 101 13.737 4.339 -12.677 810 HB2 LYS 101 HB2 LYS 101 13.404 3.573 -15.172 811 HB3 LYS 101 HB3 LYS 101 11.692 3.601 -14.794 812 HG2 LYS 101 HG2 LYS 101 12.284 5.652 -15.867 813 HG3 LYS 101 HG3 LYS 101 11.920 6.034 -14.183 814 HD2 LYS 101 HD2 LYS 101 14.335 6.176 -13.667 815 HD3 LYS 101 HD3 LYS 101 14.727 5.655 -15.322 816 HE2 LYS 101 HE2 LYS 101 13.578 7.671 -16.210 817 HE3 LYS 101 HE3 LYS 101 13.208 8.186 -14.567 818 HZ1 LYS 101 HZ1 LYS 101 15.596 8.350 -14.145 819 HZ2 LYS 101 HZ2 LYS 101 15.953 7.848 -15.655 820 HZ3 LYS 101 HZ3 LYS 101 15.203 9.277 -15.430 821 H ALA 102 H ALA 102 11.164 1.969 -12.210 822 HA ALA 102 HA ALA 102 9.944 3.921 -10.276 823 HB1 ALA 102 HB1 ALA 102 8.656 2.043 -12.222 824 HB2 ALA 102 HB2 ALA 102 7.751 2.835 -10.910 825 HB3 ALA 102 HB3 ALA 102 8.512 3.827 -12.183 826 H ARG 103 H ARG 103 9.894 0.340 -10.987 827 HA ARG 103 HA ARG 103 9.030 -0.436 -8.341 828 HB2 ARG 103 HB2 ARG 103 10.622 -1.856 -10.503 829 HB3 ARG 103 HB3 ARG 103 10.225 -2.631 -8.991 830 HG2 ARG 103 HG2 ARG 103 7.827 -1.415 -10.218 831 HG3 ARG 103 HG3 ARG 103 8.608 -2.547 -11.315 832 HD2 ARG 103 HD2 ARG 103 7.946 -3.182 -8.416 833 HD3 ARG 103 HD3 ARG 103 6.860 -3.546 -9.767 834 HE ARG 103 HE ARG 103 9.369 -4.668 -10.423 835 HH11 ARG 103 HH11 ARG 103 6.883 -5.337 -7.984 836 HH12 ARG 103 HH12 ARG 103 7.402 -7.031 -7.931 837 HH21 ARG 103 HH21 ARG 103 9.869 -6.858 -10.162 838 HH22 ARG 103 HH22 ARG 103 8.898 -7.780 -9.018 839 H GLY 104 H GLY 104 12.094 0.368 -9.665 840 HA2 GLY 104 HA2 GLY 104 13.670 -0.293 -7.226 841 HA3 GLY 104 HA3 GLY 104 14.278 0.646 -8.599 842 H SER 105 H SER 105 12.876 2.761 -8.939 843 HA SER 105 HA SER 105 13.894 4.523 -7.072 844 HB2 SER 105 HB2 SER 105 11.512 4.966 -8.899 845 HB3 SER 105 HB3 SER 105 12.419 6.245 -8.075 846 HG SER 105 HG SER 105 13.087 5.785 -10.264 847 H TRP 106 H TRP 106 10.530 3.268 -7.141 848 HA TRP 106 HA TRP 106 9.340 4.844 -5.199 849 HB2 TRP 106 HB2 TRP 106 8.347 3.086 -6.717 850 HB3 TRP 106 HB3 TRP 106 8.864 1.863 -5.575 851 HD1 TRP 106 HD1 TRP 106 6.078 4.297 -6.197 852 HE1 TRP 106 HE1 TRP 106 4.421 4.316 -4.343 853 HE3 TRP 106 HE3 TRP 106 8.625 1.349 -2.865 854 HZ2 TRP 106 HZ2 TRP 106 4.310 3.445 -1.535 855 HZ3 TRP 106 HZ3 TRP 106 7.777 1.036 -0.593 856 HH2 TRP 106 HH2 TRP 106 5.624 2.101 0.116 857 H SER 107 H SER 107 11.092 1.759 -4.584 858 HA SER 107 HA SER 107 10.771 1.966 -1.697 859 HB2 SER 107 HB2 SER 107 12.441 0.119 -3.442 860 HB3 SER 107 HB3 SER 107 12.264 -0.052 -1.686 861 HG SER 107 HG SER 107 10.783 -1.342 -2.931 862 H LEU 108 H LEU 108 12.795 3.554 -3.878 863 HA LEU 108 HA LEU 108 14.976 4.012 -1.962 864 HB2 LEU 108 HB2 LEU 108 14.634 3.887 -4.885 865 HB3 LEU 108 HB3 LEU 108 15.254 5.451 -4.421 866 HG LEU 108 HG LEU 108 17.153 4.334 -3.257 867 HD11 LEU 108 HD11 LEU 108 15.892 1.754 -4.307 868 HD12 LEU 108 HD12 LEU 108 17.515 1.889 -3.597 869 HD13 LEU 108 HD13 LEU 108 16.086 2.186 -2.597 870 HD21 LEU 108 HD21 LEU 108 18.205 3.441 -5.321 871 HD22 LEU 108 HD22 LEU 108 16.599 3.362 -6.089 872 HD23 LEU 108 HD23 LEU 108 17.285 4.936 -5.641 873 H GLU 109 H GLU 109 12.180 5.598 -3.403 874 HA GLU 109 HA GLU 109 12.703 8.271 -2.384 875 HB2 GLU 109 HB2 GLU 109 9.992 7.065 -3.022 876 HB3 GLU 109 HB3 GLU 109 10.432 8.763 -2.954 877 HG2 GLU 109 HG2 GLU 109 12.150 7.895 -4.924 878 HG3 GLU 109 HG3 GLU 109 10.815 6.767 -5.129 879 H HIS 110 H HIS 110 10.750 5.512 -1.264 880 HA HIS 110 HA HIS 110 9.866 6.800 1.198 881 HB2 HIS 110 HB2 HIS 110 9.526 4.045 -0.029 882 HB3 HIS 110 HB3 HIS 110 8.982 4.395 1.604 883 HD2 HIS 110 HD2 HIS 110 8.123 5.210 -2.046 884 HE1 HIS 110 HE1 HIS 110 5.062 6.966 0.340 885 HE2 HIS 110 HE2 HIS 110 5.774 6.399 -2.031 886 H HIS 111 H HIS 111 12.822 6.409 0.706 887 HA HIS 111 HA HIS 111 13.583 5.010 3.256 888 HB2 HIS 111 HB2 HIS 111 13.722 3.676 1.059 889 HB3 HIS 111 HB3 HIS 111 15.146 4.654 0.721 890 HD2 HIS 111 HD2 HIS 111 15.416 1.621 0.959 891 HE1 HIS 111 HE1 HIS 111 16.801 2.072 4.965 892 HE2 HIS 111 HE2 HIS 111 16.708 0.489 2.977 893 H HIS 112 H HIS 112 16.003 5.362 3.623 894 HA HIS 112 HA HIS 112 17.639 6.750 4.386 895 HB2 HIS 112 HB2 HIS 112 17.485 7.839 1.563 896 HB3 HIS 112 HB3 HIS 112 18.895 7.832 2.619 897 HD2 HIS 112 HD2 HIS 112 19.660 5.164 3.421 898 HE1 HIS 112 HE1 HIS 112 18.391 3.457 -0.268 899 HE2 HIS 112 HE2 HIS 112 19.775 3.069 1.831 900 H HIS 113 H HIS 113 15.209 7.729 5.226 901 HA HIS 113 HA HIS 113 14.501 10.334 4.590 902 HB2 HIS 113 HB2 HIS 113 14.166 9.302 7.404 903 HB3 HIS 113 HB3 HIS 113 13.038 10.222 6.416 904 HD2 HIS 113 HD2 HIS 113 11.888 8.673 4.289 905 HE1 HIS 113 HE1 HIS 113 12.495 4.948 6.265 906 HE2 HIS 113 HE2 HIS 113 11.312 6.098 4.350 907 H HIS 114 H HIS 114 16.786 9.328 7.098 908 HA HIS 114 HA HIS 114 18.290 11.772 7.132 909 HB2 HIS 114 HB2 HIS 114 17.838 12.437 9.470 910 HB3 HIS 114 HB3 HIS 114 16.422 12.626 8.465 911 HD2 HIS 114 HD2 HIS 114 14.243 11.335 9.161 912 HE1 HIS 114 HE1 HIS 114 15.811 9.106 12.430 913 HE2 HIS 114 HE2 HIS 114 13.692 9.759 11.193 914 H HIS 115 H HIS 115 19.868 11.667 9.138 915 HA HIS 115 HA HIS 115 20.502 9.000 10.139 916 HB2 HIS 115 HB2 HIS 115 22.749 8.892 9.284 917 HB3 HIS 115 HB3 HIS 115 21.643 9.006 7.928 918 HD2 HIS 115 HD2 HIS 115 21.529 11.523 6.683 919 HE1 HIS 115 HE1 HIS 115 25.430 12.669 7.945 920 HE2 HIS 115 HE2 HIS 115 23.534 13.202 6.343
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