NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
631696 | 6f55 | 34211 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 -20.623 8.393 7.771 2 HA MET 1 HA MET 1 -18.566 7.255 5.974 3 HB2 MET 1 HB2 MET 1 -19.029 10.152 6.828 4 HB3 MET 1 HB3 MET 1 -17.567 9.549 6.026 5 HG2 MET 1 HG2 MET 1 -18.833 8.841 4.096 6 HG3 MET 1 HG3 MET 1 -20.349 9.345 4.854 7 HE1 MET 1 HE1 MET 1 -16.767 11.243 4.611 8 HE2 MET 1 HE2 MET 1 -17.066 10.362 3.094 9 HE3 MET 1 HE3 MET 1 -17.096 12.138 3.117 10 H LYS 2 H LYS 2 -17.441 5.942 7.347 11 HA LYS 2 HA LYS 2 -16.436 7.152 9.902 12 HB2 LYS 2 HB2 LYS 2 -17.503 4.373 9.296 13 HB3 LYS 2 HB3 LYS 2 -16.480 4.715 10.687 14 HG2 LYS 2 HG2 LYS 2 -18.081 5.996 11.770 15 HG3 LYS 2 HG3 LYS 2 -18.875 6.503 10.290 16 HD2 LYS 2 HD2 LYS 2 -20.317 5.057 11.581 17 HD3 LYS 2 HD3 LYS 2 -19.951 4.361 9.996 18 HE2 LYS 2 HE2 LYS 2 -18.374 2.786 10.973 19 HE3 LYS 2 HE3 LYS 2 -18.454 3.601 12.540 20 HZ1 LYS 2 HZ1 LYS 2 -20.680 2.877 12.825 21 HZ2 LYS 2 HZ2 LYS 2 -19.783 1.578 12.448 22 HZ3 LYS 2 HZ3 LYS 2 -20.766 2.237 11.300 23 H VAL 3 H VAL 3 -15.720 4.944 7.141 24 HA VAL 3 HA VAL 3 -12.862 5.559 7.596 25 HB VAL 3 HB VAL 3 -13.822 2.732 7.043 26 HG11 VAL 3 HG11 VAL 3 -11.594 3.311 6.103 27 HG12 VAL 3 HG12 VAL 3 -11.087 3.937 7.691 28 HG13 VAL 3 HG13 VAL 3 -11.429 2.209 7.470 29 HG21 VAL 3 HG21 VAL 3 -14.384 3.232 9.371 30 HG22 VAL 3 HG22 VAL 3 -12.960 2.199 9.319 31 HG23 VAL 3 HG23 VAL 3 -12.769 3.930 9.638 32 HA PRO 4 HA PRO 4 -14.246 6.183 3.229 33 HB2 PRO 4 HB2 PRO 4 -12.993 8.559 2.734 34 HB3 PRO 4 HB3 PRO 4 -14.543 8.474 3.627 35 HG2 PRO 4 HG2 PRO 4 -11.739 8.654 4.765 36 HG3 PRO 4 HG3 PRO 4 -13.167 9.644 5.204 37 HD2 PRO 4 HD2 PRO 4 -12.396 7.458 6.653 38 HD3 PRO 4 HD3 PRO 4 -14.122 7.875 6.441 39 H GLY 5 H GLY 5 -12.597 6.445 1.201 40 HA2 GLY 5 HA2 GLY 5 -10.500 4.546 1.595 41 HA3 GLY 5 HA3 GLY 5 -10.815 5.562 0.165 42 H VAL 6 H VAL 6 -8.308 4.894 2.098 43 HA VAL 6 HA VAL 6 -7.540 7.747 2.611 44 HB VAL 6 HB VAL 6 -6.097 5.167 3.295 45 HG11 VAL 6 HG11 VAL 6 -5.653 7.986 4.318 46 HG12 VAL 6 HG12 VAL 6 -4.814 6.530 4.873 47 HG13 VAL 6 HG13 VAL 6 -4.594 7.090 3.213 48 HG21 VAL 6 HG21 VAL 6 -6.919 5.631 5.652 49 HG22 VAL 6 HG22 VAL 6 -8.061 6.786 4.930 50 HG23 VAL 6 HG23 VAL 6 -8.153 5.068 4.515 51 H ARG 7 H ARG 7 -6.654 8.698 0.880 52 HA ARG 7 HA ARG 7 -5.816 7.223 -1.464 53 HB2 ARG 7 HB2 ARG 7 -6.980 9.419 -1.491 54 HB3 ARG 7 HB3 ARG 7 -5.603 10.162 -0.675 55 HG2 ARG 7 HG2 ARG 7 -4.181 9.450 -2.697 56 HG3 ARG 7 HG3 ARG 7 -5.702 8.999 -3.484 57 HD2 ARG 7 HD2 ARG 7 -6.540 11.335 -3.052 58 HD3 ARG 7 HD3 ARG 7 -4.954 11.728 -2.331 59 HE ARG 7 HE ARG 7 -4.716 10.658 -5.008 60 HH11 ARG 7 HH11 ARG 7 -5.803 13.617 -3.389 61 HH12 ARG 7 HH12 ARG 7 -5.490 14.592 -4.815 62 HH21 ARG 7 HH21 ARG 7 -3.930 11.988 -6.627 63 HH22 ARG 7 HH22 ARG 7 -4.094 13.719 -6.513 64 H VAL 8 H VAL 8 -3.866 6.247 -1.686 65 HA VAL 8 HA VAL 8 -1.462 7.718 -0.717 66 HB VAL 8 HB VAL 8 -0.355 5.649 -0.025 67 HG11 VAL 8 HG11 VAL 8 -2.860 6.313 1.541 68 HG12 VAL 8 HG12 VAL 8 -1.506 5.298 2.118 69 HG13 VAL 8 HG13 VAL 8 -1.240 6.977 1.726 70 HG21 VAL 8 HG21 VAL 8 -2.966 4.313 -0.676 71 HG22 VAL 8 HG22 VAL 8 -1.316 3.953 -1.202 72 HG23 VAL 8 HG23 VAL 8 -1.764 3.613 0.463 73 H ARG 9 H ARG 9 0.503 7.070 -1.827 74 HA ARG 9 HA ARG 9 0.019 6.020 -4.559 75 HB2 ARG 9 HB2 ARG 9 0.098 8.430 -4.614 76 HB3 ARG 9 HB3 ARG 9 1.572 8.485 -3.631 77 HG2 ARG 9 HG2 ARG 9 2.883 7.511 -5.442 78 HG3 ARG 9 HG3 ARG 9 1.403 7.127 -6.335 79 HD2 ARG 9 HD2 ARG 9 2.194 9.040 -7.404 80 HD3 ARG 9 HD3 ARG 9 0.898 9.630 -6.362 81 HE ARG 9 HE ARG 9 3.350 9.858 -4.939 82 HH11 ARG 9 HH11 ARG 9 1.727 11.225 -7.808 83 HH12 ARG 9 HH12 ARG 9 2.534 12.761 -7.659 84 HH21 ARG 9 HH21 ARG 9 4.528 11.757 -4.893 85 HH22 ARG 9 HH22 ARG 9 4.231 13.075 -5.962 86 H ALA 10 H ALA 10 1.569 4.610 -5.272 87 HA ALA 10 HA ALA 10 3.464 3.680 -3.220 88 HB1 ALA 10 HB1 ALA 10 3.286 2.683 -6.073 89 HB2 ALA 10 HB2 ALA 10 4.142 1.946 -4.707 90 HB3 ALA 10 HB3 ALA 10 2.378 2.019 -4.676 91 H LEU 11 H LEU 11 5.573 3.867 -3.113 92 HA LEU 11 HA LEU 11 6.882 6.043 -4.566 93 HB2 LEU 11 HB2 LEU 11 7.882 4.069 -2.471 94 HB3 LEU 11 HB3 LEU 11 8.773 5.475 -3.033 95 HG LEU 11 HG LEU 11 6.082 5.621 -1.586 96 HD11 LEU 11 HD11 LEU 11 8.897 6.039 -0.494 97 HD12 LEU 11 HD12 LEU 11 7.817 4.683 -0.130 98 HD13 LEU 11 HD13 LEU 11 7.376 6.311 0.388 99 HD21 LEU 11 HD21 LEU 11 6.546 7.623 -2.987 100 HD22 LEU 11 HD22 LEU 11 8.132 7.786 -2.228 101 HD23 LEU 11 HD23 LEU 11 6.673 8.015 -1.259 102 H TYR 12 H TYR 12 6.520 2.653 -5.074 103 HA TYR 12 HA TYR 12 8.444 2.652 -7.238 104 HB2 TYR 12 HB2 TYR 12 8.729 0.166 -5.682 105 HB3 TYR 12 HB3 TYR 12 9.935 1.131 -6.505 106 HD1 TYR 12 HD1 TYR 12 8.033 0.658 -3.401 107 HD2 TYR 12 HD2 TYR 12 11.361 2.775 -5.181 108 HE1 TYR 12 HE1 TYR 12 8.863 1.324 -1.142 109 HE2 TYR 12 HE2 TYR 12 12.017 3.571 -3.000 110 HH TYR 12 HH TYR 12 10.337 2.766 0.010 111 H ASP 13 H ASP 13 8.227 0.321 -8.254 112 HA ASP 13 HA ASP 13 5.301 -0.230 -8.632 113 HB2 ASP 13 HB2 ASP 13 6.535 0.670 -10.559 114 HB3 ASP 13 HB3 ASP 13 7.733 -0.607 -10.433 115 H TYR 14 H TYR 14 4.743 -1.974 -7.338 116 HA TYR 14 HA TYR 14 6.371 -4.442 -7.422 117 HB2 TYR 14 HB2 TYR 14 5.837 -2.726 -5.060 118 HB3 TYR 14 HB3 TYR 14 5.281 -4.364 -4.832 119 HD1 TYR 14 HD1 TYR 14 6.807 -5.879 -3.832 120 HD2 TYR 14 HD2 TYR 14 8.332 -2.593 -6.194 121 HE1 TYR 14 HE1 TYR 14 9.100 -6.676 -3.451 122 HE2 TYR 14 HE2 TYR 14 10.619 -3.382 -5.811 123 HH TYR 14 HH TYR 14 11.934 -5.119 -5.011 124 H THR 15 H THR 15 5.037 -6.414 -6.977 125 HA THR 15 HA THR 15 2.125 -5.913 -7.256 126 HB THR 15 HB THR 15 3.083 -6.193 -9.442 127 HG1 THR 15 HG1 THR 15 1.804 -8.330 -9.815 128 HG21 THR 15 HG21 THR 15 3.982 -9.010 -8.735 129 HG22 THR 15 HG22 THR 15 5.055 -7.622 -9.013 130 HG23 THR 15 HG23 THR 15 4.013 -8.221 -10.313 131 H GLY 16 H GLY 16 1.964 -6.311 -5.041 132 HA2 GLY 16 HA2 GLY 16 1.534 -7.612 -3.201 133 HA3 GLY 16 HA3 GLY 16 1.067 -8.829 -4.412 134 H GLN 17 H GLN 17 1.745 -10.369 -2.768 135 HA GLN 17 HA GLN 17 4.593 -11.011 -3.030 136 HB2 GLN 17 HB2 GLN 17 4.151 -9.950 -0.758 137 HB3 GLN 17 HB3 GLN 17 3.136 -11.361 -0.398 138 HG2 GLN 17 HG2 GLN 17 5.427 -11.475 0.548 139 HG3 GLN 17 HG3 GLN 17 5.027 -12.839 -0.485 140 HE21 GLN 17 HE21 GLN 17 7.280 -13.331 -0.853 141 HE22 GLN 17 HE22 GLN 17 8.166 -12.374 -2.027 142 H GLU 18 H GLU 18 1.249 -11.932 -3.031 143 HA GLU 18 HA GLU 18 1.886 -14.562 -4.030 144 HB2 GLU 18 HB2 GLU 18 -0.195 -14.136 -1.839 145 HB3 GLU 18 HB3 GLU 18 0.217 -15.632 -2.639 146 HG2 GLU 18 HG2 GLU 18 2.513 -15.515 -1.622 147 HG3 GLU 18 HG3 GLU 18 1.971 -14.108 -0.681 148 H ALA 19 H ALA 19 -0.506 -15.399 -4.725 149 HA ALA 19 HA ALA 19 -1.494 -13.511 -6.637 150 HB1 ALA 19 HB1 ALA 19 -2.705 -16.161 -5.727 151 HB2 ALA 19 HB2 ALA 19 -2.986 -15.335 -7.269 152 HB3 ALA 19 HB3 ALA 19 -1.385 -16.019 -6.908 153 H ASP 20 H ASP 20 -2.242 -13.515 -3.341 154 HA ASP 20 HA ASP 20 -5.118 -12.783 -3.712 155 HB2 ASP 20 HB2 ASP 20 -3.401 -13.650 -1.370 156 HB3 ASP 20 HB3 ASP 20 -4.915 -12.790 -1.104 157 H GLU 21 H GLU 21 -2.163 -11.278 -3.736 158 HA GLU 21 HA GLU 21 -3.017 -8.873 -2.229 159 HB2 GLU 21 HB2 GLU 21 -0.421 -9.971 -3.358 160 HB3 GLU 21 HB3 GLU 21 -0.574 -8.290 -2.829 161 HG2 GLU 21 HG2 GLU 21 0.485 -9.811 -1.209 162 HG3 GLU 21 HG3 GLU 21 -0.860 -8.868 -0.587 163 H LEU 22 H LEU 22 -2.718 -6.841 -3.216 164 HA LEU 22 HA LEU 22 -3.803 -6.524 -5.888 165 HB2 LEU 22 HB2 LEU 22 -2.689 -4.620 -3.775 166 HB3 LEU 22 HB3 LEU 22 -3.400 -4.045 -5.270 167 HG LEU 22 HG LEU 22 -5.105 -5.834 -3.596 168 HD11 LEU 22 HD11 LEU 22 -5.825 -3.851 -2.239 169 HD12 LEU 22 HD12 LEU 22 -4.458 -2.954 -2.904 170 HD13 LEU 22 HD13 LEU 22 -4.170 -4.367 -1.891 171 HD21 LEU 22 HD21 LEU 22 -5.722 -3.244 -5.054 172 HD22 LEU 22 HD22 LEU 22 -6.891 -4.378 -4.374 173 HD23 LEU 22 HD23 LEU 22 -5.897 -4.857 -5.762 174 H SER 23 H SER 23 -2.810 -5.117 -7.464 175 HA SER 23 HA SER 23 0.176 -5.078 -7.416 176 HB2 SER 23 HB2 SER 23 -0.999 -6.683 -9.038 177 HB3 SER 23 HB3 SER 23 -1.672 -5.250 -9.839 178 HG SER 23 HG SER 23 0.850 -6.326 -9.746 179 H PHE 24 H PHE 24 1.037 -2.982 -7.586 180 HA PHE 24 HA PHE 24 -0.761 -0.900 -8.748 181 HB2 PHE 24 HB2 PHE 24 -0.015 0.692 -7.104 182 HB3 PHE 24 HB3 PHE 24 -0.987 -0.590 -6.433 183 HD1 PHE 24 HD1 PHE 24 2.720 -0.011 -7.030 184 HD2 PHE 24 HD2 PHE 24 -0.387 -1.116 -4.250 185 HE1 PHE 24 HE1 PHE 24 4.429 -0.496 -5.307 186 HE2 PHE 24 HE2 PHE 24 1.316 -1.419 -2.487 187 HZ PHE 24 HZ PHE 24 3.734 -1.185 -3.030 188 H LYS 25 H LYS 25 0.591 1.045 -9.400 189 HA LYS 25 HA LYS 25 3.182 0.122 -10.583 190 HB2 LYS 25 HB2 LYS 25 0.859 1.696 -11.714 191 HB3 LYS 25 HB3 LYS 25 2.476 2.158 -12.189 192 HG2 LYS 25 HG2 LYS 25 1.597 0.691 -13.837 193 HG3 LYS 25 HG3 LYS 25 2.906 -0.143 -12.996 194 HD2 LYS 25 HD2 LYS 25 1.291 -1.437 -11.706 195 HD3 LYS 25 HD3 LYS 25 -0.074 -0.564 -12.432 196 HE2 LYS 25 HE2 LYS 25 0.288 -1.532 -14.565 197 HE3 LYS 25 HE3 LYS 25 1.952 -1.996 -14.173 198 HZ1 LYS 25 HZ1 LYS 25 1.066 -3.634 -12.633 199 HZ2 LYS 25 HZ2 LYS 25 0.501 -3.899 -14.174 200 HZ3 LYS 25 HZ3 LYS 25 -0.477 -3.233 -13.053 201 H ALA 26 H ALA 26 4.774 1.924 -10.836 202 HA ALA 26 HA ALA 26 5.070 3.337 -8.346 203 HB1 ALA 26 HB1 ALA 26 6.950 4.477 -9.524 204 HB2 ALA 26 HB2 ALA 26 7.057 2.720 -9.638 205 HB3 ALA 26 HB3 ALA 26 6.493 3.666 -11.035 206 H GLY 27 H GLY 27 3.915 5.111 -7.762 207 HA2 GLY 27 HA2 GLY 27 3.199 7.305 -7.999 208 HA3 GLY 27 HA3 GLY 27 3.312 7.221 -9.747 209 H GLU 28 H GLU 28 1.702 4.418 -9.027 210 HA GLU 28 HA GLU 28 -0.846 5.411 -9.917 211 HB2 GLU 28 HB2 GLU 28 0.021 3.114 -10.342 212 HB3 GLU 28 HB3 GLU 28 -0.005 2.740 -8.656 213 HG2 GLU 28 HG2 GLU 28 -1.818 1.630 -9.589 214 HG3 GLU 28 HG3 GLU 28 -2.512 2.938 -8.652 215 H GLU 29 H GLU 29 -2.858 5.318 -8.575 216 HA GLU 29 HA GLU 29 -2.344 5.938 -5.704 217 HB2 GLU 29 HB2 GLU 29 -4.357 7.009 -7.697 218 HB3 GLU 29 HB3 GLU 29 -4.594 7.131 -5.945 219 HG2 GLU 29 HG2 GLU 29 -2.503 8.354 -5.676 220 HG3 GLU 29 HG3 GLU 29 -2.125 8.195 -7.391 221 H LEU 30 H LEU 30 -3.434 4.844 -4.183 222 HA LEU 30 HA LEU 30 -5.640 2.994 -4.983 223 HB2 LEU 30 HB2 LEU 30 -4.665 1.448 -3.205 224 HB3 LEU 30 HB3 LEU 30 -3.863 1.464 -4.787 225 HG LEU 30 HG LEU 30 -2.775 3.320 -2.727 226 HD11 LEU 30 HD11 LEU 30 -3.206 1.385 -1.301 227 HD12 LEU 30 HD12 LEU 30 -1.469 1.568 -1.586 228 HD13 LEU 30 HD13 LEU 30 -2.363 0.324 -2.464 229 HD21 LEU 30 HD21 LEU 30 -0.614 2.621 -3.638 230 HD22 LEU 30 HD22 LEU 30 -1.696 3.050 -4.957 231 HD23 LEU 30 HD23 LEU 30 -1.391 1.347 -4.589 232 H MET 31 H MET 31 -7.061 2.420 -3.152 233 HA MET 31 HA MET 31 -7.080 4.534 -1.075 234 HB2 MET 31 HB2 MET 31 -9.549 3.049 -1.973 235 HB3 MET 31 HB3 MET 31 -9.341 4.489 -0.995 236 HG2 MET 31 HG2 MET 31 -8.206 5.197 -3.427 237 HG3 MET 31 HG3 MET 31 -9.582 4.195 -3.889 238 HE1 MET 31 HE1 MET 31 -8.314 7.594 -2.910 239 HE2 MET 31 HE2 MET 31 -9.532 8.286 -1.814 240 HE3 MET 31 HE3 MET 31 -8.526 6.922 -1.276 241 H LYS 32 H LYS 32 -6.352 3.610 0.833 242 HA LYS 32 HA LYS 32 -6.608 0.752 1.302 243 HB2 LYS 32 HB2 LYS 32 -4.889 1.909 2.340 244 HB3 LYS 32 HB3 LYS 32 -5.979 3.113 3.063 245 HG2 LYS 32 HG2 LYS 32 -6.987 1.355 4.487 246 HG3 LYS 32 HG3 LYS 32 -5.824 0.206 3.799 247 HD2 LYS 32 HD2 LYS 32 -4.785 0.879 5.837 248 HD3 LYS 32 HD3 LYS 32 -3.965 1.808 4.594 249 HE2 LYS 32 HE2 LYS 32 -5.769 3.651 5.099 250 HE3 LYS 32 HE3 LYS 32 -6.104 2.704 6.558 251 HZ1 LYS 32 HZ1 LYS 32 -4.429 4.345 7.105 252 HZ2 LYS 32 HZ2 LYS 32 -3.563 3.986 5.754 253 HZ3 LYS 32 HZ3 LYS 32 -3.626 2.927 6.983 254 H ILE 33 H ILE 33 -8.158 -0.340 2.587 255 HA ILE 33 HA ILE 33 -10.476 1.309 3.424 256 HB ILE 33 HB ILE 33 -11.954 -0.380 2.656 257 HG12 ILE 33 HG12 ILE 33 -10.388 -1.960 0.844 258 HG13 ILE 33 HG13 ILE 33 -9.606 -2.069 2.406 259 HG21 ILE 33 HG21 ILE 33 -11.875 0.030 0.278 260 HG22 ILE 33 HG22 ILE 33 -11.281 1.479 1.095 261 HG23 ILE 33 HG23 ILE 33 -10.143 0.378 0.322 262 HD11 ILE 33 HD11 ILE 33 -11.153 -3.873 2.186 263 HD12 ILE 33 HD12 ILE 33 -11.783 -2.759 3.423 264 HD13 ILE 33 HD13 ILE 33 -12.485 -2.765 1.786 265 H SER 34 H SER 34 -8.189 -1.186 4.292 266 HA SER 34 HA SER 34 -9.606 -1.536 6.872 267 HB2 SER 34 HB2 SER 34 -7.953 -3.613 5.452 268 HB3 SER 34 HB3 SER 34 -8.916 -3.792 6.935 269 HG SER 34 HG SER 34 -10.787 -3.426 5.744 270 H GLU 35 H GLU 35 -7.638 -2.573 8.425 271 HA GLU 35 HA GLU 35 -5.735 -0.302 8.520 272 HB2 GLU 35 HB2 GLU 35 -5.405 -1.052 10.845 273 HB3 GLU 35 HB3 GLU 35 -7.082 -0.670 10.464 274 HG2 GLU 35 HG2 GLU 35 -7.645 -3.053 10.281 275 HG3 GLU 35 HG3 GLU 35 -5.944 -3.510 10.445 276 H GLU 36 H GLU 36 -3.619 -0.804 9.540 277 HA GLU 36 HA GLU 36 -2.150 -2.580 7.845 278 HB2 GLU 36 HB2 GLU 36 -1.548 -0.271 8.636 279 HB3 GLU 36 HB3 GLU 36 -1.203 -0.950 10.230 280 HG2 GLU 36 HG2 GLU 36 0.579 -2.314 9.313 281 HG3 GLU 36 HG3 GLU 36 0.109 -1.935 7.653 282 H ASP 37 H ASP 37 -0.886 -4.274 8.483 283 HA ASP 37 HA ASP 37 -1.698 -5.836 10.894 284 HB2 ASP 37 HB2 ASP 37 -0.248 -6.562 8.332 285 HB3 ASP 37 HB3 ASP 37 -0.551 -7.703 9.630 286 H GLU 38 H GLU 38 0.154 -7.207 11.747 287 HA GLU 38 HA GLU 38 2.258 -5.625 12.697 288 HB2 GLU 38 HB2 GLU 38 1.130 -7.785 13.531 289 HB3 GLU 38 HB3 GLU 38 2.288 -8.653 12.526 290 HG2 GLU 38 HG2 GLU 38 4.103 -8.007 13.868 291 HG3 GLU 38 HG3 GLU 38 3.270 -6.583 14.509 292 H GLN 39 H GLN 39 2.042 -7.383 9.724 293 HA GLN 39 HA GLN 39 4.945 -7.319 9.127 294 HB2 GLN 39 HB2 GLN 39 2.703 -8.967 8.421 295 HB3 GLN 39 HB3 GLN 39 3.243 -8.225 6.939 296 HG2 GLN 39 HG2 GLN 39 4.350 -10.348 7.181 297 HG3 GLN 39 HG3 GLN 39 5.546 -9.090 7.332 298 HE21 GLN 39 HE21 GLN 39 7.114 -9.904 8.818 299 HE22 GLN 39 HE22 GLN 39 6.669 -10.552 10.375 300 H GLY 40 H GLY 40 2.710 -4.925 9.130 301 HA2 GLY 40 HA2 GLY 40 2.608 -2.931 8.071 302 HA3 GLY 40 HA3 GLY 40 4.050 -3.349 7.144 303 H TRP 41 H TRP 41 1.155 -5.390 7.157 304 HA TRP 41 HA TRP 41 0.809 -5.068 4.241 305 HB2 TRP 41 HB2 TRP 41 0.141 -7.069 6.386 306 HB3 TRP 41 HB3 TRP 41 -1.072 -6.864 5.166 307 HD1 TRP 41 HD1 TRP 41 1.295 -9.208 5.910 308 HE1 TRP 41 HE1 TRP 41 2.135 -10.471 3.885 309 HE3 TRP 41 HE3 TRP 41 -0.113 -5.890 2.332 310 HZ2 TRP 41 HZ2 TRP 41 2.520 -9.896 1.054 311 HZ3 TRP 41 HZ3 TRP 41 0.502 -6.288 -0.040 312 HH2 TRP 41 HH2 TRP 41 1.872 -8.150 -0.688 313 H CYS 42 H CYS 42 -1.085 -4.017 3.397 314 HA CYS 42 HA CYS 42 -3.156 -3.202 5.384 315 HB2 CYS 42 HB2 CYS 42 -1.610 -1.463 3.448 316 HB3 CYS 42 HB3 CYS 42 -3.309 -1.109 3.799 317 HG CYS 42 HG CYS 42 -3.079 -1.059 6.417 318 H LYS 43 H LYS 43 -5.206 -3.454 4.621 319 HA LYS 43 HA LYS 43 -5.471 -4.652 1.925 320 HB2 LYS 43 HB2 LYS 43 -6.623 -5.187 4.512 321 HB3 LYS 43 HB3 LYS 43 -7.926 -4.701 3.441 322 HG2 LYS 43 HG2 LYS 43 -6.034 -6.665 2.204 323 HG3 LYS 43 HG3 LYS 43 -6.811 -7.242 3.682 324 HD2 LYS 43 HD2 LYS 43 -9.018 -6.733 2.741 325 HD3 LYS 43 HD3 LYS 43 -8.278 -6.020 1.313 326 HE2 LYS 43 HE2 LYS 43 -9.068 -8.299 0.845 327 HE3 LYS 43 HE3 LYS 43 -7.316 -8.195 0.690 328 HZ1 LYS 43 HZ1 LYS 43 -8.460 -9.105 3.237 329 HZ2 LYS 43 HZ2 LYS 43 -7.036 -9.569 2.503 330 HZ3 LYS 43 HZ3 LYS 43 -8.469 -10.129 1.979 331 H GLY 44 H GLY 44 -6.504 -3.630 0.280 332 HA2 GLY 44 HA2 GLY 44 -8.176 -1.293 0.827 333 HA3 GLY 44 HA3 GLY 44 -6.641 -0.925 0.068 334 H ARG 45 H ARG 45 -8.257 -0.067 -1.476 335 HA ARG 45 HA ARG 45 -8.936 -2.079 -3.497 336 HB2 ARG 45 HB2 ARG 45 -10.681 0.171 -2.427 337 HB3 ARG 45 HB3 ARG 45 -10.928 -0.510 -4.047 338 HG2 ARG 45 HG2 ARG 45 -11.198 -2.731 -3.157 339 HG3 ARG 45 HG3 ARG 45 -10.912 -2.140 -1.495 340 HD2 ARG 45 HD2 ARG 45 -12.883 -0.606 -1.828 341 HD3 ARG 45 HD3 ARG 45 -13.258 -1.509 -3.302 342 HE ARG 45 HE ARG 45 -13.224 -3.559 -1.754 343 HH11 ARG 45 HH11 ARG 45 -14.395 -0.375 -0.662 344 HH12 ARG 45 HH12 ARG 45 -15.328 -1.020 0.638 345 HH21 ARG 45 HH21 ARG 45 -14.386 -4.397 -0.001 346 HH22 ARG 45 HH22 ARG 45 -15.336 -3.363 1.022 347 H LEU 46 H LEU 46 -8.332 -1.611 -5.440 348 HA LEU 46 HA LEU 46 -6.776 0.869 -5.966 349 HB2 LEU 46 HB2 LEU 46 -7.624 -1.543 -7.603 350 HB3 LEU 46 HB3 LEU 46 -6.946 -0.137 -8.417 351 HG LEU 46 HG LEU 46 -5.439 -1.333 -6.101 352 HD11 LEU 46 HD11 LEU 46 -5.492 -2.305 -8.973 353 HD12 LEU 46 HD12 LEU 46 -6.012 -3.215 -7.554 354 HD13 LEU 46 HD13 LEU 46 -4.309 -2.825 -7.740 355 HD21 LEU 46 HD21 LEU 46 -4.565 0.094 -8.656 356 HD22 LEU 46 HD22 LEU 46 -3.493 -0.472 -7.374 357 HD23 LEU 46 HD23 LEU 46 -4.651 0.835 -7.046 358 H LEU 47 H LEU 47 -7.432 2.299 -7.846 359 HA LEU 47 HA LEU 47 -10.101 3.243 -7.557 360 HB2 LEU 47 HB2 LEU 47 -9.606 4.670 -9.488 361 HB3 LEU 47 HB3 LEU 47 -8.361 4.729 -8.270 362 HG LEU 47 HG LEU 47 -7.689 2.613 -10.148 363 HD11 LEU 47 HD11 LEU 47 -7.390 3.918 -12.207 364 HD12 LEU 47 HD12 LEU 47 -8.196 5.311 -11.449 365 HD13 LEU 47 HD13 LEU 47 -9.099 3.797 -11.765 366 HD21 LEU 47 HD21 LEU 47 -5.676 4.081 -10.506 367 HD22 LEU 47 HD22 LEU 47 -6.023 3.534 -8.872 368 HD23 LEU 47 HD23 LEU 47 -6.399 5.211 -9.333 369 H THR 48 H THR 48 -8.927 0.602 -9.453 370 HA THR 48 HA THR 48 -11.133 0.647 -11.363 371 HB THR 48 HB THR 48 -8.759 -0.013 -11.903 372 HG1 THR 48 HG1 THR 48 -9.409 -1.699 -13.255 373 HG21 THR 48 HG21 THR 48 -8.218 -1.400 -9.959 374 HG22 THR 48 HG22 THR 48 -8.104 -2.358 -11.434 375 HG23 THR 48 HG23 THR 48 -9.509 -2.550 -10.389 376 H GLY 49 H GLY 49 -10.965 -0.097 -8.128 377 HA2 GLY 49 HA2 GLY 49 -12.609 -0.987 -6.807 378 HA3 GLY 49 HA3 GLY 49 -13.342 -1.801 -8.189 379 H HIS 50 H HIS 50 -10.061 -2.542 -8.316 380 HA HIS 50 HA HIS 50 -10.464 -5.272 -7.555 381 HB2 HIS 50 HB2 HIS 50 -8.244 -3.688 -8.675 382 HB3 HIS 50 HB3 HIS 50 -7.698 -4.854 -7.477 383 HD1 HIS 50 HD1 HIS 50 -8.076 -7.461 -8.021 384 HD2 HIS 50 HD2 HIS 50 -9.469 -4.706 -10.892 385 HE1 HIS 50 HE1 HIS 50 -8.997 -8.834 -9.962 386 H VAL 51 H VAL 51 -9.915 -6.394 -5.709 387 HA VAL 51 HA VAL 51 -9.311 -4.772 -3.292 388 HB VAL 51 HB VAL 51 -10.549 -6.613 -2.115 389 HG11 VAL 51 HG11 VAL 51 -11.792 -4.653 -2.392 390 HG12 VAL 51 HG12 VAL 51 -12.110 -4.959 -4.117 391 HG13 VAL 51 HG13 VAL 51 -12.875 -5.953 -2.857 392 HG21 VAL 51 HG21 VAL 51 -10.395 -8.410 -3.796 393 HG22 VAL 51 HG22 VAL 51 -12.033 -8.098 -3.291 394 HG23 VAL 51 HG23 VAL 51 -11.495 -7.499 -4.866 395 H GLY 52 H GLY 52 -7.920 -5.712 -1.695 396 HA2 GLY 52 HA2 GLY 52 -6.932 -8.202 -1.438 397 HA3 GLY 52 HA3 GLY 52 -5.929 -7.595 -2.744 398 H LEU 53 H LEU 53 -4.263 -7.991 -1.077 399 HA LEU 53 HA LEU 53 -3.949 -5.924 1.038 400 HB2 LEU 53 HB2 LEU 53 -2.895 -8.677 0.443 401 HB3 LEU 53 HB3 LEU 53 -1.804 -7.589 1.249 402 HG LEU 53 HG LEU 53 -4.510 -8.442 2.307 403 HD11 LEU 53 HD11 LEU 53 -2.642 -10.175 2.263 404 HD12 LEU 53 HD12 LEU 53 -3.302 -9.804 3.847 405 HD13 LEU 53 HD13 LEU 53 -1.713 -9.134 3.344 406 HD21 LEU 53 HD21 LEU 53 -2.350 -6.626 3.438 407 HD22 LEU 53 HD22 LEU 53 -3.593 -7.403 4.460 408 HD23 LEU 53 HD23 LEU 53 -4.059 -6.266 3.211 409 H TYR 54 H TYR 54 -2.049 -4.542 0.937 410 HA TYR 54 HA TYR 54 -0.349 -4.705 -1.455 411 HB2 TYR 54 HB2 TYR 54 -0.522 -2.420 -1.971 412 HB3 TYR 54 HB3 TYR 54 -2.139 -3.019 -1.980 413 HD1 TYR 54 HD1 TYR 54 -3.760 -2.280 -0.170 414 HD2 TYR 54 HD2 TYR 54 0.334 -0.882 -0.270 415 HE1 TYR 54 HE1 TYR 54 -4.317 -0.468 1.449 416 HE2 TYR 54 HE2 TYR 54 -0.223 0.832 1.404 417 HH TYR 54 HH TYR 54 -1.760 1.690 2.840 418 HA PRO 55 HA PRO 55 2.418 -4.175 1.934 419 HB2 PRO 55 HB2 PRO 55 4.745 -3.430 0.754 420 HB3 PRO 55 HB3 PRO 55 4.039 -5.065 0.615 421 HG2 PRO 55 HG2 PRO 55 3.910 -2.796 -1.376 422 HG3 PRO 55 HG3 PRO 55 4.271 -4.516 -1.685 423 HD2 PRO 55 HD2 PRO 55 1.748 -3.528 -2.084 424 HD3 PRO 55 HD3 PRO 55 2.066 -5.157 -1.454 425 H ALA 56 H ALA 56 1.705 -2.532 3.257 426 HA ALA 56 HA ALA 56 1.321 0.142 2.551 427 HB1 ALA 56 HB1 ALA 56 0.484 -1.114 4.620 428 HB2 ALA 56 HB2 ALA 56 2.061 -0.786 5.345 429 HB3 ALA 56 HB3 ALA 56 1.018 0.563 4.878 430 H ASN 57 H ASN 57 4.148 -1.476 3.799 431 HA ASN 57 HA ASN 57 5.782 0.737 4.360 432 HB2 ASN 57 HB2 ASN 57 6.854 -1.879 3.250 433 HB3 ASN 57 HB3 ASN 57 7.632 -0.746 4.344 434 HD21 ASN 57 HD21 ASN 57 6.351 -3.792 4.329 435 HD22 ASN 57 HD22 ASN 57 5.796 -3.812 6.007 436 H TYR 58 H TYR 58 4.713 -0.197 1.194 437 HA TYR 58 HA TYR 58 7.088 1.026 -0.109 438 HB2 TYR 58 HB2 TYR 58 4.935 -0.870 -1.073 439 HB3 TYR 58 HB3 TYR 58 6.034 -0.066 -2.161 440 HD1 TYR 58 HD1 TYR 58 6.462 -2.088 1.042 441 HD2 TYR 58 HD2 TYR 58 7.614 -1.530 -3.078 442 HE1 TYR 58 HE1 TYR 58 8.156 -3.850 1.281 443 HE2 TYR 58 HE2 TYR 58 9.304 -3.257 -2.825 444 HH TYR 58 HH TYR 58 10.003 -5.015 0.204 445 H VAL 59 H VAL 59 4.176 2.114 1.063 446 HA VAL 59 HA VAL 59 3.971 4.093 -1.139 447 HB VAL 59 HB VAL 59 1.655 3.870 -1.353 448 HG11 VAL 59 HG11 VAL 59 2.355 0.946 -0.880 449 HG12 VAL 59 HG12 VAL 59 1.163 1.628 -2.004 450 HG13 VAL 59 HG13 VAL 59 2.886 1.826 -2.308 451 HG21 VAL 59 HG21 VAL 59 1.589 2.153 1.133 452 HG22 VAL 59 HG22 VAL 59 0.942 3.801 0.966 453 HG23 VAL 59 HG23 VAL 59 0.212 2.487 0.049 454 H GLU 60 H GLU 60 2.510 6.027 -0.444 455 HA GLU 60 HA GLU 60 2.442 6.591 2.374 456 HB2 GLU 60 HB2 GLU 60 4.781 7.398 0.886 457 HB3 GLU 60 HB3 GLU 60 3.842 8.852 1.210 458 HG2 GLU 60 HG2 GLU 60 4.498 6.778 3.343 459 HG3 GLU 60 HG3 GLU 60 5.560 8.128 2.964 460 H LYS 61 H LYS 61 1.443 8.803 2.694 461 HA LYS 61 HA LYS 61 -0.908 8.950 1.026 462 HB2 LYS 61 HB2 LYS 61 0.161 10.647 3.311 463 HB3 LYS 61 HB3 LYS 61 -1.263 11.151 2.371 464 HG2 LYS 61 HG2 LYS 61 -2.363 9.036 2.786 465 HG3 LYS 61 HG3 LYS 61 -0.977 8.469 3.740 466 HD2 LYS 61 HD2 LYS 61 -2.624 9.133 5.295 467 HD3 LYS 61 HD3 LYS 61 -1.393 10.408 5.339 468 HE2 LYS 61 HE2 LYS 61 -2.826 11.827 3.881 469 HE3 LYS 61 HE3 LYS 61 -3.984 10.497 3.729 470 HZ1 LYS 61 HZ1 LYS 61 -3.424 12.036 6.181 471 HZ2 LYS 61 HZ2 LYS 61 -4.312 10.644 6.149 472 HZ3 LYS 61 HZ3 LYS 61 -4.838 11.937 5.334 473 H VAL 62 H VAL 62 -1.719 10.699 -0.063 474 HA VAL 62 HA VAL 62 0.153 12.660 -1.039 475 HB VAL 62 HB VAL 62 0.403 10.650 -2.455 476 HG11 VAL 62 HG11 VAL 62 -1.296 10.051 -4.144 477 HG12 VAL 62 HG12 VAL 62 -1.803 9.685 -2.483 478 HG13 VAL 62 HG13 VAL 62 -2.451 11.099 -3.352 479 HG21 VAL 62 HG21 VAL 62 0.366 11.797 -4.615 480 HG22 VAL 62 HG22 VAL 62 -0.714 13.044 -3.959 481 HG23 VAL 62 HG23 VAL 62 0.944 12.877 -3.339 482 H GLY 63 H GLY 63 -1.596 13.000 0.835 483 HA2 GLY 63 HA2 GLY 63 -4.185 13.953 -0.244 484 HA3 GLY 63 HA3 GLY 63 -3.778 13.653 1.440 485 H LEU 64 H LEU 64 -2.162 15.170 2.485 486 HA LEU 64 HA LEU 64 -2.067 17.878 1.297 487 HB2 LEU 64 HB2 LEU 64 -3.042 16.960 4.018 488 HB3 LEU 64 HB3 LEU 64 -2.667 18.650 3.665 489 HG LEU 64 HG LEU 64 -4.841 17.044 2.237 490 HD11 LEU 64 HD11 LEU 64 -4.973 19.039 4.512 491 HD12 LEU 64 HD12 LEU 64 -5.437 17.326 4.559 492 HD13 LEU 64 HD13 LEU 64 -6.388 18.465 3.598 493 HD21 LEU 64 HD21 LEU 64 -5.623 19.219 1.422 494 HD22 LEU 64 HD22 LEU 64 -3.967 18.932 0.879 495 HD23 LEU 64 HD23 LEU 64 -4.266 20.032 2.226 496 H ALA 65 H ALA 65 -0.615 19.209 2.996 497 HA ALA 65 HA ALA 65 1.972 17.950 2.947 498 HB1 ALA 65 HB1 ALA 65 1.553 20.425 2.839 499 HB2 ALA 65 HB2 ALA 65 1.040 20.387 4.542 500 HB3 ALA 65 HB3 ALA 65 2.710 19.978 4.093 501 H ALA 66 H ALA 66 3.324 17.720 5.077 502 HA ALA 66 HA ALA 66 1.989 15.817 6.771 503 HB1 ALA 66 HB1 ALA 66 4.684 17.193 7.112 504 HB2 ALA 66 HB2 ALA 66 4.104 15.801 8.040 505 HB3 ALA 66 HB3 ALA 66 4.381 15.640 6.298 506 H ALA 67 H ALA 67 2.213 19.169 6.807 507 HA ALA 67 HA ALA 67 0.622 20.524 7.898 508 HB1 ALA 67 HB1 ALA 67 1.562 19.288 10.502 509 HB2 ALA 67 HB2 ALA 67 0.338 20.541 10.306 510 HB3 ALA 67 HB3 ALA 67 -0.001 18.895 9.735 511 H1 THR 101 H THR 101 -0.946 -12.895 10.931 512 HA THR 101 HA THR 101 -1.595 -11.160 9.424 513 HB THR 101 HB THR 101 0.735 -10.179 9.460 514 HG1 THR 101 HG1 THR 101 -0.968 -9.524 8.003 515 HG21 THR 101 HG21 THR 101 2.228 -10.873 7.511 516 HG22 THR 101 HG22 THR 101 1.242 -12.292 7.294 517 HG23 THR 101 HG23 THR 101 2.134 -12.067 8.809 518 H LYS 102 H LYS 102 -1.687 -11.475 6.785 519 HA LYS 102 HA LYS 102 -2.661 -14.155 6.430 520 HB2 LYS 102 HB2 LYS 102 -2.866 -11.706 4.972 521 HB3 LYS 102 HB3 LYS 102 -2.133 -12.867 3.871 522 HG2 LYS 102 HG2 LYS 102 -4.505 -13.036 3.602 523 HG3 LYS 102 HG3 LYS 102 -3.970 -14.494 4.444 524 HD2 LYS 102 HD2 LYS 102 -4.707 -13.428 6.602 525 HD3 LYS 102 HD3 LYS 102 -5.257 -12.010 5.690 526 HE2 LYS 102 HE2 LYS 102 -6.914 -13.233 4.543 527 HE3 LYS 102 HE3 LYS 102 -6.200 -14.799 4.951 528 HZ1 LYS 102 HZ1 LYS 102 -7.399 -12.977 6.936 529 HZ2 LYS 102 HZ2 LYS 102 -6.854 -14.514 7.199 530 HZ3 LYS 102 HZ3 LYS 102 -8.187 -14.246 6.243 531 H GLY 103 H GLY 103 0.089 -12.547 4.715 532 HA2 GLY 103 HA2 GLY 103 1.647 -15.037 4.962 533 HA3 GLY 103 HA3 GLY 103 1.410 -14.267 3.382 534 HA PRO 104 HA PRO 104 4.950 -12.319 5.955 535 HB2 PRO 104 HB2 PRO 104 7.170 -13.523 4.898 536 HB3 PRO 104 HB3 PRO 104 6.265 -14.164 6.299 537 HG2 PRO 104 HG2 PRO 104 6.058 -14.980 3.398 538 HG3 PRO 104 HG3 PRO 104 6.176 -16.047 4.835 539 HD2 PRO 104 HD2 PRO 104 3.786 -15.473 3.647 540 HD3 PRO 104 HD3 PRO 104 3.927 -15.658 5.421 541 H ALA 105 H ALA 105 4.630 -10.470 5.023 542 HA ALA 105 HA ALA 105 4.425 -9.588 2.461 543 HB1 ALA 105 HB1 ALA 105 5.513 -7.420 3.835 544 HB2 ALA 105 HB2 ALA 105 3.833 -7.943 3.965 545 HB3 ALA 105 HB3 ALA 105 5.036 -8.444 5.156 546 HA PRO 106 HA PRO 106 8.397 -9.121 0.561 547 HB2 PRO 106 HB2 PRO 106 8.278 -6.656 -0.668 548 HB3 PRO 106 HB3 PRO 106 7.345 -8.109 -1.100 549 HG2 PRO 106 HG2 PRO 106 6.415 -5.735 0.413 550 HG3 PRO 106 HG3 PRO 106 5.583 -6.605 -0.908 551 HD2 PRO 106 HD2 PRO 106 5.084 -7.038 1.769 552 HD3 PRO 106 HD3 PRO 106 4.851 -8.273 0.529 553 H ASN 107 H ASN 107 7.443 -7.228 2.890 554 HA ASN 107 HA ASN 107 9.193 -5.145 3.487 555 HB2 ASN 107 HB2 ASN 107 8.392 -5.122 5.711 556 HB3 ASN 107 HB3 ASN 107 7.073 -5.834 4.793 557 HD21 ASN 107 HD21 ASN 107 9.100 -6.316 7.607 558 HD22 ASN 107 HD22 ASN 107 8.720 -8.005 7.759 559 HA PRO 108 HA PRO 108 10.409 -4.269 5.683 560 HB2 PRO 108 HB2 PRO 108 12.983 -3.264 5.664 561 HB3 PRO 108 HB3 PRO 108 12.290 -4.251 6.989 562 HG2 PRO 108 HG2 PRO 108 14.051 -5.114 4.693 563 HG3 PRO 108 HG3 PRO 108 14.207 -5.540 6.424 564 HD2 PRO 108 HD2 PRO 108 13.027 -7.226 4.642 565 HD3 PRO 108 HD3 PRO 108 12.393 -7.052 6.305 566 HA PRO 109 HA PRO 109 10.199 -2.095 1.870 567 HB2 PRO 109 HB2 PRO 109 10.982 0.517 2.363 568 HB3 PRO 109 HB3 PRO 109 9.414 -0.204 2.820 569 HG2 PRO 109 HG2 PRO 109 11.867 0.152 4.542 570 HG3 PRO 109 HG3 PRO 109 10.145 0.487 4.953 571 HD2 PRO 109 HD2 PRO 109 11.397 -1.777 5.742 572 HD3 PRO 109 HD3 PRO 109 9.681 -1.792 5.259 573 HA PRO 110 HA PRO 110 14.134 -2.280 -0.028 574 HB2 PRO 110 HB2 PRO 110 13.810 -0.988 -2.414 575 HB3 PRO 110 HB3 PRO 110 12.977 -2.507 -1.989 576 HG2 PRO 110 HG2 PRO 110 11.939 0.308 -1.870 577 HG3 PRO 110 HG3 PRO 110 11.112 -1.145 -2.502 578 HD2 PRO 110 HD2 PRO 110 10.700 -0.130 0.043 579 HD3 PRO 110 HD3 PRO 110 10.539 -1.859 -0.355 580 H ILE 111 H ILE 111 13.136 1.202 -0.593 581 HA ILE 111 HA ILE 111 15.640 2.062 0.684 582 HB ILE 111 HB ILE 111 16.197 3.499 -1.228 583 HG12 ILE 111 HG12 ILE 111 14.059 2.020 -2.903 584 HG13 ILE 111 HG13 ILE 111 13.942 3.630 -2.242 585 HG21 ILE 111 HG21 ILE 111 17.233 1.240 -0.940 586 HG22 ILE 111 HG22 ILE 111 16.098 0.612 -2.152 587 HG23 ILE 111 HG23 ILE 111 17.266 1.860 -2.598 588 HD11 ILE 111 HD11 ILE 111 16.019 2.740 -4.269 589 HD12 ILE 111 HD12 ILE 111 14.604 3.755 -4.565 590 HD13 ILE 111 HD13 ILE 111 15.923 4.360 -3.542 591 H LEU 112 H LEU 112 14.906 4.742 -0.620 592 HA LEU 112 HA LEU 112 14.224 6.694 0.269 593 HB2 LEU 112 HB2 LEU 112 11.891 5.169 -0.785 594 HB3 LEU 112 HB3 LEU 112 11.551 6.676 0.029 595 HG LEU 112 HG LEU 112 12.803 7.974 -1.491 596 HD11 LEU 112 HD11 LEU 112 13.597 5.560 -3.123 597 HD12 LEU 112 HD12 LEU 112 14.717 6.406 -2.016 598 HD13 LEU 112 HD13 LEU 112 14.015 7.243 -3.400 599 HD21 LEU 112 HD21 LEU 112 11.208 5.907 -3.069 600 HD22 LEU 112 HD22 LEU 112 11.559 7.586 -3.545 601 HD23 LEU 112 HD23 LEU 112 10.521 7.272 -2.154 602 H LYS 113 H LYS 113 15.072 6.363 2.412 603 HA LYS 113 HA LYS 113 13.026 6.941 4.398 604 HB2 LYS 113 HB2 LYS 113 13.624 5.170 6.002 605 HB3 LYS 113 HB3 LYS 113 12.865 4.566 4.545 606 HG2 LYS 113 HG2 LYS 113 15.225 3.951 3.706 607 HG3 LYS 113 HG3 LYS 113 15.773 4.327 5.354 608 HD2 LYS 113 HD2 LYS 113 14.121 2.645 6.221 609 HD3 LYS 113 HD3 LYS 113 13.926 2.111 4.519 610 HE2 LYS 113 HE2 LYS 113 16.472 2.012 4.430 611 HE3 LYS 113 HE3 LYS 113 16.492 2.337 6.160 612 HZ1 LYS 113 HZ1 LYS 113 15.085 0.237 6.407 613 HZ2 LYS 113 HZ2 LYS 113 16.597 -0.039 5.866 614 HZ3 LYS 113 HZ3 LYS 113 15.363 -0.050 4.809 615 H VAL 114 H VAL 114 16.368 5.742 4.617 616 HA VAL 114 HA VAL 114 17.238 7.453 6.607 617 HB VAL 114 HB VAL 114 18.173 5.276 5.980 618 HG11 VAL 114 HG11 VAL 114 18.185 5.493 3.505 619 HG12 VAL 114 HG12 VAL 114 19.551 6.626 3.640 620 HG13 VAL 114 HG13 VAL 114 19.728 4.946 4.165 621 HG21 VAL 114 HG21 VAL 114 20.495 5.713 6.399 622 HG22 VAL 114 HG22 VAL 114 20.333 7.408 5.891 623 HG23 VAL 114 HG23 VAL 114 19.525 6.824 7.361 624 H TRP 115 H TRP 115 17.108 8.011 3.218 625 HA TRP 115 HA TRP 115 17.668 9.860 1.905 626 HB2 TRP 115 HB2 TRP 115 16.062 10.902 3.534 627 HB3 TRP 115 HB3 TRP 115 17.433 11.469 4.473 628 HD1 TRP 115 HD1 TRP 115 18.526 13.678 3.710 629 HE1 TRP 115 HE1 TRP 115 18.093 15.395 1.839 630 HE3 TRP 115 HE3 TRP 115 15.416 10.886 0.833 631 HZ2 TRP 115 HZ2 TRP 115 16.417 15.550 -0.549 632 HZ3 TRP 115 HZ3 TRP 115 14.389 11.822 -1.248 633 HH2 TRP 115 HH2 TRP 115 14.871 14.160 -1.913 Start of MODEL 2 1 H1 MET 1 H MET 1 -16.157 8.964 15.859 2 HA MET 1 HA MET 1 -14.694 8.575 14.077 3 HB2 MET 1 HB2 MET 1 -13.516 6.516 14.686 4 HB3 MET 1 HB3 MET 1 -13.961 7.477 16.089 5 HG2 MET 1 HG2 MET 1 -15.944 5.984 16.444 6 HG3 MET 1 HG3 MET 1 -15.380 4.954 15.127 7 HE1 MET 1 HE1 MET 1 -13.879 2.997 15.452 8 HE2 MET 1 HE2 MET 1 -12.531 4.154 15.312 9 HE3 MET 1 HE3 MET 1 -12.535 2.936 16.609 10 H LYS 2 H LYS 2 -14.220 7.800 12.121 11 HA LYS 2 HA LYS 2 -15.591 5.629 10.809 12 HB2 LYS 2 HB2 LYS 2 -16.236 8.538 10.201 13 HB3 LYS 2 HB3 LYS 2 -15.969 7.444 8.838 14 HG2 LYS 2 HG2 LYS 2 -17.665 5.880 9.720 15 HG3 LYS 2 HG3 LYS 2 -18.022 7.021 11.032 16 HD2 LYS 2 HD2 LYS 2 -18.759 8.711 9.426 17 HD3 LYS 2 HD3 LYS 2 -18.273 7.673 8.061 18 HE2 LYS 2 HE2 LYS 2 -19.854 5.947 8.745 19 HE3 LYS 2 HE3 LYS 2 -20.319 6.868 10.178 20 HZ1 LYS 2 HZ1 LYS 2 -21.754 6.974 8.088 21 HZ2 LYS 2 HZ2 LYS 2 -20.655 8.038 7.504 22 HZ3 LYS 2 HZ3 LYS 2 -21.470 8.382 8.898 23 H VAL 3 H VAL 3 -14.385 5.238 8.679 24 HA VAL 3 HA VAL 3 -11.899 6.816 8.481 25 HB VAL 3 HB VAL 3 -11.661 3.814 8.384 26 HG11 VAL 3 HG11 VAL 3 -9.759 6.145 8.913 27 HG12 VAL 3 HG12 VAL 3 -9.298 4.442 8.911 28 HG13 VAL 3 HG13 VAL 3 -9.866 5.205 7.417 29 HG21 VAL 3 HG21 VAL 3 -12.468 4.125 10.626 30 HG22 VAL 3 HG22 VAL 3 -10.736 3.831 10.663 31 HG23 VAL 3 HG23 VAL 3 -11.333 5.479 10.903 32 HA PRO 4 HA PRO 4 -13.562 6.075 4.302 33 HB2 PRO 4 HB2 PRO 4 -12.631 8.327 3.068 34 HB3 PRO 4 HB3 PRO 4 -14.074 8.344 4.124 35 HG2 PRO 4 HG2 PRO 4 -11.220 9.067 4.824 36 HG3 PRO 4 HG3 PRO 4 -12.696 10.002 5.192 37 HD2 PRO 4 HD2 PRO 4 -11.519 8.334 7.016 38 HD3 PRO 4 HD3 PRO 4 -13.290 8.546 6.954 39 H GLY 5 H GLY 5 -12.229 5.923 2.085 40 HA2 GLY 5 HA2 GLY 5 -9.971 4.370 2.627 41 HA3 GLY 5 HA3 GLY 5 -10.445 5.003 1.029 42 H VAL 6 H VAL 6 -7.729 4.831 2.519 43 HA VAL 6 HA VAL 6 -7.048 7.750 2.603 44 HB VAL 6 HB VAL 6 -5.291 5.388 3.370 45 HG11 VAL 6 HG11 VAL 6 -3.990 7.059 4.593 46 HG12 VAL 6 HG12 VAL 6 -4.121 7.545 2.904 47 HG13 VAL 6 HG13 VAL 6 -5.127 8.338 4.128 48 HG21 VAL 6 HG21 VAL 6 -5.806 5.881 5.729 49 HG22 VAL 6 HG22 VAL 6 -7.022 7.054 5.215 50 HG23 VAL 6 HG23 VAL 6 -7.244 5.328 4.868 51 H ARG 7 H ARG 7 -6.352 8.560 0.685 52 HA ARG 7 HA ARG 7 -5.551 6.774 -1.469 53 HB2 ARG 7 HB2 ARG 7 -5.386 8.602 -2.889 54 HB3 ARG 7 HB3 ARG 7 -6.802 8.899 -1.910 55 HG2 ARG 7 HG2 ARG 7 -4.126 10.300 -1.572 56 HG3 ARG 7 HG3 ARG 7 -5.492 10.911 -2.471 57 HD2 ARG 7 HD2 ARG 7 -5.566 10.337 0.505 58 HD3 ARG 7 HD3 ARG 7 -5.247 11.907 -0.213 59 HE ARG 7 HE ARG 7 -7.842 10.623 0.084 60 HH11 ARG 7 HH11 ARG 7 -6.167 13.138 -1.965 61 HH12 ARG 7 HH12 ARG 7 -7.638 14.031 -2.061 62 HH21 ARG 7 HH21 ARG 7 -9.623 11.822 -0.235 63 HH22 ARG 7 HH22 ARG 7 -9.592 13.278 -1.223 64 H VAL 8 H VAL 8 -3.488 6.042 -1.833 65 HA VAL 8 HA VAL 8 -1.216 7.536 -0.650 66 HB VAL 8 HB VAL 8 -0.278 5.376 0.178 67 HG11 VAL 8 HG11 VAL 8 -2.941 6.085 1.479 68 HG12 VAL 8 HG12 VAL 8 -1.529 5.358 2.248 69 HG13 VAL 8 HG13 VAL 8 -1.445 7.031 1.667 70 HG21 VAL 8 HG21 VAL 8 -3.111 4.270 -0.189 71 HG22 VAL 8 HG22 VAL 8 -1.648 3.751 -1.049 72 HG23 VAL 8 HG23 VAL 8 -1.783 3.495 0.690 73 H ARG 9 H ARG 9 0.621 7.481 -1.936 74 HA ARG 9 HA ARG 9 0.209 6.351 -4.647 75 HB2 ARG 9 HB2 ARG 9 0.526 8.788 -4.506 76 HB3 ARG 9 HB3 ARG 9 2.094 8.557 -3.715 77 HG2 ARG 9 HG2 ARG 9 2.993 7.517 -5.757 78 HG3 ARG 9 HG3 ARG 9 1.373 7.493 -6.479 79 HD2 ARG 9 HD2 ARG 9 2.503 9.315 -7.480 80 HD3 ARG 9 HD3 ARG 9 1.333 9.994 -6.354 81 HE ARG 9 HE ARG 9 4.070 9.626 -5.324 82 HH11 ARG 9 HH11 ARG 9 1.676 12.003 -6.573 83 HH12 ARG 9 HH12 ARG 9 2.755 13.334 -6.364 84 HH21 ARG 9 HH21 ARG 9 5.524 11.428 -5.236 85 HH22 ARG 9 HH22 ARG 9 4.951 12.998 -5.645 86 H ALA 10 H ALA 10 1.531 4.926 -5.456 87 HA ALA 10 HA ALA 10 3.441 3.477 -3.785 88 HB1 ALA 10 HB1 ALA 10 2.483 3.339 -6.661 89 HB2 ALA 10 HB2 ALA 10 3.615 2.174 -5.948 90 HB3 ALA 10 HB3 ALA 10 1.948 2.324 -5.317 91 H LEU 11 H LEU 11 5.556 4.106 -3.560 92 HA LEU 11 HA LEU 11 6.668 5.987 -5.559 93 HB2 LEU 11 HB2 LEU 11 7.875 4.936 -2.987 94 HB3 LEU 11 HB3 LEU 11 8.582 6.161 -4.026 95 HG LEU 11 HG LEU 11 5.954 6.457 -2.504 96 HD11 LEU 11 HD11 LEU 11 7.185 7.998 -1.089 97 HD12 LEU 11 HD12 LEU 11 8.653 7.797 -2.063 98 HD13 LEU 11 HD13 LEU 11 8.026 6.443 -1.102 99 HD21 LEU 11 HD21 LEU 11 7.438 8.393 -4.321 100 HD22 LEU 11 HD22 LEU 11 6.156 8.867 -3.185 101 HD23 LEU 11 HD23 LEU 11 5.783 7.769 -4.517 102 H TYR 12 H TYR 12 6.623 2.615 -5.014 103 HA TYR 12 HA TYR 12 8.876 2.155 -6.892 104 HB2 TYR 12 HB2 TYR 12 8.218 0.192 -4.665 105 HB3 TYR 12 HB3 TYR 12 9.672 0.295 -5.626 106 HD1 TYR 12 HD1 TYR 12 7.870 1.517 -2.619 107 HD2 TYR 12 HD2 TYR 12 11.366 2.170 -5.130 108 HE1 TYR 12 HE1 TYR 12 8.724 3.091 -1.027 109 HE2 TYR 12 HE2 TYR 12 12.137 3.870 -3.544 110 HH TYR 12 HH TYR 12 11.245 5.367 -1.756 111 H ASP 13 H ASP 13 8.521 -0.160 -7.911 112 HA ASP 13 HA ASP 13 5.612 -0.582 -8.383 113 HB2 ASP 13 HB2 ASP 13 6.143 -1.059 -10.620 114 HB3 ASP 13 HB3 ASP 13 6.882 0.480 -10.215 115 H TYR 14 H TYR 14 4.942 -2.375 -7.272 116 HA TYR 14 HA TYR 14 6.401 -4.892 -7.638 117 HB2 TYR 14 HB2 TYR 14 5.972 -3.431 -5.056 118 HB3 TYR 14 HB3 TYR 14 5.500 -5.067 -5.012 119 HD1 TYR 14 HD1 TYR 14 7.047 -6.762 -4.572 120 HD2 TYR 14 HD2 TYR 14 8.438 -2.927 -5.990 121 HE1 TYR 14 HE1 TYR 14 9.359 -7.470 -4.203 122 HE2 TYR 14 HE2 TYR 14 10.748 -3.596 -5.629 123 HH TYR 14 HH TYR 14 11.561 -6.966 -4.513 124 H THR 15 H THR 15 4.906 -6.755 -7.336 125 HA THR 15 HA THR 15 2.020 -6.007 -7.374 126 HB THR 15 HB THR 15 2.820 -6.343 -9.606 127 HG1 THR 15 HG1 THR 15 1.380 -8.657 -8.979 128 HG21 THR 15 HG21 THR 15 3.628 -8.342 -10.572 129 HG22 THR 15 HG22 THR 15 3.459 -9.265 -9.077 130 HG23 THR 15 HG23 THR 15 4.697 -8.016 -9.208 131 H GLY 16 H GLY 16 2.020 -6.406 -5.116 132 HA2 GLY 16 HA2 GLY 16 1.672 -7.655 -3.236 133 HA3 GLY 16 HA3 GLY 16 0.996 -8.862 -4.353 134 H GLN 17 H GLN 17 1.806 -10.405 -2.775 135 HA GLN 17 HA GLN 17 4.546 -11.247 -3.382 136 HB2 GLN 17 HB2 GLN 17 4.712 -10.100 -1.253 137 HB3 GLN 17 HB3 GLN 17 3.500 -11.162 -0.530 138 HG2 GLN 17 HG2 GLN 17 5.861 -11.689 0.094 139 HG3 GLN 17 HG3 GLN 17 5.016 -13.045 -0.621 140 HE21 GLN 17 HE21 GLN 17 5.578 -13.683 -2.801 141 HE22 GLN 17 HE22 GLN 17 7.050 -13.144 -3.593 142 H GLU 18 H GLU 18 1.279 -11.875 -3.551 143 HA GLU 18 HA GLU 18 1.654 -14.673 -4.101 144 HB2 GLU 18 HB2 GLU 18 0.872 -13.931 -1.487 145 HB3 GLU 18 HB3 GLU 18 -0.673 -14.135 -2.294 146 HG2 GLU 18 HG2 GLU 18 1.498 -16.245 -2.223 147 HG3 GLU 18 HG3 GLU 18 0.130 -16.149 -1.109 148 H ALA 19 H ALA 19 -0.697 -15.355 -5.025 149 HA ALA 19 HA ALA 19 -1.481 -13.284 -6.928 150 HB1 ALA 19 HB1 ALA 19 -2.944 -15.084 -7.830 151 HB2 ALA 19 HB2 ALA 19 -1.259 -15.583 -7.675 152 HB3 ALA 19 HB3 ALA 19 -2.468 -16.137 -6.483 153 H ASP 20 H ASP 20 -2.696 -14.318 -3.827 154 HA ASP 20 HA ASP 20 -5.445 -13.380 -4.314 155 HB2 ASP 20 HB2 ASP 20 -4.125 -15.151 -2.455 156 HB3 ASP 20 HB3 ASP 20 -4.921 -13.874 -1.547 157 H GLU 21 H GLU 21 -2.727 -11.756 -4.065 158 HA GLU 21 HA GLU 21 -3.616 -9.655 -2.205 159 HB2 GLU 21 HB2 GLU 21 -0.834 -9.783 -3.278 160 HB3 GLU 21 HB3 GLU 21 -1.411 -9.196 -1.728 161 HG2 GLU 21 HG2 GLU 21 -1.013 -12.046 -2.580 162 HG3 GLU 21 HG3 GLU 21 -0.073 -11.161 -1.406 163 H LEU 22 H LEU 22 -2.652 -7.453 -3.014 164 HA LEU 22 HA LEU 22 -4.016 -6.733 -5.493 165 HB2 LEU 22 HB2 LEU 22 -3.391 -5.461 -2.971 166 HB3 LEU 22 HB3 LEU 22 -2.531 -4.550 -4.185 167 HG LEU 22 HG LEU 22 -5.467 -5.206 -4.120 168 HD11 LEU 22 HD11 LEU 22 -5.836 -2.837 -3.589 169 HD12 LEU 22 HD12 LEU 22 -4.079 -2.563 -3.582 170 HD13 LEU 22 HD13 LEU 22 -4.831 -3.623 -2.368 171 HD21 LEU 22 HD21 LEU 22 -4.789 -4.867 -6.478 172 HD22 LEU 22 HD22 LEU 22 -3.974 -3.352 -6.032 173 HD23 LEU 22 HD23 LEU 22 -5.738 -3.494 -5.923 174 H SER 23 H SER 23 -2.785 -4.882 -6.771 175 HA SER 23 HA SER 23 0.082 -5.355 -7.106 176 HB2 SER 23 HB2 SER 23 -1.175 -6.983 -8.563 177 HB3 SER 23 HB3 SER 23 -2.117 -5.627 -9.211 178 HG SER 23 HG SER 23 0.450 -6.478 -9.718 179 H PHE 24 H PHE 24 1.011 -3.227 -7.493 180 HA PHE 24 HA PHE 24 -0.735 -1.205 -8.733 181 HB2 PHE 24 HB2 PHE 24 -0.144 0.465 -7.098 182 HB3 PHE 24 HB3 PHE 24 -1.147 -0.822 -6.462 183 HD1 PHE 24 HD1 PHE 24 2.501 0.141 -6.710 184 HD2 PHE 24 HD2 PHE 24 -0.614 -1.677 -4.310 185 HE1 PHE 24 HE1 PHE 24 3.982 0.128 -4.760 186 HE2 PHE 24 HE2 PHE 24 0.958 -1.695 -2.384 187 HZ PHE 24 HZ PHE 24 3.231 -0.767 -2.586 188 H LYS 25 H LYS 25 0.916 0.846 -9.134 189 HA LYS 25 HA LYS 25 3.573 -0.221 -9.945 190 HB2 LYS 25 HB2 LYS 25 1.754 1.517 -11.670 191 HB3 LYS 25 HB3 LYS 25 3.353 0.915 -12.107 192 HG2 LYS 25 HG2 LYS 25 0.897 -0.848 -11.637 193 HG3 LYS 25 HG3 LYS 25 1.409 -0.256 -13.199 194 HD2 LYS 25 HD2 LYS 25 3.600 -1.662 -11.761 195 HD3 LYS 25 HD3 LYS 25 2.161 -2.655 -12.002 196 HE2 LYS 25 HE2 LYS 25 3.623 -2.963 -13.909 197 HE3 LYS 25 HE3 LYS 25 2.150 -2.130 -14.402 198 HZ1 LYS 25 HZ1 LYS 25 3.402 -0.037 -14.347 199 HZ2 LYS 25 HZ2 LYS 25 4.049 -1.101 -15.399 200 HZ3 LYS 25 HZ3 LYS 25 4.782 -0.869 -13.972 201 H ALA 26 H ALA 26 5.179 1.605 -10.246 202 HA ALA 26 HA ALA 26 4.955 3.503 -8.164 203 HB1 ALA 26 HB1 ALA 26 6.722 3.495 -10.642 204 HB2 ALA 26 HB2 ALA 26 6.935 4.576 -9.245 205 HB3 ALA 26 HB3 ALA 26 7.130 2.825 -9.049 206 H GLY 27 H GLY 27 3.645 5.206 -8.060 207 HA2 GLY 27 HA2 GLY 27 3.006 7.407 -8.812 208 HA3 GLY 27 HA3 GLY 27 2.941 6.819 -10.481 209 H GLU 28 H GLU 28 1.584 4.229 -9.129 210 HA GLU 28 HA GLU 28 -1.088 5.069 -9.779 211 HB2 GLU 28 HB2 GLU 28 0.140 2.673 -9.833 212 HB3 GLU 28 HB3 GLU 28 -0.466 2.571 -8.182 213 HG2 GLU 28 HG2 GLU 28 -2.073 1.534 -9.630 214 HG3 GLU 28 HG3 GLU 28 -2.784 3.067 -9.127 215 H GLU 29 H GLU 29 -2.887 5.264 -8.265 216 HA GLU 29 HA GLU 29 -2.060 5.788 -5.456 217 HB2 GLU 29 HB2 GLU 29 -4.055 7.244 -7.172 218 HB3 GLU 29 HB3 GLU 29 -3.828 7.502 -5.434 219 HG2 GLU 29 HG2 GLU 29 -1.410 8.099 -5.948 220 HG3 GLU 29 HG3 GLU 29 -1.840 8.097 -7.667 221 H LEU 30 H LEU 30 -2.818 4.214 -4.287 222 HA LEU 30 HA LEU 30 -5.446 2.942 -4.925 223 HB2 LEU 30 HB2 LEU 30 -4.592 1.264 -3.190 224 HB3 LEU 30 HB3 LEU 30 -3.912 1.178 -4.828 225 HG LEU 30 HG LEU 30 -2.434 2.777 -2.753 226 HD11 LEU 30 HD11 LEU 30 -2.986 0.776 -1.495 227 HD12 LEU 30 HD12 LEU 30 -1.291 0.718 -1.966 228 HD13 LEU 30 HD13 LEU 30 -2.467 -0.268 -2.852 229 HD21 LEU 30 HD21 LEU 30 -0.465 1.765 -3.976 230 HD22 LEU 30 HD22 LEU 30 -1.508 2.704 -5.039 231 HD23 LEU 30 HD23 LEU 30 -1.609 0.938 -5.038 232 H MET 31 H MET 31 -6.826 2.390 -3.060 233 HA MET 31 HA MET 31 -6.736 4.492 -0.981 234 HB2 MET 31 HB2 MET 31 -9.309 3.167 -1.773 235 HB3 MET 31 HB3 MET 31 -9.019 4.693 -0.988 236 HG2 MET 31 HG2 MET 31 -8.398 4.083 -3.908 237 HG3 MET 31 HG3 MET 31 -9.809 4.951 -3.325 238 HE1 MET 31 HE1 MET 31 -9.037 7.114 -1.281 239 HE2 MET 31 HE2 MET 31 -8.745 8.389 -2.501 240 HE3 MET 31 HE3 MET 31 -10.010 7.190 -2.785 241 H LYS 32 H LYS 32 -5.909 3.536 0.798 242 HA LYS 32 HA LYS 32 -6.142 0.725 1.434 243 HB2 LYS 32 HB2 LYS 32 -4.428 2.305 2.280 244 HB3 LYS 32 HB3 LYS 32 -5.670 3.152 3.206 245 HG2 LYS 32 HG2 LYS 32 -6.154 1.006 4.480 246 HG3 LYS 32 HG3 LYS 32 -4.802 0.256 3.625 247 HD2 LYS 32 HD2 LYS 32 -4.019 0.929 5.790 248 HD3 LYS 32 HD3 LYS 32 -3.311 2.064 4.622 249 HE2 LYS 32 HE2 LYS 32 -5.349 3.583 5.176 250 HE3 LYS 32 HE3 LYS 32 -5.656 2.442 6.501 251 HZ1 LYS 32 HZ1 LYS 32 -3.401 2.927 7.269 252 HZ2 LYS 32 HZ2 LYS 32 -4.366 4.254 7.307 253 HZ3 LYS 32 HZ3 LYS 32 -3.229 4.075 6.111 254 H ILE 33 H ILE 33 -7.614 -0.299 3.052 255 HA ILE 33 HA ILE 33 -9.853 1.444 3.925 256 HB ILE 33 HB ILE 33 -11.502 0.034 3.283 257 HG12 ILE 33 HG12 ILE 33 -9.644 -2.135 2.256 258 HG13 ILE 33 HG13 ILE 33 -10.411 -2.164 3.826 259 HG21 ILE 33 HG21 ILE 33 -10.654 1.461 1.489 260 HG22 ILE 33 HG22 ILE 33 -9.751 0.091 0.824 261 HG23 ILE 33 HG23 ILE 33 -11.525 0.048 0.898 262 HD11 ILE 33 HD11 ILE 33 -11.876 -2.204 1.178 263 HD12 ILE 33 HD12 ILE 33 -11.709 -3.501 2.379 264 HD13 ILE 33 HD13 ILE 33 -12.646 -2.058 2.778 265 H SER 34 H SER 34 -7.468 -0.714 4.974 266 HA SER 34 HA SER 34 -8.924 -1.233 7.509 267 HB2 SER 34 HB2 SER 34 -7.248 -3.105 5.766 268 HB3 SER 34 HB3 SER 34 -7.630 -3.453 7.455 269 HG SER 34 HG SER 34 -9.770 -3.514 6.989 270 H GLU 35 H GLU 35 -6.993 -2.159 9.104 271 HA GLU 35 HA GLU 35 -5.085 0.072 9.236 272 HB2 GLU 35 HB2 GLU 35 -6.459 -1.532 11.128 273 HB3 GLU 35 HB3 GLU 35 -4.790 -2.057 11.241 274 HG2 GLU 35 HG2 GLU 35 -4.837 -0.303 12.759 275 HG3 GLU 35 HG3 GLU 35 -4.225 0.504 11.314 276 H GLU 36 H GLU 36 -2.727 -0.618 9.996 277 HA GLU 36 HA GLU 36 -1.643 -2.461 7.969 278 HB2 GLU 36 HB2 GLU 36 -0.769 -0.160 8.297 279 HB3 GLU 36 HB3 GLU 36 -0.249 -0.583 9.930 280 HG2 GLU 36 HG2 GLU 36 1.341 -2.188 9.048 281 HG3 GLU 36 HG3 GLU 36 0.648 -2.088 7.426 282 H ASP 37 H ASP 37 -0.426 -4.236 8.533 283 HA ASP 37 HA ASP 37 -0.824 -5.373 11.261 284 HB2 ASP 37 HB2 ASP 37 -0.173 -6.559 8.550 285 HB3 ASP 37 HB3 ASP 37 -0.108 -7.503 10.036 286 H GLU 38 H GLU 38 0.991 -6.912 11.891 287 HA GLU 38 HA GLU 38 3.428 -5.668 12.373 288 HB2 GLU 38 HB2 GLU 38 4.122 -7.961 13.125 289 HB3 GLU 38 HB3 GLU 38 2.559 -7.438 13.758 290 HG2 GLU 38 HG2 GLU 38 1.366 -8.828 12.098 291 HG3 GLU 38 HG3 GLU 38 2.898 -9.278 11.338 292 H GLN 39 H GLN 39 2.498 -7.202 9.464 293 HA GLN 39 HA GLN 39 5.306 -7.622 8.521 294 HB2 GLN 39 HB2 GLN 39 2.604 -8.778 7.806 295 HB3 GLN 39 HB3 GLN 39 3.758 -8.599 6.511 296 HG2 GLN 39 HG2 GLN 39 4.148 -10.370 8.941 297 HG3 GLN 39 HG3 GLN 39 3.817 -10.824 7.309 298 HE21 GLN 39 HE21 GLN 39 6.389 -9.481 9.483 299 HE22 GLN 39 HE22 GLN 39 7.650 -9.707 8.297 300 H GLY 40 H GLY 40 3.210 -5.062 8.711 301 HA2 GLY 40 HA2 GLY 40 3.146 -3.131 7.573 302 HA3 GLY 40 HA3 GLY 40 4.462 -3.697 6.520 303 H TRP 41 H TRP 41 1.456 -5.494 7.033 304 HA TRP 41 HA TRP 41 0.801 -5.369 4.151 305 HB2 TRP 41 HB2 TRP 41 0.186 -7.153 6.498 306 HB3 TRP 41 HB3 TRP 41 -1.090 -6.968 5.322 307 HD1 TRP 41 HD1 TRP 41 1.258 -9.389 6.068 308 HE1 TRP 41 HE1 TRP 41 1.868 -10.837 4.032 309 HE3 TRP 41 HE3 TRP 41 -0.314 -6.258 2.376 310 HZ2 TRP 41 HZ2 TRP 41 2.082 -10.466 1.231 311 HZ3 TRP 41 HZ3 TRP 41 0.107 -6.842 -0.015 312 HH2 TRP 41 HH2 TRP 41 1.181 -8.859 -0.624 313 H CYS 42 H CYS 42 -1.077 -4.377 3.414 314 HA CYS 42 HA CYS 42 -3.002 -3.351 5.393 315 HB2 CYS 42 HB2 CYS 42 -1.385 -1.784 3.363 316 HB3 CYS 42 HB3 CYS 42 -3.070 -1.331 3.680 317 HG CYS 42 HG CYS 42 -1.329 0.203 4.955 318 H LYS 43 H LYS 43 -5.089 -3.426 4.570 319 HA LYS 43 HA LYS 43 -5.414 -4.779 1.940 320 HB2 LYS 43 HB2 LYS 43 -6.346 -5.531 4.471 321 HB3 LYS 43 HB3 LYS 43 -7.750 -4.725 3.775 322 HG2 LYS 43 HG2 LYS 43 -6.242 -6.703 2.069 323 HG3 LYS 43 HG3 LYS 43 -7.168 -7.353 3.415 324 HD2 LYS 43 HD2 LYS 43 -9.229 -6.527 2.524 325 HD3 LYS 43 HD3 LYS 43 -8.378 -5.484 1.371 326 HE2 LYS 43 HE2 LYS 43 -9.303 -7.446 0.229 327 HE3 LYS 43 HE3 LYS 43 -7.545 -7.382 0.138 328 HZ1 LYS 43 HZ1 LYS 43 -9.072 -9.120 1.993 329 HZ2 LYS 43 HZ2 LYS 43 -7.426 -9.115 1.786 330 HZ3 LYS 43 HZ3 LYS 43 -8.415 -9.576 0.573 331 H GLY 44 H GLY 44 -6.522 -3.720 0.338 332 HA2 GLY 44 HA2 GLY 44 -8.182 -1.404 0.994 333 HA3 GLY 44 HA3 GLY 44 -6.642 -1.025 0.278 334 H ARG 45 H ARG 45 -8.275 -0.111 -1.256 335 HA ARG 45 HA ARG 45 -8.902 -2.089 -3.375 336 HB2 ARG 45 HB2 ARG 45 -10.523 0.284 -2.384 337 HB3 ARG 45 HB3 ARG 45 -10.693 -0.279 -4.045 338 HG2 ARG 45 HG2 ARG 45 -11.438 -2.462 -3.346 339 HG3 ARG 45 HG3 ARG 45 -11.194 -2.040 -1.629 340 HD2 ARG 45 HD2 ARG 45 -12.833 -0.150 -1.937 341 HD3 ARG 45 HD3 ARG 45 -13.149 -0.734 -3.577 342 HE ARG 45 HE ARG 45 -13.635 -2.975 -2.172 343 HH11 ARG 45 HH11 ARG 45 -14.935 0.360 -1.665 344 HH12 ARG 45 HH12 ARG 45 -16.278 -0.242 -0.745 345 HH21 ARG 45 HH21 ARG 45 -15.430 -3.638 -1.163 346 HH22 ARG 45 HH22 ARG 45 -16.724 -2.580 -0.705 347 H LEU 46 H LEU 46 -8.883 -1.076 -5.533 348 HA LEU 46 HA LEU 46 -6.819 1.097 -5.707 349 HB2 LEU 46 HB2 LEU 46 -7.123 -1.411 -7.160 350 HB3 LEU 46 HB3 LEU 46 -7.175 -0.064 -8.289 351 HG LEU 46 HG LEU 46 -5.035 -0.461 -6.183 352 HD11 LEU 46 HD11 LEU 46 -4.865 -0.983 -9.168 353 HD12 LEU 46 HD12 LEU 46 -4.979 -2.240 -7.940 354 HD13 LEU 46 HD13 LEU 46 -3.564 -1.170 -7.988 355 HD21 LEU 46 HD21 LEU 46 -5.242 1.942 -6.949 356 HD22 LEU 46 HD22 LEU 46 -5.074 1.388 -8.628 357 HD23 LEU 46 HD23 LEU 46 -3.735 1.202 -7.485 358 H LEU 47 H LEU 47 -7.211 2.454 -7.902 359 HA LEU 47 HA LEU 47 -9.735 3.743 -7.507 360 HB2 LEU 47 HB2 LEU 47 -9.227 4.989 -9.579 361 HB3 LEU 47 HB3 LEU 47 -8.040 5.119 -8.316 362 HG LEU 47 HG LEU 47 -7.341 2.933 -10.156 363 HD11 LEU 47 HD11 LEU 47 -8.571 4.309 -11.814 364 HD12 LEU 47 HD12 LEU 47 -6.831 4.328 -12.128 365 HD13 LEU 47 HD13 LEU 47 -7.604 5.729 -11.355 366 HD21 LEU 47 HD21 LEU 47 -5.784 3.917 -8.594 367 HD22 LEU 47 HD22 LEU 47 -5.964 5.515 -9.332 368 HD23 LEU 47 HD23 LEU 47 -5.210 4.188 -10.244 369 H THR 48 H THR 48 -8.703 1.228 -9.821 370 HA THR 48 HA THR 48 -11.121 1.324 -11.378 371 HB THR 48 HB THR 48 -8.831 0.497 -12.043 372 HG1 THR 48 HG1 THR 48 -10.956 -1.311 -12.508 373 HG21 THR 48 HG21 THR 48 -9.614 -2.083 -10.633 374 HG22 THR 48 HG22 THR 48 -8.337 -0.959 -10.096 375 HG23 THR 48 HG23 THR 48 -8.185 -1.809 -11.638 376 H GLY 49 H GLY 49 -10.813 0.473 -8.120 377 HA2 GLY 49 HA2 GLY 49 -12.458 -0.422 -6.804 378 HA3 GLY 49 HA3 GLY 49 -13.251 -1.138 -8.211 379 H HIS 50 H HIS 50 -9.937 -1.922 -8.350 380 HA HIS 50 HA HIS 50 -10.321 -4.678 -7.933 381 HB2 HIS 50 HB2 HIS 50 -8.295 -3.099 -8.942 382 HB3 HIS 50 HB3 HIS 50 -7.607 -3.544 -7.392 383 HD1 HIS 50 HD1 HIS 50 -8.563 -5.031 -10.792 384 HD2 HIS 50 HD2 HIS 50 -6.850 -6.123 -7.069 385 HE1 HIS 50 HE1 HIS 50 -7.461 -7.281 -11.122 386 H VAL 51 H VAL 51 -9.656 -6.046 -6.064 387 HA VAL 51 HA VAL 51 -9.217 -4.568 -3.526 388 HB VAL 51 HB VAL 51 -11.468 -4.963 -3.349 389 HG11 VAL 51 HG11 VAL 51 -11.222 -7.713 -4.622 390 HG12 VAL 51 HG12 VAL 51 -12.701 -7.021 -3.941 391 HG13 VAL 51 HG13 VAL 51 -11.965 -6.265 -5.352 392 HG21 VAL 51 HG21 VAL 51 -11.845 -6.628 -1.680 393 HG22 VAL 51 HG22 VAL 51 -10.489 -7.617 -2.234 394 HG23 VAL 51 HG23 VAL 51 -10.182 -6.059 -1.453 395 H GLY 52 H GLY 52 -7.655 -5.386 -2.235 396 HA2 GLY 52 HA2 GLY 52 -6.932 -8.112 -2.027 397 HA3 GLY 52 HA3 GLY 52 -5.867 -7.356 -3.217 398 H LEU 53 H LEU 53 -4.462 -8.204 -1.304 399 HA LEU 53 HA LEU 53 -4.091 -6.320 0.948 400 HB2 LEU 53 HB2 LEU 53 -3.359 -9.151 0.259 401 HB3 LEU 53 HB3 LEU 53 -2.132 -8.271 1.140 402 HG LEU 53 HG LEU 53 -4.998 -8.405 2.109 403 HD11 LEU 53 HD11 LEU 53 -4.114 -10.665 1.902 404 HD12 LEU 53 HD12 LEU 53 -4.299 -10.199 3.608 405 HD13 LEU 53 HD13 LEU 53 -2.688 -10.219 2.839 406 HD21 LEU 53 HD21 LEU 53 -3.538 -6.582 3.040 407 HD22 LEU 53 HD22 LEU 53 -2.380 -7.819 3.557 408 HD23 LEU 53 HD23 LEU 53 -4.003 -7.749 4.258 409 H TYR 54 H TYR 54 -2.392 -4.813 0.791 410 HA TYR 54 HA TYR 54 -0.549 -5.082 -1.497 411 HB2 TYR 54 HB2 TYR 54 -0.754 -2.865 -2.068 412 HB3 TYR 54 HB3 TYR 54 -2.381 -3.417 -1.911 413 HD1 TYR 54 HD1 TYR 54 -3.887 -2.403 -0.236 414 HD2 TYR 54 HD2 TYR 54 0.320 -1.419 -0.287 415 HE1 TYR 54 HE1 TYR 54 -4.280 -0.566 1.381 416 HE2 TYR 54 HE2 TYR 54 -0.079 0.327 1.368 417 HH TYR 54 HH TYR 54 -1.554 1.444 2.700 418 HA PRO 55 HA PRO 55 2.213 -4.494 2.007 419 HB2 PRO 55 HB2 PRO 55 4.604 -4.019 0.826 420 HB3 PRO 55 HB3 PRO 55 3.761 -5.602 0.749 421 HG2 PRO 55 HG2 PRO 55 3.845 -3.422 -1.322 422 HG3 PRO 55 HG3 PRO 55 4.071 -5.167 -1.572 423 HD2 PRO 55 HD2 PRO 55 1.656 -3.917 -2.011 424 HD3 PRO 55 HD3 PRO 55 1.789 -5.605 -1.433 425 H ALA 56 H ALA 56 1.820 -2.752 3.238 426 HA ALA 56 HA ALA 56 1.524 -0.065 2.463 427 HB1 ALA 56 HB1 ALA 56 2.372 -1.107 5.185 428 HB2 ALA 56 HB2 ALA 56 1.474 0.378 4.848 429 HB3 ALA 56 HB3 ALA 56 0.719 -1.211 4.588 430 H ASN 57 H ASN 57 4.364 -1.872 3.285 431 HA ASN 57 HA ASN 57 6.101 0.351 3.825 432 HB2 ASN 57 HB2 ASN 57 7.358 -2.093 2.644 433 HB3 ASN 57 HB3 ASN 57 7.754 -1.130 4.049 434 HD21 ASN 57 HD21 ASN 57 5.720 -3.864 2.872 435 HD22 ASN 57 HD22 ASN 57 5.255 -4.366 4.492 436 H TYR 58 H TYR 58 4.793 -0.780 0.793 437 HA TYR 58 HA TYR 58 7.005 0.499 -0.729 438 HB2 TYR 58 HB2 TYR 58 4.969 -1.577 -1.540 439 HB3 TYR 58 HB3 TYR 58 6.092 -0.773 -2.616 440 HD1 TYR 58 HD1 TYR 58 6.341 -2.715 0.637 441 HD2 TYR 58 HD2 TYR 58 7.818 -2.122 -3.358 442 HE1 TYR 58 HE1 TYR 58 8.093 -4.409 1.043 443 HE2 TYR 58 HE2 TYR 58 9.646 -3.712 -2.906 444 HH TYR 58 HH TYR 58 9.888 -5.787 -0.103 445 H VAL 59 H VAL 59 4.335 1.631 0.634 446 HA VAL 59 HA VAL 59 3.714 3.397 -1.655 447 HB VAL 59 HB VAL 59 1.999 1.397 -1.199 448 HG11 VAL 59 HG11 VAL 59 1.025 3.494 0.791 449 HG12 VAL 59 HG12 VAL 59 0.137 2.085 0.235 450 HG13 VAL 59 HG13 VAL 59 1.630 1.869 1.192 451 HG21 VAL 59 HG21 VAL 59 0.118 2.762 -1.959 452 HG22 VAL 59 HG22 VAL 59 1.073 4.230 -1.690 453 HG23 VAL 59 HG23 VAL 59 1.566 3.002 -2.894 454 H GLU 60 H GLU 60 2.913 5.573 -0.876 455 HA GLU 60 HA GLU 60 3.262 6.033 2.020 456 HB2 GLU 60 HB2 GLU 60 5.493 6.291 1.014 457 HB3 GLU 60 HB3 GLU 60 4.868 7.455 -0.166 458 HG2 GLU 60 HG2 GLU 60 4.531 9.114 1.494 459 HG3 GLU 60 HG3 GLU 60 4.492 7.942 2.797 460 H LYS 61 H LYS 61 2.630 8.394 2.497 461 HA LYS 61 HA LYS 61 0.040 8.832 1.265 462 HB2 LYS 61 HB2 LYS 61 1.586 10.198 3.478 463 HB3 LYS 61 HB3 LYS 61 0.359 11.134 2.611 464 HG2 LYS 61 HG2 LYS 61 -1.167 9.040 2.938 465 HG3 LYS 61 HG3 LYS 61 -0.029 8.621 4.227 466 HD2 LYS 61 HD2 LYS 61 -1.859 11.032 3.936 467 HD3 LYS 61 HD3 LYS 61 -1.855 9.804 5.210 468 HE2 LYS 61 HE2 LYS 61 0.394 10.639 5.939 469 HE3 LYS 61 HE3 LYS 61 0.307 11.899 4.686 470 HZ1 LYS 61 HZ1 LYS 61 -1.731 11.615 6.804 471 HZ2 LYS 61 HZ2 LYS 61 -1.487 12.895 5.779 472 HZ3 LYS 61 HZ3 LYS 61 -0.402 12.609 6.948 473 H VAL 62 H VAL 62 -0.642 10.837 0.360 474 HA VAL 62 HA VAL 62 1.444 12.252 -1.082 475 HB VAL 62 HB VAL 62 0.996 10.302 -2.441 476 HG11 VAL 62 HG11 VAL 62 -1.094 9.666 -3.401 477 HG12 VAL 62 HG12 VAL 62 -1.396 9.867 -1.680 478 HG13 VAL 62 HG13 VAL 62 -1.902 11.116 -2.852 479 HG21 VAL 62 HG21 VAL 62 1.526 12.452 -3.517 480 HG22 VAL 62 HG22 VAL 62 0.584 11.358 -4.535 481 HG23 VAL 62 HG23 VAL 62 -0.211 12.746 -3.768 482 H GLY 63 H GLY 63 -2.137 11.926 -1.220 483 HA2 GLY 63 HA2 GLY 63 -3.806 13.439 -0.832 484 HA3 GLY 63 HA3 GLY 63 -2.660 14.315 0.200 485 H LEU 64 H LEU 64 -3.970 16.086 -0.720 486 HA LEU 64 HA LEU 64 -3.615 16.931 -3.485 487 HB2 LEU 64 HB2 LEU 64 -4.479 18.457 -0.984 488 HB3 LEU 64 HB3 LEU 64 -4.624 19.048 -2.646 489 HG LEU 64 HG LEU 64 -6.072 16.604 -1.522 490 HD11 LEU 64 HD11 LEU 64 -7.103 19.377 -2.222 491 HD12 LEU 64 HD12 LEU 64 -6.897 18.717 -0.577 492 HD13 LEU 64 HD13 LEU 64 -8.083 17.998 -1.678 493 HD21 LEU 64 HD21 LEU 64 -6.229 17.983 -4.241 494 HD22 LEU 64 HD22 LEU 64 -7.364 16.755 -3.654 495 HD23 LEU 64 HD23 LEU 64 -5.679 16.326 -3.905 496 H ALA 65 H ALA 65 -2.577 19.112 -3.948 497 HA ALA 65 HA ALA 65 0.141 19.080 -2.920 498 HB1 ALA 65 HB1 ALA 65 -0.383 19.418 -5.308 499 HB2 ALA 65 HB2 ALA 65 -1.181 20.951 -4.897 500 HB3 ALA 65 HB3 ALA 65 0.563 20.738 -4.606 501 H ALA 66 H ALA 66 -0.945 19.504 -0.632 502 HA ALA 66 HA ALA 66 -0.251 22.158 0.200 503 HB1 ALA 66 HB1 ALA 66 -2.400 22.887 1.057 504 HB2 ALA 66 HB2 ALA 66 -2.641 22.550 -0.664 505 HB3 ALA 66 HB3 ALA 66 -3.184 21.378 0.558 506 H ALA 67 H ALA 67 -0.070 22.223 2.472 507 HA ALA 67 HA ALA 67 0.449 21.379 4.516 508 HB1 ALA 67 HB1 ALA 67 -1.967 21.855 4.783 509 HB2 ALA 67 HB2 ALA 67 -2.354 20.202 4.256 510 HB3 ALA 67 HB3 ALA 67 -1.466 20.482 5.775 511 H1 THR 101 H THR 101 -4.193 -9.898 7.573 512 HA THR 101 HA THR 101 -2.091 -10.210 6.413 513 HB THR 101 HB THR 101 -1.115 -10.564 9.261 514 HG1 THR 101 HG1 THR 101 -1.142 -8.508 7.993 515 HG21 THR 101 HG21 THR 101 0.010 -12.425 8.138 516 HG22 THR 101 HG22 THR 101 1.144 -11.087 8.338 517 HG23 THR 101 HG23 THR 101 0.404 -11.369 6.758 518 H LYS 102 H LYS 102 -1.263 -12.304 5.764 519 HA LYS 102 HA LYS 102 -2.527 -14.729 6.790 520 HB2 LYS 102 HB2 LYS 102 -3.494 -15.308 4.556 521 HB3 LYS 102 HB3 LYS 102 -4.312 -13.972 5.363 522 HG2 LYS 102 HG2 LYS 102 -3.420 -12.336 3.978 523 HG3 LYS 102 HG3 LYS 102 -2.104 -13.349 3.393 524 HD2 LYS 102 HD2 LYS 102 -5.042 -13.819 2.720 525 HD3 LYS 102 HD3 LYS 102 -3.884 -12.917 1.718 526 HE2 LYS 102 HE2 LYS 102 -2.378 -15.024 1.897 527 HE3 LYS 102 HE3 LYS 102 -3.850 -15.871 2.402 528 HZ1 LYS 102 HZ1 LYS 102 -3.481 -15.982 0.024 529 HZ2 LYS 102 HZ2 LYS 102 -3.484 -14.337 -0.105 530 HZ3 LYS 102 HZ3 LYS 102 -4.867 -15.165 0.336 531 H GLY 103 H GLY 103 0.263 -13.281 5.900 532 HA2 GLY 103 HA2 GLY 103 1.796 -15.493 5.658 533 HA3 GLY 103 HA3 GLY 103 1.402 -15.032 3.979 534 HA PRO 104 HA PRO 104 4.643 -12.173 5.892 535 HB2 PRO 104 HB2 PRO 104 6.985 -13.086 4.782 536 HB3 PRO 104 HB3 PRO 104 6.295 -13.716 6.308 537 HG2 PRO 104 HG2 PRO 104 6.094 -14.893 3.532 538 HG3 PRO 104 HG3 PRO 104 6.423 -15.727 5.086 539 HD2 PRO 104 HD2 PRO 104 3.929 -15.646 3.916 540 HD3 PRO 104 HD3 PRO 104 4.181 -15.707 5.676 541 H ALA 105 H ALA 105 4.804 -10.378 4.892 542 HA ALA 105 HA ALA 105 4.115 -9.716 2.232 543 HB1 ALA 105 HB1 ALA 105 5.460 -8.267 4.586 544 HB2 ALA 105 HB2 ALA 105 4.773 -7.405 3.214 545 HB3 ALA 105 HB3 ALA 105 3.721 -8.321 4.268 546 HA PRO 106 HA PRO 106 8.203 -9.622 0.359 547 HB2 PRO 106 HB2 PRO 106 8.145 -7.507 -1.327 548 HB3 PRO 106 HB3 PRO 106 7.009 -8.907 -1.354 549 HG2 PRO 106 HG2 PRO 106 6.470 -6.198 -0.171 550 HG3 PRO 106 HG3 PRO 106 5.509 -7.062 -1.418 551 HD2 PRO 106 HD2 PRO 106 5.016 -7.227 1.258 552 HD3 PRO 106 HD3 PRO 106 4.648 -8.564 0.168 553 H ASN 107 H ASN 107 7.458 -7.761 2.549 554 HA ASN 107 HA ASN 107 9.376 -5.567 2.630 555 HB2 ASN 107 HB2 ASN 107 8.415 -4.739 4.402 556 HB3 ASN 107 HB3 ASN 107 7.090 -5.874 4.020 557 HD21 ASN 107 HD21 ASN 107 7.353 -4.548 6.504 558 HD22 ASN 107 HD22 ASN 107 7.748 -5.745 7.696 559 HA PRO 108 HA PRO 108 10.331 -4.542 5.339 560 HB2 PRO 108 HB2 PRO 108 12.948 -3.641 5.345 561 HB3 PRO 108 HB3 PRO 108 12.161 -4.560 6.654 562 HG2 PRO 108 HG2 PRO 108 13.916 -5.620 4.424 563 HG3 PRO 108 HG3 PRO 108 14.022 -5.949 6.175 564 HD2 PRO 108 HD2 PRO 108 12.732 -7.699 4.602 565 HD3 PRO 108 HD3 PRO 108 11.950 -7.201 6.120 566 HA PRO 109 HA PRO 109 10.194 -2.252 1.610 567 HB2 PRO 109 HB2 PRO 109 10.916 0.332 2.314 568 HB3 PRO 109 HB3 PRO 109 9.357 -0.427 2.663 569 HG2 PRO 109 HG2 PRO 109 11.734 -0.137 4.497 570 HG3 PRO 109 HG3 PRO 109 10.011 0.147 4.857 571 HD2 PRO 109 HD2 PRO 109 11.290 -2.155 5.513 572 HD3 PRO 109 HD3 PRO 109 9.585 -2.174 5.001 573 HA PRO 110 HA PRO 110 14.123 -1.880 -0.357 574 HB2 PRO 110 HB2 PRO 110 13.656 -0.211 -2.478 575 HB3 PRO 110 HB3 PRO 110 12.969 -1.851 -2.346 576 HG2 PRO 110 HG2 PRO 110 11.617 0.785 -1.729 577 HG3 PRO 110 HG3 PRO 110 10.967 -0.629 -2.605 578 HD2 PRO 110 HD2 PRO 110 10.467 -0.123 0.058 579 HD3 PRO 110 HD3 PRO 110 10.513 -1.770 -0.630 580 H ILE 111 H ILE 111 12.933 1.542 -0.704 581 HA ILE 111 HA ILE 111 15.146 2.492 1.028 582 HB ILE 111 HB ILE 111 15.721 4.187 -0.641 583 HG12 ILE 111 HG12 ILE 111 13.861 2.689 -2.577 584 HG13 ILE 111 HG13 ILE 111 13.539 4.261 -1.831 585 HG21 ILE 111 HG21 ILE 111 15.917 1.410 -1.873 586 HG22 ILE 111 HG22 ILE 111 17.020 2.770 -2.082 587 HG23 ILE 111 HG23 ILE 111 16.919 1.982 -0.507 588 HD11 ILE 111 HD11 ILE 111 15.827 3.684 -3.739 589 HD12 ILE 111 HD12 ILE 111 14.326 4.538 -4.096 590 HD13 ILE 111 HD13 ILE 111 15.478 5.244 -2.942 591 H LEU 112 H LEU 112 12.265 2.202 1.464 592 HA LEU 112 HA LEU 112 10.830 4.619 1.231 593 HB2 LEU 112 HB2 LEU 112 10.050 2.266 1.869 594 HB3 LEU 112 HB3 LEU 112 10.548 2.645 3.514 595 HG LEU 112 HG LEU 112 8.205 2.851 3.332 596 HD11 LEU 112 HD11 LEU 112 9.046 5.752 3.209 597 HD12 LEU 112 HD12 LEU 112 9.307 4.708 4.629 598 HD13 LEU 112 HD13 LEU 112 7.668 5.044 4.039 599 HD21 LEU 112 HD21 LEU 112 7.015 4.292 1.753 600 HD22 LEU 112 HD22 LEU 112 7.940 3.024 0.925 601 HD23 LEU 112 HD23 LEU 112 8.552 4.699 0.942 602 H LYS 113 H LYS 113 13.113 3.578 3.861 603 HA LYS 113 HA LYS 113 13.043 6.415 4.826 604 HB2 LYS 113 HB2 LYS 113 11.898 4.798 6.338 605 HB3 LYS 113 HB3 LYS 113 13.397 3.884 6.463 606 HG2 LYS 113 HG2 LYS 113 14.311 6.404 7.161 607 HG3 LYS 113 HG3 LYS 113 12.622 6.529 7.619 608 HD2 LYS 113 HD2 LYS 113 13.414 5.734 9.556 609 HD3 LYS 113 HD3 LYS 113 13.129 4.171 8.828 610 HE2 LYS 113 HE2 LYS 113 15.783 5.693 8.896 611 HE3 LYS 113 HE3 LYS 113 15.330 4.405 10.005 612 HZ1 LYS 113 HZ1 LYS 113 16.741 3.561 8.276 613 HZ2 LYS 113 HZ2 LYS 113 15.777 4.127 7.098 614 HZ3 LYS 113 HZ3 LYS 113 15.270 2.892 8.057 615 H VAL 114 H VAL 114 14.873 7.026 3.524 616 HA VAL 114 HA VAL 114 17.382 5.528 3.841 617 HB VAL 114 HB VAL 114 16.697 8.149 2.488 618 HG11 VAL 114 HG11 VAL 114 19.029 8.311 3.247 619 HG12 VAL 114 HG12 VAL 114 19.390 6.726 2.532 620 HG13 VAL 114 HG13 VAL 114 18.961 8.108 1.500 621 HG21 VAL 114 HG21 VAL 114 17.524 5.447 1.352 622 HG22 VAL 114 HG22 VAL 114 15.872 6.086 1.367 623 HG23 VAL 114 HG23 VAL 114 17.118 6.898 0.417 624 H TRP 115 H TRP 115 16.611 8.948 4.548 625 HA TRP 115 HA TRP 115 17.276 10.365 6.075 626 HB2 TRP 115 HB2 TRP 115 15.467 8.697 7.154 627 HB3 TRP 115 HB3 TRP 115 16.755 8.425 8.304 628 HD1 TRP 115 HD1 TRP 115 17.357 11.860 7.683 629 HE1 TRP 115 HE1 TRP 115 15.971 13.479 9.033 630 HE3 TRP 115 HE3 TRP 115 13.798 8.600 9.406 631 HZ2 TRP 115 HZ2 TRP 115 13.690 13.364 10.853 632 HZ3 TRP 115 HZ3 TRP 115 12.067 9.374 11.001 633 HH2 TRP 115 HH2 TRP 115 12.007 11.751 11.737 Start of MODEL 3 1 H1 MET 1 H MET 1 -13.648 2.140 12.132 2 HA MET 1 HA MET 1 -15.871 0.454 11.137 3 HB2 MET 1 HB2 MET 1 -16.024 2.760 13.113 4 HB3 MET 1 HB3 MET 1 -17.377 1.901 12.419 5 HG2 MET 1 HG2 MET 1 -17.060 1.050 14.584 6 HG3 MET 1 HG3 MET 1 -16.552 -0.209 13.464 7 HE1 MET 1 HE1 MET 1 -14.460 -0.598 16.799 8 HE2 MET 1 HE2 MET 1 -15.996 0.299 16.763 9 HE3 MET 1 HE3 MET 1 -15.827 -1.208 15.841 10 H LYS 2 H LYS 2 -16.291 1.011 9.087 11 HA LYS 2 HA LYS 2 -16.132 2.185 7.099 12 HB2 LYS 2 HB2 LYS 2 -18.430 2.021 7.833 13 HB3 LYS 2 HB3 LYS 2 -18.300 3.528 8.725 14 HG2 LYS 2 HG2 LYS 2 -18.137 4.831 6.686 15 HG3 LYS 2 HG3 LYS 2 -18.002 3.373 5.705 16 HD2 LYS 2 HD2 LYS 2 -20.403 3.458 7.466 17 HD3 LYS 2 HD3 LYS 2 -20.351 4.769 6.301 18 HE2 LYS 2 HE2 LYS 2 -19.776 1.936 5.386 19 HE3 LYS 2 HE3 LYS 2 -21.447 2.441 5.686 20 HZ1 LYS 2 HZ1 LYS 2 -21.350 4.040 4.076 21 HZ2 LYS 2 HZ2 LYS 2 -20.606 2.742 3.372 22 HZ3 LYS 2 HZ3 LYS 2 -19.699 4.004 3.908 23 H VAL 3 H VAL 3 -13.905 3.065 7.489 24 HA VAL 3 HA VAL 3 -13.867 5.963 8.099 25 HB VAL 3 HB VAL 3 -11.414 5.659 8.127 26 HG11 VAL 3 HG11 VAL 3 -12.866 3.628 9.878 27 HG12 VAL 3 HG12 VAL 3 -11.294 4.373 10.194 28 HG13 VAL 3 HG13 VAL 3 -12.757 5.371 10.194 29 HG21 VAL 3 HG21 VAL 3 -11.194 3.764 6.521 30 HG22 VAL 3 HG22 VAL 3 -10.377 3.471 8.053 31 HG23 VAL 3 HG23 VAL 3 -11.922 2.679 7.727 32 HA PRO 4 HA PRO 4 -13.592 6.958 3.772 33 HB2 PRO 4 HB2 PRO 4 -12.073 9.221 3.688 34 HB3 PRO 4 HB3 PRO 4 -13.723 9.188 4.381 35 HG2 PRO 4 HG2 PRO 4 -11.076 9.015 5.849 36 HG3 PRO 4 HG3 PRO 4 -12.491 10.043 6.235 37 HD2 PRO 4 HD2 PRO 4 -12.035 7.664 7.486 38 HD3 PRO 4 HD3 PRO 4 -13.692 8.217 7.115 39 H GLY 5 H GLY 5 -12.033 7.000 1.870 40 HA2 GLY 5 HA2 GLY 5 -9.870 5.175 2.345 41 HA3 GLY 5 HA3 GLY 5 -10.333 5.937 0.808 42 H VAL 6 H VAL 6 -7.607 5.704 1.753 43 HA VAL 6 HA VAL 6 -6.930 8.590 2.206 44 HB VAL 6 HB VAL 6 -5.053 6.349 2.918 45 HG11 VAL 6 HG11 VAL 6 -4.086 8.571 2.737 46 HG12 VAL 6 HG12 VAL 6 -5.390 9.272 3.716 47 HG13 VAL 6 HG13 VAL 6 -4.237 8.174 4.464 48 HG21 VAL 6 HG21 VAL 6 -5.740 6.525 5.256 49 HG22 VAL 6 HG22 VAL 6 -7.068 7.600 4.818 50 HG23 VAL 6 HG23 VAL 6 -7.086 5.912 4.282 51 H ARG 7 H ARG 7 -5.897 9.527 0.595 52 HA ARG 7 HA ARG 7 -5.370 8.081 -1.855 53 HB2 ARG 7 HB2 ARG 7 -4.499 10.281 -2.641 54 HB3 ARG 7 HB3 ARG 7 -6.167 10.290 -2.141 55 HG2 ARG 7 HG2 ARG 7 -4.184 11.142 -0.046 56 HG3 ARG 7 HG3 ARG 7 -4.304 12.173 -1.464 57 HD2 ARG 7 HD2 ARG 7 -6.752 11.318 0.110 58 HD3 ARG 7 HD3 ARG 7 -5.798 12.734 0.543 59 HE ARG 7 HE ARG 7 -7.452 12.335 -1.880 60 HH11 ARG 7 HH11 ARG 7 -5.566 14.592 0.071 61 HH12 ARG 7 HH12 ARG 7 -5.798 15.949 -1.000 62 HH21 ARG 7 HH21 ARG 7 -7.943 14.113 -3.169 63 HH22 ARG 7 HH22 ARG 7 -7.404 15.707 -2.760 64 H VAL 8 H VAL 8 -3.570 6.953 -2.268 65 HA VAL 8 HA VAL 8 -1.007 7.827 -1.071 66 HB VAL 8 HB VAL 8 -0.347 5.644 -0.389 67 HG11 VAL 8 HG11 VAL 8 -1.712 5.259 1.554 68 HG12 VAL 8 HG12 VAL 8 -1.626 6.999 1.252 69 HG13 VAL 8 HG13 VAL 8 -3.097 6.107 0.828 70 HG21 VAL 8 HG21 VAL 8 -1.964 3.733 -0.298 71 HG22 VAL 8 HG22 VAL 8 -3.070 4.671 -1.328 72 HG23 VAL 8 HG23 VAL 8 -1.443 4.210 -1.916 73 H ARG 9 H ARG 9 0.884 6.920 -2.280 74 HA ARG 9 HA ARG 9 0.260 6.140 -5.081 75 HB2 ARG 9 HB2 ARG 9 0.631 8.674 -4.685 76 HB3 ARG 9 HB3 ARG 9 2.298 8.263 -4.275 77 HG2 ARG 9 HG2 ARG 9 2.598 7.291 -6.555 78 HG3 ARG 9 HG3 ARG 9 0.891 7.638 -6.908 79 HD2 ARG 9 HD2 ARG 9 1.451 10.101 -6.293 80 HD3 ARG 9 HD3 ARG 9 3.145 9.620 -6.399 81 HE ARG 9 HE ARG 9 3.005 9.563 -8.667 82 HH11 ARG 9 HH11 ARG 9 -0.221 10.268 -7.382 83 HH12 ARG 9 HH12 ARG 9 -1.015 10.151 -8.929 84 HH21 ARG 9 HH21 ARG 9 1.909 9.568 -10.749 85 HH22 ARG 9 HH22 ARG 9 0.163 9.742 -10.804 86 H ALA 10 H ALA 10 1.659 4.476 -5.721 87 HA ALA 10 HA ALA 10 3.396 3.416 -3.666 88 HB1 ALA 10 HB1 ALA 10 3.672 1.514 -4.874 89 HB2 ALA 10 HB2 ALA 10 1.992 1.971 -5.228 90 HB3 ALA 10 HB3 ALA 10 3.295 2.238 -6.422 91 H LEU 11 H LEU 11 5.591 3.294 -3.622 92 HA LEU 11 HA LEU 11 7.018 5.261 -5.333 93 HB2 LEU 11 HB2 LEU 11 7.348 4.207 -2.543 94 HB3 LEU 11 HB3 LEU 11 8.812 4.592 -3.430 95 HG LEU 11 HG LEU 11 7.938 6.427 -2.007 96 HD11 LEU 11 HD11 LEU 11 8.401 8.202 -3.644 97 HD12 LEU 11 HD12 LEU 11 8.204 7.052 -4.980 98 HD13 LEU 11 HD13 LEU 11 9.528 6.844 -3.825 99 HD21 LEU 11 HD21 LEU 11 5.767 6.789 -4.106 100 HD22 LEU 11 HD22 LEU 11 6.123 7.838 -2.735 101 HD23 LEU 11 HD23 LEU 11 5.519 6.194 -2.453 102 H TYR 12 H TYR 12 6.505 1.873 -5.253 103 HA TYR 12 HA TYR 12 8.815 1.525 -7.063 104 HB2 TYR 12 HB2 TYR 12 8.247 -0.514 -4.883 105 HB3 TYR 12 HB3 TYR 12 9.609 -0.427 -5.978 106 HD1 TYR 12 HD1 TYR 12 8.150 0.969 -2.835 107 HD2 TYR 12 HD2 TYR 12 11.452 1.255 -5.625 108 HE1 TYR 12 HE1 TYR 12 9.231 2.601 -1.383 109 HE2 TYR 12 HE2 TYR 12 12.565 2.847 -4.130 110 HH TYR 12 HH TYR 12 10.935 4.328 -1.355 111 H ASP 13 H ASP 13 8.567 -0.691 -8.217 112 HA ASP 13 HA ASP 13 5.793 -1.040 -9.137 113 HB2 ASP 13 HB2 ASP 13 6.901 -2.049 -11.103 114 HB3 ASP 13 HB3 ASP 13 7.401 -0.390 -10.824 115 H TYR 14 H TYR 14 5.036 -2.445 -7.384 116 HA TYR 14 HA TYR 14 6.132 -5.214 -7.524 117 HB2 TYR 14 HB2 TYR 14 5.893 -3.359 -5.205 118 HB3 TYR 14 HB3 TYR 14 5.268 -4.946 -4.939 119 HD1 TYR 14 HD1 TYR 14 6.744 -6.685 -4.190 120 HD2 TYR 14 HD2 TYR 14 8.296 -3.332 -6.442 121 HE1 TYR 14 HE1 TYR 14 9.028 -7.618 -4.024 122 HE2 TYR 14 HE2 TYR 14 10.535 -4.315 -6.387 123 HH TYR 14 HH TYR 14 11.405 -7.249 -4.551 124 H THR 15 H THR 15 4.606 -6.900 -7.305 125 HA THR 15 HA THR 15 1.757 -6.086 -7.411 126 HB THR 15 HB THR 15 2.567 -6.523 -9.615 127 HG1 THR 15 HG1 THR 15 0.625 -7.285 -9.492 128 HG21 THR 15 HG21 THR 15 3.419 -8.687 -10.363 129 HG22 THR 15 HG22 THR 15 3.552 -9.248 -8.692 130 HG23 THR 15 HG23 THR 15 4.551 -7.893 -9.253 131 H GLY 16 H GLY 16 1.730 -6.424 -5.149 132 HA2 GLY 16 HA2 GLY 16 1.257 -7.586 -3.271 133 HA3 GLY 16 HA3 GLY 16 0.562 -8.827 -4.356 134 H GLN 17 H GLN 17 1.251 -10.362 -2.687 135 HA GLN 17 HA GLN 17 4.102 -11.085 -2.957 136 HB2 GLN 17 HB2 GLN 17 2.762 -10.175 -0.582 137 HB3 GLN 17 HB3 GLN 17 2.939 -11.901 -0.373 138 HG2 GLN 17 HG2 GLN 17 5.292 -10.148 -1.188 139 HG3 GLN 17 HG3 GLN 17 4.757 -10.314 0.490 140 HE21 GLN 17 HE21 GLN 17 5.878 -12.390 -2.302 141 HE22 GLN 17 HE22 GLN 17 6.489 -13.613 -1.218 142 H GLU 18 H GLU 18 0.714 -11.990 -3.008 143 HA GLU 18 HA GLU 18 1.304 -14.495 -4.128 144 HB2 GLU 18 HB2 GLU 18 1.347 -14.613 -1.387 145 HB3 GLU 18 HB3 GLU 18 -0.394 -14.685 -1.628 146 HG2 GLU 18 HG2 GLU 18 0.600 -16.922 -1.462 147 HG3 GLU 18 HG3 GLU 18 -0.104 -16.677 -3.057 148 H ALA 19 H ALA 19 -1.008 -15.611 -4.340 149 HA ALA 19 HA ALA 19 -2.550 -14.054 -6.014 150 HB1 ALA 19 HB1 ALA 19 -4.014 -16.007 -6.104 151 HB2 ALA 19 HB2 ALA 19 -2.341 -16.521 -6.035 152 HB3 ALA 19 HB3 ALA 19 -3.352 -16.605 -4.579 153 H ASP 20 H ASP 20 -2.800 -13.422 -2.649 154 HA ASP 20 HA ASP 20 -5.684 -12.698 -3.026 155 HB2 ASP 20 HB2 ASP 20 -5.198 -14.494 -1.312 156 HB3 ASP 20 HB3 ASP 20 -4.388 -13.246 -0.352 157 H GLU 21 H GLU 21 -2.742 -11.403 -3.216 158 HA GLU 21 HA GLU 21 -3.464 -8.868 -1.863 159 HB2 GLU 21 HB2 GLU 21 -0.851 -9.988 -2.980 160 HB3 GLU 21 HB3 GLU 21 -1.050 -8.384 -2.279 161 HG2 GLU 21 HG2 GLU 21 -0.411 -9.442 -0.387 162 HG3 GLU 21 HG3 GLU 21 -2.125 -9.755 -0.251 163 H LEU 22 H LEU 22 -2.870 -6.927 -3.000 164 HA LEU 22 HA LEU 22 -4.192 -6.697 -5.618 165 HB2 LEU 22 HB2 LEU 22 -3.161 -4.822 -3.432 166 HB3 LEU 22 HB3 LEU 22 -3.578 -4.163 -4.996 167 HG LEU 22 HG LEU 22 -5.520 -5.721 -3.280 168 HD11 LEU 22 HD11 LEU 22 -4.891 -3.650 -2.202 169 HD12 LEU 22 HD12 LEU 22 -6.532 -3.501 -2.877 170 HD13 LEU 22 HD13 LEU 22 -5.139 -2.782 -3.717 171 HD21 LEU 22 HD21 LEU 22 -7.134 -4.526 -4.938 172 HD22 LEU 22 HD22 LEU 22 -6.282 -5.980 -5.446 173 HD23 LEU 22 HD23 LEU 22 -5.684 -4.398 -5.972 174 H SER 23 H SER 23 -3.140 -4.959 -7.130 175 HA SER 23 HA SER 23 -0.172 -5.251 -7.151 176 HB2 SER 23 HB2 SER 23 -1.282 -6.965 -8.598 177 HB3 SER 23 HB3 SER 23 -2.130 -5.673 -9.465 178 HG SER 23 HG SER 23 -0.205 -4.944 -10.282 179 H PHE 24 H PHE 24 0.825 -3.254 -7.475 180 HA PHE 24 HA PHE 24 -0.814 -1.132 -8.792 181 HB2 PHE 24 HB2 PHE 24 0.386 0.509 -7.350 182 HB3 PHE 24 HB3 PHE 24 -0.826 -0.438 -6.551 183 HD1 PHE 24 HD1 PHE 24 2.783 -0.271 -7.150 184 HD2 PHE 24 HD2 PHE 24 -0.385 -1.547 -4.502 185 HE1 PHE 24 HE1 PHE 24 4.493 -0.963 -5.419 186 HE2 PHE 24 HE2 PHE 24 1.299 -1.928 -2.720 187 HZ PHE 24 HZ PHE 24 3.708 -1.767 -3.196 188 H LYS 25 H LYS 25 0.565 0.442 -9.935 189 HA LYS 25 HA LYS 25 3.196 -0.702 -10.812 190 HB2 LYS 25 HB2 LYS 25 0.938 0.591 -12.303 191 HB3 LYS 25 HB3 LYS 25 2.521 1.145 -12.757 192 HG2 LYS 25 HG2 LYS 25 1.664 -1.768 -12.832 193 HG3 LYS 25 HG3 LYS 25 1.745 -0.654 -14.197 194 HD2 LYS 25 HD2 LYS 25 4.257 -0.329 -13.584 195 HD3 LYS 25 HD3 LYS 25 4.054 -1.738 -12.542 196 HE2 LYS 25 HE2 LYS 25 4.883 -2.650 -14.516 197 HE3 LYS 25 HE3 LYS 25 3.150 -2.968 -14.618 198 HZ1 LYS 25 HZ1 LYS 25 4.583 -0.745 -15.960 199 HZ2 LYS 25 HZ2 LYS 25 2.960 -1.041 -16.078 200 HZ3 LYS 25 HZ3 LYS 25 4.021 -2.127 -16.674 201 H ALA 26 H ALA 26 4.790 1.027 -11.518 202 HA ALA 26 HA ALA 26 5.058 2.851 -9.364 203 HB1 ALA 26 HB1 ALA 26 6.473 2.749 -12.079 204 HB2 ALA 26 HB2 ALA 26 6.973 3.774 -10.722 205 HB3 ALA 26 HB3 ALA 26 7.041 2.012 -10.560 206 H GLY 27 H GLY 27 3.841 4.689 -9.067 207 HA2 GLY 27 HA2 GLY 27 3.223 6.879 -9.718 208 HA3 GLY 27 HA3 GLY 27 3.144 6.381 -11.412 209 H GLU 28 H GLU 28 1.707 3.837 -9.911 210 HA GLU 28 HA GLU 28 -0.962 4.651 -10.645 211 HB2 GLU 28 HB2 GLU 28 0.129 2.229 -10.568 212 HB3 GLU 28 HB3 GLU 28 -0.271 2.255 -8.865 213 HG2 GLU 28 HG2 GLU 28 -2.700 2.997 -9.822 214 HG3 GLU 28 HG3 GLU 28 -2.082 2.344 -11.321 215 H GLU 29 H GLU 29 -2.756 4.703 -9.095 216 HA GLU 29 HA GLU 29 -2.061 5.504 -6.325 217 HB2 GLU 29 HB2 GLU 29 -4.057 6.716 -8.276 218 HB3 GLU 29 HB3 GLU 29 -4.141 6.952 -6.525 219 HG2 GLU 29 HG2 GLU 29 -1.785 7.844 -6.570 220 HG3 GLU 29 HG3 GLU 29 -1.847 7.770 -8.344 221 H LEU 30 H LEU 30 -3.622 4.938 -4.806 222 HA LEU 30 HA LEU 30 -5.780 3.071 -5.464 223 HB2 LEU 30 HB2 LEU 30 -4.792 1.676 -3.446 224 HB3 LEU 30 HB3 LEU 30 -4.134 1.379 -5.089 225 HG LEU 30 HG LEU 30 -2.717 3.440 -3.475 226 HD11 LEU 30 HD11 LEU 30 -2.606 0.538 -2.577 227 HD12 LEU 30 HD12 LEU 30 -3.227 1.907 -1.657 228 HD13 LEU 30 HD13 LEU 30 -1.506 1.820 -2.075 229 HD21 LEU 30 HD21 LEU 30 -0.719 2.333 -4.360 230 HD22 LEU 30 HD22 LEU 30 -1.873 2.624 -5.670 231 HD23 LEU 30 HD23 LEU 30 -1.716 1.007 -5.002 232 H MET 31 H MET 31 -6.963 2.616 -3.269 233 HA MET 31 HA MET 31 -6.726 5.001 -1.502 234 HB2 MET 31 HB2 MET 31 -9.451 3.750 -1.850 235 HB3 MET 31 HB3 MET 31 -8.920 5.275 -1.201 236 HG2 MET 31 HG2 MET 31 -8.033 5.776 -3.573 237 HG3 MET 31 HG3 MET 31 -9.056 4.453 -4.112 238 HE1 MET 31 HE1 MET 31 -10.481 8.458 -2.249 239 HE2 MET 31 HE2 MET 31 -9.867 7.177 -1.219 240 HE3 MET 31 HE3 MET 31 -8.792 7.940 -2.414 241 H LYS 32 H LYS 32 -5.901 4.329 0.340 242 HA LYS 32 HA LYS 32 -5.914 1.562 1.199 243 HB2 LYS 32 HB2 LYS 32 -4.258 3.180 1.897 244 HB3 LYS 32 HB3 LYS 32 -5.502 4.211 2.618 245 HG2 LYS 32 HG2 LYS 32 -5.937 1.778 3.965 246 HG3 LYS 32 HG3 LYS 32 -4.190 1.834 3.775 247 HD2 LYS 32 HD2 LYS 32 -4.242 3.037 5.677 248 HD3 LYS 32 HD3 LYS 32 -4.642 4.404 4.677 249 HE2 LYS 32 HE2 LYS 32 -7.065 4.029 5.160 250 HE3 LYS 32 HE3 LYS 32 -6.657 2.525 5.991 251 HZ1 LYS 32 HZ1 LYS 32 -5.290 3.953 7.529 252 HZ2 LYS 32 HZ2 LYS 32 -6.915 4.050 7.682 253 HZ3 LYS 32 HZ3 LYS 32 -6.054 5.259 6.945 254 H ILE 33 H ILE 33 -7.540 0.465 2.456 255 HA ILE 33 HA ILE 33 -9.772 2.198 3.322 256 HB ILE 33 HB ILE 33 -11.282 0.563 2.938 257 HG12 ILE 33 HG12 ILE 33 -9.458 -1.339 1.488 258 HG13 ILE 33 HG13 ILE 33 -9.657 -1.466 3.228 259 HG21 ILE 33 HG21 ILE 33 -9.701 0.872 0.364 260 HG22 ILE 33 HG22 ILE 33 -11.442 0.654 0.520 261 HG23 ILE 33 HG23 ILE 33 -10.680 2.142 1.087 262 HD11 ILE 33 HD11 ILE 33 -12.080 -1.749 2.955 263 HD12 ILE 33 HD12 ILE 33 -11.914 -1.586 1.192 264 HD13 ILE 33 HD13 ILE 33 -11.173 -2.961 2.029 265 H SER 34 H SER 34 -7.430 -0.073 4.592 266 HA SER 34 HA SER 34 -8.939 0.023 7.166 267 HB2 SER 34 HB2 SER 34 -7.413 -2.341 6.051 268 HB3 SER 34 HB3 SER 34 -8.302 -2.272 7.581 269 HG SER 34 HG SER 34 -9.287 -3.398 5.910 270 H GLU 35 H GLU 35 -7.513 -0.690 8.981 271 HA GLU 35 HA GLU 35 -5.174 0.956 9.164 272 HB2 GLU 35 HB2 GLU 35 -5.082 0.044 11.445 273 HB3 GLU 35 HB3 GLU 35 -6.593 0.823 11.007 274 HG2 GLU 35 HG2 GLU 35 -6.466 -2.187 10.717 275 HG3 GLU 35 HG3 GLU 35 -6.487 -1.515 12.342 276 H GLU 36 H GLU 36 -3.030 0.346 9.477 277 HA GLU 36 HA GLU 36 -2.047 -1.764 7.949 278 HB2 GLU 36 HB2 GLU 36 -1.095 0.545 8.428 279 HB3 GLU 36 HB3 GLU 36 -0.644 -0.048 10.025 280 HG2 GLU 36 HG2 GLU 36 0.750 -1.828 8.854 281 HG3 GLU 36 HG3 GLU 36 0.367 -1.044 7.321 282 H ASP 37 H ASP 37 -1.074 -3.722 8.443 283 HA ASP 37 HA ASP 37 -1.566 -4.883 11.126 284 HB2 ASP 37 HB2 ASP 37 -0.226 -6.108 8.684 285 HB3 ASP 37 HB3 ASP 37 -0.665 -6.969 10.139 286 H GLU 38 H GLU 38 0.379 -6.294 11.976 287 HA GLU 38 HA GLU 38 2.564 -4.666 12.622 288 HB2 GLU 38 HB2 GLU 38 3.471 -6.656 13.697 289 HB3 GLU 38 HB3 GLU 38 1.731 -6.498 13.984 290 HG2 GLU 38 HG2 GLU 38 1.334 -8.184 12.163 291 HG3 GLU 38 HG3 GLU 38 3.076 -8.404 12.012 292 H GLN 39 H GLN 39 2.107 -6.351 9.724 293 HA GLN 39 HA GLN 39 5.002 -6.546 9.011 294 HB2 GLN 39 HB2 GLN 39 2.417 -7.836 8.118 295 HB3 GLN 39 HB3 GLN 39 3.627 -7.610 6.899 296 HG2 GLN 39 HG2 GLN 39 3.963 -9.394 9.330 297 HG3 GLN 39 HG3 GLN 39 3.705 -9.825 7.685 298 HE21 GLN 39 HE21 GLN 39 6.177 -8.349 9.875 299 HE22 GLN 39 HE22 GLN 39 7.493 -8.520 8.762 300 H GLY 40 H GLY 40 2.876 -4.066 9.047 301 HA2 GLY 40 HA2 GLY 40 2.888 -2.086 7.860 302 HA3 GLY 40 HA3 GLY 40 4.121 -2.752 6.796 303 H TRP 41 H TRP 41 1.517 -4.891 7.000 304 HA TRP 41 HA TRP 41 0.741 -4.535 4.242 305 HB2 TRP 41 HB2 TRP 41 -0.061 -6.275 6.589 306 HB3 TRP 41 HB3 TRP 41 -1.167 -6.158 5.246 307 HD1 TRP 41 HD1 TRP 41 1.088 -8.543 6.343 308 HE1 TRP 41 HE1 TRP 41 1.774 -10.024 4.397 309 HE3 TRP 41 HE3 TRP 41 -0.262 -5.594 2.441 310 HZ2 TRP 41 HZ2 TRP 41 2.472 -9.689 1.697 311 HZ3 TRP 41 HZ3 TRP 41 0.264 -6.296 0.134 312 HH2 TRP 41 HH2 TRP 41 1.661 -8.230 -0.312 313 H CYS 42 H CYS 42 -1.246 -3.749 3.413 314 HA CYS 42 HA CYS 42 -3.177 -2.618 5.338 315 HB2 CYS 42 HB2 CYS 42 -1.632 -1.069 3.231 316 HB3 CYS 42 HB3 CYS 42 -3.265 -0.584 3.713 317 HG CYS 42 HG CYS 42 -0.769 -1.174 5.784 318 H LYS 43 H LYS 43 -5.237 -2.683 4.526 319 HA LYS 43 HA LYS 43 -5.542 -4.028 1.890 320 HB2 LYS 43 HB2 LYS 43 -6.826 -4.323 4.443 321 HB3 LYS 43 HB3 LYS 43 -8.041 -3.697 3.344 322 HG2 LYS 43 HG2 LYS 43 -6.329 -5.953 2.266 323 HG3 LYS 43 HG3 LYS 43 -7.348 -6.328 3.644 324 HD2 LYS 43 HD2 LYS 43 -9.321 -5.418 2.401 325 HD3 LYS 43 HD3 LYS 43 -8.288 -5.290 0.955 326 HE2 LYS 43 HE2 LYS 43 -7.718 -7.714 1.148 327 HE3 LYS 43 HE3 LYS 43 -8.553 -7.787 2.687 328 HZ1 LYS 43 HZ1 LYS 43 -10.637 -7.099 1.353 329 HZ2 LYS 43 HZ2 LYS 43 -10.106 -8.647 1.276 330 HZ3 LYS 43 HZ3 LYS 43 -9.803 -7.694 0.039 331 H GLY 44 H GLY 44 -6.608 -2.995 0.217 332 HA2 GLY 44 HA2 GLY 44 -7.817 -0.356 0.684 333 HA3 GLY 44 HA3 GLY 44 -6.372 -0.353 -0.275 334 H ARG 45 H ARG 45 -8.214 0.557 -1.688 335 HA ARG 45 HA ARG 45 -9.277 -1.612 -3.379 336 HB2 ARG 45 HB2 ARG 45 -11.195 -0.821 -2.084 337 HB3 ARG 45 HB3 ARG 45 -10.780 0.863 -2.378 338 HG2 ARG 45 HG2 ARG 45 -11.457 0.821 -4.605 339 HG3 ARG 45 HG3 ARG 45 -11.338 -0.931 -4.754 340 HD2 ARG 45 HD2 ARG 45 -13.308 0.119 -2.772 341 HD3 ARG 45 HD3 ARG 45 -13.682 0.400 -4.482 342 HE ARG 45 HE ARG 45 -13.047 -2.195 -4.567 343 HH11 ARG 45 HH11 ARG 45 -15.272 -0.545 -2.362 344 HH12 ARG 45 HH12 ARG 45 -16.463 -1.799 -2.394 345 HH21 ARG 45 HH21 ARG 45 -14.406 -3.976 -4.401 346 HH22 ARG 45 HH22 ARG 45 -15.834 -3.914 -3.482 347 H LEU 46 H LEU 46 -8.931 -1.308 -5.436 348 HA LEU 46 HA LEU 46 -7.187 0.872 -6.352 349 HB2 LEU 46 HB2 LEU 46 -8.274 -1.754 -7.442 350 HB3 LEU 46 HB3 LEU 46 -7.719 -0.535 -8.599 351 HG LEU 46 HG LEU 46 -5.562 -0.470 -7.667 352 HD11 LEU 46 HD11 LEU 46 -6.732 -2.274 -5.528 353 HD12 LEU 46 HD12 LEU 46 -5.789 -0.772 -5.332 354 HD13 LEU 46 HD13 LEU 46 -4.999 -2.254 -5.862 355 HD21 LEU 46 HD21 LEU 46 -6.488 -3.356 -8.041 356 HD22 LEU 46 HD22 LEU 46 -4.831 -2.770 -8.211 357 HD23 LEU 46 HD23 LEU 46 -6.067 -2.225 -9.342 358 H LEU 47 H LEU 47 -7.734 2.029 -8.385 359 HA LEU 47 HA LEU 47 -10.226 3.398 -8.168 360 HB2 LEU 47 HB2 LEU 47 -8.171 3.190 -10.408 361 HB3 LEU 47 HB3 LEU 47 -9.656 4.089 -10.623 362 HG LEU 47 HG LEU 47 -7.773 5.530 -10.035 363 HD11 LEU 47 HD11 LEU 47 -10.101 6.193 -9.457 364 HD12 LEU 47 HD12 LEU 47 -8.899 6.897 -8.375 365 HD13 LEU 47 HD13 LEU 47 -9.875 5.528 -7.825 366 HD21 LEU 47 HD21 LEU 47 -6.555 3.966 -8.550 367 HD22 LEU 47 HD22 LEU 47 -7.738 4.306 -7.263 368 HD23 LEU 47 HD23 LEU 47 -6.715 5.600 -7.907 369 H THR 48 H THR 48 -9.301 0.528 -9.932 370 HA THR 48 HA THR 48 -11.676 0.241 -11.518 371 HB THR 48 HB THR 48 -9.183 -0.527 -11.786 372 HG1 THR 48 HG1 THR 48 -9.824 -2.239 -13.099 373 HG21 THR 48 HG21 THR 48 -8.515 -2.628 -11.007 374 HG22 THR 48 HG22 THR 48 -10.164 -3.118 -10.590 375 HG23 THR 48 HG23 THR 48 -9.300 -1.914 -9.611 376 H GLY 49 H GLY 49 -11.478 0.059 -8.209 377 HA2 GLY 49 HA2 GLY 49 -13.004 -0.709 -6.718 378 HA3 GLY 49 HA3 GLY 49 -13.823 -1.617 -7.990 379 H HIS 50 H HIS 50 -10.633 -2.693 -8.268 380 HA HIS 50 HA HIS 50 -11.261 -5.209 -7.034 381 HB2 HIS 50 HB2 HIS 50 -9.788 -4.891 -9.010 382 HB3 HIS 50 HB3 HIS 50 -8.606 -4.082 -7.988 383 HD1 HIS 50 HD1 HIS 50 -10.369 -7.593 -7.532 384 HD2 HIS 50 HD2 HIS 50 -6.621 -5.736 -8.047 385 HE1 HIS 50 HE1 HIS 50 -8.626 -9.403 -7.295 386 H VAL 51 H VAL 51 -10.275 -6.120 -5.038 387 HA VAL 51 HA VAL 51 -9.106 -4.156 -3.166 388 HB VAL 51 HB VAL 51 -10.538 -5.213 -1.369 389 HG11 VAL 51 HG11 VAL 51 -11.986 -3.652 -3.519 390 HG12 VAL 51 HG12 VAL 51 -12.488 -3.797 -1.814 391 HG13 VAL 51 HG13 VAL 51 -10.965 -2.989 -2.223 392 HG21 VAL 51 HG21 VAL 51 -11.349 -7.225 -2.617 393 HG22 VAL 51 HG22 VAL 51 -12.664 -6.260 -1.941 394 HG23 VAL 51 HG23 VAL 51 -12.298 -6.172 -3.675 395 H GLY 52 H GLY 52 -7.794 -5.062 -1.520 396 HA2 GLY 52 HA2 GLY 52 -7.383 -7.662 -0.839 397 HA3 GLY 52 HA3 GLY 52 -6.388 -7.467 -2.284 398 H LEU 53 H LEU 53 -4.763 -7.944 -0.458 399 HA LEU 53 HA LEU 53 -4.021 -5.781 1.376 400 HB2 LEU 53 HB2 LEU 53 -3.575 -8.625 1.060 401 HB3 LEU 53 HB3 LEU 53 -2.013 -7.858 0.927 402 HG LEU 53 HG LEU 53 -2.290 -6.798 3.121 403 HD11 LEU 53 HD11 LEU 53 -4.573 -6.580 3.526 404 HD12 LEU 53 HD12 LEU 53 -4.144 -7.961 4.541 405 HD13 LEU 53 HD13 LEU 53 -4.928 -8.229 2.958 406 HD21 LEU 53 HD21 LEU 53 -1.212 -9.073 2.707 407 HD22 LEU 53 HD22 LEU 53 -2.760 -9.820 3.111 408 HD23 LEU 53 HD23 LEU 53 -1.870 -8.876 4.329 409 H TYR 54 H TYR 54 -2.151 -4.403 1.056 410 HA TYR 54 HA TYR 54 -0.507 -4.731 -1.318 411 HB2 TYR 54 HB2 TYR 54 -0.651 -2.561 -2.103 412 HB3 TYR 54 HB3 TYR 54 -2.297 -3.041 -2.028 413 HD1 TYR 54 HD1 TYR 54 -3.759 -2.001 -0.142 414 HD2 TYR 54 HD2 TYR 54 0.343 -0.833 -0.803 415 HE1 TYR 54 HE1 TYR 54 -4.089 -0.002 1.300 416 HE2 TYR 54 HE2 TYR 54 0.016 1.129 0.595 417 HH TYR 54 HH TYR 54 -1.341 2.242 2.004 418 HA PRO 55 HA PRO 55 2.158 -3.872 2.116 419 HB2 PRO 55 HB2 PRO 55 4.580 -3.543 0.944 420 HB3 PRO 55 HB3 PRO 55 3.722 -5.111 0.986 421 HG2 PRO 55 HG2 PRO 55 3.835 -3.131 -1.299 422 HG3 PRO 55 HG3 PRO 55 3.990 -4.907 -1.330 423 HD2 PRO 55 HD2 PRO 55 1.635 -3.767 -1.979 424 HD3 PRO 55 HD3 PRO 55 1.812 -5.322 -1.152 425 H ALA 56 H ALA 56 1.650 -1.984 3.138 426 HA ALA 56 HA ALA 56 1.541 0.521 1.815 427 HB1 ALA 56 HB1 ALA 56 0.348 -0.271 3.922 428 HB2 ALA 56 HB2 ALA 56 1.807 0.155 4.815 429 HB3 ALA 56 HB3 ALA 56 0.913 1.393 3.908 430 H ASN 57 H ASN 57 4.179 -1.144 3.293 431 HA ASN 57 HA ASN 57 5.874 1.068 3.812 432 HB2 ASN 57 HB2 ASN 57 6.988 -1.589 2.863 433 HB3 ASN 57 HB3 ASN 57 7.652 -0.474 4.043 434 HD21 ASN 57 HD21 ASN 57 6.518 -3.473 3.935 435 HD22 ASN 57 HD22 ASN 57 5.624 -3.563 5.437 436 H TYR 58 H TYR 58 4.993 -0.464 0.782 437 HA TYR 58 HA TYR 58 7.242 0.710 -0.705 438 HB2 TYR 58 HB2 TYR 58 5.032 -1.228 -1.409 439 HB3 TYR 58 HB3 TYR 58 6.112 -0.559 -2.610 440 HD1 TYR 58 HD1 TYR 58 6.407 -2.279 0.753 441 HD2 TYR 58 HD2 TYR 58 7.723 -2.104 -3.330 442 HE1 TYR 58 HE1 TYR 58 8.070 -4.014 1.233 443 HE2 TYR 58 HE2 TYR 58 9.423 -3.853 -2.849 444 HH TYR 58 HH TYR 58 10.350 -5.295 -1.187 445 H VAL 59 H VAL 59 4.521 2.093 0.518 446 HA VAL 59 HA VAL 59 4.224 3.825 -1.844 447 HB VAL 59 HB VAL 59 1.927 3.847 -1.811 448 HG11 VAL 59 HG11 VAL 59 2.309 0.984 -0.899 449 HG12 VAL 59 HG12 VAL 59 1.029 1.639 -1.941 450 HG13 VAL 59 HG13 VAL 59 2.694 1.568 -2.524 451 HG21 VAL 59 HG21 VAL 59 1.524 4.353 0.542 452 HG22 VAL 59 HG22 VAL 59 0.413 3.155 -0.087 453 HG23 VAL 59 HG23 VAL 59 1.773 2.653 0.954 454 H GLU 60 H GLU 60 3.123 5.950 -1.160 455 HA GLU 60 HA GLU 60 3.839 6.804 1.539 456 HB2 GLU 60 HB2 GLU 60 5.813 7.095 -0.086 457 HB3 GLU 60 HB3 GLU 60 4.819 8.309 -0.920 458 HG2 GLU 60 HG2 GLU 60 4.855 9.756 0.992 459 HG3 GLU 60 HG3 GLU 60 5.380 8.442 2.054 460 H LYS 61 H LYS 61 2.755 8.995 1.896 461 HA LYS 61 HA LYS 61 0.130 8.915 0.585 462 HB2 LYS 61 HB2 LYS 61 1.180 10.205 3.081 463 HB3 LYS 61 HB3 LYS 61 -0.233 10.938 2.276 464 HG2 LYS 61 HG2 LYS 61 -1.437 8.921 2.246 465 HG3 LYS 61 HG3 LYS 61 -0.023 7.956 2.688 466 HD2 LYS 61 HD2 LYS 61 -0.159 9.048 5.003 467 HD3 LYS 61 HD3 LYS 61 -1.735 9.700 4.463 468 HE2 LYS 61 HE2 LYS 61 -2.359 7.669 5.429 469 HE3 LYS 61 HE3 LYS 61 -2.248 7.310 3.682 470 HZ1 LYS 61 HZ1 LYS 61 -0.192 6.672 5.738 471 HZ2 LYS 61 HZ2 LYS 61 0.011 6.409 4.162 472 HZ3 LYS 61 HZ3 LYS 61 -1.158 5.579 4.981 473 H VAL 62 H VAL 62 -0.957 10.818 -0.218 474 HA VAL 62 HA VAL 62 0.844 12.716 -1.530 475 HB VAL 62 HB VAL 62 0.716 10.690 -2.920 476 HG11 VAL 62 HG11 VAL 62 -1.367 9.925 -3.967 477 HG12 VAL 62 HG12 VAL 62 -1.435 9.781 -2.208 478 HG13 VAL 62 HG13 VAL 62 -2.291 11.105 -3.017 479 HG21 VAL 62 HG21 VAL 62 0.871 12.906 -4.049 480 HG22 VAL 62 HG22 VAL 62 0.197 11.596 -5.021 481 HG23 VAL 62 HG23 VAL 62 -0.891 12.816 -4.359 482 H GLY 63 H GLY 63 -0.711 14.265 -2.892 483 HA2 GLY 63 HA2 GLY 63 -2.558 15.630 -3.006 484 HA3 GLY 63 HA3 GLY 63 -3.367 14.670 -1.761 485 H LEU 64 H LEU 64 -3.063 15.243 0.446 486 HA LEU 64 HA LEU 64 -2.319 17.999 0.865 487 HB2 LEU 64 HB2 LEU 64 -3.133 15.758 2.750 488 HB3 LEU 64 HB3 LEU 64 -2.644 17.331 3.369 489 HG LEU 64 HG LEU 64 -4.929 16.919 1.398 490 HD11 LEU 64 HD11 LEU 64 -5.543 15.964 3.511 491 HD12 LEU 64 HD12 LEU 64 -6.343 17.524 3.390 492 HD13 LEU 64 HD13 LEU 64 -4.897 17.360 4.403 493 HD21 LEU 64 HD21 LEU 64 -4.063 19.403 2.965 494 HD22 LEU 64 HD22 LEU 64 -5.521 19.251 1.958 495 HD23 LEU 64 HD23 LEU 64 -3.952 19.201 1.202 496 H ALA 65 H ALA 65 -0.869 18.624 2.772 497 HA ALA 65 HA ALA 65 1.695 17.164 2.713 498 HB1 ALA 65 HB1 ALA 65 1.719 19.004 1.027 499 HB2 ALA 65 HB2 ALA 65 1.212 20.153 2.287 500 HB3 ALA 65 HB3 ALA 65 2.803 19.364 2.377 501 H ALA 66 H ALA 66 3.160 18.320 4.363 502 HA ALA 66 HA ALA 66 3.692 18.512 6.554 503 HB1 ALA 66 HB1 ALA 66 1.347 20.447 6.622 504 HB2 ALA 66 HB2 ALA 66 2.739 20.420 7.724 505 HB3 ALA 66 HB3 ALA 66 2.973 20.823 6.016 506 H ALA 67 H ALA 67 2.219 16.287 6.004 507 HA ALA 67 HA ALA 67 -0.030 15.668 7.478 508 HB1 ALA 67 HB1 ALA 67 0.741 13.317 7.233 509 HB2 ALA 67 HB2 ALA 67 1.033 14.218 5.725 510 HB3 ALA 67 HB3 ALA 67 2.368 13.889 6.847 511 H1 THR 101 H THR 101 -2.686 -11.388 11.103 512 HA THR 101 HA THR 101 -2.212 -9.762 8.708 513 HB THR 101 HB THR 101 -0.026 -11.516 9.803 514 HG1 THR 101 HG1 THR 101 0.151 -10.223 11.429 515 HG21 THR 101 HG21 THR 101 1.344 -9.891 8.571 516 HG22 THR 101 HG22 THR 101 -0.105 -8.910 8.208 517 HG23 THR 101 HG23 THR 101 0.083 -10.524 7.501 518 H LYS 102 H LYS 102 -2.456 -10.899 6.795 519 HA LYS 102 HA LYS 102 -3.496 -13.630 6.875 520 HB2 LYS 102 HB2 LYS 102 -2.812 -11.625 4.689 521 HB3 LYS 102 HB3 LYS 102 -3.246 -13.287 4.279 522 HG2 LYS 102 HG2 LYS 102 -5.010 -11.673 6.143 523 HG3 LYS 102 HG3 LYS 102 -5.107 -11.459 4.400 524 HD2 LYS 102 HD2 LYS 102 -5.761 -13.724 4.004 525 HD3 LYS 102 HD3 LYS 102 -5.299 -14.230 5.635 526 HE2 LYS 102 HE2 LYS 102 -7.735 -14.043 5.463 527 HE3 LYS 102 HE3 LYS 102 -7.070 -12.909 6.640 528 HZ1 LYS 102 HZ1 LYS 102 -8.656 -11.784 5.366 529 HZ2 LYS 102 HZ2 LYS 102 -8.025 -12.284 3.929 530 HZ3 LYS 102 HZ3 LYS 102 -7.214 -11.199 4.847 531 H GLY 103 H GLY 103 -0.695 -12.287 5.054 532 HA2 GLY 103 HA2 GLY 103 0.954 -14.592 5.863 533 HA3 GLY 103 HA3 GLY 103 0.787 -14.135 4.150 534 HA PRO 104 HA PRO 104 4.042 -11.517 6.450 535 HB2 PRO 104 HB2 PRO 104 6.342 -12.465 5.316 536 HB3 PRO 104 HB3 PRO 104 5.601 -13.200 6.769 537 HG2 PRO 104 HG2 PRO 104 5.353 -14.105 3.887 538 HG3 PRO 104 HG3 PRO 104 5.705 -15.102 5.338 539 HD2 PRO 104 HD2 PRO 104 3.190 -14.897 4.293 540 HD3 PRO 104 HD3 PRO 104 3.466 -15.019 6.057 541 H ALA 105 H ALA 105 5.019 -9.792 5.489 542 HA ALA 105 HA ALA 105 4.124 -8.879 2.937 543 HB1 ALA 105 HB1 ALA 105 4.131 -7.396 4.817 544 HB2 ALA 105 HB2 ALA 105 5.823 -7.756 5.218 545 HB3 ALA 105 HB3 ALA 105 5.452 -6.812 3.800 546 HA PRO 106 HA PRO 106 7.716 -9.462 0.409 547 HB2 PRO 106 HB2 PRO 106 7.948 -6.955 -0.828 548 HB3 PRO 106 HB3 PRO 106 6.757 -8.242 -1.178 549 HG2 PRO 106 HG2 PRO 106 6.379 -5.773 0.478 550 HG3 PRO 106 HG3 PRO 106 5.309 -6.488 -0.779 551 HD2 PRO 106 HD2 PRO 106 4.866 -6.883 1.831 552 HD3 PRO 106 HD3 PRO 106 4.537 -8.134 0.626 553 H ASN 107 H ASN 107 7.587 -7.215 2.690 554 HA ASN 107 HA ASN 107 9.946 -5.712 2.769 555 HB2 ASN 107 HB2 ASN 107 7.969 -6.544 4.813 556 HB3 ASN 107 HB3 ASN 107 9.573 -6.327 5.476 557 HD21 ASN 107 HD21 ASN 107 8.526 -4.634 6.750 558 HD22 ASN 107 HD22 ASN 107 8.382 -3.054 6.055 559 HA PRO 108 HA PRO 108 11.730 -5.328 5.079 560 HB2 PRO 108 HB2 PRO 108 14.377 -4.923 4.362 561 HB3 PRO 108 HB3 PRO 108 13.808 -5.762 5.839 562 HG2 PRO 108 HG2 PRO 108 14.585 -6.994 3.181 563 HG3 PRO 108 HG3 PRO 108 15.129 -7.480 4.817 564 HD2 PRO 108 HD2 PRO 108 13.108 -8.801 3.655 565 HD3 PRO 108 HD3 PRO 108 12.938 -8.320 5.368 566 HA PRO 109 HA PRO 109 10.898 -2.768 1.705 567 HB2 PRO 109 HB2 PRO 109 11.903 -0.300 2.492 568 HB3 PRO 109 HB3 PRO 109 10.383 -1.037 3.094 569 HG2 PRO 109 HG2 PRO 109 13.142 -1.055 4.351 570 HG3 PRO 109 HG3 PRO 109 11.559 -0.738 5.139 571 HD2 PRO 109 HD2 PRO 109 12.755 -3.171 5.260 572 HD3 PRO 109 HD3 PRO 109 10.982 -3.024 5.099 573 HA PRO 110 HA PRO 110 14.335 -2.559 -1.031 574 HB2 PRO 110 HB2 PRO 110 13.495 -0.823 -2.975 575 HB3 PRO 110 HB3 PRO 110 12.755 -2.419 -2.674 576 HG2 PRO 110 HG2 PRO 110 11.789 0.266 -1.627 577 HG3 PRO 110 HG3 PRO 110 10.839 -0.982 -2.474 578 HD2 PRO 110 HD2 PRO 110 10.839 -0.868 0.215 579 HD3 PRO 110 HD3 PRO 110 10.897 -2.432 -0.628 580 H ILE 111 H ILE 111 13.396 0.924 -1.213 581 HA ILE 111 HA ILE 111 16.221 1.610 -0.659 582 HB ILE 111 HB ILE 111 14.099 3.453 -1.772 583 HG12 ILE 111 HG12 ILE 111 14.191 1.624 -3.348 584 HG13 ILE 111 HG13 ILE 111 14.937 3.064 -4.014 585 HG21 ILE 111 HG21 ILE 111 16.039 4.587 -0.844 586 HG22 ILE 111 HG22 ILE 111 17.133 3.577 -1.810 587 HG23 ILE 111 HG23 ILE 111 16.029 4.725 -2.605 588 HD11 ILE 111 HD11 ILE 111 16.114 1.060 -4.627 589 HD12 ILE 111 HD12 ILE 111 17.168 2.092 -3.640 590 HD13 ILE 111 HD13 ILE 111 16.410 0.638 -2.932 591 H LEU 112 H LEU 112 12.988 2.976 0.038 592 HA LEU 112 HA LEU 112 12.323 4.428 1.677 593 HB2 LEU 112 HB2 LEU 112 12.888 1.760 2.968 594 HB3 LEU 112 HB3 LEU 112 12.246 3.076 3.920 595 HG LEU 112 HG LEU 112 10.494 1.551 3.136 596 HD11 LEU 112 HD11 LEU 112 10.071 3.983 3.661 597 HD12 LEU 112 HD12 LEU 112 8.891 3.249 2.558 598 HD13 LEU 112 HD13 LEU 112 10.147 4.305 1.932 599 HD21 LEU 112 HD21 LEU 112 9.772 1.387 0.845 600 HD22 LEU 112 HD22 LEU 112 11.529 1.137 0.811 601 HD23 LEU 112 HD23 LEU 112 10.843 2.693 0.349 602 H LYS 113 H LYS 113 14.028 5.945 1.406 603 HA LYS 113 HA LYS 113 16.257 5.920 3.316 604 HB2 LYS 113 HB2 LYS 113 16.649 6.816 1.085 605 HB3 LYS 113 HB3 LYS 113 15.271 7.908 1.259 606 HG2 LYS 113 HG2 LYS 113 16.533 8.986 3.239 607 HG3 LYS 113 HG3 LYS 113 17.910 7.967 2.803 608 HD2 LYS 113 HD2 LYS 113 18.215 10.173 1.866 609 HD3 LYS 113 HD3 LYS 113 17.907 9.037 0.548 610 HE2 LYS 113 HE2 LYS 113 15.383 9.778 0.860 611 HE3 LYS 113 HE3 LYS 113 16.057 11.136 1.769 612 HZ1 LYS 113 HZ1 LYS 113 16.731 10.363 -0.997 613 HZ2 LYS 113 HZ2 LYS 113 17.320 11.696 -0.226 614 HZ3 LYS 113 HZ3 LYS 113 15.710 11.589 -0.617 615 H VAL 114 H VAL 114 15.910 6.610 5.406 616 HA VAL 114 HA VAL 114 13.913 8.771 5.865 617 HB VAL 114 HB VAL 114 14.119 6.241 7.548 618 HG11 VAL 114 HG11 VAL 114 13.355 8.167 8.851 619 HG12 VAL 114 HG12 VAL 114 12.172 8.586 7.590 620 HG13 VAL 114 HG13 VAL 114 11.974 7.108 8.540 621 HG21 VAL 114 HG21 VAL 114 11.826 5.692 6.685 622 HG22 VAL 114 HG22 VAL 114 12.012 6.975 5.463 623 HG23 VAL 114 HG23 VAL 114 13.080 5.554 5.466 624 H TRP 115 H TRP 115 14.511 10.224 7.438 625 HA TRP 115 HA TRP 115 17.260 9.978 8.570 626 HB2 TRP 115 HB2 TRP 115 15.347 12.314 8.081 627 HB3 TRP 115 HB3 TRP 115 16.600 12.384 9.301 628 HD1 TRP 115 HD1 TRP 115 16.118 13.766 6.175 629 HE1 TRP 115 HE1 TRP 115 18.348 14.422 5.060 630 HE3 TRP 115 HE3 TRP 115 19.293 11.023 9.057 631 HZ2 TRP 115 HZ2 TRP 115 21.166 13.851 5.421 632 HZ3 TRP 115 HZ3 TRP 115 21.758 11.237 8.787 633 HH2 TRP 115 HH2 TRP 115 22.697 12.633 6.947 Start of MODEL 4 1 H1 MET 1 H MET 1 -17.064 3.327 5.599 2 HA MET 1 HA MET 1 -17.930 5.171 6.953 3 HB2 MET 1 HB2 MET 1 -18.059 3.001 9.034 4 HB3 MET 1 HB3 MET 1 -17.943 4.721 9.488 5 HG2 MET 1 HG2 MET 1 -19.886 5.224 8.179 6 HG3 MET 1 HG3 MET 1 -20.009 3.580 7.545 7 HE1 MET 1 HE1 MET 1 -21.101 1.608 8.681 8 HE2 MET 1 HE2 MET 1 -19.788 1.565 9.887 9 HE3 MET 1 HE3 MET 1 -21.487 1.524 10.411 10 H LYS 2 H LYS 2 -15.654 3.432 9.215 11 HA LYS 2 HA LYS 2 -13.711 5.504 8.798 12 HB2 LYS 2 HB2 LYS 2 -13.487 2.637 9.837 13 HB3 LYS 2 HB3 LYS 2 -12.129 3.761 9.793 14 HG2 LYS 2 HG2 LYS 2 -13.262 5.314 11.286 15 HG3 LYS 2 HG3 LYS 2 -14.702 4.273 11.343 16 HD2 LYS 2 HD2 LYS 2 -13.356 2.430 12.300 17 HD3 LYS 2 HD3 LYS 2 -11.887 3.427 12.165 18 HE2 LYS 2 HE2 LYS 2 -13.030 5.135 13.644 19 HE3 LYS 2 HE3 LYS 2 -14.320 3.956 13.929 20 HZ1 LYS 2 HZ1 LYS 2 -12.584 3.948 15.613 21 HZ2 LYS 2 HZ2 LYS 2 -11.443 3.573 14.494 22 HZ3 LYS 2 HZ3 LYS 2 -12.612 2.462 14.837 23 H VAL 3 H VAL 3 -11.761 5.409 7.662 24 HA VAL 3 HA VAL 3 -10.744 5.355 5.617 25 HB VAL 3 HB VAL 3 -10.438 2.425 6.365 26 HG11 VAL 3 HG11 VAL 3 -8.424 4.428 5.251 27 HG12 VAL 3 HG12 VAL 3 -8.217 2.678 5.452 28 HG13 VAL 3 HG13 VAL 3 -9.346 3.297 4.246 29 HG21 VAL 3 HG21 VAL 3 -8.535 3.140 7.807 30 HG22 VAL 3 HG22 VAL 3 -9.031 4.835 7.604 31 HG23 VAL 3 HG23 VAL 3 -10.088 3.676 8.439 32 HA PRO 4 HA PRO 4 -14.176 3.377 3.177 33 HB2 PRO 4 HB2 PRO 4 -15.369 5.506 2.026 34 HB3 PRO 4 HB3 PRO 4 -15.655 5.093 3.746 35 HG2 PRO 4 HG2 PRO 4 -13.711 7.156 2.626 36 HG3 PRO 4 HG3 PRO 4 -14.915 7.364 3.933 37 HD2 PRO 4 HD2 PRO 4 -12.270 6.754 4.417 38 HD3 PRO 4 HD3 PRO 4 -13.587 6.210 5.481 39 H GLY 5 H GLY 5 -11.497 5.464 2.303 40 HA2 GLY 5 HA2 GLY 5 -10.485 4.194 0.173 41 HA3 GLY 5 HA3 GLY 5 -11.717 5.256 -0.551 42 H VAL 6 H VAL 6 -8.721 5.162 1.307 43 HA VAL 6 HA VAL 6 -8.525 8.150 1.338 44 HB VAL 6 HB VAL 6 -6.880 6.059 2.832 45 HG11 VAL 6 HG11 VAL 6 -5.611 8.116 2.481 46 HG12 VAL 6 HG12 VAL 6 -6.975 9.088 3.074 47 HG13 VAL 6 HG13 VAL 6 -6.122 8.002 4.172 48 HG21 VAL 6 HG21 VAL 6 -9.141 7.803 3.854 49 HG22 VAL 6 HG22 VAL 6 -9.173 6.040 3.695 50 HG23 VAL 6 HG23 VAL 6 -8.077 6.809 4.857 51 H ARG 7 H ARG 7 -7.396 8.960 -0.411 52 HA ARG 7 HA ARG 7 -6.074 7.265 -2.226 53 HB2 ARG 7 HB2 ARG 7 -5.548 9.109 -3.499 54 HB3 ARG 7 HB3 ARG 7 -7.069 9.518 -2.738 55 HG2 ARG 7 HG2 ARG 7 -4.311 10.592 -2.012 56 HG3 ARG 7 HG3 ARG 7 -5.571 11.433 -2.864 57 HD2 ARG 7 HD2 ARG 7 -5.575 10.619 0.046 58 HD3 ARG 7 HD3 ARG 7 -5.506 12.252 -0.615 59 HE ARG 7 HE ARG 7 -7.840 11.566 -1.618 60 HH11 ARG 7 HH11 ARG 7 -6.523 11.580 1.650 61 HH12 ARG 7 HH12 ARG 7 -8.038 11.175 2.438 62 HH21 ARG 7 HH21 ARG 7 -9.933 11.175 -0.527 63 HH22 ARG 7 HH22 ARG 7 -9.991 11.168 1.194 64 H VAL 8 H VAL 8 -4.053 6.622 -2.566 65 HA VAL 8 HA VAL 8 -1.790 7.745 -1.097 66 HB VAL 8 HB VAL 8 -1.031 5.395 -0.604 67 HG11 VAL 8 HG11 VAL 8 -3.556 6.215 0.873 68 HG12 VAL 8 HG12 VAL 8 -2.244 5.167 1.476 69 HG13 VAL 8 HG13 VAL 8 -1.925 6.883 1.159 70 HG21 VAL 8 HG21 VAL 8 -2.630 3.583 -0.389 71 HG22 VAL 8 HG22 VAL 8 -3.962 4.614 -0.943 72 HG23 VAL 8 HG23 VAL 8 -2.663 4.175 -2.054 73 H ARG 9 H ARG 9 0.225 7.228 -2.278 74 HA ARG 9 HA ARG 9 -0.270 6.349 -5.078 75 HB2 ARG 9 HB2 ARG 9 -0.072 8.834 -4.862 76 HB3 ARG 9 HB3 ARG 9 1.570 8.620 -4.232 77 HG2 ARG 9 HG2 ARG 9 2.217 7.516 -6.368 78 HG3 ARG 9 HG3 ARG 9 0.540 7.604 -6.922 79 HD2 ARG 9 HD2 ARG 9 1.760 9.338 -7.997 80 HD3 ARG 9 HD3 ARG 9 0.654 10.093 -6.832 81 HE ARG 9 HE ARG 9 3.228 9.643 -5.647 82 HH11 ARG 9 HH11 ARG 9 1.866 11.723 -8.244 83 HH12 ARG 9 HH12 ARG 9 2.916 13.013 -7.837 84 HH21 ARG 9 HH21 ARG 9 4.631 11.470 -5.223 85 HH22 ARG 9 HH22 ARG 9 4.266 12.965 -6.024 86 H ALA 10 H ALA 10 1.140 4.922 -5.866 87 HA ALA 10 HA ALA 10 2.811 3.399 -4.146 88 HB1 ALA 10 HB1 ALA 10 2.631 3.587 -7.152 89 HB2 ALA 10 HB2 ALA 10 3.428 2.274 -6.254 90 HB3 ALA 10 HB3 ALA 10 1.672 2.512 -6.119 91 H LEU 11 H LEU 11 4.856 3.334 -3.760 92 HA LEU 11 HA LEU 11 6.638 5.559 -4.523 93 HB2 LEU 11 HB2 LEU 11 6.857 3.220 -2.572 94 HB3 LEU 11 HB3 LEU 11 8.097 4.438 -2.785 95 HG LEU 11 HG LEU 11 5.265 5.004 -1.806 96 HD11 LEU 11 HD11 LEU 11 7.874 4.795 -0.258 97 HD12 LEU 11 HD12 LEU 11 6.516 3.663 -0.185 98 HD13 LEU 11 HD13 LEU 11 6.316 5.313 0.407 99 HD21 LEU 11 HD21 LEU 11 7.700 6.794 -2.135 100 HD22 LEU 11 HD22 LEU 11 6.316 7.218 -1.131 101 HD23 LEU 11 HD23 LEU 11 6.116 6.978 -2.879 102 H TYR 12 H TYR 12 6.130 2.085 -5.101 103 HA TYR 12 HA TYR 12 8.254 2.070 -7.118 104 HB2 TYR 12 HB2 TYR 12 8.218 -0.299 -5.303 105 HB3 TYR 12 HB3 TYR 12 9.544 0.397 -6.206 106 HD1 TYR 12 HD1 TYR 12 7.723 0.303 -3.079 107 HD2 TYR 12 HD2 TYR 12 10.744 2.441 -5.203 108 HE1 TYR 12 HE1 TYR 12 8.577 1.192 -0.906 109 HE2 TYR 12 HE2 TYR 12 11.536 3.444 -3.042 110 HH TYR 12 HH TYR 12 11.520 3.117 -0.666 111 H ASP 13 H ASP 13 8.167 -0.137 -8.258 112 HA ASP 13 HA ASP 13 5.370 -0.776 -8.915 113 HB2 ASP 13 HB2 ASP 13 6.333 -1.872 -10.881 114 HB3 ASP 13 HB3 ASP 13 6.821 -0.187 -10.773 115 H TYR 14 H TYR 14 4.795 -2.049 -7.060 116 HA TYR 14 HA TYR 14 6.010 -4.781 -7.074 117 HB2 TYR 14 HB2 TYR 14 5.489 -2.937 -4.765 118 HB3 TYR 14 HB3 TYR 14 5.095 -4.637 -4.557 119 HD1 TYR 14 HD1 TYR 14 6.751 -6.105 -3.793 120 HD2 TYR 14 HD2 TYR 14 7.911 -2.571 -6.003 121 HE1 TYR 14 HE1 TYR 14 9.137 -6.769 -3.643 122 HE2 TYR 14 HE2 TYR 14 10.266 -3.237 -5.871 123 HH TYR 14 HH TYR 14 11.611 -5.141 -5.556 124 H THR 15 H THR 15 4.596 -6.488 -6.966 125 HA THR 15 HA THR 15 1.699 -5.769 -7.209 126 HB THR 15 HB THR 15 2.513 -6.317 -9.318 127 HG1 THR 15 HG1 THR 15 1.480 -8.709 -8.243 128 HG21 THR 15 HG21 THR 15 4.026 -8.725 -8.268 129 HG22 THR 15 HG22 THR 15 4.711 -7.242 -8.971 130 HG23 THR 15 HG23 THR 15 3.758 -8.323 -9.976 131 H GLY 16 H GLY 16 1.649 -5.958 -4.838 132 HA2 GLY 16 HA2 GLY 16 1.269 -7.111 -2.928 133 HA3 GLY 16 HA3 GLY 16 0.603 -8.392 -3.981 134 H GLN 17 H GLN 17 1.404 -9.951 -2.544 135 HA GLN 17 HA GLN 17 4.289 -10.529 -2.856 136 HB2 GLN 17 HB2 GLN 17 3.477 -9.644 -0.495 137 HB3 GLN 17 HB3 GLN 17 2.897 -11.287 -0.293 138 HG2 GLN 17 HG2 GLN 17 5.776 -10.495 -0.984 139 HG3 GLN 17 HG3 GLN 17 5.198 -10.831 0.644 140 HE21 GLN 17 HE21 GLN 17 7.001 -12.276 -1.759 141 HE22 GLN 17 HE22 GLN 17 6.576 -13.935 -1.388 142 H GLU 18 H GLU 18 0.897 -11.572 -2.880 143 HA GLU 18 HA GLU 18 1.651 -14.173 -3.945 144 HB2 GLU 18 HB2 GLU 18 -0.388 -13.832 -1.695 145 HB3 GLU 18 HB3 GLU 18 0.204 -15.324 -2.397 146 HG2 GLU 18 HG2 GLU 18 2.428 -14.932 -1.374 147 HG3 GLU 18 HG3 GLU 18 1.824 -13.434 -0.645 148 H ALA 19 H ALA 19 -0.633 -15.264 -4.519 149 HA ALA 19 HA ALA 19 -1.927 -13.534 -6.386 150 HB1 ALA 19 HB1 ALA 19 -2.873 -16.237 -5.328 151 HB2 ALA 19 HB2 ALA 19 -3.251 -15.499 -6.893 152 HB3 ALA 19 HB3 ALA 19 -1.600 -16.058 -6.545 153 H ASP 20 H ASP 20 -2.694 -14.338 -3.036 154 HA ASP 20 HA ASP 20 -5.503 -13.630 -3.242 155 HB2 ASP 20 HB2 ASP 20 -4.222 -15.295 -1.657 156 HB3 ASP 20 HB3 ASP 20 -3.964 -13.881 -0.661 157 H GLU 21 H GLU 21 -2.793 -11.721 -3.213 158 HA GLU 21 HA GLU 21 -3.917 -9.490 -1.620 159 HB2 GLU 21 HB2 GLU 21 -1.155 -9.407 -2.740 160 HB3 GLU 21 HB3 GLU 21 -1.773 -8.820 -1.208 161 HG2 GLU 21 HG2 GLU 21 -0.970 -11.648 -1.931 162 HG3 GLU 21 HG3 GLU 21 -0.129 -10.552 -0.860 163 H LEU 22 H LEU 22 -3.132 -7.349 -2.673 164 HA LEU 22 HA LEU 22 -4.425 -7.009 -5.282 165 HB2 LEU 22 HB2 LEU 22 -4.662 -5.616 -2.972 166 HB3 LEU 22 HB3 LEU 22 -3.217 -4.835 -3.529 167 HG LEU 22 HG LEU 22 -4.382 -3.980 -5.486 168 HD11 LEU 22 HD11 LEU 22 -7.030 -4.415 -5.422 169 HD12 LEU 22 HD12 LEU 22 -6.509 -5.935 -4.666 170 HD13 LEU 22 HD13 LEU 22 -5.909 -5.498 -6.253 171 HD21 LEU 22 HD21 LEU 22 -5.944 -3.591 -2.935 172 HD22 LEU 22 HD22 LEU 22 -6.073 -2.568 -4.379 173 HD23 LEU 22 HD23 LEU 22 -4.535 -2.670 -3.491 174 H SER 23 H SER 23 -3.243 -5.079 -6.657 175 HA SER 23 HA SER 23 -0.337 -5.123 -6.368 176 HB2 SER 23 HB2 SER 23 -0.191 -5.709 -8.881 177 HB3 SER 23 HB3 SER 23 -0.443 -7.006 -7.700 178 HG SER 23 HG SER 23 -2.572 -5.840 -9.171 179 H PHE 24 H PHE 24 0.672 -3.287 -7.514 180 HA PHE 24 HA PHE 24 -1.135 -1.436 -8.878 181 HB2 PHE 24 HB2 PHE 24 -0.406 0.410 -7.428 182 HB3 PHE 24 HB3 PHE 24 -1.506 -0.723 -6.682 183 HD1 PHE 24 HD1 PHE 24 2.152 0.132 -6.895 184 HD2 PHE 24 HD2 PHE 24 -1.025 -1.636 -4.519 185 HE1 PHE 24 HE1 PHE 24 3.613 0.161 -4.908 186 HE2 PHE 24 HE2 PHE 24 0.479 -1.495 -2.527 187 HZ PHE 24 HZ PHE 24 2.706 -0.584 -2.697 188 H LYS 25 H LYS 25 0.365 0.457 -9.687 189 HA LYS 25 HA LYS 25 3.086 -0.624 -10.274 190 HB2 LYS 25 HB2 LYS 25 0.961 0.446 -12.067 191 HB3 LYS 25 HB3 LYS 25 2.539 1.143 -12.358 192 HG2 LYS 25 HG2 LYS 25 2.025 -1.867 -12.241 193 HG3 LYS 25 HG3 LYS 25 2.060 -0.899 -13.721 194 HD2 LYS 25 HD2 LYS 25 4.395 -0.164 -13.160 195 HD3 LYS 25 HD3 LYS 25 4.392 -1.258 -11.791 196 HE2 LYS 25 HE2 LYS 25 4.017 -2.132 -14.678 197 HE3 LYS 25 HE3 LYS 25 5.564 -2.094 -13.823 198 HZ1 LYS 25 HZ1 LYS 25 4.396 -3.614 -12.147 199 HZ2 LYS 25 HZ2 LYS 25 4.872 -4.231 -13.603 200 HZ3 LYS 25 HZ3 LYS 25 3.297 -3.873 -13.349 201 H ALA 26 H ALA 26 4.705 1.035 -10.859 202 HA ALA 26 HA ALA 26 5.165 2.754 -8.709 203 HB1 ALA 26 HB1 ALA 26 6.991 1.935 -10.025 204 HB2 ALA 26 HB2 ALA 26 6.289 2.590 -11.525 205 HB3 ALA 26 HB3 ALA 26 6.954 3.673 -10.298 206 H GLY 27 H GLY 27 4.293 4.653 -8.158 207 HA2 GLY 27 HA2 GLY 27 3.571 6.811 -8.345 208 HA3 GLY 27 HA3 GLY 27 3.721 6.723 -10.100 209 H GLU 28 H GLU 28 1.800 4.041 -9.297 210 HA GLU 28 HA GLU 28 -0.562 5.318 -10.314 211 HB2 GLU 28 HB2 GLU 28 0.047 2.897 -10.618 212 HB3 GLU 28 HB3 GLU 28 -0.249 2.646 -8.872 213 HG2 GLU 28 HG2 GLU 28 -2.598 3.227 -9.156 214 HG3 GLU 28 HG3 GLU 28 -2.331 3.558 -10.868 215 H GLU 29 H GLU 29 -2.508 5.766 -9.195 216 HA GLU 29 HA GLU 29 -2.209 6.234 -6.270 217 HB2 GLU 29 HB2 GLU 29 -4.200 7.401 -8.260 218 HB3 GLU 29 HB3 GLU 29 -4.248 7.615 -6.508 219 HG2 GLU 29 HG2 GLU 29 -1.934 8.622 -6.626 220 HG3 GLU 29 HG3 GLU 29 -2.106 8.646 -8.384 221 H LEU 30 H LEU 30 -3.611 5.208 -4.890 222 HA LEU 30 HA LEU 30 -5.760 3.419 -5.897 223 HB2 LEU 30 HB2 LEU 30 -4.795 1.913 -3.941 224 HB3 LEU 30 HB3 LEU 30 -4.461 1.628 -5.632 225 HG LEU 30 HG LEU 30 -2.500 3.155 -3.908 226 HD11 LEU 30 HD11 LEU 30 -1.346 0.995 -3.541 227 HD12 LEU 30 HD12 LEU 30 -2.695 0.139 -4.336 228 HD13 LEU 30 HD13 LEU 30 -2.933 0.980 -2.798 229 HD21 LEU 30 HD21 LEU 30 -1.988 3.264 -6.289 230 HD22 LEU 30 HD22 LEU 30 -2.272 1.540 -6.487 231 HD23 LEU 30 HD23 LEU 30 -0.872 2.140 -5.555 232 H MET 31 H MET 31 -7.227 2.871 -3.943 233 HA MET 31 HA MET 31 -7.166 5.065 -1.931 234 HB2 MET 31 HB2 MET 31 -9.756 3.727 -2.698 235 HB3 MET 31 HB3 MET 31 -9.455 5.242 -1.909 236 HG2 MET 31 HG2 MET 31 -8.830 4.711 -4.828 237 HG3 MET 31 HG3 MET 31 -10.260 5.534 -4.225 238 HE1 MET 31 HE1 MET 31 -9.174 8.976 -3.126 239 HE2 MET 31 HE2 MET 31 -10.468 7.809 -3.438 240 HE3 MET 31 HE3 MET 31 -9.409 7.608 -2.017 241 H LYS 32 H LYS 32 -6.463 4.245 -0.087 242 HA LYS 32 HA LYS 32 -6.542 1.498 0.642 243 HB2 LYS 32 HB2 LYS 32 -4.940 3.147 1.473 244 HB3 LYS 32 HB3 LYS 32 -6.232 4.044 2.277 245 HG2 LYS 32 HG2 LYS 32 -6.745 2.024 3.673 246 HG3 LYS 32 HG3 LYS 32 -5.350 1.207 2.944 247 HD2 LYS 32 HD2 LYS 32 -4.431 2.085 4.919 248 HD3 LYS 32 HD3 LYS 32 -3.957 3.273 3.703 249 HE2 LYS 32 HE2 LYS 32 -6.184 4.499 4.395 250 HE3 LYS 32 HE3 LYS 32 -6.141 3.426 5.808 251 HZ1 LYS 32 HZ1 LYS 32 -4.147 5.451 5.021 252 HZ2 LYS 32 HZ2 LYS 32 -3.840 4.315 6.151 253 HZ3 LYS 32 HZ3 LYS 32 -5.055 5.422 6.396 254 H ILE 33 H ILE 33 -7.986 0.294 2.002 255 HA ILE 33 HA ILE 33 -10.369 1.762 2.850 256 HB ILE 33 HB ILE 33 -11.791 0.080 2.322 257 HG12 ILE 33 HG12 ILE 33 -9.512 -1.620 1.251 258 HG13 ILE 33 HG13 ILE 33 -10.386 -1.916 2.735 259 HG21 ILE 33 HG21 ILE 33 -11.171 1.735 0.567 260 HG22 ILE 33 HG22 ILE 33 -10.060 0.543 -0.135 261 HG23 ILE 33 HG23 ILE 33 -11.795 0.224 -0.092 262 HD11 ILE 33 HD11 ILE 33 -12.502 -2.109 1.363 263 HD12 ILE 33 HD12 ILE 33 -11.495 -2.025 -0.088 264 HD13 ILE 33 HD13 ILE 33 -11.274 -3.359 1.061 265 H SER 34 H SER 34 -7.767 0.075 4.146 266 HA SER 34 HA SER 34 -9.229 -0.346 6.668 267 HB2 SER 34 HB2 SER 34 -7.448 -2.371 5.272 268 HB3 SER 34 HB3 SER 34 -7.911 -2.472 6.970 269 HG SER 34 HG SER 34 -9.257 -3.757 5.843 270 H GLU 35 H GLU 35 -7.409 -0.837 8.416 271 HA GLU 35 HA GLU 35 -5.562 1.421 8.230 272 HB2 GLU 35 HB2 GLU 35 -5.325 1.231 10.539 273 HB3 GLU 35 HB3 GLU 35 -7.000 0.788 10.238 274 HG2 GLU 35 HG2 GLU 35 -5.957 -1.697 10.168 275 HG3 GLU 35 HG3 GLU 35 -4.667 -0.934 11.103 276 H GLU 36 H GLU 36 -3.268 0.993 9.254 277 HA GLU 36 HA GLU 36 -2.001 -1.007 7.550 278 HB2 GLU 36 HB2 GLU 36 -1.368 1.449 7.982 279 HB3 GLU 36 HB3 GLU 36 -0.681 0.918 9.511 280 HG2 GLU 36 HG2 GLU 36 0.994 -0.353 8.447 281 HG3 GLU 36 HG3 GLU 36 0.108 -0.489 6.927 282 H ASP 37 H ASP 37 -1.753 -2.994 8.228 283 HA ASP 37 HA ASP 37 -2.101 -3.704 11.049 284 HB2 ASP 37 HB2 ASP 37 -3.173 -4.817 9.058 285 HB3 ASP 37 HB3 ASP 37 -1.622 -5.520 8.676 286 H GLU 38 H GLU 38 -0.443 -5.610 11.698 287 HA GLU 38 HA GLU 38 1.905 -4.398 12.426 288 HB2 GLU 38 HB2 GLU 38 0.551 -6.651 13.123 289 HB3 GLU 38 HB3 GLU 38 1.863 -7.398 12.218 290 HG2 GLU 38 HG2 GLU 38 2.513 -7.313 14.507 291 HG3 GLU 38 HG3 GLU 38 3.485 -6.106 13.683 292 H GLN 39 H GLN 39 1.538 -6.264 9.445 293 HA GLN 39 HA GLN 39 4.461 -6.033 8.956 294 HB2 GLN 39 HB2 GLN 39 2.289 -7.875 7.986 295 HB3 GLN 39 HB3 GLN 39 3.507 -7.462 6.829 296 HG2 GLN 39 HG2 GLN 39 3.864 -8.999 9.387 297 HG3 GLN 39 HG3 GLN 39 4.210 -9.469 7.745 298 HE21 GLN 39 HE21 GLN 39 5.432 -7.590 10.497 299 HE22 GLN 39 HE22 GLN 39 7.036 -7.322 9.868 300 H GLY 40 H GLY 40 2.280 -3.829 8.793 301 HA2 GLY 40 HA2 GLY 40 2.170 -1.919 7.512 302 HA3 GLY 40 HA3 GLY 40 3.512 -2.518 6.521 303 H TRP 41 H TRP 41 0.563 -4.391 7.155 304 HA TRP 41 HA TRP 41 0.058 -4.556 4.252 305 HB2 TRP 41 HB2 TRP 41 -0.584 -6.171 6.707 306 HB3 TRP 41 HB3 TRP 41 -1.766 -6.174 5.413 307 HD1 TRP 41 HD1 TRP 41 0.735 -8.343 6.461 308 HE1 TRP 41 HE1 TRP 41 1.543 -9.843 4.537 309 HE3 TRP 41 HE3 TRP 41 -0.953 -5.604 2.531 310 HZ2 TRP 41 HZ2 TRP 41 1.775 -9.659 1.688 311 HZ3 TRP 41 HZ3 TRP 41 -0.487 -6.357 0.208 312 HH2 TRP 41 HH2 TRP 41 0.808 -8.289 -0.255 313 H CYS 42 H CYS 42 -1.635 -3.440 3.315 314 HA CYS 42 HA CYS 42 -3.700 -2.256 5.128 315 HB2 CYS 42 HB2 CYS 42 -1.980 -0.956 3.006 316 HB3 CYS 42 HB3 CYS 42 -3.625 -0.376 3.325 317 HG CYS 42 HG CYS 42 -1.300 -0.783 5.596 318 H LYS 43 H LYS 43 -5.694 -2.896 4.411 319 HA LYS 43 HA LYS 43 -5.858 -4.111 1.707 320 HB2 LYS 43 HB2 LYS 43 -7.439 -4.236 4.153 321 HB3 LYS 43 HB3 LYS 43 -8.486 -3.768 2.812 322 HG2 LYS 43 HG2 LYS 43 -6.598 -6.028 2.226 323 HG3 LYS 43 HG3 LYS 43 -7.751 -6.315 3.526 324 HD2 LYS 43 HD2 LYS 43 -9.602 -5.720 1.941 325 HD3 LYS 43 HD3 LYS 43 -8.399 -5.484 0.668 326 HE2 LYS 43 HE2 LYS 43 -9.267 -7.747 0.467 327 HE3 LYS 43 HE3 LYS 43 -7.608 -7.882 1.050 328 HZ1 LYS 43 HZ1 LYS 43 -8.424 -8.363 3.225 329 HZ2 LYS 43 HZ2 LYS 43 -9.297 -9.278 2.186 330 HZ3 LYS 43 HZ3 LYS 43 -9.983 -7.948 2.812 331 H GLY 44 H GLY 44 -6.822 -3.118 -0.098 332 HA2 GLY 44 HA2 GLY 44 -8.093 -0.498 0.197 333 HA3 GLY 44 HA3 GLY 44 -6.535 -0.438 -0.542 334 H ARG 45 H ARG 45 -8.409 0.457 -2.047 335 HA ARG 45 HA ARG 45 -9.198 -1.650 -3.969 336 HB2 ARG 45 HB2 ARG 45 -11.116 -0.643 -2.708 337 HB3 ARG 45 HB3 ARG 45 -10.609 0.974 -3.202 338 HG2 ARG 45 HG2 ARG 45 -11.177 0.544 -5.510 339 HG3 ARG 45 HG3 ARG 45 -11.343 -1.186 -5.209 340 HD2 ARG 45 HD2 ARG 45 -13.533 -0.484 -5.351 341 HD3 ARG 45 HD3 ARG 45 -13.255 -0.582 -3.608 342 HE ARG 45 HE ARG 45 -12.723 2.086 -4.607 343 HH11 ARG 45 HH11 ARG 45 -15.340 -0.091 -3.675 344 HH12 ARG 45 HH12 ARG 45 -16.541 1.145 -3.591 345 HH21 ARG 45 HH21 ARG 45 -14.235 3.695 -4.444 346 HH22 ARG 45 HH22 ARG 45 -15.901 3.420 -3.992 347 H LEU 46 H LEU 46 -9.076 -0.981 -6.141 348 HA LEU 46 HA LEU 46 -7.019 1.170 -6.693 349 HB2 LEU 46 HB2 LEU 46 -7.826 -1.373 -8.133 350 HB3 LEU 46 HB3 LEU 46 -6.841 -0.143 -8.912 351 HG LEU 46 HG LEU 46 -5.900 -1.051 -6.216 352 HD11 LEU 46 HD11 LEU 46 -6.638 -3.123 -7.203 353 HD12 LEU 46 HD12 LEU 46 -4.862 -3.028 -7.315 354 HD13 LEU 46 HD13 LEU 46 -5.840 -2.719 -8.736 355 HD21 LEU 46 HD21 LEU 46 -3.715 -0.850 -7.290 356 HD22 LEU 46 HD22 LEU 46 -4.643 0.629 -7.606 357 HD23 LEU 46 HD23 LEU 46 -4.466 -0.595 -8.870 358 H LEU 47 H LEU 47 -7.363 2.247 -8.923 359 HA LEU 47 HA LEU 47 -9.859 3.604 -8.989 360 HB2 LEU 47 HB2 LEU 47 -7.550 3.263 -10.903 361 HB3 LEU 47 HB3 LEU 47 -9.022 3.967 -11.522 362 HG LEU 47 HG LEU 47 -7.229 5.564 -10.808 363 HD11 LEU 47 HD11 LEU 47 -8.780 7.189 -9.861 364 HD12 LEU 47 HD12 LEU 47 -9.937 5.906 -9.448 365 HD13 LEU 47 HD13 LEU 47 -9.559 6.266 -11.148 366 HD21 LEU 47 HD21 LEU 47 -6.670 4.366 -8.653 367 HD22 LEU 47 HD22 LEU 47 -8.115 5.106 -7.946 368 HD23 LEU 47 HD23 LEU 47 -6.782 6.114 -8.588 369 H THR 48 H THR 48 -8.740 0.714 -10.631 370 HA THR 48 HA THR 48 -10.972 0.358 -12.368 371 HB THR 48 HB THR 48 -8.651 -0.434 -12.747 372 HG1 THR 48 HG1 THR 48 -10.220 -1.435 -13.926 373 HG21 THR 48 HG21 THR 48 -9.249 -2.563 -10.650 374 HG22 THR 48 HG22 THR 48 -8.031 -1.264 -10.527 375 HG23 THR 48 HG23 THR 48 -7.858 -2.524 -11.744 376 H GLY 49 H GLY 49 -11.044 0.250 -9.050 377 HA2 GLY 49 HA2 GLY 49 -12.726 -0.344 -7.677 378 HA3 GLY 49 HA3 GLY 49 -13.516 -1.232 -8.978 379 H HIS 50 H HIS 50 -10.468 -2.566 -8.965 380 HA HIS 50 HA HIS 50 -11.360 -4.949 -7.626 381 HB2 HIS 50 HB2 HIS 50 -9.815 -4.939 -9.565 382 HB3 HIS 50 HB3 HIS 50 -8.592 -4.119 -8.581 383 HD1 HIS 50 HD1 HIS 50 -10.670 -7.350 -7.762 384 HD2 HIS 50 HD2 HIS 50 -6.776 -5.877 -8.312 385 HE1 HIS 50 HE1 HIS 50 -9.094 -9.257 -7.156 386 H VAL 51 H VAL 51 -10.522 -5.862 -5.565 387 HA VAL 51 HA VAL 51 -9.284 -3.872 -3.754 388 HB VAL 51 HB VAL 51 -11.591 -5.773 -3.139 389 HG11 VAL 51 HG11 VAL 51 -10.450 -3.493 -1.473 390 HG12 VAL 51 HG12 VAL 51 -11.856 -4.503 -1.053 391 HG13 VAL 51 HG13 VAL 51 -10.259 -5.220 -1.121 392 HG21 VAL 51 HG21 VAL 51 -11.704 -2.767 -3.549 393 HG22 VAL 51 HG22 VAL 51 -12.451 -4.005 -4.584 394 HG23 VAL 51 HG23 VAL 51 -13.029 -3.785 -2.943 395 H GLY 52 H GLY 52 -7.973 -4.703 -2.144 396 HA2 GLY 52 HA2 GLY 52 -7.711 -7.407 -1.357 397 HA3 GLY 52 HA3 GLY 52 -6.578 -7.138 -2.683 398 H LEU 53 H LEU 53 -5.275 -7.838 -0.558 399 HA LEU 53 HA LEU 53 -4.552 -5.636 1.244 400 HB2 LEU 53 HB2 LEU 53 -3.635 -8.487 0.759 401 HB3 LEU 53 HB3 LEU 53 -2.627 -7.457 1.734 402 HG LEU 53 HG LEU 53 -5.563 -7.960 2.362 403 HD11 LEU 53 HD11 LEU 53 -4.868 -9.499 4.050 404 HD12 LEU 53 HD12 LEU 53 -3.149 -9.181 3.731 405 HD13 LEU 53 HD13 LEU 53 -4.138 -10.030 2.529 406 HD21 LEU 53 HD21 LEU 53 -3.287 -6.797 4.023 407 HD22 LEU 53 HD22 LEU 53 -4.953 -7.052 4.578 408 HD23 LEU 53 HD23 LEU 53 -4.610 -5.841 3.350 409 H TYR 54 H TYR 54 -2.820 -4.221 0.920 410 HA TYR 54 HA TYR 54 -1.044 -4.779 -1.361 411 HB2 TYR 54 HB2 TYR 54 -1.210 -2.654 -2.233 412 HB3 TYR 54 HB3 TYR 54 -2.843 -3.146 -1.999 413 HD1 TYR 54 HD1 TYR 54 -4.350 -1.804 -0.707 414 HD2 TYR 54 HD2 TYR 54 -0.099 -1.113 -0.414 415 HE1 TYR 54 HE1 TYR 54 -4.756 0.159 0.764 416 HE2 TYR 54 HE2 TYR 54 -0.514 0.764 1.076 417 HH TYR 54 HH TYR 54 -2.028 1.982 2.223 418 HA PRO 55 HA PRO 55 1.811 -4.096 1.925 419 HB2 PRO 55 HB2 PRO 55 4.157 -3.931 0.608 420 HB3 PRO 55 HB3 PRO 55 3.195 -5.427 0.657 421 HG2 PRO 55 HG2 PRO 55 3.301 -3.361 -1.567 422 HG3 PRO 55 HG3 PRO 55 3.433 -5.143 -1.700 423 HD2 PRO 55 HD2 PRO 55 1.065 -3.786 -2.066 424 HD3 PRO 55 HD3 PRO 55 1.135 -5.434 -1.377 425 H ALA 56 H ALA 56 1.378 -2.203 2.965 426 HA ALA 56 HA ALA 56 1.288 0.354 1.838 427 HB1 ALA 56 HB1 ALA 56 0.251 -0.421 4.023 428 HB2 ALA 56 HB2 ALA 56 1.857 -0.236 4.758 429 HB3 ALA 56 HB3 ALA 56 1.038 1.172 4.070 430 H ASN 57 H ASN 57 4.095 -1.381 3.036 431 HA ASN 57 HA ASN 57 5.801 0.876 3.415 432 HB2 ASN 57 HB2 ASN 57 6.550 -1.890 2.376 433 HB3 ASN 57 HB3 ASN 57 7.653 -0.680 3.023 434 HD21 ASN 57 HD21 ASN 57 5.479 -3.361 3.898 435 HD22 ASN 57 HD22 ASN 57 5.923 -3.196 5.593 436 H TYR 58 H TYR 58 4.392 -0.288 0.490 437 HA TYR 58 HA TYR 58 6.481 0.894 -1.224 438 HB2 TYR 58 HB2 TYR 58 4.444 -1.257 -1.835 439 HB3 TYR 58 HB3 TYR 58 5.566 -0.578 -3.007 440 HD1 TYR 58 HD1 TYR 58 5.396 -2.306 0.300 441 HD2 TYR 58 HD2 TYR 58 7.666 -1.814 -3.325 442 HE1 TYR 58 HE1 TYR 58 7.050 -3.942 1.116 443 HE2 TYR 58 HE2 TYR 58 9.323 -3.415 -2.515 444 HH TYR 58 HH TYR 58 9.757 -5.149 -0.658 445 H VAL 59 H VAL 59 3.903 2.095 0.273 446 HA VAL 59 HA VAL 59 3.163 3.815 -1.986 447 HB VAL 59 HB VAL 59 1.504 1.727 -1.328 448 HG11 VAL 59 HG11 VAL 59 -0.382 2.598 0.029 449 HG12 VAL 59 HG12 VAL 59 1.125 2.453 1.004 450 HG13 VAL 59 HG13 VAL 59 0.511 4.015 0.441 451 HG21 VAL 59 HG21 VAL 59 0.983 3.074 -3.198 452 HG22 VAL 59 HG22 VAL 59 -0.428 2.919 -2.205 453 HG23 VAL 59 HG23 VAL 59 0.492 4.439 -2.149 454 H GLU 60 H GLU 60 2.013 5.837 -0.996 455 HA GLU 60 HA GLU 60 2.244 6.240 1.791 456 HB2 GLU 60 HB2 GLU 60 4.639 6.932 0.382 457 HB3 GLU 60 HB3 GLU 60 3.831 8.452 0.815 458 HG2 GLU 60 HG2 GLU 60 3.480 7.539 3.116 459 HG3 GLU 60 HG3 GLU 60 4.437 6.118 2.700 460 H LYS 61 H LYS 61 1.575 8.735 2.221 461 HA LYS 61 HA LYS 61 -0.888 8.906 0.668 462 HB2 LYS 61 HB2 LYS 61 -0.439 9.321 3.244 463 HB3 LYS 61 HB3 LYS 61 -0.067 10.966 2.717 464 HG2 LYS 61 HG2 LYS 61 -2.319 11.296 1.901 465 HG3 LYS 61 HG3 LYS 61 -2.624 9.558 1.847 466 HD2 LYS 61 HD2 LYS 61 -3.843 10.372 3.729 467 HD3 LYS 61 HD3 LYS 61 -2.469 9.428 4.311 468 HE2 LYS 61 HE2 LYS 61 -1.325 11.877 4.226 469 HE3 LYS 61 HE3 LYS 61 -2.979 12.401 4.477 470 HZ1 LYS 61 HZ1 LYS 61 -1.467 10.546 6.221 471 HZ2 LYS 61 HZ2 LYS 61 -3.037 10.987 6.460 472 HZ3 LYS 61 HZ3 LYS 61 -1.823 12.103 6.547 473 H VAL 62 H VAL 62 -1.563 10.875 -0.425 474 HA VAL 62 HA VAL 62 0.681 12.591 -1.353 475 HB VAL 62 HB VAL 62 0.425 10.646 -2.853 476 HG11 VAL 62 HG11 VAL 62 -1.520 10.498 -4.371 477 HG12 VAL 62 HG12 VAL 62 -1.975 10.204 -2.695 478 HG13 VAL 62 HG13 VAL 62 -2.341 11.769 -3.475 479 HG21 VAL 62 HG21 VAL 62 -0.291 13.277 -4.195 480 HG22 VAL 62 HG22 VAL 62 1.338 12.760 -3.707 481 HG23 VAL 62 HG23 VAL 62 0.461 11.860 -4.952 482 H GLY 63 H GLY 63 -2.776 12.318 -0.618 483 HA2 GLY 63 HA2 GLY 63 -3.550 14.783 -1.822 484 HA3 GLY 63 HA3 GLY 63 -4.386 13.952 -0.507 485 H LEU 64 H LEU 64 -2.904 14.001 1.616 486 HA LEU 64 HA LEU 64 -2.806 16.843 2.303 487 HB2 LEU 64 HB2 LEU 64 -3.201 14.339 3.727 488 HB3 LEU 64 HB3 LEU 64 -1.898 15.220 4.498 489 HG LEU 64 HG LEU 64 -4.634 16.378 3.875 490 HD11 LEU 64 HD11 LEU 64 -3.528 15.380 6.534 491 HD12 LEU 64 HD12 LEU 64 -4.757 14.559 5.551 492 HD13 LEU 64 HD13 LEU 64 -5.121 16.129 6.267 493 HD21 LEU 64 HD21 LEU 64 -2.391 17.471 5.642 494 HD22 LEU 64 HD22 LEU 64 -4.016 18.175 5.468 495 HD23 LEU 64 HD23 LEU 64 -2.928 18.160 4.090 496 H ALA 65 H ALA 65 -0.972 17.590 3.770 497 HA ALA 65 HA ALA 65 1.705 16.601 3.193 498 HB1 ALA 65 HB1 ALA 65 0.577 19.377 2.603 499 HB2 ALA 65 HB2 ALA 65 2.312 18.937 2.498 500 HB3 ALA 65 HB3 ALA 65 1.130 18.223 1.375 501 H ALA 66 H ALA 66 3.155 18.045 4.519 502 HA ALA 66 HA ALA 66 3.703 18.072 6.825 503 HB1 ALA 66 HB1 ALA 66 3.974 20.505 7.163 504 HB2 ALA 66 HB2 ALA 66 4.389 20.012 5.512 505 HB3 ALA 66 HB3 ALA 66 2.834 20.817 5.848 506 H ALA 67 H ALA 67 2.033 16.849 8.040 507 HA ALA 67 HA ALA 67 0.511 18.621 9.813 508 HB1 ALA 67 HB1 ALA 67 -1.131 17.751 8.115 509 HB2 ALA 67 HB2 ALA 67 -0.717 16.097 8.656 510 HB3 ALA 67 HB3 ALA 67 -1.452 17.223 9.786 511 H1 THR 101 H THR 101 2.269 -11.609 10.724 512 HA THR 101 HA THR 101 -0.523 -12.418 11.255 513 HB THR 101 HB THR 101 -0.183 -9.971 10.622 514 HG1 THR 101 HG1 THR 101 -1.909 -10.034 9.232 515 HG21 THR 101 HG21 THR 101 0.808 -11.191 7.984 516 HG22 THR 101 HG22 THR 101 1.579 -9.971 9.012 517 HG23 THR 101 HG23 THR 101 0.105 -9.619 8.094 518 H LYS 102 H LYS 102 -1.550 -13.391 9.193 519 HA LYS 102 HA LYS 102 0.276 -15.409 8.159 520 HB2 LYS 102 HB2 LYS 102 -2.371 -15.554 8.448 521 HB3 LYS 102 HB3 LYS 102 -2.374 -14.839 6.818 522 HG2 LYS 102 HG2 LYS 102 -0.883 -16.682 6.022 523 HG3 LYS 102 HG3 LYS 102 -0.864 -17.331 7.658 524 HD2 LYS 102 HD2 LYS 102 -3.576 -17.259 7.190 525 HD3 LYS 102 HD3 LYS 102 -2.976 -17.482 5.551 526 HE2 LYS 102 HE2 LYS 102 -3.451 -19.639 6.593 527 HE3 LYS 102 HE3 LYS 102 -1.716 -19.501 6.277 528 HZ1 LYS 102 HZ1 LYS 102 -2.402 -20.364 8.554 529 HZ2 LYS 102 HZ2 LYS 102 -2.925 -18.848 8.896 530 HZ3 LYS 102 HZ3 LYS 102 -1.331 -19.118 8.577 531 H GLY 103 H GLY 103 1.261 -15.385 6.093 532 HA2 GLY 103 HA2 GLY 103 1.934 -14.468 4.050 533 HA3 GLY 103 HA3 GLY 103 0.623 -13.297 4.176 534 HA PRO 104 HA PRO 104 4.257 -11.409 6.782 535 HB2 PRO 104 HB2 PRO 104 6.781 -12.449 6.368 536 HB3 PRO 104 HB3 PRO 104 5.657 -13.016 7.644 537 HG2 PRO 104 HG2 PRO 104 6.238 -14.257 4.945 538 HG3 PRO 104 HG3 PRO 104 6.022 -15.056 6.536 539 HD2 PRO 104 HD2 PRO 104 4.040 -14.893 4.637 540 HD3 PRO 104 HD3 PRO 104 3.701 -14.951 6.386 541 H ALA 105 H ALA 105 4.175 -9.653 5.563 542 HA ALA 105 HA ALA 105 4.188 -9.094 3.003 543 HB1 ALA 105 HB1 ALA 105 5.059 -6.753 3.830 544 HB2 ALA 105 HB2 ALA 105 3.615 -7.441 4.584 545 HB3 ALA 105 HB3 ALA 105 5.204 -7.540 5.386 546 HA PRO 106 HA PRO 106 8.001 -9.211 0.866 547 HB2 PRO 106 HB2 PRO 106 7.958 -6.727 -0.498 548 HB3 PRO 106 HB3 PRO 106 7.165 -8.257 -0.945 549 HG2 PRO 106 HG2 PRO 106 6.008 -5.847 0.389 550 HG3 PRO 106 HG3 PRO 106 5.263 -6.905 -0.847 551 HD2 PRO 106 HD2 PRO 106 4.692 -7.052 1.801 552 HD3 PRO 106 HD3 PRO 106 4.686 -8.487 0.776 553 H ASN 107 H ASN 107 7.506 -6.490 2.719 554 HA ASN 107 HA ASN 107 9.776 -4.921 2.654 555 HB2 ASN 107 HB2 ASN 107 9.096 -3.904 4.645 556 HB3 ASN 107 HB3 ASN 107 7.619 -4.635 4.064 557 HD21 ASN 107 HD21 ASN 107 6.508 -5.945 5.578 558 HD22 ASN 107 HD22 ASN 107 7.283 -6.763 6.896 559 HA PRO 108 HA PRO 108 11.152 -3.741 5.193 560 HB2 PRO 108 HB2 PRO 108 13.895 -3.229 4.872 561 HB3 PRO 108 HB3 PRO 108 13.054 -3.768 6.345 562 HG2 PRO 108 HG2 PRO 108 14.526 -5.433 4.298 563 HG3 PRO 108 HG3 PRO 108 14.564 -5.554 6.090 564 HD2 PRO 108 HD2 PRO 108 13.072 -7.224 4.603 565 HD3 PRO 108 HD3 PRO 108 12.442 -6.579 6.141 566 HA PRO 109 HA PRO 109 10.974 -1.347 1.534 567 HB2 PRO 109 HB2 PRO 109 12.332 1.019 2.008 568 HB3 PRO 109 HB3 PRO 109 10.701 0.608 2.607 569 HG2 PRO 109 HG2 PRO 109 13.351 0.308 4.044 570 HG3 PRO 109 HG3 PRO 109 11.823 1.000 4.669 571 HD2 PRO 109 HD2 PRO 109 12.528 -1.513 5.252 572 HD3 PRO 109 HD3 PRO 109 10.830 -1.152 4.852 573 HA PRO 110 HA PRO 110 14.545 -2.395 -0.874 574 HB2 PRO 110 HB2 PRO 110 13.792 -1.456 -3.350 575 HB3 PRO 110 HB3 PRO 110 13.109 -2.914 -2.578 576 HG2 PRO 110 HG2 PRO 110 11.952 -0.114 -2.640 577 HG3 PRO 110 HG3 PRO 110 11.121 -1.666 -2.954 578 HD2 PRO 110 HD2 PRO 110 11.011 -0.408 -0.529 579 HD3 PRO 110 HD3 PRO 110 11.036 -2.194 -0.662 580 H ILE 111 H ILE 111 13.383 0.932 -1.770 581 HA ILE 111 HA ILE 111 16.051 2.038 -1.210 582 HB ILE 111 HB ILE 111 16.022 3.284 -3.331 583 HG12 ILE 111 HG12 ILE 111 13.734 1.477 -4.247 584 HG13 ILE 111 HG13 ILE 111 13.541 3.146 -3.724 585 HG21 ILE 111 HG21 ILE 111 17.271 1.163 -3.108 586 HG22 ILE 111 HG22 ILE 111 15.884 0.295 -3.809 587 HG23 ILE 111 HG23 ILE 111 16.750 1.490 -4.766 588 HD11 ILE 111 HD11 ILE 111 13.640 3.235 -6.090 589 HD12 ILE 111 HD12 ILE 111 15.202 3.837 -5.520 590 HD13 ILE 111 HD13 ILE 111 15.067 2.182 -6.156 591 H LEU 112 H LEU 112 15.731 4.606 -1.809 592 HA LEU 112 HA LEU 112 14.954 6.556 -1.094 593 HB2 LEU 112 HB2 LEU 112 12.368 5.207 -1.816 594 HB3 LEU 112 HB3 LEU 112 12.324 6.757 -1.027 595 HG LEU 112 HG LEU 112 12.052 7.144 -3.283 596 HD11 LEU 112 HD11 LEU 112 14.887 8.015 -2.737 597 HD12 LEU 112 HD12 LEU 112 13.460 8.718 -1.932 598 HD13 LEU 112 HD13 LEU 112 13.625 8.824 -3.692 599 HD21 LEU 112 HD21 LEU 112 13.025 5.223 -4.340 600 HD22 LEU 112 HD22 LEU 112 14.673 5.709 -3.845 601 HD23 LEU 112 HD23 LEU 112 13.757 6.673 -5.016 602 H LYS 113 H LYS 113 15.596 4.515 0.986 603 HA LYS 113 HA LYS 113 13.779 4.836 3.152 604 HB2 LYS 113 HB2 LYS 113 16.769 4.240 3.069 605 HB3 LYS 113 HB3 LYS 113 15.859 4.324 4.563 606 HG2 LYS 113 HG2 LYS 113 14.316 2.533 3.697 607 HG3 LYS 113 HG3 LYS 113 15.313 2.390 2.254 608 HD2 LYS 113 HD2 LYS 113 15.795 0.642 3.991 609 HD3 LYS 113 HD3 LYS 113 17.202 1.601 3.527 610 HE2 LYS 113 HE2 LYS 113 17.113 1.195 5.976 611 HE3 LYS 113 HE3 LYS 113 17.110 2.899 5.559 612 HZ1 LYS 113 HZ1 LYS 113 14.852 1.300 6.571 613 HZ2 LYS 113 HZ2 LYS 113 14.607 2.779 5.824 614 HZ3 LYS 113 HZ3 LYS 113 15.501 2.686 7.158 615 H VAL 114 H VAL 114 14.142 5.977 5.148 616 HA VAL 114 HA VAL 114 15.254 8.715 4.798 617 HB VAL 114 HB VAL 114 12.899 7.783 6.496 618 HG11 VAL 114 HG11 VAL 114 12.476 10.185 6.860 619 HG12 VAL 114 HG12 VAL 114 14.079 9.748 7.465 620 HG13 VAL 114 HG13 VAL 114 13.922 10.605 5.921 621 HG21 VAL 114 HG21 VAL 114 12.283 7.743 4.110 622 HG22 VAL 114 HG22 VAL 114 11.492 9.082 4.946 623 HG23 VAL 114 HG23 VAL 114 12.911 9.399 3.924 624 H TRP 115 H TRP 115 17.238 8.493 5.664 625 HA TRP 115 HA TRP 115 18.947 7.773 6.961 626 HB2 TRP 115 HB2 TRP 115 17.231 9.752 8.295 627 HB3 TRP 115 HB3 TRP 115 18.256 8.907 9.422 628 HD1 TRP 115 HD1 TRP 115 18.851 10.551 5.968 629 HE1 TRP 115 HE1 TRP 115 21.131 11.772 6.025 630 HE3 TRP 115 HE3 TRP 115 20.212 9.531 10.799 631 HZ2 TRP 115 HZ2 TRP 115 23.293 12.123 7.872 632 HZ3 TRP 115 HZ3 TRP 115 22.383 10.333 11.681 633 HH2 TRP 115 HH2 TRP 115 23.943 11.606 10.224 Start of MODEL 5 1 H1 MET 1 H MET 1 -19.649 2.418 8.162 2 HA MET 1 HA MET 1 -18.402 3.385 9.940 3 HB2 MET 1 HB2 MET 1 -16.470 2.098 7.953 4 HB3 MET 1 HB3 MET 1 -16.162 2.376 9.664 5 HG2 MET 1 HG2 MET 1 -16.815 0.113 9.534 6 HG3 MET 1 HG3 MET 1 -18.182 0.976 10.211 7 HE1 MET 1 HE1 MET 1 -16.884 -1.321 7.285 8 HE2 MET 1 HE2 MET 1 -17.985 -0.896 5.959 9 HE3 MET 1 HE3 MET 1 -16.807 0.295 6.550 10 H LYS 2 H LYS 2 -17.522 5.269 10.589 11 HA LYS 2 HA LYS 2 -17.172 7.434 8.818 12 HB2 LYS 2 HB2 LYS 2 -16.401 6.955 11.706 13 HB3 LYS 2 HB3 LYS 2 -16.194 8.522 10.963 14 HG2 LYS 2 HG2 LYS 2 -18.944 7.236 10.867 15 HG3 LYS 2 HG3 LYS 2 -18.337 7.907 12.369 16 HD2 LYS 2 HD2 LYS 2 -19.528 9.676 11.483 17 HD3 LYS 2 HD3 LYS 2 -17.858 10.076 11.089 18 HE2 LYS 2 HE2 LYS 2 -18.327 9.028 8.769 19 HE3 LYS 2 HE3 LYS 2 -20.033 8.970 9.260 20 HZ1 LYS 2 HZ1 LYS 2 -19.813 11.441 9.631 21 HZ2 LYS 2 HZ2 LYS 2 -19.633 11.010 8.072 22 HZ3 LYS 2 HZ3 LYS 2 -18.322 11.364 8.962 23 H VAL 3 H VAL 3 -14.971 4.988 8.820 24 HA VAL 3 HA VAL 3 -12.638 6.774 8.497 25 HB VAL 3 HB VAL 3 -12.233 5.191 10.145 26 HG11 VAL 3 HG11 VAL 3 -13.115 2.931 8.326 27 HG12 VAL 3 HG12 VAL 3 -12.328 2.762 9.901 28 HG13 VAL 3 HG13 VAL 3 -13.922 3.496 9.809 29 HG21 VAL 3 HG21 VAL 3 -10.399 5.622 8.537 30 HG22 VAL 3 HG22 VAL 3 -10.278 4.060 9.359 31 HG23 VAL 3 HG23 VAL 3 -10.834 4.127 7.678 32 HA PRO 4 HA PRO 4 -13.863 5.728 4.162 33 HB2 PRO 4 HB2 PRO 4 -13.146 8.041 2.934 34 HB3 PRO 4 HB3 PRO 4 -14.625 7.940 3.939 35 HG2 PRO 4 HG2 PRO 4 -11.869 8.906 4.798 36 HG3 PRO 4 HG3 PRO 4 -13.418 9.781 4.959 37 HD2 PRO 4 HD2 PRO 4 -12.421 8.306 7.009 38 HD3 PRO 4 HD3 PRO 4 -14.175 8.315 6.647 39 H GLY 5 H GLY 5 -12.331 5.830 2.040 40 HA2 GLY 5 HA2 GLY 5 -9.880 4.669 2.869 41 HA3 GLY 5 HA3 GLY 5 -10.384 4.974 1.205 42 H VAL 6 H VAL 6 -7.693 5.347 2.137 43 HA VAL 6 HA VAL 6 -7.393 8.337 2.079 44 HB VAL 6 HB VAL 6 -5.077 7.835 2.869 45 HG11 VAL 6 HG11 VAL 6 -6.881 8.867 4.250 46 HG12 VAL 6 HG12 VAL 6 -7.342 7.238 4.808 47 HG13 VAL 6 HG13 VAL 6 -5.747 7.897 5.220 48 HG21 VAL 6 HG21 VAL 6 -4.983 5.394 2.622 49 HG22 VAL 6 HG22 VAL 6 -4.706 5.880 4.294 50 HG23 VAL 6 HG23 VAL 6 -6.291 5.226 3.828 51 H ARG 7 H ARG 7 -6.436 9.150 0.273 52 HA ARG 7 HA ARG 7 -5.786 7.193 -1.822 53 HB2 ARG 7 HB2 ARG 7 -5.938 8.866 -3.346 54 HB3 ARG 7 HB3 ARG 7 -7.138 9.361 -2.184 55 HG2 ARG 7 HG2 ARG 7 -4.338 10.542 -2.504 56 HG3 ARG 7 HG3 ARG 7 -5.821 11.227 -3.093 57 HD2 ARG 7 HD2 ARG 7 -5.024 10.919 -0.203 58 HD3 ARG 7 HD3 ARG 7 -5.097 12.409 -1.147 59 HE ARG 7 HE ARG 7 -7.606 11.645 -1.439 60 HH11 ARG 7 HH11 ARG 7 -5.634 11.668 1.481 61 HH12 ARG 7 HH12 ARG 7 -6.924 11.849 2.616 62 HH21 ARG 7 HH21 ARG 7 -9.348 12.163 -0.019 63 HH22 ARG 7 HH22 ARG 7 -9.137 12.220 1.693 64 H VAL 8 H VAL 8 -3.750 6.512 -2.220 65 HA VAL 8 HA VAL 8 -1.478 8.085 -1.204 66 HB VAL 8 HB VAL 8 -0.382 6.192 -0.224 67 HG11 VAL 8 HG11 VAL 8 -1.961 7.388 1.277 68 HG12 VAL 8 HG12 VAL 8 -3.251 6.261 0.841 69 HG13 VAL 8 HG13 VAL 8 -1.820 5.689 1.700 70 HG21 VAL 8 HG21 VAL 8 -1.029 4.397 -1.635 71 HG22 VAL 8 HG22 VAL 8 -1.578 3.988 -0.006 72 HG23 VAL 8 HG23 VAL 8 -2.743 4.577 -1.227 73 H ARG 9 H ARG 9 0.519 7.536 -2.430 74 HA ARG 9 HA ARG 9 -0.163 6.455 -5.132 75 HB2 ARG 9 HB2 ARG 9 0.058 8.996 -4.785 76 HB3 ARG 9 HB3 ARG 9 1.785 8.732 -4.580 77 HG2 ARG 9 HG2 ARG 9 0.219 7.717 -7.000 78 HG3 ARG 9 HG3 ARG 9 0.785 9.366 -6.905 79 HD2 ARG 9 HD2 ARG 9 2.924 7.458 -6.254 80 HD3 ARG 9 HD3 ARG 9 2.202 7.144 -7.836 81 HE ARG 9 HE ARG 9 2.608 9.865 -7.838 82 HH11 ARG 9 HH11 ARG 9 4.698 7.017 -7.398 83 HH12 ARG 9 HH12 ARG 9 6.122 7.742 -8.021 84 HH21 ARG 9 HH21 ARG 9 4.548 10.905 -8.730 85 HH22 ARG 9 HH22 ARG 9 6.011 9.994 -8.812 86 H ALA 10 H ALA 10 1.214 5.044 -6.004 87 HA ALA 10 HA ALA 10 3.063 3.694 -4.233 88 HB1 ALA 10 HB1 ALA 10 3.373 2.257 -6.223 89 HB2 ALA 10 HB2 ALA 10 1.660 2.466 -5.796 90 HB3 ALA 10 HB3 ALA 10 2.351 3.355 -7.177 91 H LEU 11 H LEU 11 5.116 4.252 -3.941 92 HA LEU 11 HA LEU 11 6.438 6.193 -5.715 93 HB2 LEU 11 HB2 LEU 11 7.412 4.799 -3.198 94 HB3 LEU 11 HB3 LEU 11 8.239 6.102 -4.041 95 HG LEU 11 HG LEU 11 5.573 6.302 -2.574 96 HD11 LEU 11 HD11 LEU 11 8.372 7.380 -2.004 97 HD12 LEU 11 HD12 LEU 11 7.502 6.124 -1.101 98 HD13 LEU 11 HD13 LEU 11 6.926 7.796 -1.082 99 HD21 LEU 11 HD21 LEU 11 7.129 8.444 -4.098 100 HD22 LEU 11 HD22 LEU 11 5.781 8.758 -2.982 101 HD23 LEU 11 HD23 LEU 11 5.493 7.850 -4.467 102 H TYR 12 H TYR 12 6.178 2.788 -5.600 103 HA TYR 12 HA TYR 12 8.334 2.430 -7.500 104 HB2 TYR 12 HB2 TYR 12 8.507 0.262 -5.552 105 HB3 TYR 12 HB3 TYR 12 9.750 1.209 -6.313 106 HD1 TYR 12 HD1 TYR 12 7.225 1.354 -3.608 107 HD2 TYR 12 HD2 TYR 12 11.099 2.647 -4.922 108 HE1 TYR 12 HE1 TYR 12 7.611 2.485 -1.378 109 HE2 TYR 12 HE2 TYR 12 11.529 3.621 -2.674 110 HH TYR 12 HH TYR 12 10.762 3.658 -0.418 111 H ASP 13 H ASP 13 8.212 -0.033 -8.141 112 HA ASP 13 HA ASP 13 5.367 -0.718 -8.650 113 HB2 ASP 13 HB2 ASP 13 6.242 -1.768 -10.669 114 HB3 ASP 13 HB3 ASP 13 6.707 -0.073 -10.547 115 H TYR 14 H TYR 14 4.726 -2.226 -7.033 116 HA TYR 14 HA TYR 14 6.086 -4.852 -7.084 117 HB2 TYR 14 HB2 TYR 14 5.728 -3.074 -4.662 118 HB3 TYR 14 HB3 TYR 14 5.458 -4.766 -4.485 119 HD1 TYR 14 HD1 TYR 14 7.278 -6.122 -3.806 120 HD2 TYR 14 HD2 TYR 14 8.064 -2.426 -5.896 121 HE1 TYR 14 HE1 TYR 14 9.697 -6.554 -3.679 122 HE2 TYR 14 HE2 TYR 14 10.480 -2.904 -5.863 123 HH TYR 14 HH TYR 14 12.122 -4.624 -5.420 124 H THR 15 H THR 15 4.638 -6.618 -6.312 125 HA THR 15 HA THR 15 1.772 -5.830 -6.070 126 HB THR 15 HB THR 15 1.998 -6.262 -8.394 127 HG1 THR 15 HG1 THR 15 0.635 -8.198 -6.893 128 HG21 THR 15 HG21 THR 15 3.291 -8.961 -7.890 129 HG22 THR 15 HG22 THR 15 4.129 -7.516 -8.468 130 HG23 THR 15 HG23 THR 15 2.832 -8.234 -9.436 131 H GLY 16 H GLY 16 2.271 -6.126 -3.955 132 HA2 GLY 16 HA2 GLY 16 2.560 -7.280 -1.969 133 HA3 GLY 16 HA3 GLY 16 1.453 -8.389 -2.743 134 H GLN 17 H GLN 17 2.384 -10.148 -1.660 135 HA GLN 17 HA GLN 17 4.934 -11.109 -2.708 136 HB2 GLN 17 HB2 GLN 17 5.181 -10.020 -0.376 137 HB3 GLN 17 HB3 GLN 17 4.222 -11.366 0.208 138 HG2 GLN 17 HG2 GLN 17 6.668 -11.682 0.528 139 HG3 GLN 17 HG3 GLN 17 6.003 -12.950 -0.501 140 HE21 GLN 17 HE21 GLN 17 6.825 -13.111 -2.714 141 HE22 GLN 17 HE22 GLN 17 8.081 -12.041 -3.262 142 H GLU 18 H GLU 18 1.732 -11.624 -2.888 143 HA GLU 18 HA GLU 18 1.998 -14.570 -2.834 144 HB2 GLU 18 HB2 GLU 18 1.126 -13.473 -0.648 145 HB3 GLU 18 HB3 GLU 18 -0.270 -12.955 -1.559 146 HG2 GLU 18 HG2 GLU 18 -0.968 -15.297 -1.880 147 HG3 GLU 18 HG3 GLU 18 0.526 -15.857 -1.124 148 H ALA 19 H ALA 19 -0.426 -15.275 -3.516 149 HA ALA 19 HA ALA 19 -0.961 -14.150 -6.186 150 HB1 ALA 19 HB1 ALA 19 -0.627 -16.604 -5.875 151 HB2 ALA 19 HB2 ALA 19 -1.987 -16.651 -4.728 152 HB3 ALA 19 HB3 ALA 19 -2.264 -16.229 -6.425 153 H ASP 20 H ASP 20 -1.969 -13.529 -3.058 154 HA ASP 20 HA ASP 20 -4.777 -12.837 -3.769 155 HB2 ASP 20 HB2 ASP 20 -3.678 -14.187 -1.299 156 HB3 ASP 20 HB3 ASP 20 -5.145 -13.233 -1.186 157 H GLU 21 H GLU 21 -2.535 -11.074 -4.077 158 HA GLU 21 HA GLU 21 -3.080 -8.958 -2.056 159 HB2 GLU 21 HB2 GLU 21 -0.720 -8.217 -2.823 160 HB3 GLU 21 HB3 GLU 21 -0.886 -9.543 -1.680 161 HG2 GLU 21 HG2 GLU 21 0.794 -10.106 -3.450 162 HG3 GLU 21 HG3 GLU 21 -0.546 -11.188 -3.353 163 H LEU 22 H LEU 22 -2.434 -6.750 -3.122 164 HA LEU 22 HA LEU 22 -3.912 -6.449 -5.687 165 HB2 LEU 22 HB2 LEU 22 -3.133 -4.576 -3.420 166 HB3 LEU 22 HB3 LEU 22 -3.601 -3.945 -4.998 167 HG LEU 22 HG LEU 22 -5.307 -5.774 -3.316 168 HD11 LEU 22 HD11 LEU 22 -5.447 -2.765 -3.611 169 HD12 LEU 22 HD12 LEU 22 -5.063 -3.684 -2.158 170 HD13 LEU 22 HD13 LEU 22 -6.685 -3.772 -2.858 171 HD21 LEU 22 HD21 LEU 22 -5.703 -4.539 -6.021 172 HD22 LEU 22 HD22 LEU 22 -7.104 -4.749 -4.958 173 HD23 LEU 22 HD23 LEU 22 -6.127 -6.144 -5.430 174 H SER 23 H SER 23 -2.904 -5.386 -7.423 175 HA SER 23 HA SER 23 0.036 -5.292 -7.276 176 HB2 SER 23 HB2 SER 23 -0.263 -5.587 -9.749 177 HB3 SER 23 HB3 SER 23 -0.939 -6.914 -8.795 178 HG SER 23 HG SER 23 -2.268 -6.301 -10.464 179 H PHE 24 H PHE 24 1.050 -3.224 -7.513 180 HA PHE 24 HA PHE 24 -0.661 -1.172 -8.790 181 HB2 PHE 24 HB2 PHE 24 -0.150 0.473 -7.141 182 HB3 PHE 24 HB3 PHE 24 -1.141 -0.836 -6.527 183 HD1 PHE 24 HD1 PHE 24 2.396 0.322 -6.720 184 HD2 PHE 24 HD2 PHE 24 -0.522 -1.910 -4.442 185 HE1 PHE 24 HE1 PHE 24 3.872 0.389 -4.757 186 HE2 PHE 24 HE2 PHE 24 1.033 -1.879 -2.505 187 HZ PHE 24 HZ PHE 24 3.197 -0.723 -2.660 188 H LYS 25 H LYS 25 0.441 0.106 -10.151 189 HA LYS 25 HA LYS 25 3.283 -0.640 -10.629 190 HB2 LYS 25 HB2 LYS 25 0.987 0.277 -12.278 191 HB3 LYS 25 HB3 LYS 25 2.453 1.172 -12.614 192 HG2 LYS 25 HG2 LYS 25 2.510 -0.699 -14.084 193 HG3 LYS 25 HG3 LYS 25 3.686 -1.022 -12.816 194 HD2 LYS 25 HD2 LYS 25 1.684 -2.375 -11.690 195 HD3 LYS 25 HD3 LYS 25 1.029 -2.334 -13.342 196 HE2 LYS 25 HE2 LYS 25 3.495 -3.105 -13.979 197 HE3 LYS 25 HE3 LYS 25 3.584 -3.586 -12.278 198 HZ1 LYS 25 HZ1 LYS 25 1.466 -4.874 -12.825 199 HZ2 LYS 25 HZ2 LYS 25 2.895 -5.448 -13.485 200 HZ3 LYS 25 HZ3 LYS 25 1.829 -4.571 -14.394 201 H ALA 26 H ALA 26 4.923 1.064 -11.075 202 HA ALA 26 HA ALA 26 4.956 3.004 -8.961 203 HB1 ALA 26 HB1 ALA 26 7.059 2.150 -9.930 204 HB2 ALA 26 HB2 ALA 26 6.641 2.851 -11.510 205 HB3 ALA 26 HB3 ALA 26 6.965 3.906 -10.123 206 H GLY 27 H GLY 27 3.759 4.837 -8.883 207 HA2 GLY 27 HA2 GLY 27 3.235 7.025 -9.777 208 HA3 GLY 27 HA3 GLY 27 3.109 6.337 -11.388 209 H GLU 28 H GLU 28 1.663 3.958 -9.750 210 HA GLU 28 HA GLU 28 -0.989 4.863 -10.399 211 HB2 GLU 28 HB2 GLU 28 -0.093 2.581 -10.802 212 HB3 GLU 28 HB3 GLU 28 -0.036 2.294 -9.055 213 HG2 GLU 28 HG2 GLU 28 -2.333 2.142 -8.854 214 HG3 GLU 28 HG3 GLU 28 -2.649 3.167 -10.259 215 H GLU 29 H GLU 29 -2.773 4.675 -8.874 216 HA GLU 29 HA GLU 29 -2.097 5.569 -6.121 217 HB2 GLU 29 HB2 GLU 29 -4.383 6.289 -7.974 218 HB3 GLU 29 HB3 GLU 29 -4.379 6.643 -6.241 219 HG2 GLU 29 HG2 GLU 29 -2.279 7.995 -6.587 220 HG3 GLU 29 HG3 GLU 29 -2.525 7.812 -8.341 221 H LEU 30 H LEU 30 -3.790 4.962 -4.543 222 HA LEU 30 HA LEU 30 -5.596 2.795 -5.171 223 HB2 LEU 30 HB2 LEU 30 -4.523 1.398 -3.279 224 HB3 LEU 30 HB3 LEU 30 -3.774 1.297 -4.892 225 HG LEU 30 HG LEU 30 -2.601 3.412 -3.162 226 HD11 LEU 30 HD11 LEU 30 -3.163 1.837 -1.387 227 HD12 LEU 30 HD12 LEU 30 -1.414 1.901 -1.662 228 HD13 LEU 30 HD13 LEU 30 -2.342 0.526 -2.261 229 HD21 LEU 30 HD21 LEU 30 -0.518 2.544 -3.974 230 HD22 LEU 30 HD22 LEU 30 -1.632 2.555 -5.334 231 HD23 LEU 30 HD23 LEU 30 -1.271 1.029 -4.514 232 H MET 31 H MET 31 -6.966 2.336 -3.270 233 HA MET 31 HA MET 31 -6.830 4.472 -1.204 234 HB2 MET 31 HB2 MET 31 -9.492 3.305 -2.030 235 HB3 MET 31 HB3 MET 31 -9.090 4.806 -1.209 236 HG2 MET 31 HG2 MET 31 -7.858 5.438 -3.409 237 HG3 MET 31 HG3 MET 31 -8.794 4.146 -4.144 238 HE1 MET 31 HE1 MET 31 -10.063 8.358 -2.978 239 HE2 MET 31 HE2 MET 31 -9.004 7.377 -1.938 240 HE3 MET 31 HE3 MET 31 -8.504 7.776 -3.599 241 H LYS 32 H LYS 32 -6.209 3.558 0.666 242 HA LYS 32 HA LYS 32 -6.519 0.741 1.213 243 HB2 LYS 32 HB2 LYS 32 -4.809 1.917 2.263 244 HB3 LYS 32 HB3 LYS 32 -5.882 3.195 2.866 245 HG2 LYS 32 HG2 LYS 32 -6.959 1.565 4.411 246 HG3 LYS 32 HG3 LYS 32 -5.896 0.323 3.753 247 HD2 LYS 32 HD2 LYS 32 -4.786 0.985 5.769 248 HD3 LYS 32 HD3 LYS 32 -3.915 1.770 4.460 249 HE2 LYS 32 HE2 LYS 32 -5.510 3.780 4.888 250 HE3 LYS 32 HE3 LYS 32 -5.915 2.979 6.406 251 HZ1 LYS 32 HZ1 LYS 32 -3.690 3.119 7.113 252 HZ2 LYS 32 HZ2 LYS 32 -4.075 4.615 6.596 253 HZ3 LYS 32 HZ3 LYS 32 -3.117 3.639 5.660 254 H ILE 33 H ILE 33 -8.125 -0.323 2.429 255 HA ILE 33 HA ILE 33 -10.311 1.370 3.436 256 HB ILE 33 HB ILE 33 -11.946 -0.087 2.543 257 HG12 ILE 33 HG12 ILE 33 -10.462 -1.587 0.530 258 HG13 ILE 33 HG13 ILE 33 -9.826 -1.981 2.124 259 HG21 ILE 33 HG21 ILE 33 -11.821 0.468 0.156 260 HG22 ILE 33 HG22 ILE 33 -11.284 1.834 1.149 261 HG23 ILE 33 HG23 ILE 33 -10.113 0.826 0.288 262 HD11 ILE 33 HD11 ILE 33 -12.068 -2.615 2.888 263 HD12 ILE 33 HD12 ILE 33 -12.742 -2.173 1.295 264 HD13 ILE 33 HD13 ILE 33 -11.581 -3.513 1.432 265 H SER 34 H SER 34 -8.013 -0.463 4.525 266 HA SER 34 HA SER 34 -9.537 -1.513 6.771 267 HB2 SER 34 HB2 SER 34 -9.170 -3.341 4.984 268 HB3 SER 34 HB3 SER 34 -7.436 -3.203 5.368 269 HG SER 34 HG SER 34 -9.580 -3.834 7.134 270 H GLU 35 H GLU 35 -7.460 -2.445 8.238 271 HA GLU 35 HA GLU 35 -5.822 -0.005 8.611 272 HB2 GLU 35 HB2 GLU 35 -5.566 -0.823 10.877 273 HB3 GLU 35 HB3 GLU 35 -7.275 -0.967 10.450 274 HG2 GLU 35 HG2 GLU 35 -6.649 -3.411 9.704 275 HG3 GLU 35 HG3 GLU 35 -5.174 -3.158 10.640 276 H GLU 36 H GLU 36 -3.579 -0.347 9.368 277 HA GLU 36 HA GLU 36 -2.116 -2.109 7.627 278 HB2 GLU 36 HB2 GLU 36 -1.554 0.319 8.152 279 HB3 GLU 36 HB3 GLU 36 -1.162 -0.206 9.793 280 HG2 GLU 36 HG2 GLU 36 0.484 -1.854 8.760 281 HG3 GLU 36 HG3 GLU 36 0.175 -1.102 7.194 282 H ASP 37 H ASP 37 -1.151 -3.997 8.340 283 HA ASP 37 HA ASP 37 -1.545 -4.856 11.168 284 HB2 ASP 37 HB2 ASP 37 -2.821 -6.051 9.526 285 HB3 ASP 37 HB3 ASP 37 -1.397 -6.472 8.627 286 H GLU 38 H GLU 38 0.287 -6.681 11.661 287 HA GLU 38 HA GLU 38 2.537 -5.270 12.274 288 HB2 GLU 38 HB2 GLU 38 1.479 -7.500 13.150 289 HB3 GLU 38 HB3 GLU 38 2.667 -8.279 12.110 290 HG2 GLU 38 HG2 GLU 38 4.494 -7.411 13.354 291 HG3 GLU 38 HG3 GLU 38 3.527 -6.071 13.999 292 H GLN 39 H GLN 39 2.211 -6.716 9.148 293 HA GLN 39 HA GLN 39 5.148 -6.464 8.690 294 HB2 GLN 39 HB2 GLN 39 3.163 -8.444 7.848 295 HB3 GLN 39 HB3 GLN 39 3.855 -7.684 6.454 296 HG2 GLN 39 HG2 GLN 39 5.180 -9.431 8.512 297 HG3 GLN 39 HG3 GLN 39 5.150 -9.581 6.774 298 HE21 GLN 39 HE21 GLN 39 7.046 -8.397 9.423 299 HE22 GLN 39 HE22 GLN 39 8.172 -7.465 8.463 300 H GLY 40 H GLY 40 2.704 -4.443 8.766 301 HA2 GLY 40 HA2 GLY 40 2.379 -2.418 7.728 302 HA3 GLY 40 HA3 GLY 40 3.707 -2.782 6.609 303 H TRP 41 H TRP 41 0.936 -5.007 7.104 304 HA TRP 41 HA TRP 41 0.402 -4.812 4.196 305 HB2 TRP 41 HB2 TRP 41 -0.613 -6.634 6.402 306 HB3 TRP 41 HB3 TRP 41 -1.448 -6.496 4.949 307 HD1 TRP 41 HD1 TRP 41 0.956 -8.880 6.129 308 HE1 TRP 41 HE1 TRP 41 1.973 -10.098 4.221 309 HE3 TRP 41 HE3 TRP 41 -0.467 -5.755 2.379 310 HZ2 TRP 41 HZ2 TRP 41 2.117 -9.875 1.376 311 HZ3 TRP 41 HZ3 TRP 41 -0.054 -6.399 0.048 312 HH2 TRP 41 HH2 TRP 41 1.128 -8.426 -0.511 313 H CYS 42 H CYS 42 -1.315 -3.687 3.310 314 HA CYS 42 HA CYS 42 -3.480 -2.820 5.211 315 HB2 CYS 42 HB2 CYS 42 -1.893 -1.269 3.152 316 HB3 CYS 42 HB3 CYS 42 -3.573 -0.832 3.513 317 HG CYS 42 HG CYS 42 -1.901 0.755 4.828 318 H LYS 43 H LYS 43 -5.464 -3.497 4.531 319 HA LYS 43 HA LYS 43 -5.668 -4.684 1.833 320 HB2 LYS 43 HB2 LYS 43 -6.809 -5.330 4.309 321 HB3 LYS 43 HB3 LYS 43 -8.142 -4.567 3.443 322 HG2 LYS 43 HG2 LYS 43 -6.478 -6.693 2.057 323 HG3 LYS 43 HG3 LYS 43 -7.640 -7.152 3.294 324 HD2 LYS 43 HD2 LYS 43 -9.454 -5.995 2.027 325 HD3 LYS 43 HD3 LYS 43 -8.294 -5.628 0.727 326 HE2 LYS 43 HE2 LYS 43 -7.782 -8.013 0.465 327 HE3 LYS 43 HE3 LYS 43 -8.734 -8.419 1.875 328 HZ1 LYS 43 HZ1 LYS 43 -9.867 -8.910 -0.171 329 HZ2 LYS 43 HZ2 LYS 43 -9.954 -7.318 -0.576 330 HZ3 LYS 43 HZ3 LYS 43 -10.726 -7.909 0.771 331 H GLY 44 H GLY 44 -6.672 -3.600 0.103 332 HA2 GLY 44 HA2 GLY 44 -8.206 -1.163 0.723 333 HA3 GLY 44 HA3 GLY 44 -6.755 -0.922 -0.187 334 H ARG 45 H ARG 45 -8.420 -0.052 -1.659 335 HA ARG 45 HA ARG 45 -9.450 -2.089 -3.481 336 HB2 ARG 45 HB2 ARG 45 -11.213 -1.185 -1.835 337 HB3 ARG 45 HB3 ARG 45 -11.110 0.343 -2.691 338 HG2 ARG 45 HG2 ARG 45 -11.504 -2.101 -4.392 339 HG3 ARG 45 HG3 ARG 45 -12.795 -1.789 -3.249 340 HD2 ARG 45 HD2 ARG 45 -11.822 0.141 -5.372 341 HD3 ARG 45 HD3 ARG 45 -13.260 -0.869 -5.458 342 HE ARG 45 HE ARG 45 -12.940 1.622 -4.031 343 HH11 ARG 45 HH11 ARG 45 -14.941 -1.356 -4.249 344 HH12 ARG 45 HH12 ARG 45 -16.331 -0.547 -3.602 345 HH21 ARG 45 HH21 ARG 45 -14.817 2.585 -3.193 346 HH22 ARG 45 HH22 ARG 45 -16.209 1.625 -2.812 347 H LEU 46 H LEU 46 -8.622 -1.712 -5.391 348 HA LEU 46 HA LEU 46 -6.984 0.580 -6.056 349 HB2 LEU 46 HB2 LEU 46 -7.793 -2.050 -7.211 350 HB3 LEU 46 HB3 LEU 46 -7.653 -0.797 -8.417 351 HG LEU 46 HG LEU 46 -5.316 -0.382 -7.822 352 HD11 LEU 46 HD11 LEU 46 -5.230 -0.746 -5.485 353 HD12 LEU 46 HD12 LEU 46 -4.219 -2.003 -6.247 354 HD13 LEU 46 HD13 LEU 46 -5.864 -2.392 -5.669 355 HD21 LEU 46 HD21 LEU 46 -5.890 -2.162 -9.449 356 HD22 LEU 46 HD22 LEU 46 -5.911 -3.359 -8.136 357 HD23 LEU 46 HD23 LEU 46 -4.414 -2.515 -8.572 358 H LEU 47 H LEU 47 -7.389 1.915 -8.083 359 HA LEU 47 HA LEU 47 -9.978 3.173 -7.924 360 HB2 LEU 47 HB2 LEU 47 -9.245 4.497 -9.870 361 HB3 LEU 47 HB3 LEU 47 -8.139 4.564 -8.519 362 HG LEU 47 HG LEU 47 -7.471 2.386 -10.391 363 HD11 LEU 47 HD11 LEU 47 -7.436 5.215 -11.469 364 HD12 LEU 47 HD12 LEU 47 -8.344 3.799 -12.094 365 HD13 LEU 47 HD13 LEU 47 -6.579 3.826 -12.192 366 HD21 LEU 47 HD21 LEU 47 -5.225 3.317 -10.186 367 HD22 LEU 47 HD22 LEU 47 -5.989 3.166 -8.600 368 HD23 LEU 47 HD23 LEU 47 -5.887 4.755 -9.370 369 H THR 48 H THR 48 -8.882 0.401 -9.668 370 HA THR 48 HA THR 48 -10.998 0.611 -11.703 371 HB THR 48 HB THR 48 -8.839 -0.142 -12.456 372 HG1 THR 48 HG1 THR 48 -10.746 -1.150 -13.275 373 HG21 THR 48 HG21 THR 48 -9.048 -2.430 -10.453 374 HG22 THR 48 HG22 THR 48 -7.815 -1.141 -10.515 375 HG23 THR 48 HG23 THR 48 -7.894 -2.332 -11.797 376 H GLY 49 H GLY 49 -10.785 -0.392 -8.461 377 HA2 GLY 49 HA2 GLY 49 -12.808 -1.030 -7.384 378 HA3 GLY 49 HA3 GLY 49 -13.257 -2.011 -8.757 379 H HIS 50 H HIS 50 -10.187 -2.919 -8.658 380 HA HIS 50 HA HIS 50 -10.595 -5.475 -7.637 381 HB2 HIS 50 HB2 HIS 50 -8.315 -3.747 -8.521 382 HB3 HIS 50 HB3 HIS 50 -7.872 -5.000 -7.391 383 HD1 HIS 50 HD1 HIS 50 -9.989 -5.142 -10.760 384 HD2 HIS 50 HD2 HIS 50 -6.728 -6.754 -8.608 385 HE1 HIS 50 HE1 HIS 50 -8.971 -6.877 -12.234 386 H VAL 51 H VAL 51 -10.095 -6.466 -5.630 387 HA VAL 51 HA VAL 51 -9.195 -4.649 -3.456 388 HB VAL 51 HB VAL 51 -10.657 -5.994 -1.906 389 HG11 VAL 51 HG11 VAL 51 -12.127 -4.430 -4.056 390 HG12 VAL 51 HG12 VAL 51 -12.725 -4.795 -2.428 391 HG13 VAL 51 HG13 VAL 51 -11.302 -3.764 -2.620 392 HG21 VAL 51 HG21 VAL 51 -11.082 -7.988 -3.349 393 HG22 VAL 51 HG22 VAL 51 -12.564 -7.235 -2.775 394 HG23 VAL 51 HG23 VAL 51 -12.041 -6.972 -4.441 395 H GLY 52 H GLY 52 -7.723 -5.539 -1.869 396 HA2 GLY 52 HA2 GLY 52 -7.179 -8.213 -1.357 397 HA3 GLY 52 HA3 GLY 52 -6.134 -7.736 -2.695 398 H LEU 53 H LEU 53 -4.559 -8.212 -0.763 399 HA LEU 53 HA LEU 53 -4.197 -5.985 1.156 400 HB2 LEU 53 HB2 LEU 53 -2.865 -8.667 0.604 401 HB3 LEU 53 HB3 LEU 53 -2.197 -7.531 1.749 402 HG LEU 53 HG LEU 53 -5.047 -8.459 2.047 403 HD11 LEU 53 HD11 LEU 53 -4.217 -10.208 3.533 404 HD12 LEU 53 HD12 LEU 53 -2.517 -9.735 3.229 405 HD13 LEU 53 HD13 LEU 53 -3.522 -10.431 1.937 406 HD21 LEU 53 HD21 LEU 53 -4.838 -7.825 4.326 407 HD22 LEU 53 HD22 LEU 53 -4.252 -6.459 3.371 408 HD23 LEU 53 HD23 LEU 53 -3.097 -7.548 4.160 409 H TYR 54 H TYR 54 -2.504 -4.436 0.884 410 HA TYR 54 HA TYR 54 -0.685 -4.776 -1.420 411 HB2 TYR 54 HB2 TYR 54 -0.916 -2.606 -2.127 412 HB3 TYR 54 HB3 TYR 54 -2.549 -3.099 -1.909 413 HD1 TYR 54 HD1 TYR 54 -3.938 -2.084 -0.129 414 HD2 TYR 54 HD2 TYR 54 0.204 -0.981 -0.594 415 HE1 TYR 54 HE1 TYR 54 -4.309 -0.098 1.303 416 HE2 TYR 54 HE2 TYR 54 -0.150 0.957 0.850 417 HH TYR 54 HH TYR 54 -1.610 2.010 2.374 418 HA PRO 55 HA PRO 55 1.990 -4.154 2.060 419 HB2 PRO 55 HB2 PRO 55 4.422 -3.833 0.916 420 HB3 PRO 55 HB3 PRO 55 3.534 -5.376 0.916 421 HG2 PRO 55 HG2 PRO 55 3.741 -3.366 -1.325 422 HG3 PRO 55 HG3 PRO 55 3.882 -5.147 -1.413 423 HD2 PRO 55 HD2 PRO 55 1.525 -3.834 -2.000 424 HD3 PRO 55 HD3 PRO 55 1.584 -5.456 -1.288 425 H ALA 56 H ALA 56 1.500 -2.323 3.162 426 HA ALA 56 HA ALA 56 1.304 0.279 2.082 427 HB1 ALA 56 HB1 ALA 56 0.937 1.004 4.327 428 HB2 ALA 56 HB2 ALA 56 0.238 -0.621 4.232 429 HB3 ALA 56 HB3 ALA 56 1.806 -0.372 5.013 430 H ASN 57 H ASN 57 4.016 -1.508 3.375 431 HA ASN 57 HA ASN 57 5.787 0.659 3.878 432 HB2 ASN 57 HB2 ASN 57 6.316 -2.223 3.034 433 HB3 ASN 57 HB3 ASN 57 7.532 -1.123 3.641 434 HD21 ASN 57 HD21 ASN 57 6.903 -3.658 4.797 435 HD22 ASN 57 HD22 ASN 57 6.279 -3.375 6.406 436 H TYR 58 H TYR 58 4.498 -0.348 0.850 437 HA TYR 58 HA TYR 58 6.840 0.626 -0.665 438 HB2 TYR 58 HB2 TYR 58 4.714 -1.396 -1.271 439 HB3 TYR 58 HB3 TYR 58 5.644 -0.641 -2.544 440 HD1 TYR 58 HD1 TYR 58 6.080 -2.505 0.671 441 HD2 TYR 58 HD2 TYR 58 7.734 -1.581 -3.196 442 HE1 TYR 58 HE1 TYR 58 7.986 -3.962 1.146 443 HE2 TYR 58 HE2 TYR 58 9.670 -2.995 -2.712 444 HH TYR 58 HH TYR 58 10.789 -4.329 -1.091 445 H VAL 59 H VAL 59 4.291 2.192 0.571 446 HA VAL 59 HA VAL 59 4.048 3.910 -1.831 447 HB VAL 59 HB VAL 59 1.674 4.042 -1.788 448 HG11 VAL 59 HG11 VAL 59 2.514 1.999 -2.950 449 HG12 VAL 59 HG12 VAL 59 2.216 1.066 -1.461 450 HG13 VAL 59 HG13 VAL 59 0.876 1.823 -2.327 451 HG21 VAL 59 HG21 VAL 59 0.260 2.752 -0.225 452 HG22 VAL 59 HG22 VAL 59 1.709 2.305 0.708 453 HG23 VAL 59 HG23 VAL 59 1.189 4.000 0.587 454 H GLU 60 H GLU 60 2.885 6.069 -1.233 455 HA GLU 60 HA GLU 60 3.131 6.721 1.622 456 HB2 GLU 60 HB2 GLU 60 5.351 7.139 0.678 457 HB3 GLU 60 HB3 GLU 60 4.663 8.222 -0.545 458 HG2 GLU 60 HG2 GLU 60 4.205 9.903 1.021 459 HG3 GLU 60 HG3 GLU 60 4.025 8.762 2.356 460 H LYS 61 H LYS 61 1.919 8.597 2.176 461 HA LYS 61 HA LYS 61 -0.493 8.883 0.697 462 HB2 LYS 61 HB2 LYS 61 -0.059 9.089 3.207 463 HB3 LYS 61 HB3 LYS 61 0.519 10.726 2.909 464 HG2 LYS 61 HG2 LYS 61 -1.666 11.468 2.277 465 HG3 LYS 61 HG3 LYS 61 -2.244 9.813 1.981 466 HD2 LYS 61 HD2 LYS 61 -2.077 9.278 4.357 467 HD3 LYS 61 HD3 LYS 61 -1.441 10.907 4.713 468 HE2 LYS 61 HE2 LYS 61 -3.644 11.836 3.887 469 HE3 LYS 61 HE3 LYS 61 -4.208 10.155 3.684 470 HZ1 LYS 61 HZ1 LYS 61 -3.579 9.894 6.103 471 HZ2 LYS 61 HZ2 LYS 61 -4.913 10.824 5.829 472 HZ3 LYS 61 HZ3 LYS 61 -3.443 11.495 6.192 473 H VAL 62 H VAL 62 -1.392 10.863 -0.193 474 HA VAL 62 HA VAL 62 0.532 12.886 -1.129 475 HB VAL 62 HB VAL 62 0.488 10.907 -2.666 476 HG11 VAL 62 HG11 VAL 62 -2.357 11.764 -3.307 477 HG12 VAL 62 HG12 VAL 62 -1.406 10.592 -4.202 478 HG13 VAL 62 HG13 VAL 62 -1.858 10.245 -2.530 479 HG21 VAL 62 HG21 VAL 62 -0.464 13.464 -3.965 480 HG22 VAL 62 HG22 VAL 62 1.207 13.105 -3.443 481 HG23 VAL 62 HG23 VAL 62 0.444 12.122 -4.715 482 H GLY 63 H GLY 63 -1.623 12.768 0.822 483 HA2 GLY 63 HA2 GLY 63 -3.931 14.229 -0.302 484 HA3 GLY 63 HA3 GLY 63 -3.756 13.641 1.340 485 H LEU 64 H LEU 64 -1.775 14.789 2.569 486 HA LEU 64 HA LEU 64 -1.892 17.720 2.063 487 HB2 LEU 64 HB2 LEU 64 -2.235 16.136 4.632 488 HB3 LEU 64 HB3 LEU 64 -2.025 17.887 4.585 489 HG LEU 64 HG LEU 64 -4.377 16.458 3.265 490 HD11 LEU 64 HD11 LEU 64 -4.186 17.733 6.023 491 HD12 LEU 64 HD12 LEU 64 -4.343 16.002 5.684 492 HD13 LEU 64 HD13 LEU 64 -5.663 17.104 5.259 493 HD21 LEU 64 HD21 LEU 64 -3.893 19.379 4.036 494 HD22 LEU 64 HD22 LEU 64 -5.364 18.717 3.308 495 HD23 LEU 64 HD23 LEU 64 -3.871 18.722 2.381 496 H ALA 65 H ALA 65 -0.187 18.884 2.935 497 HA ALA 65 HA ALA 65 2.346 17.411 3.318 498 HB1 ALA 65 HB1 ALA 65 2.370 19.405 1.853 499 HB2 ALA 65 HB2 ALA 65 1.714 20.408 3.174 500 HB3 ALA 65 HB3 ALA 65 3.336 19.692 3.310 501 H ALA 66 H ALA 66 1.422 16.378 5.174 502 HA ALA 66 HA ALA 66 1.531 17.951 7.685 503 HB1 ALA 66 HB1 ALA 66 -0.471 16.688 8.515 504 HB2 ALA 66 HB2 ALA 66 -0.860 17.814 7.211 505 HB3 ALA 66 HB3 ALA 66 -0.758 16.087 6.866 506 H ALA 67 H ALA 67 0.449 14.600 7.177 507 HA ALA 67 HA ALA 67 2.913 13.247 7.610 508 HB1 ALA 67 HB1 ALA 67 2.424 14.042 9.931 509 HB2 ALA 67 HB2 ALA 67 0.774 13.394 9.801 510 HB3 ALA 67 HB3 ALA 67 2.177 12.293 9.802 511 H1 THR 101 H THR 101 -1.641 -12.185 11.052 512 HA THR 101 HA THR 101 -0.802 -10.537 9.404 513 HB THR 101 HB THR 101 1.636 -12.343 9.462 514 HG1 THR 101 HG1 THR 101 2.602 -10.439 10.360 515 HG21 THR 101 HG21 THR 101 2.594 -10.844 7.869 516 HG22 THR 101 HG22 THR 101 1.314 -9.646 8.143 517 HG23 THR 101 HG23 THR 101 0.948 -11.103 7.254 518 H LYS 102 H LYS 102 -1.488 -10.892 7.376 519 HA LYS 102 HA LYS 102 -2.822 -13.402 6.760 520 HB2 LYS 102 HB2 LYS 102 -2.429 -10.792 5.232 521 HB3 LYS 102 HB3 LYS 102 -3.388 -12.133 4.644 522 HG2 LYS 102 HG2 LYS 102 -5.062 -10.952 5.444 523 HG3 LYS 102 HG3 LYS 102 -4.727 -11.857 6.902 524 HD2 LYS 102 HD2 LYS 102 -3.696 -9.913 7.919 525 HD3 LYS 102 HD3 LYS 102 -3.581 -9.082 6.340 526 HE2 LYS 102 HE2 LYS 102 -6.031 -9.014 6.171 527 HE3 LYS 102 HE3 LYS 102 -6.184 -9.818 7.736 528 HZ1 LYS 102 HZ1 LYS 102 -4.825 -7.180 7.448 529 HZ2 LYS 102 HZ2 LYS 102 -5.406 -7.924 8.820 530 HZ3 LYS 102 HZ3 LYS 102 -6.421 -7.353 7.675 531 H GLY 103 H GLY 103 0.428 -12.530 6.290 532 HA2 GLY 103 HA2 GLY 103 1.417 -14.610 4.980 533 HA3 GLY 103 HA3 GLY 103 0.878 -13.575 3.640 534 HA PRO 104 HA PRO 104 4.780 -11.726 5.809 535 HB2 PRO 104 HB2 PRO 104 6.855 -12.677 4.269 536 HB3 PRO 104 HB3 PRO 104 6.244 -13.528 5.720 537 HG2 PRO 104 HG2 PRO 104 5.561 -14.062 2.813 538 HG3 PRO 104 HG3 PRO 104 6.025 -15.256 4.062 539 HD2 PRO 104 HD2 PRO 104 3.422 -14.782 3.415 540 HD3 PRO 104 HD3 PRO 104 3.906 -15.118 5.098 541 H ALA 105 H ALA 105 4.922 -9.628 4.967 542 HA ALA 105 HA ALA 105 4.224 -9.039 2.207 543 HB1 ALA 105 HB1 ALA 105 3.632 -7.550 4.196 544 HB2 ALA 105 HB2 ALA 105 5.361 -7.214 4.383 545 HB3 ALA 105 HB3 ALA 105 4.499 -6.700 2.930 546 HA PRO 106 HA PRO 106 8.408 -8.983 0.673 547 HB2 PRO 106 HB2 PRO 106 8.434 -6.261 -0.417 548 HB3 PRO 106 HB3 PRO 106 8.375 -7.790 -1.287 549 HG2 PRO 106 HG2 PRO 106 6.238 -6.001 -1.142 550 HG3 PRO 106 HG3 PRO 106 6.045 -7.781 -1.363 551 HD2 PRO 106 HD2 PRO 106 5.834 -6.161 1.163 552 HD3 PRO 106 HD3 PRO 106 4.782 -7.484 0.599 553 H ASN 107 H ASN 107 9.952 -8.863 2.291 554 HA ASN 107 HA ASN 107 10.536 -6.232 3.507 555 HB2 ASN 107 HB2 ASN 107 10.377 -6.956 5.758 556 HB3 ASN 107 HB3 ASN 107 8.892 -7.444 4.962 557 HD21 ASN 107 HD21 ASN 107 11.098 -8.610 7.262 558 HD22 ASN 107 HD22 ASN 107 10.970 -10.287 6.830 559 HA PRO 108 HA PRO 108 12.166 -5.602 5.378 560 HB2 PRO 108 HB2 PRO 108 14.551 -4.244 5.011 561 HB3 PRO 108 HB3 PRO 108 14.296 -5.584 6.167 562 HG2 PRO 108 HG2 PRO 108 15.494 -5.693 3.406 563 HG3 PRO 108 HG3 PRO 108 16.110 -6.443 4.915 564 HD2 PRO 108 HD2 PRO 108 14.668 -7.805 3.064 565 HD3 PRO 108 HD3 PRO 108 14.528 -8.163 4.804 566 HA PRO 109 HA PRO 109 10.677 -2.700 2.467 567 HB2 PRO 109 HB2 PRO 109 11.417 -0.163 3.379 568 HB3 PRO 109 HB3 PRO 109 10.138 -1.196 4.078 569 HG2 PRO 109 HG2 PRO 109 13.019 -0.923 4.952 570 HG3 PRO 109 HG3 PRO 109 11.537 -0.841 5.962 571 HD2 PRO 109 HD2 PRO 109 12.946 -3.110 5.800 572 HD3 PRO 109 HD3 PRO 109 11.165 -3.178 5.749 573 HA PRO 110 HA PRO 110 13.566 -1.457 -0.656 574 HB2 PRO 110 HB2 PRO 110 12.110 0.154 -2.246 575 HB3 PRO 110 HB3 PRO 110 11.524 -1.486 -1.867 576 HG2 PRO 110 HG2 PRO 110 10.780 1.109 -0.471 577 HG3 PRO 110 HG3 PRO 110 9.665 -0.104 -1.177 578 HD2 PRO 110 HD2 PRO 110 10.403 -0.035 1.468 579 HD3 PRO 110 HD3 PRO 110 9.999 -1.559 0.628 580 H ILE 111 H ILE 111 13.740 1.137 -1.902 581 HA ILE 111 HA ILE 111 15.403 2.535 0.045 582 HB ILE 111 HB ILE 111 15.889 4.060 -1.776 583 HG12 ILE 111 HG12 ILE 111 13.652 3.791 -2.993 584 HG13 ILE 111 HG13 ILE 111 15.114 4.061 -3.908 585 HG21 ILE 111 HG21 ILE 111 17.302 2.142 -1.468 586 HG22 ILE 111 HG22 ILE 111 16.242 1.109 -2.447 587 HG23 ILE 111 HG23 ILE 111 17.123 2.452 -3.199 588 HD11 ILE 111 HD11 ILE 111 13.607 2.456 -4.974 589 HD12 ILE 111 HD12 ILE 111 15.183 1.744 -4.620 590 HD13 ILE 111 HD13 ILE 111 13.768 1.345 -3.610 591 H LEU 112 H LEU 112 15.011 5.095 0.070 592 HA LEU 112 HA LEU 112 13.797 6.807 0.903 593 HB2 LEU 112 HB2 LEU 112 11.415 5.649 -0.599 594 HB3 LEU 112 HB3 LEU 112 11.408 7.122 0.326 595 HG LEU 112 HG LEU 112 11.531 7.761 -1.883 596 HD11 LEU 112 HD11 LEU 112 14.402 8.000 -0.902 597 HD12 LEU 112 HD12 LEU 112 13.044 9.014 -0.352 598 HD13 LEU 112 HD13 LEU 112 13.548 9.039 -2.048 599 HD21 LEU 112 HD21 LEU 112 12.278 5.657 -2.911 600 HD22 LEU 112 HD22 LEU 112 13.946 5.984 -2.347 601 HD23 LEU 112 HD23 LEU 112 13.174 7.044 -3.518 602 H LYS 113 H LYS 113 14.245 6.037 2.946 603 HA LYS 113 HA LYS 113 11.975 4.698 4.372 604 HB2 LYS 113 HB2 LYS 113 14.967 4.507 4.864 605 HB3 LYS 113 HB3 LYS 113 13.730 3.854 5.935 606 HG2 LYS 113 HG2 LYS 113 12.836 2.499 3.963 607 HG3 LYS 113 HG3 LYS 113 14.233 3.036 3.030 608 HD2 LYS 113 HD2 LYS 113 14.285 1.360 5.573 609 HD3 LYS 113 HD3 LYS 113 14.581 0.803 3.914 610 HE2 LYS 113 HE2 LYS 113 16.459 2.539 3.798 611 HE3 LYS 113 HE3 LYS 113 16.245 2.754 5.550 612 HZ1 LYS 113 HZ1 LYS 113 17.121 0.337 4.122 613 HZ2 LYS 113 HZ2 LYS 113 16.616 0.270 5.667 614 HZ3 LYS 113 HZ3 LYS 113 17.940 1.197 5.245 615 H VAL 114 H VAL 114 14.607 7.067 4.702 616 HA VAL 114 HA VAL 114 12.849 8.608 6.538 617 HB VAL 114 HB VAL 114 14.727 9.229 7.913 618 HG11 VAL 114 HG11 VAL 114 14.484 6.191 7.800 619 HG12 VAL 114 HG12 VAL 114 14.934 7.190 9.197 620 HG13 VAL 114 HG13 VAL 114 13.303 7.296 8.536 621 HG21 VAL 114 HG21 VAL 114 16.848 7.870 7.904 622 HG22 VAL 114 HG22 VAL 114 16.395 7.218 6.313 623 HG23 VAL 114 HG23 VAL 114 16.711 8.960 6.547 624 H TRP 115 H TRP 115 15.937 8.791 4.700 625 HA TRP 115 HA TRP 115 15.343 11.465 3.687 626 HB2 TRP 115 HB2 TRP 115 17.458 9.335 3.101 627 HB3 TRP 115 HB3 TRP 115 17.313 10.802 2.146 628 HD1 TRP 115 HD1 TRP 115 19.653 9.640 4.284 629 HE1 TRP 115 HE1 TRP 115 20.913 11.562 5.495 630 HE3 TRP 115 HE3 TRP 115 16.290 13.448 3.597 631 HZ2 TRP 115 HZ2 TRP 115 20.509 14.283 6.095 632 HZ3 TRP 115 HZ3 TRP 115 16.851 15.728 4.327 633 HH2 TRP 115 HH2 TRP 115 19.003 16.179 5.499 Start of MODEL 6 1 H1 MET 1 H MET 1 -17.492 8.529 4.547 2 HA MET 1 HA MET 1 -19.661 9.062 5.510 3 HB2 MET 1 HB2 MET 1 -21.411 7.433 5.671 4 HB3 MET 1 HB3 MET 1 -21.035 7.783 3.986 5 HG2 MET 1 HG2 MET 1 -19.786 5.672 3.802 6 HG3 MET 1 HG3 MET 1 -20.100 5.308 5.503 7 HE1 MET 1 HE1 MET 1 -20.665 3.025 3.873 8 HE2 MET 1 HE2 MET 1 -22.193 2.897 2.968 9 HE3 MET 1 HE3 MET 1 -20.869 3.913 2.354 10 H LYS 2 H LYS 2 -17.577 6.129 5.845 11 HA LYS 2 HA LYS 2 -17.515 6.690 8.751 12 HB2 LYS 2 HB2 LYS 2 -19.202 4.881 8.311 13 HB3 LYS 2 HB3 LYS 2 -17.949 3.899 7.573 14 HG2 LYS 2 HG2 LYS 2 -16.637 4.097 9.742 15 HG3 LYS 2 HG3 LYS 2 -18.015 4.927 10.452 16 HD2 LYS 2 HD2 LYS 2 -18.109 2.128 9.231 17 HD3 LYS 2 HD3 LYS 2 -17.820 2.447 10.930 18 HE2 LYS 2 HE2 LYS 2 -20.328 3.289 9.429 19 HE3 LYS 2 HE3 LYS 2 -20.178 1.821 10.391 20 HZ1 LYS 2 HZ1 LYS 2 -19.755 3.231 12.331 21 HZ2 LYS 2 HZ2 LYS 2 -21.226 3.559 11.653 22 HZ3 LYS 2 HZ3 LYS 2 -19.986 4.586 11.434 23 H VAL 3 H VAL 3 -16.275 4.183 6.489 24 HA VAL 3 HA VAL 3 -13.501 4.979 7.204 25 HB VAL 3 HB VAL 3 -14.526 2.251 6.329 26 HG11 VAL 3 HG11 VAL 3 -11.800 3.107 7.408 27 HG12 VAL 3 HG12 VAL 3 -12.277 1.484 6.877 28 HG13 VAL 3 HG13 VAL 3 -12.148 2.782 5.696 29 HG21 VAL 3 HG21 VAL 3 -13.909 1.572 8.675 30 HG22 VAL 3 HG22 VAL 3 -13.778 3.290 9.097 31 HG23 VAL 3 HG23 VAL 3 -15.333 2.592 8.572 32 HA PRO 4 HA PRO 4 -14.362 5.939 2.769 33 HB2 PRO 4 HB2 PRO 4 -12.952 8.228 2.498 34 HB3 PRO 4 HB3 PRO 4 -14.514 8.222 3.372 35 HG2 PRO 4 HG2 PRO 4 -11.716 8.020 4.558 36 HG3 PRO 4 HG3 PRO 4 -13.036 9.135 5.021 37 HD2 PRO 4 HD2 PRO 4 -12.566 6.782 6.342 38 HD3 PRO 4 HD3 PRO 4 -14.215 7.456 6.136 39 H GLY 5 H GLY 5 -12.453 6.350 0.954 40 HA2 GLY 5 HA2 GLY 5 -10.476 4.304 1.364 41 HA3 GLY 5 HA3 GLY 5 -10.592 5.540 0.070 42 H VAL 6 H VAL 6 -8.315 4.683 2.235 43 HA VAL 6 HA VAL 6 -7.890 7.493 3.230 44 HB VAL 6 HB VAL 6 -6.202 5.113 4.010 45 HG11 VAL 6 HG11 VAL 6 -5.634 6.536 5.914 46 HG12 VAL 6 HG12 VAL 6 -5.254 7.352 4.395 47 HG13 VAL 6 HG13 VAL 6 -6.709 7.815 5.311 48 HG21 VAL 6 HG21 VAL 6 -8.477 4.523 4.711 49 HG22 VAL 6 HG22 VAL 6 -7.581 5.083 6.129 50 HG23 VAL 6 HG23 VAL 6 -8.743 6.162 5.335 51 H ARG 7 H ARG 7 -6.820 8.695 1.940 52 HA ARG 7 HA ARG 7 -5.669 7.836 -0.519 53 HB2 ARG 7 HB2 ARG 7 -5.054 10.186 -0.789 54 HB3 ARG 7 HB3 ARG 7 -6.725 9.953 -0.323 55 HG2 ARG 7 HG2 ARG 7 -5.514 10.369 2.147 56 HG3 ARG 7 HG3 ARG 7 -4.457 11.301 1.090 57 HD2 ARG 7 HD2 ARG 7 -7.281 11.763 0.455 58 HD3 ARG 7 HD3 ARG 7 -6.975 11.958 2.181 59 HE ARG 7 HE ARG 7 -6.083 13.961 1.760 60 HH11 ARG 7 HH11 ARG 7 -5.554 12.055 -1.242 61 HH12 ARG 7 HH12 ARG 7 -4.730 13.312 -2.050 62 HH21 ARG 7 HH21 ARG 7 -5.171 15.676 0.588 63 HH22 ARG 7 HH22 ARG 7 -4.725 15.505 -1.087 64 H VAL 8 H VAL 8 -3.889 6.947 -0.828 65 HA VAL 8 HA VAL 8 -1.469 7.859 0.639 66 HB VAL 8 HB VAL 8 -0.670 5.556 0.973 67 HG11 VAL 8 HG11 VAL 8 -1.780 6.751 2.840 68 HG12 VAL 8 HG12 VAL 8 -3.336 6.041 2.370 69 HG13 VAL 8 HG13 VAL 8 -2.012 5.005 2.935 70 HG21 VAL 8 HG21 VAL 8 -2.096 4.418 -0.712 71 HG22 VAL 8 HG22 VAL 8 -2.145 3.637 0.885 72 HG23 VAL 8 HG23 VAL 8 -3.503 4.651 0.357 73 H ARG 9 H ARG 9 0.553 7.193 -0.414 74 HA ARG 9 HA ARG 9 0.329 6.703 -3.320 75 HB2 ARG 9 HB2 ARG 9 0.524 9.222 -2.765 76 HB3 ARG 9 HB3 ARG 9 2.128 8.847 -2.117 77 HG2 ARG 9 HG2 ARG 9 2.658 7.810 -4.420 78 HG3 ARG 9 HG3 ARG 9 1.099 8.452 -4.955 79 HD2 ARG 9 HD2 ARG 9 2.639 10.072 -5.643 80 HD3 ARG 9 HD3 ARG 9 1.950 10.751 -4.172 81 HE ARG 9 HE ARG 9 3.959 10.025 -2.946 82 HH11 ARG 9 HH11 ARG 9 4.384 10.351 -6.506 83 HH12 ARG 9 HH12 ARG 9 6.103 10.436 -6.358 84 HH21 ARG 9 HH21 ARG 9 6.079 10.218 -2.802 85 HH22 ARG 9 HH22 ARG 9 7.124 10.461 -4.163 86 H ALA 10 H ALA 10 2.005 5.371 -3.992 87 HA ALA 10 HA ALA 10 3.498 4.068 -1.815 88 HB1 ALA 10 HB1 ALA 10 3.671 3.560 -4.790 89 HB2 ALA 10 HB2 ALA 10 4.398 2.584 -3.512 90 HB3 ALA 10 HB3 ALA 10 2.629 2.681 -3.621 91 H LEU 11 H LEU 11 5.567 4.201 -1.341 92 HA LEU 11 HA LEU 11 7.087 6.471 -2.429 93 HB2 LEU 11 HB2 LEU 11 7.741 4.398 -0.292 94 HB3 LEU 11 HB3 LEU 11 8.687 5.849 -0.642 95 HG LEU 11 HG LEU 11 5.818 5.811 0.424 96 HD11 LEU 11 HD11 LEU 11 6.895 6.638 2.515 97 HD12 LEU 11 HD12 LEU 11 8.480 6.368 1.760 98 HD13 LEU 11 HD13 LEU 11 7.399 4.994 2.077 99 HD21 LEU 11 HD21 LEU 11 7.731 8.152 0.005 100 HD22 LEU 11 HD22 LEU 11 6.158 8.231 0.822 101 HD23 LEU 11 HD23 LEU 11 6.229 7.852 -0.895 102 H TYR 12 H TYR 12 7.037 2.906 -2.710 103 HA TYR 12 HA TYR 12 9.248 3.125 -4.664 104 HB2 TYR 12 HB2 TYR 12 9.093 0.821 -2.721 105 HB3 TYR 12 HB3 TYR 12 10.440 1.329 -3.710 106 HD1 TYR 12 HD1 TYR 12 8.773 1.626 -0.505 107 HD2 TYR 12 HD2 TYR 12 11.702 3.558 -3.034 108 HE1 TYR 12 HE1 TYR 12 9.597 2.889 1.425 109 HE2 TYR 12 HE2 TYR 12 12.461 4.889 -1.120 110 HH TYR 12 HH TYR 12 11.035 4.547 2.155 111 H ASP 13 H ASP 13 9.393 1.226 -6.090 112 HA ASP 13 HA ASP 13 6.747 0.316 -7.003 113 HB2 ASP 13 HB2 ASP 13 8.262 1.139 -8.658 114 HB3 ASP 13 HB3 ASP 13 9.573 0.108 -8.098 115 H TYR 14 H TYR 14 5.922 -1.477 -5.959 116 HA TYR 14 HA TYR 14 7.522 -3.945 -5.878 117 HB2 TYR 14 HB2 TYR 14 6.502 -2.371 -3.560 118 HB3 TYR 14 HB3 TYR 14 6.107 -4.042 -3.513 119 HD1 TYR 14 HD1 TYR 14 7.623 -5.773 -2.886 120 HD2 TYR 14 HD2 TYR 14 9.138 -1.853 -3.941 121 HE1 TYR 14 HE1 TYR 14 9.858 -6.437 -2.189 122 HE2 TYR 14 HE2 TYR 14 11.425 -2.574 -3.309 123 HH TYR 14 HH TYR 14 12.024 -5.824 -1.884 124 H THR 15 H THR 15 6.017 -5.888 -5.849 125 HA THR 15 HA THR 15 3.181 -5.161 -6.479 126 HB THR 15 HB THR 15 4.335 -5.298 -8.528 127 HG1 THR 15 HG1 THR 15 3.163 -7.836 -8.414 128 HG21 THR 15 HG21 THR 15 6.374 -6.510 -8.054 129 HG22 THR 15 HG22 THR 15 5.516 -7.236 -9.412 130 HG23 THR 15 HG23 THR 15 5.470 -8.021 -7.826 131 H GLY 16 H GLY 16 2.782 -5.734 -4.250 132 HA2 GLY 16 HA2 GLY 16 2.182 -7.148 -2.545 133 HA3 GLY 16 HA3 GLY 16 1.749 -8.284 -3.841 134 H GLN 17 H GLN 17 2.370 -10.054 -2.334 135 HA GLN 17 HA GLN 17 5.274 -10.547 -2.369 136 HB2 GLN 17 HB2 GLN 17 4.010 -9.937 -0.049 137 HB3 GLN 17 HB3 GLN 17 3.655 -11.642 -0.087 138 HG2 GLN 17 HG2 GLN 17 6.477 -10.504 -0.369 139 HG3 GLN 17 HG3 GLN 17 5.751 -10.912 1.176 140 HE21 GLN 17 HE21 GLN 17 7.786 -12.169 -1.239 141 HE22 GLN 17 HE22 GLN 17 7.489 -13.878 -0.881 142 H GLU 18 H GLU 18 1.931 -11.679 -2.628 143 HA GLU 18 HA GLU 18 2.873 -14.083 -4.049 144 HB2 GLU 18 HB2 GLU 18 1.926 -14.106 -1.407 145 HB3 GLU 18 HB3 GLU 18 0.462 -14.348 -2.353 146 HG2 GLU 18 HG2 GLU 18 1.110 -16.512 -2.141 147 HG3 GLU 18 HG3 GLU 18 1.925 -16.145 -3.638 148 H ALA 19 H ALA 19 0.650 -15.123 -4.943 149 HA ALA 19 HA ALA 19 -0.300 -13.329 -6.916 150 HB1 ALA 19 HB1 ALA 19 -1.756 -15.216 -7.542 151 HB2 ALA 19 HB2 ALA 19 -0.084 -15.738 -7.268 152 HB3 ALA 19 HB3 ALA 19 -1.336 -16.056 -6.037 153 H ASP 20 H ASP 20 -1.882 -14.325 -3.850 154 HA ASP 20 HA ASP 20 -4.436 -13.166 -4.670 155 HB2 ASP 20 HB2 ASP 20 -3.579 -14.077 -1.917 156 HB3 ASP 20 HB3 ASP 20 -5.220 -13.697 -2.431 157 H GLU 21 H GLU 21 -1.931 -11.381 -4.333 158 HA GLU 21 HA GLU 21 -3.127 -9.356 -2.478 159 HB2 GLU 21 HB2 GLU 21 -0.257 -9.992 -3.129 160 HB3 GLU 21 HB3 GLU 21 -0.745 -8.506 -2.326 161 HG2 GLU 21 HG2 GLU 21 -1.038 -9.516 -0.340 162 HG3 GLU 21 HG3 GLU 21 -2.089 -10.744 -1.007 163 H LEU 22 H LEU 22 -2.316 -7.156 -3.071 164 HA LEU 22 HA LEU 22 -3.286 -6.481 -5.742 165 HB2 LEU 22 HB2 LEU 22 -3.818 -5.507 -3.294 166 HB3 LEU 22 HB3 LEU 22 -2.366 -4.568 -3.569 167 HG LEU 22 HG LEU 22 -3.402 -3.463 -5.443 168 HD11 LEU 22 HD11 LEU 22 -5.939 -3.945 -5.865 169 HD12 LEU 22 HD12 LEU 22 -5.590 -5.537 -5.156 170 HD13 LEU 22 HD13 LEU 22 -4.748 -5.018 -6.596 171 HD21 LEU 22 HD21 LEU 22 -5.353 -2.387 -4.247 172 HD22 LEU 22 HD22 LEU 22 -3.869 -2.503 -3.290 173 HD23 LEU 22 HD23 LEU 22 -5.208 -3.630 -3.008 174 H SER 23 H SER 23 -2.012 -4.499 -6.772 175 HA SER 23 HA SER 23 0.917 -4.678 -6.394 176 HB2 SER 23 HB2 SER 23 0.905 -4.829 -9.028 177 HB3 SER 23 HB3 SER 23 0.699 -6.301 -8.058 178 HG SER 23 HG SER 23 -1.217 -6.568 -8.705 179 H PHE 24 H PHE 24 1.792 -2.554 -6.535 180 HA PHE 24 HA PHE 24 0.179 -0.543 -8.017 181 HB2 PHE 24 HB2 PHE 24 0.360 1.002 -6.190 182 HB3 PHE 24 HB3 PHE 24 -0.556 -0.394 -5.741 183 HD1 PHE 24 HD1 PHE 24 3.044 0.800 -5.550 184 HD2 PHE 24 HD2 PHE 24 -0.184 -1.328 -3.637 185 HE1 PHE 24 HE1 PHE 24 4.529 0.244 -3.642 186 HE2 PHE 24 HE2 PHE 24 1.261 -1.699 -1.663 187 HZ PHE 24 HZ PHE 24 3.619 -0.978 -1.677 188 H LYS 25 H LYS 25 1.599 1.442 -8.500 189 HA LYS 25 HA LYS 25 4.433 0.538 -8.913 190 HB2 LYS 25 HB2 LYS 25 2.545 2.258 -10.533 191 HB3 LYS 25 HB3 LYS 25 4.275 2.499 -10.661 192 HG2 LYS 25 HG2 LYS 25 3.572 1.045 -12.409 193 HG3 LYS 25 HG3 LYS 25 4.612 0.162 -11.280 194 HD2 LYS 25 HD2 LYS 25 2.588 -0.903 -10.308 195 HD3 LYS 25 HD3 LYS 25 1.591 -0.110 -11.541 196 HE2 LYS 25 HE2 LYS 25 2.758 -1.291 -13.302 197 HE3 LYS 25 HE3 LYS 25 4.039 -1.805 -12.189 198 HZ1 LYS 25 HZ1 LYS 25 2.431 -3.192 -11.038 199 HZ2 LYS 25 HZ2 LYS 25 2.571 -3.597 -12.604 200 HZ3 LYS 25 HZ3 LYS 25 1.252 -2.751 -12.137 201 H ALA 26 H ALA 26 6.096 2.292 -8.953 202 HA ALA 26 HA ALA 26 6.051 3.666 -6.440 203 HB1 ALA 26 HB1 ALA 26 8.104 4.749 -7.202 204 HB2 ALA 26 HB2 ALA 26 8.176 3.024 -7.533 205 HB3 ALA 26 HB3 ALA 26 7.848 4.157 -8.866 206 H GLY 27 H GLY 27 4.971 5.527 -5.934 207 HA2 GLY 27 HA2 GLY 27 4.350 7.726 -6.177 208 HA3 GLY 27 HA3 GLY 27 4.744 7.691 -7.890 209 H GLU 28 H GLU 28 2.883 4.974 -7.694 210 HA GLU 28 HA GLU 28 0.531 6.343 -8.715 211 HB2 GLU 28 HB2 GLU 28 1.313 3.470 -8.218 212 HB3 GLU 28 HB3 GLU 28 -0.403 3.818 -8.220 213 HG2 GLU 28 HG2 GLU 28 1.487 4.550 -10.491 214 HG3 GLU 28 HG3 GLU 28 0.526 3.066 -10.388 215 H GLU 29 H GLU 29 -1.615 6.124 -7.760 216 HA GLU 29 HA GLU 29 -1.525 6.381 -4.768 217 HB2 GLU 29 HB2 GLU 29 -3.426 7.545 -6.846 218 HB3 GLU 29 HB3 GLU 29 -3.687 7.609 -5.097 219 HG2 GLU 29 HG2 GLU 29 -1.527 8.838 -4.839 220 HG3 GLU 29 HG3 GLU 29 -1.390 8.919 -6.598 221 H LEU 30 H LEU 30 -3.033 5.278 -3.533 222 HA LEU 30 HA LEU 30 -5.055 3.596 -4.793 223 HB2 LEU 30 HB2 LEU 30 -4.410 1.770 -3.106 224 HB3 LEU 30 HB3 LEU 30 -3.583 1.829 -4.682 225 HG LEU 30 HG LEU 30 -2.396 2.760 -2.038 226 HD11 LEU 30 HD11 LEU 30 -1.155 0.633 -2.109 227 HD12 LEU 30 HD12 LEU 30 -2.017 0.173 -3.597 228 HD13 LEU 30 HD13 LEU 30 -2.894 0.336 -2.064 229 HD21 LEU 30 HD21 LEU 30 -0.201 2.408 -3.311 230 HD22 LEU 30 HD22 LEU 30 -1.108 3.837 -3.757 231 HD23 LEU 30 HD23 LEU 30 -1.170 2.397 -4.793 232 H MET 31 H MET 31 -6.742 3.114 -3.253 233 HA MET 31 HA MET 31 -6.796 4.964 -0.914 234 HB2 MET 31 HB2 MET 31 -9.041 3.724 -2.579 235 HB3 MET 31 HB3 MET 31 -9.254 4.503 -1.033 236 HG2 MET 31 HG2 MET 31 -7.937 5.858 -3.368 237 HG3 MET 31 HG3 MET 31 -9.672 5.968 -3.045 238 HE1 MET 31 HE1 MET 31 -7.036 8.203 -3.088 239 HE2 MET 31 HE2 MET 31 -8.770 8.492 -3.404 240 HE3 MET 31 HE3 MET 31 -7.926 9.422 -2.144 241 H LYS 32 H LYS 32 -6.326 3.916 0.935 242 HA LYS 32 HA LYS 32 -6.412 1.040 1.115 243 HB2 LYS 32 HB2 LYS 32 -4.949 2.490 2.397 244 HB3 LYS 32 HB3 LYS 32 -6.352 3.189 3.244 245 HG2 LYS 32 HG2 LYS 32 -6.991 0.924 4.085 246 HG3 LYS 32 HG3 LYS 32 -5.496 0.280 3.392 247 HD2 LYS 32 HD2 LYS 32 -5.046 0.607 5.664 248 HD3 LYS 32 HD3 LYS 32 -4.268 2.004 4.898 249 HE2 LYS 32 HE2 LYS 32 -6.164 3.419 5.532 250 HE3 LYS 32 HE3 LYS 32 -7.090 2.006 6.048 251 HZ1 LYS 32 HZ1 LYS 32 -4.547 2.756 7.334 252 HZ2 LYS 32 HZ2 LYS 32 -5.640 1.649 7.832 253 HZ3 LYS 32 HZ3 LYS 32 -6.015 3.256 7.885 254 H ILE 33 H ILE 33 -8.045 -0.351 2.079 255 HA ILE 33 HA ILE 33 -10.457 1.082 2.891 256 HB ILE 33 HB ILE 33 -11.895 -0.329 1.770 257 HG12 ILE 33 HG12 ILE 33 -9.553 -2.050 0.873 258 HG13 ILE 33 HG13 ILE 33 -10.777 -2.480 2.055 259 HG21 ILE 33 HG21 ILE 33 -11.536 0.243 -0.527 260 HG22 ILE 33 HG22 ILE 33 -10.847 1.535 0.449 261 HG23 ILE 33 HG23 ILE 33 -9.783 0.342 -0.309 262 HD11 ILE 33 HD11 ILE 33 -12.524 -2.263 0.252 263 HD12 ILE 33 HD12 ILE 33 -11.192 -2.093 -0.922 264 HD13 ILE 33 HD13 ILE 33 -11.347 -3.573 0.043 265 H SER 34 H SER 34 -8.094 -0.907 4.099 266 HA SER 34 HA SER 34 -9.918 -1.897 6.212 267 HB2 SER 34 HB2 SER 34 -7.748 -3.466 4.776 268 HB3 SER 34 HB3 SER 34 -8.541 -3.982 6.264 269 HG SER 34 HG SER 34 -9.698 -4.942 4.806 270 H GLU 35 H GLU 35 -8.326 -2.858 8.028 271 HA GLU 35 HA GLU 35 -6.680 -0.563 8.851 272 HB2 GLU 35 HB2 GLU 35 -7.512 -3.137 10.273 273 HB3 GLU 35 HB3 GLU 35 -6.565 -1.813 10.995 274 HG2 GLU 35 HG2 GLU 35 -8.481 -0.252 10.295 275 HG3 GLU 35 HG3 GLU 35 -9.437 -1.713 10.005 276 H GLU 36 H GLU 36 -4.587 -1.150 10.026 277 HA GLU 36 HA GLU 36 -2.874 -2.638 8.171 278 HB2 GLU 36 HB2 GLU 36 -2.330 -0.322 9.020 279 HB3 GLU 36 HB3 GLU 36 -2.222 -1.011 10.642 280 HG2 GLU 36 HG2 GLU 36 -0.508 -2.704 9.496 281 HG3 GLU 36 HG3 GLU 36 -0.416 -1.456 8.248 282 H ASP 37 H ASP 37 -2.546 -4.716 8.483 283 HA ASP 37 HA ASP 37 -3.205 -6.036 11.021 284 HB2 ASP 37 HB2 ASP 37 -2.052 -7.012 8.404 285 HB3 ASP 37 HB3 ASP 37 -2.365 -8.076 9.766 286 H GLU 38 H GLU 38 -1.485 -7.547 11.970 287 HA GLU 38 HA GLU 38 0.673 -6.173 12.989 288 HB2 GLU 38 HB2 GLU 38 -0.551 -8.677 13.292 289 HB3 GLU 38 HB3 GLU 38 1.108 -9.094 12.892 290 HG2 GLU 38 HG2 GLU 38 1.943 -7.671 14.721 291 HG3 GLU 38 HG3 GLU 38 0.304 -7.095 15.050 292 H GLN 39 H GLN 39 0.658 -7.483 9.866 293 HA GLN 39 HA GLN 39 3.636 -7.620 9.723 294 HB2 GLN 39 HB2 GLN 39 1.777 -9.479 9.077 295 HB3 GLN 39 HB3 GLN 39 1.933 -8.691 7.516 296 HG2 GLN 39 HG2 GLN 39 3.328 -10.677 7.693 297 HG3 GLN 39 HG3 GLN 39 4.322 -9.254 7.510 298 HE21 GLN 39 HE21 GLN 39 5.798 -8.748 9.177 299 HE22 GLN 39 HE22 GLN 39 5.949 -9.591 10.692 300 H GLY 40 H GLY 40 1.288 -5.387 9.357 301 HA2 GLY 40 HA2 GLY 40 1.398 -3.289 8.444 302 HA3 GLY 40 HA3 GLY 40 2.847 -3.733 7.549 303 H TRP 41 H TRP 41 0.002 -5.801 7.425 304 HA TRP 41 HA TRP 41 -0.226 -5.390 4.526 305 HB2 TRP 41 HB2 TRP 41 -1.173 -7.389 6.579 306 HB3 TRP 41 HB3 TRP 41 -2.210 -7.143 5.200 307 HD1 TRP 41 HD1 TRP 41 -0.142 -9.606 6.181 308 HE1 TRP 41 HE1 TRP 41 1.115 -10.807 4.308 309 HE3 TRP 41 HE3 TRP 41 -0.824 -6.147 2.571 310 HZ2 TRP 41 HZ2 TRP 41 1.829 -10.221 1.505 311 HZ3 TRP 41 HZ3 TRP 41 0.054 -6.528 0.278 312 HH2 TRP 41 HH2 TRP 41 1.335 -8.454 -0.260 313 H CYS 42 H CYS 42 -2.037 -4.431 3.550 314 HA CYS 42 HA CYS 42 -4.295 -3.596 5.268 315 HB2 CYS 42 HB2 CYS 42 -2.440 -1.765 3.700 316 HB3 CYS 42 HB3 CYS 42 -4.152 -1.381 3.911 317 HG CYS 42 HG CYS 42 -3.903 -2.031 6.634 318 H LYS 43 H LYS 43 -6.157 -4.029 4.145 319 HA LYS 43 HA LYS 43 -5.878 -4.765 1.294 320 HB2 LYS 43 HB2 LYS 43 -7.752 -5.386 3.387 321 HB3 LYS 43 HB3 LYS 43 -8.657 -4.579 2.109 322 HG2 LYS 43 HG2 LYS 43 -6.714 -6.761 1.295 323 HG3 LYS 43 HG3 LYS 43 -8.135 -7.226 2.214 324 HD2 LYS 43 HD2 LYS 43 -9.638 -6.233 0.547 325 HD3 LYS 43 HD3 LYS 43 -8.231 -5.709 -0.418 326 HE2 LYS 43 HE2 LYS 43 -7.422 -8.095 -0.453 327 HE3 LYS 43 HE3 LYS 43 -8.798 -8.572 0.519 328 HZ1 LYS 43 HZ1 LYS 43 -10.253 -8.169 -1.253 329 HZ2 LYS 43 HZ2 LYS 43 -9.075 -9.161 -1.744 330 HZ3 LYS 43 HZ3 LYS 43 -9.043 -7.630 -2.283 331 H GLY 44 H GLY 44 -6.557 -3.409 -0.432 332 HA2 GLY 44 HA2 GLY 44 -7.902 -0.889 0.174 333 HA3 GLY 44 HA3 GLY 44 -6.256 -0.672 -0.327 334 H ARG 45 H ARG 45 -7.849 0.500 -1.952 335 HA ARG 45 HA ARG 45 -8.384 -1.303 -4.215 336 HB2 ARG 45 HB2 ARG 45 -10.409 -0.533 -2.898 337 HB3 ARG 45 HB3 ARG 45 -10.014 1.128 -3.313 338 HG2 ARG 45 HG2 ARG 45 -10.396 0.679 -5.690 339 HG3 ARG 45 HG3 ARG 45 -10.594 -1.035 -5.377 340 HD2 ARG 45 HD2 ARG 45 -12.449 0.037 -3.623 341 HD3 ARG 45 HD3 ARG 45 -12.467 1.243 -4.913 342 HE ARG 45 HE ARG 45 -12.722 -1.589 -5.730 343 HH11 ARG 45 HH11 ARG 45 -14.491 1.358 -4.851 344 HH12 ARG 45 HH12 ARG 45 -15.927 0.891 -5.703 345 HH21 ARG 45 HH21 ARG 45 -14.688 -2.313 -6.595 346 HH22 ARG 45 HH22 ARG 45 -16.121 -1.328 -6.531 347 H LEU 46 H LEU 46 -7.330 -0.801 -5.994 348 HA LEU 46 HA LEU 46 -5.733 1.634 -6.304 349 HB2 LEU 46 HB2 LEU 46 -6.317 -0.892 -7.901 350 HB3 LEU 46 HB3 LEU 46 -5.854 0.549 -8.799 351 HG LEU 46 HG LEU 46 -3.819 0.738 -7.310 352 HD11 LEU 46 HD11 LEU 46 -4.636 -2.031 -6.582 353 HD12 LEU 46 HD12 LEU 46 -4.448 -0.628 -5.482 354 HD13 LEU 46 HD13 LEU 46 -3.027 -1.316 -6.283 355 HD21 LEU 46 HD21 LEU 46 -3.816 -0.036 -9.669 356 HD22 LEU 46 HD22 LEU 46 -4.060 -1.701 -9.106 357 HD23 LEU 46 HD23 LEU 46 -2.577 -0.793 -8.693 358 H LEU 47 H LEU 47 -6.021 3.037 -8.339 359 HA LEU 47 HA LEU 47 -8.769 4.002 -8.455 360 HB2 LEU 47 HB2 LEU 47 -8.021 5.397 -10.406 361 HB3 LEU 47 HB3 LEU 47 -7.334 5.751 -8.850 362 HG LEU 47 HG LEU 47 -5.637 3.870 -10.320 363 HD11 LEU 47 HD11 LEU 47 -5.954 6.599 -11.644 364 HD12 LEU 47 HD12 LEU 47 -6.599 5.089 -12.310 365 HD13 LEU 47 HD13 LEU 47 -4.863 5.271 -12.109 366 HD21 LEU 47 HD21 LEU 47 -5.096 5.281 -8.331 367 HD22 LEU 47 HD22 LEU 47 -5.142 6.727 -9.357 368 HD23 LEU 47 HD23 LEU 47 -3.929 5.445 -9.644 369 H THR 48 H THR 48 -7.006 1.539 -10.132 370 HA THR 48 HA THR 48 -8.767 1.350 -12.432 371 HB THR 48 HB THR 48 -6.281 0.629 -12.045 372 HG1 THR 48 HG1 THR 48 -8.158 -0.825 -13.576 373 HG21 THR 48 HG21 THR 48 -6.857 -0.934 -10.123 374 HG22 THR 48 HG22 THR 48 -5.804 -1.580 -11.380 375 HG23 THR 48 HG23 THR 48 -7.528 -2.032 -11.334 376 H GLY 49 H GLY 49 -9.336 0.877 -9.179 377 HA2 GLY 49 HA2 GLY 49 -11.178 0.047 -8.118 378 HA3 GLY 49 HA3 GLY 49 -11.723 -0.676 -9.634 379 H HIS 50 H HIS 50 -8.503 -1.760 -9.008 380 HA HIS 50 HA HIS 50 -9.501 -4.413 -8.434 381 HB2 HIS 50 HB2 HIS 50 -7.298 -3.552 -9.662 382 HB3 HIS 50 HB3 HIS 50 -6.601 -3.578 -8.059 383 HD1 HIS 50 HD1 HIS 50 -8.927 -6.515 -8.327 384 HD2 HIS 50 HD2 HIS 50 -5.107 -5.398 -9.740 385 HE1 HIS 50 HE1 HIS 50 -7.896 -8.603 -9.245 386 H VAL 51 H VAL 51 -9.447 -5.525 -6.312 387 HA VAL 51 HA VAL 51 -8.679 -3.812 -4.020 388 HB VAL 51 HB VAL 51 -11.174 -5.496 -4.394 389 HG11 VAL 51 HG11 VAL 51 -10.467 -5.964 -2.136 390 HG12 VAL 51 HG12 VAL 51 -10.071 -4.256 -1.841 391 HG13 VAL 51 HG13 VAL 51 -11.762 -4.790 -2.045 392 HG21 VAL 51 HG21 VAL 51 -10.820 -2.592 -3.627 393 HG22 VAL 51 HG22 VAL 51 -11.264 -3.176 -5.248 394 HG23 VAL 51 HG23 VAL 51 -12.362 -3.431 -3.885 395 H GLY 52 H GLY 52 -6.934 -4.740 -3.066 396 HA2 GLY 52 HA2 GLY 52 -6.938 -7.626 -2.418 397 HA3 GLY 52 HA3 GLY 52 -5.685 -7.025 -3.481 398 H LEU 53 H LEU 53 -4.643 -8.036 -1.364 399 HA LEU 53 HA LEU 53 -4.335 -6.175 0.893 400 HB2 LEU 53 HB2 LEU 53 -3.255 -8.877 0.044 401 HB3 LEU 53 HB3 LEU 53 -2.403 -7.974 1.267 402 HG LEU 53 HG LEU 53 -5.306 -8.793 1.489 403 HD11 LEU 53 HD11 LEU 53 -4.482 -10.501 3.070 404 HD12 LEU 53 HD12 LEU 53 -2.805 -9.975 2.786 405 HD13 LEU 53 HD13 LEU 53 -3.739 -10.726 1.476 406 HD21 LEU 53 HD21 LEU 53 -3.362 -7.493 3.426 407 HD22 LEU 53 HD22 LEU 53 -4.876 -8.249 3.947 408 HD23 LEU 53 HD23 LEU 53 -4.922 -6.844 2.887 409 H TYR 54 H TYR 54 -2.588 -4.712 1.061 410 HA TYR 54 HA TYR 54 -0.464 -4.835 -0.936 411 HB2 TYR 54 HB2 TYR 54 -0.626 -2.650 -1.614 412 HB3 TYR 54 HB3 TYR 54 -2.264 -3.213 -1.686 413 HD1 TYR 54 HD1 TYR 54 -3.977 -2.253 -0.214 414 HD2 TYR 54 HD2 TYR 54 0.160 -1.097 0.174 415 HE1 TYR 54 HE1 TYR 54 -4.620 -0.473 1.392 416 HE2 TYR 54 HE2 TYR 54 -0.485 0.673 1.722 417 HH TYR 54 HH TYR 54 -2.137 1.500 3.087 418 HA PRO 55 HA PRO 55 1.612 -4.268 2.958 419 HB2 PRO 55 HB2 PRO 55 4.173 -3.829 2.211 420 HB3 PRO 55 HB3 PRO 55 3.322 -5.378 1.942 421 HG2 PRO 55 HG2 PRO 55 3.771 -3.161 -0.079 422 HG3 PRO 55 HG3 PRO 55 3.978 -4.940 -0.275 423 HD2 PRO 55 HD2 PRO 55 1.723 -3.636 -1.081 424 HD3 PRO 55 HD3 PRO 55 1.777 -5.324 -0.524 425 H ALA 56 H ALA 56 0.809 -2.515 3.976 426 HA ALA 56 HA ALA 56 0.847 0.156 3.111 427 HB1 ALA 56 HB1 ALA 56 -0.659 -0.727 4.834 428 HB2 ALA 56 HB2 ALA 56 0.705 -0.920 5.954 429 HB3 ALA 56 HB3 ALA 56 0.214 0.699 5.422 430 H ASN 57 H ASN 57 3.298 -1.663 4.785 431 HA ASN 57 HA ASN 57 4.818 0.458 5.846 432 HB2 ASN 57 HB2 ASN 57 6.199 -1.927 4.567 433 HB3 ASN 57 HB3 ASN 57 6.622 -1.033 6.016 434 HD21 ASN 57 HD21 ASN 57 5.125 -3.920 4.879 435 HD22 ASN 57 HD22 ASN 57 4.394 -4.365 6.402 436 H TYR 58 H TYR 58 4.522 -0.512 2.452 437 HA TYR 58 HA TYR 58 6.891 1.010 1.601 438 HB2 TYR 58 HB2 TYR 58 4.880 -0.760 0.170 439 HB3 TYR 58 HB3 TYR 58 6.170 0.101 -0.647 440 HD1 TYR 58 HD1 TYR 58 5.818 -2.333 2.239 441 HD2 TYR 58 HD2 TYR 58 8.051 -1.182 -1.285 442 HE1 TYR 58 HE1 TYR 58 7.373 -4.243 2.579 443 HE2 TYR 58 HE2 TYR 58 9.548 -3.044 -0.914 444 HH TYR 58 HH TYR 58 9.374 -5.406 1.699 445 H VAL 59 H VAL 59 3.764 2.017 2.401 446 HA VAL 59 HA VAL 59 3.902 4.181 0.392 447 HB VAL 59 HB VAL 59 1.675 3.988 -0.257 448 HG11 VAL 59 HG11 VAL 59 1.257 1.799 -1.129 449 HG12 VAL 59 HG12 VAL 59 3.007 2.019 -1.162 450 HG13 VAL 59 HG13 VAL 59 2.273 1.024 0.102 451 HG21 VAL 59 HG21 VAL 59 -0.035 2.585 0.778 452 HG22 VAL 59 HG22 VAL 59 1.134 2.139 2.069 453 HG23 VAL 59 HG23 VAL 59 0.568 3.802 1.895 454 H GLU 60 H GLU 60 2.550 6.090 1.072 455 HA GLU 60 HA GLU 60 1.948 6.205 3.954 456 HB2 GLU 60 HB2 GLU 60 4.188 7.740 2.575 457 HB3 GLU 60 HB3 GLU 60 3.277 8.474 3.890 458 HG2 GLU 60 HG2 GLU 60 3.793 6.294 5.229 459 HG3 GLU 60 HG3 GLU 60 5.068 6.049 4.024 460 H LYS 61 H LYS 61 0.928 8.250 4.506 461 HA LYS 61 HA LYS 61 -1.203 8.893 2.686 462 HB2 LYS 61 HB2 LYS 61 -0.254 9.884 5.383 463 HB3 LYS 61 HB3 LYS 61 -1.393 10.881 4.471 464 HG2 LYS 61 HG2 LYS 61 -2.966 9.085 4.251 465 HG3 LYS 61 HG3 LYS 61 -1.832 7.930 4.976 466 HD2 LYS 61 HD2 LYS 61 -3.395 8.451 6.682 467 HD3 LYS 61 HD3 LYS 61 -1.899 9.309 7.098 468 HE2 LYS 61 HE2 LYS 61 -2.955 11.354 5.939 469 HE3 LYS 61 HE3 LYS 61 -4.458 10.421 5.890 470 HZ1 LYS 61 HZ1 LYS 61 -3.001 11.417 8.244 471 HZ2 LYS 61 HZ2 LYS 61 -4.032 10.162 8.409 472 HZ3 LYS 61 HZ3 LYS 61 -4.585 11.617 7.859 473 H VAL 62 H VAL 62 -1.710 11.004 1.793 474 HA VAL 62 HA VAL 62 0.613 12.703 1.394 475 HB VAL 62 HB VAL 62 0.629 10.875 -0.341 476 HG11 VAL 62 HG11 VAL 62 -1.769 10.595 -0.727 477 HG12 VAL 62 HG12 VAL 62 -1.869 12.225 -1.426 478 HG13 VAL 62 HG13 VAL 62 -0.929 10.968 -2.238 479 HG21 VAL 62 HG21 VAL 62 1.218 12.251 -2.212 480 HG22 VAL 62 HG22 VAL 62 0.361 13.644 -1.531 481 HG23 VAL 62 HG23 VAL 62 1.804 12.987 -0.709 482 H GLY 63 H GLY 63 0.002 14.802 0.309 483 HA2 GLY 63 HA2 GLY 63 -1.824 16.224 -0.460 484 HA3 GLY 63 HA3 GLY 63 -2.838 15.554 0.811 485 H LEU 64 H LEU 64 -2.240 15.942 3.025 486 HA LEU 64 HA LEU 64 -1.851 18.721 3.532 487 HB2 LEU 64 HB2 LEU 64 -1.790 16.347 5.443 488 HB3 LEU 64 HB3 LEU 64 -1.883 18.034 5.939 489 HG LEU 64 HG LEU 64 -4.017 16.499 4.412 490 HD11 LEU 64 HD11 LEU 64 -5.342 16.925 6.506 491 HD12 LEU 64 HD12 LEU 64 -3.838 17.535 7.268 492 HD13 LEU 64 HD13 LEU 64 -3.967 15.860 6.716 493 HD21 LEU 64 HD21 LEU 64 -4.010 19.409 5.331 494 HD22 LEU 64 HD22 LEU 64 -5.447 18.515 4.777 495 HD23 LEU 64 HD23 LEU 64 -4.129 18.790 3.659 496 H ALA 65 H ALA 65 -0.360 19.580 5.161 497 HA ALA 65 HA ALA 65 2.434 18.598 4.851 498 HB1 ALA 65 HB1 ALA 65 1.375 21.457 4.988 499 HB2 ALA 65 HB2 ALA 65 3.088 21.001 5.009 500 HB3 ALA 65 HB3 ALA 65 2.112 20.665 3.573 501 H ALA 66 H ALA 66 3.803 19.547 6.721 502 HA ALA 66 HA ALA 66 4.350 19.461 8.868 503 HB1 ALA 66 HB1 ALA 66 3.140 21.654 8.803 504 HB2 ALA 66 HB2 ALA 66 1.724 20.822 9.496 505 HB3 ALA 66 HB3 ALA 66 3.235 20.902 10.400 506 H ALA 67 H ALA 67 2.758 17.135 7.781 507 HA ALA 67 HA ALA 67 2.096 15.839 10.356 508 HB1 ALA 67 HB1 ALA 67 -0.015 16.435 9.196 509 HB2 ALA 67 HB2 ALA 67 0.569 15.622 7.717 510 HB3 ALA 67 HB3 ALA 67 0.264 14.676 9.191 511 H1 THR 101 H THR 101 -1.140 -14.462 11.159 512 HA THR 101 HA THR 101 -1.461 -12.401 9.989 513 HB THR 101 HB THR 101 1.117 -13.061 8.528 514 HG1 THR 101 HG1 THR 101 2.036 -11.618 9.952 515 HG21 THR 101 HG21 THR 101 0.978 -10.903 7.605 516 HG22 THR 101 HG22 THR 101 -0.456 -10.467 8.592 517 HG23 THR 101 HG23 THR 101 -0.569 -11.663 7.284 518 H LYS 102 H LYS 102 -0.171 -15.372 8.442 519 HA LYS 102 HA LYS 102 -1.270 -16.975 7.292 520 HB2 LYS 102 HB2 LYS 102 -3.323 -14.963 6.303 521 HB3 LYS 102 HB3 LYS 102 -3.253 -16.667 5.902 522 HG2 LYS 102 HG2 LYS 102 -3.695 -17.356 8.180 523 HG3 LYS 102 HG3 LYS 102 -3.569 -15.699 8.760 524 HD2 LYS 102 HD2 LYS 102 -5.525 -15.169 7.100 525 HD3 LYS 102 HD3 LYS 102 -5.731 -16.922 7.034 526 HE2 LYS 102 HE2 LYS 102 -7.215 -16.189 8.728 527 HE3 LYS 102 HE3 LYS 102 -5.835 -16.879 9.599 528 HZ1 LYS 102 HZ1 LYS 102 -6.468 -14.758 10.550 529 HZ2 LYS 102 HZ2 LYS 102 -6.383 -14.019 9.100 530 HZ3 LYS 102 HZ3 LYS 102 -4.997 -14.565 9.829 531 H GLY 103 H GLY 103 -0.056 -13.944 6.264 532 HA2 GLY 103 HA2 GLY 103 1.155 -15.133 3.879 533 HA3 GLY 103 HA3 GLY 103 0.170 -13.674 3.683 534 HA PRO 104 HA PRO 104 4.024 -12.586 6.392 535 HB2 PRO 104 HB2 PRO 104 6.400 -13.467 5.416 536 HB3 PRO 104 HB3 PRO 104 5.384 -14.479 6.483 537 HG2 PRO 104 HG2 PRO 104 5.552 -14.573 3.455 538 HG3 PRO 104 HG3 PRO 104 5.620 -15.934 4.611 539 HD2 PRO 104 HD2 PRO 104 3.328 -15.143 3.297 540 HD3 PRO 104 HD3 PRO 104 3.284 -15.854 4.945 541 H ALA 105 H ALA 105 3.578 -10.569 5.689 542 HA ALA 105 HA ALA 105 3.668 -9.503 3.138 543 HB1 ALA 105 HB1 ALA 105 3.603 -7.334 4.260 544 HB2 ALA 105 HB2 ALA 105 2.774 -8.455 5.321 545 HB3 ALA 105 HB3 ALA 105 4.450 -7.984 5.665 546 HA PRO 106 HA PRO 106 7.990 -9.023 2.181 547 HB2 PRO 106 HB2 PRO 106 8.062 -6.901 0.494 548 HB3 PRO 106 HB3 PRO 106 7.160 -8.438 0.317 549 HG2 PRO 106 HG2 PRO 106 5.994 -5.837 1.286 550 HG3 PRO 106 HG3 PRO 106 5.468 -6.805 -0.144 551 HD2 PRO 106 HD2 PRO 106 4.385 -7.121 2.347 552 HD3 PRO 106 HD3 PRO 106 4.563 -8.467 1.224 553 H ASN 107 H ASN 107 6.835 -7.560 4.303 554 HA ASN 107 HA ASN 107 8.314 -5.141 5.044 555 HB2 ASN 107 HB2 ASN 107 7.229 -5.070 7.061 556 HB3 ASN 107 HB3 ASN 107 6.076 -6.032 6.141 557 HD21 ASN 107 HD21 ASN 107 8.086 -5.866 8.974 558 HD22 ASN 107 HD22 ASN 107 7.793 -7.500 9.518 559 HA PRO 108 HA PRO 108 9.367 -4.262 7.410 560 HB2 PRO 108 HB2 PRO 108 11.934 -3.236 7.576 561 HB3 PRO 108 HB3 PRO 108 11.180 -4.312 8.806 562 HG2 PRO 108 HG2 PRO 108 13.014 -5.103 6.526 563 HG3 PRO 108 HG3 PRO 108 13.160 -5.513 8.274 564 HD2 PRO 108 HD2 PRO 108 11.993 -7.245 6.569 565 HD3 PRO 108 HD3 PRO 108 11.227 -6.923 8.149 566 HA PRO 109 HA PRO 109 9.442 -1.959 3.651 567 HB2 PRO 109 HB2 PRO 109 9.623 0.671 4.374 568 HB3 PRO 109 HB3 PRO 109 8.220 -0.381 4.658 569 HG2 PRO 109 HG2 PRO 109 10.420 0.352 6.598 570 HG3 PRO 109 HG3 PRO 109 8.654 0.355 6.882 571 HD2 PRO 109 HD2 PRO 109 10.270 -1.728 7.629 572 HD3 PRO 109 HD3 PRO 109 8.587 -1.974 7.106 573 HA PRO 110 HA PRO 110 13.937 -1.265 2.962 574 HB2 PRO 110 HB2 PRO 110 14.024 -2.017 0.326 575 HB3 PRO 110 HB3 PRO 110 13.939 -3.260 1.635 576 HG2 PRO 110 HG2 PRO 110 11.752 -2.118 -0.127 577 HG3 PRO 110 HG3 PRO 110 12.024 -3.824 0.346 578 HD2 PRO 110 HD2 PRO 110 10.242 -2.118 1.613 579 HD3 PRO 110 HD3 PRO 110 11.024 -3.511 2.398 580 H ILE 111 H ILE 111 15.020 -0.167 1.003 581 HA ILE 111 HA ILE 111 13.398 1.852 -0.361 582 HB ILE 111 HB ILE 111 14.017 2.945 1.682 583 HG12 ILE 111 HG12 ILE 111 14.336 4.035 -0.646 584 HG13 ILE 111 HG13 ILE 111 14.844 4.891 0.802 585 HG21 ILE 111 HG21 ILE 111 15.792 1.603 2.593 586 HG22 ILE 111 HG22 ILE 111 16.885 1.993 1.255 587 HG23 ILE 111 HG23 ILE 111 16.408 3.237 2.417 588 HD11 ILE 111 HD11 ILE 111 16.793 3.258 -0.861 589 HD12 ILE 111 HD12 ILE 111 16.374 4.951 -1.225 590 HD13 ILE 111 HD13 ILE 111 17.140 4.509 0.329 591 H LEU 112 H LEU 112 14.409 2.459 -2.290 592 HA LEU 112 HA LEU 112 16.968 1.145 -3.020 593 HB2 LEU 112 HB2 LEU 112 16.252 0.788 -5.305 594 HB3 LEU 112 HB3 LEU 112 15.552 -0.315 -4.165 595 HG LEU 112 HG LEU 112 13.892 2.066 -5.029 596 HD11 LEU 112 HD11 LEU 112 14.349 -0.451 -6.679 597 HD12 LEU 112 HD12 LEU 112 14.800 1.205 -7.132 598 HD13 LEU 112 HD13 LEU 112 13.094 0.764 -6.981 599 HD21 LEU 112 HD21 LEU 112 12.941 0.589 -3.313 600 HD22 LEU 112 HD22 LEU 112 13.279 -0.836 -4.314 601 HD23 LEU 112 HD23 LEU 112 12.079 0.341 -4.849 602 H LYS 113 H LYS 113 14.507 3.599 -3.954 603 HA LYS 113 HA LYS 113 16.476 5.683 -3.926 604 HB2 LYS 113 HB2 LYS 113 16.162 4.391 -6.395 605 HB3 LYS 113 HB3 LYS 113 14.962 5.683 -6.500 606 HG2 LYS 113 HG2 LYS 113 16.833 7.271 -5.694 607 HG3 LYS 113 HG3 LYS 113 17.941 5.906 -5.900 608 HD2 LYS 113 HD2 LYS 113 17.108 5.771 -8.325 609 HD3 LYS 113 HD3 LYS 113 16.253 7.285 -8.025 610 HE2 LYS 113 HE2 LYS 113 18.286 7.942 -9.022 611 HE3 LYS 113 HE3 LYS 113 18.496 8.281 -7.298 612 HZ1 LYS 113 HZ1 LYS 113 19.489 5.830 -8.643 613 HZ2 LYS 113 HZ2 LYS 113 19.795 6.257 -7.110 614 HZ3 LYS 113 HZ3 LYS 113 20.414 7.157 -8.343 615 H VAL 114 H VAL 114 15.055 7.792 -4.704 616 HA VAL 114 HA VAL 114 12.274 7.471 -3.714 617 HB VAL 114 HB VAL 114 12.501 9.561 -2.439 618 HG11 VAL 114 HG11 VAL 114 14.492 7.429 -1.546 619 HG12 VAL 114 HG12 VAL 114 13.698 8.650 -0.528 620 HG13 VAL 114 HG13 VAL 114 12.737 7.393 -1.308 621 HG21 VAL 114 HG21 VAL 114 14.766 10.416 -1.834 622 HG22 VAL 114 HG22 VAL 114 15.479 9.381 -3.098 623 HG23 VAL 114 HG23 VAL 114 14.359 10.676 -3.527 624 H TRP 115 H TRP 115 13.255 7.460 -6.437 625 HA TRP 115 HA TRP 115 11.950 9.882 -7.484 626 HB2 TRP 115 HB2 TRP 115 14.598 9.835 -7.493 627 HB3 TRP 115 HB3 TRP 115 14.402 8.661 -8.787 628 HD1 TRP 115 HD1 TRP 115 14.659 12.249 -8.103 629 HE1 TRP 115 HE1 TRP 115 14.105 13.688 -10.098 630 HE3 TRP 115 HE3 TRP 115 12.599 8.639 -11.081 631 HZ2 TRP 115 HZ2 TRP 115 12.540 13.395 -12.559 632 HZ3 TRP 115 HZ3 TRP 115 11.533 9.259 -13.226 633 HH2 TRP 115 HH2 TRP 115 11.462 11.592 -13.967 Start of MODEL 7 1 H1 MET 1 H MET 1 -15.216 2.464 0.953 2 HA MET 1 HA MET 1 -17.103 1.058 1.065 3 HB2 MET 1 HB2 MET 1 -15.238 -1.046 1.103 4 HB3 MET 1 HB3 MET 1 -16.073 -1.187 2.627 5 HG2 MET 1 HG2 MET 1 -18.256 -1.073 1.449 6 HG3 MET 1 HG3 MET 1 -17.394 -0.977 -0.093 7 HE1 MET 1 HE1 MET 1 -19.635 -3.182 0.398 8 HE2 MET 1 HE2 MET 1 -18.680 -3.014 -1.089 9 HE3 MET 1 HE3 MET 1 -18.826 -4.597 -0.305 10 H LYS 2 H LYS 2 -15.697 -0.172 4.124 11 HA LYS 2 HA LYS 2 -17.419 1.609 5.522 12 HB2 LYS 2 HB2 LYS 2 -16.774 0.489 7.478 13 HB3 LYS 2 HB3 LYS 2 -17.018 -0.700 6.206 14 HG2 LYS 2 HG2 LYS 2 -14.611 -1.069 5.980 15 HG3 LYS 2 HG3 LYS 2 -14.262 0.315 7.035 16 HD2 LYS 2 HD2 LYS 2 -14.037 -1.573 8.464 17 HD3 LYS 2 HD3 LYS 2 -15.574 -0.828 8.857 18 HE2 LYS 2 HE2 LYS 2 -16.189 -3.030 8.811 19 HE3 LYS 2 HE3 LYS 2 -16.552 -2.589 7.138 20 HZ1 LYS 2 HZ1 LYS 2 -14.297 -3.476 6.596 21 HZ2 LYS 2 HZ2 LYS 2 -15.310 -4.619 7.208 22 HZ3 LYS 2 HZ3 LYS 2 -14.150 -3.950 8.167 23 H VAL 3 H VAL 3 -14.677 2.672 4.164 24 HA VAL 3 HA VAL 3 -14.392 4.765 6.118 25 HB VAL 3 HB VAL 3 -11.883 4.706 5.911 26 HG11 VAL 3 HG11 VAL 3 -11.492 3.250 7.761 27 HG12 VAL 3 HG12 VAL 3 -13.059 4.060 7.989 28 HG13 VAL 3 HG13 VAL 3 -13.000 2.357 7.471 29 HG21 VAL 3 HG21 VAL 3 -11.584 3.040 4.110 30 HG22 VAL 3 HG22 VAL 3 -10.731 2.593 5.595 31 HG23 VAL 3 HG23 VAL 3 -12.242 1.765 5.175 32 HA PRO 4 HA PRO 4 -14.547 6.847 2.247 33 HB2 PRO 4 HB2 PRO 4 -13.413 9.282 2.769 34 HB3 PRO 4 HB3 PRO 4 -14.971 8.760 3.471 35 HG2 PRO 4 HG2 PRO 4 -12.208 8.536 4.732 36 HG3 PRO 4 HG3 PRO 4 -13.672 9.289 5.444 37 HD2 PRO 4 HD2 PRO 4 -13.030 6.740 6.035 38 HD3 PRO 4 HD3 PRO 4 -14.738 7.162 5.697 39 H GLY 5 H GLY 5 -11.478 5.791 3.475 40 HA2 GLY 5 HA2 GLY 5 -9.775 5.043 2.149 41 HA3 GLY 5 HA3 GLY 5 -10.355 6.033 0.819 42 H VAL 6 H VAL 6 -7.646 5.763 2.461 43 HA VAL 6 HA VAL 6 -7.220 8.657 3.023 44 HB VAL 6 HB VAL 6 -5.581 6.220 3.779 45 HG11 VAL 6 HG11 VAL 6 -5.100 9.174 4.385 46 HG12 VAL 6 HG12 VAL 6 -4.202 7.815 5.093 47 HG13 VAL 6 HG13 VAL 6 -4.080 8.135 3.363 48 HG21 VAL 6 HG21 VAL 6 -7.228 8.175 5.445 49 HG22 VAL 6 HG22 VAL 6 -7.621 6.486 5.143 50 HG23 VAL 6 HG23 VAL 6 -6.193 6.889 6.097 51 H ARG 7 H ARG 7 -6.102 9.809 1.540 52 HA ARG 7 HA ARG 7 -5.454 8.657 -1.017 53 HB2 ARG 7 HB2 ARG 7 -4.718 10.861 -1.652 54 HB3 ARG 7 HB3 ARG 7 -6.267 10.941 -0.874 55 HG2 ARG 7 HG2 ARG 7 -3.828 11.579 0.819 56 HG3 ARG 7 HG3 ARG 7 -4.212 12.666 -0.494 57 HD2 ARG 7 HD2 ARG 7 -6.152 11.870 1.681 58 HD3 ARG 7 HD3 ARG 7 -5.146 13.322 1.712 59 HE ARG 7 HE ARG 7 -6.411 13.421 -0.743 60 HH11 ARG 7 HH11 ARG 7 -7.700 13.263 2.569 61 HH12 ARG 7 HH12 ARG 7 -9.267 13.791 2.080 62 HH21 ARG 7 HH21 ARG 7 -8.239 14.448 -1.254 63 HH22 ARG 7 HH22 ARG 7 -9.439 14.932 -0.079 64 H VAL 8 H VAL 8 -3.780 7.526 -1.566 65 HA VAL 8 HA VAL 8 -1.109 8.220 -0.480 66 HB VAL 8 HB VAL 8 -0.580 5.792 -0.313 67 HG11 VAL 8 HG11 VAL 8 -1.620 5.433 1.871 68 HG12 VAL 8 HG12 VAL 8 -1.067 7.105 1.707 69 HG13 VAL 8 HG13 VAL 8 -2.798 6.720 1.564 70 HG21 VAL 8 HG21 VAL 8 -2.326 4.114 -0.071 71 HG22 VAL 8 HG22 VAL 8 -3.594 5.322 -0.351 72 HG23 VAL 8 HG23 VAL 8 -2.480 4.873 -1.658 73 H ARG 9 H ARG 9 0.685 7.476 -1.921 74 HA ARG 9 HA ARG 9 -0.168 6.883 -4.707 75 HB2 ARG 9 HB2 ARG 9 0.377 9.321 -4.483 76 HB3 ARG 9 HB3 ARG 9 2.020 8.853 -3.997 77 HG2 ARG 9 HG2 ARG 9 2.273 7.585 -6.128 78 HG3 ARG 9 HG3 ARG 9 0.632 8.020 -6.606 79 HD2 ARG 9 HD2 ARG 9 2.853 10.022 -6.075 80 HD3 ARG 9 HD3 ARG 9 2.486 9.319 -7.670 81 HE ARG 9 HE ARG 9 0.075 10.406 -6.817 82 HH11 ARG 9 HH11 ARG 9 3.345 11.612 -7.584 83 HH12 ARG 9 HH12 ARG 9 2.758 13.144 -8.147 84 HH21 ARG 9 HH21 ARG 9 -0.654 12.228 -7.585 85 HH22 ARG 9 HH22 ARG 9 0.364 13.541 -8.173 86 H ALA 10 H ALA 10 1.020 5.231 -5.586 87 HA ALA 10 HA ALA 10 2.820 3.741 -3.843 88 HB1 ALA 10 HB1 ALA 10 1.982 3.414 -6.753 89 HB2 ALA 10 HB2 ALA 10 2.979 2.250 -5.857 90 HB3 ALA 10 HB3 ALA 10 1.295 2.545 -5.360 91 H LEU 11 H LEU 11 5.029 3.760 -3.925 92 HA LEU 11 HA LEU 11 6.275 5.793 -5.737 93 HB2 LEU 11 HB2 LEU 11 7.210 4.537 -3.142 94 HB3 LEU 11 HB3 LEU 11 8.129 5.714 -4.072 95 HG LEU 11 HG LEU 11 5.423 6.216 -2.745 96 HD11 LEU 11 HD11 LEU 11 6.860 7.712 -1.321 97 HD12 LEU 11 HD12 LEU 11 8.284 6.939 -2.025 98 HD13 LEU 11 HD13 LEU 11 7.139 5.966 -1.101 99 HD21 LEU 11 HD21 LEU 11 7.261 8.173 -4.205 100 HD22 LEU 11 HD22 LEU 11 5.819 8.594 -3.268 101 HD23 LEU 11 HD23 LEU 11 5.642 7.650 -4.741 102 H TYR 12 H TYR 12 6.003 2.395 -5.464 103 HA TYR 12 HA TYR 12 8.325 2.084 -7.259 104 HB2 TYR 12 HB2 TYR 12 7.851 -0.012 -5.162 105 HB3 TYR 12 HB3 TYR 12 9.299 0.346 -6.068 106 HD1 TYR 12 HD1 TYR 12 7.496 0.832 -3.037 107 HD2 TYR 12 HD2 TYR 12 10.613 2.679 -5.413 108 HE1 TYR 12 HE1 TYR 12 8.107 2.337 -1.124 109 HE2 TYR 12 HE2 TYR 12 11.085 4.192 -3.583 110 HH TYR 12 HH TYR 12 9.666 3.984 -0.364 111 H ASP 13 H ASP 13 8.197 -0.080 -8.312 112 HA ASP 13 HA ASP 13 5.381 -0.662 -9.102 113 HB2 ASP 13 HB2 ASP 13 6.472 -1.592 -11.215 114 HB3 ASP 13 HB3 ASP 13 6.287 0.139 -10.953 115 H TYR 14 H TYR 14 4.739 -2.151 -7.779 116 HA TYR 14 HA TYR 14 5.976 -4.830 -7.800 117 HB2 TYR 14 HB2 TYR 14 5.385 -2.990 -5.528 118 HB3 TYR 14 HB3 TYR 14 4.893 -4.654 -5.328 119 HD1 TYR 14 HD1 TYR 14 6.361 -6.064 -4.164 120 HD2 TYR 14 HD2 TYR 14 7.977 -2.840 -6.567 121 HE1 TYR 14 HE1 TYR 14 8.633 -6.905 -3.792 122 HE2 TYR 14 HE2 TYR 14 10.235 -3.668 -6.199 123 HH TYR 14 HH TYR 14 11.453 -5.642 -5.561 124 H THR 15 H THR 15 4.392 -6.551 -7.200 125 HA THR 15 HA THR 15 1.575 -5.884 -7.753 126 HB THR 15 HB THR 15 2.422 -6.302 -9.903 127 HG1 THR 15 HG1 THR 15 0.580 -7.766 -9.066 128 HG21 THR 15 HG21 THR 15 3.874 -8.757 -8.873 129 HG22 THR 15 HG22 THR 15 4.594 -7.289 -9.556 130 HG23 THR 15 HG23 THR 15 3.652 -8.363 -10.591 131 H GLY 16 H GLY 16 1.402 -6.226 -5.479 132 HA2 GLY 16 HA2 GLY 16 0.903 -7.331 -3.594 133 HA3 GLY 16 HA3 GLY 16 0.291 -8.630 -4.652 134 H GLN 17 H GLN 17 1.018 -10.102 -2.874 135 HA GLN 17 HA GLN 17 3.862 -10.769 -3.236 136 HB2 GLN 17 HB2 GLN 17 3.812 -9.504 -1.143 137 HB3 GLN 17 HB3 GLN 17 2.574 -10.584 -0.493 138 HG2 GLN 17 HG2 GLN 17 4.815 -11.081 0.402 139 HG3 GLN 17 HG3 GLN 17 4.142 -12.457 -0.449 140 HE21 GLN 17 HE21 GLN 17 5.176 -13.113 -2.477 141 HE22 GLN 17 HE22 GLN 17 6.801 -12.551 -2.867 142 H GLU 18 H GLU 18 0.489 -11.797 -2.726 143 HA GLU 18 HA GLU 18 1.249 -14.425 -3.589 144 HB2 GLU 18 HB2 GLU 18 0.701 -13.885 -0.784 145 HB3 GLU 18 HB3 GLU 18 -0.595 -14.870 -1.451 146 HG2 GLU 18 HG2 GLU 18 1.133 -16.419 -2.413 147 HG3 GLU 18 HG3 GLU 18 2.395 -15.465 -1.635 148 H ALA 19 H ALA 19 -1.189 -15.615 -3.522 149 HA ALA 19 HA ALA 19 -2.445 -14.226 -5.721 150 HB1 ALA 19 HB1 ALA 19 -2.113 -16.693 -5.541 151 HB2 ALA 19 HB2 ALA 19 -3.310 -16.720 -4.220 152 HB3 ALA 19 HB3 ALA 19 -3.777 -16.191 -5.852 153 H ASP 20 H ASP 20 -2.903 -13.606 -2.400 154 HA ASP 20 HA ASP 20 -5.809 -13.012 -2.793 155 HB2 ASP 20 HB2 ASP 20 -4.774 -14.671 -1.016 156 HB3 ASP 20 HB3 ASP 20 -4.460 -13.194 -0.114 157 H GLU 21 H GLU 21 -2.943 -11.430 -3.022 158 HA GLU 21 HA GLU 21 -3.741 -8.985 -1.538 159 HB2 GLU 21 HB2 GLU 21 -1.231 -9.990 -2.957 160 HB3 GLU 21 HB3 GLU 21 -1.357 -8.355 -2.329 161 HG2 GLU 21 HG2 GLU 21 -0.189 -9.903 -0.808 162 HG3 GLU 21 HG3 GLU 21 -1.579 -9.102 -0.070 163 H LEU 22 H LEU 22 -3.158 -6.970 -2.612 164 HA LEU 22 HA LEU 22 -4.599 -6.499 -5.116 165 HB2 LEU 22 HB2 LEU 22 -4.977 -5.358 -2.792 166 HB3 LEU 22 HB3 LEU 22 -3.439 -4.582 -3.045 167 HG LEU 22 HG LEU 22 -4.398 -3.434 -5.076 168 HD11 LEU 22 HD11 LEU 22 -6.126 -4.999 -5.690 169 HD12 LEU 22 HD12 LEU 22 -6.920 -3.469 -5.270 170 HD13 LEU 22 HD13 LEU 22 -6.942 -4.827 -4.133 171 HD21 LEU 22 HD21 LEU 22 -4.366 -2.244 -2.973 172 HD22 LEU 22 HD22 LEU 22 -5.832 -3.081 -2.424 173 HD23 LEU 22 HD23 LEU 22 -5.910 -1.921 -3.767 174 H SER 23 H SER 23 -3.536 -5.639 -6.913 175 HA SER 23 HA SER 23 -0.577 -5.089 -6.663 176 HB2 SER 23 HB2 SER 23 -2.254 -6.318 -8.878 177 HB3 SER 23 HB3 SER 23 -0.660 -5.601 -9.177 178 HG SER 23 HG SER 23 -1.266 -7.746 -7.387 179 H PHE 24 H PHE 24 0.053 -3.066 -7.081 180 HA PHE 24 HA PHE 24 -1.835 -1.216 -8.503 181 HB2 PHE 24 HB2 PHE 24 -0.826 0.544 -7.091 182 HB3 PHE 24 HB3 PHE 24 -1.823 -0.658 -6.282 183 HD1 PHE 24 HD1 PHE 24 1.818 0.044 -7.029 184 HD2 PHE 24 HD2 PHE 24 -1.098 -1.575 -4.236 185 HE1 PHE 24 HE1 PHE 24 3.611 -0.389 -5.392 186 HE2 PHE 24 HE2 PHE 24 0.738 -1.877 -2.591 187 HZ PHE 24 HZ PHE 24 3.048 -1.370 -3.160 188 H LYS 25 H LYS 25 -0.165 0.875 -9.100 189 HA LYS 25 HA LYS 25 2.129 -0.245 -10.605 190 HB2 LYS 25 HB2 LYS 25 -0.338 0.839 -11.717 191 HB3 LYS 25 HB3 LYS 25 0.920 2.039 -11.950 192 HG2 LYS 25 HG2 LYS 25 0.880 0.642 -13.896 193 HG3 LYS 25 HG3 LYS 25 2.362 0.294 -13.001 194 HD2 LYS 25 HD2 LYS 25 1.110 -1.684 -11.959 195 HD3 LYS 25 HD3 LYS 25 -0.168 -1.401 -13.153 196 HE2 LYS 25 HE2 LYS 25 1.323 -1.888 -14.972 197 HE3 LYS 25 HE3 LYS 25 2.752 -1.738 -13.933 198 HZ1 LYS 25 HZ1 LYS 25 0.759 -3.897 -13.913 199 HZ2 LYS 25 HZ2 LYS 25 1.871 -3.721 -12.705 200 HZ3 LYS 25 HZ3 LYS 25 2.336 -4.042 -14.256 201 H ALA 26 H ALA 26 3.898 1.366 -10.875 202 HA ALA 26 HA ALA 26 4.216 2.969 -8.526 203 HB1 ALA 26 HB1 ALA 26 5.686 3.144 -11.181 204 HB2 ALA 26 HB2 ALA 26 6.222 3.831 -9.635 205 HB3 ALA 26 HB3 ALA 26 6.145 2.079 -9.824 206 H GLY 27 H GLY 27 3.575 5.054 -8.128 207 HA2 GLY 27 HA2 GLY 27 3.003 7.233 -8.564 208 HA3 GLY 27 HA3 GLY 27 2.947 6.907 -10.297 209 H GLU 28 H GLU 28 1.149 4.406 -9.027 210 HA GLU 28 HA GLU 28 -1.351 5.642 -9.787 211 HB2 GLU 28 HB2 GLU 28 -0.762 3.215 -10.173 212 HB3 GLU 28 HB3 GLU 28 -0.790 2.964 -8.423 213 HG2 GLU 28 HG2 GLU 28 -2.826 2.145 -9.362 214 HG3 GLU 28 HG3 GLU 28 -3.204 3.535 -8.369 215 H GLU 29 H GLU 29 -3.140 6.083 -8.379 216 HA GLU 29 HA GLU 29 -2.383 6.415 -5.516 217 HB2 GLU 29 HB2 GLU 29 -4.078 8.093 -7.359 218 HB3 GLU 29 HB3 GLU 29 -4.167 8.197 -5.602 219 HG2 GLU 29 HG2 GLU 29 -1.631 8.553 -5.619 220 HG3 GLU 29 HG3 GLU 29 -1.737 8.731 -7.367 221 H LEU 30 H LEU 30 -3.217 4.796 -4.341 222 HA LEU 30 HA LEU 30 -5.920 3.746 -5.024 223 HB2 LEU 30 HB2 LEU 30 -5.148 2.018 -3.129 224 HB3 LEU 30 HB3 LEU 30 -4.822 1.747 -4.849 225 HG LEU 30 HG LEU 30 -2.746 3.009 -3.051 226 HD11 LEU 30 HD11 LEU 30 -1.855 0.745 -2.643 227 HD12 LEU 30 HD12 LEU 30 -3.299 0.038 -3.405 228 HD13 LEU 30 HD13 LEU 30 -3.436 0.979 -1.899 229 HD21 LEU 30 HD21 LEU 30 -1.230 1.894 -4.712 230 HD22 LEU 30 HD22 LEU 30 -2.371 2.938 -5.569 231 HD23 LEU 30 HD23 LEU 30 -2.660 1.212 -5.532 232 H MET 31 H MET 31 -7.168 3.164 -2.953 233 HA MET 31 HA MET 31 -6.826 5.363 -0.955 234 HB2 MET 31 HB2 MET 31 -9.484 4.004 -1.405 235 HB3 MET 31 HB3 MET 31 -9.059 5.531 -0.658 236 HG2 MET 31 HG2 MET 31 -8.942 4.953 -3.617 237 HG3 MET 31 HG3 MET 31 -10.173 5.902 -2.791 238 HE1 MET 31 HE1 MET 31 -8.194 9.122 -1.689 239 HE2 MET 31 HE2 MET 31 -9.754 8.274 -1.659 240 HE3 MET 31 HE3 MET 31 -8.386 7.684 -0.679 241 H LYS 32 H LYS 32 -5.887 4.511 0.824 242 HA LYS 32 HA LYS 32 -5.932 1.689 1.405 243 HB2 LYS 32 HB2 LYS 32 -4.215 3.186 2.236 244 HB3 LYS 32 HB3 LYS 32 -5.402 4.093 3.196 245 HG2 LYS 32 HG2 LYS 32 -5.961 2.029 4.503 246 HG3 LYS 32 HG3 LYS 32 -4.768 1.136 3.556 247 HD2 LYS 32 HD2 LYS 32 -3.829 1.638 5.643 248 HD3 LYS 32 HD3 LYS 32 -3.024 2.721 4.469 249 HE2 LYS 32 HE2 LYS 32 -4.719 4.498 5.230 250 HE3 LYS 32 HE3 LYS 32 -5.227 3.351 6.461 251 HZ1 LYS 32 HZ1 LYS 32 -3.669 4.780 7.435 252 HZ2 LYS 32 HZ2 LYS 32 -2.511 4.520 6.281 253 HZ3 LYS 32 HZ3 LYS 32 -2.919 3.316 7.272 254 H ILE 33 H ILE 33 -7.380 0.442 2.795 255 HA ILE 33 HA ILE 33 -9.536 2.016 3.952 256 HB ILE 33 HB ILE 33 -11.175 0.453 3.367 257 HG12 ILE 33 HG12 ILE 33 -9.594 -1.244 1.493 258 HG13 ILE 33 HG13 ILE 33 -9.311 -1.546 3.204 259 HG21 ILE 33 HG21 ILE 33 -9.673 1.067 0.818 260 HG22 ILE 33 HG22 ILE 33 -11.404 0.771 0.998 261 HG23 ILE 33 HG23 ILE 33 -10.679 2.218 1.721 262 HD11 ILE 33 HD11 ILE 33 -11.091 -2.983 2.367 263 HD12 ILE 33 HD12 ILE 33 -11.730 -1.860 3.580 264 HD13 ILE 33 HD13 ILE 33 -12.033 -1.567 1.849 265 H SER 34 H SER 34 -6.998 0.519 5.092 266 HA SER 34 HA SER 34 -8.408 -0.440 7.467 267 HB2 SER 34 HB2 SER 34 -7.918 -2.327 5.676 268 HB3 SER 34 HB3 SER 34 -6.248 -2.188 6.274 269 HG SER 34 HG SER 34 -6.869 -3.294 7.942 270 H GLU 35 H GLU 35 -6.383 -1.255 8.973 271 HA GLU 35 HA GLU 35 -4.593 1.100 9.162 272 HB2 GLU 35 HB2 GLU 35 -4.462 0.618 11.480 273 HB3 GLU 35 HB3 GLU 35 -6.167 0.617 11.027 274 HG2 GLU 35 HG2 GLU 35 -5.888 -1.974 10.804 275 HG3 GLU 35 HG3 GLU 35 -4.391 -1.757 11.713 276 H GLU 36 H GLU 36 -2.330 0.492 10.150 277 HA GLU 36 HA GLU 36 -1.164 -1.420 8.364 278 HB2 GLU 36 HB2 GLU 36 -0.233 0.808 9.018 279 HB3 GLU 36 HB3 GLU 36 0.130 0.142 10.622 280 HG2 GLU 36 HG2 GLU 36 1.600 -1.544 9.589 281 HG3 GLU 36 HG3 GLU 36 1.138 -0.984 7.972 282 H ASP 37 H ASP 37 -1.036 -3.462 8.639 283 HA ASP 37 HA ASP 37 -1.480 -4.869 11.148 284 HB2 ASP 37 HB2 ASP 37 -1.112 -5.541 8.281 285 HB3 ASP 37 HB3 ASP 37 -0.500 -6.766 9.372 286 H GLU 38 H GLU 38 0.177 -6.627 11.811 287 HA GLU 38 HA GLU 38 2.530 -5.491 12.695 288 HB2 GLU 38 HB2 GLU 38 1.236 -7.573 13.448 289 HB3 GLU 38 HB3 GLU 38 2.181 -8.469 12.242 290 HG2 GLU 38 HG2 GLU 38 4.265 -7.762 13.407 291 HG3 GLU 38 HG3 GLU 38 3.311 -6.808 14.549 292 H GLN 39 H GLN 39 2.044 -6.691 9.508 293 HA GLN 39 HA GLN 39 4.971 -6.777 9.007 294 HB2 GLN 39 HB2 GLN 39 2.845 -8.550 8.153 295 HB3 GLN 39 HB3 GLN 39 3.451 -7.770 6.746 296 HG2 GLN 39 HG2 GLN 39 4.689 -9.847 8.410 297 HG3 GLN 39 HG3 GLN 39 4.834 -9.541 6.706 298 HE21 GLN 39 HE21 GLN 39 6.492 -9.503 9.612 299 HE22 GLN 39 HE22 GLN 39 7.922 -8.633 9.073 300 H GLY 40 H GLY 40 2.898 -4.372 9.043 301 HA2 GLY 40 HA2 GLY 40 2.912 -2.366 7.880 302 HA3 GLY 40 HA3 GLY 40 4.207 -2.970 6.859 303 H TRP 41 H TRP 41 1.230 -4.763 7.313 304 HA TRP 41 HA TRP 41 0.617 -4.691 4.432 305 HB2 TRP 41 HB2 TRP 41 0.075 -6.446 6.814 306 HB3 TRP 41 HB3 TRP 41 -1.246 -6.306 5.672 307 HD1 TRP 41 HD1 TRP 41 1.133 -8.684 6.432 308 HE1 TRP 41 HE1 TRP 41 1.718 -10.135 4.408 309 HE3 TRP 41 HE3 TRP 41 -0.526 -5.630 2.705 310 HZ2 TRP 41 HZ2 TRP 41 1.991 -9.773 1.575 311 HZ3 TRP 41 HZ3 TRP 41 -0.134 -6.256 0.330 312 HH2 TRP 41 HH2 TRP 41 1.123 -8.182 -0.263 313 H CYS 42 H CYS 42 -1.239 -3.574 3.648 314 HA CYS 42 HA CYS 42 -3.148 -2.503 5.650 315 HB2 CYS 42 HB2 CYS 42 -1.434 -0.954 3.690 316 HB3 CYS 42 HB3 CYS 42 -3.080 -0.412 4.048 317 HG CYS 42 HG CYS 42 -1.334 0.945 5.550 318 H LYS 43 H LYS 43 -5.165 -2.966 4.975 319 HA LYS 43 HA LYS 43 -5.521 -4.060 2.253 320 HB2 LYS 43 HB2 LYS 43 -6.916 -4.247 4.794 321 HB3 LYS 43 HB3 LYS 43 -8.047 -3.653 3.591 322 HG2 LYS 43 HG2 LYS 43 -6.352 -5.980 2.693 323 HG3 LYS 43 HG3 LYS 43 -7.383 -6.277 4.086 324 HD2 LYS 43 HD2 LYS 43 -9.346 -5.401 2.746 325 HD3 LYS 43 HD3 LYS 43 -8.267 -5.311 1.333 326 HE2 LYS 43 HE2 LYS 43 -7.678 -7.734 1.647 327 HE3 LYS 43 HE3 LYS 43 -8.620 -7.762 3.129 328 HZ1 LYS 43 HZ1 LYS 43 -9.782 -8.794 1.453 329 HZ2 LYS 43 HZ2 LYS 43 -9.748 -7.576 0.407 330 HZ3 LYS 43 HZ3 LYS 43 -10.634 -7.432 1.806 331 H GLY 44 H GLY 44 -6.486 -2.921 0.522 332 HA2 GLY 44 HA2 GLY 44 -7.665 -0.284 1.023 333 HA3 GLY 44 HA3 GLY 44 -6.148 -0.247 0.155 334 H ARG 45 H ARG 45 -8.082 0.790 -1.237 335 HA ARG 45 HA ARG 45 -9.125 -1.305 -3.058 336 HB2 ARG 45 HB2 ARG 45 -10.813 0.018 -1.538 337 HB3 ARG 45 HB3 ARG 45 -10.386 1.414 -2.520 338 HG2 ARG 45 HG2 ARG 45 -11.052 -0.486 -4.450 339 HG3 ARG 45 HG3 ARG 45 -12.125 -0.923 -3.133 340 HD2 ARG 45 HD2 ARG 45 -11.896 1.719 -4.617 341 HD3 ARG 45 HD3 ARG 45 -13.228 0.573 -4.662 342 HE ARG 45 HE ARG 45 -12.500 2.297 -2.332 343 HH11 ARG 45 HH11 ARG 45 -15.113 0.978 -4.504 344 HH12 ARG 45 HH12 ARG 45 -16.312 1.646 -3.470 345 HH21 ARG 45 HH21 ARG 45 -14.267 3.257 -1.187 346 HH22 ARG 45 HH22 ARG 45 -15.873 3.019 -1.838 347 H LEU 46 H LEU 46 -9.016 -0.868 -5.232 348 HA LEU 46 HA LEU 46 -7.141 1.261 -6.058 349 HB2 LEU 46 HB2 LEU 46 -7.831 -1.507 -7.041 350 HB3 LEU 46 HB3 LEU 46 -7.476 -0.326 -8.308 351 HG LEU 46 HG LEU 46 -5.767 -0.760 -5.887 352 HD11 LEU 46 HD11 LEU 46 -5.960 -2.827 -7.285 353 HD12 LEU 46 HD12 LEU 46 -4.338 -2.135 -7.156 354 HD13 LEU 46 HD13 LEU 46 -5.291 -1.913 -8.650 355 HD21 LEU 46 HD21 LEU 46 -5.298 1.425 -7.077 356 HD22 LEU 46 HD22 LEU 46 -5.141 0.544 -8.603 357 HD23 LEU 46 HD23 LEU 46 -3.966 0.297 -7.309 358 H LEU 47 H LEU 47 -7.599 2.062 -8.378 359 HA LEU 47 HA LEU 47 -9.909 3.690 -8.251 360 HB2 LEU 47 HB2 LEU 47 -8.128 3.036 -10.631 361 HB3 LEU 47 HB3 LEU 47 -9.290 4.345 -10.551 362 HG LEU 47 HG LEU 47 -7.190 5.306 -10.213 363 HD11 LEU 47 HD11 LEU 47 -8.289 5.085 -7.402 364 HD12 LEU 47 HD12 LEU 47 -8.963 6.138 -8.677 365 HD13 LEU 47 HD13 LEU 47 -7.310 6.387 -8.088 366 HD21 LEU 47 HD21 LEU 47 -6.012 3.150 -9.587 367 HD22 LEU 47 HD22 LEU 47 -6.448 3.529 -7.888 368 HD23 LEU 47 HD23 LEU 47 -5.469 4.643 -8.828 369 H THR 48 H THR 48 -9.205 0.697 -10.034 370 HA THR 48 HA THR 48 -11.688 0.598 -11.452 371 HB THR 48 HB THR 48 -9.548 -0.455 -12.134 372 HG1 THR 48 HG1 THR 48 -11.844 -2.050 -11.896 373 HG21 THR 48 HG21 THR 48 -10.099 -2.457 -9.899 374 HG22 THR 48 HG22 THR 48 -8.686 -1.383 -10.058 375 HG23 THR 48 HG23 THR 48 -8.953 -2.693 -11.212 376 H GLY 49 H GLY 49 -11.471 0.636 -8.224 377 HA2 GLY 49 HA2 GLY 49 -12.983 0.130 -6.648 378 HA3 GLY 49 HA3 GLY 49 -13.904 -0.816 -7.810 379 H HIS 50 H HIS 50 -10.775 -2.173 -7.890 380 HA HIS 50 HA HIS 50 -11.701 -4.519 -6.504 381 HB2 HIS 50 HB2 HIS 50 -10.262 -4.572 -8.478 382 HB3 HIS 50 HB3 HIS 50 -9.019 -3.639 -7.651 383 HD1 HIS 50 HD1 HIS 50 -10.701 -6.912 -6.235 384 HD2 HIS 50 HD2 HIS 50 -7.121 -5.352 -7.831 385 HE1 HIS 50 HE1 HIS 50 -8.924 -8.685 -5.885 386 H VAL 51 H VAL 51 -10.993 -5.328 -4.411 387 HA VAL 51 HA VAL 51 -9.364 -3.458 -2.803 388 HB VAL 51 HB VAL 51 -11.894 -3.367 -2.464 389 HG11 VAL 51 HG11 VAL 51 -13.015 -5.044 -1.171 390 HG12 VAL 51 HG12 VAL 51 -12.291 -5.845 -2.568 391 HG13 VAL 51 HG13 VAL 51 -11.532 -5.997 -0.979 392 HG21 VAL 51 HG21 VAL 51 -11.797 -3.278 -0.012 393 HG22 VAL 51 HG22 VAL 51 -10.168 -3.993 -0.055 394 HG23 VAL 51 HG23 VAL 51 -10.483 -2.404 -0.799 395 H GLY 52 H GLY 52 -7.888 -4.451 -1.316 396 HA2 GLY 52 HA2 GLY 52 -7.786 -7.185 -0.633 397 HA3 GLY 52 HA3 GLY 52 -6.814 -6.956 -2.088 398 H LEU 53 H LEU 53 -5.285 -7.749 -0.111 399 HA LEU 53 HA LEU 53 -4.305 -5.625 1.642 400 HB2 LEU 53 HB2 LEU 53 -3.610 -8.502 1.026 401 HB3 LEU 53 HB3 LEU 53 -2.327 -7.502 1.653 402 HG LEU 53 HG LEU 53 -4.910 -8.156 3.083 403 HD11 LEU 53 HD11 LEU 53 -2.958 -9.840 2.897 404 HD12 LEU 53 HD12 LEU 53 -3.464 -9.410 4.552 405 HD13 LEU 53 HD13 LEU 53 -1.999 -8.706 3.831 406 HD21 LEU 53 HD21 LEU 53 -3.782 -6.967 5.028 407 HD22 LEU 53 HD22 LEU 53 -4.358 -5.885 3.781 408 HD23 LEU 53 HD23 LEU 53 -2.630 -6.276 3.863 409 H TYR 54 H TYR 54 -2.544 -4.277 1.290 410 HA TYR 54 HA TYR 54 -0.831 -4.715 -1.033 411 HB2 TYR 54 HB2 TYR 54 -1.116 -2.664 -1.977 412 HB3 TYR 54 HB3 TYR 54 -2.750 -3.071 -1.599 413 HD1 TYR 54 HD1 TYR 54 -4.013 -1.788 0.051 414 HD2 TYR 54 HD2 TYR 54 0.173 -0.961 -0.607 415 HE1 TYR 54 HE1 TYR 54 -4.170 0.225 1.492 416 HE2 TYR 54 HE2 TYR 54 0.015 1.002 0.775 417 HH TYR 54 HH TYR 54 -1.276 2.219 2.329 418 HA PRO 55 HA PRO 55 1.847 -3.788 2.397 419 HB2 PRO 55 HB2 PRO 55 4.238 -3.375 1.181 420 HB3 PRO 55 HB3 PRO 55 3.445 -4.983 1.237 421 HG2 PRO 55 HG2 PRO 55 3.394 -2.933 -0.985 422 HG3 PRO 55 HG3 PRO 55 3.740 -4.691 -1.101 423 HD2 PRO 55 HD2 PRO 55 1.285 -3.667 -1.680 424 HD3 PRO 55 HD3 PRO 55 1.499 -5.248 -0.881 425 H ALA 56 H ALA 56 1.585 -1.892 3.535 426 HA ALA 56 HA ALA 56 1.308 0.677 2.340 427 HB1 ALA 56 HB1 ALA 56 1.765 1.457 4.760 428 HB2 ALA 56 HB2 ALA 56 0.344 0.468 4.421 429 HB3 ALA 56 HB3 ALA 56 1.773 -0.270 5.175 430 H ASN 57 H ASN 57 4.089 -1.082 3.414 431 HA ASN 57 HA ASN 57 6.088 0.879 3.588 432 HB2 ASN 57 HB2 ASN 57 6.225 -1.960 2.462 433 HB3 ASN 57 HB3 ASN 57 7.638 -0.971 2.785 434 HD21 ASN 57 HD21 ASN 57 6.073 -3.572 4.028 435 HD22 ASN 57 HD22 ASN 57 6.525 -3.273 5.708 436 H TYR 58 H TYR 58 4.368 -0.055 0.659 437 HA TYR 58 HA TYR 58 6.565 0.961 -1.039 438 HB2 TYR 58 HB2 TYR 58 4.308 -0.927 -1.557 439 HB3 TYR 58 HB3 TYR 58 5.286 -0.252 -2.856 440 HD1 TYR 58 HD1 TYR 58 5.681 -2.049 0.403 441 HD2 TYR 58 HD2 TYR 58 7.082 -1.653 -3.630 442 HE1 TYR 58 HE1 TYR 58 7.482 -3.680 0.897 443 HE2 TYR 58 HE2 TYR 58 8.879 -3.283 -3.160 444 HH TYR 58 HH TYR 58 10.020 -4.451 -1.448 445 H VAL 59 H VAL 59 3.950 2.331 0.438 446 HA VAL 59 HA VAL 59 3.618 4.223 -1.802 447 HB VAL 59 HB VAL 59 1.281 4.250 -1.687 448 HG11 VAL 59 HG11 VAL 59 1.750 1.278 -1.193 449 HG12 VAL 59 HG12 VAL 59 0.420 2.047 -2.085 450 HG13 VAL 59 HG13 VAL 59 2.059 2.075 -2.739 451 HG21 VAL 59 HG21 VAL 59 1.410 2.696 0.910 452 HG22 VAL 59 HG22 VAL 59 0.934 4.385 0.710 453 HG23 VAL 59 HG23 VAL 59 -0.092 3.133 0.031 454 H GLU 60 H GLU 60 2.810 6.353 -1.005 455 HA GLU 60 HA GLU 60 3.244 6.843 1.891 456 HB2 GLU 60 HB2 GLU 60 4.712 8.100 -0.457 457 HB3 GLU 60 HB3 GLU 60 4.417 9.016 1.039 458 HG2 GLU 60 HG2 GLU 60 5.457 7.157 2.335 459 HG3 GLU 60 HG3 GLU 60 5.949 6.400 0.824 460 H LYS 61 H LYS 61 2.384 9.030 2.468 461 HA LYS 61 HA LYS 61 -0.221 9.350 1.197 462 HB2 LYS 61 HB2 LYS 61 1.218 10.559 3.535 463 HB3 LYS 61 HB3 LYS 61 0.046 11.589 2.708 464 HG2 LYS 61 HG2 LYS 61 -1.580 9.583 2.863 465 HG3 LYS 61 HG3 LYS 61 -0.476 8.958 4.096 466 HD2 LYS 61 HD2 LYS 61 -2.113 11.521 4.050 467 HD3 LYS 61 HD3 LYS 61 -2.187 10.227 5.249 468 HE2 LYS 61 HE2 LYS 61 0.195 12.068 4.739 469 HE3 LYS 61 HE3 LYS 61 -0.995 12.341 6.005 470 HZ1 LYS 61 HZ1 LYS 61 1.021 11.192 6.809 471 HZ2 LYS 61 HZ2 LYS 61 0.719 9.919 5.853 472 HZ3 LYS 61 HZ3 LYS 61 -0.354 10.303 7.053 473 H VAL 62 H VAL 62 -0.985 11.295 0.230 474 HA VAL 62 HA VAL 62 1.045 13.096 -0.859 475 HB VAL 62 HB VAL 62 0.799 11.059 -2.298 476 HG11 VAL 62 HG11 VAL 62 -1.263 10.660 -3.552 477 HG12 VAL 62 HG12 VAL 62 -1.562 10.563 -1.809 478 HG13 VAL 62 HG13 VAL 62 -2.064 12.000 -2.719 479 HG21 VAL 62 HG21 VAL 62 1.460 13.253 -3.287 480 HG22 VAL 62 HG22 VAL 62 0.747 12.083 -4.398 481 HG23 VAL 62 HG23 VAL 62 -0.227 13.447 -3.847 482 H GLY 63 H GLY 63 -0.428 14.660 -2.476 483 HA2 GLY 63 HA2 GLY 63 -2.337 15.926 -2.737 484 HA3 GLY 63 HA3 GLY 63 -2.964 15.354 -1.182 485 H LEU 64 H LEU 64 -1.136 16.043 0.602 486 HA LEU 64 HA LEU 64 -1.367 19.018 0.535 487 HB2 LEU 64 HB2 LEU 64 -1.114 17.074 2.840 488 HB3 LEU 64 HB3 LEU 64 -0.811 18.791 3.020 489 HG LEU 64 HG LEU 64 -3.136 19.188 1.976 490 HD11 LEU 64 HD11 LEU 64 -3.318 16.211 2.598 491 HD12 LEU 64 HD12 LEU 64 -3.749 17.041 1.089 492 HD13 LEU 64 HD13 LEU 64 -4.747 17.257 2.522 493 HD21 LEU 64 HD21 LEU 64 -2.605 19.576 4.315 494 HD22 LEU 64 HD22 LEU 64 -2.898 17.859 4.693 495 HD23 LEU 64 HD23 LEU 64 -4.241 18.893 4.137 496 H ALA 65 H ALA 65 0.360 20.251 1.742 497 HA ALA 65 HA ALA 65 3.086 19.308 1.104 498 HB1 ALA 65 HB1 ALA 65 1.733 21.924 0.328 499 HB2 ALA 65 HB2 ALA 65 3.473 21.665 0.230 500 HB3 ALA 65 HB3 ALA 65 2.382 20.685 -0.771 501 H ALA 66 H ALA 66 4.702 20.534 2.133 502 HA ALA 66 HA ALA 66 5.802 21.061 4.032 503 HB1 ALA 66 HB1 ALA 66 5.272 23.378 4.826 504 HB2 ALA 66 HB2 ALA 66 5.456 23.225 3.062 505 HB3 ALA 66 HB3 ALA 66 3.840 23.354 3.771 506 H ALA 67 H ALA 67 4.661 19.042 4.901 507 HA ALA 67 HA ALA 67 4.085 19.356 7.641 508 HB1 ALA 67 HB1 ALA 67 1.817 19.968 6.977 509 HB2 ALA 67 HB2 ALA 67 1.741 18.606 5.826 510 HB3 ALA 67 HB3 ALA 67 1.809 18.305 7.585 511 H1 THR 101 H THR 101 2.131 -13.567 11.534 512 HA THR 101 HA THR 101 -0.073 -12.753 11.397 513 HB THR 101 HB THR 101 0.547 -10.376 11.386 514 HG1 THR 101 HG1 THR 101 -1.283 -9.821 10.357 515 HG21 THR 101 HG21 THR 101 0.900 -9.148 9.322 516 HG22 THR 101 HG22 THR 101 0.963 -10.645 8.379 517 HG23 THR 101 HG23 THR 101 2.234 -10.291 9.581 518 H LYS 102 H LYS 102 -1.327 -13.886 10.005 519 HA LYS 102 HA LYS 102 -0.193 -15.648 8.133 520 HB2 LYS 102 HB2 LYS 102 -2.982 -14.576 8.582 521 HB3 LYS 102 HB3 LYS 102 -2.691 -15.676 7.251 522 HG2 LYS 102 HG2 LYS 102 -1.616 -16.610 9.889 523 HG3 LYS 102 HG3 LYS 102 -3.362 -16.412 9.826 524 HD2 LYS 102 HD2 LYS 102 -2.740 -18.714 9.243 525 HD3 LYS 102 HD3 LYS 102 -3.531 -17.896 7.881 526 HE2 LYS 102 HE2 LYS 102 -1.226 -17.323 7.013 527 HE3 LYS 102 HE3 LYS 102 -0.534 -18.353 8.248 528 HZ1 LYS 102 HZ1 LYS 102 -2.322 -19.162 6.055 529 HZ2 LYS 102 HZ2 LYS 102 -1.800 -20.211 7.234 530 HZ3 LYS 102 HZ3 LYS 102 -0.734 -19.486 6.189 531 H GLY 103 H GLY 103 0.539 -15.411 6.071 532 HA2 GLY 103 HA2 GLY 103 0.587 -14.586 3.879 533 HA3 GLY 103 HA3 GLY 103 -0.472 -13.263 4.333 534 HA PRO 104 HA PRO 104 4.026 -12.068 5.710 535 HB2 PRO 104 HB2 PRO 104 6.071 -12.987 4.124 536 HB3 PRO 104 HB3 PRO 104 5.459 -13.899 5.540 537 HG2 PRO 104 HG2 PRO 104 4.715 -14.266 2.621 538 HG3 PRO 104 HG3 PRO 104 5.195 -15.519 3.813 539 HD2 PRO 104 HD2 PRO 104 2.589 -14.978 3.216 540 HD3 PRO 104 HD3 PRO 104 3.088 -15.408 4.883 541 H ALA 105 H ALA 105 5.102 -10.270 4.872 542 HA ALA 105 HA ALA 105 3.984 -9.055 2.457 543 HB1 ALA 105 HB1 ALA 105 3.844 -7.794 4.530 544 HB2 ALA 105 HB2 ALA 105 5.569 -8.074 4.878 545 HB3 ALA 105 HB3 ALA 105 5.101 -7.006 3.580 546 HA PRO 106 HA PRO 106 7.777 -9.160 0.091 547 HB2 PRO 106 HB2 PRO 106 7.871 -6.557 -0.946 548 HB3 PRO 106 HB3 PRO 106 6.796 -7.880 -1.465 549 HG2 PRO 106 HG2 PRO 106 6.172 -5.586 0.344 550 HG3 PRO 106 HG3 PRO 106 5.213 -6.266 -1.018 551 HD2 PRO 106 HD2 PRO 106 4.713 -6.866 1.573 552 HD3 PRO 106 HD3 PRO 106 4.485 -8.054 0.284 553 H ASN 107 H ASN 107 7.429 -7.009 2.474 554 HA ASN 107 HA ASN 107 9.571 -5.375 2.893 555 HB2 ASN 107 HB2 ASN 107 7.614 -5.779 4.475 556 HB3 ASN 107 HB3 ASN 107 8.543 -7.128 5.143 557 HD21 ASN 107 HD21 ASN 107 8.416 -3.598 4.767 558 HD22 ASN 107 HD22 ASN 107 9.642 -3.200 5.912 559 HA PRO 108 HA PRO 108 11.739 -4.785 4.682 560 HB2 PRO 108 HB2 PRO 108 14.214 -4.361 3.489 561 HB3 PRO 108 HB3 PRO 108 13.898 -5.035 5.118 562 HG2 PRO 108 HG2 PRO 108 14.408 -6.521 2.533 563 HG3 PRO 108 HG3 PRO 108 15.110 -6.812 4.162 564 HD2 PRO 108 HD2 PRO 108 13.049 -8.300 3.277 565 HD3 PRO 108 HD3 PRO 108 13.050 -7.721 4.969 566 HA PRO 109 HA PRO 109 10.383 -2.516 1.235 567 HB2 PRO 109 HB2 PRO 109 11.131 0.044 1.799 568 HB3 PRO 109 HB3 PRO 109 9.923 -0.839 2.762 569 HG2 PRO 109 HG2 PRO 109 12.861 -0.458 3.387 570 HG3 PRO 109 HG3 PRO 109 11.452 -0.280 4.480 571 HD2 PRO 109 HD2 PRO 109 12.969 -2.536 4.379 572 HD3 PRO 109 HD3 PRO 109 11.231 -2.542 4.766 573 HA PRO 110 HA PRO 110 13.641 -2.323 -1.665 574 HB2 PRO 110 HB2 PRO 110 12.829 -0.585 -3.606 575 HB3 PRO 110 HB3 PRO 110 12.009 -2.130 -3.273 576 HG2 PRO 110 HG2 PRO 110 11.170 0.623 -2.385 577 HG3 PRO 110 HG3 PRO 110 10.166 -0.716 -3.018 578 HD2 PRO 110 HD2 PRO 110 10.501 -0.132 -0.323 579 HD3 PRO 110 HD3 PRO 110 10.089 -1.750 -0.941 580 H ILE 111 H ILE 111 12.793 1.150 -1.813 581 HA ILE 111 HA ILE 111 15.323 1.991 -0.580 582 HB ILE 111 HB ILE 111 15.580 3.515 -2.635 583 HG12 ILE 111 HG12 ILE 111 13.672 1.508 -3.963 584 HG13 ILE 111 HG13 ILE 111 13.256 3.152 -3.534 585 HG21 ILE 111 HG21 ILE 111 15.917 0.574 -3.267 586 HG22 ILE 111 HG22 ILE 111 16.900 1.947 -3.804 587 HG23 ILE 111 HG23 ILE 111 16.940 1.441 -2.116 588 HD11 ILE 111 HD11 ILE 111 15.008 3.964 -5.117 589 HD12 ILE 111 HD12 ILE 111 15.346 2.276 -5.565 590 HD13 ILE 111 HD13 ILE 111 13.757 2.975 -5.892 591 H LEU 112 H LEU 112 15.129 4.646 -1.008 592 HA LEU 112 HA LEU 112 14.361 6.477 0.015 593 HB2 LEU 112 HB2 LEU 112 11.897 5.696 -1.568 594 HB3 LEU 112 HB3 LEU 112 12.115 7.234 -0.777 595 HG LEU 112 HG LEU 112 12.515 7.648 -2.993 596 HD11 LEU 112 HD11 LEU 112 15.311 7.353 -1.831 597 HD12 LEU 112 HD12 LEU 112 14.171 8.675 -1.475 598 HD13 LEU 112 HD13 LEU 112 14.788 8.444 -3.121 599 HD21 LEU 112 HD21 LEU 112 14.460 5.342 -3.207 600 HD22 LEU 112 HD22 LEU 112 14.044 6.481 -4.478 601 HD23 LEU 112 HD23 LEU 112 12.809 5.378 -3.893 602 H LYS 113 H LYS 113 14.600 5.352 2.126 603 HA LYS 113 HA LYS 113 12.024 4.780 3.451 604 HB2 LYS 113 HB2 LYS 113 13.278 4.032 5.334 605 HB3 LYS 113 HB3 LYS 113 13.899 3.250 3.899 606 HG2 LYS 113 HG2 LYS 113 15.922 4.441 3.926 607 HG3 LYS 113 HG3 LYS 113 15.299 5.698 5.016 608 HD2 LYS 113 HD2 LYS 113 15.145 4.170 6.867 609 HD3 LYS 113 HD3 LYS 113 15.531 2.777 5.863 610 HE2 LYS 113 HE2 LYS 113 17.487 5.071 5.891 611 HE3 LYS 113 HE3 LYS 113 17.382 4.063 7.347 612 HZ1 LYS 113 HZ1 LYS 113 17.656 2.768 4.728 613 HZ2 LYS 113 HZ2 LYS 113 17.971 2.199 6.212 614 HZ3 LYS 113 HZ3 LYS 113 18.985 3.335 5.570 615 H VAL 114 H VAL 114 11.899 5.651 5.792 616 HA VAL 114 HA VAL 114 12.561 8.556 5.897 617 HB VAL 114 HB VAL 114 10.534 8.952 7.041 618 HG11 VAL 114 HG11 VAL 114 8.891 8.488 5.368 619 HG12 VAL 114 HG12 VAL 114 10.432 8.802 4.555 620 HG13 VAL 114 HG13 VAL 114 9.828 7.140 4.709 621 HG21 VAL 114 HG21 VAL 114 10.218 7.106 8.494 622 HG22 VAL 114 HG22 VAL 114 8.825 7.118 7.410 623 HG23 VAL 114 HG23 VAL 114 10.133 5.948 7.165 624 H TRP 115 H TRP 115 13.613 5.727 7.123 625 HA TRP 115 HA TRP 115 14.924 5.079 8.820 626 HB2 TRP 115 HB2 TRP 115 14.961 7.972 9.713 627 HB3 TRP 115 HB3 TRP 115 15.751 6.665 10.551 628 HD1 TRP 115 HD1 TRP 115 15.932 8.528 7.245 629 HE1 TRP 115 HE1 TRP 115 18.303 8.298 6.228 630 HE3 TRP 115 HE3 TRP 115 17.959 5.341 10.666 631 HZ2 TRP 115 HZ2 TRP 115 20.847 7.235 7.082 632 HZ3 TRP 115 HZ3 TRP 115 20.371 4.832 10.633 633 HH2 TRP 115 HH2 TRP 115 21.836 5.762 8.839 Start of MODEL 8 1 H1 MET 1 H MET 1 -19.757 10.848 12.369 2 HA MET 1 HA MET 1 -17.510 9.943 12.027 3 HB2 MET 1 HB2 MET 1 -17.611 8.214 13.665 4 HB3 MET 1 HB3 MET 1 -18.771 9.459 14.078 5 HG2 MET 1 HG2 MET 1 -20.548 7.938 13.038 6 HG3 MET 1 HG3 MET 1 -19.301 6.691 13.007 7 HE1 MET 1 HE1 MET 1 -21.691 5.578 15.920 8 HE2 MET 1 HE2 MET 1 -22.213 6.500 14.506 9 HE3 MET 1 HE3 MET 1 -21.035 5.187 14.316 10 H LYS 2 H LYS 2 -16.359 9.092 10.357 11 HA LYS 2 HA LYS 2 -17.336 6.666 8.999 12 HB2 LYS 2 HB2 LYS 2 -16.675 9.340 7.647 13 HB3 LYS 2 HB3 LYS 2 -16.706 7.798 6.798 14 HG2 LYS 2 HG2 LYS 2 -19.114 7.516 7.418 15 HG3 LYS 2 HG3 LYS 2 -19.086 9.153 8.097 16 HD2 LYS 2 HD2 LYS 2 -18.357 10.049 5.880 17 HD3 LYS 2 HD3 LYS 2 -18.393 8.399 5.223 18 HE2 LYS 2 HE2 LYS 2 -20.827 8.278 5.898 19 HE3 LYS 2 HE3 LYS 2 -20.761 10.006 6.282 20 HZ1 LYS 2 HZ1 LYS 2 -20.216 10.438 3.981 21 HZ2 LYS 2 HZ2 LYS 2 -21.574 9.529 4.026 22 HZ3 LYS 2 HZ3 LYS 2 -20.164 8.821 3.627 23 H VAL 3 H VAL 3 -15.587 5.854 7.550 24 HA VAL 3 HA VAL 3 -12.872 6.743 8.335 25 HB VAL 3 HB VAL 3 -13.330 4.965 9.771 26 HG11 VAL 3 HG11 VAL 3 -15.184 3.805 8.720 27 HG12 VAL 3 HG12 VAL 3 -14.132 3.238 7.408 28 HG13 VAL 3 HG13 VAL 3 -13.868 2.695 9.083 29 HG21 VAL 3 HG21 VAL 3 -11.584 3.906 7.523 30 HG22 VAL 3 HG22 VAL 3 -11.102 5.125 8.730 31 HG23 VAL 3 HG23 VAL 3 -11.512 3.493 9.256 32 HA PRO 4 HA PRO 4 -13.616 6.694 3.783 33 HB2 PRO 4 HB2 PRO 4 -12.241 8.965 3.148 34 HB3 PRO 4 HB3 PRO 4 -13.908 9.002 3.796 35 HG2 PRO 4 HG2 PRO 4 -11.317 9.365 5.319 36 HG3 PRO 4 HG3 PRO 4 -12.781 10.381 5.386 37 HD2 PRO 4 HD2 PRO 4 -12.212 8.427 7.212 38 HD3 PRO 4 HD3 PRO 4 -13.898 8.802 6.730 39 H GLY 5 H GLY 5 -11.926 6.469 1.991 40 HA2 GLY 5 HA2 GLY 5 -9.819 4.819 2.915 41 HA3 GLY 5 HA3 GLY 5 -10.106 5.387 1.252 42 H VAL 6 H VAL 6 -7.499 5.223 2.283 43 HA VAL 6 HA VAL 6 -6.728 8.117 2.555 44 HB VAL 6 HB VAL 6 -5.397 5.638 3.721 45 HG11 VAL 6 HG11 VAL 6 -3.838 7.221 4.792 46 HG12 VAL 6 HG12 VAL 6 -3.715 7.285 3.031 47 HG13 VAL 6 HG13 VAL 6 -4.582 8.566 3.897 48 HG21 VAL 6 HG21 VAL 6 -5.972 6.517 5.905 49 HG22 VAL 6 HG22 VAL 6 -6.705 7.962 5.171 50 HG23 VAL 6 HG23 VAL 6 -7.469 6.397 4.963 51 H ARG 7 H ARG 7 -5.866 8.715 0.592 52 HA ARG 7 HA ARG 7 -5.205 6.582 -1.297 53 HB2 ARG 7 HB2 ARG 7 -5.285 8.024 -2.966 54 HB3 ARG 7 HB3 ARG 7 -6.328 8.893 -1.872 55 HG2 ARG 7 HG2 ARG 7 -3.390 9.525 -2.369 56 HG3 ARG 7 HG3 ARG 7 -4.717 10.248 -3.227 57 HD2 ARG 7 HD2 ARG 7 -4.147 10.563 -0.250 58 HD3 ARG 7 HD3 ARG 7 -3.910 11.770 -1.512 59 HE ARG 7 HE ARG 7 -6.288 11.312 -0.053 60 HH11 ARG 7 HH11 ARG 7 -5.181 12.395 -3.283 61 HH12 ARG 7 HH12 ARG 7 -6.704 13.126 -3.629 62 HH21 ARG 7 HH21 ARG 7 -8.315 12.017 -0.685 63 HH22 ARG 7 HH22 ARG 7 -8.574 12.765 -2.215 64 H VAL 8 H VAL 8 -3.270 5.680 -1.485 65 HA VAL 8 HA VAL 8 -0.920 7.178 -0.472 66 HB VAL 8 HB VAL 8 0.027 5.086 0.392 67 HG11 VAL 8 HG11 VAL 8 -2.643 5.764 1.689 68 HG12 VAL 8 HG12 VAL 8 -1.239 5.018 2.466 69 HG13 VAL 8 HG13 VAL 8 -1.144 6.689 1.903 70 HG21 VAL 8 HG21 VAL 8 -1.411 3.170 0.931 71 HG22 VAL 8 HG22 VAL 8 -2.753 3.910 0.040 72 HG23 VAL 8 HG23 VAL 8 -1.264 3.412 -0.817 73 H ARG 9 H ARG 9 0.831 7.064 -1.800 74 HA ARG 9 HA ARG 9 0.255 6.005 -4.492 75 HB2 ARG 9 HB2 ARG 9 0.663 8.437 -4.218 76 HB3 ARG 9 HB3 ARG 9 2.296 8.086 -3.642 77 HG2 ARG 9 HG2 ARG 9 2.765 6.965 -5.854 78 HG3 ARG 9 HG3 ARG 9 1.099 7.315 -6.343 79 HD2 ARG 9 HD2 ARG 9 2.533 8.953 -7.355 80 HD3 ARG 9 HD3 ARG 9 1.577 9.769 -6.107 81 HE ARG 9 HE ARG 9 4.056 8.826 -5.026 82 HH11 ARG 9 HH11 ARG 9 2.972 11.321 -7.362 83 HH12 ARG 9 HH12 ARG 9 4.358 12.320 -7.060 84 HH21 ARG 9 HH21 ARG 9 5.832 10.187 -4.665 85 HH22 ARG 9 HH22 ARG 9 6.024 11.656 -5.525 86 H ALA 10 H ALA 10 1.370 4.407 -5.250 87 HA ALA 10 HA ALA 10 3.251 2.934 -3.597 88 HB1 ALA 10 HB1 ALA 10 3.418 1.545 -5.746 89 HB2 ALA 10 HB2 ALA 10 1.796 1.667 -5.018 90 HB3 ALA 10 HB3 ALA 10 2.214 2.650 -6.430 91 H LEU 11 H LEU 11 5.366 3.280 -3.394 92 HA LEU 11 HA LEU 11 6.746 5.255 -4.954 93 HB2 LEU 11 HB2 LEU 11 7.585 3.168 -2.906 94 HB3 LEU 11 HB3 LEU 11 8.718 4.323 -3.589 95 HG LEU 11 HG LEU 11 6.152 5.419 -2.413 96 HD11 LEU 11 HD11 LEU 11 6.755 3.890 -0.674 97 HD12 LEU 11 HD12 LEU 11 7.193 5.526 -0.159 98 HD13 LEU 11 HD13 LEU 11 8.442 4.398 -0.714 99 HD21 LEU 11 HD21 LEU 11 7.617 7.297 -1.814 100 HD22 LEU 11 HD22 LEU 11 7.753 6.919 -3.541 101 HD23 LEU 11 HD23 LEU 11 9.030 6.434 -2.423 102 H TYR 12 H TYR 12 6.412 1.747 -5.406 103 HA TYR 12 HA TYR 12 7.907 1.865 -7.879 104 HB2 TYR 12 HB2 TYR 12 9.084 -0.408 -6.784 105 HB3 TYR 12 HB3 TYR 12 9.872 1.089 -7.178 106 HD1 TYR 12 HD1 TYR 12 7.648 -0.111 -4.433 107 HD2 TYR 12 HD2 TYR 12 11.373 1.881 -5.390 108 HE1 TYR 12 HE1 TYR 12 8.149 0.184 -2.047 109 HE2 TYR 12 HE2 TYR 12 11.922 1.985 -3.084 110 HH TYR 12 HH TYR 12 9.617 1.127 -0.415 111 H ASP 13 H ASP 13 7.706 -0.245 -9.028 112 HA ASP 13 HA ASP 13 5.031 -1.261 -8.885 113 HB2 ASP 13 HB2 ASP 13 7.231 -2.223 -10.750 114 HB3 ASP 13 HB3 ASP 13 5.495 -2.196 -11.012 115 H TYR 14 H TYR 14 4.584 -2.747 -7.268 116 HA TYR 14 HA TYR 14 5.991 -5.347 -7.250 117 HB2 TYR 14 HB2 TYR 14 5.781 -3.431 -4.920 118 HB3 TYR 14 HB3 TYR 14 5.474 -5.121 -4.605 119 HD1 TYR 14 HD1 TYR 14 7.314 -6.494 -3.891 120 HD2 TYR 14 HD2 TYR 14 8.031 -2.948 -6.286 121 HE1 TYR 14 HE1 TYR 14 9.684 -7.054 -4.033 122 HE2 TYR 14 HE2 TYR 14 10.424 -3.446 -6.327 123 HH TYR 14 HH TYR 14 11.940 -5.250 -6.092 124 H THR 15 H THR 15 4.499 -7.094 -6.336 125 HA THR 15 HA THR 15 1.698 -6.191 -5.963 126 HB THR 15 HB THR 15 1.582 -6.668 -8.217 127 HG1 THR 15 HG1 THR 15 0.116 -7.917 -6.741 128 HG21 THR 15 HG21 THR 15 3.697 -7.717 -8.719 129 HG22 THR 15 HG22 THR 15 2.390 -8.768 -9.283 130 HG23 THR 15 HG23 THR 15 3.252 -9.161 -7.789 131 H GLY 16 H GLY 16 2.156 -6.478 -3.820 132 HA2 GLY 16 HA2 GLY 16 2.226 -7.677 -1.818 133 HA3 GLY 16 HA3 GLY 16 1.233 -8.857 -2.705 134 H GLN 17 H GLN 17 2.085 -10.643 -1.724 135 HA GLN 17 HA GLN 17 4.827 -11.416 -2.483 136 HB2 GLN 17 HB2 GLN 17 5.320 -12.376 -0.392 137 HB3 GLN 17 HB3 GLN 17 4.720 -10.787 -0.039 138 HG2 GLN 17 HG2 GLN 17 3.483 -11.839 1.532 139 HG3 GLN 17 HG3 GLN 17 2.372 -12.150 0.212 140 HE21 GLN 17 HE21 GLN 17 5.391 -13.640 1.553 141 HE22 GLN 17 HE22 GLN 17 4.810 -15.303 1.478 142 H GLU 18 H GLU 18 1.449 -12.061 -2.736 143 HA GLU 18 HA GLU 18 2.002 -14.721 -3.746 144 HB2 GLU 18 HB2 GLU 18 0.783 -14.128 -1.127 145 HB3 GLU 18 HB3 GLU 18 -0.381 -14.929 -2.171 146 HG2 GLU 18 HG2 GLU 18 2.436 -16.027 -1.898 147 HG3 GLU 18 HG3 GLU 18 1.188 -16.378 -0.704 148 H ALA 19 H ALA 19 -0.120 -15.579 -4.663 149 HA ALA 19 HA ALA 19 -1.095 -13.666 -6.599 150 HB1 ALA 19 HB1 ALA 19 -0.661 -16.081 -7.053 151 HB2 ALA 19 HB2 ALA 19 -2.011 -16.514 -5.980 152 HB3 ALA 19 HB3 ALA 19 -2.310 -15.602 -7.478 153 H ASP 20 H ASP 20 -2.108 -14.099 -3.407 154 HA ASP 20 HA ASP 20 -5.003 -13.707 -3.896 155 HB2 ASP 20 HB2 ASP 20 -3.290 -14.907 -1.829 156 HB3 ASP 20 HB3 ASP 20 -4.430 -13.768 -1.129 157 H GLU 21 H GLU 21 -2.344 -11.804 -3.613 158 HA GLU 21 HA GLU 21 -3.490 -9.587 -2.120 159 HB2 GLU 21 HB2 GLU 21 -0.787 -10.316 -3.298 160 HB3 GLU 21 HB3 GLU 21 -1.081 -8.750 -2.592 161 HG2 GLU 21 HG2 GLU 21 0.035 -10.530 -1.137 162 HG3 GLU 21 HG3 GLU 21 -1.226 -9.526 -0.444 163 H LEU 22 H LEU 22 -2.811 -7.419 -3.012 164 HA LEU 22 HA LEU 22 -4.217 -6.834 -5.501 165 HB2 LEU 22 HB2 LEU 22 -4.431 -5.593 -3.241 166 HB3 LEU 22 HB3 LEU 22 -2.794 -5.062 -3.462 167 HG LEU 22 HG LEU 22 -3.952 -4.132 -5.769 168 HD11 LEU 22 HD11 LEU 22 -6.057 -3.068 -5.225 169 HD12 LEU 22 HD12 LEU 22 -6.091 -3.898 -3.663 170 HD13 LEU 22 HD13 LEU 22 -6.162 -4.830 -5.184 171 HD21 LEU 22 HD21 LEU 22 -2.456 -2.916 -4.274 172 HD22 LEU 22 HD22 LEU 22 -3.837 -2.581 -3.213 173 HD23 LEU 22 HD23 LEU 22 -3.820 -1.957 -4.842 174 H SER 23 H SER 23 -3.080 -5.293 -7.085 175 HA SER 23 HA SER 23 -0.112 -5.575 -7.154 176 HB2 SER 23 HB2 SER 23 -0.463 -5.778 -9.651 177 HB3 SER 23 HB3 SER 23 -0.961 -7.175 -8.701 178 HG SER 23 HG SER 23 -3.120 -6.469 -8.843 179 H PHE 24 H PHE 24 0.924 -3.575 -7.343 180 HA PHE 24 HA PHE 24 -0.659 -1.376 -8.567 181 HB2 PHE 24 HB2 PHE 24 0.145 0.168 -6.891 182 HB3 PHE 24 HB3 PHE 24 -0.953 -1.041 -6.266 183 HD1 PHE 24 HD1 PHE 24 2.805 -0.632 -6.674 184 HD2 PHE 24 HD2 PHE 24 -0.476 -1.717 -4.075 185 HE1 PHE 24 HE1 PHE 24 4.386 -1.004 -4.813 186 HE2 PHE 24 HE2 PHE 24 1.134 -1.883 -2.185 187 HZ PHE 24 HZ PHE 24 3.532 -1.583 -2.564 188 H LYS 25 H LYS 25 0.740 0.376 -9.354 189 HA LYS 25 HA LYS 25 3.464 -0.522 -10.186 190 HB2 LYS 25 HB2 LYS 25 1.207 0.804 -11.720 191 HB3 LYS 25 HB3 LYS 25 2.875 1.194 -12.104 192 HG2 LYS 25 HG2 LYS 25 2.130 -0.497 -13.565 193 HG3 LYS 25 HG3 LYS 25 3.400 -1.150 -12.542 194 HD2 LYS 25 HD2 LYS 25 1.807 -2.472 -11.293 195 HD3 LYS 25 HD3 LYS 25 0.423 -1.658 -12.091 196 HE2 LYS 25 HE2 LYS 25 1.126 -2.496 -14.265 197 HE3 LYS 25 HE3 LYS 25 2.637 -3.113 -13.590 198 HZ1 LYS 25 HZ1 LYS 25 1.164 -4.885 -13.912 199 HZ2 LYS 25 HZ2 LYS 25 -0.050 -4.192 -13.035 200 HZ3 LYS 25 HZ3 LYS 25 1.339 -4.695 -12.299 201 H ALA 26 H ALA 26 4.917 1.375 -10.598 202 HA ALA 26 HA ALA 26 5.026 3.062 -8.303 203 HB1 ALA 26 HB1 ALA 26 6.986 2.459 -9.680 204 HB2 ALA 26 HB2 ALA 26 6.357 3.407 -11.029 205 HB3 ALA 26 HB3 ALA 26 6.832 4.220 -9.513 206 H GLY 27 H GLY 27 3.788 4.805 -7.852 207 HA2 GLY 27 HA2 GLY 27 3.008 6.992 -8.308 208 HA3 GLY 27 HA3 GLY 27 2.879 6.625 -10.019 209 H GLU 28 H GLU 28 1.540 3.903 -8.735 210 HA GLU 28 HA GLU 28 -1.132 4.769 -9.322 211 HB2 GLU 28 HB2 GLU 28 0.037 2.224 -8.078 212 HB3 GLU 28 HB3 GLU 28 -1.695 2.447 -8.302 213 HG2 GLU 28 HG2 GLU 28 0.333 2.620 -10.571 214 HG3 GLU 28 HG3 GLU 28 -0.636 1.190 -10.162 215 H GLU 29 H GLU 29 -2.842 5.243 -8.033 216 HA GLU 29 HA GLU 29 -2.274 5.804 -5.173 217 HB2 GLU 29 HB2 GLU 29 -4.182 6.949 -7.220 218 HB3 GLU 29 HB3 GLU 29 -4.506 7.111 -5.491 219 HG2 GLU 29 HG2 GLU 29 -2.546 8.352 -5.078 220 HG3 GLU 29 HG3 GLU 29 -1.802 7.884 -6.599 221 H LEU 30 H LEU 30 -2.854 4.174 -3.961 222 HA LEU 30 HA LEU 30 -5.345 2.654 -4.602 223 HB2 LEU 30 HB2 LEU 30 -4.343 1.056 -2.916 224 HB3 LEU 30 HB3 LEU 30 -3.740 0.983 -4.578 225 HG LEU 30 HG LEU 30 -2.243 2.426 -2.401 226 HD11 LEU 30 HD11 LEU 30 -2.124 -0.503 -3.210 227 HD12 LEU 30 HD12 LEU 30 -2.641 0.125 -1.652 228 HD13 LEU 30 HD13 LEU 30 -0.953 0.299 -2.135 229 HD21 LEU 30 HD21 LEU 30 -1.405 2.861 -4.699 230 HD22 LEU 30 HD22 LEU 30 -1.342 1.123 -5.018 231 HD23 LEU 30 HD23 LEU 30 -0.267 1.870 -3.815 232 H MET 31 H MET 31 -6.984 2.723 -3.131 233 HA MET 31 HA MET 31 -6.651 4.602 -0.900 234 HB2 MET 31 HB2 MET 31 -9.264 3.320 -1.745 235 HB3 MET 31 HB3 MET 31 -8.951 4.729 -0.731 236 HG2 MET 31 HG2 MET 31 -7.688 5.529 -2.997 237 HG3 MET 31 HG3 MET 31 -8.910 4.464 -3.690 238 HE1 MET 31 HE1 MET 31 -9.315 8.679 -2.171 239 HE2 MET 31 HE2 MET 31 -8.321 7.542 -1.223 240 HE3 MET 31 HE3 MET 31 -7.977 7.812 -2.950 241 H LYS 32 H LYS 32 -5.935 3.745 0.915 242 HA LYS 32 HA LYS 32 -6.143 0.974 1.630 243 HB2 LYS 32 HB2 LYS 32 -4.441 2.474 2.472 244 HB3 LYS 32 HB3 LYS 32 -5.651 3.514 3.218 245 HG2 LYS 32 HG2 LYS 32 -6.315 1.105 4.432 246 HG3 LYS 32 HG3 LYS 32 -4.580 0.908 4.188 247 HD2 LYS 32 HD2 LYS 32 -4.573 1.903 6.250 248 HD3 LYS 32 HD3 LYS 32 -4.463 3.356 5.270 249 HE2 LYS 32 HE2 LYS 32 -6.981 2.176 6.567 250 HE3 LYS 32 HE3 LYS 32 -6.085 3.570 7.122 251 HZ1 LYS 32 HZ1 LYS 32 -6.696 4.683 5.092 252 HZ2 LYS 32 HZ2 LYS 32 -7.982 4.258 6.001 253 HZ3 LYS 32 HZ3 LYS 32 -7.644 3.406 4.628 254 H ILE 33 H ILE 33 -7.894 -0.124 2.648 255 HA ILE 33 HA ILE 33 -10.043 1.616 3.742 256 HB ILE 33 HB ILE 33 -11.599 0.256 2.857 257 HG12 ILE 33 HG12 ILE 33 -9.703 -1.848 1.797 258 HG13 ILE 33 HG13 ILE 33 -10.548 -2.012 3.311 259 HG21 ILE 33 HG21 ILE 33 -11.543 0.589 0.586 260 HG22 ILE 33 HG22 ILE 33 -10.363 1.752 1.212 261 HG23 ILE 33 HG23 ILE 33 -9.823 0.240 0.465 262 HD11 ILE 33 HD11 ILE 33 -12.710 -1.964 2.184 263 HD12 ILE 33 HD12 ILE 33 -11.903 -1.713 0.616 264 HD13 ILE 33 HD13 ILE 33 -11.643 -3.222 1.500 265 H SER 34 H SER 34 -7.653 -0.155 4.962 266 HA SER 34 HA SER 34 -9.238 -0.990 7.285 267 HB2 SER 34 HB2 SER 34 -9.052 -2.893 5.490 268 HB3 SER 34 HB3 SER 34 -7.347 -2.972 5.943 269 HG SER 34 HG SER 34 -9.471 -4.048 7.117 270 H GLU 35 H GLU 35 -7.399 -2.076 8.834 271 HA GLU 35 HA GLU 35 -5.494 0.096 9.330 272 HB2 GLU 35 HB2 GLU 35 -5.060 -1.165 11.340 273 HB3 GLU 35 HB3 GLU 35 -6.784 -1.206 11.061 274 HG2 GLU 35 HG2 GLU 35 -6.461 -3.498 9.970 275 HG3 GLU 35 HG3 GLU 35 -4.795 -3.455 10.552 276 H GLU 36 H GLU 36 -3.139 -0.436 9.910 277 HA GLU 36 HA GLU 36 -1.863 -2.083 7.916 278 HB2 GLU 36 HB2 GLU 36 -1.098 0.253 8.451 279 HB3 GLU 36 HB3 GLU 36 -0.765 -0.282 10.110 280 HG2 GLU 36 HG2 GLU 36 0.849 -1.980 9.201 281 HG3 GLU 36 HG3 GLU 36 0.515 -1.395 7.558 282 H ASP 37 H ASP 37 -0.969 -4.029 8.432 283 HA ASP 37 HA ASP 37 -1.530 -5.097 11.137 284 HB2 ASP 37 HB2 ASP 37 -2.073 -6.156 8.680 285 HB3 ASP 37 HB3 ASP 37 -0.517 -6.924 9.024 286 H GLU 38 H GLU 38 0.120 -6.910 11.737 287 HA GLU 38 HA GLU 38 2.441 -5.809 12.704 288 HB2 GLU 38 HB2 GLU 38 3.155 -8.125 13.139 289 HB3 GLU 38 HB3 GLU 38 1.436 -7.882 13.524 290 HG2 GLU 38 HG2 GLU 38 0.851 -8.921 11.310 291 HG3 GLU 38 HG3 GLU 38 2.556 -9.213 11.004 292 H GLN 39 H GLN 39 2.086 -6.977 9.483 293 HA GLN 39 HA GLN 39 5.018 -7.014 9.109 294 HB2 GLN 39 HB2 GLN 39 3.033 -8.927 8.359 295 HB3 GLN 39 HB3 GLN 39 3.557 -8.175 6.876 296 HG2 GLN 39 HG2 GLN 39 5.160 -9.759 8.880 297 HG3 GLN 39 HG3 GLN 39 4.867 -10.095 7.195 298 HE21 GLN 39 HE21 GLN 39 6.776 -8.109 9.445 299 HE22 GLN 39 HE22 GLN 39 7.773 -7.345 8.227 300 H GLY 40 H GLY 40 2.821 -4.741 9.011 301 HA2 GLY 40 HA2 GLY 40 2.766 -2.763 7.864 302 HA3 GLY 40 HA3 GLY 40 4.111 -3.325 6.842 303 H TRP 41 H TRP 41 1.166 -5.292 7.342 304 HA TRP 41 HA TRP 41 0.664 -5.259 4.440 305 HB2 TRP 41 HB2 TRP 41 -0.178 -6.901 6.818 306 HB3 TRP 41 HB3 TRP 41 -1.387 -6.714 5.567 307 HD1 TRP 41 HD1 TRP 41 0.719 -9.207 6.516 308 HE1 TRP 41 HE1 TRP 41 1.237 -10.795 4.552 309 HE3 TRP 41 HE3 TRP 41 -0.291 -6.057 2.639 310 HZ2 TRP 41 HZ2 TRP 41 1.735 -10.474 1.701 311 HZ3 TRP 41 HZ3 TRP 41 0.220 -6.729 0.298 312 HH2 TRP 41 HH2 TRP 41 1.219 -8.866 -0.170 313 H CYS 42 H CYS 42 -1.424 -4.526 3.545 314 HA CYS 42 HA CYS 42 -3.300 -3.263 5.397 315 HB2 CYS 42 HB2 CYS 42 -1.603 -1.794 3.349 316 HB3 CYS 42 HB3 CYS 42 -3.259 -1.261 3.744 317 HG CYS 42 HG CYS 42 -1.065 -1.895 6.054 318 H LYS 43 H LYS 43 -5.349 -3.390 4.555 319 HA LYS 43 HA LYS 43 -5.679 -4.634 1.877 320 HB2 LYS 43 HB2 LYS 43 -6.612 -5.430 4.406 321 HB3 LYS 43 HB3 LYS 43 -8.034 -4.707 3.676 322 HG2 LYS 43 HG2 LYS 43 -6.379 -6.634 2.003 323 HG3 LYS 43 HG3 LYS 43 -7.289 -7.301 3.337 324 HD2 LYS 43 HD2 LYS 43 -9.390 -6.553 2.460 325 HD3 LYS 43 HD3 LYS 43 -8.588 -5.502 1.282 326 HE2 LYS 43 HE2 LYS 43 -9.342 -7.415 0.062 327 HE3 LYS 43 HE3 LYS 43 -7.584 -7.459 0.198 328 HZ1 LYS 43 HZ1 LYS 43 -7.851 -9.141 1.974 329 HZ2 LYS 43 HZ2 LYS 43 -8.468 -9.614 0.557 330 HZ3 LYS 43 HZ3 LYS 43 -9.493 -9.121 1.732 331 H GLY 44 H GLY 44 -6.338 -3.320 0.297 332 HA2 GLY 44 HA2 GLY 44 -8.096 -1.013 0.852 333 HA3 GLY 44 HA3 GLY 44 -6.560 -0.747 0.127 334 H ARG 45 H ARG 45 -8.107 0.127 -1.491 335 HA ARG 45 HA ARG 45 -8.598 -1.883 -3.647 336 HB2 ARG 45 HB2 ARG 45 -10.783 -1.267 -2.433 337 HB3 ARG 45 HB3 ARG 45 -10.395 0.431 -2.717 338 HG2 ARG 45 HG2 ARG 45 -10.652 0.012 -5.197 339 HG3 ARG 45 HG3 ARG 45 -11.246 -1.604 -4.811 340 HD2 ARG 45 HD2 ARG 45 -12.889 -0.358 -3.209 341 HD3 ARG 45 HD3 ARG 45 -12.410 1.097 -4.067 342 HE ARG 45 HE ARG 45 -13.201 0.063 -6.157 343 HH11 ARG 45 HH11 ARG 45 -14.497 -1.330 -3.133 344 HH12 ARG 45 HH12 ARG 45 -16.061 -1.648 -3.818 345 HH21 ARG 45 HH21 ARG 45 -15.144 -0.806 -7.102 346 HH22 ARG 45 HH22 ARG 45 -16.482 -1.129 -6.079 347 H LEU 46 H LEU 46 -8.129 -1.166 -5.632 348 HA LEU 46 HA LEU 46 -6.677 1.413 -5.832 349 HB2 LEU 46 HB2 LEU 46 -6.909 -1.144 -7.406 350 HB3 LEU 46 HB3 LEU 46 -6.498 0.307 -8.311 351 HG LEU 46 HG LEU 46 -5.001 -0.337 -5.787 352 HD11 LEU 46 HD11 LEU 46 -4.900 -2.329 -7.162 353 HD12 LEU 46 HD12 LEU 46 -3.336 -1.494 -7.154 354 HD13 LEU 46 HD13 LEU 46 -4.403 -1.366 -8.575 355 HD21 LEU 46 HD21 LEU 46 -3.228 0.974 -6.920 356 HD22 LEU 46 HD22 LEU 46 -4.723 1.914 -6.822 357 HD23 LEU 46 HD23 LEU 46 -4.250 1.155 -8.354 358 H LEU 47 H LEU 47 -6.975 2.758 -7.733 359 HA LEU 47 HA LEU 47 -9.612 3.680 -8.048 360 HB2 LEU 47 HB2 LEU 47 -8.704 5.132 -9.755 361 HB3 LEU 47 HB3 LEU 47 -7.657 5.065 -8.361 362 HG LEU 47 HG LEU 47 -6.610 3.037 -10.004 363 HD11 LEU 47 HD11 LEU 47 -8.024 3.843 -11.922 364 HD12 LEU 47 HD12 LEU 47 -6.288 4.048 -12.218 365 HD13 LEU 47 HD13 LEU 47 -7.273 5.444 -11.762 366 HD21 LEU 47 HD21 LEU 47 -5.723 5.906 -9.740 367 HD22 LEU 47 HD22 LEU 47 -4.738 4.531 -10.324 368 HD23 LEU 47 HD23 LEU 47 -5.353 4.542 -8.662 369 H THR 48 H THR 48 -7.746 1.367 -10.017 370 HA THR 48 HA THR 48 -9.702 1.109 -12.100 371 HB THR 48 HB THR 48 -7.402 0.576 -12.535 372 HG1 THR 48 HG1 THR 48 -9.020 -1.724 -12.514 373 HG21 THR 48 HG21 THR 48 -7.626 -1.599 -10.398 374 HG22 THR 48 HG22 THR 48 -6.539 -0.192 -10.400 375 HG23 THR 48 HG23 THR 48 -6.298 -1.473 -11.568 376 H GLY 49 H GLY 49 -10.162 0.451 -8.936 377 HA2 GLY 49 HA2 GLY 49 -11.930 -0.644 -7.941 378 HA3 GLY 49 HA3 GLY 49 -12.297 -1.422 -9.488 379 H HIS 50 H HIS 50 -9.127 -2.126 -9.003 380 HA HIS 50 HA HIS 50 -9.575 -4.886 -8.388 381 HB2 HIS 50 HB2 HIS 50 -7.762 -4.120 -9.824 382 HB3 HIS 50 HB3 HIS 50 -7.095 -3.131 -8.533 383 HD1 HIS 50 HD1 HIS 50 -7.912 -6.973 -8.346 384 HD2 HIS 50 HD2 HIS 50 -4.757 -4.178 -8.351 385 HE1 HIS 50 HE1 HIS 50 -5.824 -8.252 -7.710 386 H VAL 51 H VAL 51 -9.180 -6.031 -6.403 387 HA VAL 51 HA VAL 51 -8.517 -4.425 -4.005 388 HB VAL 51 HB VAL 51 -10.224 -5.622 -2.738 389 HG11 VAL 51 HG11 VAL 51 -11.455 -4.123 -5.080 390 HG12 VAL 51 HG12 VAL 51 -12.043 -4.256 -3.410 391 HG13 VAL 51 HG13 VAL 51 -10.559 -3.375 -3.733 392 HG21 VAL 51 HG21 VAL 51 -10.617 -7.629 -4.156 393 HG22 VAL 51 HG22 VAL 51 -12.118 -6.758 -3.785 394 HG23 VAL 51 HG23 VAL 51 -11.380 -6.598 -5.377 395 H GLY 52 H GLY 52 -7.564 -5.572 -2.292 396 HA2 GLY 52 HA2 GLY 52 -7.138 -8.219 -1.931 397 HA3 GLY 52 HA3 GLY 52 -5.880 -7.785 -3.117 398 H LEU 53 H LEU 53 -4.332 -8.230 -1.311 399 HA LEU 53 HA LEU 53 -4.248 -6.216 0.884 400 HB2 LEU 53 HB2 LEU 53 -3.316 -9.013 0.452 401 HB3 LEU 53 HB3 LEU 53 -2.108 -7.964 1.146 402 HG LEU 53 HG LEU 53 -4.843 -8.466 2.330 403 HD11 LEU 53 HD11 LEU 53 -2.039 -9.318 3.194 404 HD12 LEU 53 HD12 LEU 53 -3.191 -10.362 2.380 405 HD13 LEU 53 HD13 LEU 53 -3.581 -9.703 3.991 406 HD21 LEU 53 HD21 LEU 53 -2.529 -6.765 3.313 407 HD22 LEU 53 HD22 LEU 53 -3.802 -7.388 4.384 408 HD23 LEU 53 HD23 LEU 53 -4.231 -6.310 3.079 409 H TYR 54 H TYR 54 -2.398 -4.783 0.970 410 HA TYR 54 HA TYR 54 -0.599 -4.831 -1.367 411 HB2 TYR 54 HB2 TYR 54 -0.802 -2.595 -1.753 412 HB3 TYR 54 HB3 TYR 54 -2.423 -3.129 -1.595 413 HD1 TYR 54 HD1 TYR 54 -3.844 -2.253 0.294 414 HD2 TYR 54 HD2 TYR 54 0.325 -1.179 -0.016 415 HE1 TYR 54 HE1 TYR 54 -4.222 -0.349 1.805 416 HE2 TYR 54 HE2 TYR 54 -0.053 0.613 1.645 417 HH TYR 54 HH TYR 54 -1.502 1.711 3.001 418 HA PRO 55 HA PRO 55 2.147 -4.494 2.225 419 HB2 PRO 55 HB2 PRO 55 4.558 -4.080 1.047 420 HB3 PRO 55 HB3 PRO 55 3.679 -5.633 1.006 421 HG2 PRO 55 HG2 PRO 55 3.841 -3.558 -1.173 422 HG3 PRO 55 HG3 PRO 55 3.985 -5.324 -1.313 423 HD2 PRO 55 HD2 PRO 55 1.597 -4.032 -1.828 424 HD3 PRO 55 HD3 PRO 55 1.715 -5.672 -1.114 425 H ALA 56 H ALA 56 1.814 -2.722 3.467 426 HA ALA 56 HA ALA 56 1.632 -0.037 2.616 427 HB1 ALA 56 HB1 ALA 56 2.307 -0.910 5.454 428 HB2 ALA 56 HB2 ALA 56 1.374 0.490 4.933 429 HB3 ALA 56 HB3 ALA 56 0.695 -1.128 4.777 430 H ASN 57 H ASN 57 4.330 -1.979 3.726 431 HA ASN 57 HA ASN 57 6.275 0.020 4.225 432 HB2 ASN 57 HB2 ASN 57 6.612 -2.790 3.059 433 HB3 ASN 57 HB3 ASN 57 7.933 -1.772 3.617 434 HD21 ASN 57 HD21 ASN 57 6.106 -4.353 4.546 435 HD22 ASN 57 HD22 ASN 57 6.258 -4.160 6.280 436 H TYR 58 H TYR 58 4.859 -0.889 1.164 437 HA TYR 58 HA TYR 58 7.172 0.186 -0.325 438 HB2 TYR 58 HB2 TYR 58 4.923 -1.719 -0.944 439 HB3 TYR 58 HB3 TYR 58 5.756 -0.920 -2.258 440 HD1 TYR 58 HD1 TYR 58 6.517 -3.075 0.762 441 HD2 TYR 58 HD2 TYR 58 7.584 -1.935 -3.259 442 HE1 TYR 58 HE1 TYR 58 8.288 -4.780 0.736 443 HE2 TYR 58 HE2 TYR 58 9.397 -3.544 -3.248 444 HH TYR 58 HH TYR 58 10.156 -5.706 -0.512 445 H VAL 59 H VAL 59 4.361 1.489 0.920 446 HA VAL 59 HA VAL 59 4.215 3.396 -1.349 447 HB VAL 59 HB VAL 59 1.863 3.355 -1.416 448 HG11 VAL 59 HG11 VAL 59 1.222 1.160 -2.084 449 HG12 VAL 59 HG12 VAL 59 2.943 1.246 -2.460 450 HG13 VAL 59 HG13 VAL 59 2.409 0.385 -1.018 451 HG21 VAL 59 HG21 VAL 59 1.886 1.576 1.040 452 HG22 VAL 59 HG22 VAL 59 1.323 3.254 0.975 453 HG23 VAL 59 HG23 VAL 59 0.451 2.014 0.068 454 H GLU 60 H GLU 60 2.989 5.447 -0.637 455 HA GLU 60 HA GLU 60 3.184 5.955 2.242 456 HB2 GLU 60 HB2 GLU 60 4.673 7.796 2.003 457 HB3 GLU 60 HB3 GLU 60 5.458 6.341 1.333 458 HG2 GLU 60 HG2 GLU 60 5.165 7.113 -0.911 459 HG3 GLU 60 HG3 GLU 60 4.089 8.418 -0.404 460 H LYS 61 H LYS 61 2.288 8.194 2.745 461 HA LYS 61 HA LYS 61 -0.177 8.525 1.259 462 HB2 LYS 61 HB2 LYS 61 0.280 8.750 3.760 463 HB3 LYS 61 HB3 LYS 61 1.023 10.313 3.410 464 HG2 LYS 61 HG2 LYS 61 -1.081 11.230 2.681 465 HG3 LYS 61 HG3 LYS 61 -1.848 9.620 2.636 466 HD2 LYS 61 HD2 LYS 61 -1.645 9.363 5.039 467 HD3 LYS 61 HD3 LYS 61 -0.650 10.832 5.162 468 HE2 LYS 61 HE2 LYS 61 -2.573 12.166 4.346 469 HE3 LYS 61 HE3 LYS 61 -3.582 10.700 4.353 470 HZ1 LYS 61 HZ1 LYS 61 -2.237 11.936 6.671 471 HZ2 LYS 61 HZ2 LYS 61 -3.125 10.524 6.731 472 HZ3 LYS 61 HZ3 LYS 61 -3.869 11.933 6.394 473 H VAL 62 H VAL 62 -0.852 10.576 0.226 474 HA VAL 62 HA VAL 62 1.292 12.337 -0.696 475 HB VAL 62 HB VAL 62 1.300 10.351 -2.194 476 HG11 VAL 62 HG11 VAL 62 -1.604 11.063 -2.686 477 HG12 VAL 62 HG12 VAL 62 -0.670 10.101 -3.810 478 HG13 VAL 62 HG13 VAL 62 -0.921 9.515 -2.151 479 HG21 VAL 62 HG21 VAL 62 1.349 11.463 -4.287 480 HG22 VAL 62 HG22 VAL 62 0.268 12.742 -3.740 481 HG23 VAL 62 HG23 VAL 62 1.916 12.609 -3.068 482 H GLY 63 H GLY 63 0.182 14.129 -2.103 483 HA2 GLY 63 HA2 GLY 63 -1.516 15.611 -2.520 484 HA3 GLY 63 HA3 GLY 63 -2.615 14.532 -1.654 485 H LEU 64 H LEU 64 -1.428 14.377 0.733 486 HA LEU 64 HA LEU 64 -2.299 16.921 1.941 487 HB2 LEU 64 HB2 LEU 64 -1.873 14.137 2.911 488 HB3 LEU 64 HB3 LEU 64 -1.425 15.369 4.086 489 HG LEU 64 HG LEU 64 -4.092 15.411 2.631 490 HD11 LEU 64 HD11 LEU 64 -5.026 14.530 4.783 491 HD12 LEU 64 HD12 LEU 64 -3.371 14.178 5.309 492 HD13 LEU 64 HD13 LEU 64 -4.082 13.380 3.858 493 HD21 LEU 64 HD21 LEU 64 -4.763 16.877 4.502 494 HD22 LEU 64 HD22 LEU 64 -3.462 17.592 3.579 495 HD23 LEU 64 HD23 LEU 64 -3.095 16.825 5.138 496 H ALA 65 H ALA 65 -1.044 17.960 3.732 497 HA ALA 65 HA ALA 65 1.416 18.900 2.762 498 HB1 ALA 65 HB1 ALA 65 0.298 18.983 5.605 499 HB2 ALA 65 HB2 ALA 65 1.636 19.972 4.985 500 HB3 ALA 65 HB3 ALA 65 0.014 20.178 4.314 501 H ALA 66 H ALA 66 3.558 18.609 3.404 502 HA ALA 66 HA ALA 66 4.353 15.915 3.881 503 HB1 ALA 66 HB1 ALA 66 5.980 18.489 3.901 504 HB2 ALA 66 HB2 ALA 66 6.624 16.841 3.808 505 HB3 ALA 66 HB3 ALA 66 5.628 17.478 2.485 506 H ALA 67 H ALA 67 3.955 15.034 5.839 507 HA ALA 67 HA ALA 67 4.361 16.549 8.318 508 HB1 ALA 67 HB1 ALA 67 3.723 14.487 9.452 509 HB2 ALA 67 HB2 ALA 67 2.530 14.869 8.202 510 HB3 ALA 67 HB3 ALA 67 3.739 13.579 7.939 511 H1 THR 101 H THR 101 -1.627 -13.264 11.089 512 HA THR 101 HA THR 101 -2.537 -11.663 9.696 513 HB THR 101 HB THR 101 -0.749 -10.010 10.270 514 HG1 THR 101 HG1 THR 101 -2.190 -9.250 8.899 515 HG21 THR 101 HG21 THR 101 1.094 -9.658 8.759 516 HG22 THR 101 HG22 THR 101 0.697 -11.111 7.820 517 HG23 THR 101 HG23 THR 101 1.270 -11.246 9.497 518 H LYS 102 H LYS 102 -2.214 -11.389 7.194 519 HA LYS 102 HA LYS 102 -2.331 -14.035 6.052 520 HB2 LYS 102 HB2 LYS 102 -2.454 -11.224 4.990 521 HB3 LYS 102 HB3 LYS 102 -2.610 -12.606 3.910 522 HG2 LYS 102 HG2 LYS 102 -4.445 -12.539 6.295 523 HG3 LYS 102 HG3 LYS 102 -4.728 -11.363 5.012 524 HD2 LYS 102 HD2 LYS 102 -4.719 -13.229 3.348 525 HD3 LYS 102 HD3 LYS 102 -4.695 -14.382 4.687 526 HE2 LYS 102 HE2 LYS 102 -6.835 -13.479 5.531 527 HE3 LYS 102 HE3 LYS 102 -6.771 -12.192 4.316 528 HZ1 LYS 102 HZ1 LYS 102 -8.174 -13.757 3.365 529 HZ2 LYS 102 HZ2 LYS 102 -7.291 -15.041 3.873 530 HZ3 LYS 102 HZ3 LYS 102 -6.757 -14.087 2.645 531 H GLY 103 H GLY 103 -0.213 -14.830 6.493 532 HA2 GLY 103 HA2 GLY 103 1.879 -15.457 5.896 533 HA3 GLY 103 HA3 GLY 103 1.548 -14.754 4.316 534 HA PRO 104 HA PRO 104 4.955 -12.302 6.389 535 HB2 PRO 104 HB2 PRO 104 7.145 -13.285 5.193 536 HB3 PRO 104 HB3 PRO 104 6.341 -14.188 6.507 537 HG2 PRO 104 HG2 PRO 104 6.135 -14.683 3.533 538 HG3 PRO 104 HG3 PRO 104 6.311 -15.874 4.836 539 HD2 PRO 104 HD2 PRO 104 3.871 -15.135 3.687 540 HD3 PRO 104 HD3 PRO 104 4.061 -15.857 5.304 541 H ALA 105 H ALA 105 4.386 -10.362 5.404 542 HA ALA 105 HA ALA 105 4.025 -9.897 2.651 543 HB1 ALA 105 HB1 ALA 105 3.782 -7.616 3.338 544 HB2 ALA 105 HB2 ALA 105 3.324 -8.520 4.747 545 HB3 ALA 105 HB3 ALA 105 4.938 -7.820 4.677 546 HA PRO 106 HA PRO 106 8.133 -9.451 1.093 547 HB2 PRO 106 HB2 PRO 106 8.155 -7.109 -0.450 548 HB3 PRO 106 HB3 PRO 106 7.475 -8.693 -0.891 549 HG2 PRO 106 HG2 PRO 106 6.100 -6.218 0.109 550 HG3 PRO 106 HG3 PRO 106 5.513 -7.400 -1.092 551 HD2 PRO 106 HD2 PRO 106 4.800 -7.274 1.597 552 HD3 PRO 106 HD3 PRO 106 4.566 -8.698 0.595 553 H ASN 107 H ASN 107 9.736 -9.125 2.465 554 HA ASN 107 HA ASN 107 10.430 -6.548 3.475 555 HB2 ASN 107 HB2 ASN 107 10.187 -6.832 5.792 556 HB3 ASN 107 HB3 ASN 107 8.651 -7.365 5.155 557 HD21 ASN 107 HD21 ASN 107 8.494 -9.865 4.819 558 HD22 ASN 107 HD22 ASN 107 9.345 -10.870 5.984 559 HA PRO 108 HA PRO 108 12.192 -6.025 5.407 560 HB2 PRO 108 HB2 PRO 108 14.688 -5.002 4.782 561 HB3 PRO 108 HB3 PRO 108 14.377 -6.156 6.106 562 HG2 PRO 108 HG2 PRO 108 15.361 -6.727 3.323 563 HG3 PRO 108 HG3 PRO 108 15.999 -7.354 4.868 564 HD2 PRO 108 HD2 PRO 108 14.295 -8.817 3.308 565 HD3 PRO 108 HD3 PRO 108 14.169 -8.862 5.094 566 HA PRO 109 HA PRO 109 11.033 -3.475 2.033 567 HB2 PRO 109 HB2 PRO 109 11.600 -0.883 2.850 568 HB3 PRO 109 HB3 PRO 109 10.230 -1.863 3.450 569 HG2 PRO 109 HG2 PRO 109 12.948 -1.485 4.724 570 HG3 PRO 109 HG3 PRO 109 11.330 -1.396 5.500 571 HD2 PRO 109 HD2 PRO 109 12.881 -3.629 5.635 572 HD3 PRO 109 HD3 PRO 109 11.105 -3.748 5.474 573 HA PRO 110 HA PRO 110 14.777 -2.740 -0.283 574 HB2 PRO 110 HB2 PRO 110 13.794 -1.739 -2.603 575 HB3 PRO 110 HB3 PRO 110 13.205 -3.309 -1.987 576 HG2 PRO 110 HG2 PRO 110 11.987 -0.571 -1.573 577 HG3 PRO 110 HG3 PRO 110 11.175 -2.019 -2.252 578 HD2 PRO 110 HD2 PRO 110 11.027 -1.334 0.409 579 HD3 PRO 110 HD3 PRO 110 11.031 -3.035 -0.142 580 H ILE 111 H ILE 111 15.091 -0.476 -2.071 581 HA ILE 111 HA ILE 111 16.390 1.397 -0.402 582 HB ILE 111 HB ILE 111 16.697 2.655 -2.444 583 HG12 ILE 111 HG12 ILE 111 14.383 1.071 -3.641 584 HG13 ILE 111 HG13 ILE 111 14.498 2.811 -3.356 585 HG21 ILE 111 HG21 ILE 111 17.890 0.440 -2.177 586 HG22 ILE 111 HG22 ILE 111 16.725 -0.267 -3.308 587 HG23 ILE 111 HG23 ILE 111 17.801 1.049 -3.826 588 HD11 ILE 111 HD11 ILE 111 16.340 2.928 -5.046 589 HD12 ILE 111 HD12 ILE 111 15.966 1.229 -5.443 590 HD13 ILE 111 HD13 ILE 111 14.730 2.483 -5.658 591 H LEU 112 H LEU 112 15.713 3.512 0.261 592 HA LEU 112 HA LEU 112 13.689 5.075 -0.516 593 HB2 LEU 112 HB2 LEU 112 12.400 2.883 0.832 594 HB3 LEU 112 HB3 LEU 112 12.369 4.192 1.947 595 HG LEU 112 HG LEU 112 10.382 3.943 0.423 596 HD11 LEU 112 HD11 LEU 112 10.803 6.019 1.653 597 HD12 LEU 112 HD12 LEU 112 9.993 6.315 0.117 598 HD13 LEU 112 HD13 LEU 112 11.718 6.671 0.258 599 HD21 LEU 112 HD21 LEU 112 10.334 4.767 -1.834 600 HD22 LEU 112 HD22 LEU 112 11.592 3.584 -1.781 601 HD23 LEU 112 HD23 LEU 112 12.012 5.303 -1.771 602 H LYS 113 H LYS 113 12.932 6.438 1.704 603 HA LYS 113 HA LYS 113 14.870 6.826 3.699 604 HB2 LYS 113 HB2 LYS 113 15.874 8.951 2.928 605 HB3 LYS 113 HB3 LYS 113 16.320 7.651 1.845 606 HG2 LYS 113 HG2 LYS 113 14.554 8.353 0.231 607 HG3 LYS 113 HG3 LYS 113 14.104 9.681 1.318 608 HD2 LYS 113 HD2 LYS 113 16.456 10.534 1.159 609 HD3 LYS 113 HD3 LYS 113 16.788 9.308 -0.080 610 HE2 LYS 113 HE2 LYS 113 14.612 11.462 -0.210 611 HE3 LYS 113 HE3 LYS 113 16.162 11.558 -1.024 612 HZ1 LYS 113 HZ1 LYS 113 15.561 9.621 -2.343 613 HZ2 LYS 113 HZ2 LYS 113 14.374 10.769 -2.457 614 HZ3 LYS 113 HZ3 LYS 113 14.141 9.451 -1.531 615 H VAL 114 H VAL 114 14.381 9.597 4.165 616 HA VAL 114 HA VAL 114 11.462 9.934 3.984 617 HB VAL 114 HB VAL 114 11.856 8.949 6.141 618 HG11 VAL 114 HG11 VAL 114 13.251 9.942 7.889 619 HG12 VAL 114 HG12 VAL 114 14.235 9.393 6.535 620 HG13 VAL 114 HG13 VAL 114 13.895 11.125 6.733 621 HG21 VAL 114 HG21 VAL 114 10.921 10.660 7.593 622 HG22 VAL 114 HG22 VAL 114 11.455 11.942 6.476 623 HG23 VAL 114 HG23 VAL 114 10.203 10.777 5.982 624 H TRP 115 H TRP 115 10.968 11.985 3.380 625 HA TRP 115 HA TRP 115 11.215 13.999 2.440 626 HB2 TRP 115 HB2 TRP 115 12.919 14.299 4.921 627 HB3 TRP 115 HB3 TRP 115 12.656 15.600 3.797 628 HD1 TRP 115 HD1 TRP 115 9.819 13.271 5.070 629 HE1 TRP 115 HE1 TRP 115 8.039 14.766 6.230 630 HE3 TRP 115 HE3 TRP 115 12.224 17.761 4.727 631 HZ2 TRP 115 HZ2 TRP 115 7.669 17.571 6.719 632 HZ3 TRP 115 HZ3 TRP 115 11.076 19.853 5.389 633 HH2 TRP 115 HH2 TRP 115 8.777 19.774 6.322 Start of MODEL 9 1 H1 MET 1 H MET 1 -19.085 2.768 11.987 2 HA MET 1 HA MET 1 -17.260 1.991 10.564 3 HB2 MET 1 HB2 MET 1 -19.428 2.123 8.414 4 HB3 MET 1 HB3 MET 1 -17.693 2.006 8.098 5 HG2 MET 1 HG2 MET 1 -17.657 -0.157 9.339 6 HG3 MET 1 HG3 MET 1 -19.406 -0.049 9.529 7 HE1 MET 1 HE1 MET 1 -16.368 -0.433 7.139 8 HE2 MET 1 HE2 MET 1 -17.106 -0.754 5.555 9 HE3 MET 1 HE3 MET 1 -17.197 0.861 6.258 10 H LYS 2 H LYS 2 -16.028 3.885 10.708 11 HA LYS 2 HA LYS 2 -16.999 6.294 9.258 12 HB2 LYS 2 HB2 LYS 2 -16.210 6.189 12.208 13 HB3 LYS 2 HB3 LYS 2 -16.364 7.674 11.246 14 HG2 LYS 2 HG2 LYS 2 -18.722 7.207 10.801 15 HG3 LYS 2 HG3 LYS 2 -18.638 5.715 11.764 16 HD2 LYS 2 HD2 LYS 2 -18.171 6.914 13.782 17 HD3 LYS 2 HD3 LYS 2 -17.969 8.448 12.898 18 HE2 LYS 2 HE2 LYS 2 -20.291 8.467 12.216 19 HE3 LYS 2 HE3 LYS 2 -20.548 6.826 12.830 20 HZ1 LYS 2 HZ1 LYS 2 -21.415 8.415 14.344 21 HZ2 LYS 2 HZ2 LYS 2 -19.927 9.178 14.492 22 HZ3 LYS 2 HZ3 LYS 2 -20.156 7.631 15.036 23 H VAL 3 H VAL 3 -15.148 4.692 8.113 24 HA VAL 3 HA VAL 3 -12.662 6.197 8.655 25 HB VAL 3 HB VAL 3 -12.488 4.184 9.851 26 HG11 VAL 3 HG11 VAL 3 -12.316 1.970 8.823 27 HG12 VAL 3 HG12 VAL 3 -13.944 2.638 8.686 28 HG13 VAL 3 HG13 VAL 3 -12.872 2.626 7.274 29 HG21 VAL 3 HG21 VAL 3 -10.515 5.196 9.002 30 HG22 VAL 3 HG22 VAL 3 -10.333 3.434 8.919 31 HG23 VAL 3 HG23 VAL 3 -10.672 4.373 7.449 32 HA PRO 4 HA PRO 4 -13.487 6.706 4.211 33 HB2 PRO 4 HB2 PRO 4 -11.967 8.922 3.811 34 HB3 PRO 4 HB3 PRO 4 -13.533 9.000 4.676 35 HG2 PRO 4 HG2 PRO 4 -10.738 8.919 5.838 36 HG3 PRO 4 HG3 PRO 4 -12.119 9.967 6.302 37 HD2 PRO 4 HD2 PRO 4 -11.436 7.626 7.599 38 HD3 PRO 4 HD3 PRO 4 -13.106 8.282 7.553 39 H GLY 5 H GLY 5 -12.131 6.192 2.282 40 HA2 GLY 5 HA2 GLY 5 -9.787 4.662 2.929 41 HA3 GLY 5 HA3 GLY 5 -10.454 5.035 1.314 42 H VAL 6 H VAL 6 -7.637 5.364 2.604 43 HA VAL 6 HA VAL 6 -7.296 8.299 2.213 44 HB VAL 6 HB VAL 6 -5.030 7.858 3.164 45 HG11 VAL 6 HG11 VAL 6 -6.007 7.901 5.529 46 HG12 VAL 6 HG12 VAL 6 -6.755 9.040 4.401 47 HG13 VAL 6 HG13 VAL 6 -7.580 7.529 4.815 48 HG21 VAL 6 HG21 VAL 6 -6.273 5.268 4.175 49 HG22 VAL 6 HG22 VAL 6 -4.890 5.436 3.051 50 HG23 VAL 6 HG23 VAL 6 -4.750 5.992 4.711 51 H ARG 7 H ARG 7 -6.581 8.993 0.344 52 HA ARG 7 HA ARG 7 -5.805 7.150 -1.736 53 HB2 ARG 7 HB2 ARG 7 -5.708 9.040 -3.146 54 HB3 ARG 7 HB3 ARG 7 -7.070 9.269 -2.095 55 HG2 ARG 7 HG2 ARG 7 -4.418 10.749 -1.972 56 HG3 ARG 7 HG3 ARG 7 -5.986 11.359 -2.487 57 HD2 ARG 7 HD2 ARG 7 -6.835 10.888 -0.128 58 HD3 ARG 7 HD3 ARG 7 -5.140 10.625 0.328 59 HE ARG 7 HE ARG 7 -5.666 13.144 -1.054 60 HH11 ARG 7 HH11 ARG 7 -5.124 11.560 2.067 61 HH12 ARG 7 HH12 ARG 7 -5.161 12.994 3.008 62 HH21 ARG 7 HH21 ARG 7 -5.790 15.114 0.221 63 HH22 ARG 7 HH22 ARG 7 -5.437 15.077 1.910 64 H VAL 8 H VAL 8 -3.805 6.402 -2.187 65 HA VAL 8 HA VAL 8 -1.454 7.922 -1.276 66 HB VAL 8 HB VAL 8 -0.332 6.066 -0.289 67 HG11 VAL 8 HG11 VAL 8 -1.743 7.263 1.226 68 HG12 VAL 8 HG12 VAL 8 -3.123 6.233 0.883 69 HG13 VAL 8 HG13 VAL 8 -1.709 5.552 1.692 70 HG21 VAL 8 HG21 VAL 8 -1.419 3.841 0.056 71 HG22 VAL 8 HG22 VAL 8 -2.624 4.363 -1.164 72 HG23 VAL 8 HG23 VAL 8 -0.915 4.223 -1.593 73 H ARG 9 H ARG 9 0.542 7.074 -2.434 74 HA ARG 9 HA ARG 9 -0.140 5.881 -5.094 75 HB2 ARG 9 HB2 ARG 9 0.036 8.473 -4.931 76 HB3 ARG 9 HB3 ARG 9 1.773 8.219 -4.782 77 HG2 ARG 9 HG2 ARG 9 1.855 7.217 -7.003 78 HG3 ARG 9 HG3 ARG 9 0.088 7.040 -7.046 79 HD2 ARG 9 HD2 ARG 9 -0.033 9.617 -6.871 80 HD3 ARG 9 HD3 ARG 9 1.703 9.612 -7.229 81 HE ARG 9 HE ARG 9 -0.104 8.106 -9.035 82 HH11 ARG 9 HH11 ARG 9 1.492 11.247 -8.682 83 HH12 ARG 9 HH12 ARG 9 1.774 11.430 -10.386 84 HH21 ARG 9 HH21 ARG 9 0.105 8.427 -11.274 85 HH22 ARG 9 HH22 ARG 9 1.243 9.617 -11.813 86 H ALA 10 H ALA 10 1.482 4.644 -5.936 87 HA ALA 10 HA ALA 10 3.346 3.581 -3.925 88 HB1 ALA 10 HB1 ALA 10 2.858 2.538 -6.730 89 HB2 ALA 10 HB2 ALA 10 3.696 1.757 -5.397 90 HB3 ALA 10 HB3 ALA 10 1.941 2.034 -5.289 91 H LEU 11 H LEU 11 5.439 3.886 -3.844 92 HA LEU 11 HA LEU 11 6.615 5.716 -5.863 93 HB2 LEU 11 HB2 LEU 11 7.490 4.895 -3.087 94 HB3 LEU 11 HB3 LEU 11 8.559 5.693 -4.221 95 HG LEU 11 HG LEU 11 6.499 7.400 -4.467 96 HD11 LEU 11 HD11 LEU 11 5.480 7.812 -2.252 97 HD12 LEU 11 HD12 LEU 11 6.251 6.327 -1.630 98 HD13 LEU 11 HD13 LEU 11 5.010 6.245 -2.905 99 HD21 LEU 11 HD21 LEU 11 7.609 8.830 -2.755 100 HD22 LEU 11 HD22 LEU 11 8.737 8.097 -3.905 101 HD23 LEU 11 HD23 LEU 11 8.597 7.439 -2.264 102 H TYR 12 H TYR 12 6.249 2.429 -5.634 103 HA TYR 12 HA TYR 12 8.528 1.896 -7.398 104 HB2 TYR 12 HB2 TYR 12 7.901 -0.024 -5.117 105 HB3 TYR 12 HB3 TYR 12 9.314 0.025 -6.148 106 HD1 TYR 12 HD1 TYR 12 7.716 1.479 -3.091 107 HD2 TYR 12 HD2 TYR 12 11.126 1.823 -5.768 108 HE1 TYR 12 HE1 TYR 12 8.629 3.234 -1.743 109 HE2 TYR 12 HE2 TYR 12 11.893 3.692 -4.514 110 HH TYR 12 HH TYR 12 11.341 5.250 -2.788 111 H ASP 13 H ASP 13 8.079 -0.383 -8.405 112 HA ASP 13 HA ASP 13 5.123 -0.732 -8.768 113 HB2 ASP 13 HB2 ASP 13 5.697 -1.807 -10.968 114 HB3 ASP 13 HB3 ASP 13 5.806 -0.060 -10.835 115 H TYR 14 H TYR 14 4.587 -2.211 -7.314 116 HA TYR 14 HA TYR 14 5.857 -4.892 -7.484 117 HB2 TYR 14 HB2 TYR 14 5.736 -3.077 -5.105 118 HB3 TYR 14 HB3 TYR 14 5.213 -4.715 -4.809 119 HD1 TYR 14 HD1 TYR 14 6.861 -6.345 -4.113 120 HD2 TYR 14 HD2 TYR 14 8.077 -2.881 -6.448 121 HE1 TYR 14 HE1 TYR 14 9.126 -7.228 -4.274 122 HE2 TYR 14 HE2 TYR 14 10.361 -3.741 -6.527 123 HH TYR 14 HH TYR 14 11.797 -5.433 -5.806 124 H THR 15 H THR 15 4.412 -6.621 -7.317 125 HA THR 15 HA THR 15 1.525 -5.858 -7.081 126 HB THR 15 HB THR 15 2.939 -7.998 -8.711 127 HG1 THR 15 HG1 THR 15 2.581 -5.802 -9.578 128 HG21 THR 15 HG21 THR 15 0.500 -8.578 -9.427 129 HG22 THR 15 HG22 THR 15 0.031 -7.772 -7.913 130 HG23 THR 15 HG23 THR 15 1.076 -9.176 -7.875 131 H GLY 16 H GLY 16 1.639 -6.042 -4.812 132 HA2 GLY 16 HA2 GLY 16 1.699 -7.189 -2.791 133 HA3 GLY 16 HA3 GLY 16 0.973 -8.400 -3.828 134 H GLN 17 H GLN 17 1.877 -9.998 -2.449 135 HA GLN 17 HA GLN 17 4.542 -10.733 -3.188 136 HB2 GLN 17 HB2 GLN 17 4.955 -9.532 -1.057 137 HB3 GLN 17 HB3 GLN 17 3.845 -10.613 -0.213 138 HG2 GLN 17 HG2 GLN 17 6.158 -11.149 0.286 139 HG3 GLN 17 HG3 GLN 17 5.399 -12.490 -0.557 140 HE21 GLN 17 HE21 GLN 17 5.862 -12.654 -2.947 141 HE22 GLN 17 HE22 GLN 17 7.370 -12.060 -3.584 142 H GLU 18 H GLU 18 1.328 -11.565 -2.411 143 HA GLU 18 HA GLU 18 1.809 -14.476 -2.655 144 HB2 GLU 18 HB2 GLU 18 0.698 -13.103 -0.479 145 HB3 GLU 18 HB3 GLU 18 -0.702 -13.357 -1.455 146 HG2 GLU 18 HG2 GLU 18 -0.866 -15.320 -0.406 147 HG3 GLU 18 HG3 GLU 18 0.294 -15.890 -1.583 148 H ALA 19 H ALA 19 -0.820 -15.229 -3.193 149 HA ALA 19 HA ALA 19 -1.314 -14.157 -5.876 150 HB1 ALA 19 HB1 ALA 19 -2.683 -16.163 -6.138 151 HB2 ALA 19 HB2 ALA 19 -1.069 -16.596 -5.537 152 HB3 ALA 19 HB3 ALA 19 -2.462 -16.577 -4.425 153 H ASP 20 H ASP 20 -2.433 -13.320 -2.833 154 HA ASP 20 HA ASP 20 -5.203 -12.671 -3.739 155 HB2 ASP 20 HB2 ASP 20 -4.429 -13.056 -0.846 156 HB3 ASP 20 HB3 ASP 20 -6.033 -13.067 -1.559 157 H GLU 21 H GLU 21 -2.953 -10.962 -4.091 158 HA GLU 21 HA GLU 21 -3.423 -8.728 -2.195 159 HB2 GLU 21 HB2 GLU 21 -1.007 -8.164 -3.059 160 HB3 GLU 21 HB3 GLU 21 -1.283 -9.316 -1.770 161 HG2 GLU 21 HG2 GLU 21 0.348 -10.226 -3.385 162 HG3 GLU 21 HG3 GLU 21 -1.051 -11.206 -3.253 163 H LEU 22 H LEU 22 -2.599 -6.622 -3.247 164 HA LEU 22 HA LEU 22 -4.299 -6.065 -5.627 165 HB2 LEU 22 HB2 LEU 22 -3.050 -4.398 -3.384 166 HB3 LEU 22 HB3 LEU 22 -3.493 -3.660 -4.915 167 HG LEU 22 HG LEU 22 -5.404 -5.015 -3.044 168 HD11 LEU 22 HD11 LEU 22 -4.623 -2.825 -2.240 169 HD12 LEU 22 HD12 LEU 22 -6.324 -2.776 -2.728 170 HD13 LEU 22 HD13 LEU 22 -5.095 -2.087 -3.787 171 HD21 LEU 22 HD21 LEU 22 -6.296 -5.378 -5.183 172 HD22 LEU 22 HD22 LEU 22 -5.741 -3.819 -5.793 173 HD23 LEU 22 HD23 LEU 22 -7.097 -3.906 -4.637 174 H SER 23 H SER 23 -3.353 -4.892 -7.379 175 HA SER 23 HA SER 23 -0.379 -5.144 -7.467 176 HB2 SER 23 HB2 SER 23 -0.851 -5.253 -9.947 177 HB3 SER 23 HB3 SER 23 -1.389 -6.634 -8.997 178 HG SER 23 HG SER 23 -3.061 -6.278 -10.259 179 H PHE 24 H PHE 24 0.772 -3.221 -7.571 180 HA PHE 24 HA PHE 24 -0.700 -0.901 -8.736 181 HB2 PHE 24 HB2 PHE 24 0.256 0.597 -7.149 182 HB3 PHE 24 HB3 PHE 24 -0.845 -0.562 -6.426 183 HD1 PHE 24 HD1 PHE 24 2.825 -0.181 -7.144 184 HD2 PHE 24 HD2 PHE 24 -0.212 -1.352 -4.334 185 HE1 PHE 24 HE1 PHE 24 4.588 -0.711 -5.444 186 HE2 PHE 24 HE2 PHE 24 1.518 -1.680 -2.598 187 HZ PHE 24 HZ PHE 24 3.913 -1.417 -3.177 188 H LYS 25 H LYS 25 0.820 0.736 -9.500 189 HA LYS 25 HA LYS 25 3.437 -0.267 -10.424 190 HB2 LYS 25 HB2 LYS 25 1.067 0.061 -12.093 191 HB3 LYS 25 HB3 LYS 25 2.139 1.408 -12.440 192 HG2 LYS 25 HG2 LYS 25 2.791 -0.246 -13.947 193 HG3 LYS 25 HG3 LYS 25 4.005 -0.326 -12.677 194 HD2 LYS 25 HD2 LYS 25 3.558 -2.503 -12.487 195 HD3 LYS 25 HD3 LYS 25 1.996 -2.135 -11.798 196 HE2 LYS 25 HE2 LYS 25 2.395 -2.208 -14.815 197 HE3 LYS 25 HE3 LYS 25 2.143 -3.683 -13.900 198 HZ1 LYS 25 HZ1 LYS 25 0.218 -1.465 -14.122 199 HZ2 LYS 25 HZ2 LYS 25 0.050 -2.777 -13.089 200 HZ3 LYS 25 HZ3 LYS 25 0.114 -2.980 -14.708 201 H ALA 26 H ALA 26 4.694 1.654 -11.318 202 HA ALA 26 HA ALA 26 4.743 3.764 -9.402 203 HB1 ALA 26 HB1 ALA 26 6.691 3.114 -10.802 204 HB2 ALA 26 HB2 ALA 26 5.828 3.649 -12.267 205 HB3 ALA 26 HB3 ALA 26 6.296 4.833 -11.028 206 H GLY 27 H GLY 27 3.207 5.347 -9.198 207 HA2 GLY 27 HA2 GLY 27 2.060 7.202 -9.993 208 HA3 GLY 27 HA3 GLY 27 1.890 6.504 -11.597 209 H GLU 28 H GLU 28 0.988 3.838 -10.146 210 HA GLU 28 HA GLU 28 -1.843 4.286 -10.351 211 HB2 GLU 28 HB2 GLU 28 -0.183 2.027 -9.111 212 HB3 GLU 28 HB3 GLU 28 -1.925 1.979 -9.174 213 HG2 GLU 28 HG2 GLU 28 -0.271 2.292 -11.710 214 HG3 GLU 28 HG3 GLU 28 -0.676 0.734 -10.969 215 H GLU 29 H GLU 29 -3.249 4.990 -8.861 216 HA GLU 29 HA GLU 29 -2.321 5.455 -6.100 217 HB2 GLU 29 HB2 GLU 29 -4.779 6.411 -7.636 218 HB3 GLU 29 HB3 GLU 29 -4.485 6.732 -5.920 219 HG2 GLU 29 HG2 GLU 29 -2.322 7.812 -6.486 220 HG3 GLU 29 HG3 GLU 29 -2.644 7.598 -8.203 221 H LEU 30 H LEU 30 -3.792 4.837 -4.322 222 HA LEU 30 HA LEU 30 -5.682 2.651 -4.800 223 HB2 LEU 30 HB2 LEU 30 -4.462 1.297 -2.956 224 HB3 LEU 30 HB3 LEU 30 -3.845 1.184 -4.637 225 HG LEU 30 HG LEU 30 -2.553 3.288 -3.011 226 HD11 LEU 30 HD11 LEU 30 -2.886 1.654 -1.225 227 HD12 LEU 30 HD12 LEU 30 -1.181 1.674 -1.710 228 HD13 LEU 30 HD13 LEU 30 -2.234 0.361 -2.251 229 HD21 LEU 30 HD21 LEU 30 -1.350 0.990 -4.575 230 HD22 LEU 30 HD22 LEU 30 -0.519 2.442 -3.990 231 HD23 LEU 30 HD23 LEU 30 -1.740 2.577 -5.259 232 H MET 31 H MET 31 -6.934 2.194 -2.894 233 HA MET 31 HA MET 31 -6.733 4.327 -0.793 234 HB2 MET 31 HB2 MET 31 -9.438 3.158 -1.546 235 HB3 MET 31 HB3 MET 31 -8.985 4.489 -0.510 236 HG2 MET 31 HG2 MET 31 -7.959 5.573 -2.611 237 HG3 MET 31 HG3 MET 31 -8.957 4.430 -3.514 238 HE1 MET 31 HE1 MET 31 -8.786 7.910 -2.078 239 HE2 MET 31 HE2 MET 31 -10.178 8.055 -0.985 240 HE3 MET 31 HE3 MET 31 -8.858 6.930 -0.604 241 H LYS 32 H LYS 32 -6.026 3.409 0.933 242 HA LYS 32 HA LYS 32 -6.165 0.662 1.647 243 HB2 LYS 32 HB2 LYS 32 -4.509 1.953 2.583 244 HB3 LYS 32 HB3 LYS 32 -5.545 3.348 2.839 245 HG2 LYS 32 HG2 LYS 32 -6.715 2.297 4.712 246 HG3 LYS 32 HG3 LYS 32 -5.661 0.912 4.618 247 HD2 LYS 32 HD2 LYS 32 -3.831 1.924 5.493 248 HD3 LYS 32 HD3 LYS 32 -4.155 3.473 4.708 249 HE2 LYS 32 HE2 LYS 32 -5.991 3.890 6.353 250 HE3 LYS 32 HE3 LYS 32 -5.575 2.370 7.154 251 HZ1 LYS 32 HZ1 LYS 32 -4.447 4.089 8.292 252 HZ2 LYS 32 HZ2 LYS 32 -3.907 4.812 6.923 253 HZ3 LYS 32 HZ3 LYS 32 -3.270 3.379 7.396 254 H ILE 33 H ILE 33 -7.687 -0.427 3.005 255 HA ILE 33 HA ILE 33 -9.925 1.277 3.876 256 HB ILE 33 HB ILE 33 -11.547 -0.058 3.216 257 HG12 ILE 33 HG12 ILE 33 -9.602 -2.119 2.103 258 HG13 ILE 33 HG13 ILE 33 -10.580 -2.303 3.551 259 HG21 ILE 33 HG21 ILE 33 -11.584 0.200 0.831 260 HG22 ILE 33 HG22 ILE 33 -10.602 1.501 1.489 261 HG23 ILE 33 HG23 ILE 33 -9.819 0.104 0.736 262 HD11 ILE 33 HD11 ILE 33 -11.603 -3.532 1.774 263 HD12 ILE 33 HD12 ILE 33 -12.641 -2.129 2.108 264 HD13 ILE 33 HD13 ILE 33 -11.569 -2.147 0.682 265 H SER 34 H SER 34 -7.576 -0.772 4.997 266 HA SER 34 HA SER 34 -9.055 -1.150 7.539 267 HB2 SER 34 HB2 SER 34 -7.119 -3.124 6.250 268 HB3 SER 34 HB3 SER 34 -7.924 -3.295 7.808 269 HG SER 34 HG SER 34 -8.857 -4.532 6.333 270 H GLU 35 H GLU 35 -7.086 -1.878 9.192 271 HA GLU 35 HA GLU 35 -5.150 0.348 9.052 272 HB2 GLU 35 HB2 GLU 35 -4.608 -0.232 11.312 273 HB3 GLU 35 HB3 GLU 35 -6.356 -0.181 11.140 274 HG2 GLU 35 HG2 GLU 35 -5.627 -2.893 10.578 275 HG3 GLU 35 HG3 GLU 35 -4.626 -2.412 11.950 276 H GLU 36 H GLU 36 -2.808 -0.232 9.736 277 HA GLU 36 HA GLU 36 -1.717 -2.094 7.847 278 HB2 GLU 36 HB2 GLU 36 -0.918 0.167 8.332 279 HB3 GLU 36 HB3 GLU 36 -0.548 -0.317 10.000 280 HG2 GLU 36 HG2 GLU 36 1.222 -1.749 9.287 281 HG3 GLU 36 HG3 GLU 36 0.711 -1.651 7.592 282 H ASP 37 H ASP 37 -1.048 -4.068 8.290 283 HA ASP 37 HA ASP 37 -1.514 -5.321 10.901 284 HB2 ASP 37 HB2 ASP 37 -1.909 -6.157 8.346 285 HB3 ASP 37 HB3 ASP 37 -0.290 -6.805 8.621 286 H GLU 38 H GLU 38 0.220 -6.951 11.607 287 HA GLU 38 HA GLU 38 2.516 -5.709 12.507 288 HB2 GLU 38 HB2 GLU 38 1.316 -7.932 13.135 289 HB3 GLU 38 HB3 GLU 38 2.327 -8.682 11.918 290 HG2 GLU 38 HG2 GLU 38 3.694 -9.035 13.705 291 HG3 GLU 38 HG3 GLU 38 4.298 -7.435 13.312 292 H GLN 39 H GLN 39 2.135 -7.417 9.445 293 HA GLN 39 HA GLN 39 5.039 -7.356 8.853 294 HB2 GLN 39 HB2 GLN 39 2.601 -8.755 7.849 295 HB3 GLN 39 HB3 GLN 39 3.717 -8.292 6.598 296 HG2 GLN 39 HG2 GLN 39 4.442 -10.093 8.950 297 HG3 GLN 39 HG3 GLN 39 4.084 -10.553 7.319 298 HE21 GLN 39 HE21 GLN 39 6.631 -8.945 9.358 299 HE22 GLN 39 HE22 GLN 39 7.771 -8.973 8.002 300 H GLY 40 H GLY 40 2.943 -4.890 8.945 301 HA2 GLY 40 HA2 GLY 40 2.907 -2.862 7.906 302 HA3 GLY 40 HA3 GLY 40 4.294 -3.361 6.917 303 H TRP 41 H TRP 41 1.301 -5.206 7.169 304 HA TRP 41 HA TRP 41 0.899 -5.092 4.238 305 HB2 TRP 41 HB2 TRP 41 0.089 -6.871 6.517 306 HB3 TRP 41 HB3 TRP 41 -1.124 -6.640 5.289 307 HD1 TRP 41 HD1 TRP 41 1.114 -9.082 6.147 308 HE1 TRP 41 HE1 TRP 41 1.974 -10.484 4.183 309 HE3 TRP 41 HE3 TRP 41 -0.074 -5.901 2.343 310 HZ2 TRP 41 HZ2 TRP 41 2.265 -10.166 1.332 311 HZ3 TRP 41 HZ3 TRP 41 0.454 -6.528 -0.021 312 HH2 TRP 41 HH2 TRP 41 1.543 -8.592 -0.539 313 H CYS 42 H CYS 42 -0.945 -4.137 3.330 314 HA CYS 42 HA CYS 42 -2.899 -2.954 5.194 315 HB2 CYS 42 HB2 CYS 42 -1.011 -1.662 3.292 316 HB3 CYS 42 HB3 CYS 42 -2.677 -1.163 3.148 317 HG CYS 42 HG CYS 42 -1.178 0.488 4.648 318 H LYS 43 H LYS 43 -4.921 -3.490 4.607 319 HA LYS 43 HA LYS 43 -5.446 -4.881 2.056 320 HB2 LYS 43 HB2 LYS 43 -6.033 -5.596 4.645 321 HB3 LYS 43 HB3 LYS 43 -7.530 -4.780 4.220 322 HG2 LYS 43 HG2 LYS 43 -6.223 -6.941 2.521 323 HG3 LYS 43 HG3 LYS 43 -7.400 -7.293 3.788 324 HD2 LYS 43 HD2 LYS 43 -9.134 -6.079 2.604 325 HD3 LYS 43 HD3 LYS 43 -7.969 -5.444 1.438 326 HE2 LYS 43 HE2 LYS 43 -9.062 -7.233 0.347 327 HE3 LYS 43 HE3 LYS 43 -7.411 -7.766 0.721 328 HZ1 LYS 43 HZ1 LYS 43 -9.664 -8.443 2.500 329 HZ2 LYS 43 HZ2 LYS 43 -8.240 -9.257 2.300 330 HZ3 LYS 43 HZ3 LYS 43 -9.367 -9.286 1.120 331 H GLY 44 H GLY 44 -6.007 -3.481 0.479 332 HA2 GLY 44 HA2 GLY 44 -7.916 -1.261 1.105 333 HA3 GLY 44 HA3 GLY 44 -6.485 -1.006 0.152 334 H ARG 45 H ARG 45 -8.241 -0.165 -1.249 335 HA ARG 45 HA ARG 45 -9.183 -2.213 -3.147 336 HB2 ARG 45 HB2 ARG 45 -10.967 -1.072 -1.577 337 HB3 ARG 45 HB3 ARG 45 -10.718 0.321 -2.633 338 HG2 ARG 45 HG2 ARG 45 -11.081 -1.895 -4.384 339 HG3 ARG 45 HG3 ARG 45 -12.223 -2.178 -3.079 340 HD2 ARG 45 HD2 ARG 45 -11.990 0.263 -4.873 341 HD3 ARG 45 HD3 ARG 45 -13.270 -0.964 -4.900 342 HE ARG 45 HE ARG 45 -13.641 -0.150 -2.445 343 HH11 ARG 45 HH11 ARG 45 -13.112 1.842 -5.364 344 HH12 ARG 45 HH12 ARG 45 -13.924 3.224 -4.751 345 HH21 ARG 45 HH21 ARG 45 -14.704 1.709 -1.597 346 HH22 ARG 45 HH22 ARG 45 -14.938 3.101 -2.613 347 H LEU 46 H LEU 46 -8.424 -1.841 -5.139 348 HA LEU 46 HA LEU 46 -6.733 0.434 -5.726 349 HB2 LEU 46 HB2 LEU 46 -6.971 -2.198 -6.657 350 HB3 LEU 46 HB3 LEU 46 -7.707 -1.285 -7.955 351 HG LEU 46 HG LEU 46 -5.584 0.188 -7.906 352 HD11 LEU 46 HD11 LEU 46 -4.405 -2.146 -6.399 353 HD12 LEU 46 HD12 LEU 46 -4.856 -0.611 -5.623 354 HD13 LEU 46 HD13 LEU 46 -3.607 -0.639 -6.893 355 HD21 LEU 46 HD21 LEU 46 -4.260 -1.423 -9.212 356 HD22 LEU 46 HD22 LEU 46 -5.942 -1.520 -9.666 357 HD23 LEU 46 HD23 LEU 46 -5.263 -2.762 -8.600 358 H LEU 47 H LEU 47 -7.131 1.791 -7.772 359 HA LEU 47 HA LEU 47 -9.617 3.157 -7.521 360 HB2 LEU 47 HB2 LEU 47 -7.254 3.255 -9.334 361 HB3 LEU 47 HB3 LEU 47 -8.723 3.959 -9.961 362 HG LEU 47 HG LEU 47 -7.076 5.493 -8.755 363 HD11 LEU 47 HD11 LEU 47 -8.878 6.894 -7.845 364 HD12 LEU 47 HD12 LEU 47 -9.979 5.496 -7.853 365 HD13 LEU 47 HD13 LEU 47 -9.372 6.153 -9.373 366 HD21 LEU 47 HD21 LEU 47 -6.704 4.032 -6.772 367 HD22 LEU 47 HD22 LEU 47 -8.327 4.433 -6.198 368 HD23 LEU 47 HD23 LEU 47 -7.103 5.707 -6.387 369 H THR 48 H THR 48 -8.609 0.650 -9.847 370 HA THR 48 HA THR 48 -10.979 0.755 -11.424 371 HB THR 48 HB THR 48 -8.807 -0.123 -12.190 372 HG1 THR 48 HG1 THR 48 -10.438 -0.890 -13.313 373 HG21 THR 48 HG21 THR 48 -8.018 -2.363 -11.511 374 HG22 THR 48 HG22 THR 48 -9.262 -2.384 -10.232 375 HG23 THR 48 HG23 THR 48 -7.978 -1.189 -10.191 376 H GLY 49 H GLY 49 -10.715 -0.286 -8.201 377 HA2 GLY 49 HA2 GLY 49 -12.604 -1.009 -6.980 378 HA3 GLY 49 HA3 GLY 49 -13.259 -1.799 -8.403 379 H HIS 50 H HIS 50 -10.138 -2.726 -8.559 380 HA HIS 50 HA HIS 50 -10.531 -5.378 -7.667 381 HB2 HIS 50 HB2 HIS 50 -8.772 -4.274 -9.285 382 HB3 HIS 50 HB3 HIS 50 -7.810 -4.049 -7.831 383 HD1 HIS 50 HD1 HIS 50 -8.028 -6.282 -10.600 384 HD2 HIS 50 HD2 HIS 50 -7.496 -6.633 -6.435 385 HE1 HIS 50 HE1 HIS 50 -6.825 -8.505 -10.197 386 H VAL 51 H VAL 51 -9.886 -6.418 -5.620 387 HA VAL 51 HA VAL 51 -9.191 -4.528 -3.422 388 HB VAL 51 HB VAL 51 -11.573 -5.118 -3.511 389 HG11 VAL 51 HG11 VAL 51 -10.724 -8.016 -3.073 390 HG12 VAL 51 HG12 VAL 51 -12.377 -7.371 -3.058 391 HG13 VAL 51 HG13 VAL 51 -11.455 -7.366 -4.558 392 HG21 VAL 51 HG21 VAL 51 -10.491 -4.683 -1.327 393 HG22 VAL 51 HG22 VAL 51 -11.877 -5.770 -1.220 394 HG23 VAL 51 HG23 VAL 51 -10.237 -6.433 -1.130 395 H GLY 52 H GLY 52 -7.797 -5.423 -1.703 396 HA2 GLY 52 HA2 GLY 52 -6.966 -7.992 -1.371 397 HA3 GLY 52 HA3 GLY 52 -5.971 -7.424 -2.719 398 H LEU 53 H LEU 53 -4.396 -8.001 -0.954 399 HA LEU 53 HA LEU 53 -3.856 -5.919 1.067 400 HB2 LEU 53 HB2 LEU 53 -2.747 -8.652 0.320 401 HB3 LEU 53 HB3 LEU 53 -1.865 -7.597 1.389 402 HG LEU 53 HG LEU 53 -4.703 -8.405 2.017 403 HD11 LEU 53 HD11 LEU 53 -3.686 -10.106 3.508 404 HD12 LEU 53 HD12 LEU 53 -2.070 -9.688 2.906 405 HD13 LEU 53 HD13 LEU 53 -3.272 -10.398 1.814 406 HD21 LEU 53 HD21 LEU 53 -2.427 -7.295 3.702 407 HD22 LEU 53 HD22 LEU 53 -4.033 -7.772 4.314 408 HD23 LEU 53 HD23 LEU 53 -3.873 -6.407 3.211 409 H TYR 54 H TYR 54 -1.971 -4.524 0.924 410 HA TYR 54 HA TYR 54 -0.234 -4.758 -1.434 411 HB2 TYR 54 HB2 TYR 54 -0.362 -2.487 -1.977 412 HB3 TYR 54 HB3 TYR 54 -2.003 -3.029 -1.928 413 HD1 TYR 54 HD1 TYR 54 -3.598 -1.996 -0.309 414 HD2 TYR 54 HD2 TYR 54 0.611 -1.043 -0.194 415 HE1 TYR 54 HE1 TYR 54 -4.059 -0.086 1.228 416 HE2 TYR 54 HE2 TYR 54 0.126 0.761 1.435 417 HH TYR 54 HH TYR 54 -1.355 1.817 2.725 418 HA PRO 55 HA PRO 55 2.618 -4.208 1.921 419 HB2 PRO 55 HB2 PRO 55 4.946 -3.623 0.676 420 HB3 PRO 55 HB3 PRO 55 4.139 -5.207 0.549 421 HG2 PRO 55 HG2 PRO 55 4.011 -2.928 -1.433 422 HG3 PRO 55 HG3 PRO 55 4.374 -4.630 -1.774 423 HD2 PRO 55 HD2 PRO 55 1.824 -3.718 -2.117 424 HD3 PRO 55 HD3 PRO 55 2.137 -5.306 -1.379 425 H ALA 56 H ALA 56 2.096 -2.487 3.209 426 HA ALA 56 HA ALA 56 1.723 0.160 2.434 427 HB1 ALA 56 HB1 ALA 56 2.556 -0.883 5.162 428 HB2 ALA 56 HB2 ALA 56 1.813 0.676 4.837 429 HB3 ALA 56 HB3 ALA 56 0.893 -0.805 4.559 430 H ASN 57 H ASN 57 4.731 -1.396 3.400 431 HA ASN 57 HA ASN 57 6.247 0.984 3.751 432 HB2 ASN 57 HB2 ASN 57 7.584 -1.490 2.635 433 HB3 ASN 57 HB3 ASN 57 8.153 -0.296 3.788 434 HD21 ASN 57 HD21 ASN 57 6.235 -3.330 3.406 435 HD22 ASN 57 HD22 ASN 57 6.161 -3.590 5.111 436 H TYR 58 H TYR 58 5.047 -0.302 0.732 437 HA TYR 58 HA TYR 58 7.259 0.943 -0.822 438 HB2 TYR 58 HB2 TYR 58 5.108 -1.068 -1.458 439 HB3 TYR 58 HB3 TYR 58 6.126 -0.357 -2.692 440 HD1 TYR 58 HD1 TYR 58 6.624 -2.131 0.632 441 HD2 TYR 58 HD2 TYR 58 7.783 -1.809 -3.510 442 HE1 TYR 58 HE1 TYR 58 8.368 -3.823 0.995 443 HE2 TYR 58 HE2 TYR 58 9.425 -3.585 -3.179 444 HH TYR 58 HH TYR 58 10.176 -5.112 -0.002 445 H VAL 59 H VAL 59 4.380 2.057 0.465 446 HA VAL 59 HA VAL 59 4.010 3.875 -1.861 447 HB VAL 59 HB VAL 59 1.614 3.626 -1.751 448 HG11 VAL 59 HG11 VAL 59 2.579 0.731 -1.634 449 HG12 VAL 59 HG12 VAL 59 1.213 1.401 -2.541 450 HG13 VAL 59 HG13 VAL 59 2.874 1.749 -3.023 451 HG21 VAL 59 HG21 VAL 59 1.975 1.550 0.438 452 HG22 VAL 59 HG22 VAL 59 1.430 3.196 0.727 453 HG23 VAL 59 HG23 VAL 59 0.450 2.152 -0.283 454 H GLU 60 H GLU 60 2.921 5.957 -1.230 455 HA GLU 60 HA GLU 60 2.915 6.523 1.659 456 HB2 GLU 60 HB2 GLU 60 5.220 7.006 0.260 457 HB3 GLU 60 HB3 GLU 60 4.383 8.535 0.034 458 HG2 GLU 60 HG2 GLU 60 4.953 7.132 2.690 459 HG3 GLU 60 HG3 GLU 60 5.919 8.435 2.006 460 H LYS 61 H LYS 61 1.918 8.675 2.049 461 HA LYS 61 HA LYS 61 -0.495 9.017 0.481 462 HB2 LYS 61 HB2 LYS 61 0.764 10.316 2.920 463 HB3 LYS 61 HB3 LYS 61 -0.353 11.275 1.977 464 HG2 LYS 61 HG2 LYS 61 -1.879 10.413 3.350 465 HG3 LYS 61 HG3 LYS 61 -1.934 9.162 2.149 466 HD2 LYS 61 HD2 LYS 61 -0.471 9.125 4.837 467 HD3 LYS 61 HD3 LYS 61 -1.975 8.306 4.438 468 HE2 LYS 61 HE2 LYS 61 -0.932 6.489 3.799 469 HE3 LYS 61 HE3 LYS 61 -0.067 7.376 2.556 470 HZ1 LYS 61 HZ1 LYS 61 0.874 7.210 5.362 471 HZ2 LYS 61 HZ2 LYS 61 1.697 7.797 4.087 472 HZ3 LYS 61 HZ3 LYS 61 1.378 6.202 4.134 473 H VAL 62 H VAL 62 -1.078 11.071 -0.656 474 HA VAL 62 HA VAL 62 1.187 12.667 -1.519 475 HB VAL 62 HB VAL 62 1.069 10.591 -2.974 476 HG11 VAL 62 HG11 VAL 62 -1.488 11.883 -4.025 477 HG12 VAL 62 HG12 VAL 62 -0.629 10.531 -4.753 478 HG13 VAL 62 HG13 VAL 62 -1.352 10.351 -3.147 479 HG21 VAL 62 HG21 VAL 62 0.681 13.214 -4.480 480 HG22 VAL 62 HG22 VAL 62 2.176 12.736 -3.637 481 HG23 VAL 62 HG23 VAL 62 1.593 11.758 -4.974 482 H GLY 63 H GLY 63 0.430 14.611 -2.642 483 HA2 GLY 63 HA2 GLY 63 -1.748 15.691 -3.476 484 HA3 GLY 63 HA3 GLY 63 -2.330 15.334 -1.850 485 H LEU 64 H LEU 64 -0.216 15.826 -0.310 486 HA LEU 64 HA LEU 64 -0.291 18.750 -0.140 487 HB2 LEU 64 HB2 LEU 64 0.504 16.534 1.642 488 HB3 LEU 64 HB3 LEU 64 1.701 17.791 1.661 489 HG LEU 64 HG LEU 64 0.214 18.129 3.462 490 HD11 LEU 64 HD11 LEU 64 -0.327 20.289 1.387 491 HD12 LEU 64 HD12 LEU 64 1.160 20.121 2.347 492 HD13 LEU 64 HD13 LEU 64 -0.375 20.445 3.153 493 HD21 LEU 64 HD21 LEU 64 -1.805 17.054 2.627 494 HD22 LEU 64 HD22 LEU 64 -2.035 18.354 1.445 495 HD23 LEU 64 HD23 LEU 64 -2.154 18.695 3.188 496 H ALA 65 H ALA 65 1.927 19.818 0.484 497 HA ALA 65 HA ALA 65 3.913 19.340 -1.676 498 HB1 ALA 65 HB1 ALA 65 2.662 21.463 -1.967 499 HB2 ALA 65 HB2 ALA 65 3.054 21.934 -0.294 500 HB3 ALA 65 HB3 ALA 65 4.342 21.783 -1.503 501 H ALA 66 H ALA 66 6.129 20.247 -0.843 502 HA ALA 66 HA ALA 66 7.896 20.033 0.515 503 HB1 ALA 66 HB1 ALA 66 5.967 20.850 2.714 504 HB2 ALA 66 HB2 ALA 66 7.727 20.812 2.838 505 HB3 ALA 66 HB3 ALA 66 6.949 21.928 1.691 506 H ALA 67 H ALA 67 7.846 17.831 -0.149 507 HA ALA 67 HA ALA 67 8.294 15.963 1.917 508 HB1 ALA 67 HB1 ALA 67 6.678 14.247 1.026 509 HB2 ALA 67 HB2 ALA 67 5.889 15.583 1.878 510 HB3 ALA 67 HB3 ALA 67 5.886 15.521 0.081 511 H1 THR 101 H THR 101 -2.281 -11.511 10.117 512 HA THR 101 HA THR 101 -1.315 -10.268 7.617 513 HB THR 101 HB THR 101 0.194 -11.540 9.909 514 HG1 THR 101 HG1 THR 101 -0.042 -9.261 9.975 515 HG21 THR 101 HG21 THR 101 1.187 -10.985 7.086 516 HG22 THR 101 HG22 THR 101 1.126 -12.560 7.888 517 HG23 THR 101 HG23 THR 101 2.221 -11.328 8.502 518 H LYS 102 H LYS 102 -2.077 -11.479 5.906 519 HA LYS 102 HA LYS 102 -2.700 -14.286 6.338 520 HB2 LYS 102 HB2 LYS 102 -3.800 -14.284 4.395 521 HB3 LYS 102 HB3 LYS 102 -3.835 -12.587 4.775 522 HG2 LYS 102 HG2 LYS 102 -3.379 -12.531 2.552 523 HG3 LYS 102 HG3 LYS 102 -1.757 -12.352 3.216 524 HD2 LYS 102 HD2 LYS 102 -1.911 -13.804 1.219 525 HD3 LYS 102 HD3 LYS 102 -1.265 -14.705 2.586 526 HE2 LYS 102 HE2 LYS 102 -3.438 -15.761 2.986 527 HE3 LYS 102 HE3 LYS 102 -4.209 -14.705 1.798 528 HZ1 LYS 102 HZ1 LYS 102 -2.210 -16.795 1.158 529 HZ2 LYS 102 HZ2 LYS 102 -2.971 -15.785 0.062 530 HZ3 LYS 102 HZ3 LYS 102 -3.838 -16.845 0.898 531 H GLY 103 H GLY 103 0.291 -12.735 5.354 532 HA2 GLY 103 HA2 GLY 103 1.753 -15.132 5.470 533 HA3 GLY 103 HA3 GLY 103 1.492 -14.666 3.768 534 HA PRO 104 HA PRO 104 4.809 -11.966 5.924 535 HB2 PRO 104 HB2 PRO 104 7.104 -12.951 4.782 536 HB3 PRO 104 HB3 PRO 104 6.407 -13.545 6.324 537 HG2 PRO 104 HG2 PRO 104 6.155 -14.769 3.575 538 HG3 PRO 104 HG3 PRO 104 6.459 -15.584 5.134 539 HD2 PRO 104 HD2 PRO 104 3.964 -15.419 3.952 540 HD3 PRO 104 HD3 PRO 104 4.184 -15.459 5.727 541 H ALA 105 H ALA 105 5.027 -10.126 4.959 542 HA ALA 105 HA ALA 105 4.419 -9.570 2.213 543 HB1 ALA 105 HB1 ALA 105 4.118 -7.413 3.070 544 HB2 ALA 105 HB2 ALA 105 3.855 -8.344 4.495 545 HB3 ALA 105 HB3 ALA 105 5.445 -7.594 4.273 546 HA PRO 106 HA PRO 106 8.586 -9.011 0.732 547 HB2 PRO 106 HB2 PRO 106 8.489 -6.895 -0.955 548 HB3 PRO 106 HB3 PRO 106 7.284 -8.218 -0.981 549 HG2 PRO 106 HG2 PRO 106 6.974 -5.607 0.471 550 HG3 PRO 106 HG3 PRO 106 5.991 -6.196 -0.895 551 HD2 PRO 106 HD2 PRO 106 5.449 -6.660 1.743 552 HD3 PRO 106 HD3 PRO 106 5.016 -7.896 0.527 553 H ASN 107 H ASN 107 7.601 -7.094 2.939 554 HA ASN 107 HA ASN 107 9.336 -4.862 3.208 555 HB2 ASN 107 HB2 ASN 107 8.656 -4.493 5.342 556 HB3 ASN 107 HB3 ASN 107 7.283 -5.407 4.686 557 HD21 ASN 107 HD21 ASN 107 8.375 -4.889 7.507 558 HD22 ASN 107 HD22 ASN 107 8.388 -6.471 8.217 559 HA PRO 108 HA PRO 108 10.746 -3.641 5.093 560 HB2 PRO 108 HB2 PRO 108 13.312 -2.691 4.705 561 HB3 PRO 108 HB3 PRO 108 12.774 -3.544 6.181 562 HG2 PRO 108 HG2 PRO 108 14.178 -4.703 3.764 563 HG3 PRO 108 HG3 PRO 108 14.645 -4.853 5.491 564 HD2 PRO 108 HD2 PRO 108 13.202 -6.795 4.276 565 HD3 PRO 108 HD3 PRO 108 12.778 -6.289 5.944 566 HA PRO 109 HA PRO 109 10.367 -2.108 0.957 567 HB2 PRO 109 HB2 PRO 109 10.731 0.604 1.105 568 HB3 PRO 109 HB3 PRO 109 9.368 -0.266 1.850 569 HG2 PRO 109 HG2 PRO 109 11.949 0.624 3.151 570 HG3 PRO 109 HG3 PRO 109 10.280 0.916 3.745 571 HD2 PRO 109 HD2 PRO 109 11.849 -1.142 4.634 572 HD3 PRO 109 HD3 PRO 109 10.082 -1.310 4.501 573 HA PRO 110 HA PRO 110 14.291 -1.845 -1.018 574 HB2 PRO 110 HB2 PRO 110 13.816 -0.260 -3.258 575 HB3 PRO 110 HB3 PRO 110 13.257 -1.948 -3.062 576 HG2 PRO 110 HG2 PRO 110 11.707 0.600 -2.558 577 HG3 PRO 110 HG3 PRO 110 11.194 -0.852 -3.478 578 HD2 PRO 110 HD2 PRO 110 10.435 -0.521 -0.912 579 HD3 PRO 110 HD3 PRO 110 10.969 -2.126 -1.500 580 H ILE 111 H ILE 111 12.871 1.485 -1.266 581 HA ILE 111 HA ILE 111 15.248 2.504 0.212 582 HB ILE 111 HB ILE 111 15.528 4.271 -1.431 583 HG12 ILE 111 HG12 ILE 111 13.424 2.863 -3.169 584 HG13 ILE 111 HG13 ILE 111 13.271 4.438 -2.345 585 HG21 ILE 111 HG21 ILE 111 16.613 2.947 -3.130 586 HG22 ILE 111 HG22 ILE 111 16.753 2.074 -1.606 587 HG23 ILE 111 HG23 ILE 111 15.578 1.561 -2.839 588 HD11 ILE 111 HD11 ILE 111 15.086 3.741 -4.673 589 HD12 ILE 111 HD12 ILE 111 13.780 4.934 -4.612 590 HD13 ILE 111 HD13 ILE 111 15.272 5.228 -3.715 591 H LEU 112 H LEU 112 11.839 2.568 0.111 592 HA LEU 112 HA LEU 112 11.439 5.282 0.864 593 HB2 LEU 112 HB2 LEU 112 9.797 3.408 0.018 594 HB3 LEU 112 HB3 LEU 112 9.611 3.013 1.713 595 HG LEU 112 HG LEU 112 8.754 5.321 2.145 596 HD11 LEU 112 HD11 LEU 112 8.849 5.671 -0.880 597 HD12 LEU 112 HD12 LEU 112 9.871 6.553 0.263 598 HD13 LEU 112 HD13 LEU 112 8.131 6.801 0.286 599 HD21 LEU 112 HD21 LEU 112 7.376 3.676 -0.051 600 HD22 LEU 112 HD22 LEU 112 6.612 5.067 0.761 601 HD23 LEU 112 HD23 LEU 112 7.075 3.669 1.707 602 H LYS 113 H LYS 113 11.265 6.341 2.868 603 HA LYS 113 HA LYS 113 11.753 4.759 5.339 604 HB2 LYS 113 HB2 LYS 113 13.565 6.577 4.029 605 HB3 LYS 113 HB3 LYS 113 12.977 7.410 5.443 606 HG2 LYS 113 HG2 LYS 113 14.579 6.322 6.560 607 HG3 LYS 113 HG3 LYS 113 13.562 4.884 6.469 608 HD2 LYS 113 HD2 LYS 113 14.714 4.286 4.277 609 HD3 LYS 113 HD3 LYS 113 15.734 5.713 4.480 610 HE2 LYS 113 HE2 LYS 113 17.001 3.832 5.234 611 HE3 LYS 113 HE3 LYS 113 16.571 4.801 6.652 612 HZ1 LYS 113 HZ1 LYS 113 16.274 2.401 6.944 613 HZ2 LYS 113 HZ2 LYS 113 15.093 2.402 5.782 614 HZ3 LYS 113 HZ3 LYS 113 14.909 3.243 7.212 615 H VAL 114 H VAL 114 11.627 6.580 7.260 616 HA VAL 114 HA VAL 114 9.129 8.151 6.969 617 HB VAL 114 HB VAL 114 9.709 5.895 8.927 618 HG11 VAL 114 HG11 VAL 114 8.754 7.548 10.398 619 HG12 VAL 114 HG12 VAL 114 7.491 7.942 9.202 620 HG13 VAL 114 HG13 VAL 114 7.507 6.368 10.023 621 HG21 VAL 114 HG21 VAL 114 7.497 5.074 8.158 622 HG22 VAL 114 HG22 VAL 114 7.340 6.476 7.103 623 HG23 VAL 114 HG23 VAL 114 8.599 5.256 6.796 624 H TRP 115 H TRP 115 12.433 8.353 7.729 625 HA TRP 115 HA TRP 115 12.016 10.806 9.129 626 HB2 TRP 115 HB2 TRP 115 12.008 8.980 10.933 627 HB3 TRP 115 HB3 TRP 115 13.658 8.631 10.463 628 HD1 TRP 115 HD1 TRP 115 14.520 9.085 12.808 629 HE1 TRP 115 HE1 TRP 115 14.955 11.135 14.258 630 HE3 TRP 115 HE3 TRP 115 12.109 12.670 9.980 631 HZ2 TRP 115 HZ2 TRP 115 14.404 13.943 14.198 632 HZ3 TRP 115 HZ3 TRP 115 12.208 15.015 10.653 633 HH2 TRP 115 HH2 TRP 115 13.373 15.696 12.739 Start of MODEL 10 1 H1 MET 1 H MET 1 -14.668 7.380 14.363 2 HA MET 1 HA MET 1 -16.578 7.657 12.871 3 HB2 MET 1 HB2 MET 1 -15.064 9.556 13.669 4 HB3 MET 1 HB3 MET 1 -14.342 9.545 12.061 5 HG2 MET 1 HG2 MET 1 -16.596 9.990 11.093 6 HG3 MET 1 HG3 MET 1 -17.306 9.878 12.706 7 HE1 MET 1 HE1 MET 1 -15.316 11.976 10.135 8 HE2 MET 1 HE2 MET 1 -14.679 13.325 11.100 9 HE3 MET 1 HE3 MET 1 -14.019 11.694 11.314 10 H LYS 2 H LYS 2 -16.121 5.432 11.747 11 HA LYS 2 HA LYS 2 -16.253 4.229 9.915 12 HB2 LYS 2 HB2 LYS 2 -17.653 6.211 9.231 13 HB3 LYS 2 HB3 LYS 2 -16.307 6.742 8.216 14 HG2 LYS 2 HG2 LYS 2 -16.772 5.212 6.606 15 HG3 LYS 2 HG3 LYS 2 -17.101 3.927 7.775 16 HD2 LYS 2 HD2 LYS 2 -19.119 4.512 6.475 17 HD3 LYS 2 HD3 LYS 2 -19.297 4.732 8.221 18 HE2 LYS 2 HE2 LYS 2 -18.803 7.225 7.822 19 HE3 LYS 2 HE3 LYS 2 -18.958 6.885 6.092 20 HZ1 LYS 2 HZ1 LYS 2 -21.048 7.649 7.056 21 HZ2 LYS 2 HZ2 LYS 2 -21.059 6.379 8.125 22 HZ3 LYS 2 HZ3 LYS 2 -21.218 6.130 6.525 23 H VAL 3 H VAL 3 -15.128 3.996 7.541 24 HA VAL 3 HA VAL 3 -12.211 4.438 7.930 25 HB VAL 3 HB VAL 3 -13.522 1.941 6.789 26 HG11 VAL 3 HG11 VAL 3 -11.267 0.974 7.050 27 HG12 VAL 3 HG12 VAL 3 -11.200 2.394 5.999 28 HG13 VAL 3 HG13 VAL 3 -10.665 2.523 7.688 29 HG21 VAL 3 HG21 VAL 3 -14.068 2.002 9.177 30 HG22 VAL 3 HG22 VAL 3 -12.828 0.803 8.865 31 HG23 VAL 3 HG23 VAL 3 -12.377 2.373 9.576 32 HA PRO 4 HA PRO 4 -13.702 6.108 3.846 33 HB2 PRO 4 HB2 PRO 4 -12.343 8.478 3.850 34 HB3 PRO 4 HB3 PRO 4 -13.916 8.269 4.677 35 HG2 PRO 4 HG2 PRO 4 -11.144 8.185 5.891 36 HG3 PRO 4 HG3 PRO 4 -12.593 9.039 6.504 37 HD2 PRO 4 HD2 PRO 4 -11.772 6.573 7.411 38 HD3 PRO 4 HD3 PRO 4 -13.499 7.054 7.364 39 H GLY 5 H GLY 5 -12.399 5.887 1.899 40 HA2 GLY 5 HA2 GLY 5 -10.074 4.352 2.115 41 HA3 GLY 5 HA3 GLY 5 -10.629 5.226 0.672 42 H VAL 6 H VAL 6 -7.869 4.903 2.138 43 HA VAL 6 HA VAL 6 -7.238 7.809 2.496 44 HB VAL 6 HB VAL 6 -5.453 5.413 3.070 45 HG11 VAL 6 HG11 VAL 6 -4.271 7.541 2.702 46 HG12 VAL 6 HG12 VAL 6 -5.236 8.290 3.979 47 HG13 VAL 6 HG13 VAL 6 -4.120 6.968 4.365 48 HG21 VAL 6 HG21 VAL 6 -7.327 5.191 4.598 49 HG22 VAL 6 HG22 VAL 6 -5.975 5.909 5.505 50 HG23 VAL 6 HG23 VAL 6 -7.303 6.927 4.937 51 H ARG 7 H ARG 7 -6.590 8.756 0.659 52 HA ARG 7 HA ARG 7 -5.873 7.232 -1.711 53 HB2 ARG 7 HB2 ARG 7 -7.190 9.257 -1.921 54 HB3 ARG 7 HB3 ARG 7 -6.033 10.197 -0.997 55 HG2 ARG 7 HG2 ARG 7 -4.785 8.936 -3.362 56 HG3 ARG 7 HG3 ARG 7 -6.155 9.961 -3.803 57 HD2 ARG 7 HD2 ARG 7 -3.935 10.892 -1.939 58 HD3 ARG 7 HD3 ARG 7 -3.840 11.014 -3.682 59 HE ARG 7 HE ARG 7 -5.919 12.361 -2.002 60 HH11 ARG 7 HH11 ARG 7 -4.274 12.188 -5.153 61 HH12 ARG 7 HH12 ARG 7 -4.451 13.894 -5.459 62 HH21 ARG 7 HH21 ARG 7 -6.170 14.602 -2.450 63 HH22 ARG 7 HH22 ARG 7 -5.689 15.251 -3.970 64 H VAL 8 H VAL 8 -3.911 6.358 -1.942 65 HA VAL 8 HA VAL 8 -1.525 7.921 -1.108 66 HB VAL 8 HB VAL 8 -0.516 5.966 -0.133 67 HG11 VAL 8 HG11 VAL 8 -1.742 5.689 1.853 68 HG12 VAL 8 HG12 VAL 8 -2.123 7.316 1.293 69 HG13 VAL 8 HG13 VAL 8 -3.289 6.012 1.067 70 HG21 VAL 8 HG21 VAL 8 -1.346 4.102 -1.375 71 HG22 VAL 8 HG22 VAL 8 -1.886 3.871 0.291 72 HG23 VAL 8 HG23 VAL 8 -3.039 4.451 -0.910 73 H ARG 9 H ARG 9 0.041 7.999 -2.750 74 HA ARG 9 HA ARG 9 -0.699 6.587 -5.290 75 HB2 ARG 9 HB2 ARG 9 -0.502 9.128 -5.209 76 HB3 ARG 9 HB3 ARG 9 1.233 8.910 -4.991 77 HG2 ARG 9 HG2 ARG 9 1.168 7.495 -7.151 78 HG3 ARG 9 HG3 ARG 9 -0.512 7.987 -7.327 79 HD2 ARG 9 HD2 ARG 9 0.774 9.471 -8.697 80 HD3 ARG 9 HD3 ARG 9 0.293 10.414 -7.269 81 HE ARG 9 HE ARG 9 2.880 8.962 -7.285 82 HH11 ARG 9 HH11 ARG 9 1.501 12.253 -7.487 83 HH12 ARG 9 HH12 ARG 9 2.860 12.941 -6.640 84 HH21 ARG 9 HH21 ARG 9 4.558 9.829 -6.380 85 HH22 ARG 9 HH22 ARG 9 4.790 11.545 -6.199 86 H ALA 10 H ALA 10 0.446 4.746 -5.648 87 HA ALA 10 HA ALA 10 2.554 3.875 -3.976 88 HB1 ALA 10 HB1 ALA 10 2.948 2.238 -5.892 89 HB2 ALA 10 HB2 ALA 10 1.290 2.281 -5.242 90 HB3 ALA 10 HB3 ALA 10 1.667 3.097 -6.772 91 H LEU 11 H LEU 11 4.699 4.080 -4.012 92 HA LEU 11 HA LEU 11 5.899 6.089 -5.812 93 HB2 LEU 11 HB2 LEU 11 6.732 4.677 -3.269 94 HB3 LEU 11 HB3 LEU 11 7.846 5.714 -4.154 95 HG LEU 11 HG LEU 11 5.140 6.712 -3.176 96 HD11 LEU 11 HD11 LEU 11 6.342 7.659 -1.235 97 HD12 LEU 11 HD12 LEU 11 7.820 6.815 -1.730 98 HD13 LEU 11 HD13 LEU 11 6.392 5.890 -1.225 99 HD21 LEU 11 HD21 LEU 11 6.359 8.054 -4.940 100 HD22 LEU 11 HD22 LEU 11 7.728 8.183 -3.828 101 HD23 LEU 11 HD23 LEU 11 6.148 8.901 -3.403 102 H TYR 12 H TYR 12 6.034 2.583 -5.273 103 HA TYR 12 HA TYR 12 8.112 2.431 -7.380 104 HB2 TYR 12 HB2 TYR 12 8.051 0.297 -5.302 105 HB3 TYR 12 HB3 TYR 12 9.403 0.961 -6.199 106 HD1 TYR 12 HD1 TYR 12 7.187 1.350 -3.318 107 HD2 TYR 12 HD2 TYR 12 10.636 3.000 -5.287 108 HE1 TYR 12 HE1 TYR 12 7.577 2.880 -1.369 109 HE2 TYR 12 HE2 TYR 12 11.034 4.459 -3.349 110 HH TYR 12 HH TYR 12 8.942 4.451 -0.414 111 H ASP 13 H ASP 13 8.195 0.346 -8.373 112 HA ASP 13 HA ASP 13 5.491 -0.620 -9.156 113 HB2 ASP 13 HB2 ASP 13 8.244 -0.977 -10.381 114 HB3 ASP 13 HB3 ASP 13 6.756 -1.665 -11.050 115 H TYR 14 H TYR 14 4.948 -2.097 -7.414 116 HA TYR 14 HA TYR 14 6.407 -4.691 -7.495 117 HB2 TYR 14 HB2 TYR 14 5.927 -2.865 -5.147 118 HB3 TYR 14 HB3 TYR 14 5.681 -4.575 -4.913 119 HD1 TYR 14 HD1 TYR 14 7.502 -5.988 -4.317 120 HD2 TYR 14 HD2 TYR 14 8.297 -2.230 -6.306 121 HE1 TYR 14 HE1 TYR 14 9.917 -6.503 -4.342 122 HE2 TYR 14 HE2 TYR 14 10.705 -2.728 -6.302 123 HH TYR 14 HH TYR 14 12.354 -4.261 -5.758 124 H THR 15 H THR 15 5.090 -6.510 -6.889 125 HA THR 15 HA THR 15 2.179 -5.972 -6.602 126 HB THR 15 HB THR 15 2.725 -6.262 -8.940 127 HG1 THR 15 HG1 THR 15 1.541 -8.415 -9.157 128 HG21 THR 15 HG21 THR 15 4.845 -7.653 -8.712 129 HG22 THR 15 HG22 THR 15 3.710 -8.154 -9.966 130 HG23 THR 15 HG23 THR 15 3.807 -9.061 -8.449 131 H GLY 16 H GLY 16 2.482 -6.414 -4.371 132 HA2 GLY 16 HA2 GLY 16 2.653 -7.715 -2.486 133 HA3 GLY 16 HA3 GLY 16 1.771 -8.830 -3.506 134 H GLN 17 H GLN 17 2.649 -10.474 -2.181 135 HA GLN 17 HA GLN 17 5.270 -11.435 -3.007 136 HB2 GLN 17 HB2 GLN 17 5.186 -10.319 -0.546 137 HB3 GLN 17 HB3 GLN 17 4.603 -11.906 -0.095 138 HG2 GLN 17 HG2 GLN 17 7.201 -11.377 -1.621 139 HG3 GLN 17 HG3 GLN 17 7.102 -11.448 0.129 140 HE21 GLN 17 HE21 GLN 17 7.983 -13.319 -2.531 141 HE22 GLN 17 HE22 GLN 17 7.711 -14.881 -1.809 142 H GLU 18 H GLU 18 1.885 -12.091 -2.707 143 HA GLU 18 HA GLU 18 2.455 -14.988 -2.877 144 HB2 GLU 18 HB2 GLU 18 1.690 -13.878 -0.552 145 HB3 GLU 18 HB3 GLU 18 0.098 -13.958 -1.287 146 HG2 GLU 18 HG2 GLU 18 0.329 -16.409 -1.498 147 HG3 GLU 18 HG3 GLU 18 1.998 -16.324 -0.915 148 H ALA 19 H ALA 19 -0.021 -15.980 -3.268 149 HA ALA 19 HA ALA 19 -0.773 -14.871 -5.875 150 HB1 ALA 19 HB1 ALA 19 -2.037 -16.926 -6.126 151 HB2 ALA 19 HB2 ALA 19 -0.388 -17.287 -5.618 152 HB3 ALA 19 HB3 ALA 19 -1.729 -17.373 -4.437 153 H ASP 20 H ASP 20 -1.774 -14.049 -2.772 154 HA ASP 20 HA ASP 20 -4.460 -13.368 -3.803 155 HB2 ASP 20 HB2 ASP 20 -4.522 -15.509 -2.437 156 HB3 ASP 20 HB3 ASP 20 -4.181 -14.502 -1.018 157 H GLU 21 H GLU 21 -2.326 -11.659 -3.637 158 HA GLU 21 HA GLU 21 -2.989 -9.619 -1.633 159 HB2 GLU 21 HB2 GLU 21 -0.618 -8.811 -2.410 160 HB3 GLU 21 HB3 GLU 21 -0.812 -10.075 -1.200 161 HG2 GLU 21 HG2 GLU 21 0.951 -10.613 -2.785 162 HG3 GLU 21 HG3 GLU 21 -0.321 -11.800 -2.787 163 H LEU 22 H LEU 22 -2.256 -7.419 -2.772 164 HA LEU 22 HA LEU 22 -3.964 -7.021 -5.128 165 HB2 LEU 22 HB2 LEU 22 -4.163 -5.839 -2.783 166 HB3 LEU 22 HB3 LEU 22 -2.685 -5.018 -3.212 167 HG LEU 22 HG LEU 22 -3.752 -3.770 -4.897 168 HD11 LEU 22 HD11 LEU 22 -5.937 -5.871 -4.740 169 HD12 LEU 22 HD12 LEU 22 -5.031 -5.307 -6.134 170 HD13 LEU 22 HD13 LEU 22 -6.269 -4.270 -5.431 171 HD21 LEU 22 HD21 LEU 22 -4.321 -3.067 -2.606 172 HD22 LEU 22 HD22 LEU 22 -5.737 -4.136 -2.602 173 HD23 LEU 22 HD23 LEU 22 -5.682 -2.739 -3.674 174 H SER 23 H SER 23 -3.035 -5.444 -6.791 175 HA SER 23 HA SER 23 -0.052 -5.431 -6.849 176 HB2 SER 23 HB2 SER 23 -2.072 -5.989 -9.075 177 HB3 SER 23 HB3 SER 23 -0.307 -6.025 -9.227 178 HG SER 23 HG SER 23 -0.209 -7.814 -8.042 179 H PHE 24 H PHE 24 0.818 -3.331 -7.307 180 HA PHE 24 HA PHE 24 -0.972 -1.393 -8.672 181 HB2 PHE 24 HB2 PHE 24 -0.405 0.336 -7.087 182 HB3 PHE 24 HB3 PHE 24 -1.346 -0.948 -6.360 183 HD1 PHE 24 HD1 PHE 24 2.245 0.111 -6.835 184 HD2 PHE 24 HD2 PHE 24 -0.666 -1.722 -4.211 185 HE1 PHE 24 HE1 PHE 24 3.955 -0.066 -5.071 186 HE2 PHE 24 HE2 PHE 24 1.063 -1.765 -2.406 187 HZ PHE 24 HZ PHE 24 3.347 -1.003 -2.851 188 H LYS 25 H LYS 25 0.437 0.518 -9.451 189 HA LYS 25 HA LYS 25 3.265 -0.314 -9.946 190 HB2 LYS 25 HB2 LYS 25 1.185 0.730 -11.912 191 HB3 LYS 25 HB3 LYS 25 2.906 1.002 -12.146 192 HG2 LYS 25 HG2 LYS 25 2.425 -0.875 -13.420 193 HG3 LYS 25 HG3 LYS 25 3.316 -1.465 -12.022 194 HD2 LYS 25 HD2 LYS 25 1.343 -2.433 -11.058 195 HD3 LYS 25 HD3 LYS 25 0.273 -1.604 -12.193 196 HE2 LYS 25 HE2 LYS 25 2.428 -3.610 -13.000 197 HE3 LYS 25 HE3 LYS 25 0.764 -4.076 -12.620 198 HZ1 LYS 25 HZ1 LYS 25 -0.026 -2.755 -14.398 199 HZ2 LYS 25 HZ2 LYS 25 1.144 -3.757 -14.974 200 HZ3 LYS 25 HZ3 LYS 25 1.458 -2.155 -14.767 201 H ALA 26 H ALA 26 4.707 1.558 -10.305 202 HA ALA 26 HA ALA 26 4.276 3.545 -8.327 203 HB1 ALA 26 HB1 ALA 26 6.541 2.887 -9.172 204 HB2 ALA 26 HB2 ALA 26 6.196 3.714 -10.694 205 HB3 ALA 26 HB3 ALA 26 6.272 4.634 -9.187 206 H GLY 27 H GLY 27 2.953 5.218 -8.386 207 HA2 GLY 27 HA2 GLY 27 2.282 7.326 -9.355 208 HA3 GLY 27 HA3 GLY 27 2.225 6.550 -10.939 209 H GLU 28 H GLU 28 0.904 4.122 -9.313 210 HA GLU 28 HA GLU 28 -1.770 4.917 -9.995 211 HB2 GLU 28 HB2 GLU 28 -0.564 2.567 -10.104 212 HB3 GLU 28 HB3 GLU 28 -0.985 2.440 -8.404 213 HG2 GLU 28 HG2 GLU 28 -2.784 1.403 -9.492 214 HG3 GLU 28 HG3 GLU 28 -3.421 3.024 -9.217 215 H GLU 29 H GLU 29 -3.361 5.776 -8.653 216 HA GLU 29 HA GLU 29 -2.680 6.237 -5.806 217 HB2 GLU 29 HB2 GLU 29 -4.829 7.314 -7.663 218 HB3 GLU 29 HB3 GLU 29 -4.866 7.543 -5.908 219 HG2 GLU 29 HG2 GLU 29 -2.671 8.656 -5.965 220 HG3 GLU 29 HG3 GLU 29 -2.646 8.513 -7.736 221 H LEU 30 H LEU 30 -3.194 4.580 -4.508 222 HA LEU 30 HA LEU 30 -5.654 2.958 -5.030 223 HB2 LEU 30 HB2 LEU 30 -4.628 1.500 -3.206 224 HB3 LEU 30 HB3 LEU 30 -3.901 1.378 -4.832 225 HG LEU 30 HG LEU 30 -2.690 3.310 -2.898 226 HD11 LEU 30 HD11 LEU 30 -3.117 1.438 -1.387 227 HD12 LEU 30 HD12 LEU 30 -1.397 1.558 -1.739 228 HD13 LEU 30 HD13 LEU 30 -2.357 0.303 -2.545 229 HD21 LEU 30 HD21 LEU 30 -0.592 2.537 -3.853 230 HD22 LEU 30 HD22 LEU 30 -1.723 2.904 -5.164 231 HD23 LEU 30 HD23 LEU 30 -1.419 1.222 -4.711 232 H MET 31 H MET 31 -6.965 2.424 -3.238 233 HA MET 31 HA MET 31 -7.000 4.535 -1.140 234 HB2 MET 31 HB2 MET 31 -9.472 2.949 -1.822 235 HB3 MET 31 HB3 MET 31 -9.257 4.442 -0.948 236 HG2 MET 31 HG2 MET 31 -8.223 5.113 -3.435 237 HG3 MET 31 HG3 MET 31 -9.528 4.001 -3.838 238 HE1 MET 31 HE1 MET 31 -8.509 7.527 -3.201 239 HE2 MET 31 HE2 MET 31 -9.765 8.261 -2.179 240 HE3 MET 31 HE3 MET 31 -8.642 7.069 -1.484 241 H LYS 32 H LYS 32 -6.193 3.782 0.741 242 HA LYS 32 HA LYS 32 -6.013 0.942 1.355 243 HB2 LYS 32 HB2 LYS 32 -4.517 2.704 2.238 244 HB3 LYS 32 HB3 LYS 32 -5.878 3.375 3.175 245 HG2 LYS 32 HG2 LYS 32 -6.144 1.194 4.388 246 HG3 LYS 32 HG3 LYS 32 -4.695 0.615 3.566 247 HD2 LYS 32 HD2 LYS 32 -3.975 1.266 5.683 248 HD3 LYS 32 HD3 LYS 32 -3.455 2.593 4.636 249 HE2 LYS 32 HE2 LYS 32 -5.499 3.881 5.403 250 HE3 LYS 32 HE3 LYS 32 -5.899 2.516 6.465 251 HZ1 LYS 32 HZ1 LYS 32 -3.687 2.881 7.511 252 HZ2 LYS 32 HZ2 LYS 32 -4.761 4.065 7.800 253 HZ3 LYS 32 HZ3 LYS 32 -3.551 4.304 6.720 254 H ILE 33 H ILE 33 -7.440 -0.329 2.776 255 HA ILE 33 HA ILE 33 -9.807 1.136 3.775 256 HB ILE 33 HB ILE 33 -11.306 -0.335 2.957 257 HG12 ILE 33 HG12 ILE 33 -9.777 -2.125 1.202 258 HG13 ILE 33 HG13 ILE 33 -9.403 -2.379 2.906 259 HG21 ILE 33 HG21 ILE 33 -9.577 0.185 0.546 260 HG22 ILE 33 HG22 ILE 33 -11.326 -0.066 0.587 261 HG23 ILE 33 HG23 ILE 33 -10.622 1.377 1.338 262 HD11 ILE 33 HD11 ILE 33 -11.198 -3.814 2.222 263 HD12 ILE 33 HD12 ILE 33 -11.836 -2.622 3.369 264 HD13 ILE 33 HD13 ILE 33 -12.154 -2.445 1.619 265 H SER 34 H SER 34 -7.233 -0.550 4.847 266 HA SER 34 HA SER 34 -8.663 -1.556 7.214 267 HB2 SER 34 HB2 SER 34 -8.339 -3.429 5.609 268 HB3 SER 34 HB3 SER 34 -6.608 -3.101 5.571 269 HG SER 34 HG SER 34 -6.388 -4.252 7.246 270 H GLU 35 H GLU 35 -6.605 -2.356 8.666 271 HA GLU 35 HA GLU 35 -5.124 0.093 9.368 272 HB2 GLU 35 HB2 GLU 35 -4.671 -1.189 11.400 273 HB3 GLU 35 HB3 GLU 35 -6.383 -1.333 11.000 274 HG2 GLU 35 HG2 GLU 35 -5.673 -3.576 9.784 275 HG3 GLU 35 HG3 GLU 35 -4.204 -3.439 10.744 276 H GLU 36 H GLU 36 -2.678 -0.316 10.103 277 HA GLU 36 HA GLU 36 -1.127 -1.510 8.020 278 HB2 GLU 36 HB2 GLU 36 -0.538 0.711 9.067 279 HB3 GLU 36 HB3 GLU 36 -0.691 0.013 10.645 280 HG2 GLU 36 HG2 GLU 36 1.525 -0.039 10.631 281 HG3 GLU 36 HG3 GLU 36 1.350 -1.549 9.763 282 H ASP 37 H ASP 37 -0.673 -3.714 8.243 283 HA ASP 37 HA ASP 37 -1.151 -5.046 10.850 284 HB2 ASP 37 HB2 ASP 37 -0.577 -5.959 8.044 285 HB3 ASP 37 HB3 ASP 37 -0.236 -7.048 9.366 286 H GLU 38 H GLU 38 0.640 -6.450 11.717 287 HA GLU 38 HA GLU 38 2.944 -5.004 12.220 288 HB2 GLU 38 HB2 GLU 38 3.810 -6.989 13.273 289 HB3 GLU 38 HB3 GLU 38 2.091 -6.786 13.633 290 HG2 GLU 38 HG2 GLU 38 1.563 -8.528 11.894 291 HG3 GLU 38 HG3 GLU 38 3.295 -8.721 11.593 292 H GLN 39 H GLN 39 2.523 -7.215 9.549 293 HA GLN 39 HA GLN 39 5.415 -7.145 8.926 294 HB2 GLN 39 HB2 GLN 39 3.491 -9.091 8.730 295 HB3 GLN 39 HB3 GLN 39 3.551 -8.535 7.060 296 HG2 GLN 39 HG2 GLN 39 4.970 -10.481 7.457 297 HG3 GLN 39 HG3 GLN 39 5.954 -9.132 6.974 298 HE21 GLN 39 HE21 GLN 39 7.484 -8.192 8.664 299 HE22 GLN 39 HE22 GLN 39 7.661 -9.034 10.186 300 H GLY 40 H GLY 40 3.235 -4.858 8.675 301 HA2 GLY 40 HA2 GLY 40 3.182 -2.987 7.437 302 HA3 GLY 40 HA3 GLY 40 4.455 -3.609 6.376 303 H TRP 41 H TRP 41 1.440 -5.429 7.050 304 HA TRP 41 HA TRP 41 0.784 -5.362 4.192 305 HB2 TRP 41 HB2 TRP 41 0.230 -7.130 6.549 306 HB3 TRP 41 HB3 TRP 41 -1.079 -6.968 5.406 307 HD1 TRP 41 HD1 TRP 41 1.136 -9.346 6.171 308 HE1 TRP 41 HE1 TRP 41 1.937 -10.789 4.181 309 HE3 TRP 41 HE3 TRP 41 -0.081 -6.157 2.431 310 HZ2 TRP 41 HZ2 TRP 41 2.133 -10.461 1.298 311 HZ3 TRP 41 HZ3 TRP 41 0.407 -6.742 0.060 312 HH2 TRP 41 HH2 TRP 41 1.349 -8.788 -0.533 313 H CYS 42 H CYS 42 -0.995 -4.252 3.369 314 HA CYS 42 HA CYS 42 -2.925 -3.124 5.319 315 HB2 CYS 42 HB2 CYS 42 -1.253 -1.738 3.217 316 HB3 CYS 42 HB3 CYS 42 -2.946 -1.267 3.401 317 HG CYS 42 HG CYS 42 -1.546 0.459 4.612 318 H LYS 43 H LYS 43 -4.949 -3.765 4.770 319 HA LYS 43 HA LYS 43 -5.352 -4.991 2.106 320 HB2 LYS 43 HB2 LYS 43 -6.357 -5.593 4.636 321 HB3 LYS 43 HB3 LYS 43 -7.725 -4.774 3.875 322 HG2 LYS 43 HG2 LYS 43 -6.181 -6.998 2.442 323 HG3 LYS 43 HG3 LYS 43 -7.446 -7.341 3.634 324 HD2 LYS 43 HD2 LYS 43 -9.141 -6.211 2.332 325 HD3 LYS 43 HD3 LYS 43 -7.917 -5.567 1.223 326 HE2 LYS 43 HE2 LYS 43 -8.940 -7.448 0.138 327 HE3 LYS 43 HE3 LYS 43 -7.283 -7.872 0.577 328 HZ1 LYS 43 HZ1 LYS 43 -8.858 -9.605 1.014 329 HZ2 LYS 43 HZ2 LYS 43 -9.673 -8.691 2.113 330 HZ3 LYS 43 HZ3 LYS 43 -8.095 -9.145 2.397 331 H GLY 44 H GLY 44 -6.265 -3.871 0.392 332 HA2 GLY 44 HA2 GLY 44 -7.832 -1.434 0.945 333 HA3 GLY 44 HA3 GLY 44 -6.303 -1.200 0.153 334 H ARG 45 H ARG 45 -7.877 -0.285 -1.435 335 HA ARG 45 HA ARG 45 -8.573 -2.320 -3.450 336 HB2 ARG 45 HB2 ARG 45 -10.616 -1.655 -2.103 337 HB3 ARG 45 HB3 ARG 45 -10.403 -0.003 -2.698 338 HG2 ARG 45 HG2 ARG 45 -10.731 -0.794 -5.023 339 HG3 ARG 45 HG3 ARG 45 -10.751 -2.457 -4.479 340 HD2 ARG 45 HD2 ARG 45 -13.004 -1.859 -4.861 341 HD3 ARG 45 HD3 ARG 45 -12.809 -1.923 -3.101 342 HE ARG 45 HE ARG 45 -12.266 0.720 -3.850 343 HH11 ARG 45 HH11 ARG 45 -15.085 -1.418 -4.249 344 HH12 ARG 45 HH12 ARG 45 -16.185 -0.082 -4.473 345 HH21 ARG 45 HH21 ARG 45 -13.820 2.448 -3.812 346 HH22 ARG 45 HH22 ARG 45 -15.461 2.097 -4.164 347 H LEU 46 H LEU 46 -8.234 -1.611 -5.588 348 HA LEU 46 HA LEU 46 -6.518 0.796 -5.914 349 HB2 LEU 46 HB2 LEU 46 -7.311 -1.559 -7.675 350 HB3 LEU 46 HB3 LEU 46 -6.901 -0.056 -8.444 351 HG LEU 46 HG LEU 46 -4.715 -0.139 -7.003 352 HD11 LEU 46 HD11 LEU 46 -5.427 -2.091 -5.744 353 HD12 LEU 46 HD12 LEU 46 -3.869 -2.269 -6.568 354 HD13 LEU 46 HD13 LEU 46 -5.315 -3.058 -7.240 355 HD21 LEU 46 HD21 LEU 46 -4.829 -0.159 -9.491 356 HD22 LEU 46 HD22 LEU 46 -5.094 -1.915 -9.437 357 HD23 LEU 46 HD23 LEU 46 -3.567 -1.215 -8.852 358 H LEU 47 H LEU 47 -7.117 2.220 -7.843 359 HA LEU 47 HA LEU 47 -9.781 3.287 -7.519 360 HB2 LEU 47 HB2 LEU 47 -9.275 4.723 -9.396 361 HB3 LEU 47 HB3 LEU 47 -7.949 4.692 -8.246 362 HG LEU 47 HG LEU 47 -7.266 2.681 -10.126 363 HD11 LEU 47 HD11 LEU 47 -9.051 3.502 -11.663 364 HD12 LEU 47 HD12 LEU 47 -7.427 3.760 -12.317 365 HD13 LEU 47 HD13 LEU 47 -8.326 5.121 -11.612 366 HD21 LEU 47 HD21 LEU 47 -5.502 4.209 -10.755 367 HD22 LEU 47 HD22 LEU 47 -5.797 4.229 -9.005 368 HD23 LEU 47 HD23 LEU 47 -6.384 5.570 -9.998 369 H THR 48 H THR 48 -8.385 0.825 -9.654 370 HA THR 48 HA THR 48 -10.499 0.689 -11.582 371 HB THR 48 HB THR 48 -9.321 -1.508 -12.044 372 HG1 THR 48 HG1 THR 48 -7.417 -1.919 -10.876 373 HG21 THR 48 HG21 THR 48 -7.426 0.878 -11.794 374 HG22 THR 48 HG22 THR 48 -8.557 0.587 -13.133 375 HG23 THR 48 HG23 THR 48 -7.221 -0.539 -12.836 376 H GLY 49 H GLY 49 -10.321 -0.107 -8.297 377 HA2 GLY 49 HA2 GLY 49 -12.093 -0.984 -7.024 378 HA3 GLY 49 HA3 GLY 49 -12.754 -1.767 -8.470 379 H HIS 50 H HIS 50 -9.491 -2.551 -8.534 380 HA HIS 50 HA HIS 50 -9.960 -5.281 -7.844 381 HB2 HIS 50 HB2 HIS 50 -8.354 -4.517 -9.524 382 HB3 HIS 50 HB3 HIS 50 -7.439 -3.653 -8.304 383 HD1 HIS 50 HD1 HIS 50 -8.426 -7.396 -7.671 384 HD2 HIS 50 HD2 HIS 50 -5.223 -4.921 -8.920 385 HE1 HIS 50 HE1 HIS 50 -6.349 -8.808 -7.587 386 H VAL 51 H VAL 51 -9.591 -6.371 -5.838 387 HA VAL 51 HA VAL 51 -8.769 -4.687 -3.510 388 HB VAL 51 HB VAL 51 -10.231 -6.232 -2.204 389 HG11 VAL 51 HG11 VAL 51 -10.953 -3.965 -2.759 390 HG12 VAL 51 HG12 VAL 51 -11.694 -4.564 -4.271 391 HG13 VAL 51 HG13 VAL 51 -12.321 -5.079 -2.696 392 HG21 VAL 51 HG21 VAL 51 -11.480 -7.025 -4.863 393 HG22 VAL 51 HG22 VAL 51 -10.539 -8.098 -3.797 394 HG23 VAL 51 HG23 VAL 51 -12.072 -7.429 -3.247 395 H GLY 52 H GLY 52 -7.446 -5.626 -1.853 396 HA2 GLY 52 HA2 GLY 52 -6.820 -8.236 -1.467 397 HA3 GLY 52 HA3 GLY 52 -5.690 -7.717 -2.727 398 H LEU 53 H LEU 53 -4.296 -8.373 -0.812 399 HA LEU 53 HA LEU 53 -3.857 -6.376 1.316 400 HB2 LEU 53 HB2 LEU 53 -3.010 -9.197 0.641 401 HB3 LEU 53 HB3 LEU 53 -1.788 -8.211 1.383 402 HG LEU 53 HG LEU 53 -4.479 -8.857 2.604 403 HD11 LEU 53 HD11 LEU 53 -2.783 -10.688 2.486 404 HD12 LEU 53 HD12 LEU 53 -3.106 -10.176 4.161 405 HD13 LEU 53 HD13 LEU 53 -1.620 -9.675 3.345 406 HD21 LEU 53 HD21 LEU 53 -3.962 -6.685 3.446 407 HD22 LEU 53 HD22 LEU 53 -2.234 -7.057 3.543 408 HD23 LEU 53 HD23 LEU 53 -3.386 -7.802 4.679 409 H TYR 54 H TYR 54 -2.224 -4.803 1.058 410 HA TYR 54 HA TYR 54 -0.345 -5.093 -1.188 411 HB2 TYR 54 HB2 TYR 54 -0.640 -2.941 -1.933 412 HB3 TYR 54 HB3 TYR 54 -2.252 -3.524 -1.733 413 HD1 TYR 54 HD1 TYR 54 -3.802 -2.451 -0.216 414 HD2 TYR 54 HD2 TYR 54 0.368 -1.355 -0.203 415 HE1 TYR 54 HE1 TYR 54 -4.313 -0.510 1.234 416 HE2 TYR 54 HE2 TYR 54 -0.140 0.550 1.261 417 HH TYR 54 HH TYR 54 -1.760 1.567 2.628 418 HA PRO 55 HA PRO 55 2.456 -4.284 2.133 419 HB2 PRO 55 HB2 PRO 55 4.767 -3.804 0.822 420 HB3 PRO 55 HB3 PRO 55 3.888 -5.354 0.740 421 HG2 PRO 55 HG2 PRO 55 3.781 -3.146 -1.322 422 HG3 PRO 55 HG3 PRO 55 4.078 -4.895 -1.573 423 HD2 PRO 55 HD2 PRO 55 1.601 -3.859 -1.841 424 HD3 PRO 55 HD3 PRO 55 1.912 -5.500 -1.196 425 H ALA 56 H ALA 56 1.792 -2.509 3.262 426 HA ALA 56 HA ALA 56 1.486 0.136 2.480 427 HB1 ALA 56 HB1 ALA 56 0.753 -0.869 4.670 428 HB2 ALA 56 HB2 ALA 56 2.426 -0.757 5.239 429 HB3 ALA 56 HB3 ALA 56 1.518 0.709 4.850 430 H ASN 57 H ASN 57 4.459 -1.462 3.453 431 HA ASN 57 HA ASN 57 6.197 0.717 3.891 432 HB2 ASN 57 HB2 ASN 57 6.711 -2.014 2.614 433 HB3 ASN 57 HB3 ASN 57 7.972 -0.901 3.097 434 HD21 ASN 57 HD21 ASN 57 6.351 -3.681 4.124 435 HD22 ASN 57 HD22 ASN 57 6.629 -3.383 5.841 436 H TYR 58 H TYR 58 4.911 -0.456 0.807 437 HA TYR 58 HA TYR 58 6.946 0.984 -0.754 438 HB2 TYR 58 HB2 TYR 58 4.878 -1.117 -1.386 439 HB3 TYR 58 HB3 TYR 58 5.794 -0.307 -2.637 440 HD1 TYR 58 HD1 TYR 58 6.300 -2.261 0.526 441 HD2 TYR 58 HD2 TYR 58 7.760 -1.390 -3.424 442 HE1 TYR 58 HE1 TYR 58 8.151 -3.865 0.873 443 HE2 TYR 58 HE2 TYR 58 9.538 -3.082 -3.127 444 HH TYR 58 HH TYR 58 10.659 -4.508 -1.587 445 H VAL 59 H VAL 59 4.246 2.023 0.782 446 HA VAL 59 HA VAL 59 3.429 3.787 -1.460 447 HB VAL 59 HB VAL 59 1.318 3.061 -1.452 448 HG11 VAL 59 HG11 VAL 59 2.112 0.648 0.073 449 HG12 VAL 59 HG12 VAL 59 0.777 0.870 -1.077 450 HG13 VAL 59 HG13 VAL 59 2.425 0.934 -1.657 451 HG21 VAL 59 HG21 VAL 59 -0.085 2.557 0.449 452 HG22 VAL 59 HG22 VAL 59 1.319 2.617 1.551 453 HG23 VAL 59 HG23 VAL 59 0.733 4.076 0.706 454 H GLU 60 H GLU 60 2.356 5.783 -0.688 455 HA GLU 60 HA GLU 60 2.721 6.662 2.042 456 HB2 GLU 60 HB2 GLU 60 5.009 7.005 1.010 457 HB3 GLU 60 HB3 GLU 60 4.250 8.057 -0.204 458 HG2 GLU 60 HG2 GLU 60 3.436 9.547 1.626 459 HG3 GLU 60 HG3 GLU 60 4.160 8.481 2.818 460 H LYS 61 H LYS 61 1.384 8.493 2.410 461 HA LYS 61 HA LYS 61 -0.870 8.888 0.680 462 HB2 LYS 61 HB2 LYS 61 0.220 10.048 3.243 463 HB3 LYS 61 HB3 LYS 61 -0.742 11.137 2.271 464 HG2 LYS 61 HG2 LYS 61 -2.636 9.541 2.264 465 HG3 LYS 61 HG3 LYS 61 -1.675 8.420 3.255 466 HD2 LYS 61 HD2 LYS 61 -3.223 9.676 4.666 467 HD3 LYS 61 HD3 LYS 61 -1.543 10.062 5.049 468 HE2 LYS 61 HE2 LYS 61 -1.832 12.121 3.500 469 HE3 LYS 61 HE3 LYS 61 -3.567 11.762 3.518 470 HZ1 LYS 61 HZ1 LYS 61 -3.486 12.038 5.914 471 HZ2 LYS 61 HZ2 LYS 61 -2.943 13.383 5.187 472 HZ3 LYS 61 HZ3 LYS 61 -1.857 12.342 5.861 473 H VAL 62 H VAL 62 -1.477 10.759 -0.452 474 HA VAL 62 HA VAL 62 0.659 12.657 -1.077 475 HB VAL 62 HB VAL 62 0.553 10.648 -2.658 476 HG11 VAL 62 HG11 VAL 62 -0.973 11.118 -4.658 477 HG12 VAL 62 HG12 VAL 62 -1.754 10.466 -3.201 478 HG13 VAL 62 HG13 VAL 62 -1.883 12.196 -3.637 479 HG21 VAL 62 HG21 VAL 62 0.499 13.460 -3.821 480 HG22 VAL 62 HG22 VAL 62 1.891 12.692 -3.024 481 HG23 VAL 62 HG23 VAL 62 1.252 12.026 -4.530 482 H GLY 63 H GLY 63 -0.500 14.643 -2.332 483 HA2 GLY 63 HA2 GLY 63 -2.626 15.695 -2.723 484 HA3 GLY 63 HA3 GLY 63 -3.265 14.985 -1.245 485 H LEU 64 H LEU 64 -1.822 15.577 0.832 486 HA LEU 64 HA LEU 64 -1.879 18.482 0.909 487 HB2 LEU 64 HB2 LEU 64 -1.773 16.251 2.851 488 HB3 LEU 64 HB3 LEU 64 -0.785 17.605 3.350 489 HG LEU 64 HG LEU 64 -3.645 17.996 2.428 490 HD11 LEU 64 HD11 LEU 64 -4.271 18.017 4.831 491 HD12 LEU 64 HD12 LEU 64 -2.631 17.472 5.244 492 HD13 LEU 64 HD13 LEU 64 -3.704 16.430 4.281 493 HD21 LEU 64 HD21 LEU 64 -1.772 19.689 4.155 494 HD22 LEU 64 HD22 LEU 64 -3.457 20.077 3.804 495 HD23 LEU 64 HD23 LEU 64 -2.282 20.057 2.491 496 H ALA 65 H ALA 65 -0.144 19.672 2.088 497 HA ALA 65 HA ALA 65 2.595 18.978 1.164 498 HB1 ALA 65 HB1 ALA 65 2.868 21.368 0.633 499 HB2 ALA 65 HB2 ALA 65 1.567 20.636 -0.339 500 HB3 ALA 65 HB3 ALA 65 1.171 21.665 1.052 501 H ALA 66 H ALA 66 2.145 18.056 3.504 502 HA ALA 66 HA ALA 66 3.548 19.800 5.362 503 HB1 ALA 66 HB1 ALA 66 1.860 19.575 7.177 504 HB2 ALA 66 HB2 ALA 66 1.269 20.556 5.834 505 HB3 ALA 66 HB3 ALA 66 0.694 18.888 6.015 506 H ALA 67 H ALA 67 1.392 16.958 5.919 507 HA ALA 67 HA ALA 67 3.479 15.005 5.798 508 HB1 ALA 67 HB1 ALA 67 3.743 16.075 8.172 509 HB2 ALA 67 HB2 ALA 67 2.155 15.333 8.514 510 HB3 ALA 67 HB3 ALA 67 3.528 14.331 8.068 511 H1 THR 101 H THR 101 0.665 -13.655 11.186 512 HA THR 101 HA THR 101 -0.650 -11.681 10.440 513 HB THR 101 HB THR 101 1.394 -10.281 10.043 514 HG1 THR 101 HG1 THR 101 -0.696 -9.852 9.033 515 HG21 THR 101 HG21 THR 101 3.005 -11.429 8.844 516 HG22 THR 101 HG22 THR 101 2.247 -10.532 7.534 517 HG23 THR 101 HG23 THR 101 1.832 -12.210 7.750 518 H LYS 102 H LYS 102 -1.052 -11.569 7.719 519 HA LYS 102 HA LYS 102 -2.297 -14.042 7.125 520 HB2 LYS 102 HB2 LYS 102 -2.751 -11.612 6.258 521 HB3 LYS 102 HB3 LYS 102 -1.474 -11.914 5.101 522 HG2 LYS 102 HG2 LYS 102 -3.112 -12.684 3.760 523 HG3 LYS 102 HG3 LYS 102 -3.060 -14.151 4.708 524 HD2 LYS 102 HD2 LYS 102 -4.886 -11.755 5.140 525 HD3 LYS 102 HD3 LYS 102 -5.370 -13.306 4.439 526 HE2 LYS 102 HE2 LYS 102 -5.203 -14.454 6.511 527 HE3 LYS 102 HE3 LYS 102 -4.177 -13.198 7.217 528 HZ1 LYS 102 HZ1 LYS 102 -6.002 -11.707 7.275 529 HZ2 LYS 102 HZ2 LYS 102 -6.289 -13.044 8.136 530 HZ3 LYS 102 HZ3 LYS 102 -7.066 -12.850 6.694 531 H GLY 103 H GLY 103 0.649 -12.546 5.623 532 HA2 GLY 103 HA2 GLY 103 2.012 -15.092 5.481 533 HA3 GLY 103 HA3 GLY 103 1.503 -14.424 3.923 534 HA PRO 104 HA PRO 104 5.490 -12.404 5.637 535 HB2 PRO 104 HB2 PRO 104 7.373 -13.472 3.950 536 HB3 PRO 104 HB3 PRO 104 6.799 -14.316 5.424 537 HG2 PRO 104 HG2 PRO 104 5.837 -14.712 2.596 538 HG3 PRO 104 HG3 PRO 104 6.373 -15.961 3.767 539 HD2 PRO 104 HD2 PRO 104 3.742 -15.350 3.420 540 HD3 PRO 104 HD3 PRO 104 4.391 -15.721 5.049 541 H ALA 105 H ALA 105 4.810 -10.456 4.988 542 HA ALA 105 HA ALA 105 4.341 -9.639 2.341 543 HB1 ALA 105 HB1 ALA 105 4.095 -7.465 3.299 544 HB2 ALA 105 HB2 ALA 105 3.717 -8.528 4.656 545 HB3 ALA 105 HB3 ALA 105 5.321 -7.803 4.549 546 HA PRO 106 HA PRO 106 8.285 -8.593 0.502 547 HB2 PRO 106 HB3 PRO 106 7.085 -5.792 0.277 548 HB3 PRO 106 HB2 PRO 106 8.037 -6.677 -0.883 549 HG2 PRO 106 HG2 PRO 106 5.346 -6.692 -1.117 550 HG3 PRO 106 HG3 PRO 106 6.141 -8.299 -1.131 551 HD2 PRO 106 HD2 PRO 106 5.078 -6.806 1.313 552 HD3 PRO 106 HD3 PRO 106 4.579 -8.403 0.746 553 H ASN 107 H ASN 107 7.300 -6.828 3.126 554 HA ASN 107 HA ASN 107 9.021 -4.770 3.710 555 HB2 ASN 107 HB2 ASN 107 8.465 -4.947 5.982 556 HB3 ASN 107 HB3 ASN 107 7.073 -5.589 5.121 557 HD21 ASN 107 HD21 ASN 107 8.113 -8.389 4.703 558 HD22 ASN 107 HD22 ASN 107 8.172 -9.019 6.325 559 HA PRO 108 HA PRO 108 10.427 -3.875 5.800 560 HB2 PRO 108 HB2 PRO 108 12.943 -2.777 5.656 561 HB3 PRO 108 HB3 PRO 108 12.453 -3.943 6.893 562 HG2 PRO 108 HG2 PRO 108 13.890 -4.420 4.251 563 HG3 PRO 108 HG3 PRO 108 14.407 -4.967 5.880 564 HD2 PRO 108 HD2 PRO 108 13.040 -6.617 4.244 565 HD3 PRO 108 HD3 PRO 108 12.668 -6.571 5.983 566 HA PRO 109 HA PRO 109 9.985 -1.161 2.374 567 HB2 PRO 109 HB2 PRO 109 10.974 1.333 3.111 568 HB3 PRO 109 HB3 PRO 109 9.418 0.674 3.640 569 HG2 PRO 109 HG2 PRO 109 12.055 0.626 5.099 570 HG3 PRO 109 HG3 PRO 109 10.427 1.031 5.740 571 HD2 PRO 109 HD2 PRO 109 11.507 -1.391 6.135 572 HD3 PRO 109 HD3 PRO 109 9.782 -1.237 5.774 573 HA PRO 110 HA PRO 110 13.805 -1.848 0.244 574 HB2 PRO 110 HB2 PRO 110 13.220 -0.918 -2.255 575 HB3 PRO 110 HB3 PRO 110 12.448 -2.356 -1.526 576 HG2 PRO 110 HG2 PRO 110 11.343 0.488 -1.536 577 HG3 PRO 110 HG3 PRO 110 10.554 -0.996 -2.104 578 HD2 PRO 110 HD2 PRO 110 10.130 -0.111 0.414 579 HD3 PRO 110 HD3 PRO 110 10.367 -1.846 0.130 580 H ILE 111 H ILE 111 12.825 1.300 -1.187 581 HA ILE 111 HA ILE 111 15.273 2.621 -0.250 582 HB ILE 111 HB ILE 111 15.652 3.482 -2.509 583 HG12 ILE 111 HG12 ILE 111 13.474 1.602 -3.585 584 HG13 ILE 111 HG13 ILE 111 13.250 3.317 -3.328 585 HG21 ILE 111 HG21 ILE 111 16.819 1.411 -1.794 586 HG22 ILE 111 HG22 ILE 111 15.533 0.424 -2.505 587 HG23 ILE 111 HG23 ILE 111 16.554 1.384 -3.545 588 HD11 ILE 111 HD11 ILE 111 15.272 2.131 -5.237 589 HD12 ILE 111 HD12 ILE 111 13.736 2.912 -5.644 590 HD13 ILE 111 HD13 ILE 111 15.038 3.866 -4.911 591 H LEU 112 H LEU 112 14.964 4.938 -0.275 592 HA LEU 112 HA LEU 112 13.928 6.922 0.046 593 HB2 LEU 112 HB2 LEU 112 11.748 5.724 -1.679 594 HB3 LEU 112 HB3 LEU 112 11.581 7.277 -0.929 595 HG LEU 112 HG LEU 112 13.284 8.261 -2.228 596 HD11 LEU 112 HD11 LEU 112 14.999 6.516 -2.361 597 HD12 LEU 112 HD12 LEU 112 14.555 7.057 -3.977 598 HD13 LEU 112 HD13 LEU 112 13.927 5.515 -3.374 599 HD21 LEU 112 HD21 LEU 112 11.032 7.865 -3.296 600 HD22 LEU 112 HD22 LEU 112 11.684 6.410 -4.079 601 HD23 LEU 112 HD23 LEU 112 12.348 8.008 -4.471 602 H LYS 113 H LYS 113 12.764 7.838 1.717 603 HA LYS 113 HA LYS 113 11.953 7.727 3.893 604 HB2 LYS 113 HB2 LYS 113 9.574 6.857 2.207 605 HB3 LYS 113 HB3 LYS 113 9.465 7.561 3.812 606 HG2 LYS 113 HG2 LYS 113 10.627 8.959 1.362 607 HG3 LYS 113 HG3 LYS 113 9.002 9.179 1.969 608 HD2 LYS 113 HD2 LYS 113 11.523 9.837 3.568 609 HD3 LYS 113 HD3 LYS 113 10.641 11.000 2.605 610 HE2 LYS 113 HE2 LYS 113 9.424 9.459 4.933 611 HE3 LYS 113 HE3 LYS 113 10.114 11.079 5.046 612 HZ1 LYS 113 HZ1 LYS 113 7.745 10.323 3.432 613 HZ2 LYS 113 HZ2 LYS 113 8.450 11.795 3.384 614 HZ3 LYS 113 HZ3 LYS 113 7.792 11.268 4.783 615 H VAL 114 H VAL 114 13.475 5.666 3.875 616 HA VAL 114 HA VAL 114 12.481 3.086 4.288 617 HB VAL 114 HB VAL 114 14.891 4.149 5.778 618 HG11 VAL 114 HG11 VAL 114 15.897 2.011 5.064 619 HG12 VAL 114 HG12 VAL 114 14.376 1.754 5.936 620 HG13 VAL 114 HG13 VAL 114 14.415 1.621 4.153 621 HG21 VAL 114 HG21 VAL 114 15.200 5.280 3.669 622 HG22 VAL 114 HG22 VAL 114 16.307 3.924 3.759 623 HG23 VAL 114 HG23 VAL 114 14.853 3.790 2.757 624 H TRP 115 H TRP 115 12.344 5.860 6.334 625 HA TRP 115 HA TRP 115 10.835 4.601 8.423 626 HB2 TRP 115 HB2 TRP 115 12.301 5.523 10.170 627 HB3 TRP 115 HB3 TRP 115 13.138 4.265 9.262 628 HD1 TRP 115 HD1 TRP 115 15.317 4.975 7.960 629 HE1 TRP 115 HE1 TRP 115 16.728 7.112 7.856 630 HE3 TRP 115 HE3 TRP 115 12.173 8.120 10.454 631 HZ2 TRP 115 HZ2 TRP 115 16.304 9.964 8.411 632 HZ3 TRP 115 HZ3 TRP 115 12.682 10.538 10.646 633 HH2 TRP 115 HH2 TRP 115 14.732 11.471 9.570
Contact the webmaster for help, if required. Saturday, May 18, 2024 12:56:51 AM GMT (wattos1)