NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
640839 | 5zcz | 27354 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 10.089 -2.456 10.674 2 HA MET 1 HA MET 1 9.474 -2.723 8.340 3 HB2 MET 1 HB2 MET 1 9.406 -4.649 10.013 4 HB3 MET 1 HB3 MET 1 7.643 -4.463 10.020 5 HG2 MET 1 HG2 MET 1 7.608 -4.830 7.583 6 HG3 MET 1 HG3 MET 1 9.372 -4.934 7.550 7 HE1 MET 1 HE1 MET 1 10.765 -6.679 8.343 8 HE2 MET 1 HE2 MET 1 10.272 -8.398 8.334 9 HE3 MET 1 HE3 MET 1 10.116 -7.407 6.865 10 H LEU 2 H LEU 2 7.343 -3.326 6.964 11 HA LEU 2 HA LEU 2 5.399 -1.155 7.589 12 HB2 LEU 2 HB2 LEU 2 6.373 -2.159 4.893 13 HB3 LEU 2 HB3 LEU 2 5.181 -0.868 5.148 14 HG LEU 2 HG LEU 2 8.046 -0.806 6.197 15 HD11 LEU 2 HD11 LEU 2 6.817 0.643 3.824 16 HD12 LEU 2 HD12 LEU 2 8.493 0.782 4.396 17 HD13 LEU 2 HD13 LEU 2 7.919 -0.753 3.710 18 HD21 LEU 2 HD21 LEU 2 5.892 1.341 5.998 19 HD22 LEU 2 HD22 LEU 2 6.459 0.574 7.502 20 HD23 LEU 2 HD23 LEU 2 7.561 1.596 6.555 21 H LYS 3 H LYS 3 3.221 -1.467 7.050 22 HA LYS 3 HA LYS 3 2.186 -4.003 6.085 23 HB2 LYS 3 HB2 LYS 3 2.773 -3.673 8.903 24 HB3 LYS 3 HB3 LYS 3 1.010 -3.677 8.680 25 HG2 LYS 3 HG2 LYS 3 1.109 -5.790 7.472 26 HG3 LYS 3 HG3 LYS 3 2.888 -5.765 7.516 27 HD2 LYS 3 HD2 LYS 3 2.801 -5.809 10.007 28 HD3 LYS 3 HD3 LYS 3 1.028 -5.945 9.924 29 HE2 LYS 3 HE2 LYS 3 1.237 -8.031 8.644 30 HE3 LYS 3 HE3 LYS 3 3.008 -7.897 8.659 31 HZ1 LYS 3 HZ1 LYS 3 1.407 -8.016 11.111 32 HZ2 LYS 3 HZ2 LYS 3 2.010 -9.369 10.368 33 HZ3 LYS 3 HZ3 LYS 3 3.026 -8.210 10.952 34 H LEU 4 H LEU 4 1.232 -2.397 4.587 35 HA LEU 4 HA LEU 4 0.171 0.042 5.794 36 HB2 LEU 4 HB2 LEU 4 0.710 -1.028 3.040 37 HB3 LEU 4 HB3 LEU 4 -0.525 0.232 3.212 38 HG LEU 4 HG LEU 4 1.090 1.654 4.457 39 HD11 LEU 4 HD11 LEU 4 3.072 -0.521 3.665 40 HD12 LEU 4 HD12 LEU 4 3.491 1.052 4.384 41 HD13 LEU 4 HD13 LEU 4 2.560 -0.134 5.323 42 HD21 LEU 4 HD21 LEU 4 0.778 1.886 2.009 43 HD22 LEU 4 HD22 LEU 4 2.453 2.247 2.485 44 HD23 LEU 4 HD23 LEU 4 2.059 0.682 1.736 45 H LYS 5 H LYS 5 -1.682 -0.034 6.829 46 HA LYS 5 HA LYS 5 -3.971 -1.631 5.964 47 HB2 LYS 5 HB2 LYS 5 -3.523 -1.091 8.363 48 HB3 LYS 5 HB3 LYS 5 -3.637 0.635 7.973 49 HG2 LYS 5 HG2 LYS 5 -6.003 0.103 7.080 50 HG3 LYS 5 HG3 LYS 5 -5.856 -1.441 7.952 51 HD2 LYS 5 HD2 LYS 5 -5.494 -0.244 10.059 52 HD3 LYS 5 HD3 LYS 5 -5.372 1.303 9.192 53 HE2 LYS 5 HE2 LYS 5 -7.746 0.987 8.398 54 HE3 LYS 5 HE3 LYS 5 -7.835 -0.445 9.444 55 HZ1 LYS 5 HZ1 LYS 5 -6.988 1.283 11.177 56 HZ2 LYS 5 HZ2 LYS 5 -7.686 2.353 10.166 57 HZ3 LYS 5 HZ3 LYS 5 -8.609 1.155 10.821 58 H VAL 6 H VAL 6 -4.266 -0.841 3.753 59 HA VAL 6 HA VAL 6 -4.386 1.929 3.129 60 HB VAL 6 HB VAL 6 -5.743 -0.399 1.710 61 HG11 VAL 6 HG11 VAL 6 -4.779 2.338 0.758 62 HG12 VAL 6 HG12 VAL 6 -5.485 1.071 -0.272 63 HG13 VAL 6 HG13 VAL 6 -6.478 1.857 0.975 64 HG21 VAL 6 HG21 VAL 6 -3.335 -0.829 2.061 65 HG22 VAL 6 HG22 VAL 6 -3.665 -0.459 0.355 66 HG23 VAL 6 HG23 VAL 6 -2.946 0.781 1.408 67 H GLU 7 H GLU 7 -5.749 3.324 4.049 68 HA GLU 7 HA GLU 7 -8.252 2.538 5.226 69 HB2 GLU 7 HB2 GLU 7 -6.769 4.413 6.002 70 HB3 GLU 7 HB3 GLU 7 -7.182 5.305 4.526 71 HG2 GLU 7 HG2 GLU 7 -8.577 6.040 6.412 72 HG3 GLU 7 HG3 GLU 7 -9.577 5.254 5.179 73 H GLY 8 H GLY 8 -10.370 3.043 4.540 74 HA2 GLY 8 HA2 GLY 8 -10.686 3.333 1.618 75 HA3 GLY 8 HA3 GLY 8 -11.938 2.876 2.796 76 H MET 9 H MET 9 -9.741 5.641 2.041 77 HA MET 9 HA MET 9 -11.314 7.565 3.439 78 HB2 MET 9 HB2 MET 9 -9.268 7.859 1.202 79 HB3 MET 9 HB3 MET 9 -9.885 9.192 2.202 80 HG2 MET 9 HG2 MET 9 -9.019 8.109 4.227 81 HG3 MET 9 HG3 MET 9 -8.476 6.723 3.273 82 HE1 MET 9 HE1 MET 9 -6.623 10.961 3.139 83 HE2 MET 9 HE2 MET 9 -8.232 10.608 2.471 84 HE3 MET 9 HE3 MET 9 -7.941 10.449 4.220 85 H THR 10 H THR 10 -11.293 6.467 0.020 86 HA THR 10 HA THR 10 -13.828 7.952 -0.347 87 HB THR 10 HB THR 10 -13.049 8.660 -2.616 88 HG1 THR 10 HG1 THR 10 -11.350 7.374 -3.048 89 HG21 THR 10 HG21 THR 10 -12.979 10.211 -0.682 90 HG22 THR 10 HG22 THR 10 -11.330 9.656 -0.305 91 HG23 THR 10 HG23 THR 10 -11.652 10.519 -1.825 92 H CYS 11 H CYS 11 -14.995 7.191 -2.327 93 HA CYS 11 HA CYS 11 -16.020 5.469 -3.399 94 HB2 CYS 11 HB2 CYS 11 -13.129 4.708 -3.947 95 HB3 CYS 11 HB3 CYS 11 -14.543 4.108 -4.843 96 HG CYS 11 HG CYS 11 -14.803 7.206 -4.463 97 H ASN 12 H ASN 12 -15.667 5.061 -0.553 98 HA ASN 12 HA ASN 12 -14.696 2.437 -0.008 99 HB2 ASN 12 HB2 ASN 12 -15.823 2.720 2.131 100 HB3 ASN 12 HB3 ASN 12 -15.013 4.232 1.683 101 HD21 ASN 12 HD21 ASN 12 -18.935 4.270 2.530 102 HD22 ASN 12 HD22 ASN 12 -17.814 3.001 2.973 103 H HIS 13 H HIS 13 -17.487 3.468 -1.719 104 HA HIS 13 HA HIS 13 -19.141 1.162 -0.977 105 HB2 HIS 13 HB2 HIS 13 -19.377 3.255 -3.174 106 HB3 HIS 13 HB3 HIS 13 -20.589 2.018 -2.816 107 HD1 HIS 13 HD1 HIS 13 -22.203 2.490 -0.785 108 HD2 HIS 13 HD2 HIS 13 -19.062 5.249 -1.297 109 HE1 HIS 13 HE1 HIS 13 -22.701 4.470 0.759 110 H CYS 14 H CYS 14 -16.409 1.715 -2.887 111 HA CYS 14 HA CYS 14 -16.972 -0.679 -4.550 112 HB2 CYS 14 HB2 CYS 14 -15.583 1.892 -5.409 113 HB3 CYS 14 HB3 CYS 14 -15.749 0.422 -6.398 114 HG CYS 14 HG CYS 14 -17.419 2.289 -7.191 115 H VAL 15 H VAL 15 -14.501 -0.952 -5.722 116 HA VAL 15 HA VAL 15 -12.516 -0.808 -3.544 117 HB VAL 15 HB VAL 15 -13.627 -3.011 -3.365 118 HG11 VAL 15 HG11 VAL 15 -12.578 -3.454 -6.193 119 HG12 VAL 15 HG12 VAL 15 -13.373 -4.669 -5.165 120 HG13 VAL 15 HG13 VAL 15 -14.289 -3.259 -5.743 121 HG21 VAL 15 HG21 VAL 15 -10.824 -3.290 -4.510 122 HG22 VAL 15 HG22 VAL 15 -11.178 -2.691 -2.866 123 HG23 VAL 15 HG23 VAL 15 -11.624 -4.347 -3.333 124 H MET 16 H MET 16 -10.328 -0.952 -4.329 125 HA MET 16 HA MET 16 -9.970 -0.785 -7.266 126 HB2 MET 16 HB2 MET 16 -9.070 1.260 -5.206 127 HB3 MET 16 HB3 MET 16 -8.439 1.196 -6.859 128 HG2 MET 16 HG2 MET 16 -11.408 1.255 -6.612 129 HG3 MET 16 HG3 MET 16 -10.559 2.697 -6.055 130 HE1 MET 16 HE1 MET 16 -11.531 4.498 -8.410 131 HE2 MET 16 HE2 MET 16 -12.272 3.300 -9.480 132 HE3 MET 16 HE3 MET 16 -12.502 3.163 -7.721 133 H ALA 17 H ALA 17 -7.641 -1.020 -7.843 134 HA ALA 17 HA ALA 17 -6.353 -2.943 -6.011 135 HB1 ALA 17 HB1 ALA 17 -6.570 -3.484 -8.418 136 HB2 ALA 17 HB2 ALA 17 -5.650 -2.016 -8.829 137 HB3 ALA 17 HB3 ALA 17 -4.864 -3.340 -7.935 138 H VAL 18 H VAL 18 -4.712 -2.353 -4.679 139 HA VAL 18 HA VAL 18 -3.616 0.378 -4.949 140 HB VAL 18 HB VAL 18 -3.261 -1.690 -2.767 141 HG11 VAL 18 HG11 VAL 18 -1.824 0.611 -3.094 142 HG12 VAL 18 HG12 VAL 18 -3.183 1.220 -2.157 143 HG13 VAL 18 HG13 VAL 18 -2.204 -0.108 -1.500 144 HG21 VAL 18 HG21 VAL 18 -5.694 -0.967 -3.242 145 HG22 VAL 18 HG22 VAL 18 -5.093 -0.772 -1.571 146 HG23 VAL 18 HG23 VAL 18 -5.204 0.627 -2.664 147 H THR 19 H THR 19 -2.854 -2.892 -5.709 148 HA THR 19 HA THR 19 -0.202 -3.165 -5.111 149 HB THR 19 HB THR 19 -1.553 -4.090 -7.669 150 HG1 THR 19 HG1 THR 19 -2.042 -5.915 -6.267 151 HG21 THR 19 HG21 THR 19 0.630 -5.369 -5.971 152 HG22 THR 19 HG22 THR 19 -0.032 -5.991 -7.494 153 HG23 THR 19 HG23 THR 19 0.918 -4.489 -7.495 154 H LYS 20 H LYS 20 -1.532 -1.432 -7.987 155 HA LYS 20 HA LYS 20 1.018 -1.131 -9.249 156 HB2 LYS 20 HB2 LYS 20 -1.565 0.459 -9.493 157 HB3 LYS 20 HB3 LYS 20 -0.166 0.633 -10.571 158 HG2 LYS 20 HG2 LYS 20 -0.348 -1.723 -11.240 159 HG3 LYS 20 HG3 LYS 20 -1.719 -1.953 -10.127 160 HD2 LYS 20 HD2 LYS 20 -3.034 -0.286 -11.363 161 HD3 LYS 20 HD3 LYS 20 -1.658 0.025 -12.447 162 HE2 LYS 20 HE2 LYS 20 -1.720 -2.293 -13.243 163 HE3 LYS 20 HE3 LYS 20 -3.034 -2.673 -12.111 164 HZ1 LYS 20 HZ1 LYS 20 -3.811 -2.221 -14.343 165 HZ2 LYS 20 HZ2 LYS 20 -4.424 -1.144 -13.258 166 HZ3 LYS 20 HZ3 LYS 20 -3.205 -0.689 -14.272 167 H ALA 21 H ALA 21 -0.494 0.588 -6.569 168 HA ALA 21 HA ALA 21 1.007 3.036 -6.952 169 HB1 ALA 21 HB1 ALA 21 -0.380 1.907 -4.494 170 HB2 ALA 21 HB2 ALA 21 0.158 3.585 -4.727 171 HB3 ALA 21 HB3 ALA 21 -1.143 2.921 -5.740 172 H LEU 22 H LEU 22 1.487 -0.005 -5.110 173 HA LEU 22 HA LEU 22 3.595 1.060 -3.500 174 HB2 LEU 22 HB2 LEU 22 2.657 -1.744 -4.188 175 HB3 LEU 22 HB3 LEU 22 4.064 -1.448 -3.162 176 HG LEU 22 HG LEU 22 2.197 -1.826 -1.736 177 HD11 LEU 22 HD11 LEU 22 3.826 0.018 -1.147 178 HD12 LEU 22 HD12 LEU 22 2.621 1.178 -1.747 179 HD13 LEU 22 HD13 LEU 22 2.230 0.137 -0.364 180 HD21 LEU 22 HD21 LEU 22 0.768 0.465 -3.136 181 HD22 LEU 22 HD22 LEU 22 0.389 -1.268 -3.320 182 HD23 LEU 22 HD23 LEU 22 0.171 -0.468 -1.749 183 H LYS 23 H LYS 23 3.602 -0.778 -6.589 184 HA LYS 23 HA LYS 23 6.348 -1.422 -6.477 185 HB2 LYS 23 HB2 LYS 23 4.540 -2.446 -7.921 186 HB3 LYS 23 HB3 LYS 23 4.721 -1.051 -9.011 187 HG2 LYS 23 HG2 LYS 23 7.115 -1.593 -9.306 188 HG3 LYS 23 HG3 LYS 23 6.969 -2.928 -8.141 189 HD2 LYS 23 HD2 LYS 23 5.331 -4.041 -9.626 190 HD3 LYS 23 HD3 LYS 23 5.491 -2.711 -10.799 191 HE2 LYS 23 HE2 LYS 23 7.886 -3.208 -11.058 192 HE3 LYS 23 HE3 LYS 23 7.771 -4.490 -9.836 193 HZ1 LYS 23 HZ1 LYS 23 6.333 -4.450 -12.396 194 HZ2 LYS 23 HZ2 LYS 23 7.675 -5.349 -12.062 195 HZ3 LYS 23 HZ3 LYS 23 6.264 -5.649 -11.264 196 H LYS 24 H LYS 24 4.814 1.624 -7.325 197 HA LYS 24 HA LYS 24 6.819 2.538 -9.119 198 HB2 LYS 24 HB2 LYS 24 4.984 4.108 -7.269 199 HB3 LYS 24 HB3 LYS 24 5.883 4.777 -8.652 200 HG2 LYS 24 HG2 LYS 24 4.692 3.234 -10.180 201 HG3 LYS 24 HG3 LYS 24 3.803 2.554 -8.798 202 HD2 LYS 24 HD2 LYS 24 2.880 4.817 -8.310 203 HD3 LYS 24 HD3 LYS 24 3.699 5.441 -9.762 204 HE2 LYS 24 HE2 LYS 24 2.437 3.843 -11.164 205 HE3 LYS 24 HE3 LYS 24 1.645 3.190 -9.715 206 HZ1 LYS 24 HZ1 LYS 24 1.411 5.942 -10.716 207 HZ2 LYS 24 HZ2 LYS 24 0.255 4.772 -10.803 208 HZ3 LYS 24 HZ3 LYS 24 0.714 5.368 -9.336 209 H VAL 25 H VAL 25 6.922 2.136 -5.642 210 HA VAL 25 HA VAL 25 8.953 4.191 -5.261 211 HB VAL 25 HB VAL 25 7.841 1.956 -3.544 212 HG11 VAL 25 HG11 VAL 25 9.083 2.981 -1.665 213 HG12 VAL 25 HG12 VAL 25 10.187 2.334 -2.901 214 HG13 VAL 25 HG13 VAL 25 9.889 4.086 -2.804 215 HG21 VAL 25 HG21 VAL 25 7.675 4.968 -3.190 216 HG22 VAL 25 HG22 VAL 25 6.457 4.035 -4.113 217 HG23 VAL 25 HG23 VAL 25 6.724 3.723 -2.381 218 HA PRO 26 HA PRO 26 12.334 1.801 -6.843 219 HB2 PRO 26 HB2 PRO 26 13.790 3.446 -4.773 220 HB3 PRO 26 HB3 PRO 26 14.255 3.131 -6.478 221 HG2 PRO 26 HG2 PRO 26 13.133 5.498 -5.805 222 HG3 PRO 26 HG3 PRO 26 12.571 4.635 -7.280 223 HD2 PRO 26 HD2 PRO 26 11.280 4.721 -4.547 224 HD3 PRO 26 HD3 PRO 26 10.520 4.860 -6.166 225 H GLY 27 H GLY 27 13.359 -0.096 -6.226 226 HA2 GLY 27 HA2 GLY 27 14.445 -1.552 -4.746 227 HA3 GLY 27 HA3 GLY 27 13.801 -0.643 -3.366 228 H VAL 28 H VAL 28 11.032 -0.722 -4.795 229 HA VAL 28 HA VAL 28 10.170 -3.220 -3.550 230 HB VAL 28 HB VAL 28 8.736 -1.074 -5.168 231 HG11 VAL 28 HG11 VAL 28 7.597 -3.232 -5.453 232 HG12 VAL 28 HG12 VAL 28 7.616 -3.489 -3.691 233 HG13 VAL 28 HG13 VAL 28 6.652 -2.167 -4.388 234 HG21 VAL 28 HG21 VAL 28 8.730 -1.772 -2.198 235 HG22 VAL 28 HG22 VAL 28 9.529 -0.362 -2.936 236 HG23 VAL 28 HG23 VAL 28 7.757 -0.496 -2.967 237 H GLU 29 H GLU 29 10.027 -5.163 -4.565 238 HA GLU 29 HA GLU 29 9.944 -5.118 -7.531 239 HB2 GLU 29 HB2 GLU 29 11.857 -6.207 -7.697 240 HB3 GLU 29 HB3 GLU 29 12.111 -5.947 -5.963 241 HG2 GLU 29 HG2 GLU 29 10.982 -8.076 -5.469 242 HG3 GLU 29 HG3 GLU 29 10.659 -8.324 -7.201 243 H LYS 30 H LYS 30 8.798 -6.485 -4.508 244 HA LYS 30 HA LYS 30 6.787 -8.015 -6.093 245 HB2 LYS 30 HB2 LYS 30 8.186 -8.792 -3.506 246 HB3 LYS 30 HB3 LYS 30 6.745 -9.613 -4.139 247 HG2 LYS 30 HG2 LYS 30 7.941 -10.259 -6.166 248 HG3 LYS 30 HG3 LYS 30 9.372 -9.338 -5.653 249 HD2 LYS 30 HD2 LYS 30 9.589 -10.787 -3.654 250 HD3 LYS 30 HD3 LYS 30 8.177 -11.726 -4.188 251 HE2 LYS 30 HE2 LYS 30 9.366 -12.318 -6.280 252 HE3 LYS 30 HE3 LYS 30 10.776 -11.381 -5.741 253 HZ1 LYS 30 HZ1 LYS 30 9.652 -13.732 -4.380 254 HZ2 LYS 30 HZ2 LYS 30 11.039 -13.700 -5.272 255 HZ3 LYS 30 HZ3 LYS 30 10.945 -12.857 -3.861 256 H VAL 31 H VAL 31 4.663 -7.929 -5.263 257 HA VAL 31 HA VAL 31 4.173 -6.274 -2.871 258 HB VAL 31 HB VAL 31 3.053 -5.669 -5.643 259 HG11 VAL 31 HG11 VAL 31 1.427 -5.307 -3.785 260 HG12 VAL 31 HG12 VAL 31 2.612 -4.251 -2.987 261 HG13 VAL 31 HG13 VAL 31 1.924 -3.784 -4.559 262 HG21 VAL 31 HG21 VAL 31 4.217 -3.490 -5.370 263 HG22 VAL 31 HG22 VAL 31 4.939 -4.078 -3.855 264 HG23 VAL 31 HG23 VAL 31 5.359 -4.849 -5.403 265 H GLU 32 H GLU 32 2.155 -6.771 -1.900 266 HA GLU 32 HA GLU 32 0.318 -8.535 -3.349 267 HB2 GLU 32 HB2 GLU 32 1.993 -10.062 -2.253 268 HB3 GLU 32 HB3 GLU 32 1.526 -9.359 -0.690 269 HG2 GLU 32 HG2 GLU 32 -0.038 -10.987 -0.629 270 HG3 GLU 32 HG3 GLU 32 -0.942 -9.979 -1.770 271 H VAL 33 H VAL 33 -1.774 -8.033 -2.832 272 HA VAL 33 HA VAL 33 -2.194 -6.462 -0.338 273 HB VAL 33 HB VAL 33 -3.843 -5.107 -1.571 274 HG11 VAL 33 HG11 VAL 33 -1.094 -5.150 -2.885 275 HG12 VAL 33 HG12 VAL 33 -2.249 -3.799 -2.927 276 HG13 VAL 33 HG13 VAL 33 -1.527 -4.296 -1.382 277 HG21 VAL 33 HG21 VAL 33 -2.817 -6.609 -4.016 278 HG22 VAL 33 HG22 VAL 33 -4.441 -6.756 -3.304 279 HG23 VAL 33 HG23 VAL 33 -3.930 -5.221 -4.037 280 H SER 34 H SER 34 -4.332 -6.607 0.558 281 HA SER 34 HA SER 34 -5.932 -8.908 -0.435 282 HB2 SER 34 HB2 SER 34 -4.643 -9.629 1.536 283 HB3 SER 34 HB3 SER 34 -5.281 -8.251 2.465 284 HG SER 34 HG SER 34 -6.451 -10.250 2.744 285 H LEU 35 H LEU 35 -7.576 -7.794 -1.364 286 HA LEU 35 HA LEU 35 -8.432 -5.225 -0.500 287 HB2 LEU 35 HB2 LEU 35 -9.892 -7.317 -2.157 288 HB3 LEU 35 HB3 LEU 35 -10.275 -5.586 -2.092 289 HG LEU 35 HG LEU 35 -7.618 -6.752 -3.064 290 HD11 LEU 35 HD11 LEU 35 -9.136 -7.285 -4.772 291 HD12 LEU 35 HD12 LEU 35 -10.153 -5.842 -4.459 292 HD13 LEU 35 HD13 LEU 35 -8.568 -5.687 -5.253 293 HD21 LEU 35 HD21 LEU 35 -7.248 -4.426 -3.857 294 HD22 LEU 35 HD22 LEU 35 -8.775 -3.930 -3.092 295 HD23 LEU 35 HD23 LEU 35 -7.413 -4.489 -2.091 296 H GLU 36 H GLU 36 -9.262 -8.456 0.610 297 HA GLU 36 HA GLU 36 -11.787 -7.573 1.795 298 HB2 GLU 36 HB2 GLU 36 -10.207 -10.169 1.970 299 HB3 GLU 36 HB3 GLU 36 -11.802 -9.896 2.710 300 HG2 GLU 36 HG2 GLU 36 -12.739 -9.348 0.478 301 HG3 GLU 36 HG3 GLU 36 -11.159 -9.677 -0.260 302 H LYS 37 H LYS 37 -8.397 -7.967 2.780 303 HA LYS 37 HA LYS 37 -9.206 -7.641 5.607 304 HB2 LYS 37 HB2 LYS 37 -6.543 -8.338 4.322 305 HB3 LYS 37 HB3 LYS 37 -6.814 -8.150 6.070 306 HG2 LYS 37 HG2 LYS 37 -8.573 -9.898 5.985 307 HG3 LYS 37 HG3 LYS 37 -8.260 -10.126 4.251 308 HD2 LYS 37 HD2 LYS 37 -5.942 -10.808 4.745 309 HD3 LYS 37 HD3 LYS 37 -6.220 -10.528 6.482 310 HE2 LYS 37 HE2 LYS 37 -8.009 -12.230 6.479 311 HE3 LYS 37 HE3 LYS 37 -7.758 -12.505 4.745 312 HZ1 LYS 37 HZ1 LYS 37 -6.635 -14.130 6.078 313 HZ2 LYS 37 HZ2 LYS 37 -5.543 -13.232 5.236 314 HZ3 LYS 37 HZ3 LYS 37 -5.762 -12.969 6.853 315 H GLY 38 H GLY 38 -8.274 -5.688 2.967 316 HA2 GLY 38 HA2 GLY 38 -7.962 -3.409 2.919 317 HA3 GLY 38 HA3 GLY 38 -8.229 -3.371 4.668 318 H GLU 39 H GLU 39 -5.712 -5.492 3.380 319 HA GLU 39 HA GLU 39 -3.706 -3.587 4.510 320 HB2 GLU 39 HB2 GLU 39 -3.699 -6.627 4.440 321 HB3 GLU 39 HB3 GLU 39 -2.379 -5.598 5.039 322 HG2 GLU 39 HG2 GLU 39 -4.003 -4.564 6.660 323 HG3 GLU 39 HG3 GLU 39 -5.216 -5.748 6.138 324 H ALA 40 H ALA 40 -1.599 -3.614 3.596 325 HA ALA 40 HA ALA 40 -1.345 -4.641 0.838 326 HB1 ALA 40 HB1 ALA 40 -2.219 -2.356 0.618 327 HB2 ALA 40 HB2 ALA 40 -0.946 -1.747 1.700 328 HB3 ALA 40 HB3 ALA 40 -0.517 -2.413 0.108 329 H LEU 41 H LEU 41 0.389 -5.900 0.980 330 HA LEU 41 HA LEU 41 2.646 -5.075 2.737 331 HB2 LEU 41 HB2 LEU 41 1.913 -7.802 1.584 332 HB3 LEU 41 HB3 LEU 41 3.290 -7.449 2.625 333 HG LEU 41 HG LEU 41 1.679 -8.449 4.021 334 HD11 LEU 41 HD11 LEU 41 1.575 -5.424 4.341 335 HD12 LEU 41 HD12 LEU 41 0.911 -6.571 5.537 336 HD13 LEU 41 HD13 LEU 41 2.649 -6.570 5.157 337 HD21 LEU 41 HD21 LEU 41 -0.643 -7.829 4.165 338 HD22 LEU 41 HD22 LEU 41 -0.419 -6.483 3.037 339 HD23 LEU 41 HD23 LEU 41 -0.249 -8.161 2.464 340 H VAL 42 H VAL 42 4.770 -5.212 1.930 341 HA VAL 42 HA VAL 42 5.076 -5.716 -0.972 342 HB VAL 42 HB VAL 42 6.564 -3.787 -1.162 343 HG11 VAL 42 HG11 VAL 42 4.901 -2.108 -1.292 344 HG12 VAL 42 HG12 VAL 42 4.040 -3.633 -1.528 345 HG13 VAL 42 HG13 VAL 42 3.954 -2.817 0.051 346 HG21 VAL 42 HG21 VAL 42 5.701 -3.114 1.683 347 HG22 VAL 42 HG22 VAL 42 7.317 -3.680 1.199 348 HG23 VAL 42 HG23 VAL 42 6.721 -2.110 0.624 349 H GLU 43 H GLU 43 7.411 -6.122 -1.522 350 HA GLU 43 HA GLU 43 9.061 -6.831 0.820 351 HB2 GLU 43 HB2 GLU 43 7.842 -8.886 0.091 352 HB3 GLU 43 HB3 GLU 43 8.609 -8.737 -1.506 353 HG2 GLU 43 HG2 GLU 43 10.839 -8.872 -0.452 354 HG3 GLU 43 HG3 GLU 43 10.086 -8.947 1.153 355 H GLY 44 H GLY 44 10.311 -5.023 0.393 356 HA2 GLY 44 HA2 GLY 44 12.152 -5.256 -1.877 357 HA3 GLY 44 HA3 GLY 44 11.113 -3.815 -1.859 358 H THR 45 H THR 45 13.495 -2.967 -1.761 359 HA THR 45 HA THR 45 14.363 -2.781 1.079 360 HB THR 45 HB THR 45 16.573 -2.240 0.104 361 HG1 THR 45 HG1 THR 45 16.822 -2.622 -2.144 362 HG21 THR 45 HG21 THR 45 15.597 -4.645 0.561 363 HG22 THR 45 HG22 THR 45 15.634 -4.793 -1.197 364 HG23 THR 45 HG23 THR 45 17.149 -4.472 -0.320 365 H ALA 46 H ALA 46 12.205 -1.164 -0.225 366 HA ALA 46 HA ALA 46 13.325 1.435 -0.817 367 HB1 ALA 46 HB1 ALA 46 10.967 2.141 -0.776 368 HB2 ALA 46 HB2 ALA 46 11.151 0.632 -1.705 369 HB3 ALA 46 HB3 ALA 46 10.500 0.586 -0.050 370 H ASP 47 H ASP 47 12.531 3.414 0.508 371 HA ASP 47 HA ASP 47 13.308 2.999 3.292 372 HB2 ASP 47 HB2 ASP 47 12.356 5.442 1.745 373 HB3 ASP 47 HB3 ASP 47 12.898 5.471 3.434 374 HA PRO 48 HA PRO 48 9.361 2.469 5.093 375 HB2 PRO 48 HB2 PRO 48 10.157 4.655 7.006 376 HB3 PRO 48 HB3 PRO 48 9.507 3.024 7.378 377 HG2 PRO 48 HG2 PRO 48 12.151 3.529 7.662 378 HG3 PRO 48 HG3 PRO 48 11.610 2.001 6.883 379 HD2 PRO 48 HD2 PRO 48 12.589 4.539 5.560 380 HD3 PRO 48 HD3 PRO 48 12.990 2.834 5.176 381 H LYS 49 H LYS 49 10.374 5.931 4.917 382 HA LYS 49 HA LYS 49 7.661 6.923 4.996 383 HB2 LYS 49 HB2 LYS 49 8.948 9.030 4.073 384 HB3 LYS 49 HB3 LYS 49 9.246 8.478 5.733 385 HG2 LYS 49 HG2 LYS 49 11.281 7.323 5.075 386 HG3 LYS 49 HG3 LYS 49 10.957 7.666 3.359 387 HD2 LYS 49 HD2 LYS 49 11.054 10.115 3.877 388 HD3 LYS 49 HD3 LYS 49 11.552 9.707 5.537 389 HE2 LYS 49 HE2 LYS 49 13.516 8.494 4.646 390 HE3 LYS 49 HE3 LYS 49 12.996 8.860 2.989 391 HZ1 LYS 49 HZ1 LYS 49 13.755 10.832 5.026 392 HZ2 LYS 49 HZ2 LYS 49 14.660 10.380 3.724 393 HZ3 LYS 49 HZ3 LYS 49 13.236 11.183 3.498 394 H ALA 50 H ALA 50 9.905 5.927 2.420 395 HA ALA 50 HA ALA 50 8.650 7.396 0.328 396 HB1 ALA 50 HB1 ALA 50 10.922 6.448 0.176 397 HB2 ALA 50 HB2 ALA 50 10.246 4.802 0.240 398 HB3 ALA 50 HB3 ALA 50 9.894 5.858 -1.149 399 H LEU 51 H LEU 51 8.011 4.197 1.779 400 HA LEU 51 HA LEU 51 6.258 3.356 -0.329 401 HB2 LEU 51 HB2 LEU 51 7.516 1.978 1.521 402 HB3 LEU 51 HB3 LEU 51 6.101 2.372 2.524 403 HG LEU 51 HG LEU 51 4.715 1.530 0.468 404 HD11 LEU 51 HD11 LEU 51 5.917 -0.154 -0.903 405 HD12 LEU 51 HD12 LEU 51 6.678 1.443 -1.080 406 HD13 LEU 51 HD13 LEU 51 7.426 0.213 -0.039 407 HD21 LEU 51 HD21 LEU 51 4.963 0.362 2.679 408 HD22 LEU 51 HD22 LEU 51 4.769 -0.751 1.300 409 HD23 LEU 51 HD23 LEU 51 6.374 -0.490 2.021 410 H VAL 52 H VAL 52 5.676 4.617 3.006 411 HA VAL 52 HA VAL 52 2.837 4.559 2.753 412 HB VAL 52 HB VAL 52 4.603 6.195 4.617 413 HG11 VAL 52 HG11 VAL 52 2.238 6.915 4.622 414 HG12 VAL 52 HG12 VAL 52 1.718 5.228 4.850 415 HG13 VAL 52 HG13 VAL 52 2.634 6.059 6.128 416 HG21 VAL 52 HG21 VAL 52 4.308 4.292 6.171 417 HG22 VAL 52 HG22 VAL 52 3.426 3.398 4.911 418 HG23 VAL 52 HG23 VAL 52 5.149 3.784 4.691 419 H GLN 53 H GLN 53 5.265 6.904 1.702 420 HA GLN 53 HA GLN 53 3.333 9.085 1.540 421 HB2 GLN 53 HB2 GLN 53 5.745 9.485 1.904 422 HB3 GLN 53 HB3 GLN 53 6.112 8.730 0.336 423 HG2 GLN 53 HG2 GLN 53 4.786 10.464 -0.818 424 HG3 GLN 53 HG3 GLN 53 4.364 11.192 0.744 425 HE21 GLN 53 HE21 GLN 53 8.235 11.571 -0.734 426 HE22 GLN 53 HE22 GLN 53 7.246 10.200 -1.197 427 H ALA 54 H ALA 54 4.667 6.556 -0.575 428 HA ALA 54 HA ALA 54 3.791 7.612 -3.045 429 HB1 ALA 54 HB1 ALA 54 4.054 5.281 -3.836 430 HB2 ALA 54 HB2 ALA 54 5.427 5.814 -2.838 431 HB3 ALA 54 HB3 ALA 54 4.191 4.741 -2.143 432 H VAL 55 H VAL 55 2.090 5.422 -0.692 433 HA VAL 55 HA VAL 55 -0.180 5.154 -2.478 434 HB VAL 55 HB VAL 55 -1.306 4.214 -0.464 435 HG11 VAL 55 HG11 VAL 55 0.148 2.269 -0.190 436 HG12 VAL 55 HG12 VAL 55 0.143 2.791 -1.888 437 HG13 VAL 55 HG13 VAL 55 1.530 3.178 -0.838 438 HG21 VAL 55 HG21 VAL 55 -0.257 5.676 1.242 439 HG22 VAL 55 HG22 VAL 55 -0.044 3.957 1.633 440 HG23 VAL 55 HG23 VAL 55 1.311 4.883 0.950 441 H GLU 56 H GLU 56 0.865 7.500 -0.047 442 HA GLU 56 HA GLU 56 -1.740 8.695 0.290 443 HB2 GLU 56 HB2 GLU 56 0.093 8.893 1.943 444 HB3 GLU 56 HB3 GLU 56 1.060 9.804 0.764 445 HG2 GLU 56 HG2 GLU 56 -0.679 11.555 0.680 446 HG3 GLU 56 HG3 GLU 56 -1.671 10.637 1.829 447 H GLU 57 H GLU 57 0.781 8.812 -2.119 448 HA GLU 57 HA GLU 57 0.139 11.361 -3.265 449 HB2 GLU 57 HB2 GLU 57 2.261 10.075 -3.612 450 HB3 GLU 57 HB3 GLU 57 1.343 8.874 -4.542 451 HG2 GLU 57 HG2 GLU 57 0.686 10.631 -6.160 452 HG3 GLU 57 HG3 GLU 57 1.634 11.819 -5.237 453 H GLU 58 H GLU 58 -1.299 8.163 -3.362 454 HA GLU 58 HA GLU 58 -2.968 8.813 -5.705 455 HB2 GLU 58 HB2 GLU 58 -2.822 6.393 -3.865 456 HB3 GLU 58 HB3 GLU 58 -3.897 6.530 -5.273 457 HG2 GLU 58 HG2 GLU 58 -0.856 6.715 -5.361 458 HG3 GLU 58 HG3 GLU 58 -1.816 5.292 -5.813 459 H GLY 59 H GLY 59 -2.917 9.436 -2.380 460 HA2 GLY 59 HA2 GLY 59 -4.569 10.785 -1.352 461 HA3 GLY 59 HA3 GLY 59 -5.784 10.167 -2.484 462 H TYR 60 H TYR 60 -3.818 7.623 -1.270 463 HA TYR 60 HA TYR 60 -5.881 7.017 0.799 464 HB2 TYR 60 HB2 TYR 60 -4.570 5.208 -1.247 465 HB3 TYR 60 HB3 TYR 60 -5.445 4.613 0.165 466 HD1 TYR 60 HD1 TYR 60 -5.761 5.924 -3.205 467 HD2 TYR 60 HD2 TYR 60 -7.871 5.104 0.445 468 HE1 TYR 60 HE1 TYR 60 -7.906 5.930 -4.450 469 HE2 TYR 60 HE2 TYR 60 -10.022 5.095 -0.786 470 HH TYR 60 HH TYR 60 -11.039 5.256 -2.829 471 H LYS 61 H LYS 61 -4.719 7.650 2.589 472 HA LYS 61 HA LYS 61 -1.954 6.964 3.019 473 HB2 LYS 61 HB2 LYS 61 -4.229 7.767 4.881 474 HB3 LYS 61 HB3 LYS 61 -2.535 7.595 5.393 475 HG2 LYS 61 HG2 LYS 61 -1.834 9.284 3.758 476 HG3 LYS 61 HG3 LYS 61 -3.503 9.444 3.169 477 HD2 LYS 61 HD2 LYS 61 -4.237 10.268 5.354 478 HD3 LYS 61 HD3 LYS 61 -2.603 10.021 6.021 479 HE2 LYS 61 HE2 LYS 61 -1.678 11.637 4.421 480 HE3 LYS 61 HE3 LYS 61 -3.278 11.857 3.684 481 HZ1 LYS 61 HZ1 LYS 61 -2.723 13.582 5.252 482 HZ2 LYS 61 HZ2 LYS 61 -4.060 12.746 5.728 483 HZ3 LYS 61 HZ3 LYS 61 -2.609 12.484 6.475 484 H ALA 62 H ALA 62 -1.315 5.508 4.958 485 HA ALA 62 HA ALA 62 -3.163 3.281 5.412 486 HB1 ALA 62 HB1 ALA 62 -2.160 2.709 3.240 487 HB2 ALA 62 HB2 ALA 62 -0.533 2.928 3.923 488 HB3 ALA 62 HB3 ALA 62 -1.577 1.609 4.511 489 H GLU 63 H GLU 63 -3.006 2.907 7.527 490 HA GLU 63 HA GLU 63 -0.795 3.748 9.136 491 HB2 GLU 63 HB2 GLU 63 -3.123 1.853 9.650 492 HB3 GLU 63 HB3 GLU 63 -2.000 2.411 10.902 493 HG2 GLU 63 HG2 GLU 63 -2.688 4.715 10.587 494 HG3 GLU 63 HG3 GLU 63 -3.684 4.271 9.188 495 H VAL 64 H VAL 64 1.193 2.816 8.894 496 HA VAL 64 HA VAL 64 1.669 0.090 8.248 497 HB VAL 64 HB VAL 64 3.943 0.570 9.178 498 HG11 VAL 64 HG11 VAL 64 3.353 1.097 6.849 499 HG12 VAL 64 HG12 VAL 64 2.747 2.694 7.349 500 HG13 VAL 64 HG13 VAL 64 4.477 2.309 7.503 501 HG21 VAL 64 HG21 VAL 64 2.725 3.299 9.802 502 HG22 VAL 64 HG22 VAL 64 3.370 2.141 10.991 503 HG23 VAL 64 HG23 VAL 64 4.459 2.915 9.827 504 H LEU 65 H LEU 65 0.889 -1.593 9.429 505 HA LEU 65 HA LEU 65 0.365 -1.245 12.284 506 HB2 LEU 65 HB2 LEU 65 0.164 -3.696 10.484 507 HB3 LEU 65 HB3 LEU 65 -0.434 -3.582 12.146 508 HG LEU 65 HG LEU 65 -1.386 -1.871 9.810 509 HD11 LEU 65 HD11 LEU 65 -2.712 -4.166 11.313 510 HD12 LEU 65 HD12 LEU 65 -3.462 -3.189 10.028 511 HD13 LEU 65 HD13 LEU 65 -2.077 -4.239 9.652 512 HD21 LEU 65 HD21 LEU 65 -1.556 -0.681 11.963 513 HD22 LEU 65 HD22 LEU 65 -3.165 -1.173 11.399 514 HD23 LEU 65 HD23 LEU 65 -2.360 -2.094 12.692 515 H ALA 66 H ALA 66 2.678 -0.707 12.749 516 HA ALA 66 HA ALA 66 4.159 -3.193 13.372 517 HB1 ALA 66 HB1 ALA 66 5.089 -2.340 11.252 518 HB2 ALA 66 HB2 ALA 66 5.333 -0.742 11.995 519 HB3 ALA 66 HB3 ALA 66 6.255 -2.146 12.582 Start of MODEL 2 1 H1 MET 1 H MET 1 8.753 -4.817 10.159 2 HA MET 1 HA MET 1 9.465 -4.668 7.287 3 HB2 MET 1 HB2 MET 1 9.240 -6.995 8.069 4 HB3 MET 1 HB3 MET 1 7.614 -6.632 8.691 5 HG2 MET 1 HG2 MET 1 6.880 -6.018 6.417 6 HG3 MET 1 HG3 MET 1 8.503 -6.348 5.796 7 HE1 MET 1 HE1 MET 1 7.496 -7.851 3.920 8 HE2 MET 1 HE2 MET 1 6.365 -9.193 4.208 9 HE3 MET 1 HE3 MET 1 5.859 -7.519 4.534 10 H LEU 2 H LEU 2 8.357 -3.151 6.221 11 HA LEU 2 HA LEU 2 6.282 -1.634 7.407 12 HB2 LEU 2 HB2 LEU 2 7.052 -2.065 4.493 13 HB3 LEU 2 HB3 LEU 2 5.934 -0.806 5.060 14 HG LEU 2 HG LEU 2 8.812 -1.098 6.028 15 HD11 LEU 2 HD11 LEU 2 8.706 -0.512 3.622 16 HD12 LEU 2 HD12 LEU 2 7.616 0.842 4.008 17 HD13 LEU 2 HD13 LEU 2 9.291 0.848 4.605 18 HD21 LEU 2 HD21 LEU 2 6.715 1.099 6.334 19 HD22 LEU 2 HD22 LEU 2 7.321 0.038 7.629 20 HD23 LEU 2 HD23 LEU 2 8.406 1.217 6.867 21 H LYS 3 H LYS 3 4.121 -1.799 7.442 22 HA LYS 3 HA LYS 3 2.735 -3.817 5.801 23 HB2 LYS 3 HB2 LYS 3 3.498 -4.923 7.921 24 HB3 LYS 3 HB3 LYS 3 2.578 -3.720 8.845 25 HG2 LYS 3 HG2 LYS 3 0.491 -4.484 7.737 26 HG3 LYS 3 HG3 LYS 3 1.430 -5.667 6.796 27 HD2 LYS 3 HD2 LYS 3 2.211 -6.713 8.910 28 HD3 LYS 3 HD3 LYS 3 1.225 -5.559 9.836 29 HE2 LYS 3 HE2 LYS 3 -0.815 -6.419 8.737 30 HE3 LYS 3 HE3 LYS 3 0.170 -7.551 7.787 31 HZ1 LYS 3 HZ1 LYS 3 -0.063 -7.513 10.714 32 HZ2 LYS 3 HZ2 LYS 3 -0.768 -8.608 9.699 33 HZ3 LYS 3 HZ3 LYS 3 0.873 -8.554 9.842 34 H LEU 4 H LEU 4 1.914 -1.927 4.769 35 HA LEU 4 HA LEU 4 0.874 0.302 6.206 36 HB2 LEU 4 HB2 LEU 4 0.342 -0.625 3.360 37 HB3 LEU 4 HB3 LEU 4 0.051 1.004 3.998 38 HG LEU 4 HG LEU 4 2.766 -0.371 3.819 39 HD11 LEU 4 HD11 LEU 4 3.188 1.329 2.071 40 HD12 LEU 4 HD12 LEU 4 1.828 0.272 1.631 41 HD13 LEU 4 HD13 LEU 4 1.519 1.917 2.239 42 HD21 LEU 4 HD21 LEU 4 1.987 2.458 4.645 43 HD22 LEU 4 HD22 LEU 4 2.636 1.200 5.724 44 HD23 LEU 4 HD23 LEU 4 3.649 1.864 4.424 45 H LYS 5 H LYS 5 -1.333 1.156 5.820 46 HA LYS 5 HA LYS 5 -3.521 -0.780 5.571 47 HB2 LYS 5 HB2 LYS 5 -2.948 -0.816 7.996 48 HB3 LYS 5 HB3 LYS 5 -3.120 0.953 8.049 49 HG2 LYS 5 HG2 LYS 5 -5.489 0.706 7.271 50 HG3 LYS 5 HG3 LYS 5 -5.299 -1.061 7.338 51 HD2 LYS 5 HD2 LYS 5 -4.786 -0.907 9.757 52 HD3 LYS 5 HD3 LYS 5 -4.946 0.863 9.676 53 HE2 LYS 5 HE2 LYS 5 -7.304 0.558 8.872 54 HE3 LYS 5 HE3 LYS 5 -7.122 -1.191 9.114 55 HZ1 LYS 5 HZ1 LYS 5 -8.153 -0.171 10.988 56 HZ2 LYS 5 HZ2 LYS 5 -6.667 -0.737 11.429 57 HZ3 LYS 5 HZ3 LYS 5 -6.895 0.879 11.183 58 H VAL 6 H VAL 6 -4.243 0.326 3.746 59 HA VAL 6 HA VAL 6 -4.170 3.136 3.421 60 HB VAL 6 HB VAL 6 -6.031 1.086 2.149 61 HG11 VAL 6 HG11 VAL 6 -6.739 3.370 1.616 62 HG12 VAL 6 HG12 VAL 6 -5.061 3.829 1.231 63 HG13 VAL 6 HG13 VAL 6 -5.932 2.665 0.206 64 HG21 VAL 6 HG21 VAL 6 -4.280 0.980 0.389 65 HG22 VAL 6 HG22 VAL 6 -3.249 2.053 1.359 66 HG23 VAL 6 HG23 VAL 6 -3.659 0.429 1.959 67 H GLU 7 H GLU 7 -6.287 4.457 3.062 68 HA GLU 7 HA GLU 7 -8.148 3.902 5.323 69 HB2 GLU 7 HB2 GLU 7 -6.561 5.696 5.880 70 HB3 GLU 7 HB3 GLU 7 -6.957 6.535 4.370 71 HG2 GLU 7 HG2 GLU 7 -8.127 7.586 6.215 72 HG3 GLU 7 HG3 GLU 7 -9.303 6.805 5.146 73 H GLY 8 H GLY 8 -10.304 4.574 5.018 74 HA2 GLY 8 HA2 GLY 8 -12.243 4.918 3.883 75 HA3 GLY 8 HA3 GLY 8 -11.321 5.933 2.763 76 H MET 9 H MET 9 -9.772 2.978 2.655 77 HA MET 9 HA MET 9 -10.814 2.401 0.054 78 HB2 MET 9 HB2 MET 9 -8.492 1.927 0.828 79 HB3 MET 9 HB3 MET 9 -9.132 0.691 1.923 80 HG2 MET 9 HG2 MET 9 -8.284 -0.385 -0.031 81 HG3 MET 9 HG3 MET 9 -10.035 -0.547 -0.052 82 HE1 MET 9 HE1 MET 9 -11.487 1.596 -1.479 83 HE2 MET 9 HE2 MET 9 -11.172 1.247 -3.191 84 HE3 MET 9 HE3 MET 9 -11.437 -0.089 -2.047 85 H THR 10 H THR 10 -11.916 1.642 3.242 86 HA THR 10 HA THR 10 -13.301 -0.818 2.435 87 HB THR 10 HB THR 10 -14.162 -0.666 4.803 88 HG1 THR 10 HG1 THR 10 -13.977 1.615 5.000 89 HG21 THR 10 HG21 THR 10 -12.089 -1.900 4.220 90 HG22 THR 10 HG22 THR 10 -11.142 -0.411 4.451 91 HG23 THR 10 HG23 THR 10 -11.978 -1.158 5.832 92 H CYS 11 H CYS 11 -15.704 -0.883 3.171 93 HA CYS 11 HA CYS 11 -17.825 -0.329 2.644 94 HB2 CYS 11 HB2 CYS 11 -16.899 2.392 3.619 95 HB3 CYS 11 HB3 CYS 11 -18.586 1.826 3.527 96 HG CYS 11 HG CYS 11 -17.686 1.785 6.003 97 H ASN 12 H ASN 12 -15.495 0.534 0.574 98 HA ASN 12 HA ASN 12 -16.578 2.653 -0.950 99 HB2 ASN 12 HB2 ASN 12 -15.089 1.898 -2.693 100 HB3 ASN 12 HB3 ASN 12 -14.265 1.692 -1.137 101 HD21 ASN 12 HD21 ASN 12 -13.916 -1.810 -1.451 102 HD22 ASN 12 HD22 ASN 12 -13.586 -0.365 -0.524 103 H HIS 13 H HIS 13 -17.241 2.224 -3.367 104 HA HIS 13 HA HIS 13 -19.201 -0.016 -3.489 105 HB2 HIS 13 HB2 HIS 13 -19.630 2.773 -4.598 106 HB3 HIS 13 HB3 HIS 13 -20.793 1.442 -4.556 107 HD1 HIS 13 HD1 HIS 13 -20.772 0.623 -1.551 108 HD2 HIS 13 HD2 HIS 13 -20.492 4.570 -2.985 109 HE1 HIS 13 HE1 HIS 13 -21.531 2.155 0.352 110 H CYS 14 H CYS 14 -16.494 1.541 -4.737 111 HA CYS 14 HA CYS 14 -16.648 -0.008 -7.241 112 HB2 CYS 14 HB2 CYS 14 -15.990 2.967 -7.084 113 HB3 CYS 14 HB3 CYS 14 -15.776 1.938 -8.519 114 HG CYS 14 HG CYS 14 -18.284 1.143 -8.611 115 H VAL 15 H VAL 15 -15.193 -1.385 -6.080 116 HA VAL 15 HA VAL 15 -12.922 -0.525 -4.690 117 HB VAL 15 HB VAL 15 -13.978 -2.777 -4.642 118 HG11 VAL 15 HG11 VAL 15 -14.304 -3.072 -7.074 119 HG12 VAL 15 HG12 VAL 15 -12.541 -3.153 -7.302 120 HG13 VAL 15 HG13 VAL 15 -13.377 -4.420 -6.376 121 HG21 VAL 15 HG21 VAL 15 -11.676 -2.390 -3.771 122 HG22 VAL 15 HG22 VAL 15 -11.927 -4.043 -4.376 123 HG23 VAL 15 HG23 VAL 15 -11.025 -2.872 -5.358 124 H MET 16 H MET 16 -10.609 -0.917 -5.338 125 HA MET 16 HA MET 16 -10.078 -0.413 -8.207 126 HB2 MET 16 HB2 MET 16 -9.094 1.276 -5.872 127 HB3 MET 16 HB3 MET 16 -8.480 1.390 -7.537 128 HG2 MET 16 HG2 MET 16 -10.763 1.905 -8.335 129 HG3 MET 16 HG3 MET 16 -11.360 1.850 -6.672 130 HE1 MET 16 HE1 MET 16 -9.714 4.942 -4.998 131 HE2 MET 16 HE2 MET 16 -10.870 3.600 -4.832 132 HE3 MET 16 HE3 MET 16 -9.129 3.263 -4.979 133 H ALA 17 H ALA 17 -7.395 -0.213 -8.219 134 HA ALA 17 HA ALA 17 -6.496 -2.623 -6.719 135 HB1 ALA 17 HB1 ALA 17 -5.144 -3.205 -8.693 136 HB2 ALA 17 HB2 ALA 17 -6.877 -3.137 -9.090 137 HB3 ALA 17 HB3 ALA 17 -5.802 -1.798 -9.562 138 H VAL 18 H VAL 18 -5.441 -1.581 -5.071 139 HA VAL 18 HA VAL 18 -3.779 0.710 -5.403 140 HB VAL 18 HB VAL 18 -3.661 -1.402 -3.216 141 HG11 VAL 18 HG11 VAL 18 -3.074 1.592 -3.246 142 HG12 VAL 18 HG12 VAL 18 -3.018 0.541 -1.812 143 HG13 VAL 18 HG13 VAL 18 -1.863 0.295 -3.136 144 HG21 VAL 18 HG21 VAL 18 -5.467 1.043 -3.448 145 HG22 VAL 18 HG22 VAL 18 -6.007 -0.648 -3.580 146 HG23 VAL 18 HG23 VAL 18 -5.351 -0.039 -2.045 147 H THR 19 H THR 19 -3.366 -2.359 -6.637 148 HA THR 19 HA THR 19 -0.649 -2.941 -6.090 149 HB THR 19 HB THR 19 -2.202 -3.620 -8.610 150 HG1 THR 19 HG1 THR 19 -2.908 -5.409 -7.356 151 HG21 THR 19 HG21 THR 19 -0.035 -5.068 -7.018 152 HG22 THR 19 HG22 THR 19 -0.877 -5.726 -8.438 153 HG23 THR 19 HG23 THR 19 0.176 -4.310 -8.613 154 H LYS 20 H LYS 20 -1.709 -0.130 -7.329 155 HA LYS 20 HA LYS 20 0.582 0.128 -9.219 156 HB2 LYS 20 HB2 LYS 20 -2.166 1.423 -9.240 157 HB3 LYS 20 HB3 LYS 20 -0.811 1.959 -10.253 158 HG2 LYS 20 HG2 LYS 20 -0.655 -0.293 -11.258 159 HG3 LYS 20 HG3 LYS 20 -2.041 -0.830 -10.276 160 HD2 LYS 20 HD2 LYS 20 -3.481 0.845 -11.338 161 HD3 LYS 20 HD3 LYS 20 -2.097 1.502 -12.241 162 HE2 LYS 20 HE2 LYS 20 -1.803 -0.654 -13.393 163 HE3 LYS 20 HE3 LYS 20 -3.164 -1.340 -12.485 164 HZ1 LYS 20 HZ1 LYS 20 -3.344 0.959 -14.304 165 HZ2 LYS 20 HZ2 LYS 20 -3.782 -0.584 -14.683 166 HZ3 LYS 20 HZ3 LYS 20 -4.598 0.241 -13.511 167 H ALA 21 H ALA 21 -0.205 0.760 -6.108 168 HA ALA 21 HA ALA 21 0.966 3.496 -6.215 169 HB1 ALA 21 HB1 ALA 21 -0.927 2.295 -4.165 170 HB2 ALA 21 HB2 ALA 21 -0.266 3.947 -4.145 171 HB3 ALA 21 HB3 ALA 21 -1.369 3.447 -5.447 172 H LEU 22 H LEU 22 1.769 0.322 -5.488 173 HA LEU 22 HA LEU 22 3.773 1.265 -3.484 174 HB2 LEU 22 HB2 LEU 22 2.542 -1.513 -3.725 175 HB3 LEU 22 HB3 LEU 22 3.843 -1.043 -2.641 176 HG LEU 22 HG LEU 22 1.900 -1.174 -1.335 177 HD11 LEU 22 HD11 LEU 22 3.350 0.790 -0.887 178 HD12 LEU 22 HD12 LEU 22 2.304 1.772 -1.943 179 HD13 LEU 22 HD13 LEU 22 1.651 1.078 -0.448 180 HD21 LEU 22 HD21 LEU 22 0.235 -1.045 -3.165 181 HD22 LEU 22 HD22 LEU 22 -0.179 -0.026 -1.770 182 HD23 LEU 22 HD23 LEU 22 0.480 0.717 -3.239 183 H LYS 23 H LYS 23 3.318 0.397 -6.670 184 HA LYS 23 HA LYS 23 5.694 -1.343 -6.791 185 HB2 LYS 23 HB2 LYS 23 3.552 -1.957 -7.900 186 HB3 LYS 23 HB3 LYS 23 3.723 -0.547 -8.966 187 HG2 LYS 23 HG2 LYS 23 5.827 -1.451 -9.862 188 HG3 LYS 23 HG3 LYS 23 5.756 -2.805 -8.709 189 HD2 LYS 23 HD2 LYS 23 3.631 -3.561 -9.733 190 HD3 LYS 23 HD3 LYS 23 3.713 -2.212 -10.891 191 HE2 LYS 23 HE2 LYS 23 5.874 -3.079 -11.739 192 HE3 LYS 23 HE3 LYS 23 5.785 -4.424 -10.584 193 HZ1 LYS 23 HZ1 LYS 23 5.012 -5.081 -12.729 194 HZ2 LYS 23 HZ2 LYS 23 3.762 -5.120 -11.660 195 HZ3 LYS 23 HZ3 LYS 23 3.873 -3.887 -12.750 196 H LYS 24 H LYS 24 4.977 2.037 -7.197 197 HA LYS 24 HA LYS 24 7.085 2.384 -9.219 198 HB2 LYS 24 HB2 LYS 24 5.496 4.409 -7.588 199 HB3 LYS 24 HB3 LYS 24 6.617 4.793 -8.908 200 HG2 LYS 24 HG2 LYS 24 5.240 3.435 -10.467 201 HG3 LYS 24 HG3 LYS 24 4.083 3.115 -9.153 202 HD2 LYS 24 HD2 LYS 24 3.639 5.529 -8.933 203 HD3 LYS 24 HD3 LYS 24 4.847 5.879 -10.193 204 HE2 LYS 24 HE2 LYS 24 3.535 4.535 -11.812 205 HE3 LYS 24 HE3 LYS 24 2.318 4.222 -10.558 206 HZ1 LYS 24 HZ1 LYS 24 3.058 6.874 -11.585 207 HZ2 LYS 24 HZ2 LYS 24 1.711 6.027 -12.008 208 HZ3 LYS 24 HZ3 LYS 24 1.893 6.564 -10.461 209 H VAL 25 H VAL 25 6.923 1.919 -5.844 210 HA VAL 25 HA VAL 25 9.082 3.690 -5.092 211 HB VAL 25 HB VAL 25 7.852 1.280 -3.694 212 HG11 VAL 25 HG11 VAL 25 8.807 2.328 -1.655 213 HG12 VAL 25 HG12 VAL 25 10.079 1.861 -2.804 214 HG13 VAL 25 HG13 VAL 25 9.591 3.566 -2.666 215 HG21 VAL 25 HG21 VAL 25 6.627 3.055 -2.429 216 HG22 VAL 25 HG22 VAL 25 7.294 4.272 -3.536 217 HG23 VAL 25 HG23 VAL 25 6.192 3.019 -4.153 218 HA PRO 26 HA PRO 26 12.300 1.104 -6.786 219 HB2 PRO 26 HB2 PRO 26 13.882 2.660 -4.750 220 HB3 PRO 26 HB3 PRO 26 14.276 2.350 -6.474 221 HG2 PRO 26 HG2 PRO 26 13.317 4.766 -5.714 222 HG3 PRO 26 HG3 PRO 26 12.685 3.977 -7.200 223 HD2 PRO 26 HD2 PRO 26 11.435 4.058 -4.447 224 HD3 PRO 26 HD3 PRO 26 10.666 4.299 -6.049 225 H GLY 27 H GLY 27 13.966 -0.420 -5.902 226 HA2 GLY 27 HA2 GLY 27 14.755 -1.995 -4.451 227 HA3 GLY 27 HA3 GLY 27 14.093 -1.046 -3.111 228 H VAL 28 H VAL 28 11.342 -1.323 -4.765 229 HA VAL 28 HA VAL 28 10.505 -3.695 -3.280 230 HB VAL 28 HB VAL 28 9.045 -1.878 -5.250 231 HG11 VAL 28 HG11 VAL 28 7.917 -4.052 -5.091 232 HG12 VAL 28 HG12 VAL 28 8.007 -3.991 -3.312 233 HG13 VAL 28 HG13 VAL 28 6.993 -2.829 -4.198 234 HG21 VAL 28 HG21 VAL 28 9.068 -1.995 -2.201 235 HG22 VAL 28 HG22 VAL 28 9.805 -0.719 -3.198 236 HG23 VAL 28 HG23 VAL 28 8.041 -0.930 -3.188 237 H GLU 29 H GLU 29 9.437 -5.551 -4.363 238 HA GLU 29 HA GLU 29 10.113 -5.899 -7.206 239 HB2 GLU 29 HB2 GLU 29 12.105 -6.671 -5.927 240 HB3 GLU 29 HB3 GLU 29 11.082 -7.798 -5.022 241 HG2 GLU 29 HG2 GLU 29 10.495 -8.989 -7.087 242 HG3 GLU 29 HG3 GLU 29 11.381 -7.799 -8.056 243 H LYS 30 H LYS 30 8.252 -6.584 -4.346 244 HA LYS 30 HA LYS 30 6.236 -7.921 -6.041 245 HB2 LYS 30 HB2 LYS 30 7.317 -9.049 -3.422 246 HB3 LYS 30 HB3 LYS 30 5.872 -9.632 -4.269 247 HG2 LYS 30 HG2 LYS 30 7.262 -10.173 -6.256 248 HG3 LYS 30 HG3 LYS 30 8.715 -9.658 -5.362 249 HD2 LYS 30 HD2 LYS 30 8.280 -11.365 -3.639 250 HD3 LYS 30 HD3 LYS 30 6.794 -11.858 -4.486 251 HE2 LYS 30 HE2 LYS 30 8.122 -12.485 -6.470 252 HE3 LYS 30 HE3 LYS 30 9.610 -11.983 -5.642 253 HZ1 LYS 30 HZ1 LYS 30 9.238 -14.343 -5.507 254 HZ2 LYS 30 HZ2 LYS 30 9.202 -13.660 -4.005 255 HZ3 LYS 30 HZ3 LYS 30 7.799 -14.112 -4.734 256 H VAL 31 H VAL 31 4.115 -8.004 -4.890 257 HA VAL 31 HA VAL 31 3.813 -6.248 -2.554 258 HB VAL 31 HB VAL 31 2.490 -5.688 -5.249 259 HG11 VAL 31 HG11 VAL 31 1.492 -3.738 -4.080 260 HG12 VAL 31 HG12 VAL 31 0.946 -5.277 -3.386 261 HG13 VAL 31 HG13 VAL 31 2.186 -4.314 -2.547 262 HG21 VAL 31 HG21 VAL 31 4.795 -4.845 -5.191 263 HG22 VAL 31 HG22 VAL 31 3.647 -3.497 -5.092 264 HG23 VAL 31 HG23 VAL 31 4.487 -4.055 -3.627 265 H GLU 32 H GLU 32 1.755 -6.592 -1.530 266 HA GLU 32 HA GLU 32 -0.099 -8.509 -2.782 267 HB2 GLU 32 HB2 GLU 32 1.203 -8.917 -0.055 268 HB3 GLU 32 HB3 GLU 32 -0.217 -9.810 -0.646 269 HG2 GLU 32 HG2 GLU 32 1.109 -10.608 -2.591 270 HG3 GLU 32 HG3 GLU 32 2.536 -9.767 -1.946 271 H VAL 33 H VAL 33 -2.230 -8.349 -1.843 272 HA VAL 33 HA VAL 33 -2.678 -6.255 0.171 273 HB VAL 33 HB VAL 33 -4.223 -5.038 -1.364 274 HG11 VAL 33 HG11 VAL 33 -1.896 -4.231 -1.017 275 HG12 VAL 33 HG12 VAL 33 -1.382 -5.167 -2.443 276 HG13 VAL 33 HG13 VAL 33 -2.532 -3.828 -2.627 277 HG21 VAL 33 HG21 VAL 33 -4.069 -5.437 -3.787 278 HG22 VAL 33 HG22 VAL 33 -2.906 -6.753 -3.518 279 HG23 VAL 33 HG23 VAL 33 -4.586 -6.924 -2.958 280 H SER 34 H SER 34 -5.233 -5.963 0.299 281 HA SER 34 HA SER 34 -6.675 -8.461 -0.284 282 HB2 SER 34 HB2 SER 34 -5.630 -8.818 1.934 283 HB3 SER 34 HB3 SER 34 -6.370 -7.312 2.521 284 HG SER 34 HG SER 34 -7.580 -9.212 3.023 285 H LEU 35 H LEU 35 -8.212 -7.491 -1.558 286 HA LEU 35 HA LEU 35 -9.166 -4.830 -1.161 287 HB2 LEU 35 HB2 LEU 35 -10.287 -7.186 -2.721 288 HB3 LEU 35 HB3 LEU 35 -10.917 -5.532 -2.822 289 HG LEU 35 HG LEU 35 -8.063 -6.351 -3.493 290 HD11 LEU 35 HD11 LEU 35 -8.749 -5.938 -5.828 291 HD12 LEU 35 HD12 LEU 35 -9.719 -7.237 -5.098 292 HD13 LEU 35 HD13 LEU 35 -10.412 -5.608 -5.285 293 HD21 LEU 35 HD21 LEU 35 -8.282 -3.993 -2.711 294 HD22 LEU 35 HD22 LEU 35 -7.918 -4.074 -4.449 295 HD23 LEU 35 HD23 LEU 35 -9.574 -3.732 -3.900 296 H GLU 36 H GLU 36 -9.742 -7.501 0.794 297 HA GLU 36 HA GLU 36 -12.468 -6.494 1.428 298 HB2 GLU 36 HB2 GLU 36 -12.298 -8.829 0.531 299 HB3 GLU 36 HB3 GLU 36 -11.347 -9.264 1.970 300 HG2 GLU 36 HG2 GLU 36 -13.246 -8.645 3.408 301 HG3 GLU 36 HG3 GLU 36 -14.154 -8.062 1.995 302 H LYS 37 H LYS 37 -9.337 -6.227 2.427 303 HA LYS 37 HA LYS 37 -10.226 -5.847 5.243 304 HB2 LYS 37 HB2 LYS 37 -7.581 -7.035 4.328 305 HB3 LYS 37 HB3 LYS 37 -8.031 -6.683 6.007 306 HG2 LYS 37 HG2 LYS 37 -9.523 -8.621 4.190 307 HG3 LYS 37 HG3 LYS 37 -8.292 -9.094 5.377 308 HD2 LYS 37 HD2 LYS 37 -9.632 -8.160 7.205 309 HD3 LYS 37 HD3 LYS 37 -10.874 -7.625 6.053 310 HE2 LYS 37 HE2 LYS 37 -10.006 -10.510 6.502 311 HE3 LYS 37 HE3 LYS 37 -11.485 -9.764 7.139 312 HZ1 LYS 37 HZ1 LYS 37 -11.941 -10.965 5.156 313 HZ2 LYS 37 HZ2 LYS 37 -12.164 -9.358 4.875 314 HZ3 LYS 37 HZ3 LYS 37 -10.814 -10.115 4.303 315 H GLY 38 H GLY 38 -8.813 -4.610 2.399 316 HA2 GLY 38 HA2 GLY 38 -8.022 -2.529 1.902 317 HA3 GLY 38 HA3 GLY 38 -8.419 -2.018 3.551 318 H GLU 39 H GLU 39 -6.510 -4.690 4.023 319 HA GLU 39 HA GLU 39 -4.226 -3.089 4.775 320 HB2 GLU 39 HB2 GLU 39 -4.609 -6.105 4.569 321 HB3 GLU 39 HB3 GLU 39 -3.248 -5.290 5.370 322 HG2 GLU 39 HG2 GLU 39 -4.819 -4.200 6.939 323 HG3 GLU 39 HG3 GLU 39 -6.182 -5.015 6.146 324 H ALA 40 H ALA 40 -1.971 -3.681 4.031 325 HA ALA 40 HA ALA 40 -1.727 -4.880 1.382 326 HB1 ALA 40 HB1 ALA 40 -2.355 -2.554 0.814 327 HB2 ALA 40 HB2 ALA 40 -1.055 -1.944 1.866 328 HB3 ALA 40 HB3 ALA 40 -0.652 -2.869 0.401 329 H LEU 41 H LEU 41 0.505 -5.336 0.873 330 HA LEU 41 HA LEU 41 2.517 -4.626 2.908 331 HB2 LEU 41 HB2 LEU 41 1.908 -7.506 2.093 332 HB3 LEU 41 HB3 LEU 41 3.291 -6.958 3.048 333 HG LEU 41 HG LEU 41 1.426 -5.931 4.626 334 HD11 LEU 41 HD11 LEU 41 -0.552 -7.416 4.746 335 HD12 LEU 41 HD12 LEU 41 -0.498 -6.616 3.163 336 HD13 LEU 41 HD13 LEU 41 0.017 -8.307 3.317 337 HD21 LEU 41 HD21 LEU 41 1.521 -8.042 5.914 338 HD22 LEU 41 HD22 LEU 41 2.111 -8.894 4.466 339 HD23 LEU 41 HD23 LEU 41 3.108 -7.631 5.226 340 H VAL 42 H VAL 42 4.723 -5.426 2.142 341 HA VAL 42 HA VAL 42 4.947 -5.919 -0.737 342 HB VAL 42 HB VAL 42 6.498 -4.065 -1.101 343 HG11 VAL 42 HG11 VAL 42 4.939 -2.186 -1.042 344 HG12 VAL 42 HG12 VAL 42 4.079 -3.667 -1.517 345 HG13 VAL 42 HG13 VAL 42 3.914 -3.031 0.137 346 HG21 VAL 42 HG21 VAL 42 5.810 -3.219 1.743 347 HG22 VAL 42 HG22 VAL 42 7.373 -3.874 1.200 348 HG23 VAL 42 HG23 VAL 42 6.811 -2.305 0.589 349 H GLU 43 H GLU 43 7.389 -6.198 -1.247 350 HA GLU 43 HA GLU 43 8.972 -7.014 1.106 351 HB2 GLU 43 HB2 GLU 43 8.336 -8.841 -1.249 352 HB3 GLU 43 HB3 GLU 43 9.557 -9.159 0.004 353 HG2 GLU 43 HG2 GLU 43 7.752 -8.979 1.738 354 HG3 GLU 43 HG3 GLU 43 6.559 -8.836 0.433 355 H GLY 44 H GLY 44 10.470 -5.410 0.794 356 HA2 GLY 44 HA2 GLY 44 12.362 -5.735 -1.328 357 HA3 GLY 44 HA3 GLY 44 11.332 -4.317 -1.616 358 H THR 45 H THR 45 13.908 -3.769 -1.332 359 HA THR 45 HA THR 45 14.721 -3.347 1.415 360 HB THR 45 HB THR 45 16.701 -2.331 0.339 361 HG1 THR 45 HG1 THR 45 15.643 -1.359 -1.409 362 HG21 THR 45 HG21 THR 45 17.442 -4.335 -0.878 363 HG22 THR 45 HG22 THR 45 16.507 -4.803 0.560 364 HG23 THR 45 HG23 THR 45 15.759 -4.877 -1.053 365 H ALA 46 H ALA 46 12.341 -1.812 -0.190 366 HA ALA 46 HA ALA 46 13.010 0.911 -0.267 367 HB1 ALA 46 HB1 ALA 46 10.343 -0.393 0.405 368 HB2 ALA 46 HB2 ALA 46 10.575 1.285 -0.139 369 HB3 ALA 46 HB3 ALA 46 10.961 -0.065 -1.232 370 H ASP 47 H ASP 47 11.869 2.600 1.218 371 HA ASP 47 HA ASP 47 12.386 1.835 4.054 372 HB2 ASP 47 HB2 ASP 47 12.942 4.446 2.592 373 HB3 ASP 47 HB3 ASP 47 13.141 4.199 4.335 374 HA PRO 48 HA PRO 48 8.426 3.210 5.214 375 HB2 PRO 48 HB2 PRO 48 9.704 5.105 7.163 376 HB3 PRO 48 HB3 PRO 48 8.466 3.844 7.475 377 HG2 PRO 48 HG2 PRO 48 11.060 3.449 8.182 378 HG3 PRO 48 HG3 PRO 48 10.112 2.120 7.434 379 HD2 PRO 48 HD2 PRO 48 12.111 3.966 6.126 380 HD3 PRO 48 HD3 PRO 48 11.905 2.197 5.923 381 H LYS 49 H LYS 49 10.857 5.732 4.616 382 HA LYS 49 HA LYS 49 8.828 7.822 4.323 383 HB2 LYS 49 HB2 LYS 49 11.851 7.790 3.978 384 HB3 LYS 49 HB3 LYS 49 10.826 9.238 3.832 385 HG2 LYS 49 HG2 LYS 49 10.003 8.901 6.137 386 HG3 LYS 49 HG3 LYS 49 11.031 7.460 6.302 387 HD2 LYS 49 HD2 LYS 49 13.045 8.827 5.975 388 HD3 LYS 49 HD3 LYS 49 12.041 10.274 5.715 389 HE2 LYS 49 HE2 LYS 49 11.105 10.048 7.984 390 HE3 LYS 49 HE3 LYS 49 12.081 8.590 8.253 391 HZ1 LYS 49 HZ1 LYS 49 14.040 9.916 8.012 392 HZ2 LYS 49 HZ2 LYS 49 13.153 11.271 7.708 393 HZ3 LYS 49 HZ3 LYS 49 13.082 10.551 9.191 394 H ALA 50 H ALA 50 9.676 5.297 2.383 395 HA ALA 50 HA ALA 50 9.239 6.937 -0.066 396 HB1 ALA 50 HB1 ALA 50 11.571 6.149 0.048 397 HB2 ALA 50 HB2 ALA 50 10.999 4.475 0.251 398 HB3 ALA 50 HB3 ALA 50 10.684 5.346 -1.269 399 H LEU 51 H LEU 51 7.913 4.712 2.027 400 HA LEU 51 HA LEU 51 6.375 3.423 -0.175 401 HB2 LEU 51 HB2 LEU 51 7.894 1.971 1.326 402 HB3 LEU 51 HB3 LEU 51 6.743 2.336 2.626 403 HG LEU 51 HG LEU 51 4.912 1.480 1.009 404 HD11 LEU 51 HD11 LEU 51 7.391 0.349 -0.358 405 HD12 LEU 51 HD12 LEU 51 5.707 -0.095 -0.723 406 HD13 LEU 51 HD13 LEU 51 6.279 1.552 -1.050 407 HD21 LEU 51 HD21 LEU 51 5.714 0.213 2.965 408 HD22 LEU 51 HD22 LEU 51 5.357 -0.862 1.597 409 HD23 LEU 51 HD23 LEU 51 7.046 -0.454 1.989 410 H VAL 52 H VAL 52 6.256 5.832 2.117 411 HA VAL 52 HA VAL 52 3.314 5.462 2.455 412 HB VAL 52 HB VAL 52 5.298 6.754 4.369 413 HG11 VAL 52 HG11 VAL 52 3.345 6.878 5.889 414 HG12 VAL 52 HG12 VAL 52 3.072 7.825 4.412 415 HG13 VAL 52 HG13 VAL 52 2.302 6.231 4.600 416 HG21 VAL 52 HG21 VAL 52 4.761 4.844 5.835 417 HG22 VAL 52 HG22 VAL 52 3.714 4.158 4.567 418 HG23 VAL 52 HG23 VAL 52 5.470 4.283 4.307 419 H GLN 53 H GLN 53 6.050 7.503 1.602 420 HA GLN 53 HA GLN 53 4.514 9.951 1.377 421 HB2 GLN 53 HB2 GLN 53 6.958 9.880 1.772 422 HB3 GLN 53 HB3 GLN 53 7.194 9.074 0.212 423 HG2 GLN 53 HG2 GLN 53 6.297 11.051 -0.960 424 HG3 GLN 53 HG3 GLN 53 5.996 11.847 0.601 425 HE21 GLN 53 HE21 GLN 53 9.629 12.119 -1.142 426 HE22 GLN 53 HE22 GLN 53 8.205 11.502 -1.950 427 H ALA 54 H ALA 54 4.756 7.031 -0.394 428 HA ALA 54 HA ALA 54 4.234 8.193 -3.023 429 HB1 ALA 54 HB1 ALA 54 4.081 5.805 -3.685 430 HB2 ALA 54 HB2 ALA 54 5.573 6.142 -2.773 431 HB3 ALA 54 HB3 ALA 54 4.203 5.341 -1.969 432 H VAL 55 H VAL 55 2.430 5.966 -0.787 433 HA VAL 55 HA VAL 55 0.027 6.142 -2.298 434 HB VAL 55 HB VAL 55 -1.009 5.109 -0.299 435 HG11 VAL 55 HG11 VAL 55 0.232 3.727 -1.931 436 HG12 VAL 55 HG12 VAL 55 1.731 3.977 -1.005 437 HG13 VAL 55 HG13 VAL 55 0.376 3.077 -0.284 438 HG21 VAL 55 HG21 VAL 55 0.238 6.351 1.445 439 HG22 VAL 55 HG22 VAL 55 0.399 4.595 1.663 440 HG23 VAL 55 HG23 VAL 55 1.738 5.527 0.959 441 H GLU 56 H GLU 56 1.463 8.249 0.130 442 HA GLU 56 HA GLU 56 -1.045 9.590 0.738 443 HB2 GLU 56 HB2 GLU 56 0.833 9.425 2.337 444 HB3 GLU 56 HB3 GLU 56 1.856 10.380 1.243 445 HG2 GLU 56 HG2 GLU 56 0.389 12.311 1.485 446 HG3 GLU 56 HG3 GLU 56 -0.789 11.347 2.399 447 H GLU 57 H GLU 57 1.329 9.691 -1.796 448 HA GLU 57 HA GLU 57 0.691 12.438 -2.608 449 HB2 GLU 57 HB2 GLU 57 2.953 11.436 -2.883 450 HB3 GLU 57 HB3 GLU 57 2.267 10.205 -3.958 451 HG2 GLU 57 HG2 GLU 57 1.586 11.972 -5.549 452 HG3 GLU 57 HG3 GLU 57 2.245 13.205 -4.454 453 H GLU 58 H GLU 58 -0.456 9.182 -3.063 454 HA GLU 58 HA GLU 58 -1.860 9.736 -5.567 455 HB2 GLU 58 HB2 GLU 58 -1.918 7.407 -3.604 456 HB3 GLU 58 HB3 GLU 58 -2.788 7.443 -5.149 457 HG2 GLU 58 HG2 GLU 58 0.228 7.719 -4.845 458 HG3 GLU 58 HG3 GLU 58 -0.623 6.235 -5.309 459 H GLY 59 H GLY 59 -2.343 10.664 -2.379 460 HA2 GLY 59 HA2 GLY 59 -4.176 11.909 -1.641 461 HA3 GLY 59 HA3 GLY 59 -5.171 11.225 -2.941 462 H TYR 60 H TYR 60 -3.519 8.657 -1.531 463 HA TYR 60 HA TYR 60 -5.637 8.225 0.515 464 HB2 TYR 60 HB2 TYR 60 -4.708 6.225 -1.573 465 HB3 TYR 60 HB3 TYR 60 -5.855 5.905 -0.268 466 HD1 TYR 60 HD1 TYR 60 -5.332 7.608 -3.497 467 HD2 TYR 60 HD2 TYR 60 -8.146 6.696 -0.384 468 HE1 TYR 60 HE1 TYR 60 -7.188 8.333 -4.975 469 HE2 TYR 60 HE2 TYR 60 -10.015 7.404 -1.857 470 HH TYR 60 HH TYR 60 -9.449 8.645 -5.175 471 H LYS 61 H LYS 61 -3.950 8.839 2.034 472 HA LYS 61 HA LYS 61 -1.425 7.563 2.146 473 HB2 LYS 61 HB2 LYS 61 -1.347 8.387 4.453 474 HB3 LYS 61 HB3 LYS 61 -2.004 9.634 3.372 475 HG2 LYS 61 HG2 LYS 61 -4.300 9.036 4.057 476 HG3 LYS 61 HG3 LYS 61 -3.663 7.752 5.110 477 HD2 LYS 61 HD2 LYS 61 -2.438 9.425 6.439 478 HD3 LYS 61 HD3 LYS 61 -3.025 10.719 5.370 479 HE2 LYS 61 HE2 LYS 61 -5.362 10.148 5.980 480 HE3 LYS 61 HE3 LYS 61 -4.763 8.881 7.070 481 HZ1 LYS 61 HZ1 LYS 61 -5.240 10.900 8.239 482 HZ2 LYS 61 HZ2 LYS 61 -3.625 10.583 8.309 483 HZ3 LYS 61 HZ3 LYS 61 -4.193 11.755 7.297 484 H ALA 62 H ALA 62 -0.727 6.136 4.029 485 HA ALA 62 HA ALA 62 -2.756 4.261 5.006 486 HB1 ALA 62 HB1 ALA 62 -2.143 3.389 2.748 487 HB2 ALA 62 HB2 ALA 62 -0.436 3.357 3.245 488 HB3 ALA 62 HB3 ALA 62 -1.618 2.305 4.057 489 H GLU 63 H GLU 63 -2.222 4.491 7.158 490 HA GLU 63 HA GLU 63 0.460 5.024 8.048 491 HB2 GLU 63 HB2 GLU 63 -2.034 4.052 9.495 492 HB3 GLU 63 HB3 GLU 63 -0.513 4.503 10.300 493 HG2 GLU 63 HG2 GLU 63 -0.640 6.752 9.240 494 HG3 GLU 63 HG3 GLU 63 -2.200 6.310 8.521 495 H VAL 64 H VAL 64 1.491 3.505 9.756 496 HA VAL 64 HA VAL 64 1.866 0.909 8.438 497 HB VAL 64 HB VAL 64 3.721 0.668 10.050 498 HG11 VAL 64 HG11 VAL 64 3.670 3.423 8.759 499 HG12 VAL 64 HG12 VAL 64 5.114 2.495 9.218 500 HG13 VAL 64 HG13 VAL 64 4.057 1.902 7.915 501 HG21 VAL 64 HG21 VAL 64 4.285 2.523 11.574 502 HG22 VAL 64 HG22 VAL 64 2.812 3.389 11.083 503 HG23 VAL 64 HG23 VAL 64 2.688 1.850 11.966 504 H LEU 65 H LEU 65 2.379 -0.891 10.215 505 HA LEU 65 HA LEU 65 0.280 -0.947 12.301 506 HB2 LEU 65 HB2 LEU 65 0.804 -3.072 10.185 507 HB3 LEU 65 HB3 LEU 65 -0.148 -3.349 11.655 508 HG LEU 65 HG LEU 65 -0.798 -1.234 9.559 509 HD11 LEU 65 HD11 LEU 65 -2.664 -2.767 8.975 510 HD12 LEU 65 HD12 LEU 65 -1.080 -3.513 8.676 511 HD13 LEU 65 HD13 LEU 65 -2.019 -3.972 10.116 512 HD21 LEU 65 HD21 LEU 65 -1.614 -0.688 11.836 513 HD22 LEU 65 HD22 LEU 65 -2.961 -1.137 10.775 514 HD23 LEU 65 HD23 LEU 65 -2.343 -2.307 11.964 515 H ALA 66 H ALA 66 3.437 -0.883 11.608 516 HA ALA 66 HA ALA 66 4.153 -2.460 13.983 517 HB1 ALA 66 HB1 ALA 66 4.432 -4.031 12.077 518 HB2 ALA 66 HB2 ALA 66 5.465 -2.839 11.256 519 HB3 ALA 66 HB3 ALA 66 6.000 -3.575 12.784 Start of MODEL 3 1 H1 MET 1 H MET 1 7.986 -5.652 10.571 2 HA MET 1 HA MET 1 9.184 -4.704 8.037 3 HB2 MET 1 HB2 MET 1 8.869 -7.169 8.182 4 HB3 MET 1 HB3 MET 1 7.129 -6.912 8.416 5 HG2 MET 1 HG2 MET 1 6.952 -5.850 6.237 6 HG3 MET 1 HG3 MET 1 8.707 -5.892 6.022 7 HE1 MET 1 HE1 MET 1 10.080 -7.686 5.423 8 HE2 MET 1 HE2 MET 1 9.523 -9.082 4.454 9 HE3 MET 1 HE3 MET 1 9.231 -7.419 3.891 10 H LEU 2 H LEU 2 7.443 -4.011 6.415 11 HA LEU 2 HA LEU 2 5.698 -2.118 7.819 12 HB2 LEU 2 HB2 LEU 2 6.241 -2.583 4.857 13 HB3 LEU 2 HB3 LEU 2 5.384 -1.190 5.552 14 HG LEU 2 HG LEU 2 8.274 -1.956 6.174 15 HD11 LEU 2 HD11 LEU 2 7.974 -1.177 3.842 16 HD12 LEU 2 HD12 LEU 2 7.167 0.292 4.448 17 HD13 LEU 2 HD13 LEU 2 8.880 -0.001 4.821 18 HD21 LEU 2 HD21 LEU 2 6.628 0.517 6.860 19 HD22 LEU 2 HD22 LEU 2 7.166 -0.730 8.013 20 HD23 LEU 2 HD23 LEU 2 8.359 0.303 7.197 21 H LYS 3 H LYS 3 3.407 -1.940 7.370 22 HA LYS 3 HA LYS 3 2.062 -4.256 6.179 23 HB2 LYS 3 HB2 LYS 3 2.806 -4.871 8.532 24 HB3 LYS 3 HB3 LYS 3 1.705 -3.621 9.141 25 HG2 LYS 3 HG2 LYS 3 -0.208 -4.787 8.182 26 HG3 LYS 3 HG3 LYS 3 0.867 -5.878 7.278 27 HD2 LYS 3 HD2 LYS 3 1.785 -6.722 9.450 28 HD3 LYS 3 HD3 LYS 3 0.565 -5.750 10.305 29 HE2 LYS 3 HE2 LYS 3 -1.228 -6.957 9.089 30 HE3 LYS 3 HE3 LYS 3 -0.002 -7.911 8.231 31 HZ1 LYS 3 HZ1 LYS 3 0.715 -8.769 10.348 32 HZ2 LYS 3 HZ2 LYS 3 -0.442 -7.896 11.135 33 HZ3 LYS 3 HZ3 LYS 3 -0.880 -9.096 10.094 34 H LEU 4 H LEU 4 1.263 -2.571 4.768 35 HA LEU 4 HA LEU 4 0.488 -0.036 5.940 36 HB2 LEU 4 HB2 LEU 4 0.900 -1.231 3.232 37 HB3 LEU 4 HB3 LEU 4 -0.240 0.119 3.335 38 HG LEU 4 HG LEU 4 1.464 1.487 4.503 39 HD11 LEU 4 HD11 LEU 4 3.799 0.707 4.575 40 HD12 LEU 4 HD12 LEU 4 2.752 -0.367 5.525 41 HD13 LEU 4 HD13 LEU 4 3.304 -0.869 3.909 42 HD21 LEU 4 HD21 LEU 4 1.236 1.581 2.035 43 HD22 LEU 4 HD22 LEU 4 2.921 1.839 2.541 44 HD23 LEU 4 HD23 LEU 4 2.421 0.264 1.879 45 H LYS 5 H LYS 5 -1.369 0.006 7.090 46 HA LYS 5 HA LYS 5 -3.801 -1.272 6.038 47 HB2 LYS 5 HB2 LYS 5 -3.405 -1.095 8.512 48 HB3 LYS 5 HB3 LYS 5 -3.414 0.677 8.347 49 HG2 LYS 5 HG2 LYS 5 -5.711 0.396 7.214 50 HG3 LYS 5 HG3 LYS 5 -5.698 -1.270 7.830 51 HD2 LYS 5 HD2 LYS 5 -5.474 -0.411 10.137 52 HD3 LYS 5 HD3 LYS 5 -5.371 1.252 9.510 53 HE2 LYS 5 HE2 LYS 5 -7.633 0.978 8.493 54 HE3 LYS 5 HE3 LYS 5 -7.747 -0.635 9.225 55 HZ1 LYS 5 HZ1 LYS 5 -7.429 1.896 10.684 56 HZ2 LYS 5 HZ2 LYS 5 -8.827 1.041 10.542 57 HZ3 LYS 5 HZ3 LYS 5 -7.550 0.403 11.371 58 H VAL 6 H VAL 6 -4.359 -0.342 4.147 59 HA VAL 6 HA VAL 6 -3.826 2.286 3.349 60 HB VAL 6 HB VAL 6 -5.992 0.384 2.369 61 HG11 VAL 6 HG11 VAL 6 -4.540 2.725 1.058 62 HG12 VAL 6 HG12 VAL 6 -5.629 1.599 0.214 63 HG13 VAL 6 HG13 VAL 6 -6.266 2.662 1.485 64 HG21 VAL 6 HG21 VAL 6 -3.742 -0.666 2.391 65 HG22 VAL 6 HG22 VAL 6 -4.272 -0.320 0.731 66 HG23 VAL 6 HG23 VAL 6 -3.082 0.739 1.523 67 H GLU 7 H GLU 7 -5.051 4.086 3.098 68 HA GLU 7 HA GLU 7 -6.771 4.891 5.175 69 HB2 GLU 7 HB2 GLU 7 -5.361 6.364 3.730 70 HB3 GLU 7 HB3 GLU 7 -6.440 6.024 2.364 71 HG2 GLU 7 HG2 GLU 7 -6.965 8.186 3.423 72 HG3 GLU 7 HG3 GLU 7 -8.319 7.058 3.588 73 H GLY 8 H GLY 8 -9.077 5.664 4.810 74 HA2 GLY 8 HA2 GLY 8 -10.567 3.325 4.285 75 HA3 GLY 8 HA3 GLY 8 -11.217 4.919 4.682 76 H MET 9 H MET 9 -9.274 4.085 1.769 77 HA MET 9 HA MET 9 -11.139 4.979 -0.150 78 HB2 MET 9 HB2 MET 9 -9.203 2.621 -0.249 79 HB3 MET 9 HB3 MET 9 -9.972 3.359 -1.658 80 HG2 MET 9 HG2 MET 9 -8.769 5.426 -1.291 81 HG3 MET 9 HG3 MET 9 -8.075 4.788 0.217 82 HE1 MET 9 HE1 MET 9 -7.107 3.269 -4.057 83 HE2 MET 9 HE2 MET 9 -8.688 3.005 -3.290 84 HE3 MET 9 HE3 MET 9 -8.150 4.658 -3.671 85 H THR 10 H THR 10 -10.956 2.002 1.760 86 HA THR 10 HA THR 10 -12.214 0.376 -0.249 87 HB THR 10 HB THR 10 -11.974 -1.386 1.466 88 HG1 THR 10 HG1 THR 10 -12.426 -0.375 3.343 89 HG21 THR 10 HG21 THR 10 -9.982 -0.670 0.137 90 HG22 THR 10 HG22 THR 10 -9.581 0.504 1.410 91 HG23 THR 10 HG23 THR 10 -9.543 -1.237 1.764 92 H CYS 11 H CYS 11 -14.033 -0.813 -0.126 93 HA CYS 11 HA CYS 11 -16.221 -1.231 0.078 94 HB2 CYS 11 HB2 CYS 11 -15.569 -0.857 3.026 95 HB3 CYS 11 HB3 CYS 11 -16.929 -1.779 2.348 96 HG CYS 11 HG CYS 11 -15.448 -3.646 2.929 97 H ASN 12 H ASN 12 -15.598 1.831 -0.150 98 HA ASN 12 HA ASN 12 -17.918 2.731 1.452 99 HB2 ASN 12 HB2 ASN 12 -17.319 4.957 0.711 100 HB3 ASN 12 HB3 ASN 12 -15.860 4.128 1.276 101 HD21 ASN 12 HD21 ASN 12 -15.812 5.789 -2.336 102 HD22 ASN 12 HD22 ASN 12 -16.892 6.210 -1.024 103 H HIS 13 H HIS 13 -16.915 2.936 -1.994 104 HA HIS 13 HA HIS 13 -19.642 2.050 -2.717 105 HB2 HIS 13 HB2 HIS 13 -18.093 4.297 -4.037 106 HB3 HIS 13 HB3 HIS 13 -19.454 3.458 -4.795 107 HD1 HIS 13 HD1 HIS 13 -21.873 4.142 -4.008 108 HD2 HIS 13 HD2 HIS 13 -18.704 5.792 -1.778 109 HE1 HIS 13 HE1 HIS 13 -22.894 5.911 -2.475 110 H CYS 14 H CYS 14 -16.203 2.243 -3.322 111 HA CYS 14 HA CYS 14 -16.439 0.122 -5.400 112 HB2 CYS 14 HB2 CYS 14 -14.796 2.674 -5.572 113 HB3 CYS 14 HB3 CYS 14 -14.888 1.402 -6.812 114 HG CYS 14 HG CYS 14 -16.251 3.586 -7.463 115 H VAL 15 H VAL 15 -13.946 -0.091 -6.233 116 HA VAL 15 HA VAL 15 -12.074 -0.411 -3.991 117 HB VAL 15 HB VAL 15 -13.283 -2.565 -4.196 118 HG11 VAL 15 HG11 VAL 15 -13.077 -3.887 -6.276 119 HG12 VAL 15 HG12 VAL 15 -13.938 -2.362 -6.578 120 HG13 VAL 15 HG13 VAL 15 -12.235 -2.533 -7.062 121 HG21 VAL 15 HG21 VAL 15 -11.343 -4.015 -4.510 122 HG22 VAL 15 HG22 VAL 15 -10.467 -2.720 -5.353 123 HG23 VAL 15 HG23 VAL 15 -10.856 -2.552 -3.623 124 H MET 16 H MET 16 -9.821 -0.597 -4.839 125 HA MET 16 HA MET 16 -9.547 0.097 -7.707 126 HB2 MET 16 HB2 MET 16 -8.364 1.688 -5.396 127 HB3 MET 16 HB3 MET 16 -8.003 1.941 -7.117 128 HG2 MET 16 HG2 MET 16 -10.382 2.438 -7.546 129 HG3 MET 16 HG3 MET 16 -10.747 2.192 -5.832 130 HE1 MET 16 HE1 MET 16 -11.236 6.041 -6.359 131 HE2 MET 16 HE2 MET 16 -11.566 4.745 -7.532 132 HE3 MET 16 HE3 MET 16 -11.983 4.518 -5.816 133 H ALA 17 H ALA 17 -7.290 -0.151 -8.469 134 HA ALA 17 HA ALA 17 -6.000 -2.405 -7.085 135 HB1 ALA 17 HB1 ALA 17 -6.341 -2.489 -9.528 136 HB2 ALA 17 HB2 ALA 17 -5.385 -1.001 -9.718 137 HB3 ALA 17 HB3 ALA 17 -4.608 -2.489 -9.127 138 H VAL 18 H VAL 18 -5.200 -1.318 -5.209 139 HA VAL 18 HA VAL 18 -3.561 1.020 -5.359 140 HB VAL 18 HB VAL 18 -3.706 -1.151 -3.223 141 HG11 VAL 18 HG11 VAL 18 -2.859 1.776 -3.118 142 HG12 VAL 18 HG12 VAL 18 -3.045 0.710 -1.706 143 HG13 VAL 18 HG13 VAL 18 -1.791 0.367 -2.915 144 HG21 VAL 18 HG21 VAL 18 -5.315 1.411 -3.592 145 HG22 VAL 18 HG22 VAL 18 -5.939 -0.247 -3.754 146 HG23 VAL 18 HG23 VAL 18 -5.387 0.344 -2.172 147 H THR 19 H THR 19 -2.979 -2.297 -6.153 148 HA THR 19 HA THR 19 -0.323 -2.640 -5.400 149 HB THR 19 HB THR 19 -1.644 -3.599 -7.965 150 HG1 THR 19 HG1 THR 19 -2.195 -5.386 -6.598 151 HG21 THR 19 HG21 THR 19 0.539 -4.840 -6.236 152 HG22 THR 19 HG22 THR 19 -0.109 -5.492 -7.753 153 HG23 THR 19 HG23 THR 19 0.828 -3.982 -7.773 154 H LYS 20 H LYS 20 -1.656 -0.926 -8.263 155 HA LYS 20 HA LYS 20 0.845 -0.607 -9.585 156 HB2 LYS 20 HB2 LYS 20 -1.708 1.048 -9.702 157 HB3 LYS 20 HB3 LYS 20 -0.349 1.182 -10.838 158 HG2 LYS 20 HG2 LYS 20 -0.627 -1.222 -11.431 159 HG3 LYS 20 HG3 LYS 20 -2.043 -1.306 -10.357 160 HD2 LYS 20 HD2 LYS 20 -3.154 0.462 -11.690 161 HD3 LYS 20 HD3 LYS 20 -1.733 0.553 -12.756 162 HE2 LYS 20 HE2 LYS 20 -2.054 -1.833 -13.364 163 HE3 LYS 20 HE3 LYS 20 -3.491 -1.897 -12.323 164 HZ1 LYS 20 HZ1 LYS 20 -4.064 -1.529 -14.608 165 HZ2 LYS 20 HZ2 LYS 20 -4.485 -0.215 -13.706 166 HZ3 LYS 20 HZ3 LYS 20 -3.149 -0.160 -14.668 167 H ALA 21 H ALA 21 -0.522 1.033 -6.791 168 HA ALA 21 HA ALA 21 1.003 3.481 -7.135 169 HB1 ALA 21 HB1 ALA 21 -0.324 2.281 -4.675 170 HB2 ALA 21 HB2 ALA 21 0.224 3.962 -4.874 171 HB3 ALA 21 HB3 ALA 21 -1.119 3.344 -5.861 172 H LEU 22 H LEU 22 1.387 0.414 -5.299 173 HA LEU 22 HA LEU 22 3.772 1.305 -3.933 174 HB2 LEU 22 HB2 LEU 22 2.416 -1.385 -4.373 175 HB3 LEU 22 HB3 LEU 22 3.969 -1.239 -3.540 176 HG LEU 22 HG LEU 22 2.242 -1.338 -1.892 177 HD11 LEU 22 HD11 LEU 22 4.191 0.249 -1.589 178 HD12 LEU 22 HD12 LEU 22 3.108 1.569 -2.073 179 HD13 LEU 22 HD13 LEU 22 2.750 0.629 -0.610 180 HD21 LEU 22 HD21 LEU 22 0.357 -0.538 -3.286 181 HD22 LEU 22 HD22 LEU 22 0.439 0.293 -1.717 182 HD23 LEU 22 HD23 LEU 22 1.001 1.121 -3.184 183 H LYS 23 H LYS 23 3.080 -0.410 -6.965 184 HA LYS 23 HA LYS 23 5.565 -1.633 -7.321 185 HB2 LYS 23 HB2 LYS 23 3.373 -1.963 -8.568 186 HB3 LYS 23 HB3 LYS 23 3.821 -0.555 -9.557 187 HG2 LYS 23 HG2 LYS 23 5.907 -1.704 -10.237 188 HG3 LYS 23 HG3 LYS 23 5.508 -3.071 -9.171 189 HD2 LYS 23 HD2 LYS 23 3.408 -3.433 -10.474 190 HD3 LYS 23 HD3 LYS 23 3.902 -2.131 -11.583 191 HE2 LYS 23 HE2 LYS 23 5.979 -3.389 -12.106 192 HE3 LYS 23 HE3 LYS 23 5.462 -4.686 -11.009 193 HZ1 LYS 23 HZ1 LYS 23 4.060 -3.811 -13.436 194 HZ2 LYS 23 HZ2 LYS 23 4.918 -5.206 -13.256 195 HZ3 LYS 23 HZ3 LYS 23 3.525 -4.979 -12.403 196 H LYS 24 H LYS 24 4.789 1.784 -7.612 197 HA LYS 24 HA LYS 24 6.957 2.332 -9.482 198 HB2 LYS 24 HB2 LYS 24 5.349 4.164 -7.656 199 HB3 LYS 24 HB3 LYS 24 6.436 4.689 -8.955 200 HG2 LYS 24 HG2 LYS 24 5.013 3.498 -10.613 201 HG3 LYS 24 HG3 LYS 24 3.898 3.038 -9.299 202 HD2 LYS 24 HD2 LYS 24 3.571 5.441 -8.756 203 HD3 LYS 24 HD3 LYS 24 4.664 5.882 -10.086 204 HE2 LYS 24 HE2 LYS 24 3.131 4.775 -11.694 205 HE3 LYS 24 HE3 LYS 24 2.028 4.381 -10.358 206 HZ1 LYS 24 HZ1 LYS 24 2.822 7.087 -11.185 207 HZ2 LYS 24 HZ2 LYS 24 1.372 6.372 -11.504 208 HZ3 LYS 24 HZ3 LYS 24 1.791 6.726 -9.950 209 H VAL 25 H VAL 25 6.724 1.837 -6.028 210 HA VAL 25 HA VAL 25 8.737 3.701 -5.240 211 HB VAL 25 HB VAL 25 7.594 1.195 -3.979 212 HG11 VAL 25 HG11 VAL 25 8.573 1.992 -1.858 213 HG12 VAL 25 HG12 VAL 25 9.836 1.622 -3.052 214 HG13 VAL 25 HG13 VAL 25 9.388 3.313 -2.729 215 HG21 VAL 25 HG21 VAL 25 7.166 4.101 -3.227 216 HG22 VAL 25 HG22 VAL 25 6.127 3.254 -4.413 217 HG23 VAL 25 HG23 VAL 25 6.218 2.692 -2.730 218 HA PRO 26 HA PRO 26 12.334 1.528 -6.727 219 HB2 PRO 26 HB2 PRO 26 13.607 3.196 -4.567 220 HB3 PRO 26 HB3 PRO 26 14.126 2.991 -6.273 221 HG2 PRO 26 HG2 PRO 26 12.860 5.257 -5.500 222 HG3 PRO 26 HG3 PRO 26 12.403 4.455 -7.043 223 HD2 PRO 26 HD2 PRO 26 11.009 4.287 -4.362 224 HD3 PRO 26 HD3 PRO 26 10.302 4.515 -5.994 225 H GLY 27 H GLY 27 13.322 -0.360 -6.045 226 HA2 GLY 27 HA2 GLY 27 14.364 -1.802 -4.541 227 HA3 GLY 27 HA3 GLY 27 13.756 -0.836 -3.183 228 H VAL 28 H VAL 28 10.952 -0.890 -4.406 229 HA VAL 28 HA VAL 28 10.070 -3.332 -3.115 230 HB VAL 28 HB VAL 28 8.660 -1.231 -4.805 231 HG11 VAL 28 HG11 VAL 28 7.486 -3.381 -5.038 232 HG12 VAL 28 HG12 VAL 28 7.491 -3.586 -3.269 233 HG13 VAL 28 HG13 VAL 28 6.556 -2.267 -4.012 234 HG21 VAL 28 HG21 VAL 28 8.637 -1.875 -1.823 235 HG22 VAL 28 HG22 VAL 28 9.474 -0.500 -2.579 236 HG23 VAL 28 HG23 VAL 28 7.697 -0.589 -2.614 237 H GLU 29 H GLU 29 9.822 -5.311 -3.990 238 HA GLU 29 HA GLU 29 9.824 -5.487 -6.966 239 HB2 GLU 29 HB2 GLU 29 12.003 -6.137 -5.996 240 HB3 GLU 29 HB3 GLU 29 11.186 -7.361 -4.997 241 HG2 GLU 29 HG2 GLU 29 10.355 -8.475 -7.048 242 HG3 GLU 29 HG3 GLU 29 11.154 -7.241 -8.043 243 H LYS 30 H LYS 30 8.490 -6.588 -3.874 244 HA LYS 30 HA LYS 30 6.485 -8.137 -5.448 245 HB2 LYS 30 HB2 LYS 30 7.727 -8.861 -2.766 246 HB3 LYS 30 HB3 LYS 30 6.405 -9.741 -3.559 247 HG2 LYS 30 HG2 LYS 30 7.867 -10.246 -5.478 248 HG3 LYS 30 HG3 LYS 30 9.193 -9.329 -4.726 249 HD2 LYS 30 HD2 LYS 30 9.187 -10.867 -2.799 250 HD3 LYS 30 HD3 LYS 30 7.846 -11.786 -3.524 251 HE2 LYS 30 HE2 LYS 30 9.248 -12.330 -5.471 252 HE3 LYS 30 HE3 LYS 30 10.579 -11.362 -4.804 253 HZ1 LYS 30 HZ1 LYS 30 10.676 -12.851 -2.957 254 HZ2 LYS 30 HZ2 LYS 30 9.421 -13.751 -3.543 255 HZ3 LYS 30 HZ3 LYS 30 10.848 -13.690 -4.365 256 H VAL 31 H VAL 31 4.364 -8.091 -4.655 257 HA VAL 31 HA VAL 31 3.764 -6.424 -2.303 258 HB VAL 31 HB VAL 31 2.704 -5.869 -5.107 259 HG11 VAL 31 HG11 VAL 31 0.986 -5.578 -3.334 260 HG12 VAL 31 HG12 VAL 31 2.083 -4.485 -2.467 261 HG13 VAL 31 HG13 VAL 31 1.459 -4.028 -4.068 262 HG21 VAL 31 HG21 VAL 31 3.758 -3.638 -4.782 263 HG22 VAL 31 HG22 VAL 31 4.459 -4.208 -3.251 264 HG23 VAL 31 HG23 VAL 31 4.957 -4.949 -4.790 265 H GLU 32 H GLU 32 1.754 -6.950 -1.386 266 HA GLU 32 HA GLU 32 -0.024 -8.803 -2.813 267 HB2 GLU 32 HB2 GLU 32 1.593 -10.239 -1.553 268 HB3 GLU 32 HB3 GLU 32 1.085 -9.435 -0.046 269 HG2 GLU 32 HG2 GLU 32 -1.251 -10.142 -0.466 270 HG3 GLU 32 HG3 GLU 32 -0.749 -10.918 -1.980 271 H VAL 33 H VAL 33 -2.130 -8.186 -2.427 272 HA VAL 33 HA VAL 33 -2.551 -6.340 -0.126 273 HB VAL 33 HB VAL 33 -3.959 -4.963 -1.629 274 HG11 VAL 33 HG11 VAL 33 -1.124 -5.397 -2.662 275 HG12 VAL 33 HG12 VAL 33 -2.116 -3.941 -2.902 276 HG13 VAL 33 HG13 VAL 33 -1.574 -4.386 -1.268 277 HG21 VAL 33 HG21 VAL 33 -2.852 -6.800 -3.800 278 HG22 VAL 33 HG22 VAL 33 -4.548 -6.724 -3.264 279 HG23 VAL 33 HG23 VAL 33 -3.806 -5.328 -4.074 280 H SER 34 H SER 34 -4.754 -6.075 0.540 281 HA SER 34 HA SER 34 -6.558 -8.312 -0.216 282 HB2 SER 34 HB2 SER 34 -5.529 -8.797 1.973 283 HB3 SER 34 HB3 SER 34 -6.058 -7.211 2.580 284 HG SER 34 HG SER 34 -7.476 -9.021 3.066 285 H LEU 35 H LEU 35 -7.984 -7.224 -1.464 286 HA LEU 35 HA LEU 35 -8.479 -4.450 -1.260 287 HB2 LEU 35 HB2 LEU 35 -10.195 -6.635 -2.501 288 HB3 LEU 35 HB3 LEU 35 -10.277 -4.904 -2.875 289 HG LEU 35 HG LEU 35 -7.849 -6.697 -3.323 290 HD11 LEU 35 HD11 LEU 35 -8.404 -6.432 -5.713 291 HD12 LEU 35 HD12 LEU 35 -9.738 -7.210 -4.832 292 HD13 LEU 35 HD13 LEU 35 -9.850 -5.492 -5.280 293 HD21 LEU 35 HD21 LEU 35 -6.991 -4.753 -4.607 294 HD22 LEU 35 HD22 LEU 35 -8.405 -3.801 -4.102 295 HD23 LEU 35 HD23 LEU 35 -7.220 -4.351 -2.892 296 H GLU 36 H GLU 36 -9.981 -7.179 0.433 297 HA GLU 36 HA GLU 36 -12.334 -5.581 1.131 298 HB2 GLU 36 HB2 GLU 36 -11.372 -8.334 2.002 299 HB3 GLU 36 HB3 GLU 36 -12.893 -7.574 2.524 300 HG2 GLU 36 HG2 GLU 36 -13.555 -7.336 0.122 301 HG3 GLU 36 HG3 GLU 36 -12.105 -8.255 -0.332 302 H LYS 37 H LYS 37 -9.194 -6.416 2.567 303 HA LYS 37 HA LYS 37 -10.128 -5.364 5.173 304 HB2 LYS 37 HB2 LYS 37 -7.582 -6.811 4.360 305 HB3 LYS 37 HB3 LYS 37 -7.992 -6.296 6.011 306 HG2 LYS 37 HG2 LYS 37 -10.022 -7.701 5.962 307 HG3 LYS 37 HG3 LYS 37 -9.628 -8.226 4.306 308 HD2 LYS 37 HD2 LYS 37 -7.506 -9.184 5.095 309 HD3 LYS 37 HD3 LYS 37 -7.847 -8.618 6.746 310 HE2 LYS 37 HE2 LYS 37 -9.887 -10.027 6.796 311 HE3 LYS 37 HE3 LYS 37 -9.517 -10.611 5.161 312 HZ1 LYS 37 HZ1 LYS 37 -8.756 -12.125 6.841 313 HZ2 LYS 37 HZ2 LYS 37 -7.471 -11.505 6.015 314 HZ3 LYS 37 HZ3 LYS 37 -7.817 -10.960 7.532 315 H GLY 38 H GLY 38 -8.487 -4.256 2.360 316 HA2 GLY 38 HA2 GLY 38 -7.520 -2.199 1.977 317 HA3 GLY 38 HA3 GLY 38 -7.946 -1.728 3.635 318 H GLU 39 H GLU 39 -6.054 -4.672 3.053 319 HA GLU 39 HA GLU 39 -3.764 -3.348 4.442 320 HB2 GLU 39 HB2 GLU 39 -4.456 -6.276 3.937 321 HB3 GLU 39 HB3 GLU 39 -3.031 -5.689 4.820 322 HG2 GLU 39 HG2 GLU 39 -4.529 -4.552 6.450 323 HG3 GLU 39 HG3 GLU 39 -5.939 -5.201 5.589 324 H ALA 40 H ALA 40 -1.638 -3.651 3.671 325 HA ALA 40 HA ALA 40 -1.293 -4.668 0.931 326 HB1 ALA 40 HB1 ALA 40 -1.899 -2.301 0.622 327 HB2 ALA 40 HB2 ALA 40 -0.639 -1.817 1.781 328 HB3 ALA 40 HB3 ALA 40 -0.183 -2.565 0.232 329 H LEU 41 H LEU 41 0.250 -6.115 1.264 330 HA LEU 41 HA LEU 41 2.473 -5.528 3.153 331 HB2 LEU 41 HB2 LEU 41 1.579 -8.075 1.717 332 HB3 LEU 41 HB3 LEU 41 2.985 -7.944 2.776 333 HG LEU 41 HG LEU 41 1.286 -8.931 4.074 334 HD11 LEU 41 HD11 LEU 41 2.558 -7.108 5.203 335 HD12 LEU 41 HD12 LEU 41 1.254 -5.969 4.782 336 HD13 LEU 41 HD13 LEU 41 0.927 -7.337 5.871 337 HD21 LEU 41 HD21 LEU 41 -0.956 -8.078 4.351 338 HD22 LEU 41 HD22 LEU 41 -0.600 -6.654 3.358 339 HD23 LEU 41 HD23 LEU 41 -0.634 -8.271 2.614 340 H VAL 42 H VAL 42 4.577 -5.329 2.371 341 HA VAL 42 HA VAL 42 4.987 -5.868 -0.512 342 HB VAL 42 HB VAL 42 6.234 -3.786 -0.776 343 HG11 VAL 42 HG11 VAL 42 4.376 -2.332 -0.998 344 HG12 VAL 42 HG12 VAL 42 3.712 -3.963 -1.162 345 HG13 VAL 42 HG13 VAL 42 3.511 -3.088 0.373 346 HG21 VAL 42 HG21 VAL 42 5.255 -3.091 2.025 347 HG22 VAL 42 HG22 VAL 42 6.934 -3.487 1.587 348 HG23 VAL 42 HG23 VAL 42 6.168 -2.026 0.929 349 H GLU 43 H GLU 43 7.306 -6.054 -1.065 350 HA GLU 43 HA GLU 43 9.077 -6.434 1.271 351 HB2 GLU 43 HB2 GLU 43 8.119 -8.661 0.657 352 HB3 GLU 43 HB3 GLU 43 8.825 -8.478 -0.967 353 HG2 GLU 43 HG2 GLU 43 11.073 -8.246 0.043 354 HG3 GLU 43 HG3 GLU 43 10.368 -8.387 1.663 355 H GLY 44 H GLY 44 10.429 -4.751 0.865 356 HA2 GLY 44 HA2 GLY 44 12.005 -4.832 -1.593 357 HA3 GLY 44 HA3 GLY 44 10.951 -3.411 -1.422 358 H THR 45 H THR 45 13.342 -2.587 -1.559 359 HA THR 45 HA THR 45 14.426 -2.352 1.208 360 HB THR 45 HB THR 45 16.570 -1.836 0.052 361 HG1 THR 45 HG1 THR 45 16.592 -2.318 -2.219 362 HG21 THR 45 HG21 THR 45 15.246 -4.431 -0.853 363 HG22 THR 45 HG22 THR 45 16.995 -4.124 -0.759 364 HG23 THR 45 HG23 THR 45 16.018 -4.159 0.727 365 H ALA 46 H ALA 46 12.179 -0.808 -0.111 366 HA ALA 46 HA ALA 46 13.254 1.788 -0.753 367 HB1 ALA 46 HB1 ALA 46 10.414 1.266 0.124 368 HB2 ALA 46 HB2 ALA 46 11.024 2.405 -1.081 369 HB3 ALA 46 HB3 ALA 46 11.006 0.664 -1.455 370 H ASP 47 H ASP 47 12.493 3.782 0.498 371 HA ASP 47 HA ASP 47 13.204 3.521 3.293 372 HB2 ASP 47 HB2 ASP 47 13.708 5.463 1.700 373 HB3 ASP 47 HB3 ASP 47 12.007 5.933 1.885 374 HA PRO 48 HA PRO 48 9.180 2.776 4.942 375 HB2 PRO 48 HB2 PRO 48 10.027 4.762 7.048 376 HB3 PRO 48 HB3 PRO 48 9.286 3.142 7.272 377 HG2 PRO 48 HG2 PRO 48 11.945 3.469 7.645 378 HG3 PRO 48 HG3 PRO 48 11.343 2.052 6.718 379 HD2 PRO 48 HD2 PRO 48 12.485 4.642 5.653 380 HD3 PRO 48 HD3 PRO 48 12.805 2.961 5.119 381 H LYS 49 H LYS 49 10.377 6.173 4.815 382 HA LYS 49 HA LYS 49 7.714 7.308 4.942 383 HB2 LYS 49 HB2 LYS 49 10.376 8.464 4.018 384 HB3 LYS 49 HB3 LYS 49 8.899 9.401 4.326 385 HG2 LYS 49 HG2 LYS 49 8.913 8.725 6.674 386 HG3 LYS 49 HG3 LYS 49 10.342 7.699 6.408 387 HD2 LYS 49 HD2 LYS 49 10.713 10.456 5.431 388 HD3 LYS 49 HD3 LYS 49 10.374 10.381 7.176 389 HE2 LYS 49 HE2 LYS 49 12.174 8.779 7.521 390 HE3 LYS 49 HE3 LYS 49 12.473 8.688 5.775 391 HZ1 LYS 49 HZ1 LYS 49 13.058 11.005 5.819 392 HZ2 LYS 49 HZ2 LYS 49 12.821 11.076 7.448 393 HZ3 LYS 49 HZ3 LYS 49 14.026 10.133 6.828 394 H ALA 50 H ALA 50 9.977 6.314 2.358 395 HA ALA 50 HA ALA 50 8.617 7.656 0.245 396 HB1 ALA 50 HB1 ALA 50 10.927 6.809 0.066 397 HB2 ALA 50 HB2 ALA 50 10.329 5.137 0.200 398 HB3 ALA 50 HB3 ALA 50 9.897 6.129 -1.213 399 H LEU 51 H LEU 51 8.149 4.490 1.824 400 HA LEU 51 HA LEU 51 6.374 3.476 -0.181 401 HB2 LEU 51 HB2 LEU 51 7.673 2.220 1.683 402 HB3 LEU 51 HB3 LEU 51 6.343 2.718 2.753 403 HG LEU 51 HG LEU 51 4.765 1.705 0.976 404 HD11 LEU 51 HD11 LEU 51 5.837 -0.083 -0.422 405 HD12 LEU 51 HD12 LEU 51 6.388 1.546 -0.875 406 HD13 LEU 51 HD13 LEU 51 7.432 0.493 0.108 407 HD21 LEU 51 HD21 LEU 51 5.393 0.663 3.181 408 HD22 LEU 51 HD22 LEU 51 4.997 -0.517 1.908 409 HD23 LEU 51 HD23 LEU 51 6.697 -0.205 2.339 410 H VAL 52 H VAL 52 5.815 5.006 3.045 411 HA VAL 52 HA VAL 52 2.962 4.952 2.797 412 HB VAL 52 HB VAL 52 4.799 6.664 4.522 413 HG11 VAL 52 HG11 VAL 52 2.516 7.595 4.415 414 HG12 VAL 52 HG12 VAL 52 1.837 5.991 4.784 415 HG13 VAL 52 HG13 VAL 52 2.811 6.850 6.000 416 HG21 VAL 52 HG21 VAL 52 4.320 4.951 6.245 417 HG22 VAL 52 HG22 VAL 52 3.365 4.028 5.061 418 HG23 VAL 52 HG23 VAL 52 5.119 4.226 4.833 419 H GLN 53 H GLN 53 5.457 7.098 1.546 420 HA GLN 53 HA GLN 53 3.601 9.306 1.104 421 HB2 GLN 53 HB2 GLN 53 6.021 9.654 1.533 422 HB3 GLN 53 HB3 GLN 53 6.404 8.779 0.032 423 HG2 GLN 53 HG2 GLN 53 5.124 10.464 -1.262 424 HG3 GLN 53 HG3 GLN 53 4.741 11.325 0.243 425 HE21 GLN 53 HE21 GLN 53 8.410 11.715 -1.572 426 HE22 GLN 53 HE22 GLN 53 7.218 10.568 -2.144 427 H ALA 54 H ALA 54 4.900 6.514 -0.682 428 HA ALA 54 HA ALA 54 4.176 7.344 -3.283 429 HB1 ALA 54 HB1 ALA 54 4.292 4.944 -3.823 430 HB2 ALA 54 HB2 ALA 54 5.646 5.438 -2.782 431 HB3 ALA 54 HB3 ALA 54 4.273 4.546 -2.087 432 H VAL 55 H VAL 55 2.298 5.549 -0.764 433 HA VAL 55 HA VAL 55 -0.013 5.349 -2.512 434 HB VAL 55 HB VAL 55 -1.157 4.599 -0.416 435 HG11 VAL 55 HG11 VAL 55 0.164 2.554 -0.100 436 HG12 VAL 55 HG12 VAL 55 0.098 2.994 -1.821 437 HG13 VAL 55 HG13 VAL 55 1.569 3.322 -0.871 438 HG21 VAL 55 HG21 VAL 55 0.161 4.323 1.643 439 HG22 VAL 55 HG22 VAL 55 1.563 5.092 0.869 440 HG23 VAL 55 HG23 VAL 55 0.087 6.037 1.181 441 H GLU 56 H GLU 56 1.303 7.727 -0.303 442 HA GLU 56 HA GLU 56 -1.125 9.189 0.157 443 HB2 GLU 56 HB2 GLU 56 0.884 9.327 1.589 444 HB3 GLU 56 HB3 GLU 56 1.802 10.030 0.244 445 HG2 GLU 56 HG2 GLU 56 0.316 11.985 0.223 446 HG3 GLU 56 HG3 GLU 56 -0.668 11.269 1.516 447 H GLU 57 H GLU 57 1.077 8.841 -2.511 448 HA GLU 57 HA GLU 57 0.593 11.336 -3.822 449 HB2 GLU 57 HB2 GLU 57 2.464 9.716 -4.294 450 HB3 GLU 57 HB3 GLU 57 1.268 8.608 -4.995 451 HG2 GLU 57 HG2 GLU 57 0.663 10.301 -6.680 452 HG3 GLU 57 HG3 GLU 57 1.854 11.424 -5.990 453 H GLU 58 H GLU 58 -1.226 8.367 -3.416 454 HA GLU 58 HA GLU 58 -3.090 9.024 -5.605 455 HB2 GLU 58 HB2 GLU 58 -3.009 6.785 -3.540 456 HB3 GLU 58 HB3 GLU 58 -4.189 6.911 -4.859 457 HG2 GLU 58 HG2 GLU 58 -1.174 6.741 -5.250 458 HG3 GLU 58 HG3 GLU 58 -2.289 5.369 -5.372 459 H GLY 59 H GLY 59 -2.617 9.705 -2.258 460 HA2 GLY 59 HA2 GLY 59 -3.933 11.297 -1.100 461 HA3 GLY 59 HA3 GLY 59 -5.313 10.934 -2.155 462 H TYR 60 H TYR 60 -3.693 8.114 -1.116 463 HA TYR 60 HA TYR 60 -5.651 7.633 1.110 464 HB2 TYR 60 HB2 TYR 60 -4.927 5.830 -1.201 465 HB3 TYR 60 HB3 TYR 60 -5.987 5.430 0.163 466 HD1 TYR 60 HD1 TYR 60 -6.081 6.297 -3.169 467 HD2 TYR 60 HD2 TYR 60 -7.767 7.541 0.585 468 HE1 TYR 60 HE1 TYR 60 -8.015 7.278 -4.367 469 HE2 TYR 60 HE2 TYR 60 -9.698 8.537 -0.602 470 HH TYR 60 HH TYR 60 -10.684 8.931 -2.628 471 H LYS 61 H LYS 61 -3.964 8.068 2.585 472 HA LYS 61 HA LYS 61 -1.343 6.999 2.418 473 HB2 LYS 61 HB2 LYS 61 -2.908 7.868 4.880 474 HB3 LYS 61 HB3 LYS 61 -1.137 7.796 4.706 475 HG2 LYS 61 HG2 LYS 61 -1.281 9.459 2.849 476 HG3 LYS 61 HG3 LYS 61 -3.038 9.554 3.091 477 HD2 LYS 61 HD2 LYS 61 -2.634 10.304 5.446 478 HD3 LYS 61 HD3 LYS 61 -0.886 10.330 5.096 479 HE2 LYS 61 HE2 LYS 61 -1.346 11.912 3.193 480 HE3 LYS 61 HE3 LYS 61 -3.056 11.909 3.659 481 HZ1 LYS 61 HZ1 LYS 61 -0.782 12.999 5.123 482 HZ2 LYS 61 HZ2 LYS 61 -2.153 13.752 4.644 483 HZ3 LYS 61 HZ3 LYS 61 -2.223 12.667 5.884 484 H ALA 62 H ALA 62 -0.562 5.616 4.532 485 HA ALA 62 HA ALA 62 -2.471 3.488 5.115 486 HB1 ALA 62 HB1 ALA 62 -1.605 2.811 2.907 487 HB2 ALA 62 HB2 ALA 62 0.059 2.909 3.533 488 HB3 ALA 62 HB3 ALA 62 -1.075 1.702 4.192 489 H GLU 63 H GLU 63 -2.230 3.685 7.283 490 HA GLU 63 HA GLU 63 0.281 4.149 8.592 491 HB2 GLU 63 HB2 GLU 63 -1.978 4.734 9.500 492 HB3 GLU 63 HB3 GLU 63 -2.313 2.998 9.698 493 HG2 GLU 63 HG2 GLU 63 -0.300 2.817 11.168 494 HG3 GLU 63 HG3 GLU 63 -0.047 4.566 11.003 495 H VAL 64 H VAL 64 1.923 2.693 8.880 496 HA VAL 64 HA VAL 64 1.706 -0.064 8.321 497 HB VAL 64 HB VAL 64 3.891 -0.212 9.490 498 HG11 VAL 64 HG11 VAL 64 3.771 0.558 7.158 499 HG12 VAL 64 HG12 VAL 64 3.548 2.236 7.709 500 HG13 VAL 64 HG13 VAL 64 5.078 1.392 8.032 501 HG21 VAL 64 HG21 VAL 64 4.864 2.032 10.271 502 HG22 VAL 64 HG22 VAL 64 3.203 2.635 10.306 503 HG23 VAL 64 HG23 VAL 64 3.665 1.276 11.358 504 H LEU 65 H LEU 65 0.943 -1.745 9.488 505 HA LEU 65 HA LEU 65 -0.214 -1.241 12.129 506 HB2 LEU 65 HB2 LEU 65 -0.070 -3.733 10.387 507 HB3 LEU 65 HB3 LEU 65 -0.984 -3.597 11.903 508 HG LEU 65 HG LEU 65 -1.435 -1.896 9.407 509 HD11 LEU 65 HD11 LEU 65 -3.078 -4.125 10.677 510 HD12 LEU 65 HD12 LEU 65 -3.524 -3.187 9.232 511 HD13 LEU 65 HD13 LEU 65 -2.120 -4.276 9.186 512 HD21 LEU 65 HD21 LEU 65 -2.287 -1.655 12.220 513 HD22 LEU 65 HD22 LEU 65 -2.400 -0.487 10.901 514 HD23 LEU 65 HD23 LEU 65 -3.663 -1.725 11.080 515 H ALA 66 H ALA 66 2.665 -0.938 11.928 516 HA ALA 66 HA ALA 66 3.525 -3.183 13.679 517 HB1 ALA 66 HB1 ALA 66 4.550 -3.411 11.444 518 HB2 ALA 66 HB2 ALA 66 5.164 -1.744 11.552 519 HB3 ALA 66 HB3 ALA 66 5.768 -2.988 12.672 Start of MODEL 4 1 H1 MET 1 H MET 1 10.613 -3.992 9.608 2 HA MET 1 HA MET 1 9.629 -3.838 7.376 3 HB2 MET 1 HB2 MET 1 9.658 -6.024 8.590 4 HB3 MET 1 HB3 MET 1 8.019 -5.681 9.182 5 HG2 MET 1 HG2 MET 1 7.210 -5.540 6.855 6 HG3 MET 1 HG3 MET 1 8.853 -5.814 6.258 7 HE1 MET 1 HE1 MET 1 6.359 -7.427 5.246 8 HE2 MET 1 HE2 MET 1 8.021 -7.720 4.681 9 HE3 MET 1 HE3 MET 1 7.009 -9.083 5.213 10 H LEU 2 H LEU 2 7.801 -3.388 6.068 11 HA LEU 2 HA LEU 2 5.944 -1.515 7.363 12 HB2 LEU 2 HB2 LEU 2 6.392 -2.269 4.448 13 HB3 LEU 2 HB3 LEU 2 5.373 -0.931 5.027 14 HG LEU 2 HG LEU 2 8.363 -1.218 5.580 15 HD11 LEU 2 HD11 LEU 2 6.893 0.625 3.658 16 HD12 LEU 2 HD12 LEU 2 8.641 0.628 3.986 17 HD13 LEU 2 HD13 LEU 2 7.892 -0.776 3.193 18 HD21 LEU 2 HD21 LEU 2 7.131 0.056 7.315 19 HD22 LEU 2 HD22 LEU 2 8.180 1.113 6.354 20 HD23 LEU 2 HD23 LEU 2 6.430 1.091 6.044 21 H LYS 3 H LYS 3 3.664 -1.645 7.104 22 HA LYS 3 HA LYS 3 2.427 -4.150 6.280 23 HB2 LYS 3 HB2 LYS 3 3.524 -4.538 8.549 24 HB3 LYS 3 HB3 LYS 3 2.403 -3.345 9.227 25 HG2 LYS 3 HG2 LYS 3 0.493 -4.746 8.606 26 HG3 LYS 3 HG3 LYS 3 1.565 -5.851 7.705 27 HD2 LYS 3 HD2 LYS 3 2.820 -6.308 9.814 28 HD3 LYS 3 HD3 LYS 3 1.644 -5.314 10.703 29 HE2 LYS 3 HE2 LYS 3 -0.170 -6.831 10.005 30 HE3 LYS 3 HE3 LYS 3 0.982 -7.791 9.055 31 HZ1 LYS 3 HZ1 LYS 3 2.144 -8.295 11.075 32 HZ2 LYS 3 HZ2 LYS 3 1.082 -7.403 11.964 33 HZ3 LYS 3 HZ3 LYS 3 0.567 -8.765 11.191 34 H LEU 4 H LEU 4 1.326 -2.538 4.925 35 HA LEU 4 HA LEU 4 0.306 -0.117 6.193 36 HB2 LEU 4 HB2 LEU 4 0.659 -1.250 3.432 37 HB3 LEU 4 HB3 LEU 4 -0.573 0.004 3.666 38 HG LEU 4 HG LEU 4 1.119 1.466 4.742 39 HD11 LEU 4 HD11 LEU 4 3.515 0.904 4.490 40 HD12 LEU 4 HD12 LEU 4 2.679 -0.251 5.549 41 HD13 LEU 4 HD13 LEU 4 3.065 -0.703 3.871 42 HD21 LEU 4 HD21 LEU 4 0.620 1.639 2.319 43 HD22 LEU 4 HD22 LEU 4 2.319 2.034 2.664 44 HD23 LEU 4 HD23 LEU 4 1.895 0.448 1.977 45 H LYS 5 H LYS 5 -1.671 0.213 6.947 46 HA LYS 5 HA LYS 5 -3.822 -1.729 6.307 47 HB2 LYS 5 HB2 LYS 5 -3.267 -1.251 8.718 48 HB3 LYS 5 HB3 LYS 5 -3.714 0.445 8.431 49 HG2 LYS 5 HG2 LYS 5 -5.964 -0.453 7.566 50 HG3 LYS 5 HG3 LYS 5 -5.494 -2.018 8.266 51 HD2 LYS 5 HD2 LYS 5 -5.238 -0.910 10.487 52 HD3 LYS 5 HD3 LYS 5 -5.716 0.640 9.752 53 HE2 LYS 5 HE2 LYS 5 -7.857 -0.399 9.039 54 HE3 LYS 5 HE3 LYS 5 -7.424 -1.892 9.892 55 HZ1 LYS 5 HZ1 LYS 5 -8.836 -0.052 10.998 56 HZ2 LYS 5 HZ2 LYS 5 -7.697 -0.862 11.897 57 HZ3 LYS 5 HZ3 LYS 5 -7.395 0.649 11.308 58 H VAL 6 H VAL 6 -4.566 -1.048 4.322 59 HA VAL 6 HA VAL 6 -4.674 1.672 3.509 60 HB VAL 6 HB VAL 6 -6.194 -0.739 2.428 61 HG11 VAL 6 HG11 VAL 6 -5.251 1.832 1.087 62 HG12 VAL 6 HG12 VAL 6 -6.111 0.492 0.297 63 HG13 VAL 6 HG13 VAL 6 -6.934 1.466 1.536 64 HG21 VAL 6 HG21 VAL 6 -3.783 -1.223 2.604 65 HG22 VAL 6 HG22 VAL 6 -4.248 -0.989 0.905 66 HG23 VAL 6 HG23 VAL 6 -3.407 0.310 1.782 67 H GLU 7 H GLU 7 -5.919 3.150 4.510 68 HA GLU 7 HA GLU 7 -8.589 2.533 5.517 69 HB2 GLU 7 HB2 GLU 7 -7.071 4.182 6.604 70 HB3 GLU 7 HB3 GLU 7 -7.116 5.178 5.136 71 HG2 GLU 7 HG2 GLU 7 -8.686 6.001 6.864 72 HG3 GLU 7 HG3 GLU 7 -9.537 5.494 5.395 73 H GLY 8 H GLY 8 -10.554 3.335 4.603 74 HA2 GLY 8 HA2 GLY 8 -10.404 3.723 1.675 75 HA3 GLY 8 HA3 GLY 8 -11.838 3.283 2.624 76 H MET 9 H MET 9 -9.474 6.006 2.260 77 HA MET 9 HA MET 9 -11.304 7.953 3.350 78 HB2 MET 9 HB2 MET 9 -8.764 8.166 1.706 79 HB3 MET 9 HB3 MET 9 -9.624 9.576 2.357 80 HG2 MET 9 HG2 MET 9 -9.039 7.371 4.284 81 HG3 MET 9 HG3 MET 9 -7.647 8.272 3.672 82 HE1 MET 9 HE1 MET 9 -7.058 8.909 6.165 83 HE2 MET 9 HE2 MET 9 -8.188 9.728 7.267 84 HE3 MET 9 HE3 MET 9 -8.516 8.062 6.738 85 H THR 10 H THR 10 -10.565 6.760 0.048 86 HA THR 10 HA THR 10 -12.894 8.350 -0.889 87 HB THR 10 HB THR 10 -11.628 8.876 -2.970 88 HG1 THR 10 HG1 THR 10 -10.021 7.416 -3.039 89 HG21 THR 10 HG21 THR 10 -11.750 10.508 -1.103 90 HG22 THR 10 HG22 THR 10 -10.260 9.817 -0.414 91 HG23 THR 10 HG23 THR 10 -10.216 10.632 -1.994 92 H CYS 11 H CYS 11 -13.759 7.544 -2.965 93 HA CYS 11 HA CYS 11 -14.779 5.809 -4.038 94 HB2 CYS 11 HB2 CYS 11 -11.863 4.973 -4.302 95 HB3 CYS 11 HB3 CYS 11 -13.213 4.391 -5.308 96 HG CYS 11 HG CYS 11 -12.282 6.050 -6.860 97 H ASN 12 H ASN 12 -14.638 5.494 -1.157 98 HA ASN 12 HA ASN 12 -13.816 2.874 -0.417 99 HB2 ASN 12 HB2 ASN 12 -15.119 3.366 1.625 100 HB3 ASN 12 HB3 ASN 12 -14.095 4.737 1.156 101 HD21 ASN 12 HD21 ASN 12 -18.177 5.094 1.257 102 HD22 ASN 12 HD22 ASN 12 -17.349 3.615 1.692 103 H HIS 13 H HIS 13 -16.553 3.937 -2.254 104 HA HIS 13 HA HIS 13 -18.252 1.698 -1.410 105 HB2 HIS 13 HB2 HIS 13 -18.521 3.693 -3.688 106 HB3 HIS 13 HB3 HIS 13 -19.772 2.567 -3.139 107 HD1 HIS 13 HD1 HIS 13 -19.452 6.009 -2.933 108 HD2 HIS 13 HD2 HIS 13 -19.671 2.983 -0.012 109 HE1 HIS 13 HE1 HIS 13 -20.263 7.122 -0.778 110 H CYS 14 H CYS 14 -15.556 2.108 -3.411 111 HA CYS 14 HA CYS 14 -16.269 -0.320 -4.967 112 HB2 CYS 14 HB2 CYS 14 -14.802 2.152 -5.976 113 HB3 CYS 14 HB3 CYS 14 -15.046 0.645 -6.890 114 HG CYS 14 HG CYS 14 -16.680 2.458 -7.777 115 H VAL 15 H VAL 15 -13.952 -0.919 -6.146 116 HA VAL 15 HA VAL 15 -11.793 -0.680 -4.146 117 HB VAL 15 HB VAL 15 -13.052 -2.748 -3.622 118 HG11 VAL 15 HG11 VAL 15 -13.061 -4.611 -5.242 119 HG12 VAL 15 HG12 VAL 15 -13.940 -3.207 -5.885 120 HG13 VAL 15 HG13 VAL 15 -12.293 -3.566 -6.460 121 HG21 VAL 15 HG21 VAL 15 -10.386 -3.390 -4.938 122 HG22 VAL 15 HG22 VAL 15 -10.551 -2.585 -3.352 123 HG23 VAL 15 HG23 VAL 15 -11.159 -4.239 -3.587 124 H MET 16 H MET 16 -9.677 -1.138 -5.085 125 HA MET 16 HA MET 16 -9.588 -1.367 -8.027 126 HB2 MET 16 HB2 MET 16 -8.288 0.898 -6.457 127 HB3 MET 16 HB3 MET 16 -8.122 0.600 -8.199 128 HG2 MET 16 HG2 MET 16 -10.565 0.928 -8.470 129 HG3 MET 16 HG3 MET 16 -10.707 1.250 -6.735 130 HE1 MET 16 HE1 MET 16 -11.694 4.196 -7.097 131 HE2 MET 16 HE2 MET 16 -11.491 4.389 -8.847 132 HE3 MET 16 HE3 MET 16 -12.090 2.845 -8.197 133 H ALA 17 H ALA 17 -7.320 -1.760 -8.763 134 HA ALA 17 HA ALA 17 -5.952 -3.584 -6.994 135 HB1 ALA 17 HB1 ALA 17 -5.941 -3.861 -9.443 136 HB2 ALA 17 HB2 ALA 17 -5.107 -2.299 -9.626 137 HB3 ALA 17 HB3 ALA 17 -4.285 -3.659 -8.825 138 H VAL 18 H VAL 18 -5.321 -2.485 -5.106 139 HA VAL 18 HA VAL 18 -4.093 0.094 -5.127 140 HB VAL 18 HB VAL 18 -3.909 -2.137 -3.068 141 HG11 VAL 18 HG11 VAL 18 -3.573 0.884 -2.815 142 HG12 VAL 18 HG12 VAL 18 -3.596 -0.266 -1.458 143 HG13 VAL 18 HG13 VAL 18 -2.284 -0.333 -2.651 144 HG21 VAL 18 HG21 VAL 18 -6.265 -1.342 -3.816 145 HG22 VAL 18 HG22 VAL 18 -5.892 -1.300 -2.069 146 HG23 VAL 18 HG23 VAL 18 -5.848 0.187 -3.042 147 H THR 19 H THR 19 -2.960 -3.024 -6.027 148 HA THR 19 HA THR 19 -0.296 -3.027 -5.264 149 HB THR 19 HB THR 19 -1.484 -3.930 -7.915 150 HG1 THR 19 HG1 THR 19 -1.683 -5.914 -6.736 151 HG21 THR 19 HG21 THR 19 0.928 -4.960 -6.367 152 HG22 THR 19 HG22 THR 19 0.339 -5.552 -7.933 153 HG23 THR 19 HG23 THR 19 1.020 -3.915 -7.810 154 H LYS 20 H LYS 20 -1.854 -1.244 -7.962 155 HA LYS 20 HA LYS 20 0.562 -0.508 -9.263 156 HB2 LYS 20 HB2 LYS 20 -2.159 0.852 -9.188 157 HB3 LYS 20 HB3 LYS 20 -0.854 1.234 -10.331 158 HG2 LYS 20 HG2 LYS 20 -0.893 -1.096 -11.164 159 HG3 LYS 20 HG3 LYS 20 -2.217 -1.478 -10.038 160 HD2 LYS 20 HD2 LYS 20 -3.651 0.202 -11.123 161 HD3 LYS 20 HD3 LYS 20 -2.318 0.662 -12.208 162 HE2 LYS 20 HE2 LYS 20 -2.268 -1.633 -13.124 163 HE3 LYS 20 HE3 LYS 20 -3.603 -2.096 -12.050 164 HZ1 LYS 20 HZ1 LYS 20 -4.344 -1.532 -14.263 165 HZ2 LYS 20 HZ2 LYS 20 -4.976 -0.496 -13.146 166 HZ3 LYS 20 HZ3 LYS 20 -3.732 -0.009 -14.114 167 H ALA 21 H ALA 21 -0.987 0.753 -6.355 168 HA ALA 21 HA ALA 21 0.376 3.310 -6.496 169 HB1 ALA 21 HB1 ALA 21 -1.043 1.897 -4.200 170 HB2 ALA 21 HB2 ALA 21 -0.538 3.602 -4.223 171 HB3 ALA 21 HB3 ALA 21 -1.790 3.033 -5.349 172 H LEU 22 H LEU 22 1.197 0.091 -5.377 173 HA LEU 22 HA LEU 22 3.295 1.108 -3.559 174 HB2 LEU 22 HB2 LEU 22 2.251 -1.653 -4.303 175 HB3 LEU 22 HB3 LEU 22 3.727 -1.412 -3.361 176 HG LEU 22 HG LEU 22 1.968 -1.837 -1.826 177 HD11 LEU 22 HD11 LEU 22 3.632 -0.016 -1.282 178 HD12 LEU 22 HD12 LEU 22 2.402 1.169 -1.762 179 HD13 LEU 22 HD13 LEU 22 2.094 0.083 -0.389 180 HD21 LEU 22 HD21 LEU 22 0.439 0.501 -3.029 181 HD22 LEU 22 HD22 LEU 22 0.060 -1.224 -3.272 182 HD23 LEU 22 HD23 LEU 22 -0.061 -0.503 -1.653 183 H LYS 23 H LYS 23 2.904 -0.363 -6.769 184 HA LYS 23 HA LYS 23 5.481 -1.415 -7.007 185 HB2 LYS 23 HB2 LYS 23 3.412 -1.913 -8.356 186 HB3 LYS 23 HB3 LYS 23 3.729 -0.428 -9.278 187 HG2 LYS 23 HG2 LYS 23 5.950 -1.318 -9.929 188 HG3 LYS 23 HG3 LYS 23 5.646 -2.788 -8.972 189 HD2 LYS 23 HD2 LYS 23 3.706 -3.326 -10.389 190 HD3 LYS 23 HD3 LYS 23 3.948 -1.826 -11.315 191 HE2 LYS 23 HE2 LYS 23 6.175 -2.607 -12.006 192 HE3 LYS 23 HE3 LYS 23 5.952 -4.122 -11.107 193 HZ1 LYS 23 HZ1 LYS 23 5.388 -3.918 -13.623 194 HZ2 LYS 23 HZ2 LYS 23 4.442 -4.849 -12.624 195 HZ3 LYS 23 HZ3 LYS 23 3.966 -3.336 -13.074 196 H LYS 24 H LYS 24 4.516 1.998 -7.542 197 HA LYS 24 HA LYS 24 6.861 2.423 -9.227 198 HB2 LYS 24 HB2 LYS 24 4.915 4.396 -7.975 199 HB3 LYS 24 HB3 LYS 24 6.204 4.805 -9.119 200 HG2 LYS 24 HG2 LYS 24 5.202 3.287 -10.798 201 HG3 LYS 24 HG3 LYS 24 3.877 2.915 -9.667 202 HD2 LYS 24 HD2 LYS 24 3.217 5.285 -9.629 203 HD3 LYS 24 HD3 LYS 24 4.592 5.702 -10.678 204 HE2 LYS 24 HE2 LYS 24 3.676 4.242 -12.456 205 HE3 LYS 24 HE3 LYS 24 2.285 3.857 -11.421 206 HZ1 LYS 24 HZ1 LYS 24 3.012 6.547 -12.358 207 HZ2 LYS 24 HZ2 LYS 24 1.814 5.610 -12.991 208 HZ3 LYS 24 HZ3 LYS 24 1.697 6.163 -11.444 209 H VAL 25 H VAL 25 6.421 2.124 -5.836 210 HA VAL 25 HA VAL 25 8.343 4.130 -5.046 211 HB VAL 25 HB VAL 25 7.176 1.679 -3.683 212 HG11 VAL 25 HG11 VAL 25 8.162 2.583 -1.596 213 HG12 VAL 25 HG12 VAL 25 9.418 2.113 -2.760 214 HG13 VAL 25 HG13 VAL 25 9.006 3.830 -2.540 215 HG21 VAL 25 HG21 VAL 25 5.964 3.406 -2.381 216 HG22 VAL 25 HG22 VAL 25 6.773 4.681 -3.321 217 HG23 VAL 25 HG23 VAL 25 5.635 3.569 -4.116 218 HA PRO 26 HA PRO 26 11.998 2.080 -6.455 219 HB2 PRO 26 HB2 PRO 26 13.137 3.517 -4.059 220 HB3 PRO 26 HB3 PRO 26 13.794 3.432 -5.728 221 HG2 PRO 26 HG2 PRO 26 12.487 5.652 -4.903 222 HG3 PRO 26 HG3 PRO 26 12.134 4.961 -6.525 223 HD2 PRO 26 HD2 PRO 26 10.549 4.656 -3.969 224 HD3 PRO 26 HD3 PRO 26 9.965 4.958 -5.637 225 H GLY 27 H GLY 27 13.059 0.176 -5.970 226 HA2 GLY 27 HA2 GLY 27 14.121 -1.377 -4.600 227 HA3 GLY 27 HA3 GLY 27 13.367 -0.648 -3.172 228 H VAL 28 H VAL 28 10.666 -0.768 -4.727 229 HA VAL 28 HA VAL 28 9.805 -3.249 -3.574 230 HB VAL 28 HB VAL 28 8.515 -1.286 -5.506 231 HG11 VAL 28 HG11 VAL 28 7.497 -3.505 -5.806 232 HG12 VAL 28 HG12 VAL 28 7.286 -3.659 -4.045 233 HG13 VAL 28 HG13 VAL 28 6.383 -2.420 -4.946 234 HG21 VAL 28 HG21 VAL 28 8.151 -1.830 -2.526 235 HG22 VAL 28 HG22 VAL 28 8.987 -0.427 -3.234 236 HG23 VAL 28 HG23 VAL 28 7.239 -0.638 -3.481 237 H GLU 29 H GLU 29 9.754 -5.271 -4.413 238 HA GLU 29 HA GLU 29 10.212 -5.543 -7.352 239 HB2 GLU 29 HB2 GLU 29 12.166 -6.280 -6.036 240 HB3 GLU 29 HB3 GLU 29 11.118 -7.342 -5.068 241 HG2 GLU 29 HG2 GLU 29 10.463 -8.538 -7.169 242 HG3 GLU 29 HG3 GLU 29 11.622 -7.540 -8.065 243 H LYS 30 H LYS 30 8.583 -6.764 -4.409 244 HA LYS 30 HA LYS 30 6.482 -7.893 -6.175 245 HB2 LYS 30 HB2 LYS 30 7.676 -9.239 -3.722 246 HB3 LYS 30 HB3 LYS 30 6.248 -9.795 -4.611 247 HG2 LYS 30 HG2 LYS 30 7.625 -10.048 -6.660 248 HG3 LYS 30 HG3 LYS 30 9.063 -9.526 -5.747 249 HD2 LYS 30 HD2 LYS 30 8.781 -11.426 -4.196 250 HD3 LYS 30 HD3 LYS 30 7.325 -11.941 -5.079 251 HE2 LYS 30 HE2 LYS 30 8.669 -12.251 -7.126 252 HE3 LYS 30 HE3 LYS 30 10.126 -11.722 -6.259 253 HZ1 LYS 30 HZ1 LYS 30 8.499 -14.068 -5.566 254 HZ2 LYS 30 HZ2 LYS 30 9.938 -14.108 -6.369 255 HZ3 LYS 30 HZ3 LYS 30 9.879 -13.591 -4.807 256 H VAL 31 H VAL 31 4.381 -8.016 -5.147 257 HA VAL 31 HA VAL 31 4.108 -6.367 -2.699 258 HB VAL 31 HB VAL 31 2.567 -6.012 -5.304 259 HG11 VAL 31 HG11 VAL 31 2.294 -4.631 -2.601 260 HG12 VAL 31 HG12 VAL 31 1.458 -4.142 -4.094 261 HG13 VAL 31 HG13 VAL 31 1.106 -5.720 -3.359 262 HG21 VAL 31 HG21 VAL 31 3.545 -3.733 -5.253 263 HG22 VAL 31 HG22 VAL 31 4.478 -4.171 -3.803 264 HG23 VAL 31 HG23 VAL 31 4.807 -4.979 -5.354 265 H GLU 32 H GLU 32 2.285 -6.914 -1.446 266 HA GLU 32 HA GLU 32 0.620 -9.187 -2.345 267 HB2 GLU 32 HB2 GLU 32 2.558 -10.186 -1.189 268 HB3 GLU 32 HB3 GLU 32 2.294 -9.111 0.201 269 HG2 GLU 32 HG2 GLU 32 0.037 -10.110 0.522 270 HG3 GLU 32 HG3 GLU 32 0.340 -11.201 -0.843 271 H VAL 33 H VAL 33 -1.337 -8.122 -2.259 272 HA VAL 33 HA VAL 33 -1.933 -6.748 0.316 273 HB VAL 33 HB VAL 33 -3.259 -5.113 -0.913 274 HG11 VAL 33 HG11 VAL 33 -0.480 -5.413 -2.122 275 HG12 VAL 33 HG12 VAL 33 -1.438 -3.917 -2.052 276 HG13 VAL 33 HG13 VAL 33 -0.837 -4.662 -0.554 277 HG21 VAL 33 HG21 VAL 33 -2.273 -6.556 -3.410 278 HG22 VAL 33 HG22 VAL 33 -3.952 -6.518 -2.815 279 HG23 VAL 33 HG23 VAL 33 -3.174 -5.023 -3.382 280 H SER 34 H SER 34 -4.165 -6.780 0.968 281 HA SER 34 HA SER 34 -5.767 -8.930 -0.322 282 HB2 SER 34 HB2 SER 34 -4.691 -9.807 1.714 283 HB3 SER 34 HB3 SER 34 -5.366 -8.460 2.659 284 HG SER 34 HG SER 34 -6.619 -10.413 2.730 285 H LEU 35 H LEU 35 -7.262 -7.701 -1.332 286 HA LEU 35 HA LEU 35 -8.174 -5.170 -0.408 287 HB2 LEU 35 HB2 LEU 35 -9.451 -7.182 -2.304 288 HB3 LEU 35 HB3 LEU 35 -9.900 -5.469 -2.167 289 HG LEU 35 HG LEU 35 -7.113 -6.479 -2.919 290 HD11 LEU 35 HD11 LEU 35 -7.716 -5.725 -5.192 291 HD12 LEU 35 HD12 LEU 35 -8.793 -7.025 -4.632 292 HD13 LEU 35 HD13 LEU 35 -9.359 -5.338 -4.628 293 HD21 LEU 35 HD21 LEU 35 -6.570 -4.346 -2.335 294 HD22 LEU 35 HD22 LEU 35 -7.410 -3.884 -3.817 295 HD23 LEU 35 HD23 LEU 35 -8.284 -3.828 -2.270 296 H GLU 36 H GLU 36 -8.959 -8.409 0.555 297 HA GLU 36 HA GLU 36 -11.636 -7.741 1.538 298 HB2 GLU 36 HB2 GLU 36 -9.836 -10.174 1.865 299 HB3 GLU 36 HB3 GLU 36 -11.515 -10.069 2.440 300 HG2 GLU 36 HG2 GLU 36 -12.328 -9.733 0.166 301 HG3 GLU 36 HG3 GLU 36 -10.667 -9.670 -0.458 302 H LYS 37 H LYS 37 -8.301 -7.910 2.761 303 HA LYS 37 HA LYS 37 -9.324 -7.574 5.525 304 HB2 LYS 37 HB2 LYS 37 -6.566 -8.327 4.495 305 HB3 LYS 37 HB3 LYS 37 -7.043 -8.212 6.206 306 HG2 LYS 37 HG2 LYS 37 -8.792 -9.933 5.829 307 HG3 LYS 37 HG3 LYS 37 -8.288 -10.071 4.132 308 HD2 LYS 37 HD2 LYS 37 -6.026 -10.775 4.861 309 HD3 LYS 37 HD3 LYS 37 -6.543 -10.651 6.562 310 HE2 LYS 37 HE2 LYS 37 -8.331 -12.340 6.117 311 HE3 LYS 37 HE3 LYS 37 -7.774 -12.442 4.436 312 HZ1 LYS 37 HZ1 LYS 37 -6.582 -13.521 6.815 313 HZ2 LYS 37 HZ2 LYS 37 -6.629 -14.115 5.296 314 HZ3 LYS 37 HZ3 LYS 37 -5.532 -12.942 5.663 315 H GLY 38 H GLY 38 -8.110 -5.697 2.943 316 HA2 GLY 38 HA2 GLY 38 -7.570 -3.471 2.860 317 HA3 GLY 38 HA3 GLY 38 -8.028 -3.338 4.569 318 H GLU 39 H GLU 39 -5.637 -5.749 3.718 319 HA GLU 39 HA GLU 39 -3.526 -4.094 5.042 320 HB2 GLU 39 HB2 GLU 39 -3.784 -7.085 4.517 321 HB3 GLU 39 HB3 GLU 39 -2.405 -6.303 5.321 322 HG2 GLU 39 HG2 GLU 39 -3.863 -5.505 7.121 323 HG3 GLU 39 HG3 GLU 39 -5.285 -6.170 6.295 324 H ALA 40 H ALA 40 -1.428 -4.041 4.133 325 HA ALA 40 HA ALA 40 -1.114 -5.033 1.377 326 HB1 ALA 40 HB1 ALA 40 -2.033 -2.772 1.106 327 HB2 ALA 40 HB2 ALA 40 -0.808 -2.118 2.214 328 HB3 ALA 40 HB3 ALA 40 -0.316 -2.790 0.641 329 H LEU 41 H LEU 41 0.765 -6.039 1.283 330 HA LEU 41 HA LEU 41 2.983 -5.171 3.073 331 HB2 LEU 41 HB2 LEU 41 2.296 -7.960 2.036 332 HB3 LEU 41 HB3 LEU 41 3.752 -7.528 2.934 333 HG LEU 41 HG LEU 41 2.339 -8.532 4.489 334 HD11 LEU 41 HD11 LEU 41 2.455 -6.986 6.138 335 HD12 LEU 41 HD12 LEU 41 3.275 -6.040 4.904 336 HD13 LEU 41 HD13 LEU 41 1.544 -5.750 5.205 337 HD21 LEU 41 HD21 LEU 41 0.019 -7.988 4.901 338 HD22 LEU 41 HD22 LEU 41 0.055 -6.697 3.684 339 HD23 LEU 41 HD23 LEU 41 0.233 -8.396 3.184 340 H VAL 42 H VAL 42 5.109 -5.334 2.132 341 HA VAL 42 HA VAL 42 5.139 -5.764 -0.803 342 HB VAL 42 HB VAL 42 6.624 -3.853 -1.111 343 HG11 VAL 42 HG11 VAL 42 4.951 -2.176 -1.085 344 HG12 VAL 42 HG12 VAL 42 4.080 -3.705 -1.253 345 HG13 VAL 42 HG13 VAL 42 4.131 -2.899 0.331 346 HG21 VAL 42 HG21 VAL 42 6.036 -3.209 1.808 347 HG22 VAL 42 HG22 VAL 42 7.600 -3.754 1.160 348 HG23 VAL 42 HG23 VAL 42 6.936 -2.182 0.667 349 H GLU 43 H GLU 43 7.404 -6.049 -1.618 350 HA GLU 43 HA GLU 43 9.260 -7.086 0.450 351 HB2 GLU 43 HB2 GLU 43 7.962 -8.986 -0.544 352 HB3 GLU 43 HB3 GLU 43 8.550 -8.495 -2.147 353 HG2 GLU 43 HG2 GLU 43 10.902 -8.768 -1.298 354 HG3 GLU 43 HG3 GLU 43 10.238 -9.398 0.221 355 H GLY 44 H GLY 44 10.521 -5.209 0.206 356 HA2 GLY 44 HA2 GLY 44 12.210 -5.147 -2.139 357 HA3 GLY 44 HA3 GLY 44 11.082 -3.777 -2.070 358 H THR 45 H THR 45 13.587 -3.017 -2.021 359 HA THR 45 HA THR 45 14.528 -2.777 0.766 360 HB THR 45 HB THR 45 16.498 -1.740 -0.362 361 HG1 THR 45 HG1 THR 45 16.552 -1.944 -2.656 362 HG21 THR 45 HG21 THR 45 16.022 -4.306 -0.006 363 HG22 THR 45 HG22 THR 45 15.884 -4.338 -1.764 364 HG23 THR 45 HG23 THR 45 17.409 -3.799 -1.023 365 H ALA 46 H ALA 46 12.014 -1.426 -0.268 366 HA ALA 46 HA ALA 46 12.684 1.360 -0.596 367 HB1 ALA 46 HB1 ALA 46 9.988 0.329 0.298 368 HB2 ALA 46 HB2 ALA 46 10.370 1.698 -0.748 369 HB3 ALA 46 HB3 ALA 46 10.570 0.045 -1.375 370 H ASP 47 H ASP 47 11.651 3.038 0.947 371 HA ASP 47 HA ASP 47 12.255 2.213 3.739 372 HB2 ASP 47 HB2 ASP 47 12.417 4.913 2.361 373 HB3 ASP 47 HB3 ASP 47 12.657 4.657 4.101 374 HA PRO 48 HA PRO 48 8.219 2.816 5.155 375 HB2 PRO 48 HB2 PRO 48 9.357 4.773 7.149 376 HB3 PRO 48 HB3 PRO 48 8.259 3.383 7.443 377 HG2 PRO 48 HG2 PRO 48 10.898 3.161 8.001 378 HG3 PRO 48 HG3 PRO 48 10.048 1.823 7.156 379 HD2 PRO 48 HD2 PRO 48 11.808 3.973 5.969 380 HD3 PRO 48 HD3 PRO 48 11.761 2.219 5.605 381 H LYS 49 H LYS 49 10.023 5.967 5.095 382 HA LYS 49 HA LYS 49 7.582 7.486 4.848 383 HB2 LYS 49 HB2 LYS 49 10.498 8.223 4.366 384 HB3 LYS 49 HB3 LYS 49 9.142 9.370 4.381 385 HG2 LYS 49 HG2 LYS 49 8.587 8.634 6.707 386 HG3 LYS 49 HG3 LYS 49 10.051 7.622 6.705 387 HD2 LYS 49 HD2 LYS 49 11.446 9.621 6.315 388 HD3 LYS 49 HD3 LYS 49 9.985 10.632 6.223 389 HE2 LYS 49 HE2 LYS 49 9.405 9.940 8.555 390 HE3 LYS 49 HE3 LYS 49 10.945 9.062 8.648 391 HZ1 LYS 49 HZ1 LYS 49 10.619 11.947 8.193 392 HZ2 LYS 49 HZ2 LYS 49 11.107 11.239 9.596 393 HZ3 LYS 49 HZ3 LYS 49 12.065 11.150 8.257 394 H ALA 50 H ALA 50 9.439 5.654 2.563 395 HA ALA 50 HA ALA 50 8.640 7.392 0.321 396 HB1 ALA 50 HB1 ALA 50 10.873 6.334 0.335 397 HB2 ALA 50 HB2 ALA 50 10.113 4.726 0.410 398 HB3 ALA 50 HB3 ALA 50 9.893 5.747 -1.029 399 H LEU 51 H LEU 51 7.821 4.244 1.809 400 HA LEU 51 HA LEU 51 6.089 3.470 -0.356 401 HB2 LEU 51 HB2 LEU 51 7.316 2.011 1.428 402 HB3 LEU 51 HB3 LEU 51 5.937 2.414 2.474 403 HG LEU 51 HG LEU 51 4.451 1.622 0.505 404 HD11 LEU 51 HD11 LEU 51 5.606 -0.039 -0.997 405 HD12 LEU 51 HD12 LEU 51 6.181 1.622 -1.244 406 HD13 LEU 51 HD13 LEU 51 7.161 0.469 -0.309 407 HD21 LEU 51 HD21 LEU 51 4.893 0.337 2.621 408 HD22 LEU 51 HD22 LEU 51 4.595 -0.698 1.200 409 HD23 LEU 51 HD23 LEU 51 6.253 -0.457 1.799 410 H VAL 52 H VAL 52 5.534 4.748 2.971 411 HA VAL 52 HA VAL 52 2.694 4.638 2.776 412 HB VAL 52 HB VAL 52 4.539 6.255 4.578 413 HG11 VAL 52 HG11 VAL 52 1.581 5.560 4.843 414 HG12 VAL 52 HG12 VAL 52 2.579 6.306 6.113 415 HG13 VAL 52 HG13 VAL 52 2.263 7.188 4.605 416 HG21 VAL 52 HG21 VAL 52 4.100 4.414 6.177 417 HG22 VAL 52 HG22 VAL 52 3.125 3.578 4.947 418 HG23 VAL 52 HG23 VAL 52 4.872 3.802 4.697 419 H GLN 53 H GLN 53 5.042 7.025 1.612 420 HA GLN 53 HA GLN 53 3.088 9.168 1.534 421 HB2 GLN 53 HB2 GLN 53 5.556 9.560 1.614 422 HB3 GLN 53 HB3 GLN 53 5.698 8.828 -0.005 423 HG2 GLN 53 HG2 GLN 53 4.042 10.540 -0.840 424 HG3 GLN 53 HG3 GLN 53 4.103 11.313 0.753 425 HE21 GLN 53 HE21 GLN 53 6.583 12.630 -1.971 426 HE22 GLN 53 HE22 GLN 53 4.980 11.963 -2.172 427 H ALA 54 H ALA 54 4.310 6.685 -0.735 428 HA ALA 54 HA ALA 54 3.252 7.754 -3.101 429 HB1 ALA 54 HB1 ALA 54 3.450 5.449 -3.961 430 HB2 ALA 54 HB2 ALA 54 4.875 5.908 -3.000 431 HB3 ALA 54 HB3 ALA 54 3.634 4.841 -2.299 432 H VAL 55 H VAL 55 1.756 5.395 -0.801 433 HA VAL 55 HA VAL 55 -0.652 5.219 -2.371 434 HB VAL 55 HB VAL 55 -1.524 4.032 -0.343 435 HG11 VAL 55 HG11 VAL 55 -0.525 2.355 -1.485 436 HG12 VAL 55 HG12 VAL 55 0.896 3.358 -1.893 437 HG13 VAL 55 HG13 VAL 55 0.805 2.516 -0.331 438 HG21 VAL 55 HG21 VAL 55 -0.344 5.378 1.368 439 HG22 VAL 55 HG22 VAL 55 0.023 3.650 1.543 440 HG23 VAL 55 HG23 VAL 55 1.216 4.736 0.800 441 H GLU 56 H GLU 56 0.477 7.423 0.181 442 HA GLU 56 HA GLU 56 -2.199 8.362 0.767 443 HB2 GLU 56 HB2 GLU 56 -0.318 8.517 2.367 444 HB3 GLU 56 HB3 GLU 56 0.518 9.647 1.276 445 HG2 GLU 56 HG2 GLU 56 -1.361 11.228 1.447 446 HG3 GLU 56 HG3 GLU 56 -2.251 10.087 2.471 447 H GLU 57 H GLU 57 0.340 9.129 -1.580 448 HA GLU 57 HA GLU 57 -0.759 11.665 -2.403 449 HB2 GLU 57 HB2 GLU 57 1.352 9.760 -3.257 450 HB3 GLU 57 HB3 GLU 57 0.578 10.651 -4.589 451 HG2 GLU 57 HG2 GLU 57 0.981 12.785 -3.436 452 HG3 GLU 57 HG3 GLU 57 1.754 11.926 -2.094 453 H GLU 58 H GLU 58 -1.536 8.300 -2.954 454 HA GLU 58 HA GLU 58 -3.172 8.833 -5.330 455 HB2 GLU 58 HB2 GLU 58 -2.737 6.387 -3.570 456 HB3 GLU 58 HB3 GLU 58 -3.788 6.405 -5.000 457 HG2 GLU 58 HG2 GLU 58 -0.833 7.141 -5.041 458 HG3 GLU 58 HG3 GLU 58 -1.474 5.540 -5.454 459 H GLY 59 H GLY 59 -3.464 9.422 -2.032 460 HA2 GLY 59 HA2 GLY 59 -5.384 10.431 -1.101 461 HA3 GLY 59 HA3 GLY 59 -6.404 9.610 -2.298 462 H TYR 60 H TYR 60 -4.096 7.442 -1.046 463 HA TYR 60 HA TYR 60 -6.134 6.327 0.819 464 HB2 TYR 60 HB2 TYR 60 -4.134 5.040 -1.059 465 HB3 TYR 60 HB3 TYR 60 -4.951 4.146 0.220 466 HD1 TYR 60 HD1 TYR 60 -5.338 5.722 -3.064 467 HD2 TYR 60 HD2 TYR 60 -7.363 3.738 0.167 468 HE1 TYR 60 HE1 TYR 60 -7.292 5.317 -4.540 469 HE2 TYR 60 HE2 TYR 60 -9.315 3.323 -1.298 470 HH TYR 60 HH TYR 60 -10.219 3.600 -3.383 471 H LYS 61 H LYS 61 -5.371 7.354 2.711 472 HA LYS 61 HA LYS 61 -2.628 7.173 3.575 473 HB2 LYS 61 HB2 LYS 61 -5.258 7.596 5.048 474 HB3 LYS 61 HB3 LYS 61 -3.686 7.513 5.864 475 HG2 LYS 61 HG2 LYS 61 -2.866 9.364 4.389 476 HG3 LYS 61 HG3 LYS 61 -4.533 9.567 3.785 477 HD2 LYS 61 HD2 LYS 61 -5.330 10.020 6.052 478 HD3 LYS 61 HD3 LYS 61 -3.746 9.587 6.732 479 HE2 LYS 61 HE2 LYS 61 -2.717 11.485 5.497 480 HE3 LYS 61 HE3 LYS 61 -4.330 11.961 4.924 481 HZ1 LYS 61 HZ1 LYS 61 -3.666 13.170 6.877 482 HZ2 LYS 61 HZ2 LYS 61 -4.987 12.239 7.199 483 HZ3 LYS 61 HZ3 LYS 61 -3.498 11.775 7.738 484 H ALA 62 H ALA 62 -1.603 5.294 3.897 485 HA ALA 62 HA ALA 62 -3.068 3.188 5.400 486 HB1 ALA 62 HB1 ALA 62 -2.885 2.583 2.996 487 HB2 ALA 62 HB2 ALA 62 -1.119 2.753 3.106 488 HB3 ALA 62 HB3 ALA 62 -1.952 1.492 4.046 489 H GLU 63 H GLU 63 -2.164 3.868 7.343 490 HA GLU 63 HA GLU 63 0.719 4.304 7.548 491 HB2 GLU 63 HB2 GLU 63 -1.490 4.215 9.640 492 HB3 GLU 63 HB3 GLU 63 0.210 4.650 9.949 493 HG2 GLU 63 HG2 GLU 63 0.034 6.456 8.238 494 HG3 GLU 63 HG3 GLU 63 -1.685 6.075 8.034 495 H VAL 64 H VAL 64 2.212 2.993 8.514 496 HA VAL 64 HA VAL 64 1.909 0.197 8.252 497 HB VAL 64 HB VAL 64 4.101 0.130 9.446 498 HG11 VAL 64 HG11 VAL 64 3.698 2.219 7.269 499 HG12 VAL 64 HG12 VAL 64 5.299 1.640 7.802 500 HG13 VAL 64 HG13 VAL 64 4.135 0.512 7.069 501 HG21 VAL 64 HG21 VAL 64 3.661 3.137 9.711 502 HG22 VAL 64 HG22 VAL 64 3.700 1.969 11.054 503 HG23 VAL 64 HG23 VAL 64 5.161 2.264 10.092 504 H LEU 65 H LEU 65 1.455 -1.441 9.672 505 HA LEU 65 HA LEU 65 0.378 -0.653 12.323 506 HB2 LEU 65 HB2 LEU 65 0.345 -3.292 10.796 507 HB3 LEU 65 HB3 LEU 65 -0.434 -3.004 12.362 508 HG LEU 65 HG LEU 65 -1.119 -1.586 9.752 509 HD11 LEU 65 HD11 LEU 65 -2.571 -3.694 11.411 510 HD12 LEU 65 HD12 LEU 65 -3.231 -2.888 9.971 511 HD13 LEU 65 HD13 LEU 65 -1.813 -3.952 9.823 512 HD21 LEU 65 HD21 LEU 65 -1.483 -0.126 11.701 513 HD22 LEU 65 HD22 LEU 65 -3.040 -0.698 11.069 514 HD23 LEU 65 HD23 LEU 65 -2.354 -1.433 12.538 515 H ALA 66 H ALA 66 3.308 -0.609 11.632 516 HA ALA 66 HA ALA 66 4.215 -2.246 13.883 517 HB1 ALA 66 HB1 ALA 66 4.358 -3.824 11.987 518 HB2 ALA 66 HB2 ALA 66 5.303 -2.633 11.061 519 HB3 ALA 66 HB3 ALA 66 5.979 -3.349 12.544 Start of MODEL 5 1 H1 MET 1 H MET 1 9.508 -3.763 10.227 2 HA MET 1 HA MET 1 9.723 -3.554 7.286 3 HB2 MET 1 HB2 MET 1 9.922 -5.873 8.153 4 HB3 MET 1 HB3 MET 1 8.315 -5.718 8.893 5 HG2 MET 1 HG2 MET 1 7.308 -5.347 6.705 6 HG3 MET 1 HG3 MET 1 8.898 -5.309 5.933 7 HE1 MET 1 HE1 MET 1 10.313 -7.069 5.378 8 HE2 MET 1 HE2 MET 1 9.743 -8.724 5.015 9 HE3 MET 1 HE3 MET 1 9.017 -7.321 4.197 10 H LEU 2 H LEU 2 7.575 -3.459 6.175 11 HA LEU 2 HA LEU 2 5.801 -1.654 7.721 12 HB2 LEU 2 HB2 LEU 2 6.155 -1.984 4.720 13 HB3 LEU 2 HB3 LEU 2 5.191 -0.736 5.539 14 HG LEU 2 HG LEU 2 8.207 -1.123 5.839 15 HD11 LEU 2 HD11 LEU 2 7.601 -0.284 3.614 16 HD12 LEU 2 HD12 LEU 2 6.599 0.992 4.355 17 HD13 LEU 2 HD13 LEU 2 8.362 0.997 4.579 18 HD21 LEU 2 HD21 LEU 2 6.356 1.082 6.832 19 HD22 LEU 2 HD22 LEU 2 7.140 -0.146 7.856 20 HD23 LEU 2 HD23 LEU 2 8.123 1.058 6.997 21 H LYS 3 H LYS 3 3.488 -1.755 7.286 22 HA LYS 3 HA LYS 3 2.389 -4.259 6.264 23 HB2 LYS 3 HB2 LYS 3 3.195 -4.718 8.621 24 HB3 LYS 3 HB3 LYS 3 2.003 -3.539 9.202 25 HG2 LYS 3 HG2 LYS 3 0.178 -4.887 8.315 26 HG3 LYS 3 HG3 LYS 3 1.320 -5.928 7.434 27 HD2 LYS 3 HD2 LYS 3 2.322 -6.643 9.597 28 HD3 LYS 3 HD3 LYS 3 1.104 -5.682 10.464 29 HE2 LYS 3 HE2 LYS 3 -0.698 -7.025 9.398 30 HE3 LYS 3 HE3 LYS 3 0.537 -7.953 8.521 31 HZ1 LYS 3 HZ1 LYS 3 0.485 -9.279 10.246 32 HZ2 LYS 3 HZ2 LYS 3 1.319 -8.129 11.070 33 HZ3 LYS 3 HZ3 LYS 3 -0.321 -8.201 11.214 34 H LEU 4 H LEU 4 1.410 -2.776 4.797 35 HA LEU 4 HA LEU 4 0.350 -0.268 5.788 36 HB2 LEU 4 HB2 LEU 4 0.922 -1.614 3.190 37 HB3 LEU 4 HB3 LEU 4 -0.383 -0.415 3.173 38 HG LEU 4 HG LEU 4 1.120 1.252 4.222 39 HD11 LEU 4 HD11 LEU 4 3.248 -0.897 3.861 40 HD12 LEU 4 HD12 LEU 4 3.537 0.786 4.365 41 HD13 LEU 4 HD13 LEU 4 2.619 -0.309 5.419 42 HD21 LEU 4 HD21 LEU 4 0.918 1.101 1.761 43 HD22 LEU 4 HD22 LEU 4 2.555 1.605 2.243 44 HD23 LEU 4 HD23 LEU 4 2.255 -0.072 1.725 45 H LYS 5 H LYS 5 -1.507 -0.250 6.873 46 HA LYS 5 HA LYS 5 -3.809 -1.847 5.923 47 HB2 LYS 5 HB2 LYS 5 -3.285 -1.792 8.327 48 HB3 LYS 5 HB3 LYS 5 -3.435 -0.027 8.352 49 HG2 LYS 5 HG2 LYS 5 -5.769 -1.533 7.229 50 HG3 LYS 5 HG3 LYS 5 -5.448 -1.755 8.962 51 HD2 LYS 5 HD2 LYS 5 -5.396 0.713 9.268 52 HD3 LYS 5 HD3 LYS 5 -5.863 0.915 7.565 53 HE2 LYS 5 HE2 LYS 5 -7.927 -0.373 7.971 54 HE3 LYS 5 HE3 LYS 5 -7.459 -0.595 9.669 55 HZ1 LYS 5 HZ1 LYS 5 -8.001 1.978 8.354 56 HZ2 LYS 5 HZ2 LYS 5 -8.980 1.207 9.430 57 HZ3 LYS 5 HZ3 LYS 5 -7.518 1.788 9.919 58 H VAL 6 H VAL 6 -4.495 -0.845 4.031 59 HA VAL 6 HA VAL 6 -4.421 1.974 3.603 60 HB VAL 6 HB VAL 6 -6.167 -0.132 2.262 61 HG11 VAL 6 HG11 VAL 6 -5.098 2.568 1.319 62 HG12 VAL 6 HG12 VAL 6 -6.054 1.430 0.341 63 HG13 VAL 6 HG13 VAL 6 -6.787 2.219 1.755 64 HG21 VAL 6 HG21 VAL 6 -4.321 -0.284 0.618 65 HG22 VAL 6 HG22 VAL 6 -3.346 0.826 1.611 66 HG23 VAL 6 HG23 VAL 6 -3.779 -0.784 2.235 67 H GLU 7 H GLU 7 -5.868 3.564 4.047 68 HA GLU 7 HA GLU 7 -8.072 2.907 5.852 69 HB2 GLU 7 HB2 GLU 7 -6.439 4.824 6.163 70 HB3 GLU 7 HB3 GLU 7 -7.192 5.608 4.762 71 HG2 GLU 7 HG2 GLU 7 -8.175 6.451 6.839 72 HG3 GLU 7 HG3 GLU 7 -9.399 5.519 5.957 73 H GLY 8 H GLY 8 -10.266 3.428 5.463 74 HA2 GLY 8 HA2 GLY 8 -11.022 3.405 2.607 75 HA3 GLY 8 HA3 GLY 8 -12.067 3.051 4.000 76 H MET 9 H MET 9 -10.054 5.804 2.784 77 HA MET 9 HA MET 9 -11.611 7.773 4.129 78 HB2 MET 9 HB2 MET 9 -9.716 7.946 1.753 79 HB3 MET 9 HB3 MET 9 -10.389 9.349 2.611 80 HG2 MET 9 HG2 MET 9 -9.416 8.509 4.726 81 HG3 MET 9 HG3 MET 9 -8.685 7.157 3.850 82 HE1 MET 9 HE1 MET 9 -5.725 9.560 4.930 83 HE2 MET 9 HE2 MET 9 -7.256 9.288 5.793 84 HE3 MET 9 HE3 MET 9 -6.393 7.914 5.059 85 H THR 10 H THR 10 -11.420 7.108 0.556 86 HA THR 10 HA THR 10 -14.256 7.988 0.385 87 HB THR 10 HB THR 10 -13.579 9.246 -1.700 88 HG1 THR 10 HG1 THR 10 -11.595 8.477 -2.176 89 HG21 THR 10 HG21 THR 10 -13.986 10.379 0.464 90 HG22 THR 10 HG22 THR 10 -12.282 10.126 0.914 91 HG23 THR 10 HG23 THR 10 -12.692 11.179 -0.458 92 H CYS 11 H CYS 11 -15.208 7.469 -1.785 93 HA CYS 11 HA CYS 11 -15.951 5.785 -3.120 94 HB2 CYS 11 HB2 CYS 11 -12.984 5.737 -3.796 95 HB3 CYS 11 HB3 CYS 11 -14.286 5.018 -4.775 96 HG CYS 11 HG CYS 11 -13.961 7.089 -6.044 97 H ASN 12 H ASN 12 -15.330 4.957 -0.374 98 HA ASN 12 HA ASN 12 -14.012 2.413 -0.421 99 HB2 ASN 12 HB2 ASN 12 -15.027 2.151 1.809 100 HB3 ASN 12 HB3 ASN 12 -14.268 3.743 1.621 101 HD21 ASN 12 HD21 ASN 12 -18.057 3.563 2.836 102 HD22 ASN 12 HD22 ASN 12 -16.920 2.232 2.886 103 H HIS 13 H HIS 13 -16.992 3.439 -1.708 104 HA HIS 13 HA HIS 13 -18.462 0.963 -1.303 105 HB2 HIS 13 HB2 HIS 13 -18.840 3.221 -3.305 106 HB3 HIS 13 HB3 HIS 13 -20.028 1.970 -2.903 107 HD1 HIS 13 HD1 HIS 13 -19.195 5.420 -1.976 108 HD2 HIS 13 HD2 HIS 13 -20.616 1.962 -0.037 109 HE1 HIS 13 HE1 HIS 13 -20.279 6.192 0.205 110 H CYS 14 H CYS 14 -15.774 1.853 -3.148 111 HA CYS 14 HA CYS 14 -16.273 -0.342 -5.088 112 HB2 CYS 14 HB2 CYS 14 -14.928 2.338 -5.629 113 HB3 CYS 14 HB3 CYS 14 -15.095 0.998 -6.789 114 HG CYS 14 HG CYS 14 -16.795 2.897 -7.363 115 H VAL 15 H VAL 15 -13.886 -0.611 -6.246 116 HA VAL 15 HA VAL 15 -11.820 -0.559 -4.130 117 HB VAL 15 HB VAL 15 -12.920 -2.774 -4.052 118 HG11 VAL 15 HG11 VAL 15 -12.703 -4.317 -5.961 119 HG12 VAL 15 HG12 VAL 15 -13.666 -2.892 -6.407 120 HG13 VAL 15 HG13 VAL 15 -11.972 -3.023 -6.937 121 HG21 VAL 15 HG21 VAL 15 -10.897 -4.129 -4.261 122 HG22 VAL 15 HG22 VAL 15 -10.129 -2.881 -5.266 123 HG23 VAL 15 HG23 VAL 15 -10.498 -2.547 -3.556 124 H MET 16 H MET 16 -9.625 -0.699 -5.030 125 HA MET 16 HA MET 16 -9.479 -0.143 -7.941 126 HB2 MET 16 HB2 MET 16 -8.225 1.568 -5.755 127 HB3 MET 16 HB3 MET 16 -8.055 1.808 -7.507 128 HG2 MET 16 HG2 MET 16 -10.509 2.150 -7.676 129 HG3 MET 16 HG3 MET 16 -10.650 1.941 -5.925 130 HE1 MET 16 HE1 MET 16 -11.447 5.710 -6.296 131 HE2 MET 16 HE2 MET 16 -11.919 4.370 -7.368 132 HE3 MET 16 HE3 MET 16 -11.941 4.147 -5.602 133 H ALA 17 H ALA 17 -7.211 -0.271 -8.743 134 HA ALA 17 HA ALA 17 -5.847 -2.539 -7.542 135 HB1 ALA 17 HB1 ALA 17 -5.967 -2.216 -9.990 136 HB2 ALA 17 HB2 ALA 17 -5.079 -0.683 -9.835 137 HB3 ALA 17 HB3 ALA 17 -4.279 -2.219 -9.428 138 H VAL 18 H VAL 18 -5.212 -1.786 -5.439 139 HA VAL 18 HA VAL 18 -3.717 0.662 -5.143 140 HB VAL 18 HB VAL 18 -3.973 -1.738 -3.272 141 HG11 VAL 18 HG11 VAL 18 -3.283 1.196 -2.799 142 HG12 VAL 18 HG12 VAL 18 -3.509 -0.031 -1.530 143 HG13 VAL 18 HG13 VAL 18 -2.156 -0.176 -2.671 144 HG21 VAL 18 HG21 VAL 18 -5.630 0.274 -2.342 145 HG22 VAL 18 HG22 VAL 18 -5.829 0.431 -4.087 146 HG23 VAL 18 HG23 VAL 18 -6.182 -1.130 -3.309 147 H THR 19 H THR 19 -2.912 -2.659 -5.985 148 HA THR 19 HA THR 19 -0.262 -2.787 -5.113 149 HB THR 19 HB THR 19 -1.500 -3.902 -7.662 150 HG1 THR 19 HG1 THR 19 -1.823 -5.710 -6.327 151 HG21 THR 19 HG21 THR 19 0.274 -5.626 -7.456 152 HG22 THR 19 HG22 THR 19 0.968 -4.008 -7.694 153 HG23 THR 19 HG23 THR 19 0.964 -4.744 -6.073 154 H LYS 20 H LYS 20 -1.636 -1.236 -8.033 155 HA LYS 20 HA LYS 20 0.838 -0.775 -9.344 156 HB2 LYS 20 HB2 LYS 20 -1.789 0.761 -9.471 157 HB3 LYS 20 HB3 LYS 20 -0.462 0.887 -10.645 158 HG2 LYS 20 HG2 LYS 20 -0.686 -1.527 -11.161 159 HG3 LYS 20 HG3 LYS 20 -2.031 -1.647 -10.002 160 HD2 LYS 20 HD2 LYS 20 -3.304 0.031 -11.309 161 HD3 LYS 20 HD3 LYS 20 -1.962 0.138 -12.474 162 HE2 LYS 20 HE2 LYS 20 -2.213 -2.271 -12.980 163 HE3 LYS 20 HE3 LYS 20 -3.548 -2.380 -11.816 164 HZ1 LYS 20 HZ1 LYS 20 -4.757 -0.811 -13.151 165 HZ2 LYS 20 HZ2 LYS 20 -3.515 -0.712 -14.235 166 HZ3 LYS 20 HZ3 LYS 20 -4.336 -2.130 -14.047 167 H ALA 21 H ALA 21 -0.652 0.858 -6.591 168 HA ALA 21 HA ALA 21 0.782 3.348 -7.036 169 HB1 ALA 21 HB1 ALA 21 -0.614 2.237 -4.569 170 HB2 ALA 21 HB2 ALA 21 -0.075 3.917 -4.801 171 HB3 ALA 21 HB3 ALA 21 -1.367 3.248 -5.825 172 H LEU 22 H LEU 22 1.223 0.400 -5.029 173 HA LEU 22 HA LEU 22 3.473 1.472 -3.596 174 HB2 LEU 22 HB2 LEU 22 2.403 -1.345 -4.057 175 HB3 LEU 22 HB3 LEU 22 3.856 -1.011 -3.107 176 HG LEU 22 HG LEU 22 2.105 -1.209 -1.546 177 HD11 LEU 22 HD11 LEU 22 3.688 0.757 -1.283 178 HD12 LEU 22 HD12 LEU 22 2.407 1.788 -1.950 179 HD13 LEU 22 HD13 LEU 22 2.133 0.918 -0.427 180 HD21 LEU 22 HD21 LEU 22 0.207 -0.905 -3.105 181 HD22 LEU 22 HD22 LEU 22 0.022 0.056 -1.622 182 HD23 LEU 22 HD23 LEU 22 0.520 0.849 -3.130 183 H LYS 23 H LYS 23 3.097 -0.307 -6.650 184 HA LYS 23 HA LYS 23 5.738 -1.259 -6.817 185 HB2 LYS 23 HB2 LYS 23 3.701 -1.939 -8.159 186 HB3 LYS 23 HB3 LYS 23 3.982 -0.506 -9.177 187 HG2 LYS 23 HG2 LYS 23 6.232 -1.333 -9.741 188 HG3 LYS 23 HG3 LYS 23 6.042 -2.685 -8.602 189 HD2 LYS 23 HD2 LYS 23 4.122 -3.525 -9.928 190 HD3 LYS 23 HD3 LYS 23 4.360 -2.206 -11.098 191 HE2 LYS 23 HE2 LYS 23 6.635 -3.023 -11.577 192 HE3 LYS 23 HE3 LYS 23 6.451 -4.296 -10.355 193 HZ1 LYS 23 HZ1 LYS 23 4.853 -4.026 -12.803 194 HZ2 LYS 23 HZ2 LYS 23 6.044 -5.134 -12.533 195 HZ3 LYS 23 HZ3 LYS 23 4.653 -5.191 -11.652 196 H LYS 24 H LYS 24 4.538 2.016 -7.313 197 HA LYS 24 HA LYS 24 6.640 2.836 -9.104 198 HB2 LYS 24 HB2 LYS 24 4.906 4.403 -7.150 199 HB3 LYS 24 HB3 LYS 24 5.996 5.129 -8.344 200 HG2 LYS 24 HG2 LYS 24 4.736 4.001 -10.169 201 HG3 LYS 24 HG3 LYS 24 3.589 3.370 -8.959 202 HD2 LYS 24 HD2 LYS 24 3.059 5.676 -8.252 203 HD3 LYS 24 HD3 LYS 24 4.234 6.317 -9.420 204 HE2 LYS 24 HE2 LYS 24 2.931 5.338 -11.277 205 HE3 LYS 24 HE3 LYS 24 1.760 4.687 -10.113 206 HZ1 LYS 24 HZ1 LYS 24 2.361 7.535 -10.522 207 HZ2 LYS 24 HZ2 LYS 24 1.014 6.746 -11.053 208 HZ3 LYS 24 HZ3 LYS 24 1.278 6.933 -9.439 209 H VAL 25 H VAL 25 6.633 2.046 -5.722 210 HA VAL 25 HA VAL 25 8.638 3.981 -4.952 211 HB VAL 25 HB VAL 25 7.509 1.470 -3.673 212 HG11 VAL 25 HG11 VAL 25 8.572 2.262 -1.585 213 HG12 VAL 25 HG12 VAL 25 9.783 1.855 -2.820 214 HG13 VAL 25 HG13 VAL 25 9.384 3.558 -2.494 215 HG21 VAL 25 HG21 VAL 25 6.339 3.129 -2.257 216 HG22 VAL 25 HG22 VAL 25 7.108 4.449 -3.167 217 HG23 VAL 25 HG23 VAL 25 5.951 3.363 -3.973 218 HA PRO 26 HA PRO 26 12.124 1.791 -6.653 219 HB2 PRO 26 HB2 PRO 26 13.534 3.391 -4.535 220 HB3 PRO 26 HB3 PRO 26 13.947 3.232 -6.273 221 HG2 PRO 26 HG2 PRO 26 12.757 5.486 -5.346 222 HG3 PRO 26 HG3 PRO 26 12.217 4.751 -6.893 223 HD2 PRO 26 HD2 PRO 26 10.940 4.514 -4.164 224 HD3 PRO 26 HD3 PRO 26 10.169 4.787 -5.760 225 H GLY 27 H GLY 27 13.215 -0.086 -6.041 226 HA2 GLY 27 HA2 GLY 27 14.371 -1.487 -4.571 227 HA3 GLY 27 HA3 GLY 27 13.724 -0.586 -3.189 228 H VAL 28 H VAL 28 10.918 -0.839 -4.556 229 HA VAL 28 HA VAL 28 10.163 -3.260 -3.148 230 HB VAL 28 HB VAL 28 8.695 -1.365 -5.026 231 HG11 VAL 28 HG11 VAL 28 7.672 -3.598 -5.158 232 HG12 VAL 28 HG12 VAL 28 7.607 -3.686 -3.381 233 HG13 VAL 28 HG13 VAL 28 6.628 -2.482 -4.252 234 HG21 VAL 28 HG21 VAL 28 8.590 -1.802 -2.009 235 HG22 VAL 28 HG22 VAL 28 9.352 -0.423 -2.837 236 HG23 VAL 28 HG23 VAL 28 7.590 -0.650 -2.926 237 H GLU 29 H GLU 29 10.143 -5.322 -3.953 238 HA GLU 29 HA GLU 29 10.544 -5.584 -6.894 239 HB2 GLU 29 HB2 GLU 29 12.368 -6.416 -5.423 240 HB3 GLU 29 HB3 GLU 29 11.211 -7.517 -4.642 241 HG2 GLU 29 HG2 GLU 29 10.760 -8.576 -6.846 242 HG3 GLU 29 HG3 GLU 29 11.953 -7.497 -7.598 243 H LYS 30 H LYS 30 8.778 -6.902 -4.044 244 HA LYS 30 HA LYS 30 6.620 -7.689 -5.914 245 HB2 LYS 30 HB2 LYS 30 7.842 -9.442 -3.752 246 HB3 LYS 30 HB3 LYS 30 6.265 -9.747 -4.516 247 HG2 LYS 30 HG2 LYS 30 7.382 -9.712 -6.755 248 HG3 LYS 30 HG3 LYS 30 8.955 -9.583 -5.937 249 HD2 LYS 30 HD2 LYS 30 8.569 -11.732 -4.811 250 HD3 LYS 30 HD3 LYS 30 6.939 -11.833 -5.521 251 HE2 LYS 30 HE2 LYS 30 7.921 -11.826 -7.791 252 HE3 LYS 30 HE3 LYS 30 9.548 -11.737 -7.088 253 HZ1 LYS 30 HZ1 LYS 30 9.154 -13.845 -6.050 254 HZ2 LYS 30 HZ2 LYS 30 7.631 -13.926 -6.674 255 HZ3 LYS 30 HZ3 LYS 30 8.939 -13.971 -7.679 256 H VAL 31 H VAL 31 4.526 -7.824 -4.930 257 HA VAL 31 HA VAL 31 4.258 -6.550 -2.280 258 HB VAL 31 HB VAL 31 2.927 -5.567 -4.841 259 HG11 VAL 31 HG11 VAL 31 2.623 -4.650 -1.951 260 HG12 VAL 31 HG12 VAL 31 1.924 -3.836 -3.370 261 HG13 VAL 31 HG13 VAL 31 1.384 -5.469 -2.929 262 HG21 VAL 31 HG21 VAL 31 4.113 -3.448 -4.332 263 HG22 VAL 31 HG22 VAL 31 4.913 -4.235 -2.952 264 HG23 VAL 31 HG23 VAL 31 5.251 -4.783 -4.611 265 H GLU 32 H GLU 32 2.294 -7.126 -1.247 266 HA GLU 32 HA GLU 32 0.500 -8.976 -2.714 267 HB2 GLU 32 HB2 GLU 32 2.140 -10.364 -1.498 268 HB3 GLU 32 HB3 GLU 32 1.746 -9.506 0.011 269 HG2 GLU 32 HG2 GLU 32 -0.617 -10.247 -0.203 270 HG3 GLU 32 HG3 GLU 32 -0.204 -11.117 -1.691 271 H VAL 33 H VAL 33 -1.244 -7.592 -2.750 272 HA VAL 33 HA VAL 33 -1.965 -6.220 -0.228 273 HB VAL 33 HB VAL 33 -3.535 -4.965 -1.612 274 HG11 VAL 33 HG11 VAL 33 -1.175 -4.212 -1.517 275 HG12 VAL 33 HG12 VAL 33 -0.811 -5.191 -2.959 276 HG13 VAL 33 HG13 VAL 33 -1.932 -3.815 -3.076 277 HG21 VAL 33 HG21 VAL 33 -2.562 -6.725 -3.902 278 HG22 VAL 33 HG22 VAL 33 -4.189 -6.746 -3.182 279 HG23 VAL 33 HG23 VAL 33 -3.624 -5.308 -4.057 280 H SER 34 H SER 34 -4.112 -6.360 0.602 281 HA SER 34 HA SER 34 -5.683 -8.730 -0.281 282 HB2 SER 34 HB2 SER 34 -4.471 -9.231 1.820 283 HB3 SER 34 HB3 SER 34 -5.169 -7.777 2.568 284 HG SER 34 HG SER 34 -6.324 -9.705 3.046 285 H LEU 35 H LEU 35 -7.215 -7.616 -1.433 286 HA LEU 35 HA LEU 35 -8.022 -4.968 -0.816 287 HB2 LEU 35 HB2 LEU 35 -9.428 -7.100 -2.468 288 HB3 LEU 35 HB3 LEU 35 -9.725 -5.354 -2.552 289 HG LEU 35 HG LEU 35 -7.072 -6.723 -3.186 290 HD11 LEU 35 HD11 LEU 35 -7.604 -6.135 -5.523 291 HD12 LEU 35 HD12 LEU 35 -8.838 -7.219 -4.841 292 HD13 LEU 35 HD13 LEU 35 -9.176 -5.479 -5.005 293 HD21 LEU 35 HD21 LEU 35 -6.455 -4.495 -4.096 294 HD22 LEU 35 HD22 LEU 35 -7.998 -3.834 -3.508 295 HD23 LEU 35 HD23 LEU 35 -6.778 -4.419 -2.352 296 H GLU 36 H GLU 36 -9.099 -8.040 0.506 297 HA GLU 36 HA GLU 36 -11.729 -6.978 1.191 298 HB2 GLU 36 HB2 GLU 36 -10.316 -9.559 1.963 299 HB3 GLU 36 HB3 GLU 36 -12.021 -9.167 2.304 300 HG2 GLU 36 HG2 GLU 36 -12.393 -8.820 -0.144 301 HG3 GLU 36 HG3 GLU 36 -10.723 -9.327 -0.451 302 H LYS 37 H LYS 37 -8.575 -7.371 2.814 303 HA LYS 37 HA LYS 37 -9.827 -6.281 5.282 304 HB2 LYS 37 HB2 LYS 37 -7.182 -7.725 4.868 305 HB3 LYS 37 HB3 LYS 37 -7.683 -6.925 6.371 306 HG2 LYS 37 HG2 LYS 37 -8.495 -8.974 6.876 307 HG3 LYS 37 HG3 LYS 37 -9.902 -8.390 5.972 308 HD2 LYS 37 HD2 LYS 37 -9.026 -9.536 3.937 309 HD3 LYS 37 HD3 LYS 37 -7.616 -10.092 4.875 310 HE2 LYS 37 HE2 LYS 37 -9.164 -11.259 6.459 311 HE3 LYS 37 HE3 LYS 37 -10.532 -10.712 5.471 312 HZ1 LYS 37 HZ1 LYS 37 -8.635 -12.800 4.950 313 HZ2 LYS 37 HZ2 LYS 37 -10.219 -12.679 4.555 314 HZ3 LYS 37 HZ3 LYS 37 -9.104 -11.892 3.636 315 H GLY 38 H GLY 38 -8.097 -5.315 2.520 316 HA2 GLY 38 HA2 GLY 38 -7.224 -3.266 1.974 317 HA3 GLY 38 HA3 GLY 38 -7.787 -2.648 3.539 318 H GLU 39 H GLU 39 -5.727 -5.502 3.523 319 HA GLU 39 HA GLU 39 -3.560 -3.871 4.765 320 HB2 GLU 39 HB2 GLU 39 -4.121 -6.866 4.686 321 HB3 GLU 39 HB3 GLU 39 -2.759 -6.104 5.537 322 HG2 GLU 39 HG2 GLU 39 -4.314 -4.855 6.967 323 HG3 GLU 39 HG3 GLU 39 -5.698 -5.510 6.074 324 H ALA 40 H ALA 40 -1.352 -4.220 4.088 325 HA ALA 40 HA ALA 40 -0.979 -5.636 1.541 326 HB1 ALA 40 HB1 ALA 40 -0.222 -3.737 0.332 327 HB2 ALA 40 HB2 ALA 40 -1.749 -3.252 1.078 328 HB3 ALA 40 HB3 ALA 40 -0.215 -2.708 1.795 329 H LEU 41 H LEU 41 0.848 -6.699 1.595 330 HA LEU 41 HA LEU 41 3.048 -5.811 3.407 331 HB2 LEU 41 HB2 LEU 41 2.326 -8.538 2.241 332 HB3 LEU 41 HB3 LEU 41 3.858 -8.179 3.042 333 HG LEU 41 HG LEU 41 2.500 -9.236 4.659 334 HD11 LEU 41 HD11 LEU 41 3.757 -7.231 5.453 335 HD12 LEU 41 HD12 LEU 41 2.295 -6.244 5.201 336 HD13 LEU 41 HD13 LEU 41 2.292 -7.551 6.404 337 HD21 LEU 41 HD21 LEU 41 0.261 -8.527 5.273 338 HD22 LEU 41 HD22 LEU 41 0.316 -7.190 4.110 339 HD23 LEU 41 HD23 LEU 41 0.314 -8.873 3.529 340 H VAL 42 H VAL 42 5.210 -5.866 2.524 341 HA VAL 42 HA VAL 42 5.318 -6.018 -0.437 342 HB VAL 42 HB VAL 42 6.744 -4.038 -0.491 343 HG11 VAL 42 HG11 VAL 42 5.023 -2.420 -0.300 344 HG12 VAL 42 HG12 VAL 42 4.195 -3.942 -0.655 345 HG13 VAL 42 HG13 VAL 42 4.205 -3.320 1.012 346 HG21 VAL 42 HG21 VAL 42 6.086 -3.755 2.471 347 HG22 VAL 42 HG22 VAL 42 7.678 -4.174 1.795 348 HG23 VAL 42 HG23 VAL 42 6.971 -2.575 1.478 349 H GLU 43 H GLU 43 7.572 -6.240 -1.231 350 HA GLU 43 HA GLU 43 9.431 -7.382 0.773 351 HB2 GLU 43 HB2 GLU 43 8.120 -9.214 -0.312 352 HB3 GLU 43 HB3 GLU 43 8.720 -8.669 -1.891 353 HG2 GLU 43 HG2 GLU 43 11.049 -9.061 -1.128 354 HG3 GLU 43 HG3 GLU 43 10.442 -9.585 0.455 355 H GLY 44 H GLY 44 10.683 -5.504 0.648 356 HA2 GLY 44 HA2 GLY 44 12.422 -5.286 -1.639 357 HA3 GLY 44 HA3 GLY 44 11.277 -3.931 -1.536 358 H THR 45 H THR 45 13.651 -3.000 -1.334 359 HA THR 45 HA THR 45 14.323 -2.791 1.560 360 HB THR 45 HB THR 45 16.607 -2.220 0.746 361 HG1 THR 45 HG1 THR 45 17.006 -2.661 -1.478 362 HG21 THR 45 HG21 THR 45 15.506 -4.843 -0.352 363 HG22 THR 45 HG22 THR 45 17.209 -4.493 0.017 364 HG23 THR 45 HG23 THR 45 16.012 -4.559 1.330 365 H ALA 46 H ALA 46 12.237 -1.277 0.058 366 HA ALA 46 HA ALA 46 13.308 1.290 -0.644 367 HB1 ALA 46 HB1 ALA 46 10.938 1.931 -0.773 368 HB2 ALA 46 HB2 ALA 46 11.184 0.335 -1.525 369 HB3 ALA 46 HB3 ALA 46 10.473 0.452 0.101 370 H ASP 47 H ASP 47 12.526 3.337 0.411 371 HA ASP 47 HA ASP 47 13.246 3.337 3.207 372 HB2 ASP 47 HB2 ASP 47 13.749 5.097 1.422 373 HB3 ASP 47 HB3 ASP 47 12.055 5.603 1.570 374 HA PRO 48 HA PRO 48 9.309 2.868 5.087 375 HB2 PRO 48 HB2 PRO 48 10.146 5.231 6.769 376 HB3 PRO 48 HB3 PRO 48 9.442 3.668 7.305 377 HG2 PRO 48 HG2 PRO 48 12.101 4.087 7.536 378 HG3 PRO 48 HG3 PRO 48 11.503 2.523 6.880 379 HD2 PRO 48 HD2 PRO 48 12.557 4.915 5.364 380 HD3 PRO 48 HD3 PRO 48 12.907 3.174 5.111 381 H LYS 49 H LYS 49 10.234 6.361 4.679 382 HA LYS 49 HA LYS 49 7.472 7.184 4.534 383 HB2 LYS 49 HB2 LYS 49 10.088 8.574 3.835 384 HB3 LYS 49 HB3 LYS 49 8.494 9.356 3.791 385 HG2 LYS 49 HG2 LYS 49 8.164 8.765 6.196 386 HG3 LYS 49 HG3 LYS 49 9.823 8.120 6.234 387 HD2 LYS 49 HD2 LYS 49 10.627 10.208 6.554 388 HD3 LYS 49 HD3 LYS 49 9.900 10.724 5.014 389 HE2 LYS 49 HE2 LYS 49 7.731 11.078 6.185 390 HE3 LYS 49 HE3 LYS 49 8.504 10.641 7.721 391 HZ1 LYS 49 HZ1 LYS 49 9.274 12.893 5.996 392 HZ2 LYS 49 HZ2 LYS 49 8.406 13.002 7.393 393 HZ3 LYS 49 HZ3 LYS 49 9.973 12.497 7.440 394 H ALA 50 H ALA 50 9.721 5.893 2.158 395 HA ALA 50 HA ALA 50 8.560 7.260 -0.097 396 HB1 ALA 50 HB1 ALA 50 10.810 6.246 -0.152 397 HB2 ALA 50 HB2 ALA 50 10.091 4.630 0.061 398 HB3 ALA 50 HB3 ALA 50 9.767 5.564 -1.419 399 H LEU 51 H LEU 51 7.874 4.219 1.642 400 HA LEU 51 HA LEU 51 5.991 3.296 -0.333 401 HB2 LEU 51 HB2 LEU 51 7.345 1.963 1.462 402 HB3 LEU 51 HB3 LEU 51 6.038 2.443 2.565 403 HG LEU 51 HG LEU 51 4.419 1.505 0.787 404 HD11 LEU 51 HD11 LEU 51 5.446 -0.225 -0.712 405 HD12 LEU 51 HD12 LEU 51 6.017 1.412 -1.100 406 HD13 LEU 51 HD13 LEU 51 7.057 0.301 -0.180 407 HD21 LEU 51 HD21 LEU 51 5.081 0.339 2.924 408 HD22 LEU 51 HD22 LEU 51 4.661 -0.770 1.595 409 HD23 LEU 51 HD23 LEU 51 6.365 -0.484 2.012 410 H VAL 52 H VAL 52 5.771 4.982 2.814 411 HA VAL 52 HA VAL 52 2.940 4.948 3.027 412 HB VAL 52 HB VAL 52 5.093 6.769 4.169 413 HG11 VAL 52 HG11 VAL 52 2.914 7.909 4.302 414 HG12 VAL 52 HG12 VAL 52 2.184 6.454 5.021 415 HG13 VAL 52 HG13 VAL 52 3.433 7.355 5.907 416 HG21 VAL 52 HG21 VAL 52 4.802 5.353 6.172 417 HG22 VAL 52 HG22 VAL 52 3.575 4.389 5.320 418 HG23 VAL 52 HG23 VAL 52 5.265 4.367 4.766 419 H GLN 53 H GLN 53 5.122 7.025 1.151 420 HA GLN 53 HA GLN 53 3.060 9.078 0.875 421 HB2 GLN 53 HB2 GLN 53 5.509 9.573 1.029 422 HB3 GLN 53 HB3 GLN 53 5.728 8.800 -0.559 423 HG2 GLN 53 HG2 GLN 53 4.149 10.415 -1.561 424 HG3 GLN 53 HG3 GLN 53 3.869 11.146 0.030 425 HE21 GLN 53 HE21 GLN 53 6.259 13.402 -1.592 426 HE22 GLN 53 HE22 GLN 53 4.570 12.958 -1.682 427 H ALA 54 H ALA 54 4.223 6.265 -0.914 428 HA ALA 54 HA ALA 54 3.371 6.986 -3.499 429 HB1 ALA 54 HB1 ALA 54 3.453 4.569 -3.937 430 HB2 ALA 54 HB2 ALA 54 4.853 5.093 -2.976 431 HB3 ALA 54 HB3 ALA 54 3.503 4.242 -2.188 432 H VAL 55 H VAL 55 1.613 5.226 -0.871 433 HA VAL 55 HA VAL 55 -0.765 4.918 -2.470 434 HB VAL 55 HB VAL 55 -1.800 4.294 -0.287 435 HG11 VAL 55 HG11 VAL 55 -0.387 2.320 0.112 436 HG12 VAL 55 HG12 VAL 55 -0.543 2.638 -1.630 437 HG13 VAL 55 HG13 VAL 55 0.953 3.084 -0.774 438 HG21 VAL 55 HG21 VAL 55 -0.390 4.213 1.732 439 HG22 VAL 55 HG22 VAL 55 0.950 4.975 0.846 440 HG23 VAL 55 HG23 VAL 55 -0.548 5.885 1.153 441 H GLU 56 H GLU 56 0.583 7.546 -0.576 442 HA GLU 56 HA GLU 56 -1.893 8.872 -0.037 443 HB2 GLU 56 HB2 GLU 56 0.313 9.315 1.078 444 HB3 GLU 56 HB3 GLU 56 0.881 10.068 -0.428 445 HG2 GLU 56 HG2 GLU 56 -0.957 11.715 -0.298 446 HG3 GLU 56 HG3 GLU 56 -1.528 10.961 1.206 447 H GLU 57 H GLU 57 0.078 8.448 -2.909 448 HA GLU 57 HA GLU 57 -0.862 10.758 -4.334 449 HB2 GLU 57 HB2 GLU 57 1.126 9.388 -4.975 450 HB3 GLU 57 HB3 GLU 57 0.036 8.053 -5.408 451 HG2 GLU 57 HG2 GLU 57 -1.078 9.510 -7.075 452 HG3 GLU 57 HG3 GLU 57 0.008 10.843 -6.634 453 H GLU 58 H GLU 58 -2.207 7.538 -3.682 454 HA GLU 58 HA GLU 58 -4.305 7.862 -5.696 455 HB2 GLU 58 HB2 GLU 58 -3.855 5.808 -3.489 456 HB3 GLU 58 HB3 GLU 58 -5.150 5.731 -4.702 457 HG2 GLU 58 HG2 GLU 58 -2.160 5.743 -5.279 458 HG3 GLU 58 HG3 GLU 58 -3.241 4.341 -5.383 459 H GLY 59 H GLY 59 -3.730 9.042 -2.548 460 HA2 GLY 59 HA2 GLY 59 -5.213 10.655 -1.612 461 HA3 GLY 59 HA3 GLY 59 -6.580 9.859 -2.408 462 H TYR 60 H TYR 60 -4.416 7.592 -0.946 463 HA TYR 60 HA TYR 60 -6.147 7.507 1.486 464 HB2 TYR 60 HB2 TYR 60 -5.110 5.150 -0.127 465 HB3 TYR 60 HB3 TYR 60 -6.097 5.065 1.330 466 HD1 TYR 60 HD1 TYR 60 -6.071 5.422 -2.269 467 HD2 TYR 60 HD2 TYR 60 -8.478 5.842 1.264 468 HE1 TYR 60 HE1 TYR 60 -8.120 5.309 -3.664 469 HE2 TYR 60 HE2 TYR 60 -10.535 5.723 -0.113 470 HH TYR 60 HH TYR 60 -11.399 5.543 -2.226 471 H LYS 61 H LYS 61 -5.090 7.012 3.406 472 HA LYS 61 HA LYS 61 -2.137 6.838 3.313 473 HB2 LYS 61 HB2 LYS 61 -4.187 6.893 5.574 474 HB3 LYS 61 HB3 LYS 61 -2.453 6.634 5.828 475 HG2 LYS 61 HG2 LYS 61 -1.974 8.813 4.720 476 HG3 LYS 61 HG3 LYS 61 -3.729 9.115 4.617 477 HD2 LYS 61 HD2 LYS 61 -3.913 8.908 7.072 478 HD3 LYS 61 HD3 LYS 61 -2.188 8.507 7.182 479 HE2 LYS 61 HE2 LYS 61 -1.624 10.732 6.246 480 HE3 LYS 61 HE3 LYS 61 -3.351 11.141 6.198 481 HZ1 LYS 61 HZ1 LYS 61 -2.276 11.973 8.164 482 HZ2 LYS 61 HZ2 LYS 61 -3.420 10.861 8.567 483 HZ3 LYS 61 HZ3 LYS 61 -1.821 10.456 8.616 484 H ALA 62 H ALA 62 -1.204 5.071 4.787 485 HA ALA 62 HA ALA 62 -2.871 2.684 5.030 486 HB1 ALA 62 HB1 ALA 62 -1.929 2.436 2.767 487 HB2 ALA 62 HB2 ALA 62 -0.289 2.674 3.410 488 HB3 ALA 62 HB3 ALA 62 -1.236 1.244 3.887 489 H GLU 63 H GLU 63 -2.592 3.445 7.246 490 HA GLU 63 HA GLU 63 -0.122 3.971 8.448 491 HB2 GLU 63 HB2 GLU 63 -2.381 4.517 9.351 492 HB3 GLU 63 HB3 GLU 63 -2.605 2.801 9.755 493 HG2 GLU 63 HG2 GLU 63 -0.620 2.874 11.213 494 HG3 GLU 63 HG3 GLU 63 -0.333 4.568 10.772 495 H VAL 64 H VAL 64 1.595 2.732 8.739 496 HA VAL 64 HA VAL 64 1.691 -0.050 8.338 497 HB VAL 64 HB VAL 64 3.931 0.146 9.406 498 HG11 VAL 64 HG11 VAL 64 3.619 0.774 7.053 499 HG12 VAL 64 HG12 VAL 64 3.138 2.419 7.534 500 HG13 VAL 64 HG13 VAL 64 4.797 1.863 7.828 501 HG21 VAL 64 HG21 VAL 64 4.623 2.543 10.016 502 HG22 VAL 64 HG22 VAL 64 2.899 2.923 10.114 503 HG23 VAL 64 HG23 VAL 64 3.594 1.702 11.207 504 H LEU 65 H LEU 65 1.074 -1.728 9.555 505 HA LEU 65 HA LEU 65 0.027 -1.267 12.253 506 HB2 LEU 65 HB2 LEU 65 0.295 -3.774 10.543 507 HB3 LEU 65 HB3 LEU 65 -0.585 -3.671 12.078 508 HG LEU 65 HG LEU 65 -1.224 -2.102 9.554 509 HD11 LEU 65 HD11 LEU 65 -1.721 -4.773 10.101 510 HD12 LEU 65 HD12 LEU 65 -3.201 -3.990 10.662 511 HD13 LEU 65 HD13 LEU 65 -2.673 -3.754 8.980 512 HD21 LEU 65 HD21 LEU 65 -3.305 -1.478 10.765 513 HD22 LEU 65 HD22 LEU 65 -2.684 -2.284 12.224 514 HD23 LEU 65 HD23 LEU 65 -1.856 -0.848 11.576 515 H ALA 66 H ALA 66 2.944 -0.852 11.834 516 HA ALA 66 HA ALA 66 3.882 -2.831 13.815 517 HB1 ALA 66 HB1 ALA 66 4.502 -3.766 11.616 518 HB2 ALA 66 HB2 ALA 66 5.308 -2.238 11.188 519 HB3 ALA 66 HB3 ALA 66 5.940 -3.235 12.520 Start of MODEL 6 1 H1 MET 1 H MET 1 8.448 -6.095 8.463 2 HA MET 1 HA MET 1 9.550 -3.401 8.019 3 HB2 MET 1 HB2 MET 1 9.976 -5.294 6.286 4 HB3 MET 1 HB3 MET 1 8.294 -4.985 5.790 5 HG2 MET 1 HG2 MET 1 8.845 -2.593 5.470 6 HG3 MET 1 HG3 MET 1 10.468 -2.872 6.103 7 HE1 MET 1 HE1 MET 1 11.338 -1.533 4.320 8 HE2 MET 1 HE2 MET 1 11.497 -1.987 2.600 9 HE3 MET 1 HE3 MET 1 9.963 -1.335 3.222 10 H LEU 2 H LEU 2 7.562 -2.624 6.097 11 HA LEU 2 HA LEU 2 5.584 -1.730 8.028 12 HB2 LEU 2 HB2 LEU 2 5.863 -1.205 5.040 13 HB3 LEU 2 HB3 LEU 2 4.822 -0.319 6.174 14 HG LEU 2 HG LEU 2 7.868 -0.450 6.225 15 HD11 LEU 2 HD11 LEU 2 6.969 1.045 4.510 16 HD12 LEU 2 HD12 LEU 2 5.885 1.803 5.702 17 HD13 LEU 2 HD13 LEU 2 7.644 2.002 5.846 18 HD21 LEU 2 HD21 LEU 2 7.023 -0.409 8.524 19 HD22 LEU 2 HD22 LEU 2 7.671 1.186 8.095 20 HD23 LEU 2 HD23 LEU 2 5.915 0.921 8.120 21 H LYS 3 H LYS 3 3.282 -1.692 7.502 22 HA LYS 3 HA LYS 3 2.240 -4.152 6.217 23 HB2 LYS 3 HB2 LYS 3 2.838 -3.751 9.044 24 HB3 LYS 3 HB3 LYS 3 1.086 -3.926 8.817 25 HG2 LYS 3 HG2 LYS 3 1.333 -6.045 7.731 26 HG3 LYS 3 HG3 LYS 3 3.090 -5.809 7.545 27 HD2 LYS 3 HD2 LYS 3 3.308 -5.777 10.036 28 HD3 LYS 3 HD3 LYS 3 1.591 -6.229 10.163 29 HE2 LYS 3 HE2 LYS 3 2.015 -8.309 8.932 30 HE3 LYS 3 HE3 LYS 3 3.671 -7.780 8.577 31 HZ1 LYS 3 HZ1 LYS 3 4.208 -8.884 10.359 32 HZ2 LYS 3 HZ2 LYS 3 3.579 -7.646 11.226 33 HZ3 LYS 3 HZ3 LYS 3 2.654 -8.979 10.940 34 H LEU 4 H LEU 4 1.364 -2.565 4.777 35 HA LEU 4 HA LEU 4 0.236 -0.103 5.788 36 HB2 LEU 4 HB2 LEU 4 0.906 -1.399 3.171 37 HB3 LEU 4 HB3 LEU 4 -0.355 -0.158 3.147 38 HG LEU 4 HG LEU 4 1.179 1.404 4.351 39 HD11 LEU 4 HD11 LEU 4 3.227 -0.798 3.873 40 HD12 LEU 4 HD12 LEU 4 3.578 0.842 4.473 41 HD13 LEU 4 HD13 LEU 4 2.608 -0.274 5.457 42 HD21 LEU 4 HD21 LEU 4 0.997 1.407 1.877 43 HD22 LEU 4 HD22 LEU 4 2.631 1.852 2.416 44 HD23 LEU 4 HD23 LEU 4 2.315 0.217 1.785 45 H LYS 5 H LYS 5 -1.695 0.041 6.628 46 HA LYS 5 HA LYS 5 -3.939 -1.639 5.683 47 HB2 LYS 5 HB2 LYS 5 -3.510 -1.403 8.130 48 HB3 LYS 5 HB3 LYS 5 -3.661 0.358 7.965 49 HG2 LYS 5 HG2 LYS 5 -5.996 -0.077 6.990 50 HG3 LYS 5 HG3 LYS 5 -5.829 -1.742 7.593 51 HD2 LYS 5 HD2 LYS 5 -5.501 -0.898 9.877 52 HD3 LYS 5 HD3 LYS 5 -5.480 0.779 9.281 53 HE2 LYS 5 HE2 LYS 5 -7.799 0.514 8.457 54 HE3 LYS 5 HE3 LYS 5 -7.835 -1.143 9.093 55 HZ1 LYS 5 HZ1 LYS 5 -7.406 1.278 10.703 56 HZ2 LYS 5 HZ2 LYS 5 -8.832 0.459 10.579 57 HZ3 LYS 5 HZ3 LYS 5 -7.525 -0.266 11.273 58 H VAL 6 H VAL 6 -4.590 -0.730 3.711 59 HA VAL 6 HA VAL 6 -4.504 2.029 3.122 60 HB VAL 6 HB VAL 6 -6.342 -0.104 1.959 61 HG11 VAL 6 HG11 VAL 6 -5.244 2.513 0.836 62 HG12 VAL 6 HG12 VAL 6 -6.241 1.339 -0.056 63 HG13 VAL 6 HG13 VAL 6 -6.929 2.221 1.326 64 HG21 VAL 6 HG21 VAL 6 -4.543 -0.395 0.281 65 HG22 VAL 6 HG22 VAL 6 -3.521 0.755 1.175 66 HG23 VAL 6 HG23 VAL 6 -3.964 -0.804 1.910 67 H GLU 7 H GLU 7 -5.580 3.623 4.045 68 HA GLU 7 HA GLU 7 -7.874 3.233 5.713 69 HB2 GLU 7 HB2 GLU 7 -6.089 5.006 5.950 70 HB3 GLU 7 HB3 GLU 7 -6.770 5.809 4.519 71 HG2 GLU 7 HG2 GLU 7 -7.659 6.811 6.582 72 HG3 GLU 7 HG3 GLU 7 -8.959 5.996 5.695 73 H GLY 8 H GLY 8 -10.027 4.061 5.381 74 HA2 GLY 8 HA2 GLY 8 -10.876 3.913 2.550 75 HA3 GLY 8 HA3 GLY 8 -11.906 3.750 3.984 76 H MET 9 H MET 9 -9.559 6.285 2.853 77 HA MET 9 HA MET 9 -11.161 8.382 3.958 78 HB2 MET 9 HB2 MET 9 -8.887 8.384 1.936 79 HB3 MET 9 HB3 MET 9 -9.607 9.851 2.638 80 HG2 MET 9 HG2 MET 9 -9.088 9.009 4.906 81 HG3 MET 9 HG3 MET 9 -8.300 7.592 4.199 82 HE1 MET 9 HE1 MET 9 -5.493 9.915 5.814 83 HE2 MET 9 HE2 MET 9 -7.179 9.729 6.341 84 HE3 MET 9 HE3 MET 9 -6.237 8.299 5.857 85 H THR 10 H THR 10 -10.895 7.047 0.605 86 HA THR 10 HA THR 10 -13.383 8.554 0.003 87 HB THR 10 HB THR 10 -12.441 9.128 -2.230 88 HG1 THR 10 HG1 THR 10 -10.193 8.888 -2.483 89 HG21 THR 10 HG21 THR 10 -12.355 10.773 -0.373 90 HG22 THR 10 HG22 THR 10 -10.760 10.139 0.103 91 HG23 THR 10 HG23 THR 10 -10.966 10.940 -1.470 92 H CYS 11 H CYS 11 -14.485 7.752 -1.942 93 HA CYS 11 HA CYS 11 -15.544 6.013 -2.969 94 HB2 CYS 11 HB2 CYS 11 -12.655 5.571 -3.798 95 HB3 CYS 11 HB3 CYS 11 -14.095 5.012 -4.684 96 HG CYS 11 HG CYS 11 -15.174 7.365 -4.966 97 H ASN 12 H ASN 12 -14.903 5.220 -0.205 98 HA ASN 12 HA ASN 12 -13.753 2.595 -0.258 99 HB2 ASN 12 HB2 ASN 12 -14.514 2.439 2.025 100 HB3 ASN 12 HB3 ASN 12 -13.888 4.073 1.753 101 HD21 ASN 12 HD21 ASN 12 -17.500 3.696 3.333 102 HD22 ASN 12 HD22 ASN 12 -16.241 2.479 3.347 103 H HIS 13 H HIS 13 -16.703 3.724 -1.493 104 HA HIS 13 HA HIS 13 -18.348 1.441 -0.792 105 HB2 HIS 13 HB2 HIS 13 -18.626 3.474 -3.036 106 HB3 HIS 13 HB3 HIS 13 -19.897 2.404 -2.428 107 HD1 HIS 13 HD1 HIS 13 -19.462 5.819 -2.282 108 HD2 HIS 13 HD2 HIS 13 -19.618 2.852 0.700 109 HE1 HIS 13 HE1 HIS 13 -20.123 6.995 -0.105 110 H CYS 14 H CYS 14 -15.745 1.956 -2.964 111 HA CYS 14 HA CYS 14 -16.492 -0.486 -4.476 112 HB2 CYS 14 HB2 CYS 14 -15.260 2.055 -5.612 113 HB3 CYS 14 HB3 CYS 14 -15.537 0.540 -6.507 114 HG CYS 14 HG CYS 14 -17.338 2.293 -7.189 115 H VAL 15 H VAL 15 -14.272 -0.988 -5.870 116 HA VAL 15 HA VAL 15 -12.004 -0.781 -3.960 117 HB VAL 15 HB VAL 15 -13.136 -2.958 -3.687 118 HG11 VAL 15 HG11 VAL 15 -13.141 -4.579 -5.550 119 HG12 VAL 15 HG12 VAL 15 -14.104 -3.140 -5.955 120 HG13 VAL 15 HG13 VAL 15 -12.473 -3.341 -6.637 121 HG21 VAL 15 HG21 VAL 15 -11.185 -4.387 -4.021 122 HG22 VAL 15 HG22 VAL 15 -10.487 -3.226 -5.170 123 HG23 VAL 15 HG23 VAL 15 -10.659 -2.787 -3.453 124 H MET 16 H MET 16 -9.901 -0.992 -4.957 125 HA MET 16 HA MET 16 -9.807 -0.873 -7.905 126 HB2 MET 16 HB2 MET 16 -8.657 1.269 -6.064 127 HB3 MET 16 HB3 MET 16 -8.376 1.151 -7.813 128 HG2 MET 16 HG2 MET 16 -10.815 1.361 -8.206 129 HG3 MET 16 HG3 MET 16 -11.072 1.535 -6.464 130 HE1 MET 16 HE1 MET 16 -9.335 4.947 -5.666 131 HE2 MET 16 HE2 MET 16 -10.220 3.546 -5.018 132 HE3 MET 16 HE3 MET 16 -8.559 3.349 -5.624 133 H ALA 17 H ALA 17 -7.549 -1.132 -8.681 134 HA ALA 17 HA ALA 17 -6.104 -3.035 -7.012 135 HB1 ALA 17 HB1 ALA 17 -6.297 -3.329 -9.461 136 HB2 ALA 17 HB2 ALA 17 -5.450 -1.786 -9.716 137 HB3 ALA 17 HB3 ALA 17 -4.596 -3.155 -8.968 138 H VAL 18 H VAL 18 -5.435 -1.807 -5.186 139 HA VAL 18 HA VAL 18 -4.050 0.683 -5.424 140 HB VAL 18 HB VAL 18 -4.008 -1.388 -3.188 141 HG11 VAL 18 HG11 VAL 18 -3.444 1.611 -3.222 142 HG12 VAL 18 HG12 VAL 18 -3.543 0.601 -1.760 143 HG13 VAL 18 HG13 VAL 18 -2.247 0.324 -2.942 144 HG21 VAL 18 HG21 VAL 18 -5.837 0.994 -3.688 145 HG22 VAL 18 HG22 VAL 18 -6.305 -0.718 -3.789 146 HG23 VAL 18 HG23 VAL 18 -5.835 -0.018 -2.225 147 H THR 19 H THR 19 -3.137 -2.565 -6.078 148 HA THR 19 HA THR 19 -0.486 -2.730 -5.352 149 HB THR 19 HB THR 19 -1.745 -3.658 -7.960 150 HG1 THR 19 HG1 THR 19 -2.229 -5.513 -6.714 151 HG21 THR 19 HG21 THR 19 0.529 -4.839 -6.312 152 HG22 THR 19 HG22 THR 19 -0.101 -5.460 -7.851 153 HG23 THR 19 HG23 THR 19 0.742 -3.897 -7.813 154 H LYS 20 H LYS 20 -1.911 -0.973 -8.119 155 HA LYS 20 HA LYS 20 0.512 -0.466 -9.507 156 HB2 LYS 20 HB2 LYS 20 -2.069 1.148 -9.379 157 HB3 LYS 20 HB3 LYS 20 -0.810 1.305 -10.622 158 HG2 LYS 20 HG2 LYS 20 -1.181 -1.043 -11.304 159 HG3 LYS 20 HG3 LYS 20 -2.443 -1.208 -10.058 160 HD2 LYS 20 HD2 LYS 20 -3.740 0.606 -11.128 161 HD3 LYS 20 HD3 LYS 20 -2.474 0.784 -12.364 162 HE2 LYS 20 HE2 LYS 20 -2.841 -1.575 -13.057 163 HE3 LYS 20 HE3 LYS 20 -4.132 -1.720 -11.846 164 HZ1 LYS 20 HZ1 LYS 20 -5.304 0.027 -12.992 165 HZ2 LYS 20 HZ2 LYS 20 -4.105 0.140 -14.119 166 HZ3 LYS 20 HZ3 LYS 20 -5.003 -1.236 -14.008 167 H ALA 21 H ALA 21 -0.808 0.986 -6.580 168 HA ALA 21 HA ALA 21 0.683 3.469 -6.921 169 HB1 ALA 21 HB1 ALA 21 -0.757 2.286 -4.514 170 HB2 ALA 21 HB2 ALA 21 -0.165 3.956 -4.664 171 HB3 ALA 21 HB3 ALA 21 -1.473 3.379 -5.722 172 H LEU 22 H LEU 22 1.240 0.280 -5.503 173 HA LEU 22 HA LEU 22 3.409 1.237 -3.795 174 HB2 LEU 22 HB2 LEU 22 2.259 -1.485 -4.511 175 HB3 LEU 22 HB3 LEU 22 3.749 -1.312 -3.573 176 HG LEU 22 HG LEU 22 1.931 -1.615 -2.046 177 HD11 LEU 22 HD11 LEU 22 3.764 0.051 -1.514 178 HD12 LEU 22 HD12 LEU 22 2.637 1.341 -1.984 179 HD13 LEU 22 HD13 LEU 22 2.245 0.285 -0.611 180 HD21 LEU 22 HD21 LEU 22 0.097 -0.805 -3.514 181 HD22 LEU 22 HD22 LEU 22 0.032 -0.101 -1.883 182 HD23 LEU 22 HD23 LEU 22 0.639 0.869 -3.239 183 H LYS 23 H LYS 23 3.071 -0.289 -7.007 184 HA LYS 23 HA LYS 23 5.748 -1.167 -7.214 185 HB2 LYS 23 HB2 LYS 23 3.765 -1.802 -8.658 186 HB3 LYS 23 HB3 LYS 23 3.985 -0.258 -9.514 187 HG2 LYS 23 HG2 LYS 23 6.323 -0.916 -10.051 188 HG3 LYS 23 HG3 LYS 23 6.089 -2.452 -9.187 189 HD2 LYS 23 HD2 LYS 23 4.323 -3.097 -10.772 190 HD3 LYS 23 HD3 LYS 23 4.472 -1.527 -11.599 191 HE2 LYS 23 HE2 LYS 23 6.846 -2.040 -12.118 192 HE3 LYS 23 HE3 LYS 23 6.666 -3.626 -11.341 193 HZ1 LYS 23 HZ1 LYS 23 5.150 -2.683 -13.676 194 HZ2 LYS 23 HZ2 LYS 23 6.407 -3.749 -13.712 195 HZ3 LYS 23 HZ3 LYS 23 5.000 -4.162 -12.963 196 H LYS 24 H LYS 24 4.408 2.074 -7.475 197 HA LYS 24 HA LYS 24 6.480 3.119 -9.166 198 HB2 LYS 24 HB2 LYS 24 4.722 4.544 -7.126 199 HB3 LYS 24 HB3 LYS 24 5.656 5.307 -8.428 200 HG2 LYS 24 HG2 LYS 24 4.335 3.937 -10.088 201 HG3 LYS 24 HG3 LYS 24 3.312 3.389 -8.736 202 HD2 LYS 24 HD2 LYS 24 2.797 5.777 -8.205 203 HD3 LYS 24 HD3 LYS 24 3.784 6.276 -9.595 204 HE2 LYS 24 HE2 LYS 24 2.289 4.913 -11.079 205 HE3 LYS 24 HE3 LYS 24 1.260 4.578 -9.670 206 HZ1 LYS 24 HZ1 LYS 24 0.947 6.953 -9.445 207 HZ2 LYS 24 HZ2 LYS 24 1.863 7.231 -10.786 208 HZ3 LYS 24 HZ3 LYS 24 0.431 6.420 -10.917 209 H VAL 25 H VAL 25 6.491 2.156 -5.823 210 HA VAL 25 HA VAL 25 8.463 4.119 -4.980 211 HB VAL 25 HB VAL 25 7.346 1.571 -3.763 212 HG11 VAL 25 HG11 VAL 25 8.417 2.308 -1.663 213 HG12 VAL 25 HG12 VAL 25 9.625 1.958 -2.920 214 HG13 VAL 25 HG13 VAL 25 9.206 3.644 -2.535 215 HG21 VAL 25 HG21 VAL 25 6.171 3.162 -2.288 216 HG22 VAL 25 HG22 VAL 25 6.923 4.526 -3.147 217 HG23 VAL 25 HG23 VAL 25 5.772 3.464 -3.993 218 HA PRO 26 HA PRO 26 11.941 1.951 -6.749 219 HB2 PRO 26 HB2 PRO 26 13.356 3.528 -4.610 220 HB3 PRO 26 HB3 PRO 26 13.778 3.373 -6.348 221 HG2 PRO 26 HG2 PRO 26 12.587 5.627 -5.438 222 HG3 PRO 26 HG3 PRO 26 12.030 4.875 -6.974 223 HD2 PRO 26 HD2 PRO 26 10.798 4.639 -4.218 224 HD3 PRO 26 HD3 PRO 26 9.995 4.933 -5.794 225 H GLY 27 H GLY 27 13.067 0.080 -6.184 226 HA2 GLY 27 HA2 GLY 27 14.229 -1.351 -4.746 227 HA3 GLY 27 HA3 GLY 27 13.567 -0.494 -3.345 228 H VAL 28 H VAL 28 10.785 -0.740 -4.782 229 HA VAL 28 HA VAL 28 10.021 -3.146 -3.363 230 HB VAL 28 HB VAL 28 8.562 -1.247 -5.245 231 HG11 VAL 28 HG11 VAL 28 7.520 -3.471 -5.354 232 HG12 VAL 28 HG12 VAL 28 7.476 -3.544 -3.574 233 HG13 VAL 28 HG13 VAL 28 6.492 -2.342 -4.445 234 HG21 VAL 28 HG21 VAL 28 8.499 -1.654 -2.223 235 HG22 VAL 28 HG22 VAL 28 9.214 -0.271 -3.085 236 HG23 VAL 28 HG23 VAL 28 7.457 -0.533 -3.132 237 H GLU 29 H GLU 29 10.140 -5.192 -4.132 238 HA GLU 29 HA GLU 29 9.782 -5.552 -7.057 239 HB2 GLU 29 HB2 GLU 29 12.189 -5.795 -6.427 240 HB3 GLU 29 HB3 GLU 29 11.734 -7.136 -5.350 241 HG2 GLU 29 HG2 GLU 29 10.732 -8.325 -7.288 242 HG3 GLU 29 HG3 GLU 29 11.198 -6.981 -8.350 243 H LYS 30 H LYS 30 9.258 -6.610 -3.737 244 HA LYS 30 HA LYS 30 7.125 -8.400 -4.775 245 HB2 LYS 30 HB2 LYS 30 9.175 -8.986 -2.622 246 HB3 LYS 30 HB3 LYS 30 7.574 -9.754 -2.638 247 HG2 LYS 30 HG2 LYS 30 8.002 -10.433 -5.036 248 HG3 LYS 30 HG3 LYS 30 9.696 -9.935 -4.808 249 HD2 LYS 30 HD2 LYS 30 9.952 -11.546 -2.982 250 HD3 LYS 30 HD3 LYS 30 8.212 -11.907 -3.014 251 HE2 LYS 30 HE2 LYS 30 8.443 -12.743 -5.346 252 HE3 LYS 30 HE3 LYS 30 10.197 -12.480 -5.248 253 HZ1 LYS 30 HZ1 LYS 30 10.268 -14.036 -3.443 254 HZ2 LYS 30 HZ2 LYS 30 8.637 -14.255 -3.499 255 HZ3 LYS 30 HZ3 LYS 30 9.580 -14.742 -4.762 256 H VAL 31 H VAL 31 5.222 -8.112 -3.980 257 HA VAL 31 HA VAL 31 4.786 -6.786 -1.389 258 HB VAL 31 HB VAL 31 3.605 -5.866 -4.042 259 HG11 VAL 31 HG11 VAL 31 3.093 -4.798 -1.240 260 HG12 VAL 31 HG12 VAL 31 2.418 -4.156 -2.752 261 HG13 VAL 31 HG13 VAL 31 1.956 -5.778 -2.195 262 HG21 VAL 31 HG21 VAL 31 5.212 -4.177 -2.110 263 HG22 VAL 31 HG22 VAL 31 5.976 -5.072 -3.459 264 HG23 VAL 31 HG23 VAL 31 4.759 -3.819 -3.778 265 H GLU 32 H GLU 32 2.781 -7.486 -0.494 266 HA GLU 32 HA GLU 32 1.178 -9.360 -2.150 267 HB2 GLU 32 HB2 GLU 32 2.790 -10.659 -0.786 268 HB3 GLU 32 HB3 GLU 32 2.178 -9.872 0.683 269 HG2 GLU 32 HG2 GLU 32 -0.051 -10.814 0.299 270 HG3 GLU 32 HG3 GLU 32 0.480 -11.504 -1.248 271 H VAL 33 H VAL 33 -0.929 -8.734 -2.088 272 HA VAL 33 HA VAL 33 -1.744 -7.124 0.280 273 HB VAL 33 HB VAL 33 -2.835 -5.542 -1.168 274 HG11 VAL 33 HG11 VAL 33 -0.369 -5.287 -0.791 275 HG12 VAL 33 HG12 VAL 33 -0.079 -6.167 -2.307 276 HG13 VAL 33 HG13 VAL 33 -0.904 -4.597 -2.342 277 HG21 VAL 33 HG21 VAL 33 -1.917 -7.312 -3.476 278 HG22 VAL 33 HG22 VAL 33 -3.598 -7.087 -2.935 279 HG23 VAL 33 HG23 VAL 33 -2.700 -5.723 -3.636 280 H SER 34 H SER 34 -3.986 -7.053 0.725 281 HA SER 34 HA SER 34 -5.578 -9.208 -0.572 282 HB2 SER 34 HB2 SER 34 -4.775 -9.925 1.663 283 HB3 SER 34 HB3 SER 34 -5.565 -8.506 2.390 284 HG SER 34 HG SER 34 -6.789 -10.542 2.340 285 H LEU 35 H LEU 35 -6.887 -8.033 -1.837 286 HA LEU 35 HA LEU 35 -7.607 -5.348 -1.386 287 HB2 LEU 35 HB2 LEU 35 -9.096 -7.421 -3.034 288 HB3 LEU 35 HB3 LEU 35 -9.108 -5.665 -3.271 289 HG LEU 35 HG LEU 35 -6.667 -7.475 -3.557 290 HD11 LEU 35 HD11 LEU 35 -6.923 -7.034 -5.966 291 HD12 LEU 35 HD12 LEU 35 -8.375 -7.826 -5.314 292 HD13 LEU 35 HD13 LEU 35 -8.390 -6.078 -5.645 293 HD21 LEU 35 HD21 LEU 35 -5.605 -5.476 -4.545 294 HD22 LEU 35 HD22 LEU 35 -7.073 -4.527 -4.219 295 HD23 LEU 35 HD23 LEU 35 -6.100 -5.157 -2.868 296 H GLU 36 H GLU 36 -8.910 -8.257 0.020 297 HA GLU 36 HA GLU 36 -11.562 -7.091 0.460 298 HB2 GLU 36 HB2 GLU 36 -10.250 -9.656 1.439 299 HB3 GLU 36 HB3 GLU 36 -11.956 -9.216 1.682 300 HG2 GLU 36 HG2 GLU 36 -12.285 -9.094 -0.761 301 HG3 GLU 36 HG3 GLU 36 -10.577 -9.496 -1.023 302 H LYS 37 H LYS 37 -8.499 -7.486 2.235 303 HA LYS 37 HA LYS 37 -9.824 -6.386 4.654 304 HB2 LYS 37 HB2 LYS 37 -7.166 -7.827 4.303 305 HB3 LYS 37 HB3 LYS 37 -7.718 -7.051 5.801 306 HG2 LYS 37 HG2 LYS 37 -8.540 -9.117 6.237 307 HG3 LYS 37 HG3 LYS 37 -9.923 -8.506 5.313 308 HD2 LYS 37 HD2 LYS 37 -9.005 -9.604 3.274 309 HD3 LYS 37 HD3 LYS 37 -7.610 -10.178 4.222 310 HE2 LYS 37 HE2 LYS 37 -9.169 -11.410 5.736 311 HE3 LYS 37 HE3 LYS 37 -10.529 -10.830 4.756 312 HZ1 LYS 37 HZ1 LYS 37 -8.613 -12.886 4.168 313 HZ2 LYS 37 HZ2 LYS 37 -10.196 -12.778 3.789 314 HZ3 LYS 37 HZ3 LYS 37 -9.101 -11.943 2.887 315 H GLY 38 H GLY 38 -7.980 -5.389 1.963 316 HA2 GLY 38 HA2 GLY 38 -7.139 -3.315 1.473 317 HA3 GLY 38 HA3 GLY 38 -7.786 -2.730 3.015 318 H GLU 39 H GLU 39 -5.610 -5.503 3.072 319 HA GLU 39 HA GLU 39 -3.567 -3.743 4.346 320 HB2 GLU 39 HB2 GLU 39 -3.985 -6.760 4.419 321 HB3 GLU 39 HB3 GLU 39 -2.682 -5.874 5.245 322 HG2 GLU 39 HG2 GLU 39 -4.399 -4.554 6.482 323 HG3 GLU 39 HG3 GLU 39 -5.673 -5.515 5.706 324 H ALA 40 H ALA 40 -1.346 -4.040 3.820 325 HA ALA 40 HA ALA 40 -0.742 -5.443 1.306 326 HB1 ALA 40 HB1 ALA 40 0.037 -3.490 0.182 327 HB2 ALA 40 HB2 ALA 40 -1.554 -3.076 0.824 328 HB3 ALA 40 HB3 ALA 40 -0.103 -2.491 1.664 329 H LEU 41 H LEU 41 0.961 -6.648 1.795 330 HA LEU 41 HA LEU 41 2.939 -5.719 3.806 331 HB2 LEU 41 HB2 LEU 41 2.582 -8.380 2.345 332 HB3 LEU 41 HB3 LEU 41 3.790 -8.039 3.586 333 HG LEU 41 HG LEU 41 2.092 -9.250 4.666 334 HD11 LEU 41 HD11 LEU 41 2.894 -7.259 5.908 335 HD12 LEU 41 HD12 LEU 41 1.532 -6.315 5.253 336 HD13 LEU 41 HD13 LEU 41 1.222 -7.692 6.334 337 HD21 LEU 41 HD21 LEU 41 -0.271 -8.755 4.599 338 HD22 LEU 41 HD22 LEU 41 0.000 -7.311 3.609 339 HD23 LEU 41 HD23 LEU 41 0.324 -8.926 2.933 340 H VAL 42 H VAL 42 5.221 -5.688 3.258 341 HA VAL 42 HA VAL 42 5.804 -5.838 0.351 342 HB VAL 42 HB VAL 42 7.168 -3.808 0.524 343 HG11 VAL 42 HG11 VAL 42 5.390 -2.248 0.414 344 HG12 VAL 42 HG12 VAL 42 4.672 -3.794 -0.056 345 HG13 VAL 42 HG13 VAL 42 4.400 -3.170 1.588 346 HG21 VAL 42 HG21 VAL 42 5.997 -3.550 3.328 347 HG22 VAL 42 HG22 VAL 42 7.696 -3.907 2.944 348 HG23 VAL 42 HG23 VAL 42 6.997 -2.336 2.498 349 H GLU 43 H GLU 43 7.968 -6.470 -0.148 350 HA GLU 43 HA GLU 43 9.712 -7.010 2.173 351 HB2 GLU 43 HB2 GLU 43 8.339 -9.059 1.657 352 HB3 GLU 43 HB3 GLU 43 9.118 -9.122 0.065 353 HG2 GLU 43 HG2 GLU 43 11.325 -9.329 1.145 354 HG3 GLU 43 HG3 GLU 43 10.588 -9.111 2.739 355 H GLY 44 H GLY 44 10.346 -4.888 0.923 356 HA2 GLY 44 HA2 GLY 44 12.410 -5.651 -1.077 357 HA3 GLY 44 HA3 GLY 44 11.283 -4.317 -1.394 358 H THR 45 H THR 45 13.634 -3.399 -1.585 359 HA THR 45 HA THR 45 14.765 -2.591 1.025 360 HB THR 45 HB THR 45 16.647 -1.822 -0.451 361 HG1 THR 45 HG1 THR 45 16.493 -2.525 -2.649 362 HG21 THR 45 HG21 THR 45 15.728 -4.693 -0.910 363 HG22 THR 45 HG22 THR 45 17.388 -4.081 -1.101 364 HG23 THR 45 HG23 THR 45 16.629 -4.104 0.508 365 H ALA 46 H ALA 46 12.176 -1.426 -0.140 366 HA ALA 46 HA ALA 46 12.897 1.182 -1.149 367 HB1 ALA 46 HB1 ALA 46 10.472 1.611 -0.924 368 HB2 ALA 46 HB2 ALA 46 10.784 0.049 -1.719 369 HB3 ALA 46 HB3 ALA 46 10.288 0.095 -0.010 370 H ASP 47 H ASP 47 12.151 3.222 -0.100 371 HA ASP 47 HA ASP 47 13.052 3.332 2.671 372 HB2 ASP 47 HB2 ASP 47 13.532 5.036 0.823 373 HB3 ASP 47 HB3 ASP 47 11.848 5.564 0.995 374 HA PRO 48 HA PRO 48 9.027 2.756 4.421 375 HB2 PRO 48 HB2 PRO 48 10.142 4.657 6.485 376 HB3 PRO 48 HB3 PRO 48 9.273 3.109 6.750 377 HG2 PRO 48 HG2 PRO 48 11.964 3.194 6.988 378 HG3 PRO 48 HG3 PRO 48 11.195 1.843 6.085 379 HD2 PRO 48 HD2 PRO 48 12.509 4.332 4.977 380 HD3 PRO 48 HD3 PRO 48 12.647 2.633 4.421 381 H LYS 49 H LYS 49 10.485 6.016 4.163 382 HA LYS 49 HA LYS 49 8.018 7.425 4.641 383 HB2 LYS 49 HB2 LYS 49 10.616 8.322 3.329 384 HB3 LYS 49 HB3 LYS 49 9.354 9.387 3.988 385 HG2 LYS 49 HG2 LYS 49 9.730 8.498 6.242 386 HG3 LYS 49 HG3 LYS 49 10.891 7.309 5.610 387 HD2 LYS 49 HD2 LYS 49 12.342 9.159 4.812 388 HD3 LYS 49 HD3 LYS 49 11.219 10.336 5.539 389 HE2 LYS 49 HE2 LYS 49 11.578 9.332 7.757 390 HE3 LYS 49 HE3 LYS 49 12.624 8.087 7.043 391 HZ1 LYS 49 HZ1 LYS 49 14.125 9.818 6.373 392 HZ2 LYS 49 HZ2 LYS 49 13.166 10.973 7.053 393 HZ3 LYS 49 HZ3 LYS 49 13.899 9.840 8.004 394 H ALA 50 H ALA 50 9.637 6.109 1.763 395 HA ALA 50 HA ALA 50 8.046 7.691 -0.085 396 HB1 ALA 50 HB1 ALA 50 10.297 6.849 -0.661 397 HB2 ALA 50 HB2 ALA 50 9.721 5.174 -0.482 398 HB3 ALA 50 HB3 ALA 50 9.069 6.206 -1.777 399 H LEU 51 H LEU 51 7.870 4.477 1.440 400 HA LEU 51 HA LEU 51 5.876 3.403 -0.259 401 HB2 LEU 51 HB2 LEU 51 7.409 2.271 1.517 402 HB3 LEU 51 HB3 LEU 51 6.152 2.745 2.679 403 HG LEU 51 HG LEU 51 4.479 1.594 1.089 404 HD11 LEU 51 HD11 LEU 51 5.496 -0.169 -0.366 405 HD12 LEU 51 HD12 LEU 51 5.938 1.467 -0.901 406 HD13 LEU 51 HD13 LEU 51 7.108 0.479 0.004 407 HD21 LEU 51 HD21 LEU 51 5.342 0.643 3.246 408 HD22 LEU 51 HD22 LEU 51 4.942 -0.602 2.035 409 HD23 LEU 51 HD23 LEU 51 6.639 -0.152 2.333 410 H VAL 52 H VAL 52 5.673 5.201 2.839 411 HA VAL 52 HA VAL 52 2.834 5.035 3.095 412 HB VAL 52 HB VAL 52 4.919 6.974 4.188 413 HG11 VAL 52 HG11 VAL 52 2.753 6.777 5.977 414 HG12 VAL 52 HG12 VAL 52 3.186 8.190 4.974 415 HG13 VAL 52 HG13 VAL 52 2.001 6.999 4.395 416 HG21 VAL 52 HG21 VAL 52 4.747 5.565 6.202 417 HG22 VAL 52 HG22 VAL 52 3.547 4.532 5.391 418 HG23 VAL 52 HG23 VAL 52 5.222 4.585 4.797 419 H GLN 53 H GLN 53 4.957 7.083 1.154 420 HA GLN 53 HA GLN 53 2.874 9.102 0.798 421 HB2 GLN 53 HB2 GLN 53 5.324 9.620 0.946 422 HB3 GLN 53 HB3 GLN 53 5.546 8.813 -0.626 423 HG2 GLN 53 HG2 GLN 53 3.964 10.387 -1.665 424 HG3 GLN 53 HG3 GLN 53 3.642 11.136 -0.088 425 HE21 GLN 53 HE21 GLN 53 5.995 13.466 -1.588 426 HE22 GLN 53 HE22 GLN 53 4.312 12.995 -1.698 427 H ALA 54 H ALA 54 4.106 6.241 -0.881 428 HA ALA 54 HA ALA 54 3.229 6.828 -3.474 429 HB1 ALA 54 HB1 ALA 54 2.883 4.017 -2.677 430 HB2 ALA 54 HB2 ALA 54 3.944 4.737 -3.893 431 HB3 ALA 54 HB3 ALA 54 4.459 4.711 -2.191 432 H VAL 55 H VAL 55 1.463 5.209 -0.777 433 HA VAL 55 HA VAL 55 -0.950 4.892 -2.337 434 HB VAL 55 HB VAL 55 -1.940 4.340 -0.090 435 HG11 VAL 55 HG11 VAL 55 -1.167 2.329 -0.784 436 HG12 VAL 55 HG12 VAL 55 0.360 3.028 -1.399 437 HG13 VAL 55 HG13 VAL 55 0.187 2.603 0.318 438 HG21 VAL 55 HG21 VAL 55 -0.435 4.264 1.856 439 HG22 VAL 55 HG22 VAL 55 0.889 4.942 0.886 440 HG23 VAL 55 HG23 VAL 55 -0.554 5.923 1.237 441 H GLU 56 H GLU 56 0.504 7.523 -0.542 442 HA GLU 56 HA GLU 56 -1.936 8.906 0.056 443 HB2 GLU 56 HB2 GLU 56 0.294 9.301 1.135 444 HB3 GLU 56 HB3 GLU 56 0.861 10.029 -0.383 445 HG2 GLU 56 HG2 GLU 56 -0.921 11.735 -0.232 446 HG3 GLU 56 HG3 GLU 56 -1.498 10.999 1.279 447 H GLU 57 H GLU 57 -0.034 8.419 -2.854 448 HA GLU 57 HA GLU 57 -1.004 10.723 -4.281 449 HB2 GLU 57 HB2 GLU 57 0.995 9.386 -4.947 450 HB3 GLU 57 HB3 GLU 57 -0.076 8.024 -5.349 451 HG2 GLU 57 HG2 GLU 57 -1.252 9.432 -7.005 452 HG3 GLU 57 HG3 GLU 57 -0.217 10.809 -6.581 453 H GLU 58 H GLU 58 -2.343 7.577 -3.442 454 HA GLU 58 HA GLU 58 -4.498 7.782 -5.425 455 HB2 GLU 58 HB2 GLU 58 -3.950 5.874 -3.114 456 HB3 GLU 58 HB3 GLU 58 -5.344 5.747 -4.207 457 HG2 GLU 58 HG2 GLU 58 -2.430 5.688 -5.081 458 HG3 GLU 58 HG3 GLU 58 -3.475 4.267 -4.896 459 H GLY 59 H GLY 59 -3.745 9.128 -2.384 460 HA2 GLY 59 HA2 GLY 59 -5.124 10.814 -1.429 461 HA3 GLY 59 HA3 GLY 59 -6.558 10.038 -2.130 462 H TYR 60 H TYR 60 -4.286 7.842 -0.655 463 HA TYR 60 HA TYR 60 -6.006 7.770 1.786 464 HB2 TYR 60 HB2 TYR 60 -4.895 5.407 0.238 465 HB3 TYR 60 HB3 TYR 60 -5.946 5.340 1.651 466 HD1 TYR 60 HD1 TYR 60 -5.757 5.759 -1.964 467 HD2 TYR 60 HD2 TYR 60 -8.333 5.959 1.461 468 HE1 TYR 60 HE1 TYR 60 -7.732 5.563 -3.453 469 HE2 TYR 60 HE2 TYR 60 -10.310 5.724 -0.001 470 HH TYR 60 HH TYR 60 -11.078 5.578 -2.162 471 H LYS 61 H LYS 61 -4.980 7.264 3.713 472 HA LYS 61 HA LYS 61 -2.032 7.111 3.716 473 HB2 LYS 61 HB2 LYS 61 -4.173 6.945 5.883 474 HB3 LYS 61 HB3 LYS 61 -2.455 6.645 6.191 475 HG2 LYS 61 HG2 LYS 61 -1.908 8.920 5.361 476 HG3 LYS 61 HG3 LYS 61 -3.652 9.258 5.197 477 HD2 LYS 61 HD2 LYS 61 -3.993 8.833 7.585 478 HD3 LYS 61 HD3 LYS 61 -2.316 8.272 7.758 479 HE2 LYS 61 HE2 LYS 61 -1.506 10.531 7.130 480 HE3 LYS 61 HE3 LYS 61 -3.189 11.098 7.055 481 HZ1 LYS 61 HZ1 LYS 61 -2.173 11.581 9.158 482 HZ2 LYS 61 HZ2 LYS 61 -3.411 10.517 9.364 483 HZ3 LYS 61 HZ3 LYS 61 -1.850 9.987 9.426 484 H ALA 62 H ALA 62 -1.176 5.224 5.152 485 HA ALA 62 HA ALA 62 -2.784 2.782 4.995 486 HB1 ALA 62 HB1 ALA 62 -1.601 2.773 2.850 487 HB2 ALA 62 HB2 ALA 62 -0.048 3.012 3.687 488 HB3 ALA 62 HB3 ALA 62 -0.978 1.511 3.931 489 H GLU 63 H GLU 63 -2.799 3.317 7.269 490 HA GLU 63 HA GLU 63 -0.589 3.842 8.854 491 HB2 GLU 63 HB2 GLU 63 -2.993 4.066 9.468 492 HB3 GLU 63 HB3 GLU 63 -3.083 2.302 9.664 493 HG2 GLU 63 HG2 GLU 63 -1.343 2.395 11.403 494 HG3 GLU 63 HG3 GLU 63 -1.148 4.141 11.141 495 H VAL 64 H VAL 64 1.235 2.734 8.935 496 HA VAL 64 HA VAL 64 1.572 0.005 8.355 497 HB VAL 64 HB VAL 64 3.834 0.367 9.347 498 HG11 VAL 64 HG11 VAL 64 2.658 2.517 7.537 499 HG12 VAL 64 HG12 VAL 64 4.406 2.308 7.811 500 HG13 VAL 64 HG13 VAL 64 3.450 1.012 7.053 501 HG21 VAL 64 HG21 VAL 64 4.319 2.796 10.022 502 HG22 VAL 64 HG22 VAL 64 2.572 3.004 10.205 503 HG23 VAL 64 HG23 VAL 64 3.431 1.822 11.220 504 H LEU 65 H LEU 65 0.701 -1.641 9.437 505 HA LEU 65 HA LEU 65 0.056 -1.395 12.292 506 HB2 LEU 65 HB2 LEU 65 -0.300 -3.689 10.318 507 HB3 LEU 65 HB3 LEU 65 -0.924 -3.647 11.975 508 HG LEU 65 HG LEU 65 -1.688 -1.742 9.735 509 HD11 LEU 65 HD11 LEU 65 -2.499 -4.354 10.160 510 HD12 LEU 65 HD12 LEU 65 -3.727 -3.434 11.034 511 HD13 LEU 65 HD13 LEU 65 -3.457 -3.107 9.307 512 HD21 LEU 65 HD21 LEU 65 -3.424 -0.944 11.331 513 HD22 LEU 65 HD22 LEU 65 -2.712 -1.968 12.600 514 HD23 LEU 65 HD23 LEU 65 -1.784 -0.610 11.920 515 H ALA 66 H ALA 66 2.870 -1.224 11.661 516 HA ALA 66 HA ALA 66 3.849 -3.857 12.655 517 HB1 ALA 66 HB1 ALA 66 4.677 -3.296 10.406 518 HB2 ALA 66 HB2 ALA 66 5.284 -1.736 11.012 519 HB3 ALA 66 HB3 ALA 66 5.997 -3.257 11.599 Start of MODEL 7 1 H1 MET 1 H MET 1 8.477 -3.532 11.024 2 HA MET 1 HA MET 1 9.624 -3.435 8.297 3 HB2 MET 1 HB2 MET 1 9.432 -5.707 9.394 4 HB3 MET 1 HB3 MET 1 7.669 -5.492 9.377 5 HG2 MET 1 HG2 MET 1 7.711 -5.263 6.939 6 HG3 MET 1 HG3 MET 1 9.478 -5.348 6.932 7 HE1 MET 1 HE1 MET 1 10.123 -8.567 5.880 8 HE2 MET 1 HE2 MET 1 10.595 -6.912 6.292 9 HE3 MET 1 HE3 MET 1 10.776 -8.200 7.504 10 H LEU 2 H LEU 2 7.885 -3.373 6.542 11 HA LEU 2 HA LEU 2 5.911 -1.354 7.394 12 HB2 LEU 2 HB2 LEU 2 6.521 -2.382 4.598 13 HB3 LEU 2 HB3 LEU 2 5.693 -0.876 5.046 14 HG LEU 2 HG LEU 2 8.615 -1.591 5.563 15 HD11 LEU 2 HD11 LEU 2 8.078 -0.933 3.242 16 HD12 LEU 2 HD12 LEU 2 7.331 0.568 3.845 17 HD13 LEU 2 HD13 LEU 2 9.076 0.291 4.057 18 HD21 LEU 2 HD21 LEU 2 7.733 -0.296 7.453 19 HD22 LEU 2 HD22 LEU 2 8.825 0.698 6.466 20 HD23 LEU 2 HD23 LEU 2 7.065 0.912 6.335 21 H LYS 3 H LYS 3 3.632 -1.579 6.994 22 HA LYS 3 HA LYS 3 2.531 -4.101 6.068 23 HB2 LYS 3 HB2 LYS 3 3.569 -4.550 8.364 24 HB3 LYS 3 HB3 LYS 3 2.337 -3.479 9.048 25 HG2 LYS 3 HG2 LYS 3 0.565 -4.965 8.286 26 HG3 LYS 3 HG3 LYS 3 1.722 -5.887 7.294 27 HD2 LYS 3 HD2 LYS 3 2.970 -6.482 9.384 28 HD3 LYS 3 HD3 LYS 3 1.663 -5.739 10.333 29 HE2 LYS 3 HE2 LYS 3 0.040 -7.302 9.333 30 HE3 LYS 3 HE3 LYS 3 1.318 -7.996 8.314 31 HZ1 LYS 3 HZ1 LYS 3 2.449 -8.666 10.321 32 HZ2 LYS 3 HZ2 LYS 3 1.216 -8.072 11.246 33 HZ3 LYS 3 HZ3 LYS 3 0.945 -9.337 10.225 34 H LEU 4 H LEU 4 1.381 -2.467 4.732 35 HA LEU 4 HA LEU 4 0.295 -0.148 6.103 36 HB2 LEU 4 HB2 LEU 4 0.571 -1.171 3.303 37 HB3 LEU 4 HB3 LEU 4 -0.741 -0.021 3.615 38 HG LEU 4 HG LEU 4 0.846 1.576 4.612 39 HD11 LEU 4 HD11 LEU 4 2.941 -0.484 3.800 40 HD12 LEU 4 HD12 LEU 4 3.281 1.162 4.387 41 HD13 LEU 4 HD13 LEU 4 2.514 -0.022 5.465 42 HD21 LEU 4 HD21 LEU 4 0.352 1.649 2.180 43 HD22 LEU 4 HD22 LEU 4 2.017 2.175 2.521 44 HD23 LEU 4 HD23 LEU 4 1.712 0.544 1.876 45 H LYS 5 H LYS 5 -1.592 0.061 7.027 46 HA LYS 5 HA LYS 5 -3.823 -1.773 6.340 47 HB2 LYS 5 HB2 LYS 5 -3.108 -1.604 8.707 48 HB3 LYS 5 HB3 LYS 5 -3.445 0.135 8.698 49 HG2 LYS 5 HG2 LYS 5 -5.667 -1.647 7.768 50 HG3 LYS 5 HG3 LYS 5 -5.216 -1.782 9.480 51 HD2 LYS 5 HD2 LYS 5 -5.429 0.685 9.730 52 HD3 LYS 5 HD3 LYS 5 -6.019 0.779 8.053 53 HE2 LYS 5 HE2 LYS 5 -7.884 -0.736 8.621 54 HE3 LYS 5 HE3 LYS 5 -7.291 -0.845 10.291 55 HZ1 LYS 5 HZ1 LYS 5 -8.196 1.608 8.951 56 HZ2 LYS 5 HZ2 LYS 5 -9.043 0.757 10.074 57 HZ3 LYS 5 HZ3 LYS 5 -7.641 1.511 10.501 58 H VAL 6 H VAL 6 -4.510 -0.805 4.394 59 HA VAL 6 HA VAL 6 -4.618 2.028 4.030 60 HB VAL 6 HB VAL 6 -6.057 -0.177 2.503 61 HG11 VAL 6 HG11 VAL 6 -5.169 2.642 1.755 62 HG12 VAL 6 HG12 VAL 6 -5.895 1.462 0.638 63 HG13 VAL 6 HG13 VAL 6 -6.847 2.099 1.993 64 HG21 VAL 6 HG21 VAL 6 -4.082 -0.148 1.022 65 HG22 VAL 6 HG22 VAL 6 -3.285 1.028 2.091 66 HG23 VAL 6 HG23 VAL 6 -3.620 -0.622 2.669 67 H GLU 7 H GLU 7 -6.191 3.484 4.378 68 HA GLU 7 HA GLU 7 -8.707 2.607 5.646 69 HB2 GLU 7 HB2 GLU 7 -7.429 4.517 6.579 70 HB3 GLU 7 HB3 GLU 7 -7.590 5.378 5.037 71 HG2 GLU 7 HG2 GLU 7 -9.265 6.136 6.702 72 HG3 GLU 7 HG3 GLU 7 -10.032 5.416 5.280 73 H GLY 8 H GLY 8 -10.786 3.131 4.739 74 HA2 GLY 8 HA2 GLY 8 -10.799 3.144 1.801 75 HA3 GLY 8 HA3 GLY 8 -12.187 2.914 2.886 76 H MET 9 H MET 9 -9.715 5.504 2.275 77 HA MET 9 HA MET 9 -11.492 7.592 3.085 78 HB2 MET 9 HB2 MET 9 -8.961 7.641 1.412 79 HB3 MET 9 HB3 MET 9 -9.745 9.080 2.085 80 HG2 MET 9 HG2 MET 9 -9.107 6.848 3.983 81 HG3 MET 9 HG3 MET 9 -7.752 7.758 3.309 82 HE1 MET 9 HE1 MET 9 -6.834 8.642 5.514 83 HE2 MET 9 HE2 MET 9 -7.838 9.341 6.806 84 HE3 MET 9 HE3 MET 9 -8.048 7.638 6.337 85 H THR 10 H THR 10 -10.762 6.120 -0.107 86 HA THR 10 HA THR 10 -12.942 7.804 -1.223 87 HB THR 10 HB THR 10 -11.586 8.136 -3.272 88 HG1 THR 10 HG1 THR 10 -10.109 6.551 -3.242 89 HG21 THR 10 HG21 THR 10 -11.617 9.854 -1.483 90 HG22 THR 10 HG22 THR 10 -10.203 9.080 -0.725 91 HG23 THR 10 HG23 THR 10 -10.057 9.814 -2.338 92 H CYS 11 H CYS 11 -13.659 6.988 -3.392 93 HA CYS 11 HA CYS 11 -14.724 5.331 -4.523 94 HB2 CYS 11 HB2 CYS 11 -11.989 4.035 -4.243 95 HB3 CYS 11 HB3 CYS 11 -13.226 3.615 -5.452 96 HG CYS 11 HG CYS 11 -13.416 6.018 -6.471 97 H ASN 12 H ASN 12 -15.168 5.194 -1.654 98 HA ASN 12 HA ASN 12 -14.833 2.521 -0.712 99 HB2 ASN 12 HB2 ASN 12 -16.367 3.186 1.044 100 HB3 ASN 12 HB3 ASN 12 -15.250 4.523 0.716 101 HD21 ASN 12 HD21 ASN 12 -19.230 5.114 0.475 102 HD22 ASN 12 HD22 ASN 12 -18.455 3.750 1.254 103 H HIS 13 H HIS 13 -17.005 3.888 -3.046 104 HA HIS 13 HA HIS 13 -19.092 1.873 -2.625 105 HB2 HIS 13 HB2 HIS 13 -18.643 3.917 -4.833 106 HB3 HIS 13 HB3 HIS 13 -20.099 2.935 -4.616 107 HD1 HIS 13 HD1 HIS 13 -18.725 6.234 -3.631 108 HD2 HIS 13 HD2 HIS 13 -21.356 3.341 -2.061 109 HE1 HIS 13 HE1 HIS 13 -20.118 7.402 -1.840 110 H CYS 14 H CYS 14 -16.015 1.939 -4.002 111 HA CYS 14 HA CYS 14 -16.661 -0.371 -5.748 112 HB2 CYS 14 HB2 CYS 14 -14.752 1.917 -6.367 113 HB3 CYS 14 HB3 CYS 14 -14.986 0.464 -7.367 114 HG CYS 14 HG CYS 14 -16.927 1.114 -8.529 115 H VAL 15 H VAL 15 -14.162 -1.108 -6.482 116 HA VAL 15 HA VAL 15 -12.972 -2.019 -3.965 117 HB VAL 15 HB VAL 15 -13.274 -3.512 -5.942 118 HG11 VAL 15 HG11 VAL 15 -11.819 -3.198 -7.917 119 HG12 VAL 15 HG12 VAL 15 -12.919 -1.818 -7.709 120 HG13 VAL 15 HG13 VAL 15 -11.210 -1.677 -7.233 121 HG21 VAL 15 HG21 VAL 15 -11.033 -4.488 -5.930 122 HG22 VAL 15 HG22 VAL 15 -10.346 -2.982 -5.290 123 HG23 VAL 15 HG23 VAL 15 -11.465 -3.944 -4.293 124 H MET 16 H MET 16 -10.605 -1.673 -3.562 125 HA MET 16 HA MET 16 -9.857 1.078 -4.415 126 HB2 MET 16 HB2 MET 16 -8.779 -0.705 -2.193 127 HB3 MET 16 HB3 MET 16 -8.341 0.991 -2.477 128 HG2 MET 16 HG2 MET 16 -10.686 1.660 -2.082 129 HG3 MET 16 HG3 MET 16 -11.125 -0.031 -1.805 130 HE1 MET 16 HE1 MET 16 -9.186 -0.906 1.479 131 HE2 MET 16 HE2 MET 16 -10.298 -1.488 0.218 132 HE3 MET 16 HE3 MET 16 -8.605 -1.113 -0.187 133 H ALA 17 H ALA 17 -8.328 1.267 -5.991 134 HA ALA 17 HA ALA 17 -6.680 -1.103 -6.629 135 HB1 ALA 17 HB1 ALA 17 -7.765 0.166 -8.456 136 HB2 ALA 17 HB2 ALA 17 -6.919 1.641 -7.936 137 HB3 ALA 17 HB3 ALA 17 -5.993 0.265 -8.577 138 H VAL 18 H VAL 18 -5.469 -1.037 -4.586 139 HA VAL 18 HA VAL 18 -3.596 1.255 -4.387 140 HB VAL 18 HB VAL 18 -4.112 -1.020 -2.434 141 HG11 VAL 18 HG11 VAL 18 -2.786 1.711 -2.130 142 HG12 VAL 18 HG12 VAL 18 -3.069 0.546 -0.816 143 HG13 VAL 18 HG13 VAL 18 -1.949 0.141 -2.132 144 HG21 VAL 18 HG21 VAL 18 -5.263 1.801 -2.514 145 HG22 VAL 18 HG22 VAL 18 -6.169 0.296 -2.801 146 HG23 VAL 18 HG23 VAL 18 -5.482 0.624 -1.198 147 H THR 19 H THR 19 -3.837 -2.049 -5.409 148 HA THR 19 HA THR 19 -1.390 -3.120 -4.788 149 HB THR 19 HB THR 19 -2.796 -3.449 -7.462 150 HG1 THR 19 HG1 THR 19 -4.068 -4.962 -6.340 151 HG21 THR 19 HG21 THR 19 -1.990 -5.779 -7.230 152 HG22 THR 19 HG22 THR 19 -0.636 -4.627 -7.203 153 HG23 THR 19 HG23 THR 19 -1.213 -5.358 -5.686 154 H LYS 20 H LYS 20 -2.156 -1.188 -7.744 155 HA LYS 20 HA LYS 20 0.487 -1.378 -8.780 156 HB2 LYS 20 HB2 LYS 20 -1.718 0.652 -9.296 157 HB3 LYS 20 HB3 LYS 20 -0.258 0.452 -10.289 158 HG2 LYS 20 HG2 LYS 20 -1.479 -2.138 -9.907 159 HG3 LYS 20 HG3 LYS 20 -2.721 -0.995 -10.463 160 HD2 LYS 20 HD2 LYS 20 -1.304 -0.338 -12.362 161 HD3 LYS 20 HD3 LYS 20 -0.009 -1.416 -11.787 162 HE2 LYS 20 HE2 LYS 20 -1.525 -3.360 -12.023 163 HE3 LYS 20 HE3 LYS 20 -2.809 -2.287 -12.615 164 HZ1 LYS 20 HZ1 LYS 20 -1.409 -1.718 -14.457 165 HZ2 LYS 20 HZ2 LYS 20 -0.200 -2.694 -13.905 166 HZ3 LYS 20 HZ3 LYS 20 -1.631 -3.348 -14.400 167 H ALA 21 H ALA 21 -0.861 0.668 -6.258 168 HA ALA 21 HA ALA 21 0.982 2.842 -6.658 169 HB1 ALA 21 HB1 ALA 21 -0.609 2.035 -4.192 170 HB2 ALA 21 HB2 ALA 21 0.142 3.617 -4.493 171 HB3 ALA 21 HB3 ALA 21 -1.207 3.066 -5.513 172 H LEU 22 H LEU 22 1.186 -0.265 -4.959 173 HA LEU 22 HA LEU 22 3.352 0.564 -3.217 174 HB2 LEU 22 HB2 LEU 22 2.236 -2.120 -4.121 175 HB3 LEU 22 HB3 LEU 22 3.665 -1.988 -3.093 176 HG LEU 22 HG LEU 22 1.788 -2.414 -1.692 177 HD11 LEU 22 HD11 LEU 22 3.521 -0.731 -0.940 178 HD12 LEU 22 HD12 LEU 22 2.383 0.548 -1.410 179 HD13 LEU 22 HD13 LEU 22 1.939 -0.600 -0.130 180 HD21 LEU 22 HD21 LEU 22 0.008 -1.602 -3.194 181 HD22 LEU 22 HD22 LEU 22 -0.158 -0.953 -1.547 182 HD23 LEU 22 HD23 LEU 22 0.484 0.080 -2.841 183 H LYS 23 H LYS 23 3.115 -1.327 -6.259 184 HA LYS 23 HA LYS 23 5.853 -1.958 -6.385 185 HB2 LYS 23 HB2 LYS 23 3.867 -3.048 -7.521 186 HB3 LYS 23 HB3 LYS 23 3.960 -1.767 -8.747 187 HG2 LYS 23 HG2 LYS 23 6.220 -2.458 -9.354 188 HG3 LYS 23 HG3 LYS 23 6.293 -3.568 -7.963 189 HD2 LYS 23 HD2 LYS 23 4.403 -4.869 -8.908 190 HD3 LYS 23 HD3 LYS 23 4.394 -3.805 -10.335 191 HE2 LYS 23 HE2 LYS 23 6.707 -4.483 -10.874 192 HE3 LYS 23 HE3 LYS 23 6.770 -5.442 -9.382 193 HZ1 LYS 23 HZ1 LYS 23 4.729 -6.571 -10.400 194 HZ2 LYS 23 HZ2 LYS 23 5.288 -5.981 -11.817 195 HZ3 LYS 23 HZ3 LYS 23 6.247 -6.988 -10.927 196 H LYS 24 H LYS 24 4.265 1.058 -7.234 197 HA LYS 24 HA LYS 24 6.186 1.839 -9.246 198 HB2 LYS 24 HB2 LYS 24 4.213 3.376 -7.520 199 HB3 LYS 24 HB3 LYS 24 5.242 4.145 -8.746 200 HG2 LYS 24 HG2 LYS 24 4.269 2.767 -10.509 201 HG3 LYS 24 HG3 LYS 24 3.287 1.884 -9.320 202 HD2 LYS 24 HD2 LYS 24 2.155 3.992 -8.683 203 HD3 LYS 24 HD3 LYS 24 3.149 4.884 -9.856 204 HE2 LYS 24 HE2 LYS 24 2.199 3.537 -11.695 205 HE3 LYS 24 HE3 LYS 24 1.212 2.631 -10.527 206 HZ1 LYS 24 HZ1 LYS 24 0.125 4.672 -9.948 207 HZ2 LYS 24 HZ2 LYS 24 1.056 5.527 -11.004 208 HZ3 LYS 24 HZ3 LYS 24 -0.014 4.408 -11.570 209 H VAL 25 H VAL 25 6.380 1.609 -5.784 210 HA VAL 25 HA VAL 25 8.075 3.897 -5.387 211 HB VAL 25 HB VAL 25 7.472 1.397 -3.787 212 HG11 VAL 25 HG11 VAL 25 8.518 2.537 -1.864 213 HG12 VAL 25 HG12 VAL 25 9.707 2.193 -3.138 214 HG13 VAL 25 HG13 VAL 25 9.070 3.844 -2.934 215 HG21 VAL 25 HG21 VAL 25 6.710 4.286 -3.253 216 HG22 VAL 25 HG22 VAL 25 5.689 3.184 -4.225 217 HG23 VAL 25 HG23 VAL 25 6.037 2.826 -2.520 218 HA PRO 26 HA PRO 26 11.873 2.307 -7.024 219 HB2 PRO 26 HB2 PRO 26 13.008 4.044 -4.839 220 HB3 PRO 26 HB3 PRO 26 13.484 3.966 -6.568 221 HG2 PRO 26 HG2 PRO 26 11.954 6.011 -5.672 222 HG3 PRO 26 HG3 PRO 26 11.550 5.201 -7.226 223 HD2 PRO 26 HD2 PRO 26 10.292 4.780 -4.508 224 HD3 PRO 26 HD3 PRO 26 9.503 4.931 -6.111 225 H GLY 27 H GLY 27 12.942 0.437 -6.532 226 HA2 GLY 27 HA2 GLY 27 14.309 -0.929 -5.209 227 HA3 GLY 27 HA3 GLY 27 13.734 -0.106 -3.748 228 H VAL 28 H VAL 28 10.848 -0.425 -4.833 229 HA VAL 28 HA VAL 28 10.356 -3.042 -3.629 230 HB VAL 28 HB VAL 28 8.561 -0.969 -4.958 231 HG11 VAL 28 HG11 VAL 28 7.600 -3.212 -5.246 232 HG12 VAL 28 HG12 VAL 28 7.827 -3.544 -3.512 233 HG13 VAL 28 HG13 VAL 28 6.681 -2.290 -4.037 234 HG21 VAL 28 HG21 VAL 28 8.964 -1.806 -2.053 235 HG22 VAL 28 HG22 VAL 28 9.530 -0.289 -2.790 236 HG23 VAL 28 HG23 VAL 28 7.788 -0.603 -2.629 237 H GLU 29 H GLU 29 10.173 -4.962 -4.710 238 HA GLU 29 HA GLU 29 9.846 -4.792 -7.665 239 HB2 GLU 29 HB2 GLU 29 12.182 -5.297 -7.057 240 HB3 GLU 29 HB3 GLU 29 11.628 -6.719 -6.138 241 HG2 GLU 29 HG2 GLU 29 10.666 -7.688 -8.185 242 HG3 GLU 29 HG3 GLU 29 11.122 -6.239 -9.103 243 H LYS 30 H LYS 30 8.997 -6.347 -4.616 244 HA LYS 30 HA LYS 30 6.956 -7.897 -6.135 245 HB2 LYS 30 HB2 LYS 30 8.537 -8.760 -3.684 246 HB3 LYS 30 HB3 LYS 30 7.151 -9.639 -4.366 247 HG2 LYS 30 HG2 LYS 30 8.367 -9.874 -6.518 248 HG3 LYS 30 HG3 LYS 30 9.769 -9.039 -5.809 249 HD2 LYS 30 HD2 LYS 30 9.960 -10.813 -4.086 250 HD3 LYS 30 HD3 LYS 30 8.532 -11.620 -4.772 251 HE2 LYS 30 HE2 LYS 30 9.940 -12.762 -6.094 252 HE3 LYS 30 HE3 LYS 30 10.178 -11.250 -6.991 253 HZ1 LYS 30 HZ1 LYS 30 12.015 -10.772 -5.511 254 HZ2 LYS 30 HZ2 LYS 30 11.784 -12.195 -4.712 255 HZ3 LYS 30 HZ3 LYS 30 12.247 -12.204 -6.295 256 H VAL 31 H VAL 31 4.911 -8.079 -5.128 257 HA VAL 31 HA VAL 31 4.452 -6.485 -2.683 258 HB VAL 31 HB VAL 31 3.104 -6.028 -5.371 259 HG11 VAL 31 HG11 VAL 31 2.577 -4.731 -2.667 260 HG12 VAL 31 HG12 VAL 31 1.843 -4.241 -4.213 261 HG13 VAL 31 HG13 VAL 31 1.487 -5.840 -3.534 262 HG21 VAL 31 HG21 VAL 31 4.621 -3.981 -3.731 263 HG22 VAL 31 HG22 VAL 31 5.412 -4.965 -5.005 264 HG23 VAL 31 HG23 VAL 31 4.076 -3.871 -5.403 265 H GLU 32 H GLU 32 2.525 -7.058 -1.610 266 HA GLU 32 HA GLU 32 0.779 -9.092 -2.826 267 HB2 GLU 32 HB2 GLU 32 2.513 -10.390 -1.613 268 HB3 GLU 32 HB3 GLU 32 2.185 -9.443 -0.143 269 HG2 GLU 32 HG2 GLU 32 -0.177 -10.225 -0.190 270 HG3 GLU 32 HG3 GLU 32 0.183 -11.198 -1.629 271 H VAL 33 H VAL 33 -1.311 -8.454 -2.419 272 HA VAL 33 HA VAL 33 -1.741 -6.782 0.004 273 HB VAL 33 HB VAL 33 -3.209 -5.318 -1.282 274 HG11 VAL 33 HG11 VAL 33 -0.781 -4.774 -1.141 275 HG12 VAL 33 HG12 VAL 33 -0.514 -5.650 -2.665 276 HG13 VAL 33 HG13 VAL 33 -1.518 -4.183 -2.648 277 HG21 VAL 33 HG21 VAL 33 -2.342 -6.967 -3.695 278 HG22 VAL 33 HG22 VAL 33 -3.968 -6.958 -2.972 279 HG23 VAL 33 HG23 VAL 33 -3.330 -5.489 -3.738 280 H SER 34 H SER 34 -3.921 -6.790 0.814 281 HA SER 34 HA SER 34 -5.592 -9.038 -0.183 282 HB2 SER 34 HB2 SER 34 -4.342 -9.713 1.860 283 HB3 SER 34 HB3 SER 34 -5.051 -8.336 2.731 284 HG SER 34 HG SER 34 -6.187 -10.342 2.989 285 H LEU 35 H LEU 35 -7.082 -7.799 -1.227 286 HA LEU 35 HA LEU 35 -7.863 -5.201 -0.407 287 HB2 LEU 35 HB2 LEU 35 -9.310 -7.198 -2.187 288 HB3 LEU 35 HB3 LEU 35 -9.604 -5.449 -2.130 289 HG LEU 35 HG LEU 35 -6.969 -6.769 -2.917 290 HD11 LEU 35 HD11 LEU 35 -7.545 -6.001 -5.189 291 HD12 LEU 35 HD12 LEU 35 -8.779 -7.120 -4.566 292 HD13 LEU 35 HD13 LEU 35 -9.097 -5.370 -4.588 293 HD21 LEU 35 HD21 LEU 35 -6.354 -4.478 -3.653 294 HD22 LEU 35 HD22 LEU 35 -7.886 -3.860 -2.993 295 HD23 LEU 35 HD23 LEU 35 -6.651 -4.537 -1.904 296 H GLU 36 H GLU 36 -8.876 -8.323 0.786 297 HA GLU 36 HA GLU 36 -11.513 -7.377 1.593 298 HB2 GLU 36 HB2 GLU 36 -9.915 -9.870 2.283 299 HB3 GLU 36 HB3 GLU 36 -11.600 -9.570 2.774 300 HG2 GLU 36 HG2 GLU 36 -12.233 -9.317 0.378 301 HG3 GLU 36 HG3 GLU 36 -10.565 -9.685 -0.092 302 H LYS 37 H LYS 37 -8.257 -7.553 2.995 303 HA LYS 37 HA LYS 37 -9.369 -6.602 5.580 304 HB2 LYS 37 HB2 LYS 37 -6.604 -7.656 4.867 305 HB3 LYS 37 HB3 LYS 37 -7.067 -6.957 6.430 306 HG2 LYS 37 HG2 LYS 37 -7.515 -9.101 6.973 307 HG3 LYS 37 HG3 LYS 37 -9.069 -8.755 6.192 308 HD2 LYS 37 HD2 LYS 37 -8.206 -9.739 4.082 309 HD3 LYS 37 HD3 LYS 37 -6.626 -10.014 4.860 310 HE2 LYS 37 HE2 LYS 37 -7.742 -11.447 6.565 311 HE3 LYS 37 HE3 LYS 37 -9.288 -11.217 5.724 312 HZ1 LYS 37 HZ1 LYS 37 -8.257 -13.256 5.091 313 HZ2 LYS 37 HZ2 LYS 37 -8.308 -12.245 3.796 314 HZ3 LYS 37 HZ3 LYS 37 -6.885 -12.482 4.597 315 H GLY 38 H GLY 38 -8.093 -5.442 2.646 316 HA2 GLY 38 HA2 GLY 38 -7.564 -3.289 2.029 317 HA3 GLY 38 HA3 GLY 38 -7.974 -2.751 3.672 318 H GLU 39 H GLU 39 -5.636 -5.362 3.262 319 HA GLU 39 HA GLU 39 -3.574 -3.526 4.350 320 HB2 GLU 39 HB2 GLU 39 -3.818 -6.557 4.271 321 HB3 GLU 39 HB3 GLU 39 -2.410 -5.677 4.901 322 HG2 GLU 39 HG2 GLU 39 -3.936 -4.458 6.478 323 HG3 GLU 39 HG3 GLU 39 -5.273 -5.485 5.920 324 H ALA 40 H ALA 40 -1.403 -3.619 3.576 325 HA ALA 40 HA ALA 40 -1.015 -4.786 0.903 326 HB1 ALA 40 HB1 ALA 40 -0.356 -2.740 -0.101 327 HB2 ALA 40 HB2 ALA 40 -1.876 -2.390 0.731 328 HB3 ALA 40 HB3 ALA 40 -0.340 -1.880 1.469 329 H LEU 41 H LEU 41 0.653 -6.076 1.217 330 HA LEU 41 HA LEU 41 2.891 -5.234 2.979 331 HB2 LEU 41 HB2 LEU 41 2.245 -7.926 1.688 332 HB3 LEU 41 HB3 LEU 41 3.564 -7.592 2.810 333 HG LEU 41 HG LEU 41 1.923 -8.667 4.090 334 HD11 LEU 41 HD11 LEU 41 2.854 -6.650 5.179 335 HD12 LEU 41 HD12 LEU 41 1.495 -5.687 4.545 336 HD13 LEU 41 HD13 LEU 41 1.190 -6.991 5.711 337 HD21 LEU 41 HD21 LEU 41 -0.424 -8.114 4.162 338 HD22 LEU 41 HD22 LEU 41 -0.195 -6.738 3.071 339 HD23 LEU 41 HD23 LEU 41 0.045 -8.398 2.471 340 H VAL 42 H VAL 42 5.062 -5.351 2.145 341 HA VAL 42 HA VAL 42 5.297 -5.780 -0.774 342 HB VAL 42 HB VAL 42 6.837 -3.839 -0.913 343 HG11 VAL 42 HG11 VAL 42 5.121 -2.241 -1.220 344 HG12 VAL 42 HG12 VAL 42 4.341 -3.808 -1.470 345 HG13 VAL 42 HG13 VAL 42 4.106 -2.952 0.072 346 HG21 VAL 42 HG21 VAL 42 5.722 -3.136 1.838 347 HG22 VAL 42 HG22 VAL 42 7.392 -3.644 1.501 348 HG23 VAL 42 HG23 VAL 42 6.779 -2.113 0.838 349 H GLU 43 H GLU 43 7.599 -6.189 -1.413 350 HA GLU 43 HA GLU 43 9.284 -7.010 0.875 351 HB2 GLU 43 HB2 GLU 43 7.953 -8.973 0.075 352 HB3 GLU 43 HB3 GLU 43 8.725 -8.804 -1.515 353 HG2 GLU 43 HG2 GLU 43 10.934 -9.140 -0.515 354 HG3 GLU 43 HG3 GLU 43 10.230 -9.160 1.113 355 H GLY 44 H GLY 44 10.358 -5.031 0.356 356 HA2 GLY 44 HA2 GLY 44 12.306 -5.327 -1.831 357 HA3 GLY 44 HA3 GLY 44 11.266 -3.885 -1.840 358 H THR 45 H THR 45 13.603 -2.984 -1.664 359 HA THR 45 HA THR 45 14.361 -2.784 1.209 360 HB THR 45 HB THR 45 16.642 -2.271 0.320 361 HG1 THR 45 HG1 THR 45 17.003 -2.711 -1.866 362 HG21 THR 45 HG21 THR 45 15.442 -4.912 -0.621 363 HG22 THR 45 HG22 THR 45 17.168 -4.588 -0.336 364 HG23 THR 45 HG23 THR 45 16.022 -4.562 1.024 365 H ALA 46 H ALA 46 12.310 -1.200 -0.286 366 HA ALA 46 HA ALA 46 13.485 1.371 -0.877 367 HB1 ALA 46 HB1 ALA 46 11.132 2.066 -1.091 368 HB2 ALA 46 HB2 ALA 46 11.424 0.528 -1.936 369 HB3 ALA 46 HB3 ALA 46 10.609 0.525 -0.359 370 H ASP 47 H ASP 47 12.533 3.392 0.297 371 HA ASP 47 HA ASP 47 13.197 3.146 3.110 372 HB2 ASP 47 HB2 ASP 47 13.782 5.078 1.569 373 HB3 ASP 47 HB3 ASP 47 12.078 5.568 1.662 374 HA PRO 48 HA PRO 48 9.188 2.411 4.756 375 HB2 PRO 48 HB2 PRO 48 10.160 4.344 6.867 376 HB3 PRO 48 HB3 PRO 48 9.321 2.773 7.094 377 HG2 PRO 48 HG2 PRO 48 11.998 2.908 7.404 378 HG3 PRO 48 HG3 PRO 48 11.287 1.561 6.447 379 HD2 PRO 48 HD2 PRO 48 12.579 4.101 5.440 380 HD3 PRO 48 HD3 PRO 48 12.761 2.422 4.840 381 H LYS 49 H LYS 49 10.366 5.827 4.630 382 HA LYS 49 HA LYS 49 7.718 6.932 5.000 383 HB2 LYS 49 HB2 LYS 49 10.198 8.176 3.743 384 HB3 LYS 49 HB3 LYS 49 8.772 9.040 4.339 385 HG2 LYS 49 HG2 LYS 49 9.253 8.231 6.631 386 HG3 LYS 49 HG3 LYS 49 10.729 7.424 6.040 387 HD2 LYS 49 HD2 LYS 49 10.450 10.247 5.167 388 HD3 LYS 49 HD3 LYS 49 10.572 10.054 6.929 389 HE2 LYS 49 HE2 LYS 49 12.641 8.822 6.738 390 HE3 LYS 49 HE3 LYS 49 12.494 8.757 4.969 391 HZ1 LYS 49 HZ1 LYS 49 12.693 11.127 4.911 392 HZ2 LYS 49 HZ2 LYS 49 12.826 11.210 6.551 393 HZ3 LYS 49 HZ3 LYS 49 14.000 10.466 5.666 394 H ALA 50 H ALA 50 9.750 6.026 2.214 395 HA ALA 50 HA ALA 50 8.299 7.443 0.245 396 HB1 ALA 50 HB1 ALA 50 10.559 6.510 -0.087 397 HB2 ALA 50 HB2 ALA 50 9.898 4.860 0.016 398 HB3 ALA 50 HB3 ALA 50 9.433 5.922 -1.333 399 H LEU 51 H LEU 51 7.765 4.243 1.744 400 HA LEU 51 HA LEU 51 5.951 3.326 -0.239 401 HB2 LEU 51 HB2 LEU 51 7.179 2.044 1.691 402 HB3 LEU 51 HB3 LEU 51 5.790 2.541 2.674 403 HG LEU 51 HG LEU 51 4.313 1.551 0.811 404 HD11 LEU 51 HD11 LEU 51 5.448 -0.176 -0.597 405 HD12 LEU 51 HD12 LEU 51 6.061 1.452 -0.947 406 HD13 LEU 51 HD13 LEU 51 7.017 0.340 0.057 407 HD21 LEU 51 HD21 LEU 51 4.839 0.442 3.016 408 HD22 LEU 51 HD22 LEU 51 4.516 -0.703 1.689 409 HD23 LEU 51 HD23 LEU 51 6.185 -0.392 2.216 410 H VAL 52 H VAL 52 5.373 4.851 2.987 411 HA VAL 52 HA VAL 52 2.535 4.821 2.724 412 HB VAL 52 HB VAL 52 4.268 6.687 4.394 413 HG11 VAL 52 HG11 VAL 52 1.435 5.619 4.762 414 HG12 VAL 52 HG12 VAL 52 2.309 6.663 5.907 415 HG13 VAL 52 HG13 VAL 52 1.866 7.283 4.302 416 HG21 VAL 52 HG21 VAL 52 4.035 4.965 6.167 417 HG22 VAL 52 HG22 VAL 52 3.249 3.880 4.995 418 HG23 VAL 52 HG23 VAL 52 4.949 4.367 4.768 419 H GLN 53 H GLN 53 5.057 7.109 1.682 420 HA GLN 53 HA GLN 53 3.202 9.273 1.263 421 HB2 GLN 53 HB2 GLN 53 5.670 9.474 1.698 422 HB3 GLN 53 HB3 GLN 53 5.966 8.843 0.063 423 HG2 GLN 53 HG2 GLN 53 4.667 10.740 -0.882 424 HG3 GLN 53 HG3 GLN 53 4.357 11.339 0.756 425 HE21 GLN 53 HE21 GLN 53 7.190 13.370 -0.383 426 HE22 GLN 53 HE22 GLN 53 5.469 13.221 -0.661 427 H ALA 54 H ALA 54 4.481 6.598 -0.727 428 HA ALA 54 HA ALA 54 3.648 7.618 -3.242 429 HB1 ALA 54 HB1 ALA 54 3.477 4.704 -2.971 430 HB2 ALA 54 HB2 ALA 54 4.503 5.693 -4.016 431 HB3 ALA 54 HB3 ALA 54 5.008 5.378 -2.340 432 H VAL 55 H VAL 55 1.998 5.429 -0.886 433 HA VAL 55 HA VAL 55 -0.360 5.213 -2.541 434 HB VAL 55 HB VAL 55 -1.339 4.173 -0.527 435 HG11 VAL 55 HG11 VAL 55 1.352 2.924 -0.593 436 HG12 VAL 55 HG12 VAL 55 -0.239 2.227 -0.898 437 HG13 VAL 55 HG13 VAL 55 0.560 3.159 -2.184 438 HG21 VAL 55 HG21 VAL 55 -0.222 5.561 1.204 439 HG22 VAL 55 HG22 VAL 55 0.032 3.826 1.488 440 HG23 VAL 55 HG23 VAL 55 1.336 4.811 0.788 441 H GLU 56 H GLU 56 0.813 7.526 -0.141 442 HA GLU 56 HA GLU 56 -1.777 8.611 0.466 443 HB2 GLU 56 HB2 GLU 56 0.245 8.857 1.889 444 HB3 GLU 56 HB3 GLU 56 0.991 9.873 0.637 445 HG2 GLU 56 HG2 GLU 56 -0.840 11.514 0.878 446 HG3 GLU 56 HG3 GLU 56 -1.618 10.478 2.092 447 H GLU 57 H GLU 57 0.537 9.009 -2.168 448 HA GLU 57 HA GLU 57 -0.508 11.512 -3.161 449 HB2 GLU 57 HB2 GLU 57 1.385 9.378 -3.994 450 HB3 GLU 57 HB3 GLU 57 0.515 10.152 -5.334 451 HG2 GLU 57 HG2 GLU 57 1.191 12.385 -4.456 452 HG3 GLU 57 HG3 GLU 57 2.165 11.572 -3.213 453 H GLU 58 H GLU 58 -1.465 8.129 -3.343 454 HA GLU 58 HA GLU 58 -3.253 8.591 -5.630 455 HB2 GLU 58 HB2 GLU 58 -2.673 6.187 -3.864 456 HB3 GLU 58 HB3 GLU 58 -3.779 6.163 -5.257 457 HG2 GLU 58 HG2 GLU 58 -0.833 6.936 -5.416 458 HG3 GLU 58 HG3 GLU 58 -1.477 5.331 -5.784 459 H GLY 59 H GLY 59 -3.356 9.225 -2.325 460 HA2 GLY 59 HA2 GLY 59 -5.256 10.137 -1.262 461 HA3 GLY 59 HA3 GLY 59 -6.309 9.289 -2.411 462 H TYR 60 H TYR 60 -3.899 7.151 -1.373 463 HA TYR 60 HA TYR 60 -5.815 5.950 0.557 464 HB2 TYR 60 HB2 TYR 60 -3.635 4.739 -1.175 465 HB3 TYR 60 HB3 TYR 60 -4.565 3.847 0.031 466 HD1 TYR 60 HD1 TYR 60 -4.440 4.910 -3.378 467 HD2 TYR 60 HD2 TYR 60 -7.135 3.829 -0.210 468 HE1 TYR 60 HE1 TYR 60 -6.207 4.441 -5.052 469 HE2 TYR 60 HE2 TYR 60 -8.912 3.364 -1.868 470 HH TYR 60 HH TYR 60 -9.487 3.348 -4.086 471 H LYS 61 H LYS 61 -5.111 7.062 2.453 472 HA LYS 61 HA LYS 61 -2.317 6.897 3.277 473 HB2 LYS 61 HB2 LYS 61 -4.903 7.467 4.794 474 HB3 LYS 61 HB3 LYS 61 -3.273 7.577 5.500 475 HG2 LYS 61 HG2 LYS 61 -2.637 9.252 3.796 476 HG3 LYS 61 HG3 LYS 61 -4.260 9.147 3.081 477 HD2 LYS 61 HD2 LYS 61 -5.254 9.951 5.192 478 HD3 LYS 61 HD3 LYS 61 -3.635 10.050 5.926 479 HE2 LYS 61 HE2 LYS 61 -2.946 11.700 4.241 480 HE3 LYS 61 HE3 LYS 61 -4.510 11.543 3.417 481 HZ1 LYS 61 HZ1 LYS 61 -4.461 13.460 4.817 482 HZ2 LYS 61 HZ2 LYS 61 -5.568 12.383 5.381 483 HZ3 LYS 61 HZ3 LYS 61 -4.116 12.549 6.149 484 H ALA 62 H ALA 62 -1.569 5.491 5.046 485 HA ALA 62 HA ALA 62 -3.196 3.203 5.791 486 HB1 ALA 62 HB1 ALA 62 -2.548 2.584 3.489 487 HB2 ALA 62 HB2 ALA 62 -0.837 2.840 3.896 488 HB3 ALA 62 HB3 ALA 62 -1.755 1.532 4.683 489 H GLU 63 H GLU 63 -2.671 3.135 7.911 490 HA GLU 63 HA GLU 63 -0.099 3.966 8.921 491 HB2 GLU 63 HB2 GLU 63 -2.306 4.157 10.104 492 HB3 GLU 63 HB3 GLU 63 -2.339 2.385 10.243 493 HG2 GLU 63 HG2 GLU 63 -0.096 2.549 11.436 494 HG3 GLU 63 HG3 GLU 63 -0.295 4.314 11.418 495 H VAL 64 H VAL 64 1.754 2.715 8.984 496 HA VAL 64 HA VAL 64 1.799 -0.027 8.277 497 HB VAL 64 HB VAL 64 4.094 0.040 9.287 498 HG11 VAL 64 HG11 VAL 64 3.236 2.303 7.443 499 HG12 VAL 64 HG12 VAL 64 4.940 1.881 7.766 500 HG13 VAL 64 HG13 VAL 64 3.857 0.706 6.988 501 HG21 VAL 64 HG21 VAL 64 3.310 2.904 9.988 502 HG22 VAL 64 HG22 VAL 64 3.634 1.597 11.151 503 HG23 VAL 64 HG23 VAL 64 4.941 2.209 10.118 504 H LEU 65 H LEU 65 1.525 -1.878 9.458 505 HA LEU 65 HA LEU 65 0.621 -1.549 12.253 506 HB2 LEU 65 HB2 LEU 65 0.573 -3.925 10.352 507 HB3 LEU 65 HB3 LEU 65 -0.118 -3.904 11.986 508 HG LEU 65 HG LEU 65 -0.978 -2.124 9.663 509 HD11 LEU 65 HD11 LEU 65 -2.315 -4.496 11.032 510 HD12 LEU 65 HD12 LEU 65 -3.044 -3.492 9.757 511 HD13 LEU 65 HD13 LEU 65 -1.618 -4.492 9.394 512 HD21 LEU 65 HD21 LEU 65 -2.845 -1.496 11.173 513 HD22 LEU 65 HD22 LEU 65 -2.102 -2.450 12.478 514 HD23 LEU 65 HD23 LEU 65 -1.276 -1.005 11.843 515 H ALA 66 H ALA 66 2.874 -1.000 12.909 516 HA ALA 66 HA ALA 66 4.351 -3.483 13.538 517 HB1 ALA 66 HB1 ALA 66 5.413 -2.604 11.500 518 HB2 ALA 66 HB2 ALA 66 5.595 -1.009 12.268 519 HB3 ALA 66 HB3 ALA 66 6.488 -2.411 12.905 Start of MODEL 8 1 H1 MET 1 H MET 1 8.532 -2.907 10.800 2 HA MET 1 HA MET 1 9.506 -3.376 8.044 3 HB2 MET 1 HB2 MET 1 9.282 -5.409 9.523 4 HB3 MET 1 HB3 MET 1 7.539 -5.080 9.612 5 HG2 MET 1 HG2 MET 1 7.368 -5.276 7.167 6 HG3 MET 1 HG3 MET 1 9.122 -5.487 7.051 7 HE1 MET 1 HE1 MET 1 7.325 -8.685 5.897 8 HE2 MET 1 HE2 MET 1 7.872 -7.054 5.482 9 HE3 MET 1 HE3 MET 1 9.075 -8.318 5.830 10 H LEU 2 H LEU 2 7.856 -3.234 6.347 11 HA LEU 2 HA LEU 2 5.826 -1.215 7.074 12 HB2 LEU 2 HB2 LEU 2 6.699 -2.341 4.380 13 HB3 LEU 2 HB3 LEU 2 5.617 -0.953 4.628 14 HG LEU 2 HG LEU 2 8.505 -1.130 5.605 15 HD11 LEU 2 HD11 LEU 2 8.286 -0.987 3.123 16 HD12 LEU 2 HD12 LEU 2 7.323 0.499 3.326 17 HD13 LEU 2 HD13 LEU 2 9.024 0.463 3.837 18 HD21 LEU 2 HD21 LEU 2 7.081 0.322 7.011 19 HD22 LEU 2 HD22 LEU 2 8.215 1.291 6.051 20 HD23 LEU 2 HD23 LEU 2 6.510 1.177 5.557 21 H LYS 3 H LYS 3 3.631 -1.554 6.968 22 HA LYS 3 HA LYS 3 2.560 -4.095 5.980 23 HB2 LYS 3 HB2 LYS 3 3.589 -4.468 8.278 24 HB3 LYS 3 HB3 LYS 3 2.363 -3.375 8.938 25 HG2 LYS 3 HG2 LYS 3 0.584 -4.886 8.264 26 HG3 LYS 3 HG3 LYS 3 1.718 -5.839 7.272 27 HD2 LYS 3 HD2 LYS 3 3.022 -6.394 9.317 28 HD3 LYS 3 HD3 LYS 3 1.801 -5.566 10.307 29 HE2 LYS 3 HE2 LYS 3 0.082 -7.126 9.552 30 HE3 LYS 3 HE3 LYS 3 1.218 -7.880 8.414 31 HZ1 LYS 3 HZ1 LYS 3 2.536 -8.582 10.261 32 HZ2 LYS 3 HZ2 LYS 3 1.509 -7.867 11.336 33 HZ3 LYS 3 HZ3 LYS 3 0.995 -9.143 10.430 34 H LEU 4 H LEU 4 1.472 -2.515 4.584 35 HA LEU 4 HA LEU 4 0.277 -0.172 5.842 36 HB2 LEU 4 HB2 LEU 4 0.768 -1.231 3.076 37 HB3 LEU 4 HB3 LEU 4 -0.546 -0.060 3.290 38 HG LEU 4 HG LEU 4 1.026 1.492 4.437 39 HD11 LEU 4 HD11 LEU 4 3.112 -0.551 3.561 40 HD12 LEU 4 HD12 LEU 4 3.458 1.059 4.240 41 HD13 LEU 4 HD13 LEU 4 2.662 -0.175 5.240 42 HD21 LEU 4 HD21 LEU 4 0.567 1.661 2.002 43 HD22 LEU 4 HD22 LEU 4 2.231 2.156 2.387 44 HD23 LEU 4 HD23 LEU 4 1.919 0.554 1.676 45 H LYS 5 H LYS 5 -1.616 -0.300 6.883 46 HA LYS 5 HA LYS 5 -3.737 -2.054 5.783 47 HB2 LYS 5 HB2 LYS 5 -3.084 -2.163 8.212 48 HB3 LYS 5 HB3 LYS 5 -3.704 -0.514 8.418 49 HG2 LYS 5 HG2 LYS 5 -5.514 -2.490 7.057 50 HG3 LYS 5 HG3 LYS 5 -5.179 -2.771 8.776 51 HD2 LYS 5 HD2 LYS 5 -5.875 -0.459 9.312 52 HD3 LYS 5 HD3 LYS 5 -6.298 -0.201 7.601 53 HE2 LYS 5 HE2 LYS 5 -7.903 -2.075 7.713 54 HE3 LYS 5 HE3 LYS 5 -7.466 -2.357 9.409 55 HZ1 LYS 5 HZ1 LYS 5 -8.694 0.087 8.337 56 HZ2 LYS 5 HZ2 LYS 5 -9.454 -1.073 9.224 57 HZ3 LYS 5 HZ3 LYS 5 -8.269 -0.159 9.912 58 H VAL 6 H VAL 6 -4.343 -0.857 3.988 59 HA VAL 6 HA VAL 6 -4.559 1.976 3.942 60 HB VAL 6 HB VAL 6 -5.850 -0.108 2.136 61 HG11 VAL 6 HG11 VAL 6 -5.052 2.803 1.695 62 HG12 VAL 6 HG12 VAL 6 -5.692 1.709 0.447 63 HG13 VAL 6 HG13 VAL 6 -6.716 2.182 1.817 64 HG21 VAL 6 HG21 VAL 6 -3.832 0.134 0.753 65 HG22 VAL 6 HG22 VAL 6 -3.128 1.250 1.937 66 HG23 VAL 6 HG23 VAL 6 -3.396 -0.456 2.371 67 H GLU 7 H GLU 7 -6.165 3.345 4.401 68 HA GLU 7 HA GLU 7 -8.778 2.281 5.295 69 HB2 GLU 7 HB2 GLU 7 -7.624 3.978 6.684 70 HB3 GLU 7 HB3 GLU 7 -7.628 5.103 5.314 71 HG2 GLU 7 HG2 GLU 7 -9.474 5.581 6.883 72 HG3 GLU 7 HG3 GLU 7 -10.090 5.101 5.295 73 H GLY 8 H GLY 8 -10.739 2.899 4.238 74 HA2 GLY 8 HA2 GLY 8 -10.372 3.513 1.378 75 HA3 GLY 8 HA3 GLY 8 -11.847 2.921 2.173 76 H MET 9 H MET 9 -9.722 5.790 1.800 77 HA MET 9 HA MET 9 -11.551 7.592 3.098 78 HB2 MET 9 HB2 MET 9 -9.275 8.114 1.158 79 HB3 MET 9 HB3 MET 9 -10.050 9.340 2.178 80 HG2 MET 9 HG2 MET 9 -8.995 6.882 3.537 81 HG3 MET 9 HG3 MET 9 -7.813 8.012 2.871 82 HE1 MET 9 HE1 MET 9 -6.711 8.347 5.173 83 HE2 MET 9 HE2 MET 9 -7.598 8.777 6.652 84 HE3 MET 9 HE3 MET 9 -7.879 7.201 5.875 85 H THR 10 H THR 10 -11.016 6.587 -0.307 86 HA THR 10 HA THR 10 -13.451 8.135 -1.016 87 HB THR 10 HB THR 10 -12.363 8.824 -3.108 88 HG1 THR 10 HG1 THR 10 -10.157 8.460 -3.353 89 HG21 THR 10 HG21 THR 10 -12.253 10.302 -1.110 90 HG22 THR 10 HG22 THR 10 -10.706 9.548 -0.655 91 HG23 THR 10 HG23 THR 10 -10.830 10.487 -2.160 92 H CYS 11 H CYS 11 -14.271 7.489 -3.239 93 HA CYS 11 HA CYS 11 -15.303 5.858 -4.439 94 HB2 CYS 11 HB2 CYS 11 -12.478 4.732 -4.444 95 HB3 CYS 11 HB3 CYS 11 -13.769 4.314 -5.594 96 HG CYS 11 HG CYS 11 -14.184 6.757 -6.422 97 H ASN 12 H ASN 12 -15.524 5.511 -1.586 98 HA ASN 12 HA ASN 12 -14.963 2.842 -0.788 99 HB2 ASN 12 HB2 ASN 12 -16.427 3.336 1.082 100 HB3 ASN 12 HB3 ASN 12 -15.430 4.760 0.736 101 HD21 ASN 12 HD21 ASN 12 -19.435 5.097 0.793 102 HD22 ASN 12 HD22 ASN 12 -18.527 3.756 1.458 103 H HIS 13 H HIS 13 -17.158 3.936 -3.127 104 HA HIS 13 HA HIS 13 -19.212 1.908 -2.590 105 HB2 HIS 13 HB2 HIS 13 -18.749 3.828 -4.903 106 HB3 HIS 13 HB3 HIS 13 -20.142 2.744 -4.741 107 HD1 HIS 13 HD1 HIS 13 -18.738 5.986 -3.257 108 HD2 HIS 13 HD2 HIS 13 -21.984 3.330 -2.863 109 HE1 HIS 13 HE1 HIS 13 -20.467 7.153 -1.789 110 H CYS 14 H CYS 14 -16.084 1.937 -3.828 111 HA CYS 14 HA CYS 14 -16.608 -0.536 -5.387 112 HB2 CYS 14 HB2 CYS 14 -14.704 1.729 -6.112 113 HB3 CYS 14 HB3 CYS 14 -14.829 0.172 -6.960 114 HG CYS 14 HG CYS 14 -15.992 2.012 -8.370 115 H VAL 15 H VAL 15 -14.169 -1.417 -5.877 116 HA VAL 15 HA VAL 15 -13.050 -1.994 -3.234 117 HB VAL 15 HB VAL 15 -13.440 -3.748 -4.958 118 HG11 VAL 15 HG11 VAL 15 -11.974 -3.854 -6.934 119 HG12 VAL 15 HG12 VAL 15 -12.964 -2.378 -6.962 120 HG13 VAL 15 HG13 VAL 15 -11.248 -2.292 -6.496 121 HG21 VAL 15 HG21 VAL 15 -11.267 -4.845 -4.766 122 HG22 VAL 15 HG22 VAL 15 -10.493 -3.301 -4.350 123 HG23 VAL 15 HG23 VAL 15 -11.677 -4.032 -3.238 124 H MET 16 H MET 16 -10.621 -1.754 -2.892 125 HA MET 16 HA MET 16 -9.798 0.857 -4.048 126 HB2 MET 16 HB2 MET 16 -8.697 -0.770 -1.716 127 HB3 MET 16 HB3 MET 16 -8.173 0.858 -2.189 128 HG2 MET 16 HG2 MET 16 -10.470 1.694 -1.783 129 HG3 MET 16 HG3 MET 16 -10.958 0.079 -1.251 130 HE1 MET 16 HE1 MET 16 -8.855 -0.412 2.020 131 HE2 MET 16 HE2 MET 16 -10.056 -1.118 0.914 132 HE3 MET 16 HE3 MET 16 -8.374 -0.888 0.375 133 H ALA 17 H ALA 17 -8.428 0.808 -5.735 134 HA ALA 17 HA ALA 17 -6.765 -1.588 -6.184 135 HB1 ALA 17 HB1 ALA 17 -8.036 -0.643 -8.076 136 HB2 ALA 17 HB2 ALA 17 -7.249 0.933 -7.832 137 HB3 ALA 17 HB3 ALA 17 -6.288 -0.468 -8.357 138 H VAL 18 H VAL 18 -5.267 -1.320 -4.420 139 HA VAL 18 HA VAL 18 -3.671 1.168 -4.475 140 HB VAL 18 HB VAL 18 -3.662 -1.089 -2.442 141 HG11 VAL 18 HG11 VAL 18 -2.742 1.819 -2.331 142 HG12 VAL 18 HG12 VAL 18 -2.726 0.678 -0.967 143 HG13 VAL 18 HG13 VAL 18 -1.681 0.392 -2.371 144 HG21 VAL 18 HG21 VAL 18 -5.227 1.528 -2.460 145 HG22 VAL 18 HG22 VAL 18 -5.922 -0.103 -2.626 146 HG23 VAL 18 HG23 VAL 18 -5.139 0.375 -1.107 147 H THR 19 H THR 19 -3.533 -2.078 -5.612 148 HA THR 19 HA THR 19 -0.996 -2.919 -5.095 149 HB THR 19 HB THR 19 -2.408 -3.168 -7.774 150 HG1 THR 19 HG1 THR 19 -3.274 -5.050 -6.741 151 HG21 THR 19 HG21 THR 19 -1.239 -5.350 -7.849 152 HG22 THR 19 HG22 THR 19 -0.078 -4.007 -7.751 153 HG23 THR 19 HG23 THR 19 -0.442 -4.977 -6.303 154 H LYS 20 H LYS 20 -1.880 -0.687 -7.817 155 HA LYS 20 HA LYS 20 0.771 -0.669 -8.873 156 HB2 LYS 20 HB2 LYS 20 -1.478 1.359 -9.147 157 HB3 LYS 20 HB3 LYS 20 -0.021 1.294 -10.157 158 HG2 LYS 20 HG2 LYS 20 -1.222 -1.335 -10.075 159 HG3 LYS 20 HG3 LYS 20 -2.466 -0.139 -10.500 160 HD2 LYS 20 HD2 LYS 20 -1.012 0.748 -12.292 161 HD3 LYS 20 HD3 LYS 20 0.242 -0.442 -11.863 162 HE2 LYS 20 HE2 LYS 20 -1.364 -2.278 -12.329 163 HE3 LYS 20 HE3 LYS 20 -2.590 -1.081 -12.791 164 HZ1 LYS 20 HZ1 LYS 20 -1.125 -0.359 -14.540 165 HZ2 LYS 20 HZ2 LYS 20 0.002 -1.486 -14.113 166 HZ3 LYS 20 HZ3 LYS 20 -1.470 -1.964 -14.689 167 H ALA 21 H ALA 21 -0.672 1.060 -6.158 168 HA ALA 21 HA ALA 21 1.142 3.287 -6.263 169 HB1 ALA 21 HB1 ALA 21 -0.428 2.141 -3.917 170 HB2 ALA 21 HB2 ALA 21 0.285 3.768 -4.021 171 HB3 ALA 21 HB3 ALA 21 -1.054 3.314 -5.100 172 H LEU 22 H LEU 22 1.362 -0.002 -4.986 173 HA LEU 22 HA LEU 22 3.623 0.615 -3.229 174 HB2 LEU 22 HB2 LEU 22 2.304 -1.937 -4.253 175 HB3 LEU 22 HB3 LEU 22 3.767 -1.949 -3.266 176 HG LEU 22 HG LEU 22 1.894 -2.371 -1.849 177 HD11 LEU 22 HD11 LEU 22 3.759 -0.888 -1.020 178 HD12 LEU 22 HD12 LEU 22 2.716 0.507 -1.361 179 HD13 LEU 22 HD13 LEU 22 2.212 -0.699 -0.158 180 HD21 LEU 22 HD21 LEU 22 0.138 -1.316 -3.229 181 HD22 LEU 22 HD22 LEU 22 0.057 -0.804 -1.528 182 HD23 LEU 22 HD23 LEU 22 0.737 0.293 -2.748 183 H LYS 23 H LYS 23 3.029 -0.785 -6.453 184 HA LYS 23 HA LYS 23 5.626 -1.788 -6.879 185 HB2 LYS 23 HB2 LYS 23 3.437 -2.363 -8.019 186 HB3 LYS 23 HB3 LYS 23 3.640 -0.894 -8.997 187 HG2 LYS 23 HG2 LYS 23 5.783 -1.761 -9.862 188 HG3 LYS 23 HG3 LYS 23 5.651 -3.183 -8.799 189 HD2 LYS 23 HD2 LYS 23 3.532 -3.816 -9.927 190 HD3 LYS 23 HD3 LYS 23 3.704 -2.422 -11.020 191 HE2 LYS 23 HE2 LYS 23 5.858 -3.342 -11.848 192 HE3 LYS 23 HE3 LYS 23 5.694 -4.698 -10.714 193 HZ1 LYS 23 HZ1 LYS 23 3.467 -5.004 -11.915 194 HZ2 LYS 23 HZ2 LYS 23 4.169 -4.147 -13.118 195 HZ3 LYS 23 HZ3 LYS 23 4.866 -5.555 -12.626 196 H LYS 24 H LYS 24 4.402 1.523 -7.275 197 HA LYS 24 HA LYS 24 6.498 2.204 -9.182 198 HB2 LYS 24 HB2 LYS 24 4.486 3.867 -7.622 199 HB3 LYS 24 HB3 LYS 24 5.635 4.533 -8.807 200 HG2 LYS 24 HG2 LYS 24 4.724 3.023 -10.546 201 HG3 LYS 24 HG3 LYS 24 3.538 2.396 -9.380 202 HD2 LYS 24 HD2 LYS 24 2.607 4.675 -9.104 203 HD3 LYS 24 HD3 LYS 24 3.809 5.303 -10.258 204 HE2 LYS 24 HE2 LYS 24 2.905 3.790 -12.004 205 HE3 LYS 24 HE3 LYS 24 1.683 3.205 -10.858 206 HZ1 LYS 24 HZ1 LYS 24 0.840 5.437 -10.721 207 HZ2 LYS 24 HZ2 LYS 24 1.975 5.981 -11.782 208 HZ3 LYS 24 HZ3 LYS 24 0.826 4.918 -12.287 209 H VAL 25 H VAL 25 6.430 1.857 -5.736 210 HA VAL 25 HA VAL 25 8.263 4.030 -5.197 211 HB VAL 25 HB VAL 25 7.338 1.598 -3.647 212 HG11 VAL 25 HG11 VAL 25 8.387 2.646 -1.661 213 HG12 VAL 25 HG12 VAL 25 9.601 2.188 -2.874 214 HG13 VAL 25 HG13 VAL 25 9.111 3.891 -2.705 215 HG21 VAL 25 HG21 VAL 25 6.823 4.553 -3.163 216 HG22 VAL 25 HG22 VAL 25 5.769 3.550 -4.203 217 HG23 VAL 25 HG23 VAL 25 5.961 3.171 -2.480 218 HA PRO 26 HA PRO 26 11.897 2.065 -6.811 219 HB2 PRO 26 HB2 PRO 26 13.172 3.837 -4.731 220 HB3 PRO 26 HB3 PRO 26 13.631 3.625 -6.454 221 HG2 PRO 26 HG2 PRO 26 12.262 5.826 -5.678 222 HG3 PRO 26 HG3 PRO 26 11.790 4.959 -7.180 223 HD2 PRO 26 HD2 PRO 26 10.520 4.794 -4.440 224 HD3 PRO 26 HD3 PRO 26 9.736 4.908 -6.049 225 H GLY 27 H GLY 27 13.093 0.266 -6.189 226 HA2 GLY 27 HA2 GLY 27 14.332 -1.058 -4.704 227 HA3 GLY 27 HA3 GLY 27 13.612 -0.204 -3.328 228 H VAL 28 H VAL 28 10.861 -0.598 -4.777 229 HA VAL 28 HA VAL 28 10.222 -3.092 -3.414 230 HB VAL 28 HB VAL 28 8.627 -1.184 -5.170 231 HG11 VAL 28 HG11 VAL 28 7.704 -3.453 -5.373 232 HG12 VAL 28 HG12 VAL 28 7.697 -3.622 -3.601 233 HG13 VAL 28 HG13 VAL 28 6.635 -2.432 -4.388 234 HG21 VAL 28 HG21 VAL 28 8.632 -1.746 -2.172 235 HG22 VAL 28 HG22 VAL 28 9.302 -0.300 -2.963 236 HG23 VAL 28 HG23 VAL 28 7.551 -0.608 -3.009 237 H GLU 29 H GLU 29 10.119 -5.103 -4.314 238 HA GLU 29 HA GLU 29 10.320 -5.263 -7.285 239 HB2 GLU 29 HB2 GLU 29 12.442 -5.861 -6.281 240 HB3 GLU 29 HB3 GLU 29 11.646 -6.989 -5.168 241 HG2 GLU 29 HG2 GLU 29 10.909 -8.381 -7.051 242 HG3 GLU 29 HG3 GLU 29 11.579 -7.210 -8.209 243 H LYS 30 H LYS 30 8.864 -6.469 -4.279 244 HA LYS 30 HA LYS 30 6.902 -7.915 -5.982 245 HB2 LYS 30 HB2 LYS 30 8.064 -8.905 -3.352 246 HB3 LYS 30 HB3 LYS 30 6.775 -9.689 -4.288 247 HG2 LYS 30 HG2 LYS 30 8.354 -9.939 -6.206 248 HG3 LYS 30 HG3 LYS 30 9.644 -9.230 -5.205 249 HD2 LYS 30 HD2 LYS 30 9.270 -11.056 -3.518 250 HD3 LYS 30 HD3 LYS 30 8.080 -11.777 -4.623 251 HE2 LYS 30 HE2 LYS 30 9.779 -12.888 -5.586 252 HE3 LYS 30 HE3 LYS 30 10.335 -11.331 -6.231 253 HZ1 LYS 30 HZ1 LYS 30 11.624 -11.063 -4.215 254 HZ2 LYS 30 HZ2 LYS 30 11.119 -12.530 -3.662 255 HZ3 LYS 30 HZ3 LYS 30 12.057 -12.438 -5.017 256 H VAL 31 H VAL 31 4.765 -7.999 -5.101 257 HA VAL 31 HA VAL 31 4.250 -6.335 -2.713 258 HB VAL 31 HB VAL 31 2.979 -5.916 -5.445 259 HG11 VAL 31 HG11 VAL 31 2.470 -4.519 -2.787 260 HG12 VAL 31 HG12 VAL 31 1.769 -4.051 -4.355 261 HG13 VAL 31 HG13 VAL 31 1.349 -5.615 -3.630 262 HG21 VAL 31 HG21 VAL 31 4.550 -3.878 -3.847 263 HG22 VAL 31 HG22 VAL 31 5.324 -4.935 -5.071 264 HG23 VAL 31 HG23 VAL 31 4.042 -3.802 -5.534 265 H GLU 32 H GLU 32 2.307 -6.904 -1.666 266 HA GLU 32 HA GLU 32 0.597 -8.969 -2.897 267 HB2 GLU 32 HB2 GLU 32 2.305 -10.237 -1.658 268 HB3 GLU 32 HB3 GLU 32 2.002 -9.253 -0.207 269 HG2 GLU 32 HG2 GLU 32 -0.338 -10.042 -0.152 270 HG3 GLU 32 HG3 GLU 32 -0.057 -10.995 -1.620 271 H VAL 33 H VAL 33 -1.507 -8.424 -2.527 272 HA VAL 33 HA VAL 33 -2.064 -6.676 -0.184 273 HB VAL 33 HB VAL 33 -3.649 -5.430 -1.692 274 HG11 VAL 33 HG11 VAL 33 -1.432 -4.525 -1.103 275 HG12 VAL 33 HG12 VAL 33 -0.708 -5.378 -2.487 276 HG13 VAL 33 HG13 VAL 33 -1.888 -4.075 -2.761 277 HG21 VAL 33 HG21 VAL 33 -2.075 -6.822 -3.906 278 HG22 VAL 33 HG22 VAL 33 -3.754 -7.214 -3.474 279 HG23 VAL 33 HG23 VAL 33 -3.351 -5.603 -4.109 280 H SER 34 H SER 34 -4.233 -6.750 0.589 281 HA SER 34 HA SER 34 -5.809 -9.105 -0.328 282 HB2 SER 34 HB2 SER 34 -4.619 -9.678 1.743 283 HB3 SER 34 HB3 SER 34 -5.274 -8.227 2.537 284 HG SER 34 HG SER 34 -6.457 -10.225 2.904 285 H LEU 35 H LEU 35 -7.639 -8.316 -1.202 286 HA LEU 35 HA LEU 35 -8.485 -5.632 -0.834 287 HB2 LEU 35 HB2 LEU 35 -9.985 -8.060 -1.893 288 HB3 LEU 35 HB3 LEU 35 -10.485 -6.375 -2.118 289 HG LEU 35 HG LEU 35 -7.850 -7.544 -3.106 290 HD11 LEU 35 HD11 LEU 35 -8.904 -7.411 -5.340 291 HD12 LEU 35 HD12 LEU 35 -9.788 -8.523 -4.272 292 HD13 LEU 35 HD13 LEU 35 -10.431 -6.894 -4.589 293 HD21 LEU 35 HD21 LEU 35 -7.740 -5.436 -4.408 294 HD22 LEU 35 HD22 LEU 35 -9.258 -4.894 -3.660 295 HD23 LEU 35 HD23 LEU 35 -7.804 -5.093 -2.665 296 H GLU 36 H GLU 36 -9.299 -8.581 0.983 297 HA GLU 36 HA GLU 36 -11.783 -7.409 1.958 298 HB2 GLU 36 HB2 GLU 36 -10.247 -9.899 2.791 299 HB3 GLU 36 HB3 GLU 36 -11.879 -9.456 3.343 300 HG2 GLU 36 HG2 GLU 36 -12.657 -9.444 0.978 301 HG3 GLU 36 HG3 GLU 36 -11.043 -9.970 0.459 302 H LYS 37 H LYS 37 -8.422 -7.687 3.109 303 HA LYS 37 HA LYS 37 -9.282 -6.484 5.683 304 HB2 LYS 37 HB2 LYS 37 -6.682 -7.848 4.873 305 HB3 LYS 37 HB3 LYS 37 -6.982 -7.039 6.427 306 HG2 LYS 37 HG2 LYS 37 -7.624 -9.121 7.065 307 HG3 LYS 37 HG3 LYS 37 -9.175 -8.589 6.392 308 HD2 LYS 37 HD2 LYS 37 -8.547 -9.695 4.226 309 HD3 LYS 37 HD3 LYS 37 -7.034 -10.252 4.984 310 HE2 LYS 37 HE2 LYS 37 -8.348 -11.450 6.710 311 HE3 LYS 37 HE3 LYS 37 -9.853 -10.887 5.958 312 HZ1 LYS 37 HZ1 LYS 37 -9.319 -13.094 5.275 313 HZ2 LYS 37 HZ2 LYS 37 -9.228 -12.084 3.979 314 HZ3 LYS 37 HZ3 LYS 37 -7.848 -12.626 4.702 315 H GLY 38 H GLY 38 -8.070 -5.583 2.630 316 HA2 GLY 38 HA2 GLY 38 -7.386 -3.529 1.872 317 HA3 GLY 38 HA3 GLY 38 -7.786 -2.859 3.467 318 H GLU 39 H GLU 39 -5.539 -5.575 3.282 319 HA GLU 39 HA GLU 39 -3.440 -3.765 4.319 320 HB2 GLU 39 HB2 GLU 39 -3.644 -6.798 4.139 321 HB3 GLU 39 HB3 GLU 39 -2.294 -5.906 4.868 322 HG2 GLU 39 HG2 GLU 39 -3.869 -4.855 6.476 323 HG3 GLU 39 HG3 GLU 39 -5.198 -5.803 5.777 324 H ALA 40 H ALA 40 -1.277 -3.878 3.537 325 HA ALA 40 HA ALA 40 -0.862 -5.015 0.858 326 HB1 ALA 40 HB1 ALA 40 -0.198 -2.957 -0.124 327 HB2 ALA 40 HB2 ALA 40 -1.731 -2.619 0.689 328 HB3 ALA 40 HB3 ALA 40 -0.208 -2.109 1.452 329 H LEU 41 H LEU 41 0.772 -6.301 1.238 330 HA LEU 41 HA LEU 41 3.013 -5.480 3.009 331 HB2 LEU 41 HB2 LEU 41 2.293 -8.164 1.743 332 HB3 LEU 41 HB3 LEU 41 3.646 -7.863 2.832 333 HG LEU 41 HG LEU 41 1.999 -8.880 4.154 334 HD11 LEU 41 HD11 LEU 41 3.027 -6.879 5.200 335 HD12 LEU 41 HD12 LEU 41 1.669 -5.887 4.610 336 HD13 LEU 41 HD13 LEU 41 1.376 -7.183 5.791 337 HD21 LEU 41 HD21 LEU 41 -0.327 -8.246 4.274 338 HD22 LEU 41 HD22 LEU 41 -0.073 -6.881 3.173 339 HD23 LEU 41 HD23 LEU 41 0.096 -8.551 2.575 340 H VAL 42 H VAL 42 5.188 -5.580 2.195 341 HA VAL 42 HA VAL 42 5.460 -6.071 -0.712 342 HB VAL 42 HB VAL 42 6.953 -4.117 -0.901 343 HG11 VAL 42 HG11 VAL 42 5.228 -2.524 -1.185 344 HG12 VAL 42 HG12 VAL 42 4.447 -4.095 -1.406 345 HG13 VAL 42 HG13 VAL 42 4.242 -3.225 0.134 346 HG21 VAL 42 HG21 VAL 42 5.899 -3.378 1.863 347 HG22 VAL 42 HG22 VAL 42 7.560 -3.903 1.501 348 HG23 VAL 42 HG23 VAL 42 6.945 -2.378 0.829 349 H GLU 43 H GLU 43 7.756 -6.409 -1.338 350 HA GLU 43 HA GLU 43 9.517 -7.176 0.917 351 HB2 GLU 43 HB2 GLU 43 8.355 -9.221 0.157 352 HB3 GLU 43 HB3 GLU 43 8.929 -8.931 -1.499 353 HG2 GLU 43 HG2 GLU 43 11.260 -9.114 -0.756 354 HG3 GLU 43 HG3 GLU 43 10.734 -9.273 0.931 355 H GLY 44 H GLY 44 10.796 -5.377 0.579 356 HA2 GLY 44 HA2 GLY 44 12.592 -5.454 -1.694 357 HA3 GLY 44 HA3 GLY 44 11.468 -4.077 -1.729 358 H THR 45 H THR 45 13.755 -3.046 -1.590 359 HA THR 45 HA THR 45 14.527 -2.716 1.268 360 HB THR 45 HB THR 45 16.776 -2.138 0.334 361 HG1 THR 45 HG1 THR 45 17.049 -2.853 -1.893 362 HG21 THR 45 HG21 THR 45 15.676 -4.853 -0.515 363 HG22 THR 45 HG22 THR 45 17.388 -4.453 -0.249 364 HG23 THR 45 HG23 THR 45 16.248 -4.432 1.116 365 H ALA 46 H ALA 46 12.374 -1.284 -0.196 366 HA ALA 46 HA ALA 46 13.380 1.297 -0.993 367 HB1 ALA 46 HB1 ALA 46 10.990 1.875 -1.082 368 HB2 ALA 46 HB2 ALA 46 11.261 0.277 -1.819 369 HB3 ALA 46 HB3 ALA 46 10.583 0.396 -0.180 370 H ASP 47 H ASP 47 12.427 3.339 0.082 371 HA ASP 47 HA ASP 47 13.264 3.365 2.853 372 HB2 ASP 47 HB2 ASP 47 13.573 5.210 1.118 373 HB3 ASP 47 HB3 ASP 47 11.848 5.572 1.325 374 HA PRO 48 HA PRO 48 9.399 2.344 4.700 375 HB2 PRO 48 HB2 PRO 48 10.348 4.348 6.753 376 HB3 PRO 48 HB3 PRO 48 9.644 2.719 7.026 377 HG2 PRO 48 HG2 PRO 48 12.316 3.059 7.191 378 HG3 PRO 48 HG3 PRO 48 11.657 1.655 6.281 379 HD2 PRO 48 HD2 PRO 48 12.697 4.275 5.188 380 HD3 PRO 48 HD3 PRO 48 12.975 2.606 4.595 381 H LYS 49 H LYS 49 10.360 5.842 4.685 382 HA LYS 49 HA LYS 49 7.617 6.706 5.017 383 HB2 LYS 49 HB2 LYS 49 10.034 8.264 4.014 384 HB3 LYS 49 HB3 LYS 49 8.511 8.934 4.627 385 HG2 LYS 49 HG2 LYS 49 8.982 7.784 6.820 386 HG3 LYS 49 HG3 LYS 49 10.604 7.373 6.211 387 HD2 LYS 49 HD2 LYS 49 9.789 10.212 5.828 388 HD3 LYS 49 HD3 LYS 49 9.927 9.709 7.525 389 HE2 LYS 49 HE2 LYS 49 12.209 8.904 7.153 390 HE3 LYS 49 HE3 LYS 49 12.091 9.318 5.430 391 HZ1 LYS 49 HZ1 LYS 49 11.763 11.606 6.089 392 HZ2 LYS 49 HZ2 LYS 49 11.963 11.207 7.675 393 HZ3 LYS 49 HZ3 LYS 49 13.212 11.026 6.614 394 H ALA 50 H ALA 50 9.731 5.975 2.264 395 HA ALA 50 HA ALA 50 8.301 7.508 0.337 396 HB1 ALA 50 HB1 ALA 50 10.589 6.657 -0.014 397 HB2 ALA 50 HB2 ALA 50 9.975 4.985 0.001 398 HB3 ALA 50 HB3 ALA 50 9.498 6.097 -1.301 399 H LEU 51 H LEU 51 7.858 4.210 1.637 400 HA LEU 51 HA LEU 51 6.010 3.412 -0.403 401 HB2 LEU 51 HB2 LEU 51 7.378 1.988 1.314 402 HB3 LEU 51 HB3 LEU 51 6.038 2.337 2.426 403 HG LEU 51 HG LEU 51 4.490 1.494 0.526 404 HD11 LEU 51 HD11 LEU 51 5.602 -0.089 -1.057 405 HD12 LEU 51 HD12 LEU 51 6.189 1.570 -1.281 406 HD13 LEU 51 HD13 LEU 51 7.184 0.387 -0.404 407 HD21 LEU 51 HD21 LEU 51 5.081 0.226 2.618 408 HD22 LEU 51 HD22 LEU 51 4.749 -0.819 1.213 409 HD23 LEU 51 HD23 LEU 51 6.424 -0.521 1.728 410 H VAL 52 H VAL 52 5.619 4.635 2.957 411 HA VAL 52 HA VAL 52 2.773 4.537 2.922 412 HB VAL 52 HB VAL 52 4.674 6.182 4.640 413 HG11 VAL 52 HG11 VAL 52 1.800 5.261 5.077 414 HG12 VAL 52 HG12 VAL 52 2.819 6.048 6.301 415 HG13 VAL 52 HG13 VAL 52 2.340 6.941 4.841 416 HG21 VAL 52 HG21 VAL 52 4.472 4.282 6.216 417 HG22 VAL 52 HG22 VAL 52 3.490 3.400 5.022 418 HG23 VAL 52 HG23 VAL 52 5.197 3.765 4.678 419 H GLN 53 H GLN 53 5.064 6.920 1.651 420 HA GLN 53 HA GLN 53 3.012 9.014 1.661 421 HB2 GLN 53 HB2 GLN 53 5.449 9.501 1.975 422 HB3 GLN 53 HB3 GLN 53 5.739 8.962 0.304 423 HG2 GLN 53 HG2 GLN 53 4.132 10.688 -0.501 424 HG3 GLN 53 HG3 GLN 53 3.884 11.225 1.170 425 HE21 GLN 53 HE21 GLN 53 6.539 13.241 -0.787 426 HE22 GLN 53 HE22 GLN 53 4.992 12.602 -1.295 427 H ALA 54 H ALA 54 4.441 6.652 -0.610 428 HA ALA 54 HA ALA 54 3.432 7.779 -2.984 429 HB1 ALA 54 HB1 ALA 54 3.421 4.844 -2.939 430 HB2 ALA 54 HB2 ALA 54 4.354 5.965 -3.936 431 HB3 ALA 54 HB3 ALA 54 4.934 5.557 -2.305 432 H VAL 55 H VAL 55 1.920 5.442 -0.685 433 HA VAL 55 HA VAL 55 -0.401 5.073 -2.338 434 HB VAL 55 HB VAL 55 -1.349 4.030 -0.322 435 HG11 VAL 55 HG11 VAL 55 1.423 2.976 -0.268 436 HG12 VAL 55 HG12 VAL 55 -0.107 2.159 -0.585 437 HG13 VAL 55 HG13 VAL 55 0.659 3.097 -1.886 438 HG21 VAL 55 HG21 VAL 55 -0.406 5.547 1.396 439 HG22 VAL 55 HG22 VAL 55 -0.012 3.851 1.743 440 HG23 VAL 55 HG23 VAL 55 1.224 4.923 1.048 441 H GLU 56 H GLU 56 0.539 7.486 0.103 442 HA GLU 56 HA GLU 56 -2.164 8.488 0.419 443 HB2 GLU 56 HB2 GLU 56 -0.465 8.774 2.161 444 HB3 GLU 56 HB3 GLU 56 0.562 9.699 1.046 445 HG2 GLU 56 HG2 GLU 56 -1.165 11.444 0.865 446 HG3 GLU 56 HG3 GLU 56 -2.252 10.500 1.900 447 H GLU 57 H GLU 57 0.506 8.959 -1.833 448 HA GLU 57 HA GLU 57 -0.389 11.465 -2.895 449 HB2 GLU 57 HB2 GLU 57 1.911 10.451 -3.092 450 HB3 GLU 57 HB3 GLU 57 1.245 9.290 -4.261 451 HG2 GLU 57 HG2 GLU 57 0.569 11.115 -5.737 452 HG3 GLU 57 HG3 GLU 57 1.074 12.326 -4.544 453 H GLU 58 H GLU 58 -1.423 8.150 -3.209 454 HA GLU 58 HA GLU 58 -2.959 8.690 -5.670 455 HB2 GLU 58 HB2 GLU 58 -2.634 6.227 -3.906 456 HB3 GLU 58 HB3 GLU 58 -3.607 6.284 -5.389 457 HG2 GLU 58 HG2 GLU 58 -0.617 6.864 -5.230 458 HG3 GLU 58 HG3 GLU 58 -1.341 5.346 -5.785 459 H GLY 59 H GLY 59 -3.301 9.184 -2.331 460 HA2 GLY 59 HA2 GLY 59 -5.239 10.186 -1.415 461 HA3 GLY 59 HA3 GLY 59 -6.229 9.429 -2.676 462 H TYR 60 H TYR 60 -3.952 7.221 -1.336 463 HA TYR 60 HA TYR 60 -6.040 6.163 0.514 464 HB2 TYR 60 HB2 TYR 60 -4.263 4.707 -1.469 465 HB3 TYR 60 HB3 TYR 60 -5.168 3.904 -0.184 466 HD1 TYR 60 HD1 TYR 60 -5.393 5.542 -3.452 467 HD2 TYR 60 HD2 TYR 60 -7.619 3.818 -0.203 468 HE1 TYR 60 HE1 TYR 60 -7.394 5.397 -4.908 469 HE2 TYR 60 HE2 TYR 60 -9.624 3.665 -1.648 470 HH TYR 60 HH TYR 60 -10.517 4.093 -3.710 471 H LYS 61 H LYS 61 -5.029 7.095 2.349 472 HA LYS 61 HA LYS 61 -2.245 6.672 2.948 473 HB2 LYS 61 HB2 LYS 61 -4.649 7.282 4.721 474 HB3 LYS 61 HB3 LYS 61 -2.951 7.361 5.245 475 HG2 LYS 61 HG2 LYS 61 -2.472 9.076 3.568 476 HG3 LYS 61 HG3 LYS 61 -4.128 8.959 2.931 477 HD2 LYS 61 HD2 LYS 61 -5.029 9.712 5.100 478 HD3 LYS 61 HD3 LYS 61 -3.375 9.840 5.751 479 HE2 LYS 61 HE2 LYS 61 -2.811 11.519 4.055 480 HE3 LYS 61 HE3 LYS 61 -4.405 11.332 3.301 481 HZ1 LYS 61 HZ1 LYS 61 -4.310 13.239 4.719 482 HZ2 LYS 61 HZ2 LYS 61 -5.395 12.147 5.306 483 HZ3 LYS 61 HZ3 LYS 61 -3.919 12.315 6.026 484 H ALA 62 H ALA 62 -1.493 5.291 4.814 485 HA ALA 62 HA ALA 62 -3.165 2.970 5.470 486 HB1 ALA 62 HB1 ALA 62 -2.254 2.431 3.232 487 HB2 ALA 62 HB2 ALA 62 -0.609 2.709 3.838 488 HB3 ALA 62 HB3 ALA 62 -1.582 1.366 4.491 489 H GLU 63 H GLU 63 -2.818 2.786 7.613 490 HA GLU 63 HA GLU 63 -0.444 3.780 8.897 491 HB2 GLU 63 HB2 GLU 63 -2.740 3.671 9.920 492 HB3 GLU 63 HB3 GLU 63 -2.587 1.901 9.967 493 HG2 GLU 63 HG2 GLU 63 -0.479 2.180 11.307 494 HG3 GLU 63 HG3 GLU 63 -0.768 3.929 11.342 495 H VAL 64 H VAL 64 1.522 2.757 8.678 496 HA VAL 64 HA VAL 64 1.879 0.002 8.136 497 HB VAL 64 HB VAL 64 4.196 0.434 9.038 498 HG11 VAL 64 HG11 VAL 64 2.965 2.355 7.029 499 HG12 VAL 64 HG12 VAL 64 4.724 2.189 7.290 500 HG13 VAL 64 HG13 VAL 64 3.771 0.809 6.705 501 HG21 VAL 64 HG21 VAL 64 3.079 3.238 9.487 502 HG22 VAL 64 HG22 VAL 64 3.645 2.124 10.755 503 HG23 VAL 64 HG23 VAL 64 4.793 2.777 9.572 504 H LEU 65 H LEU 65 1.351 -1.698 9.388 505 HA LEU 65 HA LEU 65 0.772 -1.281 12.236 506 HB2 LEU 65 HB2 LEU 65 0.722 -3.764 10.471 507 HB3 LEU 65 HB3 LEU 65 0.167 -3.696 12.155 508 HG LEU 65 HG LEU 65 -0.985 -2.075 9.842 509 HD11 LEU 65 HD11 LEU 65 -2.066 -4.468 11.392 510 HD12 LEU 65 HD12 LEU 65 -2.946 -3.559 10.140 511 HD13 LEU 65 HD13 LEU 65 -1.493 -4.489 9.708 512 HD21 LEU 65 HD21 LEU 65 -2.771 -1.524 11.492 513 HD22 LEU 65 HD22 LEU 65 -1.839 -2.357 12.758 514 HD23 LEU 65 HD23 LEU 65 -1.191 -0.888 11.991 515 H ALA 66 H ALA 66 3.080 -0.540 12.571 516 HA ALA 66 HA ALA 66 4.696 -2.834 13.431 517 HB1 ALA 66 HB1 ALA 66 5.453 -2.434 11.121 518 HB2 ALA 66 HB2 ALA 66 5.718 -0.713 11.497 519 HB3 ALA 66 HB3 ALA 66 6.711 -1.961 12.287 Start of MODEL 9 1 H1 MET 1 H MET 1 8.693 -3.851 10.803 2 HA MET 1 HA MET 1 9.274 -4.098 7.908 3 HB2 MET 1 HB2 MET 1 8.998 -6.265 9.123 4 HB3 MET 1 HB3 MET 1 7.364 -5.760 9.598 5 HG2 MET 1 HG2 MET 1 6.746 -5.548 7.215 6 HG3 MET 1 HG3 MET 1 8.384 -6.024 6.744 7 HE1 MET 1 HE1 MET 1 5.570 -8.615 5.820 8 HE2 MET 1 HE2 MET 1 6.298 -7.051 5.424 9 HE3 MET 1 HE3 MET 1 7.249 -8.539 5.208 10 H LEU 2 H LEU 2 7.635 -3.429 6.450 11 HA LEU 2 HA LEU 2 5.739 -1.518 7.651 12 HB2 LEU 2 HB2 LEU 2 6.430 -2.158 4.757 13 HB3 LEU 2 HB3 LEU 2 5.406 -0.811 5.307 14 HG LEU 2 HG LEU 2 8.324 -1.231 6.102 15 HD11 LEU 2 HD11 LEU 2 8.045 -0.680 3.701 16 HD12 LEU 2 HD12 LEU 2 7.107 0.765 4.157 17 HD13 LEU 2 HD13 LEU 2 8.822 0.631 4.611 18 HD21 LEU 2 HD21 LEU 2 7.016 0.011 7.790 19 HD22 LEU 2 HD22 LEU 2 8.142 1.094 6.947 20 HD23 LEU 2 HD23 LEU 2 6.415 1.108 6.523 21 H LYS 3 H LYS 3 3.442 -1.594 7.131 22 HA LYS 3 HA LYS 3 2.346 -4.102 6.103 23 HB2 LYS 3 HB2 LYS 3 3.228 -4.390 8.521 24 HB3 LYS 3 HB3 LYS 3 1.883 -3.355 9.020 25 HG2 LYS 3 HG2 LYS 3 0.273 -4.979 8.198 26 HG3 LYS 3 HG3 LYS 3 1.561 -5.883 7.357 27 HD2 LYS 3 HD2 LYS 3 2.676 -6.248 9.574 28 HD3 LYS 3 HD3 LYS 3 1.247 -5.561 10.370 29 HE2 LYS 3 HE2 LYS 3 -0.158 -7.333 9.417 30 HE3 LYS 3 HE3 LYS 3 1.225 -7.961 8.497 31 HZ1 LYS 3 HZ1 LYS 3 2.322 -8.401 10.580 32 HZ2 LYS 3 HZ2 LYS 3 1.013 -7.867 11.424 33 HZ3 LYS 3 HZ3 LYS 3 0.890 -9.214 10.480 34 H LEU 4 H LEU 4 1.349 -2.524 4.637 35 HA LEU 4 HA LEU 4 0.201 -0.095 5.790 36 HB2 LEU 4 HB2 LEU 4 0.761 -1.229 3.065 37 HB3 LEU 4 HB3 LEU 4 -0.516 -0.008 3.206 38 HG LEU 4 HG LEU 4 1.075 1.508 4.386 39 HD11 LEU 4 HD11 LEU 4 3.118 -0.603 3.573 40 HD12 LEU 4 HD12 LEU 4 3.488 0.988 4.278 41 HD13 LEU 4 HD13 LEU 4 2.623 -0.233 5.240 42 HD21 LEU 4 HD21 LEU 4 0.682 1.670 1.941 43 HD22 LEU 4 HD22 LEU 4 2.358 2.098 2.358 44 HD23 LEU 4 HD23 LEU 4 1.995 0.503 1.659 45 H LYS 5 H LYS 5 -1.623 -0.414 6.948 46 HA LYS 5 HA LYS 5 -3.786 -2.023 5.759 47 HB2 LYS 5 HB2 LYS 5 -3.096 -2.142 8.203 48 HB3 LYS 5 HB3 LYS 5 -3.783 -0.519 8.411 49 HG2 LYS 5 HG2 LYS 5 -5.500 -2.542 7.010 50 HG3 LYS 5 HG3 LYS 5 -5.168 -2.849 8.725 51 HD2 LYS 5 HD2 LYS 5 -5.972 -0.596 9.318 52 HD3 LYS 5 HD3 LYS 5 -6.360 -0.284 7.607 53 HE2 LYS 5 HE2 LYS 5 -7.911 -2.191 7.592 54 HE3 LYS 5 HE3 LYS 5 -7.476 -2.584 9.266 55 HZ1 LYS 5 HZ1 LYS 5 -8.772 -0.101 8.379 56 HZ2 LYS 5 HZ2 LYS 5 -9.508 -1.358 9.149 57 HZ3 LYS 5 HZ3 LYS 5 -8.362 -0.472 9.932 58 H VAL 6 H VAL 6 -4.505 -0.830 4.036 59 HA VAL 6 HA VAL 6 -4.620 1.999 3.921 60 HB VAL 6 HB VAL 6 -6.097 -0.083 2.264 61 HG11 VAL 6 HG11 VAL 6 -5.176 2.763 1.667 62 HG12 VAL 6 HG12 VAL 6 -5.921 1.654 0.493 63 HG13 VAL 6 HG13 VAL 6 -6.863 2.237 1.882 64 HG21 VAL 6 HG21 VAL 6 -4.131 0.009 0.790 65 HG22 VAL 6 HG22 VAL 6 -3.325 1.129 1.909 66 HG23 VAL 6 HG23 VAL 6 -3.659 -0.547 2.408 67 H GLU 7 H GLU 7 -6.183 3.466 4.296 68 HA GLU 7 HA GLU 7 -8.673 2.596 5.615 69 HB2 GLU 7 HB2 GLU 7 -7.309 4.453 6.572 70 HB3 GLU 7 HB3 GLU 7 -7.526 5.370 5.068 71 HG2 GLU 7 HG2 GLU 7 -9.117 6.137 6.752 72 HG3 GLU 7 HG3 GLU 7 -9.990 5.342 5.432 73 H GLY 8 H GLY 8 -10.764 3.162 4.765 74 HA2 GLY 8 HA2 GLY 8 -10.814 3.286 1.830 75 HA3 GLY 8 HA3 GLY 8 -12.185 2.997 2.918 76 H MET 9 H MET 9 -9.826 5.596 2.046 77 HA MET 9 HA MET 9 -11.457 7.700 3.094 78 HB2 MET 9 HB2 MET 9 -9.192 7.696 1.072 79 HB3 MET 9 HB3 MET 9 -9.834 9.154 1.855 80 HG2 MET 9 HG2 MET 9 -8.990 6.892 3.637 81 HG3 MET 9 HG3 MET 9 -7.721 7.773 2.781 82 HE1 MET 9 HE1 MET 9 -6.538 8.485 4.952 83 HE2 MET 9 HE2 MET 9 -7.362 9.240 6.336 84 HE3 MET 9 HE3 MET 9 -7.755 7.568 5.871 85 H THR 10 H THR 10 -11.131 6.285 -0.207 86 HA THR 10 HA THR 10 -13.448 7.956 -1.025 87 HB THR 10 HB THR 10 -12.271 8.370 -3.192 88 HG1 THR 10 HG1 THR 10 -9.949 8.046 -3.053 89 HG21 THR 10 HG21 THR 10 -12.270 10.076 -1.393 90 HG22 THR 10 HG22 THR 10 -10.787 9.357 -0.720 91 HG23 THR 10 HG23 THR 10 -10.759 10.108 -2.331 92 H CYS 11 H CYS 11 -14.304 7.237 -3.182 93 HA CYS 11 HA CYS 11 -15.409 5.604 -4.315 94 HB2 CYS 11 HB2 CYS 11 -12.606 4.426 -4.347 95 HB3 CYS 11 HB3 CYS 11 -13.917 4.040 -5.487 96 HG CYS 11 HG CYS 11 -14.282 6.490 -6.314 97 H ASN 12 H ASN 12 -15.633 5.292 -1.467 98 HA ASN 12 HA ASN 12 -15.106 2.597 -0.681 99 HB2 ASN 12 HB2 ASN 12 -16.540 3.116 1.219 100 HB3 ASN 12 HB3 ASN 12 -15.417 4.447 0.902 101 HD21 ASN 12 HD21 ASN 12 -19.308 5.252 1.174 102 HD22 ASN 12 HD22 ASN 12 -18.525 3.803 1.767 103 H HIS 13 H HIS 13 -17.230 3.742 -3.022 104 HA HIS 13 HA HIS 13 -19.345 1.759 -2.504 105 HB2 HIS 13 HB2 HIS 13 -18.817 3.695 -4.792 106 HB3 HIS 13 HB3 HIS 13 -20.234 2.643 -4.661 107 HD1 HIS 13 HD1 HIS 13 -18.859 5.914 -3.281 108 HD2 HIS 13 HD2 HIS 13 -22.051 3.223 -2.723 109 HE1 HIS 13 HE1 HIS 13 -20.597 7.121 -1.856 110 H CYS 14 H CYS 14 -16.213 1.833 -3.807 111 HA CYS 14 HA CYS 14 -16.738 -0.617 -5.401 112 HB2 CYS 14 HB2 CYS 14 -14.881 1.687 -6.120 113 HB3 CYS 14 HB3 CYS 14 -15.049 0.165 -7.025 114 HG CYS 14 HG CYS 14 -16.269 2.114 -8.269 115 H VAL 15 H VAL 15 -14.251 -1.385 -6.020 116 HA VAL 15 HA VAL 15 -13.049 -2.010 -3.414 117 HB VAL 15 HB VAL 15 -13.410 -3.754 -5.149 118 HG11 VAL 15 HG11 VAL 15 -12.012 -3.764 -7.172 119 HG12 VAL 15 HG12 VAL 15 -13.053 -2.324 -7.139 120 HG13 VAL 15 HG13 VAL 15 -11.328 -2.184 -6.726 121 HG21 VAL 15 HG21 VAL 15 -11.197 -4.769 -5.026 122 HG22 VAL 15 HG22 VAL 15 -10.459 -3.202 -4.636 123 HG23 VAL 15 HG23 VAL 15 -11.576 -3.974 -3.482 124 H MET 16 H MET 16 -10.651 -1.694 -3.134 125 HA MET 16 HA MET 16 -9.884 0.946 -4.271 126 HB2 MET 16 HB2 MET 16 -9.013 -0.613 -1.806 127 HB3 MET 16 HB3 MET 16 -8.301 0.938 -2.304 128 HG2 MET 16 HG2 MET 16 -10.401 2.074 -2.077 129 HG3 MET 16 HG3 MET 16 -11.275 0.552 -1.872 130 HE1 MET 16 HE1 MET 16 -10.658 -0.594 1.671 131 HE2 MET 16 HE2 MET 16 -11.603 -0.737 0.173 132 HE3 MET 16 HE3 MET 16 -9.879 -1.180 0.181 133 H ALA 17 H ALA 17 -8.367 1.003 -5.795 134 HA ALA 17 HA ALA 17 -6.731 -1.392 -6.330 135 HB1 ALA 17 HB1 ALA 17 -7.896 -0.240 -8.197 136 HB2 ALA 17 HB2 ALA 17 -7.034 1.263 -7.803 137 HB3 ALA 17 HB3 ALA 17 -6.130 -0.151 -8.390 138 H VAL 18 H VAL 18 -5.266 -1.332 -4.545 139 HA VAL 18 HA VAL 18 -3.654 1.135 -4.249 140 HB VAL 18 HB VAL 18 -3.782 -1.376 -2.536 141 HG11 VAL 18 HG11 VAL 18 -2.692 1.418 -1.985 142 HG12 VAL 18 HG12 VAL 18 -2.769 0.081 -0.814 143 HG13 VAL 18 HG13 VAL 18 -1.718 -0.050 -2.235 144 HG21 VAL 18 HG21 VAL 18 -5.176 1.314 -2.204 145 HG22 VAL 18 HG22 VAL 18 -5.971 -0.220 -2.633 146 HG23 VAL 18 HG23 VAL 18 -5.213 -0.032 -1.041 147 H THR 19 H THR 19 -3.510 -2.018 -5.684 148 HA THR 19 HA THR 19 -0.951 -2.843 -5.189 149 HB THR 19 HB THR 19 -2.430 -3.059 -7.834 150 HG1 THR 19 HG1 THR 19 -3.200 -4.988 -6.835 151 HG21 THR 19 HG21 THR 19 -1.180 -5.188 -8.032 152 HG22 THR 19 HG22 THR 19 -0.071 -3.801 -7.941 153 HG23 THR 19 HG23 THR 19 -0.327 -4.828 -6.512 154 H LYS 20 H LYS 20 -1.875 -0.561 -7.869 155 HA LYS 20 HA LYS 20 0.763 -0.516 -8.943 156 HB2 LYS 20 HB2 LYS 20 -1.490 1.517 -9.116 157 HB3 LYS 20 HB3 LYS 20 -0.019 1.548 -10.105 158 HG2 LYS 20 HG2 LYS 20 -1.170 -1.103 -10.220 159 HG3 LYS 20 HG3 LYS 20 -2.425 0.103 -10.588 160 HD2 LYS 20 HD2 LYS 20 -0.951 1.143 -12.272 161 HD3 LYS 20 HD3 LYS 20 0.320 -0.048 -11.904 162 HE2 LYS 20 HE2 LYS 20 -1.197 -1.879 -12.579 163 HE3 LYS 20 HE3 LYS 20 -2.472 -0.695 -12.936 164 HZ1 LYS 20 HZ1 LYS 20 -1.024 0.262 -14.585 165 HZ2 LYS 20 HZ2 LYS 20 0.142 -0.860 -14.265 166 HZ3 LYS 20 HZ3 LYS 20 -1.302 -1.331 -14.905 167 H ALA 21 H ALA 21 -0.627 1.163 -6.164 168 HA ALA 21 HA ALA 21 1.216 3.367 -6.252 169 HB1 ALA 21 HB1 ALA 21 -0.373 2.214 -3.926 170 HB2 ALA 21 HB2 ALA 21 0.385 3.824 -3.996 171 HB3 ALA 21 HB3 ALA 21 -0.965 3.428 -5.084 172 H LEU 22 H LEU 22 1.437 0.049 -5.059 173 HA LEU 22 HA LEU 22 3.706 0.645 -3.294 174 HB2 LEU 22 HB2 LEU 22 2.336 -1.890 -4.287 175 HB3 LEU 22 HB3 LEU 22 3.825 -1.925 -3.339 176 HG LEU 22 HG LEU 22 1.994 -2.313 -1.864 177 HD11 LEU 22 HD11 LEU 22 3.900 -0.835 -1.109 178 HD12 LEU 22 HD12 LEU 22 2.849 0.562 -1.418 179 HD13 LEU 22 HD13 LEU 22 2.383 -0.636 -0.196 180 HD21 LEU 22 HD21 LEU 22 0.204 -1.254 -3.189 181 HD22 LEU 22 HD22 LEU 22 0.190 -0.718 -1.494 182 HD23 LEU 22 HD23 LEU 22 0.838 0.355 -2.753 183 H LYS 23 H LYS 23 3.090 -0.778 -6.518 184 HA LYS 23 HA LYS 23 5.688 -1.799 -6.887 185 HB2 LYS 23 HB2 LYS 23 3.528 -2.405 -8.060 186 HB3 LYS 23 HB3 LYS 23 3.754 -0.962 -9.073 187 HG2 LYS 23 HG2 LYS 23 5.930 -1.838 -9.840 188 HG3 LYS 23 HG3 LYS 23 5.769 -3.234 -8.748 189 HD2 LYS 23 HD2 LYS 23 3.720 -3.937 -9.950 190 HD3 LYS 23 HD3 LYS 23 3.892 -2.549 -11.050 191 HE2 LYS 23 HE2 LYS 23 6.106 -3.411 -11.785 192 HE3 LYS 23 HE3 LYS 23 5.931 -4.767 -10.655 193 HZ1 LYS 23 HZ1 LYS 23 3.770 -5.145 -11.944 194 HZ2 LYS 23 HZ2 LYS 23 4.481 -4.257 -13.116 195 HZ3 LYS 23 HZ3 LYS 23 5.213 -5.641 -12.608 196 H LYS 24 H LYS 24 4.512 1.509 -7.324 197 HA LYS 24 HA LYS 24 6.636 2.171 -9.210 198 HB2 LYS 24 HB2 LYS 24 4.652 3.850 -7.629 199 HB3 LYS 24 HB3 LYS 24 5.848 4.523 -8.756 200 HG2 LYS 24 HG2 LYS 24 4.920 3.131 -10.584 201 HG3 LYS 24 HG3 LYS 24 3.669 2.519 -9.474 202 HD2 LYS 24 HD2 LYS 24 2.858 4.821 -9.107 203 HD3 LYS 24 HD3 LYS 24 4.142 5.453 -10.162 204 HE2 LYS 24 HE2 LYS 24 3.218 4.168 -12.062 205 HE3 LYS 24 HE3 LYS 24 1.925 3.548 -11.012 206 HZ1 LYS 24 HZ1 LYS 24 1.198 5.799 -10.685 207 HZ2 LYS 24 HZ2 LYS 24 2.397 6.378 -11.653 208 HZ3 LYS 24 HZ3 LYS 24 1.206 5.435 -12.290 209 H VAL 25 H VAL 25 6.528 1.777 -5.771 210 HA VAL 25 HA VAL 25 8.322 3.926 -5.116 211 HB VAL 25 HB VAL 25 7.476 1.379 -3.715 212 HG11 VAL 25 HG11 VAL 25 8.467 2.348 -1.665 213 HG12 VAL 25 HG12 VAL 25 9.708 2.025 -2.896 214 HG13 VAL 25 HG13 VAL 25 9.136 3.688 -2.625 215 HG21 VAL 25 HG21 VAL 25 6.829 4.272 -3.061 216 HG22 VAL 25 HG22 VAL 25 5.829 3.292 -4.173 217 HG23 VAL 25 HG23 VAL 25 6.024 2.811 -2.476 218 HA PRO 26 HA PRO 26 12.066 2.185 -6.759 219 HB2 PRO 26 HB2 PRO 26 13.204 3.877 -4.536 220 HB3 PRO 26 HB3 PRO 26 13.741 3.769 -6.245 221 HG2 PRO 26 HG2 PRO 26 12.262 5.881 -5.425 222 HG3 PRO 26 HG3 PRO 26 11.869 5.068 -6.980 223 HD2 PRO 26 HD2 PRO 26 10.522 4.728 -4.292 224 HD3 PRO 26 HD3 PRO 26 9.783 4.892 -5.918 225 H GLY 27 H GLY 27 13.054 0.261 -6.247 226 HA2 GLY 27 HA2 GLY 27 14.346 -1.133 -4.862 227 HA3 GLY 27 HA3 GLY 27 13.731 -0.294 -3.428 228 H VAL 28 H VAL 28 10.879 -0.584 -4.753 229 HA VAL 28 HA VAL 28 10.264 -3.102 -3.418 230 HB VAL 28 HB VAL 28 8.627 -1.148 -5.087 231 HG11 VAL 28 HG11 VAL 28 7.695 -3.411 -5.326 232 HG12 VAL 28 HG12 VAL 28 7.733 -3.627 -3.559 233 HG13 VAL 28 HG13 VAL 28 6.654 -2.415 -4.287 234 HG21 VAL 28 HG21 VAL 28 8.705 -1.797 -2.106 235 HG22 VAL 28 HG22 VAL 28 9.342 -0.321 -2.871 236 HG23 VAL 28 HG23 VAL 28 7.593 -0.646 -2.883 237 H GLU 29 H GLU 29 10.211 -5.098 -4.358 238 HA GLU 29 HA GLU 29 10.415 -5.167 -7.336 239 HB2 GLU 29 HB2 GLU 29 12.474 -5.854 -6.139 240 HB3 GLU 29 HB3 GLU 29 11.543 -7.084 -5.258 241 HG2 GLU 29 HG2 GLU 29 10.939 -8.147 -7.432 242 HG3 GLU 29 HG3 GLU 29 11.930 -6.941 -8.278 243 H LYS 30 H LYS 30 8.902 -6.486 -4.401 244 HA LYS 30 HA LYS 30 6.891 -7.783 -6.155 245 HB2 LYS 30 HB2 LYS 30 8.149 -8.992 -3.662 246 HB3 LYS 30 HB3 LYS 30 6.814 -9.696 -4.605 247 HG2 LYS 30 HG2 LYS 30 8.281 -9.777 -6.608 248 HG3 LYS 30 HG3 LYS 30 9.614 -9.090 -5.652 249 HD2 LYS 30 HD2 LYS 30 9.484 -11.055 -4.110 250 HD3 LYS 30 HD3 LYS 30 8.213 -11.741 -5.151 251 HE2 LYS 30 HE2 LYS 30 9.869 -12.689 -6.346 252 HE3 LYS 30 HE3 LYS 30 10.223 -11.063 -6.961 253 HZ1 LYS 30 HZ1 LYS 30 11.752 -10.805 -5.117 254 HZ2 LYS 30 HZ2 LYS 30 11.426 -12.336 -4.596 255 HZ3 LYS 30 HZ3 LYS 30 12.161 -12.096 -6.054 256 H VAL 31 H VAL 31 4.781 -7.937 -5.207 257 HA VAL 31 HA VAL 31 4.340 -6.391 -2.726 258 HB VAL 31 HB VAL 31 3.013 -5.835 -5.405 259 HG11 VAL 31 HG11 VAL 31 2.578 -4.547 -2.680 260 HG12 VAL 31 HG12 VAL 31 1.852 -4.003 -4.213 261 HG13 VAL 31 HG13 VAL 31 1.425 -5.591 -3.547 262 HG21 VAL 31 HG21 VAL 31 4.646 -3.885 -3.762 263 HG22 VAL 31 HG22 VAL 31 5.376 -4.898 -5.048 264 HG23 VAL 31 HG23 VAL 31 4.096 -3.733 -5.431 265 H GLU 32 H GLU 32 2.385 -6.943 -1.680 266 HA GLU 32 HA GLU 32 0.616 -8.906 -2.976 267 HB2 GLU 32 HB2 GLU 32 2.309 -10.279 -1.821 268 HB3 GLU 32 HB3 GLU 32 1.992 -9.405 -0.301 269 HG2 GLU 32 HG2 GLU 32 -0.346 -10.171 -0.322 270 HG3 GLU 32 HG3 GLU 32 -0.102 -10.930 -1.905 271 H VAL 33 H VAL 33 -1.480 -8.411 -2.517 272 HA VAL 33 HA VAL 33 -1.966 -6.721 -0.119 273 HB VAL 33 HB VAL 33 -3.558 -5.392 -1.449 274 HG11 VAL 33 HG11 VAL 33 -1.203 -4.644 -1.211 275 HG12 VAL 33 HG12 VAL 33 -0.783 -5.512 -2.706 276 HG13 VAL 33 HG13 VAL 33 -1.906 -4.135 -2.763 277 HG21 VAL 33 HG21 VAL 33 -2.466 -6.979 -3.814 278 HG22 VAL 33 HG22 VAL 33 -4.115 -7.096 -3.155 279 HG23 VAL 33 HG23 VAL 33 -3.565 -5.586 -3.912 280 H SER 34 H SER 34 -4.124 -6.812 0.705 281 HA SER 34 HA SER 34 -5.683 -9.196 -0.166 282 HB2 SER 34 HB2 SER 34 -4.451 -9.695 1.912 283 HB3 SER 34 HB3 SER 34 -5.147 -8.247 2.679 284 HG SER 34 HG SER 34 -6.263 -10.251 3.115 285 H LEU 35 H LEU 35 -7.302 -8.203 -1.254 286 HA LEU 35 HA LEU 35 -8.192 -5.572 -0.736 287 HB2 LEU 35 HB2 LEU 35 -9.572 -7.881 -2.157 288 HB3 LEU 35 HB3 LEU 35 -10.031 -6.174 -2.297 289 HG LEU 35 HG LEU 35 -7.301 -7.297 -3.065 290 HD11 LEU 35 HD11 LEU 35 -8.083 -6.982 -5.388 291 HD12 LEU 35 HD12 LEU 35 -9.103 -8.152 -4.521 292 HD13 LEU 35 HD13 LEU 35 -9.684 -6.492 -4.784 293 HD21 LEU 35 HD21 LEU 35 -7.047 -5.100 -4.193 294 HD22 LEU 35 HD22 LEU 35 -8.619 -4.588 -3.538 295 HD23 LEU 35 HD23 LEU 35 -7.256 -4.911 -2.440 296 H GLU 36 H GLU 36 -9.079 -8.593 0.843 297 HA GLU 36 HA GLU 36 -11.683 -7.548 1.655 298 HB2 GLU 36 HB2 GLU 36 -10.131 -10.033 2.468 299 HB3 GLU 36 HB3 GLU 36 -11.795 -9.648 2.970 300 HG2 GLU 36 HG2 GLU 36 -12.473 -9.520 0.583 301 HG3 GLU 36 HG3 GLU 36 -10.833 -10.002 0.101 302 H LYS 37 H LYS 37 -8.404 -7.738 3.023 303 HA LYS 37 HA LYS 37 -9.474 -6.633 5.563 304 HB2 LYS 37 HB2 LYS 37 -6.797 -7.914 4.895 305 HB3 LYS 37 HB3 LYS 37 -7.194 -7.118 6.434 306 HG2 LYS 37 HG2 LYS 37 -7.816 -9.224 7.022 307 HG3 LYS 37 HG3 LYS 37 -9.347 -8.699 6.301 308 HD2 LYS 37 HD2 LYS 37 -8.633 -9.777 4.147 309 HD3 LYS 37 HD3 LYS 37 -7.145 -10.335 4.955 310 HE2 LYS 37 HE2 LYS 37 -8.498 -11.566 6.610 311 HE3 LYS 37 HE3 LYS 37 -9.989 -10.972 5.853 312 HZ1 LYS 37 HZ1 LYS 37 -9.454 -13.174 5.143 313 HZ2 LYS 37 HZ2 LYS 37 -9.380 -12.140 3.866 314 HZ3 LYS 37 HZ3 LYS 37 -7.989 -12.693 4.564 315 H GLY 38 H GLY 38 -8.077 -5.618 2.623 316 HA2 GLY 38 HA2 GLY 38 -7.431 -3.506 1.966 317 HA3 GLY 38 HA3 GLY 38 -7.903 -2.908 3.573 318 H GLU 39 H GLU 39 -5.647 -5.592 3.428 319 HA GLU 39 HA GLU 39 -3.565 -3.795 4.532 320 HB2 GLU 39 HB2 GLU 39 -3.868 -6.827 4.389 321 HB3 GLU 39 HB3 GLU 39 -2.494 -5.978 5.145 322 HG2 GLU 39 HG2 GLU 39 -4.078 -4.846 6.691 323 HG3 GLU 39 HG3 GLU 39 -5.430 -5.695 5.931 324 H ALA 40 H ALA 40 -1.347 -3.989 3.769 325 HA ALA 40 HA ALA 40 -0.974 -5.150 1.094 326 HB1 ALA 40 HB1 ALA 40 -0.277 -3.120 0.076 327 HB2 ALA 40 HB2 ALA 40 -1.813 -2.746 0.856 328 HB3 ALA 40 HB3 ALA 40 -0.297 -2.234 1.629 329 H LEU 41 H LEU 41 0.893 -6.154 1.080 330 HA LEU 41 HA LEU 41 3.053 -5.353 2.979 331 HB2 LEU 41 HB2 LEU 41 2.417 -8.082 1.768 332 HB3 LEU 41 HB3 LEU 41 3.762 -7.711 2.846 333 HG LEU 41 HG LEU 41 2.170 -8.795 4.177 334 HD11 LEU 41 HD11 LEU 41 3.131 -6.756 5.210 335 HD12 LEU 41 HD12 LEU 41 1.729 -5.818 4.635 336 HD13 LEU 41 HD13 LEU 41 1.500 -7.126 5.818 337 HD21 LEU 41 HD21 LEU 41 -0.179 -8.243 4.323 338 HD22 LEU 41 HD22 LEU 41 0.014 -6.886 3.200 339 HD23 LEU 41 HD23 LEU 41 0.241 -8.555 2.624 340 H VAL 42 H VAL 42 5.218 -5.476 2.145 341 HA VAL 42 HA VAL 42 5.457 -6.011 -0.760 342 HB VAL 42 HB VAL 42 6.996 -4.102 -1.000 343 HG11 VAL 42 HG11 VAL 42 5.306 -2.488 -1.328 344 HG12 VAL 42 HG12 VAL 42 4.494 -4.049 -1.497 345 HG13 VAL 42 HG13 VAL 42 4.310 -3.127 0.012 346 HG21 VAL 42 HG21 VAL 42 5.988 -3.269 1.753 347 HG22 VAL 42 HG22 VAL 42 7.637 -3.825 1.378 348 HG23 VAL 42 HG23 VAL 42 7.029 -2.311 0.676 349 H GLU 43 H GLU 43 7.742 -6.358 -1.413 350 HA GLU 43 HA GLU 43 9.512 -7.200 0.808 351 HB2 GLU 43 HB2 GLU 43 8.308 -9.206 -0.016 352 HB3 GLU 43 HB3 GLU 43 8.878 -8.861 -1.665 353 HG2 GLU 43 HG2 GLU 43 11.229 -9.030 -0.866 354 HG3 GLU 43 HG3 GLU 43 10.638 -9.389 0.767 355 H GLY 44 H GLY 44 10.667 -5.270 0.434 356 HA2 GLY 44 HA2 GLY 44 12.496 -5.370 -1.838 357 HA3 GLY 44 HA3 GLY 44 11.376 -3.990 -1.834 358 H THR 45 H THR 45 13.652 -2.957 -1.707 359 HA THR 45 HA THR 45 14.487 -2.699 1.142 360 HB THR 45 HB THR 45 16.713 -2.109 0.184 361 HG1 THR 45 HG1 THR 45 16.999 -2.629 -2.039 362 HG21 THR 45 HG21 THR 45 15.595 -4.787 -0.750 363 HG22 THR 45 HG22 THR 45 17.312 -4.398 -0.494 364 HG23 THR 45 HG23 THR 45 16.194 -4.428 0.888 365 H ALA 46 H ALA 46 12.309 -1.205 -0.281 366 HA ALA 46 HA ALA 46 13.366 1.384 -0.997 367 HB1 ALA 46 HB1 ALA 46 10.993 2.002 -1.113 368 HB2 ALA 46 HB2 ALA 46 11.244 0.414 -1.881 369 HB3 ALA 46 HB3 ALA 46 10.540 0.513 -0.254 370 H ASP 47 H ASP 47 12.491 3.413 0.116 371 HA ASP 47 HA ASP 47 13.239 3.359 2.903 372 HB2 ASP 47 HB2 ASP 47 13.628 5.225 1.218 373 HB3 ASP 47 HB3 ASP 47 11.903 5.614 1.366 374 HA PRO 48 HA PRO 48 9.316 2.558 4.733 375 HB2 PRO 48 HB2 PRO 48 10.213 4.659 6.700 376 HB3 PRO 48 HB3 PRO 48 9.524 3.036 7.039 377 HG2 PRO 48 HG2 PRO 48 12.187 3.439 7.261 378 HG3 PRO 48 HG3 PRO 48 11.580 1.970 6.420 379 HD2 PRO 48 HD2 PRO 48 12.591 4.545 5.201 380 HD3 PRO 48 HD3 PRO 48 12.933 2.852 4.719 381 H LYS 49 H LYS 49 10.362 6.011 4.430 382 HA LYS 49 HA LYS 49 7.645 6.992 4.688 383 HB2 LYS 49 HB2 LYS 49 10.117 8.338 3.516 384 HB3 LYS 49 HB3 LYS 49 8.605 9.133 3.988 385 HG2 LYS 49 HG2 LYS 49 8.978 8.325 6.333 386 HG3 LYS 49 HG3 LYS 49 10.587 7.737 5.840 387 HD2 LYS 49 HD2 LYS 49 9.964 10.523 4.999 388 HD3 LYS 49 HD3 LYS 49 10.018 10.284 6.758 389 HE2 LYS 49 HE2 LYS 49 12.243 9.278 6.605 390 HE3 LYS 49 HE3 LYS 49 12.208 9.431 4.835 391 HZ1 LYS 49 HZ1 LYS 49 12.045 11.804 5.115 392 HZ2 LYS 49 HZ2 LYS 49 12.124 11.651 6.755 393 HZ3 LYS 49 HZ3 LYS 49 13.413 11.217 5.823 394 H ALA 50 H ALA 50 9.855 6.175 1.986 395 HA ALA 50 HA ALA 50 8.360 7.401 -0.060 396 HB1 ALA 50 HB1 ALA 50 10.661 6.552 -0.333 397 HB2 ALA 50 HB2 ALA 50 10.069 4.882 -0.159 398 HB3 ALA 50 HB3 ALA 50 9.574 5.860 -1.560 399 H LEU 51 H LEU 51 7.989 4.236 1.545 400 HA LEU 51 HA LEU 51 6.134 3.210 -0.376 401 HB2 LEU 51 HB2 LEU 51 7.565 1.981 1.429 402 HB3 LEU 51 HB3 LEU 51 6.239 2.391 2.536 403 HG LEU 51 HG LEU 51 4.675 1.350 0.752 404 HD11 LEU 51 HD11 LEU 51 5.814 -0.353 -0.698 405 HD12 LEU 51 HD12 LEU 51 6.300 1.304 -1.109 406 HD13 LEU 51 HD13 LEU 51 7.386 0.268 -0.155 407 HD21 LEU 51 HD21 LEU 51 5.347 0.280 2.927 408 HD22 LEU 51 HD22 LEU 51 5.023 -0.890 1.623 409 HD23 LEU 51 HD23 LEU 51 6.697 -0.496 2.074 410 H VAL 52 H VAL 52 5.640 4.481 2.976 411 HA VAL 52 HA VAL 52 2.809 4.351 2.817 412 HB VAL 52 HB VAL 52 4.607 6.027 4.614 413 HG11 VAL 52 HG11 VAL 52 1.748 5.016 4.940 414 HG12 VAL 52 HG12 VAL 52 2.702 5.821 6.208 415 HG13 VAL 52 HG13 VAL 52 2.248 6.713 4.741 416 HG21 VAL 52 HG21 VAL 52 4.411 4.116 6.171 417 HG22 VAL 52 HG22 VAL 52 3.496 3.208 4.945 418 HG23 VAL 52 HG23 VAL 52 5.202 3.625 4.658 419 H GLN 53 H GLN 53 5.093 6.759 1.628 420 HA GLN 53 HA GLN 53 3.036 8.843 1.608 421 HB2 GLN 53 HB2 GLN 53 5.438 9.331 2.044 422 HB3 GLN 53 HB3 GLN 53 5.823 8.813 0.387 423 HG2 GLN 53 HG2 GLN 53 4.296 10.562 -0.495 424 HG3 GLN 53 HG3 GLN 53 3.909 11.058 1.164 425 HE21 GLN 53 HE21 GLN 53 6.666 13.191 -0.451 426 HE22 GLN 53 HE22 GLN 53 5.138 12.608 -1.072 427 H ALA 54 H ALA 54 4.491 6.488 -0.655 428 HA ALA 54 HA ALA 54 3.569 7.693 -3.040 429 HB1 ALA 54 HB1 ALA 54 3.481 4.766 -3.069 430 HB2 ALA 54 HB2 ALA 54 4.475 5.883 -4.012 431 HB3 ALA 54 HB3 ALA 54 4.999 5.408 -2.381 432 H VAL 55 H VAL 55 1.982 5.351 -0.802 433 HA VAL 55 HA VAL 55 -0.345 5.051 -2.470 434 HB VAL 55 HB VAL 55 -1.352 4.057 -0.460 435 HG11 VAL 55 HG11 VAL 55 1.382 2.911 -0.352 436 HG12 VAL 55 HG12 VAL 55 -0.169 2.139 -0.683 437 HG13 VAL 55 HG13 VAL 55 0.647 3.038 -1.983 438 HG21 VAL 55 HG21 VAL 55 -0.370 5.546 1.263 439 HG22 VAL 55 HG22 VAL 55 -0.046 3.837 1.621 440 HG23 VAL 55 HG23 VAL 55 1.239 4.857 0.933 441 H GLU 56 H GLU 56 0.686 7.401 -0.034 442 HA GLU 56 HA GLU 56 -1.956 8.553 0.273 443 HB2 GLU 56 HB2 GLU 56 -0.198 8.686 2.003 444 HB3 GLU 56 HB3 GLU 56 0.810 9.652 0.908 445 HG2 GLU 56 HG2 GLU 56 -0.905 11.424 0.872 446 HG3 GLU 56 HG3 GLU 56 -1.967 10.432 1.895 447 H GLU 57 H GLU 57 0.672 8.832 -2.049 448 HA GLU 57 HA GLU 57 -0.027 11.435 -3.041 449 HB2 GLU 57 HB2 GLU 57 2.146 10.220 -3.368 450 HB3 GLU 57 HB3 GLU 57 1.300 9.087 -4.444 451 HG2 GLU 57 HG2 GLU 57 0.674 10.960 -5.931 452 HG3 GLU 57 HG3 GLU 57 1.506 12.097 -4.847 453 H GLU 58 H GLU 58 -1.290 8.189 -3.387 454 HA GLU 58 HA GLU 58 -2.997 8.898 -5.687 455 HB2 GLU 58 HB2 GLU 58 -2.677 6.382 -4.004 456 HB3 GLU 58 HB3 GLU 58 -3.794 6.530 -5.375 457 HG2 GLU 58 HG2 GLU 58 -0.785 6.960 -5.510 458 HG3 GLU 58 HG3 GLU 58 -1.606 5.461 -5.983 459 H GLY 59 H GLY 59 -2.984 9.310 -2.320 460 HA2 GLY 59 HA2 GLY 59 -4.687 10.455 -1.177 461 HA3 GLY 59 HA3 GLY 59 -5.885 9.861 -2.342 462 H TYR 60 H TYR 60 -3.985 7.208 -1.575 463 HA TYR 60 HA TYR 60 -5.961 6.408 0.495 464 HB2 TYR 60 HB2 TYR 60 -4.261 4.758 -1.398 465 HB3 TYR 60 HB3 TYR 60 -5.390 4.108 -0.200 466 HD1 TYR 60 HD1 TYR 60 -5.016 5.440 -3.537 467 HD2 TYR 60 HD2 TYR 60 -7.850 4.621 -0.413 468 HE1 TYR 60 HE1 TYR 60 -6.862 5.579 -5.186 469 HE2 TYR 60 HE2 TYR 60 -9.708 4.769 -2.047 470 HH TYR 60 HH TYR 60 -10.298 5.205 -4.238 471 H LYS 61 H LYS 61 -4.939 7.225 2.321 472 HA LYS 61 HA LYS 61 -2.181 6.689 2.935 473 HB2 LYS 61 HB2 LYS 61 -4.560 7.338 4.731 474 HB3 LYS 61 HB3 LYS 61 -2.851 7.382 5.224 475 HG2 LYS 61 HG2 LYS 61 -2.381 9.093 3.519 476 HG3 LYS 61 HG3 LYS 61 -4.072 9.046 2.975 477 HD2 LYS 61 HD2 LYS 61 -4.822 9.822 5.194 478 HD3 LYS 61 HD3 LYS 61 -3.135 9.844 5.762 479 HE2 LYS 61 HE2 LYS 61 -2.569 11.485 3.990 480 HE3 LYS 61 HE3 LYS 61 -4.259 11.474 3.444 481 HZ1 LYS 61 HZ1 LYS 61 -3.801 13.310 4.893 482 HZ2 LYS 61 HZ2 LYS 61 -4.893 12.293 5.595 483 HZ3 LYS 61 HZ3 LYS 61 -3.322 12.298 6.103 484 H ALA 62 H ALA 62 -1.485 5.288 4.790 485 HA ALA 62 HA ALA 62 -3.204 2.989 5.395 486 HB1 ALA 62 HB1 ALA 62 -2.273 2.417 3.191 487 HB2 ALA 62 HB2 ALA 62 -0.626 2.674 3.804 488 HB3 ALA 62 HB3 ALA 62 -1.628 1.354 4.461 489 H GLU 63 H GLU 63 -2.955 2.848 7.569 490 HA GLU 63 HA GLU 63 -0.604 3.821 8.888 491 HB2 GLU 63 HB2 GLU 63 -2.906 3.808 9.845 492 HB3 GLU 63 HB3 GLU 63 -2.835 2.031 9.918 493 HG2 GLU 63 HG2 GLU 63 -0.860 2.169 11.391 494 HG3 GLU 63 HG3 GLU 63 -0.914 3.944 11.323 495 H VAL 64 H VAL 64 1.343 2.786 8.662 496 HA VAL 64 HA VAL 64 1.687 0.009 8.246 497 HB VAL 64 HB VAL 64 4.018 0.481 9.092 498 HG11 VAL 64 HG11 VAL 64 2.765 2.302 7.003 499 HG12 VAL 64 HG12 VAL 64 4.526 2.146 7.255 500 HG13 VAL 64 HG13 VAL 64 3.566 0.740 6.752 501 HG21 VAL 64 HG21 VAL 64 2.913 3.307 9.421 502 HG22 VAL 64 HG22 VAL 64 3.502 2.254 10.730 503 HG23 VAL 64 HG23 VAL 64 4.627 2.845 9.494 504 H LEU 65 H LEU 65 1.199 -1.639 9.595 505 HA LEU 65 HA LEU 65 0.637 -1.073 12.411 506 HB2 LEU 65 HB2 LEU 65 0.685 -3.656 10.802 507 HB3 LEU 65 HB3 LEU 65 0.111 -3.508 12.474 508 HG LEU 65 HG LEU 65 -1.068 -2.046 10.070 509 HD11 LEU 65 HD11 LEU 65 -2.092 -4.411 11.698 510 HD12 LEU 65 HD12 LEU 65 -2.974 -3.588 10.390 511 HD13 LEU 65 HD13 LEU 65 -1.481 -4.483 10.028 512 HD21 LEU 65 HD21 LEU 65 -2.894 -1.488 11.663 513 HD22 LEU 65 HD22 LEU 65 -1.970 -2.252 12.978 514 HD23 LEU 65 HD23 LEU 65 -1.345 -0.789 12.176 515 H ALA 66 H ALA 66 2.903 -0.236 12.716 516 HA ALA 66 HA ALA 66 4.599 -2.419 13.723 517 HB1 ALA 66 HB1 ALA 66 5.395 -2.058 11.414 518 HB2 ALA 66 HB2 ALA 66 5.568 -0.318 11.739 519 HB3 ALA 66 HB3 ALA 66 6.597 -1.490 12.596 Start of MODEL 10 1 H1 MET 1 H MET 1 9.182 -4.274 9.764 2 HA MET 1 HA MET 1 9.547 -3.966 6.843 3 HB2 MET 1 HB2 MET 1 9.558 -6.334 7.668 4 HB3 MET 1 HB3 MET 1 7.908 -6.086 8.280 5 HG2 MET 1 HG2 MET 1 7.154 -5.524 5.984 6 HG3 MET 1 HG3 MET 1 8.816 -5.702 5.406 7 HE1 MET 1 HE1 MET 1 6.126 -8.930 7.125 8 HE2 MET 1 HE2 MET 1 5.989 -7.168 7.240 9 HE3 MET 1 HE3 MET 1 5.402 -7.999 5.780 10 H LEU 2 H LEU 2 7.687 -3.333 5.632 11 HA LEU 2 HA LEU 2 5.890 -1.627 7.206 12 HB2 LEU 2 HB2 LEU 2 6.240 -2.013 4.205 13 HB3 LEU 2 HB3 LEU 2 5.283 -0.734 4.983 14 HG LEU 2 HG LEU 2 8.279 -1.161 5.394 15 HD11 LEU 2 HD11 LEU 2 7.759 -0.437 3.096 16 HD12 LEU 2 HD12 LEU 2 6.785 0.910 3.739 17 HD13 LEU 2 HD13 LEU 2 8.543 0.864 4.016 18 HD21 LEU 2 HD21 LEU 2 6.409 1.108 6.199 19 HD22 LEU 2 HD22 LEU 2 7.144 -0.075 7.309 20 HD23 LEU 2 HD23 LEU 2 8.172 1.079 6.437 21 H LYS 3 H LYS 3 3.572 -1.656 6.925 22 HA LYS 3 HA LYS 3 2.350 -4.103 5.848 23 HB2 LYS 3 HB2 LYS 3 3.181 -3.896 8.580 24 HB3 LYS 3 HB3 LYS 3 1.410 -3.736 8.556 25 HG2 LYS 3 HG2 LYS 3 1.191 -5.801 7.280 26 HG3 LYS 3 HG3 LYS 3 2.961 -5.927 7.132 27 HD2 LYS 3 HD2 LYS 3 3.148 -6.103 9.599 28 HD3 LYS 3 HD3 LYS 3 1.371 -6.065 9.727 29 HE2 LYS 3 HE2 LYS 3 1.209 -8.102 8.364 30 HE3 LYS 3 HE3 LYS 3 2.965 -8.100 8.111 31 HZ1 LYS 3 HZ1 LYS 3 3.246 -8.399 10.460 32 HZ2 LYS 3 HZ2 LYS 3 1.615 -8.424 10.699 33 HZ3 LYS 3 HZ3 LYS 3 2.341 -9.615 9.820 34 H LEU 4 H LEU 4 1.434 -2.443 4.440 35 HA LEU 4 HA LEU 4 0.331 -0.051 5.672 36 HB2 LEU 4 HB2 LEU 4 0.834 -1.123 2.919 37 HB3 LEU 4 HB3 LEU 4 -0.444 0.094 3.098 38 HG LEU 4 HG LEU 4 1.136 1.594 4.287 39 HD11 LEU 4 HD11 LEU 4 3.162 -0.564 3.568 40 HD12 LEU 4 HD12 LEU 4 3.556 1.045 4.224 41 HD13 LEU 4 HD13 LEU 4 2.642 -0.118 5.209 42 HD21 LEU 4 HD21 LEU 4 0.829 1.771 1.836 43 HD22 LEU 4 HD22 LEU 4 2.495 2.177 2.307 44 HD23 LEU 4 HD23 LEU 4 2.135 0.589 1.588 45 H LYS 5 H LYS 5 -1.428 -0.406 6.889 46 HA LYS 5 HA LYS 5 -3.726 -1.914 5.826 47 HB2 LYS 5 HB2 LYS 5 -3.062 -2.084 8.229 48 HB3 LYS 5 HB3 LYS 5 -3.318 -0.334 8.395 49 HG2 LYS 5 HG2 LYS 5 -5.715 -0.746 7.579 50 HG3 LYS 5 HG3 LYS 5 -5.398 -2.480 7.826 51 HD2 LYS 5 HD2 LYS 5 -4.811 -2.024 10.189 52 HD3 LYS 5 HD3 LYS 5 -5.063 -0.285 9.923 53 HE2 LYS 5 HE2 LYS 5 -7.432 -0.715 9.359 54 HE3 LYS 5 HE3 LYS 5 -7.185 -2.451 9.637 55 HZ1 LYS 5 HZ1 LYS 5 -6.808 -0.339 11.643 56 HZ2 LYS 5 HZ2 LYS 5 -8.121 -1.327 11.542 57 HZ3 LYS 5 HZ3 LYS 5 -6.638 -1.959 11.899 58 H VAL 6 H VAL 6 -4.575 -0.762 4.128 59 HA VAL 6 HA VAL 6 -4.512 2.057 3.905 60 HB VAL 6 HB VAL 6 -6.383 0.066 2.559 61 HG11 VAL 6 HG11 VAL 6 -5.343 2.816 1.741 62 HG12 VAL 6 HG12 VAL 6 -6.361 1.754 0.741 63 HG13 VAL 6 HG13 VAL 6 -7.010 2.444 2.245 64 HG21 VAL 6 HG21 VAL 6 -4.651 0.021 0.783 65 HG22 VAL 6 HG22 VAL 6 -3.606 1.055 1.784 66 HG23 VAL 6 HG23 VAL 6 -4.004 -0.594 2.320 67 H GLU 7 H GLU 7 -5.823 3.639 4.553 68 HA GLU 7 HA GLU 7 -7.991 3.028 6.410 69 HB2 GLU 7 HB2 GLU 7 -6.303 4.826 6.785 70 HB3 GLU 7 HB3 GLU 7 -6.893 5.664 5.339 71 HG2 GLU 7 HG2 GLU 7 -7.880 6.631 7.359 72 HG3 GLU 7 HG3 GLU 7 -9.133 5.864 6.367 73 H GLY 8 H GLY 8 -10.196 3.642 6.097 74 HA2 GLY 8 HA2 GLY 8 -11.009 3.708 3.261 75 HA3 GLY 8 HA3 GLY 8 -12.049 3.396 4.667 76 H MET 9 H MET 9 -10.161 5.971 3.011 77 HA MET 9 HA MET 9 -11.265 8.112 4.550 78 HB2 MET 9 HB2 MET 9 -9.973 8.051 1.804 79 HB3 MET 9 HB3 MET 9 -10.277 9.531 2.738 80 HG2 MET 9 HG2 MET 9 -8.793 7.314 4.111 81 HG3 MET 9 HG3 MET 9 -7.955 8.160 2.807 82 HE1 MET 9 HE1 MET 9 -6.022 8.880 4.388 83 HE2 MET 9 HE2 MET 9 -6.270 9.683 5.956 84 HE3 MET 9 HE3 MET 9 -6.830 8.011 5.714 85 H THR 10 H THR 10 -11.725 7.679 0.995 86 HA THR 10 HA THR 10 -14.614 8.244 1.355 87 HB THR 10 HB THR 10 -14.476 9.896 -0.500 88 HG1 THR 10 HG1 THR 10 -12.619 9.418 -1.535 89 HG21 THR 10 HG21 THR 10 -14.417 10.631 1.874 90 HG22 THR 10 HG22 THR 10 -12.640 10.526 1.850 91 HG23 THR 10 HG23 THR 10 -13.474 11.707 0.817 92 H CYS 11 H CYS 11 -15.783 7.974 -0.824 93 HA CYS 11 HA CYS 11 -16.460 6.456 -2.381 94 HB2 CYS 11 HB2 CYS 11 -13.547 6.751 -3.194 95 HB3 CYS 11 HB3 CYS 11 -14.838 6.072 -4.214 96 HG CYS 11 HG CYS 11 -16.399 8.135 -4.116 97 H ASN 12 H ASN 12 -15.787 5.315 0.136 98 HA ASN 12 HA ASN 12 -14.152 3.001 -0.079 99 HB2 ASN 12 HB2 ASN 12 -15.289 2.353 2.006 100 HB3 ASN 12 HB3 ASN 12 -14.820 4.064 2.044 101 HD21 ASN 12 HD21 ASN 12 -18.653 3.057 2.687 102 HD22 ASN 12 HD22 ASN 12 -17.300 1.951 2.767 103 H HIS 13 H HIS 13 -17.022 3.699 -1.688 104 HA HIS 13 HA HIS 13 -18.164 1.001 -1.570 105 HB2 HIS 13 HB2 HIS 13 -18.846 3.443 -3.246 106 HB3 HIS 13 HB3 HIS 13 -19.784 1.943 -3.184 107 HD1 HIS 13 HD1 HIS 13 -19.209 5.140 -1.218 108 HD2 HIS 13 HD2 HIS 13 -21.053 1.375 -0.806 109 HE1 HIS 13 HE1 HIS 13 -20.753 5.297 0.806 110 H CYS 14 H CYS 14 -15.538 2.447 -3.145 111 HA CYS 14 HA CYS 14 -15.865 0.653 -5.507 112 HB2 CYS 14 HB2 CYS 14 -14.227 3.206 -5.222 113 HB3 CYS 14 HB3 CYS 14 -14.407 2.229 -6.696 114 HG CYS 14 HG CYS 14 -15.805 4.426 -6.878 115 H VAL 15 H VAL 15 -13.631 0.025 -6.440 116 HA VAL 15 HA VAL 15 -11.476 -0.155 -4.486 117 HB VAL 15 HB VAL 15 -12.943 -2.056 -3.870 118 HG11 VAL 15 HG11 VAL 15 -13.253 -3.923 -5.450 119 HG12 VAL 15 HG12 VAL 15 -13.994 -2.433 -6.075 120 HG13 VAL 15 HG13 VAL 15 -12.433 -2.995 -6.724 121 HG21 VAL 15 HG21 VAL 15 -11.245 -3.811 -3.994 122 HG22 VAL 15 HG22 VAL 15 -10.396 -2.937 -5.288 123 HG23 VAL 15 HG23 VAL 15 -10.480 -2.244 -3.650 124 H MET 16 H MET 16 -9.480 -0.721 -5.493 125 HA MET 16 HA MET 16 -9.453 -1.262 -8.384 126 HB2 MET 16 HB2 MET 16 -8.227 1.227 -7.122 127 HB3 MET 16 HB3 MET 16 -7.913 0.661 -8.777 128 HG2 MET 16 HG2 MET 16 -10.353 0.818 -9.256 129 HG3 MET 16 HG3 MET 16 -10.607 1.498 -7.643 130 HE1 MET 16 HE1 MET 16 -8.712 4.915 -7.840 131 HE2 MET 16 HE2 MET 16 -9.699 3.826 -6.838 132 HE3 MET 16 HE3 MET 16 -8.043 3.361 -7.293 133 H ALA 17 H ALA 17 -7.189 -1.715 -9.115 134 HA ALA 17 HA ALA 17 -5.818 -3.378 -7.202 135 HB1 ALA 17 HB1 ALA 17 -5.875 -3.885 -9.613 136 HB2 ALA 17 HB2 ALA 17 -5.007 -2.371 -9.961 137 HB3 ALA 17 HB3 ALA 17 -4.199 -3.672 -9.054 138 H VAL 18 H VAL 18 -5.218 -2.049 -5.448 139 HA VAL 18 HA VAL 18 -3.854 0.432 -5.756 140 HB VAL 18 HB VAL 18 -3.724 -1.474 -3.392 141 HG11 VAL 18 HG11 VAL 18 -2.512 0.953 -3.740 142 HG12 VAL 18 HG12 VAL 18 -4.066 1.470 -3.101 143 HG13 VAL 18 HG13 VAL 18 -3.073 0.341 -2.152 144 HG21 VAL 18 HG21 VAL 18 -5.792 0.275 -2.846 145 HG22 VAL 18 HG22 VAL 18 -6.026 -0.026 -4.565 146 HG23 VAL 18 HG23 VAL 18 -6.005 -1.403 -3.439 147 H THR 19 H THR 19 -2.829 -2.839 -6.146 148 HA THR 19 HA THR 19 -0.255 -2.903 -5.192 149 HB THR 19 HB THR 19 -1.248 -4.042 -7.831 150 HG1 THR 19 HG1 THR 19 -1.736 -5.836 -6.440 151 HG21 THR 19 HG21 THR 19 0.406 -5.822 -7.357 152 HG22 THR 19 HG22 THR 19 1.199 -4.238 -7.500 153 HG23 THR 19 HG23 THR 19 0.922 -4.954 -5.894 154 H LYS 20 H LYS 20 -1.417 -1.347 -8.197 155 HA LYS 20 HA LYS 20 1.119 -0.972 -9.393 156 HB2 LYS 20 HB2 LYS 20 -1.413 0.703 -9.611 157 HB3 LYS 20 HB3 LYS 20 -0.048 0.726 -10.749 158 HG2 LYS 20 HG2 LYS 20 -0.419 -1.671 -11.247 159 HG3 LYS 20 HG3 LYS 20 -1.794 -1.693 -10.116 160 HD2 LYS 20 HD2 LYS 20 -2.930 0.046 -11.466 161 HD3 LYS 20 HD3 LYS 20 -1.562 0.053 -12.604 162 HE2 LYS 20 HE2 LYS 20 -1.955 -2.350 -13.075 163 HE3 LYS 20 HE3 LYS 20 -3.328 -2.343 -11.952 164 HZ1 LYS 20 HZ1 LYS 20 -4.032 -2.084 -14.209 165 HZ2 LYS 20 HZ2 LYS 20 -4.385 -0.723 -13.352 166 HZ3 LYS 20 HZ3 LYS 20 -3.108 -0.731 -14.399 167 H ALA 21 H ALA 21 -0.379 0.707 -6.683 168 HA ALA 21 HA ALA 21 1.266 3.096 -7.060 169 HB1 ALA 21 HB1 ALA 21 -0.480 2.178 -4.739 170 HB2 ALA 21 HB2 ALA 21 0.227 3.798 -4.939 171 HB3 ALA 21 HB3 ALA 21 -1.000 3.215 -6.089 172 H LEU 22 H LEU 22 1.473 0.008 -5.344 173 HA LEU 22 HA LEU 22 3.454 0.932 -3.433 174 HB2 LEU 22 HB2 LEU 22 2.470 -1.797 -4.367 175 HB3 LEU 22 HB3 LEU 22 3.776 -1.607 -3.193 176 HG LEU 22 HG LEU 22 1.751 -2.011 -1.997 177 HD11 LEU 22 HD11 LEU 22 3.379 -0.309 -1.099 178 HD12 LEU 22 HD12 LEU 22 2.324 0.961 -1.749 179 HD13 LEU 22 HD13 LEU 22 1.711 -0.137 -0.493 180 HD21 LEU 22 HD21 LEU 22 0.148 -1.249 -3.722 181 HD22 LEU 22 HD22 LEU 22 -0.213 -0.579 -2.116 182 HD23 LEU 22 HD23 LEU 22 0.561 0.443 -3.344 183 H LYS 23 H LYS 23 3.474 -0.639 -6.630 184 HA LYS 23 HA LYS 23 6.180 -1.458 -6.576 185 HB2 LYS 23 HB2 LYS 23 4.300 -2.259 -8.062 186 HB3 LYS 23 HB3 LYS 23 4.522 -0.786 -9.032 187 HG2 LYS 23 HG2 LYS 23 6.857 -1.424 -9.485 188 HG3 LYS 23 HG3 LYS 23 6.701 -2.835 -8.413 189 HD2 LYS 23 HD2 LYS 23 4.953 -3.771 -9.878 190 HD3 LYS 23 HD3 LYS 23 5.078 -2.354 -10.949 191 HE2 LYS 23 HE2 LYS 23 7.445 -2.908 -11.419 192 HE3 LYS 23 HE3 LYS 23 7.340 -4.272 -10.290 193 HZ1 LYS 23 HZ1 LYS 23 5.413 -4.956 -11.807 194 HZ2 LYS 23 HZ2 LYS 23 6.132 -3.988 -12.911 195 HZ3 LYS 23 HZ3 LYS 23 6.975 -5.260 -12.280 196 H LYS 24 H LYS 24 4.800 1.735 -7.192 197 HA LYS 24 HA LYS 24 6.890 2.657 -8.906 198 HB2 LYS 24 HB2 LYS 24 5.023 4.148 -7.020 199 HB3 LYS 24 HB3 LYS 24 6.083 4.922 -8.216 200 HG2 LYS 24 HG2 LYS 24 4.967 3.649 -10.030 201 HG3 LYS 24 HG3 LYS 24 3.859 2.935 -8.832 202 HD2 LYS 24 HD2 LYS 24 3.070 5.183 -8.204 203 HD3 LYS 24 HD3 LYS 24 4.213 5.920 -9.348 204 HE2 LYS 24 HE2 LYS 24 3.093 4.770 -11.222 205 HE3 LYS 24 HE3 LYS 24 1.960 4.011 -10.085 206 HZ1 LYS 24 HZ1 LYS 24 2.258 6.900 -10.530 207 HZ2 LYS 24 HZ2 LYS 24 1.025 5.961 -11.095 208 HZ3 LYS 24 HZ3 LYS 24 1.208 6.199 -9.475 209 H VAL 25 H VAL 25 6.887 2.037 -5.461 210 HA VAL 25 HA VAL 25 8.854 4.082 -4.854 211 HB VAL 25 HB VAL 25 7.728 1.701 -3.347 212 HG11 VAL 25 HG11 VAL 25 8.819 2.670 -1.349 213 HG12 VAL 25 HG12 VAL 25 10.016 2.141 -2.553 214 HG13 VAL 25 HG13 VAL 25 9.634 3.870 -2.379 215 HG21 VAL 25 HG21 VAL 25 6.618 3.519 -2.063 216 HG22 VAL 25 HG22 VAL 25 7.367 4.722 -3.134 217 HG23 VAL 25 HG23 VAL 25 6.180 3.565 -3.785 218 HA PRO 26 HA PRO 26 12.386 1.863 -6.376 219 HB2 PRO 26 HB2 PRO 26 13.718 3.506 -4.227 220 HB3 PRO 26 HB3 PRO 26 14.219 3.274 -5.934 221 HG2 PRO 26 HG2 PRO 26 12.992 5.569 -5.175 222 HG3 PRO 26 HG3 PRO 26 12.521 4.760 -6.708 223 HD2 PRO 26 HD2 PRO 26 11.122 4.666 -4.030 224 HD3 PRO 26 HD3 PRO 26 10.422 4.848 -5.671 225 H GLY 27 H GLY 27 13.390 -0.032 -5.758 226 HA2 GLY 27 HA2 GLY 27 14.522 -1.452 -4.264 227 HA3 GLY 27 HA3 GLY 27 13.830 -0.566 -2.892 228 H VAL 28 H VAL 28 11.095 -0.718 -4.368 229 HA VAL 28 HA VAL 28 10.230 -3.180 -3.077 230 HB VAL 28 HB VAL 28 8.830 -1.157 -4.876 231 HG11 VAL 28 HG11 VAL 28 7.772 -3.360 -5.135 232 HG12 VAL 28 HG12 VAL 28 7.677 -3.535 -3.366 233 HG13 VAL 28 HG13 VAL 28 6.730 -2.276 -4.190 234 HG21 VAL 28 HG21 VAL 28 8.685 -1.733 -1.886 235 HG22 VAL 28 HG22 VAL 28 9.482 -0.332 -2.641 236 HG23 VAL 28 HG23 VAL 28 7.717 -0.518 -2.753 237 H GLU 29 H GLU 29 10.187 -5.214 -4.033 238 HA GLU 29 HA GLU 29 10.306 -5.261 -7.013 239 HB2 GLU 29 HB2 GLU 29 12.459 -5.839 -5.990 240 HB3 GLU 29 HB3 GLU 29 11.676 -7.121 -5.034 241 HG2 GLU 29 HG2 GLU 29 11.013 -8.279 -7.099 242 HG3 GLU 29 HG3 GLU 29 11.634 -6.940 -8.073 243 H LYS 30 H LYS 30 8.880 -6.556 -4.041 244 HA LYS 30 HA LYS 30 6.912 -7.948 -5.776 245 HB2 LYS 30 HB2 LYS 30 8.207 -9.052 -3.253 246 HB3 LYS 30 HB3 LYS 30 6.805 -9.770 -4.073 247 HG2 LYS 30 HG2 LYS 30 8.136 -10.041 -6.139 248 HG3 LYS 30 HG3 LYS 30 9.553 -9.341 -5.325 249 HD2 LYS 30 HD2 LYS 30 9.538 -11.181 -3.685 250 HD3 LYS 30 HD3 LYS 30 8.080 -11.862 -4.449 251 HE2 LYS 30 HE2 LYS 30 9.311 -12.145 -6.568 252 HE3 LYS 30 HE3 LYS 30 10.767 -11.454 -5.825 253 HZ1 LYS 30 HZ1 LYS 30 10.771 -13.267 -4.281 254 HZ2 LYS 30 HZ2 LYS 30 9.409 -13.910 -4.948 255 HZ3 LYS 30 HZ3 LYS 30 10.804 -13.842 -5.825 256 H VAL 31 H VAL 31 4.784 -8.016 -4.944 257 HA VAL 31 HA VAL 31 4.260 -6.487 -2.476 258 HB VAL 31 HB VAL 31 3.090 -5.822 -5.213 259 HG11 VAL 31 HG11 VAL 31 2.611 -4.587 -2.468 260 HG12 VAL 31 HG12 VAL 31 1.979 -3.963 -4.010 261 HG13 VAL 31 HG13 VAL 31 1.443 -5.545 -3.409 262 HG21 VAL 31 HG21 VAL 31 4.193 -3.628 -4.890 263 HG22 VAL 31 HG22 VAL 31 4.946 -4.229 -3.395 264 HG23 VAL 31 HG23 VAL 31 5.377 -4.947 -4.965 265 H GLU 32 H GLU 32 2.237 -7.003 -1.539 266 HA GLU 32 HA GLU 32 0.475 -8.904 -2.939 267 HB2 GLU 32 HB2 GLU 32 2.196 -10.277 -1.737 268 HB3 GLU 32 HB3 GLU 32 1.737 -9.460 -0.229 269 HG2 GLU 32 HG2 GLU 32 0.218 -11.098 0.038 270 HG3 GLU 32 HG3 GLU 32 -0.718 -10.299 -1.238 271 H VAL 33 H VAL 33 -1.637 -8.292 -2.521 272 HA VAL 33 HA VAL 33 -2.078 -6.697 -0.047 273 HB VAL 33 HB VAL 33 -3.487 -5.160 -1.293 274 HG11 VAL 33 HG11 VAL 33 -0.823 -5.541 -2.725 275 HG12 VAL 33 HG12 VAL 33 -1.778 -4.044 -2.646 276 HG13 VAL 33 HG13 VAL 33 -1.038 -4.705 -1.171 277 HG21 VAL 33 HG21 VAL 33 -2.714 -6.796 -3.746 278 HG22 VAL 33 HG22 VAL 33 -4.333 -6.710 -3.008 279 HG23 VAL 33 HG23 VAL 33 -3.623 -5.267 -3.762 280 H SER 34 H SER 34 -4.225 -6.714 0.771 281 HA SER 34 HA SER 34 -5.986 -8.870 -0.275 282 HB2 SER 34 HB2 SER 34 -4.760 -9.675 1.717 283 HB3 SER 34 HB3 SER 34 -5.339 -8.270 2.641 284 HG SER 34 HG SER 34 -6.591 -10.238 2.872 285 H LEU 35 H LEU 35 -7.490 -7.591 -1.234 286 HA LEU 35 HA LEU 35 -8.155 -4.975 -0.388 287 HB2 LEU 35 HB2 LEU 35 -9.699 -6.947 -2.116 288 HB3 LEU 35 HB3 LEU 35 -9.985 -5.198 -2.045 289 HG LEU 35 HG LEU 35 -7.351 -6.490 -2.885 290 HD11 LEU 35 HD11 LEU 35 -7.998 -5.791 -5.165 291 HD12 LEU 35 HD12 LEU 35 -9.162 -6.956 -4.492 292 HD13 LEU 35 HD13 LEU 35 -9.568 -5.224 -4.546 293 HD21 LEU 35 HD21 LEU 35 -6.840 -4.195 -3.703 294 HD22 LEU 35 HD22 LEU 35 -8.375 -3.619 -3.012 295 HD23 LEU 35 HD23 LEU 35 -7.086 -4.223 -1.944 296 H GLU 36 H GLU 36 -9.264 -8.069 0.831 297 HA GLU 36 HA GLU 36 -11.811 -6.981 1.717 298 HB2 GLU 36 HB2 GLU 36 -10.363 -9.579 2.340 299 HB3 GLU 36 HB3 GLU 36 -12.020 -9.180 2.855 300 HG2 GLU 36 HG2 GLU 36 -12.672 -8.833 0.490 301 HG3 GLU 36 HG3 GLU 36 -11.048 -9.308 -0.036 302 H LYS 37 H LYS 37 -8.550 -7.335 3.065 303 HA LYS 37 HA LYS 37 -9.580 -6.276 5.644 304 HB2 LYS 37 HB2 LYS 37 -6.990 -7.736 5.008 305 HB3 LYS 37 HB3 LYS 37 -7.335 -6.898 6.536 306 HG2 LYS 37 HG2 LYS 37 -8.133 -8.930 7.151 307 HG3 LYS 37 HG3 LYS 37 -9.605 -8.313 6.384 308 HD2 LYS 37 HD2 LYS 37 -8.934 -9.490 4.272 309 HD3 LYS 37 HD3 LYS 37 -7.499 -10.124 5.119 310 HE2 LYS 37 HE2 LYS 37 -8.991 -11.181 6.808 311 HE3 LYS 37 HE3 LYS 37 -10.405 -10.575 5.924 312 HZ1 LYS 37 HZ1 LYS 37 -9.942 -12.825 5.361 313 HZ2 LYS 37 HZ2 LYS 37 -9.684 -11.877 4.039 314 HZ3 LYS 37 HZ3 LYS 37 -8.403 -12.463 4.900 315 H GLY 38 H GLY 38 -8.195 -5.272 2.730 316 HA2 GLY 38 HA2 GLY 38 -7.431 -3.201 2.109 317 HA3 GLY 38 HA3 GLY 38 -7.799 -2.619 3.745 318 H GLU 39 H GLU 39 -5.668 -5.413 3.347 319 HA GLU 39 HA GLU 39 -3.479 -3.746 4.468 320 HB2 GLU 39 HB2 GLU 39 -3.864 -6.756 4.202 321 HB3 GLU 39 HB3 GLU 39 -2.469 -5.966 4.972 322 HG2 GLU 39 HG2 GLU 39 -3.960 -4.903 6.622 323 HG3 GLU 39 HG3 GLU 39 -5.371 -5.642 5.842 324 H ALA 40 H ALA 40 -1.341 -3.912 3.637 325 HA ALA 40 HA ALA 40 -1.017 -5.035 0.941 326 HB1 ALA 40 HB1 ALA 40 -0.381 -2.975 -0.065 327 HB2 ALA 40 HB2 ALA 40 -1.890 -2.643 0.793 328 HB3 ALA 40 HB3 ALA 40 -0.347 -2.126 1.510 329 H LEU 41 H LEU 41 0.704 -6.295 1.196 330 HA LEU 41 HA LEU 41 2.922 -5.453 2.991 331 HB2 LEU 41 HB2 LEU 41 2.257 -8.112 1.641 332 HB3 LEU 41 HB3 LEU 41 3.672 -7.804 2.650 333 HG LEU 41 HG LEU 41 2.136 -8.925 4.027 334 HD11 LEU 41 HD11 LEU 41 3.232 -6.938 5.060 335 HD12 LEU 41 HD12 LEU 41 1.793 -5.966 4.661 336 HD13 LEU 41 HD13 LEU 41 1.662 -7.329 5.797 337 HD21 LEU 41 HD21 LEU 41 -0.179 -8.341 4.340 338 HD22 LEU 41 HD22 LEU 41 -0.018 -6.898 3.321 339 HD23 LEU 41 HD23 LEU 41 0.121 -8.519 2.599 340 H VAL 42 H VAL 42 5.078 -5.456 2.196 341 HA VAL 42 HA VAL 42 5.407 -5.863 -0.715 342 HB VAL 42 HB VAL 42 6.826 -3.891 -0.885 343 HG11 VAL 42 HG11 VAL 42 5.107 -2.263 -0.990 344 HG12 VAL 42 HG12 VAL 42 4.296 -3.814 -1.238 345 HG13 VAL 42 HG13 VAL 42 4.192 -3.019 0.350 346 HG21 VAL 42 HG21 VAL 42 5.961 -3.279 1.972 347 HG22 VAL 42 HG22 VAL 42 7.593 -3.781 1.468 348 HG23 VAL 42 HG23 VAL 42 6.936 -2.226 0.918 349 H GLU 43 H GLU 43 7.743 -6.185 -1.268 350 HA GLU 43 HA GLU 43 9.394 -6.941 1.067 351 HB2 GLU 43 HB2 GLU 43 8.248 -8.993 0.225 352 HB3 GLU 43 HB3 GLU 43 9.008 -8.735 -1.358 353 HG2 GLU 43 HG2 GLU 43 11.243 -8.894 -0.341 354 HG3 GLU 43 HG3 GLU 43 10.513 -9.036 1.270 355 H GLY 44 H GLY 44 10.717 -5.178 0.800 356 HA2 GLY 44 HA2 GLY 44 12.543 -5.200 -1.460 357 HA3 GLY 44 HA3 GLY 44 11.424 -3.820 -1.451 358 H THR 45 H THR 45 13.673 -2.778 -1.265 359 HA THR 45 HA THR 45 14.472 -2.588 1.603 360 HB THR 45 HB THR 45 16.664 -1.828 0.678 361 HG1 THR 45 HG1 THR 45 16.941 -2.239 -1.588 362 HG21 THR 45 HG21 THR 45 15.678 -4.500 -0.412 363 HG22 THR 45 HG22 THR 45 17.374 -4.039 -0.142 364 HG23 THR 45 HG23 THR 45 16.270 -4.214 1.242 365 H ALA 46 H ALA 46 12.217 -1.162 0.238 366 HA ALA 46 HA ALA 46 13.103 1.532 -0.299 367 HB1 ALA 46 HB1 ALA 46 10.674 1.986 -0.383 368 HB2 ALA 46 HB2 ALA 46 11.081 0.522 -1.311 369 HB3 ALA 46 HB3 ALA 46 10.346 0.378 0.302 370 H ASP 47 H ASP 47 12.052 3.408 0.908 371 HA ASP 47 HA ASP 47 12.570 3.091 3.779 372 HB2 ASP 47 HB2 ASP 47 13.464 4.969 2.309 373 HB3 ASP 47 HB3 ASP 47 11.809 5.604 2.249 374 HA PRO 48 HA PRO 48 8.375 2.772 5.028 375 HB2 PRO 48 HB2 PRO 48 9.154 4.792 7.131 376 HB3 PRO 48 HB3 PRO 48 8.271 3.243 7.340 377 HG2 PRO 48 HG2 PRO 48 10.895 3.387 7.959 378 HG3 PRO 48 HG3 PRO 48 10.282 1.981 7.021 379 HD2 PRO 48 HD2 PRO 48 11.708 4.442 6.004 380 HD3 PRO 48 HD3 PRO 48 11.957 2.725 5.554 381 H LYS 49 H LYS 49 9.723 6.134 4.930 382 HA LYS 49 HA LYS 49 7.078 7.315 4.854 383 HB2 LYS 49 HB2 LYS 49 9.837 8.424 4.204 384 HB3 LYS 49 HB3 LYS 49 8.342 9.380 4.232 385 HG2 LYS 49 HG2 LYS 49 7.977 8.673 6.606 386 HG3 LYS 49 HG3 LYS 49 9.582 7.897 6.585 387 HD2 LYS 49 HD2 LYS 49 10.641 10.049 6.050 388 HD3 LYS 49 HD3 LYS 49 9.047 10.823 5.910 389 HE2 LYS 49 HE2 LYS 49 8.597 10.314 8.298 390 HE3 LYS 49 HE3 LYS 49 10.220 9.605 8.441 391 HZ1 LYS 49 HZ1 LYS 49 11.133 11.729 7.860 392 HZ2 LYS 49 HZ2 LYS 49 9.632 12.389 7.699 393 HZ3 LYS 49 HZ3 LYS 49 10.158 11.882 9.178 394 H ALA 50 H ALA 50 9.256 5.960 2.432 395 HA ALA 50 HA ALA 50 8.163 7.503 0.242 396 HB1 ALA 50 HB1 ALA 50 10.429 6.501 0.209 397 HB2 ALA 50 HB2 ALA 50 9.711 4.875 0.278 398 HB3 ALA 50 HB3 ALA 50 9.438 5.909 -1.143 399 H LEU 51 H LEU 51 7.484 4.335 1.753 400 HA LEU 51 HA LEU 51 5.742 3.496 -0.372 401 HB2 LEU 51 HB2 LEU 51 7.057 2.089 1.377 402 HB3 LEU 51 HB3 LEU 51 5.681 2.425 2.451 403 HG LEU 51 HG LEU 51 4.181 1.562 0.544 404 HD11 LEU 51 HD11 LEU 51 5.368 0.011 -1.054 405 HD12 LEU 51 HD12 LEU 51 5.815 1.711 -1.298 406 HD13 LEU 51 HD13 LEU 51 6.919 0.614 -0.434 407 HD21 LEU 51 HD21 LEU 51 4.854 0.263 2.600 408 HD22 LEU 51 HD22 LEU 51 4.534 -0.760 1.176 409 HD23 LEU 51 HD23 LEU 51 6.206 -0.408 1.669 410 H VAL 52 H VAL 52 5.179 4.863 2.919 411 HA VAL 52 HA VAL 52 2.334 4.697 2.729 412 HB VAL 52 HB VAL 52 4.131 6.496 4.405 413 HG11 VAL 52 HG11 VAL 52 1.199 5.718 4.728 414 HG12 VAL 52 HG12 VAL 52 2.166 6.613 5.924 415 HG13 VAL 52 HG13 VAL 52 1.816 7.343 4.344 416 HG21 VAL 52 HG21 VAL 52 3.750 4.774 6.144 417 HG22 VAL 52 HG22 VAL 52 2.805 3.812 4.984 418 HG23 VAL 52 HG23 VAL 52 4.544 4.072 4.718 419 H GLN 53 H GLN 53 4.683 6.958 1.392 420 HA GLN 53 HA GLN 53 2.628 9.007 0.973 421 HB2 GLN 53 HB2 GLN 53 5.010 9.561 1.502 422 HB3 GLN 53 HB3 GLN 53 5.485 8.879 -0.074 423 HG2 GLN 53 HG2 GLN 53 4.021 10.501 -1.219 424 HG3 GLN 53 HG3 GLN 53 3.462 11.124 0.345 425 HE21 GLN 53 HE21 GLN 53 5.943 13.588 -0.688 426 HE22 GLN 53 HE22 GLN 53 4.309 13.086 -1.064 427 H ALA 54 H ALA 54 4.172 6.339 -0.778 428 HA ALA 54 HA ALA 54 3.488 7.149 -3.413 429 HB1 ALA 54 HB1 ALA 54 3.775 4.760 -3.948 430 HB2 ALA 54 HB2 ALA 54 5.076 5.347 -2.886 431 HB3 ALA 54 HB3 ALA 54 3.754 4.363 -2.212 432 H VAL 55 H VAL 55 1.747 5.168 -0.961 433 HA VAL 55 HA VAL 55 -0.533 4.702 -2.638 434 HB VAL 55 HB VAL 55 -1.597 3.971 -0.513 435 HG11 VAL 55 HG11 VAL 55 -0.052 2.104 -0.108 436 HG12 VAL 55 HG12 VAL 55 -0.156 2.461 -1.844 437 HG13 VAL 55 HG13 VAL 55 1.262 2.995 -0.910 438 HG21 VAL 55 HG21 VAL 55 -0.277 3.968 1.563 439 HG22 VAL 55 HG22 VAL 55 1.035 4.847 0.748 440 HG23 VAL 55 HG23 VAL 55 -0.542 5.632 0.999 441 H GLU 56 H GLU 56 0.530 7.448 -0.757 442 HA GLU 56 HA GLU 56 -2.071 8.600 -0.341 443 HB2 GLU 56 HB2 GLU 56 -0.007 9.262 0.901 444 HB3 GLU 56 HB3 GLU 56 0.654 9.939 -0.602 445 HG2 GLU 56 HG2 GLU 56 -1.246 11.515 -0.733 446 HG3 GLU 56 HG3 GLU 56 -1.904 10.843 0.773 447 H GLU 57 H GLU 57 0.054 8.210 -3.100 448 HA GLU 57 HA GLU 57 -0.962 10.408 -4.643 449 HB2 GLU 57 HB2 GLU 57 1.143 9.137 -5.131 450 HB3 GLU 57 HB3 GLU 57 0.145 7.743 -5.610 451 HG2 GLU 57 HG2 GLU 57 -0.944 9.142 -7.353 452 HG3 GLU 57 HG3 GLU 57 0.057 10.520 -6.865 453 H GLU 58 H GLU 58 -2.171 7.176 -3.861 454 HA GLU 58 HA GLU 58 -4.198 7.236 -5.979 455 HB2 GLU 58 HB2 GLU 58 -3.776 5.439 -3.554 456 HB3 GLU 58 HB3 GLU 58 -5.012 5.184 -4.801 457 HG2 GLU 58 HG2 GLU 58 -2.006 5.253 -5.283 458 HG3 GLU 58 HG3 GLU 58 -3.003 3.790 -5.191 459 H GLY 59 H GLY 59 -3.701 8.650 -2.904 460 HA2 GLY 59 HA2 GLY 59 -5.179 10.249 -1.986 461 HA3 GLY 59 HA3 GLY 59 -6.543 9.471 -2.818 462 H TYR 60 H TYR 60 -4.476 7.128 -1.432 463 HA TYR 60 HA TYR 60 -6.165 7.012 1.015 464 HB2 TYR 60 HB2 TYR 60 -5.539 4.772 -0.932 465 HB3 TYR 60 HB3 TYR 60 -6.340 4.564 0.631 466 HD1 TYR 60 HD1 TYR 60 -6.726 5.641 -2.839 467 HD2 TYR 60 HD2 TYR 60 -8.601 5.469 1.026 468 HE1 TYR 60 HE1 TYR 60 -8.922 6.107 -3.892 469 HE2 TYR 60 HE2 TYR 60 -10.803 5.914 -0.014 470 HH TYR 60 HH TYR 60 -11.933 6.322 -1.947 471 H LYS 61 H LYS 61 -4.674 7.474 2.548 472 HA LYS 61 HA LYS 61 -1.961 6.510 2.516 473 HB2 LYS 61 HB2 LYS 61 -3.726 7.513 4.791 474 HB3 LYS 61 HB3 LYS 61 -1.962 7.297 4.870 475 HG2 LYS 61 HG2 LYS 61 -1.653 8.932 3.060 476 HG3 LYS 61 HG3 LYS 61 -3.415 9.122 2.907 477 HD2 LYS 61 HD2 LYS 61 -3.540 9.954 5.229 478 HD3 LYS 61 HD3 LYS 61 -1.777 9.762 5.396 479 HE2 LYS 61 HE2 LYS 61 -1.425 11.344 3.534 480 HE3 LYS 61 HE3 LYS 61 -3.179 11.524 3.341 481 HZ1 LYS 61 HZ1 LYS 61 -2.241 13.300 4.612 482 HZ2 LYS 61 HZ2 LYS 61 -3.267 12.417 5.554 483 HZ3 LYS 61 HZ3 LYS 61 -1.635 12.254 5.732 484 H ALA 62 H ALA 62 -1.177 5.115 4.480 485 HA ALA 62 HA ALA 62 -3.109 3.050 5.271 486 HB1 ALA 62 HB1 ALA 62 -2.336 2.302 3.056 487 HB2 ALA 62 HB2 ALA 62 -0.647 2.448 3.588 488 HB3 ALA 62 HB3 ALA 62 -1.718 1.239 4.342 489 H GLU 63 H GLU 63 -2.764 2.708 7.359 490 HA GLU 63 HA GLU 63 -0.459 3.681 8.740 491 HB2 GLU 63 HB2 GLU 63 -2.797 3.482 9.665 492 HB3 GLU 63 HB3 GLU 63 -2.578 1.719 9.701 493 HG2 GLU 63 HG2 GLU 63 -0.525 2.079 11.131 494 HG3 GLU 63 HG3 GLU 63 -0.929 3.804 11.190 495 H VAL 64 H VAL 64 1.535 2.736 8.503 496 HA VAL 64 HA VAL 64 2.012 0.005 7.939 497 HB VAL 64 HB VAL 64 4.322 0.533 8.775 498 HG11 VAL 64 HG11 VAL 64 2.934 2.480 6.895 499 HG12 VAL 64 HG12 VAL 64 4.704 2.398 7.099 500 HG13 VAL 64 HG13 VAL 64 3.811 0.995 6.478 501 HG21 VAL 64 HG21 VAL 64 4.712 3.024 9.250 502 HG22 VAL 64 HG22 VAL 64 2.972 3.155 9.525 503 HG23 VAL 64 HG23 VAL 64 3.951 2.096 10.568 504 H LEU 65 H LEU 65 1.242 -1.633 9.193 505 HA LEU 65 HA LEU 65 1.001 -1.277 12.095 506 HB2 LEU 65 HB2 LEU 65 0.606 -3.734 10.332 507 HB3 LEU 65 HB3 LEU 65 0.209 -3.621 12.052 508 HG LEU 65 HG LEU 65 -1.037 -1.935 9.839 509 HD11 LEU 65 HD11 LEU 65 -2.131 -4.237 11.510 510 HD12 LEU 65 HD12 LEU 65 -3.052 -3.284 10.323 511 HD13 LEU 65 HD13 LEU 65 -1.707 -4.314 9.783 512 HD21 LEU 65 HD21 LEU 65 -2.621 -1.250 11.630 513 HD22 LEU 65 HD22 LEU 65 -1.651 -2.149 12.821 514 HD23 LEU 65 HD23 LEU 65 -0.963 -0.731 11.991 515 H ALA 66 H ALA 66 3.304 -0.751 12.394 516 HA ALA 66 HA ALA 66 4.935 -3.212 12.624 517 HB1 ALA 66 HB1 ALA 66 5.551 -2.116 10.485 518 HB2 ALA 66 HB2 ALA 66 5.862 -0.599 11.358 519 HB3 ALA 66 HB3 ALA 66 6.874 -2.029 11.670 Start of MODEL 11 1 H1 MET 1 H MET 1 7.929 -5.246 10.552 2 HA MET 1 HA MET 1 9.060 -4.259 8.001 3 HB2 MET 1 HB2 MET 1 8.798 -6.755 8.211 4 HB3 MET 1 HB3 MET 1 7.047 -6.507 8.367 5 HG2 MET 1 HG2 MET 1 7.006 -5.424 6.144 6 HG3 MET 1 HG3 MET 1 8.767 -5.568 6.048 7 HE1 MET 1 HE1 MET 1 5.676 -7.893 6.917 8 HE2 MET 1 HE2 MET 1 5.387 -7.112 5.343 9 HE3 MET 1 HE3 MET 1 5.638 -8.872 5.430 10 H LEU 2 H LEU 2 7.305 -3.564 6.419 11 HA LEU 2 HA LEU 2 5.419 -1.851 7.894 12 HB2 LEU 2 HB2 LEU 2 6.153 -2.044 4.945 13 HB3 LEU 2 HB3 LEU 2 5.109 -0.798 5.664 14 HG LEU 2 HG LEU 2 8.006 -1.314 6.478 15 HD11 LEU 2 HD11 LEU 2 7.836 -0.466 4.163 16 HD12 LEU 2 HD12 LEU 2 6.825 0.886 4.736 17 HD13 LEU 2 HD13 LEU 2 8.521 0.753 5.259 18 HD21 LEU 2 HD21 LEU 2 6.627 -0.291 8.258 19 HD22 LEU 2 HD22 LEU 2 7.792 0.877 7.603 20 HD23 LEU 2 HD23 LEU 2 6.084 0.962 7.116 21 H LYS 3 H LYS 3 3.146 -1.761 7.346 22 HA LYS 3 HA LYS 3 1.987 -4.053 5.936 23 HB2 LYS 3 HB2 LYS 3 2.544 -4.818 8.265 24 HB3 LYS 3 HB3 LYS 3 1.433 -3.588 8.897 25 HG2 LYS 3 HG2 LYS 3 -0.451 -4.648 7.789 26 HG3 LYS 3 HG3 LYS 3 0.628 -5.701 6.850 27 HD2 LYS 3 HD2 LYS 3 1.419 -6.762 8.952 28 HD3 LYS 3 HD3 LYS 3 0.278 -5.761 9.878 29 HE2 LYS 3 HE2 LYS 3 -1.616 -6.763 8.631 30 HE3 LYS 3 HE3 LYS 3 -0.466 -7.707 7.663 31 HZ1 LYS 3 HZ1 LYS 3 -0.720 -9.227 9.195 32 HZ2 LYS 3 HZ2 LYS 3 0.220 -8.304 10.171 33 HZ3 LYS 3 HZ3 LYS 3 -1.423 -8.201 10.290 34 H LEU 4 H LEU 4 1.209 -2.392 4.548 35 HA LEU 4 HA LEU 4 0.101 0.041 5.647 36 HB2 LEU 4 HB2 LEU 4 0.615 -1.184 2.951 37 HB3 LEU 4 HB3 LEU 4 -0.587 0.113 3.051 38 HG LEU 4 HG LEU 4 1.075 1.565 4.209 39 HD11 LEU 4 HD11 LEU 4 3.003 -0.692 3.514 40 HD12 LEU 4 HD12 LEU 4 3.454 0.904 4.162 41 HD13 LEU 4 HD13 LEU 4 2.504 -0.221 5.156 42 HD21 LEU 4 HD21 LEU 4 0.742 1.671 1.753 43 HD22 LEU 4 HD22 LEU 4 2.430 2.017 2.196 44 HD23 LEU 4 HD23 LEU 4 1.991 0.424 1.534 45 H LYS 5 H LYS 5 -1.770 -0.142 6.773 46 HA LYS 5 HA LYS 5 -4.031 -1.680 5.673 47 HB2 LYS 5 HB2 LYS 5 -3.520 -1.678 8.132 48 HB3 LYS 5 HB3 LYS 5 -3.812 0.076 8.149 49 HG2 LYS 5 HG2 LYS 5 -6.115 -0.464 7.121 50 HG3 LYS 5 HG3 LYS 5 -5.793 -2.155 7.564 51 HD2 LYS 5 HD2 LYS 5 -5.462 -1.424 9.934 52 HD3 LYS 5 HD3 LYS 5 -5.825 0.249 9.446 53 HE2 LYS 5 HE2 LYS 5 -8.047 -0.542 8.590 54 HE3 LYS 5 HE3 LYS 5 -7.683 -2.156 9.233 55 HZ1 LYS 5 HZ1 LYS 5 -7.904 0.329 10.786 56 HZ2 LYS 5 HZ2 LYS 5 -8.992 -0.908 10.760 57 HZ3 LYS 5 HZ3 LYS 5 -7.500 -1.143 11.414 58 H VAL 6 H VAL 6 -4.986 -0.678 3.964 59 HA VAL 6 HA VAL 6 -4.860 2.112 3.460 60 HB VAL 6 HB VAL 6 -6.818 0.031 2.402 61 HG11 VAL 6 HG11 VAL 6 -5.793 2.666 1.254 62 HG12 VAL 6 HG12 VAL 6 -6.856 1.513 0.412 63 HG13 VAL 6 HG13 VAL 6 -7.437 2.361 1.861 64 HG21 VAL 6 HG21 VAL 6 -4.470 -0.705 2.144 65 HG22 VAL 6 HG22 VAL 6 -5.169 -0.248 0.577 66 HG23 VAL 6 HG23 VAL 6 -4.056 0.862 1.409 67 H GLU 7 H GLU 7 -6.160 3.787 3.974 68 HA GLU 7 HA GLU 7 -8.334 3.357 5.899 69 HB2 GLU 7 HB2 GLU 7 -6.646 5.186 6.153 70 HB3 GLU 7 HB3 GLU 7 -7.207 5.888 4.624 71 HG2 GLU 7 HG2 GLU 7 -8.246 7.051 6.499 72 HG3 GLU 7 HG3 GLU 7 -9.483 6.152 5.606 73 H GLY 8 H GLY 8 -10.517 3.861 5.487 74 HA2 GLY 8 HA2 GLY 8 -11.312 3.734 2.661 75 HA3 GLY 8 HA3 GLY 8 -12.360 3.570 4.085 76 H MET 9 H MET 9 -10.162 6.067 2.673 77 HA MET 9 HA MET 9 -11.581 8.238 3.859 78 HB2 MET 9 HB2 MET 9 -9.658 8.176 1.500 79 HB3 MET 9 HB3 MET 9 -10.166 9.629 2.389 80 HG2 MET 9 HG2 MET 9 -9.260 8.639 4.482 81 HG3 MET 9 HG3 MET 9 -8.724 7.226 3.565 82 HE1 MET 9 HE1 MET 9 -6.974 11.497 3.244 83 HE2 MET 9 HE2 MET 9 -8.611 11.095 2.675 84 HE3 MET 9 HE3 MET 9 -8.215 10.972 4.406 85 H THR 10 H THR 10 -11.313 7.427 0.321 86 HA THR 10 HA THR 10 -14.100 8.415 0.022 87 HB THR 10 HB THR 10 -13.339 9.640 -2.028 88 HG1 THR 10 HG1 THR 10 -11.133 9.984 -2.253 89 HG21 THR 10 HG21 THR 10 -13.690 10.807 0.139 90 HG22 THR 10 HG22 THR 10 -11.987 10.511 0.563 91 HG23 THR 10 HG23 THR 10 -12.393 11.556 -0.818 92 H CYS 11 H CYS 11 -14.995 7.894 -2.165 93 HA CYS 11 HA CYS 11 -15.697 6.232 -3.551 94 HB2 CYS 11 HB2 CYS 11 -12.713 6.154 -4.120 95 HB3 CYS 11 HB3 CYS 11 -13.987 5.487 -5.171 96 HG CYS 11 HG CYS 11 -15.333 7.721 -5.386 97 H ASN 12 H ASN 12 -15.238 5.421 -0.825 98 HA ASN 12 HA ASN 12 -13.921 2.898 -0.664 99 HB2 ASN 12 HB2 ASN 12 -15.148 2.742 1.476 100 HB3 ASN 12 HB3 ASN 12 -14.402 4.339 1.271 101 HD21 ASN 12 HD21 ASN 12 -18.363 4.068 1.930 102 HD22 ASN 12 HD22 ASN 12 -17.216 2.774 2.201 103 H HIS 13 H HIS 13 -16.673 3.759 -2.398 104 HA HIS 13 HA HIS 13 -18.377 1.512 -1.810 105 HB2 HIS 13 HB2 HIS 13 -18.234 3.389 -4.198 106 HB3 HIS 13 HB3 HIS 13 -19.554 2.259 -3.859 107 HD1 HIS 13 HD1 HIS 13 -18.122 5.591 -2.606 108 HD2 HIS 13 HD2 HIS 13 -21.258 2.878 -1.878 109 HE1 HIS 13 HE1 HIS 13 -19.758 6.764 -1.033 110 H CYS 14 H CYS 14 -15.372 1.714 -3.395 111 HA CYS 14 HA CYS 14 -15.958 -0.807 -4.863 112 HB2 CYS 14 HB2 CYS 14 -14.221 1.513 -5.797 113 HB3 CYS 14 HB3 CYS 14 -14.445 -0.034 -6.648 114 HG CYS 14 HG CYS 14 -15.809 1.897 -7.804 115 H VAL 15 H VAL 15 -13.630 -1.713 -5.601 116 HA VAL 15 HA VAL 15 -11.542 -1.213 -3.639 117 HB VAL 15 HB VAL 15 -13.017 -2.809 -2.453 118 HG11 VAL 15 HG11 VAL 15 -13.292 -5.099 -3.285 119 HG12 VAL 15 HG12 VAL 15 -13.985 -3.941 -4.441 120 HG13 VAL 15 HG13 VAL 15 -12.405 -4.693 -4.769 121 HG21 VAL 15 HG21 VAL 15 -11.290 -4.454 -1.921 122 HG22 VAL 15 HG22 VAL 15 -10.419 -4.065 -3.424 123 HG23 VAL 15 HG23 VAL 15 -10.557 -2.850 -2.131 124 H MET 16 H MET 16 -9.536 -1.673 -4.525 125 HA MET 16 HA MET 16 -9.380 -3.365 -6.934 126 HB2 MET 16 HB2 MET 16 -8.668 -0.398 -6.867 127 HB3 MET 16 HB3 MET 16 -8.048 -1.545 -8.068 128 HG2 MET 16 HG2 MET 16 -9.857 -0.742 -9.196 129 HG3 MET 16 HG3 MET 16 -10.555 -2.171 -8.435 130 HE1 MET 16 HE1 MET 16 -13.542 0.313 -8.569 131 HE2 MET 16 HE2 MET 16 -12.247 0.091 -9.768 132 HE3 MET 16 HE3 MET 16 -12.947 -1.321 -8.943 133 H ALA 17 H ALA 17 -7.124 -3.784 -7.552 134 HA ALA 17 HA ALA 17 -5.523 -4.462 -5.301 135 HB1 ALA 17 HB1 ALA 17 -5.492 -5.693 -7.434 136 HB2 ALA 17 HB2 ALA 17 -4.819 -4.266 -8.256 137 HB3 ALA 17 HB3 ALA 17 -3.865 -5.108 -7.013 138 H VAL 18 H VAL 18 -4.419 -3.123 -4.061 139 HA VAL 18 HA VAL 18 -3.788 -0.425 -4.728 140 HB VAL 18 HB VAL 18 -2.756 -2.241 -2.497 141 HG11 VAL 18 HG11 VAL 18 -2.616 -0.039 -1.271 142 HG12 VAL 18 HG12 VAL 18 -1.459 -0.186 -2.616 143 HG13 VAL 18 HG13 VAL 18 -2.939 0.782 -2.809 144 HG21 VAL 18 HG21 VAL 18 -4.742 -0.607 -1.474 145 HG22 VAL 18 HG22 VAL 18 -5.367 -0.966 -3.083 146 HG23 VAL 18 HG23 VAL 18 -4.982 -2.308 -1.982 147 H THR 19 H THR 19 -2.247 -3.383 -5.531 148 HA THR 19 HA THR 19 0.419 -3.018 -5.203 149 HB THR 19 HB THR 19 -0.981 -4.154 -7.648 150 HG1 THR 19 HG1 THR 19 -0.739 -6.096 -6.404 151 HG21 THR 19 HG21 THR 19 1.755 -4.790 -6.470 152 HG22 THR 19 HG22 THR 19 1.019 -5.535 -7.902 153 HG23 THR 19 HG23 THR 19 1.479 -3.821 -7.941 154 H LYS 20 H LYS 20 -1.516 -1.519 -7.858 155 HA LYS 20 HA LYS 20 0.741 -0.744 -9.378 156 HB2 LYS 20 HB2 LYS 20 -1.988 0.590 -9.192 157 HB3 LYS 20 HB3 LYS 20 -0.808 0.791 -10.504 158 HG2 LYS 20 HG2 LYS 20 -0.959 -1.636 -11.006 159 HG3 LYS 20 HG3 LYS 20 -2.173 -1.818 -9.715 160 HD2 LYS 20 HD2 LYS 20 -3.626 -0.167 -10.873 161 HD3 LYS 20 HD3 LYS 20 -2.426 -0.036 -12.177 162 HE2 LYS 20 HE2 LYS 20 -2.693 -2.447 -12.661 163 HE3 LYS 20 HE3 LYS 20 -3.883 -2.580 -11.349 164 HZ1 LYS 20 HZ1 LYS 20 -5.259 -1.022 -12.524 165 HZ2 LYS 20 HZ2 LYS 20 -4.155 -0.895 -13.740 166 HZ3 LYS 20 HZ3 LYS 20 -4.931 -2.327 -13.478 167 H ALA 21 H ALA 21 -0.601 0.708 -6.452 168 HA ALA 21 HA ALA 21 0.680 3.279 -6.975 169 HB1 ALA 21 HB1 ALA 21 -0.590 2.107 -4.466 170 HB2 ALA 21 HB2 ALA 21 -0.093 3.802 -4.685 171 HB3 ALA 21 HB3 ALA 21 -1.405 3.126 -5.678 172 H LEU 22 H LEU 22 1.531 0.218 -5.434 173 HA LEU 22 HA LEU 22 3.734 1.415 -3.920 174 HB2 LEU 22 HB2 LEU 22 2.719 -1.414 -4.378 175 HB3 LEU 22 HB3 LEU 22 4.260 -1.086 -3.572 176 HG LEU 22 HG LEU 22 2.597 -1.381 -1.882 177 HD11 LEU 22 HD11 LEU 22 4.330 0.457 -1.641 178 HD12 LEU 22 HD12 LEU 22 3.061 1.614 -2.093 179 HD13 LEU 22 HD13 LEU 22 2.879 0.637 -0.622 180 HD21 LEU 22 HD21 LEU 22 0.601 -0.826 -3.256 181 HD22 LEU 22 HD22 LEU 22 0.604 0.002 -1.682 182 HD23 LEU 22 HD23 LEU 22 1.032 0.900 -3.153 183 H LYS 23 H LYS 23 3.245 -0.251 -7.029 184 HA LYS 23 HA LYS 23 5.911 -1.027 -7.459 185 HB2 LYS 23 HB2 LYS 23 3.841 -1.640 -8.793 186 HB3 LYS 23 HB3 LYS 23 3.985 -0.061 -9.601 187 HG2 LYS 23 HG2 LYS 23 6.305 -0.672 -10.297 188 HG3 LYS 23 HG3 LYS 23 6.112 -2.253 -9.506 189 HD2 LYS 23 HD2 LYS 23 4.225 -2.779 -11.014 190 HD3 LYS 23 HD3 LYS 23 4.393 -1.184 -11.786 191 HE2 LYS 23 HE2 LYS 23 6.707 -1.756 -12.458 192 HE3 LYS 23 HE3 LYS 23 6.535 -3.350 -11.696 193 HZ1 LYS 23 HZ1 LYS 23 4.915 -2.342 -13.930 194 HZ2 LYS 23 HZ2 LYS 23 6.142 -3.435 -14.047 195 HZ3 LYS 23 HZ3 LYS 23 4.768 -3.825 -13.223 196 H LYS 24 H LYS 24 4.465 2.174 -7.529 197 HA LYS 24 HA LYS 24 6.449 3.360 -9.243 198 HB2 LYS 24 HB2 LYS 24 4.641 4.599 -7.128 199 HB3 LYS 24 HB3 LYS 24 5.571 5.495 -8.347 200 HG2 LYS 24 HG2 LYS 24 4.343 4.296 -10.149 201 HG3 LYS 24 HG3 LYS 24 3.374 3.459 -8.912 202 HD2 LYS 24 HD2 LYS 24 2.593 5.661 -8.059 203 HD3 LYS 24 HD3 LYS 24 3.533 6.477 -9.328 204 HE2 LYS 24 HE2 LYS 24 2.222 5.285 -11.060 205 HE3 LYS 24 HE3 LYS 24 1.286 4.472 -9.787 206 HZ1 LYS 24 HZ1 LYS 24 1.384 7.372 -10.260 207 HZ2 LYS 24 HZ2 LYS 24 0.131 6.369 -10.634 208 HZ3 LYS 24 HZ3 LYS 24 0.537 6.630 -9.060 209 H VAL 25 H VAL 25 6.524 2.312 -5.917 210 HA VAL 25 HA VAL 25 8.485 4.267 -5.048 211 HB VAL 25 HB VAL 25 7.442 1.653 -3.904 212 HG11 VAL 25 HG11 VAL 25 8.542 2.330 -1.798 213 HG12 VAL 25 HG12 VAL 25 9.732 2.049 -3.088 214 HG13 VAL 25 HG13 VAL 25 9.289 3.711 -2.633 215 HG21 VAL 25 HG21 VAL 25 6.267 3.158 -2.343 216 HG22 VAL 25 HG22 VAL 25 6.989 4.567 -3.154 217 HG23 VAL 25 HG23 VAL 25 5.831 3.533 -4.025 218 HA PRO 26 HA PRO 26 11.970 2.237 -6.948 219 HB2 PRO 26 HB2 PRO 26 13.371 3.715 -4.726 220 HB3 PRO 26 HB3 PRO 26 13.804 3.641 -6.466 221 HG2 PRO 26 HG2 PRO 26 12.589 5.844 -5.461 222 HG3 PRO 26 HG3 PRO 26 12.047 5.160 -7.033 223 HD2 PRO 26 HD2 PRO 26 10.796 4.803 -4.301 224 HD3 PRO 26 HD3 PRO 26 10.004 5.138 -5.875 225 H GLY 27 H GLY 27 13.032 0.305 -6.503 226 HA2 GLY 27 HA2 GLY 27 14.199 -1.223 -5.181 227 HA3 GLY 27 HA3 GLY 27 13.619 -0.412 -3.716 228 H VAL 28 H VAL 28 10.765 -0.503 -4.989 229 HA VAL 28 HA VAL 28 9.997 -2.986 -3.721 230 HB VAL 28 HB VAL 28 8.510 -0.959 -5.436 231 HG11 VAL 28 HG11 VAL 28 7.442 -3.162 -5.684 232 HG12 VAL 28 HG12 VAL 28 7.433 -3.370 -3.916 233 HG13 VAL 28 HG13 VAL 28 6.446 -2.096 -4.671 234 HG21 VAL 28 HG21 VAL 28 8.492 -1.603 -2.453 235 HG22 VAL 28 HG22 VAL 28 9.238 -0.175 -3.208 236 HG23 VAL 28 HG23 VAL 28 7.472 -0.385 -3.252 237 H GLU 29 H GLU 29 9.860 -4.979 -4.596 238 HA GLU 29 HA GLU 29 9.867 -5.186 -7.571 239 HB2 GLU 29 HB2 GLU 29 12.102 -5.687 -6.674 240 HB3 GLU 29 HB3 GLU 29 11.395 -6.868 -5.548 241 HG2 GLU 29 HG2 GLU 29 10.532 -8.173 -7.484 242 HG3 GLU 29 HG3 GLU 29 11.295 -7.013 -8.590 243 H LYS 30 H LYS 30 8.735 -6.355 -4.425 244 HA LYS 30 HA LYS 30 6.774 -8.069 -5.875 245 HB2 LYS 30 HB2 LYS 30 8.225 -8.672 -3.274 246 HB3 LYS 30 HB3 LYS 30 6.976 -9.688 -4.017 247 HG2 LYS 30 HG2 LYS 30 8.416 -10.066 -5.977 248 HG3 LYS 30 HG3 LYS 30 9.640 -8.957 -5.312 249 HD2 LYS 30 HD2 LYS 30 9.861 -10.419 -3.315 250 HD3 LYS 30 HD3 LYS 30 8.714 -11.567 -4.044 251 HE2 LYS 30 HE2 LYS 30 10.225 -11.902 -5.949 252 HE3 LYS 30 HE3 LYS 30 11.337 -10.673 -5.312 253 HZ1 LYS 30 HZ1 LYS 30 11.671 -12.054 -3.396 254 HZ2 LYS 30 HZ2 LYS 30 10.649 -13.204 -3.990 255 HZ3 LYS 30 HZ3 LYS 30 12.063 -12.873 -4.771 256 H VAL 31 H VAL 31 4.704 -8.228 -4.872 257 HA VAL 31 HA VAL 31 4.191 -6.497 -2.543 258 HB VAL 31 HB VAL 31 2.799 -6.169 -5.231 259 HG11 VAL 31 HG11 VAL 31 1.307 -5.847 -3.267 260 HG12 VAL 31 HG12 VAL 31 2.453 -4.663 -2.609 261 HG13 VAL 31 HG13 VAL 31 1.603 -4.322 -4.133 262 HG21 VAL 31 HG21 VAL 31 3.758 -3.875 -5.180 263 HG22 VAL 31 HG22 VAL 31 4.672 -4.302 -3.715 264 HG23 VAL 31 HG23 VAL 31 5.021 -5.119 -5.258 265 H GLU 32 H GLU 32 2.228 -7.023 -1.477 266 HA GLU 32 HA GLU 32 0.586 -9.215 -2.571 267 HB2 GLU 32 HB2 GLU 32 2.365 -10.311 -1.217 268 HB3 GLU 32 HB3 GLU 32 1.926 -9.282 0.166 269 HG2 GLU 32 HG2 GLU 32 -0.407 -10.206 0.039 270 HG3 GLU 32 HG3 GLU 32 0.138 -11.314 -1.233 271 H VAL 33 H VAL 33 -1.561 -8.705 -2.209 272 HA VAL 33 HA VAL 33 -2.111 -6.824 0.028 273 HB VAL 33 HB VAL 33 -3.677 -5.605 -1.423 274 HG11 VAL 33 HG11 VAL 33 -0.884 -5.820 -2.623 275 HG12 VAL 33 HG12 VAL 33 -2.002 -4.449 -2.798 276 HG13 VAL 33 HG13 VAL 33 -1.325 -4.844 -1.202 277 HG21 VAL 33 HG21 VAL 33 -2.550 -7.362 -3.647 278 HG22 VAL 33 HG22 VAL 33 -4.211 -7.426 -3.011 279 HG23 VAL 33 HG23 VAL 33 -3.642 -5.976 -3.866 280 H SER 34 H SER 34 -4.263 -6.854 0.840 281 HA SER 34 HA SER 34 -5.875 -9.243 0.088 282 HB2 SER 34 HB2 SER 34 -4.684 -9.701 2.192 283 HB3 SER 34 HB3 SER 34 -5.311 -8.188 2.888 284 HG SER 34 HG SER 34 -6.538 -10.103 3.413 285 H LEU 35 H LEU 35 -7.465 -8.243 -1.051 286 HA LEU 35 HA LEU 35 -8.249 -5.558 -0.632 287 HB2 LEU 35 HB2 LEU 35 -9.746 -7.821 -2.008 288 HB3 LEU 35 HB3 LEU 35 -10.017 -6.090 -2.260 289 HG LEU 35 HG LEU 35 -7.442 -7.588 -2.873 290 HD11 LEU 35 HD11 LEU 35 -8.062 -7.207 -5.236 291 HD12 LEU 35 HD12 LEU 35 -9.293 -8.180 -4.396 292 HD13 LEU 35 HD13 LEU 35 -9.587 -6.455 -4.716 293 HD21 LEU 35 HD21 LEU 35 -8.161 -4.790 -3.782 294 HD22 LEU 35 HD22 LEU 35 -7.292 -5.077 -2.241 295 HD23 LEU 35 HD23 LEU 35 -6.587 -5.587 -3.786 296 H GLU 36 H GLU 36 -9.360 -8.500 0.980 297 HA GLU 36 HA GLU 36 -11.916 -7.269 1.700 298 HB2 GLU 36 HB2 GLU 36 -10.536 -9.865 2.467 299 HB3 GLU 36 HB3 GLU 36 -12.095 -9.343 3.149 300 HG2 GLU 36 HG2 GLU 36 -13.020 -9.125 0.855 301 HG3 GLU 36 HG3 GLU 36 -11.494 -9.742 0.193 302 H LYS 37 H LYS 37 -8.693 -7.659 3.163 303 HA LYS 37 HA LYS 37 -9.793 -6.532 5.677 304 HB2 LYS 37 HB2 LYS 37 -7.188 -7.984 5.103 305 HB3 LYS 37 HB3 LYS 37 -7.644 -7.276 6.676 306 HG2 LYS 37 HG2 LYS 37 -9.747 -8.614 6.641 307 HG3 LYS 37 HG3 LYS 37 -9.215 -9.393 5.137 308 HD2 LYS 37 HD2 LYS 37 -7.264 -10.341 6.295 309 HD3 LYS 37 HD3 LYS 37 -7.723 -9.489 7.793 310 HE2 LYS 37 HE2 LYS 37 -9.889 -10.697 7.806 311 HE3 LYS 37 HE3 LYS 37 -9.410 -11.572 6.338 312 HZ1 LYS 37 HZ1 LYS 37 -9.017 -12.832 8.340 313 HZ2 LYS 37 HZ2 LYS 37 -7.599 -12.518 7.557 314 HZ3 LYS 37 HZ3 LYS 37 -8.000 -11.671 8.914 315 H GLY 38 H GLY 38 -8.274 -5.535 2.832 316 HA2 GLY 38 HA2 GLY 38 -7.493 -3.477 2.225 317 HA3 GLY 38 HA3 GLY 38 -8.013 -2.868 3.808 318 H GLU 39 H GLU 39 -5.788 -5.592 3.782 319 HA GLU 39 HA GLU 39 -3.670 -3.751 4.778 320 HB2 GLU 39 HB2 GLU 39 -3.983 -6.779 4.926 321 HB3 GLU 39 HB3 GLU 39 -2.623 -5.854 5.603 322 HG2 GLU 39 HG2 GLU 39 -4.200 -4.595 7.041 323 HG3 GLU 39 HG3 GLU 39 -5.550 -5.540 6.387 324 H ALA 40 H ALA 40 -1.505 -3.951 3.946 325 HA ALA 40 HA ALA 40 -1.185 -5.444 1.419 326 HB1 ALA 40 HB1 ALA 40 -2.148 -3.274 0.769 327 HB2 ALA 40 HB2 ALA 40 -0.889 -2.424 1.696 328 HB3 ALA 40 HB3 ALA 40 -0.447 -3.384 0.264 329 H LEU 41 H LEU 41 0.758 -6.306 1.318 330 HA LEU 41 HA LEU 41 2.953 -5.238 3.035 331 HB2 LEU 41 HB2 LEU 41 2.436 -8.054 1.976 332 HB3 LEU 41 HB3 LEU 41 3.881 -7.541 2.847 333 HG LEU 41 HG LEU 41 2.561 -8.648 4.433 334 HD11 LEU 41 HD11 LEU 41 3.512 -6.449 5.163 335 HD12 LEU 41 HD12 LEU 41 1.936 -5.699 4.818 336 HD13 LEU 41 HD13 LEU 41 2.076 -6.943 6.083 337 HD21 LEU 41 HD21 LEU 41 0.217 -8.213 4.878 338 HD22 LEU 41 HD22 LEU 41 0.177 -6.920 3.666 339 HD23 LEU 41 HD23 LEU 41 0.423 -8.608 3.156 340 H VAL 42 H VAL 42 5.082 -5.239 2.125 341 HA VAL 42 HA VAL 42 5.274 -5.747 -0.783 342 HB VAL 42 HB VAL 42 6.641 -3.708 -1.050 343 HG11 VAL 42 HG11 VAL 42 4.825 -2.207 -1.283 344 HG12 VAL 42 HG12 VAL 42 4.120 -3.818 -1.462 345 HG13 VAL 42 HG13 VAL 42 3.928 -2.947 0.077 346 HG21 VAL 42 HG21 VAL 42 5.643 -2.990 1.739 347 HG22 VAL 42 HG22 VAL 42 7.308 -3.468 1.342 348 HG23 VAL 42 HG23 VAL 42 6.634 -1.969 0.671 349 H GLU 43 H GLU 43 7.583 -5.993 -1.462 350 HA GLU 43 HA GLU 43 9.437 -6.526 0.772 351 HB2 GLU 43 HB2 GLU 43 8.269 -8.649 0.261 352 HB3 GLU 43 HB3 GLU 43 8.828 -8.544 -1.419 353 HG2 GLU 43 HG2 GLU 43 11.165 -8.620 -0.670 354 HG3 GLU 43 HG3 GLU 43 10.638 -8.619 1.027 355 H GLY 44 H GLY 44 10.746 -4.793 0.220 356 HA2 GLY 44 HA2 GLY 44 12.420 -5.131 -2.131 357 HA3 GLY 44 HA3 GLY 44 11.347 -3.716 -2.211 358 H THR 45 H THR 45 13.827 -2.928 -2.275 359 HA THR 45 HA THR 45 14.883 -2.574 0.458 360 HB THR 45 HB THR 45 16.839 -1.602 -0.787 361 HG1 THR 45 HG1 THR 45 16.232 -0.876 -2.667 362 HG21 THR 45 HG21 THR 45 17.164 -3.825 -2.242 363 HG22 THR 45 HG22 THR 45 17.207 -3.879 -0.450 364 HG23 THR 45 HG23 THR 45 15.744 -4.352 -1.343 365 H ALA 46 H ALA 46 12.344 -1.215 -0.507 366 HA ALA 46 HA ALA 46 13.047 1.559 -0.954 367 HB1 ALA 46 HB1 ALA 46 10.619 1.908 -0.699 368 HB2 ALA 46 HB2 ALA 46 10.950 0.528 -1.774 369 HB3 ALA 46 HB3 ALA 46 10.437 0.244 -0.094 370 H ASP 47 H ASP 47 11.971 3.254 0.606 371 HA ASP 47 HA ASP 47 12.718 2.514 3.394 372 HB2 ASP 47 HB2 ASP 47 12.570 5.201 1.978 373 HB3 ASP 47 HB3 ASP 47 12.882 4.996 3.712 374 HA PRO 48 HA PRO 48 8.581 2.809 4.732 375 HB2 PRO 48 HB2 PRO 48 9.605 4.644 6.895 376 HB3 PRO 48 HB3 PRO 48 8.564 3.190 7.061 377 HG2 PRO 48 HG2 PRO 48 11.196 3.034 7.664 378 HG3 PRO 48 HG3 PRO 48 10.428 1.735 6.688 379 HD2 PRO 48 HD2 PRO 48 12.092 4.071 5.717 380 HD3 PRO 48 HD3 PRO 48 12.173 2.347 5.233 381 H LYS 49 H LYS 49 10.399 5.915 4.702 382 HA LYS 49 HA LYS 49 8.020 7.542 4.682 383 HB2 LYS 49 HB2 LYS 49 10.907 8.142 3.910 384 HB3 LYS 49 HB3 LYS 49 9.618 9.353 4.078 385 HG2 LYS 49 HG2 LYS 49 9.283 8.636 6.443 386 HG3 LYS 49 HG3 LYS 49 10.664 7.526 6.281 387 HD2 LYS 49 HD2 LYS 49 12.153 9.406 5.766 388 HD3 LYS 49 HD3 LYS 49 10.776 10.533 5.784 389 HE2 LYS 49 HE2 LYS 49 10.361 10.003 8.159 390 HE3 LYS 49 HE3 LYS 49 11.735 8.878 8.154 391 HZ1 LYS 49 HZ1 LYS 49 13.162 10.717 7.637 392 HZ2 LYS 49 HZ2 LYS 49 11.890 11.765 7.623 393 HZ3 LYS 49 HZ3 LYS 49 12.328 11.023 9.026 394 H ALA 50 H ALA 50 9.652 5.688 2.233 395 HA ALA 50 HA ALA 50 8.610 7.408 0.067 396 HB1 ALA 50 HB1 ALA 50 10.874 6.427 -0.132 397 HB2 ALA 50 HB2 ALA 50 10.180 4.795 0.020 398 HB3 ALA 50 HB3 ALA 50 9.786 5.800 -1.392 399 H LEU 51 H LEU 51 8.056 4.303 1.701 400 HA LEU 51 HA LEU 51 6.262 3.257 -0.245 401 HB2 LEU 51 HB2 LEU 51 7.600 2.071 1.638 402 HB3 LEU 51 HB3 LEU 51 6.261 2.553 2.700 403 HG LEU 51 HG LEU 51 4.707 1.473 0.940 404 HD11 LEU 51 HD11 LEU 51 5.820 -0.290 -0.445 405 HD12 LEU 51 HD12 LEU 51 6.357 1.342 -0.900 406 HD13 LEU 51 HD13 LEU 51 7.403 0.306 0.097 407 HD21 LEU 51 HD21 LEU 51 5.346 0.472 3.159 408 HD22 LEU 51 HD22 LEU 51 5.003 -0.737 1.896 409 HD23 LEU 51 HD23 LEU 51 6.685 -0.362 2.344 410 H VAL 52 H VAL 52 5.588 4.575 3.059 411 HA VAL 52 HA VAL 52 2.758 4.486 2.705 412 HB VAL 52 HB VAL 52 4.446 6.128 4.635 413 HG11 VAL 52 HG11 VAL 52 1.565 5.132 4.768 414 HG12 VAL 52 HG12 VAL 52 2.432 5.957 6.084 415 HG13 VAL 52 HG13 VAL 52 2.077 6.826 4.576 416 HG21 VAL 52 HG21 VAL 52 4.129 4.210 6.164 417 HG22 VAL 52 HG22 VAL 52 3.288 3.318 4.874 418 HG23 VAL 52 HG23 VAL 52 5.014 3.720 4.704 419 H GLN 53 H GLN 53 5.199 6.839 1.739 420 HA GLN 53 HA GLN 53 3.291 9.033 1.590 421 HB2 GLN 53 HB2 GLN 53 5.704 9.339 2.056 422 HB3 GLN 53 HB3 GLN 53 6.092 8.713 0.438 423 HG2 GLN 53 HG2 GLN 53 4.867 10.577 -0.596 424 HG3 GLN 53 HG3 GLN 53 4.373 11.164 1.007 425 HE21 GLN 53 HE21 GLN 53 8.331 11.589 -0.205 426 HE22 GLN 53 HE22 GLN 53 7.320 10.342 -0.909 427 H ALA 54 H ALA 54 4.668 6.590 -0.624 428 HA ALA 54 HA ALA 54 3.874 7.782 -3.051 429 HB1 ALA 54 HB1 ALA 54 4.055 5.488 -3.957 430 HB2 ALA 54 HB2 ALA 54 5.422 5.894 -2.894 431 HB3 ALA 54 HB3 ALA 54 4.113 4.843 -2.298 432 H VAL 55 H VAL 55 2.100 5.487 -0.893 433 HA VAL 55 HA VAL 55 -0.185 5.404 -2.671 434 HB VAL 55 HB VAL 55 -1.274 4.262 -0.747 435 HG11 VAL 55 HG11 VAL 55 0.241 2.317 -0.711 436 HG12 VAL 55 HG12 VAL 55 0.129 3.006 -2.347 437 HG13 VAL 55 HG13 VAL 55 1.564 3.326 -1.343 438 HG21 VAL 55 HG21 VAL 55 0.044 3.791 1.280 439 HG22 VAL 55 HG22 VAL 55 1.370 4.805 0.669 440 HG23 VAL 55 HG23 VAL 55 -0.199 5.540 1.078 441 H GLU 56 H GLU 56 0.935 7.596 -0.145 442 HA GLU 56 HA GLU 56 -1.718 8.697 0.311 443 HB2 GLU 56 HB2 GLU 56 0.170 8.778 1.962 444 HB3 GLU 56 HB3 GLU 56 1.008 9.924 0.895 445 HG2 GLU 56 HG2 GLU 56 -0.921 11.475 1.055 446 HG3 GLU 56 HG3 GLU 56 -1.771 10.308 2.075 447 H GLU 57 H GLU 57 0.860 9.072 -2.034 448 HA GLU 57 HA GLU 57 0.114 11.679 -2.985 449 HB2 GLU 57 HB2 GLU 57 2.316 10.555 -3.350 450 HB3 GLU 57 HB3 GLU 57 1.514 9.391 -4.426 451 HG2 GLU 57 HG2 GLU 57 0.837 11.216 -5.927 452 HG3 GLU 57 HG3 GLU 57 1.541 12.412 -4.818 453 H GLU 58 H GLU 58 -1.144 8.428 -3.383 454 HA GLU 58 HA GLU 58 -2.731 9.095 -5.760 455 HB2 GLU 58 HB2 GLU 58 -2.672 6.704 -3.880 456 HB3 GLU 58 HB3 GLU 58 -3.693 6.808 -5.326 457 HG2 GLU 58 HG2 GLU 58 -0.653 7.008 -5.318 458 HG3 GLU 58 HG3 GLU 58 -1.572 5.546 -5.704 459 H GLY 59 H GLY 59 -2.871 9.707 -2.414 460 HA2 GLY 59 HA2 GLY 59 -4.567 11.181 -1.619 461 HA3 GLY 59 HA3 GLY 59 -5.727 10.442 -2.731 462 H TYR 60 H TYR 60 -3.812 8.046 -1.100 463 HA TYR 60 HA TYR 60 -5.953 7.795 0.961 464 HB2 TYR 60 HB2 TYR 60 -4.879 5.657 -0.901 465 HB3 TYR 60 HB3 TYR 60 -5.869 5.329 0.527 466 HD1 TYR 60 HD1 TYR 60 -5.877 6.557 -2.924 467 HD2 TYR 60 HD2 TYR 60 -8.212 6.052 0.650 468 HE1 TYR 60 HE1 TYR 60 -7.953 6.890 -4.241 469 HE2 TYR 60 HE2 TYR 60 -10.290 6.377 -0.655 470 HH TYR 60 HH TYR 60 -11.199 6.756 -2.724 471 H LYS 61 H LYS 61 -5.214 7.596 2.945 472 HA LYS 61 HA LYS 61 -2.415 7.350 3.537 473 HB2 LYS 61 HB2 LYS 61 -4.896 7.103 5.286 474 HB3 LYS 61 HB3 LYS 61 -3.231 7.284 5.885 475 HG2 LYS 61 HG2 LYS 61 -3.031 9.465 4.785 476 HG3 LYS 61 HG3 LYS 61 -4.640 9.275 4.054 477 HD2 LYS 61 HD2 LYS 61 -5.656 9.193 6.314 478 HD3 LYS 61 HD3 LYS 61 -4.049 9.445 7.039 479 HE2 LYS 61 HE2 LYS 61 -3.849 11.612 5.855 480 HE3 LYS 61 HE3 LYS 61 -5.414 11.321 5.071 481 HZ1 LYS 61 HZ1 LYS 61 -4.892 11.877 7.888 482 HZ2 LYS 61 HZ2 LYS 61 -5.865 12.676 6.845 483 HZ3 LYS 61 HZ3 LYS 61 -6.317 11.187 7.385 484 H ALA 62 H ALA 62 -1.582 5.611 5.073 485 HA ALA 62 HA ALA 62 -2.947 3.021 4.913 486 HB1 ALA 62 HB1 ALA 62 -1.696 3.149 2.787 487 HB2 ALA 62 HB2 ALA 62 -0.199 3.488 3.690 488 HB3 ALA 62 HB3 ALA 62 -1.020 1.918 3.876 489 H GLU 63 H GLU 63 -3.025 2.952 7.143 490 HA GLU 63 HA GLU 63 -0.877 3.707 8.858 491 HB2 GLU 63 HB2 GLU 63 -3.299 3.601 9.471 492 HB3 GLU 63 HB3 GLU 63 -3.209 1.827 9.401 493 HG2 GLU 63 HG2 GLU 63 -1.366 1.917 11.113 494 HG3 GLU 63 HG3 GLU 63 -1.612 3.671 11.230 495 H VAL 64 H VAL 64 1.090 2.692 8.707 496 HA VAL 64 HA VAL 64 1.494 -0.045 8.094 497 HB VAL 64 HB VAL 64 3.756 0.366 9.064 498 HG11 VAL 64 HG11 VAL 64 3.206 0.977 6.742 499 HG12 VAL 64 HG12 VAL 64 2.639 2.573 7.285 500 HG13 VAL 64 HG13 VAL 64 4.354 2.140 7.445 501 HG21 VAL 64 HG21 VAL 64 4.224 2.819 9.669 502 HG22 VAL 64 HG22 VAL 64 2.479 3.011 9.870 503 HG23 VAL 64 HG23 VAL 64 3.364 1.867 10.906 504 H LEU 65 H LEU 65 0.580 -1.669 9.239 505 HA LEU 65 HA LEU 65 -0.042 -1.344 12.069 506 HB2 LEU 65 HB2 LEU 65 -0.227 -3.745 10.201 507 HB3 LEU 65 HB3 LEU 65 -0.917 -3.654 11.831 508 HG LEU 65 HG LEU 65 -1.687 -1.844 9.493 509 HD11 LEU 65 HD11 LEU 65 -3.920 -3.210 10.077 510 HD12 LEU 65 HD12 LEU 65 -2.695 -3.881 8.951 511 HD13 LEU 65 HD13 LEU 65 -2.760 -4.408 10.648 512 HD21 LEU 65 HD21 LEU 65 -1.922 -0.749 11.693 513 HD22 LEU 65 HD22 LEU 65 -3.515 -1.159 11.030 514 HD23 LEU 65 HD23 LEU 65 -2.804 -2.166 12.313 515 H ALA 66 H ALA 66 2.308 -0.926 12.646 516 HA ALA 66 HA ALA 66 3.592 -3.517 13.329 517 HB1 ALA 66 HB1 ALA 66 4.775 -1.196 11.787 518 HB2 ALA 66 HB2 ALA 66 5.809 -2.259 12.793 519 HB3 ALA 66 HB3 ALA 66 4.868 -2.925 11.439 Start of MODEL 12 1 H1 MET 1 H MET 1 7.869 -4.022 11.167 2 HA MET 1 HA MET 1 9.135 -3.445 8.557 3 HB2 MET 1 HB2 MET 1 9.075 -5.854 9.146 4 HB3 MET 1 HB3 MET 1 7.309 -5.767 9.278 5 HG2 MET 1 HG2 MET 1 7.139 -5.149 6.909 6 HG3 MET 1 HG3 MET 1 8.901 -5.033 6.798 7 HE1 MET 1 HE1 MET 1 6.198 -7.628 8.116 8 HE2 MET 1 HE2 MET 1 5.794 -7.160 6.447 9 HE3 MET 1 HE3 MET 1 6.309 -8.825 6.805 10 H LEU 2 H LEU 2 7.434 -3.295 6.743 11 HA LEU 2 HA LEU 2 5.391 -1.402 7.697 12 HB2 LEU 2 HB2 LEU 2 6.261 -2.215 4.896 13 HB3 LEU 2 HB3 LEU 2 5.202 -0.848 5.301 14 HG LEU 2 HG LEU 2 8.071 -1.168 6.293 15 HD11 LEU 2 HD11 LEU 2 7.948 -0.861 3.832 16 HD12 LEU 2 HD12 LEU 2 6.986 0.619 4.085 17 HD13 LEU 2 HD13 LEU 2 8.668 0.537 4.655 18 HD21 LEU 2 HD21 LEU 2 6.641 0.223 7.754 19 HD22 LEU 2 HD22 LEU 2 7.832 1.222 6.895 20 HD23 LEU 2 HD23 LEU 2 6.140 1.190 6.346 21 H LYS 3 H LYS 3 3.178 -1.586 7.156 22 HA LYS 3 HA LYS 3 2.113 -4.040 6.006 23 HB2 LYS 3 HB2 LYS 3 2.786 -4.569 8.402 24 HB3 LYS 3 HB3 LYS 3 1.577 -3.394 8.942 25 HG2 LYS 3 HG2 LYS 3 -0.215 -4.725 7.977 26 HG3 LYS 3 HG3 LYS 3 0.956 -5.758 7.118 27 HD2 LYS 3 HD2 LYS 3 1.908 -6.479 9.297 28 HD3 LYS 3 HD3 LYS 3 0.676 -5.521 10.144 29 HE2 LYS 3 HE2 LYS 3 -1.104 -6.881 9.143 30 HE3 LYS 3 HE3 LYS 3 0.096 -7.784 8.192 31 HZ1 LYS 3 HZ1 LYS 3 1.056 -8.554 10.230 32 HZ2 LYS 3 HZ2 LYS 3 -0.044 -7.716 11.126 33 HZ3 LYS 3 HZ3 LYS 3 -0.539 -8.964 10.165 34 H LEU 4 H LEU 4 1.275 -2.398 4.560 35 HA LEU 4 HA LEU 4 0.192 0.040 5.690 36 HB2 LEU 4 HB2 LEU 4 0.798 -1.105 2.988 37 HB3 LEU 4 HB3 LEU 4 -0.424 0.180 3.077 38 HG LEU 4 HG LEU 4 1.182 1.610 4.338 39 HD11 LEU 4 HD11 LEU 4 3.146 -0.621 3.666 40 HD12 LEU 4 HD12 LEU 4 3.561 0.955 4.386 41 HD13 LEU 4 HD13 LEU 4 2.568 -0.205 5.295 42 HD21 LEU 4 HD21 LEU 4 0.958 1.790 1.875 43 HD22 LEU 4 HD22 LEU 4 2.626 2.118 2.398 44 HD23 LEU 4 HD23 LEU 4 2.214 0.546 1.672 45 H LYS 5 H LYS 5 -1.670 -0.153 6.778 46 HA LYS 5 HA LYS 5 -3.963 -1.625 5.711 47 HB2 LYS 5 HB2 LYS 5 -3.558 -1.395 8.160 48 HB3 LYS 5 HB3 LYS 5 -3.651 0.370 7.987 49 HG2 LYS 5 HG2 LYS 5 -5.990 0.026 7.011 50 HG3 LYS 5 HG3 LYS 5 -5.883 -1.656 7.580 51 HD2 LYS 5 HD2 LYS 5 -5.500 -0.857 9.879 52 HD3 LYS 5 HD3 LYS 5 -5.487 0.829 9.309 53 HE2 LYS 5 HE2 LYS 5 -7.816 0.585 8.523 54 HE3 LYS 5 HE3 LYS 5 -7.839 -1.095 9.097 55 HZ1 LYS 5 HZ1 LYS 5 -7.433 1.278 10.781 56 HZ2 LYS 5 HZ2 LYS 5 -8.829 0.412 10.663 57 HZ3 LYS 5 HZ3 LYS 5 -7.481 -0.286 11.307 58 H VAL 6 H VAL 6 -4.536 -0.702 3.715 59 HA VAL 6 HA VAL 6 -4.282 2.097 3.209 60 HB VAL 6 HB VAL 6 -6.020 0.050 1.780 61 HG11 VAL 6 HG11 VAL 6 -4.789 2.707 0.907 62 HG12 VAL 6 HG12 VAL 6 -5.683 1.588 -0.147 63 HG13 VAL 6 HG13 VAL 6 -6.519 2.403 1.192 64 HG21 VAL 6 HG21 VAL 6 -3.670 -0.698 1.936 65 HG22 VAL 6 HG22 VAL 6 -4.062 -0.193 0.278 66 HG23 VAL 6 HG23 VAL 6 -3.119 0.884 1.334 67 H GLU 7 H GLU 7 -5.561 3.764 3.646 68 HA GLU 7 HA GLU 7 -7.906 3.427 5.303 69 HB2 GLU 7 HB2 GLU 7 -6.197 5.271 5.468 70 HB3 GLU 7 HB3 GLU 7 -6.776 5.886 3.907 71 HG2 GLU 7 HG2 GLU 7 -7.845 7.129 5.703 72 HG3 GLU 7 HG3 GLU 7 -9.065 6.121 4.900 73 H GLY 8 H GLY 8 -10.066 3.858 4.762 74 HA2 GLY 8 HA2 GLY 8 -10.689 3.765 1.868 75 HA3 GLY 8 HA3 GLY 8 -11.798 3.404 3.212 76 H MET 9 H MET 9 -9.718 6.182 2.150 77 HA MET 9 HA MET 9 -11.333 8.094 3.496 78 HB2 MET 9 HB2 MET 9 -9.379 8.429 1.185 79 HB3 MET 9 HB3 MET 9 -9.965 9.726 2.252 80 HG2 MET 9 HG2 MET 9 -9.028 8.460 4.206 81 HG3 MET 9 HG3 MET 9 -8.366 7.275 3.073 82 HE1 MET 9 HE1 MET 9 -6.988 11.664 3.540 83 HE2 MET 9 HE2 MET 9 -8.595 11.237 2.907 84 HE3 MET 9 HE3 MET 9 -8.164 10.834 4.586 85 H THR 10 H THR 10 -11.209 7.107 0.016 86 HA THR 10 HA THR 10 -13.901 8.308 -0.272 87 HB THR 10 HB THR 10 -13.217 9.278 -2.461 88 HG1 THR 10 HG1 THR 10 -10.908 9.534 -2.711 89 HG21 THR 10 HG21 THR 10 -13.290 10.661 -0.394 90 HG22 THR 10 HG22 THR 10 -11.574 10.282 -0.102 91 HG23 THR 10 HG23 THR 10 -12.049 11.218 -1.538 92 H CYS 11 H CYS 11 -14.934 7.620 -2.356 93 HA CYS 11 HA CYS 11 -15.808 5.863 -3.515 94 HB2 CYS 11 HB2 CYS 11 -12.856 5.496 -4.138 95 HB3 CYS 11 HB3 CYS 11 -14.203 4.810 -5.079 96 HG CYS 11 HG CYS 11 -15.365 7.065 -5.613 97 H ASN 12 H ASN 12 -15.275 5.304 -0.698 98 HA ASN 12 HA ASN 12 -14.109 2.720 -0.392 99 HB2 ASN 12 HB2 ASN 12 -15.203 2.785 1.813 100 HB3 ASN 12 HB3 ASN 12 -14.403 4.326 1.452 101 HD21 ASN 12 HD21 ASN 12 -18.288 4.331 2.424 102 HD22 ASN 12 HD22 ASN 12 -17.192 3.002 2.718 103 H HIS 13 H HIS 13 -16.894 3.621 -2.059 104 HA HIS 13 HA HIS 13 -18.617 1.432 -1.260 105 HB2 HIS 13 HB2 HIS 13 -18.638 3.183 -3.745 106 HB3 HIS 13 HB3 HIS 13 -19.973 2.180 -3.156 107 HD1 HIS 13 HD1 HIS 13 -19.227 5.646 -3.224 108 HD2 HIS 13 HD2 HIS 13 -20.262 2.931 -0.176 109 HE1 HIS 13 HE1 HIS 13 -20.175 7.031 -1.294 110 H CYS 14 H CYS 14 -15.751 1.620 -3.110 111 HA CYS 14 HA CYS 14 -16.388 -0.985 -4.387 112 HB2 CYS 14 HB2 CYS 14 -14.895 1.346 -5.651 113 HB3 CYS 14 HB3 CYS 14 -15.095 -0.272 -6.366 114 HG CYS 14 HG CYS 14 -16.710 1.386 -7.546 115 H VAL 15 H VAL 15 -14.070 -1.842 -5.302 116 HA VAL 15 HA VAL 15 -11.920 -1.189 -3.414 117 HB VAL 15 HB VAL 15 -13.285 -2.879 -2.237 118 HG11 VAL 15 HG11 VAL 15 -13.488 -5.157 -3.112 119 HG12 VAL 15 HG12 VAL 15 -14.246 -4.004 -4.231 120 HG13 VAL 15 HG13 VAL 15 -12.645 -4.687 -4.604 121 HG21 VAL 15 HG21 VAL 15 -11.482 -4.492 -1.801 122 HG22 VAL 15 HG22 VAL 15 -10.643 -3.978 -3.283 123 HG23 VAL 15 HG23 VAL 15 -10.836 -2.842 -1.926 124 H MET 16 H MET 16 -9.919 -1.503 -4.291 125 HA MET 16 HA MET 16 -9.566 -3.257 -6.619 126 HB2 MET 16 HB2 MET 16 -9.049 -0.247 -6.699 127 HB3 MET 16 HB3 MET 16 -8.377 -1.421 -7.845 128 HG2 MET 16 HG2 MET 16 -10.222 -0.753 -9.005 129 HG3 MET 16 HG3 MET 16 -10.866 -2.167 -8.169 130 HE1 MET 16 HE1 MET 16 -13.939 0.208 -8.392 131 HE2 MET 16 HE2 MET 16 -12.649 -0.054 -9.592 132 HE3 MET 16 HE3 MET 16 -13.302 -1.430 -8.673 133 H ALA 17 H ALA 17 -7.238 -3.531 -7.104 134 HA ALA 17 HA ALA 17 -5.694 -3.684 -4.658 135 HB1 ALA 17 HB1 ALA 17 -5.585 -5.423 -6.400 136 HB2 ALA 17 HB2 ALA 17 -4.948 -4.233 -7.561 137 HB3 ALA 17 HB3 ALA 17 -3.988 -4.686 -6.133 138 H VAL 18 H VAL 18 -4.773 -1.910 -3.808 139 HA VAL 18 HA VAL 18 -4.129 0.442 -5.301 140 HB VAL 18 HB VAL 18 -3.128 -0.421 -2.549 141 HG11 VAL 18 HG11 VAL 18 -3.169 2.081 -2.202 142 HG12 VAL 18 HG12 VAL 18 -1.953 1.538 -3.381 143 HG13 VAL 18 HG13 VAL 18 -3.480 2.265 -3.939 144 HG21 VAL 18 HG21 VAL 18 -5.236 1.332 -2.200 145 HG22 VAL 18 HG22 VAL 18 -5.790 0.387 -3.580 146 HG23 VAL 18 HG23 VAL 18 -5.366 -0.449 -2.068 147 H THR 19 H THR 19 -2.641 -2.581 -5.145 148 HA THR 19 HA THR 19 0.008 -2.360 -4.837 149 HB THR 19 HB THR 19 -1.391 -3.778 -7.129 150 HG1 THR 19 HG1 THR 19 -1.502 -5.466 -5.603 151 HG21 THR 19 HG21 THR 19 1.200 -4.445 -5.677 152 HG22 THR 19 HG22 THR 19 0.467 -5.362 -7.004 153 HG23 THR 19 HG23 THR 19 1.102 -3.730 -7.308 154 H LYS 20 H LYS 20 -1.734 -1.135 -7.746 155 HA LYS 20 HA LYS 20 0.588 -0.772 -9.332 156 HB2 LYS 20 HB2 LYS 20 -2.063 0.726 -9.330 157 HB3 LYS 20 HB3 LYS 20 -0.857 0.767 -10.638 158 HG2 LYS 20 HG2 LYS 20 -1.054 -1.679 -10.913 159 HG3 LYS 20 HG3 LYS 20 -2.251 -1.741 -9.600 160 HD2 LYS 20 HD2 LYS 20 -3.775 -0.303 -10.887 161 HD3 LYS 20 HD3 LYS 20 -2.568 -0.166 -12.188 162 HE2 LYS 20 HE2 LYS 20 -2.636 -2.624 -12.502 163 HE3 LYS 20 HE3 LYS 20 -3.858 -2.751 -11.221 164 HZ1 LYS 20 HZ1 LYS 20 -5.300 -1.387 -12.555 165 HZ2 LYS 20 HZ2 LYS 20 -4.164 -1.285 -13.748 166 HZ3 LYS 20 HZ3 LYS 20 -4.849 -2.739 -13.378 167 H ALA 21 H ALA 21 -0.659 1.122 -6.635 168 HA ALA 21 HA ALA 21 0.924 3.484 -7.313 169 HB1 ALA 21 HB1 ALA 21 -0.542 2.662 -4.776 170 HB2 ALA 21 HB2 ALA 21 0.132 4.273 -5.119 171 HB3 ALA 21 HB3 ALA 21 -1.217 3.645 -6.096 172 H LEU 22 H LEU 22 1.323 0.458 -5.561 173 HA LEU 22 HA LEU 22 3.547 1.420 -3.940 174 HB2 LEU 22 HB2 LEU 22 2.289 -1.299 -4.499 175 HB3 LEU 22 HB3 LEU 22 3.756 -1.115 -3.533 176 HG LEU 22 HG LEU 22 1.871 -1.280 -2.062 177 HD11 LEU 22 HD11 LEU 22 3.742 0.305 -1.490 178 HD12 LEU 22 HD12 LEU 22 2.734 1.631 -2.098 179 HD13 LEU 22 HD13 LEU 22 2.188 0.680 -0.700 180 HD21 LEU 22 HD21 LEU 22 0.133 -0.464 -3.634 181 HD22 LEU 22 HD22 LEU 22 0.034 0.317 -2.040 182 HD23 LEU 22 HD23 LEU 22 0.736 1.196 -3.413 183 H LYS 23 H LYS 23 3.075 -0.377 -6.996 184 HA LYS 23 HA LYS 23 5.676 -1.414 -7.196 185 HB2 LYS 23 HB2 LYS 23 3.599 -1.982 -8.557 186 HB3 LYS 23 HB3 LYS 23 3.954 -0.544 -9.541 187 HG2 LYS 23 HG2 LYS 23 6.214 -1.472 -10.032 188 HG3 LYS 23 HG3 LYS 23 5.829 -2.901 -9.047 189 HD2 LYS 23 HD2 LYS 23 3.973 -3.464 -10.570 190 HD3 LYS 23 HD3 LYS 23 4.343 -2.027 -11.559 191 HE2 LYS 23 HE2 LYS 23 6.608 -2.902 -11.998 192 HE3 LYS 23 HE3 LYS 23 6.275 -4.315 -10.980 193 HZ1 LYS 23 HZ1 LYS 23 4.852 -3.619 -13.455 194 HZ2 LYS 23 HZ2 LYS 23 5.990 -4.798 -13.294 195 HZ3 LYS 23 HZ3 LYS 23 4.552 -4.937 -12.504 196 H LYS 24 H LYS 24 4.565 1.881 -7.654 197 HA LYS 24 HA LYS 24 6.659 2.642 -9.478 198 HB2 LYS 24 HB2 LYS 24 4.953 4.334 -7.616 199 HB3 LYS 24 HB3 LYS 24 5.874 4.919 -9.018 200 HG2 LYS 24 HG2 LYS 24 4.486 3.514 -10.516 201 HG3 LYS 24 HG3 LYS 24 3.578 2.914 -9.107 202 HD2 LYS 24 HD2 LYS 24 2.936 5.266 -8.564 203 HD3 LYS 24 HD3 LYS 24 3.744 5.804 -10.054 204 HE2 LYS 24 HE2 LYS 24 2.235 4.357 -11.386 205 HE3 LYS 24 HE3 LYS 24 1.443 3.813 -9.894 206 HZ1 LYS 24 HZ1 LYS 24 1.497 6.568 -10.912 207 HZ2 LYS 24 HZ2 LYS 24 0.202 5.550 -10.918 208 HZ3 LYS 24 HZ3 LYS 24 0.814 6.096 -9.489 209 H VAL 25 H VAL 25 6.653 2.105 -6.022 210 HA VAL 25 HA VAL 25 8.624 4.140 -5.431 211 HB VAL 25 HB VAL 25 7.577 1.719 -3.932 212 HG11 VAL 25 HG11 VAL 25 8.696 2.673 -1.940 213 HG12 VAL 25 HG12 VAL 25 9.870 2.178 -3.177 214 HG13 VAL 25 HG13 VAL 25 9.471 3.900 -2.968 215 HG21 VAL 25 HG21 VAL 25 6.477 3.489 -2.564 216 HG22 VAL 25 HG22 VAL 25 7.172 4.727 -3.633 217 HG23 VAL 25 HG23 VAL 25 5.979 3.572 -4.271 218 HA PRO 26 HA PRO 26 12.164 1.959 -7.006 219 HB2 PRO 26 HB2 PRO 26 13.507 3.650 -4.905 220 HB3 PRO 26 HB3 PRO 26 13.978 3.415 -6.621 221 HG2 PRO 26 HG2 PRO 26 12.731 5.694 -5.848 222 HG3 PRO 26 HG3 PRO 26 12.238 4.870 -7.367 223 HD2 PRO 26 HD2 PRO 26 10.903 4.763 -4.656 224 HD3 PRO 26 HD3 PRO 26 10.161 4.931 -6.280 225 H GLY 27 H GLY 27 13.260 0.114 -6.355 226 HA2 GLY 27 HA2 GLY 27 14.387 -1.282 -4.858 227 HA3 GLY 27 HA3 GLY 27 13.703 -0.385 -3.491 228 H VAL 28 H VAL 28 10.943 -0.608 -4.916 229 HA VAL 28 HA VAL 28 10.186 -3.134 -3.646 230 HB VAL 28 HB VAL 28 8.652 -1.011 -5.200 231 HG11 VAL 28 HG11 VAL 28 7.573 -3.204 -5.489 232 HG12 VAL 28 HG12 VAL 28 7.621 -3.470 -3.730 233 HG13 VAL 28 HG13 VAL 28 6.615 -2.169 -4.409 234 HG21 VAL 28 HG21 VAL 28 8.745 -1.752 -2.243 235 HG22 VAL 28 HG22 VAL 28 9.470 -0.304 -2.981 236 HG23 VAL 28 HG23 VAL 28 7.704 -0.503 -2.964 237 H GLU 29 H GLU 29 9.873 -5.073 -4.710 238 HA GLU 29 HA GLU 29 9.873 -4.938 -7.688 239 HB2 GLU 29 HB2 GLU 29 12.094 -5.644 -6.857 240 HB3 GLU 29 HB3 GLU 29 11.327 -6.970 -5.953 241 HG2 GLU 29 HG2 GLU 29 10.447 -7.903 -8.072 242 HG3 GLU 29 HG3 GLU 29 11.208 -6.577 -8.973 243 H LYS 30 H LYS 30 8.755 -6.497 -4.691 244 HA LYS 30 HA LYS 30 6.596 -7.735 -6.309 245 HB2 LYS 30 HB2 LYS 30 8.211 -9.066 -4.103 246 HB3 LYS 30 HB3 LYS 30 6.730 -9.736 -4.833 247 HG2 LYS 30 HG2 LYS 30 7.786 -9.686 -7.061 248 HG3 LYS 30 HG3 LYS 30 9.262 -8.990 -6.361 249 HD2 LYS 30 HD2 LYS 30 9.589 -11.027 -4.991 250 HD3 LYS 30 HD3 LYS 30 8.094 -11.709 -5.679 251 HE2 LYS 30 HE2 LYS 30 9.395 -12.568 -7.307 252 HE3 LYS 30 HE3 LYS 30 9.480 -10.915 -7.945 253 HZ1 LYS 30 HZ1 LYS 30 11.469 -10.612 -6.619 254 HZ2 LYS 30 HZ2 LYS 30 11.373 -12.166 -6.073 255 HZ3 LYS 30 HZ3 LYS 30 11.641 -11.867 -7.674 256 H VAL 31 H VAL 31 4.594 -8.020 -5.189 257 HA VAL 31 HA VAL 31 4.337 -6.643 -2.590 258 HB VAL 31 HB VAL 31 2.799 -5.888 -5.111 259 HG11 VAL 31 HG11 VAL 31 1.446 -5.768 -3.025 260 HG12 VAL 31 HG12 VAL 31 2.698 -4.745 -2.297 261 HG13 VAL 31 HG13 VAL 31 1.775 -4.149 -3.691 262 HG21 VAL 31 HG21 VAL 31 3.885 -3.673 -4.822 263 HG22 VAL 31 HG22 VAL 31 4.854 -4.333 -3.483 264 HG23 VAL 31 HG23 VAL 31 5.074 -4.954 -5.137 265 H GLU 32 H GLU 32 2.436 -7.252 -1.451 266 HA GLU 32 HA GLU 32 0.674 -9.259 -2.721 267 HB2 GLU 32 HB2 GLU 32 2.525 -10.469 -1.589 268 HB3 GLU 32 HB3 GLU 32 2.113 -9.652 -0.066 269 HG2 GLU 32 HG2 GLU 32 -0.114 -10.678 -0.087 270 HG3 GLU 32 HG3 GLU 32 0.201 -11.390 -1.682 271 H VAL 33 H VAL 33 -1.423 -8.768 -2.275 272 HA VAL 33 HA VAL 33 -1.961 -7.102 0.127 273 HB VAL 33 HB VAL 33 -3.424 -5.677 -1.207 274 HG11 VAL 33 HG11 VAL 33 -0.679 -5.987 -2.498 275 HG12 VAL 33 HG12 VAL 33 -1.715 -4.549 -2.579 276 HG13 VAL 33 HG13 VAL 33 -1.029 -5.060 -1.020 277 HG21 VAL 33 HG21 VAL 33 -2.476 -7.340 -3.581 278 HG22 VAL 33 HG22 VAL 33 -4.122 -7.335 -2.902 279 HG23 VAL 33 HG23 VAL 33 -3.474 -5.870 -3.671 280 H SER 34 H SER 34 -4.186 -7.120 0.846 281 HA SER 34 HA SER 34 -5.775 -9.434 -0.149 282 HB2 SER 34 HB2 SER 34 -4.729 -10.030 1.988 283 HB3 SER 34 HB3 SER 34 -5.381 -8.555 2.739 284 HG SER 34 HG SER 34 -6.631 -10.545 3.022 285 H LEU 35 H LEU 35 -7.355 -8.448 -1.275 286 HA LEU 35 HA LEU 35 -8.133 -5.762 -0.894 287 HB2 LEU 35 HB2 LEU 35 -9.713 -8.002 -2.207 288 HB3 LEU 35 HB3 LEU 35 -9.884 -6.265 -2.511 289 HG LEU 35 HG LEU 35 -7.424 -7.953 -3.107 290 HD11 LEU 35 HD11 LEU 35 -8.018 -7.555 -5.467 291 HD12 LEU 35 HD12 LEU 35 -9.334 -8.396 -4.619 292 HD13 LEU 35 HD13 LEU 35 -9.466 -6.654 -4.960 293 HD21 LEU 35 HD21 LEU 35 -7.925 -5.113 -4.033 294 HD22 LEU 35 HD22 LEU 35 -7.079 -5.463 -2.493 295 HD23 LEU 35 HD23 LEU 35 -6.417 -6.031 -4.037 296 H GLU 36 H GLU 36 -9.222 -8.664 0.786 297 HA GLU 36 HA GLU 36 -11.792 -7.458 1.478 298 HB2 GLU 36 HB2 GLU 36 -10.351 -9.966 2.424 299 HB3 GLU 36 HB3 GLU 36 -11.995 -9.495 2.916 300 HG2 GLU 36 HG2 GLU 36 -12.705 -9.482 0.548 301 HG3 GLU 36 HG3 GLU 36 -11.074 -9.978 0.055 302 H LYS 37 H LYS 37 -8.568 -7.807 2.978 303 HA LYS 37 HA LYS 37 -9.709 -6.723 5.478 304 HB2 LYS 37 HB2 LYS 37 -7.030 -8.036 4.909 305 HB3 LYS 37 HB3 LYS 37 -7.587 -7.443 6.496 306 HG2 LYS 37 HG2 LYS 37 -9.653 -8.883 6.206 307 HG3 LYS 37 HG3 LYS 37 -8.870 -9.619 4.791 308 HD2 LYS 37 HD2 LYS 37 -7.005 -10.386 6.208 309 HD3 LYS 37 HD3 LYS 37 -7.718 -9.550 7.610 310 HE2 LYS 37 HE2 LYS 37 -9.791 -10.937 7.315 311 HE3 LYS 37 HE3 LYS 37 -8.955 -11.852 6.044 312 HZ1 LYS 37 HZ1 LYS 37 -8.831 -12.935 8.164 313 HZ2 LYS 37 HZ2 LYS 37 -7.324 -12.485 7.678 314 HZ3 LYS 37 HZ3 LYS 37 -8.104 -11.622 8.848 315 H GLY 38 H GLY 38 -8.080 -5.527 2.712 316 HA2 GLY 38 HA2 GLY 38 -7.412 -3.339 2.347 317 HA3 GLY 38 HA3 GLY 38 -7.846 -2.954 4.022 318 H GLU 39 H GLU 39 -5.668 -5.640 3.343 319 HA GLU 39 HA GLU 39 -3.489 -4.173 4.750 320 HB2 GLU 39 HB2 GLU 39 -3.868 -7.102 3.983 321 HB3 GLU 39 HB3 GLU 39 -2.482 -6.451 4.880 322 HG2 GLU 39 HG2 GLU 39 -3.977 -5.734 6.700 323 HG3 GLU 39 HG3 GLU 39 -5.381 -6.362 5.810 324 H ALA 40 H ALA 40 -1.367 -4.175 3.870 325 HA ALA 40 HA ALA 40 -1.030 -4.988 1.062 326 HB1 ALA 40 HB1 ALA 40 -1.950 -2.707 0.924 327 HB2 ALA 40 HB2 ALA 40 -0.719 -2.128 2.065 328 HB3 ALA 40 HB3 ALA 40 -0.236 -2.706 0.459 329 H LEU 41 H LEU 41 0.694 -6.256 1.291 330 HA LEU 41 HA LEU 41 2.952 -5.371 3.025 331 HB2 LEU 41 HB2 LEU 41 2.165 -8.087 1.870 332 HB3 LEU 41 HB3 LEU 41 3.703 -7.756 2.669 333 HG LEU 41 HG LEU 41 2.327 -8.787 4.287 334 HD11 LEU 41 HD11 LEU 41 3.632 -6.795 5.054 335 HD12 LEU 41 HD12 LEU 41 2.176 -5.794 4.830 336 HD13 LEU 41 HD13 LEU 41 2.182 -7.103 6.033 337 HD21 LEU 41 HD21 LEU 41 0.103 -8.039 4.908 338 HD22 LEU 41 HD22 LEU 41 0.181 -6.698 3.749 339 HD23 LEU 41 HD23 LEU 41 0.143 -8.380 3.164 340 H VAL 42 H VAL 42 5.080 -5.426 2.122 341 HA VAL 42 HA VAL 42 5.187 -5.737 -0.832 342 HB VAL 42 HB VAL 42 6.679 -3.793 -0.980 343 HG11 VAL 42 HG11 VAL 42 4.984 -2.134 -0.933 344 HG12 VAL 42 HG12 VAL 42 4.144 -3.658 -1.228 345 HG13 VAL 42 HG13 VAL 42 4.113 -2.946 0.404 346 HG21 VAL 42 HG21 VAL 42 5.926 -3.301 1.932 347 HG22 VAL 42 HG22 VAL 42 7.526 -3.819 1.353 348 HG23 VAL 42 HG23 VAL 42 6.892 -2.223 0.897 349 H GLU 43 H GLU 43 7.450 -6.089 -1.609 350 HA GLU 43 HA GLU 43 9.263 -7.058 0.516 351 HB2 GLU 43 HB2 GLU 43 7.890 -8.961 -0.440 352 HB3 GLU 43 HB3 GLU 43 8.689 -8.662 -2.000 353 HG2 GLU 43 HG2 GLU 43 10.891 -9.022 -0.944 354 HG3 GLU 43 HG3 GLU 43 10.116 -9.219 0.640 355 H GLY 44 H GLY 44 10.538 -5.242 0.211 356 HA2 GLY 44 HA2 GLY 44 12.269 -5.277 -2.132 357 HA3 GLY 44 HA3 GLY 44 11.203 -3.858 -2.023 358 H THR 45 H THR 45 13.444 -2.839 -1.906 359 HA THR 45 HA THR 45 14.393 -2.773 0.918 360 HB THR 45 HB THR 45 16.611 -2.106 -0.106 361 HG1 THR 45 HG1 THR 45 16.356 -1.555 -2.123 362 HG21 THR 45 HG21 THR 45 16.849 -4.519 -1.248 363 HG22 THR 45 HG22 THR 45 16.640 -4.350 0.526 364 HG23 THR 45 HG23 THR 45 15.265 -4.768 -0.519 365 H ALA 46 H ALA 46 12.191 -1.207 -0.387 366 HA ALA 46 HA ALA 46 13.229 1.440 -0.903 367 HB1 ALA 46 HB1 ALA 46 10.843 2.062 -0.897 368 HB2 ALA 46 HB2 ALA 46 11.104 0.581 -1.850 369 HB3 ALA 46 HB3 ALA 46 10.421 0.475 -0.212 370 H ASP 47 H ASP 47 12.373 3.358 0.426 371 HA ASP 47 HA ASP 47 13.262 2.977 3.161 372 HB2 ASP 47 HB2 ASP 47 12.080 5.372 1.694 373 HB3 ASP 47 HB3 ASP 47 12.793 5.420 3.318 374 HA PRO 48 HA PRO 48 9.449 2.285 5.196 375 HB2 PRO 48 HB2 PRO 48 10.336 4.458 7.088 376 HB3 PRO 48 HB3 PRO 48 9.729 2.813 7.477 377 HG2 PRO 48 HG2 PRO 48 12.379 3.327 7.592 378 HG3 PRO 48 HG3 PRO 48 11.799 1.821 6.801 379 HD2 PRO 48 HD2 PRO 48 12.650 4.415 5.493 380 HD3 PRO 48 HD3 PRO 48 13.064 2.730 5.041 381 H LYS 49 H LYS 49 10.352 5.784 5.049 382 HA LYS 49 HA LYS 49 7.605 6.663 5.256 383 HB2 LYS 49 HB2 LYS 49 10.130 8.116 4.367 384 HB3 LYS 49 HB3 LYS 49 8.585 8.882 4.786 385 HG2 LYS 49 HG2 LYS 49 8.756 7.964 7.084 386 HG3 LYS 49 HG3 LYS 49 10.312 7.210 6.664 387 HD2 LYS 49 HD2 LYS 49 11.249 9.438 6.133 388 HD3 LYS 49 HD3 LYS 49 9.699 10.196 6.563 389 HE2 LYS 49 HE2 LYS 49 9.899 9.344 8.863 390 HE3 LYS 49 HE3 LYS 49 11.416 8.522 8.443 391 HZ1 LYS 49 HZ1 LYS 49 12.375 10.649 7.966 392 HZ2 LYS 49 HZ2 LYS 49 10.968 11.423 8.337 393 HZ3 LYS 49 HZ3 LYS 49 11.799 10.624 9.513 394 H ALA 50 H ALA 50 9.877 5.994 2.584 395 HA ALA 50 HA ALA 50 8.469 7.412 0.583 396 HB1 ALA 50 HB1 ALA 50 10.781 6.603 0.333 397 HB2 ALA 50 HB2 ALA 50 10.202 4.919 0.356 398 HB3 ALA 50 HB3 ALA 50 9.751 5.999 -0.984 399 H LEU 51 H LEU 51 7.987 4.166 1.971 400 HA LEU 51 HA LEU 51 6.314 3.219 -0.139 401 HB2 LEU 51 HB2 LEU 51 7.537 1.938 1.796 402 HB3 LEU 51 HB3 LEU 51 6.087 2.336 2.746 403 HG LEU 51 HG LEU 51 4.763 1.381 0.715 404 HD11 LEU 51 HD11 LEU 51 6.011 -0.250 -0.645 405 HD12 LEU 51 HD12 LEU 51 6.771 1.352 -0.797 406 HD13 LEU 51 HD13 LEU 51 7.505 0.118 0.247 407 HD21 LEU 51 HD21 LEU 51 5.062 0.256 2.952 408 HD22 LEU 51 HD22 LEU 51 4.888 -0.877 1.588 409 HD23 LEU 51 HD23 LEU 51 6.491 -0.564 2.289 410 H VAL 52 H VAL 52 5.579 4.604 3.106 411 HA VAL 52 HA VAL 52 2.740 4.476 2.768 412 HB VAL 52 HB VAL 52 4.489 6.152 4.617 413 HG11 VAL 52 HG11 VAL 52 1.546 5.374 4.785 414 HG12 VAL 52 HG12 VAL 52 2.470 6.200 6.063 415 HG13 VAL 52 HG13 VAL 52 2.187 7.012 4.509 416 HG21 VAL 52 HG21 VAL 52 4.041 4.343 6.245 417 HG22 VAL 52 HG22 VAL 52 3.149 3.441 4.997 418 HG23 VAL 52 HG23 VAL 52 4.897 3.721 4.817 419 H GLN 53 H GLN 53 5.206 6.873 1.897 420 HA GLN 53 HA GLN 53 3.356 9.056 1.601 421 HB2 GLN 53 HB2 GLN 53 5.777 9.314 2.033 422 HB3 GLN 53 HB3 GLN 53 6.139 8.595 0.450 423 HG2 GLN 53 HG2 GLN 53 4.956 10.442 -0.673 424 HG3 GLN 53 HG3 GLN 53 4.519 11.134 0.903 425 HE21 GLN 53 HE21 GLN 53 8.388 11.468 -0.542 426 HE22 GLN 53 HE22 GLN 53 7.273 10.312 -1.237 427 H ALA 54 H ALA 54 4.568 6.470 -0.509 428 HA ALA 54 HA ALA 54 3.936 7.584 -3.002 429 HB1 ALA 54 HB1 ALA 54 3.938 5.238 -3.780 430 HB2 ALA 54 HB2 ALA 54 5.290 5.563 -2.669 431 HB3 ALA 54 HB3 ALA 54 3.856 4.680 -2.093 432 H VAL 55 H VAL 55 1.909 5.354 -0.985 433 HA VAL 55 HA VAL 55 -0.300 5.544 -2.832 434 HB VAL 55 HB VAL 55 -1.520 4.333 -1.020 435 HG11 VAL 55 HG11 VAL 55 -0.103 2.319 -1.071 436 HG12 VAL 55 HG12 VAL 55 -0.129 3.120 -2.659 437 HG13 VAL 55 HG13 VAL 55 1.287 3.298 -1.596 438 HG21 VAL 55 HG21 VAL 55 -0.261 3.640 0.994 439 HG22 VAL 55 HG22 VAL 55 1.107 4.659 0.501 440 HG23 VAL 55 HG23 VAL 55 -0.450 5.406 0.935 441 H GLU 56 H GLU 56 0.775 7.466 -0.060 442 HA GLU 56 HA GLU 56 -1.830 8.591 0.446 443 HB2 GLU 56 HB2 GLU 56 -0.003 8.546 2.107 444 HB3 GLU 56 HB3 GLU 56 0.952 9.648 1.093 445 HG2 GLU 56 HG2 GLU 56 -0.775 11.381 1.307 446 HG3 GLU 56 HG3 GLU 56 -1.804 10.269 2.234 447 H GLU 57 H GLU 57 0.700 9.130 -1.921 448 HA GLU 57 HA GLU 57 -0.123 11.780 -2.688 449 HB2 GLU 57 HB2 GLU 57 2.097 10.770 -3.195 450 HB3 GLU 57 HB3 GLU 57 1.304 9.621 -4.292 451 HG2 GLU 57 HG2 GLU 57 0.496 11.476 -5.687 452 HG3 GLU 57 HG3 GLU 57 1.184 12.654 -4.550 453 H GLU 58 H GLU 58 -1.295 8.512 -3.294 454 HA GLU 58 HA GLU 58 -2.893 9.285 -5.611 455 HB2 GLU 58 HB2 GLU 58 -2.894 6.811 -3.833 456 HB3 GLU 58 HB3 GLU 58 -3.873 7.004 -5.301 457 HG2 GLU 58 HG2 GLU 58 -0.832 7.152 -5.186 458 HG3 GLU 58 HG3 GLU 58 -1.774 5.756 -5.739 459 H GLY 59 H GLY 59 -3.089 9.747 -2.240 460 HA2 GLY 59 HA2 GLY 59 -4.810 11.197 -1.402 461 HA3 GLY 59 HA3 GLY 59 -5.947 10.498 -2.568 462 H TYR 60 H TYR 60 -3.968 8.085 -1.086 463 HA TYR 60 HA TYR 60 -6.113 7.564 0.915 464 HB2 TYR 60 HB2 TYR 60 -4.774 5.548 -0.915 465 HB3 TYR 60 HB3 TYR 60 -5.996 5.194 0.314 466 HD1 TYR 60 HD1 TYR 60 -5.371 6.380 -3.068 467 HD2 TYR 60 HD2 TYR 60 -8.329 6.079 0.033 468 HE1 TYR 60 HE1 TYR 60 -7.148 6.863 -4.728 469 HE2 TYR 60 HE2 TYR 60 -10.117 6.564 -1.615 470 HH TYR 60 HH TYR 60 -10.600 7.115 -3.785 471 H LYS 61 H LYS 61 -5.251 7.626 2.892 472 HA LYS 61 HA LYS 61 -2.451 7.463 3.418 473 HB2 LYS 61 HB2 LYS 61 -4.861 7.059 5.237 474 HB3 LYS 61 HB3 LYS 61 -3.194 7.309 5.793 475 HG2 LYS 61 HG2 LYS 61 -3.142 9.534 4.782 476 HG3 LYS 61 HG3 LYS 61 -4.753 9.281 4.072 477 HD2 LYS 61 HD2 LYS 61 -5.705 9.005 6.351 478 HD3 LYS 61 HD3 LYS 61 -4.101 9.329 7.050 479 HE2 LYS 61 HE2 LYS 61 -4.091 11.569 5.986 480 HE3 LYS 61 HE3 LYS 61 -5.664 11.212 5.245 481 HZ1 LYS 61 HZ1 LYS 61 -5.062 11.638 8.069 482 HZ2 LYS 61 HZ2 LYS 61 -6.139 12.421 7.115 483 HZ3 LYS 61 HZ3 LYS 61 -6.454 10.875 7.583 484 H ALA 62 H ALA 62 -1.532 5.780 5.003 485 HA ALA 62 HA ALA 62 -2.767 3.126 4.795 486 HB1 ALA 62 HB1 ALA 62 -1.475 3.327 2.710 487 HB2 ALA 62 HB2 ALA 62 -0.013 3.722 3.646 488 HB3 ALA 62 HB3 ALA 62 -0.769 2.116 3.800 489 H GLU 63 H GLU 63 -2.931 3.123 7.033 490 HA GLU 63 HA GLU 63 -0.814 3.904 8.786 491 HB2 GLU 63 HB2 GLU 63 -3.249 3.863 9.340 492 HB3 GLU 63 HB3 GLU 63 -3.198 2.087 9.313 493 HG2 GLU 63 HG2 GLU 63 -1.444 2.149 11.091 494 HG3 GLU 63 HG3 GLU 63 -1.568 3.920 11.127 495 H VAL 64 H VAL 64 1.148 2.828 8.666 496 HA VAL 64 HA VAL 64 1.467 0.065 8.130 497 HB VAL 64 HB VAL 64 3.714 0.390 9.152 498 HG11 VAL 64 HG11 VAL 64 3.274 1.013 6.814 499 HG12 VAL 64 HG12 VAL 64 2.764 2.637 7.330 500 HG13 VAL 64 HG13 VAL 64 4.452 2.121 7.552 501 HG21 VAL 64 HG21 VAL 64 4.271 2.821 9.761 502 HG22 VAL 64 HG22 VAL 64 2.529 3.083 9.923 503 HG23 VAL 64 HG23 VAL 64 3.344 1.903 10.977 504 H LEU 65 H LEU 65 0.607 -1.563 9.289 505 HA LEU 65 HA LEU 65 -0.167 -1.169 12.074 506 HB2 LEU 65 HB2 LEU 65 -0.199 -3.616 10.259 507 HB3 LEU 65 HB3 LEU 65 -0.949 -3.523 11.866 508 HG LEU 65 HG LEU 65 -1.684 -1.751 9.484 509 HD11 LEU 65 HD11 LEU 65 -3.897 -3.182 9.974 510 HD12 LEU 65 HD12 LEU 65 -2.611 -3.812 8.895 511 HD13 LEU 65 HD13 LEU 65 -2.728 -4.348 10.589 512 HD21 LEU 65 HD21 LEU 65 -2.054 -0.672 11.682 513 HD22 LEU 65 HD22 LEU 65 -3.597 -1.123 10.933 514 HD23 LEU 65 HD23 LEU 65 -2.928 -2.119 12.245 515 H ALA 66 H ALA 66 2.036 -0.637 12.809 516 HA ALA 66 HA ALA 66 3.618 -3.088 13.406 517 HB1 ALA 66 HB1 ALA 66 4.499 -0.478 12.144 518 HB2 ALA 66 HB2 ALA 66 5.646 -1.468 13.099 519 HB3 ALA 66 HB3 ALA 66 4.867 -2.130 11.646 Start of MODEL 13 1 H1 MET 1 H MET 1 8.145 -4.272 10.903 2 HA MET 1 HA MET 1 9.014 -4.090 8.641 3 HB2 MET 1 HB2 MET 1 8.787 -6.623 8.384 4 HB3 MET 1 HB3 MET 1 7.099 -6.332 7.925 5 HG2 MET 1 HG2 MET 1 7.836 -4.944 6.044 6 HG3 MET 1 HG3 MET 1 9.513 -5.031 6.601 7 HE1 MET 1 HE1 MET 1 8.664 -5.550 3.636 8 HE2 MET 1 HE2 MET 1 10.339 -5.683 4.223 9 HE3 MET 1 HE3 MET 1 9.633 -6.991 3.245 10 H LEU 2 H LEU 2 7.205 -3.785 6.546 11 HA LEU 2 HA LEU 2 5.350 -1.842 7.772 12 HB2 LEU 2 HB2 LEU 2 6.019 -2.477 4.866 13 HB3 LEU 2 HB3 LEU 2 5.030 -1.114 5.431 14 HG LEU 2 HG LEU 2 7.955 -1.587 6.151 15 HD11 LEU 2 HD11 LEU 2 6.667 0.438 4.279 16 HD12 LEU 2 HD12 LEU 2 8.395 0.341 4.684 17 HD13 LEU 2 HD13 LEU 2 7.623 -0.979 3.776 18 HD21 LEU 2 HD21 LEU 2 6.739 -0.361 7.909 19 HD22 LEU 2 HD22 LEU 2 7.823 0.738 7.031 20 HD23 LEU 2 HD23 LEU 2 6.079 0.757 6.688 21 H LYS 3 H LYS 3 3.131 -1.835 7.317 22 HA LYS 3 HA LYS 3 1.855 -4.184 6.160 23 HB2 LYS 3 HB2 LYS 3 2.596 -4.768 8.529 24 HB3 LYS 3 HB3 LYS 3 1.466 -3.540 9.120 25 HG2 LYS 3 HG2 LYS 3 -0.421 -4.773 8.194 26 HG3 LYS 3 HG3 LYS 3 0.675 -5.868 7.317 27 HD2 LYS 3 HD2 LYS 3 1.633 -6.631 9.482 28 HD3 LYS 3 HD3 LYS 3 0.456 -5.617 10.347 29 HE2 LYS 3 HE2 LYS 3 -1.396 -6.876 9.334 30 HE3 LYS 3 HE3 LYS 3 -0.249 -7.832 8.377 31 HZ1 LYS 3 HZ1 LYS 3 0.658 -8.679 10.416 32 HZ2 LYS 3 HZ2 LYS 3 -0.415 -7.803 11.311 33 HZ3 LYS 3 HZ3 LYS 3 -0.954 -9.004 10.316 34 H LEU 4 H LEU 4 1.207 -2.401 4.783 35 HA LEU 4 HA LEU 4 0.209 0.054 5.894 36 HB2 LEU 4 HB2 LEU 4 0.780 -1.166 3.227 37 HB3 LEU 4 HB3 LEU 4 -0.404 0.144 3.249 38 HG LEU 4 HG LEU 4 1.189 1.625 4.388 39 HD11 LEU 4 HD11 LEU 4 3.548 0.927 4.671 40 HD12 LEU 4 HD12 LEU 4 2.455 -0.058 5.667 41 HD13 LEU 4 HD13 LEU 4 3.118 -0.719 4.152 42 HD21 LEU 4 HD21 LEU 4 1.162 1.528 1.915 43 HD22 LEU 4 HD22 LEU 4 2.795 1.872 2.530 44 HD23 LEU 4 HD23 LEU 4 2.387 0.238 1.955 45 H LYS 5 H LYS 5 -1.711 0.182 6.858 46 HA LYS 5 HA LYS 5 -4.086 -1.244 5.898 47 HB2 LYS 5 HB2 LYS 5 -3.742 -0.767 8.329 48 HB3 LYS 5 HB3 LYS 5 -3.708 0.971 7.958 49 HG2 LYS 5 HG2 LYS 5 -6.022 0.525 6.815 50 HG3 LYS 5 HG3 LYS 5 -6.046 -0.957 7.793 51 HD2 LYS 5 HD2 LYS 5 -5.860 0.371 9.845 52 HD3 LYS 5 HD3 LYS 5 -5.565 1.848 8.891 53 HE2 LYS 5 HE2 LYS 5 -7.831 1.507 7.808 54 HE3 LYS 5 HE3 LYS 5 -8.113 0.207 8.982 55 HZ1 LYS 5 HZ1 LYS 5 -7.430 2.114 10.606 56 HZ2 LYS 5 HZ2 LYS 5 -7.965 3.061 9.385 57 HZ3 LYS 5 HZ3 LYS 5 -8.996 1.967 10.052 58 H VAL 6 H VAL 6 -4.620 -0.461 3.812 59 HA VAL 6 HA VAL 6 -4.412 2.335 3.174 60 HB VAL 6 HB VAL 6 -6.051 0.137 1.823 61 HG11 VAL 6 HG11 VAL 6 -4.896 2.770 0.804 62 HG12 VAL 6 HG12 VAL 6 -5.737 1.557 -0.190 63 HG13 VAL 6 HG13 VAL 6 -6.617 2.426 1.086 64 HG21 VAL 6 HG21 VAL 6 -4.055 -0.140 0.377 65 HG22 VAL 6 HG22 VAL 6 -3.169 1.022 1.395 66 HG23 VAL 6 HG23 VAL 6 -3.694 -0.538 2.070 67 H GLU 7 H GLU 7 -5.634 3.821 4.220 68 HA GLU 7 HA GLU 7 -8.267 3.223 5.257 69 HB2 GLU 7 HB2 GLU 7 -6.601 4.887 6.206 70 HB3 GLU 7 HB3 GLU 7 -6.945 5.928 4.811 71 HG2 GLU 7 HG2 GLU 7 -8.331 6.637 6.676 72 HG3 GLU 7 HG3 GLU 7 -9.378 5.885 5.458 73 H GLY 8 H GLY 8 -10.086 3.110 4.050 74 HA2 GLY 8 HA2 GLY 8 -10.095 4.286 1.344 75 HA3 GLY 8 HA3 GLY 8 -11.253 3.117 2.010 76 H MET 9 H MET 9 -10.255 6.521 1.961 77 HA MET 9 HA MET 9 -12.275 7.495 3.725 78 HB2 MET 9 HB2 MET 9 -10.791 8.925 1.482 79 HB3 MET 9 HB3 MET 9 -11.634 9.690 2.843 80 HG2 MET 9 HG2 MET 9 -10.099 8.556 4.423 81 HG3 MET 9 HG3 MET 9 -9.263 7.800 3.059 82 HE1 MET 9 HE1 MET 9 -6.907 8.574 3.650 83 HE2 MET 9 HE2 MET 9 -6.510 10.213 4.219 84 HE3 MET 9 HE3 MET 9 -7.604 9.179 5.171 85 H THR 10 H THR 10 -12.214 6.867 0.201 86 HA THR 10 HA THR 10 -15.078 7.647 0.114 87 HB THR 10 HB THR 10 -14.668 8.756 -2.056 88 HG1 THR 10 HG1 THR 10 -12.492 9.199 -2.592 89 HG21 THR 10 HG21 THR 10 -14.690 10.073 0.052 90 HG22 THR 10 HG22 THR 10 -12.931 9.843 0.201 91 HG23 THR 10 HG23 THR 10 -13.594 10.774 -1.159 92 H CYS 11 H CYS 11 -16.085 6.955 -2.021 93 HA CYS 11 HA CYS 11 -16.784 5.262 -3.341 94 HB2 CYS 11 HB2 CYS 11 -13.793 4.874 -3.736 95 HB3 CYS 11 HB3 CYS 11 -15.088 4.282 -4.805 96 HG CYS 11 HG CYS 11 -14.393 6.237 -6.099 97 H ASN 12 H ASN 12 -16.699 4.574 -0.579 98 HA ASN 12 HA ASN 12 -15.421 2.084 -0.115 99 HB2 ASN 12 HB2 ASN 12 -16.804 1.992 1.862 100 HB3 ASN 12 HB3 ASN 12 -16.294 3.673 1.616 101 HD21 ASN 12 HD21 ASN 12 -20.194 2.834 1.975 102 HD22 ASN 12 HD22 ASN 12 -18.885 1.774 2.449 103 H HIS 13 H HIS 13 -17.999 2.758 -2.242 104 HA HIS 13 HA HIS 13 -19.429 0.237 -1.769 105 HB2 HIS 13 HB2 HIS 13 -19.638 2.378 -3.919 106 HB3 HIS 13 HB3 HIS 13 -20.688 0.959 -3.809 107 HD1 HIS 13 HD1 HIS 13 -20.698 4.456 -2.768 108 HD2 HIS 13 HD2 HIS 13 -21.953 0.757 -1.196 109 HE1 HIS 13 HE1 HIS 13 -22.436 4.973 -0.965 110 H CYS 14 H CYS 14 -16.553 1.183 -3.367 111 HA CYS 14 HA CYS 14 -16.686 -1.267 -5.051 112 HB2 CYS 14 HB2 CYS 14 -15.542 1.447 -5.815 113 HB3 CYS 14 HB3 CYS 14 -15.420 -0.033 -6.794 114 HG CYS 14 HG CYS 14 -17.536 -0.006 -7.798 115 H VAL 15 H VAL 15 -14.264 -1.580 -5.949 116 HA VAL 15 HA VAL 15 -12.302 -1.019 -3.816 117 HB VAL 15 HB VAL 15 -13.327 -3.219 -3.314 118 HG11 VAL 15 HG11 VAL 15 -12.972 -5.114 -4.847 119 HG12 VAL 15 HG12 VAL 15 -13.957 -3.855 -5.625 120 HG13 VAL 15 HG13 VAL 15 -12.236 -4.025 -6.044 121 HG21 VAL 15 HG21 VAL 15 -10.500 -3.530 -4.387 122 HG22 VAL 15 HG22 VAL 15 -10.907 -2.715 -2.852 123 HG23 VAL 15 HG23 VAL 15 -11.267 -4.442 -3.073 124 H MET 16 H MET 16 -10.070 -1.226 -4.614 125 HA MET 16 HA MET 16 -9.833 -1.416 -7.561 126 HB2 MET 16 HB2 MET 16 -8.974 0.954 -5.856 127 HB3 MET 16 HB3 MET 16 -8.513 0.707 -7.555 128 HG2 MET 16 HG2 MET 16 -10.879 0.693 -8.210 129 HG3 MET 16 HG3 MET 16 -11.369 0.915 -6.527 130 HE1 MET 16 HE1 MET 16 -10.350 4.511 -5.661 131 HE2 MET 16 HE2 MET 16 -11.209 3.035 -5.167 132 HE3 MET 16 HE3 MET 16 -9.437 3.021 -5.327 133 H ALA 17 H ALA 17 -7.575 -1.580 -8.269 134 HA ALA 17 HA ALA 17 -6.072 -3.295 -6.468 135 HB1 ALA 17 HB1 ALA 17 -6.263 -3.778 -8.875 136 HB2 ALA 17 HB2 ALA 17 -5.463 -2.235 -9.258 137 HB3 ALA 17 HB3 ALA 17 -4.564 -3.519 -8.414 138 H VAL 18 H VAL 18 -5.383 -1.965 -4.740 139 HA VAL 18 HA VAL 18 -3.984 0.509 -5.165 140 HB VAL 18 HB VAL 18 -3.938 -1.402 -2.797 141 HG11 VAL 18 HG11 VAL 18 -3.524 0.758 -1.529 142 HG12 VAL 18 HG12 VAL 18 -2.177 0.258 -2.581 143 HG13 VAL 18 HG13 VAL 18 -3.280 1.559 -3.092 144 HG21 VAL 18 HG21 VAL 18 -6.238 -0.545 -3.649 145 HG22 VAL 18 HG22 VAL 18 -5.834 -0.270 -1.929 146 HG23 VAL 18 HG23 VAL 18 -5.687 1.044 -3.116 147 H THR 19 H THR 19 -3.129 -2.785 -5.628 148 HA THR 19 HA THR 19 -0.557 -3.018 -4.727 149 HB THR 19 HB THR 19 -1.554 -4.027 -7.413 150 HG1 THR 19 HG1 THR 19 -2.347 -5.764 -6.153 151 HG21 THR 19 HG21 THR 19 -0.115 -5.965 -6.865 152 HG22 THR 19 HG22 THR 19 0.833 -4.461 -6.913 153 HG23 THR 19 HG23 THR 19 0.374 -5.175 -5.349 154 H LYS 20 H LYS 20 -1.578 -1.456 -7.824 155 HA LYS 20 HA LYS 20 1.071 -1.214 -8.817 156 HB2 LYS 20 HB2 LYS 20 -1.417 0.429 -9.426 157 HB3 LYS 20 HB3 LYS 20 0.089 0.443 -10.369 158 HG2 LYS 20 HG2 LYS 20 -0.162 -2.048 -10.680 159 HG3 LYS 20 HG3 LYS 20 -1.774 -1.927 -9.934 160 HD2 LYS 20 HD2 LYS 20 -2.454 -0.313 -11.693 161 HD3 LYS 20 HD3 LYS 20 -0.824 -0.406 -12.401 162 HE2 LYS 20 HE2 LYS 20 -1.163 -2.886 -12.683 163 HE3 LYS 20 HE3 LYS 20 -2.847 -2.669 -12.164 164 HZ1 LYS 20 HZ1 LYS 20 -2.648 -2.643 -14.541 165 HZ2 LYS 20 HZ2 LYS 20 -3.118 -1.149 -14.017 166 HZ3 LYS 20 HZ3 LYS 20 -1.561 -1.409 -14.486 167 H ALA 21 H ALA 21 -0.636 0.682 -6.385 168 HA ALA 21 HA ALA 21 0.886 3.090 -6.793 169 HB1 ALA 21 HB1 ALA 21 -0.563 2.050 -4.324 170 HB2 ALA 21 HB2 ALA 21 -0.016 3.721 -4.593 171 HB3 ALA 21 HB3 ALA 21 -1.291 3.028 -5.620 172 H LEU 22 H LEU 22 1.506 0.028 -5.160 173 HA LEU 22 HA LEU 22 3.671 1.124 -3.522 174 HB2 LEU 22 HB2 LEU 22 2.613 -1.670 -4.126 175 HB3 LEU 22 HB3 LEU 22 4.068 -1.388 -3.163 176 HG LEU 22 HG LEU 22 2.236 -1.714 -1.666 177 HD11 LEU 22 HD11 LEU 22 3.955 0.068 -1.152 178 HD12 LEU 22 HD12 LEU 22 2.786 1.273 -1.726 179 HD13 LEU 22 HD13 LEU 22 2.393 0.270 -0.315 180 HD21 LEU 22 HD21 LEU 22 0.403 -1.078 -3.224 181 HD22 LEU 22 HD22 LEU 22 0.245 -0.326 -1.621 182 HD23 LEU 22 HD23 LEU 22 0.832 0.636 -2.991 183 H LYS 23 H LYS 23 3.260 -0.624 -6.600 184 HA LYS 23 HA LYS 23 5.951 -1.430 -6.897 185 HB2 LYS 23 HB2 LYS 23 3.899 -2.271 -8.109 186 HB3 LYS 23 HB3 LYS 23 3.978 -0.814 -9.124 187 HG2 LYS 23 HG2 LYS 23 6.258 -1.440 -9.844 188 HG3 LYS 23 HG3 LYS 23 6.220 -2.860 -8.772 189 HD2 LYS 23 HD2 LYS 23 4.335 -3.796 -10.040 190 HD3 LYS 23 HD3 LYS 23 4.289 -2.350 -11.076 191 HE2 LYS 23 HE2 LYS 23 6.602 -2.830 -11.847 192 HE3 LYS 23 HE3 LYS 23 6.642 -4.249 -10.782 193 HZ1 LYS 23 HZ1 LYS 23 4.549 -4.879 -12.094 194 HZ2 LYS 23 HZ2 LYS 23 5.138 -3.855 -13.228 195 HZ3 LYS 23 HZ3 LYS 23 6.049 -5.146 -12.755 196 H LYS 24 H LYS 24 4.472 1.732 -7.378 197 HA LYS 24 HA LYS 24 6.420 2.627 -9.309 198 HB2 LYS 24 HB2 LYS 24 4.516 4.124 -7.470 199 HB3 LYS 24 HB3 LYS 24 5.494 4.881 -8.749 200 HG2 LYS 24 HG2 LYS 24 4.427 3.436 -10.441 201 HG3 LYS 24 HG3 LYS 24 3.446 2.665 -9.176 202 HD2 LYS 24 HD2 LYS 24 2.421 4.850 -8.635 203 HD3 LYS 24 HD3 LYS 24 3.403 5.627 -9.900 204 HE2 LYS 24 HE2 LYS 24 2.357 4.180 -11.607 205 HE3 LYS 24 HE3 LYS 24 1.394 3.379 -10.349 206 HZ1 LYS 24 HZ1 LYS 24 1.258 6.232 -11.040 207 HZ2 LYS 24 HZ2 LYS 24 0.156 5.084 -11.471 208 HZ3 LYS 24 HZ3 LYS 24 0.362 5.477 -9.883 209 H VAL 25 H VAL 25 6.570 2.103 -5.883 210 HA VAL 25 HA VAL 25 8.465 4.225 -5.332 211 HB VAL 25 HB VAL 25 7.581 1.721 -3.866 212 HG11 VAL 25 HG11 VAL 25 8.707 2.667 -1.877 213 HG12 VAL 25 HG12 VAL 25 9.871 2.288 -3.165 214 HG13 VAL 25 HG13 VAL 25 9.376 3.974 -2.881 215 HG21 VAL 25 HG21 VAL 25 7.064 4.630 -3.186 216 HG22 VAL 25 HG22 VAL 25 5.978 3.689 -4.251 217 HG23 VAL 25 HG23 VAL 25 6.234 3.194 -2.566 218 HA PRO 26 HA PRO 26 11.982 2.192 -7.156 219 HB2 PRO 26 HB2 PRO 26 13.388 3.873 -5.086 220 HB3 PRO 26 HB3 PRO 26 13.779 3.685 -6.827 221 HG2 PRO 26 HG2 PRO 26 12.508 5.912 -5.947 222 HG3 PRO 26 HG3 PRO 26 11.965 5.103 -7.457 223 HD2 PRO 26 HD2 PRO 26 10.762 4.915 -4.689 224 HD3 PRO 26 HD3 PRO 26 9.941 5.076 -6.275 225 H GLY 27 H GLY 27 13.108 0.322 -6.616 226 HA2 GLY 27 HA2 GLY 27 14.384 -1.053 -5.205 227 HA3 GLY 27 HA3 GLY 27 13.763 -0.190 -3.787 228 H VAL 28 H VAL 28 10.929 -0.489 -5.134 229 HA VAL 28 HA VAL 28 10.275 -2.952 -3.725 230 HB VAL 28 HB VAL 28 8.674 -1.020 -5.451 231 HG11 VAL 28 HG11 VAL 28 7.684 -3.265 -5.599 232 HG12 VAL 28 HG12 VAL 28 7.727 -3.414 -3.826 233 HG13 VAL 28 HG13 VAL 28 6.676 -2.203 -4.594 234 HG21 VAL 28 HG21 VAL 28 8.768 -1.552 -2.449 235 HG22 VAL 28 HG22 VAL 28 9.423 -0.121 -3.281 236 HG23 VAL 28 HG23 VAL 28 7.669 -0.412 -3.260 237 H GLU 29 H GLU 29 10.183 -4.969 -4.586 238 HA GLU 29 HA GLU 29 10.183 -5.170 -7.562 239 HB2 GLU 29 HB2 GLU 29 12.378 -5.764 -6.601 240 HB3 GLU 29 HB3 GLU 29 11.592 -6.956 -5.541 241 HG2 GLU 29 HG2 GLU 29 10.744 -8.160 -7.539 242 HG3 GLU 29 HG3 GLU 29 11.543 -6.972 -8.588 243 H LYS 30 H LYS 30 8.942 -6.314 -4.442 244 HA LYS 30 HA LYS 30 6.882 -7.830 -5.960 245 HB2 LYS 30 HB2 LYS 30 8.326 -8.693 -3.430 246 HB3 LYS 30 HB3 LYS 30 6.933 -9.525 -4.149 247 HG2 LYS 30 HG2 LYS 30 8.239 -9.898 -6.228 248 HG3 LYS 30 HG3 LYS 30 9.640 -9.087 -5.485 249 HD2 LYS 30 HD2 LYS 30 9.653 -10.770 -3.672 250 HD3 LYS 30 HD3 LYS 30 8.252 -11.579 -4.411 251 HE2 LYS 30 HE2 LYS 30 9.594 -11.967 -6.471 252 HE3 LYS 30 HE3 LYS 30 10.996 -11.213 -5.683 253 HZ1 LYS 30 HZ1 LYS 30 10.880 -12.924 -4.008 254 HZ2 LYS 30 HZ2 LYS 30 9.585 -13.618 -4.751 255 HZ3 LYS 30 HZ3 LYS 30 11.051 -13.594 -5.503 256 H VAL 31 H VAL 31 4.813 -7.890 -4.982 257 HA VAL 31 HA VAL 31 4.389 -6.307 -2.534 258 HB VAL 31 HB VAL 31 3.019 -5.721 -5.196 259 HG11 VAL 31 HG11 VAL 31 2.694 -4.470 -2.435 260 HG12 VAL 31 HG12 VAL 31 1.927 -3.886 -3.930 261 HG13 VAL 31 HG13 VAL 31 1.494 -5.479 -3.276 262 HG21 VAL 31 HG21 VAL 31 4.070 -3.486 -4.967 263 HG22 VAL 31 HG22 VAL 31 4.937 -4.049 -3.519 264 HG23 VAL 31 HG23 VAL 31 5.289 -4.768 -5.109 265 H GLU 32 H GLU 32 2.416 -6.881 -1.488 266 HA GLU 32 HA GLU 32 0.701 -8.897 -2.781 267 HB2 GLU 32 HB2 GLU 32 2.456 -10.206 -1.630 268 HB3 GLU 32 HB3 GLU 32 2.124 -9.330 -0.118 269 HG2 GLU 32 HG2 GLU 32 -0.200 -10.178 -0.136 270 HG3 GLU 32 HG3 GLU 32 0.120 -11.036 -1.657 271 H VAL 33 H VAL 33 -1.406 -8.345 -2.354 272 HA VAL 33 HA VAL 33 -1.889 -6.780 0.128 273 HB VAL 33 HB VAL 33 -3.359 -5.280 -1.081 274 HG11 VAL 33 HG11 VAL 33 -0.711 -5.555 -2.567 275 HG12 VAL 33 HG12 VAL 33 -1.720 -4.095 -2.467 276 HG13 VAL 33 HG13 VAL 33 -0.926 -4.729 -1.008 277 HG21 VAL 33 HG21 VAL 33 -2.569 -6.848 -3.572 278 HG22 VAL 33 HG22 VAL 33 -4.173 -6.860 -2.797 279 HG23 VAL 33 HG23 VAL 33 -3.554 -5.367 -3.535 280 H SER 34 H SER 34 -4.077 -6.883 0.926 281 HA SER 34 HA SER 34 -5.676 -9.130 -0.181 282 HB2 SER 34 HB2 SER 34 -4.474 -9.940 1.808 283 HB3 SER 34 HB3 SER 34 -5.123 -8.584 2.762 284 HG SER 34 HG SER 34 -6.327 -10.599 2.894 285 H LEU 35 H LEU 35 -7.308 -8.003 -1.105 286 HA LEU 35 HA LEU 35 -8.172 -5.446 -0.230 287 HB2 LEU 35 HB2 LEU 35 -9.616 -7.544 -1.895 288 HB3 LEU 35 HB3 LEU 35 -10.042 -5.824 -1.804 289 HG LEU 35 HG LEU 35 -7.370 -6.918 -2.793 290 HD11 LEU 35 HD11 LEU 35 -8.179 -6.223 -5.020 291 HD12 LEU 35 HD12 LEU 35 -9.238 -7.462 -4.309 292 HD13 LEU 35 HD13 LEU 35 -9.743 -5.756 -4.309 293 HD21 LEU 35 HD21 LEU 35 -7.037 -4.585 -3.591 294 HD22 LEU 35 HD22 LEU 35 -8.558 -4.108 -2.805 295 HD23 LEU 35 HD23 LEU 35 -7.180 -4.658 -1.822 296 H GLU 36 H GLU 36 -8.899 -8.636 0.987 297 HA GLU 36 HA GLU 36 -11.481 -7.897 2.126 298 HB2 GLU 36 HB2 GLU 36 -9.566 -10.222 2.582 299 HB3 GLU 36 HB3 GLU 36 -11.150 -10.061 3.373 300 HG2 GLU 36 HG2 GLU 36 -12.254 -9.989 1.163 301 HG3 GLU 36 HG3 GLU 36 -10.678 -10.178 0.368 302 H LYS 37 H LYS 37 -8.067 -7.790 3.072 303 HA LYS 37 HA LYS 37 -8.853 -7.135 5.856 304 HB2 LYS 37 HB2 LYS 37 -6.122 -7.700 4.638 305 HB3 LYS 37 HB3 LYS 37 -6.488 -7.505 6.367 306 HG2 LYS 37 HG2 LYS 37 -8.010 -9.466 6.257 307 HG3 LYS 37 HG3 LYS 37 -7.620 -9.665 4.535 308 HD2 LYS 37 HD2 LYS 37 -5.219 -9.974 5.136 309 HD3 LYS 37 HD3 LYS 37 -5.659 -9.860 6.859 310 HE2 LYS 37 HE2 LYS 37 -7.211 -11.799 6.560 311 HE3 LYS 37 HE3 LYS 37 -6.721 -11.891 4.859 312 HZ1 LYS 37 HZ1 LYS 37 -5.295 -12.713 7.207 313 HZ2 LYS 37 HZ2 LYS 37 -5.310 -13.349 5.705 314 HZ3 LYS 37 HZ3 LYS 37 -4.378 -12.023 6.005 315 H GLY 38 H GLY 38 -8.052 -5.621 2.892 316 HA2 GLY 38 HA2 GLY 38 -7.654 -3.424 2.366 317 HA3 GLY 38 HA3 GLY 38 -8.058 -2.998 4.045 318 H GLU 39 H GLU 39 -5.583 -5.411 3.508 319 HA GLU 39 HA GLU 39 -3.568 -3.485 4.528 320 HB2 GLU 39 HB2 GLU 39 -3.634 -6.529 4.478 321 HB3 GLU 39 HB3 GLU 39 -2.298 -5.544 5.110 322 HG2 GLU 39 HG2 GLU 39 -3.873 -4.485 6.724 323 HG3 GLU 39 HG3 GLU 39 -5.162 -5.556 6.137 324 H ALA 40 H ALA 40 -1.409 -3.574 3.684 325 HA ALA 40 HA ALA 40 -1.067 -4.789 1.005 326 HB1 ALA 40 HB1 ALA 40 -1.282 -1.898 1.664 327 HB2 ALA 40 HB2 ALA 40 0.140 -2.350 0.668 328 HB3 ALA 40 HB3 ALA 40 -1.511 -2.730 0.128 329 H LEU 41 H LEU 41 0.631 -6.083 1.329 330 HA LEU 41 HA LEU 41 2.825 -5.202 3.136 331 HB2 LEU 41 HB2 LEU 41 2.151 -7.914 1.897 332 HB3 LEU 41 HB3 LEU 41 3.546 -7.575 2.925 333 HG LEU 41 HG LEU 41 1.976 -8.602 4.316 334 HD11 LEU 41 HD11 LEU 41 2.022 -7.133 6.044 335 HD12 LEU 41 HD12 LEU 41 2.980 -6.179 4.923 336 HD13 LEU 41 HD13 LEU 41 1.245 -5.818 5.097 337 HD21 LEU 41 HD21 LEU 41 -0.344 -7.955 4.591 338 HD22 LEU 41 HD22 LEU 41 -0.162 -6.627 3.430 339 HD23 LEU 41 HD23 LEU 41 -0.027 -8.315 2.878 340 H VAL 42 H VAL 42 5.013 -5.312 2.347 341 HA VAL 42 HA VAL 42 5.248 -5.682 -0.592 342 HB VAL 42 HB VAL 42 6.760 -3.783 -0.751 343 HG11 VAL 42 HG11 VAL 42 5.118 -2.075 -0.754 344 HG12 VAL 42 HG12 VAL 42 4.231 -3.580 -1.021 345 HG13 VAL 42 HG13 VAL 42 4.209 -2.828 0.590 346 HG21 VAL 42 HG21 VAL 42 6.028 -3.210 2.151 347 HG22 VAL 42 HG22 VAL 42 7.607 -3.795 1.579 348 HG23 VAL 42 HG23 VAL 42 7.031 -2.191 1.090 349 H GLU 43 H GLU 43 7.501 -6.103 -1.276 350 HA GLU 43 HA GLU 43 9.284 -7.030 0.878 351 HB2 GLU 43 HB2 GLU 43 7.850 -8.947 0.236 352 HB3 GLU 43 HB3 GLU 43 8.399 -8.790 -1.440 353 HG2 GLU 43 HG2 GLU 43 10.710 -9.252 -0.753 354 HG3 GLU 43 HG3 GLU 43 10.216 -9.279 0.954 355 H GLY 44 H GLY 44 10.559 -5.216 0.329 356 HA2 GLY 44 HA2 GLY 44 12.258 -5.594 -2.013 357 HA3 GLY 44 HA3 GLY 44 11.230 -4.145 -2.067 358 H THR 45 H THR 45 13.613 -3.289 -2.124 359 HA THR 45 HA THR 45 14.608 -2.934 0.659 360 HB THR 45 HB THR 45 16.783 -2.452 -0.441 361 HG1 THR 45 HG1 THR 45 16.519 -1.863 -2.446 362 HG21 THR 45 HG21 THR 45 15.493 -5.066 -1.338 363 HG22 THR 45 HG22 THR 45 17.237 -4.755 -1.179 364 HG23 THR 45 HG23 THR 45 16.200 -4.760 0.267 365 H ALA 46 H ALA 46 12.383 -1.402 -0.652 366 HA ALA 46 HA ALA 46 13.490 1.180 -1.385 367 HB1 ALA 46 HB1 ALA 46 11.121 1.867 -1.366 368 HB2 ALA 46 HB2 ALA 46 11.316 0.326 -2.236 369 HB3 ALA 46 HB3 ALA 46 10.671 0.337 -0.578 370 H ASP 47 H ASP 47 12.758 3.198 -0.148 371 HA ASP 47 HA ASP 47 13.538 2.901 2.633 372 HB2 ASP 47 HB2 ASP 47 14.117 4.842 1.080 373 HB3 ASP 47 HB3 ASP 47 12.439 5.387 1.284 374 HA PRO 48 HA PRO 48 9.516 2.223 4.306 375 HB2 PRO 48 HB2 PRO 48 10.579 3.959 6.531 376 HB3 PRO 48 HB3 PRO 48 9.732 2.380 6.651 377 HG2 PRO 48 HG2 PRO 48 12.421 2.494 6.936 378 HG3 PRO 48 HG3 PRO 48 11.683 1.203 5.926 379 HD2 PRO 48 HD2 PRO 48 12.981 3.777 5.022 380 HD3 PRO 48 HD3 PRO 48 13.135 2.126 4.341 381 H LYS 49 H LYS 49 10.936 5.531 4.347 382 HA LYS 49 HA LYS 49 8.372 6.813 4.797 383 HB2 LYS 49 HB2 LYS 49 11.038 7.905 3.802 384 HB3 LYS 49 HB3 LYS 49 9.645 8.878 4.320 385 HG2 LYS 49 HG2 LYS 49 9.771 7.830 6.576 386 HG3 LYS 49 HG3 LYS 49 11.212 6.923 6.056 387 HD2 LYS 49 HD2 LYS 49 12.381 9.058 5.583 388 HD3 LYS 49 HD3 LYS 49 10.936 9.958 6.100 389 HE2 LYS 49 HE2 LYS 49 11.107 8.888 8.346 390 HE3 LYS 49 HE3 LYS 49 12.593 8.069 7.823 391 HZ1 LYS 49 HZ1 LYS 49 13.566 10.226 7.464 392 HZ2 LYS 49 HZ2 LYS 49 12.186 10.975 7.968 393 HZ3 LYS 49 HZ3 LYS 49 13.066 10.064 9.027 394 H ALA 50 H ALA 50 10.351 5.903 1.973 395 HA ALA 50 HA ALA 50 8.929 7.551 0.107 396 HB1 ALA 50 HB1 ALA 50 11.188 6.652 -0.317 397 HB2 ALA 50 HB2 ALA 50 10.537 4.994 -0.303 398 HB3 ALA 50 HB3 ALA 50 10.047 6.132 -1.579 399 H LEU 51 H LEU 51 8.453 4.262 1.397 400 HA LEU 51 HA LEU 51 6.614 3.412 -0.585 401 HB2 LEU 51 HB2 LEU 51 7.865 2.059 1.253 402 HB3 LEU 51 HB3 LEU 51 6.520 2.539 2.311 403 HG LEU 51 HG LEU 51 4.983 1.662 0.408 404 HD11 LEU 51 HD11 LEU 51 6.036 -0.101 -1.005 405 HD12 LEU 51 HD12 LEU 51 6.740 1.495 -1.330 406 HD13 LEU 51 HD13 LEU 51 7.625 0.321 -0.331 407 HD21 LEU 51 HD21 LEU 51 5.378 0.551 2.609 408 HD22 LEU 51 HD22 LEU 51 5.087 -0.609 1.285 409 HD23 LEU 51 HD23 LEU 51 6.740 -0.325 1.887 410 H VAL 52 H VAL 52 6.022 4.677 2.746 411 HA VAL 52 HA VAL 52 3.183 4.702 2.432 412 HB VAL 52 HB VAL 52 4.985 6.222 4.360 413 HG11 VAL 52 HG11 VAL 52 2.033 5.468 4.506 414 HG12 VAL 52 HG12 VAL 52 2.975 6.202 5.825 415 HG13 VAL 52 HG13 VAL 52 2.687 7.114 4.327 416 HG21 VAL 52 HG21 VAL 52 4.518 4.323 5.882 417 HG22 VAL 52 HG22 VAL 52 3.612 3.508 4.585 418 HG23 VAL 52 HG23 VAL 52 5.364 3.780 4.417 419 H GLN 53 H GLN 53 5.721 6.965 1.481 420 HA GLN 53 HA GLN 53 3.974 9.263 1.389 421 HB2 GLN 53 HB2 GLN 53 6.436 9.399 1.622 422 HB3 GLN 53 HB3 GLN 53 6.627 8.704 -0.003 423 HG2 GLN 53 HG2 GLN 53 5.418 10.622 -0.971 424 HG3 GLN 53 HG3 GLN 53 5.164 11.296 0.651 425 HE21 GLN 53 HE21 GLN 53 8.184 12.863 -1.069 426 HE22 GLN 53 HE22 GLN 53 6.527 12.595 -1.567 427 H ALA 54 H ALA 54 5.024 6.747 -0.942 428 HA ALA 54 HA ALA 54 4.000 7.993 -3.266 429 HB1 ALA 54 HB1 ALA 54 4.066 5.711 -4.216 430 HB2 ALA 54 HB2 ALA 54 5.543 6.090 -3.300 431 HB3 ALA 54 HB3 ALA 54 4.294 5.043 -2.582 432 H VAL 55 H VAL 55 2.463 5.639 -0.986 433 HA VAL 55 HA VAL 55 0.002 5.622 -2.505 434 HB VAL 55 HB VAL 55 -0.863 4.400 -0.516 435 HG11 VAL 55 HG11 VAL 55 0.659 2.466 -0.736 436 HG12 VAL 55 HG12 VAL 55 0.351 3.220 -2.317 437 HG13 VAL 55 HG13 VAL 55 1.891 3.514 -1.475 438 HG21 VAL 55 HG21 VAL 55 0.691 3.839 1.319 439 HG22 VAL 55 HG22 VAL 55 1.921 4.908 0.613 440 HG23 VAL 55 HG23 VAL 55 0.402 5.590 1.242 441 H GLU 56 H GLU 56 1.329 7.660 0.053 442 HA GLU 56 HA GLU 56 -1.243 8.764 0.796 443 HB2 GLU 56 HB2 GLU 56 0.731 8.749 2.293 444 HB3 GLU 56 HB3 GLU 56 1.592 9.821 1.167 445 HG2 GLU 56 HG2 GLU 56 -0.112 11.566 1.504 446 HG3 GLU 56 HG3 GLU 56 -1.035 10.480 2.562 447 H GLU 57 H GLU 57 1.126 9.256 -1.741 448 HA GLU 57 HA GLU 57 0.306 11.901 -2.514 449 HB2 GLU 57 HB2 GLU 57 2.475 10.819 -3.107 450 HB3 GLU 57 HB3 GLU 57 1.596 9.673 -4.138 451 HG2 GLU 57 HG2 GLU 57 0.766 11.531 -5.524 452 HG3 GLU 57 HG3 GLU 57 1.597 12.698 -4.471 453 H GLU 58 H GLU 58 -0.950 8.650 -2.984 454 HA GLU 58 HA GLU 58 -2.681 9.383 -5.223 455 HB2 GLU 58 HB2 GLU 58 -2.643 6.982 -3.342 456 HB3 GLU 58 HB3 GLU 58 -3.673 7.132 -4.777 457 HG2 GLU 58 HG2 GLU 58 -0.621 7.181 -4.778 458 HG3 GLU 58 HG3 GLU 58 -1.618 5.798 -5.201 459 H GLY 59 H GLY 59 -2.635 9.925 -1.856 460 HA2 GLY 59 HA2 GLY 59 -4.240 11.282 -0.759 461 HA3 GLY 59 HA3 GLY 59 -5.470 10.784 -1.937 462 H TYR 60 H TYR 60 -3.620 8.103 -0.957 463 HA TYR 60 HA TYR 60 -5.743 7.299 0.979 464 HB2 TYR 60 HB2 TYR 60 -4.133 5.736 -1.068 465 HB3 TYR 60 HB3 TYR 60 -5.090 4.977 0.206 466 HD1 TYR 60 HD1 TYR 60 -5.233 6.846 -2.960 467 HD2 TYR 60 HD2 TYR 60 -7.506 4.968 0.167 468 HE1 TYR 60 HE1 TYR 60 -7.250 6.907 -4.398 469 HE2 TYR 60 HE2 TYR 60 -9.522 4.991 -1.274 470 HH TYR 60 HH TYR 60 -10.412 5.623 -3.290 471 H LYS 61 H LYS 61 -4.752 7.813 2.942 472 HA LYS 61 HA LYS 61 -1.965 7.405 3.449 473 HB2 LYS 61 HB2 LYS 61 -4.401 7.482 5.280 474 HB3 LYS 61 HB3 LYS 61 -2.731 7.362 5.867 475 HG2 LYS 61 HG2 LYS 61 -2.170 9.483 4.709 476 HG3 LYS 61 HG3 LYS 61 -3.871 9.643 4.199 477 HD2 LYS 61 HD2 LYS 61 -4.603 9.683 6.535 478 HD3 LYS 61 HD3 LYS 61 -2.947 9.351 7.089 479 HE2 LYS 61 HE2 LYS 61 -2.183 11.489 6.117 480 HE3 LYS 61 HE3 LYS 61 -3.837 11.834 5.570 481 HZ1 LYS 61 HZ1 LYS 61 -3.328 12.907 7.647 482 HZ2 LYS 61 HZ2 LYS 61 -4.535 11.805 7.848 483 HZ3 LYS 61 HZ3 LYS 61 -3.009 11.456 8.364 484 H ALA 62 H ALA 62 -1.012 5.736 4.801 485 HA ALA 62 HA ALA 62 -2.506 3.256 5.170 486 HB1 ALA 62 HB1 ALA 62 -1.748 3.119 2.810 487 HB2 ALA 62 HB2 ALA 62 -0.070 3.378 3.346 488 HB3 ALA 62 HB3 ALA 62 -0.954 1.914 3.845 489 H GLU 63 H GLU 63 -2.040 3.965 7.369 490 HA GLU 63 HA GLU 63 0.761 4.152 8.189 491 HB2 GLU 63 HB2 GLU 63 -1.857 4.092 9.742 492 HB3 GLU 63 HB3 GLU 63 -0.247 4.287 10.483 493 HG2 GLU 63 HG2 GLU 63 0.170 6.267 9.052 494 HG3 GLU 63 HG3 GLU 63 -1.446 6.098 8.343 495 H VAL 64 H VAL 64 1.978 2.609 9.212 496 HA VAL 64 HA VAL 64 1.492 -0.087 8.565 497 HB VAL 64 HB VAL 64 3.397 -0.547 10.091 498 HG11 VAL 64 HG11 VAL 64 3.764 0.218 7.772 499 HG12 VAL 64 HG12 VAL 64 3.727 1.911 8.320 500 HG13 VAL 64 HG13 VAL 64 5.030 0.831 8.862 501 HG21 VAL 64 HG21 VAL 64 3.190 2.431 10.723 502 HG22 VAL 64 HG22 VAL 64 2.889 1.097 11.863 503 HG23 VAL 64 HG23 VAL 64 4.520 1.355 11.208 504 H LEU 65 H LEU 65 0.613 -1.799 9.611 505 HA LEU 65 HA LEU 65 -1.110 -1.210 11.917 506 HB2 LEU 65 HB2 LEU 65 -0.673 -3.685 10.203 507 HB3 LEU 65 HB3 LEU 65 -1.792 -3.620 11.581 508 HG LEU 65 HG LEU 65 -1.924 -1.781 9.148 509 HD11 LEU 65 HD11 LEU 65 -3.616 -4.174 9.990 510 HD12 LEU 65 HD12 LEU 65 -3.941 -3.110 8.600 511 HD13 LEU 65 HD13 LEU 65 -2.484 -4.128 8.619 512 HD21 LEU 65 HD21 LEU 65 -3.193 -1.785 11.811 513 HD22 LEU 65 HD22 LEU 65 -3.151 -0.519 10.581 514 HD23 LEU 65 HD23 LEU 65 -4.380 -1.798 10.471 515 H ALA 66 H ALA 66 0.744 -0.698 13.341 516 HA ALA 66 HA ALA 66 1.710 -3.178 14.635 517 HB1 ALA 66 HB1 ALA 66 3.535 -2.406 13.156 518 HB2 ALA 66 HB2 ALA 66 3.460 -0.793 13.905 519 HB3 ALA 66 HB3 ALA 66 3.965 -2.200 14.870 Start of MODEL 14 1 H1 MET 1 H MET 1 10.664 -3.029 9.627 2 HA MET 1 HA MET 1 9.561 -3.552 7.507 3 HB2 MET 1 HB2 MET 1 9.483 -5.177 9.403 4 HB3 MET 1 HB3 MET 1 7.919 -4.488 9.892 5 HG2 MET 1 HG2 MET 1 6.971 -5.073 7.705 6 HG3 MET 1 HG3 MET 1 8.536 -5.690 7.160 7 HE1 MET 1 HE1 MET 1 8.534 -8.051 6.702 8 HE2 MET 1 HE2 MET 1 9.684 -7.858 8.045 9 HE3 MET 1 HE3 MET 1 8.559 -9.237 8.029 10 H LEU 2 H LEU 2 7.647 -3.421 6.189 11 HA LEU 2 HA LEU 2 5.819 -1.247 7.095 12 HB2 LEU 2 HB2 LEU 2 6.529 -2.019 4.245 13 HB3 LEU 2 HB3 LEU 2 5.654 -0.574 4.787 14 HG LEU 2 HG LEU 2 8.561 -1.268 5.415 15 HD11 LEU 2 HD11 LEU 2 7.365 0.887 3.636 16 HD12 LEU 2 HD12 LEU 2 9.094 0.656 3.983 17 HD13 LEU 2 HD13 LEU 2 8.199 -0.586 3.080 18 HD21 LEU 2 HD21 LEU 2 6.958 1.231 6.095 19 HD22 LEU 2 HD22 LEU 2 7.524 0.014 7.256 20 HD23 LEU 2 HD23 LEU 2 8.698 1.001 6.365 21 H LYS 3 H LYS 3 3.583 -1.510 6.784 22 HA LYS 3 HA LYS 3 2.532 -4.023 5.713 23 HB2 LYS 3 HB2 LYS 3 3.595 -4.442 8.014 24 HB3 LYS 3 HB3 LYS 3 2.305 -3.443 8.697 25 HG2 LYS 3 HG2 LYS 3 0.617 -5.024 7.899 26 HG3 LYS 3 HG3 LYS 3 1.852 -5.898 6.954 27 HD2 LYS 3 HD2 LYS 3 3.087 -6.368 9.084 28 HD3 LYS 3 HD3 LYS 3 1.721 -5.678 9.988 29 HE2 LYS 3 HE2 LYS 3 0.216 -7.351 9.007 30 HE3 LYS 3 HE3 LYS 3 1.542 -8.015 8.031 31 HZ1 LYS 3 HZ1 LYS 3 1.634 -7.886 10.956 32 HZ2 LYS 3 HZ2 LYS 3 1.042 -9.199 10.136 33 HZ3 LYS 3 HZ3 LYS 3 2.616 -8.732 9.952 34 H LEU 4 H LEU 4 1.263 -2.451 4.395 35 HA LEU 4 HA LEU 4 0.200 -0.132 5.812 36 HB2 LEU 4 HB2 LEU 4 0.487 -1.112 2.984 37 HB3 LEU 4 HB3 LEU 4 -0.794 0.065 3.330 38 HG LEU 4 HG LEU 4 0.878 1.565 4.407 39 HD11 LEU 4 HD11 LEU 4 2.853 -0.502 3.347 40 HD12 LEU 4 HD12 LEU 4 3.282 1.103 3.981 41 HD13 LEU 4 HD13 LEU 4 2.556 -0.108 5.058 42 HD21 LEU 4 HD21 LEU 4 0.247 1.820 2.026 43 HD22 LEU 4 HD22 LEU 4 1.948 2.266 2.292 44 HD23 LEU 4 HD23 LEU 4 1.544 0.694 1.561 45 H LYS 5 H LYS 5 -1.727 0.033 6.700 46 HA LYS 5 HA LYS 5 -3.891 -1.811 5.839 47 HB2 LYS 5 HB2 LYS 5 -3.333 -1.712 8.294 48 HB3 LYS 5 HB3 LYS 5 -3.744 0.018 8.264 49 HG2 LYS 5 HG2 LYS 5 -6.009 -0.696 7.279 50 HG3 LYS 5 HG3 LYS 5 -5.571 -2.358 7.735 51 HD2 LYS 5 HD2 LYS 5 -5.286 -1.609 10.091 52 HD3 LYS 5 HD3 LYS 5 -5.719 0.049 9.608 53 HE2 LYS 5 HE2 LYS 5 -7.937 -0.790 8.809 54 HE3 LYS 5 HE3 LYS 5 -7.474 -2.417 9.343 55 HZ1 LYS 5 HZ1 LYS 5 -7.077 -1.151 11.557 56 HZ2 LYS 5 HZ2 LYS 5 -8.152 -0.098 10.929 57 HZ3 LYS 5 HZ3 LYS 5 -8.603 -1.667 11.132 58 H VAL 6 H VAL 6 -4.408 -0.778 3.895 59 HA VAL 6 HA VAL 6 -4.509 2.037 3.564 60 HB VAL 6 HB VAL 6 -5.936 -0.133 1.978 61 HG11 VAL 6 HG11 VAL 6 -4.950 2.660 1.247 62 HG12 VAL 6 HG12 VAL 6 -5.709 1.503 0.130 63 HG13 VAL 6 HG13 VAL 6 -6.651 2.191 1.473 64 HG21 VAL 6 HG21 VAL 6 -3.528 -0.635 2.210 65 HG22 VAL 6 HG22 VAL 6 -3.902 -0.100 0.558 66 HG23 VAL 6 HG23 VAL 6 -3.129 1.024 1.699 67 H GLU 7 H GLU 7 -5.863 3.414 4.471 68 HA GLU 7 HA GLU 7 -8.314 2.622 5.743 69 HB2 GLU 7 HB2 GLU 7 -6.792 4.509 6.432 70 HB3 GLU 7 HB3 GLU 7 -7.303 5.396 4.986 71 HG2 GLU 7 HG2 GLU 7 -8.597 6.128 6.925 72 HG3 GLU 7 HG3 GLU 7 -9.660 5.292 5.781 73 H GLY 8 H GLY 8 -10.466 3.132 5.129 74 HA2 GLY 8 HA2 GLY 8 -10.879 3.304 2.216 75 HA3 GLY 8 HA3 GLY 8 -12.092 2.916 3.456 76 H MET 9 H MET 9 -9.860 5.666 2.688 77 HA MET 9 HA MET 9 -11.564 7.609 3.905 78 HB2 MET 9 HB2 MET 9 -9.340 7.902 1.845 79 HB3 MET 9 HB3 MET 9 -10.050 9.227 2.793 80 HG2 MET 9 HG2 MET 9 -9.355 8.098 4.884 81 HG3 MET 9 HG3 MET 9 -8.655 6.782 3.936 82 HE1 MET 9 HE1 MET 9 -7.026 11.107 4.170 83 HE2 MET 9 HE2 MET 9 -8.558 10.713 3.357 84 HE3 MET 9 HE3 MET 9 -8.392 10.467 5.112 85 H THR 10 H THR 10 -11.255 6.390 0.542 86 HA THR 10 HA THR 10 -13.751 7.860 -0.084 87 HB THR 10 HB THR 10 -12.784 8.432 -2.322 88 HG1 THR 10 HG1 THR 10 -10.463 8.386 -2.397 89 HG21 THR 10 HG21 THR 10 -12.866 10.096 -0.477 90 HG22 THR 10 HG22 THR 10 -11.249 9.569 0.052 91 HG23 THR 10 HG23 THR 10 -11.459 10.339 -1.537 92 H CYS 11 H CYS 11 -14.736 7.029 -2.144 93 HA CYS 11 HA CYS 11 -15.742 5.255 -3.161 94 HB2 CYS 11 HB2 CYS 11 -12.834 4.444 -3.514 95 HB3 CYS 11 HB3 CYS 11 -14.205 3.902 -4.512 96 HG CYS 11 HG CYS 11 -14.956 6.276 -5.265 97 H ASN 12 H ASN 12 -15.512 4.938 -0.279 98 HA ASN 12 HA ASN 12 -14.521 2.366 0.399 99 HB2 ASN 12 HB2 ASN 12 -15.714 2.719 2.498 100 HB3 ASN 12 HB3 ASN 12 -14.893 4.210 2.001 101 HD21 ASN 12 HD21 ASN 12 -18.834 4.288 2.748 102 HD22 ASN 12 HD22 ASN 12 -17.735 3.026 3.261 103 H HIS 13 H HIS 13 -17.371 3.226 -1.370 104 HA HIS 13 HA HIS 13 -18.780 0.761 -0.536 105 HB2 HIS 13 HB2 HIS 13 -19.487 3.010 -2.447 106 HB3 HIS 13 HB3 HIS 13 -20.473 1.558 -2.223 107 HD1 HIS 13 HD1 HIS 13 -22.034 1.491 -0.106 108 HD2 HIS 13 HD2 HIS 13 -19.310 4.700 -0.246 109 HE1 HIS 13 HE1 HIS 13 -22.686 3.094 1.773 110 H CYS 14 H CYS 14 -16.315 1.660 -2.655 111 HA CYS 14 HA CYS 14 -16.854 -0.712 -4.361 112 HB2 CYS 14 HB2 CYS 14 -15.702 1.969 -5.225 113 HB3 CYS 14 HB3 CYS 14 -15.867 0.530 -6.260 114 HG CYS 14 HG CYS 14 -18.140 0.737 -6.838 115 H VAL 15 H VAL 15 -14.464 -0.836 -5.717 116 HA VAL 15 HA VAL 15 -12.356 -0.691 -3.641 117 HB VAL 15 HB VAL 15 -13.343 -2.953 -3.571 118 HG11 VAL 15 HG11 VAL 15 -12.446 -3.136 -6.479 119 HG12 VAL 15 HG12 VAL 15 -13.105 -4.466 -5.499 120 HG13 VAL 15 HG13 VAL 15 -14.133 -3.079 -5.917 121 HG21 VAL 15 HG21 VAL 15 -10.601 -2.995 -4.886 122 HG22 VAL 15 HG22 VAL 15 -10.889 -2.542 -3.183 123 HG23 VAL 15 HG23 VAL 15 -11.278 -4.180 -3.755 124 H MET 16 H MET 16 -10.202 -0.604 -4.525 125 HA MET 16 HA MET 16 -10.012 -0.242 -7.458 126 HB2 MET 16 HB2 MET 16 -9.230 1.762 -5.321 127 HB3 MET 16 HB3 MET 16 -8.628 1.844 -6.988 128 HG2 MET 16 HG2 MET 16 -11.577 1.561 -6.689 129 HG3 MET 16 HG3 MET 16 -10.896 3.068 -6.082 130 HE1 MET 16 HE1 MET 16 -9.342 4.805 -9.119 131 HE2 MET 16 HE2 MET 16 -9.913 4.964 -7.441 132 HE3 MET 16 HE3 MET 16 -8.562 3.870 -7.820 133 H ALA 17 H ALA 17 -7.756 -0.263 -8.200 134 HA ALA 17 HA ALA 17 -6.262 -2.318 -6.793 135 HB1 ALA 17 HB1 ALA 17 -6.528 -2.299 -9.251 136 HB2 ALA 17 HB2 ALA 17 -5.665 -0.744 -9.331 137 HB3 ALA 17 HB3 ALA 17 -4.812 -2.208 -8.784 138 H VAL 18 H VAL 18 -5.022 -1.761 -5.058 139 HA VAL 18 HA VAL 18 -3.622 0.838 -5.053 140 HB VAL 18 HB VAL 18 -3.621 -1.423 -3.037 141 HG11 VAL 18 HG11 VAL 18 -1.923 0.709 -3.088 142 HG12 VAL 18 HG12 VAL 18 -3.261 1.398 -2.176 143 HG13 VAL 18 HG13 VAL 18 -2.482 -0.084 -1.583 144 HG21 VAL 18 HG21 VAL 18 -5.930 -0.390 -3.564 145 HG22 VAL 18 HG22 VAL 18 -5.407 -0.405 -1.855 146 HG23 VAL 18 HG23 VAL 18 -5.297 1.082 -2.821 147 H THR 19 H THR 19 -3.106 -2.507 -5.890 148 HA THR 19 HA THR 19 -0.490 -2.937 -5.186 149 HB THR 19 HB THR 19 -1.828 -3.806 -7.776 150 HG1 THR 19 HG1 THR 19 -2.392 -5.613 -6.379 151 HG21 THR 19 HG21 THR 19 -0.386 -5.800 -7.509 152 HG22 THR 19 HG22 THR 19 0.589 -4.321 -7.650 153 HG23 THR 19 HG23 THR 19 0.346 -5.079 -6.057 154 H LYS 20 H LYS 20 -1.620 -1.247 -8.178 155 HA LYS 20 HA LYS 20 1.003 -1.012 -9.292 156 HB2 LYS 20 HB2 LYS 20 -1.539 0.617 -9.691 157 HB3 LYS 20 HB3 LYS 20 -0.072 0.788 -10.678 158 HG2 LYS 20 HG2 LYS 20 -0.215 -1.579 -11.343 159 HG3 LYS 20 HG3 LYS 20 -1.687 -1.778 -10.362 160 HD2 LYS 20 HD2 LYS 20 -2.856 -0.105 -11.717 161 HD3 LYS 20 HD3 LYS 20 -1.373 0.218 -12.645 162 HE2 LYS 20 HE2 LYS 20 -1.356 -2.087 -13.481 163 HE3 LYS 20 HE3 LYS 20 -2.795 -2.472 -12.515 164 HZ1 LYS 20 HZ1 LYS 20 -3.291 -1.964 -14.821 165 HZ2 LYS 20 HZ2 LYS 20 -4.033 -0.919 -13.786 166 HZ3 LYS 20 HZ3 LYS 20 -2.702 -0.437 -14.631 167 H ALA 21 H ALA 21 -0.600 0.735 -6.703 168 HA ALA 21 HA ALA 21 0.924 3.162 -7.058 169 HB1 ALA 21 HB1 ALA 21 -0.500 2.080 -4.595 170 HB2 ALA 21 HB2 ALA 21 0.006 3.759 -4.878 171 HB3 ALA 21 HB3 ALA 21 -1.269 3.032 -5.886 172 H LEU 22 H LEU 22 1.473 0.061 -5.418 173 HA LEU 22 HA LEU 22 3.621 1.120 -3.755 174 HB2 LEU 22 HB2 LEU 22 2.425 -1.616 -4.286 175 HB3 LEU 22 HB3 LEU 22 3.921 -1.425 -3.367 176 HG LEU 22 HG LEU 22 2.083 -1.594 -1.831 177 HD11 LEU 22 HD11 LEU 22 3.986 0.002 -1.363 178 HD12 LEU 22 HD12 LEU 22 2.924 1.321 -1.896 179 HD13 LEU 22 HD13 LEU 22 2.477 0.347 -0.481 180 HD21 LEU 22 HD21 LEU 22 0.914 0.891 -3.146 181 HD22 LEU 22 HD22 LEU 22 0.283 -0.765 -3.328 182 HD23 LEU 22 HD23 LEU 22 0.262 0.027 -1.737 183 H LYS 23 H LYS 23 3.340 -0.639 -6.837 184 HA LYS 23 HA LYS 23 5.935 -1.701 -6.893 185 HB2 LYS 23 HB2 LYS 23 3.911 -2.244 -8.332 186 HB3 LYS 23 HB3 LYS 23 4.323 -0.819 -9.310 187 HG2 LYS 23 HG2 LYS 23 6.574 -1.796 -9.740 188 HG3 LYS 23 HG3 LYS 23 6.143 -3.207 -8.751 189 HD2 LYS 23 HD2 LYS 23 4.267 -3.704 -10.311 190 HD3 LYS 23 HD3 LYS 23 4.741 -2.303 -11.304 191 HE2 LYS 23 HE2 LYS 23 6.986 -3.323 -11.630 192 HE3 LYS 23 HE3 LYS 23 6.471 -4.735 -10.685 193 HZ1 LYS 23 HZ1 LYS 23 5.262 -3.817 -13.202 194 HZ2 LYS 23 HZ2 LYS 23 6.265 -5.112 -13.028 195 HZ3 LYS 23 HZ3 LYS 23 4.774 -5.127 -12.325 196 H LYS 24 H LYS 24 4.928 1.616 -7.428 197 HA LYS 24 HA LYS 24 7.080 2.229 -9.248 198 HB2 LYS 24 HB2 LYS 24 5.245 4.038 -7.639 199 HB3 LYS 24 HB3 LYS 24 6.275 4.546 -8.997 200 HG2 LYS 24 HG2 LYS 24 5.071 3.045 -10.515 201 HG3 LYS 24 HG3 LYS 24 4.113 2.400 -9.165 202 HD2 LYS 24 HD2 LYS 24 3.173 4.662 -8.760 203 HD3 LYS 24 HD3 LYS 24 4.070 5.274 -10.171 204 HE2 LYS 24 HE2 LYS 24 2.890 3.670 -11.628 205 HE3 LYS 24 HE3 LYS 24 2.041 2.998 -10.220 206 HZ1 LYS 24 HZ1 LYS 24 1.801 5.753 -11.212 207 HZ2 LYS 24 HZ2 LYS 24 0.678 4.556 -11.379 208 HZ3 LYS 24 HZ3 LYS 24 1.040 5.145 -9.885 209 H VAL 25 H VAL 25 6.958 2.070 -5.728 210 HA VAL 25 HA VAL 25 9.095 3.999 -5.378 211 HB VAL 25 HB VAL 25 7.630 2.044 -3.625 212 HG11 VAL 25 HG11 VAL 25 9.035 2.772 -1.714 213 HG12 VAL 25 HG12 VAL 25 9.972 1.835 -2.895 214 HG13 VAL 25 HG13 VAL 25 10.128 3.608 -2.841 215 HG21 VAL 25 HG21 VAL 25 8.250 4.991 -3.223 216 HG22 VAL 25 HG22 VAL 25 6.875 4.453 -4.218 217 HG23 VAL 25 HG23 VAL 25 6.955 4.037 -2.490 218 HA PRO 26 HA PRO 26 12.480 1.413 -6.581 219 HB2 PRO 26 HB2 PRO 26 13.877 3.193 -4.589 220 HB3 PRO 26 HB3 PRO 26 14.392 2.757 -6.252 221 HG2 PRO 26 HG2 PRO 26 13.293 5.183 -5.763 222 HG3 PRO 26 HG3 PRO 26 12.781 4.245 -7.209 223 HD2 PRO 26 HD2 PRO 26 11.377 4.506 -4.543 224 HD3 PRO 26 HD3 PRO 26 10.691 4.576 -6.198 225 H GLY 27 H GLY 27 13.473 -0.418 -5.734 226 HA2 GLY 27 HA2 GLY 27 14.491 -1.712 -4.064 227 HA3 GLY 27 HA3 GLY 27 13.752 -0.693 -2.814 228 H VAL 28 H VAL 28 11.071 -0.933 -4.355 229 HA VAL 28 HA VAL 28 10.104 -3.267 -2.937 230 HB VAL 28 HB VAL 28 8.885 -1.444 -5.051 231 HG11 VAL 28 HG11 VAL 28 7.803 -3.654 -5.132 232 HG12 VAL 28 HG12 VAL 28 7.567 -3.613 -3.369 233 HG13 VAL 28 HG13 VAL 28 6.718 -2.447 -4.410 234 HG21 VAL 28 HG21 VAL 28 8.473 -1.674 -2.038 235 HG22 VAL 28 HG22 VAL 28 9.375 -0.383 -2.867 236 HG23 VAL 28 HG23 VAL 28 7.624 -0.547 -3.122 237 H GLU 29 H GLU 29 10.144 -5.361 -3.643 238 HA GLU 29 HA GLU 29 10.603 -5.754 -6.552 239 HB2 GLU 29 HB2 GLU 29 12.470 -6.849 -6.141 240 HB3 GLU 29 HB3 GLU 29 12.369 -6.275 -4.469 241 HG2 GLU 29 HG2 GLU 29 11.109 -8.331 -3.868 242 HG3 GLU 29 HG3 GLU 29 11.220 -8.891 -5.552 243 H LYS 30 H LYS 30 8.855 -6.796 -3.664 244 HA LYS 30 HA LYS 30 7.074 -8.323 -5.483 245 HB2 LYS 30 HB2 LYS 30 8.125 -9.243 -2.787 246 HB3 LYS 30 HB3 LYS 30 6.660 -9.898 -3.542 247 HG2 LYS 30 HG2 LYS 30 7.985 -10.524 -5.550 248 HG3 LYS 30 HG3 LYS 30 9.464 -9.974 -4.724 249 HD2 LYS 30 HD2 LYS 30 9.071 -11.598 -2.911 250 HD3 LYS 30 HD3 LYS 30 7.550 -12.107 -3.677 251 HE2 LYS 30 HE2 LYS 30 8.796 -12.860 -5.673 252 HE3 LYS 30 HE3 LYS 30 10.320 -12.353 -4.917 253 HZ1 LYS 30 HZ1 LYS 30 8.490 -14.403 -3.875 254 HZ2 LYS 30 HZ2 LYS 30 9.920 -14.689 -4.639 255 HZ3 LYS 30 HZ3 LYS 30 9.904 -13.936 -3.172 256 H VAL 31 H VAL 31 4.862 -8.338 -4.805 257 HA VAL 31 HA VAL 31 4.157 -6.538 -2.575 258 HB VAL 31 HB VAL 31 3.158 -6.193 -5.435 259 HG11 VAL 31 HG11 VAL 31 1.447 -5.726 -3.684 260 HG12 VAL 31 HG12 VAL 31 2.574 -4.588 -2.915 261 HG13 VAL 31 HG13 VAL 31 1.948 -4.251 -4.546 262 HG21 VAL 31 HG21 VAL 31 4.262 -3.972 -5.300 263 HG22 VAL 31 HG22 VAL 31 4.928 -4.410 -3.709 264 HG23 VAL 31 HG23 VAL 31 5.435 -5.298 -5.167 265 H GLU 32 H GLU 32 2.118 -7.007 -1.700 266 HA GLU 32 HA GLU 32 0.428 -9.047 -2.983 267 HB2 GLU 32 HB2 GLU 32 2.071 -10.323 -1.609 268 HB3 GLU 32 HB3 GLU 32 1.614 -9.347 -0.198 269 HG2 GLU 32 HG2 GLU 32 0.044 -10.895 0.224 270 HG3 GLU 32 HG3 GLU 32 -0.844 -10.263 -1.174 271 H VAL 33 H VAL 33 -1.721 -8.471 -2.668 272 HA VAL 33 HA VAL 33 -2.264 -6.672 -0.358 273 HB VAL 33 HB VAL 33 -3.743 -5.333 -1.770 274 HG11 VAL 33 HG11 VAL 33 -0.969 -5.620 -2.994 275 HG12 VAL 33 HG12 VAL 33 -2.037 -4.203 -3.124 276 HG13 VAL 33 HG13 VAL 33 -1.369 -4.669 -1.542 277 HG21 VAL 33 HG21 VAL 33 -2.707 -7.050 -4.061 278 HG22 VAL 33 HG22 VAL 33 -4.358 -7.090 -3.396 279 HG23 VAL 33 HG23 VAL 33 -3.766 -5.627 -4.212 280 H SER 34 H SER 34 -4.453 -6.672 0.381 281 HA SER 34 HA SER 34 -6.098 -8.960 -0.558 282 HB2 SER 34 HB2 SER 34 -4.971 -9.621 1.535 283 HB3 SER 34 HB3 SER 34 -5.589 -8.156 2.335 284 HG SER 34 HG SER 34 -6.888 -10.059 2.664 285 H LEU 35 H LEU 35 -7.630 -7.804 -1.650 286 HA LEU 35 HA LEU 35 -8.418 -5.158 -0.966 287 HB2 LEU 35 HB2 LEU 35 -9.864 -7.305 -2.565 288 HB3 LEU 35 HB3 LEU 35 -10.253 -5.576 -2.579 289 HG LEU 35 HG LEU 35 -7.573 -6.769 -3.445 290 HD11 LEU 35 HD11 LEU 35 -9.058 -7.372 -5.161 291 HD12 LEU 35 HD12 LEU 35 -10.082 -5.919 -4.924 292 HD13 LEU 35 HD13 LEU 35 -8.484 -5.793 -5.693 293 HD21 LEU 35 HD21 LEU 35 -7.213 -4.471 -4.334 294 HD22 LEU 35 HD22 LEU 35 -8.736 -3.951 -3.581 295 HD23 LEU 35 HD23 LEU 35 -7.373 -4.479 -2.565 296 H GLU 36 H GLU 36 -9.376 -8.267 0.332 297 HA GLU 36 HA GLU 36 -11.965 -7.318 1.282 298 HB2 GLU 36 HB2 GLU 36 -10.292 -9.779 1.927 299 HB3 GLU 36 HB3 GLU 36 -11.968 -9.516 2.459 300 HG2 GLU 36 HG2 GLU 36 -12.726 -9.429 0.128 301 HG3 GLU 36 HG3 GLU 36 -11.056 -9.595 -0.448 302 H LYS 37 H LYS 37 -8.637 -7.578 2.511 303 HA LYS 37 HA LYS 37 -9.601 -6.833 5.210 304 HB2 LYS 37 HB2 LYS 37 -6.898 -7.862 4.272 305 HB3 LYS 37 HB3 LYS 37 -7.374 -7.544 5.958 306 HG2 LYS 37 HG2 LYS 37 -9.263 -9.164 5.694 307 HG3 LYS 37 HG3 LYS 37 -8.690 -9.534 4.054 308 HD2 LYS 37 HD2 LYS 37 -6.521 -10.296 4.995 309 HD3 LYS 37 HD3 LYS 37 -7.125 -9.941 6.633 310 HE2 LYS 37 HE2 LYS 37 -9.001 -11.527 6.272 311 HE3 LYS 37 HE3 LYS 37 -8.370 -11.899 4.657 312 HZ1 LYS 37 HZ1 LYS 37 -7.699 -13.517 6.260 313 HZ2 LYS 37 HZ2 LYS 37 -6.375 -12.714 5.699 314 HZ3 LYS 37 HZ3 LYS 37 -6.970 -12.372 7.198 315 H GLY 38 H GLY 38 -8.332 -5.361 2.407 316 HA2 GLY 38 HA2 GLY 38 -7.752 -3.168 2.057 317 HA3 GLY 38 HA3 GLY 38 -8.127 -2.832 3.759 318 H GLU 39 H GLU 39 -5.825 -5.397 3.038 319 HA GLU 39 HA GLU 39 -3.679 -3.692 4.215 320 HB2 GLU 39 HB2 GLU 39 -3.928 -6.703 3.808 321 HB3 GLU 39 HB3 GLU 39 -2.540 -5.872 4.541 322 HG2 GLU 39 HG2 GLU 39 -4.093 -4.898 6.258 323 HG3 GLU 39 HG3 GLU 39 -5.405 -5.881 5.575 324 H ALA 40 H ALA 40 -1.596 -3.701 3.328 325 HA ALA 40 HA ALA 40 -1.258 -4.654 0.564 326 HB1 ALA 40 HB1 ALA 40 -2.100 -2.351 0.320 327 HB2 ALA 40 HB2 ALA 40 -0.863 -1.767 1.457 328 HB3 ALA 40 HB3 ALA 40 -0.379 -2.433 -0.120 329 H LEU 41 H LEU 41 0.418 -5.970 0.838 330 HA LEU 41 HA LEU 41 2.563 -5.194 2.743 331 HB2 LEU 41 HB2 LEU 41 1.898 -7.858 1.409 332 HB3 LEU 41 HB3 LEU 41 3.210 -7.572 2.549 333 HG LEU 41 HG LEU 41 1.506 -8.637 3.784 334 HD11 LEU 41 HD11 LEU 41 1.424 -5.633 4.265 335 HD12 LEU 41 HD12 LEU 41 0.683 -6.832 5.362 336 HD13 LEU 41 HD13 LEU 41 2.439 -6.839 5.071 337 HD21 LEU 41 HD21 LEU 41 -0.813 -7.975 3.832 338 HD22 LEU 41 HD22 LEU 41 -0.495 -6.576 2.793 339 HD23 LEU 41 HD23 LEU 41 -0.327 -8.225 2.140 340 H VAL 42 H VAL 42 4.738 -5.306 2.094 341 HA VAL 42 HA VAL 42 5.263 -5.791 -0.771 342 HB VAL 42 HB VAL 42 6.778 -3.863 -0.858 343 HG11 VAL 42 HG11 VAL 42 5.123 -2.206 -1.219 344 HG12 VAL 42 HG12 VAL 42 4.308 -3.751 -1.499 345 HG13 VAL 42 HG13 VAL 42 4.044 -2.889 0.036 346 HG21 VAL 42 HG21 VAL 42 5.616 -3.127 1.862 347 HG22 VAL 42 HG22 VAL 42 7.284 -3.666 1.556 348 HG23 VAL 42 HG23 VAL 42 6.713 -2.125 0.883 349 H GLU 43 H GLU 43 7.614 -6.253 -1.113 350 HA GLU 43 HA GLU 43 9.051 -6.948 1.376 351 HB2 GLU 43 HB2 GLU 43 7.829 -8.981 0.563 352 HB3 GLU 43 HB3 GLU 43 8.736 -8.874 -0.958 353 HG2 GLU 43 HG2 GLU 43 10.853 -9.093 0.282 354 HG3 GLU 43 HG3 GLU 43 9.969 -9.137 1.815 355 H GLY 44 H GLY 44 10.322 -5.117 0.963 356 HA2 GLY 44 HA2 GLY 44 12.346 -5.446 -1.129 357 HA3 GLY 44 HA3 GLY 44 11.290 -4.027 -1.285 358 H THR 45 H THR 45 13.565 -3.044 -1.031 359 HA THR 45 HA THR 45 14.217 -2.713 1.857 360 HB THR 45 HB THR 45 16.490 -2.176 1.047 361 HG1 THR 45 HG1 THR 45 16.906 -2.754 -1.179 362 HG21 THR 45 HG21 THR 45 15.508 -4.577 1.523 363 HG22 THR 45 HG22 THR 45 15.707 -4.799 -0.216 364 HG23 THR 45 HG23 THR 45 17.131 -4.414 0.779 365 H ALA 46 H ALA 46 12.138 -1.249 0.257 366 HA ALA 46 HA ALA 46 13.233 1.354 -0.369 367 HB1 ALA 46 HB1 ALA 46 10.859 1.987 -0.573 368 HB2 ALA 46 HB2 ALA 46 11.169 0.445 -1.407 369 HB3 ALA 46 HB3 ALA 46 10.373 0.452 0.184 370 H ASP 47 H ASP 47 12.664 3.364 0.821 371 HA ASP 47 HA ASP 47 12.899 2.957 3.705 372 HB2 ASP 47 HB2 ASP 47 12.768 5.435 1.945 373 HB3 ASP 47 HB3 ASP 47 12.965 5.476 3.709 374 HA PRO 48 HA PRO 48 8.684 3.255 4.798 375 HB2 PRO 48 HB2 PRO 48 9.584 5.237 6.880 376 HB3 PRO 48 HB3 PRO 48 8.576 3.768 7.096 377 HG2 PRO 48 HG2 PRO 48 11.187 3.746 7.814 378 HG3 PRO 48 HG3 PRO 48 10.492 2.349 6.920 379 HD2 PRO 48 HD2 PRO 48 12.142 4.639 5.833 380 HD3 PRO 48 HD3 PRO 48 12.268 2.887 5.482 381 H LYS 49 H LYS 49 10.486 6.360 4.646 382 HA LYS 49 HA LYS 49 8.165 8.026 4.587 383 HB2 LYS 49 HB2 LYS 49 9.945 9.617 3.436 384 HB3 LYS 49 HB3 LYS 49 10.067 9.201 5.153 385 HG2 LYS 49 HG2 LYS 49 11.727 7.480 4.701 386 HG3 LYS 49 HG3 LYS 49 11.568 7.746 2.948 387 HD2 LYS 49 HD2 LYS 49 12.350 10.069 3.219 388 HD3 LYS 49 HD3 LYS 49 12.484 9.829 4.976 389 HE2 LYS 49 HE2 LYS 49 14.148 8.040 4.610 390 HE3 LYS 49 HE3 LYS 49 14.005 8.256 2.854 391 HZ1 LYS 49 HZ1 LYS 49 14.923 10.306 4.749 392 HZ2 LYS 49 HZ2 LYS 49 15.888 9.413 3.752 393 HZ3 LYS 49 HZ3 LYS 49 14.809 10.480 3.114 394 H ALA 50 H ALA 50 9.687 6.037 2.130 395 HA ALA 50 HA ALA 50 8.579 7.676 -0.043 396 HB1 ALA 50 HB1 ALA 50 10.810 6.631 -0.249 397 HB2 ALA 50 HB2 ALA 50 10.077 5.023 -0.050 398 HB3 ALA 50 HB3 ALA 50 9.688 6.006 -1.480 399 H LEU 51 H LEU 51 7.941 4.569 1.623 400 HA LEU 51 HA LEU 51 6.108 3.674 -0.385 401 HB2 LEU 51 HB2 LEU 51 7.461 2.372 1.477 402 HB3 LEU 51 HB3 LEU 51 6.021 2.705 2.463 403 HG LEU 51 HG LEU 51 4.688 1.793 0.409 404 HD11 LEU 51 HD11 LEU 51 5.985 0.175 -0.969 405 HD12 LEU 51 HD12 LEU 51 6.635 1.820 -1.150 406 HD13 LEU 51 HD13 LEU 51 7.471 0.643 -0.116 407 HD21 LEU 51 HD21 LEU 51 5.011 0.614 2.613 408 HD22 LEU 51 HD22 LEU 51 4.856 -0.485 1.219 409 HD23 LEU 51 HD23 LEU 51 6.454 -0.163 1.926 410 H VAL 52 H VAL 52 5.596 5.070 2.926 411 HA VAL 52 HA VAL 52 2.756 4.869 2.755 412 HB VAL 52 HB VAL 52 4.468 6.745 4.438 413 HG11 VAL 52 HG11 VAL 52 2.073 7.334 4.433 414 HG12 VAL 52 HG12 VAL 52 1.648 5.647 4.810 415 HG13 VAL 52 HG13 VAL 52 2.539 6.628 5.997 416 HG21 VAL 52 HG21 VAL 52 4.279 4.970 6.165 417 HG22 VAL 52 HG22 VAL 52 3.475 3.916 4.977 418 HG23 VAL 52 HG23 VAL 52 5.170 4.414 4.732 419 H GLN 53 H GLN 53 5.063 7.266 1.562 420 HA GLN 53 HA GLN 53 3.038 9.335 1.272 421 HB2 GLN 53 HB2 GLN 53 5.451 9.780 1.678 422 HB3 GLN 53 HB3 GLN 53 5.838 9.089 0.087 423 HG2 GLN 53 HG2 GLN 53 4.519 10.827 -1.022 424 HG3 GLN 53 HG3 GLN 53 3.959 11.441 0.548 425 HE21 GLN 53 HE21 GLN 53 7.284 12.991 -1.008 426 HE22 GLN 53 HE22 GLN 53 6.007 12.182 -1.895 427 H ALA 54 H ALA 54 4.469 6.748 -0.684 428 HA ALA 54 HA ALA 54 3.611 7.633 -3.231 429 HB1 ALA 54 HB1 ALA 54 3.934 5.259 -3.869 430 HB2 ALA 54 HB2 ALA 54 5.290 5.890 -2.908 431 HB3 ALA 54 HB3 ALA 54 4.081 4.834 -2.144 432 H VAL 55 H VAL 55 1.957 5.529 -0.775 433 HA VAL 55 HA VAL 55 -0.308 5.094 -2.534 434 HB VAL 55 HB VAL 55 -1.399 4.233 -0.470 435 HG11 VAL 55 HG11 VAL 55 0.076 2.333 -0.121 436 HG12 VAL 55 HG12 VAL 55 0.092 2.785 -1.838 437 HG13 VAL 55 HG13 VAL 55 1.456 3.235 -0.781 438 HG21 VAL 55 HG21 VAL 55 -0.123 4.110 1.628 439 HG22 VAL 55 HG22 VAL 55 1.213 5.022 0.890 440 HG23 VAL 55 HG23 VAL 55 -0.365 5.803 1.154 441 H GLU 56 H GLU 56 0.688 7.624 -0.295 442 HA GLU 56 HA GLU 56 -1.965 8.693 0.059 443 HB2 GLU 56 HB2 GLU 56 -0.062 9.029 1.627 444 HB3 GLU 56 HB3 GLU 56 0.761 10.010 0.397 445 HG2 GLU 56 HG2 GLU 56 -1.135 11.597 0.393 446 HG3 GLU 56 HG3 GLU 56 -1.986 10.591 1.584 447 H GLU 57 H GLU 57 0.457 8.835 -2.457 448 HA GLU 57 HA GLU 57 -0.403 11.308 -3.670 449 HB2 GLU 57 HB2 GLU 57 1.441 9.082 -4.241 450 HB3 GLU 57 HB3 GLU 57 0.615 9.689 -5.692 451 HG2 GLU 57 HG2 GLU 57 1.299 11.987 -5.154 452 HG3 GLU 57 HG3 GLU 57 2.112 11.412 -3.682 453 H GLU 58 H GLU 58 -1.619 8.027 -3.556 454 HA GLU 58 HA GLU 58 -3.401 8.458 -5.872 455 HB2 GLU 58 HB2 GLU 58 -3.067 6.156 -3.907 456 HB3 GLU 58 HB3 GLU 58 -4.203 6.158 -5.270 457 HG2 GLU 58 HG2 GLU 58 -1.194 6.520 -5.564 458 HG3 GLU 58 HG3 GLU 58 -2.033 4.969 -5.717 459 H GLY 59 H GLY 59 -3.226 9.244 -2.584 460 HA2 GLY 59 HA2 GLY 59 -4.868 10.595 -1.551 461 HA3 GLY 59 HA3 GLY 59 -6.117 9.873 -2.580 462 H TYR 60 H TYR 60 -3.936 7.521 -1.250 463 HA TYR 60 HA TYR 60 -5.933 6.957 0.886 464 HB2 TYR 60 HB2 TYR 60 -4.593 4.981 -0.983 465 HB3 TYR 60 HB3 TYR 60 -5.708 4.580 0.329 466 HD1 TYR 60 HD1 TYR 60 -5.385 5.771 -3.097 467 HD2 TYR 60 HD2 TYR 60 -8.105 5.239 0.186 468 HE1 TYR 60 HE1 TYR 60 -7.296 6.005 -4.656 469 HE2 TYR 60 HE2 TYR 60 -10.027 5.469 -1.361 470 HH TYR 60 HH TYR 60 -10.696 5.847 -3.522 471 H LYS 61 H LYS 61 -4.809 7.507 2.694 472 HA LYS 61 HA LYS 61 -2.012 6.842 3.084 473 HB2 LYS 61 HB2 LYS 61 -4.265 7.723 4.935 474 HB3 LYS 61 HB3 LYS 61 -2.588 7.481 5.472 475 HG2 LYS 61 HG2 LYS 61 -1.793 9.137 3.841 476 HG3 LYS 61 HG3 LYS 61 -3.448 9.369 3.236 477 HD2 LYS 61 HD2 LYS 61 -4.166 10.232 5.409 478 HD3 LYS 61 HD3 LYS 61 -2.558 9.902 6.101 479 HE2 LYS 61 HE2 LYS 61 -1.526 11.473 4.524 480 HE3 LYS 61 HE3 LYS 61 -3.098 11.776 3.759 481 HZ1 LYS 61 HZ1 LYS 61 -2.477 13.465 5.348 482 HZ2 LYS 61 HZ2 LYS 61 -3.870 12.703 5.789 483 HZ3 LYS 61 HZ3 LYS 61 -2.454 12.357 6.565 484 H ALA 62 H ALA 62 -1.364 5.396 5.002 485 HA ALA 62 HA ALA 62 -3.198 3.214 5.646 486 HB1 ALA 62 HB1 ALA 62 -2.456 2.576 3.385 487 HB2 ALA 62 HB2 ALA 62 -0.761 2.766 3.878 488 HB3 ALA 62 HB3 ALA 62 -1.762 1.486 4.608 489 H GLU 63 H GLU 63 -2.777 2.908 7.766 490 HA GLU 63 HA GLU 63 -0.320 3.734 9.012 491 HB2 GLU 63 HB2 GLU 63 -2.618 1.980 9.976 492 HB3 GLU 63 HB3 GLU 63 -1.310 2.599 11.002 493 HG2 GLU 63 HG2 GLU 63 -1.974 4.923 10.435 494 HG3 GLU 63 HG3 GLU 63 -3.314 4.290 9.455 495 H VAL 64 H VAL 64 1.597 2.647 8.950 496 HA VAL 64 HA VAL 64 1.898 -0.050 8.128 497 HB VAL 64 HB VAL 64 4.171 0.195 9.138 498 HG11 VAL 64 HG11 VAL 64 3.661 0.945 6.840 499 HG12 VAL 64 HG12 VAL 64 3.199 2.547 7.462 500 HG13 VAL 64 HG13 VAL 64 4.882 1.989 7.604 501 HG21 VAL 64 HG21 VAL 64 3.139 2.955 9.940 502 HG22 VAL 64 HG22 VAL 64 3.631 1.658 11.055 503 HG23 VAL 64 HG23 VAL 64 4.834 2.424 10.002 504 H LEU 65 H LEU 65 1.223 -1.829 9.153 505 HA LEU 65 HA LEU 65 0.429 -1.720 11.964 506 HB2 LEU 65 HB2 LEU 65 0.461 -3.972 9.915 507 HB3 LEU 65 HB3 LEU 65 -0.273 -4.068 11.526 508 HG LEU 65 HG LEU 65 -1.102 -2.091 9.347 509 HD11 LEU 65 HD11 LEU 65 -3.250 -3.659 9.704 510 HD12 LEU 65 HD12 LEU 65 -1.949 -4.119 8.557 511 HD13 LEU 65 HD13 LEU 65 -2.024 -4.830 10.186 512 HD21 LEU 65 HD21 LEU 65 -1.488 -1.251 11.637 513 HD22 LEU 65 HD22 LEU 65 -3.025 -1.704 10.875 514 HD23 LEU 65 HD23 LEU 65 -2.279 -2.785 12.076 515 H ALA 66 H ALA 66 3.290 -1.306 11.366 516 HA ALA 66 HA ALA 66 4.343 -3.475 13.070 517 HB1 ALA 66 HB1 ALA 66 4.842 -4.178 10.760 518 HB2 ALA 66 HB2 ALA 66 5.588 -2.596 10.433 519 HB3 ALA 66 HB3 ALA 66 6.330 -3.703 11.613 Start of MODEL 15 1 H1 MET 1 H MET 1 10.535 -3.298 9.915 2 HA MET 1 HA MET 1 9.572 -3.548 7.685 3 HB2 MET 1 HB2 MET 1 9.422 -5.402 9.359 4 HB3 MET 1 HB3 MET 1 7.799 -4.828 9.800 5 HG2 MET 1 HG2 MET 1 7.028 -5.192 7.511 6 HG3 MET 1 HG3 MET 1 8.661 -5.624 6.987 7 HE1 MET 1 HE1 MET 1 8.852 -7.909 6.211 8 HE2 MET 1 HE2 MET 1 9.913 -7.807 7.636 9 HE3 MET 1 HE3 MET 1 8.903 -9.250 7.381 10 H LEU 2 H LEU 2 7.469 -3.591 6.433 11 HA LEU 2 HA LEU 2 5.742 -1.344 7.358 12 HB2 LEU 2 HB2 LEU 2 6.448 -2.112 4.504 13 HB3 LEU 2 HB3 LEU 2 5.541 -0.678 5.031 14 HG LEU 2 HG LEU 2 8.443 -1.313 5.749 15 HD11 LEU 2 HD11 LEU 2 7.311 0.766 3.842 16 HD12 LEU 2 HD12 LEU 2 9.024 0.538 4.257 17 HD13 LEU 2 HD13 LEU 2 8.156 -0.731 3.367 18 HD21 LEU 2 HD21 LEU 2 6.782 1.195 6.232 19 HD22 LEU 2 HD22 LEU 2 7.284 0.036 7.480 20 HD23 LEU 2 HD23 LEU 2 8.504 0.991 6.613 21 H LYS 3 H LYS 3 3.492 -1.486 6.888 22 HA LYS 3 HA LYS 3 2.355 -3.982 5.878 23 HB2 LYS 3 HB2 LYS 3 3.128 -3.730 8.628 24 HB3 LYS 3 HB3 LYS 3 1.355 -3.643 8.564 25 HG2 LYS 3 HG2 LYS 3 1.241 -5.731 7.321 26 HG3 LYS 3 HG3 LYS 3 3.014 -5.774 7.171 27 HD2 LYS 3 HD2 LYS 3 3.201 -5.900 9.652 28 HD3 LYS 3 HD3 LYS 3 1.424 -5.983 9.760 29 HE2 LYS 3 HE2 LYS 3 1.427 -8.016 8.380 30 HE3 LYS 3 HE3 LYS 3 3.190 -7.928 8.199 31 HZ1 LYS 3 HZ1 LYS 3 1.874 -8.132 10.810 32 HZ2 LYS 3 HZ2 LYS 3 2.350 -9.458 9.933 33 HZ3 LYS 3 HZ3 LYS 3 3.460 -8.359 10.454 34 H LEU 4 H LEU 4 1.268 -2.422 4.444 35 HA LEU 4 HA LEU 4 0.185 -0.000 5.658 36 HB2 LEU 4 HB2 LEU 4 0.606 -1.140 2.910 37 HB3 LEU 4 HB3 LEU 4 -0.666 0.077 3.117 38 HG LEU 4 HG LEU 4 0.960 1.619 4.179 39 HD11 LEU 4 HD11 LEU 4 2.969 -0.539 3.407 40 HD12 LEU 4 HD12 LEU 4 3.377 1.102 3.957 41 HD13 LEU 4 HD13 LEU 4 2.562 -0.024 5.063 42 HD21 LEU 4 HD21 LEU 4 0.504 1.692 1.738 43 HD22 LEU 4 HD22 LEU 4 2.184 2.150 2.101 44 HD23 LEU 4 HD23 LEU 4 1.821 0.528 1.465 45 H LYS 5 H LYS 5 -1.672 -0.124 6.780 46 HA LYS 5 HA LYS 5 -3.883 -1.838 5.843 47 HB2 LYS 5 HB2 LYS 5 -3.475 -1.502 8.297 48 HB3 LYS 5 HB3 LYS 5 -3.748 0.241 8.067 49 HG2 LYS 5 HG2 LYS 5 -6.010 -0.417 7.020 50 HG3 LYS 5 HG3 LYS 5 -5.734 -2.035 7.698 51 HD2 LYS 5 HD2 LYS 5 -5.566 -1.044 9.963 52 HD3 LYS 5 HD3 LYS 5 -5.762 0.584 9.267 53 HE2 LYS 5 HE2 LYS 5 -7.992 -0.119 8.348 54 HE3 LYS 5 HE3 LYS 5 -7.775 -1.689 9.144 55 HZ1 LYS 5 HZ1 LYS 5 -7.410 -0.136 11.185 56 HZ2 LYS 5 HZ2 LYS 5 -8.327 0.894 10.309 57 HZ3 LYS 5 HZ3 LYS 5 -8.937 -0.584 10.702 58 H VAL 6 H VAL 6 -4.309 -0.945 3.764 59 HA VAL 6 HA VAL 6 -4.401 1.836 3.224 60 HB VAL 6 HB VAL 6 -5.869 -0.423 1.806 61 HG11 VAL 6 HG11 VAL 6 -4.857 2.301 0.868 62 HG12 VAL 6 HG12 VAL 6 -5.644 1.077 -0.156 63 HG13 VAL 6 HG13 VAL 6 -6.561 1.871 1.143 64 HG21 VAL 6 HG21 VAL 6 -3.466 -0.934 2.054 65 HG22 VAL 6 HG22 VAL 6 -3.848 -0.512 0.370 66 HG23 VAL 6 HG23 VAL 6 -3.052 0.679 1.425 67 H GLU 7 H GLU 7 -5.690 3.237 4.212 68 HA GLU 7 HA GLU 7 -8.146 2.505 5.505 69 HB2 GLU 7 HB2 GLU 7 -6.535 4.345 6.162 70 HB3 GLU 7 HB3 GLU 7 -7.086 5.259 4.747 71 HG2 GLU 7 HG2 GLU 7 -8.294 6.000 6.736 72 HG3 GLU 7 HG3 GLU 7 -9.418 5.172 5.643 73 H GLY 8 H GLY 8 -10.283 2.979 4.910 74 HA2 GLY 8 HA2 GLY 8 -10.745 3.297 2.023 75 HA3 GLY 8 HA3 GLY 8 -11.940 2.862 3.265 76 H MET 9 H MET 9 -9.720 5.611 2.501 77 HA MET 9 HA MET 9 -11.341 7.538 3.857 78 HB2 MET 9 HB2 MET 9 -9.209 7.881 1.709 79 HB3 MET 9 HB3 MET 9 -9.853 9.171 2.749 80 HG2 MET 9 HG2 MET 9 -9.089 7.920 4.751 81 HG3 MET 9 HG3 MET 9 -8.435 6.657 3.702 82 HE1 MET 9 HE1 MET 9 -6.787 10.960 4.118 83 HE2 MET 9 HE2 MET 9 -8.352 10.613 3.347 84 HE3 MET 9 HE3 MET 9 -8.114 10.265 5.076 85 H THR 10 H THR 10 -11.215 6.384 0.470 86 HA THR 10 HA THR 10 -13.693 7.928 -0.033 87 HB THR 10 HB THR 10 -12.796 8.502 -2.305 88 HG1 THR 10 HG1 THR 10 -10.486 8.405 -2.470 89 HG21 THR 10 HG21 THR 10 -12.783 10.148 -0.446 90 HG22 THR 10 HG22 THR 10 -11.163 9.581 0.031 91 HG23 THR 10 HG23 THR 10 -11.402 10.372 -1.543 92 H CYS 11 H CYS 11 -14.812 7.134 -2.031 93 HA CYS 11 HA CYS 11 -15.883 5.381 -3.026 94 HB2 CYS 11 HB2 CYS 11 -12.992 4.639 -3.602 95 HB3 CYS 11 HB3 CYS 11 -14.415 4.061 -4.503 96 HG CYS 11 HG CYS 11 -15.300 6.414 -5.170 97 H ASN 12 H ASN 12 -15.528 4.966 -0.192 98 HA ASN 12 HA ASN 12 -14.450 2.403 0.373 99 HB2 ASN 12 HB2 ASN 12 -15.623 2.650 2.511 100 HB3 ASN 12 HB3 ASN 12 -14.822 4.164 2.052 101 HD21 ASN 12 HD21 ASN 12 -18.759 4.173 2.845 102 HD22 ASN 12 HD22 ASN 12 -17.654 2.890 3.288 103 H HIS 13 H HIS 13 -17.348 3.235 -1.301 104 HA HIS 13 HA HIS 13 -18.663 0.687 -0.573 105 HB2 HIS 13 HB2 HIS 13 -19.497 3.040 -2.296 106 HB3 HIS 13 HB3 HIS 13 -20.424 1.536 -2.171 107 HD1 HIS 13 HD1 HIS 13 -21.962 1.266 -0.068 108 HD2 HIS 13 HD2 HIS 13 -19.224 4.459 0.127 109 HE1 HIS 13 HE1 HIS 13 -22.540 2.605 2.030 110 H CYS 14 H CYS 14 -16.245 1.750 -2.612 111 HA CYS 14 HA CYS 14 -16.722 -0.487 -4.505 112 HB2 CYS 14 HB2 CYS 14 -15.573 2.264 -5.136 113 HB3 CYS 14 HB3 CYS 14 -15.681 0.896 -6.270 114 HG CYS 14 HG CYS 14 -17.537 2.619 -6.844 115 H VAL 15 H VAL 15 -14.252 -0.400 -5.796 116 HA VAL 15 HA VAL 15 -12.233 -0.410 -3.644 117 HB VAL 15 HB VAL 15 -13.228 -2.673 -3.709 118 HG11 VAL 15 HG11 VAL 15 -12.215 -2.725 -6.584 119 HG12 VAL 15 HG12 VAL 15 -12.917 -4.097 -5.693 120 HG13 VAL 15 HG13 VAL 15 -13.923 -2.684 -6.087 121 HG21 VAL 15 HG21 VAL 15 -10.435 -2.669 -4.908 122 HG22 VAL 15 HG22 VAL 15 -10.794 -2.271 -3.205 123 HG23 VAL 15 HG23 VAL 15 -11.161 -3.889 -3.843 124 H MET 16 H MET 16 -10.023 -0.374 -4.491 125 HA MET 16 HA MET 16 -9.838 0.273 -7.383 126 HB2 MET 16 HB2 MET 16 -8.758 1.927 -5.078 127 HB3 MET 16 HB3 MET 16 -8.378 2.214 -6.786 128 HG2 MET 16 HG2 MET 16 -11.277 2.035 -6.106 129 HG3 MET 16 HG3 MET 16 -10.416 3.408 -5.416 130 HE1 MET 16 HE1 MET 16 -9.149 5.437 -8.420 131 HE2 MET 16 HE2 MET 16 -9.378 5.359 -6.658 132 HE3 MET 16 HE3 MET 16 -8.256 4.235 -7.460 133 H ALA 17 H ALA 17 -7.598 0.228 -8.174 134 HA ALA 17 HA ALA 17 -6.153 -2.045 -7.053 135 HB1 ALA 17 HB1 ALA 17 -6.448 -1.749 -9.487 136 HB2 ALA 17 HB2 ALA 17 -5.571 -0.202 -9.410 137 HB3 ALA 17 HB3 ALA 17 -4.723 -1.722 -9.046 138 H VAL 18 H VAL 18 -4.860 -1.703 -5.293 139 HA VAL 18 HA VAL 18 -3.496 0.910 -5.041 140 HB VAL 18 HB VAL 18 -3.569 -1.450 -3.151 141 HG11 VAL 18 HG11 VAL 18 -1.913 0.712 -3.030 142 HG12 VAL 18 HG12 VAL 18 -3.303 1.338 -2.150 143 HG13 VAL 18 HG13 VAL 18 -2.521 -0.154 -1.586 144 HG21 VAL 18 HG21 VAL 18 -5.870 -0.443 -3.746 145 HG22 VAL 18 HG22 VAL 18 -5.433 -0.514 -2.013 146 HG23 VAL 18 HG23 VAL 18 -5.313 1.010 -2.919 147 H THR 19 H THR 19 -2.884 -2.441 -5.920 148 HA THR 19 HA THR 19 -0.246 -2.742 -5.167 149 HB THR 19 HB THR 19 -1.505 -3.727 -7.754 150 HG1 THR 19 HG1 THR 19 -2.014 -5.530 -6.329 151 HG21 THR 19 HG21 THR 19 0.021 -5.640 -7.432 152 HG22 THR 19 HG22 THR 19 0.941 -4.123 -7.546 153 HG23 THR 19 HG23 THR 19 0.673 -4.885 -5.961 154 H LYS 20 H LYS 20 -1.497 -1.099 -8.111 155 HA LYS 20 HA LYS 20 1.034 -0.824 -9.363 156 HB2 LYS 20 HB2 LYS 20 -1.532 0.793 -9.584 157 HB3 LYS 20 HB3 LYS 20 -0.126 0.995 -10.655 158 HG2 LYS 20 HG2 LYS 20 -0.260 -1.380 -11.310 159 HG3 LYS 20 HG3 LYS 20 -1.676 -1.601 -10.256 160 HD2 LYS 20 HD2 LYS 20 -2.954 0.020 -11.566 161 HD3 LYS 20 HD3 LYS 20 -1.524 0.390 -12.558 162 HE2 LYS 20 HE2 LYS 20 -1.460 -1.925 -13.376 163 HE3 LYS 20 HE3 LYS 20 -2.850 -2.345 -12.356 164 HZ1 LYS 20 HZ1 LYS 20 -3.451 -1.877 -14.640 165 HZ2 LYS 20 HZ2 LYS 20 -4.178 -0.836 -13.591 166 HZ3 LYS 20 HZ3 LYS 20 -2.893 -0.333 -14.496 167 H ALA 21 H ALA 21 -0.363 0.916 -6.639 168 HA ALA 21 HA ALA 21 1.284 3.281 -7.063 169 HB1 ALA 21 HB1 ALA 21 -0.260 2.309 -4.627 170 HB2 ALA 21 HB2 ALA 21 0.423 3.935 -4.856 171 HB3 ALA 21 HB3 ALA 21 -0.897 3.368 -5.906 172 H LEU 22 H LEU 22 1.599 0.158 -5.400 173 HA LEU 22 HA LEU 22 3.854 1.108 -3.793 174 HB2 LEU 22 HB2 LEU 22 2.511 -1.594 -4.217 175 HB3 LEU 22 HB3 LEU 22 3.992 -1.394 -3.271 176 HG LEU 22 HG LEU 22 2.235 -1.378 -1.705 177 HD11 LEU 22 HD11 LEU 22 4.000 0.427 -1.483 178 HD12 LEU 22 HD12 LEU 22 2.823 1.566 -2.167 179 HD13 LEU 22 HD13 LEU 22 2.470 0.752 -0.629 180 HD21 LEU 22 HD21 LEU 22 0.858 0.795 -3.330 181 HD22 LEU 22 HD22 LEU 22 0.378 -0.920 -3.284 182 HD23 LEU 22 HD23 LEU 22 0.281 0.072 -1.814 183 H LYS 23 H LYS 23 3.342 -0.746 -6.804 184 HA LYS 23 HA LYS 23 5.943 -1.826 -6.974 185 HB2 LYS 23 HB2 LYS 23 3.862 -2.409 -8.331 186 HB3 LYS 23 HB3 LYS 23 4.224 -0.983 -9.331 187 HG2 LYS 23 HG2 LYS 23 6.509 -1.940 -9.761 188 HG3 LYS 23 HG3 LYS 23 6.046 -3.382 -8.831 189 HD2 LYS 23 HD2 LYS 23 4.202 -3.809 -10.442 190 HD3 LYS 23 HD3 LYS 23 4.685 -2.362 -11.362 191 HE2 LYS 23 HE2 LYS 23 6.943 -3.356 -11.689 192 HE3 LYS 23 HE3 LYS 23 6.415 -4.814 -10.829 193 HZ1 LYS 23 HZ1 LYS 23 5.253 -3.778 -13.322 194 HZ2 LYS 23 HZ2 LYS 23 6.270 -5.065 -13.195 195 HZ3 LYS 23 HZ3 LYS 23 4.765 -5.140 -12.528 196 H LYS 24 H LYS 24 4.819 1.452 -7.469 197 HA LYS 24 HA LYS 24 6.978 2.187 -9.264 198 HB2 LYS 24 HB2 LYS 24 4.956 3.805 -7.671 199 HB3 LYS 24 HB3 LYS 24 6.063 4.484 -8.889 200 HG2 LYS 24 HG2 LYS 24 5.096 3.093 -10.634 201 HG3 LYS 24 HG3 LYS 24 4.104 2.219 -9.448 202 HD2 LYS 24 HD2 LYS 24 2.903 4.310 -8.899 203 HD3 LYS 24 HD3 LYS 24 3.864 5.181 -10.121 204 HE2 LYS 24 HE2 LYS 24 2.992 3.719 -11.887 205 HE3 LYS 24 HE3 LYS 24 2.119 2.746 -10.685 206 HZ1 LYS 24 HZ1 LYS 24 1.627 5.586 -11.246 207 HZ2 LYS 24 HZ2 LYS 24 0.693 4.329 -11.762 208 HZ3 LYS 24 HZ3 LYS 24 0.816 4.662 -10.152 209 H VAL 25 H VAL 25 6.743 1.740 -5.830 210 HA VAL 25 HA VAL 25 8.664 3.809 -5.151 211 HB VAL 25 HB VAL 25 7.494 1.426 -3.687 212 HG11 VAL 25 HG11 VAL 25 8.456 2.412 -1.627 213 HG12 VAL 25 HG12 VAL 25 9.721 1.887 -2.759 214 HG13 VAL 25 HG13 VAL 25 9.318 3.615 -2.614 215 HG21 VAL 25 HG21 VAL 25 7.081 4.392 -3.196 216 HG22 VAL 25 HG22 VAL 25 6.054 3.451 -4.315 217 HG23 VAL 25 HG23 VAL 25 6.118 3.038 -2.590 218 HA PRO 26 HA PRO 26 12.224 1.514 -6.530 219 HB2 PRO 26 HB2 PRO 26 13.516 3.331 -4.501 220 HB3 PRO 26 HB3 PRO 26 14.042 2.977 -6.181 221 HG2 PRO 26 HG2 PRO 26 12.782 5.306 -5.622 222 HG3 PRO 26 HG3 PRO 26 12.312 4.366 -7.081 223 HD2 PRO 26 HD2 PRO 26 10.938 4.458 -4.386 224 HD3 PRO 26 HD3 PRO 26 10.219 4.530 -6.027 225 H GLY 27 H GLY 27 13.319 -0.285 -5.756 226 HA2 GLY 27 HA2 GLY 27 14.449 -1.563 -4.152 227 HA3 GLY 27 HA3 GLY 27 13.701 -0.615 -2.855 228 H VAL 28 H VAL 28 10.988 -0.980 -4.324 229 HA VAL 28 HA VAL 28 10.189 -3.368 -2.894 230 HB VAL 28 HB VAL 28 8.812 -1.568 -4.928 231 HG11 VAL 28 HG11 VAL 28 7.831 -3.821 -5.027 232 HG12 VAL 28 HG12 VAL 28 7.657 -3.835 -3.256 233 HG13 VAL 28 HG13 VAL 28 6.717 -2.685 -4.237 234 HG21 VAL 28 HG21 VAL 28 8.531 -1.877 -1.907 235 HG22 VAL 28 HG22 VAL 28 9.325 -0.524 -2.747 236 HG23 VAL 28 HG23 VAL 28 7.576 -0.780 -2.931 237 H GLU 29 H GLU 29 10.212 -5.462 -3.635 238 HA GLU 29 HA GLU 29 10.607 -5.799 -6.563 239 HB2 GLU 29 HB2 GLU 29 12.473 -6.914 -6.187 240 HB3 GLU 29 HB3 GLU 29 12.361 -6.464 -4.478 241 HG2 GLU 29 HG2 GLU 29 11.062 -8.515 -4.020 242 HG3 GLU 29 HG3 GLU 29 11.140 -8.952 -5.743 243 H LYS 30 H LYS 30 8.880 -6.848 -3.664 244 HA LYS 30 HA LYS 30 7.046 -8.325 -5.475 245 HB2 LYS 30 HB2 LYS 30 8.040 -9.253 -2.756 246 HB3 LYS 30 HB3 LYS 30 6.630 -9.926 -3.589 247 HG2 LYS 30 HG2 LYS 30 8.070 -10.541 -5.520 248 HG3 LYS 30 HG3 LYS 30 9.492 -9.951 -4.624 249 HD2 LYS 30 HD2 LYS 30 9.023 -11.562 -2.809 250 HD3 LYS 30 HD3 LYS 30 7.579 -12.127 -3.677 251 HE2 LYS 30 HE2 LYS 30 9.009 -12.838 -5.576 252 HE3 LYS 30 HE3 LYS 30 10.448 -12.309 -4.679 253 HZ1 LYS 30 HZ1 LYS 30 8.555 -14.383 -3.810 254 HZ2 LYS 30 HZ2 LYS 30 10.053 -14.653 -4.442 255 HZ3 LYS 30 HZ3 LYS 30 9.895 -13.901 -2.984 256 H VAL 31 H VAL 31 4.839 -8.313 -4.768 257 HA VAL 31 HA VAL 31 4.190 -6.522 -2.516 258 HB VAL 31 HB VAL 31 3.126 -6.149 -5.348 259 HG11 VAL 31 HG11 VAL 31 1.490 -5.645 -3.537 260 HG12 VAL 31 HG12 VAL 31 2.672 -4.545 -2.801 261 HG13 VAL 31 HG13 VAL 31 1.999 -4.175 -4.405 262 HG21 VAL 31 HG21 VAL 31 4.289 -3.957 -5.251 263 HG22 VAL 31 HG22 VAL 31 5.004 -4.416 -3.688 264 HG23 VAL 31 HG23 VAL 31 5.431 -5.313 -5.164 265 H GLU 32 H GLU 32 2.146 -6.975 -1.615 266 HA GLU 32 HA GLU 32 0.464 -9.033 -2.892 267 HB2 GLU 32 HB2 GLU 32 2.110 -10.275 -1.487 268 HB3 GLU 32 HB3 GLU 32 1.640 -9.276 -0.097 269 HG2 GLU 32 HG2 GLU 32 0.098 -10.849 0.343 270 HG3 GLU 32 HG3 GLU 32 -0.811 -10.210 -1.037 271 H VAL 33 H VAL 33 -1.676 -8.456 -2.618 272 HA VAL 33 HA VAL 33 -2.269 -6.633 -0.341 273 HB VAL 33 HB VAL 33 -3.739 -5.334 -1.845 274 HG11 VAL 33 HG11 VAL 33 -0.864 -5.537 -2.834 275 HG12 VAL 33 HG12 VAL 33 -1.960 -4.156 -3.069 276 HG13 VAL 33 HG13 VAL 33 -1.419 -4.589 -1.431 277 HG21 VAL 33 HG21 VAL 33 -2.468 -7.023 -4.043 278 HG22 VAL 33 HG22 VAL 33 -4.170 -7.097 -3.526 279 HG23 VAL 33 HG23 VAL 33 -3.535 -5.623 -4.288 280 H SER 34 H SER 34 -4.430 -6.654 0.395 281 HA SER 34 HA SER 34 -6.143 -8.850 -0.624 282 HB2 SER 34 HB2 SER 34 -5.013 -9.669 1.410 283 HB3 SER 34 HB3 SER 34 -5.567 -8.233 2.303 284 HG SER 34 HG SER 34 -6.924 -10.114 2.537 285 H LEU 35 H LEU 35 -7.647 -7.567 -1.630 286 HA LEU 35 HA LEU 35 -8.374 -4.963 -0.719 287 HB2 LEU 35 HB2 LEU 35 -9.832 -6.940 -2.516 288 HB3 LEU 35 HB3 LEU 35 -10.235 -5.219 -2.356 289 HG LEU 35 HG LEU 35 -7.514 -6.263 -3.280 290 HD11 LEU 35 HD11 LEU 35 -8.915 -6.810 -5.079 291 HD12 LEU 35 HD12 LEU 35 -10.022 -5.437 -4.769 292 HD13 LEU 35 HD13 LEU 35 -8.412 -5.166 -5.477 293 HD21 LEU 35 HD21 LEU 35 -7.267 -3.881 -4.009 294 HD22 LEU 35 HD22 LEU 35 -8.810 -3.502 -3.218 295 HD23 LEU 35 HD23 LEU 35 -7.423 -4.042 -2.245 296 H GLU 36 H GLU 36 -9.328 -8.145 0.336 297 HA GLU 36 HA GLU 36 -11.928 -7.299 1.352 298 HB2 GLU 36 HB2 GLU 36 -10.233 -9.785 1.820 299 HB3 GLU 36 HB3 GLU 36 -11.920 -9.580 2.342 300 HG2 GLU 36 HG2 GLU 36 -12.638 -9.320 0.008 301 HG3 GLU 36 HG3 GLU 36 -10.956 -9.427 -0.545 302 H LYS 37 H LYS 37 -8.594 -7.600 2.544 303 HA LYS 37 HA LYS 37 -9.563 -7.028 5.288 304 HB2 LYS 37 HB2 LYS 37 -6.882 -8.053 4.287 305 HB3 LYS 37 HB3 LYS 37 -7.312 -7.762 5.992 306 HG2 LYS 37 HG2 LYS 37 -9.204 -9.345 5.790 307 HG3 LYS 37 HG3 LYS 37 -8.772 -9.655 4.095 308 HD2 LYS 37 HD2 LYS 37 -6.585 -10.549 4.798 309 HD3 LYS 37 HD3 LYS 37 -6.989 -10.208 6.500 310 HE2 LYS 37 HE2 LYS 37 -8.930 -11.719 6.358 311 HE3 LYS 37 HE3 LYS 37 -8.572 -12.041 4.651 312 HZ1 LYS 37 HZ1 LYS 37 -7.750 -13.753 6.087 313 HZ2 LYS 37 HZ2 LYS 37 -6.506 -13.005 5.311 314 HZ3 LYS 37 HZ3 LYS 37 -6.799 -12.681 6.905 315 H GLY 38 H GLY 38 -8.276 -5.424 2.565 316 HA2 GLY 38 HA2 GLY 38 -7.674 -3.212 2.346 317 HA3 GLY 38 HA3 GLY 38 -8.014 -2.980 4.073 318 H GLU 39 H GLU 39 -5.791 -5.548 3.136 319 HA GLU 39 HA GLU 39 -3.582 -3.995 4.403 320 HB2 GLU 39 HB2 GLU 39 -3.915 -6.945 3.708 321 HB3 GLU 39 HB3 GLU 39 -2.505 -6.233 4.523 322 HG2 GLU 39 HG2 GLU 39 -3.948 -5.481 6.382 323 HG3 GLU 39 HG3 GLU 39 -5.367 -6.167 5.568 324 H ALA 40 H ALA 40 -1.524 -3.952 3.476 325 HA ALA 40 HA ALA 40 -1.190 -4.766 0.676 326 HB1 ALA 40 HB1 ALA 40 -2.131 -2.507 0.484 327 HB2 ALA 40 HB2 ALA 40 -0.947 -1.888 1.655 328 HB3 ALA 40 HB3 ALA 40 -0.402 -2.474 0.066 329 H LEU 41 H LEU 41 0.549 -6.024 0.933 330 HA LEU 41 HA LEU 41 2.685 -5.143 2.811 331 HB2 LEU 41 HB2 LEU 41 2.097 -7.889 1.620 332 HB3 LEU 41 HB3 LEU 41 3.375 -7.497 2.769 333 HG LEU 41 HG LEU 41 1.688 -8.538 4.034 334 HD11 LEU 41 HD11 LEU 41 1.474 -5.517 4.331 335 HD12 LEU 41 HD12 LEU 41 0.754 -6.680 5.479 336 HD13 LEU 41 HD13 LEU 41 2.514 -6.632 5.227 337 HD21 LEU 41 HD21 LEU 41 -0.657 -7.984 3.985 338 HD22 LEU 41 HD22 LEU 41 -0.378 -6.641 2.864 339 HD23 LEU 41 HD23 LEU 41 -0.114 -8.318 2.326 340 H VAL 42 H VAL 42 4.864 -5.271 2.125 341 HA VAL 42 HA VAL 42 5.331 -5.811 -0.739 342 HB VAL 42 HB VAL 42 6.809 -3.846 -0.895 343 HG11 VAL 42 HG11 VAL 42 5.103 -2.255 -1.307 344 HG12 VAL 42 HG12 VAL 42 4.338 -3.830 -1.541 345 HG13 VAL 42 HG13 VAL 42 4.043 -2.932 -0.034 346 HG21 VAL 42 HG21 VAL 42 5.606 -3.034 1.785 347 HG22 VAL 42 HG22 VAL 42 7.279 -3.577 1.532 348 HG23 VAL 42 HG23 VAL 42 6.715 -2.066 0.786 349 H GLU 43 H GLU 43 7.674 -6.216 -1.147 350 HA GLU 43 HA GLU 43 9.200 -6.877 1.307 351 HB2 GLU 43 HB2 GLU 43 7.992 -8.916 0.454 352 HB3 GLU 43 HB3 GLU 43 8.906 -8.757 -1.061 353 HG2 GLU 43 HG2 GLU 43 11.027 -8.928 0.220 354 HG3 GLU 43 HG3 GLU 43 10.096 -9.107 1.720 355 H GLY 44 H GLY 44 10.595 -5.150 0.991 356 HA2 GLY 44 HA2 GLY 44 12.560 -5.434 -1.129 357 HA3 GLY 44 HA3 GLY 44 11.507 -4.015 -1.313 358 H THR 45 H THR 45 13.821 -3.090 -1.072 359 HA THR 45 HA THR 45 14.458 -2.693 1.807 360 HB THR 45 HB THR 45 16.704 -2.081 0.971 361 HG1 THR 45 HG1 THR 45 17.122 -2.663 -1.249 362 HG21 THR 45 HG21 THR 45 15.819 -4.507 1.488 363 HG22 THR 45 HG22 THR 45 15.993 -4.744 -0.252 364 HG23 THR 45 HG23 THR 45 17.421 -4.298 0.709 365 H ALA 46 H ALA 46 12.318 -1.309 0.234 366 HA ALA 46 HA ALA 46 13.281 1.325 -0.428 367 HB1 ALA 46 HB1 ALA 46 10.882 1.856 -0.571 368 HB2 ALA 46 HB2 ALA 46 11.211 0.295 -1.362 369 HB3 ALA 46 HB3 ALA 46 10.480 0.334 0.258 370 H ASP 47 H ASP 47 12.178 3.298 0.762 371 HA ASP 47 HA ASP 47 12.608 2.873 3.673 372 HB2 ASP 47 HB2 ASP 47 12.644 5.383 1.955 373 HB3 ASP 47 HB3 ASP 47 12.834 5.364 3.719 374 HA PRO 48 HA PRO 48 8.398 3.335 4.650 375 HB2 PRO 48 HB2 PRO 48 9.291 5.359 6.695 376 HB3 PRO 48 HB3 PRO 48 8.228 3.931 6.924 377 HG2 PRO 48 HG2 PRO 48 10.813 3.840 7.723 378 HG3 PRO 48 HG3 PRO 48 10.098 2.445 6.846 379 HD2 PRO 48 HD2 PRO 48 11.867 4.638 5.750 380 HD3 PRO 48 HD3 PRO 48 11.927 2.873 5.445 381 H LYS 49 H LYS 49 10.263 6.403 4.455 382 HA LYS 49 HA LYS 49 7.984 8.111 4.247 383 HB2 LYS 49 HB2 LYS 49 9.826 9.608 3.069 384 HB3 LYS 49 HB3 LYS 49 9.913 9.261 4.805 385 HG2 LYS 49 HG2 LYS 49 11.524 7.463 4.436 386 HG3 LYS 49 HG3 LYS 49 11.408 7.690 2.675 387 HD2 LYS 49 HD2 LYS 49 12.257 10.000 2.915 388 HD3 LYS 49 HD3 LYS 49 12.364 9.780 4.677 389 HE2 LYS 49 HE2 LYS 49 13.947 7.897 4.331 390 HE3 LYS 49 HE3 LYS 49 13.857 8.152 2.576 391 HZ1 LYS 49 HZ1 LYS 49 14.829 10.106 4.545 392 HZ2 LYS 49 HZ2 LYS 49 15.765 9.206 3.526 393 HZ3 LYS 49 HZ3 LYS 49 14.745 10.342 2.913 394 H ALA 50 H ALA 50 9.556 5.995 1.929 395 HA ALA 50 HA ALA 50 8.457 7.505 -0.348 396 HB1 ALA 50 HB1 ALA 50 10.721 6.511 -0.470 397 HB2 ALA 50 HB2 ALA 50 10.023 4.896 -0.200 398 HB3 ALA 50 HB3 ALA 50 9.630 5.799 -1.682 399 H LEU 51 H LEU 51 7.885 4.504 1.506 400 HA LEU 51 HA LEU 51 6.073 3.424 -0.436 401 HB2 LEU 51 HB2 LEU 51 7.453 2.238 1.434 402 HB3 LEU 51 HB3 LEU 51 6.102 2.692 2.496 403 HG LEU 51 HG LEU 51 4.571 1.612 0.709 404 HD11 LEU 51 HD11 LEU 51 5.746 -0.150 -0.660 405 HD12 LEU 51 HD12 LEU 51 6.209 1.502 -1.127 406 HD13 LEU 51 HD13 LEU 51 7.300 0.519 -0.125 407 HD21 LEU 51 HD21 LEU 51 5.209 0.572 2.918 408 HD22 LEU 51 HD22 LEU 51 4.871 -0.607 1.626 409 HD23 LEU 51 HD23 LEU 51 6.549 -0.241 2.082 410 H VAL 52 H VAL 52 5.580 5.113 2.735 411 HA VAL 52 HA VAL 52 2.729 4.879 2.622 412 HB VAL 52 HB VAL 52 4.463 6.917 4.081 413 HG11 VAL 52 HG11 VAL 52 2.072 7.535 3.991 414 HG12 VAL 52 HG12 VAL 52 1.625 5.918 4.582 415 HG13 VAL 52 HG13 VAL 52 2.530 7.031 5.632 416 HG21 VAL 52 HG21 VAL 52 4.256 5.357 5.999 417 HG22 VAL 52 HG22 VAL 52 3.422 4.187 4.948 418 HG23 VAL 52 HG23 VAL 52 5.124 4.619 4.637 419 H GLN 53 H GLN 53 5.056 7.334 1.463 420 HA GLN 53 HA GLN 53 3.090 9.324 0.894 421 HB2 GLN 53 HB2 GLN 53 5.495 9.776 1.186 422 HB3 GLN 53 HB3 GLN 53 5.859 8.850 -0.286 423 HG2 GLN 53 HG2 GLN 53 4.558 10.439 -1.634 424 HG3 GLN 53 HG3 GLN 53 4.074 11.316 -0.169 425 HE21 GLN 53 HE21 GLN 53 8.063 11.545 -1.331 426 HE22 GLN 53 HE22 GLN 53 7.174 10.053 -1.567 427 H ALA 54 H ALA 54 4.346 6.524 -0.902 428 HA ALA 54 HA ALA 54 3.497 7.277 -3.479 429 HB1 ALA 54 HB1 ALA 54 3.619 4.869 -3.972 430 HB2 ALA 54 HB2 ALA 54 5.012 5.399 -3.002 431 HB3 ALA 54 HB3 ALA 54 3.679 4.507 -2.231 432 H VAL 55 H VAL 55 1.775 5.203 -1.043 433 HA VAL 55 HA VAL 55 -0.585 5.078 -2.704 434 HB VAL 55 HB VAL 55 -1.600 4.040 -0.683 435 HG11 VAL 55 HG11 VAL 55 -0.106 2.086 -0.610 436 HG12 VAL 55 HG12 VAL 55 -0.270 2.696 -2.272 437 HG13 VAL 55 HG13 VAL 55 1.204 3.045 -1.337 438 HG21 VAL 55 HG21 VAL 55 -0.224 3.669 1.319 439 HG22 VAL 55 HG22 VAL 55 1.103 4.614 0.609 440 HG23 VAL 55 HG23 VAL 55 -0.434 5.407 1.032 441 H GLU 56 H GLU 56 0.627 7.339 -0.276 442 HA GLU 56 HA GLU 56 -1.960 8.447 0.343 443 HB2 GLU 56 HB2 GLU 56 0.001 8.637 1.826 444 HB3 GLU 56 HB3 GLU 56 0.843 9.610 0.601 445 HG2 GLU 56 HG2 GLU 56 -0.892 11.342 0.752 446 HG3 GLU 56 HG3 GLU 56 -1.806 10.355 1.909 447 H GLU 57 H GLU 57 0.362 8.804 -2.262 448 HA GLU 57 HA GLU 57 -0.579 11.352 -3.218 449 HB2 GLU 57 HB2 GLU 57 1.637 10.348 -3.771 450 HB3 GLU 57 HB3 GLU 57 0.809 9.080 -4.701 451 HG2 GLU 57 HG2 GLU 57 -0.132 10.761 -6.215 452 HG3 GLU 57 HG3 GLU 57 0.567 12.067 -5.237 453 H GLU 58 H GLU 58 -1.693 8.035 -3.405 454 HA GLU 58 HA GLU 58 -3.534 8.548 -5.633 455 HB2 GLU 58 HB2 GLU 58 -3.043 6.208 -3.753 456 HB3 GLU 58 HB3 GLU 58 -4.333 6.213 -4.972 457 HG2 GLU 58 HG2 GLU 58 -1.411 6.725 -5.656 458 HG3 GLU 58 HG3 GLU 58 -2.163 5.118 -5.693 459 H GLY 59 H GLY 59 -3.409 9.273 -2.319 460 HA2 GLY 59 HA2 GLY 59 -5.098 10.555 -1.273 461 HA3 GLY 59 HA3 GLY 59 -6.313 9.841 -2.346 462 H TYR 60 H TYR 60 -4.192 7.419 -1.157 463 HA TYR 60 HA TYR 60 -6.139 6.783 1.012 464 HB2 TYR 60 HB2 TYR 60 -4.799 4.900 -0.954 465 HB3 TYR 60 HB3 TYR 60 -5.847 4.420 0.383 466 HD1 TYR 60 HD1 TYR 60 -5.707 5.780 -3.006 467 HD2 TYR 60 HD2 TYR 60 -8.266 4.904 0.334 468 HE1 TYR 60 HE1 TYR 60 -7.687 5.939 -4.491 469 HE2 TYR 60 HE2 TYR 60 -10.252 5.056 -1.140 470 HH TYR 60 HH TYR 60 -11.022 5.479 -3.258 471 H LYS 61 H LYS 61 -4.872 7.469 2.752 472 HA LYS 61 HA LYS 61 -2.082 6.775 3.017 473 HB2 LYS 61 HB2 LYS 61 -4.226 7.598 5.020 474 HB3 LYS 61 HB3 LYS 61 -2.502 7.411 5.421 475 HG2 LYS 61 HG2 LYS 61 -1.894 9.105 3.760 476 HG3 LYS 61 HG3 LYS 61 -3.595 9.275 3.272 477 HD2 LYS 61 HD2 LYS 61 -4.193 10.080 5.509 478 HD3 LYS 61 HD3 LYS 61 -2.518 9.836 6.066 479 HE2 LYS 61 HE2 LYS 61 -1.708 11.469 4.418 480 HE3 LYS 61 HE3 LYS 61 -3.356 11.688 3.795 481 HZ1 LYS 61 HZ1 LYS 61 -2.697 13.402 5.336 482 HZ2 LYS 61 HZ2 LYS 61 -3.999 12.560 5.894 483 HZ3 LYS 61 HZ3 LYS 61 -2.501 12.295 6.539 484 H ALA 62 H ALA 62 -1.343 5.336 4.918 485 HA ALA 62 HA ALA 62 -3.161 3.149 5.587 486 HB1 ALA 62 HB1 ALA 62 -2.415 2.507 3.329 487 HB2 ALA 62 HB2 ALA 62 -0.721 2.730 3.814 488 HB3 ALA 62 HB3 ALA 62 -1.695 1.431 4.549 489 H GLU 63 H GLU 63 -2.765 2.947 7.719 490 HA GLU 63 HA GLU 63 -0.330 3.785 8.978 491 HB2 GLU 63 HB2 GLU 63 -2.605 1.995 9.931 492 HB3 GLU 63 HB3 GLU 63 -1.321 2.645 10.966 493 HG2 GLU 63 HG2 GLU 63 -2.035 4.950 10.404 494 HG3 GLU 63 HG3 GLU 63 -3.333 4.292 9.386 495 H VAL 64 H VAL 64 1.594 2.728 9.003 496 HA VAL 64 HA VAL 64 1.945 0.013 8.199 497 HB VAL 64 HB VAL 64 4.187 0.311 9.331 498 HG11 VAL 64 HG11 VAL 64 3.790 0.824 6.953 499 HG12 VAL 64 HG12 VAL 64 3.283 2.473 7.388 500 HG13 VAL 64 HG13 VAL 64 4.962 1.957 7.668 501 HG21 VAL 64 HG21 VAL 64 3.132 3.138 9.797 502 HG22 VAL 64 HG22 VAL 64 3.530 1.960 11.068 503 HG23 VAL 64 HG23 VAL 64 4.810 2.602 10.021 504 H LEU 65 H LEU 65 1.052 -1.684 9.249 505 HA LEU 65 HA LEU 65 0.364 -1.464 12.078 506 HB2 LEU 65 HB2 LEU 65 0.202 -3.814 10.143 507 HB3 LEU 65 HB3 LEU 65 -0.503 -3.761 11.766 508 HG LEU 65 HG LEU 65 -1.246 -1.878 9.476 509 HD11 LEU 65 HD11 LEU 65 -3.496 -3.233 10.012 510 HD12 LEU 65 HD12 LEU 65 -2.275 -3.882 8.869 511 HD13 LEU 65 HD13 LEU 65 -2.353 -4.461 10.549 512 HD21 LEU 65 HD21 LEU 65 -1.493 -0.835 11.699 513 HD22 LEU 65 HD22 LEU 65 -3.084 -1.226 11.018 514 HD23 LEU 65 HD23 LEU 65 -2.382 -2.265 12.281 515 H ALA 66 H ALA 66 3.185 -1.189 11.451 516 HA ALA 66 HA ALA 66 4.224 -3.475 13.028 517 HB1 ALA 66 HB1 ALA 66 4.790 -3.919 10.675 518 HB2 ALA 66 HB2 ALA 66 5.482 -2.287 10.523 519 HB3 ALA 66 HB3 ALA 66 6.250 -3.481 11.595 Start of MODEL 16 1 H1 MET 1 H MET 1 10.588 -3.003 9.669 2 HA MET 1 HA MET 1 9.568 -3.294 7.470 3 HB2 MET 1 HB2 MET 1 9.655 -5.166 9.139 4 HB3 MET 1 HB3 MET 1 7.988 -4.770 9.606 5 HG2 MET 1 HG2 MET 1 7.222 -5.210 7.334 6 HG3 MET 1 HG3 MET 1 8.884 -5.434 6.771 7 HE1 MET 1 HE1 MET 1 9.310 -7.700 5.946 8 HE2 MET 1 HE2 MET 1 10.401 -7.442 7.328 9 HE3 MET 1 HE3 MET 1 9.586 -9.009 7.121 10 H LEU 2 H LEU 2 7.375 -3.560 6.327 11 HA LEU 2 HA LEU 2 5.584 -1.384 7.298 12 HB2 LEU 2 HB2 LEU 2 6.203 -2.275 4.460 13 HB3 LEU 2 HB3 LEU 2 5.117 -0.947 4.920 14 HG LEU 2 HG LEU 2 8.086 -1.092 5.618 15 HD11 LEU 2 HD11 LEU 2 6.656 0.586 3.523 16 HD12 LEU 2 HD12 LEU 2 8.392 0.625 3.904 17 HD13 LEU 2 HD13 LEU 2 7.677 -0.834 3.183 18 HD21 LEU 2 HD21 LEU 2 6.040 1.157 5.859 19 HD22 LEU 2 HD22 LEU 2 6.752 0.247 7.214 20 HD23 LEU 2 HD23 LEU 2 7.777 1.292 6.212 21 H LYS 3 H LYS 3 3.351 -1.600 7.033 22 HA LYS 3 HA LYS 3 2.133 -4.097 6.138 23 HB2 LYS 3 HB2 LYS 3 2.996 -3.775 8.879 24 HB3 LYS 3 HB3 LYS 3 1.218 -3.717 8.830 25 HG2 LYS 3 HG2 LYS 3 1.107 -5.830 7.656 26 HG3 LYS 3 HG3 LYS 3 2.871 -5.838 7.423 27 HD2 LYS 3 HD2 LYS 3 3.175 -5.906 9.895 28 HD3 LYS 3 HD3 LYS 3 1.410 -6.049 10.086 29 HE2 LYS 3 HE2 LYS 3 1.408 -8.126 8.806 30 HE3 LYS 3 HE3 LYS 3 3.140 -7.964 8.455 31 HZ1 LYS 3 HZ1 LYS 3 2.099 -8.123 11.188 32 HZ2 LYS 3 HZ2 LYS 3 2.542 -9.464 10.315 33 HZ3 LYS 3 HZ3 LYS 3 3.648 -8.297 10.675 34 H LEU 4 H LEU 4 1.184 -2.457 4.725 35 HA LEU 4 HA LEU 4 0.245 0.011 5.945 36 HB2 LEU 4 HB2 LEU 4 0.638 -1.105 3.200 37 HB3 LEU 4 HB3 LEU 4 -0.602 0.149 3.387 38 HG LEU 4 HG LEU 4 1.044 1.621 4.521 39 HD11 LEU 4 HD11 LEU 4 3.017 -0.572 3.768 40 HD12 LEU 4 HD12 LEU 4 3.444 1.031 4.416 41 HD13 LEU 4 HD13 LEU 4 2.538 -0.120 5.420 42 HD21 LEU 4 HD21 LEU 4 0.672 1.772 2.074 43 HD22 LEU 4 HD22 LEU 4 2.355 2.156 2.500 44 HD23 LEU 4 HD23 LEU 4 1.953 0.566 1.810 45 H LYS 5 H LYS 5 -1.566 0.145 6.990 46 HA LYS 5 HA LYS 5 -3.941 -1.457 6.406 47 HB2 LYS 5 HB2 LYS 5 -3.322 -0.716 8.723 48 HB3 LYS 5 HB3 LYS 5 -3.431 0.969 8.182 49 HG2 LYS 5 HG2 LYS 5 -5.855 0.422 7.492 50 HG3 LYS 5 HG3 LYS 5 -5.684 -1.048 8.476 51 HD2 LYS 5 HD2 LYS 5 -5.179 0.303 10.455 52 HD3 LYS 5 HD3 LYS 5 -5.112 1.781 9.464 53 HE2 LYS 5 HE2 LYS 5 -7.515 1.421 8.829 54 HE3 LYS 5 HE3 LYS 5 -7.548 0.032 9.934 55 HZ1 LYS 5 HZ1 LYS 5 -6.659 1.841 11.565 56 HZ2 LYS 5 HZ2 LYS 5 -7.418 2.855 10.535 57 HZ3 LYS 5 HZ3 LYS 5 -8.289 1.670 11.269 58 H VAL 6 H VAL 6 -4.273 -0.837 4.133 59 HA VAL 6 HA VAL 6 -4.396 1.863 3.279 60 HB VAL 6 HB VAL 6 -5.874 -0.547 2.143 61 HG11 VAL 6 HG11 VAL 6 -4.844 2.029 0.874 62 HG12 VAL 6 HG12 VAL 6 -5.667 0.702 0.020 63 HG13 VAL 6 HG13 VAL 6 -6.549 1.665 1.228 64 HG21 VAL 6 HG21 VAL 6 -3.474 -1.048 2.440 65 HG22 VAL 6 HG22 VAL 6 -3.863 -0.829 0.721 66 HG23 VAL 6 HG23 VAL 6 -3.048 0.473 1.619 67 H GLU 7 H GLU 7 -5.708 3.354 4.133 68 HA GLU 7 HA GLU 7 -8.146 2.697 5.504 69 HB2 GLU 7 HB2 GLU 7 -6.515 4.631 5.937 70 HB3 GLU 7 HB3 GLU 7 -7.234 5.423 4.523 71 HG2 GLU 7 HG2 GLU 7 -8.341 6.212 6.550 72 HG3 GLU 7 HG3 GLU 7 -9.481 5.228 5.616 73 H GLY 8 H GLY 8 -10.300 3.218 4.893 74 HA2 GLY 8 HA2 GLY 8 -10.748 3.232 1.972 75 HA3 GLY 8 HA3 GLY 8 -11.920 2.801 3.234 76 H MET 9 H MET 9 -9.806 5.712 2.806 77 HA MET 9 HA MET 9 -11.903 7.460 3.695 78 HB2 MET 9 HB2 MET 9 -9.326 8.096 2.201 79 HB3 MET 9 HB3 MET 9 -10.368 9.261 3.044 80 HG2 MET 9 HG2 MET 9 -10.021 7.982 5.161 81 HG3 MET 9 HG3 MET 9 -8.915 6.908 4.296 82 HE1 MET 9 HE1 MET 9 -8.169 11.367 5.279 83 HE2 MET 9 HE2 MET 9 -9.392 10.848 4.096 84 HE3 MET 9 HE3 MET 9 -9.570 10.408 5.812 85 H THR 10 H THR 10 -10.881 6.233 0.523 86 HA THR 10 HA THR 10 -13.164 7.732 -0.650 87 HB THR 10 HB THR 10 -11.802 8.114 -2.686 88 HG1 THR 10 HG1 THR 10 -10.239 6.610 -2.603 89 HG21 THR 10 HG21 THR 10 -11.933 9.873 -0.941 90 HG22 THR 10 HG22 THR 10 -10.502 9.177 -0.141 91 HG23 THR 10 HG23 THR 10 -10.358 9.881 -1.767 92 H CYS 11 H CYS 11 -13.911 6.752 -2.710 93 HA CYS 11 HA CYS 11 -14.850 4.936 -3.719 94 HB2 CYS 11 HB2 CYS 11 -11.972 3.965 -3.597 95 HB3 CYS 11 HB3 CYS 11 -13.224 3.400 -4.725 96 HG CYS 11 HG CYS 11 -13.713 5.738 -5.781 97 H ASN 12 H ASN 12 -14.978 4.848 -0.767 98 HA ASN 12 HA ASN 12 -14.197 2.261 0.137 99 HB2 ASN 12 HB2 ASN 12 -15.486 2.789 2.112 100 HB3 ASN 12 HB3 ASN 12 -14.625 4.246 1.585 101 HD21 ASN 12 HD21 ASN 12 -18.619 4.337 2.039 102 HD22 ASN 12 HD22 ASN 12 -17.564 3.095 2.681 103 H HIS 13 H HIS 13 -16.938 3.309 -1.771 104 HA HIS 13 HA HIS 13 -18.456 0.871 -1.080 105 HB2 HIS 13 HB2 HIS 13 -19.062 3.157 -2.982 106 HB3 HIS 13 HB3 HIS 13 -20.137 1.791 -2.651 107 HD1 HIS 13 HD1 HIS 13 -21.473 1.853 -0.336 108 HD2 HIS 13 HD2 HIS 13 -18.790 5.024 -1.032 109 HE1 HIS 13 HE1 HIS 13 -21.980 3.644 1.413 110 H CYS 14 H CYS 14 -15.887 1.703 -3.043 111 HA CYS 14 HA CYS 14 -16.517 -0.464 -4.978 112 HB2 CYS 14 HB2 CYS 14 -15.076 2.165 -5.524 113 HB3 CYS 14 HB3 CYS 14 -15.324 0.847 -6.694 114 HG CYS 14 HG CYS 14 -16.950 2.828 -7.206 115 H VAL 15 H VAL 15 -14.021 -0.552 -6.225 116 HA VAL 15 HA VAL 15 -12.035 -0.747 -4.063 117 HB VAL 15 HB VAL 15 -13.200 -2.940 -4.155 118 HG11 VAL 15 HG11 VAL 15 -12.106 -3.056 -6.998 119 HG12 VAL 15 HG12 VAL 15 -12.912 -4.382 -6.131 120 HG13 VAL 15 HG13 VAL 15 -13.822 -2.913 -6.552 121 HG21 VAL 15 HG21 VAL 15 -10.375 -3.104 -5.262 122 HG22 VAL 15 HG22 VAL 15 -10.767 -2.703 -3.567 123 HG23 VAL 15 HG23 VAL 15 -11.207 -4.289 -4.237 124 H MET 16 H MET 16 -9.838 -0.868 -4.909 125 HA MET 16 HA MET 16 -9.552 -0.300 -7.804 126 HB2 MET 16 HB2 MET 16 -8.531 1.413 -5.511 127 HB3 MET 16 HB3 MET 16 -7.991 1.589 -7.189 128 HG2 MET 16 HG2 MET 16 -10.941 1.632 -6.767 129 HG3 MET 16 HG3 MET 16 -10.043 2.976 -6.065 130 HE1 MET 16 HE1 MET 16 -11.265 5.018 -8.112 131 HE2 MET 16 HE2 MET 16 -11.985 3.941 -9.318 132 HE3 MET 16 HE3 MET 16 -12.137 3.546 -7.589 133 H ALA 17 H ALA 17 -7.275 -0.547 -8.509 134 HA ALA 17 HA ALA 17 -5.990 -2.748 -7.085 135 HB1 ALA 17 HB1 ALA 17 -6.089 -2.693 -9.552 136 HB2 ALA 17 HB2 ALA 17 -5.177 -1.164 -9.561 137 HB3 ALA 17 HB3 ALA 17 -4.403 -2.659 -8.984 138 H VAL 18 H VAL 18 -5.346 -1.816 -5.075 139 HA VAL 18 HA VAL 18 -3.896 0.643 -4.920 140 HB VAL 18 HB VAL 18 -3.905 -1.717 -3.019 141 HG11 VAL 18 HG11 VAL 18 -2.355 0.518 -2.818 142 HG12 VAL 18 HG12 VAL 18 -3.813 1.083 -2.011 143 HG13 VAL 18 HG13 VAL 18 -2.996 -0.374 -1.404 144 HG21 VAL 18 HG21 VAL 18 -6.219 -0.796 -3.721 145 HG22 VAL 18 HG22 VAL 18 -5.860 -0.883 -1.972 146 HG23 VAL 18 HG23 VAL 18 -5.761 0.664 -2.840 147 H THR 19 H THR 19 -3.000 -2.651 -5.715 148 HA THR 19 HA THR 19 -0.373 -2.755 -4.890 149 HB THR 19 HB THR 19 -1.481 -3.852 -7.498 150 HG1 THR 19 HG1 THR 19 -1.901 -5.673 -6.066 151 HG21 THR 19 HG21 THR 19 0.685 -4.898 -5.624 152 HG22 THR 19 HG22 THR 19 0.182 -5.613 -7.168 153 HG23 THR 19 HG23 THR 19 1.005 -4.038 -7.152 154 H LYS 20 H LYS 20 -1.695 -1.097 -7.777 155 HA LYS 20 HA LYS 20 0.798 -0.695 -9.072 156 HB2 LYS 20 HB2 LYS 20 -1.776 0.929 -9.142 157 HB3 LYS 20 HB3 LYS 20 -0.416 1.120 -10.272 158 HG2 LYS 20 HG2 LYS 20 -0.633 -1.266 -10.922 159 HG3 LYS 20 HG3 LYS 20 -2.041 -1.425 -9.848 160 HD2 LYS 20 HD2 LYS 20 -3.241 0.295 -11.147 161 HD3 LYS 20 HD3 LYS 20 -1.818 0.509 -12.195 162 HE2 LYS 20 HE2 LYS 20 -1.967 -1.869 -12.876 163 HE3 LYS 20 HE3 LYS 20 -3.399 -2.073 -11.846 164 HZ1 LYS 20 HZ1 LYS 20 -3.987 -1.684 -14.121 165 HZ2 LYS 20 HZ2 LYS 20 -4.518 -0.444 -13.180 166 HZ3 LYS 20 HZ3 LYS 20 -3.187 -0.240 -14.133 167 H ALA 21 H ALA 21 -0.608 0.880 -6.247 168 HA ALA 21 HA ALA 21 1.074 3.251 -6.540 169 HB1 ALA 21 HB1 ALA 21 -0.592 2.231 -4.202 170 HB2 ALA 21 HB2 ALA 21 0.123 3.853 -4.354 171 HB3 ALA 21 HB3 ALA 21 -1.162 3.339 -5.473 172 H LEU 22 H LEU 22 1.307 0.055 -5.083 173 HA LEU 22 HA LEU 22 3.397 0.802 -3.188 174 HB2 LEU 22 HB2 LEU 22 2.217 -1.817 -4.196 175 HB3 LEU 22 HB3 LEU 22 3.610 -1.762 -3.112 176 HG LEU 22 HG LEU 22 1.654 -2.154 -1.804 177 HD11 LEU 22 HD11 LEU 22 3.433 -0.600 -0.923 178 HD12 LEU 22 HD12 LEU 22 2.393 0.760 -1.396 179 HD13 LEU 22 HD13 LEU 22 1.827 -0.400 -0.176 180 HD21 LEU 22 HD21 LEU 22 0.513 0.436 -2.915 181 HD22 LEU 22 HD22 LEU 22 -0.031 -1.211 -3.327 182 HD23 LEU 22 HD23 LEU 22 -0.223 -0.596 -1.671 183 H LYS 23 H LYS 23 3.206 -1.001 -6.291 184 HA LYS 23 HA LYS 23 5.910 -1.772 -6.296 185 HB2 LYS 23 HB2 LYS 23 3.919 -2.740 -7.531 186 HB3 LYS 23 HB3 LYS 23 4.147 -1.461 -8.743 187 HG2 LYS 23 HG2 LYS 23 6.417 -2.271 -9.205 188 HG3 LYS 23 HG3 LYS 23 6.310 -3.417 -7.847 189 HD2 LYS 23 HD2 LYS 23 4.377 -4.528 -8.978 190 HD3 LYS 23 HD3 LYS 23 4.622 -3.462 -10.384 191 HE2 LYS 23 HE2 LYS 23 6.905 -4.338 -10.663 192 HE3 LYS 23 HE3 LYS 23 6.719 -5.335 -9.206 193 HZ1 LYS 23 HZ1 LYS 23 5.164 -5.599 -11.685 194 HZ2 LYS 23 HZ2 LYS 23 6.344 -6.620 -11.153 195 HZ3 LYS 23 HZ3 LYS 23 4.933 -6.490 -10.316 196 H LYS 24 H LYS 24 4.500 1.311 -7.281 197 HA LYS 24 HA LYS 24 6.578 1.950 -9.169 198 HB2 LYS 24 HB2 LYS 24 4.560 3.634 -7.645 199 HB3 LYS 24 HB3 LYS 24 5.653 4.285 -8.888 200 HG2 LYS 24 HG2 LYS 24 4.729 2.792 -10.573 201 HG3 LYS 24 HG3 LYS 24 3.722 1.977 -9.357 202 HD2 LYS 24 HD2 LYS 24 2.518 4.091 -8.921 203 HD3 LYS 24 HD3 LYS 24 3.525 4.920 -10.131 204 HE2 LYS 24 HE2 LYS 24 2.681 3.431 -11.890 205 HE3 LYS 24 HE3 LYS 24 1.733 2.522 -10.695 206 HZ1 LYS 24 HZ1 LYS 24 1.369 5.370 -11.319 207 HZ2 LYS 24 HZ2 LYS 24 0.417 4.144 -11.877 208 HZ3 LYS 24 HZ3 LYS 24 0.471 4.480 -10.264 209 H VAL 25 H VAL 25 6.539 1.898 -5.688 210 HA VAL 25 HA VAL 25 8.411 4.081 -5.350 211 HB VAL 25 HB VAL 25 7.437 1.818 -3.583 212 HG11 VAL 25 HG11 VAL 25 8.498 3.038 -1.701 213 HG12 VAL 25 HG12 VAL 25 9.703 2.418 -2.851 214 HG13 VAL 25 HG13 VAL 25 9.266 4.144 -2.863 215 HG21 VAL 25 HG21 VAL 25 6.981 4.811 -3.350 216 HG22 VAL 25 HG22 VAL 25 5.897 3.742 -4.291 217 HG23 VAL 25 HG23 VAL 25 6.105 3.507 -2.542 218 HA PRO 26 HA PRO 26 12.027 1.936 -6.747 219 HB2 PRO 26 HB2 PRO 26 13.283 3.767 -4.701 220 HB3 PRO 26 HB3 PRO 26 13.824 3.424 -6.379 221 HG2 PRO 26 HG2 PRO 26 12.496 5.717 -5.841 222 HG3 PRO 26 HG3 PRO 26 12.050 4.750 -7.290 223 HD2 PRO 26 HD2 PRO 26 10.670 4.843 -4.601 224 HD3 PRO 26 HD3 PRO 26 9.953 4.849 -6.244 225 H GLY 27 H GLY 27 13.182 0.148 -6.047 226 HA2 GLY 27 HA2 GLY 27 14.327 -1.186 -4.491 227 HA3 GLY 27 HA3 GLY 27 13.555 -0.305 -3.158 228 H VAL 28 H VAL 28 10.885 -0.614 -4.723 229 HA VAL 28 HA VAL 28 10.113 -3.112 -3.428 230 HB VAL 28 HB VAL 28 8.638 -1.083 -5.155 231 HG11 VAL 28 HG11 VAL 28 7.617 -3.301 -5.410 232 HG12 VAL 28 HG12 VAL 28 7.563 -3.489 -3.640 233 HG13 VAL 28 HG13 VAL 28 6.580 -2.239 -4.427 234 HG21 VAL 28 HG21 VAL 28 8.563 -1.684 -2.165 235 HG22 VAL 28 HG22 VAL 28 9.297 -0.251 -2.924 236 HG23 VAL 28 HG23 VAL 28 7.539 -0.500 -3.007 237 H GLU 29 H GLU 29 9.962 -5.074 -4.406 238 HA GLU 29 HA GLU 29 10.218 -5.155 -7.380 239 HB2 GLU 29 HB2 GLU 29 12.336 -5.792 -6.278 240 HB3 GLU 29 HB3 GLU 29 11.465 -6.988 -5.294 241 HG2 GLU 29 HG2 GLU 29 10.736 -8.128 -7.403 242 HG3 GLU 29 HG3 GLU 29 11.729 -6.985 -8.329 243 H LYS 30 H LYS 30 8.836 -6.445 -4.379 244 HA LYS 30 HA LYS 30 6.777 -7.792 -6.034 245 HB2 LYS 30 HB2 LYS 30 8.210 -8.975 -3.625 246 HB3 LYS 30 HB3 LYS 30 6.769 -9.674 -4.402 247 HG2 LYS 30 HG2 LYS 30 7.989 -9.852 -6.538 248 HG3 LYS 30 HG3 LYS 30 9.433 -9.138 -5.786 249 HD2 LYS 30 HD2 LYS 30 9.565 -11.038 -4.204 250 HD3 LYS 30 HD3 LYS 30 8.094 -11.727 -4.932 251 HE2 LYS 30 HE2 LYS 30 9.471 -12.824 -6.330 252 HE3 LYS 30 HE3 LYS 30 9.673 -11.267 -7.155 253 HZ1 LYS 30 HZ1 LYS 30 11.368 -12.314 -4.986 254 HZ2 LYS 30 HZ2 LYS 30 11.766 -12.276 -6.586 255 HZ3 LYS 30 HZ3 LYS 30 11.579 -10.870 -5.751 256 H VAL 31 H VAL 31 4.710 -7.882 -5.100 257 HA VAL 31 HA VAL 31 4.289 -6.487 -2.536 258 HB VAL 31 HB VAL 31 3.005 -5.656 -5.173 259 HG11 VAL 31 HG11 VAL 31 1.462 -5.523 -3.226 260 HG12 VAL 31 HG12 VAL 31 2.649 -4.518 -2.370 261 HG13 VAL 31 HG13 VAL 31 1.884 -3.917 -3.859 262 HG21 VAL 31 HG21 VAL 31 4.128 -3.484 -4.764 263 HG22 VAL 31 HG22 VAL 31 4.939 -4.180 -3.341 264 HG23 VAL 31 HG23 VAL 31 5.299 -4.802 -4.970 265 H GLU 32 H GLU 32 2.335 -7.084 -1.550 266 HA GLU 32 HA GLU 32 0.481 -8.823 -3.023 267 HB2 GLU 32 HB2 GLU 32 2.159 -10.381 -2.047 268 HB3 GLU 32 HB3 GLU 32 1.865 -9.657 -0.453 269 HG2 GLU 32 HG2 GLU 32 0.328 -11.288 -0.208 270 HG3 GLU 32 HG3 GLU 32 -0.705 -10.264 -1.217 271 H VAL 33 H VAL 33 -1.495 -8.023 -2.636 272 HA VAL 33 HA VAL 33 -2.000 -6.846 0.047 273 HB VAL 33 HB VAL 33 -3.163 -4.991 -0.949 274 HG11 VAL 33 HG11 VAL 33 -0.574 -5.404 -2.503 275 HG12 VAL 33 HG12 VAL 33 -1.354 -3.851 -2.132 276 HG13 VAL 33 HG13 VAL 33 -0.656 -4.834 -0.822 277 HG21 VAL 33 HG21 VAL 33 -2.565 -6.307 -3.633 278 HG22 VAL 33 HG22 VAL 33 -4.168 -6.148 -2.875 279 HG23 VAL 33 HG23 VAL 33 -3.292 -4.699 -3.409 280 H SER 34 H SER 34 -4.252 -6.859 0.685 281 HA SER 34 HA SER 34 -5.951 -8.701 -0.921 282 HB2 SER 34 HB2 SER 34 -5.099 -10.044 0.881 283 HB3 SER 34 HB3 SER 34 -5.441 -8.776 2.070 284 HG SER 34 HG SER 34 -7.046 -10.448 1.970 285 H LEU 35 H LEU 35 -7.323 -7.275 -1.763 286 HA LEU 35 HA LEU 35 -7.977 -4.778 -0.616 287 HB2 LEU 35 HB2 LEU 35 -9.363 -6.445 -2.744 288 HB3 LEU 35 HB3 LEU 35 -9.663 -4.718 -2.454 289 HG LEU 35 HG LEU 35 -6.907 -5.863 -3.120 290 HD11 LEU 35 HD11 LEU 35 -8.077 -6.267 -5.104 291 HD12 LEU 35 HD12 LEU 35 -9.157 -4.855 -4.877 292 HD13 LEU 35 HD13 LEU 35 -7.457 -4.635 -5.355 293 HD21 LEU 35 HD21 LEU 35 -6.411 -3.499 -3.654 294 HD22 LEU 35 HD22 LEU 35 -8.055 -3.038 -3.158 295 HD23 LEU 35 HD23 LEU 35 -6.906 -3.677 -1.958 296 H GLU 36 H GLU 36 -9.240 -7.939 0.139 297 HA GLU 36 HA GLU 36 -11.901 -7.027 0.822 298 HB2 GLU 36 HB2 GLU 36 -10.325 -9.521 1.568 299 HB3 GLU 36 HB3 GLU 36 -12.044 -9.256 1.936 300 HG2 GLU 36 HG2 GLU 36 -12.513 -8.977 -0.485 301 HG3 GLU 36 HG3 GLU 36 -10.804 -9.302 -0.845 302 H LYS 37 H LYS 37 -8.825 -7.447 2.625 303 HA LYS 37 HA LYS 37 -10.249 -6.529 5.060 304 HB2 LYS 37 HB2 LYS 37 -7.634 -8.024 4.745 305 HB3 LYS 37 HB3 LYS 37 -8.273 -7.415 6.287 306 HG2 LYS 37 HG2 LYS 37 -10.306 -8.759 6.001 307 HG3 LYS 37 HG3 LYS 37 -9.742 -9.315 4.408 308 HD2 LYS 37 HD2 LYS 37 -7.795 -10.398 5.450 309 HD3 LYS 37 HD3 LYS 37 -8.312 -9.819 7.052 310 HE2 LYS 37 HE2 LYS 37 -10.407 -11.093 6.856 311 HE3 LYS 37 HE3 LYS 37 -9.945 -11.637 5.230 312 HZ1 LYS 37 HZ1 LYS 37 -9.475 -13.266 6.922 313 HZ2 LYS 37 HZ2 LYS 37 -8.094 -12.769 6.175 314 HZ3 LYS 37 HZ3 LYS 37 -8.453 -12.224 7.691 315 H GLY 38 H GLY 38 -8.316 -5.333 2.559 316 HA2 GLY 38 HA2 GLY 38 -7.616 -3.167 2.268 317 HA3 GLY 38 HA3 GLY 38 -8.120 -2.797 3.921 318 H GLU 39 H GLU 39 -5.848 -5.473 3.436 319 HA GLU 39 HA GLU 39 -3.727 -3.785 4.676 320 HB2 GLU 39 HB2 GLU 39 -3.906 -6.804 4.260 321 HB3 GLU 39 HB3 GLU 39 -2.620 -5.938 5.107 322 HG2 GLU 39 HG2 GLU 39 -4.269 -5.086 6.751 323 HG3 GLU 39 HG3 GLU 39 -5.550 -6.003 5.936 324 H ALA 40 H ALA 40 -1.587 -3.857 3.803 325 HA ALA 40 HA ALA 40 -1.277 -4.866 1.054 326 HB1 ALA 40 HB1 ALA 40 -2.125 -2.578 0.757 327 HB2 ALA 40 HB2 ALA 40 -0.881 -1.955 1.864 328 HB3 ALA 40 HB3 ALA 40 -0.408 -2.660 0.301 329 H LEU 41 H LEU 41 0.445 -6.139 1.285 330 HA LEU 41 HA LEU 41 2.656 -5.312 3.092 331 HB2 LEU 41 HB2 LEU 41 1.982 -8.009 1.832 332 HB3 LEU 41 HB3 LEU 41 3.322 -7.679 2.928 333 HG LEU 41 HG LEU 41 1.675 -8.730 4.241 334 HD11 LEU 41 HD11 LEU 41 1.544 -5.717 4.650 335 HD12 LEU 41 HD12 LEU 41 0.850 -6.901 5.791 336 HD13 LEU 41 HD13 LEU 41 2.598 -6.885 5.460 337 HD21 LEU 41 HD21 LEU 41 -0.654 -8.134 4.330 338 HD22 LEU 41 HD22 LEU 41 -0.408 -6.749 3.254 339 HD23 LEU 41 HD23 LEU 41 -0.207 -8.407 2.633 340 H VAL 42 H VAL 42 4.838 -5.495 2.325 341 HA VAL 42 HA VAL 42 5.129 -5.816 -0.608 342 HB VAL 42 HB VAL 42 6.731 -3.963 -0.656 343 HG11 VAL 42 HG11 VAL 42 5.135 -2.213 -0.729 344 HG12 VAL 42 HG12 VAL 42 4.227 -3.692 -1.066 345 HG13 VAL 42 HG13 VAL 42 4.132 -2.960 0.552 346 HG21 VAL 42 HG21 VAL 42 5.852 -3.443 2.216 347 HG22 VAL 42 HG22 VAL 42 7.458 -4.010 1.703 348 HG23 VAL 42 HG23 VAL 42 6.900 -2.389 1.237 349 H GLU 43 H GLU 43 7.382 -6.404 -1.199 350 HA GLU 43 HA GLU 43 8.986 -7.410 1.083 351 HB2 GLU 43 HB2 GLU 43 7.558 -9.250 0.184 352 HB3 GLU 43 HB3 GLU 43 8.316 -9.025 -1.407 353 HG2 GLU 43 HG2 GLU 43 10.529 -9.524 -0.411 354 HG3 GLU 43 HG3 GLU 43 9.771 -9.721 1.181 355 H GLY 44 H GLY 44 10.220 -5.459 0.621 356 HA2 GLY 44 HA2 GLY 44 12.196 -5.866 -1.508 357 HA3 GLY 44 HA3 GLY 44 11.182 -4.416 -1.654 358 H THR 45 H THR 45 13.483 -3.486 -1.473 359 HA THR 45 HA THR 45 14.249 -3.181 1.390 360 HB THR 45 HB THR 45 16.502 -2.690 0.514 361 HG1 THR 45 HG1 THR 45 16.470 -2.085 -1.502 362 HG21 THR 45 HG21 THR 45 15.476 -5.069 0.990 363 HG22 THR 45 HG22 THR 45 15.616 -5.276 -0.757 364 HG23 THR 45 HG23 THR 45 17.078 -4.939 0.198 365 H ALA 46 H ALA 46 12.147 -1.634 -0.111 366 HA ALA 46 HA ALA 46 13.335 0.947 -0.698 367 HB1 ALA 46 HB1 ALA 46 11.002 1.658 -0.938 368 HB2 ALA 46 HB2 ALA 46 11.249 0.100 -1.759 369 HB3 ALA 46 HB3 ALA 46 10.442 0.146 -0.175 370 H ASP 47 H ASP 47 12.378 2.956 0.532 371 HA ASP 47 HA ASP 47 12.844 2.397 3.393 372 HB2 ASP 47 HB2 ASP 47 14.208 4.036 1.948 373 HB3 ASP 47 HB3 ASP 47 12.806 5.116 2.069 374 HA PRO 48 HA PRO 48 8.693 2.764 4.558 375 HB2 PRO 48 HB2 PRO 48 9.840 4.463 6.782 376 HB3 PRO 48 HB3 PRO 48 8.592 3.176 6.895 377 HG2 PRO 48 HG2 PRO 48 11.148 2.591 7.515 378 HG3 PRO 48 HG3 PRO 48 10.228 1.472 6.450 379 HD2 PRO 48 HD2 PRO 48 12.274 3.548 5.674 380 HD3 PRO 48 HD3 PRO 48 12.042 1.890 5.038 381 H LYS 49 H LYS 49 10.482 5.922 4.567 382 HA LYS 49 HA LYS 49 8.080 7.475 4.811 383 HB2 LYS 49 HB2 LYS 49 9.648 9.257 3.662 384 HB3 LYS 49 HB3 LYS 49 9.999 8.703 5.312 385 HG2 LYS 49 HG2 LYS 49 11.691 7.183 4.556 386 HG3 LYS 49 HG3 LYS 49 11.248 7.444 2.852 387 HD2 LYS 49 HD2 LYS 49 11.875 9.844 3.093 388 HD3 LYS 49 HD3 LYS 49 12.449 9.508 4.745 389 HE2 LYS 49 HE2 LYS 49 14.074 7.888 3.877 390 HE3 LYS 49 HE3 LYS 49 13.426 8.081 2.236 391 HZ1 LYS 49 HZ1 LYS 49 14.749 10.178 3.808 392 HZ2 LYS 49 HZ2 LYS 49 15.401 9.359 2.533 393 HZ3 LYS 49 HZ3 LYS 49 14.116 10.368 2.298 394 H ALA 50 H ALA 50 9.459 5.730 2.110 395 HA ALA 50 HA ALA 50 8.221 7.532 0.156 396 HB1 ALA 50 HB1 ALA 50 10.435 6.519 -0.261 397 HB2 ALA 50 HB2 ALA 50 9.707 4.897 -0.177 398 HB3 ALA 50 HB3 ALA 50 9.247 6.012 -1.484 399 H LEU 51 H LEU 51 7.632 4.286 1.576 400 HA LEU 51 HA LEU 51 5.715 3.562 -0.406 401 HB2 LEU 51 HB2 LEU 51 7.014 2.117 1.382 402 HB3 LEU 51 HB3 LEU 51 5.626 2.504 2.417 403 HG LEU 51 HG LEU 51 4.158 1.705 0.445 404 HD11 LEU 51 HD11 LEU 51 5.309 0.131 -1.119 405 HD12 LEU 51 HD12 LEU 51 5.954 1.776 -1.278 406 HD13 LEU 51 HD13 LEU 51 6.868 0.549 -0.377 407 HD21 LEU 51 HD21 LEU 51 4.639 0.393 2.542 408 HD22 LEU 51 HD22 LEU 51 4.341 -0.622 1.109 409 HD23 LEU 51 HD23 LEU 51 6.001 -0.368 1.693 410 H VAL 52 H VAL 52 5.340 4.821 2.952 411 HA VAL 52 HA VAL 52 2.493 4.826 2.862 412 HB VAL 52 HB VAL 52 4.409 6.433 4.601 413 HG11 VAL 52 HG11 VAL 52 2.082 7.250 4.738 414 HG12 VAL 52 HG12 VAL 52 1.507 5.588 5.009 415 HG13 VAL 52 HG13 VAL 52 2.528 6.387 6.226 416 HG21 VAL 52 HG21 VAL 52 4.125 4.557 6.195 417 HG22 VAL 52 HG22 VAL 52 3.148 3.685 4.992 418 HG23 VAL 52 HG23 VAL 52 4.871 4.007 4.679 419 H GLN 53 H GLN 53 4.897 7.103 1.632 420 HA GLN 53 HA GLN 53 2.934 9.282 1.544 421 HB2 GLN 53 HB2 GLN 53 5.371 9.652 1.974 422 HB3 GLN 53 HB3 GLN 53 5.718 9.078 0.326 423 HG2 GLN 53 HG2 GLN 53 4.287 10.887 -0.591 424 HG3 GLN 53 HG3 GLN 53 3.940 11.444 1.059 425 HE21 GLN 53 HE21 GLN 53 6.878 13.275 -0.688 426 HE22 GLN 53 HE22 GLN 53 5.347 12.726 -1.331 427 H ALA 54 H ALA 54 4.386 6.848 -0.621 428 HA ALA 54 HA ALA 54 3.485 7.940 -3.070 429 HB1 ALA 54 HB1 ALA 54 3.780 5.619 -3.909 430 HB2 ALA 54 HB2 ALA 54 5.160 6.169 -2.931 431 HB3 ALA 54 HB3 ALA 54 3.961 5.059 -2.229 432 H VAL 55 H VAL 55 1.898 5.624 -0.782 433 HA VAL 55 HA VAL 55 -0.382 5.270 -2.503 434 HB VAL 55 HB VAL 55 -1.398 4.227 -0.491 435 HG11 VAL 55 HG11 VAL 55 0.223 2.396 -0.298 436 HG12 VAL 55 HG12 VAL 55 0.099 2.948 -1.983 437 HG13 VAL 55 HG13 VAL 55 1.495 3.429 -0.988 438 HG21 VAL 55 HG21 VAL 55 -0.422 5.716 1.236 439 HG22 VAL 55 HG22 VAL 55 -0.063 4.009 1.570 440 HG23 VAL 55 HG23 VAL 55 1.194 5.062 0.883 441 H GLU 56 H GLU 56 0.555 7.704 -0.141 442 HA GLU 56 HA GLU 56 -2.120 8.688 0.309 443 HB2 GLU 56 HB2 GLU 56 -0.207 9.024 1.854 444 HB3 GLU 56 HB3 GLU 56 0.608 10.012 0.621 445 HG2 GLU 56 HG2 GLU 56 -1.257 11.620 0.670 446 HG3 GLU 56 HG3 GLU 56 -2.104 10.623 1.868 447 H GLU 57 H GLU 57 0.287 9.009 -2.215 448 HA GLU 57 HA GLU 57 -0.653 11.498 -3.300 449 HB2 GLU 57 HB2 GLU 57 1.575 10.395 -3.753 450 HB3 GLU 57 HB3 GLU 57 0.716 9.186 -4.734 451 HG2 GLU 57 HG2 GLU 57 -0.129 10.972 -6.210 452 HG3 GLU 57 HG3 GLU 57 0.666 12.197 -5.201 453 H GLU 58 H GLU 58 -1.770 8.177 -3.346 454 HA GLU 58 HA GLU 58 -3.580 8.688 -5.620 455 HB2 GLU 58 HB2 GLU 58 -3.035 6.235 -3.898 456 HB3 GLU 58 HB3 GLU 58 -4.177 6.281 -5.259 457 HG2 GLU 58 HG2 GLU 58 -1.197 6.887 -5.435 458 HG3 GLU 58 HG3 GLU 58 -1.966 5.369 -5.930 459 H GLY 59 H GLY 59 -3.491 9.247 -2.300 460 HA2 GLY 59 HA2 GLY 59 -5.255 10.315 -1.162 461 HA3 GLY 59 HA3 GLY 59 -6.428 9.562 -2.258 462 H TYR 60 H TYR 60 -4.142 7.226 -1.277 463 HA TYR 60 HA TYR 60 -6.039 6.284 0.821 464 HB2 TYR 60 HB2 TYR 60 -4.276 4.703 -1.079 465 HB3 TYR 60 HB3 TYR 60 -5.382 4.025 0.122 466 HD1 TYR 60 HD1 TYR 60 -5.061 5.551 -3.177 467 HD2 TYR 60 HD2 TYR 60 -7.839 4.220 -0.184 468 HE1 TYR 60 HE1 TYR 60 -6.880 5.591 -4.862 469 HE2 TYR 60 HE2 TYR 60 -9.666 4.239 -1.857 470 HH TYR 60 HH TYR 60 -10.244 4.646 -4.051 471 H LYS 61 H LYS 61 -4.934 7.247 2.597 472 HA LYS 61 HA LYS 61 -2.109 6.833 3.036 473 HB2 LYS 61 HB2 LYS 61 -4.415 7.525 4.906 474 HB3 LYS 61 HB3 LYS 61 -2.696 7.563 5.366 475 HG2 LYS 61 HG2 LYS 61 -2.231 9.243 3.652 476 HG3 LYS 61 HG3 LYS 61 -3.907 9.158 3.069 477 HD2 LYS 61 HD2 LYS 61 -4.725 9.967 5.249 478 HD3 LYS 61 HD3 LYS 61 -3.052 10.052 5.856 479 HE2 LYS 61 HE2 LYS 61 -2.477 11.698 4.136 480 HE3 LYS 61 HE3 LYS 61 -4.089 11.546 3.411 481 HZ1 LYS 61 HZ1 LYS 61 -3.925 13.467 4.801 482 HZ2 LYS 61 HZ2 LYS 61 -5.019 12.407 5.425 483 HZ3 LYS 61 HZ3 LYS 61 -3.527 12.552 6.113 484 H ALA 62 H ALA 62 -1.311 5.508 4.983 485 HA ALA 62 HA ALA 62 -3.000 3.240 5.686 486 HB1 ALA 62 HB1 ALA 62 -2.191 2.565 3.468 487 HB2 ALA 62 HB2 ALA 62 -0.515 2.887 3.966 488 HB3 ALA 62 HB3 ALA 62 -1.437 1.569 4.734 489 H GLU 63 H GLU 63 -2.651 3.007 7.787 490 HA GLU 63 HA GLU 63 -0.258 3.925 9.111 491 HB2 GLU 63 HB2 GLU 63 -2.562 2.164 10.053 492 HB3 GLU 63 HB3 GLU 63 -1.326 2.889 11.098 493 HG2 GLU 63 HG2 GLU 63 -2.057 5.146 10.410 494 HG3 GLU 63 HG3 GLU 63 -3.297 4.428 9.361 495 H VAL 64 H VAL 64 1.675 2.826 8.902 496 HA VAL 64 HA VAL 64 1.929 0.051 8.345 497 HB VAL 64 HB VAL 64 4.250 0.391 9.188 498 HG11 VAL 64 HG11 VAL 64 3.660 1.016 6.882 499 HG12 VAL 64 HG12 VAL 64 3.175 2.637 7.433 500 HG13 VAL 64 HG13 VAL 64 4.876 2.132 7.546 501 HG21 VAL 64 HG21 VAL 64 3.246 3.182 9.896 502 HG22 VAL 64 HG22 VAL 64 3.768 1.935 11.054 503 HG23 VAL 64 HG23 VAL 64 4.941 2.646 9.928 504 H LEU 65 H LEU 65 1.905 -1.746 9.700 505 HA LEU 65 HA LEU 65 0.931 -1.214 12.438 506 HB2 LEU 65 HB2 LEU 65 1.148 -3.796 10.848 507 HB3 LEU 65 HB3 LEU 65 0.408 -3.627 12.448 508 HG LEU 65 HG LEU 65 -0.530 -2.216 9.915 509 HD11 LEU 65 HD11 LEU 65 -1.705 -4.503 11.550 510 HD12 LEU 65 HD12 LEU 65 -2.495 -3.704 10.171 511 HD13 LEU 65 HD13 LEU 65 -0.996 -4.631 9.922 512 HD21 LEU 65 HD21 LEU 65 -0.959 -0.857 11.927 513 HD22 LEU 65 HD22 LEU 65 -2.470 -1.554 11.313 514 HD23 LEU 65 HD23 LEU 65 -1.678 -2.269 12.739 515 H ALA 66 H ALA 66 3.755 -0.663 11.835 516 HA ALA 66 HA ALA 66 4.876 -2.346 13.963 517 HB1 ALA 66 HB1 ALA 66 5.491 -3.544 11.870 518 HB2 ALA 66 HB2 ALA 66 6.251 -2.051 11.261 519 HB3 ALA 66 HB3 ALA 66 6.909 -2.861 12.698 Start of MODEL 17 1 H1 MET 1 H MET 1 10.582 -3.772 9.708 2 HA MET 1 HA MET 1 9.765 -3.232 7.477 3 HB2 MET 1 HB2 MET 1 9.851 -5.630 8.378 4 HB3 MET 1 HB3 MET 1 8.089 -5.509 8.570 5 HG2 MET 1 HG2 MET 1 7.874 -4.993 6.163 6 HG3 MET 1 HG3 MET 1 9.636 -5.023 5.996 7 HE1 MET 1 HE1 MET 1 9.713 -6.463 4.137 8 HE2 MET 1 HE2 MET 1 9.215 -8.177 4.033 9 HE3 MET 1 HE3 MET 1 8.004 -6.876 3.935 10 H LEU 2 H LEU 2 7.800 -2.960 6.087 11 HA LEU 2 HA LEU 2 5.871 -1.264 7.536 12 HB2 LEU 2 HB2 LEU 2 6.383 -1.742 4.575 13 HB3 LEU 2 HB3 LEU 2 5.307 -0.495 5.249 14 HG LEU 2 HG LEU 2 8.279 -0.715 5.916 15 HD11 LEU 2 HD11 LEU 2 6.901 1.133 3.941 16 HD12 LEU 2 HD12 LEU 2 8.618 1.179 4.400 17 HD13 LEU 2 HD13 LEU 2 7.978 -0.222 3.517 18 HD21 LEU 2 HD21 LEU 2 6.868 0.473 7.582 19 HD22 LEU 2 HD22 LEU 2 7.966 1.587 6.741 20 HD23 LEU 2 HD23 LEU 2 6.247 1.526 6.289 21 H LYS 3 H LYS 3 3.588 -1.447 7.213 22 HA LYS 3 HA LYS 3 2.478 -3.977 6.212 23 HB2 LYS 3 HB2 LYS 3 3.308 -3.552 8.972 24 HB3 LYS 3 HB3 LYS 3 1.541 -3.712 8.892 25 HG2 LYS 3 HG2 LYS 3 1.681 -5.852 7.812 26 HG3 LYS 3 HG3 LYS 3 3.421 -5.641 7.503 27 HD2 LYS 3 HD2 LYS 3 3.809 -5.572 9.976 28 HD3 LYS 3 HD3 LYS 3 2.096 -5.991 10.221 29 HE2 LYS 3 HE2 LYS 3 2.403 -8.071 8.975 30 HE3 LYS 3 HE3 LYS 3 4.078 -7.639 8.582 31 HZ1 LYS 3 HZ1 LYS 3 3.129 -7.923 11.340 32 HZ2 LYS 3 HZ2 LYS 3 3.767 -9.186 10.476 33 HZ3 LYS 3 HZ3 LYS 3 4.676 -7.853 10.806 34 H LEU 4 H LEU 4 1.378 -2.382 4.808 35 HA LEU 4 HA LEU 4 0.403 0.049 6.084 36 HB2 LEU 4 HB2 LEU 4 0.781 -1.031 3.315 37 HB3 LEU 4 HB3 LEU 4 -0.443 0.231 3.543 38 HG LEU 4 HG LEU 4 1.227 1.676 4.663 39 HD11 LEU 4 HD11 LEU 4 3.165 -0.547 3.906 40 HD12 LEU 4 HD12 LEU 4 3.623 1.061 4.523 41 HD13 LEU 4 HD13 LEU 4 2.715 -0.059 5.558 42 HD21 LEU 4 HD21 LEU 4 0.844 1.838 2.219 43 HD22 LEU 4 HD22 LEU 4 2.536 2.196 2.632 44 HD23 LEU 4 HD23 LEU 4 2.104 0.614 1.941 45 H LYS 5 H LYS 5 -1.369 -0.083 7.269 46 HA LYS 5 HA LYS 5 -3.759 -1.569 6.446 47 HB2 LYS 5 HB2 LYS 5 -3.128 -1.246 8.848 48 HB3 LYS 5 HB3 LYS 5 -3.226 0.508 8.613 49 HG2 LYS 5 HG2 LYS 5 -5.653 0.120 7.858 50 HG3 LYS 5 HG3 LYS 5 -5.492 -1.515 8.543 51 HD2 LYS 5 HD2 LYS 5 -4.923 -0.556 10.733 52 HD3 LYS 5 HD3 LYS 5 -4.888 1.080 10.035 53 HE2 LYS 5 HE2 LYS 5 -7.286 0.858 9.433 54 HE3 LYS 5 HE3 LYS 5 -7.325 -0.733 10.219 55 HZ1 LYS 5 HZ1 LYS 5 -6.682 1.818 11.533 56 HZ2 LYS 5 HZ2 LYS 5 -8.109 0.998 11.657 57 HZ3 LYS 5 HZ3 LYS 5 -6.728 0.343 12.269 58 H VAL 6 H VAL 6 -4.100 -0.576 4.319 59 HA VAL 6 HA VAL 6 -4.111 2.257 3.951 60 HB VAL 6 HB VAL 6 -5.527 0.110 2.326 61 HG11 VAL 6 HG11 VAL 6 -4.423 2.859 1.603 62 HG12 VAL 6 HG12 VAL 6 -5.178 1.713 0.470 63 HG13 VAL 6 HG13 VAL 6 -6.145 2.444 1.771 64 HG21 VAL 6 HG21 VAL 6 -3.148 -0.474 2.652 65 HG22 VAL 6 HG22 VAL 6 -3.444 0.054 0.982 66 HG23 VAL 6 HG23 VAL 6 -2.672 1.163 2.138 67 H GLU 7 H GLU 7 -5.682 3.780 4.269 68 HA GLU 7 HA GLU 7 -8.232 2.870 5.431 69 HB2 GLU 7 HB2 GLU 7 -6.889 4.787 6.377 70 HB3 GLU 7 HB3 GLU 7 -7.215 5.687 4.881 71 HG2 GLU 7 HG2 GLU 7 -8.819 6.346 6.592 72 HG3 GLU 7 HG3 GLU 7 -9.671 5.444 5.326 73 H GLY 8 H GLY 8 -10.257 3.166 4.440 74 HA2 GLY 8 HA2 GLY 8 -10.158 3.612 1.516 75 HA3 GLY 8 HA3 GLY 8 -11.424 2.771 2.424 76 H MET 9 H MET 9 -9.918 6.095 2.338 77 HA MET 9 HA MET 9 -12.331 7.316 3.310 78 HB2 MET 9 HB2 MET 9 -9.857 8.407 1.934 79 HB3 MET 9 HB3 MET 9 -11.199 9.432 2.491 80 HG2 MET 9 HG2 MET 9 -10.941 8.511 4.774 81 HG3 MET 9 HG3 MET 9 -9.553 7.559 4.227 82 HE1 MET 9 HE1 MET 9 -8.051 10.358 6.567 83 HE2 MET 9 HE2 MET 9 -9.680 9.658 6.717 84 HE3 MET 9 HE3 MET 9 -8.297 8.612 6.323 85 H THR 10 H THR 10 -10.815 7.918 0.060 86 HA THR 10 HA THR 10 -13.488 8.598 -0.940 87 HB THR 10 HB THR 10 -12.209 9.226 -2.996 88 HG1 THR 10 HG1 THR 10 -9.987 9.095 -2.927 89 HG21 THR 10 HG21 THR 10 -12.594 10.885 -1.226 90 HG22 THR 10 HG22 THR 10 -11.130 10.342 -0.373 91 HG23 THR 10 HG23 THR 10 -10.995 11.125 -1.965 92 H CYS 11 H CYS 11 -14.130 7.826 -3.118 93 HA CYS 11 HA CYS 11 -14.934 6.118 -4.368 94 HB2 CYS 11 HB2 CYS 11 -12.005 5.311 -4.314 95 HB3 CYS 11 HB3 CYS 11 -13.208 4.827 -5.532 96 HG CYS 11 HG CYS 11 -13.824 7.221 -6.306 97 H ASN 12 H ASN 12 -15.035 5.685 -1.471 98 HA ASN 12 HA ASN 12 -14.343 2.992 -0.842 99 HB2 ASN 12 HB2 ASN 12 -15.756 3.378 1.131 100 HB3 ASN 12 HB3 ASN 12 -14.685 4.761 0.831 101 HD21 ASN 12 HD21 ASN 12 -18.624 5.388 1.142 102 HD22 ASN 12 HD22 ASN 12 -17.793 3.938 1.667 103 H HIS 13 H HIS 13 -16.598 4.034 -3.100 104 HA HIS 13 HA HIS 13 -18.856 2.401 -2.364 105 HB2 HIS 13 HB2 HIS 13 -17.958 3.533 -5.040 106 HB3 HIS 13 HB3 HIS 13 -19.521 2.767 -4.737 107 HD1 HIS 13 HD1 HIS 13 -21.194 4.739 -4.817 108 HD2 HIS 13 HD2 HIS 13 -17.701 5.515 -2.594 109 HE1 HIS 13 HE1 HIS 13 -21.483 7.050 -3.765 110 H CYS 14 H CYS 14 -15.901 1.882 -4.327 111 HA CYS 14 HA CYS 14 -16.606 -0.998 -4.400 112 HB2 CYS 14 HB2 CYS 14 -15.505 0.606 -6.738 113 HB3 CYS 14 HB3 CYS 14 -15.783 -1.151 -6.709 114 HG CYS 14 HG CYS 14 -17.658 -0.047 -8.102 115 H VAL 15 H VAL 15 -14.544 -2.238 -5.238 116 HA VAL 15 HA VAL 15 -12.328 -1.418 -3.481 117 HB VAL 15 HB VAL 15 -13.288 -3.689 -3.361 118 HG11 VAL 15 HG11 VAL 15 -12.247 -3.995 -6.209 119 HG12 VAL 15 HG12 VAL 15 -12.933 -5.289 -5.200 120 HG13 VAL 15 HG13 VAL 15 -13.960 -3.940 -5.729 121 HG21 VAL 15 HG21 VAL 15 -10.484 -3.775 -4.531 122 HG22 VAL 15 HG22 VAL 15 -10.860 -3.253 -2.866 123 HG23 VAL 15 HG23 VAL 15 -11.219 -4.914 -3.388 124 H MET 16 H MET 16 -10.103 -1.426 -4.258 125 HA MET 16 HA MET 16 -9.788 -1.193 -7.203 126 HB2 MET 16 HB2 MET 16 -8.797 0.776 -5.100 127 HB3 MET 16 HB3 MET 16 -8.223 0.724 -6.777 128 HG2 MET 16 HG2 MET 16 -10.570 1.051 -7.552 129 HG3 MET 16 HG3 MET 16 -11.065 1.259 -5.864 130 HE1 MET 16 HE1 MET 16 -11.326 4.857 -7.444 131 HE2 MET 16 HE2 MET 16 -11.607 3.308 -8.276 132 HE3 MET 16 HE3 MET 16 -12.190 3.541 -6.613 133 H ALA 17 H ALA 17 -7.537 -1.432 -7.884 134 HA ALA 17 HA ALA 17 -6.088 -3.337 -6.160 135 HB1 ALA 17 HB1 ALA 17 -6.444 -3.894 -8.540 136 HB2 ALA 17 HB2 ALA 17 -5.602 -2.403 -9.021 137 HB3 ALA 17 HB3 ALA 17 -4.713 -3.695 -8.181 138 H VAL 18 H VAL 18 -5.236 -2.005 -4.528 139 HA VAL 18 HA VAL 18 -3.971 0.492 -5.023 140 HB VAL 18 HB VAL 18 -3.472 -1.442 -2.739 141 HG11 VAL 18 HG11 VAL 18 -2.280 0.981 -3.204 142 HG12 VAL 18 HG12 VAL 18 -3.705 1.490 -2.307 143 HG13 VAL 18 HG13 VAL 18 -2.591 0.319 -1.569 144 HG21 VAL 18 HG21 VAL 18 -5.725 0.581 -3.062 145 HG22 VAL 18 HG22 VAL 18 -5.902 -1.190 -3.040 146 HG23 VAL 18 HG23 VAL 18 -5.362 -0.334 -1.581 147 H THR 19 H THR 19 -2.984 -2.727 -5.688 148 HA THR 19 HA THR 19 -0.302 -2.844 -5.157 149 HB THR 19 HB THR 19 -1.692 -3.752 -7.704 150 HG1 THR 19 HG1 THR 19 -2.002 -5.661 -6.452 151 HG21 THR 19 HG21 THR 19 0.714 -4.901 -6.231 152 HG22 THR 19 HG22 THR 19 0.005 -5.505 -7.743 153 HG23 THR 19 HG23 THR 19 0.806 -3.920 -7.719 154 H LYS 20 H LYS 20 -1.863 -1.090 -7.878 155 HA LYS 20 HA LYS 20 0.515 -0.605 -9.334 156 HB2 LYS 20 HB2 LYS 20 -2.044 1.035 -9.160 157 HB3 LYS 20 HB3 LYS 20 -0.809 1.170 -10.430 158 HG2 LYS 20 HG2 LYS 20 -1.187 -1.209 -11.039 159 HG3 LYS 20 HG3 LYS 20 -2.455 -1.316 -9.795 160 HD2 LYS 20 HD2 LYS 20 -3.722 0.484 -10.938 161 HD3 LYS 20 HD3 LYS 20 -2.453 0.581 -12.182 162 HE2 LYS 20 HE2 LYS 20 -2.855 -1.805 -12.752 163 HE3 LYS 20 HE3 LYS 20 -4.152 -1.866 -11.541 164 HZ1 LYS 20 HZ1 LYS 20 -5.004 -1.485 -13.730 165 HZ2 LYS 20 HZ2 LYS 20 -5.298 -0.172 -12.779 166 HZ3 LYS 20 HZ3 LYS 20 -4.093 -0.121 -13.904 167 H ALA 21 H ALA 21 -0.686 0.906 -6.384 168 HA ALA 21 HA ALA 21 0.896 3.330 -6.792 169 HB1 ALA 21 HB1 ALA 21 -0.540 2.233 -4.340 170 HB2 ALA 21 HB2 ALA 21 0.121 3.874 -4.520 171 HB3 ALA 21 HB3 ALA 21 -1.237 3.345 -5.541 172 H LEU 22 H LEU 22 1.314 0.134 -5.343 173 HA LEU 22 HA LEU 22 3.554 0.984 -3.680 174 HB2 LEU 22 HB2 LEU 22 2.340 -1.709 -4.432 175 HB3 LEU 22 HB3 LEU 22 3.807 -1.554 -3.459 176 HG LEU 22 HG LEU 22 2.025 -1.835 -1.934 177 HD11 LEU 22 HD11 LEU 22 3.735 -0.033 -1.435 178 HD12 LEU 22 HD12 LEU 22 2.533 1.160 -1.967 179 HD13 LEU 22 HD13 LEU 22 2.190 0.128 -0.562 180 HD21 LEU 22 HD21 LEU 22 0.593 0.503 -3.250 181 HD22 LEU 22 HD22 LEU 22 0.161 -1.216 -3.438 182 HD23 LEU 22 HD23 LEU 22 0.034 -0.431 -1.848 183 H LYS 23 H LYS 23 3.092 -0.463 -6.901 184 HA LYS 23 HA LYS 23 5.712 -1.477 -7.193 185 HB2 LYS 23 HB2 LYS 23 3.639 -1.984 -8.562 186 HB3 LYS 23 HB3 LYS 23 3.922 -0.455 -9.426 187 HG2 LYS 23 HG2 LYS 23 6.165 -1.254 -10.100 188 HG3 LYS 23 HG3 LYS 23 5.925 -2.742 -9.158 189 HD2 LYS 23 HD2 LYS 23 3.976 -3.318 -10.581 190 HD3 LYS 23 HD3 LYS 23 4.265 -1.855 -11.554 191 HE2 LYS 23 HE2 LYS 23 6.523 -2.681 -12.130 192 HE3 LYS 23 HE3 LYS 23 6.257 -4.125 -11.131 193 HZ1 LYS 23 HZ1 LYS 23 4.711 -3.377 -13.515 194 HZ2 LYS 23 HZ2 LYS 23 5.843 -4.572 -13.428 195 HZ3 LYS 23 HZ3 LYS 23 4.442 -4.708 -12.573 196 H LYS 24 H LYS 24 4.529 1.834 -7.418 197 HA LYS 24 HA LYS 24 6.682 2.738 -9.133 198 HB2 LYS 24 HB2 LYS 24 4.801 4.258 -7.282 199 HB3 LYS 24 HB3 LYS 24 5.853 4.985 -8.515 200 HG2 LYS 24 HG2 LYS 24 4.676 3.668 -10.271 201 HG3 LYS 24 HG3 LYS 24 3.588 3.010 -9.024 202 HD2 LYS 24 HD2 LYS 24 2.871 5.318 -8.448 203 HD3 LYS 24 HD3 LYS 24 3.945 5.958 -9.711 204 HE2 LYS 24 HE2 LYS 24 2.698 4.627 -11.409 205 HE3 LYS 24 HE3 LYS 24 1.594 4.071 -10.134 206 HZ1 LYS 24 HZ1 LYS 24 1.005 6.362 -9.751 207 HZ2 LYS 24 HZ2 LYS 24 2.013 6.862 -10.955 208 HZ3 LYS 24 HZ3 LYS 24 0.697 5.932 -11.310 209 H VAL 25 H VAL 25 6.556 1.866 -5.799 210 HA VAL 25 HA VAL 25 8.386 3.896 -4.850 211 HB VAL 25 HB VAL 25 7.342 1.275 -3.727 212 HG11 VAL 25 HG11 VAL 25 8.266 2.026 -1.561 213 HG12 VAL 25 HG12 VAL 25 9.554 1.743 -2.753 214 HG13 VAL 25 HG13 VAL 25 9.045 3.404 -2.372 215 HG21 VAL 25 HG21 VAL 25 6.028 2.815 -2.297 216 HG22 VAL 25 HG22 VAL 25 6.776 4.205 -3.115 217 HG23 VAL 25 HG23 VAL 25 5.706 3.108 -4.019 218 HA PRO 26 HA PRO 26 12.120 2.047 -6.409 219 HB2 PRO 26 HB2 PRO 26 13.241 3.465 -3.999 220 HB3 PRO 26 HB3 PRO 26 13.848 3.483 -5.688 221 HG2 PRO 26 HG2 PRO 26 12.464 5.598 -4.710 222 HG3 PRO 26 HG3 PRO 26 12.124 4.985 -6.363 223 HD2 PRO 26 HD2 PRO 26 10.577 4.475 -3.817 224 HD3 PRO 26 HD3 PRO 26 9.965 4.838 -5.463 225 H GLY 27 H GLY 27 13.119 0.094 -5.955 226 HA2 GLY 27 HA2 GLY 27 14.200 -1.470 -4.602 227 HA3 GLY 27 HA3 GLY 27 13.518 -0.705 -3.156 228 H VAL 28 H VAL 28 10.758 -0.761 -4.642 229 HA VAL 28 HA VAL 28 9.983 -3.347 -3.539 230 HB VAL 28 HB VAL 28 8.490 -1.152 -5.027 231 HG11 VAL 28 HG11 VAL 28 7.411 -3.313 -5.474 232 HG12 VAL 28 HG12 VAL 28 7.416 -3.690 -3.734 233 HG13 VAL 28 HG13 VAL 28 6.430 -2.344 -4.354 234 HG21 VAL 28 HG21 VAL 28 8.494 -2.073 -2.120 235 HG22 VAL 28 HG22 VAL 28 9.249 -0.587 -2.744 236 HG23 VAL 28 HG23 VAL 28 7.480 -0.775 -2.793 237 H GLU 29 H GLU 29 9.885 -5.242 -4.643 238 HA GLU 29 HA GLU 29 9.807 -5.071 -7.618 239 HB2 GLU 29 HB2 GLU 29 12.036 -5.723 -6.756 240 HB3 GLU 29 HB3 GLU 29 11.293 -7.104 -5.917 241 HG2 GLU 29 HG2 GLU 29 10.498 -8.009 -8.057 242 HG3 GLU 29 HG3 GLU 29 11.142 -6.596 -8.918 243 H LYS 30 H LYS 30 8.639 -6.563 -4.644 244 HA LYS 30 HA LYS 30 6.541 -7.895 -6.276 245 HB2 LYS 30 HB2 LYS 30 7.965 -9.052 -3.848 246 HB3 LYS 30 HB3 LYS 30 6.550 -9.764 -4.650 247 HG2 LYS 30 HG2 LYS 30 7.849 -9.956 -6.756 248 HG3 LYS 30 HG3 LYS 30 9.271 -9.271 -5.934 249 HD2 LYS 30 HD2 LYS 30 9.221 -11.145 -4.305 250 HD3 LYS 30 HD3 LYS 30 7.816 -11.834 -5.151 251 HE2 LYS 30 HE2 LYS 30 9.161 -12.019 -7.223 252 HE3 LYS 30 HE3 LYS 30 10.564 -11.340 -6.373 253 HZ1 LYS 30 HZ1 LYS 30 9.193 -13.850 -5.691 254 HZ2 LYS 30 HZ2 LYS 30 10.647 -13.716 -6.454 255 HZ3 LYS 30 HZ3 LYS 30 10.494 -13.215 -4.895 256 H VAL 31 H VAL 31 4.476 -8.036 -5.209 257 HA VAL 31 HA VAL 31 4.193 -6.464 -2.720 258 HB VAL 31 HB VAL 31 2.731 -5.954 -5.333 259 HG11 VAL 31 HG11 VAL 31 1.203 -5.804 -3.390 260 HG12 VAL 31 HG12 VAL 31 2.308 -4.649 -2.617 261 HG13 VAL 31 HG13 VAL 31 1.487 -4.210 -4.133 262 HG21 VAL 31 HG21 VAL 31 4.312 -3.950 -3.702 263 HG22 VAL 31 HG22 VAL 31 5.066 -4.930 -4.996 264 HG23 VAL 31 HG23 VAL 31 3.739 -3.812 -5.364 265 H GLU 32 H GLU 32 2.347 -7.066 -1.503 266 HA GLU 32 HA GLU 32 0.607 -9.168 -2.634 267 HB2 GLU 32 HB2 GLU 32 2.527 -10.306 -1.533 268 HB3 GLU 32 HB3 GLU 32 2.143 -9.448 -0.024 269 HG2 GLU 32 HG2 GLU 32 -0.128 -10.477 -0.046 270 HG3 GLU 32 HG3 GLU 32 0.295 -11.342 -1.537 271 H VAL 33 H VAL 33 -1.032 -7.550 -2.626 272 HA VAL 33 HA VAL 33 -1.755 -6.454 0.034 273 HB VAL 33 HB VAL 33 -3.304 -5.033 -1.233 274 HG11 VAL 33 HG11 VAL 33 -0.544 -5.097 -2.521 275 HG12 VAL 33 HG12 VAL 33 -1.659 -3.714 -2.488 276 HG13 VAL 33 HG13 VAL 33 -0.939 -4.311 -0.977 277 HG21 VAL 33 HG21 VAL 33 -2.246 -6.493 -3.693 278 HG22 VAL 33 HG22 VAL 33 -3.892 -6.625 -3.029 279 HG23 VAL 33 HG23 VAL 33 -3.327 -5.081 -3.700 280 H SER 34 H SER 34 -3.945 -6.683 0.810 281 HA SER 34 HA SER 34 -5.475 -8.899 -0.445 282 HB2 SER 34 HB2 SER 34 -4.314 -9.760 1.565 283 HB3 SER 34 HB3 SER 34 -5.058 -8.466 2.536 284 HG SER 34 HG SER 34 -6.099 -10.819 1.717 285 H LEU 35 H LEU 35 -7.022 -7.718 -1.399 286 HA LEU 35 HA LEU 35 -7.874 -5.171 -0.491 287 HB2 LEU 35 HB2 LEU 35 -9.325 -7.128 -2.312 288 HB3 LEU 35 HB3 LEU 35 -9.525 -5.363 -2.264 289 HG LEU 35 HG LEU 35 -6.934 -6.828 -3.014 290 HD11 LEU 35 HD11 LEU 35 -8.363 -7.160 -4.839 291 HD12 LEU 35 HD12 LEU 35 -9.212 -5.601 -4.592 292 HD13 LEU 35 HD13 LEU 35 -7.560 -5.649 -5.253 293 HD21 LEU 35 HD21 LEU 35 -6.048 -4.813 -2.431 294 HD22 LEU 35 HD22 LEU 35 -6.785 -4.237 -3.922 295 HD23 LEU 35 HD23 LEU 35 -7.650 -4.007 -2.388 296 H GLU 36 H GLU 36 -8.787 -8.392 0.490 297 HA GLU 36 HA GLU 36 -11.410 -7.582 1.496 298 HB2 GLU 36 HB2 GLU 36 -9.748 -10.109 1.848 299 HB3 GLU 36 HB3 GLU 36 -11.422 -9.893 2.412 300 HG2 GLU 36 HG2 GLU 36 -12.134 -9.423 0.076 301 HG3 GLU 36 HG3 GLU 36 -10.472 -9.704 -0.476 302 H LYS 37 H LYS 37 -8.079 -7.776 2.643 303 HA LYS 37 HA LYS 37 -8.978 -7.543 5.454 304 HB2 LYS 37 HB2 LYS 37 -6.224 -7.934 4.221 305 HB3 LYS 37 HB3 LYS 37 -6.584 -7.933 5.961 306 HG2 LYS 37 HG2 LYS 37 -8.049 -9.884 5.695 307 HG3 LYS 37 HG3 LYS 37 -7.810 -9.855 3.934 308 HD2 LYS 37 HD2 LYS 37 -5.381 -10.231 4.257 309 HD3 LYS 37 HD3 LYS 37 -5.633 -10.306 6.016 310 HE2 LYS 37 HE2 LYS 37 -7.137 -12.234 5.733 311 HE3 LYS 37 HE3 LYS 37 -6.958 -12.136 3.970 312 HZ1 LYS 37 HZ1 LYS 37 -5.536 -13.796 4.938 313 HZ2 LYS 37 HZ2 LYS 37 -4.641 -12.611 4.226 314 HZ3 LYS 37 HZ3 LYS 37 -4.780 -12.666 5.869 315 H GLY 38 H GLY 38 -8.049 -5.534 2.821 316 HA2 GLY 38 HA2 GLY 38 -7.745 -3.262 2.730 317 HA3 GLY 38 HA3 GLY 38 -8.150 -3.171 4.455 318 H GLU 39 H GLU 39 -5.591 -5.356 3.514 319 HA GLU 39 HA GLU 39 -3.589 -3.483 4.701 320 HB2 GLU 39 HB2 GLU 39 -3.659 -6.524 4.521 321 HB3 GLU 39 HB3 GLU 39 -2.336 -5.562 5.216 322 HG2 GLU 39 HG2 GLU 39 -3.886 -4.604 6.879 323 HG3 GLU 39 HG3 GLU 39 -5.219 -5.555 6.195 324 H ALA 40 H ALA 40 -1.475 -3.443 3.772 325 HA ALA 40 HA ALA 40 -1.236 -4.550 1.039 326 HB1 ALA 40 HB1 ALA 40 -2.073 -2.253 0.784 327 HB2 ALA 40 HB2 ALA 40 -0.770 -1.647 1.832 328 HB3 ALA 40 HB3 ALA 40 -0.379 -2.359 0.250 329 H LEU 41 H LEU 41 0.466 -5.862 1.204 330 HA LEU 41 HA LEU 41 2.776 -4.953 2.852 331 HB2 LEU 41 HB2 LEU 41 1.990 -7.750 1.923 332 HB3 LEU 41 HB3 LEU 41 3.410 -7.334 2.880 333 HG LEU 41 HG LEU 41 1.857 -8.215 4.414 334 HD11 LEU 41 HD11 LEU 41 1.766 -5.174 4.501 335 HD12 LEU 41 HD12 LEU 41 1.154 -6.220 5.810 336 HD13 LEU 41 HD13 LEU 41 2.874 -6.256 5.356 337 HD21 LEU 41 HD21 LEU 41 -0.456 -7.573 4.602 338 HD22 LEU 41 HD22 LEU 41 -0.274 -6.324 3.357 339 HD23 LEU 41 HD23 LEU 41 -0.127 -8.045 2.920 340 H VAL 42 H VAL 42 4.885 -5.192 1.957 341 HA VAL 42 HA VAL 42 4.977 -5.796 -0.939 342 HB VAL 42 HB VAL 42 6.497 -3.911 -1.302 343 HG11 VAL 42 HG11 VAL 42 4.828 -2.238 -1.437 344 HG12 VAL 42 HG12 VAL 42 3.951 -3.770 -1.525 345 HG13 VAL 42 HG13 VAL 42 3.965 -2.859 0.002 346 HG21 VAL 42 HG21 VAL 42 5.794 -3.098 1.550 347 HG22 VAL 42 HG22 VAL 42 7.382 -3.685 1.001 348 HG23 VAL 42 HG23 VAL 42 6.748 -2.143 0.393 349 H GLU 43 H GLU 43 7.276 -6.215 -1.639 350 HA GLU 43 HA GLU 43 8.965 -7.169 0.608 351 HB2 GLU 43 HB2 GLU 43 7.597 -9.014 -0.411 352 HB3 GLU 43 HB3 GLU 43 8.424 -8.710 -1.952 353 HG2 GLU 43 HG2 GLU 43 10.604 -9.185 -0.844 354 HG3 GLU 43 HG3 GLU 43 9.754 -9.439 0.694 355 H GLY 44 H GLY 44 10.170 -5.264 0.330 356 HA2 GLY 44 HA2 GLY 44 12.098 -5.335 -1.861 357 HA3 GLY 44 HA3 GLY 44 11.002 -3.935 -1.857 358 H THR 45 H THR 45 13.275 -2.965 -1.632 359 HA THR 45 HA THR 45 14.127 -2.853 1.219 360 HB THR 45 HB THR 45 16.307 -2.069 0.193 361 HG1 THR 45 HG1 THR 45 16.451 -2.495 -2.077 362 HG21 THR 45 HG21 THR 45 16.624 -4.427 -1.044 363 HG22 THR 45 HG22 THR 45 16.438 -4.331 0.737 364 HG23 THR 45 HG23 THR 45 15.063 -4.765 -0.301 365 H ALA 46 H ALA 46 11.869 -1.316 0.007 366 HA ALA 46 HA ALA 46 12.803 1.359 -0.520 367 HB1 ALA 46 HB1 ALA 46 10.403 1.904 -0.454 368 HB2 ALA 46 HB2 ALA 46 10.679 0.421 -1.399 369 HB3 ALA 46 HB3 ALA 46 10.047 0.314 0.260 370 H ASP 47 H ASP 47 11.817 3.234 0.814 371 HA ASP 47 HA ASP 47 12.388 2.749 3.688 372 HB2 ASP 47 HB2 ASP 47 12.408 5.212 1.911 373 HB3 ASP 47 HB3 ASP 47 12.449 5.314 3.679 374 HA PRO 48 HA PRO 48 8.269 3.259 4.976 375 HB2 PRO 48 HB2 PRO 48 9.285 5.413 6.822 376 HB3 PRO 48 HB3 PRO 48 8.256 3.996 7.216 377 HG2 PRO 48 HG2 PRO 48 10.892 3.971 7.823 378 HG3 PRO 48 HG3 PRO 48 10.133 2.518 7.085 379 HD2 PRO 48 HD2 PRO 48 11.787 4.661 5.739 380 HD3 PRO 48 HD3 PRO 48 11.851 2.882 5.530 381 H LYS 49 H LYS 49 10.038 6.381 4.527 382 HA LYS 49 HA LYS 49 7.622 7.928 4.284 383 HB2 LYS 49 HB2 LYS 49 9.321 9.530 3.072 384 HB3 LYS 49 HB3 LYS 49 9.476 9.239 4.813 385 HG2 LYS 49 HG2 LYS 49 11.272 7.659 4.495 386 HG3 LYS 49 HG3 LYS 49 11.026 7.667 2.730 387 HD2 LYS 49 HD2 LYS 49 11.567 10.093 2.683 388 HD3 LYS 49 HD3 LYS 49 11.917 10.037 4.426 389 HE2 LYS 49 HE2 LYS 49 13.712 8.417 4.044 390 HE3 LYS 49 HE3 LYS 49 13.298 8.320 2.320 391 HZ1 LYS 49 HZ1 LYS 49 14.254 10.733 3.698 392 HZ2 LYS 49 HZ2 LYS 49 15.155 9.766 2.714 393 HZ3 LYS 49 HZ3 LYS 49 13.885 10.614 2.097 394 H ALA 50 H ALA 50 9.274 5.762 2.109 395 HA ALA 50 HA ALA 50 8.238 7.173 -0.264 396 HB1 ALA 50 HB1 ALA 50 10.505 6.159 -0.275 397 HB2 ALA 50 HB2 ALA 50 9.782 4.561 0.022 398 HB3 ALA 50 HB3 ALA 50 9.442 5.424 -1.497 399 H LEU 51 H LEU 51 7.693 4.179 1.642 400 HA LEU 51 HA LEU 51 5.804 3.139 -0.262 401 HB2 LEU 51 HB2 LEU 51 7.255 1.921 1.544 402 HB3 LEU 51 HB3 LEU 51 5.932 2.362 2.649 403 HG LEU 51 HG LEU 51 4.349 1.299 0.908 404 HD11 LEU 51 HD11 LEU 51 5.480 -0.434 -0.530 405 HD12 LEU 51 HD12 LEU 51 5.913 1.227 -0.990 406 HD13 LEU 51 HD13 LEU 51 7.050 0.236 -0.047 407 HD21 LEU 51 HD21 LEU 51 5.075 0.229 3.073 408 HD22 LEU 51 HD22 LEU 51 4.698 -0.935 1.779 409 HD23 LEU 51 HD23 LEU 51 6.390 -0.564 2.180 410 H VAL 52 H VAL 52 5.468 4.692 2.990 411 HA VAL 52 HA VAL 52 2.613 4.521 2.979 412 HB VAL 52 HB VAL 52 4.496 6.342 4.533 413 HG11 VAL 52 HG11 VAL 52 2.158 7.127 4.611 414 HG12 VAL 52 HG12 VAL 52 1.612 5.490 5.051 415 HG13 VAL 52 HG13 VAL 52 2.630 6.424 6.172 416 HG21 VAL 52 HG21 VAL 52 4.270 4.619 6.299 417 HG22 VAL 52 HG22 VAL 52 3.282 3.624 5.204 418 HG23 VAL 52 HG23 VAL 52 4.994 3.933 4.829 419 H GLN 53 H GLN 53 4.906 6.820 1.579 420 HA GLN 53 HA GLN 53 2.864 8.879 1.257 421 HB2 GLN 53 HB2 GLN 53 5.264 9.409 1.599 422 HB3 GLN 53 HB3 GLN 53 5.644 8.630 0.044 423 HG2 GLN 53 HG2 GLN 53 4.196 10.249 -1.126 424 HG3 GLN 53 HG3 GLN 53 3.743 10.982 0.426 425 HE21 GLN 53 HE21 GLN 53 7.697 11.443 -0.794 426 HE22 GLN 53 HE22 GLN 53 6.874 9.921 -1.049 427 H ALA 54 H ALA 54 4.218 6.168 -0.592 428 HA ALA 54 HA ALA 54 3.392 6.983 -3.173 429 HB1 ALA 54 HB1 ALA 54 3.529 4.587 -3.716 430 HB2 ALA 54 HB2 ALA 54 4.916 5.107 -2.737 431 HB3 ALA 54 HB3 ALA 54 3.591 4.187 -1.983 432 H VAL 55 H VAL 55 1.676 5.099 -0.611 433 HA VAL 55 HA VAL 55 -0.715 4.863 -2.239 434 HB VAL 55 HB VAL 55 -1.731 4.042 -0.117 435 HG11 VAL 55 HG11 VAL 55 -0.316 2.036 0.067 436 HG12 VAL 55 HG12 VAL 55 -0.496 2.528 -1.633 437 HG13 VAL 55 HG13 VAL 55 1.013 2.885 -0.758 438 HG21 VAL 55 HG21 VAL 55 -0.441 5.486 1.453 439 HG22 VAL 55 HG22 VAL 55 -0.311 3.765 1.872 440 HG23 VAL 55 HG23 VAL 55 1.036 4.581 1.048 441 H GLU 56 H GLU 56 0.644 7.266 -0.048 442 HA GLU 56 HA GLU 56 -1.857 8.628 0.431 443 HB2 GLU 56 HB2 GLU 56 0.160 8.824 1.884 444 HB3 GLU 56 HB3 GLU 56 1.013 9.648 0.561 445 HG2 GLU 56 HG2 GLU 56 -0.684 11.449 0.590 446 HG3 GLU 56 HG3 GLU 56 -1.557 10.612 1.888 447 H GLU 57 H GLU 57 0.437 8.438 -2.193 448 HA GLU 57 HA GLU 57 -0.160 10.948 -3.446 449 HB2 GLU 57 HB2 GLU 57 1.837 9.468 -3.855 450 HB3 GLU 57 HB3 GLU 57 0.768 8.352 -4.734 451 HG2 GLU 57 HG2 GLU 57 0.194 10.143 -6.319 452 HG3 GLU 57 HG3 GLU 57 1.193 11.292 -5.403 453 H GLU 58 H GLU 58 -1.783 7.861 -3.172 454 HA GLU 58 HA GLU 58 -3.668 8.501 -5.357 455 HB2 GLU 58 HB2 GLU 58 -3.402 6.133 -3.457 456 HB3 GLU 58 HB3 GLU 58 -4.647 6.280 -4.710 457 HG2 GLU 58 HG2 GLU 58 -1.640 6.262 -5.198 458 HG3 GLU 58 HG3 GLU 58 -2.743 4.901 -5.468 459 H GLY 59 H GLY 59 -3.182 9.277 -2.113 460 HA2 GLY 59 HA2 GLY 59 -4.635 10.708 -0.935 461 HA3 GLY 59 HA3 GLY 59 -6.011 10.092 -1.865 462 H TYR 60 H TYR 60 -3.976 7.522 -0.823 463 HA TYR 60 HA TYR 60 -5.818 7.016 1.467 464 HB2 TYR 60 HB2 TYR 60 -4.559 5.006 -0.424 465 HB3 TYR 60 HB3 TYR 60 -5.715 4.667 0.866 466 HD1 TYR 60 HD1 TYR 60 -5.383 5.013 -2.571 467 HD2 TYR 60 HD2 TYR 60 -7.967 6.200 0.654 468 HE1 TYR 60 HE1 TYR 60 -7.249 5.295 -4.180 469 HE2 TYR 60 HE2 TYR 60 -9.839 6.476 -0.944 470 HH TYR 60 HH TYR 60 -10.510 6.351 -3.121 471 H LYS 61 H LYS 61 -4.429 7.754 3.122 472 HA LYS 61 HA LYS 61 -1.687 6.904 3.334 473 HB2 LYS 61 HB2 LYS 61 -3.731 7.811 5.404 474 HB3 LYS 61 HB3 LYS 61 -2.020 7.502 5.765 475 HG2 LYS 61 HG2 LYS 61 -1.337 9.209 4.135 476 HG3 LYS 61 HG3 LYS 61 -3.042 9.528 3.729 477 HD2 LYS 61 HD2 LYS 61 -3.497 10.242 6.021 478 HD3 LYS 61 HD3 LYS 61 -1.845 9.807 6.520 479 HE2 LYS 61 HE2 LYS 61 -0.913 11.491 4.977 480 HE3 LYS 61 HE3 LYS 61 -2.549 11.878 4.412 481 HZ1 LYS 61 HZ1 LYS 61 -1.376 12.410 7.031 482 HZ2 LYS 61 HZ2 LYS 61 -2.049 13.461 5.969 483 HZ3 LYS 61 HZ3 LYS 61 -3.022 12.417 6.793 484 H ALA 62 H ALA 62 -0.985 5.457 5.228 485 HA ALA 62 HA ALA 62 -2.868 3.292 5.834 486 HB1 ALA 62 HB1 ALA 62 -1.994 2.656 3.631 487 HB2 ALA 62 HB2 ALA 62 -0.331 2.867 4.215 488 HB3 ALA 62 HB3 ALA 62 -1.357 1.574 4.891 489 H GLU 63 H GLU 63 -2.614 2.934 7.923 490 HA GLU 63 HA GLU 63 -0.313 3.816 9.409 491 HB2 GLU 63 HB2 GLU 63 -2.695 2.058 10.145 492 HB3 GLU 63 HB3 GLU 63 -1.531 2.725 11.307 493 HG2 GLU 63 HG2 GLU 63 -2.170 4.992 10.762 494 HG3 GLU 63 HG3 GLU 63 -3.145 4.444 9.388 495 H VAL 64 H VAL 64 1.625 2.768 9.271 496 HA VAL 64 HA VAL 64 1.979 0.042 8.578 497 HB VAL 64 HB VAL 64 4.262 0.376 9.506 498 HG11 VAL 64 HG11 VAL 64 3.693 1.075 7.211 499 HG12 VAL 64 HG12 VAL 64 3.175 2.666 7.817 500 HG13 VAL 64 HG13 VAL 64 4.881 2.184 7.936 501 HG21 VAL 64 HG21 VAL 64 3.170 3.111 10.298 502 HG22 VAL 64 HG22 VAL 64 3.761 1.852 11.411 503 HG23 VAL 64 HG23 VAL 64 4.886 2.650 10.297 504 H LEU 65 H LEU 65 1.266 -1.671 9.651 505 HA LEU 65 HA LEU 65 0.537 -1.451 12.480 506 HB2 LEU 65 HB2 LEU 65 0.417 -3.809 10.554 507 HB3 LEU 65 HB3 LEU 65 -0.297 -3.750 12.173 508 HG LEU 65 HG LEU 65 -1.048 -1.919 9.858 509 HD11 LEU 65 HD11 LEU 65 -2.500 -4.251 11.178 510 HD12 LEU 65 HD12 LEU 65 -3.164 -3.204 9.901 511 HD13 LEU 65 HD13 LEU 65 -1.775 -4.259 9.553 512 HD21 LEU 65 HD21 LEU 65 -1.336 -0.815 12.046 513 HD22 LEU 65 HD22 LEU 65 -2.913 -1.253 11.360 514 HD23 LEU 65 HD23 LEU 65 -2.208 -2.241 12.662 515 H ALA 66 H ALA 66 3.391 -1.150 11.927 516 HA ALA 66 HA ALA 66 4.361 -3.477 13.510 517 HB1 ALA 66 HB1 ALA 66 5.397 -2.415 10.872 518 HB2 ALA 66 HB2 ALA 66 6.496 -3.228 12.032 519 HB3 ALA 66 HB3 ALA 66 5.091 -4.085 11.352 Start of MODEL 18 1 H1 MET 1 H MET 1 8.135 -4.009 11.175 2 HA MET 1 HA MET 1 8.855 -4.104 8.305 3 HB2 MET 1 HB2 MET 1 8.499 -6.334 9.411 4 HB3 MET 1 HB3 MET 1 6.828 -5.837 9.758 5 HG2 MET 1 HG2 MET 1 6.437 -5.518 7.324 6 HG3 MET 1 HG3 MET 1 8.115 -5.974 7.007 7 HE1 MET 1 HE1 MET 1 5.028 -7.304 9.102 8 HE2 MET 1 HE2 MET 1 4.526 -7.026 7.417 9 HE3 MET 1 HE3 MET 1 4.571 -8.680 8.070 10 H LEU 2 H LEU 2 6.953 -3.764 6.832 11 HA LEU 2 HA LEU 2 5.185 -1.691 8.028 12 HB2 LEU 2 HB2 LEU 2 6.114 -2.065 5.158 13 HB3 LEU 2 HB3 LEU 2 5.129 -0.720 5.774 14 HG LEU 2 HG LEU 2 7.931 -1.424 6.760 15 HD11 LEU 2 HD11 LEU 2 7.040 0.836 4.931 16 HD12 LEU 2 HD12 LEU 2 8.686 0.545 5.538 17 HD13 LEU 2 HD13 LEU 2 7.940 -0.616 4.421 18 HD21 LEU 2 HD21 LEU 2 6.154 1.003 7.252 19 HD22 LEU 2 HD22 LEU 2 6.546 -0.259 8.445 20 HD23 LEU 2 HD23 LEU 2 7.825 0.806 7.828 21 H LYS 3 H LYS 3 2.964 -1.637 7.383 22 HA LYS 3 HA LYS 3 1.843 -3.889 5.899 23 HB2 LYS 3 HB2 LYS 3 2.288 -4.739 8.231 24 HB3 LYS 3 HB3 LYS 3 1.166 -3.508 8.847 25 HG2 LYS 3 HG2 LYS 3 -0.661 -4.472 7.538 26 HG3 LYS 3 HG3 LYS 3 0.461 -5.579 6.717 27 HD2 LYS 3 HD2 LYS 3 0.970 -6.683 8.871 28 HD3 LYS 3 HD3 LYS 3 -0.152 -5.579 9.703 29 HE2 LYS 3 HE2 LYS 3 -2.009 -6.400 8.311 30 HE3 LYS 3 HE3 LYS 3 -0.903 -7.484 7.445 31 HZ1 LYS 3 HZ1 LYS 3 -0.494 -8.614 9.502 32 HZ2 LYS 3 HZ2 LYS 3 -1.519 -7.601 10.313 33 HZ3 LYS 3 HZ3 LYS 3 -2.102 -8.617 9.155 34 H LEU 4 H LEU 4 1.150 -2.161 4.547 35 HA LEU 4 HA LEU 4 0.043 0.245 5.706 36 HB2 LEU 4 HB2 LEU 4 0.693 -0.873 3.003 37 HB3 LEU 4 HB3 LEU 4 -0.516 0.414 3.066 38 HG LEU 4 HG LEU 4 1.064 1.823 4.396 39 HD11 LEU 4 HD11 LEU 4 3.027 -0.416 3.749 40 HD12 LEU 4 HD12 LEU 4 3.440 1.151 4.489 41 HD13 LEU 4 HD13 LEU 4 2.414 -0.006 5.366 42 HD21 LEU 4 HD21 LEU 4 0.904 2.016 1.921 43 HD22 LEU 4 HD22 LEU 4 2.544 2.374 2.512 44 HD23 LEU 4 HD23 LEU 4 2.192 0.802 1.756 45 H LYS 5 H LYS 5 -1.884 0.021 6.752 46 HA LYS 5 HA LYS 5 -4.119 -1.382 5.453 47 HB2 LYS 5 HB2 LYS 5 -3.772 -1.471 7.912 48 HB3 LYS 5 HB3 LYS 5 -4.038 0.281 8.014 49 HG2 LYS 5 HG2 LYS 5 -6.111 -1.322 6.549 50 HG3 LYS 5 HG3 LYS 5 -6.006 -1.575 8.302 51 HD2 LYS 5 HD2 LYS 5 -6.239 0.837 8.710 52 HD3 LYS 5 HD3 LYS 5 -6.345 1.131 6.959 53 HE2 LYS 5 HE2 LYS 5 -8.346 -0.272 6.821 54 HE3 LYS 5 HE3 LYS 5 -8.284 -0.588 8.568 55 HZ1 LYS 5 HZ1 LYS 5 -9.715 1.315 7.571 56 HZ2 LYS 5 HZ2 LYS 5 -8.924 1.533 9.018 57 HZ3 LYS 5 HZ3 LYS 5 -8.317 2.156 7.618 58 H VAL 6 H VAL 6 -4.850 -0.308 3.681 59 HA VAL 6 HA VAL 6 -4.658 2.504 3.297 60 HB VAL 6 HB VAL 6 -6.479 0.471 1.947 61 HG11 VAL 6 HG11 VAL 6 -5.329 3.148 1.046 62 HG12 VAL 6 HG12 VAL 6 -6.266 2.035 0.021 63 HG13 VAL 6 HG13 VAL 6 -7.033 2.812 1.424 64 HG21 VAL 6 HG21 VAL 6 -4.121 -0.277 1.929 65 HG22 VAL 6 HG22 VAL 6 -4.646 0.238 0.314 66 HG23 VAL 6 HG23 VAL 6 -3.619 1.310 1.296 67 H GLU 7 H GLU 7 -6.064 4.159 3.680 68 HA GLU 7 HA GLU 7 -8.298 3.666 5.483 69 HB2 GLU 7 HB2 GLU 7 -6.797 5.652 5.647 70 HB3 GLU 7 HB3 GLU 7 -7.394 6.212 4.070 71 HG2 GLU 7 HG2 GLU 7 -8.564 7.319 5.956 72 HG3 GLU 7 HG3 GLU 7 -9.682 6.338 4.985 73 H GLY 8 H GLY 8 -10.514 3.977 4.991 74 HA2 GLY 8 HA2 GLY 8 -11.188 3.621 2.141 75 HA3 GLY 8 HA3 GLY 8 -12.259 3.366 3.535 76 H MET 9 H MET 9 -10.428 6.000 1.856 77 HA MET 9 HA MET 9 -11.985 8.094 3.029 78 HB2 MET 9 HB2 MET 9 -10.245 7.978 0.535 79 HB3 MET 9 HB3 MET 9 -10.927 9.471 1.219 80 HG2 MET 9 HG2 MET 9 -9.772 9.066 3.343 81 HG3 MET 9 HG3 MET 9 -9.142 7.532 2.728 82 HE1 MET 9 HE1 MET 9 -7.865 11.729 1.253 83 HE2 MET 9 HE2 MET 9 -9.475 11.049 0.926 84 HE3 MET 9 HE3 MET 9 -8.989 11.421 2.598 85 H THR 10 H THR 10 -12.095 6.602 -0.296 86 HA THR 10 HA THR 10 -14.924 7.491 -0.407 87 HB THR 10 HB THR 10 -14.558 8.223 -2.758 88 HG1 THR 10 HG1 THR 10 -12.415 8.528 -3.420 89 HG21 THR 10 HG21 THR 10 -14.551 9.869 -0.900 90 HG22 THR 10 HG22 THR 10 -12.792 9.654 -0.726 91 HG23 THR 10 HG23 THR 10 -13.459 10.353 -2.218 92 H CYS 11 H CYS 11 -16.125 6.442 -2.189 93 HA CYS 11 HA CYS 11 -16.919 4.520 -3.103 94 HB2 CYS 11 HB2 CYS 11 -14.062 4.421 -4.129 95 HB3 CYS 11 HB3 CYS 11 -15.464 3.590 -4.847 96 HG CYS 11 HG CYS 11 -16.886 5.726 -5.246 97 H ASN 12 H ASN 12 -16.562 3.908 -0.489 98 HA ASN 12 HA ASN 12 -14.717 1.771 -0.029 99 HB2 ASN 12 HB2 ASN 12 -16.005 1.389 2.008 100 HB3 ASN 12 HB3 ASN 12 -15.748 3.123 1.773 101 HD21 ASN 12 HD21 ASN 12 -19.487 1.683 2.178 102 HD22 ASN 12 HD22 ASN 12 -18.031 0.785 2.545 103 H HIS 13 H HIS 13 -17.565 1.876 -1.929 104 HA HIS 13 HA HIS 13 -18.157 -0.990 -1.511 105 HB2 HIS 13 HB2 HIS 13 -19.491 1.186 -3.151 106 HB3 HIS 13 HB3 HIS 13 -19.968 -0.519 -3.198 107 HD1 HIS 13 HD1 HIS 13 -21.405 -1.420 -1.193 108 HD2 HIS 13 HD2 HIS 13 -19.905 2.486 -0.735 109 HE1 HIS 13 HE1 HIS 13 -22.550 -0.430 0.871 110 H CYS 14 H CYS 14 -15.986 0.877 -3.297 111 HA CYS 14 HA CYS 14 -15.870 -1.233 -5.400 112 HB2 CYS 14 HB2 CYS 14 -15.194 1.725 -5.631 113 HB3 CYS 14 HB3 CYS 14 -14.975 0.506 -6.907 114 HG CYS 14 HG CYS 14 -17.049 1.953 -7.454 115 H VAL 15 H VAL 15 -14.003 -2.338 -5.469 116 HA VAL 15 HA VAL 15 -11.811 -1.429 -3.711 117 HB VAL 15 HB VAL 15 -12.718 -3.724 -3.498 118 HG11 VAL 15 HG11 VAL 15 -11.642 -4.102 -6.325 119 HG12 VAL 15 HG12 VAL 15 -12.297 -5.377 -5.275 120 HG13 VAL 15 HG13 VAL 15 -13.361 -4.080 -5.860 121 HG21 VAL 15 HG21 VAL 15 -10.581 -4.904 -3.540 122 HG22 VAL 15 HG22 VAL 15 -9.883 -3.667 -4.607 123 HG23 VAL 15 HG23 VAL 15 -10.350 -3.247 -2.940 124 H MET 16 H MET 16 -9.597 -1.380 -4.499 125 HA MET 16 HA MET 16 -9.312 -1.292 -7.451 126 HB2 MET 16 HB2 MET 16 -8.333 0.844 -5.502 127 HB3 MET 16 HB3 MET 16 -7.942 0.744 -7.228 128 HG2 MET 16 HG2 MET 16 -9.672 2.238 -7.283 129 HG3 MET 16 HG3 MET 16 -10.544 0.728 -7.563 130 HE1 MET 16 HE1 MET 16 -13.173 2.080 -6.385 131 HE2 MET 16 HE2 MET 16 -12.525 3.534 -5.610 132 HE3 MET 16 HE3 MET 16 -11.891 3.031 -7.194 133 H ALA 17 H ALA 17 -7.050 -1.497 -8.128 134 HA ALA 17 HA ALA 17 -5.591 -3.358 -6.421 135 HB1 ALA 17 HB1 ALA 17 -5.685 -3.652 -8.872 136 HB2 ALA 17 HB2 ALA 17 -4.903 -2.069 -9.095 137 HB3 ALA 17 HB3 ALA 17 -4.011 -3.402 -8.324 138 H VAL 18 H VAL 18 -4.943 -2.180 -4.567 139 HA VAL 18 HA VAL 18 -3.834 0.442 -4.717 140 HB VAL 18 HB VAL 18 -3.426 -1.714 -2.597 141 HG11 VAL 18 HG11 VAL 18 -3.205 0.331 -1.118 142 HG12 VAL 18 HG12 VAL 18 -1.884 0.147 -2.295 143 HG13 VAL 18 HG13 VAL 18 -3.186 1.325 -2.586 144 HG21 VAL 18 HG21 VAL 18 -5.577 0.430 -2.881 145 HG22 VAL 18 HG22 VAL 18 -5.824 -1.322 -3.072 146 HG23 VAL 18 HG23 VAL 18 -5.372 -0.660 -1.490 147 H THR 19 H THR 19 -2.589 -2.679 -5.494 148 HA THR 19 HA THR 19 0.104 -2.504 -4.931 149 HB THR 19 HB THR 19 -1.235 -3.652 -7.411 150 HG1 THR 19 HG1 THR 19 -1.321 -5.514 -6.105 151 HG21 THR 19 HG21 THR 19 0.690 -5.235 -7.363 152 HG22 THR 19 HG22 THR 19 1.219 -3.556 -7.625 153 HG23 THR 19 HG23 THR 19 1.399 -4.304 -6.021 154 H LYS 20 H LYS 20 -1.723 -0.913 -7.561 155 HA LYS 20 HA LYS 20 0.448 -0.207 -9.203 156 HB2 LYS 20 HB2 LYS 20 -2.125 1.313 -8.633 157 HB3 LYS 20 HB3 LYS 20 -1.057 1.574 -10.027 158 HG2 LYS 20 HG2 LYS 20 -1.455 -0.741 -10.783 159 HG3 LYS 20 HG3 LYS 20 -2.500 -1.031 -9.372 160 HD2 LYS 20 HD2 LYS 20 -4.001 0.797 -10.116 161 HD3 LYS 20 HD3 LYS 20 -2.968 1.059 -11.541 162 HE2 LYS 20 HE2 LYS 20 -3.401 -1.253 -12.288 163 HE3 LYS 20 HE3 LYS 20 -4.407 -1.537 -10.855 164 HZ1 LYS 20 HZ1 LYS 20 -5.729 -0.993 -12.751 165 HZ2 LYS 20 HZ2 LYS 20 -5.869 0.196 -11.620 166 HZ3 LYS 20 HZ3 LYS 20 -4.939 0.440 -12.960 167 H ALA 21 H ALA 21 -0.581 1.143 -6.087 168 HA ALA 21 HA ALA 21 0.981 3.589 -6.482 169 HB1 ALA 21 HB1 ALA 21 -0.451 2.416 -4.063 170 HB2 ALA 21 HB2 ALA 21 0.301 4.026 -4.129 171 HB3 ALA 21 HB3 ALA 21 -1.091 3.654 -5.172 172 H LEU 22 H LEU 22 1.409 0.349 -5.120 173 HA LEU 22 HA LEU 22 3.718 1.146 -3.515 174 HB2 LEU 22 HB2 LEU 22 2.401 -1.506 -4.236 175 HB3 LEU 22 HB3 LEU 22 3.917 -1.408 -3.335 176 HG LEU 22 HG LEU 22 2.224 -1.649 -1.718 177 HD11 LEU 22 HD11 LEU 22 3.971 0.137 -1.291 178 HD12 LEU 22 HD12 LEU 22 2.759 1.341 -1.771 179 HD13 LEU 22 HD13 LEU 22 2.466 0.310 -0.354 180 HD21 LEU 22 HD21 LEU 22 0.753 0.699 -2.971 181 HD22 LEU 22 HD22 LEU 22 0.292 -1.017 -3.114 182 HD23 LEU 22 HD23 LEU 22 0.261 -0.214 -1.529 183 H LYS 23 H LYS 23 3.087 -0.352 -6.699 184 HA LYS 23 HA LYS 23 5.695 -1.329 -7.122 185 HB2 LYS 23 HB2 LYS 23 3.559 -1.844 -8.386 186 HB3 LYS 23 HB3 LYS 23 3.798 -0.319 -9.270 187 HG2 LYS 23 HG2 LYS 23 5.988 -1.119 -10.073 188 HG3 LYS 23 HG3 LYS 23 5.831 -2.592 -9.088 189 HD2 LYS 23 HD2 LYS 23 3.801 -3.225 -10.361 190 HD3 LYS 23 HD3 LYS 23 3.984 -1.766 -11.365 191 HE2 LYS 23 HE2 LYS 23 6.197 -2.543 -12.100 192 HE3 LYS 23 HE3 LYS 23 6.049 -4.005 -11.104 193 HZ1 LYS 23 HZ1 LYS 23 5.396 -3.982 -13.598 194 HZ2 LYS 23 HZ2 LYS 23 4.495 -4.857 -12.506 195 HZ3 LYS 23 HZ3 LYS 23 3.979 -3.386 -13.044 196 H LYS 24 H LYS 24 4.485 1.956 -7.230 197 HA LYS 24 HA LYS 24 6.483 2.984 -9.034 198 HB2 LYS 24 HB2 LYS 24 4.788 4.340 -6.898 199 HB3 LYS 24 HB3 LYS 24 5.708 5.176 -8.168 200 HG2 LYS 24 HG2 LYS 24 4.357 4.090 -9.905 201 HG3 LYS 24 HG3 LYS 24 3.472 3.166 -8.668 202 HD2 LYS 24 HD2 LYS 24 2.645 5.260 -7.667 203 HD3 LYS 24 HD3 LYS 24 3.555 6.206 -8.868 204 HE2 LYS 24 HE2 LYS 24 2.254 5.174 -10.687 205 HE3 LYS 24 HE3 LYS 24 1.355 4.197 -9.508 206 HZ1 LYS 24 HZ1 LYS 24 0.482 6.194 -8.574 207 HZ2 LYS 24 HZ2 LYS 24 1.384 7.134 -9.580 208 HZ3 LYS 24 HZ3 LYS 24 0.183 6.188 -10.196 209 H VAL 25 H VAL 25 6.657 1.860 -5.783 210 HA VAL 25 HA VAL 25 8.590 3.807 -4.852 211 HB VAL 25 HB VAL 25 7.632 1.111 -3.836 212 HG11 VAL 25 HG11 VAL 25 8.761 1.688 -1.724 213 HG12 VAL 25 HG12 VAL 25 9.926 1.531 -3.061 214 HG13 VAL 25 HG13 VAL 25 9.444 3.145 -2.485 215 HG21 VAL 25 HG21 VAL 25 6.466 2.521 -2.161 216 HG22 VAL 25 HG22 VAL 25 7.108 3.981 -2.949 217 HG23 VAL 25 HG23 VAL 25 5.959 2.934 -3.814 218 HA PRO 26 HA PRO 26 12.121 2.090 -6.919 219 HB2 PRO 26 HB2 PRO 26 13.507 3.260 -4.513 220 HB3 PRO 26 HB3 PRO 26 13.932 3.434 -6.249 221 HG2 PRO 26 HG2 PRO 26 12.683 5.454 -4.947 222 HG3 PRO 26 HG3 PRO 26 12.152 4.985 -6.598 223 HD2 PRO 26 HD2 PRO 26 10.906 4.238 -3.946 224 HD3 PRO 26 HD3 PRO 26 10.112 4.766 -5.465 225 H GLY 27 H GLY 27 12.940 0.053 -6.835 226 HA2 GLY 27 HA2 GLY 27 14.180 -1.683 -5.921 227 HA3 GLY 27 HA3 GLY 27 13.910 -1.030 -4.296 228 H VAL 28 H VAL 28 10.919 -0.841 -4.824 229 HA VAL 28 HA VAL 28 10.270 -3.504 -3.898 230 HB VAL 28 HB VAL 28 8.583 -1.119 -4.740 231 HG11 VAL 28 HG11 VAL 28 7.312 -3.198 -5.103 232 HG12 VAL 28 HG12 VAL 28 7.736 -3.757 -3.468 233 HG13 VAL 28 HG13 VAL 28 6.693 -2.333 -3.683 234 HG21 VAL 28 HG21 VAL 28 9.250 -2.361 -2.033 235 HG22 VAL 28 HG22 VAL 28 9.968 -0.874 -2.693 236 HG23 VAL 28 HG23 VAL 28 8.237 -0.924 -2.299 237 H GLU 29 H GLU 29 9.762 -5.266 -5.020 238 HA GLU 29 HA GLU 29 9.048 -4.888 -7.897 239 HB2 GLU 29 HB2 GLU 29 11.172 -6.542 -6.606 240 HB3 GLU 29 HB3 GLU 29 10.263 -7.280 -7.949 241 HG2 GLU 29 HG2 GLU 29 10.695 -5.292 -9.355 242 HG3 GLU 29 HG3 GLU 29 11.651 -4.576 -8.044 243 H LYS 30 H LYS 30 8.392 -6.507 -4.840 244 HA LYS 30 HA LYS 30 6.072 -7.773 -6.206 245 HB2 LYS 30 HB2 LYS 30 7.825 -8.995 -4.044 246 HB3 LYS 30 HB3 LYS 30 6.252 -9.638 -4.563 247 HG2 LYS 30 HG2 LYS 30 7.141 -9.759 -6.915 248 HG3 LYS 30 HG3 LYS 30 8.746 -9.324 -6.279 249 HD2 LYS 30 HD2 LYS 30 8.691 -11.311 -4.798 250 HD3 LYS 30 HD3 LYS 30 7.072 -11.722 -5.410 251 HE2 LYS 30 HE2 LYS 30 8.009 -11.899 -7.709 252 HE3 LYS 30 HE3 LYS 30 9.629 -11.572 -7.057 253 HZ1 LYS 30 HZ1 LYS 30 9.411 -13.545 -5.721 254 HZ2 LYS 30 HZ2 LYS 30 7.909 -13.844 -6.334 255 HZ3 LYS 30 HZ3 LYS 30 9.230 -13.907 -7.318 256 H VAL 31 H VAL 31 4.185 -7.973 -4.963 257 HA VAL 31 HA VAL 31 4.041 -6.465 -2.434 258 HB VAL 31 HB VAL 31 2.401 -5.841 -4.927 259 HG11 VAL 31 HG11 VAL 31 2.314 -4.651 -2.123 260 HG12 VAL 31 HG12 VAL 31 1.408 -4.046 -3.529 261 HG13 VAL 31 HG13 VAL 31 1.058 -5.661 -2.876 262 HG21 VAL 31 HG21 VAL 31 3.447 -3.595 -4.749 263 HG22 VAL 31 HG22 VAL 31 4.459 -4.185 -3.409 264 HG23 VAL 31 HG23 VAL 31 4.652 -4.865 -5.042 265 H GLU 32 H GLU 32 2.149 -7.052 -1.216 266 HA GLU 32 HA GLU 32 0.474 -9.198 -2.375 267 HB2 GLU 32 HB2 GLU 32 2.359 -10.270 -1.170 268 HB3 GLU 32 HB3 GLU 32 1.904 -9.387 0.306 269 HG2 GLU 32 HG2 GLU 32 -0.324 -10.464 0.260 270 HG3 GLU 32 HG3 GLU 32 0.112 -11.311 -1.238 271 H VAL 33 H VAL 33 -1.345 -7.911 -2.430 272 HA VAL 33 HA VAL 33 -2.061 -6.408 0.014 273 HB VAL 33 HB VAL 33 -3.731 -5.329 -1.412 274 HG11 VAL 33 HG11 VAL 33 -1.379 -4.493 -1.403 275 HG12 VAL 33 HG12 VAL 33 -1.036 -5.513 -2.820 276 HG13 VAL 33 HG13 VAL 33 -2.208 -4.183 -2.947 277 HG21 VAL 33 HG21 VAL 33 -2.690 -7.174 -3.607 278 HG22 VAL 33 HG22 VAL 33 -4.303 -7.253 -2.856 279 HG23 VAL 33 HG23 VAL 33 -3.843 -5.839 -3.828 280 H SER 34 H SER 34 -4.191 -6.574 0.913 281 HA SER 34 HA SER 34 -5.641 -9.086 0.254 282 HB2 SER 34 HB2 SER 34 -4.357 -9.381 2.348 283 HB3 SER 34 HB3 SER 34 -5.138 -7.932 3.024 284 HG SER 34 HG SER 34 -6.063 -10.461 2.843 285 H LEU 35 H LEU 35 -7.329 -8.267 -0.849 286 HA LEU 35 HA LEU 35 -8.305 -5.631 -0.520 287 HB2 LEU 35 HB2 LEU 35 -9.709 -8.043 -1.718 288 HB3 LEU 35 HB3 LEU 35 -10.069 -6.341 -2.051 289 HG LEU 35 HG LEU 35 -7.458 -7.774 -2.674 290 HD11 LEU 35 HD11 LEU 35 -8.151 -7.536 -5.032 291 HD12 LEU 35 HD12 LEU 35 -9.329 -8.499 -4.108 292 HD13 LEU 35 HD13 LEU 35 -9.685 -6.803 -4.510 293 HD21 LEU 35 HD21 LEU 35 -8.274 -5.045 -3.699 294 HD22 LEU 35 HD22 LEU 35 -7.357 -5.235 -2.173 295 HD23 LEU 35 HD23 LEU 35 -6.683 -5.806 -3.711 296 H GLU 36 H GLU 36 -8.974 -8.524 1.327 297 HA GLU 36 HA GLU 36 -11.604 -7.575 2.212 298 HB2 GLU 36 HB2 GLU 36 -9.799 -9.856 3.113 299 HB3 GLU 36 HB3 GLU 36 -11.428 -9.537 3.754 300 HG2 GLU 36 HG2 GLU 36 -12.381 -9.780 1.493 301 HG3 GLU 36 HG3 GLU 36 -10.762 -10.090 0.835 302 H LYS 37 H LYS 37 -8.219 -7.453 3.279 303 HA LYS 37 HA LYS 37 -9.070 -6.436 5.924 304 HB2 LYS 37 HB2 LYS 37 -6.308 -7.080 4.828 305 HB3 LYS 37 HB3 LYS 37 -6.715 -6.739 6.523 306 HG2 LYS 37 HG2 LYS 37 -8.096 -8.765 6.632 307 HG3 LYS 37 HG3 LYS 37 -7.832 -9.066 4.898 308 HD2 LYS 37 HD2 LYS 37 -5.372 -9.203 5.331 309 HD3 LYS 37 HD3 LYS 37 -5.703 -9.068 7.075 310 HE2 LYS 37 HE2 LYS 37 -7.073 -11.111 6.987 311 HE3 LYS 37 HE3 LYS 37 -6.848 -11.207 5.229 312 HZ1 LYS 37 HZ1 LYS 37 -5.356 -12.657 6.354 313 HZ2 LYS 37 HZ2 LYS 37 -4.498 -11.467 5.611 314 HZ3 LYS 37 HZ3 LYS 37 -4.721 -11.421 7.244 315 H GLY 38 H GLY 38 -8.075 -5.295 2.822 316 HA2 GLY 38 HA2 GLY 38 -7.589 -3.177 2.066 317 HA3 GLY 38 HA3 GLY 38 -8.092 -2.538 3.650 318 H GLU 39 H GLU 39 -5.720 -5.087 3.646 319 HA GLU 39 HA GLU 39 -3.660 -3.135 4.511 320 HB2 GLU 39 HB2 GLU 39 -4.005 -6.123 4.949 321 HB3 GLU 39 HB3 GLU 39 -2.598 -5.185 5.505 322 HG2 GLU 39 HG2 GLU 39 -4.017 -3.765 6.887 323 HG3 GLU 39 HG3 GLU 39 -5.477 -4.548 6.262 324 H ALA 40 H ALA 40 -1.436 -3.466 3.793 325 HA ALA 40 HA ALA 40 -1.133 -5.051 1.300 326 HB1 ALA 40 HB1 ALA 40 -1.246 -2.092 1.572 327 HB2 ALA 40 HB2 ALA 40 0.134 -2.727 0.617 328 HB3 ALA 40 HB3 ALA 40 -1.542 -3.113 0.171 329 H LEU 41 H LEU 41 0.606 -6.250 1.563 330 HA LEU 41 HA LEU 41 2.901 -5.279 3.194 331 HB2 LEU 41 HB2 LEU 41 2.092 -8.030 2.135 332 HB3 LEU 41 HB3 LEU 41 3.640 -7.680 2.908 333 HG LEU 41 HG LEU 41 2.281 -8.669 4.566 334 HD11 LEU 41 HD11 LEU 41 3.597 -6.665 5.268 335 HD12 LEU 41 HD12 LEU 41 2.147 -5.662 5.021 336 HD13 LEU 41 HD13 LEU 41 2.152 -6.931 6.268 337 HD21 LEU 41 HD21 LEU 41 0.063 -7.914 5.182 338 HD22 LEU 41 HD22 LEU 41 0.137 -6.582 4.011 339 HD23 LEU 41 HD23 LEU 41 0.090 -8.269 3.439 340 H VAL 42 H VAL 42 5.029 -5.395 2.243 341 HA VAL 42 HA VAL 42 5.048 -5.787 -0.705 342 HB VAL 42 HB VAL 42 6.540 -3.828 -0.931 343 HG11 VAL 42 HG11 VAL 42 4.790 -2.226 -0.984 344 HG12 VAL 42 HG12 VAL 42 4.009 -3.789 -1.225 345 HG13 VAL 42 HG13 VAL 42 3.925 -3.016 0.371 346 HG21 VAL 42 HG21 VAL 42 5.737 -3.254 1.954 347 HG22 VAL 42 HG22 VAL 42 7.361 -3.738 1.409 348 HG23 VAL 42 HG23 VAL 42 6.680 -2.179 0.895 349 H GLU 43 H GLU 43 7.253 -6.067 -1.591 350 HA GLU 43 HA GLU 43 9.273 -6.884 0.399 351 HB2 GLU 43 HB2 GLU 43 8.058 -8.935 -0.292 352 HB3 GLU 43 HB3 GLU 43 8.457 -8.585 -1.989 353 HG2 GLU 43 HG2 GLU 43 10.867 -8.678 -1.445 354 HG3 GLU 43 HG3 GLU 43 10.480 -8.961 0.262 355 H GLY 44 H GLY 44 10.641 -5.219 -0.015 356 HA2 GLY 44 HA2 GLY 44 12.008 -5.135 -2.577 357 HA3 GLY 44 HA3 GLY 44 11.015 -3.698 -2.234 358 H THR 45 H THR 45 13.434 -2.909 -2.440 359 HA THR 45 HA THR 45 14.684 -2.987 0.263 360 HB THR 45 HB THR 45 16.750 -2.339 -0.967 361 HG1 THR 45 HG1 THR 45 16.643 -2.482 -3.253 362 HG21 THR 45 HG21 THR 45 15.349 -4.806 -2.092 363 HG22 THR 45 HG22 THR 45 17.103 -4.509 -2.081 364 HG23 THR 45 HG23 THR 45 16.229 -4.728 -0.547 365 H ALA 46 H ALA 46 12.379 -1.245 -0.706 366 HA ALA 46 HA ALA 46 13.511 1.389 -1.060 367 HB1 ALA 46 HB1 ALA 46 10.687 0.826 -0.158 368 HB2 ALA 46 HB2 ALA 46 11.295 2.113 -1.205 369 HB3 ALA 46 HB3 ALA 46 11.218 0.448 -1.829 370 H ASP 47 H ASP 47 12.787 3.224 0.482 371 HA ASP 47 HA ASP 47 13.476 2.459 3.236 372 HB2 ASP 47 HB2 ASP 47 12.930 5.129 1.878 373 HB3 ASP 47 HB3 ASP 47 13.377 4.946 3.585 374 HA PRO 48 HA PRO 48 9.439 2.312 4.885 375 HB2 PRO 48 HB2 PRO 48 10.416 4.312 6.921 376 HB3 PRO 48 HB3 PRO 48 9.524 2.778 7.200 377 HG2 PRO 48 HG2 PRO 48 12.196 2.875 7.606 378 HG3 PRO 48 HG3 PRO 48 11.480 1.483 6.721 379 HD2 PRO 48 HD2 PRO 48 12.870 3.915 5.583 380 HD3 PRO 48 HD3 PRO 48 13.039 2.194 5.114 381 H LYS 49 H LYS 49 10.837 5.632 4.598 382 HA LYS 49 HA LYS 49 8.267 6.945 4.703 383 HB2 LYS 49 HB2 LYS 49 11.034 7.735 3.732 384 HB3 LYS 49 HB3 LYS 49 9.618 8.768 3.459 385 HG2 LYS 49 HG2 LYS 49 9.150 8.738 5.919 386 HG3 LYS 49 HG3 LYS 49 10.699 7.888 6.150 387 HD2 LYS 49 HD2 LYS 49 11.773 9.882 6.060 388 HD3 LYS 49 HD3 LYS 49 11.194 10.093 4.392 389 HE2 LYS 49 HE2 LYS 49 9.035 10.983 5.323 390 HE3 LYS 49 HE3 LYS 49 9.748 10.917 6.947 391 HZ1 LYS 49 HZ1 LYS 49 10.808 12.461 4.678 392 HZ2 LYS 49 HZ2 LYS 49 9.922 13.083 5.914 393 HZ3 LYS 49 HZ3 LYS 49 11.418 12.453 6.209 394 H ALA 50 H ALA 50 10.376 5.755 2.036 395 HA ALA 50 HA ALA 50 8.957 6.915 -0.068 396 HB1 ALA 50 HB1 ALA 50 11.148 5.798 -0.290 397 HB2 ALA 50 HB2 ALA 50 10.374 4.221 -0.003 398 HB3 ALA 50 HB3 ALA 50 9.973 5.158 -1.461 399 H LEU 51 H LEU 51 8.209 4.045 1.872 400 HA LEU 51 HA LEU 51 6.255 3.011 0.047 401 HB2 LEU 51 HB2 LEU 51 7.578 1.818 1.930 402 HB3 LEU 51 HB3 LEU 51 6.360 2.495 3.031 403 HG LEU 51 HG LEU 51 4.593 1.454 1.485 404 HD11 LEU 51 HD11 LEU 51 5.423 -0.454 0.100 405 HD12 LEU 51 HD12 LEU 51 6.039 1.108 -0.484 406 HD13 LEU 51 HD13 LEU 51 7.096 0.032 0.460 407 HD21 LEU 51 HD21 LEU 51 5.356 0.479 3.678 408 HD22 LEU 51 HD22 LEU 51 4.812 -0.745 2.502 409 HD23 LEU 51 HD23 LEU 51 6.547 -0.485 2.782 410 H VAL 52 H VAL 52 5.860 4.573 3.293 411 HA VAL 52 HA VAL 52 3.020 4.777 3.006 412 HB VAL 52 HB VAL 52 4.898 6.285 4.866 413 HG11 VAL 52 HG11 VAL 52 1.953 5.513 5.089 414 HG12 VAL 52 HG12 VAL 52 2.914 6.306 6.359 415 HG13 VAL 52 HG13 VAL 52 2.582 7.158 4.836 416 HG21 VAL 52 HG21 VAL 52 4.440 4.422 6.443 417 HG22 VAL 52 HG22 VAL 52 3.542 3.571 5.164 418 HG23 VAL 52 HG23 VAL 52 5.291 3.854 4.991 419 H GLN 53 H GLN 53 5.683 6.843 1.943 420 HA GLN 53 HA GLN 53 4.046 9.237 1.811 421 HB2 GLN 53 HB2 GLN 53 6.535 9.218 2.094 422 HB3 GLN 53 HB3 GLN 53 6.685 8.568 0.446 423 HG2 GLN 53 HG2 GLN 53 5.494 10.586 -0.416 424 HG3 GLN 53 HG3 GLN 53 5.425 11.228 1.237 425 HE21 GLN 53 HE21 GLN 53 8.333 12.922 -0.192 426 HE22 GLN 53 HE22 GLN 53 6.583 12.969 -0.249 427 H ALA 54 H ALA 54 4.999 6.600 -0.401 428 HA ALA 54 HA ALA 54 4.222 7.822 -2.814 429 HB1 ALA 54 HB1 ALA 54 4.082 5.500 -3.668 430 HB2 ALA 54 HB2 ALA 54 5.543 5.757 -2.690 431 HB3 ALA 54 HB3 ALA 54 4.152 4.888 -1.999 432 H VAL 55 H VAL 55 2.326 5.554 -0.725 433 HA VAL 55 HA VAL 55 0.005 5.746 -2.361 434 HB VAL 55 HB VAL 55 -1.100 4.625 -0.418 435 HG11 VAL 55 HG11 VAL 55 -0.228 2.869 -1.540 436 HG12 VAL 55 HG12 VAL 55 1.315 3.717 -1.850 437 HG13 VAL 55 HG13 VAL 55 1.044 2.863 -0.315 438 HG21 VAL 55 HG21 VAL 55 0.272 4.050 1.542 439 HG22 VAL 55 HG22 VAL 55 1.628 4.999 0.895 440 HG23 VAL 55 HG23 VAL 55 0.121 5.811 1.382 441 H GLU 56 H GLU 56 1.209 7.802 0.267 442 HA GLU 56 HA GLU 56 -1.369 8.924 0.888 443 HB2 GLU 56 HB2 GLU 56 0.547 9.014 2.436 444 HB3 GLU 56 HB3 GLU 56 1.452 10.012 1.276 445 HG2 GLU 56 HG2 GLU 56 -0.281 11.769 1.430 446 HG3 GLU 56 HG3 GLU 56 -1.206 10.767 2.566 447 H GLU 57 H GLU 57 1.261 9.699 -1.398 448 HA GLU 57 HA GLU 57 0.073 12.199 -2.267 449 HB2 GLU 57 HB2 GLU 57 2.449 10.547 -2.871 450 HB3 GLU 57 HB3 GLU 57 1.748 11.347 -4.299 451 HG2 GLU 57 HG2 GLU 57 1.800 13.511 -3.197 452 HG3 GLU 57 HG3 GLU 57 2.360 12.766 -1.685 453 H GLU 58 H GLU 58 -0.373 8.800 -2.951 454 HA GLU 58 HA GLU 58 -1.725 9.192 -5.492 455 HB2 GLU 58 HB2 GLU 58 -1.568 6.883 -3.523 456 HB3 GLU 58 HB3 GLU 58 -2.445 6.799 -5.066 457 HG2 GLU 58 HG2 GLU 58 0.473 7.627 -4.920 458 HG3 GLU 58 HG3 GLU 58 -0.032 5.932 -5.060 459 H GLY 59 H GLY 59 -2.506 10.041 -2.337 460 HA2 GLY 59 HA2 GLY 59 -4.481 11.231 -1.871 461 HA3 GLY 59 HA3 GLY 59 -5.329 10.329 -3.135 462 H TYR 60 H TYR 60 -3.550 8.099 -1.248 463 HA TYR 60 HA TYR 60 -5.842 7.763 0.621 464 HB2 TYR 60 HB2 TYR 60 -4.694 5.668 -1.243 465 HB3 TYR 60 HB3 TYR 60 -5.739 5.304 0.136 466 HD1 TYR 60 HD1 TYR 60 -5.603 6.582 -3.283 467 HD2 TYR 60 HD2 TYR 60 -8.091 6.061 0.181 468 HE1 TYR 60 HE1 TYR 60 -7.616 6.972 -4.679 469 HE2 TYR 60 HE2 TYR 60 -10.112 6.450 -1.203 470 HH TYR 60 HH TYR 60 -10.923 6.954 -3.288 471 H LYS 61 H LYS 61 -5.020 7.885 2.601 472 HA LYS 61 HA LYS 61 -2.292 7.493 3.272 473 HB2 LYS 61 HB2 LYS 61 -4.824 7.351 4.963 474 HB3 LYS 61 HB3 LYS 61 -3.177 7.428 5.617 475 HG2 LYS 61 HG2 LYS 61 -2.818 9.606 4.522 476 HG3 LYS 61 HG3 LYS 61 -4.457 9.535 3.828 477 HD2 LYS 61 HD2 LYS 61 -5.437 9.469 6.079 478 HD3 LYS 61 HD3 LYS 61 -3.813 9.476 6.809 479 HE2 LYS 61 HE2 LYS 61 -3.355 11.690 5.856 480 HE3 LYS 61 HE3 LYS 61 -4.904 11.650 4.992 481 HZ1 LYS 61 HZ1 LYS 61 -4.461 11.891 7.866 482 HZ2 LYS 61 HZ2 LYS 61 -5.272 12.896 6.863 483 HZ3 LYS 61 HZ3 LYS 61 -5.931 11.433 7.240 484 H ALA 62 H ALA 62 -1.547 5.821 4.945 485 HA ALA 62 HA ALA 62 -2.940 3.253 4.850 486 HB1 ALA 62 HB1 ALA 62 -1.653 3.276 2.740 487 HB2 ALA 62 HB2 ALA 62 -0.164 3.609 3.663 488 HB3 ALA 62 HB3 ALA 62 -1.035 2.071 3.892 489 H GLU 63 H GLU 63 -3.033 3.142 7.059 490 HA GLU 63 HA GLU 63 -0.900 3.937 8.798 491 HB2 GLU 63 HB2 GLU 63 -3.329 2.153 9.223 492 HB3 GLU 63 HB3 GLU 63 -2.281 2.763 10.519 493 HG2 GLU 63 HG2 GLU 63 -2.835 5.080 9.917 494 HG3 GLU 63 HG3 GLU 63 -3.823 4.510 8.561 495 H VAL 64 H VAL 64 1.058 2.903 8.692 496 HA VAL 64 HA VAL 64 1.468 0.161 8.139 497 HB VAL 64 HB VAL 64 3.692 0.602 9.246 498 HG11 VAL 64 HG11 VAL 64 3.349 1.010 6.862 499 HG12 VAL 64 HG12 VAL 64 2.690 2.628 7.206 500 HG13 VAL 64 HG13 VAL 64 4.399 2.270 7.545 501 HG21 VAL 64 HG21 VAL 64 2.525 3.399 9.607 502 HG22 VAL 64 HG22 VAL 64 2.997 2.292 10.918 503 HG23 VAL 64 HG23 VAL 64 4.229 2.950 9.827 504 H LEU 65 H LEU 65 0.446 -1.404 9.269 505 HA LEU 65 HA LEU 65 -0.083 -1.086 12.131 506 HB2 LEU 65 HB2 LEU 65 -0.475 -3.448 10.241 507 HB3 LEU 65 HB3 LEU 65 -1.054 -3.359 11.914 508 HG LEU 65 HG LEU 65 -1.882 -1.492 9.651 509 HD11 LEU 65 HD11 LEU 65 -3.373 -3.722 11.100 510 HD12 LEU 65 HD12 LEU 65 -4.059 -2.645 9.861 511 HD13 LEU 65 HD13 LEU 65 -2.767 -3.787 9.427 512 HD21 LEU 65 HD21 LEU 65 -1.935 -0.361 11.841 513 HD22 LEU 65 HD22 LEU 65 -3.583 -0.707 11.285 514 HD23 LEU 65 HD23 LEU 65 -2.841 -1.726 12.539 515 H ALA 66 H ALA 66 2.201 -0.771 12.724 516 HA ALA 66 HA ALA 66 3.776 -3.311 12.703 517 HB1 ALA 66 HB1 ALA 66 4.511 -0.377 12.672 518 HB2 ALA 66 HB2 ALA 66 5.664 -1.614 13.273 519 HB3 ALA 66 HB3 ALA 66 5.066 -1.668 11.598 Start of MODEL 19 1 H1 MET 1 H MET 1 8.828 -4.143 10.773 2 HA MET 1 HA MET 1 9.746 -3.877 7.971 3 HB2 MET 1 HB2 MET 1 9.645 -6.217 8.866 4 HB3 MET 1 HB3 MET 1 7.902 -6.003 9.121 5 HG2 MET 1 HG2 MET 1 7.583 -5.599 6.725 6 HG3 MET 1 HG3 MET 1 9.332 -5.654 6.459 7 HE1 MET 1 HE1 MET 1 7.287 -7.266 4.719 8 HE2 MET 1 HE2 MET 1 9.052 -7.329 4.499 9 HE3 MET 1 HE3 MET 1 8.114 -8.837 4.595 10 H LEU 2 H LEU 2 7.896 -3.626 6.380 11 HA LEU 2 HA LEU 2 6.024 -1.672 7.549 12 HB2 LEU 2 HB2 LEU 2 6.536 -2.485 4.659 13 HB3 LEU 2 HB3 LEU 2 5.582 -1.089 5.204 14 HG LEU 2 HG LEU 2 8.555 -1.531 5.748 15 HD11 LEU 2 HD11 LEU 2 7.143 0.431 3.897 16 HD12 LEU 2 HD12 LEU 2 8.896 0.326 4.180 17 HD13 LEU 2 HD13 LEU 2 8.048 -1.015 3.379 18 HD21 LEU 2 HD21 LEU 2 7.445 -0.238 7.539 19 HD22 LEU 2 HD22 LEU 2 8.495 0.808 6.562 20 HD23 LEU 2 HD23 LEU 2 6.733 0.847 6.318 21 H LYS 3 H LYS 3 3.755 -1.774 7.213 22 HA LYS 3 HA LYS 3 2.521 -4.232 6.259 23 HB2 LYS 3 HB2 LYS 3 3.453 -4.718 8.582 24 HB3 LYS 3 HB3 LYS 3 2.297 -3.535 9.221 25 HG2 LYS 3 HG2 LYS 3 0.424 -4.872 8.416 26 HG3 LYS 3 HG3 LYS 3 1.524 -5.911 7.480 27 HD2 LYS 3 HD2 LYS 3 2.650 -6.574 9.619 28 HD3 LYS 3 HD3 LYS 3 1.397 -5.680 10.510 29 HE2 LYS 3 HE2 LYS 3 -0.343 -7.118 9.540 30 HE3 LYS 3 HE3 LYS 3 0.873 -7.950 8.550 31 HZ1 LYS 3 HZ1 LYS 3 1.915 -8.707 10.544 32 HZ2 LYS 3 HZ2 LYS 3 0.805 -7.929 11.485 33 HZ3 LYS 3 HZ3 LYS 3 0.339 -9.184 10.517 34 H LEU 4 H LEU 4 1.598 -2.523 4.871 35 HA LEU 4 HA LEU 4 0.558 -0.129 6.151 36 HB2 LEU 4 HB2 LEU 4 0.979 -1.194 3.379 37 HB3 LEU 4 HB3 LEU 4 -0.276 0.038 3.594 38 HG LEU 4 HG LEU 4 1.336 1.538 4.701 39 HD11 LEU 4 HD11 LEU 4 3.745 0.991 4.661 40 HD12 LEU 4 HD12 LEU 4 2.839 -0.166 5.660 41 HD13 LEU 4 HD13 LEU 4 3.366 -0.628 4.024 42 HD21 LEU 4 HD21 LEU 4 1.017 1.649 2.247 43 HD22 LEU 4 HD22 LEU 4 2.689 2.053 2.699 44 HD23 LEU 4 HD23 LEU 4 2.312 0.449 2.026 45 H LYS 5 H LYS 5 -1.403 0.137 6.977 46 HA LYS 5 HA LYS 5 -3.590 -1.649 6.064 47 HB2 LYS 5 HB2 LYS 5 -3.077 -1.452 8.506 48 HB3 LYS 5 HB3 LYS 5 -3.530 0.261 8.444 49 HG2 LYS 5 HG2 LYS 5 -5.479 -1.723 7.292 50 HG3 LYS 5 HG3 LYS 5 -5.256 -1.739 9.052 51 HD2 LYS 5 HD2 LYS 5 -5.695 0.696 9.147 52 HD3 LYS 5 HD3 LYS 5 -6.019 0.689 7.396 53 HE2 LYS 5 HE2 LYS 5 -7.820 -0.957 7.742 54 HE3 LYS 5 HE3 LYS 5 -7.546 -0.919 9.495 55 HZ1 LYS 5 HZ1 LYS 5 -9.310 0.583 8.356 56 HZ2 LYS 5 HZ2 LYS 5 -8.414 1.172 9.624 57 HZ3 LYS 5 HZ3 LYS 5 -8.037 1.564 8.070 58 H VAL 6 H VAL 6 -4.099 -0.686 4.088 59 HA VAL 6 HA VAL 6 -4.053 2.121 3.643 60 HB VAL 6 HB VAL 6 -5.571 -0.037 2.126 61 HG11 VAL 6 HG11 VAL 6 -4.398 2.650 1.280 62 HG12 VAL 6 HG12 VAL 6 -5.228 1.493 0.213 63 HG13 VAL 6 HG13 VAL 6 -6.129 2.310 1.512 64 HG21 VAL 6 HG21 VAL 6 -3.201 -0.670 2.412 65 HG22 VAL 6 HG22 VAL 6 -3.517 -0.173 0.736 66 HG23 VAL 6 HG23 VAL 6 -2.695 0.943 1.852 67 H GLU 7 H GLU 7 -5.521 3.676 4.011 68 HA GLU 7 HA GLU 7 -7.971 3.029 5.440 69 HB2 GLU 7 HB2 GLU 7 -6.535 5.020 5.939 70 HB3 GLU 7 HB3 GLU 7 -6.926 5.671 4.336 71 HG2 GLU 7 HG2 GLU 7 -8.364 6.681 6.051 72 HG3 GLU 7 HG3 GLU 7 -9.327 5.697 4.932 73 H GLY 8 H GLY 8 -10.106 3.357 4.702 74 HA2 GLY 8 HA2 GLY 8 -10.439 3.267 1.762 75 HA3 GLY 8 HA3 GLY 8 -11.632 2.798 2.990 76 H MET 9 H MET 9 -9.691 5.784 2.294 77 HA MET 9 HA MET 9 -11.724 7.516 3.303 78 HB2 MET 9 HB2 MET 9 -9.414 8.078 1.398 79 HB3 MET 9 HB3 MET 9 -10.368 9.302 2.261 80 HG2 MET 9 HG2 MET 9 -9.666 8.300 4.423 81 HG3 MET 9 HG3 MET 9 -8.688 7.120 3.538 82 HE1 MET 9 HE1 MET 9 -7.847 11.664 3.796 83 HE2 MET 9 HE2 MET 9 -9.244 10.998 2.921 84 HE3 MET 9 HE3 MET 9 -9.126 10.807 4.687 85 H THR 10 H THR 10 -11.013 6.250 0.027 86 HA THR 10 HA THR 10 -13.565 7.473 -0.856 87 HB THR 10 HB THR 10 -12.500 8.134 -2.980 88 HG1 THR 10 HG1 THR 10 -10.199 8.067 -3.043 89 HG21 THR 10 HG21 THR 10 -12.621 9.776 -1.108 90 HG22 THR 10 HG22 THR 10 -11.016 9.241 -0.555 91 HG23 THR 10 HG23 THR 10 -11.194 10.033 -2.136 92 H CYS 11 H CYS 11 -14.200 6.527 -3.063 93 HA CYS 11 HA CYS 11 -14.898 4.684 -4.189 94 HB2 CYS 11 HB2 CYS 11 -11.985 3.883 -3.854 95 HB3 CYS 11 HB3 CYS 11 -13.100 3.344 -5.131 96 HG CYS 11 HG CYS 11 -13.630 5.731 -6.043 97 H ASN 12 H ASN 12 -15.400 4.493 -1.350 98 HA ASN 12 HA ASN 12 -14.523 1.960 -0.356 99 HB2 ASN 12 HB2 ASN 12 -16.203 2.312 1.373 100 HB3 ASN 12 HB3 ASN 12 -15.325 3.822 1.063 101 HD21 ASN 12 HD21 ASN 12 -19.347 3.700 0.735 102 HD22 ASN 12 HD22 ASN 12 -18.365 2.484 1.520 103 H HIS 13 H HIS 13 -16.891 2.750 -2.783 104 HA HIS 13 HA HIS 13 -18.309 0.184 -2.305 105 HB2 HIS 13 HB2 HIS 13 -18.831 2.500 -4.191 106 HB3 HIS 13 HB3 HIS 13 -19.734 0.977 -4.222 107 HD1 HIS 13 HD1 HIS 13 -21.593 0.653 -2.386 108 HD2 HIS 13 HD2 HIS 13 -19.141 4.040 -1.909 109 HE1 HIS 13 HE1 HIS 13 -22.650 2.074 -0.540 110 H CYS 14 H CYS 14 -16.513 1.917 -4.932 111 HA CYS 14 HA CYS 14 -16.192 -0.707 -6.294 112 HB2 CYS 14 HB2 CYS 14 -15.652 2.159 -7.188 113 HB3 CYS 14 HB3 CYS 14 -15.396 0.708 -8.186 114 HG CYS 14 HG CYS 14 -17.600 1.915 -8.925 115 H VAL 15 H VAL 15 -14.277 -1.780 -6.080 116 HA VAL 15 HA VAL 15 -12.124 -0.359 -4.665 117 HB VAL 15 HB VAL 15 -12.982 -2.552 -3.886 118 HG11 VAL 15 HG11 VAL 15 -11.735 -3.615 -6.457 119 HG12 VAL 15 HG12 VAL 15 -12.421 -4.593 -5.140 120 HG13 VAL 15 HG13 VAL 15 -13.477 -3.539 -6.106 121 HG21 VAL 15 HG21 VAL 15 -10.819 -3.560 -3.472 122 HG22 VAL 15 HG22 VAL 15 -10.097 -2.690 -4.846 123 HG23 VAL 15 HG23 VAL 15 -10.652 -1.794 -3.410 124 H MET 16 H MET 16 -9.892 -0.501 -5.366 125 HA MET 16 HA MET 16 -9.511 -1.079 -8.249 126 HB2 MET 16 HB2 MET 16 -8.583 1.448 -6.805 127 HB3 MET 16 HB3 MET 16 -8.127 0.952 -8.445 128 HG2 MET 16 HG2 MET 16 -9.855 2.377 -8.916 129 HG3 MET 16 HG3 MET 16 -10.717 0.836 -8.858 130 HE1 MET 16 HE1 MET 16 -13.317 3.425 -7.480 131 HE2 MET 16 HE2 MET 16 -12.110 3.671 -8.764 132 HE3 MET 16 HE3 MET 16 -13.000 2.133 -8.661 133 H ALA 17 H ALA 17 -7.220 -1.405 -8.785 134 HA ALA 17 HA ALA 17 -5.911 -3.007 -6.772 135 HB1 ALA 17 HB1 ALA 17 -5.837 -3.550 -9.180 136 HB2 ALA 17 HB2 ALA 17 -4.976 -2.026 -9.501 137 HB3 ALA 17 HB3 ALA 17 -4.199 -3.299 -8.530 138 H VAL 18 H VAL 18 -5.285 -1.727 -4.997 139 HA VAL 18 HA VAL 18 -3.966 0.802 -5.311 140 HB VAL 18 HB VAL 18 -3.899 -1.158 -2.975 141 HG11 VAL 18 HG11 VAL 18 -3.590 0.995 -1.675 142 HG12 VAL 18 HG12 VAL 18 -2.208 0.575 -2.717 143 HG13 VAL 18 HG13 VAL 18 -3.362 1.833 -3.221 144 HG21 VAL 18 HG21 VAL 18 -5.799 1.137 -3.627 145 HG22 VAL 18 HG22 VAL 18 -6.211 -0.596 -3.633 146 HG23 VAL 18 HG23 VAL 18 -5.784 0.210 -2.109 147 H THR 19 H THR 19 -2.973 -2.464 -5.791 148 HA THR 19 HA THR 19 -0.303 -2.474 -5.052 149 HB THR 19 HB THR 19 -1.561 -3.668 -7.553 150 HG1 THR 19 HG1 THR 19 -1.744 -5.484 -6.098 151 HG21 THR 19 HG21 THR 19 0.237 -5.355 -7.321 152 HG22 THR 19 HG22 THR 19 0.915 -3.731 -7.564 153 HG23 THR 19 HG23 THR 19 0.904 -4.455 -5.939 154 H LYS 20 H LYS 20 -1.840 -0.938 -7.896 155 HA LYS 20 HA LYS 20 0.502 -0.442 -9.385 156 HB2 LYS 20 HB2 LYS 20 -2.022 1.242 -9.134 157 HB3 LYS 20 HB3 LYS 20 -0.814 1.369 -10.428 158 HG2 LYS 20 HG2 LYS 20 -1.267 -0.984 -11.077 159 HG3 LYS 20 HG3 LYS 20 -2.508 -1.086 -9.802 160 HD2 LYS 20 HD2 LYS 20 -3.732 0.801 -10.864 161 HD3 LYS 20 HD3 LYS 20 -2.504 0.858 -12.152 162 HE2 LYS 20 HE2 LYS 20 -3.038 -1.495 -12.740 163 HE3 LYS 20 HE3 LYS 20 -4.279 -1.521 -11.473 164 HZ1 LYS 20 HZ1 LYS 20 -5.220 -1.076 -13.608 165 HZ2 LYS 20 HZ2 LYS 20 -5.408 0.242 -12.638 166 HZ3 LYS 20 HZ3 LYS 20 -4.255 0.244 -13.820 167 H ALA 21 H ALA 21 -0.664 1.057 -6.410 168 HA ALA 21 HA ALA 21 0.970 3.456 -6.771 169 HB1 ALA 21 HB1 ALA 21 -0.499 2.362 -4.339 170 HB2 ALA 21 HB2 ALA 21 0.171 4.000 -4.522 171 HB3 ALA 21 HB3 ALA 21 -1.187 3.474 -5.545 172 H LEU 22 H LEU 22 1.173 0.286 -5.141 173 HA LEU 22 HA LEU 22 3.477 0.979 -3.534 174 HB2 LEU 22 HB2 LEU 22 2.151 -1.629 -4.387 175 HB3 LEU 22 HB3 LEU 22 3.625 -1.586 -3.416 176 HG LEU 22 HG LEU 22 1.768 -1.899 -1.951 177 HD11 LEU 22 HD11 LEU 22 3.657 -0.363 -1.257 178 HD12 LEU 22 HD12 LEU 22 2.600 1.003 -1.666 179 HD13 LEU 22 HD13 LEU 22 2.124 -0.123 -0.380 180 HD21 LEU 22 HD21 LEU 22 0.612 0.705 -3.017 181 HD22 LEU 22 HD22 LEU 22 -0.005 -0.929 -3.373 182 HD23 LEU 22 HD23 LEU 22 -0.057 -0.297 -1.713 183 H LYS 23 H LYS 23 2.912 -0.506 -6.713 184 HA LYS 23 HA LYS 23 5.495 -1.576 -7.060 185 HB2 LYS 23 HB2 LYS 23 3.313 -2.113 -8.248 186 HB3 LYS 23 HB3 LYS 23 3.610 -0.689 -9.269 187 HG2 LYS 23 HG2 LYS 23 5.738 -1.662 -10.030 188 HG3 LYS 23 HG3 LYS 23 5.554 -3.006 -8.878 189 HD2 LYS 23 HD2 LYS 23 3.450 -3.678 -10.022 190 HD3 LYS 23 HD3 LYS 23 3.720 -2.405 -11.236 191 HE2 LYS 23 HE2 LYS 23 5.818 -3.431 -11.906 192 HE3 LYS 23 HE3 LYS 23 5.708 -4.640 -10.611 193 HZ1 LYS 23 HZ1 LYS 23 4.922 -5.140 -13.020 194 HZ2 LYS 23 HZ2 LYS 23 4.104 -5.760 -11.714 195 HZ3 LYS 23 HZ3 LYS 23 3.532 -4.439 -12.515 196 H LYS 24 H LYS 24 4.414 1.756 -7.372 197 HA LYS 24 HA LYS 24 6.417 2.458 -9.350 198 HB2 LYS 24 HB2 LYS 24 4.714 4.148 -7.480 199 HB3 LYS 24 HB3 LYS 24 5.719 4.783 -8.799 200 HG2 LYS 24 HG2 LYS 24 4.425 3.465 -10.439 201 HG3 LYS 24 HG3 LYS 24 3.424 2.810 -9.124 202 HD2 LYS 24 HD2 LYS 24 2.720 5.120 -8.529 203 HD3 LYS 24 HD3 LYS 24 3.690 5.753 -9.879 204 HE2 LYS 24 HE2 LYS 24 2.340 4.416 -11.469 205 HE3 LYS 24 HE3 LYS 24 1.373 3.789 -10.117 206 HZ1 LYS 24 HZ1 LYS 24 0.714 6.047 -9.642 207 HZ2 LYS 24 HZ2 LYS 24 1.582 6.608 -10.925 208 HZ3 LYS 24 HZ3 LYS 24 0.290 5.617 -11.178 209 H VAL 25 H VAL 25 6.510 2.011 -5.873 210 HA VAL 25 HA VAL 25 8.569 4.006 -5.451 211 HB VAL 25 HB VAL 25 7.449 1.731 -3.784 212 HG11 VAL 25 HG11 VAL 25 8.702 2.725 -1.893 213 HG12 VAL 25 HG12 VAL 25 9.798 2.088 -3.138 214 HG13 VAL 25 HG13 VAL 25 9.510 3.841 -3.018 215 HG21 VAL 25 HG21 VAL 25 6.540 3.663 -2.484 216 HG22 VAL 25 HG22 VAL 25 7.242 4.773 -3.679 217 HG23 VAL 25 HG23 VAL 25 5.954 3.645 -4.165 218 HA PRO 26 HA PRO 26 11.948 1.624 -7.065 219 HB2 PRO 26 HB2 PRO 26 13.429 3.383 -5.116 220 HB3 PRO 26 HB3 PRO 26 13.829 3.025 -6.830 221 HG2 PRO 26 HG2 PRO 26 12.684 5.387 -6.179 222 HG3 PRO 26 HG3 PRO 26 12.087 4.468 -7.606 223 HD2 PRO 26 HD2 PRO 26 10.899 4.589 -4.824 224 HD3 PRO 26 HD3 PRO 26 10.076 4.687 -6.415 225 H GLY 27 H GLY 27 13.078 -0.189 -6.389 226 HA2 GLY 27 HA2 GLY 27 14.229 -1.559 -4.893 227 HA3 GLY 27 HA3 GLY 27 13.608 -0.608 -3.530 228 H VAL 28 H VAL 28 10.794 -0.802 -4.784 229 HA VAL 28 HA VAL 28 10.020 -3.265 -3.439 230 HB VAL 28 HB VAL 28 8.507 -1.227 -5.123 231 HG11 VAL 28 HG11 VAL 28 7.406 -3.418 -5.269 232 HG12 VAL 28 HG12 VAL 28 7.458 -3.575 -3.496 233 HG13 VAL 28 HG13 VAL 28 6.460 -2.310 -4.252 234 HG21 VAL 28 HG21 VAL 28 8.600 -1.763 -2.123 235 HG22 VAL 28 HG22 VAL 28 9.336 -0.376 -2.963 236 HG23 VAL 28 HG23 VAL 28 7.569 -0.556 -2.929 237 H GLU 29 H GLU 29 9.806 -5.263 -4.365 238 HA GLU 29 HA GLU 29 9.726 -5.367 -7.351 239 HB2 GLU 29 HB2 GLU 29 11.494 -6.767 -5.384 240 HB3 GLU 29 HB3 GLU 29 10.850 -7.727 -6.733 241 HG2 GLU 29 HG2 GLU 29 11.613 -5.988 -8.335 242 HG3 GLU 29 HG3 GLU 29 12.376 -5.111 -6.998 243 H LYS 30 H LYS 30 8.513 -6.554 -4.234 244 HA LYS 30 HA LYS 30 6.390 -7.947 -5.781 245 HB2 LYS 30 HB2 LYS 30 7.834 -8.987 -3.312 246 HB3 LYS 30 HB3 LYS 30 6.372 -9.707 -4.023 247 HG2 LYS 30 HG2 LYS 30 7.584 -10.025 -6.171 248 HG3 LYS 30 HG3 LYS 30 9.062 -9.375 -5.420 249 HD2 LYS 30 HD2 LYS 30 9.012 -11.185 -3.742 250 HD3 LYS 30 HD3 LYS 30 7.515 -11.821 -4.464 251 HE2 LYS 30 HE2 LYS 30 8.693 -12.197 -6.600 252 HE3 LYS 30 HE3 LYS 30 10.187 -11.546 -5.898 253 HZ1 LYS 30 HZ1 LYS 30 10.147 -13.326 -4.309 254 HZ2 LYS 30 HZ2 LYS 30 8.759 -13.936 -4.954 255 HZ3 LYS 30 HZ3 LYS 30 10.147 -13.928 -5.842 256 H VAL 31 H VAL 31 4.344 -7.951 -4.815 257 HA VAL 31 HA VAL 31 3.961 -6.396 -2.341 258 HB VAL 31 HB VAL 31 2.681 -5.711 -5.025 259 HG11 VAL 31 HG11 VAL 31 2.332 -4.490 -2.254 260 HG12 VAL 31 HG12 VAL 31 1.648 -3.837 -3.761 261 HG13 VAL 31 HG13 VAL 31 1.113 -5.418 -3.159 262 HG21 VAL 31 HG21 VAL 31 3.829 -3.531 -4.744 263 HG22 VAL 31 HG22 VAL 31 4.638 -4.152 -3.286 264 HG23 VAL 31 HG23 VAL 31 4.987 -4.869 -4.877 265 H GLU 32 H GLU 32 1.950 -6.883 -1.338 266 HA GLU 32 HA GLU 32 0.115 -8.721 -2.717 267 HB2 GLU 32 HB2 GLU 32 1.741 -10.203 -1.562 268 HB3 GLU 32 HB3 GLU 32 1.388 -9.374 -0.026 269 HG2 GLU 32 HG2 GLU 32 -0.986 -10.033 -0.208 270 HG3 GLU 32 HG3 GLU 32 -0.661 -10.812 -1.768 271 H VAL 33 H VAL 33 -1.951 -8.016 -2.308 272 HA VAL 33 HA VAL 33 -2.326 -6.431 0.183 273 HB VAL 33 HB VAL 33 -3.738 -4.874 -1.061 274 HG11 VAL 33 HG11 VAL 33 -1.298 -4.427 -0.860 275 HG12 VAL 33 HG12 VAL 33 -1.032 -5.257 -2.411 276 HG13 VAL 33 HG13 VAL 33 -1.983 -3.755 -2.358 277 HG21 VAL 33 HG21 VAL 33 -2.894 -6.464 -3.522 278 HG22 VAL 33 HG22 VAL 33 -4.533 -6.409 -2.829 279 HG23 VAL 33 HG23 VAL 33 -3.815 -4.943 -3.530 280 H SER 34 H SER 34 -4.445 -6.403 1.030 281 HA SER 34 HA SER 34 -6.262 -8.529 0.013 282 HB2 SER 34 HB2 SER 34 -5.025 -9.332 1.997 283 HB3 SER 34 HB3 SER 34 -5.572 -7.910 2.912 284 HG SER 34 HG SER 34 -6.877 -9.809 3.206 285 H LEU 35 H LEU 35 -7.874 -7.353 -0.862 286 HA LEU 35 HA LEU 35 -8.408 -4.662 -0.179 287 HB2 LEU 35 HB2 LEU 35 -10.191 -6.689 -1.578 288 HB3 LEU 35 HB3 LEU 35 -10.325 -4.924 -1.694 289 HG LEU 35 HG LEU 35 -7.887 -6.540 -2.537 290 HD11 LEU 35 HD11 LEU 35 -8.607 -6.126 -4.851 291 HD12 LEU 35 HD12 LEU 35 -9.824 -7.067 -3.961 292 HD13 LEU 35 HD13 LEU 35 -10.087 -5.334 -4.261 293 HD21 LEU 35 HD21 LEU 35 -8.555 -3.705 -3.360 294 HD22 LEU 35 HD22 LEU 35 -7.627 -4.054 -1.872 295 HD23 LEU 35 HD23 LEU 35 -7.013 -4.558 -3.458 296 H GLU 36 H GLU 36 -9.605 -7.668 1.260 297 HA GLU 36 HA GLU 36 -11.899 -6.294 2.480 298 HB2 GLU 36 HB2 GLU 36 -10.691 -9.067 2.847 299 HB3 GLU 36 HB3 GLU 36 -12.126 -8.473 3.712 300 HG2 GLU 36 HG2 GLU 36 -13.237 -8.036 1.527 301 HG3 GLU 36 HG3 GLU 36 -11.839 -8.754 0.697 302 H LYS 37 H LYS 37 -8.670 -7.520 3.442 303 HA LYS 37 HA LYS 37 -9.095 -6.748 6.219 304 HB2 LYS 37 HB2 LYS 37 -6.619 -7.717 4.738 305 HB3 LYS 37 HB3 LYS 37 -6.794 -7.592 6.504 306 HG2 LYS 37 HG2 LYS 37 -8.641 -9.210 6.470 307 HG3 LYS 37 HG3 LYS 37 -8.580 -9.280 4.696 308 HD2 LYS 37 HD2 LYS 37 -6.262 -10.160 4.814 309 HD3 LYS 37 HD3 LYS 37 -6.363 -10.153 6.591 310 HE2 LYS 37 HE2 LYS 37 -8.262 -11.703 6.518 311 HE3 LYS 37 HE3 LYS 37 -8.281 -11.641 4.746 312 HZ1 LYS 37 HZ1 LYS 37 -7.179 -13.587 5.557 313 HZ2 LYS 37 HZ2 LYS 37 -6.118 -12.631 4.736 314 HZ3 LYS 37 HZ3 LYS 37 -6.077 -12.678 6.385 315 H GLY 38 H GLY 38 -8.180 -5.111 3.359 316 HA2 GLY 38 HA2 GLY 38 -7.434 -2.978 3.008 317 HA3 GLY 38 HA3 GLY 38 -7.712 -2.656 4.731 318 H GLU 39 H GLU 39 -5.600 -5.335 3.869 319 HA GLU 39 HA GLU 39 -3.327 -3.782 4.988 320 HB2 GLU 39 HB2 GLU 39 -3.752 -6.762 4.525 321 HB3 GLU 39 HB3 GLU 39 -2.292 -6.031 5.229 322 HG2 GLU 39 HG2 GLU 39 -3.655 -5.059 7.052 323 HG3 GLU 39 HG3 GLU 39 -5.108 -5.808 6.364 324 H ALA 40 H ALA 40 -1.244 -3.925 4.026 325 HA ALA 40 HA ALA 40 -1.050 -4.853 1.233 326 HB1 ALA 40 HB1 ALA 40 -1.204 -2.016 2.127 327 HB2 ALA 40 HB2 ALA 40 0.156 -2.407 1.023 328 HB3 ALA 40 HB3 ALA 40 -1.529 -2.722 0.546 329 H LEU 41 H LEU 41 0.601 -6.210 1.500 330 HA LEU 41 HA LEU 41 2.906 -5.432 3.215 331 HB2 LEU 41 HB2 LEU 41 2.141 -8.066 1.868 332 HB3 LEU 41 HB3 LEU 41 3.593 -7.794 2.831 333 HG LEU 41 HG LEU 41 2.091 -8.907 4.251 334 HD11 LEU 41 HD11 LEU 41 3.243 -6.951 5.274 335 HD12 LEU 41 HD12 LEU 41 1.811 -5.950 4.923 336 HD13 LEU 41 HD13 LEU 41 1.686 -7.323 6.047 337 HD21 LEU 41 HD21 LEU 41 -0.208 -8.262 4.655 338 HD22 LEU 41 HD22 LEU 41 -0.054 -6.853 3.589 339 HD23 LEU 41 HD23 LEU 41 0.039 -8.500 2.912 340 H VAL 42 H VAL 42 5.030 -5.426 2.329 341 HA VAL 42 HA VAL 42 5.230 -5.841 -0.589 342 HB VAL 42 HB VAL 42 6.598 -3.841 -0.854 343 HG11 VAL 42 HG11 VAL 42 4.843 -2.254 -0.915 344 HG12 VAL 42 HG12 VAL 42 4.056 -3.824 -1.098 345 HG13 VAL 42 HG13 VAL 42 4.001 -3.000 0.477 346 HG21 VAL 42 HG21 VAL 42 5.854 -3.203 2.032 347 HG22 VAL 42 HG22 VAL 42 7.467 -3.682 1.458 348 HG23 VAL 42 HG23 VAL 42 6.756 -2.147 0.918 349 H GLU 43 H GLU 43 7.501 -6.185 -1.267 350 HA GLU 43 HA GLU 43 9.338 -6.793 0.965 351 HB2 GLU 43 HB2 GLU 43 8.153 -8.894 0.360 352 HB3 GLU 43 HB3 GLU 43 8.765 -8.739 -1.303 353 HG2 GLU 43 HG2 GLU 43 11.076 -8.833 -0.488 354 HG3 GLU 43 HG3 GLU 43 10.513 -8.828 1.195 355 H GLY 44 H GLY 44 10.673 -5.103 0.514 356 HA2 GLY 44 HA2 GLY 44 12.319 -5.273 -1.855 357 HA3 GLY 44 HA3 GLY 44 11.218 -3.879 -1.883 358 H THR 45 H THR 45 13.597 -2.968 -1.921 359 HA THR 45 HA THR 45 14.587 -2.614 0.857 360 HB THR 45 HB THR 45 16.656 -1.828 -0.297 361 HG1 THR 45 HG1 THR 45 16.744 -2.190 -2.552 362 HG21 THR 45 HG21 THR 45 15.630 -4.548 -1.216 363 HG22 THR 45 HG22 THR 45 17.333 -4.043 -1.140 364 HG23 THR 45 HG23 THR 45 16.385 -4.199 0.357 365 H ALA 46 H ALA 46 12.188 -1.216 -0.362 366 HA ALA 46 HA ALA 46 13.066 1.493 -0.868 367 HB1 ALA 46 HB1 ALA 46 10.272 0.704 -0.032 368 HB2 ALA 46 HB2 ALA 46 10.793 1.978 -1.136 369 HB3 ALA 46 HB3 ALA 46 10.905 0.281 -1.657 370 H ASP 47 H ASP 47 12.067 3.336 0.537 371 HA ASP 47 HA ASP 47 12.791 2.767 3.340 372 HB2 ASP 47 HB2 ASP 47 12.170 5.342 1.842 373 HB3 ASP 47 HB3 ASP 47 12.612 5.259 3.556 374 HA PRO 48 HA PRO 48 8.759 2.567 4.997 375 HB2 PRO 48 HB2 PRO 48 9.660 4.756 6.872 376 HB3 PRO 48 HB3 PRO 48 8.827 3.216 7.269 377 HG2 PRO 48 HG2 PRO 48 11.493 3.440 7.656 378 HG3 PRO 48 HG3 PRO 48 10.827 1.960 6.882 379 HD2 PRO 48 HD2 PRO 48 12.137 4.341 5.557 380 HD3 PRO 48 HD3 PRO 48 12.352 2.594 5.221 381 H LYS 49 H LYS 49 9.931 6.007 4.910 382 HA LYS 49 HA LYS 49 7.266 7.065 4.686 383 HB2 LYS 49 HB2 LYS 49 9.998 8.256 4.055 384 HB3 LYS 49 HB3 LYS 49 8.474 9.166 4.058 385 HG2 LYS 49 HG2 LYS 49 8.116 8.528 6.439 386 HG3 LYS 49 HG3 LYS 49 9.704 7.720 6.440 387 HD2 LYS 49 HD2 LYS 49 10.808 9.845 5.875 388 HD3 LYS 49 HD3 LYS 49 9.230 10.656 5.761 389 HE2 LYS 49 HE2 LYS 49 8.800 10.151 8.147 390 HE3 LYS 49 HE3 LYS 49 10.392 9.371 8.265 391 HZ1 LYS 49 HZ1 LYS 49 9.917 12.189 7.575 392 HZ2 LYS 49 HZ2 LYS 49 10.430 11.630 9.038 393 HZ3 LYS 49 HZ3 LYS 49 11.391 11.465 7.708 394 H ALA 50 H ALA 50 9.712 5.987 2.317 395 HA ALA 50 HA ALA 50 8.562 7.315 0.082 396 HB1 ALA 50 HB1 ALA 50 10.831 6.338 0.093 397 HB2 ALA 50 HB2 ALA 50 10.131 4.706 0.220 398 HB3 ALA 50 HB3 ALA 50 9.857 5.681 -1.242 399 H LEU 51 H LEU 51 7.830 4.235 1.718 400 HA LEU 51 HA LEU 51 6.149 3.262 -0.392 401 HB2 LEU 51 HB2 LEU 51 7.349 1.994 1.556 402 HB3 LEU 51 HB3 LEU 51 5.926 2.456 2.514 403 HG LEU 51 HG LEU 51 4.536 1.476 0.553 404 HD11 LEU 51 HD11 LEU 51 5.724 -0.238 -0.791 405 HD12 LEU 51 HD12 LEU 51 6.444 1.363 -1.062 406 HD13 LEU 51 HD13 LEU 51 7.256 0.195 0.000 407 HD21 LEU 51 HD21 LEU 51 4.896 0.408 2.801 408 HD22 LEU 51 HD22 LEU 51 4.668 -0.765 1.478 409 HD23 LEU 51 HD23 LEU 51 6.295 -0.445 2.121 410 H VAL 52 H VAL 52 5.444 4.700 2.849 411 HA VAL 52 HA VAL 52 2.616 4.666 2.474 412 HB VAL 52 HB VAL 52 4.346 6.350 4.335 413 HG11 VAL 52 HG11 VAL 52 1.892 5.654 5.540 414 HG12 VAL 52 HG12 VAL 52 2.360 7.271 4.940 415 HG13 VAL 52 HG13 VAL 52 1.455 6.144 3.902 416 HG21 VAL 52 HG21 VAL 52 3.883 4.538 5.958 417 HG22 VAL 52 HG22 VAL 52 3.018 3.630 4.697 418 HG23 VAL 52 HG23 VAL 52 4.767 3.920 4.546 419 H GLN 53 H GLN 53 5.133 6.974 1.495 420 HA GLN 53 HA GLN 53 3.345 9.205 1.214 421 HB2 GLN 53 HB2 GLN 53 5.782 9.439 1.427 422 HB3 GLN 53 HB3 GLN 53 6.018 8.576 -0.109 423 HG2 GLN 53 HG2 GLN 53 4.830 10.352 -1.316 424 HG3 GLN 53 HG3 GLN 53 4.480 11.182 0.213 425 HE21 GLN 53 HE21 GLN 53 7.806 12.163 -1.717 426 HE22 GLN 53 HE22 GLN 53 6.370 11.461 -2.422 427 H ALA 54 H ALA 54 4.305 6.486 -0.865 428 HA ALA 54 HA ALA 54 3.373 7.545 -3.320 429 HB1 ALA 54 HB1 ALA 54 3.354 5.158 -4.025 430 HB2 ALA 54 HB2 ALA 54 4.853 5.626 -3.189 431 HB3 ALA 54 HB3 ALA 54 3.617 4.690 -2.323 432 H VAL 55 H VAL 55 1.685 5.449 -0.880 433 HA VAL 55 HA VAL 55 -0.759 5.444 -2.429 434 HB VAL 55 HB VAL 55 -1.732 4.559 -0.284 435 HG11 VAL 55 HG11 VAL 55 0.667 2.873 -0.728 436 HG12 VAL 55 HG12 VAL 55 -1.044 2.466 -0.774 437 HG13 VAL 55 HG13 VAL 55 -0.319 3.271 -2.180 438 HG21 VAL 55 HG21 VAL 55 -0.178 3.896 1.513 439 HG22 VAL 55 HG22 VAL 55 1.156 4.717 0.676 440 HG23 VAL 55 HG23 VAL 55 -0.211 5.662 1.316 441 H GLU 56 H GLU 56 0.685 7.625 -0.047 442 HA GLU 56 HA GLU 56 -1.758 8.802 0.837 443 HB2 GLU 56 HB2 GLU 56 0.356 9.030 2.049 444 HB3 GLU 56 HB3 GLU 56 1.085 9.885 0.674 445 HG2 GLU 56 HG2 GLU 56 -0.553 11.714 0.922 446 HG3 GLU 56 HG3 GLU 56 -1.315 10.855 2.276 447 H GLU 57 H GLU 57 0.391 9.402 -1.955 448 HA GLU 57 HA GLU 57 -0.912 11.853 -2.738 449 HB2 GLU 57 HB2 GLU 57 1.193 10.047 -3.731 450 HB3 GLU 57 HB3 GLU 57 0.200 10.747 -5.032 451 HG2 GLU 57 HG2 GLU 57 0.565 13.002 -4.176 452 HG3 GLU 57 HG3 GLU 57 1.452 12.360 -2.780 453 H GLU 58 H GLU 58 -1.657 8.451 -3.048 454 HA GLU 58 HA GLU 58 -3.529 8.829 -5.264 455 HB2 GLU 58 HB2 GLU 58 -2.955 6.526 -3.360 456 HB3 GLU 58 HB3 GLU 58 -4.128 6.438 -4.696 457 HG2 GLU 58 HG2 GLU 58 -1.194 7.136 -5.076 458 HG3 GLU 58 HG3 GLU 58 -1.871 5.500 -5.246 459 H GLY 59 H GLY 59 -3.530 9.550 -1.937 460 HA2 GLY 59 HA2 GLY 59 -5.343 10.679 -0.923 461 HA3 GLY 59 HA3 GLY 59 -6.467 9.878 -2.032 462 H TYR 60 H TYR 60 -4.104 7.716 -0.703 463 HA TYR 60 HA TYR 60 -6.125 6.806 1.291 464 HB2 TYR 60 HB2 TYR 60 -4.335 5.086 -0.450 465 HB3 TYR 60 HB3 TYR 60 -5.565 4.523 0.687 466 HD1 TYR 60 HD1 TYR 60 -4.865 5.413 -2.689 467 HD2 TYR 60 HD2 TYR 60 -8.018 5.286 0.226 468 HE1 TYR 60 HE1 TYR 60 -6.545 5.462 -4.516 469 HE2 TYR 60 HE2 TYR 60 -9.706 5.325 -1.588 470 HH TYR 60 HH TYR 60 -10.068 5.445 -3.853 471 H LYS 61 H LYS 61 -5.306 7.151 3.281 472 HA LYS 61 HA LYS 61 -2.507 7.321 3.874 473 HB2 LYS 61 HB2 LYS 61 -4.883 6.646 5.664 474 HB3 LYS 61 HB3 LYS 61 -3.281 7.156 6.229 475 HG2 LYS 61 HG2 LYS 61 -3.554 9.343 5.172 476 HG3 LYS 61 HG3 LYS 61 -5.094 8.830 4.440 477 HD2 LYS 61 HD2 LYS 61 -6.045 8.460 6.696 478 HD3 LYS 61 HD3 LYS 61 -4.522 9.018 7.429 479 HE2 LYS 61 HE2 LYS 61 -4.809 11.229 6.351 480 HE3 LYS 61 HE3 LYS 61 -6.285 10.643 5.560 481 HZ1 LYS 61 HZ1 LYS 61 -5.854 11.162 8.399 482 HZ2 LYS 61 HZ2 LYS 61 -6.988 11.787 7.400 483 HZ3 LYS 61 HZ3 LYS 61 -7.107 10.210 7.866 484 H ALA 62 H ALA 62 -1.369 5.717 5.386 485 HA ALA 62 HA ALA 62 -2.422 3.010 5.438 486 HB1 ALA 62 HB1 ALA 62 -1.591 3.151 3.110 487 HB2 ALA 62 HB2 ALA 62 0.012 3.632 3.718 488 HB3 ALA 62 HB3 ALA 62 -0.637 2.015 4.085 489 H GLU 63 H GLU 63 -2.080 3.617 7.737 490 HA GLU 63 HA GLU 63 0.594 4.123 8.705 491 HB2 GLU 63 HB2 GLU 63 -1.940 3.125 10.072 492 HB3 GLU 63 HB3 GLU 63 -0.454 3.612 10.917 493 HG2 GLU 63 HG2 GLU 63 -0.626 5.872 9.953 494 HG3 GLU 63 HG3 GLU 63 -2.116 5.405 9.103 495 H VAL 64 H VAL 64 2.214 2.689 9.092 496 HA VAL 64 HA VAL 64 1.990 -0.081 8.486 497 HB VAL 64 HB VAL 64 4.213 -0.216 9.602 498 HG11 VAL 64 HG11 VAL 64 4.036 0.492 7.254 499 HG12 VAL 64 HG12 VAL 64 3.831 2.184 7.765 500 HG13 VAL 64 HG13 VAL 64 5.367 1.342 8.070 501 HG21 VAL 64 HG21 VAL 64 3.719 2.727 10.233 502 HG22 VAL 64 HG22 VAL 64 3.848 1.411 11.424 503 HG23 VAL 64 HG23 VAL 64 5.258 1.864 10.445 504 H LEU 65 H LEU 65 1.454 -1.827 9.732 505 HA LEU 65 HA LEU 65 0.733 -1.273 12.570 506 HB2 LEU 65 HB2 LEU 65 -0.277 -3.422 10.672 507 HB3 LEU 65 HB3 LEU 65 -0.707 -3.285 12.388 508 HG LEU 65 HG LEU 65 -1.275 -1.199 10.240 509 HD11 LEU 65 HD11 LEU 65 -3.083 -3.085 11.810 510 HD12 LEU 65 HD12 LEU 65 -3.633 -1.836 10.671 511 HD13 LEU 65 HD13 LEU 65 -2.684 -3.222 10.082 512 HD21 LEU 65 HD21 LEU 65 -0.881 -0.135 12.426 513 HD22 LEU 65 HD22 LEU 65 -2.613 -0.110 12.041 514 HD23 LEU 65 HD23 LEU 65 -1.981 -1.298 13.206 515 H ALA 66 H ALA 66 3.297 -1.444 12.523 516 HA ALA 66 HA ALA 66 3.919 -4.260 13.268 517 HB1 ALA 66 HB1 ALA 66 5.393 -2.410 11.378 518 HB2 ALA 66 HB2 ALA 66 6.261 -3.688 12.289 519 HB3 ALA 66 HB3 ALA 66 4.952 -4.105 11.158 Start of MODEL 20 1 H1 MET 1 H MET 1 9.297 -3.543 10.851 2 HA MET 1 HA MET 1 9.757 -4.106 7.982 3 HB2 MET 1 HB2 MET 1 9.496 -6.098 9.525 4 HB3 MET 1 HB3 MET 1 7.827 -5.561 9.818 5 HG2 MET 1 HG2 MET 1 7.346 -5.753 7.410 6 HG3 MET 1 HG3 MET 1 9.039 -6.159 7.092 7 HE1 MET 1 HE1 MET 1 6.855 -7.842 5.857 8 HE2 MET 1 HE2 MET 1 8.570 -8.302 5.759 9 HE3 MET 1 HE3 MET 1 7.351 -9.511 6.228 10 H LEU 2 H LEU 2 7.655 -4.000 6.663 11 HA LEU 2 HA LEU 2 6.088 -1.685 7.684 12 HB2 LEU 2 HB2 LEU 2 6.531 -2.606 4.821 13 HB3 LEU 2 HB3 LEU 2 5.727 -1.113 5.347 14 HG LEU 2 HG LEU 2 8.654 -1.853 5.800 15 HD11 LEU 2 HD11 LEU 2 7.350 0.294 4.079 16 HD12 LEU 2 HD12 LEU 2 9.098 0.025 4.274 17 HD13 LEU 2 HD13 LEU 2 8.094 -1.208 3.477 18 HD21 LEU 2 HD21 LEU 2 7.799 -0.526 7.687 19 HD22 LEU 2 HD22 LEU 2 8.860 0.468 6.669 20 HD23 LEU 2 HD23 LEU 2 7.095 0.654 6.558 21 H LYS 3 H LYS 3 3.766 -1.652 7.251 22 HA LYS 3 HA LYS 3 2.487 -4.116 6.396 23 HB2 LYS 3 HB2 LYS 3 3.424 -4.250 8.903 24 HB3 LYS 3 HB3 LYS 3 1.918 -3.390 9.267 25 HG2 LYS 3 HG2 LYS 3 0.631 -5.197 8.168 26 HG3 LYS 3 HG3 LYS 3 2.155 -5.981 7.683 27 HD2 LYS 3 HD2 LYS 3 2.790 -6.128 10.109 28 HD3 LYS 3 HD3 LYS 3 1.154 -5.567 10.524 29 HE2 LYS 3 HE2 LYS 3 0.182 -7.496 9.339 30 HE3 LYS 3 HE3 LYS 3 1.800 -8.008 8.816 31 HZ1 LYS 3 HZ1 LYS 3 2.375 -8.279 11.132 32 HZ2 LYS 3 HZ2 LYS 3 0.839 -7.879 11.585 33 HZ3 LYS 3 HZ3 LYS 3 1.110 -9.245 10.702 34 H LEU 4 H LEU 4 1.548 -2.428 4.932 35 HA LEU 4 HA LEU 4 0.507 -0.015 6.194 36 HB2 LEU 4 HB2 LEU 4 0.931 -1.070 3.421 37 HB3 LEU 4 HB3 LEU 4 -0.333 0.151 3.645 38 HG LEU 4 HG LEU 4 1.274 1.643 4.791 39 HD11 LEU 4 HD11 LEU 4 3.688 1.111 4.696 40 HD12 LEU 4 HD12 LEU 4 2.806 -0.081 5.674 41 HD13 LEU 4 HD13 LEU 4 3.308 -0.491 4.018 42 HD21 LEU 4 HD21 LEU 4 0.921 1.824 2.348 43 HD22 LEU 4 HD22 LEU 4 2.595 2.228 2.788 44 HD23 LEU 4 HD23 LEU 4 2.222 0.642 2.073 45 H LYS 5 H LYS 5 -1.437 0.265 7.014 46 HA LYS 5 HA LYS 5 -3.641 -1.539 6.182 47 HB2 LYS 5 HB2 LYS 5 -3.067 -1.360 8.592 48 HB3 LYS 5 HB3 LYS 5 -3.464 0.367 8.560 49 HG2 LYS 5 HG2 LYS 5 -5.543 -1.477 7.448 50 HG3 LYS 5 HG3 LYS 5 -5.223 -1.636 9.185 51 HD2 LYS 5 HD2 LYS 5 -5.564 0.804 9.481 52 HD3 LYS 5 HD3 LYS 5 -5.989 0.937 7.756 53 HE2 LYS 5 HE2 LYS 5 -7.841 -0.620 8.061 54 HE3 LYS 5 HE3 LYS 5 -7.422 -0.861 9.768 55 HZ1 LYS 5 HZ1 LYS 5 -9.208 0.847 9.029 56 HZ2 LYS 5 HZ2 LYS 5 -8.193 1.197 10.295 57 HZ3 LYS 5 HZ3 LYS 5 -7.925 1.829 8.798 58 H VAL 6 H VAL 6 -4.273 -0.619 4.235 59 HA VAL 6 HA VAL 6 -4.219 2.179 3.722 60 HB VAL 6 HB VAL 6 -5.768 -0.031 2.312 61 HG11 VAL 6 HG11 VAL 6 -4.716 2.679 1.384 62 HG12 VAL 6 HG12 VAL 6 -5.510 1.469 0.347 63 HG13 VAL 6 HG13 VAL 6 -6.427 2.264 1.645 64 HG21 VAL 6 HG21 VAL 6 -3.368 -0.583 2.533 65 HG22 VAL 6 HG22 VAL 6 -3.755 -0.141 0.855 66 HG23 VAL 6 HG23 VAL 6 -2.937 1.031 1.917 67 H GLU 7 H GLU 7 -5.650 3.755 4.024 68 HA GLU 7 HA GLU 7 -8.129 3.266 5.478 69 HB2 GLU 7 HB2 GLU 7 -6.641 5.231 5.893 70 HB3 GLU 7 HB3 GLU 7 -6.953 5.792 4.238 71 HG2 GLU 7 HG2 GLU 7 -8.400 6.989 5.794 72 HG3 GLU 7 HG3 GLU 7 -9.387 5.933 4.772 73 H GLY 8 H GLY 8 -10.226 3.517 4.676 74 HA2 GLY 8 HA2 GLY 8 -10.506 3.432 1.730 75 HA3 GLY 8 HA3 GLY 8 -11.719 2.950 2.934 76 H MET 9 H MET 9 -9.822 5.905 2.025 77 HA MET 9 HA MET 9 -11.727 7.697 3.172 78 HB2 MET 9 HB2 MET 9 -9.589 8.124 1.047 79 HB3 MET 9 HB3 MET 9 -10.450 9.416 1.910 80 HG2 MET 9 HG2 MET 9 -9.592 8.545 4.062 81 HG3 MET 9 HG3 MET 9 -8.735 7.263 3.194 82 HE1 MET 9 HE1 MET 9 -7.712 11.773 3.009 83 HE2 MET 9 HE2 MET 9 -9.188 11.099 2.284 84 HE3 MET 9 HE3 MET 9 -8.962 11.050 4.049 85 H THR 10 H THR 10 -11.339 6.370 -0.145 86 HA THR 10 HA THR 10 -13.929 7.652 -0.836 87 HB THR 10 HB THR 10 -12.970 8.217 -3.063 88 HG1 THR 10 HG1 THR 10 -10.653 8.158 -3.176 89 HG21 THR 10 HG21 THR 10 -13.020 9.922 -1.255 90 HG22 THR 10 HG22 THR 10 -11.404 9.394 -0.726 91 HG23 THR 10 HG23 THR 10 -11.617 10.134 -2.327 92 H CYS 11 H CYS 11 -14.816 6.724 -2.909 93 HA CYS 11 HA CYS 11 -15.713 4.888 -3.909 94 HB2 CYS 11 HB2 CYS 11 -12.767 4.189 -4.163 95 HB3 CYS 11 HB3 CYS 11 -14.087 3.610 -5.207 96 HG CYS 11 HG CYS 11 -14.893 5.987 -5.945 97 H ASN 12 H ASN 12 -16.044 4.520 -1.235 98 HA ASN 12 HA ASN 12 -14.745 2.195 -0.214 99 HB2 ASN 12 HB2 ASN 12 -16.410 2.317 1.557 100 HB3 ASN 12 HB3 ASN 12 -15.819 3.943 1.174 101 HD21 ASN 12 HD21 ASN 12 -19.761 3.143 1.022 102 HD22 ASN 12 HD22 ASN 12 -18.562 2.122 1.783 103 H HIS 13 H HIS 13 -17.241 2.492 -2.617 104 HA HIS 13 HA HIS 13 -18.205 -0.251 -2.019 105 HB2 HIS 13 HB2 HIS 13 -19.125 1.827 -4.031 106 HB3 HIS 13 HB3 HIS 13 -19.796 0.198 -3.886 107 HD1 HIS 13 HD1 HIS 13 -21.558 -0.188 -1.962 108 HD2 HIS 13 HD2 HIS 13 -19.565 3.518 -1.888 109 HE1 HIS 13 HE1 HIS 13 -22.743 1.248 -0.209 110 H CYS 14 H CYS 14 -16.756 1.671 -4.708 111 HA CYS 14 HA CYS 14 -16.097 -0.855 -6.105 112 HB2 CYS 14 HB2 CYS 14 -15.828 2.066 -6.932 113 HB3 CYS 14 HB3 CYS 14 -15.520 0.653 -7.972 114 HG CYS 14 HG CYS 14 -17.801 1.738 -8.583 115 H VAL 15 H VAL 15 -14.062 -1.699 -6.040 116 HA VAL 15 HA VAL 15 -12.003 -0.015 -4.735 117 HB VAL 15 HB VAL 15 -12.691 -2.111 -3.619 118 HG11 VAL 15 HG11 VAL 15 -11.505 -3.459 -6.081 119 HG12 VAL 15 HG12 VAL 15 -12.050 -4.280 -4.600 120 HG13 VAL 15 HG13 VAL 15 -13.227 -3.438 -5.631 121 HG21 VAL 15 HG21 VAL 15 -10.454 -2.952 -3.182 122 HG22 VAL 15 HG22 VAL 15 -9.842 -2.223 -4.684 123 HG23 VAL 15 HG23 VAL 15 -10.397 -1.187 -3.346 124 H MET 16 H MET 16 -9.790 -0.139 -5.480 125 HA MET 16 HA MET 16 -9.524 -0.850 -8.357 126 HB2 MET 16 HB2 MET 16 -8.457 1.648 -6.960 127 HB3 MET 16 HB3 MET 16 -8.159 1.168 -8.643 128 HG2 MET 16 HG2 MET 16 -9.907 2.632 -8.924 129 HG3 MET 16 HG3 MET 16 -10.775 1.097 -8.820 130 HE1 MET 16 HE1 MET 16 -13.386 2.507 -7.747 131 HE2 MET 16 HE2 MET 16 -12.786 4.145 -7.445 132 HE3 MET 16 HE3 MET 16 -12.238 3.266 -8.890 133 H ALA 17 H ALA 17 -7.215 -1.159 -8.992 134 HA ALA 17 HA ALA 17 -5.887 -2.863 -7.102 135 HB1 ALA 17 HB1 ALA 17 -5.783 -3.199 -9.543 136 HB2 ALA 17 HB2 ALA 17 -4.940 -1.642 -9.728 137 HB3 ALA 17 HB3 ALA 17 -4.152 -2.982 -8.863 138 H VAL 18 H VAL 18 -5.441 -1.608 -5.222 139 HA VAL 18 HA VAL 18 -3.992 0.864 -5.349 140 HB VAL 18 HB VAL 18 -4.191 -1.162 -3.078 141 HG11 VAL 18 HG11 VAL 18 -3.906 0.936 -1.686 142 HG12 VAL 18 HG12 VAL 18 -2.461 0.490 -2.627 143 HG13 VAL 18 HG13 VAL 18 -3.520 1.810 -3.180 144 HG21 VAL 18 HG21 VAL 18 -5.951 1.220 -3.803 145 HG22 VAL 18 HG22 VAL 18 -6.420 -0.496 -3.878 146 HG23 VAL 18 HG23 VAL 18 -6.077 0.262 -2.310 147 H THR 19 H THR 19 -3.110 -2.427 -5.836 148 HA THR 19 HA THR 19 -0.521 -2.598 -4.867 149 HB THR 19 HB THR 19 -1.614 -3.664 -7.499 150 HG1 THR 19 HG1 THR 19 -2.094 -5.478 -6.129 151 HG21 THR 19 HG21 THR 19 0.017 -5.487 -7.128 152 HG22 THR 19 HG22 THR 19 0.838 -3.915 -7.257 153 HG23 THR 19 HG23 THR 19 0.602 -4.669 -5.662 154 H LYS 20 H LYS 20 -1.712 -0.945 -7.817 155 HA LYS 20 HA LYS 20 0.790 -0.543 -9.062 156 HB2 LYS 20 HB2 LYS 20 -1.719 1.182 -9.013 157 HB3 LYS 20 HB3 LYS 20 -0.355 1.416 -10.124 158 HG2 LYS 20 HG2 LYS 20 -0.688 -0.855 -11.034 159 HG3 LYS 20 HG3 LYS 20 -2.074 -1.095 -9.938 160 HD2 LYS 20 HD2 LYS 20 -3.245 0.803 -10.960 161 HD3 LYS 20 HD3 LYS 20 -1.836 1.152 -11.987 162 HE2 LYS 20 HE2 LYS 20 -2.067 -1.048 -13.074 163 HE3 LYS 20 HE3 LYS 20 -3.469 -1.417 -12.048 164 HZ1 LYS 20 HZ1 LYS 20 -4.101 -0.596 -14.208 165 HZ2 LYS 20 HZ2 LYS 20 -4.608 0.420 -13.018 166 HZ3 LYS 20 HZ3 LYS 20 -3.302 0.826 -13.941 167 H ALA 21 H ALA 21 -0.723 1.126 -6.297 168 HA ALA 21 HA ALA 21 1.034 3.416 -6.484 169 HB1 ALA 21 HB1 ALA 21 -0.666 2.395 -4.172 170 HB2 ALA 21 HB2 ALA 21 0.028 4.027 -4.339 171 HB3 ALA 21 HB3 ALA 21 -1.233 3.476 -5.466 172 H LEU 22 H LEU 22 1.233 0.205 -5.036 173 HA LEU 22 HA LEU 22 3.386 0.966 -3.193 174 HB2 LEU 22 HB2 LEU 22 2.131 -1.663 -4.095 175 HB3 LEU 22 HB3 LEU 22 3.548 -1.594 -3.044 176 HG LEU 22 HG LEU 22 1.624 -1.917 -1.675 177 HD11 LEU 22 HD11 LEU 22 3.436 -0.325 -0.903 178 HD12 LEU 22 HD12 LEU 22 2.375 1.010 -1.402 179 HD13 LEU 22 HD13 LEU 22 1.849 -0.100 -0.121 180 HD21 LEU 22 HD21 LEU 22 0.470 0.641 -2.848 181 HD22 LEU 22 HD22 LEU 22 -0.075 -1.011 -3.231 182 HD23 LEU 22 HD23 LEU 22 -0.257 -0.372 -1.584 183 H LYS 23 H LYS 23 2.945 -0.627 -6.343 184 HA LYS 23 HA LYS 23 5.569 -1.626 -6.558 185 HB2 LYS 23 HB2 LYS 23 3.404 -2.297 -7.734 186 HB3 LYS 23 HB3 LYS 23 3.746 -0.993 -8.893 187 HG2 LYS 23 HG2 LYS 23 5.870 -2.046 -9.496 188 HG3 LYS 23 HG3 LYS 23 5.708 -3.208 -8.155 189 HD2 LYS 23 HD2 LYS 23 3.601 -4.062 -9.200 190 HD3 LYS 23 HD3 LYS 23 3.911 -3.019 -10.607 191 HE2 LYS 23 HE2 LYS 23 6.018 -4.157 -11.032 192 HE3 LYS 23 HE3 LYS 23 5.860 -5.122 -9.551 193 HZ1 LYS 23 HZ1 LYS 23 5.124 -6.024 -11.859 194 HZ2 LYS 23 HZ2 LYS 23 4.263 -6.401 -10.487 195 HZ3 LYS 23 HZ3 LYS 23 3.739 -5.230 -11.522 196 H LYS 24 H LYS 24 4.394 1.644 -7.171 197 HA LYS 24 HA LYS 24 6.425 2.288 -9.126 198 HB2 LYS 24 HB2 LYS 24 4.682 3.984 -7.299 199 HB3 LYS 24 HB3 LYS 24 5.809 4.660 -8.490 200 HG2 LYS 24 HG2 LYS 24 4.633 3.487 -10.310 201 HG3 LYS 24 HG3 LYS 24 3.485 2.806 -9.132 202 HD2 LYS 24 HD2 LYS 24 2.837 5.105 -8.452 203 HD3 LYS 24 HD3 LYS 24 3.970 5.774 -9.648 204 HE2 LYS 24 HE2 LYS 24 2.719 4.636 -11.460 205 HE3 LYS 24 HE3 LYS 24 1.588 3.978 -10.258 206 HZ1 LYS 24 HZ1 LYS 24 1.009 6.233 -9.680 207 HZ2 LYS 24 HZ2 LYS 24 2.029 6.827 -10.830 208 HZ3 LYS 24 HZ3 LYS 24 0.714 5.936 -11.274 209 H VAL 25 H VAL 25 6.493 1.921 -5.647 210 HA VAL 25 HA VAL 25 8.559 3.888 -5.208 211 HB VAL 25 HB VAL 25 7.461 1.572 -3.580 212 HG11 VAL 25 HG11 VAL 25 8.663 2.571 -1.664 213 HG12 VAL 25 HG12 VAL 25 9.794 1.995 -2.910 214 HG13 VAL 25 HG13 VAL 25 9.445 3.734 -2.761 215 HG21 VAL 25 HG21 VAL 25 6.432 3.430 -2.298 216 HG22 VAL 25 HG22 VAL 25 7.166 4.603 -3.414 217 HG23 VAL 25 HG23 VAL 25 5.930 3.465 -4.002 218 HA PRO 26 HA PRO 26 11.955 1.601 -6.891 219 HB2 PRO 26 HB2 PRO 26 13.390 3.197 -4.768 220 HB3 PRO 26 HB3 PRO 26 13.865 2.934 -6.480 221 HG2 PRO 26 HG2 PRO 26 12.713 5.267 -5.756 222 HG3 PRO 26 HG3 PRO 26 12.157 4.430 -7.248 223 HD2 PRO 26 HD2 PRO 26 10.873 4.433 -4.509 224 HD3 PRO 26 HD3 PRO 26 10.105 4.600 -6.121 225 H GLY 27 H GLY 27 13.000 -0.297 -6.367 226 HA2 GLY 27 HA2 GLY 27 14.085 -1.834 -4.986 227 HA3 GLY 27 HA3 GLY 27 13.501 -0.970 -3.551 228 H VAL 28 H VAL 28 10.683 -0.950 -4.880 229 HA VAL 28 HA VAL 28 9.828 -3.445 -3.648 230 HB VAL 28 HB VAL 28 8.370 -1.262 -5.191 231 HG11 VAL 28 HG11 VAL 28 7.183 -3.397 -5.443 232 HG12 VAL 28 HG12 VAL 28 7.260 -3.661 -3.685 233 HG13 VAL 28 HG13 VAL 28 6.299 -2.316 -4.344 234 HG21 VAL 28 HG21 VAL 28 8.493 -1.982 -2.230 235 HG22 VAL 28 HG22 VAL 28 9.260 -0.570 -2.998 236 HG23 VAL 28 HG23 VAL 28 7.488 -0.696 -2.940 237 H GLU 29 H GLU 29 9.994 -5.358 -4.693 238 HA GLU 29 HA GLU 29 9.598 -5.325 -7.645 239 HB2 GLU 29 HB2 GLU 29 11.906 -5.923 -6.918 240 HB3 GLU 29 HB3 GLU 29 11.234 -7.310 -6.031 241 HG2 GLU 29 HG2 GLU 29 10.301 -8.217 -8.114 242 HG3 GLU 29 HG3 GLU 29 10.866 -6.796 -9.013 243 H LYS 30 H LYS 30 8.628 -6.618 -4.530 244 HA LYS 30 HA LYS 30 6.472 -8.112 -5.942 245 HB2 LYS 30 HB2 LYS 30 8.030 -8.928 -3.458 246 HB3 LYS 30 HB3 LYS 30 6.529 -9.702 -4.002 247 HG2 LYS 30 HG2 LYS 30 7.609 -10.258 -6.170 248 HG3 LYS 30 HG3 LYS 30 9.133 -9.553 -5.577 249 HD2 LYS 30 HD2 LYS 30 9.177 -11.164 -3.717 250 HD3 LYS 30 HD3 LYS 30 7.614 -11.834 -4.238 251 HE2 LYS 30 HE2 LYS 30 8.633 -12.497 -6.412 252 HE3 LYS 30 HE3 LYS 30 10.182 -11.826 -5.861 253 HZ1 LYS 30 HZ1 LYS 30 10.536 -13.842 -5.108 254 HZ2 LYS 30 HZ2 LYS 30 9.527 -13.461 -3.878 255 HZ3 LYS 30 HZ3 LYS 30 8.937 -14.297 -5.169 256 H VAL 31 H VAL 31 4.443 -8.050 -4.916 257 HA VAL 31 HA VAL 31 4.138 -6.400 -2.496 258 HB VAL 31 HB VAL 31 2.745 -5.808 -5.147 259 HG11 VAL 31 HG11 VAL 31 2.505 -4.508 -2.401 260 HG12 VAL 31 HG12 VAL 31 1.752 -3.903 -3.894 261 HG13 VAL 31 HG13 VAL 31 1.257 -5.471 -3.226 262 HG21 VAL 31 HG21 VAL 31 3.884 -3.608 -4.976 263 HG22 VAL 31 HG22 VAL 31 4.767 -4.189 -3.544 264 HG23 VAL 31 HG23 VAL 31 5.043 -4.944 -5.132 265 H GLU 32 H GLU 32 2.193 -6.922 -1.384 266 HA GLU 32 HA GLU 32 0.342 -8.806 -2.682 267 HB2 GLU 32 HB2 GLU 32 2.115 -10.199 -1.575 268 HB3 GLU 32 HB3 GLU 32 1.707 -9.421 -0.027 269 HG2 GLU 32 HG2 GLU 32 -0.651 -10.197 -0.304 270 HG3 GLU 32 HG3 GLU 32 -0.183 -11.039 -1.792 271 H VAL 33 H VAL 33 -1.673 -7.995 -2.284 272 HA VAL 33 HA VAL 33 -2.066 -6.610 0.319 273 HB VAL 33 HB VAL 33 -3.324 -4.864 -0.791 274 HG11 VAL 33 HG11 VAL 33 -0.846 -4.596 -0.621 275 HG12 VAL 33 HG12 VAL 33 -0.678 -5.302 -2.242 276 HG13 VAL 33 HG13 VAL 33 -1.527 -3.755 -2.032 277 HG21 VAL 33 HG21 VAL 33 -2.639 -6.312 -3.386 278 HG22 VAL 33 HG22 VAL 33 -4.255 -6.189 -2.653 279 HG23 VAL 33 HG23 VAL 33 -3.439 -4.729 -3.254 280 H SER 34 H SER 34 -4.280 -6.531 1.065 281 HA SER 34 HA SER 34 -6.068 -8.495 -0.260 282 HB2 SER 34 HB2 SER 34 -5.000 -9.584 1.680 283 HB3 SER 34 HB3 SER 34 -5.567 -8.266 2.733 284 HG SER 34 HG SER 34 -6.968 -10.139 2.657 285 H LEU 35 H LEU 35 -7.581 -7.169 -1.091 286 HA LEU 35 HA LEU 35 -8.209 -4.603 -0.043 287 HB2 LEU 35 HB2 LEU 35 -9.843 -6.417 -1.858 288 HB3 LEU 35 HB3 LEU 35 -10.028 -4.660 -1.698 289 HG LEU 35 HG LEU 35 -7.504 -6.064 -2.659 290 HD11 LEU 35 HD11 LEU 35 -8.128 -5.253 -4.904 291 HD12 LEU 35 HD12 LEU 35 -9.351 -6.369 -4.257 292 HD13 LEU 35 HD13 LEU 35 -9.658 -4.619 -4.253 293 HD21 LEU 35 HD21 LEU 35 -8.218 -3.143 -3.018 294 HD22 LEU 35 HD22 LEU 35 -7.350 -3.722 -1.565 295 HD23 LEU 35 HD23 LEU 35 -6.647 -3.929 -3.184 296 H GLU 36 H GLU 36 -9.243 -7.789 0.914 297 HA GLU 36 HA GLU 36 -11.764 -6.859 2.086 298 HB2 GLU 36 HB2 GLU 36 -10.229 -9.482 2.228 299 HB3 GLU 36 HB3 GLU 36 -11.815 -9.197 2.980 300 HG2 GLU 36 HG2 GLU 36 -12.764 -8.634 0.762 301 HG3 GLU 36 HG3 GLU 36 -11.190 -8.956 0.009 302 H LYS 37 H LYS 37 -8.397 -7.385 3.073 303 HA LYS 37 HA LYS 37 -9.182 -7.103 5.919 304 HB2 LYS 37 HB2 LYS 37 -6.544 -7.905 4.632 305 HB3 LYS 37 HB3 LYS 37 -6.889 -7.881 6.377 306 HG2 LYS 37 HG2 LYS 37 -8.712 -9.523 6.044 307 HG3 LYS 37 HG3 LYS 37 -8.375 -9.550 4.299 308 HD2 LYS 37 HD2 LYS 37 -6.078 -10.363 4.758 309 HD3 LYS 37 HD3 LYS 37 -6.435 -10.359 6.503 310 HE2 LYS 37 HE2 LYS 37 -8.300 -11.951 6.109 311 HE3 LYS 37 HE3 LYS 37 -7.911 -11.972 4.378 312 HZ1 LYS 37 HZ1 LYS 37 -6.954 -13.822 5.537 313 HZ2 LYS 37 HZ2 LYS 37 -5.769 -12.858 4.926 314 HZ3 LYS 37 HZ3 LYS 37 -6.112 -12.818 6.540 315 H GLY 38 H GLY 38 -8.098 -5.220 3.292 316 HA2 GLY 38 HA2 GLY 38 -7.434 -3.033 3.183 317 HA3 GLY 38 HA3 GLY 38 -7.801 -2.886 4.914 318 H GLU 39 H GLU 39 -5.572 -5.428 3.996 319 HA GLU 39 HA GLU 39 -3.343 -3.816 5.146 320 HB2 GLU 39 HB2 GLU 39 -3.676 -6.807 4.666 321 HB3 GLU 39 HB3 GLU 39 -2.239 -6.034 5.369 322 HG2 GLU 39 HG2 GLU 39 -3.663 -5.137 7.216 323 HG3 GLU 39 HG3 GLU 39 -5.052 -6.009 6.537 324 H ALA 40 H ALA 40 -1.306 -3.830 4.118 325 HA ALA 40 HA ALA 40 -1.134 -4.789 1.335 326 HB1 ALA 40 HB1 ALA 40 -1.414 -1.954 2.208 327 HB2 ALA 40 HB2 ALA 40 -0.064 -2.283 1.072 328 HB3 ALA 40 HB3 ALA 40 -1.741 -2.692 0.641 329 H LEU 41 H LEU 41 0.708 -5.859 1.261 330 HA LEU 41 HA LEU 41 2.945 -5.007 3.039 331 HB2 LEU 41 HB2 LEU 41 2.284 -7.768 1.923 332 HB3 LEU 41 HB3 LEU 41 3.656 -7.356 2.950 333 HG LEU 41 HG LEU 41 2.109 -8.388 4.373 334 HD11 LEU 41 HD11 LEU 41 3.051 -6.304 5.316 335 HD12 LEU 41 HD12 LEU 41 1.645 -5.398 4.706 336 HD13 LEU 41 HD13 LEU 41 1.422 -6.648 5.946 337 HD21 LEU 41 HD21 LEU 41 -0.241 -7.883 4.539 338 HD22 LEU 41 HD22 LEU 41 -0.099 -6.555 3.373 339 HD23 LEU 41 HD23 LEU 41 0.153 -8.235 2.842 340 H VAL 42 H VAL 42 5.071 -5.130 2.155 341 HA VAL 42 HA VAL 42 5.248 -5.704 -0.743 342 HB VAL 42 HB VAL 42 6.783 -3.791 -1.027 343 HG11 VAL 42 HG11 VAL 42 5.092 -2.161 -1.314 344 HG12 VAL 42 HG12 VAL 42 4.269 -3.718 -1.465 345 HG13 VAL 42 HG13 VAL 42 4.126 -2.800 0.050 346 HG21 VAL 42 HG21 VAL 42 5.839 -2.965 1.752 347 HG22 VAL 42 HG22 VAL 42 7.481 -3.510 1.332 348 HG23 VAL 42 HG23 VAL 42 6.848 -1.994 0.656 349 H GLU 43 H GLU 43 7.540 -6.211 -1.383 350 HA GLU 43 HA GLU 43 9.241 -6.864 0.944 351 HB2 GLU 43 HB2 GLU 43 7.813 -8.840 0.239 352 HB3 GLU 43 HB3 GLU 43 8.738 -8.869 -1.279 353 HG2 GLU 43 HG2 GLU 43 10.829 -9.141 0.012 354 HG3 GLU 43 HG3 GLU 43 9.927 -8.986 1.532 355 H GLY 44 H GLY 44 10.480 -5.047 0.334 356 HA2 GLY 44 HA2 GLY 44 12.377 -5.577 -1.816 357 HA3 GLY 44 HA3 GLY 44 11.327 -4.166 -2.073 358 H THR 45 H THR 45 13.765 -3.360 -2.000 359 HA THR 45 HA THR 45 14.702 -2.885 0.750 360 HB THR 45 HB THR 45 16.677 -1.940 -0.449 361 HG1 THR 45 HG1 THR 45 16.697 -2.193 -2.717 362 HG21 THR 45 HG21 THR 45 15.781 -4.677 -1.449 363 HG22 THR 45 HG22 THR 45 17.454 -4.076 -1.396 364 HG23 THR 45 HG23 THR 45 16.562 -4.351 0.116 365 H ALA 46 H ALA 46 12.184 -1.601 -0.306 366 HA ALA 46 HA ALA 46 12.848 1.153 -0.835 367 HB1 ALA 46 HB1 ALA 46 10.174 0.185 0.193 368 HB2 ALA 46 HB2 ALA 46 10.533 1.489 -0.940 369 HB3 ALA 46 HB3 ALA 46 10.721 -0.199 -1.472 370 H ASP 47 H ASP 47 11.713 2.909 0.614 371 HA ASP 47 HA ASP 47 12.590 2.389 3.407 372 HB2 ASP 47 HB2 ASP 47 12.257 4.961 1.818 373 HB3 ASP 47 HB3 ASP 47 12.710 4.886 3.531 374 HA PRO 48 HA PRO 48 8.620 2.603 5.094 375 HB2 PRO 48 HB2 PRO 48 9.695 4.751 6.919 376 HB3 PRO 48 HB3 PRO 48 8.768 3.275 7.351 377 HG2 PRO 48 HG2 PRO 48 11.448 3.337 7.702 378 HG3 PRO 48 HG3 PRO 48 10.679 1.887 6.968 379 HD2 PRO 48 HD2 PRO 48 12.117 4.154 5.579 380 HD3 PRO 48 HD3 PRO 48 12.219 2.391 5.275 381 H LYS 49 H LYS 49 9.998 5.977 5.010 382 HA LYS 49 HA LYS 49 7.387 7.163 4.813 383 HB2 LYS 49 HB2 LYS 49 10.168 8.246 4.204 384 HB3 LYS 49 HB3 LYS 49 8.689 9.226 4.275 385 HG2 LYS 49 HG2 LYS 49 8.338 8.555 6.625 386 HG3 LYS 49 HG3 LYS 49 9.820 7.572 6.573 387 HD2 LYS 49 HD2 LYS 49 11.160 9.578 6.089 388 HD3 LYS 49 HD3 LYS 49 9.687 10.575 6.056 389 HE2 LYS 49 HE2 LYS 49 9.238 10.016 8.413 390 HE3 LYS 49 HE3 LYS 49 10.687 8.991 8.458 391 HZ1 LYS 49 HZ1 LYS 49 10.676 11.879 7.918 392 HZ2 LYS 49 HZ2 LYS 49 11.066 11.183 9.360 393 HZ3 LYS 49 HZ3 LYS 49 12.009 10.916 8.033 394 H ALA 50 H ALA 50 9.820 6.099 2.418 395 HA ALA 50 HA ALA 50 8.690 7.490 0.211 396 HB1 ALA 50 HB1 ALA 50 10.951 6.496 0.209 397 HB2 ALA 50 HB2 ALA 50 10.238 4.867 0.300 398 HB3 ALA 50 HB3 ALA 50 9.977 5.873 -1.143 399 H LEU 51 H LEU 51 7.927 4.390 1.780 400 HA LEU 51 HA LEU 51 6.268 3.433 -0.341 401 HB2 LEU 51 HB2 LEU 51 7.418 2.149 1.595 402 HB3 LEU 51 HB3 LEU 51 6.028 2.663 2.575 403 HG LEU 51 HG LEU 51 4.549 1.667 0.719 404 HD11 LEU 51 HD11 LEU 51 5.646 -0.070 -0.684 405 HD12 LEU 51 HD12 LEU 51 6.317 1.536 -1.034 406 HD13 LEU 51 HD13 LEU 51 7.229 0.394 -0.022 407 HD21 LEU 51 HD21 LEU 51 5.061 0.585 2.936 408 HD22 LEU 51 HD22 LEU 51 4.751 -0.582 1.623 409 HD23 LEU 51 HD23 LEU 51 6.415 -0.258 2.158 410 H VAL 52 H VAL 52 5.495 4.960 2.855 411 HA VAL 52 HA VAL 52 2.675 4.924 2.375 412 HB VAL 52 HB VAL 52 4.335 6.666 4.247 413 HG11 VAL 52 HG11 VAL 52 1.815 6.035 5.354 414 HG12 VAL 52 HG12 VAL 52 2.329 7.622 4.709 415 HG13 VAL 52 HG13 VAL 52 1.467 6.459 3.677 416 HG21 VAL 52 HG21 VAL 52 3.811 4.915 5.909 417 HG22 VAL 52 HG22 VAL 52 2.970 3.969 4.657 418 HG23 VAL 52 HG23 VAL 52 4.725 4.241 4.544 419 H GLN 53 H GLN 53 5.264 7.213 1.523 420 HA GLN 53 HA GLN 53 3.571 9.458 1.082 421 HB2 GLN 53 HB2 GLN 53 6.020 9.568 1.347 422 HB3 GLN 53 HB3 GLN 53 6.235 8.688 -0.180 423 HG2 GLN 53 HG2 GLN 53 5.152 10.525 -1.408 424 HG3 GLN 53 HG3 GLN 53 4.840 11.379 0.117 425 HE21 GLN 53 HE21 GLN 53 8.797 11.035 -1.137 426 HE22 GLN 53 HE22 GLN 53 7.658 9.756 -1.493 427 H ALA 54 H ALA 54 4.467 6.650 -0.905 428 HA ALA 54 HA ALA 54 3.551 7.647 -3.403 429 HB1 ALA 54 HB1 ALA 54 3.526 5.286 -4.061 430 HB2 ALA 54 HB2 ALA 54 4.994 5.669 -3.131 431 HB3 ALA 54 HB3 ALA 54 3.647 4.801 -2.354 432 H VAL 55 H VAL 55 1.908 5.484 -1.011 433 HA VAL 55 HA VAL 55 -0.538 5.480 -2.521 434 HB VAL 55 HB VAL 55 -1.421 4.294 -0.555 435 HG11 VAL 55 HG11 VAL 55 1.255 3.041 -0.810 436 HG12 VAL 55 HG12 VAL 55 -0.352 2.378 -1.115 437 HG13 VAL 55 HG13 VAL 55 0.418 3.399 -2.351 438 HG21 VAL 55 HG21 VAL 55 -0.254 5.527 1.238 439 HG22 VAL 55 HG22 VAL 55 0.052 3.781 1.359 440 HG23 VAL 55 HG23 VAL 55 1.303 4.856 0.694 441 H GLU 56 H GLU 56 0.754 7.633 -0.024 442 HA GLU 56 HA GLU 56 -1.816 8.515 0.896 443 HB2 GLU 56 HB2 GLU 56 0.308 8.721 2.167 444 HB3 GLU 56 HB3 GLU 56 0.885 9.921 0.989 445 HG2 GLU 56 HG2 GLU 56 -1.032 11.387 1.556 446 HG3 GLU 56 HG3 GLU 56 -1.641 10.156 2.679 447 H GLU 57 H GLU 57 0.405 9.539 -1.724 448 HA GLU 57 HA GLU 57 -1.087 11.942 -2.306 449 HB2 GLU 57 HB2 GLU 57 1.198 10.436 -3.437 450 HB3 GLU 57 HB3 GLU 57 0.167 11.237 -4.654 451 HG2 GLU 57 HG2 GLU 57 0.303 13.358 -3.393 452 HG3 GLU 57 HG3 GLU 57 1.358 12.578 -2.198 453 H GLU 58 H GLU 58 -1.492 8.533 -3.016 454 HA GLU 58 HA GLU 58 -3.237 8.928 -5.306 455 HB2 GLU 58 HB2 GLU 58 -2.743 6.578 -3.441 456 HB3 GLU 58 HB3 GLU 58 -3.802 6.509 -4.862 457 HG2 GLU 58 HG2 GLU 58 -0.865 7.304 -4.962 458 HG3 GLU 58 HG3 GLU 58 -1.463 5.667 -5.271 459 H GLY 59 H GLY 59 -3.550 9.505 -1.956 460 HA2 GLY 59 HA2 GLY 59 -5.494 10.530 -1.069 461 HA3 GLY 59 HA3 GLY 59 -6.484 9.731 -2.306 462 H TYR 60 H TYR 60 -4.141 7.649 -0.870 463 HA TYR 60 HA TYR 60 -6.209 6.590 0.990 464 HB2 TYR 60 HB2 TYR 60 -4.414 4.976 -0.850 465 HB3 TYR 60 HB3 TYR 60 -5.586 4.331 0.309 466 HD1 TYR 60 HD1 TYR 60 -5.074 5.063 -3.064 467 HD2 TYR 60 HD2 TYR 60 -8.055 5.399 0.014 468 HE1 TYR 60 HE1 TYR 60 -6.842 5.188 -4.800 469 HE2 TYR 60 HE2 TYR 60 -9.831 5.528 -1.710 470 HH TYR 60 HH TYR 60 -10.308 5.556 -3.950 471 H LYS 61 H LYS 61 -5.323 7.281 2.876 472 HA LYS 61 HA LYS 61 -2.545 7.339 3.484 473 HB2 LYS 61 HB2 LYS 61 -4.964 7.044 5.313 474 HB3 LYS 61 HB3 LYS 61 -3.349 7.593 5.815 475 HG2 LYS 61 HG2 LYS 61 -3.535 9.592 4.454 476 HG3 LYS 61 HG3 LYS 61 -5.013 8.985 3.677 477 HD2 LYS 61 HD2 LYS 61 -6.182 9.015 5.858 478 HD3 LYS 61 HD3 LYS 61 -4.731 9.714 6.620 479 HE2 LYS 61 HE2 LYS 61 -4.881 11.686 5.162 480 HE3 LYS 61 HE3 LYS 61 -6.202 10.931 4.254 481 HZ1 LYS 61 HZ1 LYS 61 -6.269 11.963 6.981 482 HZ2 LYS 61 HZ2 LYS 61 -7.205 12.370 5.703 483 HZ3 LYS 61 HZ3 LYS 61 -7.417 10.901 6.418 484 H ALA 62 H ALA 62 -1.423 5.880 5.128 485 HA ALA 62 HA ALA 62 -2.584 3.233 5.504 486 HB1 ALA 62 HB1 ALA 62 -1.818 3.105 3.155 487 HB2 ALA 62 HB2 ALA 62 -0.187 3.603 3.663 488 HB3 ALA 62 HB3 ALA 62 -0.860 2.050 4.215 489 H GLU 63 H GLU 63 -2.169 3.572 7.718 490 HA GLU 63 HA GLU 63 0.522 4.252 8.631 491 HB2 GLU 63 HB2 GLU 63 -1.948 3.221 10.084 492 HB3 GLU 63 HB3 GLU 63 -0.447 3.762 10.870 493 HG2 GLU 63 HG2 GLU 63 -0.707 5.990 9.805 494 HG3 GLU 63 HG3 GLU 63 -2.235 5.455 9.079 495 H VAL 64 H VAL 64 2.180 2.843 9.036 496 HA VAL 64 HA VAL 64 2.005 0.075 8.426 497 HB VAL 64 HB VAL 64 4.232 -0.022 9.534 498 HG11 VAL 64 HG11 VAL 64 4.027 0.687 7.187 499 HG12 VAL 64 HG12 VAL 64 3.806 2.376 7.704 500 HG13 VAL 64 HG13 VAL 64 5.354 1.549 7.994 501 HG21 VAL 64 HG21 VAL 64 3.686 2.910 10.173 502 HG22 VAL 64 HG22 VAL 64 3.848 1.593 11.358 503 HG23 VAL 64 HG23 VAL 64 5.243 2.076 10.375 504 H LEU 65 H LEU 65 1.493 -1.681 9.671 505 HA LEU 65 HA LEU 65 0.784 -1.154 12.516 506 HB2 LEU 65 HB2 LEU 65 -0.214 -3.270 10.574 507 HB3 LEU 65 HB3 LEU 65 -0.626 -3.204 12.297 508 HG LEU 65 HG LEU 65 -1.255 -1.049 10.238 509 HD11 LEU 65 HD11 LEU 65 -2.981 -3.049 11.757 510 HD12 LEU 65 HD12 LEU 65 -3.598 -1.756 10.704 511 HD13 LEU 65 HD13 LEU 65 -2.629 -3.081 10.014 512 HD21 LEU 65 HD21 LEU 65 -0.855 -0.055 12.454 513 HD22 LEU 65 HD22 LEU 65 -2.592 -0.055 12.094 514 HD23 LEU 65 HD23 LEU 65 -1.918 -1.267 13.208 515 H ALA 66 H ALA 66 3.521 -1.627 11.520 516 HA ALA 66 HA ALA 66 4.025 -4.244 12.870 517 HB1 ALA 66 HB1 ALA 66 5.196 -3.030 10.363 518 HB2 ALA 66 HB2 ALA 66 6.140 -4.190 11.350 519 HB3 ALA 66 HB3 ALA 66 4.585 -4.668 10.635
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