NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
26300 | 2khp | 16264 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854 2 HA2 GLY 1 1HA GLY 1 2.829 -0.767 -1.203 3 HA3 GLY 1 2HA GLY 1 1.392 -0.223 -2.057 4 HA PRO 2 HA PRO 2 4.864 3.020 -2.037 5 HB2 PRO 2 1HB PRO 2 5.615 2.782 -4.635 6 HB3 PRO 2 2HB PRO 2 6.362 1.852 -3.331 7 HG2 PRO 2 1HG PRO 2 4.240 1.023 -5.272 8 HG3 PRO 2 2HG PRO 2 5.658 0.119 -4.712 9 HD2 PRO 2 1HD PRO 2 3.173 -0.310 -3.725 10 HD3 PRO 2 2HD PRO 2 4.638 -0.505 -2.741 11 H GLY 3 H GLY 3 2.946 4.350 -1.802 12 HA2 GLY 3 1HA GLY 3 2.464 6.387 -3.317 13 HA3 GLY 3 2HA GLY 3 1.705 5.175 -4.339 14 H SER 4 H SER 4 1.659 6.326 -0.968 15 HA SER 4 HA SER 4 -1.064 5.426 -0.621 16 HB2 SER 4 1HB SER 4 0.691 7.071 1.219 17 HB3 SER 4 2HB SER 4 -0.846 6.324 1.653 18 HG SER 4 HG SER 4 1.596 5.241 1.659 19 H MET 5 H MET 5 -1.776 6.795 -2.491 20 HA MET 5 HA MET 5 -2.865 9.279 -1.454 21 HB2 MET 5 1HB MET 5 -0.648 9.796 -2.589 22 HB3 MET 5 2HB MET 5 -1.410 9.305 -4.096 23 HG2 MET 5 1HG MET 5 -2.969 11.080 -3.993 24 HG3 MET 5 2HG MET 5 -2.529 11.458 -2.329 25 HE1 MET 5 3HE MET 5 -1.438 12.072 -6.191 26 HE2 MET 5 1HE MET 5 0.301 12.040 -5.899 27 HE3 MET 5 2HE MET 5 -0.678 10.617 -5.543 28 H VAL 6 H VAL 6 -4.673 10.056 -2.655 29 HA VAL 6 HA VAL 6 -5.732 8.172 -4.653 30 HB VAL 6 HB VAL 6 -8.022 8.630 -3.674 31 HG11 VAL 6 1HG1 VAL 6 -7.786 6.584 -2.847 32 HG12 VAL 6 2HG1 VAL 6 -6.034 6.764 -2.951 33 HG13 VAL 6 3HG1 VAL 6 -6.882 7.214 -1.471 34 HG21 VAL 6 3HG2 VAL 6 -8.318 9.746 -1.727 35 HG22 VAL 6 1HG2 VAL 6 -6.778 9.207 -1.058 36 HG23 VAL 6 2HG2 VAL 6 -6.820 10.537 -2.216 37 H ASP 7 H ASP 7 -7.140 9.059 -6.207 38 HA ASP 7 HA ASP 7 -6.523 11.712 -6.991 39 HB2 ASP 7 1HB ASP 7 -7.350 9.575 -8.357 40 HB3 ASP 7 2HB ASP 7 -8.916 10.346 -8.123 41 H VAL 8 H VAL 8 -7.474 13.582 -6.507 42 HA VAL 8 HA VAL 8 -10.103 13.498 -5.172 43 HB VAL 8 HB VAL 8 -7.858 15.468 -4.716 44 HG11 VAL 8 1HG1 VAL 8 -10.658 15.314 -3.634 45 HG12 VAL 8 2HG1 VAL 8 -9.374 16.213 -2.823 46 HG13 VAL 8 3HG1 VAL 8 -9.873 16.663 -4.454 47 HG21 VAL 8 3HG2 VAL 8 -8.824 13.969 -2.425 48 HG22 VAL 8 1HG2 VAL 8 -8.163 12.924 -3.682 49 HG23 VAL 8 2HG2 VAL 8 -7.175 14.215 -3.000 50 H ILE 9 H ILE 9 -11.688 14.799 -5.919 51 HA ILE 9 HA ILE 9 -10.996 16.791 -7.971 52 HB ILE 9 HB ILE 9 -13.412 14.995 -8.153 53 HG12 ILE 9 1HG1 ILE 9 -10.800 14.797 -9.668 54 HG13 ILE 9 2HG1 ILE 9 -11.334 13.686 -8.412 55 HG21 ILE 9 1HG2 ILE 9 -14.085 16.427 -9.707 56 HG22 ILE 9 2HG2 ILE 9 -12.636 17.401 -9.462 57 HG23 ILE 9 3HG2 ILE 9 -12.627 16.088 -10.639 58 HD11 ILE 9 3HD1 ILE 9 -13.325 13.185 -9.856 59 HD12 ILE 9 1HD1 ILE 9 -12.527 14.101 -11.134 60 HD13 ILE 9 2HD1 ILE 9 -11.767 12.648 -10.484 61 H ILE 10 H ILE 10 -12.182 18.659 -7.958 62 HA ILE 10 HA ILE 10 -14.313 18.880 -5.939 63 HB ILE 10 HB ILE 10 -12.312 19.910 -5.016 64 HG12 ILE 10 1HG1 ILE 10 -13.874 22.306 -5.828 65 HG13 ILE 10 2HG1 ILE 10 -14.761 21.004 -5.042 66 HG21 ILE 10 1HG2 ILE 10 -12.322 21.623 -7.498 67 HG22 ILE 10 2HG2 ILE 10 -11.266 21.843 -6.104 68 HG23 ILE 10 3HG2 ILE 10 -11.134 20.386 -7.088 69 HD11 ILE 10 3HD1 ILE 10 -14.123 22.510 -3.349 70 HD12 ILE 10 1HD1 ILE 10 -13.053 21.116 -3.199 71 HD13 ILE 10 2HD1 ILE 10 -12.467 22.601 -3.950 72 H TYR 11 H TYR 11 -16.119 19.908 -6.576 73 HA TYR 11 HA TYR 11 -16.094 21.143 -9.250 74 HB2 TYR 11 1HB TYR 11 -17.882 19.224 -7.980 75 HB3 TYR 11 2HB TYR 11 -18.747 20.610 -8.636 76 HD1 TYR 11 HD2 TYR 11 -15.792 18.634 -9.803 77 HD2 TYR 11 HD1 TYR 11 -19.698 20.083 -10.667 78 HE1 TYR 11 HE2 TYR 11 -15.654 17.649 -12.053 79 HE2 TYR 11 HE1 TYR 11 -19.572 19.101 -12.918 80 HH TYR 11 HH TYR 11 -17.923 16.889 -13.869 81 H THR 12 H THR 12 -16.384 23.261 -9.314 82 HA THR 12 HA THR 12 -18.091 24.540 -7.300 83 HB THR 12 HB THR 12 -16.552 26.296 -6.851 84 HG1 THR 12 HG1 THR 12 -14.604 26.506 -7.964 85 HG21 THR 12 3HG2 THR 12 -16.137 23.865 -5.911 86 HG22 THR 12 1HG2 THR 12 -15.010 25.177 -5.568 87 HG23 THR 12 2HG2 THR 12 -14.643 24.008 -6.836 88 H ARG 13 H ARG 13 -18.076 27.082 -8.000 89 HA ARG 13 HA ARG 13 -18.379 27.276 -10.901 90 HB2 ARG 13 1HB ARG 13 -20.606 27.904 -10.888 91 HB3 ARG 13 2HB ARG 13 -20.582 26.658 -9.647 92 HG2 ARG 13 1HG ARG 13 -20.059 28.892 -8.185 93 HG3 ARG 13 2HG ARG 13 -21.137 29.521 -9.433 94 HD2 ARG 13 1HD ARG 13 -21.824 26.993 -7.993 95 HD3 ARG 13 2HD ARG 13 -22.127 28.552 -7.228 96 HE ARG 13 HE ARG 13 -23.619 27.367 -9.347 97 HH11 ARG 13 1HH1 ARG 13 -22.567 30.410 -8.024 98 HH12 ARG 13 2HH1 ARG 13 -23.895 31.306 -8.686 99 HH21 ARG 13 1HH2 ARG 13 -25.372 28.534 -10.224 100 HH22 ARG 13 2HH2 ARG 13 -25.490 30.237 -9.937 101 HA PRO 14 HA PRO 14 -16.703 31.301 -10.408 102 HB2 PRO 14 1HB PRO 14 -17.949 32.665 -12.397 103 HB3 PRO 14 2HB PRO 14 -16.693 31.459 -12.700 104 HG2 PRO 14 1HG PRO 14 -19.669 31.177 -12.863 105 HG3 PRO 14 2HG PRO 14 -18.425 30.569 -13.971 106 HD2 PRO 14 1HD PRO 14 -19.626 28.996 -12.123 107 HD3 PRO 14 2HD PRO 14 -17.942 28.755 -12.633 108 H GLY 15 H GLY 15 -17.302 32.289 -8.544 109 HA2 GLY 15 1HA GLY 15 -18.396 34.311 -7.745 110 HA3 GLY 15 2HA GLY 15 -19.839 33.797 -8.607 111 H CYS 16 H CYS 16 -17.925 31.538 -6.770 112 HA CYS 16 HA CYS 16 -20.101 31.397 -4.788 113 HB2 CYS 16 1HB CYS 16 -19.823 29.405 -6.300 114 HB3 CYS 16 2HB CYS 16 -18.234 29.158 -5.584 115 HA PRO 17 HA PRO 17 -16.797 32.775 -2.078 116 HB2 PRO 17 1HB PRO 17 -18.412 33.183 0.066 117 HB3 PRO 17 2HB PRO 17 -18.283 34.331 -1.272 118 HG2 PRO 17 1HG PRO 17 -20.377 32.256 -0.753 119 HG3 PRO 17 2HG PRO 17 -20.573 33.930 -1.302 120 HD2 PRO 17 1HD PRO 17 -20.676 31.821 -2.996 121 HD3 PRO 17 2HD PRO 17 -20.051 33.409 -3.485 122 H TYR 18 H TYR 18 -19.381 30.625 -0.874 123 HA TYR 18 HA TYR 18 -17.887 29.443 1.176 124 HB2 TYR 18 1HB TYR 18 -20.088 28.072 -0.369 125 HB3 TYR 18 2HB TYR 18 -19.614 27.795 1.303 126 HD1 TYR 18 HD2 TYR 18 -19.545 30.315 2.576 127 HD2 TYR 18 HD1 TYR 18 -22.183 29.016 -0.499 128 HE1 TYR 18 HE2 TYR 18 -21.218 31.955 3.326 129 HE2 TYR 18 HE1 TYR 18 -23.863 30.653 0.242 130 HH TYR 18 HH TYR 18 -23.290 32.721 3.069 131 H CYS 19 H CYS 19 -18.035 28.787 -2.245 132 HA CYS 19 HA CYS 19 -16.794 26.223 -2.146 133 HB2 CYS 19 1HB CYS 19 -16.927 28.180 -4.449 134 HB3 CYS 19 2HB CYS 19 -16.552 26.464 -4.563 135 H ALA 20 H ALA 20 -15.582 29.452 -3.042 136 HA ALA 20 HA ALA 20 -12.944 28.817 -3.536 137 HB1 ALA 20 1HB ALA 20 -14.449 31.177 -3.163 138 HB2 ALA 20 2HB ALA 20 -13.011 31.308 -2.150 139 HB3 ALA 20 3HB ALA 20 -12.847 31.006 -3.879 140 H ARG 21 H ARG 21 -14.425 29.678 -0.419 141 HA ARG 21 HA ARG 21 -12.150 29.632 1.164 142 HB2 ARG 21 1HB ARG 21 -15.053 29.252 1.637 143 HB3 ARG 21 2HB ARG 21 -13.972 28.683 2.902 144 HG2 ARG 21 1HG ARG 21 -13.293 30.780 3.463 145 HG3 ARG 21 2HG ARG 21 -13.522 31.410 1.831 146 HD2 ARG 21 1HD ARG 21 -15.866 31.565 2.120 147 HD3 ARG 21 2HD ARG 21 -15.818 30.605 3.598 148 HE ARG 21 HE ARG 21 -14.268 32.949 3.901 149 HH11 ARG 21 1HH1 ARG 21 -17.569 31.857 3.733 150 HH12 ARG 21 2HH1 ARG 21 -18.185 33.157 4.698 151 HH21 ARG 21 1HH2 ARG 21 -15.067 34.665 5.173 152 HH22 ARG 21 2HH2 ARG 21 -16.761 34.754 5.517 153 H ALA 22 H ALA 22 -14.282 26.956 0.237 154 HA ALA 22 HA ALA 22 -13.043 24.960 1.778 155 HB1 ALA 22 1HB ALA 22 -15.040 24.200 1.020 156 HB2 ALA 22 2HB ALA 22 -14.884 25.011 -0.539 157 HB3 ALA 22 3HB ALA 22 -14.014 23.508 -0.236 158 H LYS 23 H LYS 23 -12.585 25.839 -1.643 159 HA LYS 23 HA LYS 23 -10.639 23.976 -2.294 160 HB2 LYS 23 1HB LYS 23 -10.773 26.820 -3.309 161 HB3 LYS 23 2HB LYS 23 -10.018 25.452 -4.116 162 HG2 LYS 23 1HG LYS 23 -12.592 24.580 -3.727 163 HG3 LYS 23 2HG LYS 23 -12.801 26.298 -4.075 164 HD2 LYS 23 1HD LYS 23 -11.259 24.330 -5.766 165 HD3 LYS 23 2HD LYS 23 -12.874 24.948 -6.118 166 HE2 LYS 23 1HE LYS 23 -11.298 27.211 -5.683 167 HE3 LYS 23 2HE LYS 23 -10.293 26.129 -6.644 168 HZ1 LYS 23 3HZ LYS 23 -12.848 27.394 -7.337 169 HZ2 LYS 23 1HZ LYS 23 -12.466 25.901 -8.036 170 HZ3 LYS 23 2HZ LYS 23 -11.443 27.229 -8.265 171 H ALA 24 H ALA 24 -10.200 27.265 -1.013 172 HA ALA 24 HA ALA 24 -7.396 27.229 -0.936 173 HB1 ALA 24 1HB ALA 24 -7.531 29.172 0.399 174 HB2 ALA 24 2HB ALA 24 -8.920 29.231 -0.687 175 HB3 ALA 24 3HB ALA 24 -9.135 28.743 0.994 176 H LEU 25 H LEU 25 -9.810 26.273 1.470 177 HA LEU 25 HA LEU 25 -8.076 25.797 3.612 178 HB2 LEU 25 1HB LEU 25 -10.480 25.893 3.885 179 HB3 LEU 25 2HB LEU 25 -10.674 24.447 2.895 180 HG LEU 25 HG LEU 25 -9.595 23.104 4.615 181 HD11 LEU 25 1HD1 LEU 25 -8.034 24.560 5.600 182 HD12 LEU 25 2HD1 LEU 25 -9.215 24.216 6.863 183 HD13 LEU 25 3HD1 LEU 25 -9.272 25.752 5.997 184 HD21 LEU 25 3HD2 LEU 25 -12.105 24.367 4.806 185 HD22 LEU 25 1HD2 LEU 25 -11.427 24.332 6.434 186 HD23 LEU 25 2HD2 LEU 25 -11.603 22.834 5.519 187 H LEU 26 H LEU 26 -9.149 23.664 0.996 188 HA LEU 26 HA LEU 26 -7.785 21.362 1.960 189 HB2 LEU 26 1HB LEU 26 -9.273 22.135 -0.456 190 HB3 LEU 26 2HB LEU 26 -8.038 20.902 -0.701 191 HG LEU 26 HG LEU 26 -10.034 20.555 1.493 192 HD11 LEU 26 1HD1 LEU 26 -10.592 20.534 -1.406 193 HD12 LEU 26 2HD1 LEU 26 -11.672 20.815 -0.040 194 HD13 LEU 26 3HD1 LEU 26 -11.210 19.170 -0.475 195 HD21 LEU 26 3HD2 LEU 26 -9.234 18.330 -0.239 196 HD22 LEU 26 1HD2 LEU 26 -9.292 18.439 1.520 197 HD23 LEU 26 2HD2 LEU 26 -7.906 19.087 0.642 198 H ALA 27 H ALA 27 -6.948 23.969 -0.245 199 HA ALA 27 HA ALA 27 -4.517 22.782 -1.162 200 HB1 ALA 27 1HB ALA 27 -5.226 25.708 -1.215 201 HB2 ALA 27 2HB ALA 27 -4.101 24.847 -2.266 202 HB3 ALA 27 3HB ALA 27 -5.832 24.536 -2.386 203 H ARG 28 H ARG 28 -5.432 24.688 1.586 204 HA ARG 28 HA ARG 28 -2.916 25.747 2.273 205 HB2 ARG 28 1HB ARG 28 -5.319 26.216 3.225 206 HB3 ARG 28 2HB ARG 28 -4.896 24.950 4.370 207 HG2 ARG 28 1HG ARG 28 -4.112 26.678 5.570 208 HG3 ARG 28 2HG ARG 28 -2.694 26.481 4.539 209 HD2 ARG 28 1HD ARG 28 -3.232 28.306 3.227 210 HD3 ARG 28 2HD ARG 28 -4.943 28.232 3.647 211 HE ARG 28 HE ARG 28 -2.864 29.611 5.074 212 HH11 ARG 28 1HH1 ARG 28 -6.008 28.134 5.314 213 HH12 ARG 28 2HH1 ARG 28 -6.484 29.066 6.695 214 HH21 ARG 28 1HH2 ARG 28 -3.479 30.843 6.892 215 HH22 ARG 28 2HH2 ARG 28 -5.045 30.607 7.591 216 H LYS 29 H LYS 29 -4.577 22.801 3.385 217 HA LYS 29 HA LYS 29 -2.481 21.895 5.042 218 HB2 LYS 29 1HB LYS 29 -3.640 19.657 4.810 219 HB3 LYS 29 2HB LYS 29 -4.640 20.977 5.402 220 HG2 LYS 29 1HG LYS 29 -5.684 21.226 3.259 221 HG3 LYS 29 2HG LYS 29 -4.579 20.054 2.537 222 HD2 LYS 29 1HD LYS 29 -6.758 19.048 2.994 223 HD3 LYS 29 2HD LYS 29 -5.495 18.301 3.975 224 HE2 LYS 29 1HE LYS 29 -6.951 20.605 5.144 225 HE3 LYS 29 2HE LYS 29 -7.832 19.085 4.990 226 HZ1 LYS 29 3HZ LYS 29 -5.283 18.555 6.040 227 HZ2 LYS 29 1HZ LYS 29 -6.791 18.330 6.773 228 HZ3 LYS 29 2HZ LYS 29 -5.978 19.803 6.945 229 H GLY 30 H GLY 30 -2.811 21.967 1.652 230 HA2 GLY 30 1HA GLY 30 -0.953 21.534 0.225 231 HA3 GLY 30 2HA GLY 30 -0.363 20.366 1.398 232 H ALA 31 H ALA 31 -3.707 20.184 0.757 233 HA ALA 31 HA ALA 31 -3.354 17.610 -0.519 234 HB1 ALA 31 1HB ALA 31 -5.820 17.462 -0.341 235 HB2 ALA 31 2HB ALA 31 -5.028 17.784 1.202 236 HB3 ALA 31 3HB ALA 31 -5.837 19.091 0.336 237 H GLU 32 H GLU 32 -3.096 17.450 -2.641 238 HA GLU 32 HA GLU 32 -3.860 19.578 -4.422 239 HB2 GLU 32 1HB GLU 32 -2.813 18.275 -6.154 240 HB3 GLU 32 2HB GLU 32 -1.788 18.232 -4.727 241 HG2 GLU 32 1HG GLU 32 -2.891 16.016 -4.181 242 HG3 GLU 32 2HG GLU 32 -3.549 16.062 -5.815 243 H PHE 33 H PHE 33 -5.555 19.662 -5.798 244 HA PHE 33 HA PHE 33 -7.202 17.316 -6.258 245 HB2 PHE 33 1HB PHE 33 -9.282 18.519 -5.566 246 HB3 PHE 33 2HB PHE 33 -8.205 18.137 -4.227 247 HD1 PHE 33 HD1 PHE 33 -9.220 20.868 -6.518 248 HD2 PHE 33 HD2 PHE 33 -7.431 19.814 -2.803 249 HE1 PHE 33 HE1 PHE 33 -9.222 23.236 -5.849 250 HE2 PHE 33 HE2 PHE 33 -7.432 22.179 -2.127 251 HZ PHE 33 HZ PHE 33 -8.329 23.894 -3.650 252 H ASN 34 H ASN 34 -8.504 17.470 -8.089 253 HA ASN 34 HA ASN 34 -7.653 19.449 -10.003 254 HB2 ASN 34 1HB ASN 34 -8.026 17.030 -10.568 255 HB3 ASN 34 2HB ASN 34 -9.752 17.300 -10.347 256 HD21 ASN 34 2HD2 ASN 34 -9.784 16.533 -12.593 257 HD22 ASN 34 1HD2 ASN 34 -9.559 17.688 -13.858 258 H GLU 35 H GLU 35 -8.594 21.350 -10.295 259 HA GLU 35 HA GLU 35 -11.181 21.897 -9.108 260 HB2 GLU 35 1HB GLU 35 -9.484 23.573 -8.810 261 HB3 GLU 35 2HB GLU 35 -9.181 23.648 -10.540 262 HG2 GLU 35 1HG GLU 35 -11.942 24.226 -9.706 263 HG3 GLU 35 2HG GLU 35 -10.723 25.394 -9.198 264 H ILE 36 H ILE 36 -13.000 21.543 -10.177 265 HA ILE 36 HA ILE 36 -13.038 22.002 -13.086 266 HB ILE 36 HB ILE 36 -14.542 19.826 -11.627 267 HG12 ILE 36 1HG1 ILE 36 -12.232 19.607 -13.569 268 HG13 ILE 36 2HG1 ILE 36 -12.102 19.401 -11.826 269 HG21 ILE 36 1HG2 ILE 36 -14.384 20.517 -14.557 270 HG22 ILE 36 2HG2 ILE 36 -15.158 19.079 -13.894 271 HG23 ILE 36 3HG2 ILE 36 -15.795 20.678 -13.511 272 HD11 ILE 36 3HD1 ILE 36 -12.169 17.257 -12.922 273 HD12 ILE 36 1HD1 ILE 36 -13.630 17.486 -11.961 274 HD13 ILE 36 2HD1 ILE 36 -13.688 17.678 -13.714 275 H ASP 37 H ASP 37 -14.898 22.910 -13.946 276 HA ASP 37 HA ASP 37 -16.546 24.345 -12.024 277 HB2 ASP 37 1HB ASP 37 -16.619 24.551 -15.037 278 HB3 ASP 37 2HB ASP 37 -17.248 25.708 -13.868 279 H ALA 38 H ALA 38 -18.816 24.296 -12.012 280 HA ALA 38 HA ALA 38 -19.967 21.851 -13.188 281 HB1 ALA 38 1HB ALA 38 -21.201 21.490 -11.307 282 HB2 ALA 38 2HB ALA 38 -19.817 22.314 -10.586 283 HB3 ALA 38 3HB ALA 38 -21.304 23.206 -10.909 284 H SER 39 H SER 39 -20.518 25.274 -12.533 285 HA SER 39 HA SER 39 -23.109 25.445 -13.620 286 HB2 SER 39 1HB SER 39 -22.823 27.813 -13.562 287 HB3 SER 39 2HB SER 39 -21.934 27.175 -12.178 288 HG SER 39 HG SER 39 -20.094 27.189 -13.813 289 H ALA 40 H ALA 40 -20.087 24.988 -15.101 290 HA ALA 40 HA ALA 40 -20.247 26.302 -17.513 291 HB1 ALA 40 1HB ALA 40 -19.175 23.912 -18.268 292 HB2 ALA 40 2HB ALA 40 -18.281 25.229 -17.507 293 HB3 ALA 40 3HB ALA 40 -18.899 23.900 -16.525 294 H THR 41 H THR 41 -21.972 23.440 -16.461 295 HA THR 41 HA THR 41 -23.664 23.638 -18.841 296 HB THR 41 HB THR 41 -23.641 20.951 -18.578 297 HG1 THR 41 HG1 THR 41 -21.104 21.909 -17.759 298 HG21 THR 41 3HG2 THR 41 -22.293 20.883 -20.576 299 HG22 THR 41 1HG2 THR 41 -21.633 22.482 -20.234 300 HG23 THR 41 2HG2 THR 41 -23.338 22.301 -20.647 301 HA PRO 42 HA PRO 42 -27.011 22.990 -16.077 302 HB2 PRO 42 1HB PRO 42 -28.743 21.567 -17.608 303 HB3 PRO 42 2HB PRO 42 -28.416 23.284 -17.871 304 HG2 PRO 42 1HG PRO 42 -27.301 20.902 -19.301 305 HG3 PRO 42 2HG PRO 42 -27.874 22.441 -19.969 306 HD2 PRO 42 1HD PRO 42 -25.246 21.897 -19.611 307 HD3 PRO 42 2HD PRO 42 -25.910 23.536 -19.462 308 H GLU 43 H GLU 43 -25.987 20.066 -17.818 309 HA GLU 43 HA GLU 43 -27.153 18.248 -15.969 310 HB2 GLU 43 1HB GLU 43 -26.375 17.862 -18.422 311 HB3 GLU 43 2HB GLU 43 -24.800 17.559 -17.701 312 HG2 GLU 43 1HG GLU 43 -25.570 15.679 -16.535 313 HG3 GLU 43 2HG GLU 43 -27.260 16.109 -16.792 314 H LEU 44 H LEU 44 -23.819 19.385 -16.463 315 HA LEU 44 HA LEU 44 -22.600 17.912 -14.439 316 HB2 LEU 44 1HB LEU 44 -21.978 20.501 -15.787 317 HB3 LEU 44 2HB LEU 44 -21.019 19.996 -14.398 318 HG LEU 44 HG LEU 44 -21.331 18.464 -16.980 319 HD11 LEU 44 1HD1 LEU 44 -18.706 19.460 -16.099 320 HD12 LEU 44 2HD1 LEU 44 -19.851 20.691 -16.631 321 HD13 LEU 44 3HD1 LEU 44 -19.408 19.372 -17.714 322 HD21 LEU 44 3HD2 LEU 44 -20.662 16.697 -15.813 323 HD22 LEU 44 1HD2 LEU 44 -20.465 17.667 -14.353 324 HD23 LEU 44 2HD2 LEU 44 -19.141 17.538 -15.511 325 H ARG 45 H ARG 45 -24.358 20.953 -14.308 326 HA ARG 45 HA ARG 45 -23.728 21.372 -11.514 327 HB2 ARG 45 1HB ARG 45 -23.955 23.314 -12.956 328 HB3 ARG 45 2HB ARG 45 -25.589 22.834 -13.393 329 HG2 ARG 45 1HG ARG 45 -25.325 23.051 -10.536 330 HG3 ARG 45 2HG ARG 45 -24.821 24.542 -11.334 331 HD2 ARG 45 1HD ARG 45 -27.328 23.245 -12.259 332 HD3 ARG 45 2HD ARG 45 -27.353 24.063 -10.697 333 HE ARG 45 HE ARG 45 -26.207 25.674 -12.763 334 HH11 ARG 45 1HH1 ARG 45 -29.202 24.614 -11.341 335 HH12 ARG 45 2HH1 ARG 45 -30.094 26.003 -11.865 336 HH21 ARG 45 1HH2 ARG 45 -27.370 27.508 -13.460 337 HH22 ARG 45 2HH2 ARG 45 -29.052 27.648 -13.071 338 H ALA 46 H ALA 46 -26.226 19.908 -13.407 339 HA ALA 46 HA ALA 46 -28.251 19.957 -11.383 340 HB1 ALA 46 1HB ALA 46 -29.245 19.716 -13.415 341 HB2 ALA 46 2HB ALA 46 -27.940 18.720 -14.061 342 HB3 ALA 46 3HB ALA 46 -29.126 18.014 -12.964 343 H GLU 47 H GLU 47 -26.100 17.415 -12.654 344 HA GLU 47 HA GLU 47 -26.919 15.398 -10.880 345 HB2 GLU 47 1HB GLU 47 -24.832 14.259 -11.500 346 HB3 GLU 47 2HB GLU 47 -25.660 14.907 -12.909 347 HG2 GLU 47 1HG GLU 47 -24.063 16.963 -12.449 348 HG3 GLU 47 2HG GLU 47 -23.088 15.714 -11.677 349 H MET 48 H MET 48 -24.487 17.923 -10.604 350 HA MET 48 HA MET 48 -23.300 16.933 -8.214 351 HB2 MET 48 1HB MET 48 -23.003 19.238 -9.954 352 HB3 MET 48 2HB MET 48 -22.884 19.691 -8.259 353 HG2 MET 48 1HG MET 48 -20.696 19.215 -9.108 354 HG3 MET 48 2HG MET 48 -21.153 17.970 -7.948 355 HE1 MET 48 3HE MET 48 -22.098 15.051 -9.627 356 HE2 MET 48 1HE MET 48 -20.385 15.028 -9.206 357 HE3 MET 48 2HE MET 48 -21.533 15.891 -8.182 358 H GLN 49 H GLN 49 -25.570 19.616 -8.821 359 HA GLN 49 HA GLN 49 -26.006 20.212 -6.098 360 HB2 GLN 49 1HB GLN 49 -27.728 21.657 -6.830 361 HB3 GLN 49 2HB GLN 49 -26.517 21.683 -8.105 362 HG2 GLN 49 1HG GLN 49 -27.874 20.022 -9.352 363 HG3 GLN 49 2HG GLN 49 -29.116 20.170 -8.110 364 HE21 GLN 49 2HE2 GLN 49 -29.744 22.522 -7.666 365 HE22 GLN 49 1HE2 GLN 49 -30.012 23.504 -9.062 366 H GLU 50 H GLU 50 -27.286 17.782 -8.190 367 HA GLU 50 HA GLU 50 -29.668 17.245 -6.720 368 HB2 GLU 50 1HB GLU 50 -29.557 16.555 -9.015 369 HB3 GLU 50 2HB GLU 50 -28.105 15.609 -8.717 370 HG2 GLU 50 1HG GLU 50 -29.398 14.096 -7.286 371 HG3 GLU 50 2HG GLU 50 -30.852 15.032 -7.629 372 H ARG 51 H ARG 51 -26.348 16.340 -6.383 373 HA ARG 51 HA ARG 51 -26.778 14.027 -4.763 374 HB2 ARG 51 1HB ARG 51 -24.387 15.765 -5.328 375 HB3 ARG 51 2HB ARG 51 -24.316 14.464 -4.147 376 HG2 ARG 51 1HG ARG 51 -24.903 12.847 -5.868 377 HG3 ARG 51 2HG ARG 51 -25.019 14.146 -7.057 378 HD2 ARG 51 1HD ARG 51 -22.822 14.108 -7.405 379 HD3 ARG 51 2HD ARG 51 -22.496 14.257 -5.679 380 HE ARG 51 HE ARG 51 -23.169 11.648 -5.977 381 HH11 ARG 51 1HH1 ARG 51 -20.854 13.735 -7.526 382 HH12 ARG 51 2HH1 ARG 51 -19.727 12.460 -7.852 383 HH21 ARG 51 1HH2 ARG 51 -21.693 9.961 -6.400 384 HH22 ARG 51 2HH2 ARG 51 -20.206 10.314 -7.212 385 H SER 52 H SER 52 -26.382 17.454 -4.156 386 HA SER 52 HA SER 52 -26.247 17.054 -1.279 387 HB2 SER 52 1HB SER 52 -25.333 19.053 -3.031 388 HB3 SER 52 2HB SER 52 -26.600 19.811 -2.068 389 HG SER 52 HG SER 52 -24.640 18.239 -0.812 390 H GLY 53 H GLY 53 -28.493 18.230 -3.723 391 HA2 GLY 53 1HA GLY 53 -30.832 18.142 -3.561 392 HA3 GLY 53 2HA GLY 53 -30.680 17.891 -1.828 393 H ARG 54 H ARG 54 -28.912 20.459 -3.343 394 HA ARG 54 HA ARG 54 -30.913 22.419 -2.466 395 HB2 ARG 54 1HB ARG 54 -27.961 22.609 -1.843 396 HB3 ARG 54 2HB ARG 54 -29.193 23.790 -1.417 397 HG2 ARG 54 1HG ARG 54 -29.491 20.988 -0.457 398 HG3 ARG 54 2HG ARG 54 -28.328 22.052 0.335 399 HD2 ARG 54 1HD ARG 54 -30.107 22.632 1.589 400 HD3 ARG 54 2HD ARG 54 -30.473 23.681 0.220 401 HE ARG 54 HE ARG 54 -32.268 22.345 -0.291 402 HH11 ARG 54 1HH1 ARG 54 -30.235 20.728 2.027 403 HH12 ARG 54 2HH1 ARG 54 -31.370 19.454 2.329 404 HH21 ARG 54 1HH2 ARG 54 -33.770 20.673 0.098 405 HH22 ARG 54 2HH2 ARG 54 -33.380 19.424 1.231 406 H ASN 55 H ASN 55 -30.076 24.717 -3.172 407 HA ASN 55 HA ASN 55 -30.225 24.950 -5.878 408 HB2 ASN 55 1HB ASN 55 -28.769 27.134 -5.423 409 HB3 ASN 55 2HB ASN 55 -30.436 26.998 -4.870 410 HD21 ASN 55 2HD2 ASN 55 -30.869 26.902 -2.718 411 HD22 ASN 55 1HD2 ASN 55 -29.669 27.099 -1.491 412 H THR 56 H THR 56 -27.125 25.650 -4.288 413 HA THR 56 HA THR 56 -25.668 23.818 -5.948 414 HB THR 56 HB THR 56 -24.994 26.715 -6.396 415 HG1 THR 56 HG1 THR 56 -26.441 26.837 -7.968 416 HG21 THR 56 3HG2 THR 56 -24.095 25.609 -8.551 417 HG22 THR 56 1HG2 THR 56 -24.268 24.094 -7.665 418 HG23 THR 56 2HG2 THR 56 -23.207 25.361 -7.047 419 H PHE 57 H PHE 57 -23.825 23.239 -4.964 420 HA PHE 57 HA PHE 57 -22.503 25.075 -3.129 421 HB2 PHE 57 1HB PHE 57 -22.802 23.879 -1.207 422 HB3 PHE 57 2HB PHE 57 -24.299 23.432 -2.018 423 HD1 PHE 57 HD2 PHE 57 -23.780 21.373 -3.799 424 HD2 PHE 57 HD1 PHE 57 -21.819 22.141 -0.100 425 HE1 PHE 57 HE2 PHE 57 -23.158 18.998 -3.639 426 HE2 PHE 57 HE1 PHE 57 -21.193 19.768 0.065 427 HZ PHE 57 HZ PHE 57 -21.864 18.192 -1.705 428 HA PRO 58 HA PRO 58 -18.793 23.210 -4.540 429 HB2 PRO 58 1HB PRO 58 -17.258 23.133 -2.302 430 HB3 PRO 58 2HB PRO 58 -17.646 24.635 -3.150 431 HG2 PRO 58 1HG PRO 58 -18.903 23.466 -0.698 432 HG3 PRO 58 2HG PRO 58 -18.450 25.148 -1.029 433 HD2 PRO 58 1HD PRO 58 -20.997 24.256 -1.246 434 HD3 PRO 58 2HD PRO 58 -20.345 25.545 -2.279 435 H GLN 59 H GLN 59 -18.425 21.164 -5.095 436 HA GLN 59 HA GLN 59 -19.085 19.032 -3.195 437 HB2 GLN 59 1HB GLN 59 -18.713 19.033 -6.190 438 HB3 GLN 59 2HB GLN 59 -18.900 17.560 -5.247 439 HG2 GLN 59 1HG GLN 59 -21.058 17.861 -5.839 440 HG3 GLN 59 2HG GLN 59 -21.049 18.843 -4.375 441 HE21 GLN 59 2HE2 GLN 59 -22.889 19.900 -5.348 442 HE22 GLN 59 1HE2 GLN 59 -22.635 21.161 -6.501 443 H ILE 60 H ILE 60 -17.563 17.797 -2.292 444 HA ILE 60 HA ILE 60 -14.820 17.985 -3.357 445 HB ILE 60 HB ILE 60 -15.773 17.890 -0.505 446 HG12 ILE 60 1HG1 ILE 60 -14.110 19.809 -0.359 447 HG13 ILE 60 2HG1 ILE 60 -14.011 19.740 -2.116 448 HG21 ILE 60 1HG2 ILE 60 -13.307 17.711 0.062 449 HG22 ILE 60 2HG2 ILE 60 -14.090 16.242 -0.518 450 HG23 ILE 60 3HG2 ILE 60 -13.066 17.183 -1.603 451 HD11 ILE 60 3HD1 ILE 60 -15.919 20.849 -2.361 452 HD12 ILE 60 1HD1 ILE 60 -16.747 19.865 -1.154 453 HD13 ILE 60 2HD1 ILE 60 -15.772 21.246 -0.649 454 H PHE 61 H PHE 61 -14.621 16.128 -4.487 455 HA PHE 61 HA PHE 61 -15.528 13.619 -3.289 456 HB2 PHE 61 1HB PHE 61 -14.332 14.008 -6.034 457 HB3 PHE 61 2HB PHE 61 -15.272 12.636 -5.454 458 HD1 PHE 61 HD2 PHE 61 -17.680 13.373 -4.509 459 HD2 PHE 61 HD1 PHE 61 -15.399 15.471 -7.426 460 HE1 PHE 61 HE2 PHE 61 -19.737 14.425 -5.355 461 HE2 PHE 61 HE1 PHE 61 -17.452 16.528 -8.276 462 HZ PHE 61 HZ PHE 61 -19.625 16.004 -7.242 463 H ILE 62 H ILE 62 -14.150 12.510 -2.085 464 HA ILE 62 HA ILE 62 -11.278 12.654 -2.736 465 HB ILE 62 HB ILE 62 -12.585 12.267 -0.042 466 HG12 ILE 62 1HG1 ILE 62 -10.815 14.468 -1.131 467 HG13 ILE 62 2HG1 ILE 62 -12.546 14.591 -0.833 468 HG21 ILE 62 1HG2 ILE 62 -10.647 10.842 -0.180 469 HG22 ILE 62 2HG2 ILE 62 -9.674 12.167 -0.815 470 HG23 ILE 62 3HG2 ILE 62 -10.273 12.230 0.842 471 HD11 ILE 62 3HD1 ILE 62 -11.803 13.885 1.602 472 HD12 ILE 62 1HD1 ILE 62 -10.282 14.606 1.074 473 HD13 ILE 62 2HD1 ILE 62 -11.764 15.563 1.059 474 H GLY 63 H GLY 63 -10.418 10.823 -3.449 475 HA2 GLY 63 1HA GLY 63 -10.032 8.585 -3.789 476 HA3 GLY 63 2HA GLY 63 -10.833 8.302 -2.250 477 H SER 64 H SER 64 -12.749 7.308 -2.261 478 HA SER 64 HA SER 64 -14.175 7.110 -4.833 479 HB2 SER 64 1HB SER 64 -14.740 4.840 -4.367 480 HB3 SER 64 2HB SER 64 -13.013 4.992 -4.048 481 HG SER 64 HG SER 64 -15.031 4.341 -2.354 482 H VAL 65 H VAL 65 -14.351 8.630 -2.050 483 HA VAL 65 HA VAL 65 -17.270 8.290 -1.808 484 HB VAL 65 HB VAL 65 -15.442 9.120 0.444 485 HG11 VAL 65 1HG1 VAL 65 -17.642 9.926 0.801 486 HG12 VAL 65 2HG1 VAL 65 -18.360 8.401 0.280 487 HG13 VAL 65 3HG1 VAL 65 -17.470 8.483 1.801 488 HG21 VAL 65 3HG2 VAL 65 -14.786 6.949 0.325 489 HG22 VAL 65 1HG2 VAL 65 -16.283 6.711 1.227 490 HG23 VAL 65 2HG2 VAL 65 -16.250 6.436 -0.514 491 H HIS 66 H HIS 66 -18.492 10.168 -1.353 492 HA HIS 66 HA HIS 66 -17.207 12.625 -2.297 493 HB2 HIS 66 1HB HIS 66 -19.178 12.039 -3.536 494 HB3 HIS 66 2HB HIS 66 -20.109 11.821 -2.057 495 HD1 HIS 66 HD1 HIS 66 -21.847 13.576 -2.835 496 HD2 HIS 66 HD2 HIS 66 -17.992 15.065 -2.409 497 HE1 HIS 66 HE1 HIS 66 -22.082 16.079 -2.898 498 H VAL 67 H VAL 67 -16.275 13.640 -0.608 499 HA VAL 67 HA VAL 67 -17.013 13.606 2.048 500 HB VAL 67 HB VAL 67 -15.730 15.880 0.528 501 HG11 VAL 67 1HG1 VAL 67 -16.531 15.614 3.313 502 HG12 VAL 67 2HG1 VAL 67 -14.813 15.972 3.123 503 HG13 VAL 67 3HG1 VAL 67 -16.022 17.042 2.412 504 HG21 VAL 67 3HG2 VAL 67 -14.742 13.337 1.669 505 HG22 VAL 67 1HG2 VAL 67 -14.163 14.263 0.284 506 HG23 VAL 67 2HG2 VAL 67 -13.734 14.762 1.920 507 H GLY 68 H GLY 68 -17.493 16.547 0.105 508 HA2 GLY 68 1HA GLY 68 -20.191 16.868 0.178 509 HA3 GLY 68 2HA GLY 68 -19.688 17.351 1.791 510 H GLY 69 H GLY 69 -19.254 19.435 2.065 511 HA2 GLY 69 1HA GLY 69 -18.065 20.960 -0.129 512 HA3 GLY 69 2HA GLY 69 -19.626 21.501 0.471 513 H CYS 70 H CYS 70 -18.901 23.463 1.245 514 HA CYS 70 HA CYS 70 -16.610 23.902 2.769 515 HB2 CYS 70 1HB CYS 70 -17.712 25.982 3.509 516 HB3 CYS 70 2HB CYS 70 -17.882 25.730 1.776 517 HG CYS 70 HG CYS 70 -20.537 24.603 2.181 518 H ASP 71 H ASP 71 -19.796 22.785 3.706 519 HA ASP 71 HA ASP 71 -19.433 23.087 6.511 520 HB2 ASP 71 1HB ASP 71 -21.625 22.762 5.148 521 HB3 ASP 71 2HB ASP 71 -21.267 21.043 5.294 522 H ASP 72 H ASP 72 -19.185 20.289 4.329 523 HA ASP 72 HA ASP 72 -18.401 18.449 6.326 524 HB2 ASP 72 1HB ASP 72 -18.139 18.459 3.324 525 HB3 ASP 72 2HB ASP 72 -17.527 17.132 4.307 526 H LEU 73 H LEU 73 -16.596 20.591 4.194 527 HA LEU 73 HA LEU 73 -14.028 19.545 4.801 528 HB2 LEU 73 1HB LEU 73 -14.874 21.138 2.885 529 HB3 LEU 73 2HB LEU 73 -14.410 22.397 4.028 530 HG LEU 73 HG LEU 73 -12.114 21.439 4.060 531 HD11 LEU 73 1HD1 LEU 73 -11.516 19.592 2.934 532 HD12 LEU 73 2HD1 LEU 73 -12.554 19.967 1.559 533 HD13 LEU 73 3HD1 LEU 73 -13.237 19.213 2.999 534 HD21 LEU 73 3HD2 LEU 73 -13.327 22.441 1.503 535 HD22 LEU 73 1HD2 LEU 73 -11.597 22.139 1.657 536 HD23 LEU 73 2HD2 LEU 73 -12.380 23.326 2.700 537 H TYR 74 H TYR 74 -15.950 22.202 6.123 538 HA TYR 74 HA TYR 74 -13.912 23.071 7.933 539 HB2 TYR 74 1HB TYR 74 -16.786 23.734 7.473 540 HB3 TYR 74 2HB TYR 74 -16.056 24.196 9.006 541 HD1 TYR 74 HD2 TYR 74 -14.513 24.149 5.620 542 HD2 TYR 74 HD1 TYR 74 -15.898 26.523 8.868 543 HE1 TYR 74 HE2 TYR 74 -13.559 26.151 4.556 544 HE2 TYR 74 HE1 TYR 74 -14.949 28.532 7.813 545 HH TYR 74 HH TYR 74 -12.708 28.568 5.611 546 H ALA 75 H ALA 75 -16.637 20.872 8.095 547 HA ALA 75 HA ALA 75 -16.554 20.540 10.937 548 HB1 ALA 75 1HB ALA 75 -17.933 19.081 8.708 549 HB2 ALA 75 2HB ALA 75 -17.983 18.487 10.369 550 HB3 ALA 75 3HB ALA 75 -18.634 20.080 9.982 551 H LEU 76 H LEU 76 -15.081 18.945 8.186 552 HA LEU 76 HA LEU 76 -14.109 16.709 9.708 553 HB2 LEU 76 1HB LEU 76 -13.776 17.700 6.917 554 HB3 LEU 76 2HB LEU 76 -12.634 16.513 7.545 555 HG LEU 76 HG LEU 76 -14.855 15.851 6.210 556 HD11 LEU 76 1HD1 LEU 76 -13.437 14.112 6.603 557 HD12 LEU 76 2HD1 LEU 76 -14.729 13.692 7.727 558 HD13 LEU 76 3HD1 LEU 76 -13.270 14.487 8.319 559 HD21 LEU 76 3HD2 LEU 76 -15.699 15.696 9.099 560 HD22 LEU 76 1HD2 LEU 76 -16.622 15.192 7.684 561 HD23 LEU 76 2HD2 LEU 76 -16.289 16.903 7.956 562 H GLU 77 H GLU 77 -12.647 19.618 8.277 563 HA GLU 77 HA GLU 77 -10.017 19.166 9.082 564 HB2 GLU 77 1HB GLU 77 -9.599 21.434 8.592 565 HB3 GLU 77 2HB GLU 77 -10.902 20.964 7.510 566 HG2 GLU 77 1HG GLU 77 -11.858 22.855 8.219 567 HG3 GLU 77 2HG GLU 77 -12.314 21.887 9.620 568 H ASP 78 H ASP 78 -12.780 20.191 10.894 569 HA ASP 78 HA ASP 78 -11.429 21.398 13.072 570 HB2 ASP 78 1HB ASP 78 -13.971 21.404 12.394 571 HB3 ASP 78 2HB ASP 78 -14.043 19.987 13.437 572 H GLU 79 H GLU 79 -12.257 18.091 12.280 573 HA GLU 79 HA GLU 79 -11.363 17.147 14.892 574 HB2 GLU 79 1HB GLU 79 -12.287 15.443 12.585 575 HB3 GLU 79 2HB GLU 79 -12.242 15.023 14.291 576 HG2 GLU 79 1HG GLU 79 -13.896 17.120 14.406 577 HG3 GLU 79 2HG GLU 79 -14.239 16.569 12.767 578 H GLY 80 H GLY 80 -10.198 17.558 11.690 579 HA2 GLY 80 1HA GLY 80 -8.031 17.315 10.909 580 HA3 GLY 80 2HA GLY 80 -7.587 16.618 12.461 581 H LYS 81 H LYS 81 -10.278 15.316 10.706 582 HA LYS 81 HA LYS 81 -8.831 12.807 10.393 583 HB2 LYS 81 1HB LYS 81 -11.743 13.409 9.854 584 HB3 LYS 81 2HB LYS 81 -11.003 11.816 9.947 585 HG2 LYS 81 1HG LYS 81 -10.952 13.709 12.271 586 HG3 LYS 81 2HG LYS 81 -12.325 12.642 11.967 587 HD2 LYS 81 1HD LYS 81 -11.121 11.264 13.317 588 HD3 LYS 81 2HD LYS 81 -10.363 10.845 11.779 589 HE2 LYS 81 1HE LYS 81 -8.801 12.886 12.418 590 HE3 LYS 81 2HE LYS 81 -9.313 12.453 14.048 591 HZ1 LYS 81 3HZ LYS 81 -7.343 11.259 13.604 592 HZ2 LYS 81 1HZ LYS 81 -7.890 10.747 12.087 593 HZ3 LYS 81 2HZ LYS 81 -8.600 10.132 13.493 594 H LEU 82 H LEU 82 -9.980 15.452 8.502 595 HA LEU 82 HA LEU 82 -10.342 14.343 6.002 596 HB2 LEU 82 1HB LEU 82 -10.388 16.837 6.944 597 HB3 LEU 82 2HB LEU 82 -8.816 16.880 6.148 598 HG LEU 82 HG LEU 82 -11.114 15.872 4.566 599 HD11 LEU 82 1HD1 LEU 82 -12.160 17.877 4.243 600 HD12 LEU 82 2HD1 LEU 82 -10.742 18.819 4.701 601 HD13 LEU 82 3HD1 LEU 82 -11.717 18.033 5.943 602 HD21 LEU 82 3HD2 LEU 82 -9.910 16.707 2.761 603 HD22 LEU 82 1HD2 LEU 82 -8.650 16.136 3.856 604 HD23 LEU 82 2HD2 LEU 82 -9.021 17.858 3.759 605 H ASP 83 H ASP 83 -7.338 15.132 7.659 606 HA ASP 83 HA ASP 83 -5.530 14.882 5.573 607 HB2 ASP 83 1HB ASP 83 -5.126 15.540 8.035 608 HB3 ASP 83 2HB ASP 83 -4.946 13.812 8.325 609 H SER 84 H SER 84 -7.035 12.375 7.549 610 HA SER 84 HA SER 84 -5.530 10.255 6.304 611 HB2 SER 84 1HB SER 84 -6.534 10.318 8.706 612 HB3 SER 84 2HB SER 84 -8.031 9.824 7.915 613 HG SER 84 HG SER 84 -5.622 8.432 8.211 614 H LEU 85 H LEU 85 -8.574 11.850 5.817 615 HA LEU 85 HA LEU 85 -9.828 9.844 4.255 616 HB2 LEU 85 1HB LEU 85 -10.284 12.686 4.882 617 HB3 LEU 85 2HB LEU 85 -10.957 12.127 3.352 618 HG LEU 85 HG LEU 85 -12.550 12.085 5.271 619 HD11 LEU 85 1HD1 LEU 85 -13.545 10.626 3.931 620 HD12 LEU 85 2HD1 LEU 85 -12.713 9.334 4.795 621 HD13 LEU 85 3HD1 LEU 85 -11.992 10.029 3.344 622 HD21 LEU 85 3HD2 LEU 85 -11.340 9.605 6.310 623 HD22 LEU 85 1HD2 LEU 85 -12.210 10.887 7.152 624 HD23 LEU 85 2HD2 LEU 85 -10.511 11.106 6.730 625 H LEU 86 H LEU 86 -7.703 12.544 3.491 626 HA LEU 86 HA LEU 86 -7.939 12.132 0.641 627 HB2 LEU 86 1HB LEU 86 -6.237 13.894 0.479 628 HB3 LEU 86 2HB LEU 86 -7.623 14.375 1.455 629 HG LEU 86 HG LEU 86 -6.081 13.623 3.445 630 HD11 LEU 86 1HD1 LEU 86 -4.240 13.818 1.130 631 HD12 LEU 86 2HD1 LEU 86 -4.155 12.800 2.567 632 HD13 LEU 86 3HD1 LEU 86 -3.702 14.501 2.665 633 HD21 LEU 86 3HD2 LEU 86 -6.630 16.084 2.118 634 HD22 LEU 86 1HD2 LEU 86 -4.968 16.114 2.706 635 HD23 LEU 86 2HD2 LEU 86 -6.293 15.798 3.826 636 H LYS 87 H LYS 87 -5.945 11.017 3.217 637 HA LYS 87 HA LYS 87 -3.762 10.195 1.506 638 HB2 LYS 87 1HB LYS 87 -4.348 10.125 4.420 639 HB3 LYS 87 2HB LYS 87 -3.232 8.917 3.798 640 HG2 LYS 87 1HG LYS 87 -2.123 11.022 2.665 641 HG3 LYS 87 2HG LYS 87 -2.928 11.864 3.991 642 HD2 LYS 87 1HD LYS 87 -1.812 9.764 5.302 643 HD3 LYS 87 2HD LYS 87 -0.623 10.038 4.027 644 HE2 LYS 87 1HE LYS 87 -1.648 12.398 5.514 645 HE3 LYS 87 2HE LYS 87 -0.525 11.322 6.346 646 HZ1 LYS 87 3HZ LYS 87 0.599 11.707 3.888 647 HZ2 LYS 87 1HZ LYS 87 1.071 12.459 5.328 648 HZ3 LYS 87 2HZ LYS 87 -0.013 13.233 4.285 649 H THR 88 H THR 88 -6.452 8.677 3.225 650 HA THR 88 HA THR 88 -5.740 6.058 2.166 651 HB THR 88 HB THR 88 -7.429 5.144 3.570 652 HG1 THR 88 HG1 THR 88 -8.317 7.816 4.032 653 HG21 THR 88 3HG2 THR 88 -5.370 6.737 4.581 654 HG22 THR 88 1HG2 THR 88 -6.239 5.461 5.431 655 HG23 THR 88 2HG2 THR 88 -6.782 7.135 5.559 656 H GLY 89 H GLY 89 -8.257 8.511 1.827 657 HA2 GLY 89 1HA GLY 89 -9.549 8.923 -0.071 658 HA3 GLY 89 2HA GLY 89 -8.952 7.426 -0.772 659 H LYS 90 H LYS 90 -10.161 7.230 2.430 660 HA LYS 90 HA LYS 90 -12.863 6.563 1.603 661 HB2 LYS 90 1HB LYS 90 -10.964 4.525 2.766 662 HB3 LYS 90 2HB LYS 90 -12.711 4.319 2.753 663 HG2 LYS 90 1HG LYS 90 -12.227 3.202 0.850 664 HG3 LYS 90 2HG LYS 90 -12.354 4.825 0.167 665 HD2 LYS 90 1HD LYS 90 -10.338 4.254 -0.712 666 HD3 LYS 90 2HD LYS 90 -9.773 4.866 0.845 667 HE2 LYS 90 1HE LYS 90 -9.709 2.616 1.739 668 HE3 LYS 90 2HE LYS 90 -10.383 1.973 0.243 669 HZ1 LYS 90 3HZ LYS 90 -7.672 2.786 0.849 670 HZ2 LYS 90 1HZ LYS 90 -8.240 3.286 -0.665 671 HZ3 LYS 90 2HZ LYS 90 -8.238 1.643 -0.263 672 H LEU 91 H LEU 91 -14.228 5.964 3.522 673 HA LEU 91 HA LEU 91 -13.526 7.722 5.738 674 HB2 LEU 91 1HB LEU 91 -15.796 7.727 6.311 675 HB3 LEU 91 2HB LEU 91 -15.761 7.768 4.549 676 HG LEU 91 HG LEU 91 -16.016 5.138 4.877 677 HD11 LEU 91 1HD1 LEU 91 -16.964 4.431 6.802 678 HD12 LEU 91 2HD1 LEU 91 -17.803 5.956 7.081 679 HD13 LEU 91 3HD1 LEU 91 -16.089 5.810 7.467 680 HD21 LEU 91 3HD2 LEU 91 -17.695 5.885 3.595 681 HD22 LEU 91 1HD2 LEU 91 -17.875 7.372 4.526 682 HD23 LEU 91 2HD2 LEU 91 -18.631 5.882 5.090 683 H ILE 92 H ILE 92 -12.977 7.043 7.718 684 HA ILE 92 HA ILE 92 -12.142 4.457 8.244 685 HB ILE 92 HB ILE 92 -12.086 5.073 10.614 686 HG12 ILE 92 1HG1 ILE 92 -12.805 7.639 10.914 687 HG13 ILE 92 2HG1 ILE 92 -13.958 7.180 9.666 688 HG21 ILE 92 1HG2 ILE 92 -10.610 7.013 10.420 689 HG22 ILE 92 2HG2 ILE 92 -10.300 5.838 9.143 690 HG23 ILE 92 3HG2 ILE 92 -11.209 7.306 8.788 691 HD11 ILE 92 3HD1 ILE 92 -13.718 5.355 11.970 692 HD12 ILE 92 1HD1 ILE 92 -14.445 6.933 12.274 693 HD13 ILE 92 2HD1 ILE 92 -15.141 5.860 11.058 Start of MODEL 2 1 H1 GLY 1 H GLY 1 6.792 3.843 1.201 2 HA2 GLY 1 1HA GLY 1 7.197 2.643 -0.807 3 HA3 GLY 1 2HA GLY 1 5.713 1.740 -0.535 4 HA PRO 2 HA PRO 2 5.056 5.145 -3.706 5 HB2 PRO 2 1HB PRO 2 4.334 3.511 -5.750 6 HB3 PRO 2 2HB PRO 2 6.010 3.975 -5.438 7 HG2 PRO 2 1HG PRO 2 4.573 1.455 -4.700 8 HG3 PRO 2 2HG PRO 2 6.208 1.659 -5.355 9 HD2 PRO 2 1HD PRO 2 5.737 1.225 -2.724 10 HD3 PRO 2 2HD PRO 2 7.099 2.207 -3.301 11 H GLY 3 H GLY 3 3.049 5.931 -4.329 12 HA2 GLY 3 1HA GLY 3 0.719 5.775 -4.733 13 HA3 GLY 3 2HA GLY 3 0.701 4.234 -3.888 14 H SER 4 H SER 4 -0.605 4.423 -2.194 15 HA SER 4 HA SER 4 -1.565 5.190 -0.279 16 HB2 SER 4 1HB SER 4 0.885 5.098 0.409 17 HB3 SER 4 2HB SER 4 0.935 6.837 0.122 18 HG SER 4 HG SER 4 0.251 5.719 2.324 19 H MET 5 H MET 5 -2.177 6.578 -2.667 20 HA MET 5 HA MET 5 -3.089 9.087 -1.517 21 HB2 MET 5 1HB MET 5 -0.814 9.310 -2.841 22 HB3 MET 5 2HB MET 5 -1.877 9.267 -4.242 23 HG2 MET 5 1HG MET 5 -1.765 11.510 -3.889 24 HG3 MET 5 2HG MET 5 -3.178 11.114 -2.914 25 HE1 MET 5 3HE MET 5 -2.146 13.787 -0.840 26 HE2 MET 5 1HE MET 5 -0.803 13.972 -1.969 27 HE3 MET 5 2HE MET 5 -2.404 13.536 -2.567 28 H VAL 6 H VAL 6 -4.858 10.030 -2.663 29 HA VAL 6 HA VAL 6 -6.090 8.273 -4.680 30 HB VAL 6 HB VAL 6 -8.320 8.904 -3.650 31 HG11 VAL 6 1HG1 VAL 6 -8.235 6.820 -2.893 32 HG12 VAL 6 2HG1 VAL 6 -6.474 6.865 -2.996 33 HG13 VAL 6 3HG1 VAL 6 -7.284 7.342 -1.503 34 HG21 VAL 6 3HG2 VAL 6 -7.084 9.273 -1.019 35 HG22 VAL 6 1HG2 VAL 6 -6.843 10.619 -2.133 36 HG23 VAL 6 2HG2 VAL 6 -8.476 10.078 -1.743 37 H ASP 7 H ASP 7 -7.417 9.288 -6.213 38 HA ASP 7 HA ASP 7 -6.647 11.961 -6.867 39 HB2 ASP 7 1HB ASP 7 -8.690 10.105 -8.102 40 HB3 ASP 7 2HB ASP 7 -8.244 11.671 -8.773 41 H VAL 8 H VAL 8 -7.527 13.772 -6.141 42 HA VAL 8 HA VAL 8 -10.241 13.668 -5.006 43 HB VAL 8 HB VAL 8 -8.059 15.700 -4.515 44 HG11 VAL 8 1HG1 VAL 8 -9.549 16.480 -2.698 45 HG12 VAL 8 2HG1 VAL 8 -10.239 16.713 -4.305 46 HG13 VAL 8 3HG1 VAL 8 -10.796 15.383 -3.290 47 HG21 VAL 8 3HG2 VAL 8 -7.723 13.364 -3.585 48 HG22 VAL 8 1HG2 VAL 8 -7.698 14.684 -2.415 49 HG23 VAL 8 2HG2 VAL 8 -9.133 13.671 -2.572 50 H ILE 9 H ILE 9 -11.833 14.956 -5.768 51 HA ILE 9 HA ILE 9 -11.137 16.931 -7.836 52 HB ILE 9 HB ILE 9 -13.564 15.146 -7.977 53 HG12 ILE 9 1HG1 ILE 9 -10.957 14.920 -9.497 54 HG13 ILE 9 2HG1 ILE 9 -11.506 13.817 -8.241 55 HG21 ILE 9 1HG2 ILE 9 -13.779 17.314 -9.085 56 HG22 ILE 9 2HG2 ILE 9 -12.309 16.993 -10.003 57 HG23 ILE 9 3HG2 ILE 9 -13.741 15.996 -10.257 58 HD11 ILE 9 3HD1 ILE 9 -13.578 13.936 -10.117 59 HD12 ILE 9 1HD1 ILE 9 -12.081 13.812 -11.041 60 HD13 ILE 9 2HD1 ILE 9 -12.464 12.603 -9.816 61 H ILE 10 H ILE 10 -12.081 18.868 -7.619 62 HA ILE 10 HA ILE 10 -14.221 19.125 -5.608 63 HB ILE 10 HB ILE 10 -12.107 20.215 -4.944 64 HG12 ILE 10 1HG1 ILE 10 -13.893 22.516 -5.518 65 HG13 ILE 10 2HG1 ILE 10 -14.607 21.160 -4.651 66 HG21 ILE 10 1HG2 ILE 10 -11.303 22.175 -6.145 67 HG22 ILE 10 2HG2 ILE 10 -11.281 20.750 -7.183 68 HG23 ILE 10 3HG2 ILE 10 -12.557 21.954 -7.365 69 HD11 ILE 10 3HD1 ILE 10 -12.331 22.919 -3.821 70 HD12 ILE 10 1HD1 ILE 10 -13.860 22.622 -2.994 71 HD13 ILE 10 2HD1 ILE 10 -12.632 21.357 -3.061 72 H TYR 11 H TYR 11 -16.072 20.136 -6.159 73 HA TYR 11 HA TYR 11 -16.263 21.166 -8.910 74 HB2 TYR 11 1HB TYR 11 -17.902 19.340 -7.399 75 HB3 TYR 11 2HB TYR 11 -18.855 20.735 -7.892 76 HD1 TYR 11 HD1 TYR 11 -16.055 19.036 -9.669 77 HD2 TYR 11 HD2 TYR 11 -20.208 19.960 -9.621 78 HE1 TYR 11 HE1 TYR 11 -16.289 18.073 -11.920 79 HE2 TYR 11 HE2 TYR 11 -20.454 18.998 -11.872 80 HH TYR 11 HH TYR 11 -18.214 17.031 -13.285 81 H THR 12 H THR 12 -16.489 23.281 -9.118 82 HA THR 12 HA THR 12 -17.960 24.774 -7.060 83 HB THR 12 HB THR 12 -16.358 26.549 -7.004 84 HG1 THR 12 HG1 THR 12 -14.367 26.285 -8.265 85 HG21 THR 12 3HG2 THR 12 -14.467 25.481 -5.983 86 HG22 THR 12 1HG2 THR 12 -14.781 23.980 -6.852 87 HG23 THR 12 2HG2 THR 12 -15.900 24.526 -5.603 88 H ARG 13 H ARG 13 -17.999 27.240 -7.995 89 HA ARG 13 HA ARG 13 -18.525 27.264 -10.849 90 HB2 ARG 13 1HB ARG 13 -20.786 27.517 -10.805 91 HB3 ARG 13 2HB ARG 13 -20.620 26.556 -9.342 92 HG2 ARG 13 1HG ARG 13 -20.368 28.928 -8.222 93 HG3 ARG 13 2HG ARG 13 -21.254 29.438 -9.660 94 HD2 ARG 13 1HD ARG 13 -22.712 27.290 -8.928 95 HD3 ARG 13 2HD ARG 13 -22.138 27.833 -7.351 96 HE ARG 13 HE ARG 13 -23.619 29.554 -7.491 97 HH11 ARG 13 1HH1 ARG 13 -22.918 28.446 -10.716 98 HH12 ARG 13 2HH1 ARG 13 -24.050 29.519 -11.471 99 HH21 ARG 13 1HH2 ARG 13 -25.113 30.971 -8.474 100 HH22 ARG 13 2HH2 ARG 13 -25.297 30.955 -10.195 101 HA PRO 14 HA PRO 14 -17.286 31.464 -10.580 102 HB2 PRO 14 1HB PRO 14 -18.864 32.670 -12.431 103 HB3 PRO 14 2HB PRO 14 -17.533 31.589 -12.861 104 HG2 PRO 14 1HG PRO 14 -20.467 31.014 -12.707 105 HG3 PRO 14 2HG PRO 14 -19.292 30.515 -13.938 106 HD2 PRO 14 1HD PRO 14 -20.129 28.857 -11.968 107 HD3 PRO 14 2HD PRO 14 -18.493 28.777 -12.653 108 H GLY 15 H GLY 15 -17.883 32.163 -8.535 109 HA2 GLY 15 1HA GLY 15 -19.038 34.149 -7.640 110 HA3 GLY 15 2HA GLY 15 -20.500 33.529 -8.392 111 H CYS 16 H CYS 16 -18.532 31.124 -7.017 112 HA CYS 16 HA CYS 16 -20.458 30.796 -4.840 113 HB2 CYS 16 1HB CYS 16 -20.083 28.851 -6.262 114 HB3 CYS 16 2HB CYS 16 -18.355 28.915 -5.932 115 HA PRO 17 HA PRO 17 -17.290 32.615 -2.215 116 HB2 PRO 17 1HB PRO 17 -18.902 32.840 -0.042 117 HB3 PRO 17 2HB PRO 17 -18.937 33.987 -1.387 118 HG2 PRO 17 1HG PRO 17 -20.756 31.679 -0.819 119 HG3 PRO 17 2HG PRO 17 -21.163 33.314 -1.371 120 HD2 PRO 17 1HD PRO 17 -21.042 31.197 -3.054 121 HD3 PRO 17 2HD PRO 17 -20.622 32.845 -3.562 122 H TYR 18 H TYR 18 -19.573 30.173 -0.961 123 HA TYR 18 HA TYR 18 -17.962 29.196 1.090 124 HB2 TYR 18 1HB TYR 18 -20.087 27.809 -0.549 125 HB3 TYR 18 2HB TYR 18 -19.354 27.110 0.890 126 HD1 TYR 18 HD1 TYR 18 -19.477 28.599 3.047 127 HD2 TYR 18 HD2 TYR 18 -22.023 29.061 -0.330 128 HE1 TYR 18 HE1 TYR 18 -21.125 29.761 4.456 129 HE2 TYR 18 HE2 TYR 18 -23.677 30.226 1.069 130 HH TYR 18 HH TYR 18 -24.293 30.644 3.229 131 H CYS 19 H CYS 19 -17.740 28.749 -2.312 132 HA CYS 19 HA CYS 19 -16.283 26.299 -2.293 133 HB2 CYS 19 1HB CYS 19 -16.590 28.469 -4.371 134 HB3 CYS 19 2HB CYS 19 -15.675 26.992 -4.651 135 H ALA 20 H ALA 20 -15.307 29.699 -2.694 136 HA ALA 20 HA ALA 20 -12.592 29.385 -2.993 137 HB1 ALA 20 1HB ALA 20 -12.907 31.623 -1.323 138 HB2 ALA 20 2HB ALA 20 -12.791 31.593 -3.083 139 HB3 ALA 20 3HB ALA 20 -14.371 31.520 -2.302 140 H ARG 21 H ARG 21 -14.382 29.694 0.070 141 HA ARG 21 HA ARG 21 -12.203 29.525 1.799 142 HB2 ARG 21 1HB ARG 21 -15.124 28.990 2.037 143 HB3 ARG 21 2HB ARG 21 -14.076 28.408 3.324 144 HG2 ARG 21 1HG ARG 21 -14.176 31.261 2.369 145 HG3 ARG 21 2HG ARG 21 -15.058 30.634 3.764 146 HD2 ARG 21 1HD ARG 21 -13.215 30.564 5.058 147 HD3 ARG 21 2HD ARG 21 -12.181 30.032 3.732 148 HE ARG 21 HE ARG 21 -11.609 32.214 3.354 149 HH11 ARG 21 1HH1 ARG 21 -14.461 32.116 5.347 150 HH12 ARG 21 2HH1 ARG 21 -14.462 33.821 5.656 151 HH21 ARG 21 1HH2 ARG 21 -11.599 34.460 3.753 152 HH22 ARG 21 2HH2 ARG 21 -12.835 35.153 4.748 153 H ALA 22 H ALA 22 -14.340 26.923 0.639 154 HA ALA 22 HA ALA 22 -13.146 24.790 1.950 155 HB1 ALA 22 1HB ALA 22 -14.320 23.385 0.516 156 HB2 ALA 22 2HB ALA 22 -15.282 24.864 0.515 157 HB3 ALA 22 3HB ALA 22 -14.207 24.509 -0.838 158 H LYS 23 H LYS 23 -12.483 25.936 -1.364 159 HA LYS 23 HA LYS 23 -10.444 24.189 -2.012 160 HB2 LYS 23 1HB LYS 23 -10.596 27.104 -2.798 161 HB3 LYS 23 2HB LYS 23 -9.720 25.839 -3.648 162 HG2 LYS 23 1HG LYS 23 -12.336 24.905 -3.481 163 HG3 LYS 23 2HG LYS 23 -12.483 26.623 -3.859 164 HD2 LYS 23 1HD LYS 23 -10.755 24.659 -5.365 165 HD3 LYS 23 2HD LYS 23 -12.356 25.198 -5.877 166 HE2 LYS 23 1HE LYS 23 -10.995 27.552 -5.380 167 HE3 LYS 23 2HE LYS 23 -9.775 26.515 -6.118 168 HZ1 LYS 23 3HZ LYS 23 -12.116 26.206 -7.585 169 HZ2 LYS 23 1HZ LYS 23 -10.681 26.958 -8.072 170 HZ3 LYS 23 2HZ LYS 23 -11.911 27.869 -7.353 171 H ALA 24 H ALA 24 -10.210 27.319 -0.354 172 HA ALA 24 HA ALA 24 -7.406 27.358 -0.111 173 HB1 ALA 24 1HB ALA 24 -7.689 29.279 1.054 174 HB2 ALA 24 2HB ALA 24 -9.312 29.165 0.373 175 HB3 ALA 24 3HB ALA 24 -9.010 28.628 2.025 176 H LEU 25 H LEU 25 -9.930 25.921 1.863 177 HA LEU 25 HA LEU 25 -8.344 25.335 4.125 178 HB2 LEU 25 1HB LEU 25 -10.927 25.268 3.764 179 HB3 LEU 25 2HB LEU 25 -10.625 23.599 3.285 180 HG LEU 25 HG LEU 25 -11.337 23.773 5.620 181 HD11 LEU 25 1HD1 LEU 25 -8.513 23.006 5.944 182 HD12 LEU 25 2HD1 LEU 25 -9.379 22.212 4.628 183 HD13 LEU 25 3HD1 LEU 25 -9.987 22.096 6.279 184 HD21 LEU 25 3HD2 LEU 25 -10.357 26.027 6.017 185 HD22 LEU 25 1HD2 LEU 25 -8.765 25.271 6.090 186 HD23 LEU 25 2HD2 LEU 25 -9.994 24.854 7.284 187 H LEU 26 H LEU 26 -9.214 23.407 1.273 188 HA LEU 26 HA LEU 26 -7.735 21.113 2.086 189 HB2 LEU 26 1HB LEU 26 -9.343 21.939 -0.192 190 HB3 LEU 26 2HB LEU 26 -7.952 20.965 -0.663 191 HG LEU 26 HG LEU 26 -10.106 20.151 1.288 192 HD11 LEU 26 1HD1 LEU 26 -10.796 20.246 -1.098 193 HD12 LEU 26 2HD1 LEU 26 -10.840 18.625 -0.405 194 HD13 LEU 26 3HD1 LEU 26 -9.514 19.093 -1.470 195 HD21 LEU 26 3HD2 LEU 26 -8.976 17.902 1.025 196 HD22 LEU 26 1HD2 LEU 26 -8.106 19.103 1.980 197 HD23 LEU 26 2HD2 LEU 26 -7.614 18.773 0.319 198 H ALA 27 H ALA 27 -7.037 23.917 0.081 199 HA ALA 27 HA ALA 27 -4.528 22.943 -0.878 200 HB1 ALA 27 1HB ALA 27 -5.277 25.843 -0.751 201 HB2 ALA 27 2HB ALA 27 -4.283 25.003 -1.943 202 HB3 ALA 27 3HB ALA 27 -6.028 24.750 -1.914 203 H ARG 28 H ARG 28 -5.591 24.598 1.974 204 HA ARG 28 HA ARG 28 -3.320 25.906 2.826 205 HB2 ARG 28 1HB ARG 28 -5.499 25.965 3.994 206 HB3 ARG 28 2HB ARG 28 -5.231 24.318 4.549 207 HG2 ARG 28 1HG ARG 28 -3.115 25.201 5.649 208 HG3 ARG 28 2HG ARG 28 -3.763 26.812 5.335 209 HD2 ARG 28 1HD ARG 28 -5.770 26.260 6.608 210 HD3 ARG 28 2HD ARG 28 -5.147 24.636 6.900 211 HE ARG 28 HE ARG 28 -3.215 26.323 7.861 212 HH11 ARG 28 1HH1 ARG 28 -6.607 25.823 8.462 213 HH12 ARG 28 2HH1 ARG 28 -6.521 26.321 10.119 214 HH21 ARG 28 1HH2 ARG 28 -3.088 26.980 10.042 215 HH22 ARG 28 2HH2 ARG 28 -4.518 26.979 11.017 216 H LYS 29 H LYS 29 -4.198 22.513 3.465 217 HA LYS 29 HA LYS 29 -1.715 21.913 4.739 218 HB2 LYS 29 1HB LYS 29 -2.500 19.679 4.884 219 HB3 LYS 29 2HB LYS 29 -3.912 20.705 5.097 220 HG2 LYS 29 1HG LYS 29 -4.132 20.360 2.494 221 HG3 LYS 29 2HG LYS 29 -3.190 18.909 2.845 222 HD2 LYS 29 1HD LYS 29 -5.798 19.681 4.154 223 HD3 LYS 29 2HD LYS 29 -5.595 18.453 2.902 224 HE2 LYS 29 1HE LYS 29 -4.502 18.422 5.709 225 HE3 LYS 29 2HE LYS 29 -5.706 17.339 5.011 226 HZ1 LYS 29 3HZ LYS 29 -3.566 17.068 3.361 227 HZ2 LYS 29 1HZ LYS 29 -3.995 16.000 4.601 228 HZ3 LYS 29 2HZ LYS 29 -2.846 17.208 4.885 229 H GLY 30 H GLY 30 -2.695 22.184 1.488 230 HA2 GLY 30 1HA GLY 30 -1.076 22.224 -0.268 231 HA3 GLY 30 2HA GLY 30 -0.114 21.065 0.637 232 H ALA 31 H ALA 31 -3.354 20.212 0.718 233 HA ALA 31 HA ALA 31 -2.923 17.883 -0.858 234 HB1 ALA 31 1HB ALA 31 -5.649 18.839 -0.081 235 HB2 ALA 31 2HB ALA 31 -5.025 17.191 -0.177 236 HB3 ALA 31 3HB ALA 31 -4.526 18.248 1.144 237 H GLU 32 H GLU 32 -2.867 17.839 -3.001 238 HA GLU 32 HA GLU 32 -3.976 19.939 -4.603 239 HB2 GLU 32 1HB GLU 32 -2.423 17.448 -5.112 240 HB3 GLU 32 2HB GLU 32 -3.328 18.139 -6.452 241 HG2 GLU 32 1HG GLU 32 -1.253 19.577 -4.813 242 HG3 GLU 32 2HG GLU 32 -1.011 18.901 -6.422 243 H PHE 33 H PHE 33 -5.694 19.843 -6.041 244 HA PHE 33 HA PHE 33 -7.325 17.455 -6.192 245 HB2 PHE 33 1HB PHE 33 -9.387 18.715 -5.476 246 HB3 PHE 33 2HB PHE 33 -8.246 18.367 -4.181 247 HD1 PHE 33 HD2 PHE 33 -9.354 21.026 -6.514 248 HD2 PHE 33 HD1 PHE 33 -7.371 20.084 -2.867 249 HE1 PHE 33 HE2 PHE 33 -9.291 23.416 -5.934 250 HE2 PHE 33 HE1 PHE 33 -7.306 22.472 -2.281 251 HZ PHE 33 HZ PHE 33 -8.266 24.142 -3.816 252 H ASN 34 H ASN 34 -8.639 17.399 -7.987 253 HA ASN 34 HA ASN 34 -7.968 19.189 -10.105 254 HB2 ASN 34 1HB ASN 34 -8.546 16.719 -10.326 255 HB3 ASN 34 2HB ASN 34 -10.230 17.191 -10.115 256 HD21 ASN 34 2HD2 ASN 34 -9.162 15.912 -12.389 257 HD22 ASN 34 1HD2 ASN 34 -9.333 16.986 -13.732 258 H GLU 35 H GLU 35 -8.810 21.130 -10.429 259 HA GLU 35 HA GLU 35 -11.286 21.895 -9.133 260 HB2 GLU 35 1HB GLU 35 -9.374 23.433 -9.120 261 HB3 GLU 35 2HB GLU 35 -9.401 23.491 -10.876 262 HG2 GLU 35 1HG GLU 35 -11.833 24.317 -10.567 263 HG3 GLU 35 2HG GLU 35 -11.319 24.675 -8.920 264 H ILE 36 H ILE 36 -13.150 21.412 -10.079 265 HA ILE 36 HA ILE 36 -13.378 21.799 -12.991 266 HB ILE 36 HB ILE 36 -14.858 19.694 -11.414 267 HG12 ILE 36 1HG1 ILE 36 -12.493 19.367 -13.274 268 HG13 ILE 36 2HG1 ILE 36 -12.438 19.207 -11.522 269 HG21 ILE 36 1HG2 ILE 36 -14.651 20.267 -14.365 270 HG22 ILE 36 2HG2 ILE 36 -15.398 18.826 -13.677 271 HG23 ILE 36 3HG2 ILE 36 -16.084 20.417 -13.348 272 HD11 ILE 36 3HD1 ILE 36 -13.525 17.364 -13.567 273 HD12 ILE 36 1HD1 ILE 36 -12.609 17.022 -12.100 274 HD13 ILE 36 2HD1 ILE 36 -14.325 17.418 -11.997 275 H ASP 37 H ASP 37 -15.359 22.586 -13.763 276 HA ASP 37 HA ASP 37 -16.858 24.119 -11.787 277 HB2 ASP 37 1HB ASP 37 -16.690 24.211 -14.794 278 HB3 ASP 37 2HB ASP 37 -17.922 25.103 -13.906 279 H ALA 38 H ALA 38 -19.119 24.050 -11.602 280 HA ALA 38 HA ALA 38 -20.318 21.536 -12.560 281 HB1 ALA 38 1HB ALA 38 -21.547 21.374 -10.612 282 HB2 ALA 38 2HB ALA 38 -20.031 22.064 -10.032 283 HB3 ALA 38 3HB ALA 38 -21.437 23.101 -10.274 284 H SER 39 H SER 39 -20.883 24.992 -12.103 285 HA SER 39 HA SER 39 -23.483 24.888 -13.353 286 HB2 SER 39 1HB SER 39 -21.883 27.379 -12.771 287 HB3 SER 39 2HB SER 39 -23.634 27.215 -12.900 288 HG SER 39 HG SER 39 -22.311 25.704 -10.959 289 H ALA 40 H ALA 40 -20.479 24.608 -14.561 290 HA ALA 40 HA ALA 40 -20.417 26.428 -16.716 291 HB1 ALA 40 1HB ALA 40 -19.131 23.705 -16.551 292 HB2 ALA 40 2HB ALA 40 -18.682 25.017 -17.642 293 HB3 ALA 40 3HB ALA 40 -18.446 25.195 -15.903 294 H THR 41 H THR 41 -21.705 23.151 -16.401 295 HA THR 41 HA THR 41 -23.110 23.544 -18.959 296 HB THR 41 HB THR 41 -22.907 20.847 -18.891 297 HG1 THR 41 HG1 THR 41 -20.413 21.824 -17.912 298 HG21 THR 41 3HG2 THR 41 -21.378 21.039 -20.688 299 HG22 THR 41 1HG2 THR 41 -20.719 22.551 -20.065 300 HG23 THR 41 2HG2 THR 41 -22.352 22.509 -20.731 301 HA PRO 42 HA PRO 42 -26.819 22.411 -16.904 302 HB2 PRO 42 1HB PRO 42 -28.122 20.989 -18.815 303 HB3 PRO 42 2HB PRO 42 -27.909 22.741 -18.900 304 HG2 PRO 42 1HG PRO 42 -26.352 20.575 -20.259 305 HG3 PRO 42 2HG PRO 42 -26.934 22.115 -20.917 306 HD2 PRO 42 1HD PRO 42 -24.372 21.745 -20.124 307 HD3 PRO 42 2HD PRO 42 -25.195 23.312 -19.990 308 H GLU 43 H GLU 43 -25.350 19.696 -18.680 309 HA GLU 43 HA GLU 43 -26.625 17.648 -17.228 310 HB2 GLU 43 1HB GLU 43 -24.243 17.812 -19.014 311 HB3 GLU 43 2HB GLU 43 -24.442 16.369 -18.029 312 HG2 GLU 43 1HG GLU 43 -26.693 16.065 -18.995 313 HG3 GLU 43 2HG GLU 43 -26.399 17.452 -20.042 314 H LEU 44 H LEU 44 -23.373 19.056 -16.887 315 HA LEU 44 HA LEU 44 -22.646 17.520 -14.631 316 HB2 LEU 44 1HB LEU 44 -21.638 20.111 -15.765 317 HB3 LEU 44 2HB LEU 44 -20.954 19.405 -14.303 318 HG LEU 44 HG LEU 44 -20.959 18.157 -17.051 319 HD11 LEU 44 1HD1 LEU 44 -18.773 18.783 -17.276 320 HD12 LEU 44 2HD1 LEU 44 -18.503 18.880 -15.537 321 HD13 LEU 44 3HD1 LEU 44 -19.393 20.158 -16.363 322 HD21 LEU 44 3HD2 LEU 44 -20.731 16.224 -15.971 323 HD22 LEU 44 1HD2 LEU 44 -20.596 17.030 -14.408 324 HD23 LEU 44 2HD2 LEU 44 -19.165 16.817 -15.416 325 H ARG 45 H ARG 45 -24.440 20.480 -15.016 326 HA ARG 45 HA ARG 45 -24.266 21.294 -12.278 327 HB2 ARG 45 1HB ARG 45 -24.696 22.915 -14.062 328 HB3 ARG 45 2HB ARG 45 -26.209 22.106 -14.447 329 HG2 ARG 45 1HG ARG 45 -26.828 22.605 -11.988 330 HG3 ARG 45 2HG ARG 45 -25.516 23.782 -12.073 331 HD2 ARG 45 1HD ARG 45 -27.791 23.675 -14.043 332 HD3 ARG 45 2HD ARG 45 -27.805 24.679 -12.594 333 HE ARG 45 HE ARG 45 -25.473 25.308 -13.908 334 HH11 ARG 45 1HH1 ARG 45 -28.877 25.389 -14.633 335 HH12 ARG 45 2HH1 ARG 45 -28.747 26.735 -15.716 336 HH21 ARG 45 1HH2 ARG 45 -25.289 27.080 -15.331 337 HH22 ARG 45 2HH2 ARG 45 -26.705 27.696 -16.113 338 H ALA 46 H ALA 46 -26.485 19.361 -14.187 339 HA ALA 46 HA ALA 46 -28.610 19.251 -12.341 340 HB1 ALA 46 1HB ALA 46 -28.933 16.937 -13.616 341 HB2 ALA 46 2HB ALA 46 -29.315 18.490 -14.361 342 HB3 ALA 46 3HB ALA 46 -27.783 17.692 -14.720 343 H GLU 47 H GLU 47 -26.008 16.893 -12.981 344 HA GLU 47 HA GLU 47 -26.623 15.046 -11.024 345 HB2 GLU 47 1HB GLU 47 -24.220 14.433 -11.067 346 HB3 GLU 47 2HB GLU 47 -24.916 14.602 -12.673 347 HG2 GLU 47 1HG GLU 47 -23.903 16.786 -12.916 348 HG3 GLU 47 2HG GLU 47 -23.264 16.694 -11.276 349 H MET 48 H MET 48 -25.035 18.147 -10.714 350 HA MET 48 HA MET 48 -23.991 17.802 -8.116 351 HB2 MET 48 1HB MET 48 -23.092 19.625 -9.236 352 HB3 MET 48 2HB MET 48 -24.658 20.170 -9.822 353 HG2 MET 48 1HG MET 48 -25.249 20.980 -7.637 354 HG3 MET 48 2HG MET 48 -23.767 20.315 -6.953 355 HE1 MET 48 3HE MET 48 -23.524 21.964 -10.549 356 HE2 MET 48 1HE MET 48 -25.043 22.533 -9.857 357 HE3 MET 48 2HE MET 48 -23.715 23.664 -10.116 358 H GLN 49 H GLN 49 -27.114 18.937 -9.303 359 HA GLN 49 HA GLN 49 -28.097 19.679 -6.723 360 HB2 GLN 49 1HB GLN 49 -29.812 19.019 -9.106 361 HB3 GLN 49 2HB GLN 49 -30.150 20.141 -7.795 362 HG2 GLN 49 1HG GLN 49 -28.055 21.394 -8.699 363 HG3 GLN 49 2HG GLN 49 -28.383 20.480 -10.170 364 HE21 GLN 49 2HE2 GLN 49 -28.480 23.245 -10.079 365 HE22 GLN 49 1HE2 GLN 49 -30.112 23.760 -10.316 366 H GLU 50 H GLU 50 -27.826 16.728 -8.452 367 HA GLU 50 HA GLU 50 -29.972 15.310 -7.264 368 HB2 GLU 50 1HB GLU 50 -28.718 14.631 -9.338 369 HB3 GLU 50 2HB GLU 50 -27.384 14.149 -8.299 370 HG2 GLU 50 1HG GLU 50 -28.610 12.196 -8.823 371 HG3 GLU 50 2HG GLU 50 -28.957 12.592 -7.141 372 H ARG 51 H ARG 51 -26.704 16.018 -6.264 373 HA ARG 51 HA ARG 51 -27.051 14.324 -3.886 374 HB2 ARG 51 1HB ARG 51 -24.499 15.611 -4.861 375 HB3 ARG 51 2HB ARG 51 -24.663 14.371 -3.625 376 HG2 ARG 51 1HG ARG 51 -25.243 12.725 -5.226 377 HG3 ARG 51 2HG ARG 51 -25.440 13.936 -6.495 378 HD2 ARG 51 1HD ARG 51 -23.261 13.920 -6.977 379 HD3 ARG 51 2HD ARG 51 -22.808 14.035 -5.277 380 HE ARG 51 HE ARG 51 -23.571 11.456 -5.534 381 HH11 ARG 51 1HH1 ARG 51 -21.357 13.477 -7.304 382 HH12 ARG 51 2HH1 ARG 51 -20.310 12.169 -7.744 383 HH21 ARG 51 1HH2 ARG 51 -22.200 9.725 -6.107 384 HH22 ARG 51 2HH2 ARG 51 -20.790 10.035 -7.063 385 H SER 52 H SER 52 -26.334 17.594 -4.965 386 HA SER 52 HA SER 52 -25.975 18.614 -2.299 387 HB2 SER 52 1HB SER 52 -24.807 19.662 -4.176 388 HB3 SER 52 2HB SER 52 -26.349 20.060 -4.933 389 HG SER 52 HG SER 52 -25.525 20.985 -2.380 390 H GLY 53 H GLY 53 -28.571 18.500 -4.674 391 HA2 GLY 53 1HA GLY 53 -30.815 18.946 -4.499 392 HA3 GLY 53 2HA GLY 53 -30.621 18.658 -2.776 393 H ARG 54 H ARG 54 -28.931 21.189 -4.513 394 HA ARG 54 HA ARG 54 -30.791 23.227 -3.615 395 HB2 ARG 54 1HB ARG 54 -27.953 23.066 -2.592 396 HB3 ARG 54 2HB ARG 54 -28.963 24.500 -2.463 397 HG2 ARG 54 1HG ARG 54 -29.635 21.817 -1.273 398 HG3 ARG 54 2HG ARG 54 -28.896 23.158 -0.395 399 HD2 ARG 54 1HD ARG 54 -30.852 24.550 -0.891 400 HD3 ARG 54 2HD ARG 54 -31.589 23.200 -1.754 401 HE ARG 54 HE ARG 54 -32.178 22.279 0.259 402 HH11 ARG 54 1HH1 ARG 54 -29.804 24.769 0.790 403 HH12 ARG 54 2HH1 ARG 54 -29.963 24.734 2.514 404 HH21 ARG 54 1HH2 ARG 54 -32.396 22.223 2.528 405 HH22 ARG 54 2HH2 ARG 54 -31.437 23.285 3.503 406 H ASN 55 H ASN 55 -29.751 25.486 -4.169 407 HA ASN 55 HA ASN 55 -29.586 25.762 -6.876 408 HB2 ASN 55 1HB ASN 55 -28.143 27.885 -6.253 409 HB3 ASN 55 2HB ASN 55 -29.844 27.788 -5.807 410 HD21 ASN 55 2HD2 ASN 55 -26.647 28.076 -4.703 411 HD22 ASN 55 1HD2 ASN 55 -26.980 28.059 -3.007 412 H THR 56 H THR 56 -26.707 26.031 -4.787 413 HA THR 56 HA THR 56 -25.141 24.246 -6.336 414 HB THR 56 HB THR 56 -23.535 26.393 -6.863 415 HG1 THR 56 HG1 THR 56 -24.801 28.094 -6.794 416 HG21 THR 56 3HG2 THR 56 -25.150 26.040 -9.154 417 HG22 THR 56 1HG2 THR 56 -25.089 24.486 -8.324 418 HG23 THR 56 2HG2 THR 56 -23.594 25.292 -8.798 419 H PHE 57 H PHE 57 -23.436 23.582 -5.164 420 HA PHE 57 HA PHE 57 -22.293 25.331 -3.131 421 HB2 PHE 57 1HB PHE 57 -22.929 24.145 -1.309 422 HB3 PHE 57 2HB PHE 57 -24.245 23.614 -2.352 423 HD1 PHE 57 HD2 PHE 57 -23.552 21.529 -3.899 424 HD2 PHE 57 HD1 PHE 57 -21.820 22.525 -0.141 425 HE1 PHE 57 HE2 PHE 57 -22.835 19.193 -3.615 426 HE2 PHE 57 HE1 PHE 57 -21.098 20.190 0.149 427 HZ PHE 57 HZ PHE 57 -21.607 18.521 -1.589 428 HA PRO 58 HA PRO 58 -18.486 23.418 -4.169 429 HB2 PRO 58 1HB PRO 58 -17.214 23.272 -1.776 430 HB3 PRO 58 2HB PRO 58 -17.475 24.795 -2.633 431 HG2 PRO 58 1HG PRO 58 -19.022 23.613 -0.360 432 HG3 PRO 58 2HG PRO 58 -18.502 25.290 -0.607 433 HD2 PRO 58 1HD PRO 58 -21.025 24.455 -1.124 434 HD3 PRO 58 2HD PRO 58 -20.238 25.747 -2.053 435 H GLN 59 H GLN 59 -18.374 21.358 -4.807 436 HA GLN 59 HA GLN 59 -19.147 19.224 -2.967 437 HB2 GLN 59 1HB GLN 59 -19.122 19.573 -5.867 438 HB3 GLN 59 2HB GLN 59 -18.463 18.024 -5.361 439 HG2 GLN 59 1HG GLN 59 -20.527 17.262 -5.185 440 HG3 GLN 59 2HG GLN 59 -20.786 18.383 -3.849 441 HE21 GLN 59 2HE2 GLN 59 -20.710 20.787 -5.219 442 HE22 GLN 59 1HE2 GLN 59 -22.082 20.884 -6.264 443 H ILE 60 H ILE 60 -17.728 17.900 -2.019 444 HA ILE 60 HA ILE 60 -14.909 18.083 -2.859 445 HB ILE 60 HB ILE 60 -15.998 17.451 -0.113 446 HG12 ILE 60 1HG1 ILE 60 -16.268 19.806 -0.652 447 HG13 ILE 60 2HG1 ILE 60 -14.964 19.616 0.515 448 HG21 ILE 60 1HG2 ILE 60 -13.670 17.515 0.614 449 HG22 ILE 60 2HG2 ILE 60 -13.923 16.259 -0.597 450 HG23 ILE 60 3HG2 ILE 60 -13.151 17.778 -1.051 451 HD11 ILE 60 3HD1 ILE 60 -14.925 20.767 -2.125 452 HD12 ILE 60 1HD1 ILE 60 -13.728 20.862 -0.834 453 HD13 ILE 60 2HD1 ILE 60 -13.710 19.501 -1.955 454 H PHE 61 H PHE 61 -14.665 16.361 -4.188 455 HA PHE 61 HA PHE 61 -15.681 13.753 -3.340 456 HB2 PHE 61 1HB PHE 61 -14.340 14.496 -5.947 457 HB3 PHE 61 2HB PHE 61 -15.211 13.006 -5.594 458 HD1 PHE 61 HD2 PHE 61 -17.675 13.709 -4.462 459 HD2 PHE 61 HD1 PHE 61 -15.469 15.815 -7.432 460 HE1 PHE 61 HE2 PHE 61 -19.757 14.734 -5.278 461 HE2 PHE 61 HE1 PHE 61 -17.548 16.844 -8.251 462 HZ PHE 61 HZ PHE 61 -19.696 16.303 -7.175 463 H ILE 62 H ILE 62 -14.385 12.586 -2.092 464 HA ILE 62 HA ILE 62 -11.480 12.708 -2.577 465 HB ILE 62 HB ILE 62 -12.940 12.052 -0.016 466 HG12 ILE 62 1HG1 ILE 62 -11.196 14.398 -0.795 467 HG13 ILE 62 2HG1 ILE 62 -12.936 14.441 -0.538 468 HG21 ILE 62 1HG2 ILE 62 -10.703 11.942 0.997 469 HG22 ILE 62 2HG2 ILE 62 -10.941 10.697 -0.227 470 HG23 ILE 62 3HG2 ILE 62 -9.984 12.130 -0.602 471 HD11 ILE 62 3HD1 ILE 62 -12.318 13.559 1.833 472 HD12 ILE 62 1HD1 ILE 62 -10.731 14.224 1.448 473 HD13 ILE 62 2HD1 ILE 62 -12.151 15.271 1.445 474 H GLY 63 H GLY 63 -10.770 10.977 -3.629 475 HA2 GLY 63 1HA GLY 63 -10.396 8.780 -4.186 476 HA3 GLY 63 2HA GLY 63 -11.113 8.350 -2.640 477 H SER 64 H SER 64 -13.039 7.372 -2.636 478 HA SER 64 HA SER 64 -14.581 7.384 -5.149 479 HB2 SER 64 1HB SER 64 -14.499 5.101 -3.171 480 HB3 SER 64 2HB SER 64 -15.174 5.094 -4.800 481 HG SER 64 HG SER 64 -12.558 4.824 -3.963 482 H VAL 65 H VAL 65 -14.640 8.780 -2.329 483 HA VAL 65 HA VAL 65 -17.539 8.404 -1.940 484 HB VAL 65 HB VAL 65 -15.599 9.185 0.234 485 HG11 VAL 65 1HG1 VAL 65 -18.524 8.514 0.163 486 HG12 VAL 65 2HG1 VAL 65 -17.581 8.422 1.652 487 HG13 VAL 65 3HG1 VAL 65 -17.739 9.958 0.800 488 HG21 VAL 65 3HG2 VAL 65 -15.056 6.938 -0.436 489 HG22 VAL 65 1HG2 VAL 65 -15.931 6.881 1.094 490 HG23 VAL 65 2HG2 VAL 65 -16.758 6.476 -0.411 491 H HIS 66 H HIS 66 -18.750 10.257 -1.364 492 HA HIS 66 HA HIS 66 -17.495 12.767 -2.227 493 HB2 HIS 66 1HB HIS 66 -19.448 12.124 -3.524 494 HB3 HIS 66 2HB HIS 66 -20.409 11.975 -2.056 495 HD1 HIS 66 HD1 HIS 66 -22.082 13.756 -2.912 496 HD2 HIS 66 HD2 HIS 66 -18.192 15.145 -2.465 497 HE1 HIS 66 HE1 HIS 66 -22.243 16.262 -3.051 498 H VAL 67 H VAL 67 -16.603 13.656 -0.435 499 HA VAL 67 HA VAL 67 -17.517 13.508 2.178 500 HB VAL 67 HB VAL 67 -15.967 15.733 0.847 501 HG11 VAL 67 1HG1 VAL 67 -16.448 15.187 3.773 502 HG12 VAL 67 2HG1 VAL 67 -15.259 16.330 3.145 503 HG13 VAL 67 3HG1 VAL 67 -16.979 16.596 2.856 504 HG21 VAL 67 3HG2 VAL 67 -14.182 14.472 2.383 505 HG22 VAL 67 1HG2 VAL 67 -15.263 13.120 2.046 506 HG23 VAL 67 2HG2 VAL 67 -14.508 13.997 0.716 507 H GLY 68 H GLY 68 -17.639 16.592 0.422 508 HA2 GLY 68 1HA GLY 68 -20.348 17.049 0.349 509 HA3 GLY 68 2HA GLY 68 -19.864 17.492 1.979 510 H GLY 69 H GLY 69 -19.111 19.491 2.316 511 HA2 GLY 69 1HA GLY 69 -17.867 20.965 0.128 512 HA3 GLY 69 2HA GLY 69 -19.372 21.622 0.754 513 H CYS 70 H CYS 70 -18.313 23.520 1.429 514 HA CYS 70 HA CYS 70 -16.037 23.726 2.972 515 HB2 CYS 70 1HB CYS 70 -17.150 25.674 2.021 516 HB3 CYS 70 2HB CYS 70 -18.530 25.435 3.086 517 HG CYS 70 HG CYS 70 -15.967 27.302 3.594 518 H ASP 71 H ASP 71 -19.381 23.260 4.056 519 HA ASP 71 HA ASP 71 -18.944 23.393 6.805 520 HB2 ASP 71 1HB ASP 71 -21.149 23.143 5.371 521 HB3 ASP 71 2HB ASP 71 -20.922 21.432 5.720 522 H ASP 72 H ASP 72 -18.913 20.552 4.665 523 HA ASP 72 HA ASP 72 -18.277 18.676 6.670 524 HB2 ASP 72 1HB ASP 72 -17.890 18.642 3.676 525 HB3 ASP 72 2HB ASP 72 -17.498 17.267 4.706 526 H LEU 73 H LEU 73 -16.196 20.262 4.249 527 HA LEU 73 HA LEU 73 -13.771 19.172 5.041 528 HB2 LEU 73 1HB LEU 73 -14.497 20.836 3.093 529 HB3 LEU 73 2HB LEU 73 -13.812 22.018 4.206 530 HG LEU 73 HG LEU 73 -11.673 20.819 4.152 531 HD11 LEU 73 1HD1 LEU 73 -11.371 19.075 2.382 532 HD12 LEU 73 2HD1 LEU 73 -13.127 19.014 2.231 533 HD13 LEU 73 3HD1 LEU 73 -12.357 18.575 3.756 534 HD21 LEU 73 3HD2 LEU 73 -10.969 21.729 2.162 535 HD22 LEU 73 1HD2 LEU 73 -12.488 22.590 2.409 536 HD23 LEU 73 2HD2 LEU 73 -12.420 21.226 1.293 537 H TYR 74 H TYR 74 -15.462 22.025 6.264 538 HA TYR 74 HA TYR 74 -13.384 22.822 8.040 539 HB2 TYR 74 1HB TYR 74 -16.240 23.578 7.618 540 HB3 TYR 74 2HB TYR 74 -15.474 24.035 9.136 541 HD1 TYR 74 HD2 TYR 74 -13.891 23.873 5.781 542 HD2 TYR 74 HD1 TYR 74 -15.322 26.370 8.915 543 HE1 TYR 74 HE2 TYR 74 -12.882 25.826 4.678 544 HE2 TYR 74 HE1 TYR 74 -14.318 28.330 7.821 545 HH TYR 74 HH TYR 74 -12.026 28.285 5.710 546 H ALA 75 H ALA 75 -16.159 20.700 8.293 547 HA ALA 75 HA ALA 75 -16.050 20.430 11.139 548 HB1 ALA 75 1HB ALA 75 -18.144 19.902 10.424 549 HB2 ALA 75 2HB ALA 75 -17.569 19.157 8.932 550 HB3 ALA 75 3HB ALA 75 -17.448 18.282 10.458 551 H LEU 76 H LEU 76 -14.576 18.806 8.423 552 HA LEU 76 HA LEU 76 -13.673 16.542 9.948 553 HB2 LEU 76 1HB LEU 76 -13.270 17.545 7.170 554 HB3 LEU 76 2HB LEU 76 -12.159 16.337 7.812 555 HG LEU 76 HG LEU 76 -14.345 15.703 6.426 556 HD11 LEU 76 1HD1 LEU 76 -13.552 14.064 8.815 557 HD12 LEU 76 2HD1 LEU 76 -12.512 14.247 7.403 558 HD13 LEU 76 3HD1 LEU 76 -14.105 13.509 7.235 559 HD21 LEU 76 3HD2 LEU 76 -16.178 15.094 7.842 560 HD22 LEU 76 1HD2 LEU 76 -15.820 16.800 8.107 561 HD23 LEU 76 2HD2 LEU 76 -15.296 15.597 9.285 562 H GLU 77 H GLU 77 -12.104 19.401 8.519 563 HA GLU 77 HA GLU 77 -9.510 18.915 9.374 564 HB2 GLU 77 1HB GLU 77 -9.041 21.153 8.877 565 HB3 GLU 77 2HB GLU 77 -10.404 20.770 7.835 566 HG2 GLU 77 1HG GLU 77 -11.122 22.759 8.636 567 HG3 GLU 77 2HG GLU 77 -11.771 21.710 9.896 568 H ASP 78 H ASP 78 -12.268 20.082 11.148 569 HA ASP 78 HA ASP 78 -10.918 21.182 13.366 570 HB2 ASP 78 1HB ASP 78 -13.470 21.214 12.631 571 HB3 ASP 78 2HB ASP 78 -13.560 19.847 13.738 572 H GLU 79 H GLU 79 -11.602 17.922 12.425 573 HA GLU 79 HA GLU 79 -10.754 16.937 15.061 574 HB2 GLU 79 1HB GLU 79 -11.938 15.280 12.840 575 HB3 GLU 79 2HB GLU 79 -11.798 14.866 14.543 576 HG2 GLU 79 1HG GLU 79 -13.297 17.185 14.553 577 HG3 GLU 79 2HG GLU 79 -13.887 16.301 13.146 578 H GLY 80 H GLY 80 -9.789 17.252 11.782 579 HA2 GLY 80 1HA GLY 80 -7.645 16.921 10.930 580 HA3 GLY 80 2HA GLY 80 -7.220 16.060 12.402 581 H LYS 81 H LYS 81 -10.062 15.243 10.553 582 HA LYS 81 HA LYS 81 -8.972 12.586 10.095 583 HB2 LYS 81 1HB LYS 81 -11.732 13.699 9.559 584 HB3 LYS 81 2HB LYS 81 -11.265 12.012 9.394 585 HG2 LYS 81 1HG LYS 81 -10.950 13.455 11.998 586 HG3 LYS 81 2HG LYS 81 -12.493 12.741 11.523 587 HD2 LYS 81 1HD LYS 81 -11.616 10.952 12.619 588 HD3 LYS 81 2HD LYS 81 -10.911 10.653 11.028 589 HE2 LYS 81 1HE LYS 81 -8.814 11.240 11.697 590 HE3 LYS 81 2HE LYS 81 -9.400 12.403 12.885 591 HZ1 LYS 81 3HZ LYS 81 -9.451 9.447 13.175 592 HZ2 LYS 81 1HZ LYS 81 -10.046 10.552 14.310 593 HZ3 LYS 81 2HZ LYS 81 -8.391 10.504 13.963 594 H LEU 82 H LEU 82 -9.631 15.492 8.353 595 HA LEU 82 HA LEU 82 -10.005 14.618 5.765 596 HB2 LEU 82 1HB LEU 82 -9.008 17.037 7.055 597 HB3 LEU 82 2HB LEU 82 -8.338 16.781 5.445 598 HG LEU 82 HG LEU 82 -11.285 16.890 6.083 599 HD11 LEU 82 1HD1 LEU 82 -9.757 18.996 4.608 600 HD12 LEU 82 2HD1 LEU 82 -9.864 19.027 6.367 601 HD13 LEU 82 3HD1 LEU 82 -11.332 19.101 5.393 602 HD21 LEU 82 3HD2 LEU 82 -10.154 17.264 3.363 603 HD22 LEU 82 1HD2 LEU 82 -11.705 16.591 3.863 604 HD23 LEU 82 2HD2 LEU 82 -10.237 15.624 4.009 605 H ASP 83 H ASP 83 -6.992 14.919 7.577 606 HA ASP 83 HA ASP 83 -5.163 14.485 5.534 607 HB2 ASP 83 1HB ASP 83 -5.165 14.035 8.477 608 HB3 ASP 83 2HB ASP 83 -3.886 13.270 7.539 609 H SER 84 H SER 84 -6.892 12.118 7.531 610 HA SER 84 HA SER 84 -5.682 9.866 6.232 611 HB2 SER 84 1HB SER 84 -8.230 9.743 7.828 612 HB3 SER 84 2HB SER 84 -6.966 8.524 7.672 613 HG SER 84 HG SER 84 -5.605 10.219 8.746 614 H LEU 85 H LEU 85 -8.500 11.823 5.726 615 HA LEU 85 HA LEU 85 -9.995 10.016 4.147 616 HB2 LEU 85 1HB LEU 85 -10.053 12.878 4.783 617 HB3 LEU 85 2HB LEU 85 -10.708 12.470 3.198 618 HG LEU 85 HG LEU 85 -11.654 11.363 5.842 619 HD11 LEU 85 1HD1 LEU 85 -12.222 13.732 5.470 620 HD12 LEU 85 2HD1 LEU 85 -13.641 12.685 5.472 621 HD13 LEU 85 3HD1 LEU 85 -12.992 13.288 3.946 622 HD21 LEU 85 3HD2 LEU 85 -12.418 9.682 4.586 623 HD22 LEU 85 1HD2 LEU 85 -12.064 10.530 3.080 624 HD23 LEU 85 2HD2 LEU 85 -13.570 10.852 3.940 625 H LEU 86 H LEU 86 -7.607 12.501 3.331 626 HA LEU 86 HA LEU 86 -7.799 11.937 0.503 627 HB2 LEU 86 1HB LEU 86 -5.985 13.583 0.291 628 HB3 LEU 86 2HB LEU 86 -7.370 14.201 1.189 629 HG LEU 86 HG LEU 86 -5.890 13.427 3.256 630 HD11 LEU 86 1HD1 LEU 86 -4.038 13.528 0.958 631 HD12 LEU 86 2HD1 LEU 86 -3.937 12.613 2.463 632 HD13 LEU 86 3HD1 LEU 86 -3.504 14.322 2.440 633 HD21 LEU 86 3HD2 LEU 86 -5.987 15.610 3.638 634 HD22 LEU 86 1HD2 LEU 86 -6.507 15.848 1.969 635 HD23 LEU 86 2HD2 LEU 86 -4.792 15.923 2.378 636 H LYS 87 H LYS 87 -5.904 10.898 3.195 637 HA LYS 87 HA LYS 87 -3.703 9.888 1.649 638 HB2 LYS 87 1HB LYS 87 -4.520 9.848 4.508 639 HB3 LYS 87 2HB LYS 87 -3.426 8.582 3.968 640 HG2 LYS 87 1HG LYS 87 -2.146 10.660 2.928 641 HG3 LYS 87 2HG LYS 87 -2.974 11.496 4.244 642 HD2 LYS 87 1HD LYS 87 -1.037 10.859 5.299 643 HD3 LYS 87 2HD LYS 87 -2.073 9.477 5.664 644 HE2 LYS 87 1HE LYS 87 -0.462 9.404 3.166 645 HE3 LYS 87 2HE LYS 87 0.377 9.179 4.700 646 HZ1 LYS 87 3HZ LYS 87 -1.230 7.344 3.267 647 HZ2 LYS 87 1HZ LYS 87 -1.878 7.586 4.811 648 HZ3 LYS 87 2HZ LYS 87 -0.275 7.077 4.637 649 H THR 88 H THR 88 -6.480 8.434 3.325 650 HA THR 88 HA THR 88 -5.882 5.834 2.168 651 HB THR 88 HB THR 88 -7.592 4.937 3.555 652 HG1 THR 88 HG1 THR 88 -8.440 7.635 3.784 653 HG21 THR 88 3HG2 THR 88 -6.162 7.148 5.034 654 HG22 THR 88 1HG2 THR 88 -5.581 5.502 4.781 655 HG23 THR 88 2HG2 THR 88 -6.991 5.794 5.801 656 H GLY 89 H GLY 89 -8.321 8.377 1.926 657 HA2 GLY 89 1HA GLY 89 -9.517 8.887 -0.038 658 HA3 GLY 89 2HA GLY 89 -9.117 7.296 -0.668 659 H LYS 90 H LYS 90 -10.306 7.483 2.559 660 HA LYS 90 HA LYS 90 -13.082 7.274 1.952 661 HB2 LYS 90 1HB LYS 90 -13.411 4.932 2.564 662 HB3 LYS 90 2HB LYS 90 -12.370 5.065 1.153 663 HG2 LYS 90 1HG LYS 90 -11.067 4.918 3.812 664 HG3 LYS 90 2HG LYS 90 -11.815 3.451 3.174 665 HD2 LYS 90 1HD LYS 90 -10.057 5.027 1.366 666 HD3 LYS 90 2HD LYS 90 -9.295 4.080 2.646 667 HE2 LYS 90 1HE LYS 90 -9.349 2.531 0.960 668 HE3 LYS 90 2HE LYS 90 -10.887 2.192 1.751 669 HZ1 LYS 90 3HZ LYS 90 -11.082 4.218 -0.272 670 HZ2 LYS 90 1HZ LYS 90 -12.018 2.827 -0.042 671 HZ3 LYS 90 2HZ LYS 90 -10.555 2.731 -0.884 672 H LEU 91 H LEU 91 -14.392 7.133 3.829 673 HA LEU 91 HA LEU 91 -13.208 8.284 6.146 674 HB2 LEU 91 1HB LEU 91 -15.960 7.168 5.643 675 HB3 LEU 91 2HB LEU 91 -15.489 7.995 7.126 676 HG LEU 91 HG LEU 91 -15.237 9.355 4.466 677 HD11 LEU 91 1HD1 LEU 91 -17.506 10.378 5.116 678 HD12 LEU 91 2HD1 LEU 91 -17.712 8.929 6.099 679 HD13 LEU 91 3HD1 LEU 91 -17.489 8.786 4.356 680 HD21 LEU 91 3HD2 LEU 91 -15.398 11.355 5.790 681 HD22 LEU 91 1HD2 LEU 91 -14.163 10.308 6.490 682 HD23 LEU 91 2HD2 LEU 91 -15.755 10.416 7.241 683 H ILE 92 H ILE 92 -12.230 7.291 7.771 684 HA ILE 92 HA ILE 92 -12.216 4.423 7.959 685 HB ILE 92 HB ILE 92 -10.995 6.474 9.810 686 HG12 ILE 92 1HG1 ILE 92 -8.896 5.431 8.529 687 HG13 ILE 92 2HG1 ILE 92 -10.103 5.203 7.268 688 HG21 ILE 92 1HG2 ILE 92 -10.797 3.489 9.651 689 HG22 ILE 92 2HG2 ILE 92 -9.496 4.455 10.345 690 HG23 ILE 92 3HG2 ILE 92 -11.108 4.509 11.055 691 HD11 ILE 92 3HD1 ILE 92 -8.653 7.380 7.392 692 HD12 ILE 92 1HD1 ILE 92 -10.349 7.442 6.912 693 HD13 ILE 92 2HD1 ILE 92 -9.881 7.869 8.559 Start of MODEL 3 1 H1 GLY 1 H GLY 1 0.434 6.665 8.651 2 HA2 GLY 1 1HA GLY 1 0.387 7.212 5.991 3 HA3 GLY 1 2HA GLY 1 1.833 7.410 6.971 4 HA PRO 2 HA PRO 2 2.094 3.044 4.866 5 HB2 PRO 2 1HB PRO 2 0.383 2.636 2.798 6 HB3 PRO 2 2HB PRO 2 -0.005 2.200 4.467 7 HG2 PRO 2 1HG PRO 2 -0.822 4.618 2.901 8 HG3 PRO 2 2HG PRO 2 -1.793 3.609 3.989 9 HD2 PRO 2 1HD PRO 2 -0.753 5.990 4.752 10 HD3 PRO 2 2HD PRO 2 -0.972 4.638 5.881 11 H GLY 3 H GLY 3 1.110 5.803 2.874 12 HA2 GLY 3 1HA GLY 3 2.835 6.939 1.582 13 HA3 GLY 3 2HA GLY 3 3.531 5.361 1.242 14 H SER 4 H SER 4 0.159 6.457 1.052 15 HA SER 4 HA SER 4 0.242 5.954 -1.847 16 HB2 SER 4 1HB SER 4 -0.844 4.064 -0.635 17 HB3 SER 4 2HB SER 4 -2.042 5.196 -0.010 18 HG SER 4 HG SER 4 -1.688 4.222 -2.608 19 H MET 5 H MET 5 -1.758 6.891 -2.945 20 HA MET 5 HA MET 5 -2.821 9.259 -1.621 21 HB2 MET 5 1HB MET 5 -0.642 9.811 -2.875 22 HB3 MET 5 2HB MET 5 -1.573 9.547 -4.343 23 HG2 MET 5 1HG MET 5 -2.924 11.389 -3.975 24 HG3 MET 5 2HG MET 5 -2.558 11.436 -2.252 25 HE1 MET 5 3HE MET 5 1.118 11.923 -2.339 26 HE2 MET 5 1HE MET 5 0.250 13.262 -1.587 27 HE3 MET 5 2HE MET 5 -0.338 11.611 -1.393 28 H VAL 6 H VAL 6 -4.697 10.119 -2.629 29 HA VAL 6 HA VAL 6 -5.904 8.346 -4.652 30 HB VAL 6 HB VAL 6 -8.123 8.958 -3.581 31 HG11 VAL 6 1HG1 VAL 6 -6.709 7.438 -1.509 32 HG12 VAL 6 2HG1 VAL 6 -8.078 6.977 -2.522 33 HG13 VAL 6 3HG1 VAL 6 -6.435 6.869 -3.155 34 HG21 VAL 6 3HG2 VAL 6 -8.256 10.088 -1.628 35 HG22 VAL 6 1HG2 VAL 6 -6.749 9.411 -1.011 36 HG23 VAL 6 2HG2 VAL 6 -6.710 10.753 -2.155 37 H ASP 7 H ASP 7 -7.165 9.294 -6.238 38 HA ASP 7 HA ASP 7 -6.496 11.952 -6.961 39 HB2 ASP 7 1HB ASP 7 -8.600 10.076 -8.057 40 HB3 ASP 7 2HB ASP 7 -8.155 11.611 -8.796 41 H VAL 8 H VAL 8 -7.273 13.726 -6.048 42 HA VAL 8 HA VAL 8 -9.956 13.676 -4.862 43 HB VAL 8 HB VAL 8 -7.766 15.733 -4.539 44 HG11 VAL 8 1HG1 VAL 8 -10.473 15.426 -3.261 45 HG12 VAL 8 2HG1 VAL 8 -9.194 16.433 -2.579 46 HG13 VAL 8 3HG1 VAL 8 -9.849 16.799 -4.175 47 HG21 VAL 8 3HG2 VAL 8 -7.292 14.767 -2.424 48 HG22 VAL 8 1HG2 VAL 8 -8.695 13.701 -2.521 49 HG23 VAL 8 2HG2 VAL 8 -7.313 13.441 -3.586 50 H ILE 9 H ILE 9 -11.605 14.686 -5.799 51 HA ILE 9 HA ILE 9 -11.017 16.700 -7.870 52 HB ILE 9 HB ILE 9 -13.443 14.911 -7.858 53 HG12 ILE 9 1HG1 ILE 9 -10.866 14.569 -9.408 54 HG13 ILE 9 2HG1 ILE 9 -11.416 13.536 -8.093 55 HG21 ILE 9 1HG2 ILE 9 -13.580 17.066 -9.073 56 HG22 ILE 9 2HG2 ILE 9 -12.214 16.556 -10.064 57 HG23 ILE 9 3HG2 ILE 9 -13.732 15.661 -10.127 58 HD11 ILE 9 3HD1 ILE 9 -12.206 12.262 -9.748 59 HD12 ILE 9 1HD1 ILE 9 -13.538 13.417 -9.767 60 HD13 ILE 9 2HD1 ILE 9 -12.206 13.589 -10.910 61 H ILE 10 H ILE 10 -12.066 18.609 -7.763 62 HA ILE 10 HA ILE 10 -14.153 18.901 -5.702 63 HB ILE 10 HB ILE 10 -12.018 19.956 -5.015 64 HG12 ILE 10 1HG1 ILE 10 -13.836 22.250 -5.564 65 HG13 ILE 10 2HG1 ILE 10 -14.496 20.889 -4.664 66 HG21 ILE 10 1HG2 ILE 10 -11.205 20.527 -7.259 67 HG22 ILE 10 2HG2 ILE 10 -12.465 21.752 -7.395 68 HG23 ILE 10 3HG2 ILE 10 -11.197 21.923 -6.182 69 HD11 ILE 10 3HD1 ILE 10 -12.187 22.655 -3.921 70 HD12 ILE 10 1HD1 ILE 10 -13.718 22.439 -3.073 71 HD13 ILE 10 2HD1 ILE 10 -12.534 21.132 -3.103 72 H TYR 11 H TYR 11 -15.991 19.898 -6.292 73 HA TYR 11 HA TYR 11 -16.121 20.972 -9.029 74 HB2 TYR 11 1HB TYR 11 -17.863 19.209 -7.493 75 HB3 TYR 11 2HB TYR 11 -18.735 20.568 -8.195 76 HD1 TYR 11 HD1 TYR 11 -15.867 18.543 -9.471 77 HD2 TYR 11 HD2 TYR 11 -19.894 19.793 -10.041 78 HE1 TYR 11 HE1 TYR 11 -15.913 17.385 -11.641 79 HE2 TYR 11 HE2 TYR 11 -19.952 18.638 -12.212 80 HH TYR 11 HH TYR 11 -17.226 16.684 -13.327 81 H THR 12 H THR 12 -16.237 23.101 -9.165 82 HA THR 12 HA THR 12 -17.902 24.577 -7.266 83 HB THR 12 HB THR 12 -16.274 26.199 -6.727 84 HG1 THR 12 HG1 THR 12 -14.954 26.671 -8.318 85 HG21 THR 12 3HG2 THR 12 -14.695 24.986 -5.493 86 HG22 THR 12 1HG2 THR 12 -14.615 23.694 -6.691 87 HG23 THR 12 2HG2 THR 12 -16.044 23.865 -5.671 88 H ARG 13 H ARG 13 -18.527 26.690 -8.017 89 HA ARG 13 HA ARG 13 -18.422 26.902 -10.951 90 HB2 ARG 13 1HB ARG 13 -20.576 27.762 -10.961 91 HB3 ARG 13 2HB ARG 13 -20.657 26.583 -9.659 92 HG2 ARG 13 1HG ARG 13 -19.912 28.805 -8.298 93 HG3 ARG 13 2HG ARG 13 -20.902 29.501 -9.582 94 HD2 ARG 13 1HD ARG 13 -21.880 27.133 -8.040 95 HD3 ARG 13 2HD ARG 13 -22.018 28.753 -7.357 96 HE ARG 13 HE ARG 13 -23.629 27.630 -9.410 97 HH11 ARG 13 1HH1 ARG 13 -22.191 30.611 -8.330 98 HH12 ARG 13 2HH1 ARG 13 -23.388 31.612 -9.081 99 HH21 ARG 13 1HH2 ARG 13 -25.211 28.938 -10.404 100 HH22 ARG 13 2HH2 ARG 13 -25.106 30.660 -10.260 101 HA PRO 14 HA PRO 14 -16.346 30.762 -10.742 102 HB2 PRO 14 1HB PRO 14 -17.454 32.090 -12.835 103 HB3 PRO 14 2HB PRO 14 -16.323 30.747 -13.039 104 HG2 PRO 14 1HG PRO 14 -19.312 30.747 -13.199 105 HG3 PRO 14 2HG PRO 14 -18.136 29.939 -14.251 106 HD2 PRO 14 1HD PRO 14 -19.483 28.633 -12.299 107 HD3 PRO 14 2HD PRO 14 -17.832 28.191 -12.779 108 H GLY 15 H GLY 15 -17.669 31.088 -8.653 109 HA2 GLY 15 1HA GLY 15 -18.283 33.526 -8.005 110 HA3 GLY 15 2HA GLY 15 -19.704 33.183 -8.981 111 H CYS 16 H CYS 16 -17.855 31.705 -6.313 112 HA CYS 16 HA CYS 16 -20.267 31.524 -4.724 113 HB2 CYS 16 1HB CYS 16 -19.901 29.055 -4.316 114 HB3 CYS 16 2HB CYS 16 -20.529 29.472 -5.907 115 HA PRO 17 HA PRO 17 -17.105 32.407 -1.734 116 HB2 PRO 17 1HB PRO 17 -18.738 32.431 0.434 117 HB3 PRO 17 2HB PRO 17 -18.662 33.762 -0.727 118 HG2 PRO 17 1HG PRO 17 -20.657 31.539 -0.521 119 HG3 PRO 17 2HG PRO 17 -20.931 33.264 -0.828 120 HD2 PRO 17 1HD PRO 17 -20.934 31.413 -2.805 121 HD3 PRO 17 2HD PRO 17 -20.385 33.082 -3.060 122 H TYR 18 H TYR 18 -19.563 29.934 -0.986 123 HA TYR 18 HA TYR 18 -18.238 28.559 1.000 124 HB2 TYR 18 1HB TYR 18 -20.078 27.535 -1.164 125 HB3 TYR 18 2HB TYR 18 -19.524 26.540 0.177 126 HD1 TYR 18 HD2 TYR 18 -20.273 27.015 2.469 127 HD2 TYR 18 HD1 TYR 18 -21.740 29.246 -0.843 128 HE1 TYR 18 HE2 TYR 18 -22.117 27.857 3.861 129 HE2 TYR 18 HE1 TYR 18 -23.588 30.096 0.540 130 HH TYR 18 HH TYR 18 -24.756 28.923 2.970 131 H CYS 19 H CYS 19 -17.779 28.394 -2.478 132 HA CYS 19 HA CYS 19 -16.068 26.117 -2.448 133 HB2 CYS 19 1HB CYS 19 -16.072 28.250 -4.576 134 HB3 CYS 19 2HB CYS 19 -15.713 26.535 -4.750 135 H ALA 20 H ALA 20 -15.441 29.608 -2.757 136 HA ALA 20 HA ALA 20 -12.701 29.592 -2.962 137 HB1 ALA 20 1HB ALA 20 -14.408 31.558 -2.923 138 HB2 ALA 20 2HB ALA 20 -14.009 31.623 -1.206 139 HB3 ALA 20 3HB ALA 20 -12.741 31.831 -2.413 140 H ARG 21 H ARG 21 -14.635 29.517 0.019 141 HA ARG 21 HA ARG 21 -12.472 29.543 1.815 142 HB2 ARG 21 1HB ARG 21 -15.349 28.769 1.978 143 HB3 ARG 21 2HB ARG 21 -14.280 28.285 3.288 144 HG2 ARG 21 1HG ARG 21 -14.672 31.110 2.323 145 HG3 ARG 21 2HG ARG 21 -15.438 30.397 3.744 146 HD2 ARG 21 1HD ARG 21 -13.670 31.262 4.833 147 HD3 ARG 21 2HD ARG 21 -12.838 29.828 4.231 148 HE ARG 21 HE ARG 21 -12.566 31.716 2.255 149 HH11 ARG 21 1HH1 ARG 21 -11.733 31.468 5.626 150 HH12 ARG 21 2HH1 ARG 21 -10.343 32.494 5.491 151 HH21 ARG 21 1HH2 ARG 21 -10.739 33.068 2.065 152 HH22 ARG 21 2HH2 ARG 21 -9.779 33.404 3.466 153 H ALA 22 H ALA 22 -14.389 26.821 0.551 154 HA ALA 22 HA ALA 22 -13.076 24.752 1.851 155 HB1 ALA 22 1HB ALA 22 -14.134 23.301 0.387 156 HB2 ALA 22 2HB ALA 22 -15.176 24.724 0.341 157 HB3 ALA 22 3HB ALA 22 -14.029 24.428 -0.966 158 H LYS 23 H LYS 23 -12.483 25.819 -1.505 159 HA LYS 23 HA LYS 23 -10.242 24.287 -2.012 160 HB2 LYS 23 1HB LYS 23 -10.654 27.106 -3.016 161 HB3 LYS 23 2HB LYS 23 -9.727 25.828 -3.790 162 HG2 LYS 23 1HG LYS 23 -12.217 24.702 -3.540 163 HG3 LYS 23 2HG LYS 23 -12.578 26.394 -3.889 164 HD2 LYS 23 1HD LYS 23 -10.755 24.614 -5.508 165 HD3 LYS 23 2HD LYS 23 -12.409 25.055 -5.939 166 HE2 LYS 23 1HE LYS 23 -11.104 27.470 -5.413 167 HE3 LYS 23 2HE LYS 23 -9.953 26.511 -6.342 168 HZ1 LYS 23 3HZ LYS 23 -12.702 26.550 -7.304 169 HZ2 LYS 23 1HZ LYS 23 -11.250 26.558 -8.172 170 HZ3 LYS 23 2HZ LYS 23 -11.825 27.987 -7.473 171 H ALA 24 H ALA 24 -10.407 27.530 -0.578 172 HA ALA 24 HA ALA 24 -7.680 28.037 -0.363 173 HB1 ALA 24 1HB ALA 24 -8.232 29.704 1.239 174 HB2 ALA 24 2HB ALA 24 -9.555 29.648 0.073 175 HB3 ALA 24 3HB ALA 24 -9.742 28.893 1.656 176 H LEU 25 H LEU 25 -9.852 26.577 2.057 177 HA LEU 25 HA LEU 25 -7.954 26.101 4.034 178 HB2 LEU 25 1HB LEU 25 -10.527 25.823 4.046 179 HB3 LEU 25 2HB LEU 25 -10.190 24.183 3.497 180 HG LEU 25 HG LEU 25 -8.804 25.134 5.948 181 HD11 LEU 25 1HD1 LEU 25 -10.628 24.889 7.367 182 HD12 LEU 25 2HD1 LEU 25 -11.603 24.086 6.138 183 HD13 LEU 25 3HD1 LEU 25 -11.285 25.817 6.019 184 HD21 LEU 25 3HD2 LEU 25 -10.051 22.563 6.088 185 HD22 LEU 25 1HD2 LEU 25 -8.335 22.972 6.099 186 HD23 LEU 25 2HD2 LEU 25 -9.168 22.708 4.567 187 H LEU 26 H LEU 26 -8.973 24.025 1.342 188 HA LEU 26 HA LEU 26 -7.464 21.770 1.958 189 HB2 LEU 26 1HB LEU 26 -8.630 22.919 -0.513 190 HB3 LEU 26 2HB LEU 26 -7.412 21.660 -0.707 191 HG LEU 26 HG LEU 26 -9.977 21.370 0.856 192 HD11 LEU 26 1HD1 LEU 26 -10.808 20.078 -0.958 193 HD12 LEU 26 2HD1 LEU 26 -9.262 20.151 -1.802 194 HD13 LEU 26 3HD1 LEU 26 -10.239 21.608 -1.626 195 HD21 LEU 26 3HD2 LEU 26 -9.348 18.934 0.716 196 HD22 LEU 26 1HD2 LEU 26 -8.348 19.920 1.783 197 HD23 LEU 26 2HD2 LEU 26 -7.748 19.460 0.189 198 H ALA 27 H ALA 27 -6.596 24.445 -0.236 199 HA ALA 27 HA ALA 27 -4.023 23.615 -0.861 200 HB1 ALA 27 1HB ALA 27 -3.588 26.104 -1.212 201 HB2 ALA 27 2HB ALA 27 -4.904 25.375 -2.134 202 HB3 ALA 27 3HB ALA 27 -5.260 26.345 -0.705 203 H ARG 28 H ARG 28 -5.237 25.185 2.010 204 HA ARG 28 HA ARG 28 -2.790 26.095 3.065 205 HB2 ARG 28 1HB ARG 28 -5.254 26.556 3.809 206 HB3 ARG 28 2HB ARG 28 -5.021 25.140 4.824 207 HG2 ARG 28 1HG ARG 28 -2.966 27.279 4.925 208 HG3 ARG 28 2HG ARG 28 -4.525 27.578 5.695 209 HD2 ARG 28 1HD ARG 28 -4.100 25.184 6.709 210 HD3 ARG 28 2HD ARG 28 -2.417 25.586 6.370 211 HE ARG 28 HE ARG 28 -3.794 27.663 7.781 212 HH11 ARG 28 1HH1 ARG 28 -2.107 24.637 8.130 213 HH12 ARG 28 2HH1 ARG 28 -1.638 24.938 9.770 214 HH21 ARG 28 1HH2 ARG 28 -3.182 28.071 9.940 215 HH22 ARG 28 2HH2 ARG 28 -2.251 26.892 10.799 216 H LYS 29 H LYS 29 -4.261 22.958 2.940 217 HA LYS 29 HA LYS 29 -2.469 21.844 4.939 218 HB2 LYS 29 1HB LYS 29 -4.367 20.324 3.154 219 HB3 LYS 29 2HB LYS 29 -3.687 19.810 4.693 220 HG2 LYS 29 1HG LYS 29 -5.008 21.436 5.876 221 HG3 LYS 29 2HG LYS 29 -5.608 22.105 4.356 222 HD2 LYS 29 1HD LYS 29 -7.328 20.703 5.160 223 HD3 LYS 29 2HD LYS 29 -6.536 19.793 3.872 224 HE2 LYS 29 1HE LYS 29 -6.874 18.280 5.665 225 HE3 LYS 29 2HE LYS 29 -5.157 18.680 5.659 226 HZ1 LYS 29 3HZ LYS 29 -6.263 20.548 7.303 227 HZ2 LYS 29 1HZ LYS 29 -5.434 19.158 7.798 228 HZ3 LYS 29 2HZ LYS 29 -7.122 19.141 7.686 229 H GLY 30 H GLY 30 -2.515 22.385 1.576 230 HA2 GLY 30 1HA GLY 30 -0.702 22.071 0.128 231 HA3 GLY 30 2HA GLY 30 0.014 20.973 1.300 232 H ALA 31 H ALA 31 -3.290 20.458 0.513 233 HA ALA 31 HA ALA 31 -2.551 17.993 -0.878 234 HB1 ALA 31 1HB ALA 31 -4.038 17.653 0.953 235 HB2 ALA 31 2HB ALA 31 -5.137 18.902 0.368 236 HB3 ALA 31 3HB ALA 31 -4.955 17.396 -0.531 237 H GLU 32 H GLU 32 -2.481 18.039 -3.021 238 HA GLU 32 HA GLU 32 -3.696 20.112 -4.561 239 HB2 GLU 32 1HB GLU 32 -2.723 19.059 -6.466 240 HB3 GLU 32 2HB GLU 32 -1.562 18.922 -5.153 241 HG2 GLU 32 1HG GLU 32 -2.368 16.611 -4.753 242 HG3 GLU 32 2HG GLU 32 -3.393 16.768 -6.178 243 H PHE 33 H PHE 33 -5.395 19.974 -6.036 244 HA PHE 33 HA PHE 33 -6.961 17.542 -6.199 245 HB2 PHE 33 1HB PHE 33 -9.058 18.728 -5.492 246 HB3 PHE 33 2HB PHE 33 -7.906 18.454 -4.189 247 HD1 PHE 33 HD2 PHE 33 -9.203 21.006 -6.529 248 HD2 PHE 33 HD1 PHE 33 -7.025 20.242 -2.953 249 HE1 PHE 33 HE2 PHE 33 -9.243 23.407 -5.996 250 HE2 PHE 33 HE1 PHE 33 -7.063 22.642 -2.413 251 HZ PHE 33 HZ PHE 33 -8.171 24.229 -3.936 252 H ASN 34 H ASN 34 -8.257 17.449 -8.005 253 HA ASN 34 HA ASN 34 -7.644 19.324 -10.089 254 HB2 ASN 34 1HB ASN 34 -8.076 16.744 -10.240 255 HB3 ASN 34 2HB ASN 34 -9.767 17.224 -10.348 256 HD21 ASN 34 2HD2 ASN 34 -9.872 16.390 -12.450 257 HD22 ASN 34 1HD2 ASN 34 -9.188 17.237 -13.792 258 H GLU 35 H GLU 35 -8.683 21.161 -10.452 259 HA GLU 35 HA GLU 35 -11.245 21.666 -9.195 260 HB2 GLU 35 1HB GLU 35 -9.633 23.440 -9.076 261 HB3 GLU 35 2HB GLU 35 -9.382 23.402 -10.816 262 HG2 GLU 35 1HG GLU 35 -12.148 23.902 -9.977 263 HG3 GLU 35 2HG GLU 35 -10.990 25.152 -9.526 264 H ILE 36 H ILE 36 -13.131 21.347 -10.154 265 HA ILE 36 HA ILE 36 -13.283 21.523 -13.086 266 HB ILE 36 HB ILE 36 -14.700 19.437 -11.425 267 HG12 ILE 36 1HG1 ILE 36 -12.369 19.140 -13.333 268 HG13 ILE 36 2HG1 ILE 36 -12.278 19.008 -11.580 269 HG21 ILE 36 1HG2 ILE 36 -15.296 18.487 -13.631 270 HG22 ILE 36 2HG2 ILE 36 -15.991 20.083 -13.353 271 HG23 ILE 36 3HG2 ILE 36 -14.584 19.905 -14.400 272 HD11 ILE 36 3HD1 ILE 36 -13.632 17.158 -13.513 273 HD12 ILE 36 1HD1 ILE 36 -12.302 16.811 -12.409 274 HD13 ILE 36 2HD1 ILE 36 -13.922 17.102 -11.775 275 H ASP 37 H ASP 37 -15.229 22.277 -13.934 276 HA ASP 37 HA ASP 37 -16.981 23.591 -11.969 277 HB2 ASP 37 1HB ASP 37 -15.838 25.134 -13.488 278 HB3 ASP 37 2HB ASP 37 -16.490 24.268 -14.877 279 H ALA 38 H ALA 38 -19.220 23.473 -12.179 280 HA ALA 38 HA ALA 38 -20.194 21.370 -14.003 281 HB1 ALA 38 1HB ALA 38 -20.266 21.398 -11.207 282 HB2 ALA 38 2HB ALA 38 -21.916 21.736 -11.732 283 HB3 ALA 38 3HB ALA 38 -21.093 20.280 -12.291 284 H SER 39 H SER 39 -20.766 24.505 -12.564 285 HA SER 39 HA SER 39 -23.390 24.947 -13.432 286 HB2 SER 39 1HB SER 39 -22.676 26.551 -11.922 287 HB3 SER 39 2HB SER 39 -21.098 26.723 -12.690 288 HG SER 39 HG SER 39 -21.893 28.165 -14.021 289 H ALA 40 H ALA 40 -20.459 24.776 -15.189 290 HA ALA 40 HA ALA 40 -20.842 26.464 -17.335 291 HB1 ALA 40 1HB ALA 40 -19.609 24.627 -18.652 292 HB2 ALA 40 2HB ALA 40 -18.792 25.366 -17.274 293 HB3 ALA 40 3HB ALA 40 -19.538 23.776 -17.108 294 H THR 41 H THR 41 -22.175 23.222 -16.829 295 HA THR 41 HA THR 41 -24.076 23.755 -19.014 296 HB THR 41 HB THR 41 -24.024 21.087 -19.121 297 HG1 THR 41 HG1 THR 41 -22.289 20.274 -18.239 298 HG21 THR 41 3HG2 THR 41 -23.685 22.562 -21.025 299 HG22 THR 41 1HG2 THR 41 -22.469 21.285 -21.025 300 HG23 THR 41 2HG2 THR 41 -22.041 22.910 -20.489 301 HA PRO 42 HA PRO 42 -27.318 22.725 -16.239 302 HB2 PRO 42 1HB PRO 42 -29.068 21.432 -17.863 303 HB3 PRO 42 2HB PRO 42 -28.786 23.175 -17.948 304 HG2 PRO 42 1HG PRO 42 -27.668 20.990 -19.661 305 HG3 PRO 42 2HG PRO 42 -28.295 22.577 -20.141 306 HD2 PRO 42 1HD PRO 42 -25.646 22.063 -19.922 307 HD3 PRO 42 2HD PRO 42 -26.340 23.660 -19.577 308 H GLU 43 H GLU 43 -26.386 20.014 -18.351 309 HA GLU 43 HA GLU 43 -27.459 17.944 -16.821 310 HB2 GLU 43 1HB GLU 43 -25.308 18.156 -18.866 311 HB3 GLU 43 2HB GLU 43 -25.365 16.688 -17.900 312 HG2 GLU 43 1HG GLU 43 -27.863 16.637 -18.562 313 HG3 GLU 43 2HG GLU 43 -27.373 17.752 -19.837 314 H LEU 44 H LEU 44 -24.150 19.262 -16.786 315 HA LEU 44 HA LEU 44 -23.206 17.630 -14.694 316 HB2 LEU 44 1HB LEU 44 -22.319 20.189 -15.941 317 HB3 LEU 44 2HB LEU 44 -21.562 19.661 -14.440 318 HG LEU 44 HG LEU 44 -21.608 18.107 -17.027 319 HD11 LEU 44 1HD1 LEU 44 -20.137 20.289 -16.616 320 HD12 LEU 44 2HD1 LEU 44 -19.537 18.891 -17.507 321 HD13 LEU 44 3HD1 LEU 44 -19.102 19.108 -15.811 322 HD21 LEU 44 3HD2 LEU 44 -20.992 16.332 -15.849 323 HD22 LEU 44 1HD2 LEU 44 -21.214 17.251 -14.360 324 HD23 LEU 44 2HD2 LEU 44 -19.642 17.235 -15.160 325 H ARG 45 H ARG 45 -25.141 20.493 -14.714 326 HA ARG 45 HA ARG 45 -24.653 21.126 -11.935 327 HB2 ARG 45 1HB ARG 45 -25.141 22.876 -13.645 328 HB3 ARG 45 2HB ARG 45 -26.767 22.224 -13.794 329 HG2 ARG 45 1HG ARG 45 -27.127 22.707 -11.389 330 HG3 ARG 45 2HG ARG 45 -25.542 23.482 -11.351 331 HD2 ARG 45 1HD ARG 45 -26.266 25.096 -13.014 332 HD3 ARG 45 2HD ARG 45 -27.831 24.293 -13.139 333 HE ARG 45 HE ARG 45 -27.654 24.930 -10.510 334 HH11 ARG 45 1HH1 ARG 45 -27.310 26.748 -13.459 335 HH12 ARG 45 2HH1 ARG 45 -27.878 28.230 -12.766 336 HH21 ARG 45 1HH2 ARG 45 -28.403 26.876 -9.585 337 HH22 ARG 45 2HH2 ARG 45 -28.499 28.302 -10.561 338 H ALA 46 H ALA 46 -26.900 19.265 -13.800 339 HA ALA 46 HA ALA 46 -29.016 19.159 -11.916 340 HB1 ALA 46 1HB ALA 46 -29.787 18.468 -13.934 341 HB2 ALA 46 2HB ALA 46 -28.270 17.678 -14.369 342 HB3 ALA 46 3HB ALA 46 -29.390 16.887 -13.259 343 H GLU 47 H GLU 47 -26.471 16.783 -12.705 344 HA GLU 47 HA GLU 47 -27.108 15.014 -10.603 345 HB2 GLU 47 1HB GLU 47 -24.926 13.988 -11.057 346 HB3 GLU 47 2HB GLU 47 -25.810 14.304 -12.543 347 HG2 GLU 47 1HG GLU 47 -24.433 16.527 -12.535 348 HG3 GLU 47 2HG GLU 47 -23.356 15.611 -11.482 349 H MET 48 H MET 48 -25.041 17.833 -10.795 350 HA MET 48 HA MET 48 -23.699 17.390 -8.316 351 HB2 MET 48 1HB MET 48 -22.453 18.833 -9.564 352 HB3 MET 48 2HB MET 48 -23.862 19.570 -10.316 353 HG2 MET 48 1HG MET 48 -24.163 21.072 -8.600 354 HG3 MET 48 2HG MET 48 -23.308 20.068 -7.431 355 HE1 MET 48 3HE MET 48 -21.723 23.638 -9.462 356 HE2 MET 48 1HE MET 48 -23.320 22.931 -9.711 357 HE3 MET 48 2HE MET 48 -22.818 23.426 -8.094 358 H GLN 49 H GLN 49 -26.297 19.629 -9.293 359 HA GLN 49 HA GLN 49 -26.785 20.568 -6.661 360 HB2 GLN 49 1HB GLN 49 -28.470 21.855 -7.581 361 HB3 GLN 49 2HB GLN 49 -27.428 21.596 -8.974 362 HG2 GLN 49 1HG GLN 49 -28.935 19.619 -9.525 363 HG3 GLN 49 2HG GLN 49 -30.051 20.293 -8.338 364 HE21 GLN 49 2HE2 GLN 49 -29.740 22.982 -8.794 365 HE22 GLN 49 1HE2 GLN 49 -30.323 23.370 -10.373 366 H GLU 50 H GLU 50 -27.620 17.692 -8.272 367 HA GLU 50 HA GLU 50 -30.065 17.136 -6.910 368 HB2 GLU 50 1HB GLU 50 -29.661 16.018 -8.985 369 HB3 GLU 50 2HB GLU 50 -28.123 15.386 -8.416 370 HG2 GLU 50 1HG GLU 50 -29.090 13.721 -7.206 371 HG3 GLU 50 2HG GLU 50 -30.565 14.640 -6.910 372 H ARG 51 H ARG 51 -26.719 16.000 -6.487 373 HA ARG 51 HA ARG 51 -27.244 14.418 -4.208 374 HB2 ARG 51 1HB ARG 51 -24.632 15.741 -4.956 375 HB3 ARG 51 2HB ARG 51 -24.843 14.341 -3.913 376 HG2 ARG 51 1HG ARG 51 -25.406 12.947 -5.703 377 HG3 ARG 51 2HG ARG 51 -25.722 14.310 -6.778 378 HD2 ARG 51 1HD ARG 51 -23.539 14.579 -7.293 379 HD3 ARG 51 2HD ARG 51 -22.998 14.164 -5.667 380 HE ARG 51 HE ARG 51 -22.646 12.039 -6.401 381 HH11 ARG 51 1HH1 ARG 51 -24.943 13.570 -8.522 382 HH12 ARG 51 2HH1 ARG 51 -25.024 12.229 -9.616 383 HH21 ARG 51 1HH2 ARG 51 -22.744 10.267 -7.834 384 HH22 ARG 51 2HH2 ARG 51 -23.774 10.351 -9.224 385 H SER 52 H SER 52 -26.386 17.800 -4.626 386 HA SER 52 HA SER 52 -25.995 18.263 -1.813 387 HB2 SER 52 1HB SER 52 -25.478 20.479 -2.391 388 HB3 SER 52 2HB SER 52 -24.936 19.555 -3.792 389 HG SER 52 HG SER 52 -26.123 21.246 -4.570 390 H GLY 53 H GLY 53 -28.585 18.709 -4.153 391 HA2 GLY 53 1HA GLY 53 -30.858 18.905 -3.771 392 HA3 GLY 53 2HA GLY 53 -30.537 18.817 -2.045 393 H ARG 54 H ARG 54 -28.782 21.158 -3.853 394 HA ARG 54 HA ARG 54 -30.688 23.273 -3.172 395 HB2 ARG 54 1HB ARG 54 -27.790 23.206 -2.321 396 HB3 ARG 54 2HB ARG 54 -28.789 24.652 -2.277 397 HG2 ARG 54 1HG ARG 54 -30.310 23.552 -0.707 398 HG3 ARG 54 2HG ARG 54 -29.293 22.110 -0.745 399 HD2 ARG 54 1HD ARG 54 -28.449 23.116 1.120 400 HD3 ARG 54 2HD ARG 54 -27.416 23.856 -0.102 401 HE ARG 54 HE ARG 54 -28.335 25.869 0.435 402 HH11 ARG 54 1HH1 ARG 54 -30.515 23.354 1.453 403 HH12 ARG 54 2HH1 ARG 54 -31.621 24.444 2.223 404 HH21 ARG 54 1HH2 ARG 54 -29.783 27.314 1.444 405 HH22 ARG 54 2HH2 ARG 54 -31.204 26.696 2.216 406 H ASN 55 H ASN 55 -29.707 25.465 -4.014 407 HA ASN 55 HA ASN 55 -29.710 25.462 -6.744 408 HB2 ASN 55 1HB ASN 55 -28.282 27.657 -6.434 409 HB3 ASN 55 2HB ASN 55 -29.946 27.582 -5.862 410 HD21 ASN 55 2HD2 ASN 55 -30.365 27.704 -3.714 411 HD22 ASN 55 1HD2 ASN 55 -29.155 27.984 -2.513 412 H THR 56 H THR 56 -26.728 25.938 -4.842 413 HA THR 56 HA THR 56 -25.231 24.051 -6.353 414 HB THR 56 HB THR 56 -23.645 26.151 -7.060 415 HG1 THR 56 HG1 THR 56 -26.283 26.977 -7.721 416 HG21 THR 56 3HG2 THR 56 -23.934 25.340 -9.149 417 HG22 THR 56 1HG2 THR 56 -25.690 25.470 -9.069 418 HG23 THR 56 2HG2 THR 56 -24.873 24.095 -8.327 419 H PHE 57 H PHE 57 -23.477 23.443 -5.225 420 HA PHE 57 HA PHE 57 -22.254 25.288 -3.326 421 HB2 PHE 57 1HB PHE 57 -22.798 24.179 -1.424 422 HB3 PHE 57 2HB PHE 57 -24.166 23.619 -2.380 423 HD1 PHE 57 HD2 PHE 57 -23.496 21.482 -3.911 424 HD2 PHE 57 HD1 PHE 57 -21.715 22.582 -0.205 425 HE1 PHE 57 HE2 PHE 57 -22.783 19.153 -3.567 426 HE2 PHE 57 HE1 PHE 57 -20.999 20.254 0.145 427 HZ PHE 57 HZ PHE 57 -21.534 18.536 -1.536 428 HA PRO 58 HA PRO 58 -18.485 23.330 -4.420 429 HB2 PRO 58 1HB PRO 58 -17.127 23.270 -2.070 430 HB3 PRO 58 2HB PRO 58 -17.419 24.761 -2.973 431 HG2 PRO 58 1HG PRO 58 -18.882 23.665 -0.603 432 HG3 PRO 58 2HG PRO 58 -18.372 25.331 -0.930 433 HD2 PRO 58 1HD PRO 58 -20.912 24.481 -1.325 434 HD3 PRO 58 2HD PRO 58 -20.159 25.737 -2.328 435 H GLN 59 H GLN 59 -18.345 21.251 -4.974 436 HA GLN 59 HA GLN 59 -19.103 19.180 -3.061 437 HB2 GLN 59 1HB GLN 59 -19.098 19.436 -5.959 438 HB3 GLN 59 2HB GLN 59 -18.371 17.925 -5.429 439 HG2 GLN 59 1HG GLN 59 -20.422 17.107 -5.289 440 HG3 GLN 59 2HG GLN 59 -20.658 18.150 -3.887 441 HE21 GLN 59 2HE2 GLN 59 -20.721 20.622 -5.114 442 HE22 GLN 59 1HE2 GLN 59 -22.132 20.729 -6.104 443 H ILE 60 H ILE 60 -17.686 17.885 -2.067 444 HA ILE 60 HA ILE 60 -14.856 18.092 -2.861 445 HB ILE 60 HB ILE 60 -15.994 17.439 -0.140 446 HG12 ILE 60 1HG1 ILE 60 -16.276 19.802 -0.748 447 HG13 ILE 60 2HG1 ILE 60 -15.080 19.617 0.529 448 HG21 ILE 60 1HG2 ILE 60 -13.271 18.133 0.005 449 HG22 ILE 60 2HG2 ILE 60 -14.010 16.565 0.327 450 HG23 ILE 60 3HG2 ILE 60 -13.424 16.948 -1.292 451 HD11 ILE 60 3HD1 ILE 60 -14.235 21.219 -0.979 452 HD12 ILE 60 1HD1 ILE 60 -13.319 19.738 -1.257 453 HD13 ILE 60 2HD1 ILE 60 -14.602 20.205 -2.374 454 H PHE 61 H PHE 61 -14.529 16.375 -4.170 455 HA PHE 61 HA PHE 61 -15.534 13.751 -3.355 456 HB2 PHE 61 1HB PHE 61 -14.148 14.537 -5.926 457 HB3 PHE 61 2HB PHE 61 -14.969 13.014 -5.599 458 HD1 PHE 61 HD1 PHE 61 -17.464 13.764 -4.408 459 HD2 PHE 61 HD2 PHE 61 -15.312 15.670 -7.548 460 HE1 PHE 61 HE1 PHE 61 -19.565 14.712 -5.268 461 HE2 PHE 61 HE2 PHE 61 -17.410 16.621 -8.413 462 HZ PHE 61 HZ PHE 61 -19.540 16.143 -7.272 463 H ILE 62 H ILE 62 -14.254 12.600 -2.078 464 HA ILE 62 HA ILE 62 -11.339 12.779 -2.473 465 HB ILE 62 HB ILE 62 -12.871 12.066 0.031 466 HG12 ILE 62 1HG1 ILE 62 -11.138 14.446 -0.671 467 HG13 ILE 62 2HG1 ILE 62 -12.885 14.459 -0.453 468 HG21 ILE 62 1HG2 ILE 62 -10.668 11.971 1.117 469 HG22 ILE 62 2HG2 ILE 62 -10.847 10.740 -0.133 470 HG23 ILE 62 3HG2 ILE 62 -9.897 12.191 -0.453 471 HD11 ILE 62 3HD1 ILE 62 -10.723 14.239 1.582 472 HD12 ILE 62 1HD1 ILE 62 -12.144 15.283 1.555 473 HD13 ILE 62 2HD1 ILE 62 -12.317 13.566 1.920 474 H GLY 63 H GLY 63 -10.552 11.075 -3.515 475 HA2 GLY 63 1HA GLY 63 -10.118 8.894 -4.090 476 HA3 GLY 63 2HA GLY 63 -10.875 8.430 -2.573 477 H SER 64 H SER 64 -12.774 7.403 -2.647 478 HA SER 64 HA SER 64 -14.237 7.422 -5.206 479 HB2 SER 64 1HB SER 64 -13.184 5.254 -4.863 480 HB3 SER 64 2HB SER 64 -13.888 5.136 -3.250 481 HG SER 64 HG SER 64 -15.430 5.370 -5.617 482 H VAL 65 H VAL 65 -14.420 8.786 -2.383 483 HA VAL 65 HA VAL 65 -17.317 8.328 -2.080 484 HB VAL 65 HB VAL 65 -15.458 9.148 0.151 485 HG11 VAL 65 1HG1 VAL 65 -17.622 9.868 0.675 486 HG12 VAL 65 2HG1 VAL 65 -18.366 8.420 -0.008 487 HG13 VAL 65 3HG1 VAL 65 -17.465 8.320 1.506 488 HG21 VAL 65 3HG2 VAL 65 -14.778 6.957 -0.346 489 HG22 VAL 65 1HG2 VAL 65 -15.937 6.777 0.972 490 HG23 VAL 65 2HG2 VAL 65 -16.427 6.430 -0.686 491 H HIS 66 H HIS 66 -18.596 10.142 -1.535 492 HA HIS 66 HA HIS 66 -17.394 12.689 -2.361 493 HB2 HIS 66 1HB HIS 66 -19.293 12.045 -3.702 494 HB3 HIS 66 2HB HIS 66 -20.275 11.777 -2.265 495 HD1 HIS 66 HD1 HIS 66 -22.027 13.502 -3.076 496 HD2 HIS 66 HD2 HIS 66 -18.229 15.079 -2.483 497 HE1 HIS 66 HE1 HIS 66 -22.324 15.999 -3.106 498 H VAL 67 H VAL 67 -16.554 13.599 -0.554 499 HA VAL 67 HA VAL 67 -17.517 13.421 2.043 500 HB VAL 67 HB VAL 67 -15.969 15.668 0.750 501 HG11 VAL 67 1HG1 VAL 67 -17.032 16.525 2.731 502 HG12 VAL 67 2HG1 VAL 67 -16.517 15.118 3.664 503 HG13 VAL 67 3HG1 VAL 67 -15.320 16.269 3.067 504 HG21 VAL 67 3HG2 VAL 67 -14.195 14.441 2.313 505 HG22 VAL 67 1HG2 VAL 67 -15.255 13.070 1.986 506 HG23 VAL 67 2HG2 VAL 67 -14.496 13.937 0.650 507 H GLY 68 H GLY 68 -17.643 16.509 0.296 508 HA2 GLY 68 1HA GLY 68 -20.349 16.937 0.150 509 HA3 GLY 68 2HA GLY 68 -19.927 17.359 1.802 510 H GLY 69 H GLY 69 -19.136 19.341 2.207 511 HA2 GLY 69 1HA GLY 69 -17.867 20.873 0.081 512 HA3 GLY 69 2HA GLY 69 -19.398 21.504 0.670 513 H CYS 70 H CYS 70 -18.356 23.402 1.394 514 HA CYS 70 HA CYS 70 -16.142 23.593 3.025 515 HB2 CYS 70 1HB CYS 70 -17.152 25.571 2.092 516 HB3 CYS 70 2HB CYS 70 -18.642 25.289 2.985 517 HG CYS 70 HG CYS 70 -17.154 27.488 4.034 518 H ASP 71 H ASP 71 -19.519 23.081 3.970 519 HA ASP 71 HA ASP 71 -19.192 23.194 6.737 520 HB2 ASP 71 1HB ASP 71 -21.345 22.982 5.263 521 HB3 ASP 71 2HB ASP 71 -21.108 21.252 5.495 522 H ASP 72 H ASP 72 -19.049 20.378 4.569 523 HA ASP 72 HA ASP 72 -18.473 18.487 6.580 524 HB2 ASP 72 1HB ASP 72 -17.826 18.417 3.625 525 HB3 ASP 72 2HB ASP 72 -17.746 17.034 4.712 526 H LEU 73 H LEU 73 -16.323 20.119 4.254 527 HA LEU 73 HA LEU 73 -13.918 19.038 5.137 528 HB2 LEU 73 1HB LEU 73 -14.562 20.659 3.142 529 HB3 LEU 73 2HB LEU 73 -13.979 21.881 4.270 530 HG LEU 73 HG LEU 73 -12.355 19.514 3.344 531 HD11 LEU 73 1HD1 LEU 73 -11.348 21.984 2.384 532 HD12 LEU 73 2HD1 LEU 73 -13.049 21.874 1.932 533 HD13 LEU 73 3HD1 LEU 73 -11.928 20.597 1.461 534 HD21 LEU 73 3HD2 LEU 73 -11.307 20.137 5.267 535 HD22 LEU 73 1HD2 LEU 73 -11.898 21.797 5.185 536 HD23 LEU 73 2HD2 LEU 73 -10.559 21.287 4.157 537 H TYR 74 H TYR 74 -15.750 21.791 6.344 538 HA TYR 74 HA TYR 74 -13.733 22.681 8.156 539 HB2 TYR 74 1HB TYR 74 -16.610 23.319 7.680 540 HB3 TYR 74 2HB TYR 74 -15.890 23.805 9.211 541 HD1 TYR 74 HD1 TYR 74 -14.253 23.715 5.878 542 HD2 TYR 74 HD2 TYR 74 -15.822 26.142 9.001 543 HE1 TYR 74 HE1 TYR 74 -13.308 25.711 4.794 544 HE2 TYR 74 HE2 TYR 74 -14.883 28.144 7.925 545 HH TYR 74 HH TYR 74 -12.590 28.008 5.472 546 H ALA 75 H ALA 75 -16.477 20.498 8.366 547 HA ALA 75 HA ALA 75 -16.357 20.195 11.209 548 HB1 ALA 75 1HB ALA 75 -17.877 18.944 8.990 549 HB2 ALA 75 2HB ALA 75 -17.741 18.043 10.501 550 HB3 ALA 75 3HB ALA 75 -18.450 19.658 10.497 551 H LEU 76 H LEU 76 -14.874 18.624 8.469 552 HA LEU 76 HA LEU 76 -13.956 16.341 9.956 553 HB2 LEU 76 1HB LEU 76 -13.553 17.397 7.197 554 HB3 LEU 76 2HB LEU 76 -12.437 16.184 7.820 555 HG LEU 76 HG LEU 76 -14.611 15.559 6.416 556 HD11 LEU 76 1HD1 LEU 76 -14.548 13.342 7.572 557 HD12 LEU 76 2HD1 LEU 76 -13.438 14.053 8.743 558 HD13 LEU 76 3HD1 LEU 76 -12.978 13.945 7.044 559 HD21 LEU 76 3HD2 LEU 76 -15.579 15.404 9.266 560 HD22 LEU 76 1HD2 LEU 76 -16.449 14.919 7.810 561 HD23 LEU 76 2HD2 LEU 76 -16.103 16.623 8.102 562 H GLU 77 H GLU 77 -12.420 19.252 8.603 563 HA GLU 77 HA GLU 77 -9.819 18.760 9.462 564 HB2 GLU 77 1HB GLU 77 -9.356 20.998 8.975 565 HB3 GLU 77 2HB GLU 77 -10.718 20.623 7.929 566 HG2 GLU 77 1HG GLU 77 -11.427 22.611 8.747 567 HG3 GLU 77 2HG GLU 77 -12.091 21.549 9.987 568 H ASP 78 H ASP 78 -12.600 19.901 11.218 569 HA ASP 78 HA ASP 78 -11.269 20.988 13.457 570 HB2 ASP 78 1HB ASP 78 -13.811 21.035 12.697 571 HB3 ASP 78 2HB ASP 78 -13.919 19.656 13.788 572 H GLU 79 H GLU 79 -11.965 17.735 12.490 573 HA GLU 79 HA GLU 79 -11.236 16.707 15.136 574 HB2 GLU 79 1HB GLU 79 -12.157 15.091 12.763 575 HB3 GLU 79 2HB GLU 79 -12.133 14.609 14.454 576 HG2 GLU 79 1HG GLU 79 -13.752 16.720 14.644 577 HG3 GLU 79 2HG GLU 79 -14.086 16.257 12.977 578 H GLY 80 H GLY 80 -9.994 17.167 11.969 579 HA2 GLY 80 1HA GLY 80 -7.803 16.911 11.250 580 HA3 GLY 80 2HA GLY 80 -7.426 16.126 12.777 581 H LYS 81 H LYS 81 -10.122 14.953 10.977 582 HA LYS 81 HA LYS 81 -8.717 12.443 10.528 583 HB2 LYS 81 1HB LYS 81 -11.616 13.089 9.973 584 HB3 LYS 81 2HB LYS 81 -10.886 11.492 10.089 585 HG2 LYS 81 1HG LYS 81 -11.078 13.456 12.363 586 HG3 LYS 81 2HG LYS 81 -12.200 12.123 12.080 587 HD2 LYS 81 1HD LYS 81 -10.696 10.539 12.733 588 HD3 LYS 81 2HD LYS 81 -9.306 11.475 12.182 589 HE2 LYS 81 1HE LYS 81 -9.027 11.675 14.437 590 HE3 LYS 81 2HE LYS 81 -10.057 13.075 14.146 591 HZ1 LYS 81 3HZ LYS 81 -11.385 12.207 15.685 592 HZ2 LYS 81 1HZ LYS 81 -10.589 10.714 15.670 593 HZ3 LYS 81 2HZ LYS 81 -11.813 11.031 14.547 594 H LEU 82 H LEU 82 -9.806 15.200 8.768 595 HA LEU 82 HA LEU 82 -10.200 14.225 6.219 596 HB2 LEU 82 1HB LEU 82 -10.379 16.618 7.111 597 HB3 LEU 82 2HB LEU 82 -8.659 16.746 6.749 598 HG LEU 82 HG LEU 82 -9.266 16.124 4.361 599 HD11 LEU 82 1HD1 LEU 82 -11.644 15.417 5.274 600 HD12 LEU 82 2HD1 LEU 82 -11.427 16.058 3.646 601 HD13 LEU 82 3HD1 LEU 82 -12.007 17.110 4.937 602 HD21 LEU 82 3HD2 LEU 82 -9.843 18.668 5.767 603 HD22 LEU 82 1HD2 LEU 82 -10.391 18.521 4.097 604 HD23 LEU 82 2HD2 LEU 82 -8.683 18.316 4.486 605 H ASP 83 H ASP 83 -7.160 14.917 7.871 606 HA ASP 83 HA ASP 83 -5.376 14.685 5.773 607 HB2 ASP 83 1HB ASP 83 -5.218 14.161 8.704 608 HB3 ASP 83 2HB ASP 83 -3.891 13.596 7.692 609 H SER 84 H SER 84 -6.914 12.139 7.673 610 HA SER 84 HA SER 84 -5.470 10.035 6.331 611 HB2 SER 84 1HB SER 84 -7.940 9.713 8.037 612 HB3 SER 84 2HB SER 84 -6.676 8.525 7.723 613 HG SER 84 HG SER 84 -5.771 9.270 9.456 614 H LEU 85 H LEU 85 -8.467 11.726 5.924 615 HA LEU 85 HA LEU 85 -9.798 9.804 4.319 616 HB2 LEU 85 1HB LEU 85 -10.143 12.674 4.961 617 HB3 LEU 85 2HB LEU 85 -10.917 12.086 3.491 618 HG LEU 85 HG LEU 85 -12.483 12.083 5.341 619 HD11 LEU 85 1HD1 LEU 85 -12.297 9.243 5.310 620 HD12 LEU 85 2HD1 LEU 85 -11.840 9.858 3.722 621 HD13 LEU 85 3HD1 LEU 85 -13.401 10.291 4.420 622 HD21 LEU 85 3HD2 LEU 85 -11.143 11.903 7.261 623 HD22 LEU 85 1HD2 LEU 85 -10.372 10.424 6.689 624 HD23 LEU 85 2HD2 LEU 85 -12.060 10.397 7.202 625 H LEU 86 H LEU 86 -7.612 12.474 3.607 626 HA LEU 86 HA LEU 86 -7.882 12.144 0.750 627 HB2 LEU 86 1HB LEU 86 -6.133 13.864 0.619 628 HB3 LEU 86 2HB LEU 86 -7.497 14.354 1.623 629 HG LEU 86 HG LEU 86 -5.954 13.502 3.574 630 HD11 LEU 86 1HD1 LEU 86 -3.895 12.921 3.005 631 HD12 LEU 86 2HD1 LEU 86 -3.622 14.544 2.370 632 HD13 LEU 86 3HD1 LEU 86 -4.239 13.276 1.311 633 HD21 LEU 86 3HD2 LEU 86 -5.115 16.090 2.348 634 HD22 LEU 86 1HD2 LEU 86 -5.466 15.703 4.032 635 HD23 LEU 86 2HD2 LEU 86 -6.785 15.877 2.875 636 H LYS 87 H LYS 87 -5.887 10.913 3.275 637 HA LYS 87 HA LYS 87 -3.710 10.115 1.569 638 HB2 LYS 87 1HB LYS 87 -3.752 10.597 4.161 639 HB3 LYS 87 2HB LYS 87 -4.185 8.896 4.258 640 HG2 LYS 87 1HG LYS 87 -1.908 8.789 4.455 641 HG3 LYS 87 2HG LYS 87 -2.105 8.574 2.714 642 HD2 LYS 87 1HD LYS 87 -0.458 10.175 2.764 643 HD3 LYS 87 2HD LYS 87 -1.898 11.192 2.689 644 HE2 LYS 87 1HE LYS 87 -0.691 12.180 4.394 645 HE3 LYS 87 2HE LYS 87 -1.776 11.110 5.280 646 HZ1 LYS 87 3HZ LYS 87 -0.081 9.857 5.992 647 HZ2 LYS 87 1HZ LYS 87 0.886 11.190 5.605 648 HZ3 LYS 87 2HZ LYS 87 0.736 9.908 4.511 649 H THR 88 H THR 88 -6.383 8.458 3.223 650 HA THR 88 HA THR 88 -5.755 5.966 1.861 651 HB THR 88 HB THR 88 -7.416 4.931 3.220 652 HG1 THR 88 HG1 THR 88 -8.259 7.587 3.807 653 HG21 THR 88 3HG2 THR 88 -5.365 5.441 4.413 654 HG22 THR 88 1HG2 THR 88 -6.743 5.601 5.502 655 HG23 THR 88 2HG2 THR 88 -5.976 7.041 4.831 656 H GLY 89 H GLY 89 -8.267 8.451 1.873 657 HA2 GLY 89 1HA GLY 89 -9.615 9.067 0.071 658 HA3 GLY 89 2HA GLY 89 -9.058 7.646 -0.801 659 H LYS 90 H LYS 90 -10.165 7.146 2.409 660 HA LYS 90 HA LYS 90 -12.850 6.421 1.493 661 HB2 LYS 90 1HB LYS 90 -10.936 4.567 2.917 662 HB3 LYS 90 2HB LYS 90 -12.661 4.259 2.763 663 HG2 LYS 90 1HG LYS 90 -11.928 3.062 0.986 664 HG3 LYS 90 2HG LYS 90 -12.113 4.629 0.195 665 HD2 LYS 90 1HD LYS 90 -9.858 4.976 0.052 666 HD3 LYS 90 2HD LYS 90 -9.510 4.023 1.496 667 HE2 LYS 90 1HE LYS 90 -8.671 2.776 -0.325 668 HE3 LYS 90 2HE LYS 90 -10.173 1.987 0.151 669 HZ1 LYS 90 3HZ LYS 90 -10.940 2.271 -1.890 670 HZ2 LYS 90 1HZ LYS 90 -9.483 2.993 -2.356 671 HZ3 LYS 90 2HZ LYS 90 -10.750 3.948 -1.772 672 H LEU 91 H LEU 91 -14.423 6.325 3.146 673 HA LEU 91 HA LEU 91 -14.008 8.163 5.268 674 HB2 LEU 91 1HB LEU 91 -16.239 6.377 4.413 675 HB3 LEU 91 2HB LEU 91 -16.302 7.131 6.004 676 HG LEU 91 HG LEU 91 -16.043 8.653 3.413 677 HD11 LEU 91 1HD1 LEU 91 -18.467 8.009 5.080 678 HD12 LEU 91 2HD1 LEU 91 -18.173 7.572 3.397 679 HD13 LEU 91 3HD1 LEU 91 -18.423 9.261 3.838 680 HD21 LEU 91 3HD2 LEU 91 -15.992 10.546 4.630 681 HD22 LEU 91 1HD2 LEU 91 -15.383 9.483 5.900 682 HD23 LEU 91 2HD2 LEU 91 -17.093 9.914 5.855 683 H ILE 92 H ILE 92 -12.676 7.649 6.893 684 HA ILE 92 HA ILE 92 -12.257 5.013 7.849 685 HB ILE 92 HB ILE 92 -11.032 6.086 9.708 686 HG12 ILE 92 1HG1 ILE 92 -11.533 8.756 8.444 687 HG13 ILE 92 2HG1 ILE 92 -12.688 8.120 9.609 688 HG21 ILE 92 1HG2 ILE 92 -9.855 5.650 7.655 689 HG22 ILE 92 2HG2 ILE 92 -10.449 7.153 6.951 690 HG23 ILE 92 3HG2 ILE 92 -9.319 7.200 8.304 691 HD11 ILE 92 3HD1 ILE 92 -10.177 9.409 10.059 692 HD12 ILE 92 1HD1 ILE 92 -11.422 8.946 11.218 693 HD13 ILE 92 2HD1 ILE 92 -10.163 7.795 10.771 Start of MODEL 4 1 H1 GLY 1 H GLY 1 6.024 9.382 1.848 2 HA2 GLY 1 1HA GLY 1 4.601 11.396 1.624 3 HA3 GLY 1 2HA GLY 1 5.841 12.034 0.554 4 HA PRO 2 HA PRO 2 3.938 10.269 -2.973 5 HB2 PRO 2 1HB PRO 2 5.987 9.145 -4.355 6 HB3 PRO 2 2HB PRO 2 5.768 10.893 -4.214 7 HG2 PRO 2 1HG PRO 2 7.591 9.082 -2.678 8 HG3 PRO 2 2HG PRO 2 7.922 10.684 -3.364 9 HD2 PRO 2 1HD PRO 2 7.374 10.307 -0.739 10 HD3 PRO 2 2HD PRO 2 6.908 11.782 -1.609 11 H GLY 3 H GLY 3 2.658 8.663 -1.929 12 HA2 GLY 3 1HA GLY 3 3.392 5.969 -2.698 13 HA3 GLY 3 2HA GLY 3 3.263 6.223 -0.964 14 H SER 4 H SER 4 1.361 5.746 -0.111 15 HA SER 4 HA SER 4 -0.878 5.053 -1.697 16 HB2 SER 4 1HB SER 4 -0.448 5.414 1.259 17 HB3 SER 4 2HB SER 4 -2.057 5.092 0.613 18 HG SER 4 HG SER 4 -0.476 3.271 1.251 19 H MET 5 H MET 5 -2.048 6.479 -2.796 20 HA MET 5 HA MET 5 -3.158 8.774 -1.389 21 HB2 MET 5 1HB MET 5 -1.243 8.938 -3.651 22 HB3 MET 5 2HB MET 5 -2.620 10.030 -3.698 23 HG2 MET 5 1HG MET 5 -2.011 10.983 -1.585 24 HG3 MET 5 2HG MET 5 -0.729 9.793 -1.372 25 HE1 MET 5 3HE MET 5 -0.347 12.987 -1.109 26 HE2 MET 5 1HE MET 5 0.096 13.826 -2.596 27 HE3 MET 5 2HE MET 5 -1.563 13.278 -2.354 28 H VAL 6 H VAL 6 -4.759 9.946 -2.922 29 HA VAL 6 HA VAL 6 -6.020 8.104 -4.811 30 HB VAL 6 HB VAL 6 -8.273 8.658 -3.795 31 HG11 VAL 6 1HG1 VAL 6 -6.632 6.564 -3.397 32 HG12 VAL 6 2HG1 VAL 6 -6.838 7.113 -1.733 33 HG13 VAL 6 3HG1 VAL 6 -8.248 6.682 -2.702 34 HG21 VAL 6 3HG2 VAL 6 -8.488 9.715 -1.799 35 HG22 VAL 6 1HG2 VAL 6 -6.955 9.097 -1.183 36 HG23 VAL 6 2HG2 VAL 6 -6.971 10.459 -2.303 37 H ASP 7 H ASP 7 -7.277 9.098 -6.386 38 HA ASP 7 HA ASP 7 -6.577 11.764 -7.039 39 HB2 ASP 7 1HB ASP 7 -8.574 9.820 -8.186 40 HB3 ASP 7 2HB ASP 7 -8.388 11.450 -8.826 41 H VAL 8 H VAL 8 -7.389 13.576 -6.244 42 HA VAL 8 HA VAL 8 -10.049 13.516 -4.999 43 HB VAL 8 HB VAL 8 -7.898 15.614 -4.694 44 HG11 VAL 8 1HG1 VAL 8 -10.082 16.514 -4.259 45 HG12 VAL 8 2HG1 VAL 8 -10.492 15.139 -3.232 46 HG13 VAL 8 3HG1 VAL 8 -9.250 16.284 -2.721 47 HG21 VAL 8 3HG2 VAL 8 -7.399 14.624 -2.549 48 HG22 VAL 8 1HG2 VAL 8 -8.654 13.407 -2.782 49 HG23 VAL 8 2HG2 VAL 8 -7.219 13.402 -3.808 50 H ILE 9 H ILE 9 -11.698 14.671 -5.798 51 HA ILE 9 HA ILE 9 -11.118 16.650 -7.902 52 HB ILE 9 HB ILE 9 -13.533 14.847 -7.918 53 HG12 ILE 9 1HG1 ILE 9 -10.952 14.551 -9.470 54 HG13 ILE 9 2HG1 ILE 9 -11.505 13.487 -8.182 55 HG21 ILE 9 1HG2 ILE 9 -14.243 16.144 -9.572 56 HG22 ILE 9 2HG2 ILE 9 -12.850 17.196 -9.322 57 HG23 ILE 9 3HG2 ILE 9 -12.751 15.859 -10.468 58 HD11 ILE 9 3HD1 ILE 9 -12.209 13.538 -10.998 59 HD12 ILE 9 1HD1 ILE 9 -12.356 12.241 -9.812 60 HD13 ILE 9 2HD1 ILE 9 -13.614 13.472 -9.934 61 H ILE 10 H ILE 10 -12.084 18.575 -7.680 62 HA ILE 10 HA ILE 10 -14.229 18.816 -5.672 63 HB ILE 10 HB ILE 10 -12.143 19.814 -4.850 64 HG12 ILE 10 1HG1 ILE 10 -13.711 22.244 -5.454 65 HG13 ILE 10 2HG1 ILE 10 -14.630 20.907 -4.770 66 HG21 ILE 10 1HG2 ILE 10 -11.096 20.359 -6.964 67 HG22 ILE 10 2HG2 ILE 10 -12.340 21.562 -7.299 68 HG23 ILE 10 3HG2 ILE 10 -11.215 21.806 -5.963 69 HD11 ILE 10 3HD1 ILE 10 -12.922 20.822 -2.931 70 HD12 ILE 10 1HD1 ILE 10 -12.280 22.336 -3.568 71 HD13 ILE 10 2HD1 ILE 10 -13.938 22.263 -2.969 72 H TYR 11 H TYR 11 -16.018 19.940 -6.225 73 HA TYR 11 HA TYR 11 -16.071 21.108 -8.929 74 HB2 TYR 11 1HB TYR 11 -17.880 19.299 -7.523 75 HB3 TYR 11 2HB TYR 11 -18.711 20.697 -8.197 76 HD1 TYR 11 HD1 TYR 11 -15.930 18.474 -9.357 77 HD2 TYR 11 HD2 TYR 11 -19.712 20.226 -10.213 78 HE1 TYR 11 HE1 TYR 11 -15.917 17.405 -11.572 79 HE2 TYR 11 HE2 TYR 11 -19.710 19.161 -12.430 80 HH TYR 11 HH TYR 11 -17.322 16.796 -13.332 81 H THR 12 H THR 12 -16.171 23.243 -8.967 82 HA THR 12 HA THR 12 -17.938 24.657 -7.141 83 HB THR 12 HB THR 12 -16.037 24.861 -5.793 84 HG1 THR 12 HG1 THR 12 -15.250 27.113 -6.411 85 HG21 THR 12 3HG2 THR 12 -14.520 25.097 -8.373 86 HG22 THR 12 1HG2 THR 12 -14.291 23.949 -7.055 87 HG23 THR 12 2HG2 THR 12 -13.817 25.635 -6.848 88 H ARG 13 H ARG 13 -18.281 26.903 -7.769 89 HA ARG 13 HA ARG 13 -17.768 27.320 -10.641 90 HB2 ARG 13 1HB ARG 13 -19.861 28.916 -10.266 91 HB3 ARG 13 2HB ARG 13 -20.049 27.205 -10.627 92 HG2 ARG 13 1HG ARG 13 -20.747 26.690 -8.515 93 HG3 ARG 13 2HG ARG 13 -19.867 28.031 -7.779 94 HD2 ARG 13 1HD ARG 13 -21.481 29.608 -8.716 95 HD3 ARG 13 2HD ARG 13 -22.352 28.274 -9.473 96 HE ARG 13 HE ARG 13 -22.368 27.576 -6.876 97 HH11 ARG 13 1HH1 ARG 13 -23.183 30.536 -8.517 98 HH12 ARG 13 2HH1 ARG 13 -24.374 31.008 -7.350 99 HH21 ARG 13 1HH2 ARG 13 -23.933 28.186 -5.333 100 HH22 ARG 13 2HH2 ARG 13 -24.799 29.671 -5.539 101 HA PRO 14 HA PRO 14 -15.757 31.137 -9.846 102 HB2 PRO 14 1HB PRO 14 -16.726 32.751 -11.802 103 HB3 PRO 14 2HB PRO 14 -15.597 31.429 -12.119 104 HG2 PRO 14 1HG PRO 14 -18.571 31.501 -12.451 105 HG3 PRO 14 2HG PRO 14 -17.341 30.821 -13.532 106 HD2 PRO 14 1HD PRO 14 -18.814 29.288 -11.855 107 HD3 PRO 14 2HD PRO 14 -17.141 28.887 -12.294 108 H GLY 15 H GLY 15 -19.115 30.872 -9.503 109 HA2 GLY 15 1HA GLY 15 -19.234 33.539 -8.234 110 HA3 GLY 15 2HA GLY 15 -20.600 32.816 -9.070 111 H CYS 16 H CYS 16 -18.349 31.247 -6.837 112 HA CYS 16 HA CYS 16 -20.522 31.009 -4.875 113 HB2 CYS 16 1HB CYS 16 -20.506 28.920 -6.113 114 HB3 CYS 16 2HB CYS 16 -18.769 28.755 -5.871 115 HA PRO 17 HA PRO 17 -17.042 32.535 -2.471 116 HB2 PRO 17 1HB PRO 17 -18.531 33.151 -0.286 117 HB3 PRO 17 2HB PRO 17 -18.448 34.188 -1.716 118 HG2 PRO 17 1HG PRO 17 -20.556 32.214 -0.926 119 HG3 PRO 17 2HG PRO 17 -20.745 33.846 -1.595 120 HD2 PRO 17 1HD PRO 17 -20.984 31.613 -3.109 121 HD3 PRO 17 2HD PRO 17 -20.352 33.142 -3.754 122 H TYR 18 H TYR 18 -19.605 30.555 -0.966 123 HA TYR 18 HA TYR 18 -18.110 29.516 1.127 124 HB2 TYR 18 1HB TYR 18 -20.264 28.014 -0.368 125 HB3 TYR 18 2HB TYR 18 -19.785 27.801 1.312 126 HD1 TYR 18 HD1 TYR 18 -19.808 30.291 2.569 127 HD2 TYR 18 HD2 TYR 18 -22.337 28.981 -0.592 128 HE1 TYR 18 HE1 TYR 18 -21.512 31.921 3.265 129 HE2 TYR 18 HE2 TYR 18 -24.048 30.609 0.095 130 HH TYR 18 HH TYR 18 -24.569 31.813 2.529 131 H CYS 19 H CYS 19 -18.021 28.756 -2.239 132 HA CYS 19 HA CYS 19 -16.827 26.176 -2.005 133 HB2 CYS 19 1HB CYS 19 -16.888 28.137 -4.308 134 HB3 CYS 19 2HB CYS 19 -16.292 26.484 -4.421 135 H ALA 20 H ALA 20 -15.516 29.386 -2.822 136 HA ALA 20 HA ALA 20 -12.854 28.726 -3.107 137 HB1 ALA 20 1HB ALA 20 -13.095 31.228 -1.703 138 HB2 ALA 20 2HB ALA 20 -12.639 30.920 -3.379 139 HB3 ALA 20 3HB ALA 20 -14.340 31.085 -2.945 140 H ARG 21 H ARG 21 -14.648 29.396 -0.133 141 HA ARG 21 HA ARG 21 -12.549 29.476 1.676 142 HB2 ARG 21 1HB ARG 21 -15.434 28.772 1.842 143 HB3 ARG 21 2HB ARG 21 -14.414 28.321 3.202 144 HG2 ARG 21 1HG ARG 21 -14.679 31.104 2.082 145 HG3 ARG 21 2HG ARG 21 -15.505 30.494 3.518 146 HD2 ARG 21 1HD ARG 21 -12.962 29.861 4.132 147 HD3 ARG 21 2HD ARG 21 -12.689 31.289 3.136 148 HE ARG 21 HE ARG 21 -14.686 31.936 4.948 149 HH11 ARG 21 1HH1 ARG 21 -11.331 31.010 5.017 150 HH12 ARG 21 2HH1 ARG 21 -10.986 31.880 6.475 151 HH21 ARG 21 1HH2 ARG 21 -14.244 33.085 6.868 152 HH22 ARG 21 2HH2 ARG 21 -12.644 33.059 7.528 153 H ALA 22 H ALA 22 -14.449 26.643 0.651 154 HA ALA 22 HA ALA 22 -13.040 24.742 2.160 155 HB1 ALA 22 1HB ALA 22 -14.337 23.184 1.135 156 HB2 ALA 22 2HB ALA 22 -15.270 24.621 0.717 157 HB3 ALA 22 3HB ALA 22 -14.159 23.919 -0.458 158 H LYS 23 H LYS 23 -12.591 25.855 -1.180 159 HA LYS 23 HA LYS 23 -10.533 24.103 -1.897 160 HB2 LYS 23 1HB LYS 23 -11.094 26.923 -2.830 161 HB3 LYS 23 2HB LYS 23 -9.944 25.837 -3.599 162 HG2 LYS 23 1HG LYS 23 -12.305 24.374 -3.447 163 HG3 LYS 23 2HG LYS 23 -12.805 26.005 -3.901 164 HD2 LYS 23 1HD LYS 23 -10.728 24.315 -5.294 165 HD3 LYS 23 2HD LYS 23 -12.353 24.673 -5.883 166 HE2 LYS 23 1HE LYS 23 -11.305 27.167 -5.370 167 HE3 LYS 23 2HE LYS 23 -9.921 26.275 -5.999 168 HZ1 LYS 23 3HZ LYS 23 -12.387 27.064 -7.337 169 HZ2 LYS 23 1HZ LYS 23 -11.749 25.554 -7.757 170 HZ3 LYS 23 2HZ LYS 23 -10.813 26.949 -7.947 171 H ALA 24 H ALA 24 -10.264 27.479 -0.773 172 HA ALA 24 HA ALA 24 -7.508 27.639 -0.621 173 HB1 ALA 24 1HB ALA 24 -9.441 29.387 -0.155 174 HB2 ALA 24 2HB ALA 24 -9.079 28.967 1.519 175 HB3 ALA 24 3HB ALA 24 -7.810 29.611 0.478 176 H LEU 25 H LEU 25 -9.767 26.689 1.966 177 HA LEU 25 HA LEU 25 -7.895 26.190 3.958 178 HB2 LEU 25 1HB LEU 25 -10.499 26.176 3.984 179 HB3 LEU 25 2HB LEU 25 -10.312 24.456 3.648 180 HG LEU 25 HG LEU 25 -8.878 25.648 5.980 181 HD11 LEU 25 1HD1 LEU 25 -11.275 26.419 6.026 182 HD12 LEU 25 2HD1 LEU 25 -10.756 25.450 7.404 183 HD13 LEU 25 3HD1 LEU 25 -11.734 24.719 6.132 184 HD21 LEU 25 3HD2 LEU 25 -8.531 23.515 6.531 185 HD22 LEU 25 1HD2 LEU 25 -9.077 23.121 4.901 186 HD23 LEU 25 2HD2 LEU 25 -10.217 23.080 6.246 187 H LEU 26 H LEU 26 -9.095 24.061 1.401 188 HA LEU 26 HA LEU 26 -7.766 21.725 2.265 189 HB2 LEU 26 1HB LEU 26 -9.222 22.621 -0.105 190 HB3 LEU 26 2HB LEU 26 -7.947 21.456 -0.458 191 HG LEU 26 HG LEU 26 -10.251 21.035 1.446 192 HD11 LEU 26 1HD1 LEU 26 -11.037 19.429 -0.206 193 HD12 LEU 26 2HD1 LEU 26 -9.693 19.846 -1.268 194 HD13 LEU 26 3HD1 LEU 26 -10.932 21.046 -0.901 195 HD21 LEU 26 3HD2 LEU 26 -7.827 19.426 0.770 196 HD22 LEU 26 1HD2 LEU 26 -9.335 18.611 1.186 197 HD23 LEU 26 2HD2 LEU 26 -8.583 19.715 2.338 198 H ALA 27 H ALA 27 -6.792 24.416 0.230 199 HA ALA 27 HA ALA 27 -4.370 23.207 -0.687 200 HB1 ALA 27 1HB ALA 27 -5.756 25.736 -1.040 201 HB2 ALA 27 2HB ALA 27 -4.006 25.930 -0.926 202 HB3 ALA 27 3HB ALA 27 -4.697 24.860 -2.146 203 H ARG 28 H ARG 28 -5.314 24.969 2.142 204 HA ARG 28 HA ARG 28 -2.947 26.077 3.016 205 HB2 ARG 28 1HB ARG 28 -5.367 25.966 4.078 206 HB3 ARG 28 2HB ARG 28 -4.661 24.644 4.997 207 HG2 ARG 28 1HG ARG 28 -3.059 26.056 5.992 208 HG3 ARG 28 2HG ARG 28 -3.397 27.363 4.855 209 HD2 ARG 28 1HD ARG 28 -4.541 28.081 6.717 210 HD3 ARG 28 2HD ARG 28 -5.807 27.212 5.849 211 HE ARG 28 HE ARG 28 -5.849 25.650 7.529 212 HH11 ARG 28 1HH1 ARG 28 -3.006 27.633 7.858 213 HH12 ARG 28 2HH1 ARG 28 -2.585 26.999 9.415 214 HH21 ARG 28 1HH2 ARG 28 -5.305 24.808 9.579 215 HH22 ARG 28 2HH2 ARG 28 -3.893 25.392 10.392 216 H LYS 29 H LYS 29 -4.128 22.778 3.661 217 HA LYS 29 HA LYS 29 -1.737 21.963 4.980 218 HB2 LYS 29 1HB LYS 29 -2.709 19.802 5.087 219 HB3 LYS 29 2HB LYS 29 -4.037 20.941 5.268 220 HG2 LYS 29 1HG LYS 29 -4.200 20.624 2.653 221 HG3 LYS 29 2HG LYS 29 -3.406 19.094 3.032 222 HD2 LYS 29 1HD LYS 29 -5.920 20.071 4.380 223 HD3 LYS 29 2HD LYS 29 -5.905 18.987 2.988 224 HE2 LYS 29 1HE LYS 29 -5.991 17.435 4.651 225 HE3 LYS 29 2HE LYS 29 -4.242 17.627 4.542 226 HZ1 LYS 29 3HZ LYS 29 -5.538 19.485 6.331 227 HZ2 LYS 29 1HZ LYS 29 -4.142 18.557 6.558 228 HZ3 LYS 29 2HZ LYS 29 -5.666 17.866 6.806 229 H GLY 30 H GLY 30 -2.602 22.330 1.705 230 HA2 GLY 30 1HA GLY 30 -1.009 22.223 -0.046 231 HA3 GLY 30 2HA GLY 30 -0.071 21.086 0.911 232 H ALA 31 H ALA 31 -3.376 20.370 0.907 233 HA ALA 31 HA ALA 31 -2.966 17.931 -0.511 234 HB1 ALA 31 1HB ALA 31 -5.504 19.232 0.468 235 HB2 ALA 31 2HB ALA 31 -5.387 17.591 -0.169 236 HB3 ALA 31 3HB ALA 31 -4.541 18.022 1.318 237 H GLU 32 H GLU 32 -2.828 17.770 -2.645 238 HA GLU 32 HA GLU 32 -3.828 19.819 -4.391 239 HB2 GLU 32 1HB GLU 32 -2.774 18.630 -6.152 240 HB3 GLU 32 2HB GLU 32 -1.710 18.486 -4.759 241 HG2 GLU 32 1HG GLU 32 -3.049 16.258 -4.380 242 HG3 GLU 32 2HG GLU 32 -3.363 16.419 -6.107 243 H PHE 33 H PHE 33 -5.553 19.745 -5.768 244 HA PHE 33 HA PHE 33 -7.148 17.327 -5.976 245 HB2 PHE 33 1HB PHE 33 -9.235 18.559 -5.320 246 HB3 PHE 33 2HB PHE 33 -8.115 18.269 -3.992 247 HD1 PHE 33 HD2 PHE 33 -9.112 20.855 -6.469 248 HD2 PHE 33 HD1 PHE 33 -7.423 20.025 -2.651 249 HE1 PHE 33 HE2 PHE 33 -9.114 23.259 -5.949 250 HE2 PHE 33 HE1 PHE 33 -7.423 22.429 -2.125 251 HZ PHE 33 HZ PHE 33 -8.268 24.050 -3.776 252 H ASN 34 H ASN 34 -8.532 17.303 -7.756 253 HA ASN 34 HA ASN 34 -7.787 19.099 -9.875 254 HB2 ASN 34 1HB ASN 34 -8.413 16.528 -9.943 255 HB3 ASN 34 2HB ASN 34 -10.042 17.159 -10.162 256 HD21 ASN 34 2HD2 ASN 34 -10.237 16.424 -12.246 257 HD22 ASN 34 1HD2 ASN 34 -9.352 17.101 -13.567 258 H GLU 35 H GLU 35 -8.697 21.009 -10.198 259 HA GLU 35 HA GLU 35 -11.255 21.646 -8.996 260 HB2 GLU 35 1HB GLU 35 -9.571 23.331 -8.807 261 HB3 GLU 35 2HB GLU 35 -9.239 23.282 -10.532 262 HG2 GLU 35 1HG GLU 35 -11.491 24.174 -10.966 263 HG3 GLU 35 2HG GLU 35 -11.758 24.286 -9.227 264 H ILE 36 H ILE 36 -13.138 21.476 -10.004 265 HA ILE 36 HA ILE 36 -13.210 21.695 -12.935 266 HB ILE 36 HB ILE 36 -14.717 19.637 -11.316 267 HG12 ILE 36 1HG1 ILE 36 -12.454 19.334 -13.303 268 HG13 ILE 36 2HG1 ILE 36 -12.349 19.068 -11.566 269 HG21 ILE 36 1HG2 ILE 36 -16.026 20.460 -13.190 270 HG22 ILE 36 2HG2 ILE 36 -14.678 20.161 -14.285 271 HG23 ILE 36 3HG2 ILE 36 -15.487 18.809 -13.494 272 HD11 ILE 36 3HD1 ILE 36 -13.982 17.468 -13.521 273 HD12 ILE 36 1HD1 ILE 36 -12.486 16.964 -12.735 274 HD13 ILE 36 2HD1 ILE 36 -13.946 17.217 -11.776 275 H ASP 37 H ASP 37 -15.043 22.632 -13.804 276 HA ASP 37 HA ASP 37 -16.674 24.130 -11.897 277 HB2 ASP 37 1HB ASP 37 -16.839 24.477 -14.871 278 HB3 ASP 37 2HB ASP 37 -17.093 25.666 -13.596 279 H ALA 38 H ALA 38 -18.941 24.154 -11.967 280 HA ALA 38 HA ALA 38 -20.132 21.806 -13.294 281 HB1 ALA 38 1HB ALA 38 -21.595 22.983 -11.034 282 HB2 ALA 38 2HB ALA 38 -21.281 21.293 -11.432 283 HB3 ALA 38 3HB ALA 38 -20.042 22.253 -10.625 284 H SER 39 H SER 39 -20.547 25.208 -12.489 285 HA SER 39 HA SER 39 -23.126 25.555 -13.550 286 HB2 SER 39 1HB SER 39 -20.836 27.385 -12.940 287 HB3 SER 39 2HB SER 39 -22.201 28.005 -13.868 288 HG SER 39 HG SER 39 -23.098 28.256 -11.988 289 H ALA 40 H ALA 40 -20.133 25.003 -15.078 290 HA ALA 40 HA ALA 40 -20.286 26.380 -17.461 291 HB1 ALA 40 1HB ALA 40 -18.325 25.160 -17.058 292 HB2 ALA 40 2HB ALA 40 -19.208 23.651 -16.822 293 HB3 ALA 40 3HB ALA 40 -19.080 24.355 -18.434 294 H THR 41 H THR 41 -21.933 23.398 -16.533 295 HA THR 41 HA THR 41 -23.704 23.736 -18.850 296 HB THR 41 HB THR 41 -23.708 21.046 -18.685 297 HG1 THR 41 HG1 THR 41 -21.658 20.292 -18.282 298 HG21 THR 41 3HG2 THR 41 -22.333 21.033 -20.679 299 HG22 THR 41 1HG2 THR 41 -21.695 22.629 -20.287 300 HG23 THR 41 2HG2 THR 41 -23.397 22.439 -20.711 301 HA PRO 42 HA PRO 42 -27.021 23.024 -16.066 302 HB2 PRO 42 1HB PRO 42 -28.779 21.649 -17.612 303 HB3 PRO 42 2HB PRO 42 -28.447 23.371 -17.834 304 HG2 PRO 42 1HG PRO 42 -27.361 21.023 -19.340 305 HG3 PRO 42 2HG PRO 42 -27.935 22.582 -19.960 306 HD2 PRO 42 1HD PRO 42 -25.305 22.017 -19.649 307 HD3 PRO 42 2HD PRO 42 -25.960 23.655 -19.449 308 H GLU 43 H GLU 43 -26.014 20.147 -17.888 309 HA GLU 43 HA GLU 43 -27.174 18.280 -16.085 310 HB2 GLU 43 1HB GLU 43 -26.382 17.975 -18.556 311 HB3 GLU 43 2HB GLU 43 -24.825 17.616 -17.825 312 HG2 GLU 43 1HG GLU 43 -26.252 15.962 -16.370 313 HG3 GLU 43 2HG GLU 43 -27.365 16.078 -17.732 314 H LEU 44 H LEU 44 -23.826 19.383 -16.581 315 HA LEU 44 HA LEU 44 -22.577 17.873 -14.630 316 HB2 LEU 44 1HB LEU 44 -22.033 20.508 -15.891 317 HB3 LEU 44 2HB LEU 44 -21.099 20.066 -14.464 318 HG LEU 44 HG LEU 44 -21.226 18.501 -17.041 319 HD11 LEU 44 1HD1 LEU 44 -19.915 20.814 -16.708 320 HD12 LEU 44 2HD1 LEU 44 -19.309 19.492 -17.705 321 HD13 LEU 44 3HD1 LEU 44 -18.713 19.698 -16.058 322 HD21 LEU 44 3HD2 LEU 44 -20.576 17.656 -14.443 323 HD22 LEU 44 1HD2 LEU 44 -19.046 17.844 -15.301 324 HD23 LEU 44 2HD2 LEU 44 -20.304 16.797 -15.960 325 H ARG 45 H ARG 45 -24.360 20.896 -14.309 326 HA ARG 45 HA ARG 45 -23.759 21.112 -11.485 327 HB2 ARG 45 1HB ARG 45 -24.032 23.101 -12.998 328 HB3 ARG 45 2HB ARG 45 -25.744 22.712 -13.105 329 HG2 ARG 45 1HG ARG 45 -25.877 22.941 -10.626 330 HG3 ARG 45 2HG ARG 45 -24.210 23.521 -10.648 331 HD2 ARG 45 1HD ARG 45 -25.357 25.507 -10.716 332 HD3 ARG 45 2HD ARG 45 -25.141 25.192 -12.437 333 HE ARG 45 HE ARG 45 -27.592 24.133 -11.388 334 HH11 ARG 45 1HH1 ARG 45 -26.031 26.966 -12.677 335 HH12 ARG 45 2HH1 ARG 45 -27.507 27.690 -13.224 336 HH21 ARG 45 1HH2 ARG 45 -29.542 25.076 -12.103 337 HH22 ARG 45 2HH2 ARG 45 -29.503 26.615 -12.896 338 H ALA 46 H ALA 46 -26.265 19.835 -13.511 339 HA ALA 46 HA ALA 46 -28.334 19.764 -11.561 340 HB1 ALA 46 1HB ALA 46 -29.107 17.833 -13.219 341 HB2 ALA 46 2HB ALA 46 -29.250 19.543 -13.628 342 HB3 ALA 46 3HB ALA 46 -27.898 18.598 -14.250 343 H GLU 47 H GLU 47 -26.156 17.235 -12.820 344 HA GLU 47 HA GLU 47 -27.009 15.194 -11.101 345 HB2 GLU 47 1HB GLU 47 -24.851 14.103 -11.648 346 HB3 GLU 47 2HB GLU 47 -25.703 14.690 -13.069 347 HG2 GLU 47 1HG GLU 47 -24.142 16.823 -12.502 348 HG3 GLU 47 2HG GLU 47 -23.119 15.501 -11.944 349 H MET 48 H MET 48 -24.697 17.786 -10.666 350 HA MET 48 HA MET 48 -23.601 16.725 -8.231 351 HB2 MET 48 1HB MET 48 -23.168 19.064 -9.941 352 HB3 MET 48 2HB MET 48 -22.990 19.408 -8.225 353 HG2 MET 48 1HG MET 48 -20.849 18.843 -9.007 354 HG3 MET 48 2HG MET 48 -21.427 17.441 -8.109 355 HE1 MET 48 3HE MET 48 -19.170 16.023 -10.957 356 HE2 MET 48 1HE MET 48 -19.092 17.026 -9.508 357 HE3 MET 48 2HE MET 48 -19.814 15.419 -9.430 358 H GLN 49 H GLN 49 -25.708 19.499 -8.995 359 HA GLN 49 HA GLN 49 -26.258 20.183 -6.322 360 HB2 GLN 49 1HB GLN 49 -27.869 21.669 -7.170 361 HB3 GLN 49 2HB GLN 49 -26.649 21.573 -8.433 362 HG2 GLN 49 1HG GLN 49 -28.129 19.799 -9.500 363 HG3 GLN 49 2HG GLN 49 -29.378 20.334 -8.377 364 HE21 GLN 49 2HE2 GLN 49 -30.352 22.305 -8.672 365 HE22 GLN 49 1HE2 GLN 49 -30.140 23.257 -10.098 366 H GLU 50 H GLU 50 -27.452 17.667 -8.333 367 HA GLU 50 HA GLU 50 -29.944 17.257 -7.010 368 HB2 GLU 50 1HB GLU 50 -29.702 16.406 -9.231 369 HB3 GLU 50 2HB GLU 50 -28.264 15.495 -8.791 370 HG2 GLU 50 1HG GLU 50 -30.311 14.118 -9.070 371 HG3 GLU 50 2HG GLU 50 -29.535 13.959 -7.495 372 H ARG 51 H ARG 51 -26.675 16.379 -6.343 373 HA ARG 51 HA ARG 51 -27.340 14.223 -4.544 374 HB2 ARG 51 1HB ARG 51 -24.742 15.675 -5.074 375 HB3 ARG 51 2HB ARG 51 -24.903 14.296 -3.995 376 HG2 ARG 51 1HG ARG 51 -25.437 12.841 -5.779 377 HG3 ARG 51 2HG ARG 51 -25.665 14.186 -6.898 378 HD2 ARG 51 1HD ARG 51 -23.458 14.399 -7.294 379 HD3 ARG 51 2HD ARG 51 -23.023 14.063 -5.618 380 HE ARG 51 HE ARG 51 -22.698 11.876 -6.188 381 HH11 ARG 51 1HH1 ARG 51 -24.607 13.411 -8.661 382 HH12 ARG 51 2HH1 ARG 51 -24.565 12.043 -9.725 383 HH21 ARG 51 1HH2 ARG 51 -22.635 10.069 -7.579 384 HH22 ARG 51 2HH2 ARG 51 -23.444 10.143 -9.108 385 H SER 52 H SER 52 -26.523 17.633 -4.315 386 HA SER 52 HA SER 52 -26.419 17.575 -1.424 387 HB2 SER 52 1HB SER 52 -25.305 19.225 -3.322 388 HB3 SER 52 2HB SER 52 -26.631 20.208 -2.702 389 HG SER 52 HG SER 52 -24.888 18.871 -0.939 390 H GLY 53 H GLY 53 -28.651 18.586 -3.952 391 HA2 GLY 53 1HA GLY 53 -30.970 18.742 -3.783 392 HA3 GLY 53 2HA GLY 53 -30.832 18.536 -2.043 393 H ARG 54 H ARG 54 -29.114 20.938 -3.960 394 HA ARG 54 HA ARG 54 -30.910 23.053 -3.109 395 HB2 ARG 54 1HB ARG 54 -28.030 22.919 -2.206 396 HB3 ARG 54 2HB ARG 54 -29.025 24.365 -2.109 397 HG2 ARG 54 1HG ARG 54 -29.658 21.756 -0.747 398 HG3 ARG 54 2HG ARG 54 -28.866 23.133 0.022 399 HD2 ARG 54 1HD ARG 54 -30.825 24.518 -0.420 400 HD3 ARG 54 2HD ARG 54 -31.613 23.160 -1.223 401 HE ARG 54 HE ARG 54 -30.824 22.586 1.476 402 HH11 ARG 54 1HH1 ARG 54 -33.302 23.974 -0.538 403 HH12 ARG 54 2HH1 ARG 54 -34.565 23.728 0.622 404 HH21 ARG 54 1HH2 ARG 54 -32.479 22.257 3.011 405 HH22 ARG 54 2HH2 ARG 54 -34.096 22.752 2.641 406 H ASN 55 H ASN 55 -29.877 25.259 -3.845 407 HA ASN 55 HA ASN 55 -29.831 25.382 -6.563 408 HB2 ASN 55 1HB ASN 55 -28.274 27.492 -6.096 409 HB3 ASN 55 2HB ASN 55 -29.978 27.481 -5.652 410 HD21 ASN 55 2HD2 ASN 55 -26.819 27.863 -4.568 411 HD22 ASN 55 1HD2 ASN 55 -27.138 27.900 -2.871 412 H THR 56 H THR 56 -26.808 25.951 -4.781 413 HA THR 56 HA THR 56 -25.367 23.973 -6.288 414 HB THR 56 HB THR 56 -24.221 26.678 -6.714 415 HG1 THR 56 HG1 THR 56 -25.544 26.941 -8.594 416 HG21 THR 56 3HG2 THR 56 -23.512 25.663 -8.825 417 HG22 THR 56 1HG2 THR 56 -24.450 24.218 -8.453 418 HG23 THR 56 2HG2 THR 56 -23.061 24.650 -7.455 419 H PHE 57 H PHE 57 -23.619 23.304 -5.184 420 HA PHE 57 HA PHE 57 -22.352 25.078 -3.247 421 HB2 PHE 57 1HB PHE 57 -22.884 23.915 -1.367 422 HB3 PHE 57 2HB PHE 57 -24.292 23.451 -2.317 423 HD1 PHE 57 HD2 PHE 57 -23.695 21.355 -3.964 424 HD2 PHE 57 HD1 PHE 57 -21.900 22.218 -0.202 425 HE1 PHE 57 HE2 PHE 57 -23.080 18.985 -3.717 426 HE2 PHE 57 HE1 PHE 57 -21.281 19.850 0.050 427 HZ PHE 57 HZ PHE 57 -21.872 18.230 -1.708 428 HA PRO 58 HA PRO 58 -18.629 23.079 -4.418 429 HB2 PRO 58 1HB PRO 58 -17.251 22.955 -2.082 430 HB3 PRO 58 2HB PRO 58 -17.526 24.467 -2.956 431 HG2 PRO 58 1HG PRO 58 -18.986 23.354 -0.592 432 HG3 PRO 58 2HG PRO 58 -18.450 25.017 -0.895 433 HD2 PRO 58 1HD PRO 58 -21.008 24.216 -1.281 434 HD3 PRO 58 2HD PRO 58 -20.243 25.477 -2.269 435 H GLN 59 H GLN 59 -18.258 21.022 -4.930 436 HA GLN 59 HA GLN 59 -19.055 18.928 -3.025 437 HB2 GLN 59 1HB GLN 59 -19.228 19.195 -5.939 438 HB3 GLN 59 2HB GLN 59 -18.593 17.642 -5.411 439 HG2 GLN 59 1HG GLN 59 -20.651 16.955 -5.013 440 HG3 GLN 59 2HG GLN 59 -20.823 18.210 -3.786 441 HE21 GLN 59 2HE2 GLN 59 -20.755 20.466 -5.377 442 HE22 GLN 59 1HE2 GLN 59 -22.164 20.499 -6.375 443 H ILE 60 H ILE 60 -17.562 17.648 -2.142 444 HA ILE 60 HA ILE 60 -14.831 17.747 -3.249 445 HB ILE 60 HB ILE 60 -15.762 17.534 -0.393 446 HG12 ILE 60 1HG1 ILE 60 -14.015 19.412 -0.208 447 HG13 ILE 60 2HG1 ILE 60 -14.067 19.465 -1.967 448 HG21 ILE 60 1HG2 ILE 60 -14.093 15.866 -0.543 449 HG22 ILE 60 2HG2 ILE 60 -13.067 16.881 -1.556 450 HG23 ILE 60 3HG2 ILE 60 -13.306 17.287 0.144 451 HD11 ILE 60 3HD1 ILE 60 -16.556 19.711 -0.324 452 HD12 ILE 60 1HD1 ILE 60 -15.529 21.102 -0.669 453 HD13 ILE 60 2HD1 ILE 60 -16.275 20.205 -1.993 454 H PHE 61 H PHE 61 -14.709 15.937 -4.464 455 HA PHE 61 HA PHE 61 -15.707 13.412 -3.387 456 HB2 PHE 61 1HB PHE 61 -14.459 13.905 -6.094 457 HB3 PHE 61 2HB PHE 61 -15.419 12.516 -5.597 458 HD1 PHE 61 HD2 PHE 61 -17.804 13.364 -4.520 459 HD2 PHE 61 HD1 PHE 61 -15.523 15.312 -7.541 460 HE1 PHE 61 HE2 PHE 61 -19.840 14.481 -5.333 461 HE2 PHE 61 HE1 PHE 61 -17.556 16.432 -8.358 462 HZ PHE 61 HZ PHE 61 -19.718 16.016 -7.254 463 H ILE 62 H ILE 62 -14.376 12.288 -2.138 464 HA ILE 62 HA ILE 62 -11.499 12.299 -2.781 465 HB ILE 62 HB ILE 62 -12.829 11.906 -0.098 466 HG12 ILE 62 1HG1 ILE 62 -11.044 14.103 -1.167 467 HG13 ILE 62 2HG1 ILE 62 -12.763 14.241 -0.813 468 HG21 ILE 62 1HG2 ILE 62 -10.541 11.785 0.799 469 HG22 ILE 62 2HG2 ILE 62 -10.903 10.452 -0.297 470 HG23 ILE 62 3HG2 ILE 62 -9.911 11.802 -0.848 471 HD11 ILE 62 3HD1 ILE 62 -12.097 13.582 1.581 472 HD12 ILE 62 1HD1 ILE 62 -10.463 14.013 1.079 473 HD13 ILE 62 2HD1 ILE 62 -11.750 15.218 1.021 474 H GLY 63 H GLY 63 -10.875 10.467 -3.707 475 HA2 GLY 63 1HA GLY 63 -10.594 8.222 -4.106 476 HA3 GLY 63 2HA GLY 63 -11.241 7.940 -2.496 477 H SER 64 H SER 64 -13.192 7.028 -2.315 478 HA SER 64 HA SER 64 -14.872 6.904 -4.734 479 HB2 SER 64 1HB SER 64 -13.690 4.741 -4.006 480 HB3 SER 64 2HB SER 64 -14.800 4.741 -2.636 481 HG SER 64 HG SER 64 -15.364 4.471 -5.382 482 H VAL 65 H VAL 65 -14.749 8.510 -2.053 483 HA VAL 65 HA VAL 65 -17.614 8.188 -1.432 484 HB VAL 65 HB VAL 65 -15.524 9.138 0.526 485 HG11 VAL 65 1HG1 VAL 65 -17.538 8.314 2.047 486 HG12 VAL 65 2HG1 VAL 65 -17.473 9.948 1.383 487 HG13 VAL 65 3HG1 VAL 65 -18.460 8.715 0.599 488 HG21 VAL 65 3HG2 VAL 65 -16.511 6.677 1.385 489 HG22 VAL 65 1HG2 VAL 65 -16.162 6.457 -0.330 490 HG23 VAL 65 2HG2 VAL 65 -14.896 7.015 0.763 491 H HIS 66 H HIS 66 -18.783 10.089 -0.943 492 HA HIS 66 HA HIS 66 -17.603 12.501 -2.124 493 HB2 HIS 66 1HB HIS 66 -19.672 11.766 -3.167 494 HB3 HIS 66 2HB HIS 66 -20.490 11.758 -1.607 495 HD1 HIS 66 HD1 HIS 66 -22.232 13.464 -2.511 496 HD2 HIS 66 HD2 HIS 66 -18.321 14.865 -2.451 497 HE1 HIS 66 HE1 HIS 66 -22.404 15.951 -2.844 498 H VAL 67 H VAL 67 -16.534 13.521 -0.502 499 HA VAL 67 HA VAL 67 -17.157 13.625 2.181 500 HB VAL 67 HB VAL 67 -15.837 15.746 0.485 501 HG11 VAL 67 1HG1 VAL 67 -16.483 15.658 3.361 502 HG12 VAL 67 2HG1 VAL 67 -14.839 16.153 2.952 503 HG13 VAL 67 3HG1 VAL 67 -16.216 17.039 2.297 504 HG21 VAL 67 3HG2 VAL 67 -14.364 14.014 0.362 505 HG22 VAL 67 1HG2 VAL 67 -13.849 14.695 1.905 506 HG23 VAL 67 2HG2 VAL 67 -14.915 13.291 1.873 507 H GLY 68 H GLY 68 -17.573 16.539 0.196 508 HA2 GLY 68 1HA GLY 68 -20.254 16.972 0.304 509 HA3 GLY 68 2HA GLY 68 -19.709 17.444 1.907 510 H GLY 69 H GLY 69 -19.465 19.563 2.087 511 HA2 GLY 69 1HA GLY 69 -18.114 21.009 -0.083 512 HA3 GLY 69 2HA GLY 69 -19.679 21.589 0.466 513 H CYS 70 H CYS 70 -19.154 23.490 1.397 514 HA CYS 70 HA CYS 70 -16.824 23.988 2.888 515 HB2 CYS 70 1HB CYS 70 -18.033 26.020 3.680 516 HB3 CYS 70 2HB CYS 70 -18.068 25.821 1.933 517 HG CYS 70 HG CYS 70 -20.534 26.781 3.268 518 H ASP 71 H ASP 71 -20.025 22.875 3.821 519 HA ASP 71 HA ASP 71 -19.641 23.127 6.624 520 HB2 ASP 71 1HB ASP 71 -21.871 22.963 5.531 521 HB3 ASP 71 2HB ASP 71 -21.528 21.278 5.151 522 H ASP 72 H ASP 72 -19.447 20.347 4.413 523 HA ASP 72 HA ASP 72 -18.645 18.490 6.392 524 HB2 ASP 72 1HB ASP 72 -18.473 18.502 3.385 525 HB3 ASP 72 2HB ASP 72 -17.833 17.170 4.343 526 H LEU 73 H LEU 73 -16.859 20.576 4.181 527 HA LEU 73 HA LEU 73 -14.295 19.511 4.695 528 HB2 LEU 73 1HB LEU 73 -14.990 21.017 2.789 529 HB3 LEU 73 2HB LEU 73 -14.909 22.356 3.932 530 HG LEU 73 HG LEU 73 -12.912 22.040 2.410 531 HD11 LEU 73 1HD1 LEU 73 -13.107 22.830 5.088 532 HD12 LEU 73 2HD1 LEU 73 -11.851 23.259 3.927 533 HD13 LEU 73 3HD1 LEU 73 -11.639 21.858 4.977 534 HD21 LEU 73 3HD2 LEU 73 -12.359 19.731 4.271 535 HD22 LEU 73 1HD2 LEU 73 -11.302 20.338 2.996 536 HD23 LEU 73 2HD2 LEU 73 -12.838 19.577 2.580 537 H TYR 74 H TYR 74 -16.078 22.221 6.125 538 HA TYR 74 HA TYR 74 -13.987 22.986 7.897 539 HB2 TYR 74 1HB TYR 74 -16.856 23.690 7.539 540 HB3 TYR 74 2HB TYR 74 -16.125 24.044 9.100 541 HD1 TYR 74 HD1 TYR 74 -14.347 24.171 5.863 542 HD2 TYR 74 HD2 TYR 74 -16.178 26.416 8.978 543 HE1 TYR 74 HE1 TYR 74 -13.379 26.233 4.937 544 HE2 TYR 74 HE2 TYR 74 -15.216 28.485 8.060 545 HH TYR 74 HH TYR 74 -14.402 29.266 5.739 546 H ALA 75 H ALA 75 -16.677 20.756 8.091 547 HA ALA 75 HA ALA 75 -16.505 20.344 10.917 548 HB1 ALA 75 1HB ALA 75 -17.982 18.387 10.453 549 HB2 ALA 75 2HB ALA 75 -18.596 19.923 9.840 550 HB3 ALA 75 3HB ALA 75 -17.855 18.766 8.735 551 H LEU 76 H LEU 76 -15.095 18.843 8.079 552 HA LEU 76 HA LEU 76 -14.031 16.592 9.516 553 HB2 LEU 76 1HB LEU 76 -13.813 17.650 6.738 554 HB3 LEU 76 2HB LEU 76 -12.630 16.471 7.299 555 HG LEU 76 HG LEU 76 -14.889 15.801 6.029 556 HD11 LEU 76 1HD1 LEU 76 -13.046 14.307 6.609 557 HD12 LEU 76 2HD1 LEU 76 -14.607 13.568 6.962 558 HD13 LEU 76 3HD1 LEU 76 -13.628 14.228 8.272 559 HD21 LEU 76 3HD2 LEU 76 -16.584 15.070 7.553 560 HD22 LEU 76 1HD2 LEU 76 -16.271 16.779 7.858 561 HD23 LEU 76 2HD2 LEU 76 -15.614 15.555 8.945 562 H GLU 77 H GLU 77 -12.647 19.532 8.062 563 HA GLU 77 HA GLU 77 -9.993 19.119 8.777 564 HB2 GLU 77 1HB GLU 77 -9.628 21.397 8.313 565 HB3 GLU 77 2HB GLU 77 -10.974 20.937 7.280 566 HG2 GLU 77 1HG GLU 77 -11.816 22.871 8.083 567 HG3 GLU 77 2HG GLU 77 -12.366 21.800 9.370 568 H ASP 78 H ASP 78 -12.696 20.231 10.681 569 HA ASP 78 HA ASP 78 -11.286 21.357 12.837 570 HB2 ASP 78 1HB ASP 78 -13.850 21.340 12.252 571 HB3 ASP 78 2HB ASP 78 -13.867 19.906 13.275 572 H GLU 79 H GLU 79 -12.025 18.055 11.991 573 HA GLU 79 HA GLU 79 -11.030 17.091 14.567 574 HB2 GLU 79 1HB GLU 79 -12.062 15.399 12.297 575 HB3 GLU 79 2HB GLU 79 -11.926 14.968 13.996 576 HG2 GLU 79 1HG GLU 79 -13.582 17.099 14.149 577 HG3 GLU 79 2HG GLU 79 -14.034 16.434 12.580 578 H GLY 80 H GLY 80 -10.042 17.541 11.311 579 HA2 GLY 80 1HA GLY 80 -7.891 17.352 10.452 580 HA3 GLY 80 2HA GLY 80 -7.396 16.561 11.941 581 H LYS 81 H LYS 81 -10.165 15.423 10.176 582 HA LYS 81 HA LYS 81 -8.879 12.861 9.790 583 HB2 LYS 81 1HB LYS 81 -11.664 13.754 9.023 584 HB3 LYS 81 2HB LYS 81 -11.077 12.097 9.052 585 HG2 LYS 81 1HG LYS 81 -11.060 13.795 11.519 586 HG3 LYS 81 2HG LYS 81 -12.502 12.912 11.013 587 HD2 LYS 81 1HD LYS 81 -11.552 11.340 12.371 588 HD3 LYS 81 2HD LYS 81 -10.774 10.913 10.845 589 HE2 LYS 81 1HE LYS 81 -8.745 11.768 11.483 590 HE3 LYS 81 2HE LYS 81 -9.464 12.939 12.587 591 HZ1 LYS 81 3HZ LYS 81 -8.876 11.532 14.188 592 HZ2 LYS 81 1HZ LYS 81 -8.557 10.274 13.102 593 HZ3 LYS 81 2HZ LYS 81 -10.133 10.529 13.661 594 H LEU 82 H LEU 82 -9.579 15.674 7.930 595 HA LEU 82 HA LEU 82 -9.789 14.713 5.353 596 HB2 LEU 82 1HB LEU 82 -8.310 17.162 6.304 597 HB3 LEU 82 2HB LEU 82 -8.783 16.849 4.635 598 HG LEU 82 HG LEU 82 -10.706 17.205 6.933 599 HD11 LEU 82 1HD1 LEU 82 -9.541 19.279 6.496 600 HD12 LEU 82 2HD1 LEU 82 -11.195 19.380 5.892 601 HD13 LEU 82 3HD1 LEU 82 -9.860 19.125 4.768 602 HD21 LEU 82 3HD2 LEU 82 -12.227 17.608 4.850 603 HD22 LEU 82 1HD2 LEU 82 -11.882 15.966 5.392 604 HD23 LEU 82 2HD2 LEU 82 -11.008 16.643 4.017 605 H ASP 83 H ASP 83 -6.943 15.002 7.376 606 HA ASP 83 HA ASP 83 -4.975 14.643 5.408 607 HB2 ASP 83 1HB ASP 83 -4.224 15.375 7.521 608 HB3 ASP 83 2HB ASP 83 -5.049 14.066 8.362 609 H SER 84 H SER 84 -6.737 12.294 7.395 610 HA SER 84 HA SER 84 -5.397 10.050 6.178 611 HB2 SER 84 1HB SER 84 -6.462 10.283 8.585 612 HB3 SER 84 2HB SER 84 -7.921 9.742 7.755 613 HG SER 84 HG SER 84 -6.421 8.094 8.694 614 H LEU 85 H LEU 85 -8.289 11.880 5.648 615 HA LEU 85 HA LEU 85 -9.706 9.942 4.130 616 HB2 LEU 85 1HB LEU 85 -9.939 12.828 4.693 617 HB3 LEU 85 2HB LEU 85 -10.678 12.273 3.193 618 HG LEU 85 HG LEU 85 -12.320 12.359 4.974 619 HD11 LEU 85 1HD1 LEU 85 -11.666 10.028 3.453 620 HD12 LEU 85 2HD1 LEU 85 -13.249 10.645 3.922 621 HD13 LEU 85 3HD1 LEU 85 -12.378 9.548 4.993 622 HD21 LEU 85 3HD2 LEU 85 -10.314 10.669 6.421 623 HD22 LEU 85 1HD2 LEU 85 -12.028 10.593 6.831 624 HD23 LEU 85 2HD2 LEU 85 -11.155 12.119 6.971 625 H LEU 86 H LEU 86 -7.425 12.503 3.307 626 HA LEU 86 HA LEU 86 -7.681 12.030 0.469 627 HB2 LEU 86 1HB LEU 86 -5.903 13.701 0.257 628 HB3 LEU 86 2HB LEU 86 -7.244 14.273 1.246 629 HG LEU 86 HG LEU 86 -5.671 13.425 3.207 630 HD11 LEU 86 1HD1 LEU 86 -3.476 14.507 1.614 631 HD12 LEU 86 2HD1 LEU 86 -4.028 12.918 1.084 632 HD13 LEU 86 3HD1 LEU 86 -3.500 13.158 2.750 633 HD21 LEU 86 3HD2 LEU 86 -4.838 15.714 3.407 634 HD22 LEU 86 1HD2 LEU 86 -6.539 15.689 2.944 635 HD23 LEU 86 2HD2 LEU 86 -5.302 16.033 1.735 636 H LYS 87 H LYS 87 -5.747 10.876 3.074 637 HA LYS 87 HA LYS 87 -3.576 9.935 1.432 638 HB2 LYS 87 1HB LYS 87 -4.285 9.869 4.309 639 HB3 LYS 87 2HB LYS 87 -3.264 8.559 3.730 640 HG2 LYS 87 1HG LYS 87 -1.919 10.566 2.656 641 HG3 LYS 87 2HG LYS 87 -2.683 11.457 3.975 642 HD2 LYS 87 1HD LYS 87 -1.826 9.278 5.309 643 HD3 LYS 87 2HD LYS 87 -0.595 9.370 4.047 644 HE2 LYS 87 1HE LYS 87 -0.617 11.930 4.749 645 HE3 LYS 87 2HE LYS 87 -1.195 11.249 6.269 646 HZ1 LYS 87 3HZ LYS 87 1.180 11.420 6.327 647 HZ2 LYS 87 1HZ LYS 87 1.336 10.568 4.874 648 HZ3 LYS 87 2HZ LYS 87 0.767 9.781 6.259 649 H THR 88 H THR 88 -6.295 8.431 3.158 650 HA THR 88 HA THR 88 -5.727 5.861 1.921 651 HB THR 88 HB THR 88 -7.413 4.934 3.327 652 HG1 THR 88 HG1 THR 88 -8.149 7.564 4.128 653 HG21 THR 88 3HG2 THR 88 -5.350 5.451 4.496 654 HG22 THR 88 1HG2 THR 88 -6.722 5.698 5.574 655 HG23 THR 88 2HG2 THR 88 -5.921 7.084 4.835 656 H GLY 89 H GLY 89 -8.180 8.401 1.809 657 HA2 GLY 89 1HA GLY 89 -9.475 8.960 -0.061 658 HA3 GLY 89 2HA GLY 89 -9.012 7.439 -0.809 659 H LYS 90 H LYS 90 -10.059 7.141 2.412 660 HA LYS 90 HA LYS 90 -12.844 6.690 1.668 661 HB2 LYS 90 1HB LYS 90 -11.121 4.558 2.944 662 HB3 LYS 90 2HB LYS 90 -12.858 4.447 2.685 663 HG2 LYS 90 1HG LYS 90 -12.181 3.315 0.853 664 HG3 LYS 90 2HG LYS 90 -12.107 4.944 0.179 665 HD2 LYS 90 1HD LYS 90 -9.836 4.966 0.133 666 HD3 LYS 90 2HD LYS 90 -9.690 3.974 1.585 667 HE2 LYS 90 1HE LYS 90 -10.485 2.983 -1.152 668 HE3 LYS 90 2HE LYS 90 -8.891 2.803 -0.420 669 HZ1 LYS 90 3HZ LYS 90 -10.553 1.782 1.458 670 HZ2 LYS 90 1HZ LYS 90 -9.674 0.874 0.334 671 HZ3 LYS 90 2HZ LYS 90 -11.285 1.280 0.018 672 H LEU 91 H LEU 91 -14.133 6.033 3.687 673 HA LEU 91 HA LEU 91 -13.403 7.890 5.802 674 HB2 LEU 91 1HB LEU 91 -15.887 6.440 5.013 675 HB3 LEU 91 2HB LEU 91 -15.731 7.045 6.660 676 HG LEU 91 HG LEU 91 -15.390 8.838 4.272 677 HD11 LEU 91 1HD1 LEU 91 -17.686 7.499 4.627 678 HD12 LEU 91 2HD1 LEU 91 -17.610 9.154 4.022 679 HD13 LEU 91 3HD1 LEU 91 -17.958 8.853 5.724 680 HD21 LEU 91 3HD2 LEU 91 -16.482 10.248 6.357 681 HD22 LEU 91 1HD2 LEU 91 -14.773 10.207 5.925 682 HD23 LEU 91 2HD2 LEU 91 -15.393 9.126 7.173 683 H ILE 92 H ILE 92 -12.321 7.244 7.531 684 HA ILE 92 HA ILE 92 -12.349 4.402 8.254 685 HB ILE 92 HB ILE 92 -10.489 6.593 9.183 686 HG12 ILE 92 1HG1 ILE 92 -9.976 4.323 7.251 687 HG13 ILE 92 2HG1 ILE 92 -10.282 5.988 6.771 688 HG21 ILE 92 1HG2 ILE 92 -10.665 4.891 10.863 689 HG22 ILE 92 2HG2 ILE 92 -10.473 3.618 9.658 690 HG23 ILE 92 3HG2 ILE 92 -9.124 4.692 10.028 691 HD11 ILE 92 3HD1 ILE 92 -7.829 4.768 7.468 692 HD12 ILE 92 1HD1 ILE 92 -8.130 6.432 6.967 693 HD13 ILE 92 2HD1 ILE 92 -8.188 6.000 8.676 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -0.214 3.303 6.678 2 HA2 GLY 1 1HA GLY 1 2.109 3.369 5.299 3 HA3 GLY 1 2HA GLY 1 0.556 3.177 4.499 4 HA PRO 2 HA PRO 2 1.651 7.895 4.303 5 HB2 PRO 2 1HB PRO 2 4.194 8.558 4.983 6 HB3 PRO 2 2HB PRO 2 2.864 8.533 6.147 7 HG2 PRO 2 1HG PRO 2 4.973 6.471 5.636 8 HG3 PRO 2 2HG PRO 2 4.337 7.062 7.182 9 HD2 PRO 2 1HD PRO 2 3.542 4.721 6.077 10 HD3 PRO 2 2HD PRO 2 2.461 5.727 7.063 11 H GLY 3 H GLY 3 2.387 8.901 2.452 12 HA2 GLY 3 1HA GLY 3 4.006 9.196 0.696 13 HA3 GLY 3 2HA GLY 3 4.480 7.517 0.909 14 H SER 4 H SER 4 1.175 8.725 0.696 15 HA SER 4 HA SER 4 0.927 7.668 -2.017 16 HB2 SER 4 1HB SER 4 -0.982 6.831 0.173 17 HB3 SER 4 2HB SER 4 -0.942 6.253 -1.493 18 HG SER 4 HG SER 4 0.297 5.224 0.577 19 H MET 5 H MET 5 -1.527 7.995 -2.695 20 HA MET 5 HA MET 5 -2.918 10.182 -1.536 21 HB2 MET 5 1HB MET 5 -0.973 11.366 -2.578 22 HB3 MET 5 2HB MET 5 -1.514 10.779 -4.144 23 HG2 MET 5 1HG MET 5 -3.309 12.185 -4.211 24 HG3 MET 5 2HG MET 5 -3.447 12.270 -2.457 25 HE1 MET 5 3HE MET 5 -2.940 15.499 -4.612 26 HE2 MET 5 1HE MET 5 -1.621 14.724 -5.490 27 HE3 MET 5 2HE MET 5 -3.159 13.885 -5.289 28 H VAL 6 H VAL 6 -4.945 10.503 -2.465 29 HA VAL 6 HA VAL 6 -5.668 8.531 -4.532 30 HB VAL 6 HB VAL 6 -7.977 8.683 -3.644 31 HG11 VAL 6 1HG1 VAL 6 -7.565 6.997 -2.223 32 HG12 VAL 6 2HG1 VAL 6 -5.878 7.232 -2.684 33 HG13 VAL 6 3HG1 VAL 6 -6.504 7.978 -1.213 34 HG21 VAL 6 3HG2 VAL 6 -8.614 10.175 -2.108 35 HG22 VAL 6 1HG2 VAL 6 -7.216 9.839 -1.086 36 HG23 VAL 6 2HG2 VAL 6 -7.079 10.986 -2.419 37 H ASP 7 H ASP 7 -7.419 9.146 -5.999 38 HA ASP 7 HA ASP 7 -6.945 11.697 -7.162 39 HB2 ASP 7 1HB ASP 7 -8.869 9.459 -7.730 40 HB3 ASP 7 2HB ASP 7 -8.996 10.993 -8.587 41 H VAL 8 H VAL 8 -7.678 13.544 -6.360 42 HA VAL 8 HA VAL 8 -10.297 13.568 -5.016 43 HB VAL 8 HB VAL 8 -8.029 15.550 -4.781 44 HG11 VAL 8 1HG1 VAL 8 -10.644 15.399 -3.284 45 HG12 VAL 8 2HG1 VAL 8 -9.343 16.555 -2.990 46 HG13 VAL 8 3HG1 VAL 8 -10.228 16.591 -4.515 47 HG21 VAL 8 3HG2 VAL 8 -8.161 14.616 -2.345 48 HG22 VAL 8 1HG2 VAL 8 -8.895 13.218 -3.132 49 HG23 VAL 8 2HG2 VAL 8 -7.269 13.732 -3.584 50 H ILE 9 H ILE 9 -11.936 14.634 -5.917 51 HA ILE 9 HA ILE 9 -11.335 16.586 -8.043 52 HB ILE 9 HB ILE 9 -13.772 14.811 -7.997 53 HG12 ILE 9 1HG1 ILE 9 -11.202 14.459 -9.556 54 HG13 ILE 9 2HG1 ILE 9 -11.768 13.422 -8.252 55 HG21 ILE 9 1HG2 ILE 9 -13.008 15.758 -10.576 56 HG22 ILE 9 2HG2 ILE 9 -14.486 16.078 -9.671 57 HG23 ILE 9 3HG2 ILE 9 -13.081 17.122 -9.461 58 HD11 ILE 9 3HD1 ILE 9 -13.884 13.357 -9.954 59 HD12 ILE 9 1HD1 ILE 9 -12.526 13.487 -11.072 60 HD13 ILE 9 2HD1 ILE 9 -12.584 12.166 -9.904 61 H ILE 10 H ILE 10 -12.319 18.519 -7.913 62 HA ILE 10 HA ILE 10 -14.423 18.851 -5.876 63 HB ILE 10 HB ILE 10 -12.318 19.867 -5.125 64 HG12 ILE 10 1HG1 ILE 10 -14.132 22.135 -5.896 65 HG13 ILE 10 2HG1 ILE 10 -14.681 20.894 -4.774 66 HG21 ILE 10 1HG2 ILE 10 -11.414 21.826 -6.328 67 HG22 ILE 10 2HG2 ILE 10 -11.290 20.333 -7.258 68 HG23 ILE 10 3HG2 ILE 10 -12.546 21.510 -7.642 69 HD11 ILE 10 3HD1 ILE 10 -13.873 22.660 -3.457 70 HD12 ILE 10 1HD1 ILE 10 -12.627 21.414 -3.404 71 HD13 ILE 10 2HD1 ILE 10 -12.416 22.829 -4.436 72 H TYR 11 H TYR 11 -16.220 19.943 -6.455 73 HA TYR 11 HA TYR 11 -16.293 21.048 -9.186 74 HB2 TYR 11 1HB TYR 11 -18.135 19.299 -7.695 75 HB3 TYR 11 2HB TYR 11 -18.915 20.618 -8.561 76 HD1 TYR 11 HD1 TYR 11 -16.256 18.056 -9.173 77 HD2 TYR 11 HD2 TYR 11 -19.607 20.178 -10.712 78 HE1 TYR 11 HE1 TYR 11 -16.107 16.765 -11.261 79 HE2 TYR 11 HE2 TYR 11 -19.468 18.892 -12.804 80 HH TYR 11 HH TYR 11 -16.866 16.551 -13.352 81 H THR 12 H THR 12 -16.421 23.180 -9.254 82 HA THR 12 HA THR 12 -18.103 24.576 -7.299 83 HB THR 12 HB THR 12 -16.494 26.246 -6.816 84 HG1 THR 12 HG1 THR 12 -14.905 26.697 -8.146 85 HG21 THR 12 3HG2 THR 12 -14.795 23.770 -6.819 86 HG22 THR 12 1HG2 THR 12 -16.200 23.916 -5.764 87 HG23 THR 12 2HG2 THR 12 -14.866 25.061 -5.620 88 H ARG 13 H ARG 13 -18.351 26.956 -7.981 89 HA ARG 13 HA ARG 13 -18.589 27.088 -10.915 90 HB2 ARG 13 1HB ARG 13 -20.674 28.147 -10.749 91 HB3 ARG 13 2HB ARG 13 -20.749 26.863 -9.550 92 HG2 ARG 13 1HG ARG 13 -21.526 28.504 -8.231 93 HG3 ARG 13 2HG ARG 13 -19.813 28.873 -8.026 94 HD2 ARG 13 1HD ARG 13 -20.114 30.876 -8.935 95 HD3 ARG 13 2HD ARG 13 -20.741 30.134 -10.406 96 HE ARG 13 HE ARG 13 -22.267 31.334 -8.272 97 HH11 ARG 13 1HH1 ARG 13 -22.309 29.165 -10.995 98 HH12 ARG 13 2HH1 ARG 13 -24.017 29.308 -11.249 99 HH21 ARG 13 1HH2 ARG 13 -24.517 31.531 -8.597 100 HH22 ARG 13 2HH2 ARG 13 -25.271 30.655 -9.885 101 HA PRO 14 HA PRO 14 -16.295 30.829 -10.864 102 HB2 PRO 14 1HB PRO 14 -17.459 32.200 -12.897 103 HB3 PRO 14 2HB PRO 14 -16.415 30.798 -13.159 104 HG2 PRO 14 1HG PRO 14 -19.404 30.955 -13.135 105 HG3 PRO 14 2HG PRO 14 -18.339 30.080 -14.249 106 HD2 PRO 14 1HD PRO 14 -19.629 28.859 -12.206 107 HD3 PRO 14 2HD PRO 14 -18.036 28.327 -12.783 108 H GLY 15 H GLY 15 -17.406 31.279 -8.705 109 HA2 GLY 15 1HA GLY 15 -17.859 33.702 -7.996 110 HA3 GLY 15 2HA GLY 15 -19.326 33.502 -8.942 111 H CYS 16 H CYS 16 -17.557 31.749 -6.387 112 HA CYS 16 HA CYS 16 -19.991 31.705 -4.782 113 HB2 CYS 16 1HB CYS 16 -19.679 29.246 -4.342 114 HB3 CYS 16 2HB CYS 16 -20.225 29.639 -5.969 115 HA PRO 17 HA PRO 17 -16.839 32.621 -1.781 116 HB2 PRO 17 1HB PRO 17 -18.513 32.794 0.350 117 HB3 PRO 17 2HB PRO 17 -18.363 34.074 -0.861 118 HG2 PRO 17 1HG PRO 17 -20.445 31.938 -0.610 119 HG3 PRO 17 2HG PRO 17 -20.647 33.659 -0.991 120 HD2 PRO 17 1HD PRO 17 -20.683 31.732 -2.893 121 HD3 PRO 17 2HD PRO 17 -20.064 33.367 -3.202 122 H TYR 18 H TYR 18 -19.397 30.257 -1.026 123 HA TYR 18 HA TYR 18 -18.175 28.918 1.054 124 HB2 TYR 18 1HB TYR 18 -19.889 27.704 -1.123 125 HB3 TYR 18 2HB TYR 18 -19.571 26.990 0.453 126 HD1 TYR 18 HD2 TYR 18 -20.518 28.032 2.495 127 HD2 TYR 18 HD1 TYR 18 -21.525 29.421 -1.398 128 HE1 TYR 18 HE2 TYR 18 -22.468 29.207 3.425 129 HE2 TYR 18 HE1 TYR 18 -23.477 30.602 -0.479 130 HH TYR 18 HH TYR 18 -24.621 30.072 2.689 131 H CYS 19 H CYS 19 -17.640 28.599 -2.404 132 HA CYS 19 HA CYS 19 -16.013 26.269 -2.245 133 HB2 CYS 19 1HB CYS 19 -15.872 28.315 -4.451 134 HB3 CYS 19 2HB CYS 19 -15.597 26.579 -4.550 135 H ALA 20 H ALA 20 -15.274 29.730 -2.590 136 HA ALA 20 HA ALA 20 -12.536 29.645 -2.771 137 HB1 ALA 20 1HB ALA 20 -12.523 31.880 -1.755 138 HB2 ALA 20 2HB ALA 20 -13.797 31.710 -2.962 139 HB3 ALA 20 3HB ALA 20 -14.196 31.648 -1.245 140 H ARG 21 H ARG 21 -14.512 29.505 0.169 141 HA ARG 21 HA ARG 21 -12.329 29.477 1.978 142 HB2 ARG 21 1HB ARG 21 -15.247 29.028 2.121 143 HB3 ARG 21 2HB ARG 21 -14.295 28.236 3.370 144 HG2 ARG 21 1HG ARG 21 -14.544 30.176 4.457 145 HG3 ARG 21 2HG ARG 21 -13.226 30.721 3.418 146 HD2 ARG 21 1HD ARG 21 -15.231 31.239 1.769 147 HD3 ARG 21 2HD ARG 21 -16.135 31.320 3.281 148 HE ARG 21 HE ARG 21 -15.146 33.330 3.691 149 HH11 ARG 21 1HH1 ARG 21 -13.191 31.584 1.400 150 HH12 ARG 21 2HH1 ARG 21 -12.088 32.895 1.145 151 HH21 ARG 21 1HH2 ARG 21 -13.700 35.064 3.364 152 HH22 ARG 21 2HH2 ARG 21 -12.378 34.874 2.263 153 H ALA 22 H ALA 22 -14.327 26.897 0.577 154 HA ALA 22 HA ALA 22 -13.163 24.740 1.922 155 HB1 ALA 22 1HB ALA 22 -14.100 24.432 -0.894 156 HB2 ALA 22 2HB ALA 22 -14.344 23.375 0.497 157 HB3 ALA 22 3HB ALA 22 -15.255 24.879 0.363 158 H LYS 23 H LYS 23 -12.467 25.919 -1.375 159 HA LYS 23 HA LYS 23 -10.312 24.227 -1.894 160 HB2 LYS 23 1HB LYS 23 -10.580 27.049 -2.932 161 HB3 LYS 23 2HB LYS 23 -9.758 25.698 -3.702 162 HG2 LYS 23 1HG LYS 23 -12.305 24.742 -3.408 163 HG3 LYS 23 2HG LYS 23 -12.572 26.454 -3.745 164 HD2 LYS 23 1HD LYS 23 -10.905 24.565 -5.408 165 HD3 LYS 23 2HD LYS 23 -12.531 25.127 -5.804 166 HE2 LYS 23 1HE LYS 23 -11.055 27.442 -5.296 167 HE3 LYS 23 2HE LYS 23 -9.981 26.409 -6.239 168 HZ1 LYS 23 3HZ LYS 23 -11.130 26.880 -8.055 169 HZ2 LYS 23 1HZ LYS 23 -12.084 27.960 -7.169 170 HZ3 LYS 23 2HZ LYS 23 -12.573 26.351 -7.349 171 H ALA 24 H ALA 24 -10.321 27.530 -0.577 172 HA ALA 24 HA ALA 24 -7.590 27.921 -0.342 173 HB1 ALA 24 1HB ALA 24 -8.176 29.469 1.541 174 HB2 ALA 24 2HB ALA 24 -9.072 29.743 0.046 175 HB3 ALA 24 3HB ALA 24 -9.842 28.908 1.395 176 H LEU 25 H LEU 25 -9.814 26.362 1.939 177 HA LEU 25 HA LEU 25 -7.913 25.902 3.972 178 HB2 LEU 25 1HB LEU 25 -10.327 25.810 4.345 179 HB3 LEU 25 2HB LEU 25 -10.433 24.381 3.320 180 HG LEU 25 HG LEU 25 -9.026 23.161 4.966 181 HD11 LEU 25 1HD1 LEU 25 -8.628 24.095 7.146 182 HD12 LEU 25 2HD1 LEU 25 -9.463 25.584 6.704 183 HD13 LEU 25 3HD1 LEU 25 -7.937 25.166 5.927 184 HD21 LEU 25 3HD2 LEU 25 -11.137 23.957 6.748 185 HD22 LEU 25 1HD2 LEU 25 -10.936 22.454 5.849 186 HD23 LEU 25 2HD2 LEU 25 -11.739 23.831 5.095 187 H LEU 26 H LEU 26 -9.146 23.783 1.393 188 HA LEU 26 HA LEU 26 -7.588 21.540 2.020 189 HB2 LEU 26 1HB LEU 26 -9.102 22.496 -0.331 190 HB3 LEU 26 2HB LEU 26 -7.874 21.269 -0.636 191 HG LEU 26 HG LEU 26 -10.205 20.996 1.262 192 HD11 LEU 26 1HD1 LEU 26 -9.803 19.411 -1.239 193 HD12 LEU 26 2HD1 LEU 26 -10.569 20.998 -1.305 194 HD13 LEU 26 3HD1 LEU 26 -11.283 19.716 -0.329 195 HD21 LEU 26 3HD2 LEU 26 -8.631 19.602 2.187 196 HD22 LEU 26 1HD2 LEU 26 -7.843 19.285 0.641 197 HD23 LEU 26 2HD2 LEU 26 -9.387 18.520 1.016 198 H ALA 27 H ALA 27 -6.873 24.425 0.168 199 HA ALA 27 HA ALA 27 -4.446 23.446 -0.978 200 HB1 ALA 27 1HB ALA 27 -4.067 25.730 -1.679 201 HB2 ALA 27 2HB ALA 27 -5.748 25.284 -1.974 202 HB3 ALA 27 3HB ALA 27 -5.335 26.302 -0.594 203 H ARG 28 H ARG 28 -5.320 24.915 2.041 204 HA ARG 28 HA ARG 28 -2.814 25.925 2.817 205 HB2 ARG 28 1HB ARG 28 -5.141 26.247 3.902 206 HB3 ARG 28 2HB ARG 28 -4.783 24.756 4.762 207 HG2 ARG 28 1HG ARG 28 -2.958 25.718 5.889 208 HG3 ARG 28 2HG ARG 28 -2.925 27.111 4.806 209 HD2 ARG 28 1HD ARG 28 -5.192 27.727 5.671 210 HD3 ARG 28 2HD ARG 28 -5.021 26.440 6.864 211 HE ARG 28 HE ARG 28 -2.774 28.037 7.098 212 HH11 ARG 28 1HH1 ARG 28 -6.219 28.383 7.457 213 HH12 ARG 28 2HH1 ARG 28 -6.100 29.625 8.659 214 HH21 ARG 28 1HH2 ARG 28 -2.604 29.672 8.679 215 HH22 ARG 28 2HH2 ARG 28 -4.044 30.358 9.352 216 H LYS 29 H LYS 29 -4.345 22.777 3.446 217 HA LYS 29 HA LYS 29 -2.158 21.706 4.895 218 HB2 LYS 29 1HB LYS 29 -3.277 19.509 4.464 219 HB3 LYS 29 2HB LYS 29 -4.327 20.725 5.177 220 HG2 LYS 29 1HG LYS 29 -5.296 21.180 2.982 221 HG3 LYS 29 2HG LYS 29 -4.240 19.960 2.265 222 HD2 LYS 29 1HD LYS 29 -6.477 19.065 2.665 223 HD3 LYS 29 2HD LYS 29 -5.276 18.239 3.660 224 HE2 LYS 29 1HE LYS 29 -6.659 20.601 4.815 225 HE3 LYS 29 2HE LYS 29 -7.579 19.107 4.653 226 HZ1 LYS 29 3HZ LYS 29 -5.241 18.274 5.731 227 HZ2 LYS 29 1HZ LYS 29 -6.664 18.572 6.598 228 HZ3 LYS 29 2HZ LYS 29 -5.472 19.768 6.491 229 H GLY 30 H GLY 30 -2.659 22.263 1.572 230 HA2 GLY 30 1HA GLY 30 -0.986 22.063 -0.067 231 HA3 GLY 30 2HA GLY 30 -0.142 20.918 0.965 232 H ALA 31 H ALA 31 -3.513 20.424 0.518 233 HA ALA 31 HA ALA 31 -2.965 17.960 -0.920 234 HB1 ALA 31 1HB ALA 31 -5.408 17.545 -0.570 235 HB2 ALA 31 2HB ALA 31 -4.476 17.761 0.912 236 HB3 ALA 31 3HB ALA 31 -5.480 19.076 0.302 237 H GLU 32 H GLU 32 -2.899 17.949 -3.063 238 HA GLU 32 HA GLU 32 -4.063 20.070 -4.621 239 HB2 GLU 32 1HB GLU 32 -2.347 17.699 -5.173 240 HB3 GLU 32 2HB GLU 32 -3.266 18.374 -6.511 241 HG2 GLU 32 1HG GLU 32 -1.314 19.879 -4.783 242 HG3 GLU 32 2HG GLU 32 -1.008 19.281 -6.413 243 H PHE 33 H PHE 33 -5.737 19.917 -6.107 244 HA PHE 33 HA PHE 33 -7.220 17.439 -6.358 245 HB2 PHE 33 1HB PHE 33 -9.370 18.571 -5.678 246 HB3 PHE 33 2HB PHE 33 -8.249 18.252 -4.359 247 HD1 PHE 33 HD1 PHE 33 -9.368 20.915 -6.689 248 HD2 PHE 33 HD2 PHE 33 -7.565 19.970 -2.952 249 HE1 PHE 33 HE1 PHE 33 -9.450 23.290 -6.053 250 HE2 PHE 33 HE2 PHE 33 -7.645 22.343 -2.309 251 HZ PHE 33 HZ PHE 33 -8.589 24.007 -3.860 252 H ASN 34 H ASN 34 -8.546 17.371 -8.163 253 HA ASN 34 HA ASN 34 -7.909 19.254 -10.227 254 HB2 ASN 34 1HB ASN 34 -8.223 16.809 -10.631 255 HB3 ASN 34 2HB ASN 34 -9.938 17.011 -10.287 256 HD21 ASN 34 2HD2 ASN 34 -9.227 15.968 -12.654 257 HD22 ASN 34 1HD2 ASN 34 -9.504 17.099 -13.930 258 H GLU 35 H GLU 35 -8.900 21.123 -10.550 259 HA GLU 35 HA GLU 35 -11.459 21.663 -9.302 260 HB2 GLU 35 1HB GLU 35 -9.677 23.348 -9.213 261 HB3 GLU 35 2HB GLU 35 -9.667 23.439 -10.968 262 HG2 GLU 35 1HG GLU 35 -12.156 24.072 -10.719 263 HG3 GLU 35 2HG GLU 35 -11.732 24.413 -9.042 264 H ILE 36 H ILE 36 -13.343 21.388 -10.281 265 HA ILE 36 HA ILE 36 -13.457 21.588 -13.216 266 HB ILE 36 HB ILE 36 -14.923 19.562 -11.521 267 HG12 ILE 36 1HG1 ILE 36 -12.722 19.225 -13.570 268 HG13 ILE 36 2HG1 ILE 36 -12.558 19.003 -11.832 269 HG21 ILE 36 1HG2 ILE 36 -15.760 18.688 -13.652 270 HG22 ILE 36 2HG2 ILE 36 -16.288 20.347 -13.373 271 HG23 ILE 36 3HG2 ILE 36 -14.973 20.019 -14.501 272 HD11 ILE 36 3HD1 ILE 36 -13.548 17.183 -13.865 273 HD12 ILE 36 1HD1 ILE 36 -12.940 16.854 -12.243 274 HD13 ILE 36 2HD1 ILE 36 -14.626 17.319 -12.475 275 H ASP 37 H ASP 37 -15.286 22.521 -14.086 276 HA ASP 37 HA ASP 37 -16.784 24.220 -12.298 277 HB2 ASP 37 1HB ASP 37 -16.730 23.897 -15.296 278 HB3 ASP 37 2HB ASP 37 -17.871 24.967 -14.486 279 H ALA 38 H ALA 38 -19.025 24.226 -12.013 280 HA ALA 38 HA ALA 38 -20.349 21.682 -12.694 281 HB1 ALA 38 1HB ALA 38 -19.850 22.450 -10.211 282 HB2 ALA 38 2HB ALA 38 -21.351 23.345 -10.448 283 HB3 ALA 38 3HB ALA 38 -21.330 21.592 -10.639 284 H SER 39 H SER 39 -20.785 25.173 -12.357 285 HA SER 39 HA SER 39 -23.473 25.110 -13.388 286 HB2 SER 39 1HB SER 39 -21.563 27.326 -12.664 287 HB3 SER 39 2HB SER 39 -23.109 27.657 -13.445 288 HG SER 39 HG SER 39 -24.100 27.256 -11.632 289 H ALA 40 H ALA 40 -20.370 25.067 -14.737 290 HA ALA 40 HA ALA 40 -20.546 26.580 -17.034 291 HB1 ALA 40 1HB ALA 40 -18.490 25.513 -16.462 292 HB2 ALA 40 2HB ALA 40 -19.217 23.912 -16.604 293 HB3 ALA 40 3HB ALA 40 -18.987 24.906 -18.042 294 H THR 41 H THR 41 -22.045 23.504 -16.308 295 HA THR 41 HA THR 41 -23.571 23.715 -18.804 296 HB THR 41 HB THR 41 -23.423 21.046 -18.677 297 HG1 THR 41 HG1 THR 41 -21.395 20.389 -18.019 298 HG21 THR 41 3HG2 THR 41 -21.680 21.158 -20.412 299 HG22 THR 41 1HG2 THR 41 -21.358 22.833 -19.967 300 HG23 THR 41 2HG2 THR 41 -22.922 22.387 -20.649 301 HA PRO 42 HA PRO 42 -27.099 22.766 -16.371 302 HB2 PRO 42 1HB PRO 42 -28.589 21.274 -18.080 303 HB3 PRO 42 2HB PRO 42 -28.357 23.015 -18.277 304 HG2 PRO 42 1HG PRO 42 -26.962 20.750 -19.651 305 HG3 PRO 42 2HG PRO 42 -27.576 22.266 -20.336 306 HD2 PRO 42 1HD PRO 42 -24.959 21.885 -19.754 307 HD3 PRO 42 2HD PRO 42 -25.743 23.473 -19.632 308 H GLU 43 H GLU 43 -25.708 19.970 -18.061 309 HA GLU 43 HA GLU 43 -26.917 18.019 -16.387 310 HB2 GLU 43 1HB GLU 43 -24.397 17.726 -18.027 311 HB3 GLU 43 2HB GLU 43 -25.442 16.433 -17.455 312 HG2 GLU 43 1HG GLU 43 -27.267 17.385 -18.860 313 HG3 GLU 43 2HG GLU 43 -26.088 18.514 -19.526 314 H LEU 44 H LEU 44 -23.632 19.383 -16.499 315 HA LEU 44 HA LEU 44 -22.558 17.953 -14.360 316 HB2 LEU 44 1HB LEU 44 -21.936 20.631 -15.551 317 HB3 LEU 44 2HB LEU 44 -21.055 20.039 -14.145 318 HG LEU 44 HG LEU 44 -21.161 18.715 -16.855 319 HD11 LEU 44 1HD1 LEU 44 -19.667 20.901 -16.020 320 HD12 LEU 44 2HD1 LEU 44 -19.351 19.873 -17.417 321 HD13 LEU 44 3HD1 LEU 44 -18.568 19.529 -15.875 322 HD21 LEU 44 3HD2 LEU 44 -20.626 16.871 -15.719 323 HD22 LEU 44 1HD2 LEU 44 -20.362 17.767 -14.223 324 HD23 LEU 44 2HD2 LEU 44 -19.069 17.644 -15.417 325 H ARG 45 H ARG 45 -24.563 20.823 -14.418 326 HA ARG 45 HA ARG 45 -24.219 21.329 -11.589 327 HB2 ARG 45 1HB ARG 45 -24.713 23.023 -13.555 328 HB3 ARG 45 2HB ARG 45 -26.385 22.603 -13.205 329 HG2 ARG 45 1HG ARG 45 -25.936 23.225 -10.815 330 HG3 ARG 45 2HG ARG 45 -24.379 23.857 -11.352 331 HD2 ARG 45 1HD ARG 45 -26.074 25.621 -11.196 332 HD3 ARG 45 2HD ARG 45 -25.500 25.407 -12.849 333 HE ARG 45 HE ARG 45 -27.781 23.832 -12.514 334 HH11 ARG 45 1HH1 ARG 45 -26.881 27.195 -12.574 335 HH12 ARG 45 2HH1 ARG 45 -28.421 27.731 -13.161 336 HH21 ARG 45 1HH2 ARG 45 -29.811 24.525 -13.288 337 HH22 ARG 45 2HH2 ARG 45 -30.087 26.212 -13.566 338 H ALA 46 H ALA 46 -26.389 19.605 -13.659 339 HA ALA 46 HA ALA 46 -28.573 19.468 -11.812 340 HB1 ALA 46 1HB ALA 46 -27.913 18.234 -14.431 341 HB2 ALA 46 2HB ALA 46 -29.125 17.441 -13.425 342 HB3 ALA 46 3HB ALA 46 -29.353 19.117 -13.924 343 H GLU 47 H GLU 47 -26.053 17.169 -12.836 344 HA GLU 47 HA GLU 47 -26.825 15.089 -11.101 345 HB2 GLU 47 1HB GLU 47 -24.580 14.164 -11.530 346 HB3 GLU 47 2HB GLU 47 -25.381 14.675 -13.009 347 HG2 GLU 47 1HG GLU 47 -24.053 16.905 -12.542 348 HG3 GLU 47 2HG GLU 47 -23.004 15.810 -11.645 349 H MET 48 H MET 48 -24.536 17.758 -10.730 350 HA MET 48 HA MET 48 -23.500 16.940 -8.228 351 HB2 MET 48 1HB MET 48 -23.609 19.622 -9.603 352 HB3 MET 48 2HB MET 48 -22.819 19.382 -8.050 353 HG2 MET 48 1HG MET 48 -22.105 17.917 -10.579 354 HG3 MET 48 2HG MET 48 -21.270 19.344 -9.970 355 HE1 MET 48 3HE MET 48 -21.379 15.119 -8.437 356 HE2 MET 48 1HE MET 48 -22.158 15.860 -9.835 357 HE3 MET 48 2HE MET 48 -20.454 15.413 -9.910 358 H GLN 49 H GLN 49 -25.930 19.417 -9.054 359 HA GLN 49 HA GLN 49 -26.613 20.013 -6.382 360 HB2 GLN 49 1HB GLN 49 -28.283 21.381 -7.254 361 HB3 GLN 49 2HB GLN 49 -27.092 21.346 -8.547 362 HG2 GLN 49 1HG GLN 49 -28.423 19.572 -9.654 363 HG3 GLN 49 2HG GLN 49 -29.649 19.768 -8.403 364 HE21 GLN 49 2HE2 GLN 49 -29.662 22.499 -8.109 365 HE22 GLN 49 1HE2 GLN 49 -30.242 23.232 -9.562 366 H GLU 50 H GLU 50 -27.412 17.387 -8.421 367 HA GLU 50 HA GLU 50 -29.915 16.698 -7.242 368 HB2 GLU 50 1HB GLU 50 -29.434 15.868 -9.435 369 HB3 GLU 50 2HB GLU 50 -27.937 15.125 -8.891 370 HG2 GLU 50 1HG GLU 50 -29.217 13.553 -7.523 371 HG3 GLU 50 2HG GLU 50 -30.715 14.291 -8.087 372 H ARG 51 H ARG 51 -26.635 16.286 -6.318 373 HA ARG 51 HA ARG 51 -27.245 14.124 -4.459 374 HB2 ARG 51 1HB ARG 51 -24.640 15.554 -5.021 375 HB3 ARG 51 2HB ARG 51 -24.830 14.154 -3.974 376 HG2 ARG 51 1HG ARG 51 -25.499 12.792 -5.857 377 HG3 ARG 51 2HG ARG 51 -25.422 14.195 -6.925 378 HD2 ARG 51 1HD ARG 51 -23.287 13.721 -7.311 379 HD3 ARG 51 2HD ARG 51 -22.943 14.076 -5.618 380 HE ARG 51 HE ARG 51 -22.644 11.843 -5.274 381 HH11 ARG 51 1HH1 ARG 51 -24.542 12.275 -8.161 382 HH12 ARG 51 2HH1 ARG 51 -24.554 10.590 -8.562 383 HH21 ARG 51 1HH2 ARG 51 -22.653 9.622 -5.791 384 HH22 ARG 51 2HH2 ARG 51 -23.480 9.081 -7.213 385 H SER 52 H SER 52 -26.433 17.543 -4.473 386 HA SER 52 HA SER 52 -26.224 17.716 -1.607 387 HB2 SER 52 1HB SER 52 -25.154 19.233 -3.495 388 HB3 SER 52 2HB SER 52 -26.659 20.134 -3.310 389 HG SER 52 HG SER 52 -26.107 20.687 -1.306 390 H GLY 53 H GLY 53 -28.671 18.371 -4.050 391 HA2 GLY 53 1HA GLY 53 -30.984 18.357 -3.721 392 HA3 GLY 53 2HA GLY 53 -30.714 18.364 -1.985 393 H ARG 54 H ARG 54 -28.805 20.716 -3.346 394 HA ARG 54 HA ARG 54 -30.876 22.774 -2.942 395 HB2 ARG 54 1HB ARG 54 -27.942 23.041 -2.265 396 HB3 ARG 54 2HB ARG 54 -29.208 24.221 -1.953 397 HG2 ARG 54 1HG ARG 54 -30.243 22.756 -0.345 398 HG3 ARG 54 2HG ARG 54 -29.087 21.477 -0.723 399 HD2 ARG 54 1HD ARG 54 -28.312 22.474 1.269 400 HD3 ARG 54 2HD ARG 54 -27.273 23.094 -0.014 401 HE ARG 54 HE ARG 54 -29.411 24.870 0.360 402 HH11 ARG 54 1HH1 ARG 54 -26.557 23.739 2.001 403 HH12 ARG 54 2HH1 ARG 54 -26.319 25.214 2.879 404 HH21 ARG 54 1HH2 ARG 54 -29.108 26.817 1.510 405 HH22 ARG 54 2HH2 ARG 54 -27.771 26.964 2.600 406 H ASN 55 H ASN 55 -29.975 24.975 -3.856 407 HA ASN 55 HA ASN 55 -30.025 24.910 -6.580 408 HB2 ASN 55 1HB ASN 55 -30.298 27.019 -5.568 409 HB3 ASN 55 2HB ASN 55 -28.776 26.892 -4.691 410 HD21 ASN 55 2HD2 ASN 55 -27.046 27.831 -5.531 411 HD22 ASN 55 1HD2 ASN 55 -26.917 28.442 -7.141 412 H THR 56 H THR 56 -26.990 25.772 -4.944 413 HA THR 56 HA THR 56 -25.490 23.789 -6.404 414 HB THR 56 HB THR 56 -24.562 26.579 -6.923 415 HG1 THR 56 HG1 THR 56 -25.860 26.670 -8.783 416 HG21 THR 56 3HG2 THR 56 -24.494 24.369 -8.910 417 HG22 THR 56 1HG2 THR 56 -23.455 24.231 -7.492 418 HG23 THR 56 2HG2 THR 56 -23.298 25.619 -8.569 419 H PHE 57 H PHE 57 -23.704 23.223 -5.308 420 HA PHE 57 HA PHE 57 -22.471 25.106 -3.455 421 HB2 PHE 57 1HB PHE 57 -22.944 24.002 -1.529 422 HB3 PHE 57 2HB PHE 57 -24.330 23.419 -2.444 423 HD1 PHE 57 HD1 PHE 57 -23.694 21.276 -3.968 424 HD2 PHE 57 HD2 PHE 57 -21.790 22.430 -0.341 425 HE1 PHE 57 HE1 PHE 57 -22.944 18.957 -3.628 426 HE2 PHE 57 HE2 PHE 57 -21.036 20.114 0.004 427 HZ PHE 57 HZ PHE 57 -21.612 18.374 -1.641 428 HA PRO 58 HA PRO 58 -18.697 23.209 -4.635 429 HB2 PRO 58 1HB PRO 58 -17.269 23.223 -2.326 430 HB3 PRO 58 2HB PRO 58 -17.620 24.690 -3.248 431 HG2 PRO 58 1HG PRO 58 -18.989 23.610 -0.814 432 HG3 PRO 58 2HG PRO 58 -18.524 25.280 -1.188 433 HD2 PRO 58 1HD PRO 58 -21.056 24.370 -1.491 434 HD3 PRO 58 2HD PRO 58 -20.360 25.621 -2.540 435 H GLN 59 H GLN 59 -18.520 21.124 -5.152 436 HA GLN 59 HA GLN 59 -19.176 19.075 -3.175 437 HB2 GLN 59 1HB GLN 59 -19.281 19.275 -6.075 438 HB3 GLN 59 2HB GLN 59 -18.497 17.792 -5.546 439 HG2 GLN 59 1HG GLN 59 -20.515 16.922 -5.299 440 HG3 GLN 59 2HG GLN 59 -20.739 18.005 -3.926 441 HE21 GLN 59 2HE2 GLN 59 -20.830 20.427 -5.352 442 HE22 GLN 59 1HE2 GLN 59 -22.302 20.464 -6.255 443 H ILE 60 H ILE 60 -17.700 17.819 -2.214 444 HA ILE 60 HA ILE 60 -14.910 18.032 -3.142 445 HB ILE 60 HB ILE 60 -15.845 17.485 -0.323 446 HG12 ILE 60 1HG1 ILE 60 -16.388 19.773 -0.939 447 HG13 ILE 60 2HG1 ILE 60 -15.014 19.772 0.162 448 HG21 ILE 60 1HG2 ILE 60 -13.407 16.954 -1.556 449 HG22 ILE 60 2HG2 ILE 60 -13.139 18.436 -0.640 450 HG23 ILE 60 3HG2 ILE 60 -13.735 16.991 0.176 451 HD11 ILE 60 3HD1 ILE 60 -14.457 21.336 -1.463 452 HD12 ILE 60 1HD1 ILE 60 -13.572 19.889 -1.944 453 HD13 ILE 60 2HD1 ILE 60 -15.064 20.328 -2.777 454 H PHE 61 H PHE 61 -14.512 16.234 -4.282 455 HA PHE 61 HA PHE 61 -15.508 13.663 -3.292 456 HB2 PHE 61 1HB PHE 61 -14.240 14.375 -5.945 457 HB3 PHE 61 2HB PHE 61 -14.872 12.791 -5.511 458 HD1 PHE 61 HD2 PHE 61 -17.374 12.738 -4.781 459 HD2 PHE 61 HD1 PHE 61 -15.597 15.870 -7.049 460 HE1 PHE 61 HE2 PHE 61 -19.597 13.400 -5.602 461 HE2 PHE 61 HE1 PHE 61 -17.817 16.538 -7.874 462 HZ PHE 61 HZ PHE 61 -19.821 15.301 -7.151 463 H ILE 62 H ILE 62 -14.198 12.582 -1.986 464 HA ILE 62 HA ILE 62 -11.292 12.762 -2.442 465 HB ILE 62 HB ILE 62 -12.777 12.223 0.131 466 HG12 ILE 62 1HG1 ILE 62 -11.031 14.530 -0.758 467 HG13 ILE 62 2HG1 ILE 62 -12.774 14.578 -0.517 468 HG21 ILE 62 1HG2 ILE 62 -9.813 12.272 -0.419 469 HG22 ILE 62 2HG2 ILE 62 -10.549 12.188 1.180 470 HG23 ILE 62 3HG2 ILE 62 -10.775 10.866 0.036 471 HD11 ILE 62 3HD1 ILE 62 -10.581 14.636 1.453 472 HD12 ILE 62 1HD1 ILE 62 -12.142 15.455 1.461 473 HD13 ILE 62 2HD1 ILE 62 -12.037 13.751 1.907 474 H GLY 63 H GLY 63 -10.428 10.986 -3.276 475 HA2 GLY 63 1HA GLY 63 -9.987 8.772 -3.700 476 HA3 GLY 63 2HA GLY 63 -10.804 8.408 -2.187 477 H SER 64 H SER 64 -12.703 7.382 -2.269 478 HA SER 64 HA SER 64 -14.079 7.257 -4.873 479 HB2 SER 64 1HB SER 64 -13.443 5.097 -2.891 480 HB3 SER 64 2HB SER 64 -14.871 4.948 -3.915 481 HG SER 64 HG SER 64 -13.624 4.799 -5.669 482 H VAL 65 H VAL 65 -14.345 8.718 -2.088 483 HA VAL 65 HA VAL 65 -17.253 8.285 -1.878 484 HB VAL 65 HB VAL 65 -15.474 9.152 0.399 485 HG11 VAL 65 1HG1 VAL 65 -17.694 9.888 0.752 486 HG12 VAL 65 2HG1 VAL 65 -18.369 8.357 0.193 487 HG13 VAL 65 3HG1 VAL 65 -17.500 8.431 1.726 488 HG21 VAL 65 3HG2 VAL 65 -14.776 7.025 0.460 489 HG22 VAL 65 1HG2 VAL 65 -16.398 6.652 1.044 490 HG23 VAL 65 2HG2 VAL 65 -16.018 6.490 -0.671 491 H HIS 66 H HIS 66 -18.539 10.120 -1.423 492 HA HIS 66 HA HIS 66 -17.312 12.627 -2.314 493 HB2 HIS 66 1HB HIS 66 -19.223 11.996 -3.620 494 HB3 HIS 66 2HB HIS 66 -20.190 11.720 -2.174 495 HD1 HIS 66 HD1 HIS 66 -21.982 13.425 -2.838 496 HD2 HIS 66 HD2 HIS 66 -18.166 15.043 -2.552 497 HE1 HIS 66 HE1 HIS 66 -22.302 15.919 -2.905 498 H VAL 67 H VAL 67 -16.453 13.623 -0.571 499 HA VAL 67 HA VAL 67 -17.352 13.540 2.052 500 HB VAL 67 HB VAL 67 -15.864 15.750 0.631 501 HG11 VAL 67 1HG1 VAL 67 -15.137 16.343 2.989 502 HG12 VAL 67 2HG1 VAL 67 -16.792 16.768 2.546 503 HG13 VAL 67 3HG1 VAL 67 -16.483 15.349 3.546 504 HG21 VAL 67 3HG2 VAL 67 -15.092 13.212 1.947 505 HG22 VAL 67 1HG2 VAL 67 -14.360 14.050 0.579 506 HG23 VAL 67 2HG2 VAL 67 -14.049 14.606 2.223 507 H GLY 68 H GLY 68 -17.561 16.559 0.198 508 HA2 GLY 68 1HA GLY 68 -20.264 16.960 0.077 509 HA3 GLY 68 2HA GLY 68 -19.839 17.414 1.720 510 H GLY 69 H GLY 69 -19.132 19.428 2.081 511 HA2 GLY 69 1HA GLY 69 -17.873 20.937 -0.073 512 HA3 GLY 69 2HA GLY 69 -19.410 21.555 0.515 513 H CYS 70 H CYS 70 -18.451 23.475 1.243 514 HA CYS 70 HA CYS 70 -16.210 23.751 2.827 515 HB2 CYS 70 1HB CYS 70 -17.345 25.677 1.893 516 HB3 CYS 70 2HB CYS 70 -18.771 25.358 2.873 517 HG CYS 70 HG CYS 70 -17.965 26.487 5.077 518 H ASP 71 H ASP 71 -19.554 23.163 3.853 519 HA ASP 71 HA ASP 71 -19.165 23.276 6.609 520 HB2 ASP 71 1HB ASP 71 -21.395 23.209 5.708 521 HB3 ASP 71 2HB ASP 71 -21.106 21.634 4.974 522 H ASP 72 H ASP 72 -19.003 20.462 4.439 523 HA ASP 72 HA ASP 72 -18.339 18.582 6.429 524 HB2 ASP 72 1HB ASP 72 -17.791 18.574 3.455 525 HB3 ASP 72 2HB ASP 72 -17.538 17.188 4.512 526 H LEU 73 H LEU 73 -16.264 20.286 4.086 527 HA LEU 73 HA LEU 73 -13.819 19.268 4.928 528 HB2 LEU 73 1HB LEU 73 -14.374 20.728 2.902 529 HB3 LEU 73 2HB LEU 73 -14.186 22.099 3.994 530 HG LEU 73 HG LEU 73 -11.842 21.134 4.459 531 HD11 LEU 73 1HD1 LEU 73 -10.910 19.625 2.993 532 HD12 LEU 73 2HD1 LEU 73 -12.105 19.943 1.735 533 HD13 LEU 73 3HD1 LEU 73 -12.549 18.993 3.153 534 HD21 LEU 73 3HD2 LEU 73 -10.918 22.453 2.737 535 HD22 LEU 73 1HD2 LEU 73 -12.473 23.193 3.120 536 HD23 LEU 73 2HD2 LEU 73 -12.305 22.187 1.680 537 H TYR 74 H TYR 74 -15.698 21.975 6.174 538 HA TYR 74 HA TYR 74 -13.689 22.899 7.972 539 HB2 TYR 74 1HB TYR 74 -16.576 23.469 7.511 540 HB3 TYR 74 2HB TYR 74 -15.892 23.925 9.068 541 HD1 TYR 74 HD2 TYR 74 -14.319 24.008 5.693 542 HD2 TYR 74 HD1 TYR 74 -15.776 26.252 9.001 543 HE1 TYR 74 HE2 TYR 74 -13.415 26.063 4.689 544 HE2 TYR 74 HE1 TYR 74 -14.877 28.314 8.006 545 HH TYR 74 HH TYR 74 -12.638 28.497 5.862 546 H ALA 75 H ALA 75 -16.347 20.619 8.191 547 HA ALA 75 HA ALA 75 -16.191 20.299 11.031 548 HB1 ALA 75 1HB ALA 75 -17.631 18.281 10.583 549 HB2 ALA 75 2HB ALA 75 -18.279 19.821 10.017 550 HB3 ALA 75 3HB ALA 75 -17.545 18.700 8.871 551 H LEU 76 H LEU 76 -14.663 18.820 8.269 552 HA LEU 76 HA LEU 76 -13.655 16.552 9.721 553 HB2 LEU 76 1HB LEU 76 -13.314 17.657 6.975 554 HB3 LEU 76 2HB LEU 76 -12.137 16.491 7.574 555 HG LEU 76 HG LEU 76 -14.285 15.777 6.177 556 HD11 LEU 76 1HD1 LEU 76 -14.158 13.587 7.605 557 HD12 LEU 76 2HD1 LEU 76 -12.792 14.407 8.363 558 HD13 LEU 76 3HD1 LEU 76 -12.784 14.102 6.626 559 HD21 LEU 76 3HD2 LEU 76 -15.811 16.762 7.888 560 HD22 LEU 76 1HD2 LEU 76 -15.238 15.542 9.026 561 HD23 LEU 76 2HD2 LEU 76 -16.093 15.051 7.563 562 H GLU 77 H GLU 77 -12.235 19.536 8.401 563 HA GLU 77 HA GLU 77 -9.613 19.138 9.230 564 HB2 GLU 77 1HB GLU 77 -9.247 21.402 8.790 565 HB3 GLU 77 2HB GLU 77 -10.612 21.002 7.756 566 HG2 GLU 77 1HG GLU 77 -11.356 22.955 8.643 567 HG3 GLU 77 2HG GLU 77 -11.999 21.825 9.833 568 H ASP 78 H ASP 78 -12.415 20.176 11.034 569 HA ASP 78 HA ASP 78 -11.012 21.155 13.308 570 HB2 ASP 78 1HB ASP 78 -13.528 21.451 12.533 571 HB3 ASP 78 2HB ASP 78 -13.771 20.040 13.559 572 H GLU 79 H GLU 79 -11.881 18.009 12.197 573 HA GLU 79 HA GLU 79 -11.351 16.825 14.824 574 HB2 GLU 79 1HB GLU 79 -12.343 15.510 12.288 575 HB3 GLU 79 2HB GLU 79 -12.213 14.747 13.867 576 HG2 GLU 79 1HG GLU 79 -13.757 16.970 14.365 577 HG3 GLU 79 2HG GLU 79 -14.306 16.435 12.778 578 H GLY 80 H GLY 80 -9.690 17.683 12.087 579 HA2 GLY 80 1HA GLY 80 -7.604 17.169 11.280 580 HA3 GLY 80 2HA GLY 80 -7.293 16.459 12.857 581 H LYS 81 H LYS 81 -9.890 15.273 10.878 582 HA LYS 81 HA LYS 81 -8.431 12.748 10.567 583 HB2 LYS 81 1HB LYS 81 -11.380 13.232 10.139 584 HB3 LYS 81 2HB LYS 81 -10.565 11.682 10.309 585 HG2 LYS 81 1HG LYS 81 -10.019 13.270 12.613 586 HG3 LYS 81 2HG LYS 81 -11.759 13.256 12.316 587 HD2 LYS 81 1HD LYS 81 -9.981 10.826 12.524 588 HD3 LYS 81 2HD LYS 81 -11.086 11.408 13.772 589 HE2 LYS 81 1HE LYS 81 -12.935 11.151 12.067 590 HE3 LYS 81 2HE LYS 81 -11.768 10.300 11.057 591 HZ1 LYS 81 3HZ LYS 81 -11.857 9.309 13.747 592 HZ2 LYS 81 1HZ LYS 81 -11.957 8.467 12.282 593 HZ3 LYS 81 2HZ LYS 81 -13.344 9.166 12.952 594 H LEU 82 H LEU 82 -9.713 15.402 8.792 595 HA LEU 82 HA LEU 82 -10.220 14.331 6.300 596 HB2 LEU 82 1HB LEU 82 -10.100 16.840 7.342 597 HB3 LEU 82 2HB LEU 82 -8.708 16.849 6.260 598 HG LEU 82 HG LEU 82 -11.430 16.024 5.297 599 HD11 LEU 82 1HD1 LEU 82 -10.533 18.781 4.771 600 HD12 LEU 82 2HD1 LEU 82 -11.088 18.449 6.411 601 HD13 LEU 82 3HD1 LEU 82 -12.155 18.142 5.041 602 HD21 LEU 82 3HD2 LEU 82 -10.211 15.611 3.479 603 HD22 LEU 82 1HD2 LEU 82 -8.793 16.416 4.152 604 HD23 LEU 82 2HD2 LEU 82 -10.029 17.359 3.320 605 H ASP 83 H ASP 83 -7.120 15.185 7.752 606 HA ASP 83 HA ASP 83 -5.443 14.962 5.572 607 HB2 ASP 83 1HB ASP 83 -4.454 15.702 7.570 608 HB3 ASP 83 2HB ASP 83 -5.051 14.319 8.483 609 H SER 84 H SER 84 -6.778 12.398 7.602 610 HA SER 84 HA SER 84 -5.342 10.320 6.218 611 HB2 SER 84 1HB SER 84 -7.647 10.125 8.173 612 HB3 SER 84 2HB SER 84 -6.643 8.782 7.626 613 HG SER 84 HG SER 84 -5.274 9.314 9.112 614 H LEU 85 H LEU 85 -8.407 11.909 5.929 615 HA LEU 85 HA LEU 85 -9.768 9.924 4.440 616 HB2 LEU 85 1HB LEU 85 -10.134 12.800 5.022 617 HB3 LEU 85 2HB LEU 85 -10.947 12.176 3.589 618 HG LEU 85 HG LEU 85 -12.453 12.186 5.488 619 HD11 LEU 85 1HD1 LEU 85 -13.344 10.404 4.519 620 HD12 LEU 85 2HD1 LEU 85 -12.337 9.380 5.543 621 HD13 LEU 85 3HD1 LEU 85 -11.761 9.873 3.950 622 HD21 LEU 85 3HD2 LEU 85 -11.943 10.529 7.359 623 HD22 LEU 85 1HD2 LEU 85 -11.059 12.055 7.369 624 HD23 LEU 85 2HD2 LEU 85 -10.273 10.585 6.794 625 H LEU 86 H LEU 86 -7.748 12.674 3.513 626 HA LEU 86 HA LEU 86 -8.100 12.165 0.693 627 HB2 LEU 86 1HB LEU 86 -6.470 13.983 0.402 628 HB3 LEU 86 2HB LEU 86 -7.835 14.440 1.419 629 HG LEU 86 HG LEU 86 -6.115 13.738 3.335 630 HD11 LEU 86 1HD1 LEU 86 -4.411 14.566 0.997 631 HD12 LEU 86 2HD1 LEU 86 -4.292 13.093 1.959 632 HD13 LEU 86 3HD1 LEU 86 -3.872 14.649 2.674 633 HD21 LEU 86 3HD2 LEU 86 -7.129 16.115 2.253 634 HD22 LEU 86 1HD2 LEU 86 -5.402 16.386 2.486 635 HD23 LEU 86 2HD2 LEU 86 -6.405 15.879 3.845 636 H LYS 87 H LYS 87 -5.954 11.186 3.195 637 HA LYS 87 HA LYS 87 -3.804 10.423 1.422 638 HB2 LYS 87 1HB LYS 87 -4.301 10.345 4.352 639 HB3 LYS 87 2HB LYS 87 -3.163 9.172 3.702 640 HG2 LYS 87 1HG LYS 87 -2.875 12.045 2.965 641 HG3 LYS 87 2HG LYS 87 -2.338 11.493 4.553 642 HD2 LYS 87 1HD LYS 87 -1.496 10.067 2.053 643 HD3 LYS 87 2HD LYS 87 -0.640 11.507 2.611 644 HE2 LYS 87 1HE LYS 87 -1.156 9.210 4.464 645 HE3 LYS 87 2HE LYS 87 0.207 9.178 3.348 646 HZ1 LYS 87 3HZ LYS 87 1.222 10.174 5.081 647 HZ2 LYS 87 1HZ LYS 87 -0.210 10.809 5.721 648 HZ3 LYS 87 2HZ LYS 87 0.544 11.573 4.414 649 H THR 88 H THR 88 -6.492 8.876 3.071 650 HA THR 88 HA THR 88 -5.680 6.252 2.075 651 HB THR 88 HB THR 88 -7.392 5.312 3.465 652 HG1 THR 88 HG1 THR 88 -8.232 8.004 3.895 653 HG21 THR 88 3HG2 THR 88 -6.719 7.172 5.525 654 HG22 THR 88 1HG2 THR 88 -5.319 6.954 4.476 655 HG23 THR 88 2HG2 THR 88 -6.073 5.556 5.243 656 H GLY 89 H GLY 89 -8.271 8.627 1.731 657 HA2 GLY 89 1HA GLY 89 -9.562 8.994 -0.180 658 HA3 GLY 89 2HA GLY 89 -8.943 7.495 -0.857 659 H LYS 90 H LYS 90 -10.269 7.570 2.355 660 HA LYS 90 HA LYS 90 -12.943 6.911 1.653 661 HB2 LYS 90 1HB LYS 90 -12.941 4.559 2.315 662 HB3 LYS 90 2HB LYS 90 -11.879 4.819 0.937 663 HG2 LYS 90 1HG LYS 90 -10.629 4.956 3.609 664 HG3 LYS 90 2HG LYS 90 -11.185 3.370 3.069 665 HD2 LYS 90 1HD LYS 90 -9.583 5.061 1.205 666 HD3 LYS 90 2HD LYS 90 -8.759 4.206 2.511 667 HE2 LYS 90 1HE LYS 90 -10.654 2.822 0.633 668 HE3 LYS 90 2HE LYS 90 -8.942 3.017 0.260 669 HZ1 LYS 90 3HZ LYS 90 -9.404 1.979 2.893 670 HZ2 LYS 90 1HZ LYS 90 -8.391 1.401 1.667 671 HZ3 LYS 90 2HZ LYS 90 -10.029 0.978 1.681 672 H LEU 91 H LEU 91 -14.180 6.113 3.601 673 HA LEU 91 HA LEU 91 -12.916 6.970 6.113 674 HB2 LEU 91 1HB LEU 91 -14.680 8.336 6.716 675 HB3 LEU 91 2HB LEU 91 -14.481 8.680 4.999 676 HG LEU 91 HG LEU 91 -16.592 6.887 6.199 677 HD11 LEU 91 1HD1 LEU 91 -17.506 9.226 4.772 678 HD12 LEU 91 2HD1 LEU 91 -16.486 9.662 6.143 679 HD13 LEU 91 3HD1 LEU 91 -17.916 8.660 6.391 680 HD21 LEU 91 3HD2 LEU 91 -16.545 6.011 4.128 681 HD22 LEU 91 1HD2 LEU 91 -15.670 7.385 3.452 682 HD23 LEU 91 2HD2 LEU 91 -17.415 7.482 3.691 683 H ILE 92 H ILE 92 -13.536 5.871 7.949 684 HA ILE 92 HA ILE 92 -15.211 3.493 7.486 685 HB ILE 92 HB ILE 92 -14.017 2.522 9.467 686 HG12 ILE 92 1HG1 ILE 92 -11.993 4.713 9.032 687 HG13 ILE 92 2HG1 ILE 92 -13.253 4.841 10.254 688 HG21 ILE 92 1HG2 ILE 92 -13.292 2.610 6.816 689 HG22 ILE 92 2HG2 ILE 92 -11.796 3.020 7.653 690 HG23 ILE 92 3HG2 ILE 92 -12.633 1.515 8.032 691 HD11 ILE 92 3HD1 ILE 92 -10.942 2.951 10.122 692 HD12 ILE 92 1HD1 ILE 92 -11.422 4.040 11.424 693 HD13 ILE 92 2HD1 ILE 92 -12.365 2.585 11.098 Start of MODEL 6 1 H1 GLY 1 H GLY 1 5.696 7.874 5.539 2 HA2 GLY 1 1HA GLY 1 4.717 5.237 6.046 3 HA3 GLY 1 2HA GLY 1 3.446 6.291 5.443 4 HA PRO 2 HA PRO 2 5.680 4.367 1.839 5 HB2 PRO 2 1HB PRO 2 3.434 3.491 0.591 6 HB3 PRO 2 2HB PRO 2 4.288 2.539 1.811 7 HG2 PRO 2 1HG PRO 2 1.839 4.236 2.105 8 HG3 PRO 2 2HG PRO 2 2.173 2.628 2.773 9 HD2 PRO 2 1HD PRO 2 2.401 4.892 4.241 10 HD3 PRO 2 2HD PRO 2 3.434 3.472 4.508 11 H GLY 3 H GLY 3 2.800 6.391 2.095 12 HA2 GLY 3 1HA GLY 3 2.875 8.588 1.044 13 HA3 GLY 3 2HA GLY 3 3.719 7.843 -0.306 14 H SER 4 H SER 4 0.862 6.596 1.352 15 HA SER 4 HA SER 4 -0.497 6.016 -1.040 16 HB2 SER 4 1HB SER 4 -1.812 6.432 1.648 17 HB3 SER 4 2HB SER 4 -2.352 5.393 0.330 18 HG SER 4 HG SER 4 -1.303 3.929 1.430 19 H MET 5 H MET 5 -1.715 7.216 -2.349 20 HA MET 5 HA MET 5 -2.924 9.682 -1.345 21 HB2 MET 5 1HB MET 5 -0.626 10.066 -2.475 22 HB3 MET 5 2HB MET 5 -1.472 9.711 -3.976 23 HG2 MET 5 1HG MET 5 -2.731 11.625 -3.882 24 HG3 MET 5 2HG MET 5 -2.595 11.758 -2.130 25 HE1 MET 5 3HE MET 5 -0.267 12.595 -5.573 26 HE2 MET 5 1HE MET 5 -1.948 13.012 -5.241 27 HE3 MET 5 2HE MET 5 -0.685 14.228 -5.054 28 H VAL 6 H VAL 6 -4.732 10.394 -2.529 29 HA VAL 6 HA VAL 6 -5.718 8.520 -4.576 30 HB VAL 6 HB VAL 6 -8.036 8.980 -3.652 31 HG11 VAL 6 1HG1 VAL 6 -6.329 6.972 -3.178 32 HG12 VAL 6 2HG1 VAL 6 -6.563 7.547 -1.527 33 HG13 VAL 6 3HG1 VAL 6 -7.951 7.038 -2.490 34 HG21 VAL 6 3HG2 VAL 6 -8.368 10.139 -1.753 35 HG22 VAL 6 1HG2 VAL 6 -6.921 9.488 -0.984 36 HG23 VAL 6 2HG2 VAL 6 -6.789 10.838 -2.112 37 H ASP 7 H ASP 7 -7.054 9.397 -6.184 38 HA ASP 7 HA ASP 7 -6.446 12.057 -6.940 39 HB2 ASP 7 1HB ASP 7 -8.469 10.083 -8.009 40 HB3 ASP 7 2HB ASP 7 -8.141 11.645 -8.755 41 H VAL 8 H VAL 8 -7.347 13.888 -6.292 42 HA VAL 8 HA VAL 8 -10.057 13.789 -5.136 43 HB VAL 8 HB VAL 8 -7.858 15.774 -4.536 44 HG11 VAL 8 1HG1 VAL 8 -10.628 15.441 -3.392 45 HG12 VAL 8 2HG1 VAL 8 -9.382 16.486 -2.707 46 HG13 VAL 8 3HG1 VAL 8 -10.016 16.809 -4.321 47 HG21 VAL 8 3HG2 VAL 8 -7.112 14.373 -2.981 48 HG22 VAL 8 1HG2 VAL 8 -8.724 14.250 -2.276 49 HG23 VAL 8 2HG2 VAL 8 -8.240 13.153 -3.570 50 H ILE 9 H ILE 9 -11.602 15.123 -5.911 51 HA ILE 9 HA ILE 9 -10.813 17.168 -7.872 52 HB ILE 9 HB ILE 9 -13.223 15.388 -8.218 53 HG12 ILE 9 1HG1 ILE 9 -10.528 15.219 -9.584 54 HG13 ILE 9 2HG1 ILE 9 -11.168 14.058 -8.426 55 HG21 ILE 9 1HG2 ILE 9 -11.929 16.975 -10.384 56 HG22 ILE 9 2HG2 ILE 9 -13.609 16.473 -10.206 57 HG23 ILE 9 3HG2 ILE 9 -12.976 17.793 -9.224 58 HD11 ILE 9 3HD1 ILE 9 -13.063 14.383 -10.517 59 HD12 ILE 9 1HD1 ILE 9 -11.475 14.095 -11.227 60 HD13 ILE 9 2HD1 ILE 9 -12.142 12.948 -10.065 61 H ILE 10 H ILE 10 -11.753 19.094 -7.589 62 HA ILE 10 HA ILE 10 -13.966 19.264 -5.653 63 HB ILE 10 HB ILE 10 -11.904 20.402 -4.934 64 HG12 ILE 10 1HG1 ILE 10 -13.633 22.719 -5.507 65 HG13 ILE 10 2HG1 ILE 10 -14.463 21.338 -4.799 66 HG21 ILE 10 1HG2 ILE 10 -11.060 22.336 -6.106 67 HG22 ILE 10 2HG2 ILE 10 -11.072 20.949 -7.193 68 HG23 ILE 10 3HG2 ILE 10 -12.322 22.186 -7.328 69 HD11 ILE 10 3HD1 ILE 10 -13.566 23.097 -3.213 70 HD12 ILE 10 1HD1 ILE 10 -13.164 21.418 -2.856 71 HD13 ILE 10 2HD1 ILE 10 -11.963 22.473 -3.601 72 H TYR 11 H TYR 11 -15.858 20.113 -6.269 73 HA TYR 11 HA TYR 11 -16.027 21.231 -8.985 74 HB2 TYR 11 1HB TYR 11 -17.658 19.340 -7.504 75 HB3 TYR 11 2HB TYR 11 -18.621 20.676 -8.123 76 HD1 TYR 11 HD1 TYR 11 -15.640 19.012 -9.616 77 HD2 TYR 11 HD2 TYR 11 -19.813 19.788 -9.915 78 HE1 TYR 11 HE1 TYR 11 -15.672 17.954 -11.836 79 HE2 TYR 11 HE2 TYR 11 -19.856 18.731 -12.135 80 HH TYR 11 HH TYR 11 -17.046 17.082 -13.441 81 H THR 12 H THR 12 -16.158 23.366 -9.042 82 HA THR 12 HA THR 12 -17.984 24.735 -7.218 83 HB THR 12 HB THR 12 -16.021 25.124 -6.001 84 HG1 THR 12 HG1 THR 12 -17.181 27.083 -6.716 85 HG21 THR 12 3HG2 THR 12 -14.068 26.201 -7.607 86 HG22 THR 12 1HG2 THR 12 -14.739 24.922 -8.618 87 HG23 THR 12 2HG2 THR 12 -14.108 24.540 -7.016 88 H ARG 13 H ARG 13 -18.653 26.821 -7.957 89 HA ARG 13 HA ARG 13 -18.303 27.157 -10.860 90 HB2 ARG 13 1HB ARG 13 -20.492 27.753 -11.049 91 HB3 ARG 13 2HB ARG 13 -20.628 26.771 -9.597 92 HG2 ARG 13 1HG ARG 13 -20.156 29.060 -8.397 93 HG3 ARG 13 2HG ARG 13 -20.768 29.723 -9.914 94 HD2 ARG 13 1HD ARG 13 -22.319 27.536 -8.645 95 HD3 ARG 13 2HD ARG 13 -22.361 29.119 -7.869 96 HE ARG 13 HE ARG 13 -23.681 28.366 -10.270 97 HH11 ARG 13 1HH1 ARG 13 -22.085 31.031 -8.699 98 HH12 ARG 13 2HH1 ARG 13 -22.962 32.242 -9.574 99 HH21 ARG 13 1HH2 ARG 13 -24.843 29.951 -11.428 100 HH22 ARG 13 2HH2 ARG 13 -24.532 31.627 -11.125 101 HA PRO 14 HA PRO 14 -16.472 31.115 -10.392 102 HB2 PRO 14 1HB PRO 14 -17.618 32.534 -12.404 103 HB3 PRO 14 2HB PRO 14 -16.424 31.261 -12.685 104 HG2 PRO 14 1HG PRO 14 -19.409 31.138 -12.886 105 HG3 PRO 14 2HG PRO 14 -18.185 30.459 -13.975 106 HD2 PRO 14 1HD PRO 14 -19.492 28.961 -12.136 107 HD3 PRO 14 2HD PRO 14 -17.818 28.628 -12.623 108 H GLY 15 H GLY 15 -17.018 32.183 -8.564 109 HA2 GLY 15 1HA GLY 15 -18.035 34.276 -7.825 110 HA3 GLY 15 2HA GLY 15 -19.507 33.771 -8.642 111 H CYS 16 H CYS 16 -18.024 31.181 -7.092 112 HA CYS 16 HA CYS 16 -20.061 31.231 -5.004 113 HB2 CYS 16 1HB CYS 16 -19.716 29.198 -6.422 114 HB3 CYS 16 2HB CYS 16 -18.118 29.021 -5.703 115 HA PRO 17 HA PRO 17 -16.894 32.770 -2.222 116 HB2 PRO 17 1HB PRO 17 -18.589 33.171 -0.139 117 HB3 PRO 17 2HB PRO 17 -18.456 34.292 -1.499 118 HG2 PRO 17 1HG PRO 17 -20.494 32.159 -0.996 119 HG3 PRO 17 2HG PRO 17 -20.730 33.813 -1.590 120 HD2 PRO 17 1HD PRO 17 -20.708 31.664 -3.236 121 HD3 PRO 17 2HD PRO 17 -20.122 33.261 -3.743 122 H TYR 18 H TYR 18 -19.444 30.571 -1.033 123 HA TYR 18 HA TYR 18 -17.971 29.484 1.082 124 HB2 TYR 18 1HB TYR 18 -20.141 28.110 -0.515 125 HB3 TYR 18 2HB TYR 18 -19.628 27.707 1.120 126 HD1 TYR 18 HD1 TYR 18 -19.567 30.091 2.608 127 HD2 TYR 18 HD2 TYR 18 -22.234 29.064 -0.544 128 HE1 TYR 18 HE1 TYR 18 -21.236 31.650 3.521 129 HE2 TYR 18 HE2 TYR 18 -23.910 30.621 0.359 130 HH TYR 18 HH TYR 18 -23.173 32.901 2.803 131 H CYS 19 H CYS 19 -17.946 28.797 -2.322 132 HA CYS 19 HA CYS 19 -16.674 26.250 -2.151 133 HB2 CYS 19 1HB CYS 19 -16.807 28.217 -4.446 134 HB3 CYS 19 2HB CYS 19 -16.260 26.548 -4.570 135 H ALA 20 H ALA 20 -15.503 29.537 -2.818 136 HA ALA 20 HA ALA 20 -12.836 29.000 -3.289 137 HB1 ALA 20 1HB ALA 20 -14.259 31.349 -2.110 138 HB2 ALA 20 2HB ALA 20 -12.496 31.325 -2.178 139 HB3 ALA 20 3HB ALA 20 -13.438 31.199 -3.664 140 H ARG 21 H ARG 21 -14.420 29.592 -0.159 141 HA ARG 21 HA ARG 21 -12.187 29.464 1.479 142 HB2 ARG 21 1HB ARG 21 -15.092 28.918 1.863 143 HB3 ARG 21 2HB ARG 21 -13.984 28.414 3.132 144 HG2 ARG 21 1HG ARG 21 -14.211 31.212 2.043 145 HG3 ARG 21 2HG ARG 21 -14.948 30.634 3.538 146 HD2 ARG 21 1HD ARG 21 -12.443 29.889 4.023 147 HD3 ARG 21 2HD ARG 21 -12.106 31.217 2.913 148 HE ARG 21 HE ARG 21 -13.125 31.412 5.601 149 HH11 ARG 21 1HH1 ARG 21 -12.814 32.988 2.513 150 HH12 ARG 21 2HH1 ARG 21 -12.999 34.584 3.162 151 HH21 ARG 21 1HH2 ARG 21 -13.370 33.508 6.468 152 HH22 ARG 21 2HH2 ARG 21 -13.314 34.878 5.412 153 H ALA 22 H ALA 22 -14.304 26.818 0.407 154 HA ALA 22 HA ALA 22 -13.056 24.740 1.793 155 HB1 ALA 22 1HB ALA 22 -15.187 24.946 0.081 156 HB2 ALA 22 2HB ALA 22 -14.042 23.974 -0.844 157 HB3 ALA 22 3HB ALA 22 -14.555 23.445 0.758 158 H LYS 23 H LYS 23 -12.509 25.859 -1.545 159 HA LYS 23 HA LYS 23 -10.530 24.080 -2.286 160 HB2 LYS 23 1HB LYS 23 -10.705 27.007 -3.028 161 HB3 LYS 23 2HB LYS 23 -9.802 25.777 -3.902 162 HG2 LYS 23 1HG LYS 23 -12.348 24.731 -3.784 163 HG3 LYS 23 2HG LYS 23 -12.619 26.459 -4.023 164 HD2 LYS 23 1HD LYS 23 -10.850 24.695 -5.717 165 HD3 LYS 23 2HD LYS 23 -12.458 25.274 -6.158 166 HE2 LYS 23 1HE LYS 23 -11.075 27.570 -5.445 167 HE3 LYS 23 2HE LYS 23 -9.889 26.610 -6.328 168 HZ1 LYS 23 3HZ LYS 23 -10.846 27.460 -8.136 169 HZ2 LYS 23 1HZ LYS 23 -12.220 27.981 -7.298 170 HZ3 LYS 23 2HZ LYS 23 -12.119 26.384 -7.846 171 H ALA 24 H ALA 24 -10.082 27.290 -0.802 172 HA ALA 24 HA ALA 24 -7.287 27.136 -0.571 173 HB1 ALA 24 1HB ALA 24 -8.718 28.665 1.503 174 HB2 ALA 24 2HB ALA 24 -7.426 29.163 0.409 175 HB3 ALA 24 3HB ALA 24 -9.091 29.090 -0.168 176 H LEU 25 H LEU 25 -9.876 25.975 1.485 177 HA LEU 25 HA LEU 25 -8.360 25.477 3.806 178 HB2 LEU 25 1HB LEU 25 -10.900 25.483 3.495 179 HB3 LEU 25 2HB LEU 25 -10.709 23.825 2.931 180 HG LEU 25 HG LEU 25 -11.405 24.026 5.311 181 HD11 LEU 25 1HD1 LEU 25 -8.772 22.786 5.569 182 HD12 LEU 25 2HD1 LEU 25 -9.677 22.264 4.149 183 HD13 LEU 25 3HD1 LEU 25 -10.381 22.089 5.756 184 HD21 LEU 25 3HD2 LEU 25 -10.066 26.063 5.794 185 HD22 LEU 25 1HD2 LEU 25 -8.610 25.068 5.746 186 HD23 LEU 25 2HD2 LEU 25 -9.841 24.770 6.973 187 H LEU 26 H LEU 26 -9.132 23.444 1.008 188 HA LEU 26 HA LEU 26 -7.760 21.150 2.013 189 HB2 LEU 26 1HB LEU 26 -9.144 21.922 -0.469 190 HB3 LEU 26 2HB LEU 26 -7.871 20.717 -0.653 191 HG LEU 26 HG LEU 26 -10.081 20.372 1.351 192 HD11 LEU 26 1HD1 LEU 26 -10.099 19.507 -1.537 193 HD12 LEU 26 2HD1 LEU 26 -11.142 20.731 -0.813 194 HD13 LEU 26 3HD1 LEU 26 -11.280 19.046 -0.311 195 HD21 LEU 26 3HD2 LEU 26 -8.128 18.944 1.594 196 HD22 LEU 26 1HD2 LEU 26 -8.260 18.448 -0.094 197 HD23 LEU 26 2HD2 LEU 26 -9.520 18.002 1.057 198 H ALA 27 H ALA 27 -6.917 23.840 -0.084 199 HA ALA 27 HA ALA 27 -4.403 22.761 -0.913 200 HB1 ALA 27 1HB ALA 27 -4.044 24.800 -2.018 201 HB2 ALA 27 2HB ALA 27 -5.785 24.534 -2.108 202 HB3 ALA 27 3HB ALA 27 -5.127 25.675 -0.936 203 H ARG 28 H ARG 28 -5.520 24.563 1.828 204 HA ARG 28 HA ARG 28 -3.243 25.845 2.706 205 HB2 ARG 28 1HB ARG 28 -5.564 25.868 3.745 206 HB3 ARG 28 2HB ARG 28 -5.120 24.365 4.544 207 HG2 ARG 28 1HG ARG 28 -3.323 25.465 5.715 208 HG3 ARG 28 2HG ARG 28 -3.633 26.966 4.839 209 HD2 ARG 28 1HD ARG 28 -5.856 25.718 6.378 210 HD3 ARG 28 2HD ARG 28 -4.590 26.568 7.262 211 HE ARG 28 HE ARG 28 -6.639 27.732 5.620 212 HH11 ARG 28 1HH1 ARG 28 -3.448 28.164 6.945 213 HH12 ARG 28 2HH1 ARG 28 -3.505 29.893 6.860 214 HH21 ARG 28 1HH2 ARG 28 -6.725 30.009 5.503 215 HH22 ARG 28 2HH2 ARG 28 -5.370 30.942 6.040 216 H LYS 29 H LYS 29 -4.243 22.510 3.462 217 HA LYS 29 HA LYS 29 -1.828 21.896 4.851 218 HB2 LYS 29 1HB LYS 29 -2.679 19.690 5.050 219 HB3 LYS 29 2HB LYS 29 -4.068 20.762 5.172 220 HG2 LYS 29 1HG LYS 29 -4.202 20.321 2.577 221 HG3 LYS 29 2HG LYS 29 -3.319 18.858 3.021 222 HD2 LYS 29 1HD LYS 29 -5.947 19.761 4.201 223 HD3 LYS 29 2HD LYS 29 -5.741 18.482 3.002 224 HE2 LYS 29 1HE LYS 29 -4.740 18.518 5.843 225 HE3 LYS 29 2HE LYS 29 -5.965 17.456 5.150 226 HZ1 LYS 29 3HZ LYS 29 -4.036 16.774 3.583 227 HZ2 LYS 29 1HZ LYS 29 -4.114 16.124 5.143 228 HZ3 LYS 29 2HZ LYS 29 -3.046 17.392 4.808 229 H GLY 30 H GLY 30 -2.661 22.076 1.557 230 HA2 GLY 30 1HA GLY 30 -0.919 22.013 -0.097 231 HA3 GLY 30 2HA GLY 30 -0.110 20.781 0.861 232 H ALA 31 H ALA 31 -3.359 20.111 0.841 233 HA ALA 31 HA ALA 31 -3.064 17.768 -0.703 234 HB1 ALA 31 1HB ALA 31 -5.252 17.286 -0.158 235 HB2 ALA 31 2HB ALA 31 -4.785 18.368 1.155 236 HB3 ALA 31 3HB ALA 31 -5.746 18.979 -0.192 237 H GLU 32 H GLU 32 -2.845 17.662 -2.834 238 HA GLU 32 HA GLU 32 -3.671 19.815 -4.551 239 HB2 GLU 32 1HB GLU 32 -2.406 17.129 -5.087 240 HB3 GLU 32 2HB GLU 32 -2.832 18.256 -6.368 241 HG2 GLU 32 1HG GLU 32 -1.214 19.782 -5.748 242 HG3 GLU 32 2HG GLU 32 -1.100 19.149 -4.107 243 H PHE 33 H PHE 33 -5.504 19.993 -5.669 244 HA PHE 33 HA PHE 33 -7.128 17.608 -6.164 245 HB2 PHE 33 1HB PHE 33 -9.178 18.870 -5.474 246 HB3 PHE 33 2HB PHE 33 -8.087 18.496 -4.144 247 HD1 PHE 33 HD1 PHE 33 -9.110 21.193 -6.468 248 HD2 PHE 33 HD2 PHE 33 -7.230 20.190 -2.783 249 HE1 PHE 33 HE1 PHE 33 -9.053 23.574 -5.853 250 HE2 PHE 33 HE2 PHE 33 -7.172 22.570 -2.162 251 HZ PHE 33 HZ PHE 33 -8.085 24.266 -3.697 252 H ASN 34 H ASN 34 -8.416 17.708 -7.995 253 HA ASN 34 HA ASN 34 -7.593 19.645 -9.963 254 HB2 ASN 34 1HB ASN 34 -8.060 17.132 -10.335 255 HB3 ASN 34 2HB ASN 34 -9.760 17.593 -10.357 256 HD21 ASN 34 2HD2 ASN 34 -9.659 16.721 -12.539 257 HD22 ASN 34 1HD2 ASN 34 -9.128 17.746 -13.824 258 H GLU 35 H GLU 35 -8.562 21.516 -10.347 259 HA GLU 35 HA GLU 35 -11.121 22.103 -9.122 260 HB2 GLU 35 1HB GLU 35 -9.270 23.740 -9.042 261 HB3 GLU 35 2HB GLU 35 -9.322 23.864 -10.795 262 HG2 GLU 35 1HG GLU 35 -11.851 24.459 -10.317 263 HG3 GLU 35 2HG GLU 35 -11.185 24.942 -8.758 264 H ILE 36 H ILE 36 -12.973 21.721 -10.121 265 HA ILE 36 HA ILE 36 -13.131 22.132 -13.026 266 HB ILE 36 HB ILE 36 -14.453 19.818 -11.610 267 HG12 ILE 36 1HG1 ILE 36 -12.057 19.758 -13.455 268 HG13 ILE 36 2HG1 ILE 36 -11.965 19.612 -11.704 269 HG21 ILE 36 1HG2 ILE 36 -15.766 19.983 -13.428 270 HG22 ILE 36 2HG2 ILE 36 -14.595 20.960 -14.311 271 HG23 ILE 36 3HG2 ILE 36 -14.411 19.208 -14.248 272 HD11 ILE 36 3HD1 ILE 36 -13.008 17.678 -13.714 273 HD12 ILE 36 1HD1 ILE 36 -11.889 17.420 -12.376 274 HD13 ILE 36 2HD1 ILE 36 -13.611 17.633 -12.057 275 H ASP 37 H ASP 37 -15.173 22.751 -13.814 276 HA ASP 37 HA ASP 37 -16.975 23.798 -11.735 277 HB2 ASP 37 1HB ASP 37 -16.404 24.748 -14.544 278 HB3 ASP 37 2HB ASP 37 -17.762 25.342 -13.592 279 H ALA 38 H ALA 38 -19.223 23.595 -11.989 280 HA ALA 38 HA ALA 38 -20.040 21.476 -13.869 281 HB1 ALA 38 1HB ALA 38 -20.999 20.370 -12.198 282 HB2 ALA 38 2HB ALA 38 -20.221 21.500 -11.089 283 HB3 ALA 38 3HB ALA 38 -21.861 21.812 -11.659 284 H SER 39 H SER 39 -20.757 24.619 -12.542 285 HA SER 39 HA SER 39 -23.372 24.955 -13.479 286 HB2 SER 39 1HB SER 39 -22.379 26.514 -11.895 287 HB3 SER 39 2HB SER 39 -21.187 27.016 -13.094 288 HG SER 39 HG SER 39 -22.639 28.230 -14.041 289 H ALA 40 H ALA 40 -20.403 24.800 -15.170 290 HA ALA 40 HA ALA 40 -20.780 26.402 -17.381 291 HB1 ALA 40 1HB ALA 40 -18.712 25.392 -17.316 292 HB2 ALA 40 2HB ALA 40 -19.382 23.797 -16.970 293 HB3 ALA 40 3HB ALA 40 -19.511 24.474 -18.593 294 H THR 41 H THR 41 -22.228 23.288 -16.645 295 HA THR 41 HA THR 41 -24.015 23.645 -18.951 296 HB THR 41 HB THR 41 -23.966 20.978 -18.907 297 HG1 THR 41 HG1 THR 41 -21.766 20.315 -18.587 298 HG21 THR 41 3HG2 THR 41 -23.471 22.568 -20.807 299 HG22 THR 41 1HG2 THR 41 -22.591 21.041 -20.846 300 HG23 THR 41 2HG2 THR 41 -21.781 22.512 -20.307 301 HA PRO 42 HA PRO 42 -27.322 22.791 -16.193 302 HB2 PRO 42 1HB PRO 42 -29.050 21.437 -17.791 303 HB3 PRO 42 2HB PRO 42 -28.749 23.172 -17.953 304 HG2 PRO 42 1HG PRO 42 -27.616 20.896 -19.534 305 HG3 PRO 42 2HG PRO 42 -28.217 22.464 -20.104 306 HD2 PRO 42 1HD PRO 42 -25.578 21.937 -19.803 307 HD3 PRO 42 2HD PRO 42 -26.263 23.555 -19.550 308 H GLU 43 H GLU 43 -26.363 19.975 -18.148 309 HA GLU 43 HA GLU 43 -27.473 18.020 -16.452 310 HB2 GLU 43 1HB GLU 43 -25.350 17.985 -18.570 311 HB3 GLU 43 2HB GLU 43 -25.641 16.553 -17.593 312 HG2 GLU 43 1HG GLU 43 -27.863 16.355 -18.378 313 HG3 GLU 43 2HG GLU 43 -27.815 17.953 -19.119 314 H LEU 44 H LEU 44 -24.144 19.251 -16.710 315 HA LEU 44 HA LEU 44 -23.000 17.692 -14.707 316 HB2 LEU 44 1HB LEU 44 -22.356 20.272 -16.007 317 HB3 LEU 44 2HB LEU 44 -21.545 19.925 -14.481 318 HG LEU 44 HG LEU 44 -21.437 18.210 -16.962 319 HD11 LEU 44 1HD1 LEU 44 -18.996 19.436 -15.895 320 HD12 LEU 44 2HD1 LEU 44 -20.158 20.572 -16.578 321 HD13 LEU 44 3HD1 LEU 44 -19.540 19.245 -17.562 322 HD21 LEU 44 3HD2 LEU 44 -19.600 17.074 -15.676 323 HD22 LEU 44 1HD2 LEU 44 -21.231 16.799 -15.063 324 HD23 LEU 44 2HD2 LEU 44 -20.164 17.941 -14.247 325 H ARG 45 H ARG 45 -24.967 20.565 -14.501 326 HA ARG 45 HA ARG 45 -24.409 20.972 -11.690 327 HB2 ARG 45 1HB ARG 45 -24.861 22.870 -13.235 328 HB3 ARG 45 2HB ARG 45 -26.504 22.277 -13.436 329 HG2 ARG 45 1HG ARG 45 -26.466 22.448 -10.782 330 HG3 ARG 45 2HG ARG 45 -25.255 23.677 -11.150 331 HD2 ARG 45 1HD ARG 45 -27.124 24.386 -12.919 332 HD3 ARG 45 2HD ARG 45 -28.164 23.639 -11.707 333 HE ARG 45 HE ARG 45 -27.777 25.425 -10.333 334 HH11 ARG 45 1HH1 ARG 45 -25.369 25.387 -12.847 335 HH12 ARG 45 2HH1 ARG 45 -24.700 26.924 -12.410 336 HH21 ARG 45 1HH2 ARG 45 -26.905 27.450 -9.747 337 HH22 ARG 45 2HH2 ARG 45 -25.574 28.096 -10.646 338 H ALA 46 H ALA 46 -26.792 19.391 -13.666 339 HA ALA 46 HA ALA 46 -28.896 19.201 -11.818 340 HB1 ALA 46 1HB ALA 46 -28.113 17.782 -14.292 341 HB2 ALA 46 2HB ALA 46 -29.254 16.959 -13.228 342 HB3 ALA 46 3HB ALA 46 -29.636 18.560 -13.861 343 H GLU 47 H GLU 47 -26.347 16.825 -12.592 344 HA GLU 47 HA GLU 47 -27.067 15.023 -10.534 345 HB2 GLU 47 1HB GLU 47 -24.868 13.981 -10.969 346 HB3 GLU 47 2HB GLU 47 -25.780 14.270 -12.443 347 HG2 GLU 47 1HG GLU 47 -24.331 16.556 -12.266 348 HG3 GLU 47 2HG GLU 47 -23.222 15.384 -11.557 349 H MET 48 H MET 48 -24.939 17.797 -10.660 350 HA MET 48 HA MET 48 -23.580 17.298 -8.217 351 HB2 MET 48 1HB MET 48 -22.342 18.930 -9.107 352 HB3 MET 48 2HB MET 48 -23.616 19.344 -10.245 353 HG2 MET 48 1HG MET 48 -24.625 20.837 -8.677 354 HG3 MET 48 2HG MET 48 -23.529 20.312 -7.401 355 HE1 MET 48 3HE MET 48 -23.774 22.812 -7.241 356 HE2 MET 48 1HE MET 48 -22.050 23.072 -6.976 357 HE3 MET 48 2HE MET 48 -22.902 24.004 -8.207 358 H GLN 49 H GLN 49 -26.399 19.277 -9.068 359 HA GLN 49 HA GLN 49 -26.815 20.137 -6.358 360 HB2 GLN 49 1HB GLN 49 -28.529 21.456 -7.178 361 HB3 GLN 49 2HB GLN 49 -27.481 21.324 -8.585 362 HG2 GLN 49 1HG GLN 49 -28.951 19.361 -9.281 363 HG3 GLN 49 2HG GLN 49 -30.081 19.933 -8.055 364 HE21 GLN 49 2HE2 GLN 49 -29.826 22.648 -8.316 365 HE22 GLN 49 1HE2 GLN 49 -30.403 23.139 -9.868 366 H GLU 50 H GLU 50 -27.716 17.425 -8.253 367 HA GLU 50 HA GLU 50 -30.089 16.729 -6.826 368 HB2 GLU 50 1HB GLU 50 -29.749 15.897 -9.074 369 HB3 GLU 50 2HB GLU 50 -28.263 15.091 -8.590 370 HG2 GLU 50 1HG GLU 50 -29.453 13.517 -7.264 371 HG3 GLU 50 2HG GLU 50 -30.960 14.412 -7.452 372 H ARG 51 H ARG 51 -26.725 16.368 -6.237 373 HA ARG 51 HA ARG 51 -27.066 14.193 -4.343 374 HB2 ARG 51 1HB ARG 51 -24.655 15.801 -5.195 375 HB3 ARG 51 2HB ARG 51 -24.597 14.543 -3.968 376 HG2 ARG 51 1HG ARG 51 -25.232 12.871 -5.568 377 HG3 ARG 51 2HG ARG 51 -25.495 14.102 -6.806 378 HD2 ARG 51 1HD ARG 51 -23.303 14.275 -7.272 379 HD3 ARG 51 2HD ARG 51 -22.834 14.159 -5.576 380 HE ARG 51 HE ARG 51 -22.429 11.941 -5.903 381 HH11 ARG 51 1HH1 ARG 51 -24.569 13.058 -8.412 382 HH12 ARG 51 2HH1 ARG 51 -24.552 11.556 -9.275 383 HH21 ARG 51 1HH2 ARG 51 -22.400 9.958 -7.030 384 HH22 ARG 51 2HH2 ARG 51 -23.319 9.793 -8.488 385 H SER 52 H SER 52 -26.318 17.650 -4.318 386 HA SER 52 HA SER 52 -26.101 17.743 -1.445 387 HB2 SER 52 1HB SER 52 -25.106 19.319 -3.423 388 HB3 SER 52 2HB SER 52 -26.500 20.274 -2.918 389 HG SER 52 HG SER 52 -24.474 19.282 -1.193 390 H GLY 53 H GLY 53 -28.516 18.530 -3.883 391 HA2 GLY 53 1HA GLY 53 -30.831 18.560 -3.567 392 HA3 GLY 53 2HA GLY 53 -30.571 18.515 -1.829 393 H ARG 54 H ARG 54 -28.645 20.855 -3.286 394 HA ARG 54 HA ARG 54 -30.648 22.951 -2.767 395 HB2 ARG 54 1HB ARG 54 -27.716 22.987 -2.031 396 HB3 ARG 54 2HB ARG 54 -28.802 24.364 -1.892 397 HG2 ARG 54 1HG ARG 54 -30.186 23.058 -0.310 398 HG3 ARG 54 2HG ARG 54 -28.991 21.762 -0.392 399 HD2 ARG 54 1HD ARG 54 -28.392 22.952 1.522 400 HD3 ARG 54 2HD ARG 54 -27.289 23.557 0.286 401 HE ARG 54 HE ARG 54 -29.513 25.225 0.300 402 HH11 ARG 54 1HH1 ARG 54 -26.927 24.314 2.445 403 HH12 ARG 54 2HH1 ARG 54 -26.906 25.834 3.276 404 HH21 ARG 54 1HH2 ARG 54 -29.495 27.230 1.387 405 HH22 ARG 54 2HH2 ARG 54 -28.368 27.492 2.674 406 H ASN 55 H ASN 55 -29.715 25.146 -3.658 407 HA ASN 55 HA ASN 55 -29.783 25.105 -6.390 408 HB2 ASN 55 1HB ASN 55 -28.377 27.086 -4.589 409 HB3 ASN 55 2HB ASN 55 -28.684 27.357 -6.302 410 HD21 ASN 55 2HD2 ASN 55 -30.015 27.286 -3.135 411 HD22 ASN 55 1HD2 ASN 55 -31.590 27.867 -3.547 412 H THR 56 H THR 56 -26.749 25.993 -4.773 413 HA THR 56 HA THR 56 -25.254 24.027 -6.286 414 HB THR 56 HB THR 56 -23.683 26.042 -7.009 415 HG1 THR 56 HG1 THR 56 -24.670 27.924 -7.112 416 HG21 THR 56 3HG2 THR 56 -26.129 25.611 -8.684 417 HG22 THR 56 1HG2 THR 56 -25.011 24.281 -8.387 418 HG23 THR 56 2HG2 THR 56 -24.443 25.748 -9.184 419 H PHE 57 H PHE 57 -23.487 23.386 -5.201 420 HA PHE 57 HA PHE 57 -22.242 25.158 -3.252 421 HB2 PHE 57 1HB PHE 57 -22.735 23.968 -1.377 422 HB3 PHE 57 2HB PHE 57 -24.148 23.498 -2.316 423 HD1 PHE 57 HD2 PHE 57 -23.513 21.433 -4.008 424 HD2 PHE 57 HD1 PHE 57 -21.752 22.263 -0.223 425 HE1 PHE 57 HE2 PHE 57 -22.868 19.068 -3.792 426 HE2 PHE 57 HE1 PHE 57 -21.104 19.900 -0.001 427 HZ PHE 57 HZ PHE 57 -21.663 18.298 -1.787 428 HA PRO 58 HA PRO 58 -18.497 23.227 -4.468 429 HB2 PRO 58 1HB PRO 58 -17.099 23.105 -2.144 430 HB3 PRO 58 2HB PRO 58 -17.404 24.619 -3.003 431 HG2 PRO 58 1HG PRO 58 -18.828 23.463 -0.637 432 HG3 PRO 58 2HG PRO 58 -18.321 25.137 -0.930 433 HD2 PRO 58 1HD PRO 58 -20.869 24.300 -1.303 434 HD3 PRO 58 2HD PRO 58 -20.131 25.581 -2.286 435 H GLN 59 H GLN 59 -18.110 21.180 -5.005 436 HA GLN 59 HA GLN 59 -18.863 19.057 -3.117 437 HB2 GLN 59 1HB GLN 59 -19.006 19.337 -6.039 438 HB3 GLN 59 2HB GLN 59 -18.397 17.780 -5.492 439 HG2 GLN 59 1HG GLN 59 -20.473 17.122 -5.142 440 HG3 GLN 59 2HG GLN 59 -20.640 18.364 -3.902 441 HE21 GLN 59 2HE2 GLN 59 -20.516 20.636 -5.475 442 HE22 GLN 59 1HE2 GLN 59 -21.917 20.702 -6.483 443 H ILE 60 H ILE 60 -17.352 17.785 -2.250 444 HA ILE 60 HA ILE 60 -14.620 17.950 -3.343 445 HB ILE 60 HB ILE 60 -15.562 17.666 -0.498 446 HG12 ILE 60 1HG1 ILE 60 -13.817 19.561 -0.286 447 HG13 ILE 60 2HG1 ILE 60 -13.917 19.660 -2.040 448 HG21 ILE 60 1HG2 ILE 60 -13.871 16.035 -0.633 449 HG22 ILE 60 2HG2 ILE 60 -12.867 17.046 -1.671 450 HG23 ILE 60 3HG2 ILE 60 -13.083 17.468 0.027 451 HD11 ILE 60 3HD1 ILE 60 -16.311 19.883 -0.243 452 HD12 ILE 60 1HD1 ILE 60 -15.358 21.268 -0.774 453 HD13 ILE 60 2HD1 ILE 60 -16.201 20.270 -1.959 454 H PHE 61 H PHE 61 -14.484 16.166 -4.604 455 HA PHE 61 HA PHE 61 -15.436 13.604 -3.580 456 HB2 PHE 61 1HB PHE 61 -14.186 14.184 -6.269 457 HB3 PHE 61 2HB PHE 61 -15.107 12.757 -5.808 458 HD1 PHE 61 HD1 PHE 61 -17.499 13.605 -4.646 459 HD2 PHE 61 HD2 PHE 61 -15.306 15.498 -7.764 460 HE1 PHE 61 HE1 PHE 61 -19.564 14.681 -5.440 461 HE2 PHE 61 HE2 PHE 61 -17.368 16.578 -8.563 462 HZ PHE 61 HZ PHE 61 -19.500 16.170 -7.401 463 H ILE 62 H ILE 62 -14.096 12.465 -2.355 464 HA ILE 62 HA ILE 62 -11.216 12.536 -2.979 465 HB ILE 62 HB ILE 62 -12.544 12.067 -0.307 466 HG12 ILE 62 1HG1 ILE 62 -10.818 14.332 -1.331 467 HG13 ILE 62 2HG1 ILE 62 -12.541 14.417 -0.980 468 HG21 ILE 62 1HG2 ILE 62 -10.575 10.671 -0.537 469 HG22 ILE 62 2HG2 ILE 62 -9.623 12.062 -1.054 470 HG23 ILE 62 3HG2 ILE 62 -10.256 11.989 0.590 471 HD11 ILE 62 3HD1 ILE 62 -11.690 15.338 0.916 472 HD12 ILE 62 1HD1 ILE 62 -11.749 13.645 1.404 473 HD13 ILE 62 2HD1 ILE 62 -10.226 14.357 0.872 474 H GLY 63 H GLY 63 -10.574 10.729 -3.944 475 HA2 GLY 63 1HA GLY 63 -10.259 8.495 -4.377 476 HA3 GLY 63 2HA GLY 63 -10.901 8.177 -2.773 477 H SER 64 H SER 64 -12.840 7.238 -2.605 478 HA SER 64 HA SER 64 -14.518 7.128 -5.026 479 HB2 SER 64 1HB SER 64 -13.302 4.970 -4.317 480 HB3 SER 64 2HB SER 64 -14.432 4.933 -2.963 481 HG SER 64 HG SER 64 -15.264 3.741 -4.685 482 H VAL 65 H VAL 65 -14.419 8.696 -2.323 483 HA VAL 65 HA VAL 65 -17.278 8.325 -1.708 484 HB VAL 65 HB VAL 65 -15.197 9.272 0.262 485 HG11 VAL 65 1HG1 VAL 65 -17.233 8.381 1.751 486 HG12 VAL 65 2HG1 VAL 65 -17.123 10.045 1.173 487 HG13 VAL 65 3HG1 VAL 65 -18.128 8.877 0.314 488 HG21 VAL 65 3HG2 VAL 65 -16.168 6.794 1.090 489 HG22 VAL 65 1HG2 VAL 65 -15.816 6.597 -0.627 490 HG23 VAL 65 2HG2 VAL 65 -14.554 7.151 0.474 491 H HIS 66 H HIS 66 -18.474 10.202 -1.193 492 HA HIS 66 HA HIS 66 -17.324 12.649 -2.333 493 HB2 HIS 66 1HB HIS 66 -19.369 11.908 -3.409 494 HB3 HIS 66 2HB HIS 66 -20.201 11.844 -1.858 495 HD1 HIS 66 HD1 HIS 66 -21.971 13.537 -2.728 496 HD2 HIS 66 HD2 HIS 66 -18.089 15.015 -2.610 497 HE1 HIS 66 HE1 HIS 66 -22.191 16.027 -3.001 498 H VAL 67 H VAL 67 -16.287 13.665 -0.689 499 HA VAL 67 HA VAL 67 -16.952 13.716 1.992 500 HB VAL 67 HB VAL 67 -15.609 15.870 0.357 501 HG11 VAL 67 1HG1 VAL 67 -15.887 15.551 3.337 502 HG12 VAL 67 2HG1 VAL 67 -14.669 16.580 2.580 503 HG13 VAL 67 3HG1 VAL 67 -16.384 16.919 2.342 504 HG21 VAL 67 3HG2 VAL 67 -14.136 14.137 0.208 505 HG22 VAL 67 1HG2 VAL 67 -13.635 14.790 1.768 506 HG23 VAL 67 2HG2 VAL 67 -14.699 13.385 1.701 507 H GLY 68 H GLY 68 -17.340 16.652 0.032 508 HA2 GLY 68 1HA GLY 68 -20.009 17.099 0.077 509 HA3 GLY 68 2HA GLY 68 -19.526 17.511 1.715 510 H GLY 69 H GLY 69 -19.314 19.626 1.973 511 HA2 GLY 69 1HA GLY 69 -17.925 21.151 -0.128 512 HA3 GLY 69 2HA GLY 69 -19.466 21.727 0.490 513 H CYS 70 H CYS 70 -18.599 23.649 1.272 514 HA CYS 70 HA CYS 70 -16.321 23.932 2.838 515 HB2 CYS 70 1HB CYS 70 -17.419 25.867 1.907 516 HB3 CYS 70 2HB CYS 70 -18.881 25.538 2.829 517 HG CYS 70 HG CYS 70 -17.793 26.162 5.293 518 H ASP 71 H ASP 71 -19.672 23.335 3.834 519 HA ASP 71 HA ASP 71 -19.280 23.443 6.598 520 HB2 ASP 71 1HB ASP 71 -21.477 23.289 5.249 521 HB3 ASP 71 2HB ASP 71 -21.227 21.546 5.309 522 H ASP 72 H ASP 72 -19.189 20.645 4.405 523 HA ASP 72 HA ASP 72 -18.578 18.727 6.371 524 HB2 ASP 72 1HB ASP 72 -18.118 18.792 3.390 525 HB3 ASP 72 2HB ASP 72 -17.697 17.398 4.381 526 H LEU 73 H LEU 73 -16.440 20.404 4.064 527 HA LEU 73 HA LEU 73 -14.027 19.325 4.904 528 HB2 LEU 73 1HB LEU 73 -14.715 21.043 2.987 529 HB3 LEU 73 2HB LEU 73 -14.076 22.195 4.158 530 HG LEU 73 HG LEU 73 -11.923 21.027 4.127 531 HD11 LEU 73 1HD1 LEU 73 -11.668 18.980 3.313 532 HD12 LEU 73 2HD1 LEU 73 -12.334 19.459 1.753 533 HD13 LEU 73 3HD1 LEU 73 -13.410 18.924 3.044 534 HD21 LEU 73 3HD2 LEU 73 -12.588 21.488 1.257 535 HD22 LEU 73 1HD2 LEU 73 -11.177 21.998 2.185 536 HD23 LEU 73 2HD2 LEU 73 -12.719 22.827 2.399 537 H TYR 74 H TYR 74 -15.714 22.211 6.092 538 HA TYR 74 HA TYR 74 -13.729 22.928 7.984 539 HB2 TYR 74 1HB TYR 74 -16.565 23.707 7.474 540 HB3 TYR 74 2HB TYR 74 -15.851 24.130 9.026 541 HD1 TYR 74 HD1 TYR 74 -14.153 24.027 5.725 542 HD2 TYR 74 HD2 TYR 74 -15.678 26.467 8.859 543 HE1 TYR 74 HE1 TYR 74 -13.098 25.996 4.697 544 HE2 TYR 74 HE2 TYR 74 -14.628 28.443 7.839 545 HH TYR 74 HH TYR 74 -12.742 28.941 6.308 546 H ALA 75 H ALA 75 -16.470 20.767 8.058 547 HA ALA 75 HA ALA 75 -16.524 20.454 10.902 548 HB1 ALA 75 1HB ALA 75 -18.547 20.004 9.780 549 HB2 ALA 75 2HB ALA 75 -17.763 18.910 8.640 550 HB3 ALA 75 3HB ALA 75 -17.950 18.437 10.329 551 H LEU 76 H LEU 76 -14.824 18.938 8.265 552 HA LEU 76 HA LEU 76 -13.973 16.653 9.788 553 HB2 LEU 76 1HB LEU 76 -13.412 17.746 7.076 554 HB3 LEU 76 2HB LEU 76 -12.294 16.570 7.761 555 HG LEU 76 HG LEU 76 -14.354 15.884 6.214 556 HD11 LEU 76 1HD1 LEU 76 -12.808 14.250 6.805 557 HD12 LEU 76 2HD1 LEU 76 -14.314 13.666 7.512 558 HD13 LEU 76 3HD1 LEU 76 -13.108 14.451 8.532 559 HD21 LEU 76 3HD2 LEU 76 -15.485 15.620 8.994 560 HD22 LEU 76 1HD2 LEU 76 -16.252 15.170 7.471 561 HD23 LEU 76 2HD2 LEU 76 -15.972 16.870 7.847 562 H GLU 77 H GLU 77 -12.379 19.589 8.558 563 HA GLU 77 HA GLU 77 -9.844 19.144 9.595 564 HB2 GLU 77 1HB GLU 77 -9.390 21.379 9.147 565 HB3 GLU 77 2HB GLU 77 -10.723 21.035 8.054 566 HG2 GLU 77 1HG GLU 77 -12.208 21.931 9.972 567 HG3 GLU 77 2HG GLU 77 -10.711 22.649 10.565 568 H ASP 78 H ASP 78 -12.755 20.232 11.180 569 HA ASP 78 HA ASP 78 -11.610 21.292 13.521 570 HB2 ASP 78 1HB ASP 78 -14.101 21.265 12.596 571 HB3 ASP 78 2HB ASP 78 -14.229 19.870 13.665 572 H GLU 79 H GLU 79 -12.100 18.041 12.448 573 HA GLU 79 HA GLU 79 -11.452 17.005 15.120 574 HB2 GLU 79 1HB GLU 79 -12.338 15.371 12.749 575 HB3 GLU 79 2HB GLU 79 -12.354 14.915 14.447 576 HG2 GLU 79 1HG GLU 79 -13.957 17.108 14.464 577 HG3 GLU 79 2HG GLU 79 -14.311 16.422 12.880 578 H GLY 80 H GLY 80 -10.193 17.471 11.961 579 HA2 GLY 80 1HA GLY 80 -8.010 17.207 11.233 580 HA3 GLY 80 2HA GLY 80 -7.621 16.466 12.779 581 H LYS 81 H LYS 81 -10.256 15.307 10.814 582 HA LYS 81 HA LYS 81 -8.838 12.769 10.494 583 HB2 LYS 81 1HB LYS 81 -11.741 13.381 9.924 584 HB3 LYS 81 2HB LYS 81 -10.998 11.791 10.041 585 HG2 LYS 81 1HG LYS 81 -11.198 13.753 12.316 586 HG3 LYS 81 2HG LYS 81 -12.319 12.419 12.033 587 HD2 LYS 81 1HD LYS 81 -10.812 10.836 12.684 588 HD3 LYS 81 2HD LYS 81 -9.423 11.775 12.131 589 HE2 LYS 81 1HE LYS 81 -9.133 11.994 14.378 590 HE3 LYS 81 2HE LYS 81 -10.198 13.372 14.102 591 HZ1 LYS 81 3HZ LYS 81 -10.855 10.742 15.270 592 HZ2 LYS 81 1HZ LYS 81 -12.064 11.721 14.603 593 HZ3 LYS 81 2HZ LYS 81 -11.141 12.285 15.903 594 H LEU 82 H LEU 82 -9.900 15.495 8.690 595 HA LEU 82 HA LEU 82 -10.296 14.491 6.152 596 HB2 LEU 82 1HB LEU 82 -10.432 16.904 7.034 597 HB3 LEU 82 2HB LEU 82 -8.720 16.998 6.626 598 HG LEU 82 HG LEU 82 -9.547 16.213 4.268 599 HD11 LEU 82 1HD1 LEU 82 -11.867 15.819 5.005 600 HD12 LEU 82 2HD1 LEU 82 -11.757 16.999 3.699 601 HD13 LEU 82 3HD1 LEU 82 -12.025 17.540 5.356 602 HD21 LEU 82 3HD2 LEU 82 -10.062 19.024 5.228 603 HD22 LEU 82 1HD2 LEU 82 -9.694 18.514 3.581 604 HD23 LEU 82 2HD2 LEU 82 -8.469 18.369 4.842 605 H ASP 83 H ASP 83 -7.268 15.109 7.838 606 HA ASP 83 HA ASP 83 -5.474 14.845 5.736 607 HB2 ASP 83 1HB ASP 83 -5.316 14.325 8.677 608 HB3 ASP 83 2HB ASP 83 -3.979 13.815 7.650 609 H SER 84 H SER 84 -7.006 12.348 7.716 610 HA SER 84 HA SER 84 -5.597 10.207 6.405 611 HB2 SER 84 1HB SER 84 -8.079 9.843 8.064 612 HB3 SER 84 2HB SER 84 -6.700 8.758 7.884 613 HG SER 84 HG SER 84 -7.093 10.608 9.740 614 H LEU 85 H LEU 85 -8.591 11.905 5.984 615 HA LEU 85 HA LEU 85 -9.959 9.970 4.440 616 HB2 LEU 85 1HB LEU 85 -10.236 12.860 4.996 617 HB3 LEU 85 2HB LEU 85 -11.007 12.263 3.528 618 HG LEU 85 HG LEU 85 -12.593 12.345 5.362 619 HD11 LEU 85 1HD1 LEU 85 -12.100 10.166 3.714 620 HD12 LEU 85 2HD1 LEU 85 -13.590 10.516 4.590 621 HD13 LEU 85 3HD1 LEU 85 -12.371 9.464 5.310 622 HD21 LEU 85 3HD2 LEU 85 -10.542 10.652 6.757 623 HD22 LEU 85 1HD2 LEU 85 -12.237 10.660 7.247 624 HD23 LEU 85 2HD2 LEU 85 -11.296 12.151 7.304 625 H LEU 86 H LEU 86 -7.830 12.664 3.577 626 HA LEU 86 HA LEU 86 -8.059 12.114 0.751 627 HB2 LEU 86 1HB LEU 86 -6.406 13.908 0.499 628 HB3 LEU 86 2HB LEU 86 -7.792 14.398 1.471 629 HG LEU 86 HG LEU 86 -6.122 13.673 3.437 630 HD11 LEU 86 1HD1 LEU 86 -3.876 14.688 2.753 631 HD12 LEU 86 2HD1 LEU 86 -4.398 14.404 1.093 632 HD13 LEU 86 3HD1 LEU 86 -4.235 13.049 2.210 633 HD21 LEU 86 3HD2 LEU 86 -6.167 15.861 3.956 634 HD22 LEU 86 1HD2 LEU 86 -7.244 15.977 2.564 635 HD23 LEU 86 2HD2 LEU 86 -5.531 16.355 2.386 636 H LYS 87 H LYS 87 -5.982 11.229 3.370 637 HA LYS 87 HA LYS 87 -3.748 10.431 1.768 638 HB2 LYS 87 1HB LYS 87 -4.523 10.251 4.626 639 HB3 LYS 87 2HB LYS 87 -3.374 9.051 4.048 640 HG2 LYS 87 1HG LYS 87 -1.756 10.636 3.577 641 HG3 LYS 87 2HG LYS 87 -2.927 11.953 3.491 642 HD2 LYS 87 1HD LYS 87 -2.070 12.412 5.543 643 HD3 LYS 87 2HD LYS 87 -3.292 11.238 6.039 644 HE2 LYS 87 1HE LYS 87 -1.181 10.724 7.101 645 HE3 LYS 87 2HE LYS 87 -1.586 9.463 5.938 646 HZ1 LYS 87 3HZ LYS 87 0.050 10.157 4.487 647 HZ2 LYS 87 1HZ LYS 87 0.794 10.398 5.988 648 HZ3 LYS 87 2HZ LYS 87 0.143 11.712 5.146 649 H THR 88 H THR 88 -6.427 8.719 3.344 650 HA THR 88 HA THR 88 -5.608 6.203 2.132 651 HB THR 88 HB THR 88 -7.282 5.143 3.450 652 HG1 THR 88 HG1 THR 88 -8.299 7.773 3.830 653 HG21 THR 88 3HG2 THR 88 -5.333 5.805 4.729 654 HG22 THR 88 1HG2 THR 88 -6.775 5.953 5.733 655 HG23 THR 88 2HG2 THR 88 -6.036 7.393 5.033 656 H GLY 89 H GLY 89 -8.223 8.567 1.907 657 HA2 GLY 89 1HA GLY 89 -9.426 9.047 -0.056 658 HA3 GLY 89 2HA GLY 89 -8.877 7.523 -0.738 659 H LYS 90 H LYS 90 -10.127 7.433 2.460 660 HA LYS 90 HA LYS 90 -12.872 7.119 1.888 661 HB2 LYS 90 1HB LYS 90 -13.099 4.701 2.113 662 HB3 LYS 90 2HB LYS 90 -12.096 5.097 0.725 663 HG2 LYS 90 1HG LYS 90 -10.800 4.513 3.345 664 HG3 LYS 90 2HG LYS 90 -11.406 3.185 2.353 665 HD2 LYS 90 1HD LYS 90 -10.086 4.432 0.452 666 HD3 LYS 90 2HD LYS 90 -9.191 5.109 1.814 667 HE2 LYS 90 1HE LYS 90 -9.599 2.169 1.273 668 HE3 LYS 90 2HE LYS 90 -8.133 3.079 0.910 669 HZ1 LYS 90 3HZ LYS 90 -9.013 3.348 3.635 670 HZ2 LYS 90 1HZ LYS 90 -7.475 2.991 3.024 671 HZ3 LYS 90 2HZ LYS 90 -8.617 1.758 3.215 672 H LEU 91 H LEU 91 -14.099 6.345 3.759 673 HA LEU 91 HA LEU 91 -12.614 6.827 6.251 674 HB2 LEU 91 1HB LEU 91 -14.918 7.279 7.189 675 HB3 LEU 91 2HB LEU 91 -14.290 8.451 6.033 676 HG LEU 91 HG LEU 91 -16.066 6.281 5.028 677 HD11 LEU 91 1HD1 LEU 91 -18.021 7.776 5.517 678 HD12 LEU 91 2HD1 LEU 91 -16.975 8.664 6.625 679 HD13 LEU 91 3HD1 LEU 91 -17.328 6.961 6.919 680 HD21 LEU 91 3HD2 LEU 91 -14.842 8.516 3.944 681 HD22 LEU 91 1HD2 LEU 91 -16.522 9.007 4.159 682 HD23 LEU 91 2HD2 LEU 91 -16.139 7.568 3.213 683 H ILE 92 H ILE 92 -12.714 5.404 7.935 684 HA ILE 92 HA ILE 92 -13.196 2.694 7.388 685 HB ILE 92 HB ILE 92 -12.907 2.312 9.796 686 HG12 ILE 92 1HG1 ILE 92 -12.236 4.607 11.007 687 HG13 ILE 92 2HG1 ILE 92 -13.429 5.239 9.877 688 HG21 ILE 92 1HG2 ILE 92 -11.059 3.833 8.122 689 HG22 ILE 92 2HG2 ILE 92 -10.715 3.945 9.848 690 HG23 ILE 92 3HG2 ILE 92 -10.792 2.367 9.065 691 HD11 ILE 92 3HD1 ILE 92 -15.088 4.513 11.143 692 HD12 ILE 92 1HD1 ILE 92 -14.428 2.878 11.166 693 HD13 ILE 92 2HD1 ILE 92 -13.893 4.062 12.359 Start of MODEL 7 1 H1 GLY 1 H GLY 1 9.789 7.245 2.918 2 HA2 GLY 1 1HA GLY 1 8.758 5.415 4.928 3 HA3 GLY 1 2HA GLY 1 8.361 7.109 5.173 4 HA PRO 2 HA PRO 2 5.220 5.003 2.368 5 HB2 PRO 2 1HB PRO 2 3.074 5.353 3.993 6 HB3 PRO 2 2HB PRO 2 4.116 3.928 4.072 7 HG2 PRO 2 1HG PRO 2 4.121 6.375 5.796 8 HG3 PRO 2 2HG PRO 2 4.283 4.673 6.268 9 HD2 PRO 2 1HD PRO 2 6.410 6.335 6.057 10 HD3 PRO 2 2HD PRO 2 6.516 4.599 5.704 11 H GLY 3 H GLY 3 3.711 6.091 1.099 12 HA2 GLY 3 1HA GLY 3 2.841 8.757 1.802 13 HA3 GLY 3 2HA GLY 3 4.016 8.708 0.496 14 H SER 4 H SER 4 0.974 7.127 1.470 15 HA SER 4 HA SER 4 0.276 6.600 -1.279 16 HB2 SER 4 1HB SER 4 -0.451 4.935 0.233 17 HB3 SER 4 2HB SER 4 -1.106 6.124 1.358 18 HG SER 4 HG SER 4 -2.599 4.910 -0.136 19 H MET 5 H MET 5 -1.634 7.394 -2.321 20 HA MET 5 HA MET 5 -2.981 9.697 -1.215 21 HB2 MET 5 1HB MET 5 -0.825 10.557 -2.237 22 HB3 MET 5 2HB MET 5 -1.460 10.051 -3.796 23 HG2 MET 5 1HG MET 5 -3.446 11.521 -3.346 24 HG3 MET 5 2HG MET 5 -2.568 12.145 -1.951 25 HE1 MET 5 3HE MET 5 -3.183 12.426 -5.726 26 HE2 MET 5 1HE MET 5 -3.772 13.663 -4.614 27 HE3 MET 5 2HE MET 5 -2.560 14.073 -5.828 28 H VAL 6 H VAL 6 -4.923 10.159 -2.241 29 HA VAL 6 HA VAL 6 -5.701 8.265 -4.362 30 HB VAL 6 HB VAL 6 -8.040 8.530 -3.503 31 HG11 VAL 6 1HG1 VAL 6 -6.088 6.814 -2.726 32 HG12 VAL 6 2HG1 VAL 6 -6.604 7.470 -1.171 33 HG13 VAL 6 3HG1 VAL 6 -7.777 6.693 -2.235 34 HG21 VAL 6 3HG2 VAL 6 -7.139 9.388 -0.854 35 HG22 VAL 6 1HG2 VAL 6 -7.027 10.638 -2.093 36 HG23 VAL 6 2HG2 VAL 6 -8.572 9.852 -1.771 37 H ASP 7 H ASP 7 -7.047 9.005 -6.025 38 HA ASP 7 HA ASP 7 -6.567 11.618 -6.931 39 HB2 ASP 7 1HB ASP 7 -8.595 9.545 -7.772 40 HB3 ASP 7 2HB ASP 7 -8.396 11.083 -8.606 41 H VAL 8 H VAL 8 -7.367 13.450 -6.168 42 HA VAL 8 HA VAL 8 -10.016 13.425 -4.891 43 HB VAL 8 HB VAL 8 -7.794 15.457 -4.640 44 HG11 VAL 8 1HG1 VAL 8 -9.179 16.395 -2.822 45 HG12 VAL 8 2HG1 VAL 8 -9.954 16.517 -4.403 46 HG13 VAL 8 3HG1 VAL 8 -10.470 15.276 -3.260 47 HG21 VAL 8 3HG2 VAL 8 -8.776 13.322 -2.749 48 HG22 VAL 8 1HG2 VAL 8 -7.196 13.410 -3.527 49 HG23 VAL 8 2HG2 VAL 8 -7.647 14.605 -2.311 50 H ILE 9 H ILE 9 -11.653 14.654 -5.645 51 HA ILE 9 HA ILE 9 -11.077 16.520 -7.848 52 HB ILE 9 HB ILE 9 -13.504 14.732 -7.774 53 HG12 ILE 9 1HG1 ILE 9 -10.964 14.397 -9.385 54 HG13 ILE 9 2HG1 ILE 9 -11.465 13.375 -8.042 55 HG21 ILE 9 1HG2 ILE 9 -12.330 16.456 -9.952 56 HG22 ILE 9 2HG2 ILE 9 -13.760 15.436 -10.102 57 HG23 ILE 9 3HG2 ILE 9 -13.774 16.818 -9.006 58 HD11 ILE 9 3HD1 ILE 9 -12.280 12.074 -9.667 59 HD12 ILE 9 1HD1 ILE 9 -13.633 13.204 -9.644 60 HD13 ILE 9 2HD1 ILE 9 -12.345 13.393 -10.835 61 H ILE 10 H ILE 10 -12.244 18.395 -7.880 62 HA ILE 10 HA ILE 10 -14.306 18.746 -5.812 63 HB ILE 10 HB ILE 10 -12.109 19.734 -5.098 64 HG12 ILE 10 1HG1 ILE 10 -14.132 21.917 -5.523 65 HG13 ILE 10 2HG1 ILE 10 -14.491 20.551 -4.474 66 HG21 ILE 10 1HG2 ILE 10 -11.338 20.452 -7.302 67 HG22 ILE 10 2HG2 ILE 10 -12.641 21.638 -7.375 68 HG23 ILE 10 3HG2 ILE 10 -11.368 21.800 -6.165 69 HD11 ILE 10 3HD1 ILE 10 -13.672 22.469 -3.219 70 HD12 ILE 10 1HD1 ILE 10 -12.574 21.096 -3.088 71 HD13 ILE 10 2HD1 ILE 10 -12.176 22.445 -4.153 72 H TYR 11 H TYR 11 -16.075 19.876 -6.418 73 HA TYR 11 HA TYR 11 -16.070 20.997 -9.143 74 HB2 TYR 11 1HB TYR 11 -17.867 19.148 -7.810 75 HB3 TYR 11 2HB TYR 11 -18.729 20.552 -8.426 76 HD1 TYR 11 HD1 TYR 11 -15.957 18.349 -9.645 77 HD2 TYR 11 HD2 TYR 11 -19.682 20.221 -10.491 78 HE1 TYR 11 HE1 TYR 11 -15.932 17.365 -11.900 79 HE2 TYR 11 HE2 TYR 11 -19.669 19.242 -12.747 80 HH TYR 11 HH TYR 11 -16.934 17.291 -13.887 81 H THR 12 H THR 12 -16.089 23.137 -9.134 82 HA THR 12 HA THR 12 -17.819 24.526 -7.205 83 HB THR 12 HB THR 12 -16.194 26.220 -6.774 84 HG1 THR 12 HG1 THR 12 -15.045 26.534 -8.585 85 HG21 THR 12 3HG2 THR 12 -14.797 25.051 -5.391 86 HG22 THR 12 1HG2 THR 12 -14.411 23.845 -6.618 87 HG23 THR 12 2HG2 THR 12 -15.955 23.775 -5.769 88 H ARG 13 H ARG 13 -17.656 27.055 -7.938 89 HA ARG 13 HA ARG 13 -17.788 27.301 -10.830 90 HB2 ARG 13 1HB ARG 13 -20.057 28.166 -10.857 91 HB3 ARG 13 2HB ARG 13 -20.046 26.539 -10.188 92 HG2 ARG 13 1HG ARG 13 -21.051 27.256 -8.355 93 HG3 ARG 13 2HG ARG 13 -19.748 28.408 -8.059 94 HD2 ARG 13 1HD ARG 13 -21.426 29.907 -8.288 95 HD3 ARG 13 2HD ARG 13 -21.054 29.712 -10.000 96 HE ARG 13 HE ARG 13 -23.062 28.634 -10.288 97 HH11 ARG 13 1HH1 ARG 13 -22.375 28.939 -6.889 98 HH12 ARG 13 2HH1 ARG 13 -23.951 28.419 -6.391 99 HH21 ARG 13 1HH2 ARG 13 -25.140 27.948 -9.645 100 HH22 ARG 13 2HH2 ARG 13 -25.523 27.855 -7.959 101 HA PRO 14 HA PRO 14 -16.337 31.366 -10.043 102 HB2 PRO 14 1HB PRO 14 -17.412 32.741 -12.123 103 HB3 PRO 14 2HB PRO 14 -16.081 31.594 -12.315 104 HG2 PRO 14 1HG PRO 14 -19.007 31.202 -12.816 105 HG3 PRO 14 2HG PRO 14 -17.624 30.676 -13.794 106 HD2 PRO 14 1HD PRO 14 -18.954 29.002 -12.132 107 HD3 PRO 14 2HD PRO 14 -17.216 28.843 -12.458 108 H GLY 15 H GLY 15 -17.126 32.380 -8.285 109 HA2 GLY 15 1HA GLY 15 -18.421 34.333 -7.614 110 HA3 GLY 15 2HA GLY 15 -19.759 33.688 -8.553 111 H CYS 16 H CYS 16 -17.959 31.411 -6.732 112 HA CYS 16 HA CYS 16 -20.156 31.270 -4.778 113 HB2 CYS 16 1HB CYS 16 -19.849 29.298 -6.289 114 HB3 CYS 16 2HB CYS 16 -18.254 29.061 -5.582 115 HA PRO 17 HA PRO 17 -16.959 32.627 -1.939 116 HB2 PRO 17 1HB PRO 17 -18.637 32.937 0.173 117 HB3 PRO 17 2HB PRO 17 -18.501 34.125 -1.129 118 HG2 PRO 17 1HG PRO 17 -20.558 31.988 -0.721 119 HG3 PRO 17 2HG PRO 17 -20.780 33.673 -1.228 120 HD2 PRO 17 1HD PRO 17 -20.790 31.610 -2.982 121 HD3 PRO 17 2HD PRO 17 -20.191 33.225 -3.411 122 H TYR 18 H TYR 18 -19.523 30.390 -0.852 123 HA TYR 18 HA TYR 18 -18.054 29.185 1.200 124 HB2 TYR 18 1HB TYR 18 -20.214 27.870 -0.456 125 HB3 TYR 18 2HB TYR 18 -19.729 27.447 1.183 126 HD1 TYR 18 HD1 TYR 18 -19.686 29.835 2.685 127 HD2 TYR 18 HD2 TYR 18 -22.318 28.800 -0.494 128 HE1 TYR 18 HE1 TYR 18 -21.373 31.381 3.586 129 HE2 TYR 18 HE2 TYR 18 -24.012 30.345 0.398 130 HH TYR 18 HH TYR 18 -24.585 31.652 2.123 131 H CYS 19 H CYS 19 -18.073 28.642 -2.239 132 HA CYS 19 HA CYS 19 -16.794 26.096 -2.189 133 HB2 CYS 19 1HB CYS 19 -16.917 28.149 -4.408 134 HB3 CYS 19 2HB CYS 19 -16.434 26.466 -4.592 135 H ALA 20 H ALA 20 -15.605 29.378 -2.902 136 HA ALA 20 HA ALA 20 -12.942 28.812 -3.333 137 HB1 ALA 20 1HB ALA 20 -13.097 31.004 -3.692 138 HB2 ALA 20 2HB ALA 20 -14.499 31.157 -2.632 139 HB3 ALA 20 3HB ALA 20 -12.871 31.207 -1.954 140 H ARG 21 H ARG 21 -14.585 29.378 -0.240 141 HA ARG 21 HA ARG 21 -12.385 29.361 1.448 142 HB2 ARG 21 1HB ARG 21 -15.247 28.534 1.817 143 HB3 ARG 21 2HB ARG 21 -14.087 28.331 3.123 144 HG2 ARG 21 1HG ARG 21 -14.717 30.938 1.753 145 HG3 ARG 21 2HG ARG 21 -15.366 30.415 3.309 146 HD2 ARG 21 1HD ARG 21 -12.783 30.103 3.842 147 HD3 ARG 21 2HD ARG 21 -12.637 31.340 2.594 148 HE ARG 21 HE ARG 21 -13.593 31.696 5.264 149 HH11 ARG 21 1HH1 ARG 21 -13.853 32.867 1.996 150 HH12 ARG 21 2HH1 ARG 21 -14.356 34.457 2.467 151 HH21 ARG 21 1HH2 ARG 21 -14.254 33.784 5.897 152 HH22 ARG 21 2HH2 ARG 21 -14.583 34.978 4.687 153 H ALA 22 H ALA 22 -14.398 26.599 0.445 154 HA ALA 22 HA ALA 22 -13.020 24.606 1.822 155 HB1 ALA 22 1HB ALA 22 -13.968 23.653 -0.731 156 HB2 ALA 22 2HB ALA 22 -14.556 23.294 0.893 157 HB3 ALA 22 3HB ALA 22 -15.152 24.714 0.034 158 H LYS 23 H LYS 23 -12.581 25.712 -1.536 159 HA LYS 23 HA LYS 23 -10.485 24.004 -2.218 160 HB2 LYS 23 1HB LYS 23 -10.953 26.828 -3.193 161 HB3 LYS 23 2HB LYS 23 -9.968 25.611 -3.994 162 HG2 LYS 23 1HG LYS 23 -12.417 24.371 -3.685 163 HG3 LYS 23 2HG LYS 23 -12.831 26.039 -4.086 164 HD2 LYS 23 1HD LYS 23 -10.971 24.250 -5.651 165 HD3 LYS 23 2HD LYS 23 -12.627 24.666 -6.099 166 HE2 LYS 23 1HE LYS 23 -11.383 27.111 -5.648 167 HE3 LYS 23 2HE LYS 23 -10.171 26.149 -6.492 168 HZ1 LYS 23 3HZ LYS 23 -11.249 26.741 -8.331 169 HZ2 LYS 23 1HZ LYS 23 -12.606 27.291 -7.484 170 HZ3 LYS 23 2HZ LYS 23 -12.458 25.651 -7.870 171 H ALA 24 H ALA 24 -10.370 27.292 -0.873 172 HA ALA 24 HA ALA 24 -7.615 27.634 -0.824 173 HB1 ALA 24 1HB ALA 24 -9.178 28.687 1.467 174 HB2 ALA 24 2HB ALA 24 -8.004 29.495 0.427 175 HB3 ALA 24 3HB ALA 24 -9.644 29.206 -0.153 176 H LEU 25 H LEU 25 -9.731 26.190 1.637 177 HA LEU 25 HA LEU 25 -7.756 25.706 3.566 178 HB2 LEU 25 1HB LEU 25 -10.045 25.573 4.185 179 HB3 LEU 25 2HB LEU 25 -10.366 24.335 2.972 180 HG LEU 25 HG LEU 25 -8.956 22.763 4.274 181 HD11 LEU 25 1HD1 LEU 25 -7.486 23.838 5.613 182 HD12 LEU 25 2HD1 LEU 25 -8.796 23.679 6.783 183 HD13 LEU 25 3HD1 LEU 25 -8.575 25.194 5.908 184 HD21 LEU 25 3HD2 LEU 25 -11.037 23.821 6.133 185 HD22 LEU 25 1HD2 LEU 25 -10.663 22.155 5.692 186 HD23 LEU 25 2HD2 LEU 25 -11.516 23.198 4.553 187 H LEU 26 H LEU 26 -8.991 23.646 0.953 188 HA LEU 26 HA LEU 26 -7.520 21.349 1.523 189 HB2 LEU 26 1HB LEU 26 -8.727 22.491 -0.952 190 HB3 LEU 26 2HB LEU 26 -7.676 21.083 -1.082 191 HG LEU 26 HG LEU 26 -9.953 21.002 0.842 192 HD11 LEU 26 1HD1 LEU 26 -10.205 20.641 -2.140 193 HD12 LEU 26 2HD1 LEU 26 -10.997 21.870 -1.155 194 HD13 LEU 26 3HD1 LEU 26 -11.422 20.171 -0.953 195 HD21 LEU 26 3HD2 LEU 26 -8.682 18.943 -0.960 196 HD22 LEU 26 1HD2 LEU 26 -9.917 18.643 0.262 197 HD23 LEU 26 2HD2 LEU 26 -8.309 19.182 0.747 198 H ALA 27 H ALA 27 -6.682 24.144 -0.493 199 HA ALA 27 HA ALA 27 -4.122 23.111 -1.237 200 HB1 ALA 27 1HB ALA 27 -5.443 25.790 -1.503 201 HB2 ALA 27 2HB ALA 27 -3.755 25.545 -1.952 202 HB3 ALA 27 3HB ALA 27 -5.025 24.629 -2.763 203 H ARG 28 H ARG 28 -5.354 24.940 1.436 204 HA ARG 28 HA ARG 28 -2.967 26.157 2.301 205 HB2 ARG 28 1HB ARG 28 -5.398 26.565 3.075 206 HB3 ARG 28 2HB ARG 28 -5.123 25.222 4.175 207 HG2 ARG 28 1HG ARG 28 -3.570 26.386 5.423 208 HG3 ARG 28 2HG ARG 28 -3.206 27.509 4.111 209 HD2 ARG 28 1HD ARG 28 -5.821 27.402 5.608 210 HD3 ARG 28 2HD ARG 28 -4.511 28.529 5.958 211 HE ARG 28 HE ARG 28 -5.271 28.678 3.230 212 HH11 ARG 28 1HH1 ARG 28 -6.282 29.606 6.430 213 HH12 ARG 28 2HH1 ARG 28 -7.176 30.988 5.888 214 HH21 ARG 28 1HH2 ARG 28 -6.445 30.494 2.505 215 HH22 ARG 28 2HH2 ARG 28 -7.269 31.491 3.655 216 H LYS 29 H LYS 29 -4.066 22.906 2.427 217 HA LYS 29 HA LYS 29 -1.986 22.207 4.386 218 HB2 LYS 29 1HB LYS 29 -3.208 19.961 4.391 219 HB3 LYS 29 2HB LYS 29 -4.038 21.326 5.127 220 HG2 LYS 29 1HG LYS 29 -5.345 21.620 3.068 221 HG3 LYS 29 2HG LYS 29 -4.536 20.214 2.372 222 HD2 LYS 29 1HD LYS 29 -5.388 18.915 4.382 223 HD3 LYS 29 2HD LYS 29 -6.413 20.312 4.722 224 HE2 LYS 29 1HE LYS 29 -6.645 19.605 1.958 225 HE3 LYS 29 2HE LYS 29 -6.912 18.174 2.952 226 HZ1 LYS 29 3HZ LYS 29 -8.978 19.325 2.586 227 HZ2 LYS 29 1HZ LYS 29 -8.337 20.768 3.194 228 HZ3 LYS 29 2HZ LYS 29 -8.561 19.442 4.221 229 H GLY 30 H GLY 30 -2.168 22.586 1.213 230 HA2 GLY 30 1HA GLY 30 -0.753 21.869 -0.467 231 HA3 GLY 30 2HA GLY 30 -0.006 20.776 0.688 232 H ALA 31 H ALA 31 -3.421 20.594 0.368 233 HA ALA 31 HA ALA 31 -3.228 17.901 -0.635 234 HB1 ALA 31 1HB ALA 31 -5.541 17.717 -0.187 235 HB2 ALA 31 2HB ALA 31 -4.866 18.691 1.119 236 HB3 ALA 31 3HB ALA 31 -5.757 19.467 -0.190 237 H GLU 32 H GLU 32 -3.017 17.471 -2.725 238 HA GLU 32 HA GLU 32 -3.726 19.395 -4.745 239 HB2 GLU 32 1HB GLU 32 -2.529 16.636 -4.811 240 HB3 GLU 32 2HB GLU 32 -3.011 17.459 -6.287 241 HG2 GLU 32 1HG GLU 32 -1.439 19.189 -5.950 242 HG3 GLU 32 2HG GLU 32 -1.119 18.671 -4.296 243 H PHE 33 H PHE 33 -5.530 19.479 -5.930 244 HA PHE 33 HA PHE 33 -7.237 17.138 -6.190 245 HB2 PHE 33 1HB PHE 33 -9.252 18.384 -5.461 246 HB3 PHE 33 2HB PHE 33 -8.091 18.157 -4.156 247 HD1 PHE 33 HD2 PHE 33 -9.464 20.602 -6.550 248 HD2 PHE 33 HD1 PHE 33 -7.085 20.001 -3.072 249 HE1 PHE 33 HE2 PHE 33 -9.467 23.026 -6.133 250 HE2 PHE 33 HE1 PHE 33 -7.085 22.425 -2.649 251 HZ PHE 33 HZ PHE 33 -8.276 23.941 -4.181 252 H ASN 34 H ASN 34 -8.581 17.190 -7.984 253 HA ASN 34 HA ASN 34 -7.782 19.023 -10.053 254 HB2 ASN 34 1HB ASN 34 -8.166 16.671 -10.588 255 HB3 ASN 34 2HB ASN 34 -9.840 16.804 -10.059 256 HD21 ASN 34 2HD2 ASN 34 -10.104 15.929 -12.289 257 HD22 ASN 34 1HD2 ASN 34 -10.257 17.071 -13.576 258 H GLU 35 H GLU 35 -8.653 20.959 -10.330 259 HA GLU 35 HA GLU 35 -11.206 21.615 -9.130 260 HB2 GLU 35 1HB GLU 35 -9.331 23.196 -8.979 261 HB3 GLU 35 2HB GLU 35 -9.291 23.321 -10.732 262 HG2 GLU 35 1HG GLU 35 -11.789 24.041 -10.432 263 HG3 GLU 35 2HG GLU 35 -11.258 24.429 -8.796 264 H ILE 36 H ILE 36 -13.059 21.321 -10.158 265 HA ILE 36 HA ILE 36 -13.115 21.639 -13.086 266 HB ILE 36 HB ILE 36 -14.748 19.653 -11.502 267 HG12 ILE 36 1HG1 ILE 36 -12.487 19.118 -13.436 268 HG13 ILE 36 2HG1 ILE 36 -12.304 19.108 -11.686 269 HG21 ILE 36 1HG2 ILE 36 -14.616 20.359 -14.415 270 HG22 ILE 36 2HG2 ILE 36 -15.208 18.793 -13.864 271 HG23 ILE 36 3HG2 ILE 36 -16.028 20.271 -13.362 272 HD11 ILE 36 3HD1 ILE 36 -12.530 16.859 -12.486 273 HD12 ILE 36 1HD1 ILE 36 -13.969 17.292 -11.564 274 HD13 ILE 36 2HD1 ILE 36 -14.025 17.268 -13.326 275 H ASP 37 H ASP 37 -14.897 22.652 -13.968 276 HA ASP 37 HA ASP 37 -16.464 24.240 -12.093 277 HB2 ASP 37 1HB ASP 37 -16.010 24.382 -15.068 278 HB3 ASP 37 2HB ASP 37 -17.257 25.341 -14.274 279 H ALA 38 H ALA 38 -18.732 24.341 -12.120 280 HA ALA 38 HA ALA 38 -20.044 22.019 -13.379 281 HB1 ALA 38 1HB ALA 38 -21.040 21.460 -11.455 282 HB2 ALA 38 2HB ALA 38 -19.804 22.461 -10.693 283 HB3 ALA 38 3HB ALA 38 -21.394 23.138 -11.041 284 H SER 39 H SER 39 -20.334 25.406 -12.455 285 HA SER 39 HA SER 39 -22.957 25.818 -13.412 286 HB2 SER 39 1HB SER 39 -21.553 27.338 -11.886 287 HB3 SER 39 2HB SER 39 -20.822 27.946 -13.371 288 HG SER 39 HG SER 39 -22.766 28.740 -14.010 289 H ALA 40 H ALA 40 -20.041 25.267 -15.042 290 HA ALA 40 HA ALA 40 -20.165 26.801 -17.325 291 HB1 ALA 40 1HB ALA 40 -18.511 25.485 -18.056 292 HB2 ALA 40 2HB ALA 40 -18.632 24.700 -16.481 293 HB3 ALA 40 3HB ALA 40 -19.471 24.016 -17.873 294 H THR 41 H THR 41 -22.014 23.915 -16.517 295 HA THR 41 HA THR 41 -23.787 24.490 -18.783 296 HB THR 41 HB THR 41 -23.946 21.776 -18.712 297 HG1 THR 41 HG1 THR 41 -21.721 21.064 -18.731 298 HG21 THR 41 3HG2 THR 41 -23.823 22.913 -20.774 299 HG22 THR 41 1HG2 THR 41 -22.400 21.874 -20.739 300 HG23 THR 41 2HG2 THR 41 -22.243 23.597 -20.396 301 HA PRO 42 HA PRO 42 -27.094 23.844 -15.972 302 HB2 PRO 42 1HB PRO 42 -28.969 22.682 -17.554 303 HB3 PRO 42 2HB PRO 42 -28.524 24.388 -17.686 304 HG2 PRO 42 1HG PRO 42 -27.629 22.062 -19.345 305 HG3 PRO 42 2HG PRO 42 -28.105 23.690 -19.864 306 HD2 PRO 42 1HD PRO 42 -25.516 22.931 -19.642 307 HD3 PRO 42 2HD PRO 42 -26.053 24.596 -19.337 308 H GLU 43 H GLU 43 -26.439 21.003 -18.015 309 HA GLU 43 HA GLU 43 -27.650 19.128 -16.276 310 HB2 GLU 43 1HB GLU 43 -25.489 18.684 -18.344 311 HB3 GLU 43 2HB GLU 43 -26.478 17.431 -17.608 312 HG2 GLU 43 1HG GLU 43 -28.471 18.381 -18.617 313 HG3 GLU 43 2HG GLU 43 -27.510 19.681 -19.320 314 H LEU 44 H LEU 44 -24.259 20.077 -16.763 315 HA LEU 44 HA LEU 44 -23.070 18.342 -14.952 316 HB2 LEU 44 1HB LEU 44 -22.374 20.928 -16.179 317 HB3 LEU 44 2HB LEU 44 -21.512 20.535 -14.693 318 HG LEU 44 HG LEU 44 -21.564 18.847 -17.194 319 HD11 LEU 44 1HD1 LEU 44 -19.919 20.131 -17.935 320 HD12 LEU 44 2HD1 LEU 44 -18.969 19.713 -16.510 321 HD13 LEU 44 3HD1 LEU 44 -20.014 21.133 -16.487 322 HD21 LEU 44 3HD2 LEU 44 -20.165 18.512 -14.548 323 HD22 LEU 44 1HD2 LEU 44 -19.723 17.629 -16.010 324 HD23 LEU 44 2HD2 LEU 44 -21.325 17.418 -15.304 325 H ARG 45 H ARG 45 -24.674 21.425 -14.404 326 HA ARG 45 HA ARG 45 -23.975 21.459 -11.596 327 HB2 ARG 45 1HB ARG 45 -24.108 23.591 -12.671 328 HB3 ARG 45 2HB ARG 45 -25.710 23.239 -13.306 329 HG2 ARG 45 1HG ARG 45 -26.670 23.356 -11.113 330 HG3 ARG 45 2HG ARG 45 -25.073 23.512 -10.378 331 HD2 ARG 45 1HD ARG 45 -24.885 25.699 -10.930 332 HD3 ARG 45 2HD ARG 45 -25.753 25.499 -12.451 333 HE ARG 45 HE ARG 45 -27.491 25.210 -10.221 334 HH11 ARG 45 1HH1 ARG 45 -25.817 27.576 -12.149 335 HH12 ARG 45 2HH1 ARG 45 -26.956 28.840 -11.822 336 HH21 ARG 45 1HH2 ARG 45 -28.997 26.866 -9.782 337 HH22 ARG 45 2HH2 ARG 45 -28.763 28.435 -10.474 338 H ALA 46 H ALA 46 -26.567 20.347 -13.592 339 HA ALA 46 HA ALA 46 -28.558 20.249 -11.536 340 HB1 ALA 46 1HB ALA 46 -28.343 19.270 -14.338 341 HB2 ALA 46 2HB ALA 46 -29.585 18.579 -13.292 342 HB3 ALA 46 3HB ALA 46 -29.554 20.316 -13.595 343 H GLU 47 H GLU 47 -26.284 17.936 -12.946 344 HA GLU 47 HA GLU 47 -27.245 15.676 -11.527 345 HB2 GLU 47 1HB GLU 47 -25.195 14.580 -12.241 346 HB3 GLU 47 2HB GLU 47 -25.885 15.497 -13.573 347 HG2 GLU 47 1HG GLU 47 -24.281 17.330 -13.047 348 HG3 GLU 47 2HG GLU 47 -23.527 16.257 -11.870 349 H MET 48 H MET 48 -24.785 18.105 -10.857 350 HA MET 48 HA MET 48 -23.740 16.808 -8.543 351 HB2 MET 48 1HB MET 48 -23.569 19.674 -9.482 352 HB3 MET 48 2HB MET 48 -22.697 19.041 -8.092 353 HG2 MET 48 1HG MET 48 -22.409 18.031 -10.912 354 HG3 MET 48 2HG MET 48 -21.322 19.175 -10.127 355 HE1 MET 48 3HE MET 48 -20.909 16.645 -11.632 356 HE2 MET 48 1HE MET 48 -19.573 15.862 -10.786 357 HE3 MET 48 2HE MET 48 -21.175 15.124 -10.777 358 H GLN 49 H GLN 49 -25.866 19.641 -8.959 359 HA GLN 49 HA GLN 49 -26.397 20.041 -6.238 360 HB2 GLN 49 1HB GLN 49 -28.098 21.526 -6.916 361 HB3 GLN 49 2HB GLN 49 -26.883 21.610 -8.184 362 HG2 GLN 49 1HG GLN 49 -28.211 20.130 -9.580 363 HG3 GLN 49 2HG GLN 49 -29.418 19.992 -8.303 364 HE21 GLN 49 2HE2 GLN 49 -27.647 22.808 -9.503 365 HE22 GLN 49 1HE2 GLN 49 -29.045 23.708 -9.971 366 H GLU 50 H GLU 50 -27.582 17.691 -8.456 367 HA GLU 50 HA GLU 50 -30.014 17.074 -7.105 368 HB2 GLU 50 1HB GLU 50 -29.723 16.479 -9.440 369 HB3 GLU 50 2HB GLU 50 -28.350 15.457 -9.041 370 HG2 GLU 50 1HG GLU 50 -29.759 13.914 -7.872 371 HG3 GLU 50 2HG GLU 50 -31.150 14.981 -8.051 372 H ARG 51 H ARG 51 -26.721 16.344 -6.526 373 HA ARG 51 HA ARG 51 -27.281 13.985 -4.930 374 HB2 ARG 51 1HB ARG 51 -24.697 15.487 -5.389 375 HB3 ARG 51 2HB ARG 51 -24.846 13.957 -4.533 376 HG2 ARG 51 1HG ARG 51 -25.417 12.794 -6.496 377 HG3 ARG 51 2HG ARG 51 -25.721 14.289 -7.384 378 HD2 ARG 51 1HD ARG 51 -23.512 14.675 -7.764 379 HD3 ARG 51 2HD ARG 51 -23.010 13.919 -6.252 380 HE ARG 51 HE ARG 51 -23.186 12.675 -8.806 381 HH11 ARG 51 1HH1 ARG 51 -23.567 12.099 -5.393 382 HH12 ARG 51 2HH1 ARG 51 -23.218 10.406 -5.507 383 HH21 ARG 51 1HH2 ARG 51 -22.725 10.447 -8.969 384 HH22 ARG 51 2HH2 ARG 51 -22.738 9.467 -7.541 385 H SER 52 H SER 52 -26.452 17.370 -4.478 386 HA SER 52 HA SER 52 -26.137 17.125 -1.628 387 HB2 SER 52 1HB SER 52 -25.281 19.213 -1.738 388 HB3 SER 52 2HB SER 52 -25.317 18.977 -3.486 389 HG SER 52 HG SER 52 -26.403 20.849 -3.114 390 H GLY 53 H GLY 53 -28.666 18.144 -3.856 391 HA2 GLY 53 1HA GLY 53 -30.968 18.047 -3.432 392 HA3 GLY 53 2HA GLY 53 -30.623 17.860 -1.719 393 H ARG 54 H ARG 54 -29.033 20.392 -3.446 394 HA ARG 54 HA ARG 54 -31.002 22.367 -2.558 395 HB2 ARG 54 1HB ARG 54 -28.054 22.551 -1.912 396 HB3 ARG 54 2HB ARG 54 -29.273 23.761 -1.536 397 HG2 ARG 54 1HG ARG 54 -29.359 20.953 -0.467 398 HG3 ARG 54 2HG ARG 54 -28.569 22.290 0.370 399 HD2 ARG 54 1HD ARG 54 -30.720 23.521 0.330 400 HD3 ARG 54 2HD ARG 54 -31.481 22.104 -0.392 401 HE ARG 54 HE ARG 54 -31.468 21.080 1.665 402 HH11 ARG 54 1HH1 ARG 54 -29.451 23.916 1.758 403 HH12 ARG 54 2HH1 ARG 54 -29.247 23.874 3.479 404 HH21 ARG 54 1HH2 ARG 54 -31.207 21.014 3.930 405 HH22 ARG 54 2HH2 ARG 54 -30.246 22.223 4.713 406 H ASN 55 H ASN 55 -30.142 24.654 -3.295 407 HA ASN 55 HA ASN 55 -30.296 24.861 -5.996 408 HB2 ASN 55 1HB ASN 55 -28.774 27.011 -5.578 409 HB3 ASN 55 2HB ASN 55 -30.441 26.927 -5.018 410 HD21 ASN 55 2HD2 ASN 55 -30.867 26.731 -2.842 411 HD22 ASN 55 1HD2 ASN 55 -29.657 26.963 -1.630 412 H THR 56 H THR 56 -27.162 25.508 -4.451 413 HA THR 56 HA THR 56 -25.767 23.613 -6.092 414 HB THR 56 HB THR 56 -25.012 26.475 -6.612 415 HG1 THR 56 HG1 THR 56 -26.214 25.868 -8.722 416 HG21 THR 56 3HG2 THR 56 -23.392 24.705 -7.146 417 HG22 THR 56 1HG2 THR 56 -23.969 25.517 -8.601 418 HG23 THR 56 2HG2 THR 56 -24.592 23.923 -8.174 419 H PHE 57 H PHE 57 -23.915 23.022 -5.128 420 HA PHE 57 HA PHE 57 -22.540 24.868 -3.342 421 HB2 PHE 57 1HB PHE 57 -22.864 23.732 -1.397 422 HB3 PHE 57 2HB PHE 57 -24.346 23.229 -2.202 423 HD1 PHE 57 HD2 PHE 57 -23.780 21.129 -3.914 424 HD2 PHE 57 HD1 PHE 57 -21.839 22.053 -0.240 425 HE1 PHE 57 HE2 PHE 57 -23.106 18.774 -3.681 426 HE2 PHE 57 HE1 PHE 57 -21.161 19.700 -0.002 427 HZ PHE 57 HZ PHE 57 -21.796 18.056 -1.723 428 HA PRO 58 HA PRO 58 -18.876 22.927 -4.771 429 HB2 PRO 58 1HB PRO 58 -17.315 22.853 -2.551 430 HB3 PRO 58 2HB PRO 58 -17.689 24.350 -3.413 431 HG2 PRO 58 1HG PRO 58 -18.934 23.232 -0.931 432 HG3 PRO 58 2HG PRO 58 -18.459 24.902 -1.289 433 HD2 PRO 58 1HD PRO 58 -21.022 24.048 -1.464 434 HD3 PRO 58 2HD PRO 58 -20.364 25.313 -2.521 435 H GLN 59 H GLN 59 -18.396 20.882 -5.260 436 HA GLN 59 HA GLN 59 -19.217 18.762 -3.417 437 HB2 GLN 59 1HB GLN 59 -18.183 18.174 -6.150 438 HB3 GLN 59 2HB GLN 59 -19.449 17.368 -5.234 439 HG2 GLN 59 1HG GLN 59 -19.860 20.154 -6.224 440 HG3 GLN 59 2HG GLN 59 -20.061 18.783 -7.313 441 HE21 GLN 59 2HE2 GLN 59 -22.011 20.722 -6.276 442 HE22 GLN 59 1HE2 GLN 59 -23.245 19.782 -5.517 443 H ILE 60 H ILE 60 -17.807 17.503 -2.369 444 HA ILE 60 HA ILE 60 -14.954 17.762 -3.069 445 HB ILE 60 HB ILE 60 -16.152 17.279 -0.338 446 HG12 ILE 60 1HG1 ILE 60 -16.398 19.602 -1.183 447 HG13 ILE 60 2HG1 ILE 60 -15.335 19.497 0.217 448 HG21 ILE 60 1HG2 ILE 60 -13.440 17.990 -0.159 449 HG22 ILE 60 2HG2 ILE 60 -14.178 16.436 0.226 450 HG23 ILE 60 3HG2 ILE 60 -13.546 16.735 -1.393 451 HD11 ILE 60 3HD1 ILE 60 -13.706 20.470 -0.910 452 HD12 ILE 60 1HD1 ILE 60 -13.788 19.237 -2.168 453 HD13 ILE 60 2HD1 ILE 60 -14.808 20.673 -2.271 454 H PHE 61 H PHE 61 -14.593 15.968 -4.267 455 HA PHE 61 HA PHE 61 -15.548 13.385 -3.268 456 HB2 PHE 61 1HB PHE 61 -14.194 13.973 -5.906 457 HB3 PHE 61 2HB PHE 61 -15.059 12.506 -5.458 458 HD1 PHE 61 HD2 PHE 61 -17.551 12.686 -5.000 459 HD2 PHE 61 HD1 PHE 61 -15.305 15.755 -6.912 460 HE1 PHE 61 HE2 PHE 61 -19.629 13.631 -5.918 461 HE2 PHE 61 HE1 PHE 61 -17.379 16.705 -7.832 462 HZ PHE 61 HZ PHE 61 -19.545 15.642 -7.337 463 H ILE 62 H ILE 62 -14.235 12.151 -2.115 464 HA ILE 62 HA ILE 62 -11.329 12.392 -2.549 465 HB ILE 62 HB ILE 62 -12.768 11.969 0.072 466 HG12 ILE 62 1HG1 ILE 62 -10.978 14.202 -0.911 467 HG13 ILE 62 2HG1 ILE 62 -12.722 14.300 -0.691 468 HG21 ILE 62 1HG2 ILE 62 -10.804 10.569 0.011 469 HG22 ILE 62 2HG2 ILE 62 -9.820 11.919 -0.551 470 HG23 ILE 62 3HG2 ILE 62 -10.508 11.946 1.072 471 HD11 ILE 62 3HD1 ILE 62 -10.552 14.247 1.342 472 HD12 ILE 62 1HD1 ILE 62 -11.964 15.297 1.222 473 HD13 ILE 62 2HD1 ILE 62 -12.148 13.628 1.765 474 H GLY 63 H GLY 63 -10.452 10.576 -3.275 475 HA2 GLY 63 1HA GLY 63 -10.041 8.344 -3.626 476 HA3 GLY 63 2HA GLY 63 -10.869 8.043 -2.106 477 H SER 64 H SER 64 -12.776 7.032 -2.162 478 HA SER 64 HA SER 64 -14.162 6.859 -4.758 479 HB2 SER 64 1HB SER 64 -13.548 4.714 -2.744 480 HB3 SER 64 2HB SER 64 -14.930 4.554 -3.828 481 HG SER 64 HG SER 64 -12.193 4.802 -4.516 482 H VAL 65 H VAL 65 -14.409 8.354 -1.995 483 HA VAL 65 HA VAL 65 -17.311 7.899 -1.741 484 HB VAL 65 HB VAL 65 -15.510 8.821 0.497 485 HG11 VAL 65 1HG1 VAL 65 -18.391 7.948 0.380 486 HG12 VAL 65 2HG1 VAL 65 -17.489 8.165 1.881 487 HG13 VAL 65 3HG1 VAL 65 -17.765 9.539 0.810 488 HG21 VAL 65 3HG2 VAL 65 -16.230 6.097 -0.426 489 HG22 VAL 65 1HG2 VAL 65 -14.771 6.674 0.379 490 HG23 VAL 65 2HG2 VAL 65 -16.240 6.393 1.313 491 H HIS 66 H HIS 66 -18.606 9.731 -1.298 492 HA HIS 66 HA HIS 66 -17.427 12.227 -2.274 493 HB2 HIS 66 1HB HIS 66 -19.410 11.477 -3.459 494 HB3 HIS 66 2HB HIS 66 -20.313 11.379 -1.950 495 HD1 HIS 66 HD1 HIS 66 -21.985 13.046 -3.235 496 HD2 HIS 66 HD2 HIS 66 -18.277 14.605 -2.193 497 HE1 HIS 66 HE1 HIS 66 -22.238 15.544 -3.389 498 H VAL 67 H VAL 67 -16.532 13.318 -0.618 499 HA VAL 67 HA VAL 67 -17.317 13.277 2.051 500 HB VAL 67 HB VAL 67 -15.932 15.503 0.549 501 HG11 VAL 67 1HG1 VAL 67 -16.368 15.026 3.482 502 HG12 VAL 67 2HG1 VAL 67 -15.038 16.018 2.881 503 HG13 VAL 67 3HG1 VAL 67 -16.706 16.477 2.540 504 HG21 VAL 67 3HG2 VAL 67 -15.054 12.920 1.656 505 HG22 VAL 67 1HG2 VAL 67 -14.366 13.894 0.357 506 HG23 VAL 67 2HG2 VAL 67 -14.024 14.300 2.039 507 H GLY 68 H GLY 68 -17.675 16.183 0.026 508 HA2 GLY 68 1HA GLY 68 -20.367 16.574 0.049 509 HA3 GLY 68 2HA GLY 68 -19.870 17.101 1.650 510 H GLY 69 H GLY 69 -19.071 19.110 1.900 511 HA2 GLY 69 1HA GLY 69 -17.954 20.543 -0.368 512 HA3 GLY 69 2HA GLY 69 -19.475 21.175 0.246 513 H CYS 70 H CYS 70 -18.663 23.114 0.974 514 HA CYS 70 HA CYS 70 -16.316 23.459 2.458 515 HB2 CYS 70 1HB CYS 70 -17.579 25.293 1.355 516 HB3 CYS 70 2HB CYS 70 -18.829 25.138 2.584 517 HG CYS 70 HG CYS 70 -17.672 27.229 3.657 518 H ASP 71 H ASP 71 -19.677 23.086 3.555 519 HA ASP 71 HA ASP 71 -19.233 23.312 6.292 520 HB2 ASP 71 1HB ASP 71 -21.479 23.319 5.429 521 HB3 ASP 71 2HB ASP 71 -21.286 21.694 4.776 522 H ASP 72 H ASP 72 -19.191 20.410 4.245 523 HA ASP 72 HA ASP 72 -18.617 18.589 6.327 524 HB2 ASP 72 1HB ASP 72 -18.025 18.368 3.367 525 HB3 ASP 72 2HB ASP 72 -17.987 17.035 4.518 526 H LEU 73 H LEU 73 -16.492 20.071 3.880 527 HA LEU 73 HA LEU 73 -14.088 18.978 4.735 528 HB2 LEU 73 1HB LEU 73 -14.824 20.665 2.758 529 HB3 LEU 73 2HB LEU 73 -13.987 21.782 3.834 530 HG LEU 73 HG LEU 73 -12.810 19.288 2.608 531 HD11 LEU 73 1HD1 LEU 73 -13.242 21.773 1.455 532 HD12 LEU 73 2HD1 LEU 73 -12.124 20.529 0.898 533 HD13 LEU 73 3HD1 LEU 73 -11.554 21.812 1.966 534 HD21 LEU 73 3HD2 LEU 73 -10.780 20.912 3.566 535 HD22 LEU 73 1HD2 LEU 73 -11.347 19.403 4.282 536 HD23 LEU 73 2HD2 LEU 73 -11.997 20.943 4.843 537 H TYR 74 H TYR 74 -15.729 21.923 5.815 538 HA TYR 74 HA TYR 74 -13.665 22.720 7.607 539 HB2 TYR 74 1HB TYR 74 -16.464 23.569 7.050 540 HB3 TYR 74 2HB TYR 74 -15.766 24.031 8.599 541 HD1 TYR 74 HD1 TYR 74 -14.079 23.755 5.294 542 HD2 TYR 74 HD2 TYR 74 -15.442 26.337 8.389 543 HE1 TYR 74 HE1 TYR 74 -12.939 25.645 4.210 544 HE2 TYR 74 HE2 TYR 74 -14.306 28.235 7.313 545 HH TYR 74 HH TYR 74 -12.083 28.281 5.538 546 H ALA 75 H ALA 75 -16.494 20.682 7.863 547 HA ALA 75 HA ALA 75 -16.492 20.539 10.721 548 HB1 ALA 75 1HB ALA 75 -17.957 18.460 10.194 549 HB2 ALA 75 2HB ALA 75 -18.569 20.072 9.826 550 HB3 ALA 75 3HB ALA 75 -17.905 19.066 8.539 551 H LEU 76 H LEU 76 -14.970 18.752 8.133 552 HA LEU 76 HA LEU 76 -14.158 16.554 9.800 553 HB2 LEU 76 1HB LEU 76 -13.656 17.401 6.986 554 HB3 LEU 76 2HB LEU 76 -12.591 16.205 7.722 555 HG LEU 76 HG LEU 76 -14.753 15.547 6.308 556 HD11 LEU 76 1HD1 LEU 76 -13.079 14.286 8.264 557 HD12 LEU 76 2HD1 LEU 76 -13.828 13.600 6.823 558 HD13 LEU 76 3HD1 LEU 76 -14.713 13.627 8.348 559 HD21 LEU 76 3HD2 LEU 76 -15.781 15.607 9.141 560 HD22 LEU 76 1HD2 LEU 76 -16.635 15.047 7.703 561 HD23 LEU 76 2HD2 LEU 76 -16.249 16.758 7.889 562 H GLU 77 H GLU 77 -12.497 19.310 8.278 563 HA GLU 77 HA GLU 77 -9.935 18.816 9.231 564 HB2 GLU 77 1HB GLU 77 -9.406 21.020 8.637 565 HB3 GLU 77 2HB GLU 77 -10.731 20.595 7.563 566 HG2 GLU 77 1HG GLU 77 -11.483 22.616 8.213 567 HG3 GLU 77 2HG GLU 77 -12.148 21.669 9.542 568 H ASP 78 H ASP 78 -12.724 20.094 10.863 569 HA ASP 78 HA ASP 78 -11.374 21.264 13.069 570 HB2 ASP 78 1HB ASP 78 -13.885 21.447 12.223 571 HB3 ASP 78 2HB ASP 78 -14.123 20.146 13.387 572 H GLU 79 H GLU 79 -12.260 18.020 12.251 573 HA GLU 79 HA GLU 79 -11.783 17.075 14.974 574 HB2 GLU 79 1HB GLU 79 -12.497 15.403 12.567 575 HB3 GLU 79 2HB GLU 79 -12.654 14.971 14.264 576 HG2 GLU 79 1HG GLU 79 -14.176 17.272 14.000 577 HG3 GLU 79 2HG GLU 79 -14.501 16.355 12.530 578 H GLY 80 H GLY 80 -10.195 17.385 11.947 579 HA2 GLY 80 1HA GLY 80 -7.918 17.087 11.542 580 HA3 GLY 80 2HA GLY 80 -7.783 16.234 13.072 581 H LYS 81 H LYS 81 -10.199 15.362 10.720 582 HA LYS 81 HA LYS 81 -8.837 12.790 10.358 583 HB2 LYS 81 1HB LYS 81 -11.692 13.493 9.667 584 HB3 LYS 81 2HB LYS 81 -10.982 11.885 9.737 585 HG2 LYS 81 1HG LYS 81 -11.298 13.723 12.101 586 HG3 LYS 81 2HG LYS 81 -12.407 12.416 11.680 587 HD2 LYS 81 1HD LYS 81 -10.995 10.808 12.410 588 HD3 LYS 81 2HD LYS 81 -9.557 11.675 11.865 589 HE2 LYS 81 1HE LYS 81 -9.706 13.164 13.780 590 HE3 LYS 81 2HE LYS 81 -11.189 12.370 14.306 591 HZ1 LYS 81 3HZ LYS 81 -9.921 10.989 15.460 592 HZ2 LYS 81 1HZ LYS 81 -8.502 11.629 14.798 593 HZ3 LYS 81 2HZ LYS 81 -9.309 10.369 14.010 594 H LEU 82 H LEU 82 -9.665 15.671 8.712 595 HA LEU 82 HA LEU 82 -9.996 14.889 6.090 596 HB2 LEU 82 1HB LEU 82 -9.710 17.266 7.382 597 HB3 LEU 82 2HB LEU 82 -8.216 17.196 6.449 598 HG LEU 82 HG LEU 82 -9.868 18.442 5.224 599 HD11 LEU 82 1HD1 LEU 82 -9.869 15.819 3.809 600 HD12 LEU 82 2HD1 LEU 82 -8.336 16.629 4.131 601 HD13 LEU 82 3HD1 LEU 82 -9.579 17.441 3.179 602 HD21 LEU 82 3HD2 LEU 82 -11.874 16.898 4.395 603 HD22 LEU 82 1HD2 LEU 82 -11.977 17.886 5.852 604 HD23 LEU 82 2HD2 LEU 82 -11.608 16.166 5.979 605 H ASP 83 H ASP 83 -6.978 15.327 7.887 606 HA ASP 83 HA ASP 83 -5.167 14.977 5.807 607 HB2 ASP 83 1HB ASP 83 -4.386 15.704 7.957 608 HB3 ASP 83 2HB ASP 83 -4.963 14.229 8.727 609 H SER 84 H SER 84 -6.795 12.565 7.818 610 HA SER 84 HA SER 84 -5.452 10.356 6.557 611 HB2 SER 84 1HB SER 84 -6.454 10.494 8.962 612 HB3 SER 84 2HB SER 84 -7.972 10.076 8.168 613 HG SER 84 HG SER 84 -5.567 8.585 7.938 614 H LEU 85 H LEU 85 -8.378 12.150 6.065 615 HA LEU 85 HA LEU 85 -9.787 10.235 4.530 616 HB2 LEU 85 1HB LEU 85 -10.056 13.040 5.239 617 HB3 LEU 85 2HB LEU 85 -10.595 12.708 3.594 618 HG LEU 85 HG LEU 85 -12.419 12.648 5.263 619 HD11 LEU 85 1HD1 LEU 85 -13.084 10.173 4.639 620 HD12 LEU 85 2HD1 LEU 85 -11.694 10.319 3.564 621 HD13 LEU 85 3HD1 LEU 85 -13.040 11.450 3.423 622 HD21 LEU 85 3HD2 LEU 85 -12.403 11.363 7.109 623 HD22 LEU 85 1HD2 LEU 85 -10.653 11.404 6.892 624 HD23 LEU 85 2HD2 LEU 85 -11.583 10.026 6.301 625 H LEU 86 H LEU 86 -7.556 12.843 3.669 626 HA LEU 86 HA LEU 86 -7.770 12.280 0.845 627 HB2 LEU 86 1HB LEU 86 -6.065 14.013 0.592 628 HB3 LEU 86 2HB LEU 86 -7.422 14.559 1.574 629 HG LEU 86 HG LEU 86 -5.780 13.782 3.533 630 HD11 LEU 86 1HD1 LEU 86 -3.481 14.466 2.967 631 HD12 LEU 86 2HD1 LEU 86 -3.958 14.598 1.275 632 HD13 LEU 86 3HD1 LEU 86 -4.002 13.031 2.082 633 HD21 LEU 86 3HD2 LEU 86 -6.524 16.245 2.281 634 HD22 LEU 86 1HD2 LEU 86 -4.858 16.351 2.850 635 HD23 LEU 86 2HD2 LEU 86 -6.148 15.925 3.975 636 H LYS 87 H LYS 87 -5.788 11.303 3.495 637 HA LYS 87 HA LYS 87 -3.578 10.392 1.898 638 HB2 LYS 87 1HB LYS 87 -4.319 10.350 4.771 639 HB3 LYS 87 2HB LYS 87 -3.223 9.089 4.223 640 HG2 LYS 87 1HG LYS 87 -1.554 10.593 3.678 641 HG3 LYS 87 2HG LYS 87 -2.677 11.948 3.548 642 HD2 LYS 87 1HD LYS 87 -1.813 12.469 5.576 643 HD3 LYS 87 2HD LYS 87 -3.033 11.321 6.133 644 HE2 LYS 87 1HE LYS 87 -1.424 9.566 6.270 645 HE3 LYS 87 2HE LYS 87 -0.204 10.542 5.454 646 HZ1 LYS 87 3HZ LYS 87 -1.384 11.350 8.044 647 HZ2 LYS 87 1HZ LYS 87 0.035 11.916 7.317 648 HZ3 LYS 87 2HZ LYS 87 -0.023 10.349 7.952 649 H THR 88 H THR 88 -6.284 8.843 3.597 650 HA THR 88 HA THR 88 -5.590 6.255 2.466 651 HB THR 88 HB THR 88 -7.290 5.317 3.846 652 HG1 THR 88 HG1 THR 88 -8.800 6.630 4.935 653 HG21 THR 88 3HG2 THR 88 -5.277 5.963 5.055 654 HG22 THR 88 1HG2 THR 88 -6.695 6.157 6.084 655 HG23 THR 88 2HG2 THR 88 -5.944 7.570 5.342 656 H GLY 89 H GLY 89 -8.117 8.708 2.186 657 HA2 GLY 89 1HA GLY 89 -9.393 9.163 0.283 658 HA3 GLY 89 2HA GLY 89 -8.814 7.666 -0.434 659 H LYS 90 H LYS 90 -10.006 7.421 2.764 660 HA LYS 90 HA LYS 90 -12.710 6.758 1.905 661 HB2 LYS 90 1HB LYS 90 -10.887 4.770 3.271 662 HB3 LYS 90 2HB LYS 90 -12.615 4.548 3.035 663 HG2 LYS 90 1HG LYS 90 -11.865 3.391 1.240 664 HG3 LYS 90 2HG LYS 90 -11.943 4.995 0.508 665 HD2 LYS 90 1HD LYS 90 -9.469 5.122 1.487 666 HD3 LYS 90 2HD LYS 90 -9.587 3.371 1.296 667 HE2 LYS 90 1HE LYS 90 -10.000 5.458 -0.842 668 HE3 LYS 90 2HE LYS 90 -8.638 4.348 -0.700 669 HZ1 LYS 90 3HZ LYS 90 -11.456 3.672 -1.324 670 HZ2 LYS 90 1HZ LYS 90 -10.291 2.509 -0.932 671 HZ3 LYS 90 2HZ LYS 90 -10.100 3.465 -2.315 672 H LEU 91 H LEU 91 -14.073 6.120 3.858 673 HA LEU 91 HA LEU 91 -13.528 8.044 5.968 674 HB2 LEU 91 1HB LEU 91 -15.904 6.507 5.048 675 HB3 LEU 91 2HB LEU 91 -15.868 7.082 6.713 676 HG LEU 91 HG LEU 91 -15.478 8.925 4.369 677 HD11 LEU 91 1HD1 LEU 91 -17.604 7.996 3.954 678 HD12 LEU 91 2HD1 LEU 91 -17.900 9.526 4.779 679 HD13 LEU 91 3HD1 LEU 91 -18.029 8.008 5.666 680 HD21 LEU 91 3HD2 LEU 91 -16.754 10.033 6.679 681 HD22 LEU 91 1HD2 LEU 91 -15.226 10.486 5.924 682 HD23 LEU 91 2HD2 LEU 91 -15.260 9.225 7.157 683 H ILE 92 H ILE 92 -12.614 7.504 7.828 684 HA ILE 92 HA ILE 92 -12.409 4.677 8.548 685 HB ILE 92 HB ILE 92 -10.760 5.462 10.241 686 HG12 ILE 92 1HG1 ILE 92 -10.911 8.131 8.842 687 HG13 ILE 92 2HG1 ILE 92 -11.784 7.800 10.334 688 HG21 ILE 92 1HG2 ILE 92 -9.005 6.070 8.585 689 HG22 ILE 92 2HG2 ILE 92 -9.956 4.657 8.132 690 HG23 ILE 92 3HG2 ILE 92 -10.270 6.214 7.365 691 HD11 ILE 92 3HD1 ILE 92 -9.804 7.558 11.562 692 HD12 ILE 92 1HD1 ILE 92 -8.819 7.422 10.105 693 HD13 ILE 92 2HD1 ILE 92 -9.549 8.969 10.536 Start of MODEL 8 1 H1 GLY 1 H GLY 1 4.259 1.155 -2.730 2 HA2 GLY 1 1HA GLY 1 6.312 1.467 -0.751 3 HA3 GLY 1 2HA GLY 1 6.101 2.443 -2.197 4 HA PRO 2 HA PRO 2 4.792 4.704 1.778 5 HB2 PRO 2 1HB PRO 2 6.914 6.385 1.980 6 HB3 PRO 2 2HB PRO 2 6.864 4.803 2.766 7 HG2 PRO 2 1HG PRO 2 8.192 5.605 0.206 8 HG3 PRO 2 2HG PRO 2 8.806 4.569 1.508 9 HD2 PRO 2 1HD PRO 2 7.779 3.568 -0.788 10 HD3 PRO 2 2HD PRO 2 7.631 2.729 0.769 11 H GLY 3 H GLY 3 3.169 5.728 0.634 12 HA2 GLY 3 1HA GLY 3 3.100 8.326 0.121 13 HA3 GLY 3 2HA GLY 3 3.885 7.754 -1.343 14 H SER 4 H SER 4 1.168 6.550 0.626 15 HA SER 4 HA SER 4 -0.311 5.887 -1.760 16 HB2 SER 4 1HB SER 4 -0.655 4.312 -0.073 17 HB3 SER 4 2HB SER 4 -0.772 5.541 1.187 18 HG SER 4 HG SER 4 -2.694 4.778 -0.731 19 H MET 5 H MET 5 -1.695 7.166 -2.784 20 HA MET 5 HA MET 5 -3.094 9.263 -1.298 21 HB2 MET 5 1HB MET 5 -1.162 9.654 -3.516 22 HB3 MET 5 2HB MET 5 -2.628 10.623 -3.567 23 HG2 MET 5 1HG MET 5 -1.217 12.004 -2.414 24 HG3 MET 5 2HG MET 5 -2.029 11.164 -1.095 25 HE1 MET 5 3HE MET 5 0.952 12.230 -2.768 26 HE2 MET 5 1HE MET 5 2.322 11.424 -2.003 27 HE3 MET 5 2HE MET 5 1.471 10.642 -3.335 28 H VAL 6 H VAL 6 -4.776 10.333 -2.804 29 HA VAL 6 HA VAL 6 -5.871 8.402 -4.722 30 HB VAL 6 HB VAL 6 -8.162 8.822 -3.791 31 HG11 VAL 6 1HG1 VAL 6 -6.461 6.872 -3.224 32 HG12 VAL 6 2HG1 VAL 6 -6.600 7.559 -1.604 33 HG13 VAL 6 3HG1 VAL 6 -8.040 6.985 -2.446 34 HG21 VAL 6 3HG2 VAL 6 -6.972 9.582 -1.185 35 HG22 VAL 6 1HG2 VAL 6 -7.098 10.840 -2.415 36 HG23 VAL 6 2HG2 VAL 6 -8.544 9.986 -1.875 37 H ASP 7 H ASP 7 -7.284 9.296 -6.280 38 HA ASP 7 HA ASP 7 -6.627 11.945 -7.069 39 HB2 ASP 7 1HB ASP 7 -8.476 9.826 -8.100 40 HB3 ASP 7 2HB ASP 7 -8.598 11.465 -8.735 41 H VAL 8 H VAL 8 -7.392 13.718 -6.141 42 HA VAL 8 HA VAL 8 -10.084 13.676 -4.970 43 HB VAL 8 HB VAL 8 -7.858 15.681 -4.574 44 HG11 VAL 8 1HG1 VAL 8 -10.067 16.680 -4.314 45 HG12 VAL 8 2HG1 VAL 8 -10.520 15.406 -3.179 46 HG13 VAL 8 3HG1 VAL 8 -9.247 16.553 -2.758 47 HG21 VAL 8 3HG2 VAL 8 -7.280 13.556 -3.584 48 HG22 VAL 8 1HG2 VAL 8 -7.711 14.696 -2.309 49 HG23 VAL 8 2HG2 VAL 8 -8.858 13.451 -2.805 50 H ILE 9 H ILE 9 -11.689 14.582 -6.059 51 HA ILE 9 HA ILE 9 -11.051 16.705 -8.002 52 HB ILE 9 HB ILE 9 -13.434 14.866 -8.159 53 HG12 ILE 9 1HG1 ILE 9 -10.771 14.639 -9.580 54 HG13 ILE 9 2HG1 ILE 9 -11.389 13.532 -8.359 55 HG21 ILE 9 1HG2 ILE 9 -12.739 17.252 -9.484 56 HG22 ILE 9 2HG2 ILE 9 -12.544 15.945 -10.650 57 HG23 ILE 9 3HG2 ILE 9 -14.088 16.171 -9.830 58 HD11 ILE 9 3HD1 ILE 9 -11.846 12.409 -10.306 59 HD12 ILE 9 1HD1 ILE 9 -13.370 13.245 -10.013 60 HD13 ILE 9 2HD1 ILE 9 -12.227 13.883 -11.195 61 H ILE 10 H ILE 10 -11.960 18.629 -7.682 62 HA ILE 10 HA ILE 10 -14.203 18.804 -5.777 63 HB ILE 10 HB ILE 10 -12.175 19.865 -4.917 64 HG12 ILE 10 1HG1 ILE 10 -13.804 22.238 -5.625 65 HG13 ILE 10 2HG1 ILE 10 -14.668 20.898 -4.879 66 HG21 ILE 10 1HG2 ILE 10 -11.096 20.393 -7.032 67 HG22 ILE 10 2HG2 ILE 10 -12.334 21.599 -7.378 68 HG23 ILE 10 3HG2 ILE 10 -11.227 21.835 -6.026 69 HD11 ILE 10 3HD1 ILE 10 -13.956 21.532 -2.890 70 HD12 ILE 10 1HD1 ILE 10 -12.280 21.363 -3.412 71 HD13 ILE 10 2HD1 ILE 10 -13.123 22.896 -3.635 72 H TYR 11 H TYR 11 -16.029 19.816 -6.389 73 HA TYR 11 HA TYR 11 -16.080 20.966 -9.098 74 HB2 TYR 11 1HB TYR 11 -17.888 19.189 -7.634 75 HB3 TYR 11 2HB TYR 11 -18.713 20.544 -8.395 76 HD1 TYR 11 HD2 TYR 11 -15.708 18.735 -9.622 77 HD2 TYR 11 HD1 TYR 11 -19.855 19.514 -10.165 78 HE1 TYR 11 HE2 TYR 11 -15.641 17.558 -11.780 79 HE2 TYR 11 HE1 TYR 11 -19.800 18.338 -12.325 80 HH TYR 11 HH TYR 11 -16.822 16.807 -13.506 81 H THR 12 H THR 12 -16.311 23.087 -9.243 82 HA THR 12 HA THR 12 -17.979 24.508 -7.313 83 HB THR 12 HB THR 12 -16.375 26.154 -6.753 84 HG1 THR 12 HG1 THR 12 -14.970 26.653 -8.248 85 HG21 THR 12 3HG2 THR 12 -14.565 24.881 -5.708 86 HG22 THR 12 1HG2 THR 12 -14.959 23.485 -6.710 87 HG23 THR 12 2HG2 THR 12 -16.112 24.060 -5.505 88 H ARG 13 H ARG 13 -18.643 26.616 -8.033 89 HA ARG 13 HA ARG 13 -18.627 26.828 -10.962 90 HB2 ARG 13 1HB ARG 13 -20.633 28.225 -10.691 91 HB3 ARG 13 2HB ARG 13 -20.839 26.640 -9.957 92 HG2 ARG 13 1HG ARG 13 -20.664 27.502 -7.782 93 HG3 ARG 13 2HG ARG 13 -20.002 29.034 -8.356 94 HD2 ARG 13 1HD ARG 13 -22.810 28.014 -8.766 95 HD3 ARG 13 2HD ARG 13 -22.313 29.326 -7.698 96 HE ARG 13 HE ARG 13 -21.477 29.939 -10.295 97 HH11 ARG 13 1HH1 ARG 13 -24.422 29.569 -8.476 98 HH12 ARG 13 2HH1 ARG 13 -25.315 30.694 -9.444 99 HH21 ARG 13 1HH2 ARG 13 -22.643 31.422 -11.578 100 HH22 ARG 13 2HH2 ARG 13 -24.303 31.747 -11.209 101 HA PRO 14 HA PRO 14 -16.264 30.527 -10.942 102 HB2 PRO 14 1HB PRO 14 -17.352 31.857 -13.043 103 HB3 PRO 14 2HB PRO 14 -16.322 30.434 -13.237 104 HG2 PRO 14 1HG PRO 14 -19.308 30.634 -13.300 105 HG3 PRO 14 2HG PRO 14 -18.226 29.712 -14.360 106 HD2 PRO 14 1HD PRO 14 -19.589 28.567 -12.320 107 HD3 PRO 14 2HD PRO 14 -17.989 27.998 -12.838 108 H GLY 15 H GLY 15 -17.535 30.981 -8.824 109 HA2 GLY 15 1HA GLY 15 -17.938 33.457 -8.192 110 HA3 GLY 15 2HA GLY 15 -19.378 33.246 -9.177 111 H CYS 16 H CYS 16 -17.696 31.616 -6.487 112 HA CYS 16 HA CYS 16 -20.154 31.645 -4.942 113 HB2 CYS 16 1HB CYS 16 -19.921 29.165 -4.463 114 HB3 CYS 16 2HB CYS 16 -20.508 29.581 -6.070 115 HA PRO 17 HA PRO 17 -17.041 32.421 -1.876 116 HB2 PRO 17 1HB PRO 17 -18.726 32.541 0.249 117 HB3 PRO 17 2HB PRO 17 -18.567 33.852 -0.925 118 HG2 PRO 17 1HG PRO 17 -20.655 31.715 -0.744 119 HG3 PRO 17 2HG PRO 17 -20.851 33.446 -1.079 120 HD2 PRO 17 1HD PRO 17 -20.880 31.571 -3.033 121 HD3 PRO 17 2HD PRO 17 -20.256 33.212 -3.294 122 H TYR 18 H TYR 18 -19.625 30.077 -1.128 123 HA TYR 18 HA TYR 18 -18.399 28.672 0.895 124 HB2 TYR 18 1HB TYR 18 -20.240 27.696 -1.291 125 HB3 TYR 18 2HB TYR 18 -19.757 26.698 0.076 126 HD1 TYR 18 HD2 TYR 18 -20.389 27.430 2.400 127 HD2 TYR 18 HD1 TYR 18 -21.970 29.293 -1.084 128 HE1 TYR 18 HE2 TYR 18 -22.220 28.374 3.743 129 HE2 TYR 18 HE1 TYR 18 -23.805 30.243 0.250 130 HH TYR 18 HH TYR 18 -24.005 29.693 3.753 131 H CYS 19 H CYS 19 -17.881 28.430 -2.571 132 HA CYS 19 HA CYS 19 -16.271 26.082 -2.471 133 HB2 CYS 19 1HB CYS 19 -16.138 28.174 -4.634 134 HB3 CYS 19 2HB CYS 19 -15.862 26.440 -4.772 135 H ALA 20 H ALA 20 -15.492 29.538 -2.813 136 HA ALA 20 HA ALA 20 -12.752 29.405 -2.972 137 HB1 ALA 20 1HB ALA 20 -13.515 31.542 -3.235 138 HB2 ALA 20 2HB ALA 20 -14.646 31.424 -1.887 139 HB3 ALA 20 3HB ALA 20 -12.923 31.637 -1.577 140 H ARG 21 H ARG 21 -14.732 29.469 -0.019 141 HA ARG 21 HA ARG 21 -12.618 29.437 1.820 142 HB2 ARG 21 1HB ARG 21 -15.487 28.546 1.978 143 HB3 ARG 21 2HB ARG 21 -14.396 28.360 3.345 144 HG2 ARG 21 1HG ARG 21 -15.075 30.960 1.985 145 HG3 ARG 21 2HG ARG 21 -15.735 30.391 3.520 146 HD2 ARG 21 1HD ARG 21 -13.155 30.188 4.112 147 HD3 ARG 21 2HD ARG 21 -13.033 31.442 2.878 148 HE ARG 21 HE ARG 21 -15.052 32.029 4.804 149 HH11 ARG 21 1HH1 ARG 21 -11.620 32.111 4.226 150 HH12 ARG 21 2HH1 ARG 21 -11.332 33.408 5.337 151 HH21 ARG 21 1HH2 ARG 21 -14.686 33.738 6.270 152 HH22 ARG 21 2HH2 ARG 21 -13.076 34.333 6.500 153 H ALA 22 H ALA 22 -14.560 26.743 0.533 154 HA ALA 22 HA ALA 22 -13.327 24.656 1.875 155 HB1 ALA 22 1HB ALA 22 -14.009 23.280 -0.157 156 HB2 ALA 22 2HB ALA 22 -15.288 24.154 0.687 157 HB3 ALA 22 3HB ALA 22 -14.637 24.787 -0.824 158 H LYS 23 H LYS 23 -12.574 25.785 -1.428 159 HA LYS 23 HA LYS 23 -10.377 24.181 -1.911 160 HB2 LYS 23 1HB LYS 23 -10.631 27.050 -2.819 161 HB3 LYS 23 2HB LYS 23 -9.737 25.759 -3.610 162 HG2 LYS 23 1HG LYS 23 -12.326 24.786 -3.443 163 HG3 LYS 23 2HG LYS 23 -12.522 26.494 -3.843 164 HD2 LYS 23 1HD LYS 23 -10.718 24.582 -5.323 165 HD3 LYS 23 2HD LYS 23 -12.348 25.023 -5.836 166 HE2 LYS 23 1HE LYS 23 -11.067 27.449 -5.366 167 HE3 LYS 23 2HE LYS 23 -9.855 26.451 -6.167 168 HZ1 LYS 23 3HZ LYS 23 -12.346 26.149 -7.458 169 HZ2 LYS 23 1HZ LYS 23 -10.889 26.737 -8.087 170 HZ3 LYS 23 2HZ LYS 23 -11.975 27.795 -7.339 171 H ALA 24 H ALA 24 -10.451 27.396 -0.401 172 HA ALA 24 HA ALA 24 -7.694 27.696 -0.031 173 HB1 ALA 24 1HB ALA 24 -8.197 29.487 1.391 174 HB2 ALA 24 2HB ALA 24 -9.546 29.430 0.256 175 HB3 ALA 24 3HB ALA 24 -9.735 28.779 1.884 176 H LEU 25 H LEU 25 -10.121 26.031 1.888 177 HA LEU 25 HA LEU 25 -8.507 25.607 4.179 178 HB2 LEU 25 1HB LEU 25 -11.072 25.383 3.855 179 HB3 LEU 25 2HB LEU 25 -10.692 23.740 3.342 180 HG LEU 25 HG LEU 25 -11.390 23.867 5.698 181 HD11 LEU 25 1HD1 LEU 25 -8.557 23.151 5.983 182 HD12 LEU 25 2HD1 LEU 25 -9.392 22.385 4.632 183 HD13 LEU 25 3HD1 LEU 25 -10.009 22.193 6.273 184 HD21 LEU 25 3HD2 LEU 25 -10.058 24.956 7.353 185 HD22 LEU 25 1HD2 LEU 25 -10.433 26.140 6.101 186 HD23 LEU 25 2HD2 LEU 25 -8.835 25.397 6.160 187 H LEU 26 H LEU 26 -9.212 23.628 1.322 188 HA LEU 26 HA LEU 26 -7.685 21.388 2.148 189 HB2 LEU 26 1HB LEU 26 -8.992 22.300 -0.341 190 HB3 LEU 26 2HB LEU 26 -7.682 21.136 -0.525 191 HG LEU 26 HG LEU 26 -9.842 20.523 1.428 192 HD11 LEU 26 1HD1 LEU 26 -10.324 19.653 -1.348 193 HD12 LEU 26 2HD1 LEU 26 -10.659 21.347 -0.992 194 HD13 LEU 26 3HD1 LEU 26 -11.465 20.076 -0.072 195 HD21 LEU 26 3HD2 LEU 26 -7.656 19.187 0.746 196 HD22 LEU 26 1HD2 LEU 26 -8.714 18.609 -0.541 197 HD23 LEU 26 2HD2 LEU 26 -9.166 18.366 1.146 198 H ALA 27 H ALA 27 -6.921 24.332 0.416 199 HA ALA 27 HA ALA 27 -4.344 23.482 -0.484 200 HB1 ALA 27 1HB ALA 27 -5.501 25.231 -1.670 201 HB2 ALA 27 2HB ALA 27 -5.538 26.238 -0.221 202 HB3 ALA 27 3HB ALA 27 -4.000 25.876 -1.004 203 H ARG 28 H ARG 28 -5.598 24.851 2.443 204 HA ARG 28 HA ARG 28 -3.245 25.982 3.485 205 HB2 ARG 28 1HB ARG 28 -5.766 26.013 4.310 206 HB3 ARG 28 2HB ARG 28 -5.210 24.679 5.312 207 HG2 ARG 28 1HG ARG 28 -3.657 26.032 6.441 208 HG3 ARG 28 2HG ARG 28 -3.789 27.320 5.242 209 HD2 ARG 28 1HD ARG 28 -5.052 28.134 7.007 210 HD3 ARG 28 2HD ARG 28 -6.270 27.410 5.958 211 HE ARG 28 HE ARG 28 -5.336 25.551 7.895 212 HH11 ARG 28 1HH1 ARG 28 -7.423 28.305 7.470 213 HH12 ARG 28 2HH1 ARG 28 -8.479 27.871 8.774 214 HH21 ARG 28 1HH2 ARG 28 -6.718 24.969 9.613 215 HH22 ARG 28 2HH2 ARG 28 -8.076 25.973 9.992 216 H LYS 29 H LYS 29 -4.275 22.706 3.151 217 HA LYS 29 HA LYS 29 -2.133 21.778 4.934 218 HB2 LYS 29 1HB LYS 29 -3.278 19.517 4.569 219 HB3 LYS 29 2HB LYS 29 -4.138 20.710 5.534 220 HG2 LYS 29 1HG LYS 29 -5.520 21.288 3.616 221 HG3 LYS 29 2HG LYS 29 -4.641 20.123 2.623 222 HD2 LYS 29 1HD LYS 29 -6.670 19.081 3.314 223 HD3 LYS 29 2HD LYS 29 -5.360 18.344 4.240 224 HE2 LYS 29 1HE LYS 29 -6.086 20.423 5.850 225 HE3 LYS 29 2HE LYS 29 -7.633 19.965 5.138 226 HZ1 LYS 29 3HZ LYS 29 -7.495 18.624 6.993 227 HZ2 LYS 29 1HZ LYS 29 -5.831 18.364 6.832 228 HZ3 LYS 29 2HZ LYS 29 -6.912 17.595 5.783 229 H GLY 30 H GLY 30 -2.446 22.605 1.824 230 HA2 GLY 30 1HA GLY 30 -1.041 22.225 0.030 231 HA3 GLY 30 2HA GLY 30 -0.174 21.053 1.012 232 H ALA 31 H ALA 31 -3.498 20.464 0.957 233 HA ALA 31 HA ALA 31 -3.189 17.991 -0.392 234 HB1 ALA 31 1HB ALA 31 -5.588 17.750 -0.133 235 HB2 ALA 31 2HB ALA 31 -4.874 18.371 1.357 236 HB3 ALA 31 3HB ALA 31 -5.738 19.460 0.272 237 H GLU 32 H GLU 32 -2.929 17.739 -2.506 238 HA GLU 32 HA GLU 32 -3.697 19.787 -4.377 239 HB2 GLU 32 1HB GLU 32 -2.627 18.433 -6.046 240 HB3 GLU 32 2HB GLU 32 -1.616 18.426 -4.607 241 HG2 GLU 32 1HG GLU 32 -2.830 16.232 -4.030 242 HG3 GLU 32 2HG GLU 32 -3.313 16.233 -5.725 243 H PHE 33 H PHE 33 -5.441 19.848 -5.666 244 HA PHE 33 HA PHE 33 -7.056 17.461 -6.071 245 HB2 PHE 33 1HB PHE 33 -9.140 18.670 -5.407 246 HB3 PHE 33 2HB PHE 33 -8.052 18.344 -4.062 247 HD1 PHE 33 HD1 PHE 33 -9.200 20.972 -6.395 248 HD2 PHE 33 HD2 PHE 33 -7.189 20.088 -2.749 249 HE1 PHE 33 HE1 PHE 33 -9.219 23.361 -5.810 250 HE2 PHE 33 HE2 PHE 33 -7.206 22.476 -2.158 251 HZ PHE 33 HZ PHE 33 -8.223 24.116 -3.688 252 H ASN 34 H ASN 34 -8.396 17.557 -7.886 253 HA ASN 34 HA ASN 34 -7.582 19.517 -9.853 254 HB2 ASN 34 1HB ASN 34 -7.969 16.953 -10.190 255 HB3 ASN 34 2HB ASN 34 -9.661 17.413 -10.354 256 HD21 ASN 34 2HD2 ASN 34 -9.425 16.545 -12.512 257 HD22 ASN 34 1HD2 ASN 34 -8.775 17.547 -13.761 258 H GLU 35 H GLU 35 -8.622 21.359 -10.189 259 HA GLU 35 HA GLU 35 -11.251 21.782 -9.046 260 HB2 GLU 35 1HB GLU 35 -9.520 23.514 -8.831 261 HB3 GLU 35 2HB GLU 35 -9.452 23.665 -10.581 262 HG2 GLU 35 1HG GLU 35 -12.075 24.088 -10.182 263 HG3 GLU 35 2HG GLU 35 -11.426 24.704 -8.663 264 H ILE 36 H ILE 36 -13.049 21.357 -10.124 265 HA ILE 36 HA ILE 36 -13.073 21.746 -13.042 266 HB ILE 36 HB ILE 36 -14.471 19.506 -11.576 267 HG12 ILE 36 1HG1 ILE 36 -12.127 19.362 -13.482 268 HG13 ILE 36 2HG1 ILE 36 -11.987 19.256 -11.731 269 HG21 ILE 36 1HG2 ILE 36 -15.823 19.628 -13.361 270 HG22 ILE 36 2HG2 ILE 36 -14.685 20.612 -14.280 271 HG23 ILE 36 3HG2 ILE 36 -14.486 18.861 -14.218 272 HD11 ILE 36 3HD1 ILE 36 -13.108 17.292 -13.666 273 HD12 ILE 36 1HD1 ILE 36 -11.973 17.048 -12.339 274 HD13 ILE 36 2HD1 ILE 36 -13.685 17.302 -11.999 275 H ASP 37 H ASP 37 -14.989 22.506 -13.937 276 HA ASP 37 HA ASP 37 -16.897 23.610 -11.987 277 HB2 ASP 37 1HB ASP 37 -16.024 24.548 -14.714 278 HB3 ASP 37 2HB ASP 37 -17.496 25.150 -13.954 279 H ALA 38 H ALA 38 -19.080 23.310 -12.235 280 HA ALA 38 HA ALA 38 -19.885 21.389 -14.322 281 HB1 ALA 38 1HB ALA 38 -21.755 21.381 -12.187 282 HB2 ALA 38 2HB ALA 38 -20.688 20.082 -12.722 283 HB3 ALA 38 3HB ALA 38 -20.137 21.229 -11.502 284 H SER 39 H SER 39 -20.607 24.376 -12.685 285 HA SER 39 HA SER 39 -23.233 24.805 -13.511 286 HB2 SER 39 1HB SER 39 -20.968 26.569 -12.704 287 HB3 SER 39 2HB SER 39 -22.359 27.323 -13.483 288 HG SER 39 HG SER 39 -22.422 25.676 -11.170 289 H ALA 40 H ALA 40 -20.300 24.843 -15.311 290 HA ALA 40 HA ALA 40 -20.824 26.562 -17.401 291 HB1 ALA 40 1HB ALA 40 -18.722 25.678 -17.533 292 HB2 ALA 40 2HB ALA 40 -19.263 24.043 -17.150 293 HB3 ALA 40 3HB ALA 40 -19.535 24.708 -18.761 294 H THR 41 H THR 41 -22.045 23.301 -16.872 295 HA THR 41 HA THR 41 -23.875 23.696 -19.148 296 HB THR 41 HB THR 41 -23.833 21.035 -19.084 297 HG1 THR 41 HG1 THR 41 -21.377 20.655 -18.850 298 HG21 THR 41 3HG2 THR 41 -23.359 22.372 -21.056 299 HG22 THR 41 1HG2 THR 41 -22.153 21.097 -20.893 300 HG23 THR 41 2HG2 THR 41 -21.752 22.754 -20.440 301 HA PRO 42 HA PRO 42 -27.237 22.863 -16.452 302 HB2 PRO 42 1HB PRO 42 -28.915 21.450 -18.051 303 HB3 PRO 42 2HB PRO 42 -28.629 23.183 -18.251 304 HG2 PRO 42 1HG PRO 42 -27.438 20.880 -19.749 305 HG3 PRO 42 2HG PRO 42 -28.042 22.427 -20.371 306 HD2 PRO 42 1HD PRO 42 -25.406 21.936 -20.000 307 HD3 PRO 42 2HD PRO 42 -26.113 23.553 -19.803 308 H GLU 43 H GLU 43 -26.213 20.006 -18.315 309 HA GLU 43 HA GLU 43 -27.338 18.085 -16.592 310 HB2 GLU 43 1HB GLU 43 -26.525 17.700 -18.947 311 HB3 GLU 43 2HB GLU 43 -24.885 17.719 -18.313 312 HG2 GLU 43 1HG GLU 43 -25.312 15.778 -16.978 313 HG3 GLU 43 2HG GLU 43 -27.022 15.809 -17.403 314 H LEU 44 H LEU 44 -24.000 19.302 -16.832 315 HA LEU 44 HA LEU 44 -22.938 17.816 -14.714 316 HB2 LEU 44 1HB LEU 44 -22.175 20.376 -16.050 317 HB3 LEU 44 2HB LEU 44 -21.314 19.854 -14.604 318 HG LEU 44 HG LEU 44 -21.544 18.207 -17.119 319 HD11 LEU 44 1HD1 LEU 44 -18.914 19.225 -16.529 320 HD12 LEU 44 2HD1 LEU 44 -20.064 20.540 -16.766 321 HD13 LEU 44 3HD1 LEU 44 -19.850 19.320 -18.021 322 HD21 LEU 44 3HD2 LEU 44 -19.367 17.805 -15.179 323 HD22 LEU 44 1HD2 LEU 44 -20.314 16.627 -16.087 324 HD23 LEU 44 2HD2 LEU 44 -20.979 17.352 -14.623 325 H ARG 45 H ARG 45 -24.850 20.719 -14.746 326 HA ARG 45 HA ARG 45 -24.292 21.358 -11.978 327 HB2 ARG 45 1HB ARG 45 -24.729 23.121 -13.681 328 HB3 ARG 45 2HB ARG 45 -26.377 22.526 -13.828 329 HG2 ARG 45 1HG ARG 45 -26.626 22.983 -11.355 330 HG3 ARG 45 2HG ARG 45 -25.089 23.844 -11.458 331 HD2 ARG 45 1HD ARG 45 -27.189 24.531 -13.438 332 HD3 ARG 45 2HD ARG 45 -27.431 25.063 -11.775 333 HE ARG 45 HE ARG 45 -24.836 25.754 -12.529 334 HH11 ARG 45 1HH1 ARG 45 -28.120 26.562 -13.354 335 HH12 ARG 45 2HH1 ARG 45 -27.737 28.181 -13.838 336 HH21 ARG 45 1HH2 ARG 45 -24.319 27.883 -13.163 337 HH22 ARG 45 2HH2 ARG 45 -25.575 28.931 -13.730 338 H ALA 46 H ALA 46 -26.617 19.552 -13.793 339 HA ALA 46 HA ALA 46 -28.723 19.551 -11.894 340 HB1 ALA 46 1HB ALA 46 -29.806 18.428 -13.479 341 HB2 ALA 46 2HB ALA 46 -28.350 18.572 -14.465 342 HB3 ALA 46 3HB ALA 46 -28.607 17.134 -13.477 343 H GLU 47 H GLU 47 -26.252 17.090 -12.655 344 HA GLU 47 HA GLU 47 -26.922 15.307 -10.610 345 HB2 GLU 47 1HB GLU 47 -24.557 14.477 -10.883 346 HB3 GLU 47 2HB GLU 47 -25.507 14.541 -12.361 347 HG2 GLU 47 1HG GLU 47 -24.403 16.566 -13.042 348 HG3 GLU 47 2HG GLU 47 -23.535 16.648 -11.510 349 H MET 48 H MET 48 -24.937 18.190 -10.597 350 HA MET 48 HA MET 48 -23.630 17.782 -8.138 351 HB2 MET 48 1HB MET 48 -23.965 19.942 -10.043 352 HB3 MET 48 2HB MET 48 -23.996 20.539 -8.390 353 HG2 MET 48 1HG MET 48 -21.870 18.990 -8.169 354 HG3 MET 48 2HG MET 48 -21.794 19.262 -9.908 355 HE1 MET 48 3HE MET 48 -23.070 22.854 -9.251 356 HE2 MET 48 1HE MET 48 -21.670 22.972 -10.318 357 HE3 MET 48 2HE MET 48 -22.835 21.666 -10.533 358 H GLN 49 H GLN 49 -26.592 19.601 -8.913 359 HA GLN 49 HA GLN 49 -27.163 20.114 -6.145 360 HB2 GLN 49 1HB GLN 49 -28.830 21.484 -6.891 361 HB3 GLN 49 2HB GLN 49 -27.854 21.425 -8.352 362 HG2 GLN 49 1HG GLN 49 -29.364 19.413 -8.976 363 HG3 GLN 49 2HG GLN 49 -30.451 20.081 -7.759 364 HE21 GLN 49 2HE2 GLN 49 -30.051 22.777 -8.137 365 HE22 GLN 49 1HE2 GLN 49 -30.638 23.231 -9.697 366 H GLU 50 H GLU 50 -27.694 17.524 -8.278 367 HA GLU 50 HA GLU 50 -30.124 16.532 -7.165 368 HB2 GLU 50 1HB GLU 50 -29.375 15.905 -9.416 369 HB3 GLU 50 2HB GLU 50 -27.974 15.095 -8.730 370 HG2 GLU 50 1HG GLU 50 -29.419 13.496 -7.612 371 HG3 GLU 50 2HG GLU 50 -30.842 14.324 -8.243 372 H ARG 51 H ARG 51 -26.860 16.493 -6.155 373 HA ARG 51 HA ARG 51 -27.330 14.251 -4.322 374 HB2 ARG 51 1HB ARG 51 -24.747 15.711 -4.903 375 HB3 ARG 51 2HB ARG 51 -24.928 14.234 -3.965 376 HG2 ARG 51 1HG ARG 51 -25.428 12.955 -5.864 377 HG3 ARG 51 2HG ARG 51 -25.742 14.387 -6.846 378 HD2 ARG 51 1HD ARG 51 -23.577 14.651 -7.354 379 HD3 ARG 51 2HD ARG 51 -23.058 14.322 -5.701 380 HE ARG 51 HE ARG 51 -22.602 12.179 -6.331 381 HH11 ARG 51 1HH1 ARG 51 -24.805 13.572 -8.639 382 HH12 ARG 51 2HH1 ARG 51 -24.756 12.208 -9.706 383 HH21 ARG 51 1HH2 ARG 51 -22.529 10.377 -7.727 384 HH22 ARG 51 2HH2 ARG 51 -23.461 10.391 -9.186 385 H SER 52 H SER 52 -26.482 17.671 -4.401 386 HA SER 52 HA SER 52 -26.241 17.870 -1.539 387 HB2 SER 52 1HB SER 52 -25.171 19.343 -3.480 388 HB3 SER 52 2HB SER 52 -26.637 20.293 -3.234 389 HG SER 52 HG SER 52 -25.088 19.514 -1.023 390 H GLY 53 H GLY 53 -28.686 18.581 -3.972 391 HA2 GLY 53 1HA GLY 53 -30.995 18.640 -3.636 392 HA3 GLY 53 2HA GLY 53 -30.719 18.624 -1.900 393 H ARG 54 H ARG 54 -28.691 20.925 -2.848 394 HA ARG 54 HA ARG 54 -30.711 23.039 -2.513 395 HB2 ARG 54 1HB ARG 54 -27.762 23.029 -1.849 396 HB3 ARG 54 2HB ARG 54 -28.812 24.431 -1.694 397 HG2 ARG 54 1HG ARG 54 -30.180 23.204 -0.062 398 HG3 ARG 54 2HG ARG 54 -29.072 21.836 -0.190 399 HD2 ARG 54 1HD ARG 54 -27.331 22.993 0.834 400 HD3 ARG 54 2HD ARG 54 -28.058 24.566 0.509 401 HE ARG 54 HE ARG 54 -29.658 22.963 2.252 402 HH11 ARG 54 1HH1 ARG 54 -26.900 25.083 2.110 403 HH12 ARG 54 2HH1 ARG 54 -27.027 25.574 3.767 404 HH21 ARG 54 1HH2 ARG 54 -29.836 23.601 4.435 405 HH22 ARG 54 2HH2 ARG 54 -28.697 24.729 5.088 406 H ASN 55 H ASN 55 -29.782 25.233 -3.414 407 HA ASN 55 HA ASN 55 -29.943 25.234 -6.134 408 HB2 ASN 55 1HB ASN 55 -28.286 27.165 -4.495 409 HB3 ASN 55 2HB ASN 55 -28.941 27.463 -6.102 410 HD21 ASN 55 2HD2 ASN 55 -29.340 28.551 -3.241 411 HD22 ASN 55 1HD2 ASN 55 -31.058 28.672 -3.111 412 H THR 56 H THR 56 -26.821 25.936 -4.579 413 HA THR 56 HA THR 56 -25.433 23.945 -6.116 414 HB THR 56 HB THR 56 -23.923 26.062 -6.953 415 HG1 THR 56 HG1 THR 56 -25.458 27.615 -6.423 416 HG21 THR 56 3HG2 THR 56 -24.368 25.265 -9.034 417 HG22 THR 56 1HG2 THR 56 -26.112 25.254 -8.776 418 HG23 THR 56 2HG2 THR 56 -25.114 23.959 -8.114 419 H PHE 57 H PHE 57 -23.607 23.354 -5.102 420 HA PHE 57 HA PHE 57 -22.242 25.230 -3.338 421 HB2 PHE 57 1HB PHE 57 -22.588 24.124 -1.371 422 HB3 PHE 57 2HB PHE 57 -24.089 23.681 -2.176 423 HD1 PHE 57 HD2 PHE 57 -23.610 21.536 -3.863 424 HD2 PHE 57 HD1 PHE 57 -21.656 22.412 -0.184 425 HE1 PHE 57 HE2 PHE 57 -23.049 19.155 -3.598 426 HE2 PHE 57 HE1 PHE 57 -21.091 20.032 0.086 427 HZ PHE 57 HZ PHE 57 -21.789 18.400 -1.621 428 HA PRO 58 HA PRO 58 -18.583 23.212 -4.673 429 HB2 PRO 58 1HB PRO 58 -17.037 23.245 -2.442 430 HB3 PRO 58 2HB PRO 58 -17.400 24.698 -3.380 431 HG2 PRO 58 1HG PRO 58 -18.665 23.710 -0.853 432 HG3 PRO 58 2HG PRO 58 -18.180 25.359 -1.292 433 HD2 PRO 58 1HD PRO 58 -20.746 24.506 -1.440 434 HD3 PRO 58 2HD PRO 58 -20.076 25.714 -2.555 435 H GLN 59 H GLN 59 -18.406 21.117 -5.133 436 HA GLN 59 HA GLN 59 -19.000 19.134 -3.060 437 HB2 GLN 59 1HB GLN 59 -19.277 19.237 -5.976 438 HB3 GLN 59 2HB GLN 59 -18.605 17.723 -5.387 439 HG2 GLN 59 1HG GLN 59 -20.640 17.036 -4.886 440 HG3 GLN 59 2HG GLN 59 -20.780 18.347 -3.715 441 HE21 GLN 59 2HE2 GLN 59 -20.949 20.556 -5.198 442 HE22 GLN 59 1HE2 GLN 59 -22.337 20.515 -6.226 443 H ILE 60 H ILE 60 -17.474 17.879 -2.187 444 HA ILE 60 HA ILE 60 -14.770 17.997 -3.354 445 HB ILE 60 HB ILE 60 -15.660 17.827 -0.486 446 HG12 ILE 60 1HG1 ILE 60 -13.907 19.690 -0.341 447 HG13 ILE 60 2HG1 ILE 60 -13.931 19.696 -2.101 448 HG21 ILE 60 1HG2 ILE 60 -14.021 16.152 -0.550 449 HG22 ILE 60 2HG2 ILE 60 -13.016 17.058 -1.679 450 HG23 ILE 60 3HG2 ILE 60 -13.163 17.593 -0.005 451 HD11 ILE 60 3HD1 ILE 60 -16.139 20.449 -2.178 452 HD12 ILE 60 1HD1 ILE 60 -16.433 20.032 -0.490 453 HD13 ILE 60 2HD1 ILE 60 -15.386 21.393 -0.893 454 H PHE 61 H PHE 61 -14.617 16.177 -4.546 455 HA PHE 61 HA PHE 61 -15.574 13.647 -3.448 456 HB2 PHE 61 1HB PHE 61 -14.323 14.135 -6.154 457 HB3 PHE 61 2HB PHE 61 -15.266 12.736 -5.648 458 HD1 PHE 61 HD2 PHE 61 -17.603 13.819 -4.408 459 HD2 PHE 61 HD1 PHE 61 -15.465 15.256 -7.797 460 HE1 PHE 61 HE2 PHE 61 -19.651 14.900 -5.238 461 HE2 PHE 61 HE1 PHE 61 -17.510 16.340 -8.632 462 HZ PHE 61 HZ PHE 61 -19.607 16.162 -7.353 463 H ILE 62 H ILE 62 -14.232 12.550 -2.187 464 HA ILE 62 HA ILE 62 -11.350 12.620 -2.800 465 HB ILE 62 HB ILE 62 -12.721 12.177 -0.146 466 HG12 ILE 62 1HG1 ILE 62 -10.909 14.384 -1.148 467 HG13 ILE 62 2HG1 ILE 62 -12.637 14.521 -0.844 468 HG21 ILE 62 1HG2 ILE 62 -9.793 12.062 -0.856 469 HG22 ILE 62 2HG2 ILE 62 -10.436 12.068 0.786 470 HG23 ILE 62 3HG2 ILE 62 -10.799 10.725 -0.298 471 HD11 ILE 62 3HD1 ILE 62 -11.708 15.472 1.036 472 HD12 ILE 62 1HD1 ILE 62 -12.020 13.819 1.564 473 HD13 ILE 62 2HD1 ILE 62 -10.388 14.304 1.102 474 H GLY 63 H GLY 63 -10.661 10.815 -3.733 475 HA2 GLY 63 1HA GLY 63 -10.324 8.584 -4.161 476 HA3 GLY 63 2HA GLY 63 -10.994 8.263 -2.568 477 H SER 64 H SER 64 -12.918 7.292 -2.443 478 HA SER 64 HA SER 64 -14.548 7.165 -4.896 479 HB2 SER 64 1HB SER 64 -13.745 5.028 -2.963 480 HB3 SER 64 2HB SER 64 -15.312 4.904 -3.762 481 HG SER 64 HG SER 64 -13.971 3.918 -5.146 482 H VAL 65 H VAL 65 -14.512 8.733 -2.180 483 HA VAL 65 HA VAL 65 -17.387 8.359 -1.641 484 HB VAL 65 HB VAL 65 -15.363 9.309 0.385 485 HG11 VAL 65 1HG1 VAL 65 -17.485 10.105 0.989 486 HG12 VAL 65 2HG1 VAL 65 -18.282 8.610 0.494 487 HG13 VAL 65 3HG1 VAL 65 -17.271 8.636 1.940 488 HG21 VAL 65 3HG2 VAL 65 -16.435 6.553 -0.155 489 HG22 VAL 65 1HG2 VAL 65 -14.755 7.070 -0.009 490 HG23 VAL 65 2HG2 VAL 65 -15.790 7.021 1.418 491 H HIS 66 H HIS 66 -18.597 10.235 -1.151 492 HA HIS 66 HA HIS 66 -17.428 12.683 -2.266 493 HB2 HIS 66 1HB HIS 66 -19.447 11.987 -3.384 494 HB3 HIS 66 2HB HIS 66 -20.301 11.841 -1.851 495 HD1 HIS 66 HD1 HIS 66 -22.073 13.524 -2.840 496 HD2 HIS 66 HD2 HIS 66 -18.267 15.091 -2.275 497 HE1 HIS 66 HE1 HIS 66 -22.348 16.020 -2.973 498 H VAL 67 H VAL 67 -16.413 13.707 -0.617 499 HA VAL 67 HA VAL 67 -17.112 13.758 2.059 500 HB VAL 67 HB VAL 67 -15.741 15.909 0.442 501 HG11 VAL 67 1HG1 VAL 67 -16.207 15.623 3.387 502 HG12 VAL 67 2HG1 VAL 67 -14.790 16.476 2.773 503 HG13 VAL 67 3HG1 VAL 67 -16.409 17.041 2.360 504 HG21 VAL 67 3HG2 VAL 67 -14.868 13.397 1.736 505 HG22 VAL 67 1HG2 VAL 67 -14.240 14.217 0.306 506 HG23 VAL 67 2HG2 VAL 67 -13.803 14.791 1.915 507 H GLY 68 H GLY 68 -17.461 16.693 0.092 508 HA2 GLY 68 1HA GLY 68 -20.122 17.158 0.087 509 HA3 GLY 68 2HA GLY 68 -19.677 17.551 1.741 510 H GLY 69 H GLY 69 -19.302 19.631 2.085 511 HA2 GLY 69 1HA GLY 69 -17.968 21.186 -0.027 512 HA3 GLY 69 2HA GLY 69 -19.468 21.782 0.668 513 H CYS 70 H CYS 70 -18.316 23.677 1.319 514 HA CYS 70 HA CYS 70 -16.042 23.794 2.875 515 HB2 CYS 70 1HB CYS 70 -17.028 25.801 1.965 516 HB3 CYS 70 2HB CYS 70 -18.484 25.574 2.926 517 HG CYS 70 HG CYS 70 -17.390 26.229 5.330 518 H ASP 71 H ASP 71 -19.396 23.342 3.911 519 HA ASP 71 HA ASP 71 -18.990 23.468 6.672 520 HB2 ASP 71 1HB ASP 71 -21.211 23.445 5.512 521 HB3 ASP 71 2HB ASP 71 -20.999 21.718 5.243 522 H ASP 72 H ASP 72 -18.974 20.646 4.507 523 HA ASP 72 HA ASP 72 -18.397 18.738 6.497 524 HB2 ASP 72 1HB ASP 72 -17.874 18.705 3.520 525 HB3 ASP 72 2HB ASP 72 -17.661 17.309 4.573 526 H LEU 73 H LEU 73 -16.252 20.350 4.153 527 HA LEU 73 HA LEU 73 -13.856 19.209 4.999 528 HB2 LEU 73 1HB LEU 73 -14.474 20.809 2.997 529 HB3 LEU 73 2HB LEU 73 -13.902 22.050 4.110 530 HG LEU 73 HG LEU 73 -11.727 20.872 4.240 531 HD11 LEU 73 1HD1 LEU 73 -12.935 19.129 2.098 532 HD12 LEU 73 2HD1 LEU 73 -12.444 18.625 3.714 533 HD13 LEU 73 3HD1 LEU 73 -11.230 19.152 2.549 534 HD21 LEU 73 3HD2 LEU 73 -10.911 21.910 2.382 535 HD22 LEU 73 1HD2 LEU 73 -12.510 22.650 2.441 536 HD23 LEU 73 2HD2 LEU 73 -12.201 21.308 1.340 537 H TYR 74 H TYR 74 -15.586 22.039 6.196 538 HA TYR 74 HA TYR 74 -13.534 22.879 7.984 539 HB2 TYR 74 1HB TYR 74 -16.402 23.581 7.546 540 HB3 TYR 74 2HB TYR 74 -15.646 24.061 9.061 541 HD1 TYR 74 HD1 TYR 74 -13.973 23.895 5.762 542 HD2 TYR 74 HD2 TYR 74 -15.619 26.408 8.775 543 HE1 TYR 74 HE1 TYR 74 -12.998 25.859 4.647 544 HE2 TYR 74 HE2 TYR 74 -14.650 28.379 7.668 545 HH TYR 74 HH TYR 74 -12.432 28.615 5.943 546 H ALA 75 H ALA 75 -16.287 20.723 8.225 547 HA ALA 75 HA ALA 75 -16.180 20.452 11.071 548 HB1 ALA 75 1HB ALA 75 -17.584 18.930 8.896 549 HB2 ALA 75 2HB ALA 75 -17.650 18.425 10.585 550 HB3 ALA 75 3HB ALA 75 -18.272 20.006 10.113 551 H LEU 76 H LEU 76 -14.671 18.859 8.360 552 HA LEU 76 HA LEU 76 -13.759 16.592 9.875 553 HB2 LEU 76 1HB LEU 76 -13.343 17.621 7.109 554 HB3 LEU 76 2HB LEU 76 -12.222 16.422 7.751 555 HG LEU 76 HG LEU 76 -14.387 15.770 6.341 556 HD11 LEU 76 1HD1 LEU 76 -14.334 13.648 8.004 557 HD12 LEU 76 2HD1 LEU 76 -12.810 14.425 8.429 558 HD13 LEU 76 3HD1 LEU 76 -13.124 13.956 6.758 559 HD21 LEU 76 3HD2 LEU 76 -16.227 15.131 7.732 560 HD22 LEU 76 1HD2 LEU 76 -15.889 16.839 8.018 561 HD23 LEU 76 2HD2 LEU 76 -15.365 15.629 9.189 562 H GLU 77 H GLU 77 -12.213 19.485 8.494 563 HA GLU 77 HA GLU 77 -9.620 19.015 9.372 564 HB2 GLU 77 1HB GLU 77 -9.164 21.250 8.873 565 HB3 GLU 77 2HB GLU 77 -10.531 20.873 7.834 566 HG2 GLU 77 1HG GLU 77 -11.222 22.870 8.655 567 HG3 GLU 77 2HG GLU 77 -11.903 21.803 9.882 568 H ASP 78 H ASP 78 -12.409 20.163 11.114 569 HA ASP 78 HA ASP 78 -11.099 21.263 13.353 570 HB2 ASP 78 1HB ASP 78 -13.630 21.301 12.601 571 HB3 ASP 78 2HB ASP 78 -13.739 19.892 13.652 572 H GLU 79 H GLU 79 -11.794 17.992 12.416 573 HA GLU 79 HA GLU 79 -11.030 16.990 15.061 574 HB2 GLU 79 1HB GLU 79 -11.937 15.335 12.712 575 HB3 GLU 79 2HB GLU 79 -11.926 14.889 14.412 576 HG2 GLU 79 1HG GLU 79 -13.562 16.972 14.572 577 HG3 GLU 79 2HG GLU 79 -13.861 16.532 12.891 578 H GLY 80 H GLY 80 -9.808 17.439 11.886 579 HA2 GLY 80 1HA GLY 80 -7.635 17.175 11.129 580 HA3 GLY 80 2HA GLY 80 -7.220 16.461 12.680 581 H LYS 81 H LYS 81 -9.907 15.181 10.920 582 HA LYS 81 HA LYS 81 -8.447 12.683 10.554 583 HB2 LYS 81 1HB LYS 81 -11.382 13.261 10.113 584 HB3 LYS 81 2HB LYS 81 -10.623 11.675 10.159 585 HG2 LYS 81 1HG LYS 81 -10.525 13.538 12.507 586 HG3 LYS 81 2HG LYS 81 -11.886 12.447 12.232 587 HD2 LYS 81 1HD LYS 81 -10.615 11.073 13.521 588 HD3 LYS 81 2HD LYS 81 -9.890 10.695 11.956 589 HE2 LYS 81 1HE LYS 81 -8.357 12.761 12.587 590 HE3 LYS 81 2HE LYS 81 -8.815 12.292 14.223 591 HZ1 LYS 81 3HZ LYS 81 -6.823 11.182 12.687 592 HZ2 LYS 81 1HZ LYS 81 -8.059 10.027 12.684 593 HZ3 LYS 81 2HZ LYS 81 -7.425 10.584 14.150 594 H LEU 82 H LEU 82 -9.643 15.347 8.732 595 HA LEU 82 HA LEU 82 -10.097 14.278 6.231 596 HB2 LEU 82 1HB LEU 82 -10.388 16.660 6.928 597 HB3 LEU 82 2HB LEU 82 -8.645 16.862 6.771 598 HG LEU 82 HG LEU 82 -8.799 16.398 4.378 599 HD11 LEU 82 1HD1 LEU 82 -11.666 15.899 5.058 600 HD12 LEU 82 2HD1 LEU 82 -10.569 14.950 4.055 601 HD13 LEU 82 3HD1 LEU 82 -11.220 16.474 3.451 602 HD21 LEU 82 3HD2 LEU 82 -10.885 18.464 4.971 603 HD22 LEU 82 1HD2 LEU 82 -9.611 18.481 3.752 604 HD23 LEU 82 2HD2 LEU 82 -9.206 18.710 5.453 605 H ASP 83 H ASP 83 -7.030 15.013 7.796 606 HA ASP 83 HA ASP 83 -5.282 14.786 5.670 607 HB2 ASP 83 1HB ASP 83 -5.058 14.192 8.593 608 HB3 ASP 83 2HB ASP 83 -3.736 13.728 7.526 609 H SER 84 H SER 84 -6.787 12.229 7.582 610 HA SER 84 HA SER 84 -5.361 10.134 6.207 611 HB2 SER 84 1HB SER 84 -7.517 10.205 8.298 612 HB3 SER 84 2HB SER 84 -7.128 8.696 7.472 613 HG SER 84 HG SER 84 -5.782 8.691 9.166 614 H LEU 85 H LEU 85 -8.363 11.826 5.852 615 HA LEU 85 HA LEU 85 -9.721 9.911 4.262 616 HB2 LEU 85 1HB LEU 85 -10.047 12.789 4.897 617 HB3 LEU 85 2HB LEU 85 -10.864 12.179 3.459 618 HG LEU 85 HG LEU 85 -12.371 12.202 5.359 619 HD11 LEU 85 1HD1 LEU 85 -12.183 9.359 5.348 620 HD12 LEU 85 2HD1 LEU 85 -11.788 9.964 3.740 621 HD13 LEU 85 3HD1 LEU 85 -13.322 10.400 4.493 622 HD21 LEU 85 3HD2 LEU 85 -10.244 10.517 6.657 623 HD22 LEU 85 1HD2 LEU 85 -11.908 10.572 7.238 624 HD23 LEU 85 2HD2 LEU 85 -10.931 12.040 7.224 625 H LEU 86 H LEU 86 -7.549 12.585 3.522 626 HA LEU 86 HA LEU 86 -7.858 12.252 0.669 627 HB2 LEU 86 1HB LEU 86 -6.116 13.980 0.515 628 HB3 LEU 86 2HB LEU 86 -7.476 14.465 1.526 629 HG LEU 86 HG LEU 86 -5.878 13.588 3.452 630 HD11 LEU 86 1HD1 LEU 86 -3.724 14.794 1.878 631 HD12 LEU 86 2HD1 LEU 86 -4.218 13.191 1.334 632 HD13 LEU 86 3HD1 LEU 86 -3.690 13.432 2.999 633 HD21 LEU 86 3HD2 LEU 86 -6.409 15.734 3.837 634 HD22 LEU 86 1HD2 LEU 86 -6.273 16.179 2.136 635 HD23 LEU 86 2HD2 LEU 86 -4.825 16.074 3.138 636 H LYS 87 H LYS 87 -5.820 11.039 3.168 637 HA LYS 87 HA LYS 87 -3.656 10.257 1.441 638 HB2 LYS 87 1HB LYS 87 -3.676 10.722 4.032 639 HB3 LYS 87 2HB LYS 87 -4.113 9.021 4.126 640 HG2 LYS 87 1HG LYS 87 -2.069 8.311 3.432 641 HG3 LYS 87 2HG LYS 87 -1.781 9.747 2.447 642 HD2 LYS 87 1HD LYS 87 -1.926 10.058 5.405 643 HD3 LYS 87 2HD LYS 87 -0.473 9.341 4.704 644 HE2 LYS 87 1HE LYS 87 -0.333 11.326 3.186 645 HE3 LYS 87 2HE LYS 87 -1.655 12.048 4.101 646 HZ1 LYS 87 3HZ LYS 87 -0.321 12.506 5.836 647 HZ2 LYS 87 1HZ LYS 87 0.909 12.431 4.677 648 HZ3 LYS 87 2HZ LYS 87 0.598 11.095 5.666 649 H THR 88 H THR 88 -6.298 8.564 3.111 650 HA THR 88 HA THR 88 -5.669 6.093 1.712 651 HB THR 88 HB THR 88 -7.296 5.028 3.086 652 HG1 THR 88 HG1 THR 88 -8.988 6.062 3.844 653 HG21 THR 88 3HG2 THR 88 -5.848 7.139 4.687 654 HG22 THR 88 1HG2 THR 88 -5.242 5.539 4.263 655 HG23 THR 88 2HG2 THR 88 -6.607 5.701 5.369 656 H GLY 89 H GLY 89 -8.203 8.555 1.791 657 HA2 GLY 89 1HA GLY 89 -9.564 9.182 -0.004 658 HA3 GLY 89 2HA GLY 89 -9.038 7.748 -0.874 659 H LYS 90 H LYS 90 -10.054 7.216 2.344 660 HA LYS 90 HA LYS 90 -12.780 6.547 1.501 661 HB2 LYS 90 1HB LYS 90 -10.879 4.657 2.899 662 HB3 LYS 90 2HB LYS 90 -12.604 4.369 2.707 663 HG2 LYS 90 1HG LYS 90 -11.829 3.183 0.935 664 HG3 LYS 90 2HG LYS 90 -12.023 4.757 0.159 665 HD2 LYS 90 1HD LYS 90 -9.771 5.126 0.035 666 HD3 LYS 90 2HD LYS 90 -9.425 4.169 1.478 667 HE2 LYS 90 1HE LYS 90 -9.355 2.200 0.320 668 HE3 LYS 90 2HE LYS 90 -10.488 2.757 -0.910 669 HZ1 LYS 90 3HZ LYS 90 -8.565 4.327 -1.557 670 HZ2 LYS 90 1HZ LYS 90 -8.499 2.706 -2.040 671 HZ3 LYS 90 2HZ LYS 90 -7.590 3.231 -0.714 672 H LEU 91 H LEU 91 -14.281 6.304 3.262 673 HA LEU 91 HA LEU 91 -13.447 7.828 5.632 674 HB2 LEU 91 1HB LEU 91 -15.212 8.961 4.624 675 HB3 LEU 91 2HB LEU 91 -16.066 7.471 4.229 676 HG LEU 91 HG LEU 91 -16.565 7.186 6.651 677 HD11 LEU 91 1HD1 LEU 91 -16.228 9.011 8.176 678 HD12 LEU 91 2HD1 LEU 91 -15.518 10.001 6.901 679 HD13 LEU 91 3HD1 LEU 91 -14.675 8.561 7.472 680 HD21 LEU 91 3HD2 LEU 91 -18.296 8.912 6.728 681 HD22 LEU 91 1HD2 LEU 91 -18.203 8.163 5.134 682 HD23 LEU 91 2HD2 LEU 91 -17.510 9.763 5.398 683 H ILE 92 H ILE 92 -13.119 6.719 7.432 684 HA ILE 92 HA ILE 92 -13.130 5.036 8.972 685 HB ILE 92 HB ILE 92 -16.045 4.912 8.189 686 HG12 ILE 92 1HG1 ILE 92 -14.804 6.343 10.539 687 HG13 ILE 92 2HG1 ILE 92 -15.096 7.135 8.994 688 HG21 ILE 92 1HG2 ILE 92 -15.741 4.234 10.877 689 HG22 ILE 92 2HG2 ILE 92 -16.166 3.157 9.547 690 HG23 ILE 92 3HG2 ILE 92 -14.479 3.340 10.028 691 HD11 ILE 92 3HD1 ILE 92 -16.949 6.454 11.137 692 HD12 ILE 92 1HD1 ILE 92 -17.064 7.684 9.878 693 HD13 ILE 92 2HD1 ILE 92 -17.524 6.018 9.528 Start of MODEL 9 1 H1 GLY 1 H GLY 1 0.128 5.314 6.273 2 HA2 GLY 1 1HA GLY 1 0.372 3.653 4.254 3 HA3 GLY 1 2HA GLY 1 -1.232 4.277 3.896 4 HA PRO 2 HA PRO 2 1.834 8.005 3.463 5 HB2 PRO 2 1HB PRO 2 4.477 7.386 3.464 6 HB3 PRO 2 2HB PRO 2 3.588 7.801 4.934 7 HG2 PRO 2 1HG PRO 2 4.337 5.105 3.870 8 HG3 PRO 2 2HG PRO 2 4.412 5.711 5.535 9 HD2 PRO 2 1HD PRO 2 2.403 4.124 4.652 10 HD3 PRO 2 2HD PRO 2 2.161 5.368 5.895 11 H GLY 3 H GLY 3 2.788 4.871 2.140 12 HA2 GLY 3 1HA GLY 3 3.616 6.088 -0.376 13 HA3 GLY 3 2HA GLY 3 3.724 4.385 0.044 14 H SER 4 H SER 4 1.173 6.845 -0.369 15 HA SER 4 HA SER 4 -0.065 5.542 -2.533 16 HB2 SER 4 1HB SER 4 -2.093 4.683 -1.419 17 HB3 SER 4 2HB SER 4 -0.647 3.836 -0.870 18 HG SER 4 HG SER 4 -1.472 4.336 1.018 19 H MET 5 H MET 5 -1.621 6.815 -3.455 20 HA MET 5 HA MET 5 -2.689 9.059 -1.913 21 HB2 MET 5 1HB MET 5 -0.609 9.807 -3.096 22 HB3 MET 5 2HB MET 5 -1.399 9.428 -4.620 23 HG2 MET 5 1HG MET 5 -2.826 11.231 -2.755 24 HG3 MET 5 2HG MET 5 -1.399 11.862 -3.573 25 HE1 MET 5 3HE MET 5 -2.132 12.723 -6.804 26 HE2 MET 5 1HE MET 5 -0.942 11.925 -5.774 27 HE3 MET 5 2HE MET 5 -1.804 11.001 -7.005 28 H VAL 6 H VAL 6 -4.698 9.754 -2.562 29 HA VAL 6 HA VAL 6 -5.970 8.152 -4.681 30 HB VAL 6 HB VAL 6 -8.089 8.494 -3.559 31 HG11 VAL 6 1HG1 VAL 6 -6.029 6.918 -2.636 32 HG12 VAL 6 2HG1 VAL 6 -6.609 7.720 -1.176 33 HG13 VAL 6 3HG1 VAL 6 -7.724 6.783 -2.171 34 HG21 VAL 6 3HG2 VAL 6 -6.600 10.565 -2.173 35 HG22 VAL 6 1HG2 VAL 6 -8.341 10.368 -2.377 36 HG23 VAL 6 2HG2 VAL 6 -7.508 9.536 -1.064 37 H ASP 7 H ASP 7 -7.117 9.136 -6.286 38 HA ASP 7 HA ASP 7 -6.474 11.789 -6.973 39 HB2 ASP 7 1HB ASP 7 -8.663 9.988 -8.030 40 HB3 ASP 7 2HB ASP 7 -8.161 11.502 -8.777 41 H VAL 8 H VAL 8 -7.254 13.621 -6.191 42 HA VAL 8 HA VAL 8 -9.901 13.599 -4.905 43 HB VAL 8 HB VAL 8 -7.659 15.591 -4.541 44 HG11 VAL 8 1HG1 VAL 8 -8.990 16.407 -2.657 45 HG12 VAL 8 2HG1 VAL 8 -9.871 16.557 -4.179 46 HG13 VAL 8 3HG1 VAL 8 -10.264 15.254 -3.056 47 HG21 VAL 8 3HG2 VAL 8 -8.589 13.389 -2.699 48 HG22 VAL 8 1HG2 VAL 8 -7.102 13.372 -3.647 49 HG23 VAL 8 2HG2 VAL 8 -7.316 14.563 -2.364 50 H ILE 9 H ILE 9 -11.518 14.662 -5.837 51 HA ILE 9 HA ILE 9 -10.871 16.751 -7.813 52 HB ILE 9 HB ILE 9 -13.291 14.963 -7.966 53 HG12 ILE 9 1HG1 ILE 9 -10.657 14.686 -9.429 54 HG13 ILE 9 2HG1 ILE 9 -11.267 13.591 -8.193 55 HG21 ILE 9 1HG2 ILE 9 -11.985 16.788 -9.980 56 HG22 ILE 9 2HG2 ILE 9 -13.409 15.788 -10.266 57 HG23 ILE 9 3HG2 ILE 9 -13.479 17.110 -9.101 58 HD11 ILE 9 3HD1 ILE 9 -12.048 13.882 -11.029 59 HD12 ILE 9 1HD1 ILE 9 -11.880 12.434 -10.037 60 HD13 ILE 9 2HD1 ILE 9 -13.311 13.453 -9.875 61 H ILE 10 H ILE 10 -12.200 18.560 -7.888 62 HA ILE 10 HA ILE 10 -14.240 18.779 -5.780 63 HB ILE 10 HB ILE 10 -12.086 19.883 -5.099 64 HG12 ILE 10 1HG1 ILE 10 -14.496 21.675 -5.472 65 HG13 ILE 10 2HG1 ILE 10 -14.242 20.551 -4.141 66 HG21 ILE 10 1HG2 ILE 10 -11.389 20.670 -7.296 67 HG22 ILE 10 2HG2 ILE 10 -12.772 21.761 -7.355 68 HG23 ILE 10 3HG2 ILE 10 -11.503 22.011 -6.157 69 HD11 ILE 10 3HD1 ILE 10 -12.722 23.068 -4.746 70 HD12 ILE 10 1HD1 ILE 10 -13.725 22.711 -3.341 71 HD13 ILE 10 2HD1 ILE 10 -12.189 21.874 -3.563 72 H TYR 11 H TYR 11 -16.074 19.834 -6.338 73 HA TYR 11 HA TYR 11 -16.200 20.909 -9.077 74 HB2 TYR 11 1HB TYR 11 -17.933 19.108 -7.575 75 HB3 TYR 11 2HB TYR 11 -18.816 20.463 -8.269 76 HD1 TYR 11 HD2 TYR 11 -15.876 18.595 -9.599 77 HD2 TYR 11 HD1 TYR 11 -19.986 19.586 -10.077 78 HE1 TYR 11 HE2 TYR 11 -15.889 17.462 -11.782 79 HE2 TYR 11 HE1 TYR 11 -20.011 18.455 -12.261 80 HH TYR 11 HH TYR 11 -17.533 16.401 -13.295 81 H THR 12 H THR 12 -16.292 23.044 -9.161 82 HA THR 12 HA THR 12 -17.996 24.476 -7.255 83 HB THR 12 HB THR 12 -16.384 26.130 -6.738 84 HG1 THR 12 HG1 THR 12 -14.479 24.887 -8.436 85 HG21 THR 12 3HG2 THR 12 -14.731 24.926 -5.544 86 HG22 THR 12 1HG2 THR 12 -14.776 23.584 -6.686 87 HG23 THR 12 2HG2 THR 12 -16.141 23.870 -5.607 88 H ARG 13 H ARG 13 -18.650 26.592 -7.982 89 HA ARG 13 HA ARG 13 -18.668 26.779 -10.915 90 HB2 ARG 13 1HB ARG 13 -20.689 28.151 -10.643 91 HB3 ARG 13 2HB ARG 13 -20.873 26.569 -9.897 92 HG2 ARG 13 1HG ARG 13 -20.779 27.432 -7.745 93 HG3 ARG 13 2HG ARG 13 -20.010 28.929 -8.275 94 HD2 ARG 13 1HD ARG 13 -22.855 28.087 -8.820 95 HD3 ARG 13 2HD ARG 13 -22.334 29.320 -7.673 96 HE ARG 13 HE ARG 13 -21.311 30.125 -10.079 97 HH11 ARG 13 1HH1 ARG 13 -24.483 29.368 -8.858 98 HH12 ARG 13 2HH1 ARG 13 -25.297 30.469 -9.920 99 HH21 ARG 13 1HH2 ARG 13 -22.371 31.578 -11.481 100 HH22 ARG 13 2HH2 ARG 13 -24.095 31.725 -11.412 101 HA PRO 14 HA PRO 14 -16.356 30.509 -10.925 102 HB2 PRO 14 1HB PRO 14 -17.488 31.831 -13.008 103 HB3 PRO 14 2HB PRO 14 -16.444 30.420 -13.219 104 HG2 PRO 14 1HG PRO 14 -19.433 30.586 -13.241 105 HG3 PRO 14 2HG PRO 14 -18.355 29.679 -14.317 106 HD2 PRO 14 1HD PRO 14 -19.677 28.514 -12.261 107 HD3 PRO 14 2HD PRO 14 -18.078 27.964 -12.802 108 H GLY 15 H GLY 15 -17.598 30.948 -8.789 109 HA2 GLY 15 1HA GLY 15 -18.023 33.420 -8.152 110 HA3 GLY 15 2HA GLY 15 -19.478 33.187 -9.110 111 H CYS 16 H CYS 16 -17.725 31.576 -6.454 112 HA CYS 16 HA CYS 16 -20.155 31.573 -4.865 113 HB2 CYS 16 1HB CYS 16 -19.878 29.099 -4.387 114 HB3 CYS 16 2HB CYS 16 -20.493 29.502 -5.987 115 HA PRO 17 HA PRO 17 -16.995 32.407 -1.861 116 HB2 PRO 17 1HB PRO 17 -18.646 32.532 0.291 117 HB3 PRO 17 2HB PRO 17 -18.516 33.834 -0.897 118 HG2 PRO 17 1HG PRO 17 -20.585 31.683 -0.664 119 HG3 PRO 17 2HG PRO 17 -20.799 33.409 -1.010 120 HD2 PRO 17 1HD PRO 17 -20.846 31.518 -2.947 121 HD3 PRO 17 2HD PRO 17 -20.239 33.162 -3.232 122 H TYR 18 H TYR 18 -19.546 30.045 -1.060 123 HA TYR 18 HA TYR 18 -18.277 28.668 0.957 124 HB2 TYR 18 1HB TYR 18 -19.972 27.375 -1.185 125 HB3 TYR 18 2HB TYR 18 -19.733 26.812 0.465 126 HD1 TYR 18 HD2 TYR 18 -20.060 29.360 1.958 127 HD2 TYR 18 HD1 TYR 18 -22.275 27.759 -1.303 128 HE1 TYR 18 HE2 TYR 18 -22.036 30.634 2.681 129 HE2 TYR 18 HE1 TYR 18 -24.256 29.030 -0.589 130 HH TYR 18 HH TYR 18 -24.112 31.520 1.709 131 H CYS 19 H CYS 19 -17.807 28.411 -2.513 132 HA CYS 19 HA CYS 19 -16.184 26.072 -2.426 133 HB2 CYS 19 1HB CYS 19 -16.095 28.158 -4.598 134 HB3 CYS 19 2HB CYS 19 -15.804 26.427 -4.734 135 H ALA 20 H ALA 20 -15.438 29.535 -2.758 136 HA ALA 20 HA ALA 20 -12.700 29.429 -2.973 137 HB1 ALA 20 1HB ALA 20 -13.575 31.550 -3.206 138 HB2 ALA 20 2HB ALA 20 -14.556 31.423 -1.746 139 HB3 ALA 20 3HB ALA 20 -12.812 31.650 -1.619 140 H ARG 21 H ARG 21 -14.614 29.472 0.026 141 HA ARG 21 HA ARG 21 -12.438 29.402 1.803 142 HB2 ARG 21 1HB ARG 21 -15.321 28.577 2.059 143 HB3 ARG 21 2HB ARG 21 -14.190 28.389 3.391 144 HG2 ARG 21 1HG ARG 21 -14.852 30.986 2.018 145 HG3 ARG 21 2HG ARG 21 -15.495 30.448 3.571 146 HD2 ARG 21 1HD ARG 21 -12.903 30.192 4.107 147 HD3 ARG 21 2HD ARG 21 -12.789 31.441 2.868 148 HE ARG 21 HE ARG 21 -13.813 31.734 5.536 149 HH11 ARG 21 1HH1 ARG 21 -13.887 32.990 2.290 150 HH12 ARG 21 2HH1 ARG 21 -14.381 34.578 2.775 151 HH21 ARG 21 1HH2 ARG 21 -14.464 33.821 6.188 152 HH22 ARG 21 2HH2 ARG 21 -14.708 35.050 4.993 153 H ALA 22 H ALA 22 -14.401 26.793 0.412 154 HA ALA 22 HA ALA 22 -13.293 24.637 1.764 155 HB1 ALA 22 1HB ALA 22 -13.886 23.366 -0.402 156 HB2 ALA 22 2HB ALA 22 -15.182 24.144 0.507 157 HB3 ALA 22 3HB ALA 22 -14.539 24.912 -0.944 158 H LYS 23 H LYS 23 -12.311 25.963 -1.397 159 HA LYS 23 HA LYS 23 -10.141 24.266 -1.837 160 HB2 LYS 23 1HB LYS 23 -10.487 27.138 -2.720 161 HB3 LYS 23 2HB LYS 23 -9.330 25.998 -3.395 162 HG2 LYS 23 1HG LYS 23 -11.708 24.651 -3.630 163 HG3 LYS 23 2HG LYS 23 -12.170 26.327 -3.938 164 HD2 LYS 23 1HD LYS 23 -9.783 25.102 -5.281 165 HD3 LYS 23 2HD LYS 23 -11.410 24.876 -5.928 166 HE2 LYS 23 1HE LYS 23 -11.698 27.226 -6.219 167 HE3 LYS 23 2HE LYS 23 -10.217 27.576 -5.329 168 HZ1 LYS 23 3HZ LYS 23 -10.374 27.432 -7.996 169 HZ2 LYS 23 1HZ LYS 23 -9.878 25.857 -7.630 170 HZ3 LYS 23 2HZ LYS 23 -8.951 27.175 -7.117 171 H ALA 24 H ALA 24 -10.192 27.513 -0.375 172 HA ALA 24 HA ALA 24 -7.471 27.747 0.158 173 HB1 ALA 24 1HB ALA 24 -7.999 29.579 1.449 174 HB2 ALA 24 2HB ALA 24 -9.427 29.449 0.422 175 HB3 ALA 24 3HB ALA 24 -9.474 28.846 2.078 176 H LEU 25 H LEU 25 -9.986 26.040 1.901 177 HA LEU 25 HA LEU 25 -8.478 25.584 4.271 178 HB2 LEU 25 1HB LEU 25 -11.029 25.426 3.867 179 HB3 LEU 25 2HB LEU 25 -10.678 23.789 3.317 180 HG LEU 25 HG LEU 25 -11.448 23.874 5.655 181 HD11 LEU 25 1HD1 LEU 25 -9.472 22.354 4.602 182 HD12 LEU 25 2HD1 LEU 25 -10.146 22.134 6.216 183 HD13 LEU 25 3HD1 LEU 25 -8.652 23.047 6.002 184 HD21 LEU 25 3HD2 LEU 25 -8.861 25.316 6.216 185 HD22 LEU 25 1HD2 LEU 25 -10.101 24.851 7.381 186 HD23 LEU 25 2HD2 LEU 25 -10.446 26.091 6.174 187 H LEU 26 H LEU 26 -9.179 23.599 1.408 188 HA LEU 26 HA LEU 26 -7.649 21.368 2.274 189 HB2 LEU 26 1HB LEU 26 -9.090 22.188 -0.145 190 HB3 LEU 26 2HB LEU 26 -7.704 21.141 -0.443 191 HG LEU 26 HG LEU 26 -9.848 20.403 1.529 192 HD11 LEU 26 1HD1 LEU 26 -11.122 19.362 -0.105 193 HD12 LEU 26 2HD1 LEU 26 -9.824 19.420 -1.298 194 HD13 LEU 26 3HD1 LEU 26 -10.687 20.895 -0.862 195 HD21 LEU 26 3HD2 LEU 26 -8.979 18.100 0.610 196 HD22 LEU 26 1HD2 LEU 26 -8.098 18.965 1.870 197 HD23 LEU 26 2HD2 LEU 26 -7.553 19.052 0.194 198 H ALA 27 H ALA 27 -6.896 24.308 0.572 199 HA ALA 27 HA ALA 27 -4.373 23.448 -0.458 200 HB1 ALA 27 1HB ALA 27 -4.033 25.722 -1.096 201 HB2 ALA 27 2HB ALA 27 -5.729 25.331 -1.388 202 HB3 ALA 27 3HB ALA 27 -5.274 26.281 0.026 203 H ARG 28 H ARG 28 -5.449 25.073 2.473 204 HA ARG 28 HA ARG 28 -3.053 25.999 3.483 205 HB2 ARG 28 1HB ARG 28 -5.250 26.412 4.523 206 HB3 ARG 28 2HB ARG 28 -5.313 24.733 5.042 207 HG2 ARG 28 1HG ARG 28 -3.090 25.270 6.247 208 HG3 ARG 28 2HG ARG 28 -3.579 26.953 6.037 209 HD2 ARG 28 1HD ARG 28 -5.477 26.691 7.368 210 HD3 ARG 28 2HD ARG 28 -5.455 24.935 7.213 211 HE ARG 28 HE ARG 28 -3.114 25.782 8.518 212 HH11 ARG 28 1HH1 ARG 28 -6.545 25.517 9.046 213 HH12 ARG 28 2HH1 ARG 28 -6.398 25.327 10.762 214 HH21 ARG 28 1HH2 ARG 28 -2.907 25.533 10.776 215 HH22 ARG 28 2HH2 ARG 28 -4.329 25.337 11.745 216 H LYS 29 H LYS 29 -4.493 22.777 3.945 217 HA LYS 29 HA LYS 29 -2.314 21.745 5.439 218 HB2 LYS 29 1HB LYS 29 -3.352 19.515 4.881 219 HB3 LYS 29 2HB LYS 29 -4.423 20.665 5.670 220 HG2 LYS 29 1HG LYS 29 -5.498 21.178 3.583 221 HG3 LYS 29 2HG LYS 29 -4.345 20.173 2.701 222 HD2 LYS 29 1HD LYS 29 -6.467 19.007 3.019 223 HD3 LYS 29 2HD LYS 29 -5.161 18.194 3.885 224 HE2 LYS 29 1HE LYS 29 -6.707 20.240 5.370 225 HE3 LYS 29 2HE LYS 29 -7.530 18.726 4.999 226 HZ1 LYS 29 3HZ LYS 29 -5.531 19.252 6.952 227 HZ2 LYS 29 1HZ LYS 29 -5.052 17.994 5.927 228 HZ3 LYS 29 2HZ LYS 29 -6.516 17.889 6.768 229 H GLY 30 H GLY 30 -2.749 22.355 2.115 230 HA2 GLY 30 1HA GLY 30 -1.023 22.246 0.520 231 HA3 GLY 30 2HA GLY 30 -0.175 21.100 1.548 232 H ALA 31 H ALA 31 -3.522 20.539 0.977 233 HA ALA 31 HA ALA 31 -2.855 18.135 -0.523 234 HB1 ALA 31 1HB ALA 31 -5.348 17.692 -0.238 235 HB2 ALA 31 2HB ALA 31 -4.362 17.708 1.225 236 HB3 ALA 31 3HB ALA 31 -5.360 19.104 0.820 237 H GLU 32 H GLU 32 -2.804 18.180 -2.665 238 HA GLU 32 HA GLU 32 -4.058 20.314 -4.146 239 HB2 GLU 32 1HB GLU 32 -2.306 17.987 -4.876 240 HB3 GLU 32 2HB GLU 32 -3.126 18.914 -6.124 241 HG2 GLU 32 1HG GLU 32 -1.862 20.785 -5.765 242 HG3 GLU 32 2HG GLU 32 -1.530 20.372 -4.084 243 H PHE 33 H PHE 33 -5.587 20.026 -5.840 244 HA PHE 33 HA PHE 33 -6.970 17.503 -6.089 245 HB2 PHE 33 1HB PHE 33 -9.196 18.545 -5.513 246 HB3 PHE 33 2HB PHE 33 -8.120 18.282 -4.145 247 HD1 PHE 33 HD1 PHE 33 -9.526 20.822 -6.408 248 HD2 PHE 33 HD2 PHE 33 -7.297 20.094 -2.856 249 HE1 PHE 33 HE1 PHE 33 -9.737 23.195 -5.793 250 HE2 PHE 33 HE2 PHE 33 -7.505 22.466 -2.235 251 HZ PHE 33 HZ PHE 33 -8.727 24.020 -3.704 252 H ASN 34 H ASN 34 -8.467 17.462 -7.845 253 HA ASN 34 HA ASN 34 -7.730 19.277 -9.962 254 HB2 ASN 34 1HB ASN 34 -8.841 16.633 -9.764 255 HB3 ASN 34 2HB ASN 34 -9.859 17.619 -10.809 256 HD21 ASN 34 2HD2 ASN 34 -9.341 16.772 -12.743 257 HD22 ASN 34 1HD2 ASN 34 -7.756 16.809 -13.431 258 H GLU 35 H GLU 35 -8.711 21.145 -10.321 259 HA GLU 35 HA GLU 35 -11.290 21.706 -9.126 260 HB2 GLU 35 1HB GLU 35 -9.431 23.362 -9.080 261 HB3 GLU 35 2HB GLU 35 -9.543 23.489 -10.830 262 HG2 GLU 35 1HG GLU 35 -12.029 24.085 -10.359 263 HG3 GLU 35 2HG GLU 35 -11.438 24.449 -8.738 264 H ILE 36 H ILE 36 -13.138 21.328 -10.135 265 HA ILE 36 HA ILE 36 -13.237 21.599 -13.063 266 HB ILE 36 HB ILE 36 -14.658 19.443 -11.497 267 HG12 ILE 36 1HG1 ILE 36 -12.326 19.172 -13.405 268 HG13 ILE 36 2HG1 ILE 36 -12.183 19.125 -11.651 269 HG21 ILE 36 1HG2 ILE 36 -14.841 20.441 -14.251 270 HG22 ILE 36 2HG2 ILE 36 -14.715 18.689 -14.102 271 HG23 ILE 36 3HG2 ILE 36 -16.017 19.552 -13.283 272 HD11 ILE 36 3HD1 ILE 36 -12.198 16.893 -12.272 273 HD12 ILE 36 1HD1 ILE 36 -13.863 17.192 -11.773 274 HD13 ILE 36 2HD1 ILE 36 -13.451 17.138 -13.488 275 H ASP 37 H ASP 37 -15.176 22.352 -13.925 276 HA ASP 37 HA ASP 37 -17.022 23.522 -11.950 277 HB2 ASP 37 1HB ASP 37 -16.144 24.463 -14.674 278 HB3 ASP 37 2HB ASP 37 -17.599 25.089 -13.904 279 H ALA 38 H ALA 38 -19.227 23.324 -12.230 280 HA ALA 38 HA ALA 38 -20.081 21.424 -14.316 281 HB1 ALA 38 1HB ALA 38 -20.983 20.126 -12.760 282 HB2 ALA 38 2HB ALA 38 -20.270 21.166 -11.527 283 HB3 ALA 38 3HB ALA 38 -21.905 21.481 -12.107 284 H SER 39 H SER 39 -20.722 24.406 -12.639 285 HA SER 39 HA SER 39 -23.343 24.908 -13.431 286 HB2 SER 39 1HB SER 39 -22.454 26.392 -11.838 287 HB3 SER 39 2HB SER 39 -21.019 26.718 -12.810 288 HG SER 39 HG SER 39 -23.666 27.493 -13.486 289 H ALA 40 H ALA 40 -20.442 24.868 -15.273 290 HA ALA 40 HA ALA 40 -20.932 26.620 -17.342 291 HB1 ALA 40 1HB ALA 40 -19.324 25.489 -18.553 292 HB2 ALA 40 2HB ALA 40 -18.931 25.023 -16.897 293 HB3 ALA 40 3HB ALA 40 -19.820 23.912 -17.939 294 H THR 41 H THR 41 -22.195 23.349 -16.890 295 HA THR 41 HA THR 41 -24.080 23.858 -19.099 296 HB THR 41 HB THR 41 -24.105 21.192 -19.082 297 HG1 THR 41 HG1 THR 41 -22.212 20.321 -18.461 298 HG21 THR 41 3HG2 THR 41 -22.541 21.240 -20.960 299 HG22 THR 41 1HG2 THR 41 -21.981 22.837 -20.465 300 HG23 THR 41 2HG2 THR 41 -23.639 22.618 -21.025 301 HA PRO 42 HA PRO 42 -27.406 23.065 -16.348 302 HB2 PRO 42 1HB PRO 42 -29.166 21.759 -17.950 303 HB3 PRO 42 2HB PRO 42 -28.825 23.486 -18.106 304 HG2 PRO 42 1HG PRO 42 -27.746 21.191 -19.697 305 HG3 PRO 42 2HG PRO 42 -28.310 22.775 -20.259 306 HD2 PRO 42 1HD PRO 42 -25.684 22.185 -19.962 307 HD3 PRO 42 2HD PRO 42 -26.331 23.818 -19.702 308 H GLU 43 H GLU 43 -26.514 20.235 -18.315 309 HA GLU 43 HA GLU 43 -27.672 18.298 -16.635 310 HB2 GLU 43 1HB GLU 43 -26.950 17.903 -18.985 311 HB3 GLU 43 2HB GLU 43 -25.277 17.968 -18.449 312 HG2 GLU 43 1HG GLU 43 -25.454 15.971 -17.258 313 HG3 GLU 43 2HG GLU 43 -27.216 16.020 -17.261 314 H LEU 44 H LEU 44 -24.300 19.420 -16.879 315 HA LEU 44 HA LEU 44 -23.250 17.838 -14.831 316 HB2 LEU 44 1HB LEU 44 -22.451 20.364 -16.171 317 HB3 LEU 44 2HB LEU 44 -21.641 19.945 -14.663 318 HG LEU 44 HG LEU 44 -21.716 18.222 -17.140 319 HD11 LEU 44 1HD1 LEU 44 -19.780 19.129 -17.818 320 HD12 LEU 44 2HD1 LEU 44 -19.172 19.320 -16.174 321 HD13 LEU 44 3HD1 LEU 44 -20.290 20.508 -16.843 322 HD21 LEU 44 3HD2 LEU 44 -21.312 17.469 -14.514 323 HD22 LEU 44 1HD2 LEU 44 -19.679 17.681 -15.144 324 HD23 LEU 44 2HD2 LEU 44 -20.797 16.579 -15.948 325 H ARG 45 H ARG 45 -25.095 20.785 -14.723 326 HA ARG 45 HA ARG 45 -24.498 21.290 -11.936 327 HB2 ARG 45 1HB ARG 45 -24.842 23.215 -13.332 328 HB3 ARG 45 2HB ARG 45 -26.391 22.597 -13.891 329 HG2 ARG 45 1HG ARG 45 -27.461 23.106 -11.906 330 HG3 ARG 45 2HG ARG 45 -25.955 23.145 -10.988 331 HD2 ARG 45 1HD ARG 45 -25.390 25.255 -11.756 332 HD3 ARG 45 2HD ARG 45 -26.418 25.119 -13.182 333 HE ARG 45 HE ARG 45 -27.182 26.061 -10.585 334 HH11 ARG 45 1HH1 ARG 45 -28.318 24.563 -13.514 335 HH12 ARG 45 2HH1 ARG 45 -29.951 25.103 -13.312 336 HH21 ARG 45 1HH2 ARG 45 -29.329 26.780 -10.307 337 HH22 ARG 45 2HH2 ARG 45 -30.525 26.365 -11.488 338 H ALA 46 H ALA 46 -26.959 19.724 -13.832 339 HA ALA 46 HA ALA 46 -29.028 19.670 -11.921 340 HB1 ALA 46 1HB ALA 46 -29.205 19.124 -14.379 341 HB2 ALA 46 2HB ALA 46 -28.529 17.542 -13.987 342 HB3 ALA 46 3HB ALA 46 -30.067 18.042 -13.285 343 H GLU 47 H GLU 47 -26.642 17.155 -12.772 344 HA GLU 47 HA GLU 47 -27.377 15.418 -10.660 345 HB2 GLU 47 1HB GLU 47 -25.350 14.183 -11.213 346 HB3 GLU 47 2HB GLU 47 -26.212 14.638 -12.676 347 HG2 GLU 47 1HG GLU 47 -24.629 16.644 -12.761 348 HG3 GLU 47 2HG GLU 47 -23.666 15.764 -11.576 349 H MET 48 H MET 48 -25.083 18.047 -10.932 350 HA MET 48 HA MET 48 -23.649 17.486 -8.542 351 HB2 MET 48 1HB MET 48 -22.667 18.882 -10.263 352 HB3 MET 48 2HB MET 48 -23.973 20.049 -10.109 353 HG2 MET 48 1HG MET 48 -23.219 20.343 -7.702 354 HG3 MET 48 2HG MET 48 -21.769 19.455 -8.167 355 HE1 MET 48 3HE MET 48 -23.024 23.577 -9.804 356 HE2 MET 48 1HE MET 48 -23.915 22.111 -10.214 357 HE3 MET 48 2HE MET 48 -23.875 22.679 -8.545 358 H GLN 49 H GLN 49 -26.398 19.580 -9.311 359 HA GLN 49 HA GLN 49 -26.611 20.587 -6.629 360 HB2 GLN 49 1HB GLN 49 -28.442 21.850 -7.396 361 HB3 GLN 49 2HB GLN 49 -27.344 21.776 -8.768 362 HG2 GLN 49 1HG GLN 49 -28.681 20.060 -9.803 363 HG3 GLN 49 2HG GLN 49 -29.736 19.990 -8.392 364 HE21 GLN 49 2HE2 GLN 49 -28.388 22.810 -10.031 365 HE22 GLN 49 1HE2 GLN 49 -29.907 23.497 -10.483 366 H GLU 50 H GLU 50 -27.785 17.847 -8.353 367 HA GLU 50 HA GLU 50 -30.055 17.316 -6.707 368 HB2 GLU 50 1HB GLU 50 -29.952 16.395 -8.942 369 HB3 GLU 50 2HB GLU 50 -28.466 15.537 -8.561 370 HG2 GLU 50 1HG GLU 50 -29.721 14.214 -6.882 371 HG3 GLU 50 2HG GLU 50 -31.199 15.008 -7.422 372 H ARG 51 H ARG 51 -26.672 16.353 -6.666 373 HA ARG 51 HA ARG 51 -26.869 14.341 -4.706 374 HB2 ARG 51 1HB ARG 51 -24.595 16.120 -5.573 375 HB3 ARG 51 2HB ARG 51 -24.403 14.885 -4.335 376 HG2 ARG 51 1HG ARG 51 -24.961 13.151 -5.899 377 HG3 ARG 51 2HG ARG 51 -25.349 14.344 -7.140 378 HD2 ARG 51 1HD ARG 51 -23.234 14.289 -7.811 379 HD3 ARG 51 2HD ARG 51 -22.744 14.926 -6.242 380 HE ARG 51 HE ARG 51 -21.902 12.869 -5.752 381 HH11 ARG 51 1HH1 ARG 51 -24.316 12.506 -8.234 382 HH12 ARG 51 2HH1 ARG 51 -24.040 10.807 -8.436 383 HH21 ARG 51 1HH2 ARG 51 -21.530 10.634 -6.008 384 HH22 ARG 51 2HH2 ARG 51 -22.456 9.743 -7.168 385 H SER 52 H SER 52 -26.273 17.823 -4.468 386 HA SER 52 HA SER 52 -26.061 17.726 -1.590 387 HB2 SER 52 1HB SER 52 -25.033 19.429 -3.411 388 HB3 SER 52 2HB SER 52 -26.476 20.330 -2.947 389 HG SER 52 HG SER 52 -24.804 19.235 -0.970 390 H GLY 53 H GLY 53 -28.464 18.634 -3.996 391 HA2 GLY 53 1HA GLY 53 -30.788 18.553 -3.671 392 HA3 GLY 53 2HA GLY 53 -30.522 18.509 -1.934 393 H ARG 54 H ARG 54 -28.659 20.900 -3.390 394 HA ARG 54 HA ARG 54 -30.713 22.945 -2.864 395 HB2 ARG 54 1HB ARG 54 -27.780 23.084 -2.139 396 HB3 ARG 54 2HB ARG 54 -28.936 24.396 -1.951 397 HG2 ARG 54 1HG ARG 54 -29.350 21.743 -0.621 398 HG3 ARG 54 2HG ARG 54 -28.354 23.005 0.107 399 HD2 ARG 54 1HD ARG 54 -31.148 23.564 -0.827 400 HD3 ARG 54 2HD ARG 54 -30.837 22.873 0.765 401 HE ARG 54 HE ARG 54 -29.274 25.209 0.296 402 HH11 ARG 54 1HH1 ARG 54 -32.452 24.100 1.184 403 HH12 ARG 54 2HH1 ARG 54 -32.851 25.538 2.063 404 HH21 ARG 54 1HH2 ARG 54 -29.787 27.108 1.450 405 HH22 ARG 54 2HH2 ARG 54 -31.335 27.249 2.213 406 H ASN 55 H ASN 55 -29.845 25.163 -3.749 407 HA ASN 55 HA ASN 55 -29.908 25.144 -6.473 408 HB2 ASN 55 1HB ASN 55 -28.506 27.380 -6.184 409 HB3 ASN 55 2HB ASN 55 -30.178 27.269 -5.642 410 HD21 ASN 55 2HD2 ASN 55 -30.641 27.383 -3.501 411 HD22 ASN 55 1HD2 ASN 55 -29.461 27.702 -2.280 412 H THR 56 H THR 56 -26.880 25.894 -4.751 413 HA THR 56 HA THR 56 -25.369 23.999 -6.290 414 HB THR 56 HB THR 56 -24.633 26.883 -6.746 415 HG1 THR 56 HG1 THR 56 -25.710 26.731 -8.736 416 HG21 THR 56 3HG2 THR 56 -22.816 25.910 -7.602 417 HG22 THR 56 1HG2 THR 56 -23.847 25.263 -8.878 418 HG23 THR 56 2HG2 THR 56 -23.523 24.303 -7.434 419 H PHE 57 H PHE 57 -23.589 23.405 -5.201 420 HA PHE 57 HA PHE 57 -22.348 25.241 -3.310 421 HB2 PHE 57 1HB PHE 57 -22.850 24.125 -1.401 422 HB3 PHE 57 2HB PHE 57 -24.232 23.558 -2.332 423 HD1 PHE 57 HD1 PHE 57 -23.536 21.439 -3.904 424 HD2 PHE 57 HD2 PHE 57 -21.775 22.522 -0.184 425 HE1 PHE 57 HE1 PHE 57 -22.801 19.113 -3.579 426 HE2 PHE 57 HE2 PHE 57 -21.036 20.198 0.147 427 HZ PHE 57 HZ PHE 57 -21.548 18.491 -1.553 428 HA PRO 58 HA PRO 58 -18.596 23.307 -4.501 429 HB2 PRO 58 1HB PRO 58 -17.177 23.272 -2.186 430 HB3 PRO 58 2HB PRO 58 -17.503 24.755 -3.090 431 HG2 PRO 58 1HG PRO 58 -18.896 23.662 -0.676 432 HG3 PRO 58 2HG PRO 58 -18.407 25.330 -1.027 433 HD2 PRO 58 1HD PRO 58 -20.951 24.459 -1.350 434 HD3 PRO 58 2HD PRO 58 -20.233 25.714 -2.380 435 H GLN 59 H GLN 59 -18.388 21.230 -5.032 436 HA GLN 59 HA GLN 59 -19.122 19.160 -3.107 437 HB2 GLN 59 1HB GLN 59 -19.127 19.400 -6.006 438 HB3 GLN 59 2HB GLN 59 -18.375 17.903 -5.470 439 HG2 GLN 59 1HG GLN 59 -20.415 17.057 -5.331 440 HG3 GLN 59 2HG GLN 59 -20.656 18.089 -3.922 441 HE21 GLN 59 2HE2 GLN 59 -20.772 20.565 -5.123 442 HE22 GLN 59 1HE2 GLN 59 -22.188 20.657 -6.108 443 H ILE 60 H ILE 60 -17.687 17.891 -2.107 444 HA ILE 60 HA ILE 60 -14.860 18.141 -2.897 445 HB ILE 60 HB ILE 60 -16.018 17.492 -0.185 446 HG12 ILE 60 1HG1 ILE 60 -16.252 19.850 -0.759 447 HG13 ILE 60 2HG1 ILE 60 -15.012 19.652 0.474 448 HG21 ILE 60 1HG2 ILE 60 -13.152 17.738 -1.086 449 HG22 ILE 60 2HG2 ILE 60 -13.676 17.618 0.593 450 HG23 ILE 60 3HG2 ILE 60 -13.960 16.277 -0.517 451 HD11 ILE 60 3HD1 ILE 60 -13.677 19.513 -1.978 452 HD12 ILE 60 1HD1 ILE 60 -14.826 20.844 -2.120 453 HD13 ILE 60 2HD1 ILE 60 -13.650 20.830 -0.805 454 H PHE 61 H PHE 61 -14.497 16.436 -4.211 455 HA PHE 61 HA PHE 61 -15.466 13.792 -3.418 456 HB2 PHE 61 1HB PHE 61 -14.058 14.594 -5.970 457 HB3 PHE 61 2HB PHE 61 -14.890 13.075 -5.657 458 HD1 PHE 61 HD1 PHE 61 -17.374 13.955 -4.413 459 HD2 PHE 61 HD2 PHE 61 -15.217 15.618 -7.684 460 HE1 PHE 61 HE1 PHE 61 -19.460 14.916 -5.296 461 HE2 PHE 61 HE2 PHE 61 -17.300 16.582 -8.572 462 HZ PHE 61 HZ PHE 61 -19.425 16.232 -7.377 463 H ILE 62 H ILE 62 -14.183 12.614 -2.172 464 HA ILE 62 HA ILE 62 -11.267 12.839 -2.541 465 HB ILE 62 HB ILE 62 -12.815 12.181 -0.035 466 HG12 ILE 62 1HG1 ILE 62 -10.991 14.484 -0.758 467 HG13 ILE 62 2HG1 ILE 62 -12.737 14.565 -0.554 468 HG21 ILE 62 1HG2 ILE 62 -10.854 10.775 -0.139 469 HG22 ILE 62 2HG2 ILE 62 -9.841 12.165 -0.523 470 HG23 ILE 62 3HG2 ILE 62 -10.607 12.043 1.061 471 HD11 ILE 62 3HD1 ILE 62 -12.233 13.694 1.836 472 HD12 ILE 62 1HD1 ILE 62 -10.602 14.279 1.505 473 HD13 ILE 62 2HD1 ILE 62 -11.968 15.393 1.446 474 H GLY 63 H GLY 63 -10.436 11.124 -3.527 475 HA2 GLY 63 1HA GLY 63 -9.986 8.940 -4.076 476 HA3 GLY 63 2HA GLY 63 -10.772 8.487 -2.570 477 H SER 64 H SER 64 -12.670 7.460 -2.670 478 HA SER 64 HA SER 64 -14.097 7.469 -5.250 479 HB2 SER 64 1HB SER 64 -12.985 5.314 -4.883 480 HB3 SER 64 2HB SER 64 -13.781 5.158 -3.317 481 HG SER 64 HG SER 64 -14.920 5.062 -5.898 482 H VAL 65 H VAL 65 -14.329 8.809 -2.426 483 HA VAL 65 HA VAL 65 -17.218 8.292 -2.143 484 HB VAL 65 HB VAL 65 -15.392 9.136 0.106 485 HG11 VAL 65 1HG1 VAL 65 -17.401 9.716 0.940 486 HG12 VAL 65 2HG1 VAL 65 -18.284 8.700 -0.201 487 HG13 VAL 65 3HG1 VAL 65 -17.561 7.986 1.241 488 HG21 VAL 65 3HG2 VAL 65 -15.713 6.786 0.925 489 HG22 VAL 65 1HG2 VAL 65 -16.363 6.392 -0.666 490 HG23 VAL 65 2HG2 VAL 65 -14.695 6.941 -0.506 491 H HIS 66 H HIS 66 -18.535 10.078 -1.596 492 HA HIS 66 HA HIS 66 -17.398 12.644 -2.440 493 HB2 HIS 66 1HB HIS 66 -19.352 11.910 -3.689 494 HB3 HIS 66 2HB HIS 66 -20.273 11.733 -2.198 495 HD1 HIS 66 HD1 HIS 66 -22.010 13.434 -3.192 496 HD2 HIS 66 HD2 HIS 66 -18.220 14.993 -2.509 497 HE1 HIS 66 HE1 HIS 66 -22.281 15.932 -3.298 498 H VAL 67 H VAL 67 -16.501 13.567 -0.667 499 HA VAL 67 HA VAL 67 -17.346 13.390 1.965 500 HB VAL 67 HB VAL 67 -15.920 15.666 0.585 501 HG11 VAL 67 1HG1 VAL 67 -16.467 15.172 3.501 502 HG12 VAL 67 2HG1 VAL 67 -15.166 16.221 2.936 503 HG13 VAL 67 3HG1 VAL 67 -16.843 16.607 2.547 504 HG21 VAL 67 3HG2 VAL 67 -15.095 13.092 1.774 505 HG22 VAL 67 1HG2 VAL 67 -14.366 14.028 0.468 506 HG23 VAL 67 2HG2 VAL 67 -14.079 14.484 2.148 507 H GLY 68 H GLY 68 -17.635 16.474 0.233 508 HA2 GLY 68 1HA GLY 68 -20.370 16.804 0.222 509 HA3 GLY 68 2HA GLY 68 -19.859 17.278 1.835 510 H GLY 69 H GLY 69 -19.061 19.280 2.148 511 HA2 GLY 69 1HA GLY 69 -17.971 20.799 -0.072 512 HA3 GLY 69 2HA GLY 69 -19.499 21.395 0.558 513 H CYS 70 H CYS 70 -18.568 23.343 1.236 514 HA CYS 70 HA CYS 70 -16.276 23.637 2.778 515 HB2 CYS 70 1HB CYS 70 -17.141 25.819 3.401 516 HB3 CYS 70 2HB CYS 70 -17.504 25.505 1.708 517 HG CYS 70 HG CYS 70 -20.158 24.457 2.811 518 H ASP 71 H ASP 71 -19.502 22.678 3.695 519 HA ASP 71 HA ASP 71 -19.181 23.053 6.499 520 HB2 ASP 71 1HB ASP 71 -21.377 22.851 5.238 521 HB3 ASP 71 2HB ASP 71 -21.075 21.117 5.168 522 H ASP 72 H ASP 72 -19.000 20.189 4.399 523 HA ASP 72 HA ASP 72 -18.286 18.399 6.480 524 HB2 ASP 72 1HB ASP 72 -17.923 18.200 3.484 525 HB3 ASP 72 2HB ASP 72 -17.630 16.877 4.610 526 H LEU 73 H LEU 73 -16.440 20.384 4.241 527 HA LEU 73 HA LEU 73 -13.904 19.250 4.801 528 HB2 LEU 73 1HB LEU 73 -14.751 20.876 2.901 529 HB3 LEU 73 2HB LEU 73 -14.168 22.108 4.017 530 HG LEU 73 HG LEU 73 -11.929 21.108 3.941 531 HD11 LEU 73 1HD1 LEU 73 -13.377 18.974 2.605 532 HD12 LEU 73 2HD1 LEU 73 -11.797 18.955 3.387 533 HD13 LEU 73 3HD1 LEU 73 -11.945 19.487 1.712 534 HD21 LEU 73 3HD2 LEU 73 -12.421 21.367 1.075 535 HD22 LEU 73 1HD2 LEU 73 -11.410 22.336 2.147 536 HD23 LEU 73 2HD2 LEU 73 -13.140 22.662 2.035 537 H TYR 74 H TYR 74 -15.644 22.043 6.111 538 HA TYR 74 HA TYR 74 -13.534 22.821 7.870 539 HB2 TYR 74 1HB TYR 74 -16.382 23.618 7.466 540 HB3 TYR 74 2HB TYR 74 -15.598 24.061 8.979 541 HD1 TYR 74 HD2 TYR 74 -14.072 23.890 5.595 542 HD2 TYR 74 HD1 TYR 74 -15.389 26.388 8.778 543 HE1 TYR 74 HE2 TYR 74 -13.045 25.832 4.488 544 HE2 TYR 74 HE1 TYR 74 -14.367 28.337 7.679 545 HH TYR 74 HH TYR 74 -12.429 28.691 5.990 546 H ALA 75 H ALA 75 -16.325 20.725 8.113 547 HA ALA 75 HA ALA 75 -16.222 20.443 10.959 548 HB1 ALA 75 1HB ALA 75 -17.871 18.701 10.667 549 HB2 ALA 75 2HB ALA 75 -18.282 20.082 9.650 550 HB3 ALA 75 3HB ALA 75 -17.550 18.647 8.933 551 H LEU 76 H LEU 76 -14.825 18.755 8.224 552 HA LEU 76 HA LEU 76 -13.900 16.522 9.779 553 HB2 LEU 76 1HB LEU 76 -13.576 17.447 6.964 554 HB3 LEU 76 2HB LEU 76 -12.457 16.244 7.602 555 HG LEU 76 HG LEU 76 -14.713 15.614 6.311 556 HD11 LEU 76 1HD1 LEU 76 -14.575 13.534 8.055 557 HD12 LEU 76 2HD1 LEU 76 -12.995 14.283 8.275 558 HD13 LEU 76 3HD1 LEU 76 -13.506 13.761 6.670 559 HD21 LEU 76 3HD2 LEU 76 -16.090 16.734 8.064 560 HD22 LEU 76 1HD2 LEU 76 -15.516 15.525 9.214 561 HD23 LEU 76 2HD2 LEU 76 -16.476 15.030 7.819 562 H GLU 77 H GLU 77 -12.370 19.355 8.269 563 HA GLU 77 HA GLU 77 -9.746 18.844 9.054 564 HB2 GLU 77 1HB GLU 77 -9.266 21.080 8.500 565 HB3 GLU 77 2HB GLU 77 -10.611 20.639 7.457 566 HG2 GLU 77 1HG GLU 77 -11.424 22.612 8.153 567 HG3 GLU 77 2HG GLU 77 -11.974 21.652 9.525 568 H ASP 78 H ASP 78 -12.452 20.056 10.861 569 HA ASP 78 HA ASP 78 -11.039 21.244 12.999 570 HB2 ASP 78 1HB ASP 78 -13.611 21.257 12.327 571 HB3 ASP 78 2HB ASP 78 -13.674 19.937 13.492 572 H GLU 79 H GLU 79 -11.727 17.960 12.177 573 HA GLU 79 HA GLU 79 -10.949 17.033 14.846 574 HB2 GLU 79 1HB GLU 79 -11.859 15.307 12.550 575 HB3 GLU 79 2HB GLU 79 -11.840 14.911 14.262 576 HG2 GLU 79 1HG GLU 79 -13.476 17.038 14.305 577 HG3 GLU 79 2HG GLU 79 -13.812 16.425 12.687 578 H GLY 80 H GLY 80 -9.750 17.401 11.652 579 HA2 GLY 80 1HA GLY 80 -7.547 17.171 10.944 580 HA3 GLY 80 2HA GLY 80 -7.167 16.387 12.470 581 H LYS 81 H LYS 81 -9.842 15.264 10.569 582 HA LYS 81 HA LYS 81 -8.472 12.722 10.185 583 HB2 LYS 81 1HB LYS 81 -11.339 13.447 9.562 584 HB3 LYS 81 2HB LYS 81 -10.655 11.828 9.625 585 HG2 LYS 81 1HG LYS 81 -10.821 13.697 11.979 586 HG3 LYS 81 2HG LYS 81 -11.996 12.430 11.616 587 HD2 LYS 81 1HD LYS 81 -10.587 10.757 12.242 588 HD3 LYS 81 2HD LYS 81 -9.144 11.632 11.725 589 HE2 LYS 81 1HE LYS 81 -8.847 11.779 13.973 590 HE3 LYS 81 2HE LYS 81 -9.855 13.208 13.745 591 HZ1 LYS 81 3HZ LYS 81 -10.831 10.525 14.567 592 HZ2 LYS 81 1HZ LYS 81 -11.789 11.905 14.363 593 HZ3 LYS 81 2HZ LYS 81 -10.629 11.856 15.592 594 H LEU 82 H LEU 82 -9.291 15.526 8.413 595 HA LEU 82 HA LEU 82 -9.704 14.619 5.843 596 HB2 LEU 82 1HB LEU 82 -8.585 17.065 7.052 597 HB3 LEU 82 2HB LEU 82 -8.183 16.791 5.358 598 HG LEU 82 HG LEU 82 -10.969 16.989 6.502 599 HD11 LEU 82 1HD1 LEU 82 -9.794 18.917 4.558 600 HD12 LEU 82 2HD1 LEU 82 -9.401 19.073 6.270 601 HD13 LEU 82 3HD1 LEU 82 -11.082 19.149 5.741 602 HD21 LEU 82 3HD2 LEU 82 -11.025 15.518 4.635 603 HD22 LEU 82 1HD2 LEU 82 -9.953 16.561 3.700 604 HD23 LEU 82 2HD2 LEU 82 -11.594 17.090 4.072 605 H ASP 83 H ASP 83 -6.723 14.782 7.669 606 HA ASP 83 HA ASP 83 -4.885 14.452 5.586 607 HB2 ASP 83 1HB ASP 83 -4.606 14.847 8.207 608 HB3 ASP 83 2HB ASP 83 -4.361 13.102 8.189 609 H SER 84 H SER 84 -6.577 12.036 7.559 610 HA SER 84 HA SER 84 -5.390 9.824 6.162 611 HB2 SER 84 1HB SER 84 -7.749 9.899 8.061 612 HB3 SER 84 2HB SER 84 -6.928 8.441 7.504 613 HG SER 84 HG SER 84 -6.314 9.573 9.628 614 H LEU 85 H LEU 85 -8.264 11.751 5.849 615 HA LEU 85 HA LEU 85 -9.789 9.967 4.271 616 HB2 LEU 85 1HB LEU 85 -9.856 12.846 4.932 617 HB3 LEU 85 2HB LEU 85 -10.681 12.365 3.451 618 HG LEU 85 HG LEU 85 -12.243 12.482 5.300 619 HD11 LEU 85 1HD1 LEU 85 -12.368 9.650 5.227 620 HD12 LEU 85 2HD1 LEU 85 -11.804 10.215 3.655 621 HD13 LEU 85 3HD1 LEU 85 -13.323 10.819 4.316 622 HD21 LEU 85 3HD2 LEU 85 -10.296 10.617 6.618 623 HD22 LEU 85 1HD2 LEU 85 -11.984 10.706 7.120 624 HD23 LEU 85 2HD2 LEU 85 -10.957 12.136 7.224 625 H LEU 86 H LEU 86 -7.471 12.514 3.459 626 HA LEU 86 HA LEU 86 -7.794 12.085 0.619 627 HB2 LEU 86 1HB LEU 86 -5.994 13.750 0.405 628 HB3 LEU 86 2HB LEU 86 -7.344 14.317 1.385 629 HG LEU 86 HG LEU 86 -5.753 13.431 3.341 630 HD11 LEU 86 1HD1 LEU 86 -3.929 14.118 1.053 631 HD12 LEU 86 2HD1 LEU 86 -3.937 12.661 2.046 632 HD13 LEU 86 3HD1 LEU 86 -3.422 14.198 2.740 633 HD21 LEU 86 3HD2 LEU 86 -5.251 15.672 3.792 634 HD22 LEU 86 1HD2 LEU 86 -6.748 15.736 2.862 635 HD23 LEU 86 2HD2 LEU 86 -5.209 16.101 2.081 636 H LYS 87 H LYS 87 -5.755 10.947 3.167 637 HA LYS 87 HA LYS 87 -3.636 10.018 1.464 638 HB2 LYS 87 1HB LYS 87 -4.295 9.856 4.359 639 HB3 LYS 87 2HB LYS 87 -3.222 8.624 3.709 640 HG2 LYS 87 1HG LYS 87 -1.580 10.174 3.146 641 HG3 LYS 87 2HG LYS 87 -2.705 11.532 3.222 642 HD2 LYS 87 1HD LYS 87 -2.580 11.685 5.495 643 HD3 LYS 87 2HD LYS 87 -2.277 9.958 5.703 644 HE2 LYS 87 1HE LYS 87 -0.271 11.063 6.295 645 HE3 LYS 87 2HE LYS 87 0.003 10.362 4.701 646 HZ1 LYS 87 3HZ LYS 87 0.814 12.672 4.936 647 HZ2 LYS 87 1HZ LYS 87 -0.783 13.187 5.159 648 HZ3 LYS 87 2HZ LYS 87 -0.317 12.485 3.692 649 H THR 88 H THR 88 -6.313 8.479 3.224 650 HA THR 88 HA THR 88 -5.760 5.928 1.942 651 HB THR 88 HB THR 88 -7.404 4.973 3.372 652 HG1 THR 88 HG1 THR 88 -8.790 6.315 4.635 653 HG21 THR 88 3HG2 THR 88 -5.902 7.127 4.863 654 HG22 THR 88 1HG2 THR 88 -5.337 5.493 4.521 655 HG23 THR 88 2HG2 THR 88 -6.694 5.745 5.618 656 H GLY 89 H GLY 89 -8.222 8.461 1.911 657 HA2 GLY 89 1HA GLY 89 -9.532 9.038 0.048 658 HA3 GLY 89 2HA GLY 89 -9.120 7.498 -0.691 659 H LYS 90 H LYS 90 -10.127 7.354 2.575 660 HA LYS 90 HA LYS 90 -12.929 6.954 1.919 661 HB2 LYS 90 1HB LYS 90 -11.174 4.744 2.998 662 HB3 LYS 90 2HB LYS 90 -12.932 4.697 3.017 663 HG2 LYS 90 1HG LYS 90 -12.569 3.547 1.101 664 HG3 LYS 90 2HG LYS 90 -12.597 5.180 0.432 665 HD2 LYS 90 1HD LYS 90 -10.656 4.447 -0.507 666 HD3 LYS 90 2HD LYS 90 -10.007 5.046 1.021 667 HE2 LYS 90 1HE LYS 90 -10.523 2.609 1.837 668 HE3 LYS 90 2HE LYS 90 -10.461 2.239 0.114 669 HZ1 LYS 90 3HZ LYS 90 -8.272 2.130 0.338 670 HZ2 LYS 90 1HZ LYS 90 -8.325 2.728 1.920 671 HZ3 LYS 90 2HZ LYS 90 -8.251 3.799 0.613 672 H LEU 91 H LEU 91 -14.230 6.494 3.908 673 HA LEU 91 HA LEU 91 -13.051 7.914 6.200 674 HB2 LEU 91 1HB LEU 91 -15.439 8.344 6.839 675 HB3 LEU 91 2HB LEU 91 -14.887 9.142 5.368 676 HG LEU 91 HG LEU 91 -16.319 6.540 5.126 677 HD11 LEU 91 1HD1 LEU 91 -18.393 8.186 4.902 678 HD12 LEU 91 2HD1 LEU 91 -17.484 9.074 6.125 679 HD13 LEU 91 3HD1 LEU 91 -17.966 7.404 6.424 680 HD21 LEU 91 3HD2 LEU 91 -15.250 8.257 3.327 681 HD22 LEU 91 1HD2 LEU 91 -16.912 8.843 3.398 682 HD23 LEU 91 2HD2 LEU 91 -16.588 7.161 2.981 683 H ILE 92 H ILE 92 -13.177 7.062 8.240 684 HA ILE 92 HA ILE 92 -13.934 4.233 8.383 685 HB ILE 92 HB ILE 92 -12.323 5.839 10.368 686 HG12 ILE 92 1HG1 ILE 92 -11.351 3.894 8.264 687 HG13 ILE 92 2HG1 ILE 92 -11.228 5.645 8.139 688 HG21 ILE 92 1HG2 ILE 92 -11.712 3.696 11.308 689 HG22 ILE 92 2HG2 ILE 92 -13.468 3.857 11.281 690 HG23 ILE 92 3HG2 ILE 92 -12.656 2.856 10.077 691 HD11 ILE 92 3HD1 ILE 92 -10.069 5.099 10.573 692 HD12 ILE 92 1HD1 ILE 92 -9.550 3.757 9.555 693 HD13 ILE 92 2HD1 ILE 92 -9.223 5.418 9.059 Start of MODEL 10 1 H1 GLY 1 H GLY 1 2.849 2.731 1.765 2 HA2 GLY 1 1HA GLY 1 4.198 0.796 0.378 3 HA3 GLY 1 2HA GLY 1 2.550 0.680 -0.220 4 HA PRO 2 HA PRO 2 4.834 3.813 -2.774 5 HB2 PRO 2 1HB PRO 2 4.026 2.810 -5.163 6 HB3 PRO 2 2HB PRO 2 5.463 2.228 -4.314 7 HG2 PRO 2 1HG PRO 2 2.714 1.047 -4.414 8 HG3 PRO 2 2HG PRO 2 4.286 0.234 -4.531 9 HD2 PRO 2 1HD PRO 2 2.833 0.275 -2.246 10 HD3 PRO 2 2HD PRO 2 4.609 0.257 -2.249 11 H GLY 3 H GLY 3 3.909 5.684 -3.392 12 HA2 GLY 3 1HA GLY 3 2.299 7.126 -4.254 13 HA3 GLY 3 2HA GLY 3 1.221 5.754 -4.464 14 H SER 4 H SER 4 0.053 4.971 -2.611 15 HA SER 4 HA SER 4 -1.306 5.274 -0.811 16 HB2 SER 4 1HB SER 4 1.144 5.516 0.178 17 HB3 SER 4 2HB SER 4 0.620 7.177 0.452 18 HG SER 4 HG SER 4 -0.264 4.810 1.621 19 H MET 5 H MET 5 -1.718 6.972 -3.024 20 HA MET 5 HA MET 5 -2.932 9.270 -1.660 21 HB2 MET 5 1HB MET 5 -0.729 9.725 -3.029 22 HB3 MET 5 2HB MET 5 -1.814 9.638 -4.410 23 HG2 MET 5 1HG MET 5 -1.720 11.900 -3.898 24 HG3 MET 5 2HG MET 5 -3.235 11.359 -3.180 25 HE1 MET 5 3HE MET 5 0.525 12.632 -2.256 26 HE2 MET 5 1HE MET 5 -0.759 13.657 -2.897 27 HE3 MET 5 2HE MET 5 -0.244 13.834 -1.220 28 H VAL 6 H VAL 6 -4.767 10.180 -2.776 29 HA VAL 6 HA VAL 6 -5.958 8.400 -4.794 30 HB VAL 6 HB VAL 6 -8.181 8.781 -3.709 31 HG11 VAL 6 1HG1 VAL 6 -6.321 6.864 -3.227 32 HG12 VAL 6 2HG1 VAL 6 -6.653 7.439 -1.591 33 HG13 VAL 6 3HG1 VAL 6 -7.969 6.838 -2.600 34 HG21 VAL 6 3HG2 VAL 6 -8.447 10.046 -1.884 35 HG22 VAL 6 1HG2 VAL 6 -7.038 9.344 -1.089 36 HG23 VAL 6 2HG2 VAL 6 -6.836 10.672 -2.231 37 H ASP 7 H ASP 7 -7.213 9.378 -6.351 38 HA ASP 7 HA ASP 7 -6.670 12.094 -6.926 39 HB2 ASP 7 1HB ASP 7 -7.050 10.583 -8.749 40 HB3 ASP 7 2HB ASP 7 -8.634 10.135 -8.122 41 H VAL 8 H VAL 8 -7.701 13.902 -6.366 42 HA VAL 8 HA VAL 8 -10.345 13.648 -5.086 43 HB VAL 8 HB VAL 8 -8.221 15.726 -4.535 44 HG11 VAL 8 1HG1 VAL 8 -10.931 15.272 -3.294 45 HG12 VAL 8 2HG1 VAL 8 -9.712 16.390 -2.677 46 HG13 VAL 8 3HG1 VAL 8 -10.432 16.655 -4.266 47 HG21 VAL 8 3HG2 VAL 8 -8.695 14.394 -2.191 48 HG22 VAL 8 1HG2 VAL 8 -8.781 13.099 -3.385 49 HG23 VAL 8 2HG2 VAL 8 -7.334 14.100 -3.273 50 H ILE 9 H ILE 9 -11.962 14.565 -6.149 51 HA ILE 9 HA ILE 9 -11.345 16.718 -8.064 52 HB ILE 9 HB ILE 9 -13.778 14.938 -8.133 53 HG12 ILE 9 1HG1 ILE 9 -11.196 14.656 -9.688 54 HG13 ILE 9 2HG1 ILE 9 -11.742 13.579 -8.407 55 HG21 ILE 9 1HG2 ILE 9 -13.830 17.181 -9.264 56 HG22 ILE 9 2HG2 ILE 9 -12.550 16.595 -10.325 57 HG23 ILE 9 3HG2 ILE 9 -14.124 15.800 -10.321 58 HD11 ILE 9 3HD1 ILE 9 -12.747 13.877 -11.193 59 HD12 ILE 9 1HD1 ILE 9 -12.345 12.418 -10.288 60 HD13 ILE 9 2HD1 ILE 9 -13.834 13.295 -9.932 61 H ILE 10 H ILE 10 -12.237 18.659 -7.764 62 HA ILE 10 HA ILE 10 -14.403 18.893 -5.778 63 HB ILE 10 HB ILE 10 -12.383 19.891 -4.902 64 HG12 ILE 10 1HG1 ILE 10 -13.877 22.318 -5.766 65 HG13 ILE 10 2HG1 ILE 10 -14.777 21.075 -4.905 66 HG21 ILE 10 1HG2 ILE 10 -11.309 21.800 -6.057 67 HG22 ILE 10 2HG2 ILE 10 -11.168 20.282 -6.943 68 HG23 ILE 10 3HG2 ILE 10 -12.342 21.495 -7.453 69 HD11 ILE 10 3HD1 ILE 10 -13.664 23.028 -3.607 70 HD12 ILE 10 1HD1 ILE 10 -13.605 21.390 -2.958 71 HD13 ILE 10 2HD1 ILE 10 -12.199 22.062 -3.785 72 H TYR 11 H TYR 11 -16.208 19.966 -6.344 73 HA TYR 11 HA TYR 11 -16.254 21.208 -9.015 74 HB2 TYR 11 1HB TYR 11 -17.989 19.267 -7.745 75 HB3 TYR 11 2HB TYR 11 -18.897 20.685 -8.258 76 HD1 TYR 11 HD1 TYR 11 -16.162 18.534 -9.643 77 HD2 TYR 11 HD2 TYR 11 -19.852 20.532 -10.342 78 HE1 TYR 11 HE1 TYR 11 -16.180 17.680 -11.949 79 HE2 TYR 11 HE2 TYR 11 -19.881 19.683 -12.650 80 HH TYR 11 HH TYR 11 -17.244 17.650 -13.893 81 H THR 12 H THR 12 -16.446 23.337 -9.012 82 HA THR 12 HA THR 12 -18.236 24.641 -7.121 83 HB THR 12 HB THR 12 -16.281 24.878 -5.838 84 HG1 THR 12 HG1 THR 12 -17.423 26.909 -6.473 85 HG21 THR 12 3HG2 THR 12 -14.277 26.049 -7.282 86 HG22 THR 12 1HG2 THR 12 -14.957 24.920 -8.453 87 HG23 THR 12 2HG2 THR 12 -14.373 24.331 -6.897 88 H ARG 13 H ARG 13 -18.873 26.755 -7.759 89 HA ARG 13 HA ARG 13 -18.471 27.246 -10.627 90 HB2 ARG 13 1HB ARG 13 -20.541 28.629 -10.443 91 HB3 ARG 13 2HB ARG 13 -20.784 26.930 -10.061 92 HG2 ARG 13 1HG ARG 13 -21.730 27.551 -8.161 93 HG3 ARG 13 2HG ARG 13 -20.166 28.174 -7.631 94 HD2 ARG 13 1HD ARG 13 -20.717 30.333 -8.089 95 HD3 ARG 13 2HD ARG 13 -21.760 29.892 -9.440 96 HE ARG 13 HE ARG 13 -22.520 30.172 -6.672 97 HH11 ARG 13 1HH1 ARG 13 -23.337 28.816 -9.773 98 HH12 ARG 13 2HH1 ARG 13 -25.026 28.681 -9.415 99 HH21 ARG 13 1HH2 ARG 13 -24.742 29.998 -6.188 100 HH22 ARG 13 2HH2 ARG 13 -25.825 29.354 -7.376 101 HA PRO 14 HA PRO 14 -16.321 31.013 -9.964 102 HB2 PRO 14 1HB PRO 14 -17.271 32.558 -11.984 103 HB3 PRO 14 2HB PRO 14 -16.168 31.202 -12.249 104 HG2 PRO 14 1HG PRO 14 -19.142 31.315 -12.569 105 HG3 PRO 14 2HG PRO 14 -17.931 30.565 -13.626 106 HD2 PRO 14 1HD PRO 14 -19.422 29.135 -11.876 107 HD3 PRO 14 2HD PRO 14 -17.760 28.684 -12.305 108 H GLY 15 H GLY 15 -16.699 32.333 -8.299 109 HA2 GLY 15 1HA GLY 15 -17.650 34.426 -7.563 110 HA3 GLY 15 2HA GLY 15 -19.150 33.970 -8.357 111 H CYS 16 H CYS 16 -17.993 31.259 -6.881 112 HA CYS 16 HA CYS 16 -19.926 31.506 -4.732 113 HB2 CYS 16 1HB CYS 16 -19.730 29.439 -6.135 114 HB3 CYS 16 2HB CYS 16 -18.150 29.156 -5.414 115 HA PRO 17 HA PRO 17 -16.666 32.838 -1.964 116 HB2 PRO 17 1HB PRO 17 -18.310 33.273 0.152 117 HB3 PRO 17 2HB PRO 17 -18.154 34.410 -1.193 118 HG2 PRO 17 1HG PRO 17 -20.268 32.351 -0.687 119 HG3 PRO 17 2HG PRO 17 -20.446 34.023 -1.253 120 HD2 PRO 17 1HD PRO 17 -20.537 31.900 -2.931 121 HD3 PRO 17 2HD PRO 17 -19.895 33.480 -3.424 122 H TYR 18 H TYR 18 -19.286 30.736 -0.748 123 HA TYR 18 HA TYR 18 -17.825 29.556 1.321 124 HB2 TYR 18 1HB TYR 18 -20.022 28.194 -0.238 125 HB3 TYR 18 2HB TYR 18 -19.566 27.918 1.439 126 HD1 TYR 18 HD2 TYR 18 -19.503 30.410 2.732 127 HD2 TYR 18 HD1 TYR 18 -22.088 29.188 -0.418 128 HE1 TYR 18 HE2 TYR 18 -21.166 32.069 3.461 129 HE2 TYR 18 HE1 TYR 18 -23.758 30.845 0.301 130 HH TYR 18 HH TYR 18 -23.911 32.877 1.559 131 H CYS 19 H CYS 19 -17.959 28.845 -2.093 132 HA CYS 19 HA CYS 19 -16.719 26.282 -1.940 133 HB2 CYS 19 1HB CYS 19 -16.834 28.182 -4.291 134 HB3 CYS 19 2HB CYS 19 -16.495 26.456 -4.356 135 H ALA 20 H ALA 20 -15.517 29.509 -2.848 136 HA ALA 20 HA ALA 20 -12.881 28.881 -3.366 137 HB1 ALA 20 1HB ALA 20 -13.402 31.056 -3.884 138 HB2 ALA 20 2HB ALA 20 -14.240 31.335 -2.357 139 HB3 ALA 20 3HB ALA 20 -12.478 31.280 -2.399 140 H ARG 21 H ARG 21 -14.351 29.705 -0.236 141 HA ARG 21 HA ARG 21 -12.071 29.673 1.339 142 HB2 ARG 21 1HB ARG 21 -14.906 29.637 1.756 143 HB3 ARG 21 2HB ARG 21 -14.152 28.491 2.856 144 HG2 ARG 21 1HG ARG 21 -13.754 30.215 4.193 145 HG3 ARG 21 2HG ARG 21 -12.537 30.730 3.022 146 HD2 ARG 21 1HD ARG 21 -14.667 31.772 1.835 147 HD3 ARG 21 2HD ARG 21 -15.291 31.746 3.484 148 HE ARG 21 HE ARG 21 -12.750 32.882 3.561 149 HH11 ARG 21 1HH1 ARG 21 -15.892 33.580 2.235 150 HH12 ARG 21 2HH1 ARG 21 -15.684 35.298 2.304 151 HH21 ARG 21 1HH2 ARG 21 -12.463 35.143 3.658 152 HH22 ARG 21 2HH2 ARG 21 -13.733 36.186 3.113 153 H ALA 22 H ALA 22 -14.218 26.970 0.496 154 HA ALA 22 HA ALA 22 -12.913 24.986 1.977 155 HB1 ALA 22 1HB ALA 22 -14.974 25.109 -0.029 156 HB2 ALA 22 2HB ALA 22 -13.915 23.726 -0.305 157 HB3 ALA 22 3HB ALA 22 -14.723 23.922 1.251 158 H LYS 23 H LYS 23 -12.492 25.943 -1.424 159 HA LYS 23 HA LYS 23 -10.552 24.085 -2.136 160 HB2 LYS 23 1HB LYS 23 -10.791 26.944 -3.095 161 HB3 LYS 23 2HB LYS 23 -9.924 25.651 -3.915 162 HG2 LYS 23 1HG LYS 23 -12.463 24.619 -3.574 163 HG3 LYS 23 2HG LYS 23 -12.743 26.319 -3.959 164 HD2 LYS 23 1HD LYS 23 -11.056 24.399 -5.564 165 HD3 LYS 23 2HD LYS 23 -12.684 24.939 -5.980 166 HE2 LYS 23 1HE LYS 23 -11.279 27.289 -5.553 167 HE3 LYS 23 2HE LYS 23 -10.126 26.249 -6.388 168 HZ1 LYS 23 3HZ LYS 23 -12.407 25.874 -7.790 169 HZ2 LYS 23 1HZ LYS 23 -11.160 26.930 -8.226 170 HZ3 LYS 23 2HZ LYS 23 -12.507 27.514 -7.386 171 H ALA 24 H ALA 24 -10.116 27.357 -0.810 172 HA ALA 24 HA ALA 24 -7.314 27.351 -0.775 173 HB1 ALA 24 1HB ALA 24 -7.487 29.363 0.234 174 HB2 ALA 24 2HB ALA 24 -9.180 29.205 -0.234 175 HB3 ALA 24 3HB ALA 24 -8.677 28.797 1.406 176 H LEU 25 H LEU 25 -9.669 26.298 1.650 177 HA LEU 25 HA LEU 25 -7.903 25.791 3.751 178 HB2 LEU 25 1HB LEU 25 -10.271 25.806 4.113 179 HB3 LEU 25 2HB LEU 25 -10.497 24.460 2.998 180 HG LEU 25 HG LEU 25 -9.277 22.999 4.586 181 HD11 LEU 25 1HD1 LEU 25 -9.438 24.304 6.992 182 HD12 LEU 25 2HD1 LEU 25 -8.841 25.560 5.908 183 HD13 LEU 25 3HD1 LEU 25 -7.964 24.039 6.061 184 HD21 LEU 25 3HD2 LEU 25 -11.209 22.480 5.594 185 HD22 LEU 25 1HD2 LEU 25 -11.884 23.801 4.641 186 HD23 LEU 25 2HD2 LEU 25 -11.381 24.084 6.308 187 H LEU 26 H LEU 26 -9.140 23.539 1.282 188 HA LEU 26 HA LEU 26 -7.680 21.300 2.094 189 HB2 LEU 26 1HB LEU 26 -9.136 22.144 -0.313 190 HB3 LEU 26 2HB LEU 26 -7.875 20.945 -0.595 191 HG LEU 26 HG LEU 26 -10.052 20.563 1.448 192 HD11 LEU 26 1HD1 LEU 26 -10.018 19.762 -1.456 193 HD12 LEU 26 2HD1 LEU 26 -11.163 20.842 -0.661 194 HD13 LEU 26 3HD1 LEU 26 -11.142 19.126 -0.254 195 HD21 LEU 26 3HD2 LEU 26 -9.312 18.398 1.622 196 HD22 LEU 26 1HD2 LEU 26 -7.790 19.242 1.335 197 HD23 LEU 26 2HD2 LEU 26 -8.592 18.396 0.011 198 H ALA 27 H ALA 27 -6.921 23.652 -0.475 199 HA ALA 27 HA ALA 27 -4.440 22.605 -1.202 200 HB1 ALA 27 1HB ALA 27 -4.653 24.210 -2.716 201 HB2 ALA 27 2HB ALA 27 -5.973 24.930 -1.793 202 HB3 ALA 27 3HB ALA 27 -4.308 25.416 -1.475 203 H ARG 28 H ARG 28 -5.335 24.771 1.413 204 HA ARG 28 HA ARG 28 -2.835 25.737 2.142 205 HB2 ARG 28 1HB ARG 28 -5.052 26.446 3.087 206 HB3 ARG 28 2HB ARG 28 -5.043 24.979 4.057 207 HG2 ARG 28 1HG ARG 28 -2.960 25.726 5.131 208 HG3 ARG 28 2HG ARG 28 -3.037 27.219 4.193 209 HD2 ARG 28 1HD ARG 28 -5.256 26.312 6.011 210 HD3 ARG 28 2HD ARG 28 -3.927 27.332 6.560 211 HE ARG 28 HE ARG 28 -6.173 28.130 4.972 212 HH11 ARG 28 1HH1 ARG 28 -2.842 28.811 5.721 213 HH12 ARG 28 2HH1 ARG 28 -2.943 30.478 5.262 214 HH21 ARG 28 1HH2 ARG 28 -6.319 30.324 4.365 215 HH22 ARG 28 2HH2 ARG 28 -4.922 31.338 4.491 216 H LYS 29 H LYS 29 -4.386 22.667 2.908 217 HA LYS 29 HA LYS 29 -2.388 21.807 4.754 218 HB2 LYS 29 1HB LYS 29 -4.206 19.977 3.203 219 HB3 LYS 29 2HB LYS 29 -3.533 19.742 4.811 220 HG2 LYS 29 1HG LYS 29 -4.944 21.561 5.656 221 HG3 LYS 29 2HG LYS 29 -5.636 21.759 4.044 222 HD2 LYS 29 1HD LYS 29 -5.797 19.279 5.758 223 HD3 LYS 29 2HD LYS 29 -7.105 20.429 5.465 224 HE2 LYS 29 1HE LYS 29 -6.570 19.872 2.946 225 HE3 LYS 29 2HE LYS 29 -5.910 18.394 3.646 226 HZ1 LYS 29 3HZ LYS 29 -8.681 19.316 3.520 227 HZ2 LYS 29 1HZ LYS 29 -8.216 18.434 4.886 228 HZ3 LYS 29 2HZ LYS 29 -8.052 17.755 3.346 229 H GLY 30 H GLY 30 -2.539 21.981 1.354 230 HA2 GLY 30 1HA GLY 30 -0.619 21.650 -0.004 231 HA3 GLY 30 2HA GLY 30 -0.011 20.504 1.182 232 H ALA 31 H ALA 31 -3.318 20.212 0.305 233 HA ALA 31 HA ALA 31 -2.695 17.727 -1.116 234 HB1 ALA 31 1HB ALA 31 -5.178 18.729 0.247 235 HB2 ALA 31 2HB ALA 31 -5.180 17.306 -0.796 236 HB3 ALA 31 3HB ALA 31 -4.186 17.331 0.660 237 H GLU 32 H GLU 32 -2.677 17.774 -3.259 238 HA GLU 32 HA GLU 32 -3.884 19.941 -4.723 239 HB2 GLU 32 1HB GLU 32 -2.134 17.622 -5.379 240 HB3 GLU 32 2HB GLU 32 -3.083 18.324 -6.683 241 HG2 GLU 32 1HG GLU 32 -2.093 20.521 -6.189 242 HG3 GLU 32 2HG GLU 32 -1.102 19.772 -4.939 243 H PHE 33 H PHE 33 -5.726 19.927 -5.888 244 HA PHE 33 HA PHE 33 -7.143 17.394 -6.280 245 HB2 PHE 33 1HB PHE 33 -9.282 18.568 -5.587 246 HB3 PHE 33 2HB PHE 33 -8.164 18.185 -4.282 247 HD1 PHE 33 HD2 PHE 33 -9.226 20.935 -6.537 248 HD2 PHE 33 HD1 PHE 33 -7.425 19.847 -2.837 249 HE1 PHE 33 HE2 PHE 33 -9.240 23.295 -5.840 250 HE2 PHE 33 HE1 PHE 33 -7.437 22.205 -2.134 251 HZ PHE 33 HZ PHE 33 -8.345 23.933 -3.637 252 H ASN 34 H ASN 34 -8.628 17.391 -8.005 253 HA ASN 34 HA ASN 34 -7.940 19.180 -10.135 254 HB2 ASN 34 1HB ASN 34 -9.388 16.665 -9.834 255 HB3 ASN 34 2HB ASN 34 -10.164 17.754 -10.981 256 HD21 ASN 34 2HD2 ASN 34 -9.650 16.352 -12.679 257 HD22 ASN 34 1HD2 ASN 34 -8.048 16.256 -13.320 258 H GLU 35 H GLU 35 -8.774 21.135 -10.393 259 HA GLU 35 HA GLU 35 -11.257 21.866 -9.088 260 HB2 GLU 35 1HB GLU 35 -9.344 23.403 -9.022 261 HB3 GLU 35 2HB GLU 35 -9.363 23.509 -10.777 262 HG2 GLU 35 1HG GLU 35 -11.802 24.322 -10.446 263 HG3 GLU 35 2HG GLU 35 -11.281 24.646 -8.794 264 H ILE 36 H ILE 36 -13.134 21.487 -10.048 265 HA ILE 36 HA ILE 36 -13.337 21.921 -12.953 266 HB ILE 36 HB ILE 36 -14.865 19.800 -11.448 267 HG12 ILE 36 1HG1 ILE 36 -12.441 19.485 -13.233 268 HG13 ILE 36 2HG1 ILE 36 -12.457 19.272 -11.486 269 HG21 ILE 36 1HG2 ILE 36 -14.563 20.424 -14.381 270 HG22 ILE 36 2HG2 ILE 36 -15.343 18.977 -13.744 271 HG23 ILE 36 3HG2 ILE 36 -16.025 20.567 -13.404 272 HD11 ILE 36 3HD1 ILE 36 -12.538 17.114 -12.363 273 HD12 ILE 36 1HD1 ILE 36 -14.200 17.465 -11.892 274 HD13 ILE 36 2HD1 ILE 36 -13.725 17.559 -13.588 275 H ASP 37 H ASP 37 -15.329 22.713 -13.718 276 HA ASP 37 HA ASP 37 -16.990 23.962 -11.631 277 HB2 ASP 37 1HB ASP 37 -16.288 24.855 -14.424 278 HB3 ASP 37 2HB ASP 37 -17.631 25.557 -13.527 279 H ALA 38 H ALA 38 -19.249 23.994 -11.884 280 HA ALA 38 HA ALA 38 -20.268 21.864 -13.638 281 HB1 ALA 38 1HB ALA 38 -20.637 22.340 -10.899 282 HB2 ALA 38 2HB ALA 38 -22.177 22.716 -11.674 283 HB3 ALA 38 3HB ALA 38 -21.439 21.130 -11.901 284 H SER 39 H SER 39 -20.624 25.223 -12.749 285 HA SER 39 HA SER 39 -23.083 25.799 -13.926 286 HB2 SER 39 1HB SER 39 -22.504 28.060 -13.739 287 HB3 SER 39 2HB SER 39 -21.520 27.297 -12.490 288 HG SER 39 HG SER 39 -19.877 27.187 -14.278 289 H ALA 40 H ALA 40 -20.051 25.053 -15.365 290 HA ALA 40 HA ALA 40 -20.132 26.333 -17.803 291 HB1 ALA 40 1HB ALA 40 -18.418 24.638 -16.762 292 HB2 ALA 40 2HB ALA 40 -19.309 23.471 -17.740 293 HB3 ALA 40 3HB ALA 40 -18.530 24.854 -18.509 294 H THR 41 H THR 41 -21.799 23.370 -16.824 295 HA THR 41 HA THR 41 -23.597 23.699 -19.114 296 HB THR 41 HB THR 41 -23.502 20.993 -19.002 297 HG1 THR 41 HG1 THR 41 -20.968 21.990 -18.238 298 HG21 THR 41 3HG2 THR 41 -23.337 22.512 -20.991 299 HG22 THR 41 1HG2 THR 41 -22.320 21.074 -21.082 300 HG23 THR 41 2HG2 THR 41 -21.606 22.635 -20.678 301 HA PRO 42 HA PRO 42 -26.795 22.875 -16.219 302 HB2 PRO 42 1HB PRO 42 -28.657 21.714 -17.818 303 HB3 PRO 42 2HB PRO 42 -28.278 23.440 -17.881 304 HG2 PRO 42 1HG PRO 42 -27.330 21.226 -19.660 305 HG3 PRO 42 2HG PRO 42 -27.877 22.856 -20.096 306 HD2 PRO 42 1HD PRO 42 -25.256 22.187 -19.955 307 HD3 PRO 42 2HD PRO 42 -25.849 23.815 -19.564 308 H GLU 43 H GLU 43 -25.997 20.164 -18.376 309 HA GLU 43 HA GLU 43 -27.136 18.157 -16.731 310 HB2 GLU 43 1HB GLU 43 -25.030 18.006 -18.891 311 HB3 GLU 43 2HB GLU 43 -25.739 16.597 -18.115 312 HG2 GLU 43 1HG GLU 43 -27.839 16.987 -19.055 313 HG3 GLU 43 2HG GLU 43 -27.443 18.653 -19.471 314 H LEU 44 H LEU 44 -23.979 19.666 -16.872 315 HA LEU 44 HA LEU 44 -22.707 17.776 -15.134 316 HB2 LEU 44 1HB LEU 44 -21.987 20.338 -16.428 317 HB3 LEU 44 2HB LEU 44 -21.101 19.910 -14.967 318 HG LEU 44 HG LEU 44 -21.261 18.257 -17.487 319 HD11 LEU 44 1HD1 LEU 44 -19.807 20.506 -17.146 320 HD12 LEU 44 2HD1 LEU 44 -19.307 19.148 -18.153 321 HD13 LEU 44 3HD1 LEU 44 -18.691 19.299 -16.508 322 HD21 LEU 44 3HD2 LEU 44 -20.435 16.543 -16.343 323 HD22 LEU 44 1HD2 LEU 44 -20.749 17.445 -14.860 324 HD23 LEU 44 2HD2 LEU 44 -19.171 17.553 -15.640 325 H ARG 45 H ARG 45 -24.500 20.733 -14.733 326 HA ARG 45 HA ARG 45 -23.704 21.086 -11.977 327 HB2 ARG 45 1HB ARG 45 -24.183 23.051 -13.334 328 HB3 ARG 45 2HB ARG 45 -25.815 22.471 -13.638 329 HG2 ARG 45 1HG ARG 45 -26.382 22.728 -11.304 330 HG3 ARG 45 2HG ARG 45 -24.725 23.205 -10.930 331 HD2 ARG 45 1HD ARG 45 -25.766 25.253 -11.082 332 HD3 ARG 45 2HD ARG 45 -25.153 25.050 -12.722 333 HE ARG 45 HE ARG 45 -27.645 24.002 -12.854 334 HH11 ARG 45 1HH1 ARG 45 -26.375 27.040 -11.724 335 HH12 ARG 45 2HH1 ARG 45 -27.804 27.935 -12.122 336 HH21 ARG 45 1HH2 ARG 45 -29.532 25.169 -13.384 337 HH22 ARG 45 2HH2 ARG 45 -29.600 26.869 -13.066 338 H ALA 46 H ALA 46 -26.651 20.134 -13.718 339 HA ALA 46 HA ALA 46 -28.366 19.783 -11.583 340 HB1 ALA 46 1HB ALA 46 -29.512 19.491 -13.508 341 HB2 ALA 46 2HB ALA 46 -28.172 18.669 -14.310 342 HB3 ALA 46 3HB ALA 46 -29.193 17.789 -13.172 343 H GLU 47 H GLU 47 -26.164 17.373 -13.010 344 HA GLU 47 HA GLU 47 -26.766 15.217 -11.392 345 HB2 GLU 47 1HB GLU 47 -24.462 14.426 -11.860 346 HB3 GLU 47 2HB GLU 47 -25.306 14.979 -13.299 347 HG2 GLU 47 1HG GLU 47 -24.074 17.018 -13.329 348 HG3 GLU 47 2HG GLU 47 -23.364 16.674 -11.753 349 H MET 48 H MET 48 -24.808 18.034 -10.695 350 HA MET 48 HA MET 48 -23.646 17.013 -8.300 351 HB2 MET 48 1HB MET 48 -23.636 19.525 -9.790 352 HB3 MET 48 2HB MET 48 -23.615 19.765 -8.049 353 HG2 MET 48 1HG MET 48 -21.367 19.699 -8.986 354 HG3 MET 48 2HG MET 48 -21.642 18.382 -7.849 355 HE1 MET 48 3HE MET 48 -20.386 15.637 -9.175 356 HE2 MET 48 1HE MET 48 -21.616 16.293 -8.093 357 HE3 MET 48 2HE MET 48 -22.096 15.378 -9.522 358 H GLN 49 H GLN 49 -26.531 18.880 -9.058 359 HA GLN 49 HA GLN 49 -27.191 19.389 -6.311 360 HB2 GLN 49 1HB GLN 49 -29.063 19.556 -8.669 361 HB3 GLN 49 2HB GLN 49 -29.177 20.413 -7.138 362 HG2 GLN 49 1HG GLN 49 -27.114 21.641 -7.715 363 HG3 GLN 49 2HG GLN 49 -27.112 20.837 -9.284 364 HE21 GLN 49 2HE2 GLN 49 -29.705 22.274 -7.341 365 HE22 GLN 49 1HE2 GLN 49 -30.243 23.374 -8.559 366 H GLU 50 H GLU 50 -27.546 16.750 -8.423 367 HA GLU 50 HA GLU 50 -29.951 15.643 -7.401 368 HB2 GLU 50 1HB GLU 50 -28.957 14.998 -9.576 369 HB3 GLU 50 2HB GLU 50 -27.627 14.230 -8.721 370 HG2 GLU 50 1HG GLU 50 -29.272 12.601 -9.465 371 HG3 GLU 50 2HG GLU 50 -29.162 12.648 -7.706 372 H ARG 51 H ARG 51 -26.771 15.846 -6.172 373 HA ARG 51 HA ARG 51 -27.289 13.694 -4.237 374 HB2 ARG 51 1HB ARG 51 -24.671 15.091 -4.807 375 HB3 ARG 51 2HB ARG 51 -24.909 13.663 -3.810 376 HG2 ARG 51 1HG ARG 51 -25.355 12.304 -5.668 377 HG3 ARG 51 2HG ARG 51 -25.601 13.693 -6.728 378 HD2 ARG 51 1HD ARG 51 -23.434 13.785 -7.227 379 HD3 ARG 51 2HD ARG 51 -22.982 13.762 -5.523 380 HE ARG 51 HE ARG 51 -22.936 11.559 -7.347 381 HH11 ARG 51 1HH1 ARG 51 -23.305 12.455 -4.003 382 HH12 ARG 51 2HH1 ARG 51 -22.769 10.922 -3.398 383 HH21 ARG 51 1HH2 ARG 51 -22.229 9.537 -6.563 384 HH22 ARG 51 2HH2 ARG 51 -22.157 9.263 -4.855 385 H SER 52 H SER 52 -26.512 17.103 -4.556 386 HA SER 52 HA SER 52 -26.295 17.524 -1.713 387 HB2 SER 52 1HB SER 52 -25.101 18.870 -3.538 388 HB3 SER 52 2HB SER 52 -26.647 19.676 -3.798 389 HG SER 52 HG SER 52 -25.866 20.931 -2.275 390 H GLY 53 H GLY 53 -28.724 18.023 -4.220 391 HA2 GLY 53 1HA GLY 53 -30.997 18.329 -4.056 392 HA3 GLY 53 2HA GLY 53 -30.862 17.901 -2.357 393 H ARG 54 H ARG 54 -29.264 20.585 -4.005 394 HA ARG 54 HA ARG 54 -31.096 22.516 -2.860 395 HB2 ARG 54 1HB ARG 54 -28.199 22.375 -2.011 396 HB3 ARG 54 2HB ARG 54 -29.252 23.751 -1.711 397 HG2 ARG 54 1HG ARG 54 -30.734 22.307 -0.387 398 HG3 ARG 54 2HG ARG 54 -29.631 20.956 -0.657 399 HD2 ARG 54 1HD ARG 54 -28.009 21.829 0.717 400 HD3 ARG 54 2HD ARG 54 -28.552 23.489 0.479 401 HE ARG 54 HE ARG 54 -29.972 23.242 2.256 402 HH11 ARG 54 1HH1 ARG 54 -28.896 20.101 1.209 403 HH12 ARG 54 2HH1 ARG 54 -29.605 19.266 2.552 404 HH21 ARG 54 1HH2 ARG 54 -30.909 22.155 4.029 405 HH22 ARG 54 2HH2 ARG 54 -30.751 20.435 4.155 406 H ASN 55 H ASN 55 -30.114 24.830 -3.312 407 HA ASN 55 HA ASN 55 -30.123 25.308 -5.989 408 HB2 ASN 55 1HB ASN 55 -30.313 27.150 -4.483 409 HB3 ASN 55 2HB ASN 55 -28.723 26.836 -3.794 410 HD21 ASN 55 2HD2 ASN 55 -30.053 27.258 -7.061 411 HD22 ASN 55 1HD2 ASN 55 -28.887 28.429 -7.565 412 H THR 56 H THR 56 -27.070 25.726 -4.221 413 HA THR 56 HA THR 56 -25.602 23.929 -5.876 414 HB THR 56 HB THR 56 -24.322 26.439 -6.408 415 HG1 THR 56 HG1 THR 56 -26.171 27.549 -6.563 416 HG21 THR 56 3HG2 THR 56 -25.251 24.044 -7.851 417 HG22 THR 56 1HG2 THR 56 -23.711 24.896 -7.943 418 HG23 THR 56 2HG2 THR 56 -25.111 25.508 -8.824 419 H PHE 57 H PHE 57 -23.791 23.325 -4.848 420 HA PHE 57 HA PHE 57 -22.482 25.149 -2.992 421 HB2 PHE 57 1HB PHE 57 -22.875 23.992 -1.071 422 HB3 PHE 57 2HB PHE 57 -24.332 23.509 -1.933 423 HD1 PHE 57 HD2 PHE 57 -23.782 21.411 -3.615 424 HD2 PHE 57 HD1 PHE 57 -21.843 22.305 0.067 425 HE1 PHE 57 HE2 PHE 57 -23.134 19.049 -3.387 426 HE2 PHE 57 HE1 PHE 57 -21.190 19.944 0.301 427 HZ PHE 57 HZ PHE 57 -21.837 18.312 -1.427 428 HA PRO 58 HA PRO 58 -18.776 23.219 -4.324 429 HB2 PRO 58 1HB PRO 58 -17.278 23.167 -2.061 430 HB3 PRO 58 2HB PRO 58 -17.634 24.656 -2.943 431 HG2 PRO 58 1HG PRO 58 -18.943 23.549 -0.489 432 HG3 PRO 58 2HG PRO 58 -18.465 25.219 -0.845 433 HD2 PRO 58 1HD PRO 58 -21.019 24.353 -1.086 434 HD3 PRO 58 2HD PRO 58 -20.336 25.614 -2.132 435 H GLN 59 H GLN 59 -18.444 21.157 -4.840 436 HA GLN 59 HA GLN 59 -19.078 19.079 -2.863 437 HB2 GLN 59 1HB GLN 59 -19.357 19.288 -5.779 438 HB3 GLN 59 2HB GLN 59 -18.704 17.751 -5.229 439 HG2 GLN 59 1HG GLN 59 -20.754 17.077 -4.772 440 HG3 GLN 59 2HG GLN 59 -20.875 18.340 -3.548 441 HE21 GLN 59 2HE2 GLN 59 -20.818 20.573 -5.220 442 HE22 GLN 59 1HE2 GLN 59 -22.280 20.609 -6.139 443 H ILE 60 H ILE 60 -17.525 17.830 -2.037 444 HA ILE 60 HA ILE 60 -14.842 17.989 -3.249 445 HB ILE 60 HB ILE 60 -15.669 17.782 -0.364 446 HG12 ILE 60 1HG1 ILE 60 -13.947 19.668 -0.231 447 HG13 ILE 60 2HG1 ILE 60 -13.992 19.689 -1.991 448 HG21 ILE 60 1HG2 ILE 60 -14.009 16.121 -0.516 449 HG22 ILE 60 2HG2 ILE 60 -13.027 17.089 -1.613 450 HG23 ILE 60 3HG2 ILE 60 -13.179 17.558 0.080 451 HD11 ILE 60 3HD1 ILE 60 -16.498 19.954 -0.381 452 HD12 ILE 60 1HD1 ILE 60 -15.462 21.344 -0.705 453 HD13 ILE 60 2HD1 ILE 60 -16.184 20.450 -2.044 454 H PHE 61 H PHE 61 -14.697 16.180 -4.457 455 HA PHE 61 HA PHE 61 -15.595 13.633 -3.339 456 HB2 PHE 61 1HB PHE 61 -14.494 14.160 -6.103 457 HB3 PHE 61 2HB PHE 61 -15.379 12.739 -5.561 458 HD1 PHE 61 HD1 PHE 61 -17.756 13.410 -4.447 459 HD2 PHE 61 HD2 PHE 61 -15.657 15.622 -7.417 460 HE1 PHE 61 HE1 PHE 61 -19.868 14.453 -5.157 461 HE2 PHE 61 HE2 PHE 61 -17.766 16.669 -8.132 462 HZ PHE 61 HZ PHE 61 -19.875 16.086 -7.001 463 H ILE 62 H ILE 62 -14.177 12.547 -2.153 464 HA ILE 62 HA ILE 62 -11.328 12.678 -2.890 465 HB ILE 62 HB ILE 62 -12.578 12.102 -0.203 466 HG12 ILE 62 1HG1 ILE 62 -10.896 14.411 -1.202 467 HG13 ILE 62 2HG1 ILE 62 -12.610 14.470 -0.803 468 HG21 ILE 62 1HG2 ILE 62 -10.606 10.729 -0.512 469 HG22 ILE 62 2HG2 ILE 62 -9.676 12.138 -1.020 470 HG23 ILE 62 3HG2 ILE 62 -10.266 12.022 0.638 471 HD11 ILE 62 3HD1 ILE 62 -10.252 14.266 1.013 472 HD12 ILE 62 1HD1 ILE 62 -11.614 15.386 1.061 473 HD13 ILE 62 2HD1 ILE 62 -11.838 13.703 1.541 474 H GLY 63 H GLY 63 -10.791 10.939 -4.048 475 HA2 GLY 63 1HA GLY 63 -10.436 8.735 -4.589 476 HA3 GLY 63 2HA GLY 63 -10.884 8.341 -2.936 477 H SER 64 H SER 64 -12.743 7.294 -2.601 478 HA SER 64 HA SER 64 -14.652 7.156 -4.843 479 HB2 SER 64 1HB SER 64 -13.231 5.054 -3.945 480 HB3 SER 64 2HB SER 64 -14.608 4.957 -2.847 481 HG SER 64 HG SER 64 -15.653 4.093 -4.437 482 H VAL 65 H VAL 65 -14.373 8.781 -2.204 483 HA VAL 65 HA VAL 65 -17.140 8.308 -1.303 484 HB VAL 65 HB VAL 65 -14.918 9.399 0.423 485 HG11 VAL 65 1HG1 VAL 65 -17.806 8.794 0.827 486 HG12 VAL 65 2HG1 VAL 65 -16.693 8.579 2.179 487 HG13 VAL 65 3HG1 VAL 65 -16.847 10.156 1.405 488 HG21 VAL 65 3HG2 VAL 65 -15.938 6.599 0.074 489 HG22 VAL 65 1HG2 VAL 65 -14.273 7.180 0.077 490 HG23 VAL 65 2HG2 VAL 65 -15.191 7.126 1.582 491 H HIS 66 H HIS 66 -18.376 10.140 -0.750 492 HA HIS 66 HA HIS 66 -17.424 12.614 -2.016 493 HB2 HIS 66 1HB HIS 66 -19.508 11.647 -2.918 494 HB3 HIS 66 2HB HIS 66 -20.248 11.773 -1.325 495 HD1 HIS 66 HD1 HIS 66 -22.062 13.313 -2.477 496 HD2 HIS 66 HD2 HIS 66 -18.208 14.864 -2.387 497 HE1 HIS 66 HE1 HIS 66 -22.311 15.763 -2.988 498 H VAL 67 H VAL 67 -16.359 13.713 -0.445 499 HA VAL 67 HA VAL 67 -16.923 13.783 2.269 500 HB VAL 67 HB VAL 67 -15.687 15.932 0.545 501 HG11 VAL 67 1HG1 VAL 67 -16.290 15.836 3.424 502 HG12 VAL 67 2HG1 VAL 67 -14.650 16.338 3.006 503 HG13 VAL 67 3HG1 VAL 67 -16.036 17.219 2.360 504 HG21 VAL 67 3HG2 VAL 67 -14.195 14.208 0.386 505 HG22 VAL 67 1HG2 VAL 67 -13.635 14.941 1.889 506 HG23 VAL 67 2HG2 VAL 67 -14.665 13.511 1.936 507 H GLY 68 H GLY 68 -17.440 16.674 0.275 508 HA2 GLY 68 1HA GLY 68 -20.117 17.059 0.393 509 HA3 GLY 68 2HA GLY 68 -19.594 17.511 2.009 510 H GLY 69 H GLY 69 -19.330 19.620 2.257 511 HA2 GLY 69 1HA GLY 69 -18.048 21.143 0.098 512 HA3 GLY 69 2HA GLY 69 -19.604 21.690 0.703 513 H CYS 70 H CYS 70 -18.826 23.647 1.467 514 HA CYS 70 HA CYS 70 -16.544 24.033 3.016 515 HB2 CYS 70 1HB CYS 70 -17.569 26.145 3.716 516 HB3 CYS 70 2HB CYS 70 -17.805 25.875 1.994 517 HG CYS 70 HG CYS 70 -20.429 25.582 2.015 518 H ASP 71 H ASP 71 -19.749 22.955 3.912 519 HA ASP 71 HA ASP 71 -19.404 23.255 6.726 520 HB2 ASP 71 1HB ASP 71 -21.599 23.016 5.371 521 HB3 ASP 71 2HB ASP 71 -21.292 21.284 5.464 522 H ASP 72 H ASP 72 -19.232 20.457 4.536 523 HA ASP 72 HA ASP 72 -18.512 18.588 6.531 524 HB2 ASP 72 1HB ASP 72 -18.263 18.605 3.530 525 HB3 ASP 72 2HB ASP 72 -17.656 17.263 4.497 526 H LEU 73 H LEU 73 -16.635 20.684 4.415 527 HA LEU 73 HA LEU 73 -14.102 19.559 5.013 528 HB2 LEU 73 1HB LEU 73 -14.936 21.247 3.142 529 HB3 LEU 73 2HB LEU 73 -14.342 22.432 4.303 530 HG LEU 73 HG LEU 73 -12.121 21.358 4.218 531 HD11 LEU 73 1HD1 LEU 73 -13.509 19.580 2.238 532 HD12 LEU 73 2HD1 LEU 73 -12.548 19.128 3.646 533 HD13 LEU 73 3HD1 LEU 73 -11.760 19.811 2.224 534 HD21 LEU 73 3HD2 LEU 73 -12.552 21.833 1.374 535 HD22 LEU 73 1HD2 LEU 73 -11.547 22.705 2.532 536 HD23 LEU 73 2HD2 LEU 73 -13.267 23.073 2.405 537 H TYR 74 H TYR 74 -15.892 22.324 6.324 538 HA TYR 74 HA TYR 74 -13.846 23.071 8.165 539 HB2 TYR 74 1HB TYR 74 -16.692 23.850 7.705 540 HB3 TYR 74 2HB TYR 74 -15.946 24.273 9.242 541 HD1 TYR 74 HD1 TYR 74 -14.367 24.181 5.876 542 HD2 TYR 74 HD2 TYR 74 -15.727 26.600 9.102 543 HE1 TYR 74 HE1 TYR 74 -13.335 26.151 4.826 544 HE2 TYR 74 HE2 TYR 74 -14.699 28.577 8.061 545 HH TYR 74 HH TYR 74 -13.363 29.312 6.426 546 H ALA 75 H ALA 75 -16.649 20.972 8.295 547 HA ALA 75 HA ALA 75 -16.598 20.616 11.133 548 HB1 ALA 75 1HB ALA 75 -18.260 18.910 10.776 549 HB2 ALA 75 2HB ALA 75 -18.632 20.301 9.757 550 HB3 ALA 75 3HB ALA 75 -17.895 18.862 9.051 551 H LEU 76 H LEU 76 -15.186 18.967 8.376 552 HA LEU 76 HA LEU 76 -14.288 16.703 9.902 553 HB2 LEU 76 1HB LEU 76 -13.921 17.675 7.106 554 HB3 LEU 76 2HB LEU 76 -12.834 16.439 7.736 555 HG LEU 76 HG LEU 76 -15.092 15.884 6.406 556 HD11 LEU 76 1HD1 LEU 76 -15.001 13.760 8.101 557 HD12 LEU 76 2HD1 LEU 76 -13.409 14.476 8.346 558 HD13 LEU 76 3HD1 LEU 76 -13.922 14.001 6.727 559 HD21 LEU 76 3HD2 LEU 76 -15.912 15.755 9.304 560 HD22 LEU 76 1HD2 LEU 76 -16.869 15.283 7.900 561 HD23 LEU 76 2HD2 LEU 76 -16.470 16.980 8.164 562 H GLU 77 H GLU 77 -12.701 19.522 8.414 563 HA GLU 77 HA GLU 77 -10.096 18.993 9.208 564 HB2 GLU 77 1HB GLU 77 -9.608 21.254 8.740 565 HB3 GLU 77 2HB GLU 77 -10.931 20.834 7.662 566 HG2 GLU 77 1HG GLU 77 -11.779 22.776 8.396 567 HG3 GLU 77 2HG GLU 77 -12.332 21.781 9.742 568 H ASP 78 H ASP 78 -12.794 20.170 11.051 569 HA ASP 78 HA ASP 78 -11.382 21.289 13.222 570 HB2 ASP 78 1HB ASP 78 -13.941 21.350 12.572 571 HB3 ASP 78 2HB ASP 78 -14.023 19.950 13.638 572 H GLU 79 H GLU 79 -12.090 18.023 12.319 573 HA GLU 79 HA GLU 79 -11.286 17.025 14.952 574 HB2 GLU 79 1HB GLU 79 -12.202 15.360 12.614 575 HB3 GLU 79 2HB GLU 79 -12.178 14.920 14.316 576 HG2 GLU 79 1HG GLU 79 -13.803 17.121 14.302 577 HG3 GLU 79 2HG GLU 79 -14.200 16.339 12.773 578 H GLY 80 H GLY 80 -10.102 17.489 11.766 579 HA2 GLY 80 1HA GLY 80 -7.937 17.242 10.984 580 HA3 GLY 80 2HA GLY 80 -7.498 16.529 12.530 581 H LYS 81 H LYS 81 -10.149 15.321 10.603 582 HA LYS 81 HA LYS 81 -8.752 12.771 10.354 583 HB2 LYS 81 1HB LYS 81 -11.620 13.452 9.685 584 HB3 LYS 81 2HB LYS 81 -10.923 11.840 9.778 585 HG2 LYS 81 1HG LYS 81 -11.116 13.744 12.101 586 HG3 LYS 81 2HG LYS 81 -12.281 12.464 11.751 587 HD2 LYS 81 1HD LYS 81 -10.880 10.819 12.441 588 HD3 LYS 81 2HD LYS 81 -9.438 11.660 11.869 589 HE2 LYS 81 1HE LYS 81 -9.488 13.134 13.777 590 HE3 LYS 81 2HE LYS 81 -11.018 12.443 14.315 591 HZ1 LYS 81 3HZ LYS 81 -8.991 10.458 13.963 592 HZ2 LYS 81 1HZ LYS 81 -9.970 10.771 15.307 593 HZ3 LYS 81 2HZ LYS 81 -8.533 11.636 15.088 594 H LEU 82 H LEU 82 -9.626 15.492 8.465 595 HA LEU 82 HA LEU 82 -9.965 14.472 5.926 596 HB2 LEU 82 1HB LEU 82 -8.575 16.974 6.850 597 HB3 LEU 82 2HB LEU 82 -8.874 16.616 5.150 598 HG LEU 82 HG LEU 82 -10.981 17.007 7.276 599 HD11 LEU 82 1HD1 LEU 82 -9.722 19.047 6.542 600 HD12 LEU 82 2HD1 LEU 82 -11.457 19.086 6.227 601 HD13 LEU 82 3HD1 LEU 82 -10.330 18.754 4.912 602 HD21 LEU 82 3HD2 LEU 82 -12.451 17.086 5.173 603 HD22 LEU 82 1HD2 LEU 82 -11.921 15.508 5.756 604 HD23 LEU 82 2HD2 LEU 82 -11.116 16.254 4.376 605 H ASP 83 H ASP 83 -6.984 14.944 7.735 606 HA ASP 83 HA ASP 83 -5.112 14.572 5.723 607 HB2 ASP 83 1HB ASP 83 -4.396 15.245 7.915 608 HB3 ASP 83 2HB ASP 83 -5.028 13.766 8.634 609 H SER 84 H SER 84 -6.904 12.173 7.594 610 HA SER 84 HA SER 84 -5.550 9.952 6.352 611 HB2 SER 84 1HB SER 84 -7.780 10.242 8.335 612 HB3 SER 84 2HB SER 84 -7.525 8.692 7.534 613 HG SER 84 HG SER 84 -6.032 9.942 9.475 614 H LEU 85 H LEU 85 -8.423 11.818 5.802 615 HA LEU 85 HA LEU 85 -9.806 9.964 4.168 616 HB2 LEU 85 1HB LEU 85 -9.978 12.864 4.741 617 HB3 LEU 85 2HB LEU 85 -10.729 12.298 3.251 618 HG LEU 85 HG LEU 85 -12.351 12.455 5.063 619 HD11 LEU 85 1HD1 LEU 85 -12.486 9.637 5.035 620 HD12 LEU 85 2HD1 LEU 85 -11.814 10.143 3.485 621 HD13 LEU 85 3HD1 LEU 85 -13.366 10.784 4.023 622 HD21 LEU 85 3HD2 LEU 85 -10.444 10.598 6.458 623 HD22 LEU 85 1HD2 LEU 85 -12.141 10.732 6.921 624 HD23 LEU 85 2HD2 LEU 85 -11.086 12.142 7.020 625 H LEU 86 H LEU 86 -7.431 12.482 3.494 626 HA LEU 86 HA LEU 86 -7.593 12.078 0.637 627 HB2 LEU 86 1HB LEU 86 -5.770 13.713 0.530 628 HB3 LEU 86 2HB LEU 86 -7.140 14.294 1.474 629 HG LEU 86 HG LEU 86 -5.713 13.433 3.500 630 HD11 LEU 86 1HD1 LEU 86 -3.618 12.826 3.104 631 HD12 LEU 86 2HD1 LEU 86 -3.308 14.313 2.209 632 HD13 LEU 86 3HD1 LEU 86 -3.963 12.904 1.376 633 HD21 LEU 86 3HD2 LEU 86 -6.188 15.671 3.560 634 HD22 LEU 86 1HD2 LEU 86 -5.541 15.966 1.947 635 HD23 LEU 86 2HD2 LEU 86 -4.443 15.731 3.307 636 H LYS 87 H LYS 87 -5.760 10.854 3.291 637 HA LYS 87 HA LYS 87 -3.575 9.874 1.684 638 HB2 LYS 87 1HB LYS 87 -3.519 10.533 4.180 639 HB3 LYS 87 2HB LYS 87 -4.233 8.953 4.472 640 HG2 LYS 87 1HG LYS 87 -1.790 9.081 2.792 641 HG3 LYS 87 2HG LYS 87 -1.623 9.344 4.530 642 HD2 LYS 87 1HD LYS 87 -3.085 6.980 3.376 643 HD3 LYS 87 2HD LYS 87 -1.353 6.956 3.716 644 HE2 LYS 87 1HE LYS 87 -3.502 7.574 5.740 645 HE3 LYS 87 2HE LYS 87 -2.729 6.002 5.543 646 HZ1 LYS 87 3HZ LYS 87 -1.515 6.958 7.232 647 HZ2 LYS 87 1HZ LYS 87 -1.582 8.513 6.568 648 HZ3 LYS 87 2HZ LYS 87 -0.570 7.344 5.883 649 H THR 88 H THR 88 -6.368 8.452 3.354 650 HA THR 88 HA THR 88 -5.823 5.851 2.174 651 HB THR 88 HB THR 88 -7.588 4.990 3.532 652 HG1 THR 88 HG1 THR 88 -9.244 6.192 4.064 653 HG21 THR 88 3HG2 THR 88 -6.917 5.704 5.781 654 HG22 THR 88 1HG2 THR 88 -6.104 7.109 5.093 655 HG23 THR 88 2HG2 THR 88 -5.516 5.485 4.733 656 H GLY 89 H GLY 89 -8.068 8.525 1.829 657 HA2 GLY 89 1HA GLY 89 -9.331 9.060 -0.051 658 HA3 GLY 89 2HA GLY 89 -8.884 7.514 -0.758 659 H LYS 90 H LYS 90 -10.093 7.375 2.436 660 HA LYS 90 HA LYS 90 -12.858 7.029 1.627 661 HB2 LYS 90 1HB LYS 90 -11.164 4.754 2.660 662 HB3 LYS 90 2HB LYS 90 -12.922 4.738 2.716 663 HG2 LYS 90 1HG LYS 90 -12.657 3.659 0.753 664 HG3 LYS 90 2HG LYS 90 -12.598 5.310 0.131 665 HD2 LYS 90 1HD LYS 90 -10.707 4.497 -0.844 666 HD3 LYS 90 2HD LYS 90 -10.017 5.016 0.696 667 HE2 LYS 90 1HE LYS 90 -10.031 2.809 1.549 668 HE3 LYS 90 2HE LYS 90 -11.057 2.231 0.238 669 HZ1 LYS 90 3HZ LYS 90 -8.866 1.523 -0.227 670 HZ2 LYS 90 1HZ LYS 90 -8.214 3.055 0.077 671 HZ3 LYS 90 2HZ LYS 90 -9.178 2.802 -1.289 672 H LEU 91 H LEU 91 -14.197 6.330 3.612 673 HA LEU 91 HA LEU 91 -13.353 8.023 5.833 674 HB2 LEU 91 1HB LEU 91 -15.599 8.097 6.492 675 HB3 LEU 91 2HB LEU 91 -15.628 8.179 4.732 676 HG LEU 91 HG LEU 91 -15.968 5.552 5.010 677 HD11 LEU 91 1HD1 LEU 91 -16.747 4.826 6.978 678 HD12 LEU 91 2HD1 LEU 91 -17.700 6.285 7.253 679 HD13 LEU 91 3HD1 LEU 91 -15.979 6.271 7.637 680 HD21 LEU 91 3HD2 LEU 91 -17.503 7.678 4.241 681 HD22 LEU 91 1HD2 LEU 91 -18.470 6.972 5.536 682 HD23 LEU 91 2HD2 LEU 91 -17.992 5.984 4.155 683 H ILE 92 H ILE 92 -13.055 7.318 7.906 684 HA ILE 92 HA ILE 92 -12.784 4.418 8.234 685 HB ILE 92 HB ILE 92 -11.724 6.634 9.991 686 HG12 ILE 92 1HG1 ILE 92 -10.274 4.901 7.979 687 HG13 ILE 92 2HG1 ILE 92 -10.705 6.590 7.731 688 HG21 ILE 92 1HG2 ILE 92 -11.230 3.661 10.000 689 HG22 ILE 92 2HG2 ILE 92 -10.327 4.833 10.957 690 HG23 ILE 92 3HG2 ILE 92 -12.052 4.603 11.244 691 HD11 ILE 92 3HD1 ILE 92 -8.437 6.568 8.340 692 HD12 ILE 92 1HD1 ILE 92 -9.316 7.108 9.771 693 HD13 ILE 92 2HD1 ILE 92 -8.725 5.449 9.672 Start of MODEL 11 1 H1 GLY 1 H GLY 1 2.945 0.033 2.881 2 HA2 GLY 1 1HA GLY 1 2.227 -1.986 2.004 3 HA3 GLY 1 2HA GLY 1 0.997 -2.053 3.258 4 HA PRO 2 HA PRO 2 -2.155 -0.865 0.459 5 HB2 PRO 2 1HB PRO 2 -3.571 1.026 1.795 6 HB3 PRO 2 2HB PRO 2 -3.601 -0.685 2.235 7 HG2 PRO 2 1HG PRO 2 -2.034 1.556 3.452 8 HG3 PRO 2 2HG PRO 2 -2.911 0.240 4.254 9 HD2 PRO 2 1HD PRO 2 -0.225 0.205 3.913 10 HD3 PRO 2 2HD PRO 2 -1.208 -1.274 3.910 11 H GLY 3 H GLY 3 -3.421 1.338 -0.255 12 HA2 GLY 3 1HA GLY 3 -1.684 2.714 -1.925 13 HA3 GLY 3 2HA GLY 3 -3.280 3.287 -1.461 14 H SER 4 H SER 4 -0.920 4.873 -1.938 15 HA SER 4 HA SER 4 -0.368 5.905 0.762 16 HB2 SER 4 1HB SER 4 1.608 5.211 -0.590 17 HB3 SER 4 2HB SER 4 1.175 6.429 -1.790 18 HG SER 4 HG SER 4 1.921 7.947 -0.524 19 H MET 5 H MET 5 -1.808 6.620 -2.288 20 HA MET 5 HA MET 5 -2.841 9.115 -1.239 21 HB2 MET 5 1HB MET 5 -0.569 9.440 -2.549 22 HB3 MET 5 2HB MET 5 -1.615 9.302 -3.956 23 HG2 MET 5 1HG MET 5 -1.493 11.585 -3.568 24 HG3 MET 5 2HG MET 5 -3.033 11.115 -2.853 25 HE1 MET 5 3HE MET 5 0.855 12.336 -1.029 26 HE2 MET 5 1HE MET 5 0.296 12.343 -2.702 27 HE3 MET 5 2HE MET 5 -0.131 13.672 -1.625 28 H VAL 6 H VAL 6 -4.628 9.945 -2.469 29 HA VAL 6 HA VAL 6 -5.741 8.047 -4.425 30 HB VAL 6 HB VAL 6 -8.016 8.599 -3.452 31 HG11 VAL 6 1HG1 VAL 6 -6.619 7.185 -1.292 32 HG12 VAL 6 2HG1 VAL 6 -7.945 6.654 -2.328 33 HG13 VAL 6 3HG1 VAL 6 -6.282 6.581 -2.914 34 HG21 VAL 6 3HG2 VAL 6 -6.635 10.437 -1.972 35 HG22 VAL 6 1HG2 VAL 6 -8.260 9.854 -1.611 36 HG23 VAL 6 2HG2 VAL 6 -6.864 9.126 -0.815 37 H ASP 7 H ASP 7 -7.187 8.942 -5.963 38 HA ASP 7 HA ASP 7 -6.487 11.573 -6.802 39 HB2 ASP 7 1HB ASP 7 -8.558 9.613 -7.802 40 HB3 ASP 7 2HB ASP 7 -8.238 11.164 -8.572 41 H VAL 8 H VAL 8 -7.362 13.440 -6.217 42 HA VAL 8 HA VAL 8 -10.021 13.406 -4.947 43 HB VAL 8 HB VAL 8 -7.804 15.423 -4.559 44 HG11 VAL 8 1HG1 VAL 8 -10.425 15.126 -3.096 45 HG12 VAL 8 2HG1 VAL 8 -9.191 16.356 -2.814 46 HG13 VAL 8 3HG1 VAL 8 -10.088 16.337 -4.333 47 HG21 VAL 8 3HG2 VAL 8 -7.487 14.459 -2.377 48 HG22 VAL 8 1HG2 VAL 8 -8.815 13.328 -2.640 49 HG23 VAL 8 2HG2 VAL 8 -7.334 13.185 -3.588 50 H ILE 9 H ILE 9 -11.584 14.799 -5.634 51 HA ILE 9 HA ILE 9 -10.899 16.686 -7.780 52 HB ILE 9 HB ILE 9 -13.351 14.931 -7.862 53 HG12 ILE 9 1HG1 ILE 9 -10.782 14.655 -9.439 54 HG13 ILE 9 2HG1 ILE 9 -11.291 13.588 -8.134 55 HG21 ILE 9 1HG2 ILE 9 -12.500 17.270 -9.297 56 HG22 ILE 9 2HG2 ILE 9 -12.675 15.905 -10.398 57 HG23 ILE 9 3HG2 ILE 9 -14.031 16.398 -9.384 58 HD11 ILE 9 3HD1 ILE 9 -12.384 12.344 -9.589 59 HD12 ILE 9 1HD1 ILE 9 -13.401 13.721 -10.013 60 HD13 ILE 9 2HD1 ILE 9 -11.899 13.429 -10.892 61 H ILE 10 H ILE 10 -12.131 18.549 -7.867 62 HA ILE 10 HA ILE 10 -14.189 18.880 -5.792 63 HB ILE 10 HB ILE 10 -12.018 19.889 -5.063 64 HG12 ILE 10 1HG1 ILE 10 -14.040 22.062 -5.546 65 HG13 ILE 10 2HG1 ILE 10 -14.400 20.715 -4.472 66 HG21 ILE 10 1HG2 ILE 10 -11.265 21.948 -6.143 67 HG22 ILE 10 2HG2 ILE 10 -11.204 20.581 -7.254 68 HG23 ILE 10 3HG2 ILE 10 -12.511 21.759 -7.377 69 HD11 ILE 10 3HD1 ILE 10 -12.117 22.652 -4.177 70 HD12 ILE 10 1HD1 ILE 10 -13.605 22.638 -3.231 71 HD13 ILE 10 2HD1 ILE 10 -12.465 21.298 -3.103 72 H TYR 11 H TYR 11 -15.970 19.992 -6.397 73 HA TYR 11 HA TYR 11 -15.982 21.106 -9.124 74 HB2 TYR 11 1HB TYR 11 -17.756 19.250 -7.780 75 HB3 TYR 11 2HB TYR 11 -18.637 20.655 -8.371 76 HD1 TYR 11 HD2 TYR 11 -15.869 18.483 -9.657 77 HD2 TYR 11 HD1 TYR 11 -19.627 20.328 -10.419 78 HE1 TYR 11 HE2 TYR 11 -15.877 17.520 -11.919 79 HE2 TYR 11 HE1 TYR 11 -19.646 19.368 -12.683 80 HH TYR 11 HH TYR 11 -17.505 16.925 -13.661 81 H THR 12 H THR 12 -16.107 23.239 -9.194 82 HA THR 12 HA THR 12 -17.644 24.635 -7.103 83 HB THR 12 HB THR 12 -16.080 26.528 -7.275 84 HG1 THR 12 HG1 THR 12 -14.971 26.495 -9.096 85 HG21 THR 12 3HG2 THR 12 -14.258 24.252 -6.742 86 HG22 THR 12 1HG2 THR 12 -15.748 24.320 -5.802 87 HG23 THR 12 2HG2 THR 12 -14.615 25.671 -5.758 88 H ARG 13 H ARG 13 -17.803 27.114 -7.982 89 HA ARG 13 HA ARG 13 -18.399 27.246 -10.803 90 HB2 ARG 13 1HB ARG 13 -20.716 27.525 -10.696 91 HB3 ARG 13 2HB ARG 13 -20.416 26.182 -9.601 92 HG2 ARG 13 1HG ARG 13 -21.664 27.320 -8.150 93 HG3 ARG 13 2HG ARG 13 -20.240 28.340 -7.931 94 HD2 ARG 13 1HD ARG 13 -21.457 30.065 -8.628 95 HD3 ARG 13 2HD ARG 13 -21.506 29.314 -10.223 96 HE ARG 13 HE ARG 13 -23.685 28.694 -9.838 97 HH11 ARG 13 1HH1 ARG 13 -22.237 29.793 -6.869 98 HH12 ARG 13 2HH1 ARG 13 -23.734 29.822 -5.997 99 HH21 ARG 13 1HH2 ARG 13 -25.662 28.728 -8.701 100 HH22 ARG 13 2HH2 ARG 13 -25.682 29.215 -7.040 101 HA PRO 14 HA PRO 14 -17.473 31.494 -10.214 102 HB2 PRO 14 1HB PRO 14 -18.983 32.656 -12.148 103 HB3 PRO 14 2HB PRO 14 -17.533 31.709 -12.501 104 HG2 PRO 14 1HG PRO 14 -20.409 30.889 -12.634 105 HG3 PRO 14 2HG PRO 14 -19.095 30.548 -13.774 106 HD2 PRO 14 1HD PRO 14 -19.953 28.735 -11.956 107 HD3 PRO 14 2HD PRO 14 -18.264 28.821 -12.494 108 H GLY 15 H GLY 15 -18.130 32.691 -8.545 109 HA2 GLY 15 1HA GLY 15 -19.592 34.333 -7.629 110 HA3 GLY 15 2HA GLY 15 -20.935 33.553 -8.451 111 H CYS 16 H CYS 16 -18.715 31.498 -6.825 112 HA CYS 16 HA CYS 16 -20.672 31.138 -4.651 113 HB2 CYS 16 1HB CYS 16 -20.527 29.200 -6.155 114 HB3 CYS 16 2HB CYS 16 -18.794 29.098 -5.862 115 HA PRO 17 HA PRO 17 -17.159 32.669 -2.280 116 HB2 PRO 17 1HB PRO 17 -18.591 33.086 -0.012 117 HB3 PRO 17 2HB PRO 17 -18.593 34.216 -1.370 118 HG2 PRO 17 1HG PRO 17 -20.605 32.121 -0.648 119 HG3 PRO 17 2HG PRO 17 -20.871 33.785 -1.199 120 HD2 PRO 17 1HD PRO 17 -21.087 31.651 -2.852 121 HD3 PRO 17 2HD PRO 17 -20.529 33.240 -3.413 122 H TYR 18 H TYR 18 -19.598 30.486 -0.856 123 HA TYR 18 HA TYR 18 -17.977 29.366 1.112 124 HB2 TYR 18 1HB TYR 18 -20.180 27.919 -0.365 125 HB3 TYR 18 2HB TYR 18 -19.607 27.604 1.269 126 HD1 TYR 18 HD1 TYR 18 -19.597 30.022 2.676 127 HD2 TYR 18 HD2 TYR 18 -22.288 28.834 -0.398 128 HE1 TYR 18 HE1 TYR 18 -21.290 31.565 3.571 129 HE2 TYR 18 HE2 TYR 18 -23.989 30.375 0.487 130 HH TYR 18 HH TYR 18 -24.498 31.439 2.769 131 H CYS 19 H CYS 19 -18.041 28.837 -2.296 132 HA CYS 19 HA CYS 19 -16.807 26.268 -2.307 133 HB2 CYS 19 1HB CYS 19 -17.031 28.404 -4.434 134 HB3 CYS 19 2HB CYS 19 -16.342 26.809 -4.718 135 H ALA 20 H ALA 20 -15.538 29.515 -3.064 136 HA ALA 20 HA ALA 20 -12.883 28.872 -3.423 137 HB1 ALA 20 1HB ALA 20 -13.088 31.350 -1.976 138 HB2 ALA 20 2HB ALA 20 -12.689 31.070 -3.672 139 HB3 ALA 20 3HB ALA 20 -14.375 31.223 -3.176 140 H ARG 21 H ARG 21 -14.558 29.602 -0.381 141 HA ARG 21 HA ARG 21 -12.386 29.584 1.341 142 HB2 ARG 21 1HB ARG 21 -15.293 29.008 1.637 143 HB3 ARG 21 2HB ARG 21 -14.230 28.553 2.962 144 HG2 ARG 21 1HG ARG 21 -14.441 31.316 1.783 145 HG3 ARG 21 2HG ARG 21 -15.230 30.774 3.265 146 HD2 ARG 21 1HD ARG 21 -13.393 31.526 4.299 147 HD3 ARG 21 2HD ARG 21 -12.630 30.053 3.701 148 HE ARG 21 HE ARG 21 -11.383 31.328 2.272 149 HH11 ARG 21 1HH1 ARG 21 -14.078 33.214 3.412 150 HH12 ARG 21 2HH1 ARG 21 -13.521 34.687 2.688 151 HH21 ARG 21 1HH2 ARG 21 -10.639 33.261 1.315 152 HH22 ARG 21 2HH2 ARG 21 -11.566 34.712 1.495 153 H ALA 22 H ALA 22 -14.444 26.851 0.362 154 HA ALA 22 HA ALA 22 -13.154 24.869 1.853 155 HB1 ALA 22 1HB ALA 22 -15.283 24.962 0.097 156 HB2 ALA 22 2HB ALA 22 -14.124 23.902 -0.706 157 HB3 ALA 22 3HB ALA 22 -14.674 23.529 0.927 158 H LYS 23 H LYS 23 -12.635 25.854 -1.530 159 HA LYS 23 HA LYS 23 -10.642 24.064 -2.209 160 HB2 LYS 23 1HB LYS 23 -10.916 26.950 -3.068 161 HB3 LYS 23 2HB LYS 23 -9.915 25.748 -3.871 162 HG2 LYS 23 1HG LYS 23 -12.427 24.578 -3.745 163 HG3 LYS 23 2HG LYS 23 -12.742 26.271 -4.132 164 HD2 LYS 23 1HD LYS 23 -10.871 24.424 -5.614 165 HD3 LYS 23 2HD LYS 23 -12.463 24.952 -6.164 166 HE2 LYS 23 1HE LYS 23 -11.144 27.312 -5.573 167 HE3 LYS 23 2HE LYS 23 -9.896 26.306 -6.307 168 HZ1 LYS 23 3HZ LYS 23 -12.166 25.987 -7.855 169 HZ2 LYS 23 1HZ LYS 23 -10.755 26.828 -8.264 170 HZ3 LYS 23 2HZ LYS 23 -12.051 27.647 -7.550 171 H ALA 24 H ALA 24 -10.179 27.373 -0.958 172 HA ALA 24 HA ALA 24 -7.407 27.284 -0.720 173 HB1 ALA 24 1HB ALA 24 -9.029 28.789 1.282 174 HB2 ALA 24 2HB ALA 24 -7.560 29.271 0.431 175 HB3 ALA 24 3HB ALA 24 -9.105 29.245 -0.420 176 H LEU 25 H LEU 25 -9.920 26.255 1.538 177 HA LEU 25 HA LEU 25 -8.309 25.776 3.771 178 HB2 LEU 25 1HB LEU 25 -10.755 25.801 3.829 179 HB3 LEU 25 2HB LEU 25 -10.793 24.310 2.890 180 HG LEU 25 HG LEU 25 -9.822 23.080 4.730 181 HD11 LEU 25 1HD1 LEU 25 -8.336 24.533 5.775 182 HD12 LEU 25 2HD1 LEU 25 -9.631 24.346 6.957 183 HD13 LEU 25 3HD1 LEU 25 -9.551 25.798 5.960 184 HD21 LEU 25 3HD2 LEU 25 -12.357 23.980 4.625 185 HD22 LEU 25 1HD2 LEU 25 -11.871 24.607 6.199 186 HD23 LEU 25 2HD2 LEU 25 -11.760 22.878 5.867 187 H LEU 26 H LEU 26 -9.216 23.626 1.096 188 HA LEU 26 HA LEU 26 -7.811 21.368 2.089 189 HB2 LEU 26 1HB LEU 26 -9.184 22.124 -0.409 190 HB3 LEU 26 2HB LEU 26 -7.935 20.890 -0.561 191 HG LEU 26 HG LEU 26 -10.165 20.635 1.435 192 HD11 LEU 26 1HD1 LEU 26 -11.428 20.809 -0.497 193 HD12 LEU 26 2HD1 LEU 26 -11.132 19.075 -0.385 194 HD13 LEU 26 3HD1 LEU 26 -10.186 20.061 -1.501 195 HD21 LEU 26 3HD2 LEU 26 -8.372 19.132 1.832 196 HD22 LEU 26 1HD2 LEU 26 -8.239 18.732 0.120 197 HD23 LEU 26 2HD2 LEU 26 -9.646 18.203 1.042 198 H ALA 27 H ALA 27 -6.950 24.051 -0.000 199 HA ALA 27 HA ALA 27 -4.454 22.945 -0.854 200 HB1 ALA 27 1HB ALA 27 -5.645 25.700 -0.991 201 HB2 ALA 27 2HB ALA 27 -4.013 25.348 -1.561 202 HB3 ALA 27 3HB ALA 27 -5.397 24.542 -2.298 203 H ARG 28 H ARG 28 -5.536 24.741 1.904 204 HA ARG 28 HA ARG 28 -3.244 26.002 2.773 205 HB2 ARG 28 1HB ARG 28 -5.584 25.988 3.821 206 HB3 ARG 28 2HB ARG 28 -5.077 24.522 4.649 207 HG2 ARG 28 1HG ARG 28 -3.464 25.646 5.906 208 HG3 ARG 28 2HG ARG 28 -3.477 27.047 4.833 209 HD2 ARG 28 1HD ARG 28 -5.478 27.845 5.688 210 HD3 ARG 28 2HD ARG 28 -5.953 26.267 6.315 211 HE ARG 28 HE ARG 28 -3.667 27.037 7.688 212 HH11 ARG 28 1HH1 ARG 28 -6.946 28.136 7.288 213 HH12 ARG 28 2HH1 ARG 28 -7.035 28.854 8.863 214 HH21 ARG 28 1HH2 ARG 28 -3.772 27.978 9.763 215 HH22 ARG 28 2HH2 ARG 28 -5.229 28.765 10.269 216 H LYS 29 H LYS 29 -4.264 22.671 3.526 217 HA LYS 29 HA LYS 29 -1.806 22.046 4.854 218 HB2 LYS 29 1HB LYS 29 -2.684 19.744 4.911 219 HB3 LYS 29 2HB LYS 29 -3.862 20.914 5.489 220 HG2 LYS 29 1HG LYS 29 -4.669 20.846 2.988 221 HG3 LYS 29 2HG LYS 29 -3.875 19.269 3.014 222 HD2 LYS 29 1HD LYS 29 -5.994 20.184 4.958 223 HD3 LYS 29 2HD LYS 29 -6.274 19.131 3.569 224 HE2 LYS 29 1HE LYS 29 -5.654 17.353 4.748 225 HE3 LYS 29 2HE LYS 29 -4.102 18.102 5.120 226 HZ1 LYS 29 3HZ LYS 29 -5.553 17.473 7.069 227 HZ2 LYS 29 1HZ LYS 29 -6.566 18.753 6.625 228 HZ3 LYS 29 2HZ LYS 29 -4.962 19.058 7.064 229 H GLY 30 H GLY 30 -2.696 22.287 1.615 230 HA2 GLY 30 1HA GLY 30 -1.036 22.112 -0.100 231 HA3 GLY 30 2HA GLY 30 -0.257 20.842 0.832 232 H ALA 31 H ALA 31 -3.317 19.998 1.157 233 HA ALA 31 HA ALA 31 -3.250 17.765 -0.459 234 HB1 ALA 31 1HB ALA 31 -5.774 19.213 0.322 235 HB2 ALA 31 2HB ALA 31 -5.577 17.492 -0.012 236 HB3 ALA 31 3HB ALA 31 -4.839 18.201 1.423 237 H GLU 32 H GLU 32 -3.105 17.620 -2.593 238 HA GLU 32 HA GLU 32 -4.002 19.774 -4.301 239 HB2 GLU 32 1HB GLU 32 -2.407 17.283 -4.661 240 HB3 GLU 32 2HB GLU 32 -3.203 17.961 -6.074 241 HG2 GLU 32 1HG GLU 32 -1.262 19.410 -4.287 242 HG3 GLU 32 2HG GLU 32 -0.900 18.731 -5.873 243 H PHE 33 H PHE 33 -5.614 19.667 -5.849 244 HA PHE 33 HA PHE 33 -7.196 17.269 -6.159 245 HB2 PHE 33 1HB PHE 33 -9.325 18.467 -5.526 246 HB3 PHE 33 2HB PHE 33 -8.259 18.082 -4.179 247 HD1 PHE 33 HD2 PHE 33 -9.311 20.814 -6.444 248 HD2 PHE 33 HD1 PHE 33 -7.455 19.760 -2.762 249 HE1 PHE 33 HE2 PHE 33 -9.328 23.178 -5.763 250 HE2 PHE 33 HE1 PHE 33 -7.469 22.122 -2.074 251 HZ PHE 33 HZ PHE 33 -8.406 23.835 -3.576 252 H ASN 34 H ASN 34 -8.497 17.295 -7.992 253 HA ASN 34 HA ASN 34 -7.711 19.170 -10.012 254 HB2 ASN 34 1HB ASN 34 -8.226 16.685 -10.340 255 HB3 ASN 34 2HB ASN 34 -9.926 17.138 -10.258 256 HD21 ASN 34 2HD2 ASN 34 -10.321 16.508 -12.363 257 HD22 ASN 34 1HD2 ASN 34 -9.744 17.403 -13.723 258 H GLU 35 H GLU 35 -8.594 21.096 -10.321 259 HA GLU 35 HA GLU 35 -11.153 21.749 -9.130 260 HB2 GLU 35 1HB GLU 35 -9.281 23.334 -8.977 261 HB3 GLU 35 2HB GLU 35 -9.239 23.457 -10.730 262 HG2 GLU 35 1HG GLU 35 -11.769 24.141 -10.376 263 HG3 GLU 35 2HG GLU 35 -11.159 24.608 -8.790 264 H ILE 36 H ILE 36 -12.996 21.422 -10.166 265 HA ILE 36 HA ILE 36 -13.046 21.751 -13.093 266 HB ILE 36 HB ILE 36 -14.661 19.741 -11.521 267 HG12 ILE 36 1HG1 ILE 36 -12.357 19.270 -13.425 268 HG13 ILE 36 2HG1 ILE 36 -12.235 19.190 -11.671 269 HG21 ILE 36 1HG2 ILE 36 -15.259 18.888 -13.774 270 HG22 ILE 36 2HG2 ILE 36 -15.866 20.511 -13.451 271 HG23 ILE 36 3HG2 ILE 36 -14.449 20.288 -14.477 272 HD11 ILE 36 3HD1 ILE 36 -13.893 17.362 -11.682 273 HD12 ILE 36 1HD1 ILE 36 -13.882 17.406 -13.445 274 HD13 ILE 36 2HD1 ILE 36 -12.416 16.974 -12.564 275 H ASP 37 H ASP 37 -14.880 22.690 -13.986 276 HA ASP 37 HA ASP 37 -16.427 24.314 -12.130 277 HB2 ASP 37 1HB ASP 37 -16.083 24.340 -15.125 278 HB3 ASP 37 2HB ASP 37 -17.301 25.324 -14.318 279 H ALA 38 H ALA 38 -18.696 24.379 -12.091 280 HA ALA 38 HA ALA 38 -19.987 21.944 -13.138 281 HB1 ALA 38 1HB ALA 38 -21.128 23.466 -10.841 282 HB2 ALA 38 2HB ALA 38 -21.252 21.750 -11.228 283 HB3 ALA 38 3HB ALA 38 -19.749 22.400 -10.573 284 H SER 39 H SER 39 -20.357 25.408 -12.580 285 HA SER 39 HA SER 39 -22.965 25.642 -13.648 286 HB2 SER 39 1HB SER 39 -21.983 27.379 -12.222 287 HB3 SER 39 2HB SER 39 -20.769 27.719 -13.455 288 HG SER 39 HG SER 39 -22.957 28.957 -13.267 289 H ALA 40 H ALA 40 -19.987 25.030 -15.121 290 HA ALA 40 HA ALA 40 -20.048 26.364 -17.528 291 HB1 ALA 40 1HB ALA 40 -18.276 25.092 -17.936 292 HB2 ALA 40 2HB ALA 40 -18.619 24.215 -16.444 293 HB3 ALA 40 3HB ALA 40 -19.270 23.635 -17.977 294 H THR 41 H THR 41 -22.012 23.676 -16.471 295 HA THR 41 HA THR 41 -23.695 24.005 -18.830 296 HB THR 41 HB THR 41 -23.763 21.284 -18.616 297 HG1 THR 41 HG1 THR 41 -21.153 22.191 -17.997 298 HG21 THR 41 3HG2 THR 41 -22.566 21.248 -20.722 299 HG22 THR 41 1HG2 THR 41 -21.906 22.853 -20.408 300 HG23 THR 41 2HG2 THR 41 -23.637 22.648 -20.679 301 HA PRO 42 HA PRO 42 -27.013 23.393 -16.023 302 HB2 PRO 42 1HB PRO 42 -28.843 22.127 -17.578 303 HB3 PRO 42 2HB PRO 42 -28.437 23.836 -17.770 304 HG2 PRO 42 1HG PRO 42 -27.469 21.472 -19.331 305 HG3 PRO 42 2HG PRO 42 -27.979 23.067 -19.916 306 HD2 PRO 42 1HD PRO 42 -25.374 22.381 -19.641 307 HD3 PRO 42 2HD PRO 42 -25.954 24.042 -19.404 308 H GLU 43 H GLU 43 -26.165 20.507 -17.915 309 HA GLU 43 HA GLU 43 -27.375 18.669 -16.109 310 HB2 GLU 43 1HB GLU 43 -25.566 18.469 -18.469 311 HB3 GLU 43 2HB GLU 43 -25.673 17.083 -17.394 312 HG2 GLU 43 1HG GLU 43 -27.269 16.627 -18.998 313 HG3 GLU 43 2HG GLU 43 -28.216 17.321 -17.684 314 H LEU 44 H LEU 44 -24.020 19.698 -16.659 315 HA LEU 44 HA LEU 44 -22.767 18.056 -14.801 316 HB2 LEU 44 1HB LEU 44 -22.150 20.670 -16.055 317 HB3 LEU 44 2HB LEU 44 -21.212 20.215 -14.634 318 HG LEU 44 HG LEU 44 -21.414 18.633 -17.197 319 HD11 LEU 44 1HD1 LEU 44 -18.794 19.326 -16.818 320 HD12 LEU 44 2HD1 LEU 44 -19.651 20.777 -16.299 321 HD13 LEU 44 3HD1 LEU 44 -19.918 20.127 -17.916 322 HD21 LEU 44 3HD2 LEU 44 -20.768 17.782 -14.602 323 HD22 LEU 44 1HD2 LEU 44 -19.238 17.927 -15.469 324 HD23 LEU 44 2HD2 LEU 44 -20.526 16.910 -16.117 325 H ARG 45 H ARG 45 -24.433 21.125 -14.353 326 HA ARG 45 HA ARG 45 -23.717 21.271 -11.552 327 HB2 ARG 45 1HB ARG 45 -23.974 23.304 -12.978 328 HB3 ARG 45 2HB ARG 45 -25.693 22.953 -13.100 329 HG2 ARG 45 1HG ARG 45 -25.467 22.952 -10.446 330 HG3 ARG 45 2HG ARG 45 -24.131 24.036 -10.838 331 HD2 ARG 45 1HD ARG 45 -27.015 24.344 -11.660 332 HD3 ARG 45 2HD ARG 45 -26.143 25.322 -10.481 333 HE ARG 45 HE ARG 45 -24.981 25.327 -13.117 334 HH11 ARG 45 1HH1 ARG 45 -27.278 26.830 -10.976 335 HH12 ARG 45 2HH1 ARG 45 -27.280 28.339 -11.826 336 HH21 ARG 45 1HH2 ARG 45 -24.975 27.310 -14.245 337 HH22 ARG 45 2HH2 ARG 45 -25.971 28.611 -13.686 338 H ALA 46 H ALA 46 -26.460 20.315 -13.513 339 HA ALA 46 HA ALA 46 -28.378 20.177 -11.440 340 HB1 ALA 46 1HB ALA 46 -29.275 20.207 -13.585 341 HB2 ALA 46 2HB ALA 46 -28.180 18.952 -14.167 342 HB3 ALA 46 3HB ALA 46 -29.500 18.534 -13.075 343 H GLU 47 H GLU 47 -26.170 17.771 -12.821 344 HA GLU 47 HA GLU 47 -27.105 15.604 -11.246 345 HB2 GLU 47 1HB GLU 47 -25.108 14.433 -11.999 346 HB3 GLU 47 2HB GLU 47 -25.858 15.285 -13.341 347 HG2 GLU 47 1HG GLU 47 -24.149 17.168 -12.648 348 HG3 GLU 47 2HG GLU 47 -23.275 15.794 -11.974 349 H MET 48 H MET 48 -24.698 18.097 -10.762 350 HA MET 48 HA MET 48 -23.507 16.869 -8.463 351 HB2 MET 48 1HB MET 48 -23.137 19.310 -10.026 352 HB3 MET 48 2HB MET 48 -22.908 19.561 -8.300 353 HG2 MET 48 1HG MET 48 -20.791 19.052 -9.204 354 HG3 MET 48 2HG MET 48 -21.325 17.621 -8.325 355 HE1 MET 48 3HE MET 48 -20.105 15.175 -10.812 356 HE2 MET 48 1HE MET 48 -19.370 16.263 -9.634 357 HE3 MET 48 2HE MET 48 -20.855 15.400 -9.231 358 H GLN 49 H GLN 49 -25.703 19.634 -8.932 359 HA GLN 49 HA GLN 49 -26.096 20.132 -6.180 360 HB2 GLN 49 1HB GLN 49 -27.773 21.659 -6.835 361 HB3 GLN 49 2HB GLN 49 -26.579 21.699 -8.125 362 HG2 GLN 49 1HG GLN 49 -27.973 20.250 -9.487 363 HG3 GLN 49 2HG GLN 49 -29.159 20.149 -8.187 364 HE21 GLN 49 2HE2 GLN 49 -27.340 22.915 -9.431 365 HE22 GLN 49 1HE2 GLN 49 -28.723 23.848 -9.878 366 H GLU 50 H GLU 50 -27.442 17.820 -8.357 367 HA GLU 50 HA GLU 50 -29.854 17.292 -6.955 368 HB2 GLU 50 1HB GLU 50 -29.687 16.604 -9.242 369 HB3 GLU 50 2HB GLU 50 -28.245 15.653 -8.912 370 HG2 GLU 50 1HG GLU 50 -29.462 14.004 -7.768 371 HG3 GLU 50 2HG GLU 50 -30.887 15.033 -7.637 372 H ARG 51 H ARG 51 -26.568 16.404 -6.447 373 HA ARG 51 HA ARG 51 -27.173 14.119 -4.783 374 HB2 ARG 51 1HB ARG 51 -24.579 15.588 -5.288 375 HB3 ARG 51 2HB ARG 51 -24.727 14.109 -4.349 376 HG2 ARG 51 1HG ARG 51 -25.376 12.860 -6.263 377 HG3 ARG 51 2HG ARG 51 -25.553 14.325 -7.231 378 HD2 ARG 51 1HD ARG 51 -23.384 14.348 -7.746 379 HD3 ARG 51 2HD ARG 51 -22.912 14.123 -6.063 380 HE ARG 51 HE ARG 51 -22.574 11.910 -6.507 381 HH11 ARG 51 1HH1 ARG 51 -24.606 13.253 -8.995 382 HH12 ARG 51 2HH1 ARG 51 -24.597 11.814 -9.960 383 HH21 ARG 51 1HH2 ARG 51 -22.555 10.010 -7.769 384 HH22 ARG 51 2HH2 ARG 51 -23.431 9.970 -9.262 385 H SER 52 H SER 52 -26.309 17.500 -4.365 386 HA SER 52 HA SER 52 -26.023 17.281 -1.507 387 HB2 SER 52 1HB SER 52 -25.112 19.341 -1.641 388 HB3 SER 52 2HB SER 52 -25.165 19.103 -3.388 389 HG SER 52 HG SER 52 -26.164 21.067 -2.730 390 H GLY 53 H GLY 53 -28.509 18.315 -3.776 391 HA2 GLY 53 1HA GLY 53 -30.815 18.290 -3.388 392 HA3 GLY 53 2HA GLY 53 -30.501 18.073 -1.672 393 H ARG 54 H ARG 54 -29.046 20.596 -3.630 394 HA ARG 54 HA ARG 54 -30.910 22.596 -2.655 395 HB2 ARG 54 1HB ARG 54 -27.984 22.630 -1.897 396 HB3 ARG 54 2HB ARG 54 -29.087 23.982 -1.680 397 HG2 ARG 54 1HG ARG 54 -30.463 22.582 -0.188 398 HG3 ARG 54 2HG ARG 54 -29.280 21.284 -0.360 399 HD2 ARG 54 1HD ARG 54 -27.639 22.459 0.801 400 HD3 ARG 54 2HD ARG 54 -28.439 24.010 0.549 401 HE ARG 54 HE ARG 54 -29.972 22.176 2.139 402 HH11 ARG 54 1HH1 ARG 54 -27.463 24.589 2.184 403 HH12 ARG 54 2HH1 ARG 54 -27.706 24.997 3.850 404 HH21 ARG 54 1HH2 ARG 54 -30.301 22.705 4.333 405 HH22 ARG 54 2HH2 ARG 54 -29.320 23.924 5.072 406 H ASN 55 H ASN 55 -30.000 24.871 -3.374 407 HA ASN 55 HA ASN 55 -30.106 25.085 -6.076 408 HB2 ASN 55 1HB ASN 55 -28.548 27.204 -5.630 409 HB3 ASN 55 2HB ASN 55 -30.226 27.153 -5.100 410 HD21 ASN 55 2HD2 ASN 55 -27.026 27.563 -4.168 411 HD22 ASN 55 1HD2 ASN 55 -27.255 27.536 -2.455 412 H THR 56 H THR 56 -26.983 25.695 -4.499 413 HA THR 56 HA THR 56 -25.594 23.762 -6.098 414 HB THR 56 HB THR 56 -24.783 26.599 -6.655 415 HG1 THR 56 HG1 THR 56 -26.353 26.818 -8.057 416 HG21 THR 56 3HG2 THR 56 -24.456 24.058 -8.253 417 HG22 THR 56 1HG2 THR 56 -23.242 24.711 -7.153 418 HG23 THR 56 2HG2 THR 56 -23.715 25.623 -8.587 419 H PHE 57 H PHE 57 -23.749 23.171 -5.117 420 HA PHE 57 HA PHE 57 -22.384 25.028 -3.333 421 HB2 PHE 57 1HB PHE 57 -22.731 23.906 -1.385 422 HB3 PHE 57 2HB PHE 57 -24.201 23.389 -2.204 423 HD1 PHE 57 HD2 PHE 57 -23.649 21.270 -3.868 424 HD2 PHE 57 HD1 PHE 57 -21.668 22.250 -0.230 425 HE1 PHE 57 HE2 PHE 57 -22.965 18.921 -3.612 426 HE2 PHE 57 HE1 PHE 57 -20.980 19.902 0.031 427 HZ PHE 57 HZ PHE 57 -21.630 18.233 -1.660 428 HA PRO 58 HA PRO 58 -18.709 23.078 -4.718 429 HB2 PRO 58 1HB PRO 58 -17.169 23.009 -2.482 430 HB3 PRO 58 2HB PRO 58 -17.533 24.504 -3.352 431 HG2 PRO 58 1HG PRO 58 -18.804 23.394 -0.879 432 HG3 PRO 58 2HG PRO 58 -18.323 25.063 -1.238 433 HD2 PRO 58 1HD PRO 58 -20.886 24.211 -1.435 434 HD3 PRO 58 2HD PRO 58 -20.215 25.472 -2.489 435 H GLN 59 H GLN 59 -18.288 21.025 -5.216 436 HA GLN 59 HA GLN 59 -19.093 18.917 -3.355 437 HB2 GLN 59 1HB GLN 59 -18.091 18.306 -6.094 438 HB3 GLN 59 2HB GLN 59 -19.362 17.523 -5.164 439 HG2 GLN 59 1HG GLN 59 -19.756 20.310 -6.146 440 HG3 GLN 59 2HG GLN 59 -19.951 18.952 -7.253 441 HE21 GLN 59 2HE2 GLN 59 -21.908 20.878 -6.211 442 HE22 GLN 59 1HE2 GLN 59 -23.147 19.930 -5.469 443 H ILE 60 H ILE 60 -17.680 17.642 -2.326 444 HA ILE 60 HA ILE 60 -14.834 17.883 -3.057 445 HB ILE 60 HB ILE 60 -16.009 17.427 -0.312 446 HG12 ILE 60 1HG1 ILE 60 -16.221 19.749 -1.168 447 HG13 ILE 60 2HG1 ILE 60 -15.150 19.633 0.224 448 HG21 ILE 60 1HG2 ILE 60 -13.281 18.092 -0.167 449 HG22 ILE 60 2HG2 ILE 60 -14.046 16.558 0.245 450 HG23 ILE 60 3HG2 ILE 60 -13.426 16.824 -1.384 451 HD11 ILE 60 3HD1 ILE 60 -13.587 19.326 -2.122 452 HD12 ILE 60 1HD1 ILE 60 -14.623 20.739 -2.320 453 HD13 ILE 60 2HD1 ILE 60 -13.548 20.622 -0.927 454 H PHE 61 H PHE 61 -14.507 16.083 -4.259 455 HA PHE 61 HA PHE 61 -15.464 13.510 -3.238 456 HB2 PHE 61 1HB PHE 61 -14.130 14.051 -5.893 457 HB3 PHE 61 2HB PHE 61 -15.049 12.624 -5.426 458 HD1 PHE 61 HD1 PHE 61 -17.528 12.908 -4.949 459 HD2 PHE 61 HD2 PHE 61 -15.176 15.865 -6.909 460 HE1 PHE 61 HE1 PHE 61 -19.574 13.928 -5.858 461 HE2 PHE 61 HE2 PHE 61 -17.218 16.890 -7.820 462 HZ PHE 61 HZ PHE 61 -19.421 15.923 -7.295 463 H ILE 62 H ILE 62 -14.143 12.235 -2.137 464 HA ILE 62 HA ILE 62 -11.243 12.468 -2.602 465 HB ILE 62 HB ILE 62 -12.639 12.048 0.042 466 HG12 ILE 62 1HG1 ILE 62 -10.865 14.282 -0.968 467 HG13 ILE 62 2HG1 ILE 62 -12.604 14.380 -0.720 468 HG21 ILE 62 1HG2 ILE 62 -9.701 12.003 -0.629 469 HG22 ILE 62 2HG2 ILE 62 -10.365 12.020 1.004 470 HG23 ILE 62 3HG2 ILE 62 -10.675 10.648 -0.060 471 HD11 ILE 62 3HD1 ILE 62 -11.794 15.383 1.175 472 HD12 ILE 62 1HD1 ILE 62 -12.015 13.722 1.723 473 HD13 ILE 62 2HD1 ILE 62 -10.407 14.300 1.286 474 H GLY 63 H GLY 63 -10.386 10.645 -3.336 475 HA2 GLY 63 1HA GLY 63 -10.001 8.410 -3.699 476 HA3 GLY 63 2HA GLY 63 -10.803 8.115 -2.163 477 H SER 64 H SER 64 -12.710 7.107 -2.187 478 HA SER 64 HA SER 64 -14.146 6.945 -4.756 479 HB2 SER 64 1HB SER 64 -13.617 4.790 -2.711 480 HB3 SER 64 2HB SER 64 -14.895 4.647 -3.918 481 HG SER 64 HG SER 64 -12.186 5.170 -4.565 482 H VAL 65 H VAL 65 -14.332 8.440 -1.985 483 HA VAL 65 HA VAL 65 -17.234 8.011 -1.684 484 HB VAL 65 HB VAL 65 -15.388 8.918 0.524 485 HG11 VAL 65 1HG1 VAL 65 -18.302 8.343 0.295 486 HG12 VAL 65 2HG1 VAL 65 -17.484 8.010 1.823 487 HG13 VAL 65 3HG1 VAL 65 -17.472 9.641 1.152 488 HG21 VAL 65 3HG2 VAL 65 -14.677 6.789 0.559 489 HG22 VAL 65 1HG2 VAL 65 -16.256 6.442 1.264 490 HG23 VAL 65 2HG2 VAL 65 -15.997 6.229 -0.468 491 H HIS 66 H HIS 66 -18.507 9.852 -1.222 492 HA HIS 66 HA HIS 66 -17.322 12.340 -2.212 493 HB2 HIS 66 1HB HIS 66 -19.323 11.608 -3.375 494 HB3 HIS 66 2HB HIS 66 -20.209 11.512 -1.856 495 HD1 HIS 66 HD1 HIS 66 -21.884 13.194 -3.118 496 HD2 HIS 66 HD2 HIS 66 -18.155 14.725 -2.114 497 HE1 HIS 66 HE1 HIS 66 -22.122 15.693 -3.263 498 H VAL 67 H VAL 67 -16.422 13.465 -0.590 499 HA VAL 67 HA VAL 67 -17.166 13.414 2.099 500 HB VAL 67 HB VAL 67 -15.791 15.635 0.580 501 HG11 VAL 67 1HG1 VAL 67 -14.840 16.001 2.987 502 HG12 VAL 67 2HG1 VAL 67 -16.401 16.688 2.535 503 HG13 VAL 67 3HG1 VAL 67 -16.332 15.202 3.483 504 HG21 VAL 67 3HG2 VAL 67 -14.906 13.047 1.674 505 HG22 VAL 67 1HG2 VAL 67 -14.240 14.013 0.357 506 HG23 VAL 67 2HG2 VAL 67 -13.863 14.423 2.030 507 H GLY 68 H GLY 68 -17.534 16.320 0.076 508 HA2 GLY 68 1HA GLY 68 -20.226 16.721 0.137 509 HA3 GLY 68 2HA GLY 68 -19.699 17.256 1.726 510 H GLY 69 H GLY 69 -18.893 19.264 1.949 511 HA2 GLY 69 1HA GLY 69 -17.762 20.675 -0.315 512 HA3 GLY 69 2HA GLY 69 -19.310 21.300 0.236 513 H CYS 70 H CYS 70 -18.664 23.236 1.047 514 HA CYS 70 HA CYS 70 -16.330 23.673 2.554 515 HB2 CYS 70 1HB CYS 70 -17.505 25.502 1.455 516 HB3 CYS 70 2HB CYS 70 -18.912 25.246 2.480 517 HG CYS 70 HG CYS 70 -18.190 26.964 4.231 518 H ASP 71 H ASP 71 -19.662 22.984 3.521 519 HA ASP 71 HA ASP 71 -19.312 23.309 6.290 520 HB2 ASP 71 1HB ASP 71 -21.301 21.915 4.557 521 HB3 ASP 71 2HB ASP 71 -21.293 21.542 6.279 522 H ASP 72 H ASP 72 -19.162 20.388 4.267 523 HA ASP 72 HA ASP 72 -18.506 18.628 6.382 524 HB2 ASP 72 1HB ASP 72 -17.986 18.361 3.413 525 HB3 ASP 72 2HB ASP 72 -17.858 17.054 4.588 526 H LEU 73 H LEU 73 -16.537 20.415 4.048 527 HA LEU 73 HA LEU 73 -14.051 19.314 4.795 528 HB2 LEU 73 1HB LEU 73 -14.665 20.695 2.726 529 HB3 LEU 73 2HB LEU 73 -14.422 22.105 3.755 530 HG LEU 73 HG LEU 73 -12.077 21.213 4.169 531 HD11 LEU 73 1HD1 LEU 73 -11.190 19.532 2.876 532 HD12 LEU 73 2HD1 LEU 73 -12.416 19.700 1.620 533 HD13 LEU 73 3HD1 LEU 73 -12.824 18.928 3.152 534 HD21 LEU 73 3HD2 LEU 73 -12.605 23.122 2.702 535 HD22 LEU 73 1HD2 LEU 73 -12.794 22.007 1.348 536 HD23 LEU 73 2HD2 LEU 73 -11.222 22.190 2.126 537 H TYR 74 H TYR 74 -15.928 22.013 6.028 538 HA TYR 74 HA TYR 74 -13.850 23.028 7.713 539 HB2 TYR 74 1HB TYR 74 -16.750 23.586 7.313 540 HB3 TYR 74 2HB TYR 74 -16.016 24.106 8.826 541 HD1 TYR 74 HD1 TYR 74 -14.547 24.037 5.404 542 HD2 TYR 74 HD2 TYR 74 -15.899 26.428 8.653 543 HE1 TYR 74 HE1 TYR 74 -13.673 26.045 4.282 544 HE2 TYR 74 HE2 TYR 74 -15.030 28.442 7.540 545 HH TYR 74 HH TYR 74 -12.889 28.353 4.990 546 H ALA 75 H ALA 75 -16.573 20.833 8.128 547 HA ALA 75 HA ALA 75 -16.258 20.592 10.965 548 HB1 ALA 75 1HB ALA 75 -18.393 20.034 10.485 549 HB2 ALA 75 2HB ALA 75 -17.984 19.391 8.894 550 HB3 ALA 75 3HB ALA 75 -17.701 18.418 10.337 551 H LEU 76 H LEU 76 -15.022 18.923 8.156 552 HA LEU 76 HA LEU 76 -14.014 16.673 9.636 553 HB2 LEU 76 1HB LEU 76 -13.851 17.627 6.818 554 HB3 LEU 76 2HB LEU 76 -12.685 16.431 7.378 555 HG LEU 76 HG LEU 76 -14.984 15.772 6.204 556 HD11 LEU 76 1HD1 LEU 76 -14.804 13.668 7.835 557 HD12 LEU 76 2HD1 LEU 76 -13.267 14.445 8.212 558 HD13 LEU 76 3HD1 LEU 76 -13.638 13.986 6.550 559 HD21 LEU 76 3HD2 LEU 76 -16.296 16.900 8.005 560 HD22 LEU 76 1HD2 LEU 76 -15.679 15.693 9.135 561 HD23 LEU 76 2HD2 LEU 76 -16.688 15.195 7.777 562 H GLU 77 H GLU 77 -12.562 19.513 8.059 563 HA GLU 77 HA GLU 77 -9.903 19.019 8.671 564 HB2 GLU 77 1HB GLU 77 -9.477 21.269 8.159 565 HB3 GLU 77 2HB GLU 77 -10.909 20.874 7.219 566 HG2 GLU 77 1HG GLU 77 -11.582 22.857 8.072 567 HG3 GLU 77 2HG GLU 77 -12.130 21.803 9.374 568 H ASP 78 H ASP 78 -12.475 20.252 10.684 569 HA ASP 78 HA ASP 78 -10.819 21.216 12.790 570 HB2 ASP 78 1HB ASP 78 -13.401 21.588 12.214 571 HB3 ASP 78 2HB ASP 78 -13.581 20.277 13.377 572 H GLU 79 H GLU 79 -12.054 18.100 11.908 573 HA GLU 79 HA GLU 79 -11.436 16.944 14.506 574 HB2 GLU 79 1HB GLU 79 -12.438 15.624 11.977 575 HB3 GLU 79 2HB GLU 79 -12.306 14.858 13.554 576 HG2 GLU 79 1HG GLU 79 -13.829 17.092 14.065 577 HG3 GLU 79 2HG GLU 79 -14.389 16.568 12.478 578 H GLY 80 H GLY 80 -9.720 17.764 11.807 579 HA2 GLY 80 1HA GLY 80 -7.635 17.208 11.024 580 HA3 GLY 80 2HA GLY 80 -7.359 16.498 12.607 581 H LYS 81 H LYS 81 -9.960 15.332 10.634 582 HA LYS 81 HA LYS 81 -8.600 12.758 10.417 583 HB2 LYS 81 1HB LYS 81 -11.453 13.413 9.677 584 HB3 LYS 81 2HB LYS 81 -10.758 11.820 9.943 585 HG2 LYS 81 1HG LYS 81 -10.381 13.455 12.269 586 HG3 LYS 81 2HG LYS 81 -12.081 13.446 11.795 587 HD2 LYS 81 1HD LYS 81 -10.367 10.996 12.207 588 HD3 LYS 81 2HD LYS 81 -11.539 11.629 13.365 589 HE2 LYS 81 1HE LYS 81 -13.290 11.361 11.585 590 HE3 LYS 81 2HE LYS 81 -12.082 10.515 10.618 591 HZ1 LYS 81 3HZ LYS 81 -13.185 8.814 11.696 592 HZ2 LYS 81 1HZ LYS 81 -13.347 9.674 13.144 593 HZ3 LYS 81 2HZ LYS 81 -11.841 9.047 12.697 594 H LEU 82 H LEU 82 -9.413 15.473 8.504 595 HA LEU 82 HA LEU 82 -9.801 14.451 5.977 596 HB2 LEU 82 1HB LEU 82 -8.368 16.912 6.925 597 HB3 LEU 82 2HB LEU 82 -8.547 16.549 5.210 598 HG LEU 82 HG LEU 82 -10.792 17.017 7.172 599 HD11 LEU 82 1HD1 LEU 82 -9.512 19.035 6.567 600 HD12 LEU 82 2HD1 LEU 82 -11.166 19.069 5.959 601 HD13 LEU 82 3HD1 LEU 82 -9.833 18.703 4.865 602 HD21 LEU 82 3HD2 LEU 82 -12.021 17.148 4.852 603 HD22 LEU 82 1HD2 LEU 82 -11.780 15.602 5.666 604 HD23 LEU 82 2HD2 LEU 82 -10.711 16.079 4.346 605 H ASP 83 H ASP 83 -6.796 14.793 7.772 606 HA ASP 83 HA ASP 83 -4.953 14.333 5.747 607 HB2 ASP 83 1HB ASP 83 -4.985 14.169 8.664 608 HB3 ASP 83 2HB ASP 83 -3.874 13.017 7.928 609 H SER 84 H SER 84 -6.803 12.019 7.677 610 HA SER 84 HA SER 84 -5.563 9.738 6.430 611 HB2 SER 84 1HB SER 84 -7.685 10.163 8.486 612 HB3 SER 84 2HB SER 84 -7.641 8.613 7.646 613 HG SER 84 HG SER 84 -5.690 8.189 8.494 614 H LEU 85 H LEU 85 -8.438 11.658 5.970 615 HA LEU 85 HA LEU 85 -9.877 9.854 4.342 616 HB2 LEU 85 1HB LEU 85 -10.016 12.696 5.049 617 HB3 LEU 85 2HB LEU 85 -10.665 12.307 3.457 618 HG LEU 85 HG LEU 85 -12.423 12.347 5.138 619 HD11 LEU 85 1HD1 LEU 85 -13.519 10.478 4.395 620 HD12 LEU 85 2HD1 LEU 85 -12.092 9.451 4.530 621 HD13 LEU 85 3HD1 LEU 85 -12.230 10.596 3.196 622 HD21 LEU 85 3HD2 LEU 85 -11.328 11.819 7.151 623 HD22 LEU 85 1HD2 LEU 85 -10.686 10.310 6.503 624 HD23 LEU 85 2HD2 LEU 85 -12.410 10.460 6.843 625 H LEU 86 H LEU 86 -7.518 12.382 3.605 626 HA LEU 86 HA LEU 86 -7.723 11.939 0.758 627 HB2 LEU 86 1HB LEU 86 -5.873 13.572 0.624 628 HB3 LEU 86 2HB LEU 86 -7.277 14.167 1.507 629 HG LEU 86 HG LEU 86 -5.764 13.228 3.547 630 HD11 LEU 86 1HD1 LEU 86 -3.533 13.340 3.205 631 HD12 LEU 86 2HD1 LEU 86 -3.670 14.603 1.982 632 HD13 LEU 86 3HD1 LEU 86 -4.003 12.924 1.557 633 HD21 LEU 86 3HD2 LEU 86 -5.102 15.590 3.888 634 HD22 LEU 86 1HD2 LEU 86 -6.810 15.397 3.495 635 HD23 LEU 86 2HD2 LEU 86 -5.680 15.955 2.261 636 H LYS 87 H LYS 87 -5.831 10.763 3.392 637 HA LYS 87 HA LYS 87 -3.642 9.809 1.791 638 HB2 LYS 87 1HB LYS 87 -4.434 9.675 4.650 639 HB3 LYS 87 2HB LYS 87 -3.372 8.404 4.060 640 HG2 LYS 87 1HG LYS 87 -1.912 10.291 3.150 641 HG3 LYS 87 2HG LYS 87 -2.869 11.356 4.183 642 HD2 LYS 87 1HD LYS 87 -1.736 8.892 5.400 643 HD3 LYS 87 2HD LYS 87 -0.625 10.212 5.027 644 HE2 LYS 87 1HE LYS 87 -3.171 10.761 6.497 645 HE3 LYS 87 2HE LYS 87 -1.779 10.105 7.359 646 HZ1 LYS 87 3HZ LYS 87 -0.622 12.091 6.046 647 HZ2 LYS 87 1HZ LYS 87 -1.302 12.282 7.584 648 HZ3 LYS 87 2HZ LYS 87 -2.173 12.748 6.211 649 H THR 88 H THR 88 -6.425 8.312 3.417 650 HA THR 88 HA THR 88 -5.848 5.752 2.165 651 HB THR 88 HB THR 88 -7.576 4.824 3.512 652 HG1 THR 88 HG1 THR 88 -9.248 5.962 4.173 653 HG21 THR 88 3HG2 THR 88 -6.134 6.959 5.086 654 HG22 THR 88 1HG2 THR 88 -5.553 5.328 4.756 655 HG23 THR 88 2HG2 THR 88 -6.963 5.570 5.787 656 H GLY 89 H GLY 89 -8.267 8.322 2.011 657 HA2 GLY 89 1HA GLY 89 -9.518 8.919 0.128 658 HA3 GLY 89 2HA GLY 89 -9.018 7.425 -0.650 659 H LYS 90 H LYS 90 -10.227 7.153 2.548 660 HA LYS 90 HA LYS 90 -12.942 6.584 1.631 661 HB2 LYS 90 1HB LYS 90 -11.128 4.591 2.987 662 HB3 LYS 90 2HB LYS 90 -12.878 4.419 2.961 663 HG2 LYS 90 1HG LYS 90 -12.366 3.156 1.151 664 HG3 LYS 90 2HG LYS 90 -12.498 4.728 0.358 665 HD2 LYS 90 1HD LYS 90 -10.482 4.048 -0.475 666 HD3 LYS 90 2HD LYS 90 -9.932 4.858 0.993 667 HE2 LYS 90 1HE LYS 90 -8.791 2.840 1.059 668 HE3 LYS 90 2HE LYS 90 -10.188 2.532 2.090 669 HZ1 LYS 90 3HZ LYS 90 -10.777 1.910 -0.614 670 HZ2 LYS 90 1HZ LYS 90 -10.842 0.911 0.750 671 HZ3 LYS 90 2HZ LYS 90 -9.395 1.074 -0.109 672 H LEU 91 H LEU 91 -14.512 6.820 3.199 673 HA LEU 91 HA LEU 91 -13.930 8.533 5.357 674 HB2 LEU 91 1HB LEU 91 -16.201 8.518 5.818 675 HB3 LEU 91 2HB LEU 91 -16.133 8.185 4.089 676 HG LEU 91 HG LEU 91 -16.548 6.109 6.240 677 HD11 LEU 91 1HD1 LEU 91 -18.360 7.991 5.305 678 HD12 LEU 91 2HD1 LEU 91 -18.736 6.489 6.149 679 HD13 LEU 91 3HD1 LEU 91 -18.726 6.531 4.386 680 HD21 LEU 91 3HD2 LEU 91 -15.454 5.215 4.261 681 HD22 LEU 91 1HD2 LEU 91 -16.694 5.934 3.232 682 HD23 LEU 91 2HD2 LEU 91 -17.121 4.645 4.359 683 H ILE 92 H ILE 92 -13.486 8.175 7.455 684 HA ILE 92 HA ILE 92 -13.469 5.376 8.380 685 HB ILE 92 HB ILE 92 -11.621 6.112 9.937 686 HG12 ILE 92 1HG1 ILE 92 -11.304 8.406 8.002 687 HG13 ILE 92 2HG1 ILE 92 -12.133 8.581 9.545 688 HG21 ILE 92 1HG2 ILE 92 -11.558 5.270 7.265 689 HG22 ILE 92 2HG2 ILE 92 -10.297 6.492 7.421 690 HG23 ILE 92 3HG2 ILE 92 -10.296 5.084 8.482 691 HD11 ILE 92 3HD1 ILE 92 -9.245 7.958 9.042 692 HD12 ILE 92 1HD1 ILE 92 -9.944 9.324 9.911 693 HD13 ILE 92 2HD1 ILE 92 -10.007 7.706 10.612 Start of MODEL 12 1 H1 GLY 1 H GLY 1 1.979 2.449 1.621 2 HA2 GLY 1 1HA GLY 1 4.008 1.319 0.000 3 HA3 GLY 1 2HA GLY 1 2.503 2.022 -0.575 4 HA PRO 2 HA PRO 2 6.167 4.660 -1.855 5 HB2 PRO 2 1HB PRO 2 5.720 4.499 -4.527 6 HB3 PRO 2 2HB PRO 2 6.719 3.335 -3.649 7 HG2 PRO 2 1HG PRO 2 3.865 3.103 -4.522 8 HG3 PRO 2 2HG PRO 2 5.161 1.895 -4.600 9 HD2 PRO 2 1HD PRO 2 3.269 1.878 -2.663 10 HD3 PRO 2 2HD PRO 2 4.930 1.319 -2.380 11 H GLY 3 H GLY 3 2.828 4.468 -3.014 12 HA2 GLY 3 1HA GLY 3 2.680 7.399 -2.826 13 HA3 GLY 3 2HA GLY 3 2.137 6.608 -4.298 14 H SER 4 H SER 4 1.534 6.970 -0.851 15 HA SER 4 HA SER 4 -1.014 5.593 -1.042 16 HB2 SER 4 1HB SER 4 0.374 6.973 1.265 17 HB3 SER 4 2HB SER 4 -1.190 6.170 1.394 18 HG SER 4 HG SER 4 1.319 5.100 1.316 19 H MET 5 H MET 5 -1.606 7.292 -2.737 20 HA MET 5 HA MET 5 -3.078 9.433 -1.369 21 HB2 MET 5 1HB MET 5 -1.104 9.693 -3.576 22 HB3 MET 5 2HB MET 5 -2.549 10.692 -3.671 23 HG2 MET 5 1HG MET 5 -2.000 11.407 -1.286 24 HG3 MET 5 2HG MET 5 -0.417 10.685 -1.567 25 HE1 MET 5 3HE MET 5 1.234 13.776 -2.106 26 HE2 MET 5 1HE MET 5 1.099 12.157 -1.419 27 HE3 MET 5 2HE MET 5 1.622 12.364 -3.091 28 H VAL 6 H VAL 6 -4.689 10.460 -3.004 29 HA VAL 6 HA VAL 6 -5.728 8.519 -4.920 30 HB VAL 6 HB VAL 6 -8.058 8.857 -3.968 31 HG11 VAL 6 1HG1 VAL 6 -6.290 6.888 -3.599 32 HG12 VAL 6 2HG1 VAL 6 -6.506 7.389 -1.920 33 HG13 VAL 6 3HG1 VAL 6 -7.898 6.876 -2.876 34 HG21 VAL 6 3HG2 VAL 6 -6.862 9.337 -1.307 35 HG22 VAL 6 1HG2 VAL 6 -6.955 10.722 -2.396 36 HG23 VAL 6 2HG2 VAL 6 -8.420 9.842 -1.959 37 H ASP 7 H ASP 7 -6.964 9.416 -6.550 38 HA ASP 7 HA ASP 7 -6.494 12.101 -7.204 39 HB2 ASP 7 1HB ASP 7 -8.291 9.966 -8.291 40 HB3 ASP 7 2HB ASP 7 -8.465 11.620 -8.872 41 H VAL 8 H VAL 8 -7.408 13.903 -6.494 42 HA VAL 8 HA VAL 8 -10.055 13.727 -5.213 43 HB VAL 8 HB VAL 8 -7.937 15.839 -4.789 44 HG11 VAL 8 1HG1 VAL 8 -9.367 16.386 -2.800 45 HG12 VAL 8 2HG1 VAL 8 -10.093 16.755 -4.365 46 HG13 VAL 8 3HG1 VAL 8 -10.596 15.317 -3.475 47 HG21 VAL 8 3HG2 VAL 8 -7.700 14.762 -2.542 48 HG22 VAL 8 1HG2 VAL 8 -8.676 13.423 -3.147 49 HG23 VAL 8 2HG2 VAL 8 -7.116 13.783 -3.888 50 H ILE 9 H ILE 9 -11.706 14.743 -6.141 51 HA ILE 9 HA ILE 9 -11.120 16.840 -8.128 52 HB ILE 9 HB ILE 9 -13.500 14.991 -8.213 53 HG12 ILE 9 1HG1 ILE 9 -10.904 14.818 -9.759 54 HG13 ILE 9 2HG1 ILE 9 -11.440 13.692 -8.517 55 HG21 ILE 9 1HG2 ILE 9 -12.330 16.876 -10.256 56 HG22 ILE 9 2HG2 ILE 9 -13.721 15.822 -10.505 57 HG23 ILE 9 3HG2 ILE 9 -13.809 17.133 -9.329 58 HD11 ILE 9 3HD1 ILE 9 -13.394 13.148 -9.953 59 HD12 ILE 9 1HD1 ILE 9 -12.681 14.151 -11.215 60 HD13 ILE 9 2HD1 ILE 9 -11.834 12.711 -10.650 61 H ILE 10 H ILE 10 -12.077 18.755 -7.843 62 HA ILE 10 HA ILE 10 -14.258 18.928 -5.866 63 HB ILE 10 HB ILE 10 -12.218 19.948 -4.995 64 HG12 ILE 10 1HG1 ILE 10 -13.797 22.363 -5.668 65 HG13 ILE 10 2HG1 ILE 10 -14.694 21.030 -4.950 66 HG21 ILE 10 1HG2 ILE 10 -12.349 21.752 -7.408 67 HG22 ILE 10 2HG2 ILE 10 -11.206 21.884 -6.072 68 HG23 ILE 10 3HG2 ILE 10 -11.159 20.479 -7.137 69 HD11 ILE 10 3HD1 ILE 10 -14.096 22.158 -3.074 70 HD12 ILE 10 1HD1 ILE 10 -12.706 21.084 -3.223 71 HD13 ILE 10 2HD1 ILE 10 -12.592 22.755 -3.776 72 H TYR 11 H TYR 11 -16.094 19.889 -6.487 73 HA TYR 11 HA TYR 11 -16.154 21.104 -9.163 74 HB2 TYR 11 1HB TYR 11 -17.920 19.293 -7.742 75 HB3 TYR 11 2HB TYR 11 -18.789 20.710 -8.321 76 HD1 TYR 11 HD2 TYR 11 -15.916 18.921 -9.875 77 HD2 TYR 11 HD1 TYR 11 -20.042 19.927 -10.125 78 HE1 TYR 11 HE2 TYR 11 -16.014 17.935 -12.126 79 HE2 TYR 11 HE1 TYR 11 -20.152 18.942 -12.377 80 HH TYR 11 HH TYR 11 -18.332 16.888 -13.575 81 H THR 12 H THR 12 -16.328 23.231 -9.287 82 HA THR 12 HA THR 12 -17.941 24.674 -7.324 83 HB THR 12 HB THR 12 -16.290 26.296 -6.802 84 HG1 THR 12 HG1 THR 12 -14.089 25.906 -7.806 85 HG21 THR 12 3HG2 THR 12 -16.090 24.165 -5.568 86 HG22 THR 12 1HG2 THR 12 -14.545 24.999 -5.722 87 HG23 THR 12 2HG2 THR 12 -14.904 23.612 -6.750 88 H ARG 13 H ARG 13 -18.555 26.813 -8.018 89 HA ARG 13 HA ARG 13 -18.577 27.044 -10.948 90 HB2 ARG 13 1HB ARG 13 -20.569 28.464 -10.639 91 HB3 ARG 13 2HB ARG 13 -20.785 26.861 -9.949 92 HG2 ARG 13 1HG ARG 13 -20.621 27.655 -7.756 93 HG3 ARG 13 2HG ARG 13 -19.911 29.186 -8.273 94 HD2 ARG 13 1HD ARG 13 -22.339 29.257 -7.560 95 HD3 ARG 13 2HD ARG 13 -21.964 29.964 -9.131 96 HE ARG 13 HE ARG 13 -22.782 27.203 -9.236 97 HH11 ARG 13 1HH1 ARG 13 -23.826 30.524 -9.264 98 HH12 ARG 13 2HH1 ARG 13 -25.319 30.184 -10.075 99 HH21 ARG 13 1HH2 ARG 13 -24.744 26.743 -10.304 100 HH22 ARG 13 2HH2 ARG 13 -25.841 28.033 -10.665 101 HA PRO 14 HA PRO 14 -16.190 30.727 -10.898 102 HB2 PRO 14 1HB PRO 14 -17.283 32.090 -12.976 103 HB3 PRO 14 2HB PRO 14 -16.263 30.663 -13.194 104 HG2 PRO 14 1HG PRO 14 -19.248 30.882 -13.235 105 HG3 PRO 14 2HG PRO 14 -18.179 29.967 -14.314 106 HD2 PRO 14 1HD PRO 14 -19.536 28.806 -12.279 107 HD3 PRO 14 2HD PRO 14 -17.944 28.232 -12.814 108 H GLY 15 H GLY 15 -17.407 31.188 -8.767 109 HA2 GLY 15 1HA GLY 15 -17.800 33.646 -8.099 110 HA3 GLY 15 2HA GLY 15 -19.246 33.465 -9.082 111 H CYS 16 H CYS 16 -17.576 31.767 -6.426 112 HA CYS 16 HA CYS 16 -20.035 31.797 -4.879 113 HB2 CYS 16 1HB CYS 16 -19.817 29.316 -4.426 114 HB3 CYS 16 2HB CYS 16 -20.383 29.746 -6.037 115 HA PRO 17 HA PRO 17 -16.928 32.539 -1.799 116 HB2 PRO 17 1HB PRO 17 -18.617 32.641 0.324 117 HB3 PRO 17 2HB PRO 17 -18.453 33.964 -0.838 118 HG2 PRO 17 1HG PRO 17 -20.546 31.829 -0.682 119 HG3 PRO 17 2HG PRO 17 -20.738 33.562 -1.001 120 HD2 PRO 17 1HD PRO 17 -20.766 31.706 -2.972 121 HD3 PRO 17 2HD PRO 17 -20.139 33.349 -3.216 122 H TYR 18 H TYR 18 -19.507 30.171 -1.124 123 HA TYR 18 HA TYR 18 -18.301 28.750 0.905 124 HB2 TYR 18 1HB TYR 18 -20.031 27.660 -1.325 125 HB3 TYR 18 2HB TYR 18 -19.689 26.833 0.191 126 HD1 TYR 18 HD1 TYR 18 -20.561 27.782 2.331 127 HD2 TYR 18 HD2 TYR 18 -21.708 29.336 -1.460 128 HE1 TYR 18 HE1 TYR 18 -22.492 28.889 3.376 129 HE2 TYR 18 HE2 TYR 18 -23.642 30.449 -0.425 130 HH TYR 18 HH TYR 18 -24.995 29.736 2.181 131 H CYS 19 H CYS 19 -17.762 28.532 -2.562 132 HA CYS 19 HA CYS 19 -16.130 26.199 -2.460 133 HB2 CYS 19 1HB CYS 19 -16.001 28.289 -4.624 134 HB3 CYS 19 2HB CYS 19 -15.729 26.555 -4.758 135 H ALA 20 H ALA 20 -15.383 29.663 -2.806 136 HA ALA 20 HA ALA 20 -12.637 29.543 -2.946 137 HB1 ALA 20 1HB ALA 20 -14.034 31.594 -3.166 138 HB2 ALA 20 2HB ALA 20 -14.174 31.630 -1.408 139 HB3 ALA 20 3HB ALA 20 -12.594 31.807 -2.171 140 H ARG 21 H ARG 21 -14.672 29.521 -0.042 141 HA ARG 21 HA ARG 21 -12.575 29.572 1.836 142 HB2 ARG 21 1HB ARG 21 -15.467 28.996 1.867 143 HB3 ARG 21 2HB ARG 21 -14.541 28.229 3.150 144 HG2 ARG 21 1HG ARG 21 -14.516 31.177 2.540 145 HG3 ARG 21 2HG ARG 21 -15.487 30.410 3.798 146 HD2 ARG 21 1HD ARG 21 -12.634 29.733 3.870 147 HD3 ARG 21 2HD ARG 21 -12.990 31.435 4.159 148 HE ARG 21 HE ARG 21 -14.605 29.612 5.696 149 HH11 ARG 21 1HH1 ARG 21 -11.630 31.416 5.561 150 HH12 ARG 21 2HH1 ARG 21 -11.417 31.443 7.280 151 HH21 ARG 21 1HH2 ARG 21 -14.335 29.641 7.961 152 HH22 ARG 21 2HH2 ARG 21 -12.955 30.432 8.644 153 H ALA 22 H ALA 22 -14.456 26.845 0.532 154 HA ALA 22 HA ALA 22 -13.200 24.788 1.909 155 HB1 ALA 22 1HB ALA 22 -14.810 23.721 0.813 156 HB2 ALA 22 2HB ALA 22 -14.956 25.030 -0.361 157 HB3 ALA 22 3HB ALA 22 -13.774 23.746 -0.615 158 H LYS 23 H LYS 23 -12.492 25.822 -1.436 159 HA LYS 23 HA LYS 23 -10.250 24.266 -1.861 160 HB2 LYS 23 1HB LYS 23 -10.598 27.082 -2.897 161 HB3 LYS 23 2HB LYS 23 -9.668 25.784 -3.635 162 HG2 LYS 23 1HG LYS 23 -12.186 24.702 -3.444 163 HG3 LYS 23 2HG LYS 23 -12.503 26.396 -3.827 164 HD2 LYS 23 1HD LYS 23 -10.670 24.554 -5.363 165 HD3 LYS 23 2HD LYS 23 -12.298 25.030 -5.853 166 HE2 LYS 23 1HE LYS 23 -11.052 27.439 -5.365 167 HE3 LYS 23 2HE LYS 23 -9.774 26.465 -6.091 168 HZ1 LYS 23 3HZ LYS 23 -10.688 26.820 -8.059 169 HZ2 LYS 23 1HZ LYS 23 -11.937 27.720 -7.358 170 HZ3 LYS 23 2HZ LYS 23 -12.110 26.050 -7.561 171 H ALA 24 H ALA 24 -10.398 27.560 -0.531 172 HA ALA 24 HA ALA 24 -7.681 28.014 -0.205 173 HB1 ALA 24 1HB ALA 24 -9.911 28.950 1.597 174 HB2 ALA 24 2HB ALA 24 -8.299 29.656 1.481 175 HB3 ALA 24 3HB ALA 24 -9.397 29.735 0.103 176 H LEU 25 H LEU 25 -9.954 26.362 1.947 177 HA LEU 25 HA LEU 25 -8.116 25.970 4.070 178 HB2 LEU 25 1HB LEU 25 -10.491 25.858 4.456 179 HB3 LEU 25 2HB LEU 25 -10.646 24.510 3.331 180 HG LEU 25 HG LEU 25 -9.142 23.219 4.947 181 HD11 LEU 25 1HD1 LEU 25 -9.582 25.736 6.432 182 HD12 LEU 25 2HD1 LEU 25 -8.222 24.615 6.471 183 HD13 LEU 25 3HD1 LEU 25 -9.703 24.235 7.351 184 HD21 LEU 25 3HD2 LEU 25 -11.438 23.505 6.579 185 HD22 LEU 25 1HD2 LEU 25 -11.086 22.250 5.391 186 HD23 LEU 25 2HD2 LEU 25 -11.944 23.711 4.901 187 H LEU 26 H LEU 26 -9.064 24.014 1.286 188 HA LEU 26 HA LEU 26 -7.644 21.684 2.005 189 HB2 LEU 26 1HB LEU 26 -8.914 22.756 -0.435 190 HB3 LEU 26 2HB LEU 26 -7.665 21.537 -0.681 191 HG LEU 26 HG LEU 26 -10.166 21.188 0.972 192 HD11 LEU 26 1HD1 LEU 26 -11.202 20.467 -0.854 193 HD12 LEU 26 2HD1 LEU 26 -9.841 19.438 -1.298 194 HD13 LEU 26 3HD1 LEU 26 -9.864 21.131 -1.792 195 HD21 LEU 26 3HD2 LEU 26 -9.434 18.769 0.882 196 HD22 LEU 26 1HD2 LEU 26 -8.487 19.829 1.926 197 HD23 LEU 26 2HD2 LEU 26 -7.861 19.360 0.345 198 H ALA 27 H ALA 27 -6.714 24.627 0.350 199 HA ALA 27 HA ALA 27 -4.194 23.654 -0.581 200 HB1 ALA 27 1HB ALA 27 -5.345 25.532 -1.656 201 HB2 ALA 27 2HB ALA 27 -5.118 26.499 -0.198 202 HB3 ALA 27 3HB ALA 27 -3.719 25.973 -1.133 203 H ARG 28 H ARG 28 -5.357 25.015 2.388 204 HA ARG 28 HA ARG 28 -3.079 26.092 3.511 205 HB2 ARG 28 1HB ARG 28 -5.503 25.879 4.439 206 HB3 ARG 28 2HB ARG 28 -4.919 24.380 5.150 207 HG2 ARG 28 1HG ARG 28 -3.395 25.489 6.528 208 HG3 ARG 28 2HG ARG 28 -3.484 26.974 5.580 209 HD2 ARG 28 1HD ARG 28 -5.994 26.938 6.282 210 HD3 ARG 28 2HD ARG 28 -5.427 25.865 7.561 211 HE ARG 28 HE ARG 28 -3.751 28.040 7.633 212 HH11 ARG 28 1HH1 ARG 28 -7.177 27.498 7.928 213 HH12 ARG 28 2HH1 ARG 28 -7.431 28.845 8.988 214 HH21 ARG 28 1HH2 ARG 28 -4.072 29.816 9.027 215 HH22 ARG 28 2HH2 ARG 28 -5.664 30.164 9.611 216 H LYS 29 H LYS 29 -4.170 22.706 3.706 217 HA LYS 29 HA LYS 29 -1.750 21.851 4.992 218 HB2 LYS 29 1HB LYS 29 -2.680 19.588 4.745 219 HB3 LYS 29 2HB LYS 29 -3.851 20.701 5.440 220 HG2 LYS 29 1HG LYS 29 -4.619 20.967 2.951 221 HG3 LYS 29 2HG LYS 29 -3.825 19.402 2.762 222 HD2 LYS 29 1HD LYS 29 -5.996 20.047 4.758 223 HD3 LYS 29 2HD LYS 29 -6.215 19.153 3.252 224 HE2 LYS 29 1HE LYS 29 -5.972 17.401 4.688 225 HE3 LYS 29 2HE LYS 29 -4.278 17.671 4.282 226 HZ1 LYS 29 3HZ LYS 29 -5.232 17.554 6.781 227 HZ2 LYS 29 1HZ LYS 29 -5.255 19.225 6.516 228 HZ3 LYS 29 2HZ LYS 29 -3.811 18.362 6.346 229 H GLY 30 H GLY 30 -2.703 22.412 1.770 230 HA2 GLY 30 1HA GLY 30 -1.210 22.418 -0.053 231 HA3 GLY 30 2HA GLY 30 -0.163 21.317 0.831 232 H ALA 31 H ALA 31 -3.491 20.513 0.797 233 HA ALA 31 HA ALA 31 -3.001 18.061 -0.563 234 HB1 ALA 31 1HB ALA 31 -5.445 17.728 -0.354 235 HB2 ALA 31 2HB ALA 31 -4.669 18.159 1.170 236 HB3 ALA 31 3HB ALA 31 -5.585 19.370 0.273 237 H GLU 32 H GLU 32 -2.749 17.861 -2.683 238 HA GLU 32 HA GLU 32 -3.623 19.872 -4.525 239 HB2 GLU 32 1HB GLU 32 -2.408 17.141 -4.968 240 HB3 GLU 32 2HB GLU 32 -2.732 18.298 -6.252 241 HG2 GLU 32 1HG GLU 32 -1.042 19.704 -5.606 242 HG3 GLU 32 2HG GLU 32 -1.070 19.146 -3.934 243 H PHE 33 H PHE 33 -5.381 19.911 -5.805 244 HA PHE 33 HA PHE 33 -7.004 17.515 -6.133 245 HB2 PHE 33 1HB PHE 33 -9.074 18.734 -5.472 246 HB3 PHE 33 2HB PHE 33 -7.960 18.479 -4.132 247 HD1 PHE 33 HD1 PHE 33 -9.165 20.989 -6.566 248 HD2 PHE 33 HD2 PHE 33 -7.100 20.287 -2.911 249 HE1 PHE 33 HE1 PHE 33 -9.198 23.402 -6.088 250 HE2 PHE 33 HE2 PHE 33 -7.130 22.699 -2.427 251 HZ PHE 33 HZ PHE 33 -8.181 24.260 -4.016 252 H ASN 34 H ASN 34 -8.455 17.615 -7.894 253 HA ASN 34 HA ASN 34 -7.630 19.506 -9.940 254 HB2 ASN 34 1HB ASN 34 -7.977 16.950 -10.240 255 HB3 ASN 34 2HB ASN 34 -9.690 17.350 -10.327 256 HD21 ASN 34 2HD2 ASN 34 -10.323 17.327 -12.352 257 HD22 ASN 34 1HD2 ASN 34 -9.464 17.988 -13.697 258 H GLU 35 H GLU 35 -8.677 21.340 -10.286 259 HA GLU 35 HA GLU 35 -11.305 21.765 -9.137 260 HB2 GLU 35 1HB GLU 35 -9.566 23.502 -8.952 261 HB3 GLU 35 2HB GLU 35 -9.530 23.647 -10.704 262 HG2 GLU 35 1HG GLU 35 -12.116 24.095 -10.341 263 HG3 GLU 35 2HG GLU 35 -11.541 24.613 -8.757 264 H ILE 36 H ILE 36 -13.157 21.566 -10.201 265 HA ILE 36 HA ILE 36 -13.150 21.801 -13.131 266 HB ILE 36 HB ILE 36 -14.670 19.679 -11.613 267 HG12 ILE 36 1HG1 ILE 36 -12.220 19.426 -13.372 268 HG13 ILE 36 2HG1 ILE 36 -12.254 19.224 -11.623 269 HG21 ILE 36 1HG2 ILE 36 -15.835 20.390 -13.600 270 HG22 ILE 36 2HG2 ILE 36 -14.367 20.225 -14.561 271 HG23 ILE 36 3HG2 ILE 36 -15.136 18.794 -13.876 272 HD11 ILE 36 3HD1 ILE 36 -13.952 17.363 -12.067 273 HD12 ILE 36 1HD1 ILE 36 -13.401 17.449 -13.740 274 HD13 ILE 36 2HD1 ILE 36 -12.259 17.056 -12.454 275 H ASP 37 H ASP 37 -15.059 22.573 -14.058 276 HA ASP 37 HA ASP 37 -16.721 24.116 -12.236 277 HB2 ASP 37 1HB ASP 37 -17.661 25.036 -14.419 278 HB3 ASP 37 2HB ASP 37 -15.963 25.374 -14.094 279 H ALA 38 H ALA 38 -18.986 24.010 -12.181 280 HA ALA 38 HA ALA 38 -20.093 21.457 -13.150 281 HB1 ALA 38 1HB ALA 38 -21.508 22.892 -10.996 282 HB2 ALA 38 2HB ALA 38 -21.199 21.167 -11.203 283 HB3 ALA 38 3HB ALA 38 -19.931 22.222 -10.579 284 H SER 39 H SER 39 -20.774 24.896 -12.682 285 HA SER 39 HA SER 39 -23.356 24.863 -13.838 286 HB2 SER 39 1HB SER 39 -22.988 26.767 -12.565 287 HB3 SER 39 2HB SER 39 -21.354 26.994 -13.190 288 HG SER 39 HG SER 39 -22.246 28.376 -14.488 289 H ALA 40 H ALA 40 -20.284 24.532 -15.199 290 HA ALA 40 HA ALA 40 -20.399 25.842 -17.622 291 HB1 ALA 40 1HB ALA 40 -19.337 23.111 -17.789 292 HB2 ALA 40 2HB ALA 40 -18.566 24.656 -18.148 293 HB3 ALA 40 3HB ALA 40 -18.672 24.089 -16.481 294 H THR 41 H THR 41 -21.851 22.746 -16.723 295 HA THR 41 HA THR 41 -23.472 22.885 -19.177 296 HB THR 41 HB THR 41 -23.398 20.207 -18.734 297 HG1 THR 41 HG1 THR 41 -20.786 21.197 -18.155 298 HG21 THR 41 3HG2 THR 41 -21.281 21.565 -20.384 299 HG22 THR 41 1HG2 THR 41 -22.983 21.590 -20.843 300 HG23 THR 41 2HG2 THR 41 -22.128 20.053 -20.712 301 HA PRO 42 HA PRO 42 -27.012 22.285 -16.653 302 HB2 PRO 42 1HB PRO 42 -28.580 20.729 -18.232 303 HB3 PRO 42 2HB PRO 42 -28.276 22.438 -18.566 304 HG2 PRO 42 1HG PRO 42 -26.991 20.016 -19.767 305 HG3 PRO 42 2HG PRO 42 -27.547 21.499 -20.564 306 HD2 PRO 42 1HD PRO 42 -24.944 21.053 -19.970 307 HD3 PRO 42 2HD PRO 42 -25.659 22.678 -19.968 308 H GLU 43 H GLU 43 -25.869 19.278 -18.180 309 HA GLU 43 HA GLU 43 -27.102 17.543 -16.311 310 HB2 GLU 43 1HB GLU 43 -26.484 16.666 -18.448 311 HB3 GLU 43 2HB GLU 43 -24.809 17.154 -18.232 312 HG2 GLU 43 1HG GLU 43 -24.522 15.515 -16.477 313 HG3 GLU 43 2HG GLU 43 -26.221 15.062 -16.593 314 H LEU 44 H LEU 44 -23.756 18.711 -16.625 315 HA LEU 44 HA LEU 44 -22.743 17.389 -14.361 316 HB2 LEU 44 1HB LEU 44 -21.879 19.795 -15.919 317 HB3 LEU 44 2HB LEU 44 -21.023 19.318 -14.455 318 HG LEU 44 HG LEU 44 -21.345 17.640 -16.942 319 HD11 LEU 44 1HD1 LEU 44 -18.724 18.591 -15.923 320 HD12 LEU 44 2HD1 LEU 44 -19.746 19.738 -16.789 321 HD13 LEU 44 3HD1 LEU 44 -19.240 18.241 -17.572 322 HD21 LEU 44 3HD2 LEU 44 -19.312 16.642 -15.303 323 HD22 LEU 44 1HD2 LEU 44 -20.880 15.906 -15.635 324 HD23 LEU 44 2HD2 LEU 44 -20.677 16.953 -14.229 325 H ARG 45 H ARG 45 -24.554 20.333 -14.725 326 HA ARG 45 HA ARG 45 -23.981 21.261 -12.045 327 HB2 ARG 45 1HB ARG 45 -24.337 22.888 -13.836 328 HB3 ARG 45 2HB ARG 45 -25.954 22.254 -14.109 329 HG2 ARG 45 1HG ARG 45 -26.606 22.963 -11.856 330 HG3 ARG 45 2HG ARG 45 -24.987 23.621 -11.607 331 HD2 ARG 45 1HD ARG 45 -26.251 25.477 -12.234 332 HD3 ARG 45 2HD ARG 45 -25.437 24.999 -13.724 333 HE ARG 45 HE ARG 45 -27.896 23.705 -13.675 334 HH11 ARG 45 1HH1 ARG 45 -26.672 26.962 -13.801 335 HH12 ARG 45 2HH1 ARG 45 -28.032 27.578 -14.681 336 HH21 ARG 45 1HH2 ARG 45 -29.691 24.503 -14.834 337 HH22 ARG 45 2HH2 ARG 45 -29.749 26.178 -15.267 338 H ALA 46 H ALA 46 -26.548 19.575 -13.741 339 HA ALA 46 HA ALA 46 -28.507 19.754 -11.705 340 HB1 ALA 46 1HB ALA 46 -29.061 17.414 -13.059 341 HB2 ALA 46 2HB ALA 46 -29.648 19.025 -13.475 342 HB3 ALA 46 3HB ALA 46 -28.197 18.388 -14.250 343 H GLU 47 H GLU 47 -26.227 17.156 -12.571 344 HA GLU 47 HA GLU 47 -26.922 15.305 -10.642 345 HB2 GLU 47 1HB GLU 47 -24.580 14.480 -10.830 346 HB3 GLU 47 2HB GLU 47 -25.363 14.733 -12.383 347 HG2 GLU 47 1HG GLU 47 -24.218 16.965 -12.480 348 HG3 GLU 47 2HG GLU 47 -23.294 16.466 -11.064 349 H MET 48 H MET 48 -25.008 18.218 -10.332 350 HA MET 48 HA MET 48 -23.860 17.689 -7.815 351 HB2 MET 48 1HB MET 48 -22.906 19.467 -9.014 352 HB3 MET 48 2HB MET 48 -24.467 20.214 -9.327 353 HG2 MET 48 1HG MET 48 -23.755 19.989 -6.492 354 HG3 MET 48 2HG MET 48 -22.706 21.036 -7.446 355 HE1 MET 48 3HE MET 48 -25.338 20.589 -5.360 356 HE2 MET 48 1HE MET 48 -25.379 22.316 -5.005 357 HE3 MET 48 2HE MET 48 -26.745 21.550 -5.815 358 H GLN 49 H GLN 49 -26.930 19.157 -8.760 359 HA GLN 49 HA GLN 49 -27.676 19.800 -6.062 360 HB2 GLN 49 1HB GLN 49 -29.566 19.616 -8.395 361 HB3 GLN 49 2HB GLN 49 -29.689 20.635 -6.967 362 HG2 GLN 49 1HG GLN 49 -27.670 21.864 -7.767 363 HG3 GLN 49 2HG GLN 49 -27.769 20.933 -9.260 364 HE21 GLN 49 2HE2 GLN 49 -27.957 23.778 -8.957 365 HE22 GLN 49 1HE2 GLN 49 -29.514 24.247 -9.542 366 H GLU 50 H GLU 50 -27.809 17.015 -8.033 367 HA GLU 50 HA GLU 50 -30.090 15.779 -6.849 368 HB2 GLU 50 1HB GLU 50 -29.162 15.167 -9.082 369 HB3 GLU 50 2HB GLU 50 -27.769 14.465 -8.271 370 HG2 GLU 50 1HG GLU 50 -29.271 12.894 -7.111 371 HG3 GLU 50 2HG GLU 50 -30.628 13.564 -8.015 372 H ARG 51 H ARG 51 -26.842 16.222 -5.870 373 HA ARG 51 HA ARG 51 -27.074 14.101 -3.847 374 HB2 ARG 51 1HB ARG 51 -24.606 15.652 -4.641 375 HB3 ARG 51 2HB ARG 51 -24.674 14.239 -3.597 376 HG2 ARG 51 1HG ARG 51 -25.172 12.805 -5.391 377 HG3 ARG 51 2HG ARG 51 -25.564 14.152 -6.461 378 HD2 ARG 51 1HD ARG 51 -23.384 14.609 -6.910 379 HD3 ARG 51 2HD ARG 51 -22.836 14.096 -5.315 380 HE ARG 51 HE ARG 51 -22.914 12.517 -7.673 381 HH11 ARG 51 1HH1 ARG 51 -23.342 12.362 -4.222 382 HH12 ARG 51 2HH1 ARG 51 -22.911 10.687 -4.112 383 HH21 ARG 51 1HH2 ARG 51 -22.344 10.312 -7.542 384 HH22 ARG 51 2HH2 ARG 51 -22.343 9.523 -6.001 385 H SER 52 H SER 52 -26.398 17.538 -4.284 386 HA SER 52 HA SER 52 -26.124 18.018 -1.455 387 HB2 SER 52 1HB SER 52 -25.281 20.019 -2.074 388 HB3 SER 52 2HB SER 52 -25.295 19.361 -3.710 389 HG SER 52 HG SER 52 -27.357 20.294 -3.990 390 H GLY 53 H GLY 53 -28.613 18.428 -3.915 391 HA2 GLY 53 1HA GLY 53 -30.881 18.742 -3.715 392 HA3 GLY 53 2HA GLY 53 -30.713 18.324 -2.016 393 H ARG 54 H ARG 54 -29.172 21.011 -3.718 394 HA ARG 54 HA ARG 54 -30.990 22.933 -2.533 395 HB2 ARG 54 1HB ARG 54 -28.060 22.857 -1.789 396 HB3 ARG 54 2HB ARG 54 -29.151 24.188 -1.427 397 HG2 ARG 54 1HG ARG 54 -30.507 22.714 -0.039 398 HG3 ARG 54 2HG ARG 54 -29.431 21.366 -0.415 399 HD2 ARG 54 1HD ARG 54 -28.560 22.038 1.593 400 HD3 ARG 54 2HD ARG 54 -27.591 23.011 0.488 401 HE ARG 54 HE ARG 54 -28.510 24.866 1.433 402 HH11 ARG 54 1HH1 ARG 54 -30.650 22.176 1.986 403 HH12 ARG 54 2HH1 ARG 54 -31.755 23.087 2.961 404 HH21 ARG 54 1HH2 ARG 54 -29.957 26.076 2.716 405 HH22 ARG 54 2HH2 ARG 54 -31.360 25.306 3.375 406 H ASN 55 H ASN 55 -30.037 25.253 -3.028 407 HA ASN 55 HA ASN 55 -30.158 25.746 -5.687 408 HB2 ASN 55 1HB ASN 55 -28.547 27.768 -5.069 409 HB3 ASN 55 2HB ASN 55 -30.204 27.698 -4.477 410 HD21 ASN 55 2HD2 ASN 55 -30.592 27.318 -2.324 411 HD22 ASN 55 1HD2 ASN 55 -29.347 27.359 -1.126 412 H THR 56 H THR 56 -27.013 25.909 -4.020 413 HA THR 56 HA THR 56 -25.687 24.139 -5.778 414 HB THR 56 HB THR 56 -24.242 26.385 -6.531 415 HG1 THR 56 HG1 THR 56 -25.907 27.797 -6.035 416 HG21 THR 56 3HG2 THR 56 -25.699 25.885 -8.746 417 HG22 THR 56 1HG2 THR 56 -26.026 24.419 -7.822 418 HG23 THR 56 2HG2 THR 56 -24.364 24.867 -8.206 419 H PHE 57 H PHE 57 -23.837 23.493 -4.849 420 HA PHE 57 HA PHE 57 -22.374 25.297 -3.090 421 HB2 PHE 57 1HB PHE 57 -22.699 24.176 -1.140 422 HB3 PHE 57 2HB PHE 57 -24.202 23.695 -1.921 423 HD1 PHE 57 HD2 PHE 57 -23.704 21.579 -3.630 424 HD2 PHE 57 HD1 PHE 57 -21.678 22.484 0.002 425 HE1 PHE 57 HE2 PHE 57 -23.065 19.214 -3.401 426 HE2 PHE 57 HE1 PHE 57 -21.035 20.121 0.236 427 HZ PHE 57 HZ PHE 57 -21.730 18.482 -1.466 428 HA PRO 58 HA PRO 58 -18.811 23.268 -4.646 429 HB2 PRO 58 1HB PRO 58 -17.157 23.249 -2.493 430 HB3 PRO 58 2HB PRO 58 -17.549 24.720 -3.390 431 HG2 PRO 58 1HG PRO 58 -18.701 23.705 -0.821 432 HG3 PRO 58 2HG PRO 58 -18.221 25.355 -1.256 433 HD2 PRO 58 1HD PRO 58 -20.800 24.531 -1.293 434 HD3 PRO 58 2HD PRO 58 -20.171 25.750 -2.420 435 H GLN 59 H GLN 59 -18.326 21.206 -5.068 436 HA GLN 59 HA GLN 59 -18.978 19.179 -3.038 437 HB2 GLN 59 1HB GLN 59 -18.605 18.684 -5.988 438 HB3 GLN 59 2HB GLN 59 -19.356 17.626 -4.800 439 HG2 GLN 59 1HG GLN 59 -21.272 18.430 -5.610 440 HG3 GLN 59 2HG GLN 59 -20.919 19.833 -4.602 441 HE21 GLN 59 2HE2 GLN 59 -20.049 21.695 -5.570 442 HE22 GLN 59 1HE2 GLN 59 -20.207 21.985 -7.265 443 H ILE 60 H ILE 60 -17.415 17.947 -2.204 444 HA ILE 60 HA ILE 60 -14.749 18.073 -3.457 445 HB ILE 60 HB ILE 60 -15.529 17.944 -0.553 446 HG12 ILE 60 1HG1 ILE 60 -13.784 19.840 -0.530 447 HG13 ILE 60 2HG1 ILE 60 -13.944 19.833 -2.283 448 HG21 ILE 60 1HG2 ILE 60 -13.854 16.292 -0.703 449 HG22 ILE 60 2HG2 ILE 60 -12.897 17.254 -1.829 450 HG23 ILE 60 3HG2 ILE 60 -13.035 17.750 -0.143 451 HD11 ILE 60 3HD1 ILE 60 -15.333 21.518 -1.025 452 HD12 ILE 60 1HD1 ILE 60 -16.195 20.499 -2.178 453 HD13 ILE 60 2HD1 ILE 60 -16.296 20.156 -0.451 454 H PHE 61 H PHE 61 -14.629 16.228 -4.614 455 HA PHE 61 HA PHE 61 -15.526 13.718 -3.422 456 HB2 PHE 61 1HB PHE 61 -14.379 14.124 -6.186 457 HB3 PHE 61 2HB PHE 61 -15.333 12.762 -5.606 458 HD1 PHE 61 HD1 PHE 61 -17.634 13.822 -4.383 459 HD2 PHE 61 HD2 PHE 61 -15.522 15.331 -7.756 460 HE1 PHE 61 HE1 PHE 61 -19.688 14.923 -5.172 461 HE2 PHE 61 HE2 PHE 61 -17.572 16.435 -8.550 462 HZ PHE 61 HZ PHE 61 -19.659 16.233 -7.257 463 H ILE 62 H ILE 62 -14.154 12.503 -2.319 464 HA ILE 62 HA ILE 62 -11.296 12.597 -3.037 465 HB ILE 62 HB ILE 62 -12.485 12.265 -0.281 466 HG12 ILE 62 1HG1 ILE 62 -10.819 14.479 -1.498 467 HG13 ILE 62 2HG1 ILE 62 -12.525 14.579 -1.077 468 HG21 ILE 62 1HG2 ILE 62 -9.606 12.231 -1.175 469 HG22 ILE 62 2HG2 ILE 62 -10.155 12.236 0.500 470 HG23 ILE 62 3HG2 ILE 62 -10.523 10.863 -0.544 471 HD11 ILE 62 3HD1 ILE 62 -11.715 13.994 1.307 472 HD12 ILE 62 1HD1 ILE 62 -10.139 14.510 0.710 473 HD13 ILE 62 2HD1 ILE 62 -11.499 15.633 0.694 474 H GLY 63 H GLY 63 -10.672 10.738 -3.907 475 HA2 GLY 63 1HA GLY 63 -10.389 8.485 -4.248 476 HA3 GLY 63 2HA GLY 63 -10.957 8.253 -2.601 477 H SER 64 H SER 64 -12.862 7.286 -2.311 478 HA SER 64 HA SER 64 -14.658 7.071 -4.639 479 HB2 SER 64 1HB SER 64 -13.556 4.925 -4.131 480 HB3 SER 64 2HB SER 64 -14.177 4.999 -2.482 481 HG SER 64 HG SER 64 -15.478 3.706 -3.877 482 H VAL 65 H VAL 65 -14.430 8.752 -2.001 483 HA VAL 65 HA VAL 65 -17.262 8.420 -1.249 484 HB VAL 65 HB VAL 65 -15.099 9.454 0.583 485 HG11 VAL 65 1HG1 VAL 65 -16.947 8.776 2.272 486 HG12 VAL 65 2HG1 VAL 65 -17.109 10.288 1.377 487 HG13 VAL 65 3HG1 VAL 65 -18.017 8.862 0.874 488 HG21 VAL 65 3HG2 VAL 65 -16.247 6.683 0.312 489 HG22 VAL 65 1HG2 VAL 65 -14.557 7.175 0.195 490 HG23 VAL 65 2HG2 VAL 65 -15.388 7.240 1.749 491 H HIS 66 H HIS 66 -18.432 10.322 -0.762 492 HA HIS 66 HA HIS 66 -17.332 12.715 -2.059 493 HB2 HIS 66 1HB HIS 66 -19.414 11.951 -3.023 494 HB3 HIS 66 2HB HIS 66 -20.182 11.917 -1.439 495 HD1 HIS 66 HD1 HIS 66 -21.978 13.546 -2.535 496 HD2 HIS 66 HD2 HIS 66 -18.156 15.114 -2.092 497 HE1 HIS 66 HE1 HIS 66 -22.238 16.034 -2.793 498 H VAL 67 H VAL 67 -16.269 13.878 -0.555 499 HA VAL 67 HA VAL 67 -16.803 14.026 2.166 500 HB VAL 67 HB VAL 67 -15.557 16.133 0.396 501 HG11 VAL 67 1HG1 VAL 67 -16.162 17.238 2.387 502 HG12 VAL 67 2HG1 VAL 67 -15.696 15.860 3.387 503 HG13 VAL 67 3HG1 VAL 67 -14.459 16.823 2.578 504 HG21 VAL 67 3HG2 VAL 67 -14.562 13.657 1.684 505 HG22 VAL 67 1HG2 VAL 67 -14.078 14.423 0.171 506 HG23 VAL 67 2HG2 VAL 67 -13.497 15.062 1.709 507 H GLY 68 H GLY 68 -17.325 16.819 0.027 508 HA2 GLY 68 1HA GLY 68 -19.951 17.307 0.131 509 HA3 GLY 68 2HA GLY 68 -19.470 17.726 1.768 510 H GLY 69 H GLY 69 -19.119 19.816 2.069 511 HA2 GLY 69 1HA GLY 69 -17.858 21.350 -0.107 512 HA3 GLY 69 2HA GLY 69 -19.324 21.951 0.653 513 H CYS 70 H CYS 70 -18.375 23.825 1.430 514 HA CYS 70 HA CYS 70 -15.950 23.965 2.826 515 HB2 CYS 70 1HB CYS 70 -16.956 25.969 1.943 516 HB3 CYS 70 2HB CYS 70 -18.392 25.742 2.934 517 HG CYS 70 HG CYS 70 -17.562 27.073 4.964 518 H ASP 71 H ASP 71 -19.272 23.965 4.126 519 HA ASP 71 HA ASP 71 -18.666 23.908 6.818 520 HB2 ASP 71 1HB ASP 71 -20.938 24.212 6.128 521 HB3 ASP 71 2HB ASP 71 -20.963 22.648 5.317 522 H ASP 72 H ASP 72 -19.110 21.135 4.637 523 HA ASP 72 HA ASP 72 -18.633 19.137 6.554 524 HB2 ASP 72 1HB ASP 72 -18.075 18.997 3.584 525 HB3 ASP 72 2HB ASP 72 -18.320 17.633 4.671 526 H LEU 73 H LEU 73 -16.433 20.549 4.132 527 HA LEU 73 HA LEU 73 -14.137 19.154 4.791 528 HB2 LEU 73 1HB LEU 73 -14.573 20.825 2.893 529 HB3 LEU 73 2HB LEU 73 -14.089 22.062 4.052 530 HG LEU 73 HG LEU 73 -11.930 20.630 4.283 531 HD11 LEU 73 1HD1 LEU 73 -12.855 18.742 2.951 532 HD12 LEU 73 2HD1 LEU 73 -11.318 19.362 2.349 533 HD13 LEU 73 3HD1 LEU 73 -12.821 19.788 1.531 534 HD21 LEU 73 3HD2 LEU 73 -12.072 21.951 1.630 535 HD22 LEU 73 1HD2 LEU 73 -10.892 22.134 2.929 536 HD23 LEU 73 2HD2 LEU 73 -12.467 22.920 3.051 537 H TYR 74 H TYR 74 -15.309 22.225 6.141 538 HA TYR 74 HA TYR 74 -13.148 22.555 7.948 539 HB2 TYR 74 1HB TYR 74 -15.806 23.821 7.534 540 HB3 TYR 74 2HB TYR 74 -15.056 24.029 9.113 541 HD1 TYR 74 HD2 TYR 74 -14.647 24.655 5.496 542 HD2 TYR 74 HD1 TYR 74 -13.194 25.484 9.409 543 HE1 TYR 74 HE2 TYR 74 -13.264 26.476 4.591 544 HE2 TYR 74 HE1 TYR 74 -11.808 27.308 8.514 545 HH TYR 74 HH TYR 74 -10.761 27.881 6.243 546 H ALA 75 H ALA 75 -16.178 20.840 8.094 547 HA ALA 75 HA ALA 75 -16.184 20.474 10.933 548 HB1 ALA 75 1HB ALA 75 -17.722 19.216 8.680 549 HB2 ALA 75 2HB ALA 75 -17.903 18.683 10.352 550 HB3 ALA 75 3HB ALA 75 -18.292 20.345 9.910 551 H LEU 76 H LEU 76 -14.881 18.736 8.192 552 HA LEU 76 HA LEU 76 -14.295 16.346 9.678 553 HB2 LEU 76 1HB LEU 76 -13.724 17.347 6.929 554 HB3 LEU 76 2HB LEU 76 -12.789 15.992 7.557 555 HG LEU 76 HG LEU 76 -15.021 15.680 6.131 556 HD11 LEU 76 1HD1 LEU 76 -14.523 13.875 8.473 557 HD12 LEU 76 2HD1 LEU 76 -13.382 13.991 7.134 558 HD13 LEU 76 3HD1 LEU 76 -15.036 13.456 6.838 559 HD21 LEU 76 3HD2 LEU 76 -16.363 16.913 7.829 560 HD22 LEU 76 1HD2 LEU 76 -16.010 15.621 8.977 561 HD23 LEU 76 2HD2 LEU 76 -16.933 15.273 7.515 562 H GLU 77 H GLU 77 -12.409 19.084 8.428 563 HA GLU 77 HA GLU 77 -9.894 18.215 9.311 564 HB2 GLU 77 1HB GLU 77 -9.115 20.375 8.828 565 HB3 GLU 77 2HB GLU 77 -10.459 20.141 7.720 566 HG2 GLU 77 1HG GLU 77 -11.082 22.165 8.437 567 HG3 GLU 77 2HG GLU 77 -11.743 21.268 9.803 568 H ASP 78 H ASP 78 -12.557 19.614 11.009 569 HA ASP 78 HA ASP 78 -11.191 20.666 13.239 570 HB2 ASP 78 1HB ASP 78 -13.681 20.923 12.503 571 HB3 ASP 78 2HB ASP 78 -13.933 19.467 13.461 572 H GLU 79 H GLU 79 -12.217 17.432 12.401 573 HA GLU 79 HA GLU 79 -11.422 16.438 15.039 574 HB2 GLU 79 1HB GLU 79 -12.614 14.821 12.791 575 HB3 GLU 79 2HB GLU 79 -12.550 14.414 14.500 576 HG2 GLU 79 1HG GLU 79 -13.925 16.858 14.314 577 HG3 GLU 79 2HG GLU 79 -14.571 15.815 13.048 578 H GLY 80 H GLY 80 -10.326 16.661 11.793 579 HA2 GLY 80 1HA GLY 80 -8.114 16.255 11.111 580 HA3 GLY 80 2HA GLY 80 -7.886 15.241 12.528 581 H LYS 81 H LYS 81 -10.601 14.913 10.339 582 HA LYS 81 HA LYS 81 -9.749 12.185 9.756 583 HB2 LYS 81 1HB LYS 81 -12.301 13.291 8.693 584 HB3 LYS 81 2HB LYS 81 -11.951 11.690 9.332 585 HG2 LYS 81 1HG LYS 81 -12.304 14.207 10.947 586 HG3 LYS 81 2HG LYS 81 -13.469 12.891 10.790 587 HD2 LYS 81 1HD LYS 81 -10.685 12.507 11.872 588 HD3 LYS 81 2HD LYS 81 -12.075 12.880 12.895 589 HE2 LYS 81 1HE LYS 81 -12.868 10.789 12.767 590 HE3 LYS 81 2HE LYS 81 -12.550 10.678 11.037 591 HZ1 LYS 81 3HZ LYS 81 -10.855 9.917 13.290 592 HZ2 LYS 81 1HZ LYS 81 -10.084 10.536 11.917 593 HZ3 LYS 81 2HZ LYS 81 -11.063 9.163 11.790 594 H LEU 82 H LEU 82 -10.356 15.240 8.135 595 HA LEU 82 HA LEU 82 -10.391 14.476 5.489 596 HB2 LEU 82 1HB LEU 82 -10.408 16.837 6.762 597 HB3 LEU 82 2HB LEU 82 -8.759 16.855 6.140 598 HG LEU 82 HG LEU 82 -10.024 16.240 3.879 599 HD11 LEU 82 1HD1 LEU 82 -12.204 16.710 3.773 600 HD12 LEU 82 2HD1 LEU 82 -12.032 18.169 4.748 601 HD13 LEU 82 3HD1 LEU 82 -12.179 16.596 5.533 602 HD21 LEU 82 3HD2 LEU 82 -10.357 19.021 4.066 603 HD22 LEU 82 1HD2 LEU 82 -8.977 18.139 3.410 604 HD23 LEU 82 2HD2 LEU 82 -8.992 18.617 5.108 605 H ASP 83 H ASP 83 -7.560 15.110 7.534 606 HA ASP 83 HA ASP 83 -5.550 14.826 5.662 607 HB2 ASP 83 1HB ASP 83 -5.433 15.391 8.198 608 HB3 ASP 83 2HB ASP 83 -5.257 13.651 8.412 609 H SER 84 H SER 84 -7.277 12.310 7.450 610 HA SER 84 HA SER 84 -5.723 10.187 6.271 611 HB2 SER 84 1HB SER 84 -8.342 9.817 7.711 612 HB3 SER 84 2HB SER 84 -6.970 8.713 7.619 613 HG SER 84 HG SER 84 -7.357 10.952 9.234 614 H LEU 85 H LEU 85 -8.664 11.877 5.571 615 HA LEU 85 HA LEU 85 -9.873 9.935 3.902 616 HB2 LEU 85 1HB LEU 85 -10.190 12.869 4.320 617 HB3 LEU 85 2HB LEU 85 -10.948 12.120 2.916 618 HG LEU 85 HG LEU 85 -11.448 11.272 5.767 619 HD11 LEU 85 1HD1 LEU 85 -13.052 13.086 3.972 620 HD12 LEU 85 2HD1 LEU 85 -12.241 13.533 5.473 621 HD13 LEU 85 3HD1 LEU 85 -13.611 12.424 5.509 622 HD21 LEU 85 3HD2 LEU 85 -12.538 9.554 4.886 623 HD22 LEU 85 1HD2 LEU 85 -12.005 10.051 3.280 624 HD23 LEU 85 2HD2 LEU 85 -13.533 10.651 3.926 625 H LEU 86 H LEU 86 -7.626 12.589 3.291 626 HA LEU 86 HA LEU 86 -7.622 12.122 0.440 627 HB2 LEU 86 1HB LEU 86 -5.915 13.874 0.378 628 HB3 LEU 86 2HB LEU 86 -7.354 14.378 1.262 629 HG LEU 86 HG LEU 86 -5.889 13.573 3.332 630 HD11 LEU 86 1HD1 LEU 86 -3.655 13.537 3.060 631 HD12 LEU 86 2HD1 LEU 86 -3.675 14.793 1.823 632 HD13 LEU 86 3HD1 LEU 86 -4.069 13.128 1.395 633 HD21 LEU 86 3HD2 LEU 86 -4.883 16.084 3.024 634 HD22 LEU 86 1HD2 LEU 86 -6.494 15.709 3.637 635 HD23 LEU 86 2HD2 LEU 86 -6.271 16.120 1.936 636 H LYS 87 H LYS 87 -5.847 11.065 3.201 637 HA LYS 87 HA LYS 87 -3.523 10.207 1.727 638 HB2 LYS 87 1HB LYS 87 -4.438 10.067 4.561 639 HB3 LYS 87 2HB LYS 87 -3.221 8.913 4.031 640 HG2 LYS 87 1HG LYS 87 -2.773 11.764 3.367 641 HG3 LYS 87 2HG LYS 87 -2.595 11.277 5.054 642 HD2 LYS 87 1HD LYS 87 -1.270 9.693 2.891 643 HD3 LYS 87 2HD LYS 87 -0.538 11.195 3.458 644 HE2 LYS 87 1HE LYS 87 -0.381 10.358 5.688 645 HE3 LYS 87 2HE LYS 87 -1.349 8.941 5.285 646 HZ1 LYS 87 3HZ LYS 87 0.789 8.124 5.236 647 HZ2 LYS 87 1HZ LYS 87 1.446 9.537 4.576 648 HZ3 LYS 87 2HZ LYS 87 0.538 8.492 3.604 649 H THR 88 H THR 88 -6.307 8.626 3.265 650 HA THR 88 HA THR 88 -5.532 6.052 2.156 651 HB THR 88 HB THR 88 -7.293 5.090 3.438 652 HG1 THR 88 HG1 THR 88 -9.063 6.167 3.880 653 HG21 THR 88 3HG2 THR 88 -6.829 5.916 5.707 654 HG22 THR 88 1HG2 THR 88 -6.065 7.350 5.023 655 HG23 THR 88 2HG2 THR 88 -5.353 5.759 4.756 656 H GLY 89 H GLY 89 -8.061 8.487 1.758 657 HA2 GLY 89 1HA GLY 89 -9.225 8.945 -0.218 658 HA3 GLY 89 2HA GLY 89 -8.613 7.445 -0.900 659 H LYS 90 H LYS 90 -9.984 7.234 2.234 660 HA LYS 90 HA LYS 90 -12.615 6.501 1.193 661 HB2 LYS 90 1HB LYS 90 -10.846 4.656 2.805 662 HB3 LYS 90 2HB LYS 90 -12.562 4.384 2.534 663 HG2 LYS 90 1HG LYS 90 -11.739 3.108 0.857 664 HG3 LYS 90 2HG LYS 90 -11.813 4.650 0.002 665 HD2 LYS 90 1HD LYS 90 -9.557 4.880 -0.052 666 HD3 LYS 90 2HD LYS 90 -9.333 4.103 1.517 667 HE2 LYS 90 1HE LYS 90 -8.380 2.699 -0.180 668 HE3 LYS 90 2HE LYS 90 -9.833 1.920 0.444 669 HZ1 LYS 90 3HZ LYS 90 -9.283 2.332 -2.170 670 HZ2 LYS 90 1HZ LYS 90 -10.320 3.623 -1.822 671 HZ3 LYS 90 2HZ LYS 90 -10.823 2.034 -1.537 672 H LEU 91 H LEU 91 -14.185 6.090 2.983 673 HA LEU 91 HA LEU 91 -13.592 7.884 5.238 674 HB2 LEU 91 1HB LEU 91 -15.401 8.791 4.098 675 HB3 LEU 91 2HB LEU 91 -16.104 7.211 3.761 676 HG LEU 91 HG LEU 91 -16.759 7.016 6.123 677 HD11 LEU 91 1HD1 LEU 91 -15.790 8.277 7.665 678 HD12 LEU 91 2HD1 LEU 91 -16.559 9.701 6.966 679 HD13 LEU 91 3HD1 LEU 91 -14.957 9.206 6.419 680 HD21 LEU 91 3HD2 LEU 91 -18.363 7.900 4.550 681 HD22 LEU 91 1HD2 LEU 91 -17.689 9.520 4.723 682 HD23 LEU 91 2HD2 LEU 91 -18.511 8.757 6.085 683 H ILE 92 H ILE 92 -13.541 7.096 7.243 684 HA ILE 92 HA ILE 92 -14.443 4.326 7.658 685 HB ILE 92 HB ILE 92 -12.948 4.406 9.691 686 HG12 ILE 92 1HG1 ILE 92 -11.637 6.759 8.353 687 HG13 ILE 92 2HG1 ILE 92 -12.884 6.992 9.572 688 HG21 ILE 92 1HG2 ILE 92 -10.839 4.205 8.308 689 HG22 ILE 92 2HG2 ILE 92 -12.192 3.189 7.814 690 HG23 ILE 92 3HG2 ILE 92 -11.820 4.660 6.915 691 HD11 ILE 92 3HD1 ILE 92 -10.129 5.905 9.860 692 HD12 ILE 92 1HD1 ILE 92 -10.973 7.114 10.828 693 HD13 ILE 92 2HD1 ILE 92 -11.384 5.407 10.994 Start of MODEL 13 1 H1 GLY 1 H GLY 1 5.412 12.347 6.252 2 HA2 GLY 1 1HA GLY 1 4.602 9.858 7.111 3 HA3 GLY 1 2HA GLY 1 3.382 10.360 5.950 4 HA PRO 2 HA PRO 2 6.989 8.289 3.778 5 HB2 PRO 2 1HB PRO 2 5.533 6.306 2.630 6 HB3 PRO 2 2HB PRO 2 6.264 6.157 4.232 7 HG2 PRO 2 1HG PRO 2 3.439 6.820 3.493 8 HG3 PRO 2 2HG PRO 2 4.039 5.734 4.760 9 HD2 PRO 2 1HD PRO 2 3.177 8.247 5.282 10 HD3 PRO 2 2HD PRO 2 4.469 7.468 6.217 11 H GLY 3 H GLY 3 3.717 9.182 2.858 12 HA2 GLY 3 1HA GLY 3 3.437 10.795 1.067 13 HA3 GLY 3 2HA GLY 3 4.770 10.013 0.230 14 H SER 4 H SER 4 1.384 10.044 0.794 15 HA SER 4 HA SER 4 0.841 8.453 -1.480 16 HB2 SER 4 1HB SER 4 1.514 6.798 0.476 17 HB3 SER 4 2HB SER 4 -0.153 7.077 0.981 18 HG SER 4 HG SER 4 -0.300 5.401 -0.393 19 H MET 5 H MET 5 -1.137 8.936 -2.231 20 HA MET 5 HA MET 5 -3.280 9.693 -0.440 21 HB2 MET 5 1HB MET 5 -3.639 11.856 -1.755 22 HB3 MET 5 2HB MET 5 -2.337 11.844 -0.573 23 HG2 MET 5 1HG MET 5 -1.643 11.100 -3.349 24 HG3 MET 5 2HG MET 5 -2.043 12.787 -3.039 25 HE1 MET 5 3HE MET 5 -0.031 14.498 -1.600 26 HE2 MET 5 1HE MET 5 1.284 13.996 -2.662 27 HE3 MET 5 2HE MET 5 -0.364 14.085 -3.283 28 H VAL 6 H VAL 6 -5.140 10.656 -2.047 29 HA VAL 6 HA VAL 6 -5.272 8.828 -4.353 30 HB VAL 6 HB VAL 6 -7.606 8.378 -3.915 31 HG11 VAL 6 1HG1 VAL 6 -6.999 7.645 -1.277 32 HG12 VAL 6 2HG1 VAL 6 -6.840 6.661 -2.733 33 HG13 VAL 6 3HG1 VAL 6 -5.471 7.612 -2.157 34 HG21 VAL 6 3HG2 VAL 6 -7.284 10.117 -1.470 35 HG22 VAL 6 1HG2 VAL 6 -8.215 10.516 -2.913 36 HG23 VAL 6 2HG2 VAL 6 -8.717 9.176 -1.883 37 H ASP 7 H ASP 7 -6.512 9.533 -6.126 38 HA ASP 7 HA ASP 7 -6.300 12.194 -6.827 39 HB2 ASP 7 1HB ASP 7 -8.016 9.951 -7.840 40 HB3 ASP 7 2HB ASP 7 -8.212 11.574 -8.496 41 H VAL 8 H VAL 8 -7.381 13.991 -6.344 42 HA VAL 8 HA VAL 8 -10.033 13.725 -5.082 43 HB VAL 8 HB VAL 8 -7.914 15.796 -4.490 44 HG11 VAL 8 1HG1 VAL 8 -10.156 16.741 -4.369 45 HG12 VAL 8 2HG1 VAL 8 -10.664 15.429 -3.305 46 HG13 VAL 8 3HG1 VAL 8 -9.453 16.590 -2.759 47 HG21 VAL 8 3HG2 VAL 8 -8.830 13.323 -3.085 48 HG22 VAL 8 1HG2 VAL 8 -7.192 13.919 -3.356 49 HG23 VAL 8 2HG2 VAL 8 -8.224 14.690 -2.150 50 H ILE 9 H ILE 9 -11.661 14.851 -5.957 51 HA ILE 9 HA ILE 9 -10.998 16.918 -7.951 52 HB ILE 9 HB ILE 9 -13.442 15.168 -8.108 53 HG12 ILE 9 1HG1 ILE 9 -10.779 14.769 -9.489 54 HG13 ILE 9 2HG1 ILE 9 -11.462 13.727 -8.245 55 HG21 ILE 9 1HG2 ILE 9 -12.064 16.663 -10.317 56 HG22 ILE 9 2HG2 ILE 9 -13.706 16.022 -10.279 57 HG23 ILE 9 3HG2 ILE 9 -13.281 17.419 -9.289 58 HD11 ILE 9 3HD1 ILE 9 -13.284 13.124 -9.724 59 HD12 ILE 9 1HD1 ILE 9 -12.657 14.209 -10.963 60 HD13 ILE 9 2HD1 ILE 9 -11.727 12.790 -10.482 61 H ILE 10 H ILE 10 -11.903 18.852 -7.651 62 HA ILE 10 HA ILE 10 -14.075 19.066 -5.671 63 HB ILE 10 HB ILE 10 -11.965 20.154 -4.980 64 HG12 ILE 10 1HG1 ILE 10 -13.719 22.479 -5.493 65 HG13 ILE 10 2HG1 ILE 10 -14.494 21.096 -4.727 66 HG21 ILE 10 1HG2 ILE 10 -11.144 22.114 -6.141 67 HG22 ILE 10 2HG2 ILE 10 -11.167 20.732 -7.235 68 HG23 ILE 10 3HG2 ILE 10 -12.422 21.965 -7.346 69 HD11 ILE 10 3HD1 ILE 10 -12.840 21.151 -2.942 70 HD12 ILE 10 1HD1 ILE 10 -12.048 22.525 -3.714 71 HD13 ILE 10 2HD1 ILE 10 -13.687 22.691 -3.083 72 H TYR 11 H TYR 11 -15.945 19.990 -6.256 73 HA TYR 11 HA TYR 11 -16.101 21.141 -8.962 74 HB2 TYR 11 1HB TYR 11 -17.796 19.268 -7.486 75 HB3 TYR 11 2HB TYR 11 -18.700 20.594 -8.209 76 HD1 TYR 11 HD1 TYR 11 -16.003 18.172 -9.135 77 HD2 TYR 11 HD2 TYR 11 -19.471 20.309 -10.363 78 HE1 TYR 11 HE1 TYR 11 -15.932 17.026 -11.310 79 HE2 TYR 11 HE2 TYR 11 -19.410 19.169 -12.541 80 HH TYR 11 HH TYR 11 -17.932 16.484 -13.171 81 H THR 12 H THR 12 -16.335 23.264 -9.034 82 HA THR 12 HA THR 12 -18.150 24.601 -7.199 83 HB THR 12 HB THR 12 -16.205 24.892 -5.899 84 HG1 THR 12 HG1 THR 12 -16.067 27.243 -7.456 85 HG21 THR 12 3HG2 THR 12 -14.294 24.350 -6.971 86 HG22 THR 12 1HG2 THR 12 -14.206 26.080 -7.301 87 HG23 THR 12 2HG2 THR 12 -14.861 24.982 -8.516 88 H ARG 13 H ARG 13 -18.676 26.784 -7.867 89 HA ARG 13 HA ARG 13 -18.250 27.175 -10.754 90 HB2 ARG 13 1HB ARG 13 -20.409 27.867 -10.984 91 HB3 ARG 13 2HB ARG 13 -20.622 26.839 -9.573 92 HG2 ARG 13 1HG ARG 13 -20.094 29.073 -8.283 93 HG3 ARG 13 2HG ARG 13 -20.658 29.800 -9.789 94 HD2 ARG 13 1HD ARG 13 -22.320 27.621 -8.695 95 HD3 ARG 13 2HD ARG 13 -22.283 29.112 -7.755 96 HE ARG 13 HE ARG 13 -22.778 29.497 -10.567 97 HH11 ARG 13 1HH1 ARG 13 -24.198 28.892 -7.447 98 HH12 ARG 13 2HH1 ARG 13 -25.751 29.522 -7.886 99 HH21 ARG 13 1HH2 ARG 13 -24.818 30.329 -11.158 100 HH22 ARG 13 2HH2 ARG 13 -26.103 30.338 -9.998 101 HA PRO 14 HA PRO 14 -16.281 31.043 -10.117 102 HB2 PRO 14 1HB PRO 14 -17.299 32.554 -12.130 103 HB3 PRO 14 2HB PRO 14 -16.146 31.242 -12.402 104 HG2 PRO 14 1HG PRO 14 -19.124 31.241 -12.710 105 HG3 PRO 14 2HG PRO 14 -17.889 30.541 -13.772 106 HD2 PRO 14 1HD PRO 14 -19.316 29.051 -12.019 107 HD3 PRO 14 2HD PRO 14 -17.640 28.665 -12.456 108 H GLY 15 H GLY 15 -16.796 32.176 -8.334 109 HA2 GLY 15 1HA GLY 15 -17.780 34.265 -7.578 110 HA3 GLY 15 2HA GLY 15 -19.248 33.816 -8.434 111 H CYS 16 H CYS 16 -17.962 31.124 -6.936 112 HA CYS 16 HA CYS 16 -20.016 31.230 -4.878 113 HB2 CYS 16 1HB CYS 16 -19.663 29.209 -6.343 114 HB3 CYS 16 2HB CYS 16 -18.130 28.956 -5.514 115 HA PRO 17 HA PRO 17 -16.882 32.616 -1.985 116 HB2 PRO 17 1HB PRO 17 -18.615 33.013 0.066 117 HB3 PRO 17 2HB PRO 17 -18.422 34.161 -1.264 118 HG2 PRO 17 1HG PRO 17 -20.524 32.069 -0.857 119 HG3 PRO 17 2HG PRO 17 -20.704 33.741 -1.418 120 HD2 PRO 17 1HD PRO 17 -20.697 31.629 -3.112 121 HD3 PRO 17 2HD PRO 17 -20.059 33.221 -3.569 122 H TYR 18 H TYR 18 -19.513 30.455 -0.908 123 HA TYR 18 HA TYR 18 -18.120 29.286 1.218 124 HB2 TYR 18 1HB TYR 18 -20.493 28.488 -0.420 125 HB3 TYR 18 2HB TYR 18 -19.791 27.318 0.692 126 HD1 TYR 18 HD2 TYR 18 -20.380 31.001 0.955 127 HD2 TYR 18 HD1 TYR 18 -21.156 27.131 2.545 128 HE1 TYR 18 HE2 TYR 18 -21.633 32.020 2.810 129 HE2 TYR 18 HE1 TYR 18 -22.413 28.140 4.404 130 HH TYR 18 HH TYR 18 -22.572 31.639 4.827 131 H CYS 19 H CYS 19 -18.131 28.579 -2.205 132 HA CYS 19 HA CYS 19 -16.843 26.043 -2.012 133 HB2 CYS 19 1HB CYS 19 -16.892 27.926 -4.378 134 HB3 CYS 19 2HB CYS 19 -16.578 26.193 -4.412 135 H ALA 20 H ALA 20 -15.689 29.307 -2.833 136 HA ALA 20 HA ALA 20 -13.021 28.729 -3.288 137 HB1 ALA 20 1HB ALA 20 -13.263 31.218 -1.867 138 HB2 ALA 20 2HB ALA 20 -12.899 30.929 -3.568 139 HB3 ALA 20 3HB ALA 20 -14.576 31.038 -3.031 140 H ARG 21 H ARG 21 -14.632 29.470 -0.212 141 HA ARG 21 HA ARG 21 -12.412 29.523 1.449 142 HB2 ARG 21 1HB ARG 21 -15.302 28.984 1.808 143 HB3 ARG 21 2HB ARG 21 -14.243 28.425 3.096 144 HG2 ARG 21 1HG ARG 21 -14.362 31.247 2.052 145 HG3 ARG 21 2HG ARG 21 -15.150 30.664 3.520 146 HD2 ARG 21 1HD ARG 21 -12.773 29.883 4.190 147 HD3 ARG 21 2HD ARG 21 -12.231 31.009 2.946 148 HE ARG 21 HE ARG 21 -13.970 32.437 4.524 149 HH11 ARG 21 1HH1 ARG 21 -11.001 30.682 5.001 150 HH12 ARG 21 2HH1 ARG 21 -10.473 31.677 6.318 151 HH21 ARG 21 1HH2 ARG 21 -13.285 33.754 6.255 152 HH22 ARG 21 2HH2 ARG 21 -11.773 33.424 7.031 153 H ALA 22 H ALA 22 -14.398 26.741 0.483 154 HA ALA 22 HA ALA 22 -13.040 24.805 1.999 155 HB1 ALA 22 1HB ALA 22 -14.660 24.590 -0.528 156 HB2 ALA 22 2HB ALA 22 -14.013 23.190 0.328 157 HB3 ALA 22 3HB ALA 22 -15.173 24.253 1.126 158 H LYS 23 H LYS 23 -12.619 25.808 -1.388 159 HA LYS 23 HA LYS 23 -10.621 24.036 -2.122 160 HB2 LYS 23 1HB LYS 23 -10.925 26.918 -2.984 161 HB3 LYS 23 2HB LYS 23 -9.987 25.692 -3.826 162 HG2 LYS 23 1HG LYS 23 -12.510 24.569 -3.572 163 HG3 LYS 23 2HG LYS 23 -12.815 26.266 -3.950 164 HD2 LYS 23 1HD LYS 23 -11.038 24.394 -5.515 165 HD3 LYS 23 2HD LYS 23 -12.656 24.920 -5.984 166 HE2 LYS 23 1HE LYS 23 -11.306 27.283 -5.482 167 HE3 LYS 23 2HE LYS 23 -10.099 26.269 -6.270 168 HZ1 LYS 23 3HZ LYS 23 -12.435 27.517 -7.372 169 HZ2 LYS 23 1HZ LYS 23 -12.325 25.876 -7.767 170 HZ3 LYS 23 2HZ LYS 23 -11.057 26.925 -8.154 171 H ALA 24 H ALA 24 -10.179 27.360 -0.902 172 HA ALA 24 HA ALA 24 -7.396 27.293 -0.726 173 HB1 ALA 24 1HB ALA 24 -8.750 28.858 1.357 174 HB2 ALA 24 2HB ALA 24 -7.585 29.361 0.132 175 HB3 ALA 24 3HB ALA 24 -9.288 29.183 -0.291 176 H LEU 25 H LEU 25 -9.863 26.341 1.619 177 HA LEU 25 HA LEU 25 -8.221 25.918 3.831 178 HB2 LEU 25 1HB LEU 25 -10.661 25.918 3.932 179 HB3 LEU 25 2HB LEU 25 -10.703 24.414 3.014 180 HG LEU 25 HG LEU 25 -9.739 23.199 4.847 181 HD11 LEU 25 1HD1 LEU 25 -8.186 24.869 5.663 182 HD12 LEU 25 2HD1 LEU 25 -9.210 24.296 6.980 183 HD13 LEU 25 3HD1 LEU 25 -9.523 25.865 6.238 184 HD21 LEU 25 3HD2 LEU 25 -11.743 24.912 6.238 185 HD22 LEU 25 1HD2 LEU 25 -11.582 23.156 6.212 186 HD23 LEU 25 2HD2 LEU 25 -12.236 24.001 4.809 187 H LEU 26 H LEU 26 -9.100 23.718 1.195 188 HA LEU 26 HA LEU 26 -7.630 21.508 2.245 189 HB2 LEU 26 1HB LEU 26 -9.325 22.061 -0.021 190 HB3 LEU 26 2HB LEU 26 -7.899 21.148 -0.513 191 HG LEU 26 HG LEU 26 -9.932 20.327 1.560 192 HD11 LEU 26 1HD1 LEU 26 -10.871 18.975 0.012 193 HD12 LEU 26 2HD1 LEU 26 -9.349 18.701 -0.836 194 HD13 LEU 26 3HD1 LEU 26 -10.245 20.198 -1.094 195 HD21 LEU 26 3HD2 LEU 26 -7.834 19.512 2.302 196 HD22 LEU 26 1HD2 LEU 26 -7.357 19.051 0.667 197 HD23 LEU 26 2HD2 LEU 26 -8.638 18.165 1.494 198 H ALA 27 H ALA 27 -6.973 24.035 -0.127 199 HA ALA 27 HA ALA 27 -4.527 23.003 -1.082 200 HB1 ALA 27 1HB ALA 27 -5.983 25.550 -1.255 201 HB2 ALA 27 2HB ALA 27 -4.232 25.672 -1.431 202 HB3 ALA 27 3HB ALA 27 -5.156 24.624 -2.508 203 H ARG 28 H ARG 28 -5.334 25.100 1.633 204 HA ARG 28 HA ARG 28 -2.781 25.979 2.315 205 HB2 ARG 28 1HB ARG 28 -4.905 26.808 3.314 206 HB3 ARG 28 2HB ARG 28 -5.029 25.306 4.220 207 HG2 ARG 28 1HG ARG 28 -2.521 26.855 4.499 208 HG3 ARG 28 2HG ARG 28 -3.978 27.514 5.246 209 HD2 ARG 28 1HD ARG 28 -4.191 24.987 6.077 210 HD3 ARG 28 2HD ARG 28 -2.439 25.068 5.900 211 HE ARG 28 HE ARG 28 -3.182 27.321 7.317 212 HH11 ARG 28 1HH1 ARG 28 -3.373 23.868 7.720 213 HH12 ARG 28 2HH1 ARG 28 -3.295 23.934 9.449 214 HH21 ARG 28 1HH2 ARG 28 -3.080 27.421 9.593 215 HH22 ARG 28 2HH2 ARG 28 -3.130 25.956 10.514 216 H LYS 29 H LYS 29 -4.351 22.909 2.869 217 HA LYS 29 HA LYS 29 -2.388 21.967 4.749 218 HB2 LYS 29 1HB LYS 29 -4.341 20.284 3.183 219 HB3 LYS 29 2HB LYS 29 -3.581 19.901 4.722 220 HG2 LYS 29 1HG LYS 29 -4.875 21.574 5.847 221 HG3 LYS 29 2HG LYS 29 -5.531 22.158 4.316 222 HD2 LYS 29 1HD LYS 29 -7.212 20.802 5.291 223 HD3 LYS 29 2HD LYS 29 -6.498 19.848 3.989 224 HE2 LYS 29 1HE LYS 29 -4.929 19.056 5.998 225 HE3 LYS 29 2HE LYS 29 -6.370 19.467 6.926 226 HZ1 LYS 29 3HZ LYS 29 -7.501 18.057 5.031 227 HZ2 LYS 29 1HZ LYS 29 -6.844 17.324 6.408 228 HZ3 LYS 29 2HZ LYS 29 -5.969 17.342 4.960 229 H GLY 30 H GLY 30 -2.586 22.219 1.357 230 HA2 GLY 30 1HA GLY 30 -0.663 21.862 -0.009 231 HA3 GLY 30 2HA GLY 30 -0.135 20.618 1.114 232 H ALA 31 H ALA 31 -3.162 19.795 0.981 233 HA ALA 31 HA ALA 31 -2.783 17.625 -0.784 234 HB1 ALA 31 1HB ALA 31 -5.155 18.732 0.669 235 HB2 ALA 31 2HB ALA 31 -5.342 17.415 -0.489 236 HB3 ALA 31 3HB ALA 31 -4.302 17.208 0.920 237 H GLU 32 H GLU 32 -2.718 17.715 -2.925 238 HA GLU 32 HA GLU 32 -3.827 19.928 -4.385 239 HB2 GLU 32 1HB GLU 32 -2.221 17.507 -5.061 240 HB3 GLU 32 2HB GLU 32 -3.105 18.304 -6.355 241 HG2 GLU 32 1HG GLU 32 -1.068 19.596 -4.555 242 HG3 GLU 32 2HG GLU 32 -0.809 19.092 -6.224 243 H PHE 33 H PHE 33 -5.488 19.871 -5.913 244 HA PHE 33 HA PHE 33 -7.085 17.468 -6.197 245 HB2 PHE 33 1HB PHE 33 -9.181 18.660 -5.509 246 HB3 PHE 33 2HB PHE 33 -8.064 18.347 -4.184 247 HD1 PHE 33 HD2 PHE 33 -9.110 20.983 -6.582 248 HD2 PHE 33 HD1 PHE 33 -7.364 20.078 -2.808 249 HE1 PHE 33 HE2 PHE 33 -9.140 23.373 -6.000 250 HE2 PHE 33 HE1 PHE 33 -7.392 22.467 -2.218 251 HZ PHE 33 HZ PHE 33 -8.280 24.118 -3.816 252 H ASN 34 H ASN 34 -8.438 17.494 -7.995 253 HA ASN 34 HA ASN 34 -7.697 19.388 -10.031 254 HB2 ASN 34 1HB ASN 34 -8.180 16.842 -10.285 255 HB3 ASN 34 2HB ASN 34 -9.868 17.339 -10.352 256 HD21 ASN 34 2HD2 ASN 34 -9.666 16.328 -12.500 257 HD22 ASN 34 1HD2 ASN 34 -9.126 17.312 -13.814 258 H GLU 35 H GLU 35 -8.696 21.238 -10.442 259 HA GLU 35 HA GLU 35 -11.225 21.837 -9.162 260 HB2 GLU 35 1HB GLU 35 -9.426 23.508 -9.170 261 HB3 GLU 35 2HB GLU 35 -9.461 23.544 -10.927 262 HG2 GLU 35 1HG GLU 35 -11.973 24.169 -10.567 263 HG3 GLU 35 2HG GLU 35 -11.410 24.652 -8.968 264 H ILE 36 H ILE 36 -13.146 21.631 -10.091 265 HA ILE 36 HA ILE 36 -13.343 21.779 -13.017 266 HB ILE 36 HB ILE 36 -14.693 19.669 -11.328 267 HG12 ILE 36 1HG1 ILE 36 -12.485 19.440 -13.385 268 HG13 ILE 36 2HG1 ILE 36 -12.305 19.215 -11.649 269 HG21 ILE 36 1HG2 ILE 36 -15.477 18.778 -13.482 270 HG22 ILE 36 2HG2 ILE 36 -16.101 20.395 -13.161 271 HG23 ILE 36 3HG2 ILE 36 -14.773 20.173 -14.300 272 HD11 ILE 36 3HD1 ILE 36 -14.073 17.362 -11.942 273 HD12 ILE 36 1HD1 ILE 36 -13.645 17.453 -13.650 274 HD13 ILE 36 2HD1 ILE 36 -12.413 17.055 -12.452 275 H ASP 37 H ASP 37 -15.267 22.603 -13.816 276 HA ASP 37 HA ASP 37 -16.990 23.879 -11.803 277 HB2 ASP 37 1HB ASP 37 -16.248 24.636 -14.619 278 HB3 ASP 37 2HB ASP 37 -17.669 25.320 -13.835 279 H ALA 38 H ALA 38 -19.238 23.810 -12.013 280 HA ALA 38 HA ALA 38 -20.233 21.678 -13.788 281 HB1 ALA 38 1HB ALA 38 -20.447 21.958 -10.990 282 HB2 ALA 38 2HB ALA 38 -22.058 22.212 -11.661 283 HB3 ALA 38 3HB ALA 38 -21.177 20.728 -12.021 284 H SER 39 H SER 39 -20.704 24.933 -12.625 285 HA SER 39 HA SER 39 -23.284 25.424 -13.587 286 HB2 SER 39 1HB SER 39 -22.800 27.737 -13.328 287 HB3 SER 39 2HB SER 39 -21.862 26.914 -12.082 288 HG SER 39 HG SER 39 -21.015 28.354 -14.260 289 H ALA 40 H ALA 40 -20.310 25.009 -15.253 290 HA ALA 40 HA ALA 40 -20.616 26.498 -17.554 291 HB1 ALA 40 1HB ALA 40 -19.638 23.785 -18.051 292 HB2 ALA 40 2HB ALA 40 -18.849 25.342 -18.304 293 HB3 ALA 40 3HB ALA 40 -18.849 24.604 -16.702 294 H THR 41 H THR 41 -22.167 23.471 -16.664 295 HA THR 41 HA THR 41 -23.973 23.795 -18.957 296 HB THR 41 HB THR 41 -23.946 21.111 -18.817 297 HG1 THR 41 HG1 THR 41 -21.474 20.767 -18.799 298 HG21 THR 41 3HG2 THR 41 -23.682 22.359 -20.867 299 HG22 THR 41 1HG2 THR 41 -22.399 21.155 -20.762 300 HG23 THR 41 2HG2 THR 41 -22.052 22.847 -20.404 301 HA PRO 42 HA PRO 42 -27.247 23.026 -16.137 302 HB2 PRO 42 1HB PRO 42 -29.000 21.622 -17.662 303 HB3 PRO 42 2HB PRO 42 -28.698 23.349 -17.889 304 HG2 PRO 42 1HG PRO 42 -27.592 21.018 -19.407 305 HG3 PRO 42 2HG PRO 42 -28.198 22.567 -20.021 306 HD2 PRO 42 1HD PRO 42 -25.556 22.045 -19.739 307 HD3 PRO 42 2HD PRO 42 -26.234 23.672 -19.532 308 H GLU 43 H GLU 43 -26.185 20.171 -17.959 309 HA GLU 43 HA GLU 43 -27.307 18.279 -16.156 310 HB2 GLU 43 1HB GLU 43 -26.421 18.050 -18.648 311 HB3 GLU 43 2HB GLU 43 -24.938 17.582 -17.827 312 HG2 GLU 43 1HG GLU 43 -25.869 15.537 -18.025 313 HG3 GLU 43 2HG GLU 43 -26.625 16.015 -16.506 314 H LEU 44 H LEU 44 -23.975 19.428 -16.665 315 HA LEU 44 HA LEU 44 -22.737 17.950 -14.665 316 HB2 LEU 44 1HB LEU 44 -22.145 20.537 -16.016 317 HB3 LEU 44 2HB LEU 44 -21.195 20.084 -14.602 318 HG LEU 44 HG LEU 44 -21.435 18.477 -17.146 319 HD11 LEU 44 1HD1 LEU 44 -20.020 20.766 -16.827 320 HD12 LEU 44 2HD1 LEU 44 -19.565 19.452 -17.911 321 HD13 LEU 44 3HD1 LEU 44 -18.841 19.562 -16.307 322 HD21 LEU 44 3HD2 LEU 44 -19.225 17.790 -15.463 323 HD22 LEU 44 1HD2 LEU 44 -20.542 16.771 -16.046 324 HD23 LEU 44 2HD2 LEU 44 -20.727 17.677 -14.544 325 H ARG 45 H ARG 45 -24.532 20.964 -14.474 326 HA ARG 45 HA ARG 45 -23.875 21.362 -11.684 327 HB2 ARG 45 1HB ARG 45 -24.254 23.235 -13.342 328 HB3 ARG 45 2HB ARG 45 -25.961 22.814 -13.311 329 HG2 ARG 45 1HG ARG 45 -25.015 23.118 -10.632 330 HG3 ARG 45 2HG ARG 45 -24.567 24.535 -11.584 331 HD2 ARG 45 1HD ARG 45 -27.343 23.395 -11.658 332 HD3 ARG 45 2HD ARG 45 -26.848 24.543 -10.414 333 HE ARG 45 HE ARG 45 -27.393 25.109 -13.177 334 HH11 ARG 45 1HH1 ARG 45 -25.681 26.147 -10.329 335 HH12 ARG 45 2HH1 ARG 45 -25.591 27.803 -10.828 336 HH21 ARG 45 1HH2 ARG 45 -27.281 27.286 -13.845 337 HH22 ARG 45 2HH2 ARG 45 -26.501 28.451 -12.828 338 H ALA 46 H ALA 46 -26.380 19.884 -13.562 339 HA ALA 46 HA ALA 46 -28.368 19.863 -11.502 340 HB1 ALA 46 1HB ALA 46 -29.398 18.076 -13.028 341 HB2 ALA 46 2HB ALA 46 -29.238 19.715 -13.662 342 HB3 ALA 46 3HB ALA 46 -28.087 18.468 -14.141 343 H GLU 47 H GLU 47 -26.028 17.505 -12.747 344 HA GLU 47 HA GLU 47 -26.821 15.353 -11.116 345 HB2 GLU 47 1HB GLU 47 -24.655 14.365 -11.668 346 HB3 GLU 47 2HB GLU 47 -25.408 15.062 -13.095 347 HG2 GLU 47 1HG GLU 47 -23.982 17.132 -12.595 348 HG3 GLU 47 2HG GLU 47 -23.063 16.068 -11.533 349 H MET 48 H MET 48 -24.512 17.973 -10.621 350 HA MET 48 HA MET 48 -23.432 16.973 -8.194 351 HB2 MET 48 1HB MET 48 -23.497 19.731 -9.414 352 HB3 MET 48 2HB MET 48 -22.690 19.385 -7.891 353 HG2 MET 48 1HG MET 48 -22.050 18.056 -10.513 354 HG3 MET 48 2HG MET 48 -21.168 19.419 -9.828 355 HE1 MET 48 3HE MET 48 -20.531 15.220 -9.592 356 HE2 MET 48 1HE MET 48 -20.810 16.445 -10.831 357 HE3 MET 48 2HE MET 48 -19.211 16.273 -10.106 358 H GLN 49 H GLN 49 -25.811 19.552 -8.835 359 HA GLN 49 HA GLN 49 -26.437 20.009 -6.122 360 HB2 GLN 49 1HB GLN 49 -28.154 21.418 -6.893 361 HB3 GLN 49 2HB GLN 49 -26.912 21.514 -8.134 362 HG2 GLN 49 1HG GLN 49 -28.150 19.943 -9.516 363 HG3 GLN 49 2HG GLN 49 -29.386 19.806 -8.266 364 HE21 GLN 49 2HE2 GLN 49 -27.676 22.645 -9.497 365 HE22 GLN 49 1HE2 GLN 49 -29.089 23.482 -10.034 366 H GLU 50 H GLU 50 -27.352 17.535 -8.305 367 HA GLU 50 HA GLU 50 -29.839 16.833 -7.097 368 HB2 GLU 50 1HB GLU 50 -29.455 16.142 -9.354 369 HB3 GLU 50 2HB GLU 50 -27.957 15.332 -8.916 370 HG2 GLU 50 1HG GLU 50 -29.184 13.665 -7.666 371 HG3 GLU 50 2HG GLU 50 -30.700 14.499 -8.000 372 H ARG 51 H ARG 51 -26.539 16.255 -6.326 373 HA ARG 51 HA ARG 51 -27.108 13.959 -4.642 374 HB2 ARG 51 1HB ARG 51 -24.539 15.511 -5.012 375 HB3 ARG 51 2HB ARG 51 -24.707 13.981 -4.161 376 HG2 ARG 51 1HG ARG 51 -25.096 12.791 -6.132 377 HG3 ARG 51 2HG ARG 51 -25.471 14.254 -7.044 378 HD2 ARG 51 1HD ARG 51 -23.243 14.873 -7.215 379 HD3 ARG 51 2HD ARG 51 -22.762 13.890 -5.832 380 HE ARG 51 HE ARG 51 -22.977 13.044 -8.570 381 HH11 ARG 51 1HH1 ARG 51 -23.020 12.017 -5.244 382 HH12 ARG 51 2HH1 ARG 51 -22.552 10.388 -5.605 383 HH21 ARG 51 1HH2 ARG 51 -22.360 10.903 -9.058 384 HH22 ARG 51 2HH2 ARG 51 -22.175 9.756 -7.775 385 H SER 52 H SER 52 -26.391 17.385 -4.320 386 HA SER 52 HA SER 52 -26.227 17.270 -1.442 387 HB2 SER 52 1HB SER 52 -25.280 19.032 -3.316 388 HB3 SER 52 2HB SER 52 -26.671 19.905 -2.673 389 HG SER 52 HG SER 52 -24.795 18.691 -0.954 390 H GLY 53 H GLY 53 -28.614 18.176 -3.868 391 HA2 GLY 53 1HA GLY 53 -30.938 18.095 -3.585 392 HA3 GLY 53 2HA GLY 53 -30.700 17.982 -1.847 393 H ARG 54 H ARG 54 -28.813 20.439 -3.122 394 HA ARG 54 HA ARG 54 -30.886 22.448 -2.530 395 HB2 ARG 54 1HB ARG 54 -27.951 22.508 -1.813 396 HB3 ARG 54 2HB ARG 54 -29.035 23.883 -1.651 397 HG2 ARG 54 1HG ARG 54 -29.363 21.244 -0.239 398 HG3 ARG 54 2HG ARG 54 -28.674 22.705 0.471 399 HD2 ARG 54 1HD ARG 54 -30.864 23.845 -0.138 400 HD3 ARG 54 2HD ARG 54 -31.496 22.229 -0.450 401 HE ARG 54 HE ARG 54 -31.087 23.440 2.094 402 HH11 ARG 54 1HH1 ARG 54 -31.024 20.392 0.414 403 HH12 ARG 54 2HH1 ARG 54 -31.361 19.455 1.831 404 HH21 ARG 54 1HH2 ARG 54 -31.531 22.218 3.968 405 HH22 ARG 54 2HH2 ARG 54 -31.650 20.495 3.852 406 H ASN 55 H ASN 55 -30.041 24.706 -3.341 407 HA ASN 55 HA ASN 55 -30.164 24.797 -6.062 408 HB2 ASN 55 1HB ASN 55 -28.746 27.020 -5.705 409 HB3 ASN 55 2HB ASN 55 -30.414 26.889 -5.154 410 HD21 ASN 55 2HD2 ASN 55 -30.849 26.744 -2.972 411 HD22 ASN 55 1HD2 ASN 55 -29.661 27.080 -1.763 412 H THR 56 H THR 56 -27.097 25.549 -4.420 413 HA THR 56 HA THR 56 -25.615 23.695 -6.047 414 HB THR 56 HB THR 56 -24.728 26.522 -6.418 415 HG1 THR 56 HG1 THR 56 -26.436 26.976 -7.566 416 HG21 THR 56 3HG2 THR 56 -24.170 25.406 -8.708 417 HG22 THR 56 1HG2 THR 56 -24.422 23.900 -7.827 418 HG23 THR 56 2HG2 THR 56 -23.182 25.035 -7.294 419 H PHE 57 H PHE 57 -23.802 23.079 -5.027 420 HA PHE 57 HA PHE 57 -22.532 24.860 -3.101 421 HB2 PHE 57 1HB PHE 57 -22.923 23.629 -1.226 422 HB3 PHE 57 2HB PHE 57 -24.365 23.154 -2.118 423 HD1 PHE 57 HD1 PHE 57 -23.736 21.135 -3.885 424 HD2 PHE 57 HD2 PHE 57 -21.905 21.911 -0.122 425 HE1 PHE 57 HE1 PHE 57 -23.052 18.776 -3.736 426 HE2 PHE 57 HE2 PHE 57 -21.217 19.554 0.033 427 HZ PHE 57 HZ PHE 57 -21.789 17.983 -1.775 428 HA PRO 58 HA PRO 58 -18.788 23.040 -4.481 429 HB2 PRO 58 1HB PRO 58 -17.294 22.962 -2.216 430 HB3 PRO 58 2HB PRO 58 -17.677 24.465 -3.062 431 HG2 PRO 58 1HG PRO 58 -18.971 23.272 -0.640 432 HG3 PRO 58 2HG PRO 58 -18.525 24.960 -0.954 433 HD2 PRO 58 1HD PRO 58 -21.060 24.049 -1.223 434 HD3 PRO 58 2HD PRO 58 -20.400 25.349 -2.236 435 H GLN 59 H GLN 59 -18.256 21.015 -4.996 436 HA GLN 59 HA GLN 59 -18.945 18.864 -3.113 437 HB2 GLN 59 1HB GLN 59 -19.144 19.157 -6.015 438 HB3 GLN 59 2HB GLN 59 -18.385 17.647 -5.527 439 HG2 GLN 59 1HG GLN 59 -20.404 16.810 -5.207 440 HG3 GLN 59 2HG GLN 59 -20.602 17.928 -3.859 441 HE21 GLN 59 2HE2 GLN 59 -20.663 20.317 -5.339 442 HE22 GLN 59 1HE2 GLN 59 -22.139 20.357 -6.236 443 H ILE 60 H ILE 60 -17.391 17.652 -2.238 444 HA ILE 60 HA ILE 60 -14.664 17.908 -3.328 445 HB ILE 60 HB ILE 60 -15.597 17.644 -0.479 446 HG12 ILE 60 1HG1 ILE 60 -13.905 19.591 -0.301 447 HG13 ILE 60 2HG1 ILE 60 -14.008 19.655 -2.057 448 HG21 ILE 60 1HG2 ILE 60 -12.900 17.046 -1.651 449 HG22 ILE 60 2HG2 ILE 60 -13.093 17.549 0.028 450 HG23 ILE 60 3HG2 ILE 60 -13.865 16.070 -0.544 451 HD11 ILE 60 3HD1 ILE 60 -16.305 20.206 -1.989 452 HD12 ILE 60 1HD1 ILE 60 -16.411 19.840 -0.268 453 HD13 ILE 60 2HD1 ILE 60 -15.495 21.244 -0.816 454 H PHE 61 H PHE 61 -14.397 16.113 -4.531 455 HA PHE 61 HA PHE 61 -15.311 13.536 -3.512 456 HB2 PHE 61 1HB PHE 61 -14.045 14.261 -6.163 457 HB3 PHE 61 2HB PHE 61 -14.685 12.677 -5.737 458 HD1 PHE 61 HD1 PHE 61 -17.170 12.548 -5.117 459 HD2 PHE 61 HD2 PHE 61 -15.413 15.853 -7.144 460 HE1 PHE 61 HE1 PHE 61 -19.391 13.224 -5.932 461 HE2 PHE 61 HE2 PHE 61 -17.631 16.535 -7.961 462 HZ PHE 61 HZ PHE 61 -19.624 15.221 -7.355 463 H ILE 62 H ILE 62 -14.004 12.383 -2.269 464 HA ILE 62 HA ILE 62 -11.101 12.533 -2.760 465 HB ILE 62 HB ILE 62 -12.523 12.164 -0.121 466 HG12 ILE 62 1HG1 ILE 62 -10.741 14.371 -1.176 467 HG13 ILE 62 2HG1 ILE 62 -12.473 14.483 -0.882 468 HG21 ILE 62 1HG2 ILE 62 -10.562 10.744 -0.210 469 HG22 ILE 62 2HG2 ILE 62 -9.576 12.100 -0.754 470 HG23 ILE 62 3HG2 ILE 62 -10.269 12.109 0.867 471 HD11 ILE 62 3HD1 ILE 62 -10.232 14.345 1.087 472 HD12 ILE 62 1HD1 ILE 62 -11.538 15.523 0.960 473 HD13 ILE 62 2HD1 ILE 62 -11.873 13.893 1.548 474 H GLY 63 H GLY 63 -10.340 10.699 -3.568 475 HA2 GLY 63 1HA GLY 63 -9.970 8.456 -3.898 476 HA3 GLY 63 2HA GLY 63 -10.719 8.188 -2.331 477 H SER 64 H SER 64 -12.652 7.224 -2.264 478 HA SER 64 HA SER 64 -14.168 7.019 -4.783 479 HB2 SER 64 1HB SER 64 -13.079 4.880 -4.238 480 HB3 SER 64 2HB SER 64 -13.854 4.887 -2.654 481 HG SER 64 HG SER 64 -15.448 3.931 -3.617 482 H VAL 65 H VAL 65 -14.257 8.610 -2.079 483 HA VAL 65 HA VAL 65 -17.147 8.208 -1.656 484 HB VAL 65 HB VAL 65 -15.218 9.175 0.452 485 HG11 VAL 65 1HG1 VAL 65 -18.143 8.579 0.368 486 HG12 VAL 65 2HG1 VAL 65 -17.250 8.377 1.877 487 HG13 VAL 65 3HG1 VAL 65 -17.296 9.951 1.082 488 HG21 VAL 65 3HG2 VAL 65 -15.787 6.849 1.448 489 HG22 VAL 65 1HG2 VAL 65 -16.167 6.419 -0.220 490 HG23 VAL 65 2HG2 VAL 65 -14.546 6.971 0.201 491 H HIS 66 H HIS 66 -18.391 10.075 -1.213 492 HA HIS 66 HA HIS 66 -17.210 12.525 -2.307 493 HB2 HIS 66 1HB HIS 66 -19.198 11.844 -3.464 494 HB3 HIS 66 2HB HIS 66 -20.078 11.645 -1.951 495 HD1 HIS 66 HD1 HIS 66 -21.889 13.317 -2.782 496 HD2 HIS 66 HD2 HIS 66 -18.082 14.942 -2.419 497 HE1 HIS 66 HE1 HIS 66 -22.207 15.809 -2.903 498 H VAL 67 H VAL 67 -16.224 13.559 -0.645 499 HA VAL 67 HA VAL 67 -16.939 13.625 2.017 500 HB VAL 67 HB VAL 67 -15.627 15.808 0.394 501 HG11 VAL 67 1HG1 VAL 67 -16.396 16.874 2.345 502 HG12 VAL 67 2HG1 VAL 67 -15.993 15.488 3.360 503 HG13 VAL 67 3HG1 VAL 67 -14.708 16.480 2.667 504 HG21 VAL 67 3HG2 VAL 67 -14.684 13.323 1.691 505 HG22 VAL 67 1HG2 VAL 67 -14.080 14.158 0.259 506 HG23 VAL 67 2HG2 VAL 67 -13.658 14.747 1.867 507 H GLY 68 H GLY 68 -17.362 16.543 0.040 508 HA2 GLY 68 1HA GLY 68 -20.039 16.930 0.031 509 HA3 GLY 68 2HA GLY 68 -19.600 17.352 1.680 510 H GLY 69 H GLY 69 -19.428 19.469 1.950 511 HA2 GLY 69 1HA GLY 69 -18.065 21.030 -0.145 512 HA3 GLY 69 2HA GLY 69 -19.606 21.578 0.497 513 H CYS 70 H CYS 70 -18.736 23.509 1.273 514 HA CYS 70 HA CYS 70 -16.449 23.802 2.821 515 HB2 CYS 70 1HB CYS 70 -17.577 25.732 1.913 516 HB3 CYS 70 2HB CYS 70 -19.024 25.384 2.852 517 HG CYS 70 HG CYS 70 -18.380 26.896 4.811 518 H ASP 71 H ASP 71 -19.785 23.165 3.845 519 HA ASP 71 HA ASP 71 -19.379 23.265 6.605 520 HB2 ASP 71 1HB ASP 71 -21.605 23.181 5.523 521 HB3 ASP 71 2HB ASP 71 -21.315 21.497 5.094 522 H ASP 72 H ASP 72 -19.232 20.478 4.401 523 HA ASP 72 HA ASP 72 -18.564 18.574 6.369 524 HB2 ASP 72 1HB ASP 72 -18.062 18.604 3.388 525 HB3 ASP 72 2HB ASP 72 -17.762 17.208 4.419 526 H LEU 73 H LEU 73 -16.500 20.288 4.022 527 HA LEU 73 HA LEU 73 -14.053 19.256 4.846 528 HB2 LEU 73 1HB LEU 73 -14.814 20.935 2.907 529 HB3 LEU 73 2HB LEU 73 -14.134 22.103 4.039 530 HG LEU 73 HG LEU 73 -12.606 19.717 3.016 531 HD11 LEU 73 1HD1 LEU 73 -13.455 21.570 1.327 532 HD12 LEU 73 2HD1 LEU 73 -11.833 20.885 1.223 533 HD13 LEU 73 3HD1 LEU 73 -12.081 22.452 1.993 534 HD21 LEU 73 3HD2 LEU 73 -11.037 20.375 4.438 535 HD22 LEU 73 1HD2 LEU 73 -12.130 21.616 5.053 536 HD23 LEU 73 2HD2 LEU 73 -11.033 21.988 3.722 537 H TYR 74 H TYR 74 -15.913 21.968 6.108 538 HA TYR 74 HA TYR 74 -13.892 22.890 7.891 539 HB2 TYR 74 1HB TYR 74 -16.798 23.436 7.489 540 HB3 TYR 74 2HB TYR 74 -16.065 23.919 9.015 541 HD1 TYR 74 HD1 TYR 74 -14.571 23.956 5.607 542 HD2 TYR 74 HD2 TYR 74 -16.001 26.251 8.892 543 HE1 TYR 74 HE1 TYR 74 -13.716 26.002 4.542 544 HE2 TYR 74 HE2 TYR 74 -15.151 28.303 7.836 545 HH TYR 74 HH TYR 74 -13.786 29.102 6.200 546 H ALA 75 H ALA 75 -16.582 20.638 8.158 547 HA ALA 75 HA ALA 75 -16.359 20.295 10.988 548 HB1 ALA 75 1HB ALA 75 -17.684 18.090 10.231 549 HB2 ALA 75 2HB ALA 75 -18.448 19.672 10.394 550 HB3 ALA 75 3HB ALA 75 -17.944 19.096 8.806 551 H LEU 76 H LEU 76 -14.892 18.829 8.191 552 HA LEU 76 HA LEU 76 -13.881 16.537 9.606 553 HB2 LEU 76 1HB LEU 76 -13.582 17.660 6.862 554 HB3 LEU 76 2HB LEU 76 -12.405 16.478 7.431 555 HG LEU 76 HG LEU 76 -14.595 15.802 6.071 556 HD11 LEU 76 1HD1 LEU 76 -14.199 13.603 6.734 557 HD12 LEU 76 2HD1 LEU 76 -13.733 14.078 8.367 558 HD13 LEU 76 3HD1 LEU 76 -12.656 14.411 7.010 559 HD21 LEU 76 3HD2 LEU 76 -16.068 16.771 7.838 560 HD22 LEU 76 1HD2 LEU 76 -15.471 15.531 8.942 561 HD23 LEU 76 2HD2 LEU 76 -16.368 15.066 7.497 562 H GLU 77 H GLU 77 -12.422 19.481 8.227 563 HA GLU 77 HA GLU 77 -9.805 19.052 9.042 564 HB2 GLU 77 1HB GLU 77 -9.736 20.904 7.774 565 HB3 GLU 77 2HB GLU 77 -11.402 21.323 8.150 566 HG2 GLU 77 1HG GLU 77 -9.955 23.084 8.886 567 HG3 GLU 77 2HG GLU 77 -10.650 22.278 10.292 568 H ASP 78 H ASP 78 -12.503 20.493 10.809 569 HA ASP 78 HA ASP 78 -11.150 21.439 13.041 570 HB2 ASP 78 1HB ASP 78 -13.701 21.513 12.334 571 HB3 ASP 78 2HB ASP 78 -13.806 20.126 13.415 572 H GLU 79 H GLU 79 -11.890 18.187 12.101 573 HA GLU 79 HA GLU 79 -11.064 17.177 14.731 574 HB2 GLU 79 1HB GLU 79 -12.176 15.542 12.456 575 HB3 GLU 79 2HB GLU 79 -12.075 15.103 14.155 576 HG2 GLU 79 1HG GLU 79 -13.597 17.377 14.222 577 HG3 GLU 79 2HG GLU 79 -14.117 16.606 12.725 578 H GLY 80 H GLY 80 -10.014 17.546 11.485 579 HA2 GLY 80 1HA GLY 80 -7.910 17.180 10.594 580 HA3 GLY 80 2HA GLY 80 -7.420 16.491 12.135 581 H LYS 81 H LYS 81 -10.217 15.339 10.391 582 HA LYS 81 HA LYS 81 -8.997 12.709 10.206 583 HB2 LYS 81 1HB LYS 81 -11.785 13.604 9.452 584 HB3 LYS 81 2HB LYS 81 -11.228 11.940 9.572 585 HG2 LYS 81 1HG LYS 81 -11.098 13.783 11.927 586 HG3 LYS 81 2HG LYS 81 -12.584 12.925 11.513 587 HD2 LYS 81 1HD LYS 81 -11.664 11.388 12.921 588 HD3 LYS 81 2HD LYS 81 -10.909 10.864 11.414 589 HE2 LYS 81 1HE LYS 81 -8.854 11.686 11.999 590 HE3 LYS 81 2HE LYS 81 -9.531 12.945 13.030 591 HZ1 LYS 81 3HZ LYS 81 -8.352 10.992 14.140 592 HZ2 LYS 81 1HZ LYS 81 -9.738 10.095 13.771 593 HZ3 LYS 81 2HZ LYS 81 -9.854 11.457 14.766 594 H LEU 82 H LEU 82 -9.760 15.389 8.161 595 HA LEU 82 HA LEU 82 -10.013 14.232 5.670 596 HB2 LEU 82 1HB LEU 82 -9.047 16.825 6.693 597 HB3 LEU 82 2HB LEU 82 -8.561 16.414 5.050 598 HG LEU 82 HG LEU 82 -11.434 16.108 5.668 599 HD11 LEU 82 1HD1 LEU 82 -11.905 18.468 5.485 600 HD12 LEU 82 2HD1 LEU 82 -10.183 18.836 5.381 601 HD13 LEU 82 3HD1 LEU 82 -10.856 18.179 6.873 602 HD21 LEU 82 3HD2 LEU 82 -11.533 17.258 3.417 603 HD22 LEU 82 1HD2 LEU 82 -10.753 15.677 3.449 604 HD23 LEU 82 2HD2 LEU 82 -9.773 17.142 3.383 605 H ASP 83 H ASP 83 -7.071 14.910 7.500 606 HA ASP 83 HA ASP 83 -5.146 14.415 5.586 607 HB2 ASP 83 1HB ASP 83 -5.241 14.051 8.553 608 HB3 ASP 83 2HB ASP 83 -3.853 13.429 7.664 609 H SER 84 H SER 84 -7.029 12.116 7.477 610 HA SER 84 HA SER 84 -5.590 9.834 6.456 611 HB2 SER 84 1HB SER 84 -8.248 9.766 7.883 612 HB3 SER 84 2HB SER 84 -7.010 8.511 7.822 613 HG SER 84 HG SER 84 -5.698 9.782 9.119 614 H LEU 85 H LEU 85 -8.491 11.604 5.679 615 HA LEU 85 HA LEU 85 -9.648 9.624 3.989 616 HB2 LEU 85 1HB LEU 85 -10.152 12.448 4.663 617 HB3 LEU 85 2HB LEU 85 -10.704 11.935 3.070 618 HG LEU 85 HG LEU 85 -12.167 10.304 4.025 619 HD11 LEU 85 1HD1 LEU 85 -10.828 10.992 6.630 620 HD12 LEU 85 2HD1 LEU 85 -10.874 9.430 5.813 621 HD13 LEU 85 3HD1 LEU 85 -12.345 10.098 6.520 622 HD21 LEU 85 3HD2 LEU 85 -13.613 11.970 4.262 623 HD22 LEU 85 1HD2 LEU 85 -12.318 13.095 4.673 624 HD23 LEU 85 2HD2 LEU 85 -13.088 12.137 5.938 625 H LEU 86 H LEU 86 -7.393 12.266 3.511 626 HA LEU 86 HA LEU 86 -7.443 12.043 0.635 627 HB2 LEU 86 1HB LEU 86 -5.615 13.687 0.711 628 HB3 LEU 86 2HB LEU 86 -7.041 14.202 1.609 629 HG LEU 86 HG LEU 86 -5.736 13.257 3.666 630 HD11 LEU 86 1HD1 LEU 86 -3.861 12.806 1.624 631 HD12 LEU 86 2HD1 LEU 86 -3.637 12.617 3.362 632 HD13 LEU 86 3HD1 LEU 86 -3.242 14.149 2.585 633 HD21 LEU 86 3HD2 LEU 86 -5.510 15.846 2.241 634 HD22 LEU 86 1HD2 LEU 86 -4.399 15.555 3.580 635 HD23 LEU 86 2HD2 LEU 86 -6.141 15.484 3.849 636 H LYS 87 H LYS 87 -5.743 10.597 3.244 637 HA LYS 87 HA LYS 87 -3.535 9.703 1.572 638 HB2 LYS 87 1HB LYS 87 -3.562 10.358 4.159 639 HB3 LYS 87 2HB LYS 87 -3.935 8.648 4.327 640 HG2 LYS 87 1HG LYS 87 -1.866 8.408 2.698 641 HG3 LYS 87 2HG LYS 87 -1.445 9.970 3.406 642 HD2 LYS 87 1HD LYS 87 -2.272 7.776 5.237 643 HD3 LYS 87 2HD LYS 87 -0.670 7.685 4.501 644 HE2 LYS 87 1HE LYS 87 -1.553 10.234 5.776 645 HE3 LYS 87 2HE LYS 87 -1.024 8.899 6.798 646 HZ1 LYS 87 3HZ LYS 87 0.569 10.124 4.611 647 HZ2 LYS 87 1HZ LYS 87 1.075 8.860 5.616 648 HZ3 LYS 87 2HZ LYS 87 0.798 10.398 6.264 649 H THR 88 H THR 88 -6.282 8.319 3.334 650 HA THR 88 HA THR 88 -5.753 5.682 2.227 651 HB THR 88 HB THR 88 -7.494 4.862 3.632 652 HG1 THR 88 HG1 THR 88 -8.221 7.402 4.571 653 HG21 THR 88 3HG2 THR 88 -5.958 7.037 5.057 654 HG22 THR 88 1HG2 THR 88 -5.462 5.359 4.842 655 HG23 THR 88 2HG2 THR 88 -6.847 5.745 5.863 656 H GLY 89 H GLY 89 -8.150 8.267 1.953 657 HA2 GLY 89 1HA GLY 89 -9.351 8.771 -0.006 658 HA3 GLY 89 2HA GLY 89 -8.963 7.174 -0.628 659 H LYS 90 H LYS 90 -10.163 7.432 2.599 660 HA LYS 90 HA LYS 90 -12.923 6.991 1.823 661 HB2 LYS 90 1HB LYS 90 -11.258 4.868 3.176 662 HB3 LYS 90 2HB LYS 90 -13.016 4.869 3.204 663 HG2 LYS 90 1HG LYS 90 -12.714 3.524 1.414 664 HG3 LYS 90 2HG LYS 90 -12.658 5.076 0.575 665 HD2 LYS 90 1HD LYS 90 -10.743 4.187 -0.260 666 HD3 LYS 90 2HD LYS 90 -10.076 4.861 1.229 667 HE2 LYS 90 1HE LYS 90 -11.109 2.042 1.013 668 HE3 LYS 90 2HE LYS 90 -9.429 2.477 0.703 669 HZ1 LYS 90 3HZ LYS 90 -10.880 2.354 3.224 670 HZ2 LYS 90 1HZ LYS 90 -9.767 3.618 3.062 671 HZ3 LYS 90 2HZ LYS 90 -9.257 2.014 2.891 672 H LEU 91 H LEU 91 -14.384 7.417 3.459 673 HA LEU 91 HA LEU 91 -13.214 8.382 5.986 674 HB2 LEU 91 1HB LEU 91 -14.705 10.156 6.048 675 HB3 LEU 91 2HB LEU 91 -14.236 10.072 4.351 676 HG LEU 91 HG LEU 91 -16.453 8.578 4.250 677 HD11 LEU 91 1HD1 LEU 91 -16.584 9.323 6.842 678 HD12 LEU 91 2HD1 LEU 91 -17.990 8.949 5.847 679 HD13 LEU 91 3HD1 LEU 91 -17.498 10.626 6.083 680 HD21 LEU 91 3HD2 LEU 91 -16.585 11.585 4.280 681 HD22 LEU 91 1HD2 LEU 91 -17.550 10.462 3.321 682 HD23 LEU 91 2HD2 LEU 91 -15.831 10.662 2.979 683 H ILE 92 H ILE 92 -14.049 7.648 7.860 684 HA ILE 92 HA ILE 92 -16.120 5.591 7.677 685 HB ILE 92 HB ILE 92 -14.418 6.297 10.067 686 HG12 ILE 92 1HG1 ILE 92 -12.991 5.607 8.201 687 HG13 ILE 92 2HG1 ILE 92 -13.031 4.359 9.442 688 HG21 ILE 92 1HG2 ILE 92 -16.654 4.579 9.706 689 HG22 ILE 92 2HG2 ILE 92 -15.230 3.585 10.011 690 HG23 ILE 92 3HG2 ILE 92 -15.689 4.843 11.158 691 HD11 ILE 92 3HD1 ILE 92 -15.104 3.824 7.582 692 HD12 ILE 92 1HD1 ILE 92 -13.614 4.129 6.689 693 HD13 ILE 92 2HD1 ILE 92 -13.657 2.878 7.932 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -3.169 -1.122 0.802 2 HA2 GLY 1 1HA GLY 1 -3.442 -1.664 -1.422 3 HA3 GLY 1 2HA GLY 1 -3.860 0.015 -1.728 4 HA PRO 2 HA PRO 2 0.293 -0.976 -3.635 5 HB2 PRO 2 1HB PRO 2 -0.366 -0.175 -6.144 6 HB3 PRO 2 2HB PRO 2 -0.633 -1.822 -5.560 7 HG2 PRO 2 1HG PRO 2 -2.573 0.447 -5.781 8 HG3 PRO 2 2HG PRO 2 -2.799 -1.262 -6.197 9 HD2 PRO 2 1HD PRO 2 -3.722 -0.191 -3.888 10 HD3 PRO 2 2HD PRO 2 -3.175 -1.875 -4.007 11 H GLY 3 H GLY 3 -1.922 1.753 -4.148 12 HA2 GLY 3 1HA GLY 3 0.354 3.561 -4.487 13 HA3 GLY 3 2HA GLY 3 -1.337 3.961 -4.756 14 H SER 4 H SER 4 0.078 5.766 -3.410 15 HA SER 4 HA SER 4 -0.839 5.423 -0.633 16 HB2 SER 4 1HB SER 4 1.591 7.064 -1.299 17 HB3 SER 4 2HB SER 4 1.119 6.360 0.248 18 HG SER 4 HG SER 4 2.856 5.255 -0.892 19 H MET 5 H MET 5 -2.104 6.688 -2.970 20 HA MET 5 HA MET 5 -2.934 9.103 -1.696 21 HB2 MET 5 1HB MET 5 -0.723 9.654 -2.925 22 HB3 MET 5 2HB MET 5 -1.681 9.525 -4.394 23 HG2 MET 5 1HG MET 5 -3.146 11.291 -3.636 24 HG3 MET 5 2HG MET 5 -2.281 11.381 -2.104 25 HE1 MET 5 3HE MET 5 0.611 13.621 -2.703 26 HE2 MET 5 1HE MET 5 -0.807 13.307 -1.701 27 HE3 MET 5 2HE MET 5 0.368 12.025 -1.990 28 H VAL 6 H VAL 6 -4.837 9.948 -2.583 29 HA VAL 6 HA VAL 6 -6.019 8.337 -4.752 30 HB VAL 6 HB VAL 6 -8.235 8.774 -3.678 31 HG11 VAL 6 1HG1 VAL 6 -6.506 6.766 -3.250 32 HG12 VAL 6 2HG1 VAL 6 -6.699 7.350 -1.596 33 HG13 VAL 6 3HG1 VAL 6 -8.110 6.835 -2.522 34 HG21 VAL 6 3HG2 VAL 6 -6.799 10.574 -2.136 35 HG22 VAL 6 1HG2 VAL 6 -8.466 10.062 -1.872 36 HG23 VAL 6 2HG2 VAL 6 -7.149 9.245 -1.030 37 H ASP 7 H ASP 7 -7.115 9.389 -6.349 38 HA ASP 7 HA ASP 7 -6.503 12.091 -6.851 39 HB2 ASP 7 1HB ASP 7 -6.898 10.765 -8.753 40 HB3 ASP 7 2HB ASP 7 -8.412 10.135 -8.109 41 H VAL 8 H VAL 8 -7.441 13.914 -6.209 42 HA VAL 8 HA VAL 8 -10.091 13.741 -4.933 43 HB VAL 8 HB VAL 8 -7.951 15.829 -4.490 44 HG11 VAL 8 1HG1 VAL 8 -9.907 16.925 -3.970 45 HG12 VAL 8 2HG1 VAL 8 -10.723 15.450 -3.450 46 HG13 VAL 8 3HG1 VAL 8 -9.501 16.194 -2.417 47 HG21 VAL 8 3HG2 VAL 8 -7.625 14.777 -2.310 48 HG22 VAL 8 1HG2 VAL 8 -8.804 13.533 -2.727 49 HG23 VAL 8 2HG2 VAL 8 -7.285 13.642 -3.617 50 H ILE 9 H ILE 9 -11.707 14.591 -6.050 51 HA ILE 9 HA ILE 9 -11.116 16.752 -7.964 52 HB ILE 9 HB ILE 9 -13.498 14.906 -8.065 53 HG12 ILE 9 1HG1 ILE 9 -10.878 14.703 -9.565 54 HG13 ILE 9 2HG1 ILE 9 -11.445 13.591 -8.324 55 HG21 ILE 9 1HG2 ILE 9 -12.836 17.300 -9.410 56 HG22 ILE 9 2HG2 ILE 9 -12.701 15.987 -10.578 57 HG23 ILE 9 3HG2 ILE 9 -14.208 16.230 -9.697 58 HD11 ILE 9 3HD1 ILE 9 -13.504 13.613 -10.150 59 HD12 ILE 9 1HD1 ILE 9 -12.056 13.692 -11.153 60 HD13 ILE 9 2HD1 ILE 9 -12.256 12.378 -9.994 61 H ILE 10 H ILE 10 -12.017 18.677 -7.628 62 HA ILE 10 HA ILE 10 -14.208 18.859 -5.665 63 HB ILE 10 HB ILE 10 -12.147 19.937 -4.889 64 HG12 ILE 10 1HG1 ILE 10 -13.722 22.344 -5.460 65 HG13 ILE 10 2HG1 ILE 10 -14.689 20.994 -4.876 66 HG21 ILE 10 1HG2 ILE 10 -11.296 21.939 -6.044 67 HG22 ILE 10 2HG2 ILE 10 -11.143 20.480 -7.021 68 HG23 ILE 10 3HG2 ILE 10 -12.428 21.638 -7.362 69 HD11 ILE 10 3HD1 ILE 10 -12.318 21.268 -3.289 70 HD12 ILE 10 1HD1 ILE 10 -13.187 22.800 -3.369 71 HD13 ILE 10 2HD1 ILE 10 -14.012 21.347 -2.803 72 H TYR 11 H TYR 11 -16.047 19.898 -6.210 73 HA TYR 11 HA TYR 11 -16.197 20.994 -8.937 74 HB2 TYR 11 1HB TYR 11 -17.905 19.193 -7.434 75 HB3 TYR 11 2HB TYR 11 -18.806 20.583 -8.030 76 HD1 TYR 11 HD1 TYR 11 -15.974 18.677 -9.541 77 HD2 TYR 11 HD2 TYR 11 -20.049 19.860 -9.847 78 HE1 TYR 11 HE1 TYR 11 -16.104 17.632 -11.764 79 HE2 TYR 11 HE2 TYR 11 -20.191 18.817 -12.070 80 HH TYR 11 HH TYR 11 -18.554 16.678 -13.208 81 H THR 12 H THR 12 -16.245 23.131 -9.019 82 HA THR 12 HA THR 12 -17.862 24.592 -7.053 83 HB THR 12 HB THR 12 -16.219 26.224 -6.625 84 HG1 THR 12 HG1 THR 12 -14.127 26.044 -7.795 85 HG21 THR 12 3HG2 THR 12 -14.583 25.036 -5.485 86 HG22 THR 12 1HG2 THR 12 -14.462 23.801 -6.738 87 HG23 THR 12 2HG2 THR 12 -15.861 23.834 -5.664 88 H ARG 13 H ARG 13 -18.681 26.603 -7.780 89 HA ARG 13 HA ARG 13 -18.858 26.772 -10.699 90 HB2 ARG 13 1HB ARG 13 -20.845 28.133 -10.334 91 HB3 ARG 13 2HB ARG 13 -20.968 26.620 -9.446 92 HG2 ARG 13 1HG ARG 13 -20.718 27.649 -7.394 93 HG3 ARG 13 2HG ARG 13 -19.934 29.070 -8.088 94 HD2 ARG 13 1HD ARG 13 -21.884 30.115 -8.328 95 HD3 ARG 13 2HD ARG 13 -22.588 28.729 -9.160 96 HE ARG 13 HE ARG 13 -22.642 27.974 -6.568 97 HH11 ARG 13 1HH1 ARG 13 -23.725 30.830 -8.239 98 HH12 ARG 13 2HH1 ARG 13 -25.025 31.140 -7.137 99 HH21 ARG 13 1HH2 ARG 13 -24.350 28.372 -5.110 100 HH22 ARG 13 2HH2 ARG 13 -25.379 29.742 -5.356 101 HA PRO 14 HA PRO 14 -16.504 30.466 -10.988 102 HB2 PRO 14 1HB PRO 14 -17.786 31.760 -13.001 103 HB3 PRO 14 2HB PRO 14 -16.784 30.327 -13.264 104 HG2 PRO 14 1HG PRO 14 -19.762 30.542 -13.043 105 HG3 PRO 14 2HG PRO 14 -18.790 29.594 -14.184 106 HD2 PRO 14 1HD PRO 14 -19.954 28.497 -11.999 107 HD3 PRO 14 2HD PRO 14 -18.413 27.908 -12.657 108 H GLY 15 H GLY 15 -17.497 31.011 -8.775 109 HA2 GLY 15 1HA GLY 15 -17.836 33.443 -8.092 110 HA3 GLY 15 2HA GLY 15 -19.325 33.315 -9.016 111 H CYS 16 H CYS 16 -17.622 31.517 -6.447 112 HA CYS 16 HA CYS 16 -20.052 31.610 -4.833 113 HB2 CYS 16 1HB CYS 16 -19.792 29.149 -4.320 114 HB3 CYS 16 2HB CYS 16 -20.369 29.523 -5.941 115 HA PRO 17 HA PRO 17 -16.902 32.497 -1.831 116 HB2 PRO 17 1HB PRO 17 -18.566 32.679 0.307 117 HB3 PRO 17 2HB PRO 17 -18.420 33.955 -0.908 118 HG2 PRO 17 1HG PRO 17 -20.504 31.823 -0.643 119 HG3 PRO 17 2HG PRO 17 -20.705 33.542 -1.027 120 HD2 PRO 17 1HD PRO 17 -20.751 31.610 -2.924 121 HD3 PRO 17 2HD PRO 17 -20.132 33.243 -3.240 122 H TYR 18 H TYR 18 -19.461 30.141 -1.052 123 HA TYR 18 HA TYR 18 -18.231 28.806 1.024 124 HB2 TYR 18 1HB TYR 18 -20.062 27.760 -1.138 125 HB3 TYR 18 2HB TYR 18 -19.575 26.803 0.257 126 HD1 TYR 18 HD2 TYR 18 -20.074 27.827 2.588 127 HD2 TYR 18 HD1 TYR 18 -21.946 29.117 -1.009 128 HE1 TYR 18 HE2 TYR 18 -21.915 28.796 3.900 129 HE2 TYR 18 HE1 TYR 18 -23.791 30.091 0.294 130 HH TYR 18 HH TYR 18 -24.173 30.937 2.597 131 H CYS 19 H CYS 19 -17.723 28.462 -2.437 132 HA CYS 19 HA CYS 19 -16.087 26.137 -2.269 133 HB2 CYS 19 1HB CYS 19 -15.976 28.158 -4.499 134 HB3 CYS 19 2HB CYS 19 -15.697 26.421 -4.581 135 H ALA 20 H ALA 20 -15.355 29.594 -2.691 136 HA ALA 20 HA ALA 20 -12.618 29.502 -2.880 137 HB1 ALA 20 1HB ALA 20 -12.871 31.704 -2.877 138 HB2 ALA 20 2HB ALA 20 -14.558 31.485 -2.410 139 HB3 ALA 20 3HB ALA 20 -13.320 31.684 -1.171 140 H ARG 21 H ARG 21 -14.569 29.524 0.088 141 HA ARG 21 HA ARG 21 -12.434 29.567 1.909 142 HB2 ARG 21 1HB ARG 21 -15.312 28.811 2.033 143 HB3 ARG 21 2HB ARG 21 -14.274 28.291 3.353 144 HG2 ARG 21 1HG ARG 21 -13.843 30.452 4.045 145 HG3 ARG 21 2HG ARG 21 -14.254 31.144 2.474 146 HD2 ARG 21 1HD ARG 21 -16.130 31.717 3.636 147 HD3 ARG 21 2HD ARG 21 -16.626 30.129 3.052 148 HE ARG 21 HE ARG 21 -16.622 29.377 5.211 149 HH11 ARG 21 1HH1 ARG 21 -14.843 32.365 5.047 150 HH12 ARG 21 2HH1 ARG 21 -14.670 32.507 6.765 151 HH21 ARG 21 1HH2 ARG 21 -16.400 29.553 7.475 152 HH22 ARG 21 2HH2 ARG 21 -15.555 30.907 8.145 153 H ALA 22 H ALA 22 -14.320 26.816 0.658 154 HA ALA 22 HA ALA 22 -12.995 24.777 2.001 155 HB1 ALA 22 1HB ALA 22 -14.822 23.928 0.973 156 HB2 ALA 22 2HB ALA 22 -14.639 24.959 -0.447 157 HB3 ALA 22 3HB ALA 22 -13.641 23.515 -0.271 158 H LYS 23 H LYS 23 -12.364 25.962 -1.306 159 HA LYS 23 HA LYS 23 -10.165 24.386 -1.888 160 HB2 LYS 23 1HB LYS 23 -10.480 27.265 -2.744 161 HB3 LYS 23 2HB LYS 23 -9.606 25.992 -3.585 162 HG2 LYS 23 1HG LYS 23 -12.184 25.001 -3.336 163 HG3 LYS 23 2HG LYS 23 -12.399 26.712 -3.714 164 HD2 LYS 23 1HD LYS 23 -10.718 24.751 -5.275 165 HD3 LYS 23 2HD LYS 23 -12.307 25.357 -5.747 166 HE2 LYS 23 1HE LYS 23 -10.860 27.654 -5.253 167 HE3 LYS 23 2HE LYS 23 -9.681 26.584 -6.012 168 HZ1 LYS 23 3HZ LYS 23 -10.599 27.027 -7.960 169 HZ2 LYS 23 1HZ LYS 23 -11.745 28.034 -7.229 170 HZ3 LYS 23 2HZ LYS 23 -12.076 26.389 -7.438 171 H ALA 24 H ALA 24 -10.226 27.591 -0.351 172 HA ALA 24 HA ALA 24 -7.487 27.970 -0.069 173 HB1 ALA 24 1HB ALA 24 -7.989 29.639 1.520 174 HB2 ALA 24 2HB ALA 24 -9.349 29.623 0.396 175 HB3 ALA 24 3HB ALA 24 -9.503 28.857 1.977 176 H LEU 25 H LEU 25 -9.764 26.299 2.071 177 HA LEU 25 HA LEU 25 -7.976 25.772 4.169 178 HB2 LEU 25 1HB LEU 25 -10.637 25.279 3.643 179 HB3 LEU 25 2HB LEU 25 -9.933 23.665 3.709 180 HG LEU 25 HG LEU 25 -10.056 25.738 5.882 181 HD11 LEU 25 1HD1 LEU 25 -10.714 22.922 6.378 182 HD12 LEU 25 2HD1 LEU 25 -11.776 23.745 5.236 183 HD13 LEU 25 3HD1 LEU 25 -11.559 24.392 6.863 184 HD21 LEU 25 3HD2 LEU 25 -8.315 23.289 5.705 185 HD22 LEU 25 1HD2 LEU 25 -8.732 24.075 7.228 186 HD23 LEU 25 2HD2 LEU 25 -7.819 24.956 6.002 187 H LEU 26 H LEU 26 -8.974 23.688 1.455 188 HA LEU 26 HA LEU 26 -7.282 21.539 2.051 189 HB2 LEU 26 1HB LEU 26 -8.695 22.495 -0.387 190 HB3 LEU 26 2HB LEU 26 -7.475 21.236 -0.563 191 HG LEU 26 HG LEU 26 -9.602 20.834 1.474 192 HD11 LEU 26 1HD1 LEU 26 -10.123 20.196 -1.410 193 HD12 LEU 26 2HD1 LEU 26 -10.661 21.708 -0.681 194 HD13 LEU 26 3HD1 LEU 26 -11.245 20.168 -0.050 195 HD21 LEU 26 3HD2 LEU 26 -9.351 18.505 0.267 196 HD22 LEU 26 1HD2 LEU 26 -8.176 19.047 1.466 197 HD23 LEU 26 2HD2 LEU 26 -7.814 19.199 -0.254 198 H ALA 27 H ALA 27 -6.690 24.560 0.416 199 HA ALA 27 HA ALA 27 -4.195 23.798 -0.752 200 HB1 ALA 27 1HB ALA 27 -5.428 25.599 -1.741 201 HB2 ALA 27 2HB ALA 27 -5.410 26.505 -0.227 202 HB3 ALA 27 3HB ALA 27 -3.909 26.242 -1.115 203 H ARG 28 H ARG 28 -5.200 24.967 2.353 204 HA ARG 28 HA ARG 28 -2.752 26.038 3.249 205 HB2 ARG 28 1HB ARG 28 -4.935 26.411 4.364 206 HB3 ARG 28 2HB ARG 28 -4.930 24.732 4.888 207 HG2 ARG 28 1HG ARG 28 -2.552 26.321 5.603 208 HG3 ARG 28 2HG ARG 28 -4.062 26.762 6.402 209 HD2 ARG 28 1HD ARG 28 -4.302 24.247 6.878 210 HD3 ARG 28 2HD ARG 28 -2.590 24.149 6.466 211 HE ARG 28 HE ARG 28 -3.130 26.171 8.411 212 HH11 ARG 28 1HH1 ARG 28 -2.630 22.756 7.959 213 HH12 ARG 28 2HH1 ARG 28 -2.065 22.492 9.575 214 HH21 ARG 28 1HH2 ARG 28 -2.388 25.837 10.542 215 HH22 ARG 28 2HH2 ARG 28 -1.928 24.245 11.044 216 H LYS 29 H LYS 29 -4.199 22.822 3.758 217 HA LYS 29 HA LYS 29 -1.926 21.764 5.094 218 HB2 LYS 29 1HB LYS 29 -3.031 19.576 4.766 219 HB3 LYS 29 2HB LYS 29 -4.118 20.786 5.433 220 HG2 LYS 29 1HG LYS 29 -4.797 21.159 2.952 221 HG3 LYS 29 2HG LYS 29 -4.092 19.558 2.715 222 HD2 LYS 29 1HD LYS 29 -6.284 20.251 4.671 223 HD3 LYS 29 2HD LYS 29 -6.502 19.425 3.126 224 HE2 LYS 29 1HE LYS 29 -6.401 17.608 4.492 225 HE3 LYS 29 2HE LYS 29 -4.679 17.805 4.168 226 HZ1 LYS 29 3HZ LYS 29 -4.286 18.621 6.255 227 HZ2 LYS 29 1HZ LYS 29 -5.541 17.538 6.593 228 HZ3 LYS 29 2HZ LYS 29 -5.863 19.194 6.468 229 H GLY 30 H GLY 30 -2.619 22.363 1.812 230 HA2 GLY 30 1HA GLY 30 -1.052 22.208 0.071 231 HA3 GLY 30 2HA GLY 30 -0.113 21.087 1.045 232 H ALA 31 H ALA 31 -3.492 20.499 0.787 233 HA ALA 31 HA ALA 31 -2.994 18.004 -0.570 234 HB1 ALA 31 1HB ALA 31 -5.294 17.496 -0.141 235 HB2 ALA 31 2HB ALA 31 -4.612 18.235 1.309 236 HB3 ALA 31 3HB ALA 31 -5.646 19.182 0.239 237 H GLU 32 H GLU 32 -2.835 17.880 -2.705 238 HA GLU 32 HA GLU 32 -3.801 19.941 -4.438 239 HB2 GLU 32 1HB GLU 32 -2.847 18.659 -6.227 240 HB3 GLU 32 2HB GLU 32 -1.736 18.602 -4.866 241 HG2 GLU 32 1HG GLU 32 -2.987 16.382 -4.308 242 HG3 GLU 32 2HG GLU 32 -3.443 16.446 -6.009 243 H PHE 33 H PHE 33 -5.516 19.919 -5.840 244 HA PHE 33 HA PHE 33 -7.199 17.568 -6.056 245 HB2 PHE 33 1HB PHE 33 -9.241 18.819 -5.352 246 HB3 PHE 33 2HB PHE 33 -8.102 18.540 -4.039 247 HD1 PHE 33 HD1 PHE 33 -9.249 21.086 -6.475 248 HD2 PHE 33 HD2 PHE 33 -7.253 20.323 -2.793 249 HE1 PHE 33 HE1 PHE 33 -9.230 23.498 -5.989 250 HE2 PHE 33 HE2 PHE 33 -7.232 22.733 -2.301 251 HZ PHE 33 HZ PHE 33 -8.222 24.324 -3.899 252 H ASN 34 H ASN 34 -8.513 17.576 -7.863 253 HA ASN 34 HA ASN 34 -7.783 19.486 -9.902 254 HB2 ASN 34 1HB ASN 34 -8.174 16.912 -10.146 255 HB3 ASN 34 2HB ASN 34 -9.871 17.365 -10.279 256 HD21 ASN 34 2HD2 ASN 34 -10.604 17.877 -12.215 257 HD22 ASN 34 1HD2 ASN 34 -9.636 18.277 -13.589 258 H GLU 35 H GLU 35 -8.837 21.312 -10.276 259 HA GLU 35 HA GLU 35 -11.432 21.773 -9.072 260 HB2 GLU 35 1HB GLU 35 -9.625 23.490 -9.024 261 HB3 GLU 35 2HB GLU 35 -9.761 23.632 -10.771 262 HG2 GLU 35 1HG GLU 35 -10.957 25.366 -9.343 263 HG3 GLU 35 2HG GLU 35 -11.867 24.614 -10.652 264 H ILE 36 H ILE 36 -13.301 21.479 -10.077 265 HA ILE 36 HA ILE 36 -13.384 21.672 -13.011 266 HB ILE 36 HB ILE 36 -14.814 19.562 -11.390 267 HG12 ILE 36 1HG1 ILE 36 -12.459 19.324 -13.276 268 HG13 ILE 36 2HG1 ILE 36 -12.405 19.123 -11.528 269 HG21 ILE 36 1HG2 ILE 36 -15.424 18.643 -13.592 270 HG22 ILE 36 2HG2 ILE 36 -16.090 20.253 -13.327 271 HG23 ILE 36 3HG2 ILE 36 -14.679 20.043 -14.364 272 HD11 ILE 36 3HD1 ILE 36 -12.415 16.957 -12.396 273 HD12 ILE 36 1HD1 ILE 36 -14.072 17.234 -11.861 274 HD13 ILE 36 2HD1 ILE 36 -13.669 17.340 -13.575 275 H ASP 37 H ASP 37 -15.295 22.453 -13.895 276 HA ASP 37 HA ASP 37 -16.961 23.953 -12.031 277 HB2 ASP 37 1HB ASP 37 -16.505 24.064 -14.998 278 HB3 ASP 37 2HB ASP 37 -17.912 24.847 -14.282 279 H ALA 38 H ALA 38 -19.221 23.826 -11.984 280 HA ALA 38 HA ALA 38 -20.316 21.319 -13.081 281 HB1 ALA 38 1HB ALA 38 -20.122 21.787 -10.501 282 HB2 ALA 38 2HB ALA 38 -21.610 22.693 -10.779 283 HB3 ALA 38 3HB ALA 38 -21.536 20.976 -11.175 284 H SER 39 H SER 39 -20.999 24.724 -12.422 285 HA SER 39 HA SER 39 -23.589 24.724 -13.589 286 HB2 SER 39 1HB SER 39 -22.718 26.437 -11.958 287 HB3 SER 39 2HB SER 39 -21.742 27.098 -13.269 288 HG SER 39 HG SER 39 -23.503 28.246 -13.554 289 H ALA 40 H ALA 40 -20.507 24.537 -14.929 290 HA ALA 40 HA ALA 40 -20.594 26.055 -17.230 291 HB1 ALA 40 1HB ALA 40 -18.644 24.748 -16.488 292 HB2 ALA 40 2HB ALA 40 -19.465 23.269 -16.990 293 HB3 ALA 40 3HB ALA 40 -19.024 24.484 -18.190 294 H THR 41 H THR 41 -21.989 22.849 -16.660 295 HA THR 41 HA THR 41 -23.562 23.190 -19.128 296 HB THR 41 HB THR 41 -23.548 20.498 -18.871 297 HG1 THR 41 HG1 THR 41 -21.500 19.825 -18.264 298 HG21 THR 41 3HG2 THR 41 -22.050 20.447 -20.734 299 HG22 THR 41 1HG2 THR 41 -21.353 22.005 -20.291 300 HG23 THR 41 2HG2 THR 41 -23.015 21.916 -20.876 301 HA PRO 42 HA PRO 42 -27.202 22.494 -16.776 302 HB2 PRO 42 1HB PRO 42 -28.729 21.055 -18.499 303 HB3 PRO 42 2HB PRO 42 -28.392 22.776 -18.721 304 HG2 PRO 42 1HG PRO 42 -27.092 20.410 -20.013 305 HG3 PRO 42 2HG PRO 42 -27.600 21.944 -20.743 306 HD2 PRO 42 1HD PRO 42 -25.026 21.427 -20.081 307 HD3 PRO 42 2HD PRO 42 -25.721 23.059 -20.010 308 H GLU 43 H GLU 43 -26.046 19.563 -18.435 309 HA GLU 43 HA GLU 43 -27.370 17.734 -16.736 310 HB2 GLU 43 1HB GLU 43 -25.132 17.548 -18.710 311 HB3 GLU 43 2HB GLU 43 -25.433 16.190 -17.635 312 HG2 GLU 43 1HG GLU 43 -27.416 17.412 -19.540 313 HG3 GLU 43 2HG GLU 43 -26.553 15.892 -19.766 314 H LEU 44 H LEU 44 -24.000 18.878 -16.795 315 HA LEU 44 HA LEU 44 -23.122 17.423 -14.562 316 HB2 LEU 44 1HB LEU 44 -22.173 19.872 -15.978 317 HB3 LEU 44 2HB LEU 44 -21.435 19.422 -14.442 318 HG LEU 44 HG LEU 44 -21.502 17.720 -16.934 319 HD11 LEU 44 1HD1 LEU 44 -19.409 18.422 -17.433 320 HD12 LEU 44 2HD1 LEU 44 -18.980 18.708 -15.747 321 HD13 LEU 44 3HD1 LEU 44 -19.970 19.880 -16.615 322 HD21 LEU 44 3HD2 LEU 44 -21.066 16.009 -15.588 323 HD22 LEU 44 1HD2 LEU 44 -21.057 17.066 -14.176 324 HD23 LEU 44 2HD2 LEU 44 -19.576 16.819 -15.102 325 H ARG 45 H ARG 45 -24.985 20.326 -14.831 326 HA ARG 45 HA ARG 45 -24.529 21.138 -12.091 327 HB2 ARG 45 1HB ARG 45 -24.893 22.813 -13.869 328 HB3 ARG 45 2HB ARG 45 -26.512 22.174 -14.123 329 HG2 ARG 45 1HG ARG 45 -26.780 22.697 -11.568 330 HG3 ARG 45 2HG ARG 45 -25.448 23.811 -11.880 331 HD2 ARG 45 1HD ARG 45 -27.961 23.751 -13.534 332 HD3 ARG 45 2HD ARG 45 -27.779 24.766 -12.103 333 HE ARG 45 HE ARG 45 -25.602 25.307 -13.709 334 HH11 ARG 45 1HH1 ARG 45 -29.067 25.531 -13.958 335 HH12 ARG 45 2HH1 ARG 45 -29.032 26.878 -15.046 336 HH21 ARG 45 1HH2 ARG 45 -25.543 27.081 -15.141 337 HH22 ARG 45 2HH2 ARG 45 -27.027 27.759 -15.719 338 H ALA 46 H ALA 46 -26.911 19.368 -13.931 339 HA ALA 46 HA ALA 46 -29.003 19.422 -12.031 340 HB1 ALA 46 1HB ALA 46 -29.432 17.094 -13.347 341 HB2 ALA 46 2HB ALA 46 -29.896 18.683 -13.956 342 HB3 ALA 46 3HB ALA 46 -28.389 17.939 -14.491 343 H GLU 47 H GLU 47 -26.616 16.873 -12.769 344 HA GLU 47 HA GLU 47 -27.356 15.221 -10.595 345 HB2 GLU 47 1HB GLU 47 -25.403 13.925 -11.114 346 HB3 GLU 47 2HB GLU 47 -26.130 14.448 -12.626 347 HG2 GLU 47 1HG GLU 47 -24.466 16.326 -12.659 348 HG3 GLU 47 2HG GLU 47 -23.668 15.543 -11.297 349 H MET 48 H MET 48 -25.079 17.853 -10.946 350 HA MET 48 HA MET 48 -23.677 17.390 -8.511 351 HB2 MET 48 1HB MET 48 -22.531 18.688 -10.106 352 HB3 MET 48 2HB MET 48 -23.912 19.744 -10.368 353 HG2 MET 48 1HG MET 48 -23.040 19.830 -7.621 354 HG3 MET 48 2HG MET 48 -21.723 20.213 -8.728 355 HE1 MET 48 3HE MET 48 -21.897 23.632 -8.739 356 HE2 MET 48 1HE MET 48 -22.504 23.216 -7.136 357 HE3 MET 48 2HE MET 48 -21.292 22.197 -7.911 358 H GLN 49 H GLN 49 -26.344 19.542 -9.432 359 HA GLN 49 HA GLN 49 -26.616 20.606 -6.777 360 HB2 GLN 49 1HB GLN 49 -28.273 21.986 -7.642 361 HB3 GLN 49 2HB GLN 49 -27.236 21.720 -9.037 362 HG2 GLN 49 1HG GLN 49 -28.808 19.863 -9.698 363 HG3 GLN 49 2HG GLN 49 -29.895 20.459 -8.445 364 HE21 GLN 49 2HE2 GLN 49 -29.549 23.173 -8.706 365 HE22 GLN 49 1HE2 GLN 49 -30.155 23.685 -10.240 366 H GLU 50 H GLU 50 -27.738 17.832 -8.428 367 HA GLU 50 HA GLU 50 -30.143 17.433 -6.936 368 HB2 GLU 50 1HB GLU 50 -29.962 16.381 -9.080 369 HB3 GLU 50 2HB GLU 50 -28.461 15.586 -8.628 370 HG2 GLU 50 1HG GLU 50 -30.492 14.124 -8.666 371 HG3 GLU 50 2HG GLU 50 -29.572 14.105 -7.163 372 H ARG 51 H ARG 51 -26.845 16.141 -6.723 373 HA ARG 51 HA ARG 51 -27.272 14.364 -4.605 374 HB2 ARG 51 1HB ARG 51 -24.782 15.902 -5.363 375 HB3 ARG 51 2HB ARG 51 -24.819 14.570 -4.215 376 HG2 ARG 51 1HG ARG 51 -25.275 12.995 -5.870 377 HG3 ARG 51 2HG ARG 51 -25.807 14.224 -7.020 378 HD2 ARG 51 1HD ARG 51 -23.627 14.915 -7.473 379 HD3 ARG 51 2HD ARG 51 -22.991 14.186 -5.999 380 HE ARG 51 HE ARG 51 -23.926 12.076 -7.453 381 HH11 ARG 51 1HH1 ARG 51 -21.671 14.663 -8.039 382 HH12 ARG 51 2HH1 ARG 51 -20.694 13.739 -9.131 383 HH21 ARG 51 1HH2 ARG 51 -22.647 10.849 -8.889 384 HH22 ARG 51 2HH2 ARG 51 -21.250 11.570 -9.614 385 H SER 52 H SER 52 -26.533 17.810 -4.628 386 HA SER 52 HA SER 52 -26.326 17.930 -1.744 387 HB2 SER 52 1HB SER 52 -25.146 19.416 -3.610 388 HB3 SER 52 2HB SER 52 -26.594 20.400 -3.397 389 HG SER 52 HG SER 52 -24.847 19.577 -1.314 390 H GLY 53 H GLY 53 -28.664 18.747 -4.245 391 HA2 GLY 53 1HA GLY 53 -30.970 18.924 -4.021 392 HA3 GLY 53 2HA GLY 53 -30.785 18.754 -2.281 393 H ARG 54 H ARG 54 -28.908 21.128 -3.969 394 HA ARG 54 HA ARG 54 -30.785 23.254 -3.252 395 HB2 ARG 54 1HB ARG 54 -27.915 23.100 -2.321 396 HB3 ARG 54 2HB ARG 54 -28.886 24.564 -2.256 397 HG2 ARG 54 1HG ARG 54 -30.476 23.437 -0.773 398 HG3 ARG 54 2HG ARG 54 -29.478 21.982 -0.825 399 HD2 ARG 54 1HD ARG 54 -27.730 23.001 0.351 400 HD3 ARG 54 2HD ARG 54 -28.348 24.622 0.038 401 HE ARG 54 HE ARG 54 -29.072 22.896 2.192 402 HH11 ARG 54 1HH1 ARG 54 -30.246 25.413 0.093 403 HH12 ARG 54 2HH1 ARG 54 -31.437 25.976 1.219 404 HH21 ARG 54 1HH2 ARG 54 -30.636 23.628 3.683 405 HH22 ARG 54 2HH2 ARG 54 -31.657 24.960 3.261 406 H ASN 55 H ASN 55 -29.710 25.457 -3.977 407 HA ASN 55 HA ASN 55 -29.655 25.567 -6.702 408 HB2 ASN 55 1HB ASN 55 -28.174 27.367 -4.771 409 HB3 ASN 55 2HB ASN 55 -28.476 27.747 -6.464 410 HD21 ASN 55 2HD2 ASN 55 -29.405 28.699 -3.646 411 HD22 ASN 55 1HD2 ASN 55 -31.100 28.941 -3.877 412 H THR 56 H THR 56 -26.644 26.169 -4.914 413 HA THR 56 HA THR 56 -25.188 24.168 -6.372 414 HB THR 56 HB THR 56 -23.621 26.363 -7.021 415 HG1 THR 56 HG1 THR 56 -25.251 27.580 -8.309 416 HG21 THR 56 3HG2 THR 56 -25.118 24.278 -8.367 417 HG22 THR 56 1HG2 THR 56 -23.555 24.984 -8.779 418 HG23 THR 56 2HG2 THR 56 -25.044 25.752 -9.332 419 H PHE 57 H PHE 57 -23.442 23.535 -5.244 420 HA PHE 57 HA PHE 57 -22.182 25.365 -3.357 421 HB2 PHE 57 1HB PHE 57 -22.701 24.246 -1.442 422 HB3 PHE 57 2HB PHE 57 -24.123 23.786 -2.372 423 HD1 PHE 57 HD2 PHE 57 -23.630 21.634 -3.945 424 HD2 PHE 57 HD1 PHE 57 -21.682 22.568 -0.277 425 HE1 PHE 57 HE2 PHE 57 -23.054 19.260 -3.650 426 HE2 PHE 57 HE1 PHE 57 -21.102 20.195 0.023 427 HZ PHE 57 HZ PHE 57 -21.789 18.538 -1.664 428 HA PRO 58 HA PRO 58 -18.456 23.329 -4.453 429 HB2 PRO 58 1HB PRO 58 -17.088 23.265 -2.109 430 HB3 PRO 58 2HB PRO 58 -17.357 24.753 -3.024 431 HG2 PRO 58 1HG PRO 58 -18.829 23.705 -0.637 432 HG3 PRO 58 2HG PRO 58 -18.290 25.359 -0.981 433 HD2 PRO 58 1HD PRO 58 -20.847 24.552 -1.357 434 HD3 PRO 58 2HD PRO 58 -20.075 25.785 -2.375 435 H GLN 59 H GLN 59 -18.226 21.249 -4.956 436 HA GLN 59 HA GLN 59 -18.985 19.212 -2.983 437 HB2 GLN 59 1HB GLN 59 -19.187 19.422 -5.890 438 HB3 GLN 59 2HB GLN 59 -18.516 17.886 -5.359 439 HG2 GLN 59 1HG GLN 59 -20.563 17.170 -4.948 440 HG3 GLN 59 2HG GLN 59 -20.720 18.403 -3.698 441 HE21 GLN 59 2HE2 GLN 59 -20.734 20.688 -5.233 442 HE22 GLN 59 1HE2 GLN 59 -22.162 20.716 -6.204 443 H ILE 60 H ILE 60 -17.515 17.900 -2.098 444 HA ILE 60 HA ILE 60 -14.766 18.013 -3.155 445 HB ILE 60 HB ILE 60 -15.776 17.733 -0.336 446 HG12 ILE 60 1HG1 ILE 60 -14.021 19.558 -0.024 447 HG13 ILE 60 2HG1 ILE 60 -13.925 19.630 -1.780 448 HG21 ILE 60 1HG2 ILE 60 -14.165 16.028 -0.417 449 HG22 ILE 60 2HG2 ILE 60 -13.094 16.973 -1.451 450 HG23 ILE 60 3HG2 ILE 60 -13.312 17.424 0.240 451 HD11 ILE 60 3HD1 ILE 60 -16.103 20.437 -1.979 452 HD12 ILE 60 1HD1 ILE 60 -16.528 19.954 -0.337 453 HD13 ILE 60 2HD1 ILE 60 -15.430 21.308 -0.602 454 H PHE 61 H PHE 61 -14.607 16.247 -4.428 455 HA PHE 61 HA PHE 61 -15.632 13.685 -3.470 456 HB2 PHE 61 1HB PHE 61 -14.319 14.292 -6.124 457 HB3 PHE 61 2HB PHE 61 -15.264 12.866 -5.705 458 HD1 PHE 61 HD1 PHE 61 -17.606 13.959 -4.407 459 HD2 PHE 61 HD2 PHE 61 -15.460 15.402 -7.787 460 HE1 PHE 61 HE1 PHE 61 -19.645 15.069 -5.223 461 HE2 PHE 61 HE2 PHE 61 -17.495 16.515 -8.608 462 HZ PHE 61 HZ PHE 61 -19.591 16.350 -7.326 463 H ILE 62 H ILE 62 -14.335 12.519 -2.224 464 HA ILE 62 HA ILE 62 -11.437 12.581 -2.758 465 HB ILE 62 HB ILE 62 -12.880 11.988 -0.172 466 HG12 ILE 62 1HG1 ILE 62 -11.071 14.268 -1.000 467 HG13 ILE 62 2HG1 ILE 62 -12.806 14.369 -0.723 468 HG21 ILE 62 1HG2 ILE 62 -10.629 11.830 0.815 469 HG22 ILE 62 2HG2 ILE 62 -10.933 10.567 -0.375 470 HG23 ILE 62 3HG2 ILE 62 -9.932 11.955 -0.799 471 HD11 ILE 62 3HD1 ILE 62 -10.582 14.128 1.234 472 HD12 ILE 62 1HD1 ILE 62 -11.988 15.192 1.244 473 HD13 ILE 62 2HD1 ILE 62 -12.170 13.485 1.651 474 H GLY 63 H GLY 63 -10.862 10.847 -3.899 475 HA2 GLY 63 1HA GLY 63 -10.540 8.643 -4.462 476 HA3 GLY 63 2HA GLY 63 -11.129 8.231 -2.858 477 H SER 64 H SER 64 -13.055 7.266 -2.682 478 HA SER 64 HA SER 64 -14.794 7.251 -5.063 479 HB2 SER 64 1HB SER 64 -13.552 5.073 -4.425 480 HB3 SER 64 2HB SER 64 -14.690 4.987 -3.081 481 HG SER 64 HG SER 64 -15.925 4.062 -4.513 482 H VAL 65 H VAL 65 -14.661 8.779 -2.366 483 HA VAL 65 HA VAL 65 -17.489 8.339 -1.659 484 HB VAL 65 HB VAL 65 -15.365 9.327 0.244 485 HG11 VAL 65 1HG1 VAL 65 -17.393 10.095 1.055 486 HG12 VAL 65 2HG1 VAL 65 -18.277 8.681 0.477 487 HG13 VAL 65 3HG1 VAL 65 -17.218 8.547 1.881 488 HG21 VAL 65 3HG2 VAL 65 -15.518 7.092 1.291 489 HG22 VAL 65 1HG2 VAL 65 -16.522 6.558 -0.058 490 HG23 VAL 65 2HG2 VAL 65 -14.849 7.038 -0.340 491 H HIS 66 H HIS 66 -18.720 10.180 -1.126 492 HA HIS 66 HA HIS 66 -17.646 12.667 -2.259 493 HB2 HIS 66 1HB HIS 66 -19.685 11.836 -3.317 494 HB3 HIS 66 2HB HIS 66 -20.507 11.818 -1.759 495 HD1 HIS 66 HD1 HIS 66 -22.260 13.442 -2.928 496 HD2 HIS 66 HD2 HIS 66 -18.451 15.004 -2.372 497 HE1 HIS 66 HE1 HIS 66 -22.504 15.928 -3.216 498 H VAL 67 H VAL 67 -16.631 13.693 -0.607 499 HA VAL 67 HA VAL 67 -17.346 13.704 2.078 500 HB VAL 67 HB VAL 67 -15.920 15.843 0.493 501 HG11 VAL 67 1HG1 VAL 67 -16.317 15.512 3.456 502 HG12 VAL 67 2HG1 VAL 67 -15.011 16.480 2.769 503 HG13 VAL 67 3HG1 VAL 67 -16.692 16.913 2.453 504 HG21 VAL 67 3HG2 VAL 67 -14.462 14.104 0.366 505 HG22 VAL 67 1HG2 VAL 67 -14.012 14.699 1.964 506 HG23 VAL 67 2HG2 VAL 67 -15.099 13.319 1.811 507 H GLY 68 H GLY 68 -17.606 16.677 0.161 508 HA2 GLY 68 1HA GLY 68 -20.268 17.178 0.120 509 HA3 GLY 68 2HA GLY 68 -19.831 17.554 1.780 510 H GLY 69 H GLY 69 -19.429 19.626 2.137 511 HA2 GLY 69 1HA GLY 69 -18.039 21.169 0.053 512 HA3 GLY 69 2HA GLY 69 -19.543 21.785 0.720 513 H CYS 70 H CYS 70 -18.398 23.661 1.413 514 HA CYS 70 HA CYS 70 -16.145 23.765 2.993 515 HB2 CYS 70 1HB CYS 70 -17.384 25.722 2.021 516 HB3 CYS 70 2HB CYS 70 -18.557 25.558 3.322 517 HG CYS 70 HG CYS 70 -16.691 26.078 5.353 518 H ASP 71 H ASP 71 -19.510 23.334 4.018 519 HA ASP 71 HA ASP 71 -19.116 23.398 6.776 520 HB2 ASP 71 1HB ASP 71 -21.171 22.221 4.970 521 HB3 ASP 71 2HB ASP 71 -21.156 21.683 6.647 522 H ASP 72 H ASP 72 -19.062 20.617 4.562 523 HA ASP 72 HA ASP 72 -18.501 18.677 6.529 524 HB2 ASP 72 1HB ASP 72 -18.091 18.747 3.544 525 HB3 ASP 72 2HB ASP 72 -17.635 17.348 4.514 526 H LEU 73 H LEU 73 -16.339 20.315 4.217 527 HA LEU 73 HA LEU 73 -13.947 19.176 5.051 528 HB2 LEU 73 1HB LEU 73 -14.576 20.856 3.106 529 HB3 LEU 73 2HB LEU 73 -13.974 22.042 4.261 530 HG LEU 73 HG LEU 73 -12.438 19.743 3.058 531 HD11 LEU 73 1HD1 LEU 73 -12.226 21.278 1.428 532 HD12 LEU 73 2HD1 LEU 73 -11.042 21.988 2.524 533 HD13 LEU 73 3HD1 LEU 73 -12.689 22.616 2.480 534 HD21 LEU 73 3HD2 LEU 73 -11.887 21.510 5.382 535 HD22 LEU 73 1HD2 LEU 73 -10.550 21.112 4.303 536 HD23 LEU 73 2HD2 LEU 73 -11.445 19.824 5.110 537 H TYR 74 H TYR 74 -15.661 22.001 6.298 538 HA TYR 74 HA TYR 74 -13.625 22.750 8.145 539 HB2 TYR 74 1HB TYR 74 -16.452 23.543 7.637 540 HB3 TYR 74 2HB TYR 74 -15.761 23.936 9.208 541 HD1 TYR 74 HD1 TYR 74 -13.960 23.878 5.967 542 HD2 TYR 74 HD2 TYR 74 -15.632 26.286 9.051 543 HE1 TYR 74 HE1 TYR 74 -12.884 25.863 4.992 544 HE2 TYR 74 HE2 TYR 74 -14.562 28.278 8.083 545 HH TYR 74 HH TYR 74 -12.922 28.960 6.623 546 H ALA 75 H ALA 75 -16.420 20.644 8.273 547 HA ALA 75 HA ALA 75 -16.384 20.306 11.115 548 HB1 ALA 75 1HB ALA 75 -17.681 18.591 9.000 549 HB2 ALA 75 2HB ALA 75 -18.015 18.544 10.732 550 HB3 ALA 75 3HB ALA 75 -18.424 19.980 9.794 551 H LEU 76 H LEU 76 -14.871 18.726 8.393 552 HA LEU 76 HA LEU 76 -14.027 16.418 9.884 553 HB2 LEU 76 1HB LEU 76 -13.549 17.482 7.141 554 HB3 LEU 76 2HB LEU 76 -12.467 16.246 7.779 555 HG LEU 76 HG LEU 76 -14.625 15.669 6.328 556 HD11 LEU 76 1HD1 LEU 76 -14.579 13.438 7.351 557 HD12 LEU 76 2HD1 LEU 76 -13.635 14.082 8.694 558 HD13 LEU 76 3HD1 LEU 76 -12.958 14.070 7.065 559 HD21 LEU 76 3HD2 LEU 76 -16.127 16.747 8.000 560 HD22 LEU 76 1HD2 LEU 76 -15.648 15.505 9.158 561 HD23 LEU 76 2HD2 LEU 76 -16.501 15.052 7.682 562 H GLU 77 H GLU 77 -12.395 19.293 8.564 563 HA GLU 77 HA GLU 77 -9.826 18.755 9.466 564 HB2 GLU 77 1HB GLU 77 -9.321 21.000 9.036 565 HB3 GLU 77 2HB GLU 77 -10.658 20.653 7.948 566 HG2 GLU 77 1HG GLU 77 -11.378 22.631 8.773 567 HG3 GLU 77 2HG GLU 77 -12.073 21.562 9.990 568 H ASP 78 H ASP 78 -12.612 19.915 11.201 569 HA ASP 78 HA ASP 78 -11.291 20.937 13.477 570 HB2 ASP 78 1HB ASP 78 -13.833 21.022 12.665 571 HB3 ASP 78 2HB ASP 78 -13.967 19.669 13.785 572 H GLU 79 H GLU 79 -12.021 17.721 12.433 573 HA GLU 79 HA GLU 79 -11.363 16.631 15.076 574 HB2 GLU 79 1HB GLU 79 -12.282 15.054 12.679 575 HB3 GLU 79 2HB GLU 79 -12.328 14.582 14.372 576 HG2 GLU 79 1HG GLU 79 -13.841 16.918 14.223 577 HG3 GLU 79 2HG GLU 79 -14.291 15.976 12.803 578 H GLY 80 H GLY 80 -10.076 17.112 11.931 579 HA2 GLY 80 1HA GLY 80 -7.877 16.818 11.243 580 HA3 GLY 80 2HA GLY 80 -7.550 15.974 12.749 581 H LYS 81 H LYS 81 -10.150 15.114 10.560 582 HA LYS 81 HA LYS 81 -8.868 12.508 10.165 583 HB2 LYS 81 1HB LYS 81 -11.716 13.308 9.551 584 HB3 LYS 81 2HB LYS 81 -11.060 11.676 9.581 585 HG2 LYS 81 1HG LYS 81 -11.128 13.458 12.000 586 HG3 LYS 81 2HG LYS 81 -12.434 12.349 11.575 587 HD2 LYS 81 1HD LYS 81 -11.222 11.009 12.979 588 HD3 LYS 81 2HD LYS 81 -10.445 10.615 11.444 589 HE2 LYS 81 1HE LYS 81 -8.527 11.724 11.974 590 HE3 LYS 81 2HE LYS 81 -9.361 12.912 12.975 591 HZ1 LYS 81 3HZ LYS 81 -9.749 10.721 14.416 592 HZ2 LYS 81 1HZ LYS 81 -8.404 11.729 14.617 593 HZ3 LYS 81 2HZ LYS 81 -8.272 10.315 13.697 594 H LEU 82 H LEU 82 -9.697 15.396 8.510 595 HA LEU 82 HA LEU 82 -10.077 14.585 5.902 596 HB2 LEU 82 1HB LEU 82 -10.010 16.950 7.002 597 HB3 LEU 82 2HB LEU 82 -8.323 16.930 6.492 598 HG LEU 82 HG LEU 82 -9.268 16.417 4.146 599 HD11 LEU 82 1HD1 LEU 82 -11.545 15.922 4.811 600 HD12 LEU 82 2HD1 LEU 82 -11.511 17.335 3.756 601 HD13 LEU 82 3HD1 LEU 82 -11.720 17.538 5.495 602 HD21 LEU 82 3HD2 LEU 82 -8.218 18.461 4.357 603 HD22 LEU 82 1HD2 LEU 82 -9.332 19.025 5.603 604 HD23 LEU 82 2HD2 LEU 82 -9.858 18.943 3.921 605 H ASP 83 H ASP 83 -7.018 15.087 7.619 606 HA ASP 83 HA ASP 83 -5.250 14.699 5.519 607 HB2 ASP 83 1HB ASP 83 -4.915 15.233 8.113 608 HB3 ASP 83 2HB ASP 83 -4.548 13.511 8.157 609 H SER 84 H SER 84 -7.011 12.346 7.439 610 HA SER 84 HA SER 84 -5.617 10.092 6.298 611 HB2 SER 84 1HB SER 84 -8.046 10.302 8.086 612 HB3 SER 84 2HB SER 84 -7.380 8.767 7.531 613 HG SER 84 HG SER 84 -5.683 9.019 8.805 614 H LEU 85 H LEU 85 -8.779 11.634 5.930 615 HA LEU 85 HA LEU 85 -9.952 9.788 4.199 616 HB2 LEU 85 1HB LEU 85 -10.383 12.592 4.940 617 HB3 LEU 85 2HB LEU 85 -10.972 12.163 3.335 618 HG LEU 85 HG LEU 85 -11.776 10.825 5.919 619 HD11 LEU 85 1HD1 LEU 85 -13.643 12.114 5.977 620 HD12 LEU 85 2HD1 LEU 85 -13.682 12.337 4.228 621 HD13 LEU 85 3HD1 LEU 85 -12.550 13.267 5.210 622 HD21 LEU 85 3HD2 LEU 85 -13.504 10.368 3.671 623 HD22 LEU 85 1HD2 LEU 85 -12.680 9.201 4.705 624 HD23 LEU 85 2HD2 LEU 85 -11.858 9.859 3.290 625 H LEU 86 H LEU 86 -7.733 12.442 3.564 626 HA LEU 86 HA LEU 86 -7.922 12.141 0.699 627 HB2 LEU 86 1HB LEU 86 -6.131 13.828 0.642 628 HB3 LEU 86 2HB LEU 86 -7.527 14.336 1.591 629 HG LEU 86 HG LEU 86 -6.039 13.398 3.581 630 HD11 LEU 86 1HD1 LEU 86 -4.039 14.208 1.477 631 HD12 LEU 86 2HD1 LEU 86 -4.208 12.620 2.224 632 HD13 LEU 86 3HD1 LEU 86 -3.673 13.996 3.190 633 HD21 LEU 86 3HD2 LEU 86 -5.971 16.070 2.223 634 HD22 LEU 86 1HD2 LEU 86 -5.053 15.770 3.699 635 HD23 LEU 86 2HD2 LEU 86 -6.808 15.593 3.702 636 H LYS 87 H LYS 87 -6.051 10.822 3.263 637 HA LYS 87 HA LYS 87 -3.818 10.023 1.630 638 HB2 LYS 87 1HB LYS 87 -4.610 9.779 4.465 639 HB3 LYS 87 2HB LYS 87 -3.622 8.463 3.845 640 HG2 LYS 87 1HG LYS 87 -1.807 9.833 3.450 641 HG3 LYS 87 2HG LYS 87 -2.795 11.294 3.377 642 HD2 LYS 87 1HD LYS 87 -1.839 11.557 5.442 643 HD3 LYS 87 2HD LYS 87 -3.299 10.670 5.888 644 HE2 LYS 87 1HE LYS 87 -2.096 8.617 6.033 645 HE3 LYS 87 2HE LYS 87 -0.659 9.340 5.313 646 HZ1 LYS 87 3HZ LYS 87 -0.996 10.919 7.422 647 HZ2 LYS 87 1HZ LYS 87 -0.049 9.518 7.456 648 HZ3 LYS 87 2HZ LYS 87 -1.634 9.482 8.044 649 H THR 88 H THR 88 -6.542 8.340 3.183 650 HA THR 88 HA THR 88 -5.923 5.900 1.727 651 HB THR 88 HB THR 88 -6.610 5.618 4.024 652 HG1 THR 88 HG1 THR 88 -7.498 3.882 3.200 653 HG21 THR 88 3HG2 THR 88 -9.377 6.298 3.908 654 HG22 THR 88 1HG2 THR 88 -8.432 7.705 3.421 655 HG23 THR 88 2HG2 THR 88 -8.130 6.935 4.979 656 H GLY 89 H GLY 89 -8.232 8.527 1.664 657 HA2 GLY 89 1HA GLY 89 -9.486 9.181 -0.204 658 HA3 GLY 89 2HA GLY 89 -9.154 7.623 -0.945 659 H LYS 90 H LYS 90 -10.055 6.805 2.046 660 HA LYS 90 HA LYS 90 -12.939 6.909 1.500 661 HB2 LYS 90 1HB LYS 90 -13.004 4.509 2.420 662 HB3 LYS 90 2HB LYS 90 -12.457 4.739 0.764 663 HG2 LYS 90 1HG LYS 90 -10.294 4.828 2.715 664 HG3 LYS 90 2HG LYS 90 -11.163 3.292 2.692 665 HD2 LYS 90 1HD LYS 90 -10.591 4.327 0.026 666 HD3 LYS 90 2HD LYS 90 -9.136 4.028 0.980 667 HE2 LYS 90 1HE LYS 90 -9.450 1.787 0.998 668 HE3 LYS 90 2HE LYS 90 -11.206 1.926 1.072 669 HZ1 LYS 90 3HZ LYS 90 -9.675 2.546 -1.385 670 HZ2 LYS 90 1HZ LYS 90 -11.336 2.261 -1.232 671 HZ3 LYS 90 2HZ LYS 90 -10.239 0.988 -1.042 672 H LEU 91 H LEU 91 -14.082 5.838 3.552 673 HA LEU 91 HA LEU 91 -13.694 7.599 5.683 674 HB2 LEU 91 1HB LEU 91 -15.322 5.226 5.142 675 HB3 LEU 91 2HB LEU 91 -14.957 5.475 6.848 676 HG LEU 91 HG LEU 91 -17.107 6.446 6.264 677 HD11 LEU 91 1HD1 LEU 91 -16.721 8.032 7.764 678 HD12 LEU 91 2HD1 LEU 91 -15.805 8.978 6.592 679 HD13 LEU 91 3HD1 LEU 91 -14.991 7.751 7.563 680 HD21 LEU 91 3HD2 LEU 91 -15.690 8.396 4.476 681 HD22 LEU 91 1HD2 LEU 91 -17.420 8.088 4.629 682 HD23 LEU 91 2HD2 LEU 91 -16.378 6.895 3.852 683 H ILE 92 H ILE 92 -12.484 7.560 7.489 684 HA ILE 92 HA ILE 92 -10.189 6.030 7.693 685 HB ILE 92 HB ILE 92 -10.102 6.733 10.078 686 HG12 ILE 92 1HG1 ILE 92 -12.595 8.330 9.631 687 HG13 ILE 92 2HG1 ILE 92 -12.732 6.656 10.158 688 HG21 ILE 92 1HG2 ILE 92 -9.470 8.848 9.535 689 HG22 ILE 92 2HG2 ILE 92 -9.640 8.193 7.908 690 HG23 ILE 92 3HG2 ILE 92 -10.934 9.167 8.605 691 HD11 ILE 92 3HD1 ILE 92 -12.515 7.403 12.228 692 HD12 ILE 92 1HD1 ILE 92 -10.831 7.762 11.846 693 HD13 ILE 92 2HD1 ILE 92 -12.062 9.013 11.669 Start of MODEL 15 1 H1 GLY 1 H GLY 1 5.795 2.107 3.744 2 HA2 GLY 1 1HA GLY 1 5.301 3.631 6.229 3 HA3 GLY 1 2HA GLY 1 6.511 4.091 5.040 4 HA PRO 2 HA PRO 2 2.603 6.484 4.233 5 HB2 PRO 2 1HB PRO 2 3.821 8.906 4.097 6 HB3 PRO 2 2HB PRO 2 3.249 8.202 5.614 7 HG2 PRO 2 1HG PRO 2 6.017 8.253 4.474 8 HG3 PRO 2 2HG PRO 2 5.489 8.539 6.142 9 HD2 PRO 2 1HD PRO 2 6.540 6.179 5.332 10 HD3 PRO 2 2HD PRO 2 5.307 6.289 6.604 11 H GLY 3 H GLY 3 2.472 5.541 2.166 12 HA2 GLY 3 1HA GLY 3 3.575 7.216 0.050 13 HA3 GLY 3 2HA GLY 3 4.051 5.525 0.026 14 H SER 4 H SER 4 1.030 7.368 0.494 15 HA SER 4 HA SER 4 -0.170 5.906 -1.727 16 HB2 SER 4 1HB SER 4 -1.602 6.029 0.927 17 HB3 SER 4 2HB SER 4 -2.026 5.079 -0.497 18 HG SER 4 HG SER 4 -0.934 3.944 1.292 19 H MET 5 H MET 5 -1.755 7.029 -2.787 20 HA MET 5 HA MET 5 -2.879 9.432 -1.615 21 HB2 MET 5 1HB MET 5 -0.639 10.019 -2.710 22 HB3 MET 5 2HB MET 5 -1.429 9.676 -4.243 23 HG2 MET 5 1HG MET 5 -3.090 11.400 -3.781 24 HG3 MET 5 2HG MET 5 -2.309 11.740 -2.238 25 HE1 MET 5 3HE MET 5 -1.838 12.917 -6.289 26 HE2 MET 5 1HE MET 5 -3.150 12.955 -5.111 27 HE3 MET 5 2HE MET 5 -2.079 14.345 -5.282 28 H VAL 6 H VAL 6 -4.786 10.092 -2.590 29 HA VAL 6 HA VAL 6 -5.769 8.359 -4.764 30 HB VAL 6 HB VAL 6 -8.069 8.787 -3.785 31 HG11 VAL 6 1HG1 VAL 6 -6.816 7.287 -1.652 32 HG12 VAL 6 2HG1 VAL 6 -7.899 6.737 -2.932 33 HG13 VAL 6 3HG1 VAL 6 -6.164 6.846 -3.230 34 HG21 VAL 6 3HG2 VAL 6 -6.921 9.211 -1.118 35 HG22 VAL 6 1HG2 VAL 6 -6.790 10.593 -2.206 36 HG23 VAL 6 2HG2 VAL 6 -8.371 9.896 -1.853 37 H ASP 7 H ASP 7 -6.999 9.293 -6.379 38 HA ASP 7 HA ASP 7 -6.442 11.977 -7.025 39 HB2 ASP 7 1HB ASP 7 -8.448 10.019 -8.148 40 HB3 ASP 7 2HB ASP 7 -8.180 11.621 -8.829 41 H VAL 8 H VAL 8 -7.321 13.776 -6.270 42 HA VAL 8 HA VAL 8 -9.992 13.634 -5.039 43 HB VAL 8 HB VAL 8 -7.832 15.702 -4.606 44 HG11 VAL 8 1HG1 VAL 8 -9.286 16.356 -2.676 45 HG12 VAL 8 2HG1 VAL 8 -9.974 16.698 -4.264 46 HG13 VAL 8 3HG1 VAL 8 -10.537 15.305 -3.340 47 HG21 VAL 8 3HG2 VAL 8 -8.745 13.445 -2.824 48 HG22 VAL 8 1HG2 VAL 8 -7.211 13.526 -3.690 49 HG23 VAL 8 2HG2 VAL 8 -7.558 14.680 -2.402 50 H ILE 9 H ILE 9 -11.632 14.697 -5.942 51 HA ILE 9 HA ILE 9 -11.018 16.775 -7.941 52 HB ILE 9 HB ILE 9 -13.401 14.929 -8.056 53 HG12 ILE 9 1HG1 ILE 9 -10.808 14.759 -9.608 54 HG13 ILE 9 2HG1 ILE 9 -11.308 13.651 -8.335 55 HG21 ILE 9 1HG2 ILE 9 -12.704 15.983 -10.574 56 HG22 ILE 9 2HG2 ILE 9 -14.126 16.349 -9.598 57 HG23 ILE 9 3HG2 ILE 9 -12.666 17.324 -9.429 58 HD11 ILE 9 3HD1 ILE 9 -13.342 13.856 -10.355 59 HD12 ILE 9 1HD1 ILE 9 -11.787 13.422 -11.065 60 HD13 ILE 9 2HD1 ILE 9 -12.471 12.437 -9.771 61 H ILE 10 H ILE 10 -12.217 18.627 -7.901 62 HA ILE 10 HA ILE 10 -14.307 18.825 -5.835 63 HB ILE 10 HB ILE 10 -12.155 19.926 -5.154 64 HG12 ILE 10 1HG1 ILE 10 -14.449 21.856 -5.545 65 HG13 ILE 10 2HG1 ILE 10 -14.431 20.593 -4.319 66 HG21 ILE 10 1HG2 ILE 10 -11.434 20.707 -7.336 67 HG22 ILE 10 2HG2 ILE 10 -12.828 21.782 -7.432 68 HG23 ILE 10 3HG2 ILE 10 -11.580 22.064 -6.218 69 HD11 ILE 10 3HD1 ILE 10 -12.386 22.788 -4.521 70 HD12 ILE 10 1HD1 ILE 10 -13.805 22.832 -3.475 71 HD13 ILE 10 2HD1 ILE 10 -12.562 21.607 -3.224 72 H TYR 11 H TYR 11 -16.134 19.914 -6.372 73 HA TYR 11 HA TYR 11 -16.267 20.989 -9.112 74 HB2 TYR 11 1HB TYR 11 -17.992 19.167 -7.628 75 HB3 TYR 11 2HB TYR 11 -18.882 20.527 -8.304 76 HD1 TYR 11 HD2 TYR 11 -15.919 18.760 -9.700 77 HD2 TYR 11 HD1 TYR 11 -20.074 19.592 -10.081 78 HE1 TYR 11 HE2 TYR 11 -15.933 17.653 -11.896 79 HE2 TYR 11 HE1 TYR 11 -20.100 18.486 -12.278 80 HH TYR 11 HH TYR 11 -17.134 17.341 -13.793 81 H THR 12 H THR 12 -16.303 23.129 -9.140 82 HA THR 12 HA THR 12 -18.096 24.548 -7.318 83 HB THR 12 HB THR 12 -16.088 24.813 -6.106 84 HG1 THR 12 HG1 THR 12 -15.912 27.139 -7.675 85 HG21 THR 12 3HG2 THR 12 -13.964 25.478 -7.105 86 HG22 THR 12 1HG2 THR 12 -14.710 25.513 -8.702 87 HG23 THR 12 2HG2 THR 12 -14.550 23.984 -7.837 88 H ARG 13 H ARG 13 -18.559 26.749 -8.011 89 HA ARG 13 HA ARG 13 -18.233 27.063 -10.922 90 HB2 ARG 13 1HB ARG 13 -20.399 27.683 -11.112 91 HB3 ARG 13 2HB ARG 13 -20.576 26.821 -9.589 92 HG2 ARG 13 1HG ARG 13 -20.036 29.111 -8.511 93 HG3 ARG 13 2HG ARG 13 -20.470 29.762 -10.093 94 HD2 ARG 13 1HD ARG 13 -22.410 27.819 -9.229 95 HD3 ARG 13 2HD ARG 13 -22.194 29.064 -7.999 96 HE ARG 13 HE ARG 13 -22.459 30.515 -10.245 97 HH11 ARG 13 1HH1 ARG 13 -24.328 27.899 -8.910 98 HH12 ARG 13 2HH1 ARG 13 -25.823 28.446 -9.593 99 HH21 ARG 13 1HH2 ARG 13 -24.421 31.246 -11.149 100 HH22 ARG 13 2HH2 ARG 13 -25.875 30.349 -10.867 101 HA PRO 14 HA PRO 14 -16.230 30.934 -10.427 102 HB2 PRO 14 1HB PRO 14 -17.346 32.444 -12.388 103 HB3 PRO 14 2HB PRO 14 -16.219 31.123 -12.717 104 HG2 PRO 14 1HG PRO 14 -19.209 31.142 -12.861 105 HG3 PRO 14 2HG PRO 14 -18.039 30.428 -13.986 106 HD2 PRO 14 1HD PRO 14 -19.379 28.956 -12.151 107 HD3 PRO 14 2HD PRO 14 -17.731 28.557 -12.677 108 H GLY 15 H GLY 15 -16.582 32.184 -8.696 109 HA2 GLY 15 1HA GLY 15 -17.499 34.196 -7.797 110 HA3 GLY 15 2HA GLY 15 -18.985 33.875 -8.679 111 H CYS 16 H CYS 16 -17.676 31.146 -7.129 112 HA CYS 16 HA CYS 16 -19.851 31.196 -5.189 113 HB2 CYS 16 1HB CYS 16 -19.400 29.180 -6.619 114 HB3 CYS 16 2HB CYS 16 -17.884 28.970 -5.749 115 HA PRO 17 HA PRO 17 -16.922 32.649 -2.129 116 HB2 PRO 17 1HB PRO 17 -18.758 32.923 -0.148 117 HB3 PRO 17 2HB PRO 17 -18.566 34.103 -1.449 118 HG2 PRO 17 1HG PRO 17 -20.577 31.904 -1.168 119 HG3 PRO 17 2HG PRO 17 -20.816 33.576 -1.709 120 HD2 PRO 17 1HD PRO 17 -20.632 31.498 -3.435 121 HD3 PRO 17 2HD PRO 17 -20.055 33.128 -3.838 122 H TYR 18 H TYR 18 -19.495 30.367 -1.163 123 HA TYR 18 HA TYR 18 -18.127 29.221 0.985 124 HB2 TYR 18 1HB TYR 18 -20.235 28.003 -0.810 125 HB3 TYR 18 2HB TYR 18 -19.715 27.325 0.729 126 HD1 TYR 18 HD1 TYR 18 -19.694 29.322 2.652 127 HD2 TYR 18 HD2 TYR 18 -22.281 29.043 -0.714 128 HE1 TYR 18 HE1 TYR 18 -21.359 30.700 3.825 129 HE2 TYR 18 HE2 TYR 18 -23.953 30.421 0.449 130 HH TYR 18 HH TYR 18 -23.491 31.431 3.800 131 H CYS 19 H CYS 19 -17.979 28.571 -2.445 132 HA CYS 19 HA CYS 19 -16.583 26.092 -2.236 133 HB2 CYS 19 1HB CYS 19 -16.625 27.997 -4.583 134 HB3 CYS 19 2HB CYS 19 -16.253 26.277 -4.621 135 H ALA 20 H ALA 20 -15.586 29.446 -2.806 136 HA ALA 20 HA ALA 20 -12.873 29.020 -3.250 137 HB1 ALA 20 1HB ALA 20 -13.422 31.182 -3.690 138 HB2 ALA 20 2HB ALA 20 -14.507 31.307 -2.305 139 HB3 ALA 20 3HB ALA 20 -12.761 31.396 -2.069 140 H ARG 21 H ARG 21 -14.567 29.628 -0.180 141 HA ARG 21 HA ARG 21 -12.374 29.638 1.517 142 HB2 ARG 21 1HB ARG 21 -15.129 29.733 1.814 143 HB3 ARG 21 2HB ARG 21 -14.673 28.266 2.671 144 HG2 ARG 21 1HG ARG 21 -13.007 29.606 3.945 145 HG3 ARG 21 2HG ARG 21 -13.657 31.053 3.171 146 HD2 ARG 21 1HD ARG 21 -15.822 30.662 4.151 147 HD3 ARG 21 2HD ARG 21 -15.287 29.116 4.808 148 HE ARG 21 HE ARG 21 -14.393 30.245 6.573 149 HH11 ARG 21 1HH1 ARG 21 -14.780 32.466 3.920 150 HH12 ARG 21 2HH1 ARG 21 -14.295 33.852 4.839 151 HH21 ARG 21 1HH2 ARG 21 -13.753 32.063 7.794 152 HH22 ARG 21 2HH2 ARG 21 -13.711 33.622 7.042 153 H ALA 22 H ALA 22 -14.350 26.880 0.460 154 HA ALA 22 HA ALA 22 -13.043 24.898 1.942 155 HB1 ALA 22 1HB ALA 22 -14.309 23.394 0.788 156 HB2 ALA 22 2HB ALA 22 -15.217 24.865 0.437 157 HB3 ALA 22 3HB ALA 22 -14.088 24.220 -0.755 158 H LYS 23 H LYS 23 -12.471 26.014 -1.387 159 HA LYS 23 HA LYS 23 -10.439 24.269 -2.091 160 HB2 LYS 23 1HB LYS 23 -10.803 27.169 -2.861 161 HB3 LYS 23 2HB LYS 23 -9.689 26.064 -3.655 162 HG2 LYS 23 1HG LYS 23 -12.154 24.757 -3.670 163 HG3 LYS 23 2HG LYS 23 -12.508 26.439 -4.072 164 HD2 LYS 23 1HD LYS 23 -10.224 25.058 -5.412 165 HD3 LYS 23 2HD LYS 23 -11.872 24.732 -5.953 166 HE2 LYS 23 1HE LYS 23 -12.230 26.979 -6.550 167 HE3 LYS 23 2HE LYS 23 -10.818 27.529 -5.650 168 HZ1 LYS 23 3HZ LYS 23 -10.969 26.784 -8.340 169 HZ2 LYS 23 1HZ LYS 23 -9.975 25.662 -7.556 170 HZ3 LYS 23 2HZ LYS 23 -9.614 27.312 -7.476 171 H ALA 24 H ALA 24 -10.051 27.548 -0.738 172 HA ALA 24 HA ALA 24 -7.276 27.451 -0.429 173 HB1 ALA 24 1HB ALA 24 -8.921 28.976 1.530 174 HB2 ALA 24 2HB ALA 24 -7.457 29.454 0.669 175 HB3 ALA 24 3HB ALA 24 -9.004 29.414 -0.177 176 H LEU 25 H LEU 25 -9.868 26.324 1.657 177 HA LEU 25 HA LEU 25 -8.358 25.885 3.986 178 HB2 LEU 25 1HB LEU 25 -10.848 25.882 3.811 179 HB3 LEU 25 2HB LEU 25 -10.740 24.298 3.046 180 HG LEU 25 HG LEU 25 -11.348 24.343 5.506 181 HD11 LEU 25 1HD1 LEU 25 -9.987 22.518 4.004 182 HD12 LEU 25 2HD1 LEU 25 -10.598 22.239 5.635 183 HD13 LEU 25 3HD1 LEU 25 -8.918 22.719 5.393 184 HD21 LEU 25 3HD2 LEU 25 -9.572 26.103 6.001 185 HD22 LEU 25 1HD2 LEU 25 -8.406 24.781 5.928 186 HD23 LEU 25 2HD2 LEU 25 -9.700 24.750 7.127 187 H LEU 26 H LEU 26 -9.080 23.780 1.229 188 HA LEU 26 HA LEU 26 -7.665 21.537 2.300 189 HB2 LEU 26 1HB LEU 26 -9.155 22.186 -0.132 190 HB3 LEU 26 2HB LEU 26 -7.795 21.096 -0.398 191 HG LEU 26 HG LEU 26 -10.092 20.628 1.503 192 HD11 LEU 26 1HD1 LEU 26 -10.974 20.304 -0.624 193 HD12 LEU 26 2HD1 LEU 26 -10.448 18.689 -0.148 194 HD13 LEU 26 3HD1 LEU 26 -9.465 19.645 -1.256 195 HD21 LEU 26 3HD2 LEU 26 -8.858 18.239 1.178 196 HD22 LEU 26 1HD2 LEU 26 -8.567 19.335 2.529 197 HD23 LEU 26 2HD2 LEU 26 -7.477 19.337 1.142 198 H ALA 27 H ALA 27 -6.853 24.268 0.294 199 HA ALA 27 HA ALA 27 -4.374 23.215 -0.670 200 HB1 ALA 27 1HB ALA 27 -3.946 25.638 -1.272 201 HB2 ALA 27 2HB ALA 27 -5.368 24.889 -1.998 202 HB3 ALA 27 3HB ALA 27 -5.551 25.980 -0.625 203 H ARG 28 H ARG 28 -5.401 24.852 2.204 204 HA ARG 28 HA ARG 28 -3.104 26.077 3.098 205 HB2 ARG 28 1HB ARG 28 -5.423 25.960 4.195 206 HB3 ARG 28 2HB ARG 28 -4.865 24.463 4.929 207 HG2 ARG 28 1HG ARG 28 -2.888 25.839 5.791 208 HG3 ARG 28 2HG ARG 28 -3.856 27.250 5.358 209 HD2 ARG 28 1HD ARG 28 -5.585 26.631 6.863 210 HD3 ARG 28 2HD ARG 28 -4.879 25.036 7.120 211 HE ARG 28 HE ARG 28 -3.059 27.058 7.894 212 HH11 ARG 28 1HH1 ARG 28 -5.998 25.486 8.900 213 HH12 ARG 28 2HH1 ARG 28 -5.729 25.775 10.587 214 HH21 ARG 28 1HH2 ARG 28 -2.694 27.444 10.113 215 HH22 ARG 28 2HH2 ARG 28 -3.850 26.889 11.276 216 H LYS 29 H LYS 29 -4.068 22.695 3.671 217 HA LYS 29 HA LYS 29 -1.571 22.021 4.899 218 HB2 LYS 29 1HB LYS 29 -2.423 19.706 4.829 219 HB3 LYS 29 2HB LYS 29 -3.592 20.825 5.517 220 HG2 LYS 29 1HG LYS 29 -4.441 20.903 3.011 221 HG3 LYS 29 2HG LYS 29 -3.680 19.311 2.970 222 HD2 LYS 29 1HD LYS 29 -5.725 20.185 5.009 223 HD3 LYS 29 2HD LYS 29 -6.090 19.242 3.562 224 HE2 LYS 29 1HE LYS 29 -4.649 17.451 4.334 225 HE3 LYS 29 2HE LYS 29 -4.179 18.403 5.741 226 HZ1 LYS 29 3HZ LYS 29 -6.521 18.370 6.447 227 HZ2 LYS 29 1HZ LYS 29 -5.849 16.820 6.365 228 HZ3 LYS 29 2HZ LYS 29 -6.892 17.354 5.146 229 H GLY 30 H GLY 30 -2.629 22.335 1.684 230 HA2 GLY 30 1HA GLY 30 -1.002 22.317 -0.087 231 HA3 GLY 30 2HA GLY 30 -0.155 21.032 0.760 232 H ALA 31 H ALA 31 -3.175 20.081 1.148 233 HA ALA 31 HA ALA 31 -3.101 17.923 -0.565 234 HB1 ALA 31 1HB ALA 31 -5.673 19.226 0.286 235 HB2 ALA 31 2HB ALA 31 -5.354 17.515 -0.006 236 HB3 ALA 31 3HB ALA 31 -4.652 18.316 1.400 237 H GLU 32 H GLU 32 -3.023 17.872 -2.708 238 HA GLU 32 HA GLU 32 -4.051 20.069 -4.287 239 HB2 GLU 32 1HB GLU 32 -2.358 17.673 -4.806 240 HB3 GLU 32 2HB GLU 32 -3.226 18.375 -6.164 241 HG2 GLU 32 1HG GLU 32 -1.297 19.828 -4.368 242 HG3 GLU 32 2HG GLU 32 -0.958 19.243 -5.996 243 H PHE 33 H PHE 33 -5.702 19.961 -5.792 244 HA PHE 33 HA PHE 33 -7.206 17.502 -6.114 245 HB2 PHE 33 1HB PHE 33 -9.349 18.578 -5.437 246 HB3 PHE 33 2HB PHE 33 -8.226 18.364 -4.099 247 HD1 PHE 33 HD1 PHE 33 -9.570 20.847 -6.488 248 HD2 PHE 33 HD2 PHE 33 -7.485 20.195 -2.835 249 HE1 PHE 33 HE1 PHE 33 -9.752 23.243 -5.961 250 HE2 PHE 33 HE2 PHE 33 -7.664 22.591 -2.302 251 HZ PHE 33 HZ PHE 33 -8.799 24.118 -3.865 252 H ASN 34 H ASN 34 -8.403 17.442 -7.984 253 HA ASN 34 HA ASN 34 -7.725 19.359 -9.992 254 HB2 ASN 34 1HB ASN 34 -8.154 16.829 -10.277 255 HB3 ASN 34 2HB ASN 34 -9.862 17.258 -10.283 256 HD21 ASN 34 2HD2 ASN 34 -9.572 16.209 -12.450 257 HD22 ASN 34 1HD2 ASN 34 -9.164 17.243 -13.772 258 H GLU 35 H GLU 35 -8.715 21.218 -10.376 259 HA GLU 35 HA GLU 35 -11.283 21.784 -9.160 260 HB2 GLU 35 1HB GLU 35 -9.475 23.457 -9.096 261 HB3 GLU 35 2HB GLU 35 -9.492 23.537 -10.852 262 HG2 GLU 35 1HG GLU 35 -12.049 24.098 -10.416 263 HG3 GLU 35 2HG GLU 35 -11.392 24.658 -8.880 264 H ILE 36 H ILE 36 -13.143 21.416 -10.150 265 HA ILE 36 HA ILE 36 -13.266 21.672 -13.079 266 HB ILE 36 HB ILE 36 -14.700 19.541 -11.490 267 HG12 ILE 36 1HG1 ILE 36 -12.316 19.299 -13.339 268 HG13 ILE 36 2HG1 ILE 36 -12.277 19.120 -11.588 269 HG21 ILE 36 1HG2 ILE 36 -15.944 20.225 -13.440 270 HG22 ILE 36 2HG2 ILE 36 -14.509 20.068 -14.452 271 HG23 ILE 36 3HG2 ILE 36 -15.239 18.635 -13.727 272 HD11 ILE 36 3HD1 ILE 36 -12.280 16.943 -12.410 273 HD12 ILE 36 1HD1 ILE 36 -13.952 17.228 -11.925 274 HD13 ILE 36 2HD1 ILE 36 -13.501 17.306 -13.629 275 H ASP 37 H ASP 37 -15.210 22.430 -13.930 276 HA ASP 37 HA ASP 37 -17.015 23.650 -11.949 277 HB2 ASP 37 1HB ASP 37 -16.181 24.517 -14.710 278 HB3 ASP 37 2HB ASP 37 -17.621 25.169 -13.933 279 H ALA 38 H ALA 38 -19.226 23.461 -12.178 280 HA ALA 38 HA ALA 38 -20.136 21.515 -14.199 281 HB1 ALA 38 1HB ALA 38 -20.974 20.257 -12.577 282 HB2 ALA 38 2HB ALA 38 -20.294 21.365 -11.384 283 HB3 ALA 38 3HB ALA 38 -21.933 21.615 -11.987 284 H SER 39 H SER 39 -20.727 24.541 -12.579 285 HA SER 39 HA SER 39 -23.361 25.030 -13.366 286 HB2 SER 39 1HB SER 39 -21.934 26.386 -11.748 287 HB3 SER 39 2HB SER 39 -21.230 27.160 -13.167 288 HG SER 39 HG SER 39 -22.884 28.453 -12.895 289 H ALA 40 H ALA 40 -20.448 24.996 -15.194 290 HA ALA 40 HA ALA 40 -20.951 26.738 -17.273 291 HB1 ALA 40 1HB ALA 40 -18.891 25.310 -16.868 292 HB2 ALA 40 2HB ALA 40 -19.750 24.017 -17.706 293 HB3 ALA 40 3HB ALA 40 -19.388 25.525 -18.546 294 H THR 41 H THR 41 -22.109 23.415 -16.862 295 HA THR 41 HA THR 41 -24.002 23.889 -19.073 296 HB THR 41 HB THR 41 -23.973 21.217 -19.022 297 HG1 THR 41 HG1 THR 41 -21.403 22.033 -18.106 298 HG21 THR 41 3HG2 THR 41 -21.757 22.683 -20.432 299 HG22 THR 41 1HG2 THR 41 -23.446 22.854 -20.908 300 HG23 THR 41 2HG2 THR 41 -22.665 21.275 -20.982 301 HA PRO 42 HA PRO 42 -27.348 23.043 -16.363 302 HB2 PRO 42 1HB PRO 42 -29.050 21.664 -17.966 303 HB3 PRO 42 2HB PRO 42 -28.752 23.397 -18.146 304 HG2 PRO 42 1HG PRO 42 -27.590 21.105 -19.683 305 HG3 PRO 42 2HG PRO 42 -28.188 22.664 -20.280 306 HD2 PRO 42 1HD PRO 42 -25.552 22.150 -19.937 307 HD3 PRO 42 2HD PRO 42 -26.246 23.768 -19.714 308 H GLU 43 H GLU 43 -26.347 20.207 -18.265 309 HA GLU 43 HA GLU 43 -27.479 18.267 -16.571 310 HB2 GLU 43 1HB GLU 43 -25.288 18.210 -18.622 311 HB3 GLU 43 2HB GLU 43 -25.635 16.786 -17.651 312 HG2 GLU 43 1HG GLU 43 -28.033 17.012 -18.436 313 HG3 GLU 43 2HG GLU 43 -27.430 18.182 -19.609 314 H LEU 44 H LEU 44 -24.206 19.634 -16.709 315 HA LEU 44 HA LEU 44 -23.162 18.067 -14.592 316 HB2 LEU 44 1HB LEU 44 -22.311 20.551 -16.009 317 HB3 LEU 44 2HB LEU 44 -21.487 20.080 -14.523 318 HG LEU 44 HG LEU 44 -21.719 18.293 -16.939 319 HD11 LEU 44 1HD1 LEU 44 -20.233 20.640 -16.754 320 HD12 LEU 44 2HD1 LEU 44 -20.022 19.333 -17.919 321 HD13 LEU 44 3HD1 LEU 44 -19.084 19.342 -16.425 322 HD21 LEU 44 3HD2 LEU 44 -20.399 18.126 -14.280 323 HD22 LEU 44 1HD2 LEU 44 -19.578 17.413 -15.669 324 HD23 LEU 44 2HD2 LEU 44 -21.198 16.872 -15.229 325 H ARG 45 H ARG 45 -25.065 20.952 -14.699 326 HA ARG 45 HA ARG 45 -24.454 21.753 -11.992 327 HB2 ARG 45 1HB ARG 45 -24.977 23.509 -13.530 328 HB3 ARG 45 2HB ARG 45 -26.471 22.719 -14.017 329 HG2 ARG 45 1HG ARG 45 -26.240 23.370 -11.155 330 HG3 ARG 45 2HG ARG 45 -26.350 24.743 -12.259 331 HD2 ARG 45 1HD ARG 45 -28.244 22.471 -12.604 332 HD3 ARG 45 2HD ARG 45 -28.509 23.596 -11.273 333 HE ARG 45 HE ARG 45 -28.187 25.235 -13.392 334 HH11 ARG 45 1HH1 ARG 45 -30.204 22.455 -12.825 335 HH12 ARG 45 2HH1 ARG 45 -31.474 23.000 -13.870 336 HH21 ARG 45 1HH2 ARG 45 -29.852 25.964 -14.770 337 HH22 ARG 45 2HH2 ARG 45 -31.272 24.996 -14.976 338 H ALA 46 H ALA 46 -26.867 19.857 -13.644 339 HA ALA 46 HA ALA 46 -28.778 19.822 -11.530 340 HB1 ALA 46 1HB ALA 46 -29.464 17.643 -12.863 341 HB2 ALA 46 2HB ALA 46 -29.787 19.258 -13.495 342 HB3 ALA 46 3HB ALA 46 -28.395 18.345 -14.078 343 H GLU 47 H GLU 47 -26.405 17.415 -12.667 344 HA GLU 47 HA GLU 47 -26.857 15.452 -10.775 345 HB2 GLU 47 1HB GLU 47 -24.517 14.742 -11.183 346 HB3 GLU 47 2HB GLU 47 -25.407 15.059 -12.666 347 HG2 GLU 47 1HG GLU 47 -24.328 17.226 -12.872 348 HG3 GLU 47 2HG GLU 47 -23.461 16.950 -11.363 349 H MET 48 H MET 48 -25.070 18.448 -10.483 350 HA MET 48 HA MET 48 -23.742 17.858 -8.058 351 HB2 MET 48 1HB MET 48 -24.193 20.209 -9.743 352 HB3 MET 48 2HB MET 48 -24.093 20.591 -8.030 353 HG2 MET 48 1HG MET 48 -21.959 19.111 -8.098 354 HG3 MET 48 2HG MET 48 -22.026 19.421 -9.831 355 HE1 MET 48 3HE MET 48 -23.085 21.848 -10.337 356 HE2 MET 48 1HE MET 48 -23.276 22.957 -8.979 357 HE3 MET 48 2HE MET 48 -21.948 23.179 -10.117 358 H GLN 49 H GLN 49 -26.801 19.522 -8.758 359 HA GLN 49 HA GLN 49 -27.406 19.914 -5.978 360 HB2 GLN 49 1HB GLN 49 -29.537 20.795 -6.771 361 HB3 GLN 49 2HB GLN 49 -28.204 21.483 -7.689 362 HG2 GLN 49 1HG GLN 49 -28.781 20.399 -9.614 363 HG3 GLN 49 2HG GLN 49 -29.559 19.066 -8.760 364 HE21 GLN 49 2HE2 GLN 49 -30.042 22.553 -8.453 365 HE22 GLN 49 1HE2 GLN 49 -31.714 22.539 -8.887 366 H GLU 50 H GLU 50 -27.726 17.345 -8.174 367 HA GLU 50 HA GLU 50 -30.075 16.137 -7.106 368 HB2 GLU 50 1HB GLU 50 -29.153 15.662 -9.375 369 HB3 GLU 50 2HB GLU 50 -27.812 14.818 -8.613 370 HG2 GLU 50 1HG GLU 50 -29.597 13.325 -9.452 371 HG3 GLU 50 2HG GLU 50 -29.271 13.150 -7.729 372 H ARG 51 H ARG 51 -26.820 16.325 -6.072 373 HA ARG 51 HA ARG 51 -27.186 14.062 -4.231 374 HB2 ARG 51 1HB ARG 51 -24.629 15.536 -4.881 375 HB3 ARG 51 2HB ARG 51 -24.785 14.048 -3.957 376 HG2 ARG 51 1HG ARG 51 -25.351 12.797 -5.868 377 HG3 ARG 51 2HG ARG 51 -25.641 14.250 -6.826 378 HD2 ARG 51 1HD ARG 51 -23.406 14.653 -7.142 379 HD3 ARG 51 2HD ARG 51 -22.939 13.840 -5.650 380 HE ARG 51 HE ARG 51 -23.192 12.665 -8.247 381 HH11 ARG 51 1HH1 ARG 51 -23.385 12.044 -4.827 382 HH12 ARG 51 2HH1 ARG 51 -23.029 10.356 -4.980 383 HH21 ARG 51 1HH2 ARG 51 -22.722 10.443 -8.462 384 HH22 ARG 51 2HH2 ARG 51 -22.651 9.446 -7.049 385 H SER 52 H SER 52 -26.376 17.488 -4.390 386 HA SER 52 HA SER 52 -26.055 17.735 -1.539 387 HB2 SER 52 1HB SER 52 -24.972 19.173 -3.432 388 HB3 SER 52 2HB SER 52 -26.487 20.073 -3.374 389 HG SER 52 HG SER 52 -25.027 19.534 -1.023 390 H GLY 53 H GLY 53 -28.574 18.379 -3.913 391 HA2 GLY 53 1HA GLY 53 -30.869 18.461 -3.533 392 HA3 GLY 53 2HA GLY 53 -30.558 18.412 -1.804 393 H ARG 54 H ARG 54 -28.831 20.743 -3.654 394 HA ARG 54 HA ARG 54 -30.772 22.841 -3.027 395 HB2 ARG 54 1HB ARG 54 -27.852 23.020 -2.267 396 HB3 ARG 54 2HB ARG 54 -29.077 24.255 -2.008 397 HG2 ARG 54 1HG ARG 54 -30.283 22.590 -0.552 398 HG3 ARG 54 2HG ARG 54 -28.840 21.580 -0.663 399 HD2 ARG 54 1HD ARG 54 -28.741 22.879 1.361 400 HD3 ARG 54 2HD ARG 54 -27.507 23.457 0.242 401 HE ARG 54 HE ARG 54 -28.549 25.485 0.226 402 HH11 ARG 54 1HH1 ARG 54 -30.805 23.082 1.347 403 HH12 ARG 54 2HH1 ARG 54 -32.040 24.234 1.733 404 HH21 ARG 54 1HH2 ARG 54 -30.167 27.011 0.730 405 HH22 ARG 54 2HH2 ARG 54 -31.677 26.468 1.381 406 H ASN 55 H ASN 55 -29.832 25.029 -3.911 407 HA ASN 55 HA ASN 55 -29.823 24.997 -6.628 408 HB2 ASN 55 1HB ASN 55 -30.046 27.113 -5.661 409 HB3 ASN 55 2HB ASN 55 -28.604 26.919 -4.670 410 HD21 ASN 55 2HD2 ASN 55 -27.440 28.636 -5.289 411 HD22 ASN 55 1HD2 ASN 55 -26.906 28.931 -6.905 412 H THR 56 H THR 56 -26.789 25.757 -4.939 413 HA THR 56 HA THR 56 -25.320 23.737 -6.370 414 HB THR 56 HB THR 56 -23.743 25.776 -7.172 415 HG1 THR 56 HG1 THR 56 -25.627 27.182 -6.452 416 HG21 THR 56 3HG2 THR 56 -25.064 23.782 -8.389 417 HG22 THR 56 1HG2 THR 56 -24.212 25.048 -9.273 418 HG23 THR 56 2HG2 THR 56 -25.957 25.157 -9.037 419 H PHE 57 H PHE 57 -23.539 23.160 -5.266 420 HA PHE 57 HA PHE 57 -22.299 25.042 -3.415 421 HB2 PHE 57 1HB PHE 57 -22.804 23.958 -1.490 422 HB3 PHE 57 2HB PHE 57 -24.178 23.363 -2.416 423 HD1 PHE 57 HD1 PHE 57 -23.514 21.209 -3.915 424 HD2 PHE 57 HD2 PHE 57 -21.667 22.398 -0.270 425 HE1 PHE 57 HE1 PHE 57 -22.763 18.895 -3.545 426 HE2 PHE 57 HE2 PHE 57 -20.912 20.087 0.106 427 HZ PHE 57 HZ PHE 57 -21.459 18.332 -1.533 428 HA PRO 58 HA PRO 58 -18.533 23.105 -4.556 429 HB2 PRO 58 1HB PRO 58 -17.127 23.103 -2.234 430 HB3 PRO 58 2HB PRO 58 -17.453 24.574 -3.157 431 HG2 PRO 58 1HG PRO 58 -18.856 23.505 -0.738 432 HG3 PRO 58 2HG PRO 58 -18.371 25.171 -1.105 433 HD2 PRO 58 1HD PRO 58 -20.909 24.287 -1.433 434 HD3 PRO 58 2HD PRO 58 -20.190 25.532 -2.474 435 H GLN 59 H GLN 59 -18.393 21.017 -5.078 436 HA GLN 59 HA GLN 59 -19.070 18.976 -3.100 437 HB2 GLN 59 1HB GLN 59 -19.193 19.181 -5.997 438 HB3 GLN 59 2HB GLN 59 -18.417 17.690 -5.479 439 HG2 GLN 59 1HG GLN 59 -20.428 16.826 -5.186 440 HG3 GLN 59 2HG GLN 59 -20.658 17.948 -3.845 441 HE21 GLN 59 2HE2 GLN 59 -20.805 20.336 -5.234 442 HE22 GLN 59 1HE2 GLN 59 -22.245 20.347 -6.187 443 H ILE 60 H ILE 60 -17.601 17.730 -2.126 444 HA ILE 60 HA ILE 60 -14.809 17.931 -3.045 445 HB ILE 60 HB ILE 60 -15.814 17.324 -0.262 446 HG12 ILE 60 1HG1 ILE 60 -16.188 19.665 -0.901 447 HG13 ILE 60 2HG1 ILE 60 -14.926 19.539 0.319 448 HG21 ILE 60 1HG2 ILE 60 -13.778 16.568 0.185 449 HG22 ILE 60 2HG2 ILE 60 -13.320 16.803 -1.501 450 HG23 ILE 60 3HG2 ILE 60 -13.085 18.104 -0.334 451 HD11 ILE 60 3HD1 ILE 60 -14.818 20.625 -2.354 452 HD12 ILE 60 1HD1 ILE 60 -13.699 20.821 -1.005 453 HD13 ILE 60 2HD1 ILE 60 -13.554 19.427 -2.076 454 H PHE 61 H PHE 61 -14.531 16.182 -4.325 455 HA PHE 61 HA PHE 61 -15.483 13.574 -3.404 456 HB2 PHE 61 1HB PHE 61 -14.186 14.278 -6.043 457 HB3 PHE 61 2HB PHE 61 -15.026 12.783 -5.643 458 HD1 PHE 61 HD2 PHE 61 -17.445 13.706 -4.338 459 HD2 PHE 61 HD1 PHE 61 -15.399 15.303 -7.712 460 HE1 PHE 61 HE2 PHE 61 -19.555 14.673 -5.156 461 HE2 PHE 61 HE1 PHE 61 -17.504 16.273 -8.534 462 HZ PHE 61 HZ PHE 61 -19.586 15.958 -7.257 463 H ILE 62 H ILE 62 -14.149 12.467 -2.143 464 HA ILE 62 HA ILE 62 -11.253 12.645 -2.657 465 HB ILE 62 HB ILE 62 -12.683 12.007 -0.075 466 HG12 ILE 62 1HG1 ILE 62 -10.982 14.363 -0.919 467 HG13 ILE 62 2HG1 ILE 62 -12.718 14.383 -0.627 468 HG21 ILE 62 1HG2 ILE 62 -9.730 12.115 -0.677 469 HG22 ILE 62 2HG2 ILE 62 -10.440 11.942 0.927 470 HG23 ILE 62 3HG2 ILE 62 -10.665 10.674 -0.278 471 HD11 ILE 62 3HD1 ILE 62 -10.467 14.271 1.308 472 HD12 ILE 62 1HD1 ILE 62 -11.935 15.248 1.333 473 HD13 ILE 62 2HD1 ILE 62 -12.009 13.535 1.746 474 H GLY 63 H GLY 63 -10.528 10.917 -3.708 475 HA2 GLY 63 1HA GLY 63 -10.107 8.721 -4.237 476 HA3 GLY 63 2HA GLY 63 -10.778 8.299 -2.668 477 H SER 64 H SER 64 -12.678 7.272 -2.603 478 HA SER 64 HA SER 64 -14.275 7.201 -5.079 479 HB2 SER 64 1HB SER 64 -13.535 5.003 -3.165 480 HB3 SER 64 2HB SER 64 -14.987 4.878 -4.158 481 HG SER 64 HG SER 64 -13.233 3.939 -5.225 482 H VAL 65 H VAL 65 -14.315 8.656 -2.299 483 HA VAL 65 HA VAL 65 -17.187 8.187 -1.819 484 HB VAL 65 HB VAL 65 -15.214 9.097 0.276 485 HG11 VAL 65 1HG1 VAL 65 -17.299 8.054 1.616 486 HG12 VAL 65 2HG1 VAL 65 -17.181 9.758 1.171 487 HG13 VAL 65 3HG1 VAL 65 -18.129 8.650 0.179 488 HG21 VAL 65 3HG2 VAL 65 -14.503 6.984 0.361 489 HG22 VAL 65 1HG2 VAL 65 -16.101 6.574 0.985 490 HG23 VAL 65 2HG2 VAL 65 -15.766 6.435 -0.741 491 H HIS 66 H HIS 66 -18.450 10.010 -1.261 492 HA HIS 66 HA HIS 66 -17.317 12.537 -2.236 493 HB2 HIS 66 1HB HIS 66 -19.290 11.791 -3.442 494 HB3 HIS 66 2HB HIS 66 -20.191 11.642 -1.937 495 HD1 HIS 66 HD1 HIS 66 -21.955 13.330 -2.847 496 HD2 HIS 66 HD2 HIS 66 -18.128 14.890 -2.426 497 HE1 HIS 66 HE1 HIS 66 -22.223 15.824 -3.020 498 H VAL 67 H VAL 67 -16.393 13.510 -0.505 499 HA VAL 67 HA VAL 67 -17.220 13.412 2.143 500 HB VAL 67 HB VAL 67 -15.751 15.611 0.687 501 HG11 VAL 67 1HG1 VAL 67 -16.347 15.244 3.608 502 HG12 VAL 67 2HG1 VAL 67 -14.973 16.196 3.041 503 HG13 VAL 67 3HG1 VAL 67 -16.616 16.666 2.600 504 HG21 VAL 67 3HG2 VAL 67 -13.901 14.483 2.224 505 HG22 VAL 67 1HG2 VAL 67 -14.967 13.090 2.041 506 HG23 VAL 67 2HG2 VAL 67 -14.282 13.870 0.615 507 H GLY 68 H GLY 68 -17.453 16.452 0.330 508 HA2 GLY 68 1HA GLY 68 -20.184 16.836 0.327 509 HA3 GLY 68 2HA GLY 68 -19.648 17.351 1.919 510 H GLY 69 H GLY 69 -18.982 19.390 2.145 511 HA2 GLY 69 1HA GLY 69 -17.794 20.801 -0.109 512 HA3 GLY 69 2HA GLY 69 -19.332 21.429 0.466 513 H CYS 70 H CYS 70 -18.504 23.387 1.158 514 HA CYS 70 HA CYS 70 -16.206 23.771 2.685 515 HB2 CYS 70 1HB CYS 70 -17.104 25.947 3.239 516 HB3 CYS 70 2HB CYS 70 -17.498 25.577 1.565 517 HG CYS 70 HG CYS 70 -19.498 26.555 3.889 518 H ASP 71 H ASP 71 -19.425 22.790 3.622 519 HA ASP 71 HA ASP 71 -19.083 23.210 6.421 520 HB2 ASP 71 1HB ASP 71 -21.299 23.049 5.260 521 HB3 ASP 71 2HB ASP 71 -21.012 21.324 5.056 522 H ASP 72 H ASP 72 -18.954 20.314 4.359 523 HA ASP 72 HA ASP 72 -18.262 18.526 6.436 524 HB2 ASP 72 1HB ASP 72 -17.952 18.386 3.439 525 HB3 ASP 72 2HB ASP 72 -17.468 17.067 4.502 526 H LEU 73 H LEU 73 -16.347 20.467 4.203 527 HA LEU 73 HA LEU 73 -13.834 19.343 4.821 528 HB2 LEU 73 1HB LEU 73 -14.619 20.985 2.923 529 HB3 LEU 73 2HB LEU 73 -14.097 22.215 4.072 530 HG LEU 73 HG LEU 73 -11.845 21.116 4.092 531 HD11 LEU 73 1HD1 LEU 73 -13.009 18.978 3.022 532 HD12 LEU 73 2HD1 LEU 73 -11.306 19.356 2.767 533 HD13 LEU 73 3HD1 LEU 73 -12.495 19.773 1.534 534 HD21 LEU 73 3HD2 LEU 73 -12.625 21.957 1.317 535 HD22 LEU 73 1HD2 LEU 73 -11.107 22.236 2.171 536 HD23 LEU 73 2HD2 LEU 73 -12.564 23.103 2.657 537 H TYR 74 H TYR 74 -15.446 22.277 6.029 538 HA TYR 74 HA TYR 74 -13.418 22.976 7.863 539 HB2 TYR 74 1HB TYR 74 -16.220 23.796 7.355 540 HB3 TYR 74 2HB TYR 74 -15.596 24.120 8.968 541 HD1 TYR 74 HD2 TYR 74 -14.218 24.368 5.495 542 HD2 TYR 74 HD1 TYR 74 -14.898 26.295 9.227 543 HE1 TYR 74 HE2 TYR 74 -13.097 26.387 4.650 544 HE2 TYR 74 HE1 TYR 74 -13.780 28.320 8.392 545 HH TYR 74 HH TYR 74 -11.797 28.461 5.973 546 H ALA 75 H ALA 75 -16.251 20.916 8.102 547 HA ALA 75 HA ALA 75 -16.107 20.578 10.938 548 HB1 ALA 75 1HB ALA 75 -17.679 18.653 10.477 549 HB2 ALA 75 2HB ALA 75 -18.226 20.245 9.948 550 HB3 ALA 75 3HB ALA 75 -17.580 19.099 8.773 551 H LEU 76 H LEU 76 -14.748 18.941 8.161 552 HA LEU 76 HA LEU 76 -13.862 16.647 9.654 553 HB2 LEU 76 1HB LEU 76 -13.563 17.633 6.862 554 HB3 LEU 76 2HB LEU 76 -12.424 16.425 7.454 555 HG LEU 76 HG LEU 76 -14.716 15.823 6.190 556 HD11 LEU 76 1HD1 LEU 76 -13.192 14.341 8.304 557 HD12 LEU 76 2HD1 LEU 76 -13.135 14.148 6.553 558 HD13 LEU 76 3HD1 LEU 76 -14.548 13.600 7.454 559 HD21 LEU 76 3HD2 LEU 76 -16.019 16.861 8.070 560 HD22 LEU 76 1HD2 LEU 76 -15.425 15.562 9.105 561 HD23 LEU 76 2HD2 LEU 76 -16.432 15.185 7.707 562 H GLU 77 H GLU 77 -12.566 19.750 8.748 563 HA GLU 77 HA GLU 77 -9.833 19.130 9.282 564 HB2 GLU 77 1HB GLU 77 -11.260 21.306 8.213 565 HB3 GLU 77 2HB GLU 77 -10.438 21.927 9.637 566 HG2 GLU 77 1HG GLU 77 -8.478 20.455 8.417 567 HG3 GLU 77 2HG GLU 77 -9.365 21.128 7.051 568 H ASP 78 H ASP 78 -12.404 20.733 11.127 569 HA ASP 78 HA ASP 78 -10.926 21.442 13.376 570 HB2 ASP 78 1HB ASP 78 -13.448 21.871 12.687 571 HB3 ASP 78 2HB ASP 78 -13.730 20.478 13.726 572 H GLU 79 H GLU 79 -12.043 18.345 12.323 573 HA GLU 79 HA GLU 79 -11.514 17.134 14.931 574 HB2 GLU 79 1HB GLU 79 -12.578 15.898 12.385 575 HB3 GLU 79 2HB GLU 79 -12.431 15.080 13.934 576 HG2 GLU 79 1HG GLU 79 -13.899 17.384 14.472 577 HG3 GLU 79 2HG GLU 79 -14.533 16.777 12.944 578 H GLY 80 H GLY 80 -10.048 17.616 11.866 579 HA2 GLY 80 1HA GLY 80 -7.903 17.128 11.170 580 HA3 GLY 80 2HA GLY 80 -7.610 16.398 12.742 581 H LYS 81 H LYS 81 -10.306 15.338 10.840 582 HA LYS 81 HA LYS 81 -9.028 12.725 10.549 583 HB2 LYS 81 1HB LYS 81 -11.903 13.547 10.095 584 HB3 LYS 81 2HB LYS 81 -11.285 11.901 10.048 585 HG2 LYS 81 1HG LYS 81 -10.973 13.584 12.502 586 HG3 LYS 81 2HG LYS 81 -12.478 12.722 12.172 587 HD2 LYS 81 1HD LYS 81 -11.473 11.038 13.280 588 HD3 LYS 81 2HD LYS 81 -10.660 10.760 11.738 589 HE2 LYS 81 1HE LYS 81 -9.257 12.787 13.173 590 HE3 LYS 81 2HE LYS 81 -9.511 11.409 14.242 591 HZ1 LYS 81 3HZ LYS 81 -8.662 10.664 11.600 592 HZ2 LYS 81 1HZ LYS 81 -8.061 10.179 13.105 593 HZ3 LYS 81 2HZ LYS 81 -7.532 11.627 12.411 594 H LEU 82 H LEU 82 -10.063 15.443 8.682 595 HA LEU 82 HA LEU 82 -10.477 14.355 6.177 596 HB2 LEU 82 1HB LEU 82 -10.419 16.851 7.148 597 HB3 LEU 82 2HB LEU 82 -8.874 16.839 6.300 598 HG LEU 82 HG LEU 82 -11.280 15.931 4.809 599 HD11 LEU 82 1HD1 LEU 82 -12.273 17.948 4.589 600 HD12 LEU 82 2HD1 LEU 82 -10.764 18.839 4.785 601 HD13 LEU 82 3HD1 LEU 82 -11.599 18.196 6.199 602 HD21 LEU 82 3HD2 LEU 82 -8.750 16.149 4.081 603 HD22 LEU 82 1HD2 LEU 82 -9.224 17.824 3.797 604 HD23 LEU 82 2HD2 LEU 82 -10.067 16.516 2.966 605 H ASP 83 H ASP 83 -7.427 15.155 7.772 606 HA ASP 83 HA ASP 83 -5.654 14.814 5.685 607 HB2 ASP 83 1HB ASP 83 -4.944 15.602 7.877 608 HB3 ASP 83 2HB ASP 83 -5.299 14.029 8.585 609 H SER 84 H SER 84 -7.192 12.363 7.702 610 HA SER 84 HA SER 84 -5.727 10.188 6.531 611 HB2 SER 84 1HB SER 84 -8.065 10.373 8.418 612 HB3 SER 84 2HB SER 84 -7.565 8.823 7.741 613 HG SER 84 HG SER 84 -6.413 10.317 9.709 614 H LEU 85 H LEU 85 -8.670 11.883 5.848 615 HA LEU 85 HA LEU 85 -9.896 9.877 4.246 616 HB2 LEU 85 1HB LEU 85 -10.323 12.756 4.786 617 HB3 LEU 85 2HB LEU 85 -10.999 12.117 3.290 618 HG LEU 85 HG LEU 85 -12.670 12.137 5.046 619 HD11 LEU 85 1HD1 LEU 85 -12.124 9.247 4.913 620 HD12 LEU 85 2HD1 LEU 85 -12.174 10.092 3.366 621 HD13 LEU 85 3HD1 LEU 85 -13.562 10.158 4.451 622 HD21 LEU 85 3HD2 LEU 85 -10.622 10.537 6.553 623 HD22 LEU 85 1HD2 LEU 85 -12.335 10.504 6.969 624 HD23 LEU 85 2HD2 LEU 85 -11.440 12.022 7.044 625 H LEU 86 H LEU 86 -7.773 12.615 3.560 626 HA LEU 86 HA LEU 86 -7.840 12.138 0.711 627 HB2 LEU 86 1HB LEU 86 -6.186 13.950 0.602 628 HB3 LEU 86 2HB LEU 86 -7.636 14.405 1.494 629 HG LEU 86 HG LEU 86 -6.126 13.686 3.560 630 HD11 LEU 86 1HD1 LEU 86 -4.112 13.056 2.717 631 HD12 LEU 86 2HD1 LEU 86 -3.812 14.786 2.881 632 HD13 LEU 86 3HD1 LEU 86 -4.242 14.111 1.309 633 HD21 LEU 86 3HD2 LEU 86 -6.395 15.840 4.029 634 HD22 LEU 86 1HD2 LEU 86 -6.960 16.082 2.376 635 HD23 LEU 86 2HD2 LEU 86 -5.255 16.308 2.767 636 H LYS 87 H LYS 87 -5.926 11.177 3.419 637 HA LYS 87 HA LYS 87 -3.606 10.424 1.899 638 HB2 LYS 87 1HB LYS 87 -4.478 10.231 4.732 639 HB3 LYS 87 2HB LYS 87 -3.278 9.066 4.189 640 HG2 LYS 87 1HG LYS 87 -2.140 11.266 3.232 641 HG3 LYS 87 2HG LYS 87 -3.056 11.995 4.553 642 HD2 LYS 87 1HD LYS 87 -1.154 11.471 5.691 643 HD3 LYS 87 2HD LYS 87 -2.015 9.943 5.886 644 HE2 LYS 87 1HE LYS 87 0.141 9.328 5.205 645 HE3 LYS 87 2HE LYS 87 -0.839 9.206 3.745 646 HZ1 LYS 87 3HZ LYS 87 0.469 11.763 4.239 647 HZ2 LYS 87 1HZ LYS 87 0.212 10.941 2.782 648 HZ3 LYS 87 2HZ LYS 87 1.473 10.471 3.807 649 H THR 88 H THR 88 -6.278 8.671 3.455 650 HA THR 88 HA THR 88 -5.418 6.174 2.239 651 HB THR 88 HB THR 88 -7.085 5.087 3.543 652 HG1 THR 88 HG1 THR 88 -8.161 7.696 3.858 653 HG21 THR 88 3HG2 THR 88 -5.900 7.360 5.140 654 HG22 THR 88 1HG2 THR 88 -5.157 5.790 4.839 655 HG23 THR 88 2HG2 THR 88 -6.613 5.902 5.829 656 H GLY 89 H GLY 89 -8.062 8.502 1.990 657 HA2 GLY 89 1HA GLY 89 -9.269 8.964 0.030 658 HA3 GLY 89 2HA GLY 89 -8.672 7.465 -0.666 659 H LYS 90 H LYS 90 -9.934 7.265 2.515 660 HA LYS 90 HA LYS 90 -12.666 6.828 1.831 661 HB2 LYS 90 1HB LYS 90 -12.760 4.422 2.221 662 HB3 LYS 90 2HB LYS 90 -11.706 4.784 0.860 663 HG2 LYS 90 1HG LYS 90 -10.459 4.530 3.538 664 HG3 LYS 90 2HG LYS 90 -11.033 3.059 2.748 665 HD2 LYS 90 1HD LYS 90 -9.410 4.963 1.142 666 HD3 LYS 90 2HD LYS 90 -8.581 3.996 2.364 667 HE2 LYS 90 1HE LYS 90 -9.098 1.995 1.313 668 HE3 LYS 90 2HE LYS 90 -10.456 2.693 0.432 669 HZ1 LYS 90 3HZ LYS 90 -9.030 2.757 -1.267 670 HZ2 LYS 90 1HZ LYS 90 -7.668 2.581 -0.280 671 HZ3 LYS 90 2HZ LYS 90 -8.360 4.108 -0.501 672 H LEU 91 H LEU 91 -13.966 6.236 3.675 673 HA LEU 91 HA LEU 91 -12.615 6.853 6.215 674 HB2 LEU 91 1HB LEU 91 -14.932 7.454 6.992 675 HB3 LEU 91 2HB LEU 91 -14.227 8.509 5.769 676 HG LEU 91 HG LEU 91 -16.028 6.307 4.883 677 HD11 LEU 91 1HD1 LEU 91 -18.001 7.494 5.344 678 HD12 LEU 91 2HD1 LEU 91 -17.118 8.942 5.826 679 HD13 LEU 91 3HD1 LEU 91 -17.089 7.509 6.853 680 HD21 LEU 91 3HD2 LEU 91 -15.920 7.406 2.956 681 HD22 LEU 91 1HD2 LEU 91 -14.706 8.456 3.685 682 HD23 LEU 91 2HD2 LEU 91 -16.408 8.916 3.726 683 H ILE 92 H ILE 92 -12.871 5.547 7.977 684 HA ILE 92 HA ILE 92 -13.527 2.824 7.516 685 HB ILE 92 HB ILE 92 -13.143 2.503 9.916 686 HG12 ILE 92 1HG1 ILE 92 -12.227 4.776 11.006 687 HG13 ILE 92 2HG1 ILE 92 -13.424 5.463 9.914 688 HG21 ILE 92 1HG2 ILE 92 -10.902 4.268 9.455 689 HG22 ILE 92 2HG2 ILE 92 -10.954 2.508 9.524 690 HG23 ILE 92 3HG2 ILE 92 -11.306 3.341 8.010 691 HD11 ILE 92 3HD1 ILE 92 -14.006 4.758 12.393 692 HD12 ILE 92 1HD1 ILE 92 -15.172 4.613 11.078 693 HD13 ILE 92 2HD1 ILE 92 -14.270 3.196 11.618 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -0.297 3.677 6.633 2 HA2 GLY 1 1HA GLY 1 1.306 2.455 5.533 3 HA3 GLY 1 2HA GLY 1 0.316 1.036 5.840 4 HA PRO 2 HA PRO 2 -0.869 0.748 1.634 5 HB2 PRO 2 1HB PRO 2 -3.549 0.320 1.712 6 HB3 PRO 2 2HB PRO 2 -2.367 -0.894 2.217 7 HG2 PRO 2 1HG PRO 2 -3.981 0.990 3.892 8 HG3 PRO 2 2HG PRO 2 -3.633 -0.728 4.160 9 HD2 PRO 2 1HD PRO 2 -2.297 1.246 5.444 10 HD3 PRO 2 2HD PRO 2 -1.536 -0.300 5.015 11 H GLY 3 H GLY 3 -1.263 2.098 -0.027 12 HA2 GLY 3 1HA GLY 3 -2.111 3.869 -1.234 13 HA3 GLY 3 2HA GLY 3 -3.370 4.027 -0.018 14 H SER 4 H SER 4 -0.518 5.342 -1.284 15 HA SER 4 HA SER 4 0.054 6.941 1.086 16 HB2 SER 4 1HB SER 4 1.981 6.067 -0.091 17 HB3 SER 4 2HB SER 4 1.422 6.770 -1.609 18 HG SER 4 HG SER 4 1.926 8.763 -0.889 19 H MET 5 H MET 5 -1.586 7.170 -1.937 20 HA MET 5 HA MET 5 -2.586 9.780 -1.261 21 HB2 MET 5 1HB MET 5 -0.348 10.149 -2.447 22 HB3 MET 5 2HB MET 5 -1.142 9.544 -3.894 23 HG2 MET 5 1HG MET 5 -2.619 11.355 -3.982 24 HG3 MET 5 2HG MET 5 -2.273 11.826 -2.319 25 HE1 MET 5 3HE MET 5 -1.767 11.938 -5.782 26 HE2 MET 5 1HE MET 5 -1.143 13.584 -5.899 27 HE3 MET 5 2HE MET 5 -0.055 12.212 -6.111 28 H VAL 6 H VAL 6 -4.436 10.358 -2.451 29 HA VAL 6 HA VAL 6 -5.437 8.317 -4.322 30 HB VAL 6 HB VAL 6 -7.737 8.754 -3.343 31 HG11 VAL 6 1HG1 VAL 6 -6.245 7.509 -1.147 32 HG12 VAL 6 2HG1 VAL 6 -7.523 6.851 -2.171 33 HG13 VAL 6 3HG1 VAL 6 -5.856 6.880 -2.748 34 HG21 VAL 6 3HG2 VAL 6 -6.459 10.726 -1.939 35 HG22 VAL 6 1HG2 VAL 6 -8.044 10.057 -1.548 36 HG23 VAL 6 2HG2 VAL 6 -6.603 9.442 -0.738 37 H ASP 7 H ASP 7 -6.834 9.051 -5.941 38 HA ASP 7 HA ASP 7 -6.347 11.668 -6.885 39 HB2 ASP 7 1HB ASP 7 -7.149 9.407 -8.081 40 HB3 ASP 7 2HB ASP 7 -8.717 10.190 -7.902 41 H VAL 8 H VAL 8 -7.228 13.510 -6.244 42 HA VAL 8 HA VAL 8 -9.908 13.440 -5.017 43 HB VAL 8 HB VAL 8 -7.697 15.441 -4.529 44 HG11 VAL 8 1HG1 VAL 8 -9.897 16.450 -4.334 45 HG12 VAL 8 2HG1 VAL 8 -10.417 15.152 -3.257 46 HG13 VAL 8 3HG1 VAL 8 -9.160 16.277 -2.741 47 HG21 VAL 8 3HG2 VAL 8 -7.005 13.503 -3.432 48 HG22 VAL 8 1HG2 VAL 8 -7.866 14.401 -2.181 49 HG23 VAL 8 2HG2 VAL 8 -8.652 13.048 -2.995 50 H ILE 9 H ILE 9 -11.464 14.809 -5.742 51 HA ILE 9 HA ILE 9 -10.728 16.754 -7.821 52 HB ILE 9 HB ILE 9 -13.166 14.985 -7.999 53 HG12 ILE 9 1HG1 ILE 9 -10.560 14.770 -9.523 54 HG13 ILE 9 2HG1 ILE 9 -11.089 13.667 -8.257 55 HG21 ILE 9 1HG2 ILE 9 -13.830 16.463 -9.516 56 HG22 ILE 9 2HG2 ILE 9 -12.329 17.371 -9.344 57 HG23 ILE 9 3HG2 ILE 9 -12.426 16.038 -10.494 58 HD11 ILE 9 3HD1 ILE 9 -12.035 12.439 -9.831 59 HD12 ILE 9 1HD1 ILE 9 -13.185 13.749 -10.098 60 HD13 ILE 9 2HD1 ILE 9 -11.706 13.665 -11.055 61 H ILE 10 H ILE 10 -11.920 18.630 -7.865 62 HA ILE 10 HA ILE 10 -14.015 18.916 -5.816 63 HB ILE 10 HB ILE 10 -11.865 19.973 -5.105 64 HG12 ILE 10 1HG1 ILE 10 -13.660 22.285 -5.503 65 HG13 ILE 10 2HG1 ILE 10 -14.415 20.860 -4.798 66 HG21 ILE 10 1HG2 ILE 10 -12.394 21.827 -7.424 67 HG22 ILE 10 2HG2 ILE 10 -11.131 22.017 -6.209 68 HG23 ILE 10 3HG2 ILE 10 -11.084 20.651 -7.323 69 HD11 ILE 10 3HD1 ILE 10 -13.635 22.364 -3.075 70 HD12 ILE 10 1HD1 ILE 10 -12.727 20.853 -3.030 71 HD13 ILE 10 2HD1 ILE 10 -11.999 22.299 -3.731 72 H TYR 11 H TYR 11 -15.825 19.978 -6.417 73 HA TYR 11 HA TYR 11 -15.883 21.071 -9.152 74 HB2 TYR 11 1HB TYR 11 -17.598 19.187 -7.785 75 HB3 TYR 11 2HB TYR 11 -18.522 20.577 -8.343 76 HD1 TYR 11 HD1 TYR 11 -15.730 18.494 -9.719 77 HD2 TYR 11 HD2 TYR 11 -19.563 20.226 -10.362 78 HE1 TYR 11 HE1 TYR 11 -15.771 17.546 -11.989 79 HE2 TYR 11 HE2 TYR 11 -19.615 19.281 -12.633 80 HH TYR 11 HH TYR 11 -18.396 17.147 -13.767 81 H THR 12 H THR 12 -16.121 23.191 -9.287 82 HA THR 12 HA THR 12 -17.699 24.582 -7.231 83 HB THR 12 HB THR 12 -16.141 26.430 -7.175 84 HG1 THR 12 HG1 THR 12 -14.887 24.974 -9.240 85 HG21 THR 12 3HG2 THR 12 -15.756 24.193 -5.857 86 HG22 THR 12 1HG2 THR 12 -14.540 25.469 -5.822 87 HG23 THR 12 2HG2 THR 12 -14.326 24.076 -6.883 88 H ARG 13 H ARG 13 -17.800 27.068 -8.097 89 HA ARG 13 HA ARG 13 -18.245 27.195 -10.954 90 HB2 ARG 13 1HB ARG 13 -20.628 28.022 -10.578 91 HB3 ARG 13 2HB ARG 13 -20.356 26.291 -10.426 92 HG2 ARG 13 1HG ARG 13 -20.965 26.267 -8.280 93 HG3 ARG 13 2HG ARG 13 -20.064 27.739 -7.911 94 HD2 ARG 13 1HD ARG 13 -22.575 27.871 -7.642 95 HD3 ARG 13 2HD ARG 13 -21.834 29.121 -8.640 96 HE ARG 13 HE ARG 13 -22.737 26.883 -10.173 97 HH11 ARG 13 1HH1 ARG 13 -23.736 29.843 -8.637 98 HH12 ARG 13 2HH1 ARG 13 -25.095 30.081 -9.685 99 HH21 ARG 13 1HH2 ARG 13 -24.522 27.186 -11.560 100 HH22 ARG 13 2HH2 ARG 13 -25.541 28.569 -11.347 101 HA PRO 14 HA PRO 14 -17.228 31.424 -10.374 102 HB2 PRO 14 1HB PRO 14 -18.639 32.608 -12.367 103 HB3 PRO 14 2HB PRO 14 -17.205 31.618 -12.663 104 HG2 PRO 14 1HG PRO 14 -20.097 30.877 -12.886 105 HG3 PRO 14 2HG PRO 14 -18.755 30.489 -13.978 106 HD2 PRO 14 1HD PRO 14 -19.724 28.717 -12.174 107 HD3 PRO 14 2HD PRO 14 -18.016 28.752 -12.656 108 H GLY 15 H GLY 15 -17.948 32.463 -8.611 109 HA2 GLY 15 1HA GLY 15 -19.409 34.247 -7.852 110 HA3 GLY 15 2HA GLY 15 -20.742 33.412 -8.637 111 H CYS 16 H CYS 16 -18.811 31.140 -7.182 112 HA CYS 16 HA CYS 16 -20.662 30.948 -4.919 113 HB2 CYS 16 1HB CYS 16 -20.433 28.977 -6.390 114 HB3 CYS 16 2HB CYS 16 -18.716 28.903 -6.008 115 HA PRO 17 HA PRO 17 -17.214 32.606 -2.534 116 HB2 PRO 17 1HB PRO 17 -18.698 33.086 -0.313 117 HB3 PRO 17 2HB PRO 17 -18.682 34.169 -1.709 118 HG2 PRO 17 1HG PRO 17 -20.689 32.079 -0.957 119 HG3 PRO 17 2HG PRO 17 -20.959 33.720 -1.571 120 HD2 PRO 17 1HD PRO 17 -21.120 31.528 -3.152 121 HD3 PRO 17 2HD PRO 17 -20.565 33.102 -3.756 122 H TYR 18 H TYR 18 -19.662 30.446 -1.089 123 HA TYR 18 HA TYR 18 -18.058 29.411 0.945 124 HB2 TYR 18 1HB TYR 18 -20.533 28.504 -0.448 125 HB3 TYR 18 2HB TYR 18 -19.685 27.342 0.565 126 HD1 TYR 18 HD2 TYR 18 -20.255 31.005 1.004 127 HD2 TYR 18 HD1 TYR 18 -20.944 27.079 2.493 128 HE1 TYR 18 HE2 TYR 18 -21.339 31.957 2.996 129 HE2 TYR 18 HE1 TYR 18 -22.031 28.021 4.489 130 HH TYR 18 HH TYR 18 -23.206 30.147 5.114 131 H CYS 19 H CYS 19 -18.084 28.763 -2.441 132 HA CYS 19 HA CYS 19 -16.855 26.193 -2.353 133 HB2 CYS 19 1HB CYS 19 -17.069 28.264 -4.543 134 HB3 CYS 19 2HB CYS 19 -16.338 26.679 -4.775 135 H ALA 20 H ALA 20 -15.594 29.454 -3.030 136 HA ALA 20 HA ALA 20 -12.932 28.827 -3.420 137 HB1 ALA 20 1HB ALA 20 -12.921 31.021 -3.743 138 HB2 ALA 20 2HB ALA 20 -14.461 31.193 -2.901 139 HB3 ALA 20 3HB ALA 20 -12.950 31.247 -1.994 140 H ARG 21 H ARG 21 -14.598 29.521 -0.359 141 HA ARG 21 HA ARG 21 -12.420 29.431 1.354 142 HB2 ARG 21 1HB ARG 21 -15.338 28.943 1.643 143 HB3 ARG 21 2HB ARG 21 -14.299 28.395 2.951 144 HG2 ARG 21 1HG ARG 21 -14.387 31.206 1.877 145 HG3 ARG 21 2HG ARG 21 -15.210 30.643 3.333 146 HD2 ARG 21 1HD ARG 21 -12.728 29.803 3.882 147 HD3 ARG 21 2HD ARG 21 -12.340 31.180 2.851 148 HE ARG 21 HE ARG 21 -13.396 31.258 5.516 149 HH11 ARG 21 1HH1 ARG 21 -13.180 32.964 2.489 150 HH12 ARG 21 2HH1 ARG 21 -13.427 34.524 3.201 151 HH21 ARG 21 1HH2 ARG 21 -13.723 33.306 6.465 152 HH22 ARG 21 2HH2 ARG 21 -13.735 34.717 5.463 153 H ALA 22 H ALA 22 -14.450 26.773 0.180 154 HA ALA 22 HA ALA 22 -13.249 24.725 1.688 155 HB1 ALA 22 1HB ALA 22 -14.178 23.229 -0.142 156 HB2 ALA 22 2HB ALA 22 -15.337 24.246 0.715 157 HB3 ALA 22 3HB ALA 22 -14.783 24.705 -0.895 158 H LYS 23 H LYS 23 -12.695 25.699 -1.697 159 HA LYS 23 HA LYS 23 -10.667 23.917 -2.310 160 HB2 LYS 23 1HB LYS 23 -11.020 26.763 -3.267 161 HB3 LYS 23 2HB LYS 23 -9.955 25.579 -4.014 162 HG2 LYS 23 1HG LYS 23 -12.351 24.257 -3.954 163 HG3 LYS 23 2HG LYS 23 -12.838 25.927 -4.257 164 HD2 LYS 23 1HD LYS 23 -10.811 24.349 -5.843 165 HD3 LYS 23 2HD LYS 23 -12.458 24.731 -6.351 166 HE2 LYS 23 1HE LYS 23 -11.322 27.178 -5.637 167 HE3 LYS 23 2HE LYS 23 -10.058 26.326 -6.524 168 HZ1 LYS 23 3HZ LYS 23 -11.941 27.752 -7.712 169 HZ2 LYS 23 1HZ LYS 23 -12.729 26.254 -7.679 170 HZ3 LYS 23 2HZ LYS 23 -11.224 26.402 -8.438 171 H ALA 24 H ALA 24 -10.334 27.234 -1.052 172 HA ALA 24 HA ALA 24 -7.555 27.280 -0.852 173 HB1 ALA 24 1HB ALA 24 -7.802 29.264 0.240 174 HB2 ALA 24 2HB ALA 24 -9.417 29.120 -0.455 175 HB3 ALA 24 3HB ALA 24 -9.140 28.681 1.231 176 H LEU 25 H LEU 25 -9.983 26.244 1.519 177 HA LEU 25 HA LEU 25 -8.292 25.754 3.672 178 HB2 LEU 25 1HB LEU 25 -10.696 25.738 3.896 179 HB3 LEU 25 2HB LEU 25 -10.815 24.329 2.844 180 HG LEU 25 HG LEU 25 -9.763 22.941 4.526 181 HD11 LEU 25 1HD1 LEU 25 -8.240 24.561 5.490 182 HD12 LEU 25 2HD1 LEU 25 -9.241 23.840 6.751 183 HD13 LEU 25 3HD1 LEU 25 -9.595 25.466 6.166 184 HD21 LEU 25 3HD2 LEU 25 -12.031 24.635 5.559 185 HD22 LEU 25 1HD2 LEU 25 -11.488 23.138 6.316 186 HD23 LEU 25 2HD2 LEU 25 -12.144 23.110 4.679 187 H LEU 26 H LEU 26 -9.267 23.583 1.037 188 HA LEU 26 HA LEU 26 -7.812 21.340 1.968 189 HB2 LEU 26 1HB LEU 26 -9.236 22.112 -0.493 190 HB3 LEU 26 2HB LEU 26 -7.968 20.905 -0.694 191 HG LEU 26 HG LEU 26 -10.183 20.587 1.315 192 HD11 LEU 26 1HD1 LEU 26 -10.228 19.263 -1.361 193 HD12 LEU 26 2HD1 LEU 26 -10.900 20.881 -1.165 194 HD13 LEU 26 3HD1 LEU 26 -11.545 19.539 -0.221 195 HD21 LEU 26 3HD2 LEU 26 -9.544 18.317 1.358 196 HD22 LEU 26 1HD2 LEU 26 -8.043 19.238 1.445 197 HD23 LEU 26 2HD2 LEU 26 -8.533 18.494 -0.077 198 H ALA 27 H ALA 27 -7.004 24.048 -0.115 199 HA ALA 27 HA ALA 27 -4.512 22.976 -1.013 200 HB1 ALA 27 1HB ALA 27 -5.553 24.600 -2.394 201 HB2 ALA 27 2HB ALA 27 -5.664 25.756 -1.066 202 HB3 ALA 27 3HB ALA 27 -4.091 25.344 -1.747 203 H ARG 28 H ARG 28 -5.565 24.728 1.784 204 HA ARG 28 HA ARG 28 -3.275 25.995 2.641 205 HB2 ARG 28 1HB ARG 28 -5.476 26.114 3.775 206 HB3 ARG 28 2HB ARG 28 -5.229 24.482 4.381 207 HG2 ARG 28 1HG ARG 28 -3.077 25.424 5.429 208 HG3 ARG 28 2HG ARG 28 -3.810 27.003 5.137 209 HD2 ARG 28 1HD ARG 28 -5.727 26.408 6.474 210 HD3 ARG 28 2HD ARG 28 -5.124 24.763 6.669 211 HE ARG 28 HE ARG 28 -3.177 26.507 7.639 212 HH11 ARG 28 1HH1 ARG 28 -6.428 25.514 8.393 213 HH12 ARG 28 2HH1 ARG 28 -6.261 25.803 10.094 214 HH21 ARG 28 1HH2 ARG 28 -2.945 26.892 9.876 215 HH22 ARG 28 2HH2 ARG 28 -4.280 26.587 10.935 216 H LYS 29 H LYS 29 -4.238 22.636 3.335 217 HA LYS 29 HA LYS 29 -1.779 22.008 4.644 218 HB2 LYS 29 1HB LYS 29 -2.608 19.666 4.538 219 HB3 LYS 29 2HB LYS 29 -3.771 20.785 5.235 220 HG2 LYS 29 1HG LYS 29 -4.127 20.538 2.379 221 HG3 LYS 29 2HG LYS 29 -4.219 18.972 3.188 222 HD2 LYS 29 1HD LYS 29 -5.730 21.375 4.178 223 HD3 LYS 29 2HD LYS 29 -6.390 20.292 2.950 224 HE2 LYS 29 1HE LYS 29 -7.233 19.246 4.774 225 HE3 LYS 29 2HE LYS 29 -5.647 18.476 4.768 226 HZ1 LYS 29 3HZ LYS 29 -5.529 20.924 6.173 227 HZ2 LYS 29 1HZ LYS 29 -5.207 19.360 6.734 228 HZ3 LYS 29 2HZ LYS 29 -6.781 19.974 6.800 229 H GLY 30 H GLY 30 -2.736 22.222 1.381 230 HA2 GLY 30 1HA GLY 30 -1.136 22.168 -0.381 231 HA3 GLY 30 2HA GLY 30 -0.169 21.051 0.570 232 H ALA 31 H ALA 31 -3.490 20.328 0.555 233 HA ALA 31 HA ALA 31 -3.063 17.858 -0.799 234 HB1 ALA 31 1HB ALA 31 -5.638 19.183 0.044 235 HB2 ALA 31 2HB ALA 31 -5.468 17.509 -0.484 236 HB3 ALA 31 3HB ALA 31 -4.686 18.048 1.002 237 H GLU 32 H GLU 32 -2.880 17.638 -2.924 238 HA GLU 32 HA GLU 32 -3.804 19.653 -4.748 239 HB2 GLU 32 1HB GLU 32 -2.437 16.994 -5.088 240 HB3 GLU 32 2HB GLU 32 -3.016 17.910 -6.472 241 HG2 GLU 32 1HG GLU 32 -1.468 19.584 -6.189 242 HG3 GLU 32 2HG GLU 32 -1.256 19.244 -4.473 243 H PHE 33 H PHE 33 -5.654 19.721 -5.855 244 HA PHE 33 HA PHE 33 -7.246 17.287 -6.163 245 HB2 PHE 33 1HB PHE 33 -9.307 18.605 -5.519 246 HB3 PHE 33 2HB PHE 33 -8.215 18.219 -4.193 247 HD1 PHE 33 HD2 PHE 33 -9.162 20.920 -6.549 248 HD2 PHE 33 HD1 PHE 33 -7.344 19.902 -2.838 249 HE1 PHE 33 HE2 PHE 33 -9.048 23.304 -5.956 250 HE2 PHE 33 HE1 PHE 33 -7.227 22.286 -2.238 251 HZ PHE 33 HZ PHE 33 -8.079 23.990 -3.798 252 H ASN 34 H ASN 34 -8.509 17.229 -7.993 253 HA ASN 34 HA ASN 34 -7.762 18.987 -10.109 254 HB2 ASN 34 1HB ASN 34 -9.418 16.557 -9.811 255 HB3 ASN 34 2HB ASN 34 -9.877 17.628 -11.132 256 HD21 ASN 34 2HD2 ASN 34 -9.238 16.242 -12.736 257 HD22 ASN 34 1HD2 ASN 34 -7.581 15.869 -13.055 258 H GLU 35 H GLU 35 -8.548 20.955 -10.418 259 HA GLU 35 HA GLU 35 -11.067 21.746 -9.226 260 HB2 GLU 35 1HB GLU 35 -9.138 23.255 -9.106 261 HB3 GLU 35 2HB GLU 35 -9.076 23.328 -10.862 262 HG2 GLU 35 1HG GLU 35 -11.519 24.183 -10.647 263 HG3 GLU 35 2HG GLU 35 -11.051 24.542 -8.986 264 H ILE 36 H ILE 36 -12.913 21.392 -10.252 265 HA ILE 36 HA ILE 36 -12.994 21.776 -13.171 266 HB ILE 36 HB ILE 36 -14.510 19.668 -11.628 267 HG12 ILE 36 1HG1 ILE 36 -12.331 19.305 -13.691 268 HG13 ILE 36 2HG1 ILE 36 -12.051 19.243 -11.954 269 HG21 ILE 36 1HG2 ILE 36 -14.879 18.946 -14.143 270 HG22 ILE 36 2HG2 ILE 36 -15.944 20.104 -13.347 271 HG23 ILE 36 3HG2 ILE 36 -14.664 20.675 -14.418 272 HD11 ILE 36 3HD1 ILE 36 -13.730 17.376 -13.604 273 HD12 ILE 36 1HD1 ILE 36 -12.226 17.015 -12.756 274 HD13 ILE 36 2HD1 ILE 36 -13.691 17.370 -11.841 275 H ASP 37 H ASP 37 -14.829 22.739 -14.011 276 HA ASP 37 HA ASP 37 -16.444 24.198 -12.067 277 HB2 ASP 37 1HB ASP 37 -17.255 25.406 -14.162 278 HB3 ASP 37 2HB ASP 37 -15.557 25.616 -13.741 279 H ALA 38 H ALA 38 -18.714 24.221 -12.102 280 HA ALA 38 HA ALA 38 -19.921 21.871 -13.410 281 HB1 ALA 38 1HB ALA 38 -21.468 22.937 -11.208 282 HB2 ALA 38 2HB ALA 38 -20.879 21.297 -11.486 283 HB3 ALA 38 3HB ALA 38 -19.836 22.488 -10.709 284 H SER 39 H SER 39 -20.299 25.278 -12.637 285 HA SER 39 HA SER 39 -22.905 25.634 -13.627 286 HB2 SER 39 1HB SER 39 -21.710 27.295 -12.221 287 HB3 SER 39 2HB SER 39 -20.649 27.653 -13.583 288 HG SER 39 HG SER 39 -23.430 27.821 -13.920 289 H ALA 40 H ALA 40 -19.970 25.020 -15.234 290 HA ALA 40 HA ALA 40 -20.169 26.361 -17.631 291 HB1 ALA 40 1HB ALA 40 -18.442 25.083 -18.229 292 HB2 ALA 40 2HB ALA 40 -18.572 24.356 -16.627 293 HB3 ALA 40 3HB ALA 40 -19.361 23.593 -18.008 294 H THR 41 H THR 41 -22.020 23.627 -16.493 295 HA THR 41 HA THR 41 -23.783 23.898 -18.808 296 HB THR 41 HB THR 41 -23.839 21.184 -18.484 297 HG1 THR 41 HG1 THR 41 -21.095 21.949 -18.385 298 HG21 THR 41 3HG2 THR 41 -21.976 22.590 -20.392 299 HG22 THR 41 1HG2 THR 41 -23.728 22.573 -20.586 300 HG23 THR 41 2HG2 THR 41 -22.820 21.061 -20.635 301 HA PRO 42 HA PRO 42 -27.028 23.398 -15.895 302 HB2 PRO 42 1HB PRO 42 -28.904 22.097 -17.364 303 HB3 PRO 42 2HB PRO 42 -28.494 23.797 -17.618 304 HG2 PRO 42 1HG PRO 42 -27.578 21.382 -19.131 305 HG3 PRO 42 2HG PRO 42 -28.095 22.961 -19.751 306 HD2 PRO 42 1HD PRO 42 -25.487 22.267 -19.521 307 HD3 PRO 42 2HD PRO 42 -26.052 23.938 -19.319 308 H GLU 43 H GLU 43 -26.290 20.445 -17.735 309 HA GLU 43 HA GLU 43 -27.450 18.671 -15.844 310 HB2 GLU 43 1HB GLU 43 -26.750 18.332 -18.370 311 HB3 GLU 43 2HB GLU 43 -25.242 17.787 -17.649 312 HG2 GLU 43 1HG GLU 43 -26.286 16.000 -16.547 313 HG3 GLU 43 2HG GLU 43 -27.895 16.668 -16.816 314 H LEU 44 H LEU 44 -24.115 19.708 -16.469 315 HA LEU 44 HA LEU 44 -22.842 18.098 -14.578 316 HB2 LEU 44 1HB LEU 44 -22.205 20.636 -15.969 317 HB3 LEU 44 2HB LEU 44 -21.245 20.232 -14.548 318 HG LEU 44 HG LEU 44 -21.531 18.529 -17.023 319 HD11 LEU 44 1HD1 LEU 44 -19.690 19.486 -17.852 320 HD12 LEU 44 2HD1 LEU 44 -18.899 19.552 -16.278 321 HD13 LEU 44 3HD1 LEU 44 -20.048 20.808 -16.741 322 HD21 LEU 44 3HD2 LEU 44 -20.695 17.900 -14.359 323 HD22 LEU 44 1HD2 LEU 44 -19.319 17.778 -15.455 324 HD23 LEU 44 2HD2 LEU 44 -20.786 16.852 -15.776 325 H ARG 45 H ARG 45 -24.435 21.220 -14.245 326 HA ARG 45 HA ARG 45 -23.661 21.480 -11.468 327 HB2 ARG 45 1HB ARG 45 -23.908 23.446 -12.997 328 HB3 ARG 45 2HB ARG 45 -25.638 23.135 -13.043 329 HG2 ARG 45 1HG ARG 45 -25.331 23.261 -10.405 330 HG3 ARG 45 2HG ARG 45 -23.970 24.276 -10.885 331 HD2 ARG 45 1HD ARG 45 -25.861 25.697 -10.569 332 HD3 ARG 45 2HD ARG 45 -25.551 25.591 -12.301 333 HE ARG 45 HE ARG 45 -27.469 23.668 -11.403 334 HH11 ARG 45 1HH1 ARG 45 -27.026 26.984 -12.368 335 HH12 ARG 45 2HH1 ARG 45 -28.670 27.192 -12.874 336 HH21 ARG 45 1HH2 ARG 45 -29.636 23.931 -12.066 337 HH22 ARG 45 2HH2 ARG 45 -30.154 25.456 -12.701 338 H ALA 46 H ALA 46 -26.317 20.240 -13.302 339 HA ALA 46 HA ALA 46 -28.249 20.319 -11.191 340 HB1 ALA 46 1HB ALA 46 -28.125 19.050 -13.892 341 HB2 ALA 46 2HB ALA 46 -29.388 18.579 -12.755 342 HB3 ALA 46 3HB ALA 46 -29.248 20.259 -13.269 343 H GLU 47 H GLU 47 -26.199 17.774 -12.595 344 HA GLU 47 HA GLU 47 -27.088 15.702 -10.901 345 HB2 GLU 47 1HB GLU 47 -25.113 14.482 -11.648 346 HB3 GLU 47 2HB GLU 47 -25.890 15.287 -13.004 347 HG2 GLU 47 1HG GLU 47 -24.161 17.181 -12.463 348 HG3 GLU 47 2HG GLU 47 -23.281 15.858 -11.700 349 H MET 48 H MET 48 -24.634 18.173 -10.549 350 HA MET 48 HA MET 48 -23.402 17.010 -8.242 351 HB2 MET 48 1HB MET 48 -23.067 19.408 -9.876 352 HB3 MET 48 2HB MET 48 -22.804 19.708 -8.163 353 HG2 MET 48 1HG MET 48 -20.705 19.175 -9.106 354 HG3 MET 48 2HG MET 48 -21.214 17.780 -8.159 355 HE1 MET 48 3HE MET 48 -19.088 16.405 -11.047 356 HE2 MET 48 1HE MET 48 -19.085 17.150 -9.448 357 HE3 MET 48 2HE MET 48 -19.821 15.564 -9.680 358 H GLN 49 H GLN 49 -25.554 19.815 -8.708 359 HA GLN 49 HA GLN 49 -25.899 20.364 -5.969 360 HB2 GLN 49 1HB GLN 49 -27.591 21.876 -6.620 361 HB3 GLN 49 2HB GLN 49 -26.433 21.878 -7.943 362 HG2 GLN 49 1HG GLN 49 -27.860 20.416 -9.238 363 HG3 GLN 49 2HG GLN 49 -29.002 20.311 -7.899 364 HE21 GLN 49 2HE2 GLN 49 -27.267 23.104 -9.193 365 HE22 GLN 49 1HE2 GLN 49 -28.677 24.008 -9.617 366 H GLU 50 H GLU 50 -27.350 18.031 -8.074 367 HA GLU 50 HA GLU 50 -29.679 17.532 -6.508 368 HB2 GLU 50 1HB GLU 50 -29.707 16.911 -8.824 369 HB3 GLU 50 2HB GLU 50 -28.273 15.914 -8.632 370 HG2 GLU 50 1HG GLU 50 -30.428 14.664 -8.810 371 HG3 GLU 50 2HG GLU 50 -29.456 14.286 -7.389 372 H ARG 51 H ARG 51 -26.381 16.524 -6.338 373 HA ARG 51 HA ARG 51 -26.787 14.153 -4.813 374 HB2 ARG 51 1HB ARG 51 -24.407 15.912 -5.345 375 HB3 ARG 51 2HB ARG 51 -24.311 14.568 -4.215 376 HG2 ARG 51 1HG ARG 51 -24.858 13.000 -5.954 377 HG3 ARG 51 2HG ARG 51 -25.133 14.315 -7.099 378 HD2 ARG 51 1HD ARG 51 -22.932 14.622 -7.470 379 HD3 ARG 51 2HD ARG 51 -22.505 14.333 -5.784 380 HE ARG 51 HE ARG 51 -23.220 11.878 -6.747 381 HH11 ARG 51 1HH1 ARG 51 -20.902 14.311 -7.657 382 HH12 ARG 51 2HH1 ARG 51 -19.772 13.175 -8.314 383 HH21 ARG 51 1HH2 ARG 51 -21.740 10.372 -7.610 384 HH22 ARG 51 2HH2 ARG 51 -20.250 10.934 -8.288 385 H SER 52 H SER 52 -26.280 17.541 -4.026 386 HA SER 52 HA SER 52 -26.180 16.966 -1.174 387 HB2 SER 52 1HB SER 52 -26.136 19.611 -1.171 388 HB3 SER 52 2HB SER 52 -24.698 18.685 -1.604 389 HG SER 52 HG SER 52 -26.562 19.899 -3.365 390 H GLY 53 H GLY 53 -28.332 18.419 -3.556 391 HA2 GLY 53 1HA GLY 53 -30.677 18.438 -3.406 392 HA3 GLY 53 2HA GLY 53 -30.548 18.105 -1.685 393 H ARG 54 H ARG 54 -29.020 20.679 -3.586 394 HA ARG 54 HA ARG 54 -30.781 22.679 -2.452 395 HB2 ARG 54 1HB ARG 54 -27.837 22.581 -1.777 396 HB3 ARG 54 2HB ARG 54 -28.856 23.992 -1.524 397 HG2 ARG 54 1HG ARG 54 -30.250 22.724 0.020 398 HG3 ARG 54 2HG ARG 54 -29.253 21.293 -0.249 399 HD2 ARG 54 1HD ARG 54 -28.260 22.072 1.646 400 HD3 ARG 54 2HD ARG 54 -27.323 22.969 0.452 401 HE ARG 54 HE ARG 54 -29.620 24.431 1.244 402 HH11 ARG 54 1HH1 ARG 54 -26.443 23.491 2.312 403 HH12 ARG 54 2HH1 ARG 54 -26.237 24.871 3.340 404 HH21 ARG 54 1HH2 ARG 54 -29.362 26.252 2.594 405 HH22 ARG 54 2HH2 ARG 54 -27.899 26.440 3.500 406 H ASN 55 H ASN 55 -29.867 24.958 -3.127 407 HA ASN 55 HA ASN 55 -30.034 25.236 -5.832 408 HB2 ASN 55 1HB ASN 55 -28.514 27.372 -5.350 409 HB3 ASN 55 2HB ASN 55 -30.182 27.273 -4.793 410 HD21 ASN 55 2HD2 ASN 55 -26.973 27.717 -3.905 411 HD22 ASN 55 1HD2 ASN 55 -27.172 27.643 -2.191 412 H THR 56 H THR 56 -26.907 25.831 -4.251 413 HA THR 56 HA THR 56 -25.513 23.988 -5.958 414 HB THR 56 HB THR 56 -24.047 26.217 -6.611 415 HG1 THR 56 HG1 THR 56 -25.332 27.887 -6.757 416 HG21 THR 56 3HG2 THR 56 -24.478 25.602 -8.771 417 HG22 THR 56 1HG2 THR 56 -26.205 25.395 -8.485 418 HG23 THR 56 2HG2 THR 56 -25.068 24.160 -7.945 419 H PHE 57 H PHE 57 -23.684 23.327 -4.998 420 HA PHE 57 HA PHE 57 -22.301 25.073 -3.120 421 HB2 PHE 57 1HB PHE 57 -22.627 23.832 -1.228 422 HB3 PHE 57 2HB PHE 57 -24.143 23.463 -2.042 423 HD1 PHE 57 HD1 PHE 57 -23.669 21.446 -3.905 424 HD2 PHE 57 HD2 PHE 57 -21.742 22.022 -0.154 425 HE1 PHE 57 HE1 PHE 57 -23.134 19.046 -3.816 426 HE2 PHE 57 HE2 PHE 57 -21.202 19.623 -0.060 427 HZ PHE 57 HZ PHE 57 -21.897 18.132 -1.892 428 HA PRO 58 HA PRO 58 -18.658 23.133 -4.602 429 HB2 PRO 58 1HB PRO 58 -17.110 22.972 -2.377 430 HB3 PRO 58 2HB PRO 58 -17.460 24.499 -3.195 431 HG2 PRO 58 1HG PRO 58 -18.733 23.321 -0.755 432 HG3 PRO 58 2HG PRO 58 -18.234 24.995 -1.059 433 HD2 PRO 58 1HD PRO 58 -20.807 24.179 -1.273 434 HD3 PRO 58 2HD PRO 58 -20.127 25.468 -2.286 435 H GLN 59 H GLN 59 -18.058 21.111 -5.094 436 HA GLN 59 HA GLN 59 -18.901 18.947 -3.292 437 HB2 GLN 59 1HB GLN 59 -18.056 18.322 -6.062 438 HB3 GLN 59 2HB GLN 59 -19.369 17.648 -5.105 439 HG2 GLN 59 1HG GLN 59 -19.616 20.463 -6.000 440 HG3 GLN 59 2HG GLN 59 -19.798 19.192 -7.207 441 HE21 GLN 59 2HE2 GLN 59 -21.792 21.040 -6.273 442 HE22 GLN 59 1HE2 GLN 59 -23.067 20.098 -5.587 443 H ILE 60 H ILE 60 -17.431 17.681 -2.347 444 HA ILE 60 HA ILE 60 -14.644 17.854 -3.294 445 HB ILE 60 HB ILE 60 -15.706 17.720 -0.480 446 HG12 ILE 60 1HG1 ILE 60 -14.036 19.642 -0.259 447 HG13 ILE 60 2HG1 ILE 60 -13.931 19.617 -2.016 448 HG21 ILE 60 1HG2 ILE 60 -14.001 16.071 -0.512 449 HG22 ILE 60 2HG2 ILE 60 -12.938 17.093 -1.478 450 HG23 ILE 60 3HG2 ILE 60 -13.289 17.521 0.196 451 HD11 ILE 60 3HD1 ILE 60 -15.890 20.654 -2.261 452 HD12 ILE 60 1HD1 ILE 60 -16.662 19.717 -0.983 453 HD13 ILE 60 2HD1 ILE 60 -15.671 21.118 -0.574 454 H PHE 61 H PHE 61 -14.420 16.008 -4.436 455 HA PHE 61 HA PHE 61 -15.387 13.495 -3.287 456 HB2 PHE 61 1HB PHE 61 -14.130 13.893 -6.003 457 HB3 PHE 61 2HB PHE 61 -15.102 12.532 -5.456 458 HD1 PHE 61 HD1 PHE 61 -17.521 13.286 -4.565 459 HD2 PHE 61 HD2 PHE 61 -15.144 15.392 -7.399 460 HE1 PHE 61 HE1 PHE 61 -19.543 14.376 -5.446 461 HE2 PHE 61 HE2 PHE 61 -17.162 16.485 -8.285 462 HZ PHE 61 HZ PHE 61 -19.366 15.978 -7.308 463 H ILE 62 H ILE 62 -14.047 12.325 -2.099 464 HA ILE 62 HA ILE 62 -11.162 12.452 -2.690 465 HB ILE 62 HB ILE 62 -12.500 12.069 -0.011 466 HG12 ILE 62 1HG1 ILE 62 -10.737 14.284 -1.082 467 HG13 ILE 62 2HG1 ILE 62 -12.470 14.395 -0.795 468 HG21 ILE 62 1HG2 ILE 62 -10.204 12.035 0.897 469 HG22 ILE 62 2HG2 ILE 62 -10.548 10.657 -0.146 470 HG23 ILE 62 3HG2 ILE 62 -9.579 11.999 -0.752 471 HD11 ILE 62 3HD1 ILE 62 -10.237 14.251 1.184 472 HD12 ILE 62 1HD1 ILE 62 -11.543 15.429 1.054 473 HD13 ILE 62 2HD1 ILE 62 -11.881 13.798 1.636 474 H GLY 63 H GLY 63 -10.358 10.612 -3.441 475 HA2 GLY 63 1HA GLY 63 -10.004 8.368 -3.782 476 HA3 GLY 63 2HA GLY 63 -10.780 8.098 -2.228 477 H SER 64 H SER 64 -12.702 7.118 -2.205 478 HA SER 64 HA SER 64 -14.177 6.934 -4.751 479 HB2 SER 64 1HB SER 64 -13.645 4.828 -2.661 480 HB3 SER 64 2HB SER 64 -14.979 4.680 -3.805 481 HG SER 64 HG SER 64 -12.443 4.066 -4.192 482 H VAL 65 H VAL 65 -14.295 8.492 -2.000 483 HA VAL 65 HA VAL 65 -17.207 8.158 -1.679 484 HB VAL 65 HB VAL 65 -15.321 9.041 0.504 485 HG11 VAL 65 1HG1 VAL 65 -17.299 8.475 1.938 486 HG12 VAL 65 2HG1 VAL 65 -17.531 9.858 0.866 487 HG13 VAL 65 3HG1 VAL 65 -18.239 8.295 0.456 488 HG21 VAL 65 3HG2 VAL 65 -14.713 6.908 0.716 489 HG22 VAL 65 1HG2 VAL 65 -16.375 6.563 1.196 490 HG23 VAL 65 2HG2 VAL 65 -15.889 6.385 -0.490 491 H HIS 66 H HIS 66 -18.420 10.045 -1.242 492 HA HIS 66 HA HIS 66 -17.149 12.485 -2.253 493 HB2 HIS 66 1HB HIS 66 -19.116 11.873 -3.481 494 HB3 HIS 66 2HB HIS 66 -20.047 11.669 -2.000 495 HD1 HIS 66 HD1 HIS 66 -21.783 13.397 -2.907 496 HD2 HIS 66 HD2 HIS 66 -17.969 14.925 -2.292 497 HE1 HIS 66 HE1 HIS 66 -22.041 15.898 -2.979 498 H VAL 67 H VAL 67 -16.229 13.550 -0.592 499 HA VAL 67 HA VAL 67 -16.964 13.560 2.067 500 HB VAL 67 HB VAL 67 -15.690 15.810 0.504 501 HG11 VAL 67 1HG1 VAL 67 -14.729 16.190 2.938 502 HG12 VAL 67 2HG1 VAL 67 -16.255 16.913 2.422 503 HG13 VAL 67 3HG1 VAL 67 -16.259 15.444 3.398 504 HG21 VAL 67 3HG2 VAL 67 -14.134 14.168 0.285 505 HG22 VAL 67 1HG2 VAL 67 -13.680 14.741 1.890 506 HG23 VAL 67 2HG2 VAL 67 -14.684 13.301 1.719 507 H GLY 68 H GLY 68 -17.460 16.454 0.057 508 HA2 GLY 68 1HA GLY 68 -20.157 16.769 0.124 509 HA3 GLY 68 2HA GLY 68 -19.658 17.285 1.728 510 H GLY 69 H GLY 69 -19.296 19.386 1.948 511 HA2 GLY 69 1HA GLY 69 -18.115 20.871 -0.289 512 HA3 GLY 69 2HA GLY 69 -19.656 21.423 0.350 513 H CYS 70 H CYS 70 -19.009 23.363 1.171 514 HA CYS 70 HA CYS 70 -16.635 23.811 2.609 515 HB2 CYS 70 1HB CYS 70 -17.839 25.659 1.618 516 HB3 CYS 70 2HB CYS 70 -19.253 25.324 2.611 517 HG CYS 70 HG CYS 70 -18.461 27.395 4.002 518 H ASP 71 H ASP 71 -19.977 23.472 3.806 519 HA ASP 71 HA ASP 71 -19.464 23.579 6.516 520 HB2 ASP 71 1HB ASP 71 -21.545 22.007 4.994 521 HB3 ASP 71 2HB ASP 71 -21.531 22.135 6.751 522 H ASP 72 H ASP 72 -19.504 20.702 4.427 523 HA ASP 72 HA ASP 72 -18.874 18.834 6.427 524 HB2 ASP 72 1HB ASP 72 -18.243 18.717 3.469 525 HB3 ASP 72 2HB ASP 72 -18.231 17.347 4.576 526 H LEU 73 H LEU 73 -16.751 20.428 4.049 527 HA LEU 73 HA LEU 73 -14.340 19.332 4.885 528 HB2 LEU 73 1HB LEU 73 -14.946 20.886 2.880 529 HB3 LEU 73 2HB LEU 73 -14.490 22.178 3.989 530 HG LEU 73 HG LEU 73 -12.254 21.068 4.221 531 HD11 LEU 73 1HD1 LEU 73 -12.976 18.826 3.489 532 HD12 LEU 73 2HD1 LEU 73 -11.587 19.426 2.584 533 HD13 LEU 73 3HD1 LEU 73 -13.192 19.453 1.854 534 HD21 LEU 73 3HD2 LEU 73 -11.416 22.265 2.479 535 HD22 LEU 73 1HD2 LEU 73 -13.060 22.905 2.477 536 HD23 LEU 73 2HD2 LEU 73 -12.604 21.643 1.332 537 H TYR 74 H TYR 74 -16.131 22.086 6.144 538 HA TYR 74 HA TYR 74 -14.072 22.968 7.911 539 HB2 TYR 74 1HB TYR 74 -16.961 23.603 7.511 540 HB3 TYR 74 2HB TYR 74 -16.204 24.082 9.026 541 HD1 TYR 74 HD1 TYR 74 -14.701 24.021 5.624 542 HD2 TYR 74 HD2 TYR 74 -16.094 26.413 8.855 543 HE1 TYR 74 HE1 TYR 74 -13.787 26.024 4.527 544 HE2 TYR 74 HE2 TYR 74 -15.186 28.423 7.767 545 HH TYR 74 HH TYR 74 -13.827 29.169 6.118 546 H ALA 75 H ALA 75 -16.810 20.784 8.181 547 HA ALA 75 HA ALA 75 -16.610 20.464 11.019 548 HB1 ALA 75 1HB ALA 75 -18.041 18.350 10.400 549 HB2 ALA 75 2HB ALA 75 -18.730 19.971 10.304 550 HB3 ALA 75 3HB ALA 75 -18.169 19.164 8.840 551 H LEU 76 H LEU 76 -15.206 18.911 8.229 552 HA LEU 76 HA LEU 76 -14.256 16.611 9.668 553 HB2 LEU 76 1HB LEU 76 -13.917 17.697 6.912 554 HB3 LEU 76 2HB LEU 76 -12.791 16.472 7.495 555 HG LEU 76 HG LEU 76 -14.999 15.871 6.136 556 HD11 LEU 76 1HD1 LEU 76 -13.131 14.410 7.111 557 HD12 LEU 76 2HD1 LEU 76 -14.706 13.667 6.832 558 HD13 LEU 76 3HD1 LEU 76 -14.233 14.144 8.462 559 HD21 LEU 76 3HD2 LEU 76 -16.449 16.925 7.863 560 HD22 LEU 76 1HD2 LEU 76 -15.904 15.697 9.006 561 HD23 LEU 76 2HD2 LEU 76 -16.809 15.223 7.568 562 H GLU 77 H GLU 77 -12.732 19.517 8.287 563 HA GLU 77 HA GLU 77 -10.117 19.021 9.070 564 HB2 GLU 77 1HB GLU 77 -9.667 21.264 8.608 565 HB3 GLU 77 2HB GLU 77 -11.074 20.920 7.610 566 HG2 GLU 77 1HG GLU 77 -11.697 22.913 8.509 567 HG3 GLU 77 2HG GLU 77 -12.379 21.811 9.704 568 H ASP 78 H ASP 78 -12.835 20.176 10.929 569 HA ASP 78 HA ASP 78 -11.503 21.250 13.136 570 HB2 ASP 78 1HB ASP 78 -14.019 21.264 12.573 571 HB3 ASP 78 2HB ASP 78 -14.071 19.698 13.379 572 H GLU 79 H GLU 79 -12.363 17.918 12.364 573 HA GLU 79 HA GLU 79 -11.203 16.979 14.872 574 HB2 GLU 79 1HB GLU 79 -12.385 15.282 12.679 575 HB3 GLU 79 2HB GLU 79 -12.142 14.852 14.366 576 HG2 GLU 79 1HG GLU 79 -13.781 17.136 14.348 577 HG3 GLU 79 2HG GLU 79 -14.412 16.046 13.115 578 H GLY 80 H GLY 80 -10.389 17.358 11.556 579 HA2 GLY 80 1HA GLY 80 -8.272 17.147 10.609 580 HA3 GLY 80 2HA GLY 80 -7.728 16.333 12.068 581 H LYS 81 H LYS 81 -10.561 15.369 10.241 582 HA LYS 81 HA LYS 81 -9.471 12.714 9.926 583 HB2 LYS 81 1HB LYS 81 -12.051 13.586 8.683 584 HB3 LYS 81 2HB LYS 81 -11.624 12.032 9.388 585 HG2 LYS 81 1HG LYS 81 -12.224 14.584 10.865 586 HG3 LYS 81 2HG LYS 81 -13.219 13.128 10.801 587 HD2 LYS 81 1HD LYS 81 -10.457 13.326 12.001 588 HD3 LYS 81 2HD LYS 81 -11.973 13.277 12.905 589 HE2 LYS 81 1HE LYS 81 -10.737 11.112 11.220 590 HE3 LYS 81 2HE LYS 81 -11.092 11.079 12.946 591 HZ1 LYS 81 3HZ LYS 81 -12.825 9.878 12.072 592 HZ2 LYS 81 1HZ LYS 81 -12.934 10.817 10.669 593 HZ3 LYS 81 2HZ LYS 81 -13.514 11.422 12.139 594 H LEU 82 H LEU 82 -9.935 15.548 7.974 595 HA LEU 82 HA LEU 82 -9.951 14.531 5.411 596 HB2 LEU 82 1HB LEU 82 -9.618 17.031 6.601 597 HB3 LEU 82 2HB LEU 82 -8.187 16.811 5.595 598 HG LEU 82 HG LEU 82 -9.586 16.495 3.633 599 HD11 LEU 82 1HD1 LEU 82 -11.852 16.777 5.592 600 HD12 LEU 82 2HD1 LEU 82 -11.508 15.424 4.514 601 HD13 LEU 82 3HD1 LEU 82 -12.046 16.966 3.849 602 HD21 LEU 82 3HD2 LEU 82 -9.183 18.864 5.002 603 HD22 LEU 82 1HD2 LEU 82 -10.897 18.900 4.588 604 HD23 LEU 82 2HD2 LEU 82 -9.689 18.698 3.319 605 H ASP 83 H ASP 83 -7.217 14.987 7.589 606 HA ASP 83 HA ASP 83 -5.123 14.524 5.819 607 HB2 ASP 83 1HB ASP 83 -4.588 15.288 8.003 608 HB3 ASP 83 2HB ASP 83 -5.421 13.933 8.761 609 H SER 84 H SER 84 -7.066 12.211 7.672 610 HA SER 84 HA SER 84 -5.639 9.943 6.609 611 HB2 SER 84 1HB SER 84 -8.249 9.972 8.138 612 HB3 SER 84 2HB SER 84 -7.172 8.595 7.907 613 HG SER 84 HG SER 84 -6.745 10.925 9.450 614 H LEU 85 H LEU 85 -8.546 11.719 5.875 615 HA LEU 85 HA LEU 85 -9.762 9.773 4.208 616 HB2 LEU 85 1HB LEU 85 -10.132 12.644 4.789 617 HB3 LEU 85 2HB LEU 85 -10.739 12.083 3.233 618 HG LEU 85 HG LEU 85 -11.532 10.912 5.897 619 HD11 LEU 85 1HD1 LEU 85 -13.554 12.147 5.750 620 HD12 LEU 85 2HD1 LEU 85 -13.148 12.746 4.142 621 HD13 LEU 85 3HD1 LEU 85 -12.232 13.296 5.544 622 HD21 LEU 85 3HD2 LEU 85 -12.693 9.376 4.769 623 HD22 LEU 85 1HD2 LEU 85 -11.711 9.824 3.374 624 HD23 LEU 85 2HD2 LEU 85 -13.296 10.562 3.609 625 H LEU 86 H LEU 86 -7.498 12.411 3.617 626 HA LEU 86 HA LEU 86 -7.514 11.986 0.758 627 HB2 LEU 86 1HB LEU 86 -5.815 13.727 0.697 628 HB3 LEU 86 2HB LEU 86 -7.215 14.226 1.644 629 HG LEU 86 HG LEU 86 -5.654 13.318 3.625 630 HD11 LEU 86 1HD1 LEU 86 -3.910 12.926 1.682 631 HD12 LEU 86 2HD1 LEU 86 -3.408 13.489 3.276 632 HD13 LEU 86 3HD1 LEU 86 -3.586 14.638 1.950 633 HD21 LEU 86 3HD2 LEU 86 -5.350 16.055 2.399 634 HD22 LEU 86 1HD2 LEU 86 -5.108 15.608 4.088 635 HD23 LEU 86 2HD2 LEU 86 -6.723 15.548 3.383 636 H LYS 87 H LYS 87 -5.740 10.868 3.496 637 HA LYS 87 HA LYS 87 -3.444 9.991 1.983 638 HB2 LYS 87 1HB LYS 87 -4.298 9.909 4.830 639 HB3 LYS 87 2HB LYS 87 -3.149 8.688 4.301 640 HG2 LYS 87 1HG LYS 87 -1.919 10.799 3.292 641 HG3 LYS 87 2HG LYS 87 -2.816 11.622 4.570 642 HD2 LYS 87 1HD LYS 87 -0.960 11.070 5.763 643 HD3 LYS 87 2HD LYS 87 -1.870 9.575 5.993 644 HE2 LYS 87 1HE LYS 87 -0.684 8.606 4.049 645 HE3 LYS 87 2HE LYS 87 0.273 10.081 3.931 646 HZ1 LYS 87 3HZ LYS 87 1.482 8.389 5.124 647 HZ2 LYS 87 1HZ LYS 87 0.221 8.212 6.238 648 HZ3 LYS 87 2HZ LYS 87 1.099 9.656 6.178 649 H THR 88 H THR 88 -6.226 8.456 3.566 650 HA THR 88 HA THR 88 -5.503 5.866 2.458 651 HB THR 88 HB THR 88 -7.262 4.935 3.768 652 HG1 THR 88 HG1 THR 88 -8.163 7.432 4.685 653 HG21 THR 88 3HG2 THR 88 -6.749 5.762 6.029 654 HG22 THR 88 1HG2 THR 88 -5.964 7.176 5.325 655 HG23 THR 88 2HG2 THR 88 -5.292 5.568 5.055 656 H GLY 89 H GLY 89 -7.999 8.338 2.085 657 HA2 GLY 89 1HA GLY 89 -9.138 8.802 0.082 658 HA3 GLY 89 2HA GLY 89 -8.635 7.237 -0.540 659 H LYS 90 H LYS 90 -9.886 7.099 2.610 660 HA LYS 90 HA LYS 90 -12.628 6.645 1.720 661 HB2 LYS 90 1HB LYS 90 -10.991 4.546 3.156 662 HB3 LYS 90 2HB LYS 90 -12.719 4.445 2.845 663 HG2 LYS 90 1HG LYS 90 -12.010 3.239 1.076 664 HG3 LYS 90 2HG LYS 90 -11.868 4.839 0.346 665 HD2 LYS 90 1HD LYS 90 -9.590 4.821 0.420 666 HD3 LYS 90 2HD LYS 90 -9.538 3.828 1.879 667 HE2 LYS 90 1HE LYS 90 -8.697 2.668 -0.149 668 HE3 LYS 90 2HE LYS 90 -10.058 1.852 0.620 669 HZ1 LYS 90 3HZ LYS 90 -10.204 1.993 -1.839 670 HZ2 LYS 90 1HZ LYS 90 -10.329 3.675 -1.705 671 HZ3 LYS 90 2HZ LYS 90 -11.526 2.682 -1.040 672 H LEU 91 H LEU 91 -14.094 6.226 3.611 673 HA LEU 91 HA LEU 91 -13.183 7.815 5.915 674 HB2 LEU 91 1HB LEU 91 -14.965 8.966 4.970 675 HB3 LEU 91 2HB LEU 91 -15.841 7.486 4.585 676 HG LEU 91 HG LEU 91 -16.374 7.189 6.959 677 HD11 LEU 91 1HD1 LEU 91 -14.400 9.302 7.245 678 HD12 LEU 91 2HD1 LEU 91 -15.002 8.145 8.431 679 HD13 LEU 91 3HD1 LEU 91 -15.892 9.636 8.124 680 HD21 LEU 91 3HD2 LEU 91 -17.144 10.000 6.308 681 HD22 LEU 91 1HD2 LEU 91 -18.116 8.697 6.991 682 HD23 LEU 91 2HD2 LEU 91 -17.697 8.679 5.278 683 H ILE 92 H ILE 92 -12.886 6.770 7.761 684 HA ILE 92 HA ILE 92 -13.376 4.035 8.112 685 HB ILE 92 HB ILE 92 -12.839 4.384 10.474 686 HG12 ILE 92 1HG1 ILE 92 -12.140 6.940 10.893 687 HG13 ILE 92 2HG1 ILE 92 -13.457 7.203 9.756 688 HG21 ILE 92 1HG2 ILE 92 -10.805 4.237 9.554 689 HG22 ILE 92 2HG2 ILE 92 -11.209 5.361 8.257 690 HG23 ILE 92 3HG2 ILE 92 -10.710 5.976 9.833 691 HD11 ILE 92 3HD1 ILE 92 -13.554 6.563 12.548 692 HD12 ILE 92 1HD1 ILE 92 -14.851 7.063 11.464 693 HD13 ILE 92 2HD1 ILE 92 -14.430 5.356 11.606 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -2.525 1.049 3.396 2 HA2 GLY 1 1HA GLY 1 -3.060 -1.248 1.924 3 HA3 GLY 1 2HA GLY 1 -4.129 0.002 1.304 4 HA PRO 2 HA PRO 2 0.160 0.188 -0.677 5 HB2 PRO 2 1HB PRO 2 -0.594 -0.534 -3.183 6 HB3 PRO 2 2HB PRO 2 -0.081 -1.702 -1.960 7 HG2 PRO 2 1HG PRO 2 -2.849 -0.935 -2.804 8 HG3 PRO 2 2HG PRO 2 -2.187 -2.546 -2.469 9 HD2 PRO 2 1HD PRO 2 -3.699 -1.191 -0.677 10 HD3 PRO 2 2HD PRO 2 -2.400 -2.297 -0.187 11 H GLY 3 H GLY 3 -0.338 2.465 -0.218 12 HA2 GLY 3 1HA GLY 3 -0.293 4.099 -2.427 13 HA3 GLY 3 2HA GLY 3 -1.993 3.969 -2.002 14 H SER 4 H SER 4 -0.191 6.295 -1.947 15 HA SER 4 HA SER 4 -0.321 6.921 0.929 16 HB2 SER 4 1HB SER 4 1.580 8.244 0.747 17 HB3 SER 4 2HB SER 4 1.944 6.953 -0.399 18 HG SER 4 HG SER 4 1.152 9.607 -0.896 19 H MET 5 H MET 5 -1.364 7.784 -2.240 20 HA MET 5 HA MET 5 -2.996 9.931 -1.091 21 HB2 MET 5 1HB MET 5 -1.026 10.162 -3.309 22 HB3 MET 5 2HB MET 5 -2.543 11.035 -3.480 23 HG2 MET 5 1HG MET 5 -2.102 12.069 -1.249 24 HG3 MET 5 2HG MET 5 -0.506 11.322 -1.289 25 HE1 MET 5 3HE MET 5 -1.122 15.103 -1.622 26 HE2 MET 5 1HE MET 5 -0.479 13.827 -0.588 27 HE3 MET 5 2HE MET 5 0.600 14.723 -1.657 28 H VAL 6 H VAL 6 -4.802 10.563 -2.561 29 HA VAL 6 HA VAL 6 -5.612 8.395 -4.371 30 HB VAL 6 HB VAL 6 -7.959 8.637 -3.476 31 HG11 VAL 6 1HG1 VAL 6 -6.418 7.630 -1.184 32 HG12 VAL 6 2HG1 VAL 6 -7.625 6.823 -2.187 33 HG13 VAL 6 3HG1 VAL 6 -5.959 6.962 -2.750 34 HG21 VAL 6 3HG2 VAL 6 -7.140 9.471 -0.838 35 HG22 VAL 6 1HG2 VAL 6 -6.818 10.731 -2.030 36 HG23 VAL 6 2HG2 VAL 6 -8.448 10.081 -1.853 37 H ASP 7 H ASP 7 -6.967 8.999 -6.063 38 HA ASP 7 HA ASP 7 -6.636 11.574 -7.099 39 HB2 ASP 7 1HB ASP 7 -8.559 9.353 -7.774 40 HB3 ASP 7 2HB ASP 7 -8.544 10.875 -8.661 41 H VAL 8 H VAL 8 -7.406 13.376 -6.220 42 HA VAL 8 HA VAL 8 -10.092 13.342 -5.023 43 HB VAL 8 HB VAL 8 -7.933 15.425 -4.675 44 HG11 VAL 8 1HG1 VAL 8 -10.137 16.332 -4.315 45 HG12 VAL 8 2HG1 VAL 8 -10.561 14.979 -3.265 46 HG13 VAL 8 3HG1 VAL 8 -9.331 16.137 -2.759 47 HG21 VAL 8 3HG2 VAL 8 -8.460 14.001 -2.279 48 HG22 VAL 8 1HG2 VAL 8 -8.138 12.824 -3.552 49 HG23 VAL 8 2HG2 VAL 8 -6.957 14.085 -3.198 50 H ILE 9 H ILE 9 -11.681 14.688 -5.727 51 HA ILE 9 HA ILE 9 -11.030 16.554 -7.906 52 HB ILE 9 HB ILE 9 -13.501 14.825 -7.894 53 HG12 ILE 9 1HG1 ILE 9 -10.953 14.464 -9.487 54 HG13 ILE 9 2HG1 ILE 9 -11.486 13.430 -8.166 55 HG21 ILE 9 1HG2 ILE 9 -12.265 16.509 -10.069 56 HG22 ILE 9 2HG2 ILE 9 -13.770 15.597 -10.172 57 HG23 ILE 9 3HG2 ILE 9 -13.649 16.978 -9.082 58 HD11 ILE 9 3HD1 ILE 9 -13.616 13.533 -9.983 59 HD12 ILE 9 1HD1 ILE 9 -12.152 13.314 -10.942 60 HD13 ILE 9 2HD1 ILE 9 -12.538 12.178 -9.649 61 H ILE 10 H ILE 10 -12.220 18.434 -7.978 62 HA ILE 10 HA ILE 10 -14.246 18.817 -5.880 63 HB ILE 10 HB ILE 10 -12.127 19.811 -5.117 64 HG12 ILE 10 1HG1 ILE 10 -13.674 22.242 -5.741 65 HG13 ILE 10 2HG1 ILE 10 -14.616 20.926 -5.047 66 HG21 ILE 10 1HG2 ILE 10 -11.094 20.304 -7.238 67 HG22 ILE 10 2HG2 ILE 10 -12.359 21.470 -7.623 68 HG23 ILE 10 3HG2 ILE 10 -11.235 21.793 -6.303 69 HD11 ILE 10 3HD1 ILE 10 -12.250 22.334 -3.854 70 HD12 ILE 10 1HD1 ILE 10 -13.907 22.279 -3.254 71 HD13 ILE 10 2HD1 ILE 10 -12.903 20.829 -3.208 72 H TYR 11 H TYR 11 -15.993 20.030 -6.438 73 HA TYR 11 HA TYR 11 -16.032 21.101 -9.184 74 HB2 TYR 11 1HB TYR 11 -17.866 19.316 -7.767 75 HB3 TYR 11 2HB TYR 11 -18.678 20.690 -8.508 76 HD1 TYR 11 HD1 TYR 11 -15.911 18.363 -9.484 77 HD2 TYR 11 HD2 TYR 11 -19.578 20.226 -10.571 78 HE1 TYR 11 HE1 TYR 11 -15.836 17.224 -11.663 79 HE2 TYR 11 HE2 TYR 11 -19.515 19.091 -12.752 80 HH TYR 11 HH TYR 11 -17.822 16.520 -13.440 81 H THR 12 H THR 12 -16.255 23.223 -9.315 82 HA THR 12 HA THR 12 -17.877 24.633 -7.323 83 HB THR 12 HB THR 12 -16.257 26.341 -6.937 84 HG1 THR 12 HG1 THR 12 -14.490 24.988 -8.716 85 HG21 THR 12 3HG2 THR 12 -15.991 23.947 -5.875 86 HG22 THR 12 1HG2 THR 12 -14.780 25.198 -5.595 87 HG23 THR 12 2HG2 THR 12 -14.489 23.943 -6.799 88 H ARG 13 H ARG 13 -17.749 27.152 -8.089 89 HA ARG 13 HA ARG 13 -17.996 27.312 -10.991 90 HB2 ARG 13 1HB ARG 13 -20.218 27.845 -11.077 91 HB3 ARG 13 2HB ARG 13 -20.244 26.759 -9.695 92 HG2 ARG 13 1HG ARG 13 -19.819 29.024 -8.384 93 HG3 ARG 13 2HG ARG 13 -20.609 29.696 -9.812 94 HD2 ARG 13 1HD ARG 13 -21.864 27.327 -8.547 95 HD3 ARG 13 2HD ARG 13 -21.965 28.857 -7.676 96 HE ARG 13 HE ARG 13 -22.731 29.011 -10.451 97 HH11 ARG 13 1HH1 ARG 13 -23.794 28.419 -7.189 98 HH12 ARG 13 2HH1 ARG 13 -25.449 28.814 -7.518 99 HH21 ARG 13 1HH2 ARG 13 -24.907 29.533 -10.896 100 HH22 ARG 13 2HH2 ARG 13 -26.081 29.446 -9.627 101 HA PRO 14 HA PRO 14 -16.323 31.337 -10.490 102 HB2 PRO 14 1HB PRO 14 -17.540 32.708 -12.492 103 HB3 PRO 14 2HB PRO 14 -16.288 31.495 -12.781 104 HG2 PRO 14 1HG PRO 14 -19.263 31.230 -12.977 105 HG3 PRO 14 2HG PRO 14 -18.011 30.615 -14.071 106 HD2 PRO 14 1HD PRO 14 -19.240 29.048 -12.237 107 HD3 PRO 14 2HD PRO 14 -17.552 28.798 -12.729 108 H GLY 15 H GLY 15 -16.994 32.226 -8.578 109 HA2 GLY 15 1HA GLY 15 -18.055 34.263 -7.763 110 HA3 GLY 15 2HA GLY 15 -19.474 33.823 -8.702 111 H CYS 16 H CYS 16 -17.625 31.566 -6.751 112 HA CYS 16 HA CYS 16 -19.936 31.358 -4.933 113 HB2 CYS 16 1HB CYS 16 -19.531 29.389 -6.459 114 HB3 CYS 16 2HB CYS 16 -18.004 29.139 -5.618 115 HA PRO 17 HA PRO 17 -16.793 32.736 -2.028 116 HB2 PRO 17 1HB PRO 17 -18.541 33.181 0.001 117 HB3 PRO 17 2HB PRO 17 -18.306 34.319 -1.332 118 HG2 PRO 17 1HG PRO 17 -20.460 32.277 -0.941 119 HG3 PRO 17 2HG PRO 17 -20.595 33.950 -1.512 120 HD2 PRO 17 1HD PRO 17 -20.615 31.831 -3.197 121 HD3 PRO 17 2HD PRO 17 -19.936 33.406 -3.653 122 H TYR 18 H TYR 18 -19.479 30.619 -1.003 123 HA TYR 18 HA TYR 18 -18.144 29.434 1.155 124 HB2 TYR 18 1HB TYR 18 -20.279 28.134 -0.542 125 HB3 TYR 18 2HB TYR 18 -19.888 27.772 1.135 126 HD1 TYR 18 HD1 TYR 18 -19.758 30.339 2.428 127 HD2 TYR 18 HD2 TYR 18 -22.411 29.022 -0.627 128 HE1 TYR 18 HE1 TYR 18 -21.426 31.985 3.175 129 HE2 TYR 18 HE2 TYR 18 -24.085 30.665 0.111 130 HH TYR 18 HH TYR 18 -23.724 32.462 3.054 131 H CYS 19 H CYS 19 -18.063 28.766 -2.264 132 HA CYS 19 HA CYS 19 -16.879 26.182 -2.077 133 HB2 CYS 19 1HB CYS 19 -16.812 28.145 -4.378 134 HB3 CYS 19 2HB CYS 19 -16.447 26.425 -4.470 135 H ALA 20 H ALA 20 -15.569 29.422 -2.731 136 HA ALA 20 HA ALA 20 -12.913 28.783 -3.118 137 HB1 ALA 20 1HB ALA 20 -12.666 31.129 -1.813 138 HB2 ALA 20 2HB ALA 20 -13.170 30.989 -3.498 139 HB3 ALA 20 3HB ALA 20 -14.379 31.176 -2.228 140 H ARG 21 H ARG 21 -14.625 29.309 -0.059 141 HA ARG 21 HA ARG 21 -12.475 29.216 1.689 142 HB2 ARG 21 1HB ARG 21 -15.377 28.610 1.897 143 HB3 ARG 21 2HB ARG 21 -14.343 28.030 3.195 144 HG2 ARG 21 1HG ARG 21 -13.819 30.143 3.911 145 HG3 ARG 21 2HG ARG 21 -14.109 30.868 2.329 146 HD2 ARG 21 1HD ARG 21 -15.849 31.538 3.867 147 HD3 ARG 21 2HD ARG 21 -16.524 30.485 2.624 148 HE ARG 21 HE ARG 21 -15.930 28.780 4.646 149 HH11 ARG 21 1HH1 ARG 21 -17.759 31.736 4.442 150 HH12 ARG 21 2HH1 ARG 21 -18.850 31.301 5.715 151 HH21 ARG 21 1HH2 ARG 21 -17.361 28.197 6.324 152 HH22 ARG 21 2HH2 ARG 21 -18.623 29.289 6.786 153 H ALA 22 H ALA 22 -14.494 26.512 0.551 154 HA ALA 22 HA ALA 22 -13.151 24.472 1.915 155 HB1 ALA 22 1HB ALA 22 -14.552 23.071 0.845 156 HB2 ALA 22 2HB ALA 22 -15.355 24.566 0.363 157 HB3 ALA 22 3HB ALA 22 -14.224 23.779 -0.737 158 H LYS 23 H LYS 23 -12.729 25.604 -1.438 159 HA LYS 23 HA LYS 23 -10.672 23.889 -2.177 160 HB2 LYS 23 1HB LYS 23 -11.127 26.749 -3.048 161 HB3 LYS 23 2HB LYS 23 -10.092 25.592 -3.874 162 HG2 LYS 23 1HG LYS 23 -12.541 24.301 -3.654 163 HG3 LYS 23 2HG LYS 23 -12.947 25.972 -4.053 164 HD2 LYS 23 1HD LYS 23 -11.026 24.202 -5.566 165 HD3 LYS 23 2HD LYS 23 -12.663 24.627 -6.072 166 HE2 LYS 23 1HE LYS 23 -11.479 27.071 -5.569 167 HE3 LYS 23 2HE LYS 23 -10.184 26.130 -6.307 168 HZ1 LYS 23 3HZ LYS 23 -12.480 27.278 -7.521 169 HZ2 LYS 23 1HZ LYS 23 -12.424 25.613 -7.817 170 HZ3 LYS 23 2HZ LYS 23 -11.115 26.593 -8.249 171 H ALA 24 H ALA 24 -10.444 27.146 -0.762 172 HA ALA 24 HA ALA 24 -7.664 27.341 -0.691 173 HB1 ALA 24 1HB ALA 24 -9.032 28.552 1.598 174 HB2 ALA 24 2HB ALA 24 -8.025 29.292 0.353 175 HB3 ALA 24 3HB ALA 24 -9.727 28.964 0.030 176 H LEU 25 H LEU 25 -9.915 25.980 1.682 177 HA LEU 25 HA LEU 25 -8.080 25.470 3.727 178 HB2 LEU 25 1HB LEU 25 -10.770 25.074 3.334 179 HB3 LEU 25 2HB LEU 25 -10.145 23.429 3.424 180 HG LEU 25 HG LEU 25 -10.050 25.574 5.531 181 HD11 LEU 25 1HD1 LEU 25 -10.934 22.773 5.976 182 HD12 LEU 25 2HD1 LEU 25 -12.002 23.855 5.082 183 HD13 LEU 25 3HD1 LEU 25 -11.495 24.271 6.719 184 HD21 LEU 25 3HD2 LEU 25 -8.777 23.904 6.883 185 HD22 LEU 25 1HD2 LEU 25 -7.866 24.606 5.546 186 HD23 LEU 25 2HD2 LEU 25 -8.527 22.977 5.403 187 H LEU 26 H LEU 26 -9.233 23.298 1.148 188 HA LEU 26 HA LEU 26 -7.625 21.106 1.813 189 HB2 LEU 26 1HB LEU 26 -9.092 22.006 -0.601 190 HB3 LEU 26 2HB LEU 26 -7.876 20.748 -0.815 191 HG LEU 26 HG LEU 26 -10.062 20.473 1.223 192 HD11 LEU 26 1HD1 LEU 26 -11.545 19.590 -0.305 193 HD12 LEU 26 2HD1 LEU 26 -10.294 19.298 -1.512 194 HD13 LEU 26 3HD1 LEU 26 -10.858 20.941 -1.206 195 HD21 LEU 26 3HD2 LEU 26 -9.526 18.206 1.204 196 HD22 LEU 26 1HD2 LEU 26 -7.956 19.005 1.111 197 HD23 LEU 26 2HD2 LEU 26 -8.684 18.320 -0.342 198 H ALA 27 H ALA 27 -6.989 23.930 -0.189 199 HA ALA 27 HA ALA 27 -4.485 22.984 -1.190 200 HB1 ALA 27 1HB ALA 27 -5.718 25.731 -1.120 201 HB2 ALA 27 2HB ALA 27 -4.181 25.362 -1.902 202 HB3 ALA 27 3HB ALA 27 -5.667 24.608 -2.479 203 H ARG 28 H ARG 28 -5.521 24.623 1.681 204 HA ARG 28 HA ARG 28 -3.247 25.953 2.497 205 HB2 ARG 28 1HB ARG 28 -5.614 25.619 3.622 206 HB3 ARG 28 2HB ARG 28 -4.772 24.357 4.510 207 HG2 ARG 28 1HG ARG 28 -3.335 25.871 5.543 208 HG3 ARG 28 2HG ARG 28 -3.675 27.138 4.362 209 HD2 ARG 28 1HD ARG 28 -5.836 26.061 6.137 210 HD3 ARG 28 2HD ARG 28 -4.729 27.307 6.713 211 HE ARG 28 HE ARG 28 -6.903 27.651 4.898 212 HH11 ARG 28 1HH1 ARG 28 -3.738 28.829 5.743 213 HH12 ARG 28 2HH1 ARG 28 -4.011 30.412 5.093 214 HH21 ARG 28 1HH2 ARG 28 -7.275 29.731 4.040 215 HH22 ARG 28 2HH2 ARG 28 -6.024 30.924 4.126 216 H LYS 29 H LYS 29 -4.094 22.555 3.158 217 HA LYS 29 HA LYS 29 -1.578 21.980 4.385 218 HB2 LYS 29 1HB LYS 29 -2.343 19.715 4.516 219 HB3 LYS 29 2HB LYS 29 -3.715 20.759 4.863 220 HG2 LYS 29 1HG LYS 29 -4.025 20.449 2.209 221 HG3 LYS 29 2HG LYS 29 -3.256 18.913 2.617 222 HD2 LYS 29 1HD LYS 29 -5.730 20.049 3.922 223 HD3 LYS 29 2HD LYS 29 -5.699 18.756 2.719 224 HE2 LYS 29 1HE LYS 29 -5.768 17.493 4.614 225 HE3 LYS 29 2HE LYS 29 -4.021 17.680 4.464 226 HZ1 LYS 29 3HZ LYS 29 -5.567 18.363 6.628 227 HZ2 LYS 29 1HZ LYS 29 -5.170 19.842 5.909 228 HZ3 LYS 29 2HZ LYS 29 -3.945 18.774 6.376 229 H GLY 30 H GLY 30 -2.641 22.214 1.158 230 HA2 GLY 30 1HA GLY 30 -1.084 22.232 -0.647 231 HA3 GLY 30 2HA GLY 30 -0.076 21.107 0.252 232 H ALA 31 H ALA 31 -3.323 20.240 0.411 233 HA ALA 31 HA ALA 31 -2.910 17.851 -1.062 234 HB1 ALA 31 1HB ALA 31 -5.280 17.415 -0.640 235 HB2 ALA 31 2HB ALA 31 -4.452 17.952 0.822 236 HB3 ALA 31 3HB ALA 31 -5.484 19.071 -0.069 237 H GLU 32 H GLU 32 -2.814 17.705 -3.199 238 HA GLU 32 HA GLU 32 -3.869 19.739 -4.920 239 HB2 GLU 32 1HB GLU 32 -2.878 18.532 -6.710 240 HB3 GLU 32 2HB GLU 32 -1.772 18.399 -5.350 241 HG2 GLU 32 1HG GLU 32 -2.740 16.165 -4.859 242 HG3 GLU 32 2HG GLU 32 -3.689 16.303 -6.338 243 H PHE 33 H PHE 33 -5.664 19.708 -6.182 244 HA PHE 33 HA PHE 33 -7.271 17.288 -6.365 245 HB2 PHE 33 1HB PHE 33 -9.329 18.582 -5.663 246 HB3 PHE 33 2HB PHE 33 -8.198 18.204 -4.368 247 HD1 PHE 33 HD1 PHE 33 -9.195 20.903 -6.712 248 HD2 PHE 33 HD2 PHE 33 -7.351 19.891 -3.012 249 HE1 PHE 33 HE1 PHE 33 -9.092 23.287 -6.115 250 HE2 PHE 33 HE2 PHE 33 -7.245 22.274 -2.409 251 HZ PHE 33 HZ PHE 33 -8.117 23.976 -3.961 252 H ASN 34 H ASN 34 -8.617 17.231 -8.144 253 HA ASN 34 HA ASN 34 -7.943 18.999 -10.283 254 HB2 ASN 34 1HB ASN 34 -9.422 16.497 -9.949 255 HB3 ASN 34 2HB ASN 34 -10.145 17.569 -11.145 256 HD21 ASN 34 2HD2 ASN 34 -9.607 16.152 -12.811 257 HD22 ASN 34 1HD2 ASN 34 -7.987 16.002 -13.393 258 H GLU 35 H GLU 35 -8.753 20.969 -10.517 259 HA GLU 35 HA GLU 35 -11.271 21.695 -9.281 260 HB2 GLU 35 1HB GLU 35 -9.356 23.226 -9.148 261 HB3 GLU 35 2HB GLU 35 -9.326 23.347 -10.902 262 HG2 GLU 35 1HG GLU 35 -11.769 24.166 -10.638 263 HG3 GLU 35 2HG GLU 35 -11.301 24.468 -8.965 264 H ILE 36 H ILE 36 -13.102 21.251 -10.307 265 HA ILE 36 HA ILE 36 -13.207 21.672 -13.223 266 HB ILE 36 HB ILE 36 -14.746 19.623 -11.625 267 HG12 ILE 36 1HG1 ILE 36 -12.671 19.164 -13.771 268 HG13 ILE 36 2HG1 ILE 36 -12.291 19.167 -12.052 269 HG21 ILE 36 1HG2 ILE 36 -14.993 20.643 -14.395 270 HG22 ILE 36 2HG2 ILE 36 -15.178 18.907 -14.151 271 HG23 ILE 36 3HG2 ILE 36 -16.230 20.033 -13.295 272 HD11 ILE 36 3HD1 ILE 36 -12.562 16.910 -12.865 273 HD12 ILE 36 1HD1 ILE 36 -13.843 17.305 -11.720 274 HD13 ILE 36 2HD1 ILE 36 -14.181 17.291 -13.451 275 H ASP 37 H ASP 37 -15.004 22.689 -14.067 276 HA ASP 37 HA ASP 37 -16.517 24.290 -12.178 277 HB2 ASP 37 1HB ASP 37 -16.789 24.345 -15.179 278 HB3 ASP 37 2HB ASP 37 -17.159 25.625 -14.028 279 H ALA 38 H ALA 38 -18.778 24.359 -12.057 280 HA ALA 38 HA ALA 38 -20.124 21.950 -13.096 281 HB1 ALA 38 1HB ALA 38 -19.783 22.258 -10.555 282 HB2 ALA 38 2HB ALA 38 -21.083 23.444 -10.686 283 HB3 ALA 38 3HB ALA 38 -21.370 21.766 -11.148 284 H SER 39 H SER 39 -20.466 25.398 -12.409 285 HA SER 39 HA SER 39 -23.108 25.648 -13.407 286 HB2 SER 39 1HB SER 39 -21.961 27.289 -11.882 287 HB3 SER 39 2HB SER 39 -21.006 27.820 -13.266 288 HG SER 39 HG SER 39 -23.577 28.416 -12.598 289 H ALA 40 H ALA 40 -20.153 25.145 -14.953 290 HA ALA 40 HA ALA 40 -20.262 26.621 -17.278 291 HB1 ALA 40 1HB ALA 40 -19.458 23.736 -17.335 292 HB2 ALA 40 2HB ALA 40 -18.761 25.104 -18.203 293 HB3 ALA 40 3HB ALA 40 -18.495 24.932 -16.468 294 H THR 41 H THR 41 -22.158 23.831 -16.358 295 HA THR 41 HA THR 41 -23.883 24.273 -18.669 296 HB THR 41 HB THR 41 -23.920 21.558 -18.646 297 HG1 THR 41 HG1 THR 41 -21.881 20.778 -18.371 298 HG21 THR 41 3HG2 THR 41 -21.912 23.049 -20.313 299 HG22 THR 41 1HG2 THR 41 -23.647 23.250 -20.551 300 HG23 THR 41 2HG2 THR 41 -22.906 21.664 -20.762 301 HA PRO 42 HA PRO 42 -27.157 23.428 -15.871 302 HB2 PRO 42 1HB PRO 42 -28.969 22.186 -17.465 303 HB3 PRO 42 2HB PRO 42 -28.612 23.913 -17.582 304 HG2 PRO 42 1HG PRO 42 -27.598 21.651 -19.261 305 HG3 PRO 42 2HG PRO 42 -28.157 23.257 -19.766 306 HD2 PRO 42 1HD PRO 42 -25.532 22.630 -19.548 307 HD3 PRO 42 2HD PRO 42 -26.154 24.262 -19.228 308 H GLU 43 H GLU 43 -26.353 20.643 -17.938 309 HA GLU 43 HA GLU 43 -27.467 18.694 -16.213 310 HB2 GLU 43 1HB GLU 43 -25.607 18.644 -18.550 311 HB3 GLU 43 2HB GLU 43 -25.750 17.201 -17.556 312 HG2 GLU 43 1HG GLU 43 -27.933 16.831 -18.160 313 HG3 GLU 43 2HG GLU 43 -28.221 18.523 -18.564 314 H LEU 44 H LEU 44 -24.178 19.943 -16.625 315 HA LEU 44 HA LEU 44 -22.908 18.209 -14.816 316 HB2 LEU 44 1HB LEU 44 -22.281 20.827 -16.056 317 HB3 LEU 44 2HB LEU 44 -21.352 20.368 -14.630 318 HG LEU 44 HG LEU 44 -21.538 18.787 -17.195 319 HD11 LEU 44 1HD1 LEU 44 -18.968 19.876 -16.281 320 HD12 LEU 44 2HD1 LEU 44 -20.140 21.073 -16.831 321 HD13 LEU 44 3HD1 LEU 44 -19.646 19.765 -17.905 322 HD21 LEU 44 3HD2 LEU 44 -20.979 17.090 -15.840 323 HD22 LEU 44 1HD2 LEU 44 -20.540 18.165 -14.512 324 HD23 LEU 44 2HD2 LEU 44 -19.388 17.851 -15.810 325 H ARG 45 H ARG 45 -24.643 21.224 -14.358 326 HA ARG 45 HA ARG 45 -23.902 21.414 -11.567 327 HB2 ARG 45 1HB ARG 45 -24.180 23.483 -12.753 328 HB3 ARG 45 2HB ARG 45 -25.786 23.017 -13.297 329 HG2 ARG 45 1HG ARG 45 -26.679 23.230 -11.105 330 HG3 ARG 45 2HG ARG 45 -25.070 23.414 -10.404 331 HD2 ARG 45 1HD ARG 45 -25.018 25.602 -10.849 332 HD3 ARG 45 2HD ARG 45 -25.609 25.362 -12.493 333 HE ARG 45 HE ARG 45 -27.128 26.210 -10.255 334 HH11 ARG 45 1HH1 ARG 45 -27.316 24.266 -13.137 335 HH12 ARG 45 2HH1 ARG 45 -29.027 24.468 -13.318 336 HH21 ARG 45 1HH2 ARG 45 -29.381 26.484 -10.483 337 HH22 ARG 45 2HH2 ARG 45 -30.201 25.731 -11.809 338 H ALA 46 H ALA 46 -26.448 20.062 -13.467 339 HA ALA 46 HA ALA 46 -28.405 19.943 -11.381 340 HB1 ALA 46 1HB ALA 46 -29.231 19.928 -13.596 341 HB2 ALA 46 2HB ALA 46 -28.182 18.586 -14.056 342 HB3 ALA 46 3HB ALA 46 -29.528 18.314 -12.950 343 H GLU 47 H GLU 47 -26.192 17.574 -12.848 344 HA GLU 47 HA GLU 47 -26.943 15.382 -11.270 345 HB2 GLU 47 1HB GLU 47 -24.806 14.388 -11.940 346 HB3 GLU 47 2HB GLU 47 -25.614 15.143 -13.307 347 HG2 GLU 47 1HG GLU 47 -24.137 17.188 -12.743 348 HG3 GLU 47 2HG GLU 47 -23.168 16.025 -11.839 349 H MET 48 H MET 48 -24.565 17.934 -10.742 350 HA MET 48 HA MET 48 -23.464 16.787 -8.376 351 HB2 MET 48 1HB MET 48 -23.401 19.637 -9.385 352 HB3 MET 48 2HB MET 48 -22.431 19.015 -8.057 353 HG2 MET 48 1HG MET 48 -22.305 17.900 -10.842 354 HG3 MET 48 2HG MET 48 -21.273 19.211 -10.276 355 HE1 MET 48 3HE MET 48 -21.071 15.304 -10.752 356 HE2 MET 48 1HE MET 48 -21.239 14.826 -9.063 357 HE3 MET 48 2HE MET 48 -22.526 15.736 -9.853 358 H GLN 49 H GLN 49 -25.684 19.526 -8.915 359 HA GLN 49 HA GLN 49 -26.210 20.002 -6.192 360 HB2 GLN 49 1HB GLN 49 -27.824 21.525 -6.904 361 HB3 GLN 49 2HB GLN 49 -26.696 21.486 -8.252 362 HG2 GLN 49 1HG GLN 49 -28.503 21.187 -9.515 363 HG3 GLN 49 2HG GLN 49 -28.455 19.522 -8.938 364 HE21 GLN 49 2HE2 GLN 49 -30.058 22.574 -8.757 365 HE22 GLN 49 1HE2 GLN 49 -31.407 22.051 -7.814 366 H GLU 50 H GLU 50 -27.311 17.566 -8.331 367 HA GLU 50 HA GLU 50 -29.791 16.984 -7.059 368 HB2 GLU 50 1HB GLU 50 -29.465 16.243 -9.314 369 HB3 GLU 50 2HB GLU 50 -28.009 15.361 -8.874 370 HG2 GLU 50 1HG GLU 50 -29.282 13.757 -7.631 371 HG3 GLU 50 2HG GLU 50 -30.759 14.691 -7.859 372 H ARG 51 H ARG 51 -26.494 16.213 -6.387 373 HA ARG 51 HA ARG 51 -27.111 13.978 -4.661 374 HB2 ARG 51 1HB ARG 51 -24.512 15.485 -5.001 375 HB3 ARG 51 2HB ARG 51 -24.718 13.936 -4.194 376 HG2 ARG 51 1HG ARG 51 -25.295 12.868 -6.262 377 HG3 ARG 51 2HG ARG 51 -25.301 14.418 -7.106 378 HD2 ARG 51 1HD ARG 51 -23.186 13.914 -7.644 379 HD3 ARG 51 2HD ARG 51 -22.811 14.391 -5.989 380 HE ARG 51 HE ARG 51 -22.335 12.209 -5.520 381 HH11 ARG 51 1HH1 ARG 51 -24.259 12.338 -8.419 382 HH12 ARG 51 2HH1 ARG 51 -24.112 10.643 -8.748 383 HH21 ARG 51 1HH2 ARG 51 -22.135 9.977 -5.942 384 HH22 ARG 51 2HH2 ARG 51 -22.904 9.301 -7.338 385 H SER 52 H SER 52 -26.402 17.398 -4.348 386 HA SER 52 HA SER 52 -26.247 17.268 -1.460 387 HB2 SER 52 1HB SER 52 -25.166 19.219 -1.682 388 HB3 SER 52 2HB SER 52 -25.357 19.073 -3.429 389 HG SER 52 HG SER 52 -26.265 21.004 -2.157 390 H GLY 53 H GLY 53 -28.547 18.284 -3.928 391 HA2 GLY 53 1HA GLY 53 -30.864 18.376 -3.734 392 HA3 GLY 53 2HA GLY 53 -30.704 18.081 -2.008 393 H ARG 54 H ARG 54 -29.176 20.638 -3.917 394 HA ARG 54 HA ARG 54 -30.989 22.640 -2.868 395 HB2 ARG 54 1HB ARG 54 -28.068 22.575 -2.098 396 HB3 ARG 54 2HB ARG 54 -29.105 23.980 -1.896 397 HG2 ARG 54 1HG ARG 54 -30.541 22.713 -0.385 398 HG3 ARG 54 2HG ARG 54 -29.512 21.294 -0.596 399 HD2 ARG 54 1HD ARG 54 -28.636 22.139 1.341 400 HD3 ARG 54 2HD ARG 54 -27.625 22.968 0.158 401 HE ARG 54 HE ARG 54 -29.696 24.677 0.534 402 HH11 ARG 54 1HH1 ARG 54 -27.468 23.076 2.677 403 HH12 ARG 54 2HH1 ARG 54 -27.497 24.339 3.862 404 HH21 ARG 54 1HH2 ARG 54 -29.743 26.347 2.087 405 HH22 ARG 54 2HH2 ARG 54 -28.792 26.199 3.526 406 H ASN 55 H ASN 55 -30.065 24.916 -3.543 407 HA ASN 55 HA ASN 55 -30.152 25.163 -6.252 408 HB2 ASN 55 1HB ASN 55 -28.653 27.307 -5.759 409 HB3 ASN 55 2HB ASN 55 -30.332 27.211 -5.235 410 HD21 ASN 55 2HD2 ASN 55 -27.129 27.638 -4.285 411 HD22 ASN 55 1HD2 ASN 55 -27.369 27.596 -2.575 412 H THR 56 H THR 56 -27.073 25.737 -4.567 413 HA THR 56 HA THR 56 -25.626 23.882 -6.199 414 HB THR 56 HB THR 56 -24.400 26.462 -6.703 415 HG1 THR 56 HG1 THR 56 -26.179 26.800 -8.421 416 HG21 THR 56 3HG2 THR 56 -24.285 24.020 -7.807 417 HG22 THR 56 1HG2 THR 56 -23.848 25.488 -8.680 418 HG23 THR 56 2HG2 THR 56 -25.446 24.775 -8.899 419 H PHE 57 H PHE 57 -23.810 23.270 -5.183 420 HA PHE 57 HA PHE 57 -22.495 25.083 -3.319 421 HB2 PHE 57 1HB PHE 57 -22.868 23.899 -1.407 422 HB3 PHE 57 2HB PHE 57 -24.339 23.444 -2.261 423 HD1 PHE 57 HD2 PHE 57 -23.758 21.380 -4.017 424 HD2 PHE 57 HD1 PHE 57 -21.915 22.169 -0.262 425 HE1 PHE 57 HE2 PHE 57 -23.134 19.008 -3.828 426 HE2 PHE 57 HE1 PHE 57 -21.287 19.798 -0.068 427 HZ PHE 57 HZ PHE 57 -21.898 18.214 -1.852 428 HA PRO 58 HA PRO 58 -18.785 23.164 -4.655 429 HB2 PRO 58 1HB PRO 58 -17.302 23.046 -2.384 430 HB3 PRO 58 2HB PRO 58 -17.645 24.560 -3.230 431 HG2 PRO 58 1HG PRO 58 -18.976 23.396 -0.814 432 HG3 PRO 58 2HG PRO 58 -18.487 25.073 -1.124 433 HD2 PRO 58 1HD PRO 58 -21.044 24.225 -1.404 434 HD3 PRO 58 2HD PRO 58 -20.348 25.509 -2.413 435 H GLN 59 H GLN 59 -18.224 21.135 -5.139 436 HA GLN 59 HA GLN 59 -19.061 18.988 -3.316 437 HB2 GLN 59 1HB GLN 59 -18.166 18.337 -6.064 438 HB3 GLN 59 2HB GLN 59 -19.491 17.666 -5.122 439 HG2 GLN 59 1HG GLN 59 -19.754 20.469 -6.035 440 HG3 GLN 59 2HG GLN 59 -19.878 19.199 -7.251 441 HE21 GLN 59 2HE2 GLN 59 -21.916 21.033 -6.303 442 HE22 GLN 59 1HE2 GLN 59 -23.200 20.057 -5.683 443 H ILE 60 H ILE 60 -17.600 17.737 -2.337 444 HA ILE 60 HA ILE 60 -14.804 17.891 -3.258 445 HB ILE 60 HB ILE 60 -15.882 17.887 -0.448 446 HG12 ILE 60 1HG1 ILE 60 -14.220 19.805 -0.288 447 HG13 ILE 60 2HG1 ILE 60 -14.051 19.688 -2.036 448 HG21 ILE 60 1HG2 ILE 60 -14.198 16.223 -0.384 449 HG22 ILE 60 2HG2 ILE 60 -13.118 17.178 -1.398 450 HG23 ILE 60 3HG2 ILE 60 -13.468 17.698 0.250 451 HD11 ILE 60 3HD1 ILE 60 -16.824 19.832 -1.238 452 HD12 ILE 60 1HD1 ILE 60 -15.892 21.206 -0.645 453 HD13 ILE 60 2HD1 ILE 60 -15.917 20.836 -2.369 454 H PHE 61 H PHE 61 -14.575 15.997 -4.318 455 HA PHE 61 HA PHE 61 -15.525 13.537 -3.041 456 HB2 PHE 61 1HB PHE 61 -14.363 13.816 -5.813 457 HB3 PHE 61 2HB PHE 61 -15.308 12.477 -5.173 458 HD1 PHE 61 HD2 PHE 61 -17.733 12.978 -4.496 459 HD2 PHE 61 HD1 PHE 61 -15.398 15.532 -6.975 460 HE1 PHE 61 HE2 PHE 61 -19.790 14.019 -5.356 461 HE2 PHE 61 HE1 PHE 61 -17.451 16.578 -7.838 462 HZ PHE 61 HZ PHE 61 -19.651 15.821 -7.029 463 H ILE 62 H ILE 62 -14.139 12.447 -1.829 464 HA ILE 62 HA ILE 62 -11.269 12.596 -2.488 465 HB ILE 62 HB ILE 62 -12.565 12.140 0.202 466 HG12 ILE 62 1HG1 ILE 62 -10.906 14.437 -0.863 467 HG13 ILE 62 2HG1 ILE 62 -12.637 14.475 -0.550 468 HG21 ILE 62 1HG2 ILE 62 -10.265 12.172 1.084 469 HG22 ILE 62 2HG2 ILE 62 -10.555 10.808 0.006 470 HG23 ILE 62 3HG2 ILE 62 -9.651 12.209 -0.568 471 HD11 ILE 62 3HD1 ILE 62 -11.809 15.491 1.324 472 HD12 ILE 62 1HD1 ILE 62 -11.918 13.817 1.868 473 HD13 ILE 62 2HD1 ILE 62 -10.363 14.482 1.367 474 H GLY 63 H GLY 63 -10.446 10.784 -3.285 475 HA2 GLY 63 1HA GLY 63 -10.040 8.553 -3.649 476 HA3 GLY 63 2HA GLY 63 -10.787 8.249 -2.088 477 H SER 64 H SER 64 -12.689 7.229 -2.047 478 HA SER 64 HA SER 64 -14.184 7.020 -4.579 479 HB2 SER 64 1HB SER 64 -14.383 4.865 -2.522 480 HB3 SER 64 2HB SER 64 -14.520 4.758 -4.277 481 HG SER 64 HG SER 64 -12.220 5.175 -4.333 482 H VAL 65 H VAL 65 -14.315 8.604 -1.854 483 HA VAL 65 HA VAL 65 -17.216 8.210 -1.498 484 HB VAL 65 HB VAL 65 -15.328 9.168 0.653 485 HG11 VAL 65 1HG1 VAL 65 -18.250 8.543 0.524 486 HG12 VAL 65 2HG1 VAL 65 -17.373 8.394 2.048 487 HG13 VAL 65 3HG1 VAL 65 -17.435 9.947 1.214 488 HG21 VAL 65 3HG2 VAL 65 -16.444 6.406 0.178 489 HG22 VAL 65 1HG2 VAL 65 -14.747 6.887 0.147 490 HG23 VAL 65 2HG2 VAL 65 -15.646 6.923 1.664 491 H HIS 66 H HIS 66 -18.467 10.076 -1.081 492 HA HIS 66 HA HIS 66 -17.251 12.533 -2.120 493 HB2 HIS 66 1HB HIS 66 -19.194 11.835 -3.356 494 HB3 HIS 66 2HB HIS 66 -20.136 11.666 -1.877 495 HD1 HIS 66 HD1 HIS 66 -21.868 13.339 -2.941 496 HD2 HIS 66 HD2 HIS 66 -18.113 14.941 -2.168 497 HE1 HIS 66 HE1 HIS 66 -22.160 15.834 -3.073 498 H VAL 67 H VAL 67 -16.381 13.648 -0.467 499 HA VAL 67 HA VAL 67 -17.184 13.665 2.186 500 HB VAL 67 HB VAL 67 -15.857 15.902 0.647 501 HG11 VAL 67 1HG1 VAL 67 -16.710 15.674 3.421 502 HG12 VAL 67 2HG1 VAL 67 -14.990 16.031 3.256 503 HG13 VAL 67 3HG1 VAL 67 -16.187 17.090 2.509 504 HG21 VAL 67 3HG2 VAL 67 -14.346 14.194 0.448 505 HG22 VAL 67 1HG2 VAL 67 -13.859 14.850 2.011 506 HG23 VAL 67 2HG2 VAL 67 -14.870 13.407 1.936 507 H GLY 68 H GLY 68 -17.600 16.534 0.123 508 HA2 GLY 68 1HA GLY 68 -20.296 16.866 0.108 509 HA3 GLY 68 2HA GLY 68 -19.839 17.405 1.717 510 H GLY 69 H GLY 69 -19.378 19.491 1.938 511 HA2 GLY 69 1HA GLY 69 -18.216 20.938 -0.337 512 HA3 GLY 69 2HA GLY 69 -19.714 21.537 0.359 513 H CYS 70 H CYS 70 -18.946 23.464 1.125 514 HA CYS 70 HA CYS 70 -16.517 23.810 2.501 515 HB2 CYS 70 1HB CYS 70 -17.991 25.599 1.429 516 HB3 CYS 70 2HB CYS 70 -18.967 25.523 2.891 517 HG CYS 70 HG CYS 70 -17.067 27.741 2.734 518 H ASP 71 H ASP 71 -19.844 23.630 3.768 519 HA ASP 71 HA ASP 71 -19.248 23.742 6.471 520 HB2 ASP 71 1HB ASP 71 -21.541 23.713 5.258 521 HB3 ASP 71 2HB ASP 71 -21.435 21.963 5.429 522 H ASP 72 H ASP 72 -19.492 20.880 4.381 523 HA ASP 72 HA ASP 72 -18.975 18.963 6.363 524 HB2 ASP 72 1HB ASP 72 -18.294 18.797 3.420 525 HB3 ASP 72 2HB ASP 72 -18.476 17.440 4.528 526 H LEU 73 H LEU 73 -16.755 20.444 4.001 527 HA LEU 73 HA LEU 73 -14.417 19.199 4.832 528 HB2 LEU 73 1HB LEU 73 -14.973 20.870 2.863 529 HB3 LEU 73 2HB LEU 73 -14.315 22.052 3.993 530 HG LEU 73 HG LEU 73 -12.880 19.656 2.851 531 HD11 LEU 73 1HD1 LEU 73 -12.551 21.083 1.162 532 HD12 LEU 73 2HD1 LEU 73 -11.432 21.893 2.258 533 HD13 LEU 73 3HD1 LEU 73 -13.090 22.474 2.103 534 HD21 LEU 73 3HD2 LEU 73 -12.266 21.467 5.116 535 HD22 LEU 73 1HD2 LEU 73 -10.942 21.049 4.028 536 HD23 LEU 73 2HD2 LEU 73 -11.832 19.775 4.863 537 H TYR 74 H TYR 74 -15.904 22.197 5.996 538 HA TYR 74 HA TYR 74 -13.833 22.835 7.829 539 HB2 TYR 74 1HB TYR 74 -16.592 23.800 7.291 540 HB3 TYR 74 2HB TYR 74 -15.919 24.149 8.880 541 HD1 TYR 74 HD2 TYR 74 -14.071 23.988 5.666 542 HD2 TYR 74 HD1 TYR 74 -15.614 26.480 8.750 543 HE1 TYR 74 HE2 TYR 74 -12.849 25.902 4.723 544 HE2 TYR 74 HE1 TYR 74 -14.397 28.401 7.815 545 HH TYR 74 HH TYR 74 -12.968 29.099 6.266 546 H ALA 75 H ALA 75 -16.700 20.851 7.999 547 HA ALA 75 HA ALA 75 -16.714 20.598 10.850 548 HB1 ALA 75 1HB ALA 75 -18.239 18.602 10.277 549 HB2 ALA 75 2HB ALA 75 -18.795 20.228 9.881 550 HB3 ALA 75 3HB ALA 75 -18.131 19.191 8.618 551 H LEU 76 H LEU 76 -15.214 18.888 8.199 552 HA LEU 76 HA LEU 76 -14.457 16.606 9.775 553 HB2 LEU 76 1HB LEU 76 -13.915 17.566 7.005 554 HB3 LEU 76 2HB LEU 76 -12.879 16.319 7.696 555 HG LEU 76 HG LEU 76 -15.039 15.763 6.237 556 HD11 LEU 76 1HD1 LEU 76 -13.279 14.270 7.378 557 HD12 LEU 76 2HD1 LEU 76 -14.855 13.576 6.999 558 HD13 LEU 76 3HD1 LEU 76 -14.487 14.077 8.649 559 HD21 LEU 76 3HD2 LEU 76 -16.094 15.721 9.060 560 HD22 LEU 76 1HD2 LEU 76 -16.944 15.241 7.591 561 HD23 LEU 76 2HD2 LEU 76 -16.527 16.934 7.855 562 H GLU 77 H GLU 77 -12.724 19.386 8.381 563 HA GLU 77 HA GLU 77 -10.183 18.803 9.331 564 HB2 GLU 77 1HB GLU 77 -9.608 21.021 8.842 565 HB3 GLU 77 2HB GLU 77 -10.939 20.676 7.746 566 HG2 GLU 77 1HG GLU 77 -11.629 22.691 8.496 567 HG3 GLU 77 2HG GLU 77 -12.349 21.685 9.752 568 H ASP 78 H ASP 78 -12.954 20.086 11.000 569 HA ASP 78 HA ASP 78 -11.671 21.181 13.247 570 HB2 ASP 78 1HB ASP 78 -14.187 21.243 12.457 571 HB3 ASP 78 2HB ASP 78 -14.332 19.843 13.517 572 H GLU 79 H GLU 79 -12.337 17.909 12.328 573 HA GLU 79 HA GLU 79 -11.654 16.932 15.005 574 HB2 GLU 79 1HB GLU 79 -12.506 15.252 12.654 575 HB3 GLU 79 2HB GLU 79 -12.545 14.829 14.360 576 HG2 GLU 79 1HG GLU 79 -14.141 17.060 14.245 577 HG3 GLU 79 2HG GLU 79 -14.507 16.227 12.735 578 H GLY 80 H GLY 80 -10.352 17.342 11.857 579 HA2 GLY 80 1HA GLY 80 -8.146 17.085 11.187 580 HA3 GLY 80 2HA GLY 80 -7.797 16.325 12.732 581 H LYS 81 H LYS 81 -10.388 15.226 10.667 582 HA LYS 81 HA LYS 81 -9.001 12.667 10.374 583 HB2 LYS 81 1HB LYS 81 -11.880 13.378 9.780 584 HB3 LYS 81 2HB LYS 81 -11.187 11.762 9.762 585 HG2 LYS 81 1HG LYS 81 -11.154 13.466 12.228 586 HG3 LYS 81 2HG LYS 81 -12.534 12.448 11.810 587 HD2 LYS 81 1HD LYS 81 -11.398 10.933 13.055 588 HD3 LYS 81 2HD LYS 81 -10.566 10.653 11.524 589 HE2 LYS 81 1HE LYS 81 -9.023 12.602 12.407 590 HE3 LYS 81 2HE LYS 81 -9.632 12.068 13.973 591 HZ1 LYS 81 3HZ LYS 81 -8.250 10.356 13.924 592 HZ2 LYS 81 1HZ LYS 81 -7.581 10.943 12.486 593 HZ3 LYS 81 2HZ LYS 81 -8.856 9.833 12.434 594 H LEU 82 H LEU 82 -10.026 15.412 8.550 595 HA LEU 82 HA LEU 82 -10.302 14.413 5.993 596 HB2 LEU 82 1HB LEU 82 -10.495 16.826 6.911 597 HB3 LEU 82 2HB LEU 82 -8.785 16.944 6.502 598 HG LEU 82 HG LEU 82 -9.695 16.087 4.150 599 HD11 LEU 82 1HD1 LEU 82 -12.041 17.429 5.466 600 HD12 LEU 82 2HD1 LEU 82 -11.986 15.859 4.666 601 HD13 LEU 82 3HD1 LEU 82 -11.846 17.338 3.715 602 HD21 LEU 82 3HD2 LEU 82 -9.257 18.733 5.352 603 HD22 LEU 82 1HD2 LEU 82 -10.178 18.734 3.847 604 HD23 LEU 82 2HD2 LEU 82 -8.568 18.015 3.895 605 H ASP 83 H ASP 83 -7.327 15.250 7.719 606 HA ASP 83 HA ASP 83 -5.477 14.958 5.691 607 HB2 ASP 83 1HB ASP 83 -5.071 15.681 8.097 608 HB3 ASP 83 2HB ASP 83 -5.015 13.968 8.505 609 H SER 84 H SER 84 -6.981 12.460 7.687 610 HA SER 84 HA SER 84 -5.456 10.339 6.470 611 HB2 SER 84 1HB SER 84 -6.463 10.415 8.866 612 HB3 SER 84 2HB SER 84 -7.959 9.912 8.080 613 HG SER 84 HG SER 84 -6.542 8.196 7.125 614 H LEU 85 H LEU 85 -8.486 11.926 5.926 615 HA LEU 85 HA LEU 85 -9.749 9.894 4.408 616 HB2 LEU 85 1HB LEU 85 -10.136 12.818 4.799 617 HB3 LEU 85 2HB LEU 85 -10.937 12.044 3.433 618 HG LEU 85 HG LEU 85 -11.294 11.290 6.333 619 HD11 LEU 85 1HD1 LEU 85 -13.185 12.699 4.456 620 HD12 LEU 85 2HD1 LEU 85 -12.259 13.481 5.736 621 HD13 LEU 85 3HD1 LEU 85 -13.484 12.280 6.143 622 HD21 LEU 85 3HD2 LEU 85 -11.894 9.913 3.877 623 HD22 LEU 85 1HD2 LEU 85 -13.374 10.289 4.760 624 HD23 LEU 85 2HD2 LEU 85 -12.088 9.371 5.544 625 H LEU 86 H LEU 86 -7.604 12.564 3.573 626 HA LEU 86 HA LEU 86 -7.805 12.041 0.739 627 HB2 LEU 86 1HB LEU 86 -6.115 13.803 0.523 628 HB3 LEU 86 2HB LEU 86 -7.500 14.314 1.485 629 HG LEU 86 HG LEU 86 -5.967 13.648 3.501 630 HD11 LEU 86 1HD1 LEU 86 -4.234 13.145 1.355 631 HD12 LEU 86 2HD1 LEU 86 -3.848 13.159 3.076 632 HD13 LEU 86 3HD1 LEU 86 -3.655 14.626 2.117 633 HD21 LEU 86 3HD2 LEU 86 -5.952 16.120 1.830 634 HD22 LEU 86 1HD2 LEU 86 -4.876 16.005 3.222 635 HD23 LEU 86 2HD2 LEU 86 -6.620 15.853 3.441 636 H LYS 87 H LYS 87 -5.801 11.078 3.383 637 HA LYS 87 HA LYS 87 -3.576 10.222 1.778 638 HB2 LYS 87 1HB LYS 87 -3.695 10.870 4.332 639 HB3 LYS 87 2HB LYS 87 -4.075 9.164 4.529 640 HG2 LYS 87 1HG LYS 87 -1.791 9.186 4.794 641 HG3 LYS 87 2HG LYS 87 -1.955 8.786 3.083 642 HD2 LYS 87 1HD LYS 87 -0.314 10.441 3.100 643 HD3 LYS 87 2HD LYS 87 -1.785 11.328 2.695 644 HE2 LYS 87 1HE LYS 87 -0.640 12.609 4.330 645 HE3 LYS 87 2HE LYS 87 -2.010 11.856 5.144 646 HZ1 LYS 87 3HZ LYS 87 0.602 11.748 5.938 647 HZ2 LYS 87 1HZ LYS 87 0.329 10.225 5.253 648 HZ3 LYS 87 2HZ LYS 87 -0.657 10.775 6.512 649 H THR 88 H THR 88 -6.239 8.594 3.474 650 HA THR 88 HA THR 88 -5.502 6.040 2.296 651 HB THR 88 HB THR 88 -7.165 5.044 3.681 652 HG1 THR 88 HG1 THR 88 -8.877 6.109 4.394 653 HG21 THR 88 3HG2 THR 88 -6.574 5.889 5.929 654 HG22 THR 88 1HG2 THR 88 -5.829 7.301 5.180 655 HG23 THR 88 2HG2 THR 88 -5.164 5.694 4.889 656 H GLY 89 H GLY 89 -8.085 8.441 2.083 657 HA2 GLY 89 1HA GLY 89 -9.337 8.895 0.148 658 HA3 GLY 89 2HA GLY 89 -8.820 7.355 -0.522 659 H LYS 90 H LYS 90 -10.013 7.384 2.710 660 HA LYS 90 HA LYS 90 -12.766 7.041 2.177 661 HB2 LYS 90 1HB LYS 90 -12.977 4.634 2.549 662 HB3 LYS 90 2HB LYS 90 -12.008 4.964 1.118 663 HG2 LYS 90 1HG LYS 90 -10.603 4.569 3.705 664 HG3 LYS 90 2HG LYS 90 -11.286 3.159 2.892 665 HD2 LYS 90 1HD LYS 90 -10.068 4.230 0.800 666 HD3 LYS 90 2HD LYS 90 -9.061 4.950 2.058 667 HE2 LYS 90 1HE LYS 90 -7.930 2.990 1.644 668 HE3 LYS 90 2HE LYS 90 -8.975 2.507 2.979 669 HZ1 LYS 90 3HZ LYS 90 -10.216 2.155 0.422 670 HZ2 LYS 90 1HZ LYS 90 -10.036 1.054 1.694 671 HZ3 LYS 90 2HZ LYS 90 -8.788 1.260 0.570 672 H LEU 91 H LEU 91 -13.992 6.688 4.070 673 HA LEU 91 HA LEU 91 -12.912 7.732 6.424 674 HB2 LEU 91 1HB LEU 91 -15.416 6.221 5.795 675 HB3 LEU 91 2HB LEU 91 -15.023 6.644 7.460 676 HG LEU 91 HG LEU 91 -15.094 8.774 5.362 677 HD11 LEU 91 1HD1 LEU 91 -17.292 8.688 5.068 678 HD12 LEU 91 2HD1 LEU 91 -17.578 8.567 6.803 679 HD13 LEU 91 3HD1 LEU 91 -17.277 7.110 5.856 680 HD21 LEU 91 3HD2 LEU 91 -14.401 8.843 7.954 681 HD22 LEU 91 1HD2 LEU 91 -16.133 9.138 8.100 682 HD23 LEU 91 2HD2 LEU 91 -15.138 10.205 7.109 683 H ILE 92 H ILE 92 -11.908 6.870 8.142 684 HA ILE 92 HA ILE 92 -10.688 4.373 8.036 685 HB ILE 92 HB ILE 92 -11.316 5.996 10.505 686 HG12 ILE 92 1HG1 ILE 92 -10.055 7.282 8.850 687 HG13 ILE 92 2HG1 ILE 92 -9.032 6.881 10.225 688 HG21 ILE 92 1HG2 ILE 92 -8.959 4.670 10.954 689 HG22 ILE 92 2HG2 ILE 92 -10.539 4.192 11.571 690 HG23 ILE 92 3HG2 ILE 92 -9.918 3.471 10.087 691 HD11 ILE 92 3HD1 ILE 92 -7.553 6.004 8.844 692 HD12 ILE 92 1HD1 ILE 92 -8.745 4.814 8.323 693 HD13 ILE 92 2HD1 ILE 92 -8.606 6.353 7.473 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -3.870 -0.347 7.152 2 HA2 GLY 1 1HA GLY 1 -5.908 0.899 5.547 3 HA3 GLY 1 2HA GLY 1 -4.543 1.701 6.310 4 HA PRO 2 HA PRO 2 -2.997 -0.057 2.059 5 HB2 PRO 2 1HB PRO 2 -4.944 -0.806 0.321 6 HB3 PRO 2 2HB PRO 2 -4.192 -1.927 1.462 7 HG2 PRO 2 1HG PRO 2 -6.806 -0.482 1.670 8 HG3 PRO 2 2HG PRO 2 -6.424 -2.168 2.069 9 HD2 PRO 2 1HD PRO 2 -6.627 -0.234 3.954 10 HD3 PRO 2 2HD PRO 2 -5.516 -1.610 4.112 11 H GLY 3 H GLY 3 -2.353 1.690 0.974 12 HA2 GLY 3 1HA GLY 3 -3.300 3.095 -0.986 13 HA3 GLY 3 2HA GLY 3 -4.346 3.735 0.273 14 H SER 4 H SER 4 -1.864 4.614 -1.486 15 HA SER 4 HA SER 4 -0.378 5.878 0.718 16 HB2 SER 4 1HB SER 4 0.518 5.608 -2.158 17 HB3 SER 4 2HB SER 4 1.496 6.089 -0.771 18 HG SER 4 HG SER 4 0.980 3.624 -1.693 19 H MET 5 H MET 5 -2.396 6.453 -2.017 20 HA MET 5 HA MET 5 -2.832 9.157 -1.321 21 HB2 MET 5 1HB MET 5 -0.552 9.290 -2.407 22 HB3 MET 5 2HB MET 5 -1.321 8.798 -3.910 23 HG2 MET 5 1HG MET 5 -2.593 10.776 -4.025 24 HG3 MET 5 2HG MET 5 -2.216 11.204 -2.358 25 HE1 MET 5 3HE MET 5 -0.316 10.175 -5.640 26 HE2 MET 5 1HE MET 5 -1.251 11.611 -6.056 27 HE3 MET 5 2HE MET 5 0.510 11.686 -6.021 28 H VAL 6 H VAL 6 -4.499 10.129 -2.556 29 HA VAL 6 HA VAL 6 -5.736 8.457 -4.622 30 HB VAL 6 HB VAL 6 -7.966 8.787 -3.645 31 HG11 VAL 6 1HG1 VAL 6 -6.574 7.576 -1.360 32 HG12 VAL 6 2HG1 VAL 6 -7.807 6.903 -2.428 33 HG13 VAL 6 3HG1 VAL 6 -6.119 6.931 -2.937 34 HG21 VAL 6 3HG2 VAL 6 -7.488 9.395 -0.983 35 HG22 VAL 6 1HG2 VAL 6 -6.488 10.542 -1.875 36 HG23 VAL 6 2HG2 VAL 6 -8.222 10.454 -2.186 37 H ASP 7 H ASP 7 -6.770 9.570 -6.223 38 HA ASP 7 HA ASP 7 -6.102 12.285 -6.611 39 HB2 ASP 7 1HB ASP 7 -8.112 10.528 -8.033 40 HB3 ASP 7 2HB ASP 7 -7.637 12.134 -8.579 41 H VAL 8 H VAL 8 -7.188 14.141 -6.245 42 HA VAL 8 HA VAL 8 -9.836 13.919 -4.968 43 HB VAL 8 HB VAL 8 -7.760 16.065 -4.506 44 HG11 VAL 8 1HG1 VAL 8 -10.544 15.628 -3.513 45 HG12 VAL 8 2HG1 VAL 8 -9.365 16.456 -2.494 46 HG13 VAL 8 3HG1 VAL 8 -9.776 17.110 -4.080 47 HG21 VAL 8 3HG2 VAL 8 -7.883 13.452 -3.469 48 HG22 VAL 8 1HG2 VAL 8 -6.847 14.779 -2.942 49 HG23 VAL 8 2HG2 VAL 8 -8.417 14.529 -2.179 50 H ILE 9 H ILE 9 -11.478 15.157 -5.715 51 HA ILE 9 HA ILE 9 -10.869 17.147 -7.794 52 HB ILE 9 HB ILE 9 -13.224 15.268 -7.939 53 HG12 ILE 9 1HG1 ILE 9 -10.606 15.124 -9.451 54 HG13 ILE 9 2HG1 ILE 9 -11.108 14.017 -8.177 55 HG21 ILE 9 1HG2 ILE 9 -13.327 16.084 -10.275 56 HG22 ILE 9 2HG2 ILE 9 -13.584 17.355 -9.081 57 HG23 ILE 9 3HG2 ILE 9 -12.029 17.218 -9.902 58 HD11 ILE 9 3HD1 ILE 9 -11.942 14.173 -10.996 59 HD12 ILE 9 1HD1 ILE 9 -11.749 12.775 -9.939 60 HD13 ILE 9 2HD1 ILE 9 -13.200 13.773 -9.826 61 H ILE 10 H ILE 10 -11.954 19.027 -7.639 62 HA ILE 10 HA ILE 10 -14.115 19.188 -5.640 63 HB ILE 10 HB ILE 10 -11.968 20.322 -4.977 64 HG12 ILE 10 1HG1 ILE 10 -14.491 20.997 -4.427 65 HG13 ILE 10 2HG1 ILE 10 -13.124 21.928 -3.824 66 HG21 ILE 10 1HG2 ILE 10 -11.263 21.131 -7.140 67 HG22 ILE 10 2HG2 ILE 10 -12.701 22.142 -7.265 68 HG23 ILE 10 3HG2 ILE 10 -11.479 22.495 -6.044 69 HD11 ILE 10 3HD1 ILE 10 -15.002 23.265 -4.792 70 HD12 ILE 10 1HD1 ILE 10 -13.414 23.587 -5.487 71 HD13 ILE 10 2HD1 ILE 10 -14.577 22.594 -6.366 72 H TYR 11 H TYR 11 -15.961 20.228 -6.195 73 HA TYR 11 HA TYR 11 -16.095 21.321 -8.928 74 HB2 TYR 11 1HB TYR 11 -17.762 19.405 -7.512 75 HB3 TYR 11 2HB TYR 11 -18.705 20.752 -8.139 76 HD1 TYR 11 HD2 TYR 11 -15.707 19.031 -9.543 77 HD2 TYR 11 HD1 TYR 11 -19.834 19.955 -10.003 78 HE1 TYR 11 HE2 TYR 11 -15.682 18.001 -11.777 79 HE2 TYR 11 HE1 TYR 11 -19.821 18.927 -12.238 80 HH TYR 11 HH TYR 11 -18.163 16.965 -13.350 81 H THR 12 H THR 12 -16.302 23.448 -8.989 82 HA THR 12 HA THR 12 -18.113 24.776 -7.121 83 HB THR 12 HB THR 12 -16.093 25.137 -5.952 84 HG1 THR 12 HG1 THR 12 -16.216 27.452 -7.583 85 HG21 THR 12 3HG2 THR 12 -14.393 24.462 -7.410 86 HG22 THR 12 1HG2 THR 12 -14.109 26.190 -7.212 87 HG23 THR 12 2HG2 THR 12 -14.898 25.588 -8.670 88 H ARG 13 H ARG 13 -18.851 26.836 -7.839 89 HA ARG 13 HA ARG 13 -18.557 27.199 -10.743 90 HB2 ARG 13 1HB ARG 13 -20.752 27.781 -10.872 91 HB3 ARG 13 2HB ARG 13 -20.846 26.809 -9.409 92 HG2 ARG 13 1HG ARG 13 -20.345 29.107 -8.239 93 HG3 ARG 13 2HG ARG 13 -21.000 29.758 -9.743 94 HD2 ARG 13 1HD ARG 13 -22.518 27.576 -8.436 95 HD3 ARG 13 2HD ARG 13 -22.528 29.149 -7.640 96 HE ARG 13 HE ARG 13 -23.135 29.243 -10.454 97 HH11 ARG 13 1HH1 ARG 13 -24.418 28.863 -7.240 98 HH12 ARG 13 2HH1 ARG 13 -26.016 29.372 -7.677 99 HH21 ARG 13 1HH2 ARG 13 -25.235 29.914 -11.041 100 HH22 ARG 13 2HH2 ARG 13 -26.479 29.968 -9.839 101 HA PRO 14 HA PRO 14 -16.729 31.164 -10.319 102 HB2 PRO 14 1HB PRO 14 -17.946 32.591 -12.282 103 HB3 PRO 14 2HB PRO 14 -16.759 31.322 -12.610 104 HG2 PRO 14 1HG PRO 14 -19.748 31.192 -12.711 105 HG3 PRO 14 2HG PRO 14 -18.561 30.522 -13.845 106 HD2 PRO 14 1HD PRO 14 -19.800 29.010 -11.971 107 HD3 PRO 14 2HD PRO 14 -18.142 28.685 -12.517 108 H GLY 15 H GLY 15 -17.176 32.294 -8.513 109 HA2 GLY 15 1HA GLY 15 -18.172 34.332 -7.680 110 HA3 GLY 15 2HA GLY 15 -19.661 33.881 -8.497 111 H CYS 16 H CYS 16 -18.063 31.320 -6.906 112 HA CYS 16 HA CYS 16 -20.151 31.307 -4.857 113 HB2 CYS 16 1HB CYS 16 -19.806 29.287 -6.280 114 HB3 CYS 16 2HB CYS 16 -18.194 29.121 -5.591 115 HA PRO 17 HA PRO 17 -17.013 32.839 -2.044 116 HB2 PRO 17 1HB PRO 17 -18.711 33.167 0.049 117 HB3 PRO 17 2HB PRO 17 -18.603 34.316 -1.289 118 HG2 PRO 17 1HG PRO 17 -20.599 32.134 -0.824 119 HG3 PRO 17 2HG PRO 17 -20.867 33.795 -1.386 120 HD2 PRO 17 1HD PRO 17 -20.807 31.678 -3.073 121 HD3 PRO 17 2HD PRO 17 -20.252 33.295 -3.550 122 H TYR 18 H TYR 18 -19.522 30.582 -0.872 123 HA TYR 18 HA TYR 18 -18.017 29.480 1.211 124 HB2 TYR 18 1HB TYR 18 -20.147 28.048 -0.385 125 HB3 TYR 18 2HB TYR 18 -19.656 27.714 1.272 126 HD1 TYR 18 HD1 TYR 18 -19.702 30.115 2.705 127 HD2 TYR 18 HD2 TYR 18 -22.246 28.979 -0.511 128 HE1 TYR 18 HE1 TYR 18 -21.428 31.659 3.532 129 HE2 TYR 18 HE2 TYR 18 -23.978 30.521 0.306 130 HH TYR 18 HH TYR 18 -23.529 32.948 2.213 131 H CYS 19 H CYS 19 -17.985 28.867 -2.204 132 HA CYS 19 HA CYS 19 -16.684 26.331 -2.092 133 HB2 CYS 19 1HB CYS 19 -16.855 28.354 -4.336 134 HB3 CYS 19 2HB CYS 19 -16.262 26.704 -4.505 135 H ALA 20 H ALA 20 -15.562 29.656 -2.614 136 HA ALA 20 HA ALA 20 -12.894 29.197 -3.142 137 HB1 ALA 20 1HB ALA 20 -13.369 31.455 -1.333 138 HB2 ALA 20 2HB ALA 20 -12.664 31.421 -2.950 139 HB3 ALA 20 3HB ALA 20 -14.417 31.415 -2.751 140 H ARG 21 H ARG 21 -14.530 29.319 -0.009 141 HA ARG 21 HA ARG 21 -12.221 29.164 1.598 142 HB2 ARG 21 1HB ARG 21 -15.116 28.908 1.972 143 HB3 ARG 21 2HB ARG 21 -14.174 27.924 3.084 144 HG2 ARG 21 1HG ARG 21 -14.582 30.006 4.142 145 HG3 ARG 21 2HG ARG 21 -12.880 29.978 3.676 146 HD2 ARG 21 1HD ARG 21 -13.682 32.123 3.096 147 HD3 ARG 21 2HD ARG 21 -13.566 31.221 1.586 148 HE ARG 21 HE ARG 21 -15.841 31.366 1.362 149 HH11 ARG 21 1HH1 ARG 21 -14.952 32.203 4.622 150 HH12 ARG 21 2HH1 ARG 21 -16.539 32.744 5.055 151 HH21 ARG 21 1HH2 ARG 21 -17.936 32.075 1.920 152 HH22 ARG 21 2HH2 ARG 21 -18.236 32.670 3.518 153 H ALA 22 H ALA 22 -14.308 26.682 0.196 154 HA ALA 22 HA ALA 22 -13.171 24.459 1.488 155 HB1 ALA 22 1HB ALA 22 -14.521 23.189 0.173 156 HB2 ALA 22 2HB ALA 22 -15.306 24.750 -0.066 157 HB3 ALA 22 3HB ALA 22 -14.184 24.133 -1.278 158 H LYS 23 H LYS 23 -12.489 25.873 -1.707 159 HA LYS 23 HA LYS 23 -10.474 24.083 -2.459 160 HB2 LYS 23 1HB LYS 23 -10.725 27.000 -3.217 161 HB3 LYS 23 2HB LYS 23 -9.802 25.779 -4.084 162 HG2 LYS 23 1HG LYS 23 -12.250 24.631 -4.054 163 HG3 LYS 23 2HG LYS 23 -12.682 26.342 -4.103 164 HD2 LYS 23 1HD LYS 23 -10.819 24.932 -6.015 165 HD3 LYS 23 2HD LYS 23 -12.486 25.401 -6.355 166 HE2 LYS 23 1HE LYS 23 -11.232 27.717 -5.416 167 HE3 LYS 23 2HE LYS 23 -10.069 26.964 -6.507 168 HZ1 LYS 23 3HZ LYS 23 -12.592 28.231 -7.097 169 HZ2 LYS 23 1HZ LYS 23 -12.367 26.752 -7.887 170 HZ3 LYS 23 2HZ LYS 23 -11.240 27.997 -8.086 171 H ALA 24 H ALA 24 -10.197 27.294 -0.941 172 HA ALA 24 HA ALA 24 -7.420 27.357 -0.706 173 HB1 ALA 24 1HB ALA 24 -9.096 28.571 1.435 174 HB2 ALA 24 2HB ALA 24 -7.698 29.230 0.585 175 HB3 ALA 24 3HB ALA 24 -9.266 29.161 -0.219 176 H LEU 25 H LEU 25 -9.866 25.979 1.437 177 HA LEU 25 HA LEU 25 -8.187 25.379 3.605 178 HB2 LEU 25 1HB LEU 25 -10.749 25.308 3.432 179 HB3 LEU 25 2HB LEU 25 -10.524 23.681 2.793 180 HG LEU 25 HG LEU 25 -11.088 23.749 5.209 181 HD11 LEU 25 1HD1 LEU 25 -9.344 22.125 3.895 182 HD12 LEU 25 2HD1 LEU 25 -9.924 21.866 5.540 183 HD13 LEU 25 3HD1 LEU 25 -8.372 22.658 5.268 184 HD21 LEU 25 3HD2 LEU 25 -8.333 24.923 5.552 185 HD22 LEU 25 1HD2 LEU 25 -9.496 24.529 6.818 186 HD23 LEU 25 2HD2 LEU 25 -9.831 25.845 5.693 187 H LEU 26 H LEU 26 -9.359 23.202 1.030 188 HA LEU 26 HA LEU 26 -7.871 20.968 1.694 189 HB2 LEU 26 1HB LEU 26 -9.147 21.996 -0.759 190 HB3 LEU 26 2HB LEU 26 -7.913 20.759 -0.991 191 HG LEU 26 HG LEU 26 -10.403 20.474 0.691 192 HD11 LEU 26 1HD1 LEU 26 -10.396 20.498 -1.965 193 HD12 LEU 26 2HD1 LEU 26 -11.408 19.394 -1.034 194 HD13 LEU 26 3HD1 LEU 26 -9.884 18.828 -1.717 195 HD21 LEU 26 3HD2 LEU 26 -8.782 19.104 1.685 196 HD22 LEU 26 1HD2 LEU 26 -8.089 18.644 0.130 197 HD23 LEU 26 2HD2 LEU 26 -9.672 18.030 0.606 198 H ALA 27 H ALA 27 -6.960 23.712 -0.353 199 HA ALA 27 HA ALA 27 -4.414 22.672 -1.078 200 HB1 ALA 27 1HB ALA 27 -5.728 25.348 -1.268 201 HB2 ALA 27 2HB ALA 27 -4.000 25.192 -1.588 202 HB3 ALA 27 3HB ALA 27 -5.162 24.280 -2.552 203 H ARG 28 H ARG 28 -5.611 24.483 1.643 204 HA ARG 28 HA ARG 28 -3.157 25.508 2.585 205 HB2 ARG 28 1HB ARG 28 -5.476 26.202 3.318 206 HB3 ARG 28 2HB ARG 28 -5.528 24.734 4.285 207 HG2 ARG 28 1HG ARG 28 -3.621 25.485 5.579 208 HG3 ARG 28 2HG ARG 28 -3.490 26.932 4.577 209 HD2 ARG 28 1HD ARG 28 -5.857 27.475 5.285 210 HD3 ARG 28 2HD ARG 28 -5.703 26.182 6.473 211 HE ARG 28 HE ARG 28 -3.526 27.926 6.751 212 HH11 ARG 28 1HH1 ARG 28 -6.973 27.860 7.236 213 HH12 ARG 28 2HH1 ARG 28 -6.946 29.022 8.521 214 HH21 ARG 28 1HH2 ARG 28 -3.477 29.457 8.441 215 HH22 ARG 28 2HH2 ARG 28 -4.957 29.930 9.205 216 H LYS 29 H LYS 29 -4.908 22.509 3.297 217 HA LYS 29 HA LYS 29 -3.116 21.546 5.252 218 HB2 LYS 29 1HB LYS 29 -4.783 19.824 3.421 219 HB3 LYS 29 2HB LYS 29 -4.249 19.459 5.057 220 HG2 LYS 29 1HG LYS 29 -5.696 21.253 5.910 221 HG3 LYS 29 2HG LYS 29 -6.260 21.557 4.265 222 HD2 LYS 29 1HD LYS 29 -6.569 18.974 5.797 223 HD3 LYS 29 2HD LYS 29 -7.841 20.162 5.501 224 HE2 LYS 29 1HE LYS 29 -8.311 18.844 3.737 225 HE3 LYS 29 2HE LYS 29 -6.982 19.718 2.978 226 HZ1 LYS 29 3HZ LYS 29 -5.721 17.723 4.294 227 HZ2 LYS 29 1HZ LYS 29 -6.122 17.702 2.651 228 HZ3 LYS 29 2HZ LYS 29 -7.141 16.961 3.778 229 H GLY 30 H GLY 30 -2.838 21.820 1.868 230 HA2 GLY 30 1HA GLY 30 -0.768 21.506 0.749 231 HA3 GLY 30 2HA GLY 30 -0.320 20.321 1.968 232 H ALA 31 H ALA 31 -3.492 20.100 0.660 233 HA ALA 31 HA ALA 31 -2.674 17.700 -0.829 234 HB1 ALA 31 1HB ALA 31 -5.028 18.388 0.800 235 HB2 ALA 31 2HB ALA 31 -5.357 17.468 -0.669 236 HB3 ALA 31 3HB ALA 31 -4.240 16.831 0.538 237 H GLU 32 H GLU 32 -2.532 17.950 -2.953 238 HA GLU 32 HA GLU 32 -3.670 20.161 -4.337 239 HB2 GLU 32 1HB GLU 32 -2.080 17.757 -5.086 240 HB3 GLU 32 2HB GLU 32 -2.968 18.579 -6.362 241 HG2 GLU 32 1HG GLU 32 -1.823 20.661 -5.835 242 HG3 GLU 32 2HG GLU 32 -0.950 19.858 -4.531 243 H PHE 33 H PHE 33 -5.361 20.229 -5.801 244 HA PHE 33 HA PHE 33 -6.997 17.850 -6.181 245 HB2 PHE 33 1HB PHE 33 -9.061 19.046 -5.485 246 HB3 PHE 33 2HB PHE 33 -7.940 18.784 -4.153 247 HD1 PHE 33 HD1 PHE 33 -9.196 21.309 -6.540 248 HD2 PHE 33 HD2 PHE 33 -7.062 20.588 -2.929 249 HE1 PHE 33 HE1 PHE 33 -9.243 23.717 -6.036 250 HE2 PHE 33 HE2 PHE 33 -7.107 22.995 -2.418 251 HZ PHE 33 HZ PHE 33 -8.199 24.562 -3.972 252 H ASN 34 H ASN 34 -8.588 18.088 -7.868 253 HA ASN 34 HA ASN 34 -7.703 19.977 -9.904 254 HB2 ASN 34 1HB ASN 34 -8.037 17.489 -10.344 255 HB3 ASN 34 2HB ASN 34 -9.766 17.799 -10.231 256 HD21 ASN 34 2HD2 ASN 34 -9.471 16.860 -12.471 257 HD22 ASN 34 1HD2 ASN 34 -9.239 17.994 -13.754 258 H GLU 35 H GLU 35 -8.721 21.835 -10.219 259 HA GLU 35 HA GLU 35 -11.312 22.303 -9.007 260 HB2 GLU 35 1HB GLU 35 -9.518 23.996 -8.854 261 HB3 GLU 35 2HB GLU 35 -9.547 24.168 -10.603 262 HG2 GLU 35 1HG GLU 35 -12.132 24.629 -10.067 263 HG3 GLU 35 2HG GLU 35 -11.408 25.197 -8.564 264 H ILE 36 H ILE 36 -13.109 21.789 -10.052 265 HA ILE 36 HA ILE 36 -13.241 22.287 -12.950 266 HB ILE 36 HB ILE 36 -14.525 19.938 -11.554 267 HG12 ILE 36 1HG1 ILE 36 -12.173 19.943 -13.455 268 HG13 ILE 36 2HG1 ILE 36 -12.031 19.791 -11.707 269 HG21 ILE 36 1HG2 ILE 36 -15.882 20.133 -13.343 270 HG22 ILE 36 2HG2 ILE 36 -14.721 21.101 -14.250 271 HG23 ILE 36 3HG2 ILE 36 -14.546 19.348 -14.185 272 HD11 ILE 36 3HD1 ILE 36 -12.415 17.758 -13.608 273 HD12 ILE 36 1HD1 ILE 36 -12.346 17.612 -11.852 274 HD13 ILE 36 2HD1 ILE 36 -13.896 17.860 -12.657 275 H ASP 37 H ASP 37 -15.267 22.908 -13.766 276 HA ASP 37 HA ASP 37 -17.089 23.969 -11.718 277 HB2 ASP 37 1HB ASP 37 -16.534 24.799 -14.564 278 HB3 ASP 37 2HB ASP 37 -17.933 25.387 -13.670 279 H ALA 38 H ALA 38 -19.338 23.722 -11.936 280 HA ALA 38 HA ALA 38 -20.139 21.487 -13.684 281 HB1 ALA 38 1HB ALA 38 -21.950 21.961 -11.483 282 HB2 ALA 38 2HB ALA 38 -21.102 20.486 -11.947 283 HB3 ALA 38 3HB ALA 38 -20.305 21.673 -10.915 284 H SER 39 H SER 39 -20.997 24.656 -12.439 285 HA SER 39 HA SER 39 -23.577 24.869 -13.505 286 HB2 SER 39 1HB SER 39 -22.715 26.470 -11.875 287 HB3 SER 39 2HB SER 39 -21.517 27.039 -13.037 288 HG SER 39 HG SER 39 -24.302 27.135 -13.536 289 H ALA 40 H ALA 40 -20.528 24.832 -15.047 290 HA ALA 40 HA ALA 40 -20.853 26.417 -17.277 291 HB1 ALA 40 1HB ALA 40 -19.137 25.205 -18.277 292 HB2 ALA 40 2HB ALA 40 -18.851 24.972 -16.552 293 HB3 ALA 40 3HB ALA 40 -19.617 23.696 -17.499 294 H THR 41 H THR 41 -22.118 23.176 -16.680 295 HA THR 41 HA THR 41 -23.869 23.510 -19.020 296 HB THR 41 HB THR 41 -23.654 20.847 -19.043 297 HG1 THR 41 HG1 THR 41 -21.461 20.287 -18.652 298 HG21 THR 41 3HG2 THR 41 -21.586 22.618 -20.344 299 HG22 THR 41 1HG2 THR 41 -23.246 22.454 -20.914 300 HG23 THR 41 2HG2 THR 41 -22.170 21.057 -20.921 301 HA PRO 42 HA PRO 42 -27.207 22.363 -16.412 302 HB2 PRO 42 1HB PRO 42 -28.781 20.933 -18.099 303 HB3 PRO 42 2HB PRO 42 -28.594 22.687 -18.214 304 HG2 PRO 42 1HG PRO 42 -27.253 20.530 -19.799 305 HG3 PRO 42 2HG PRO 42 -27.939 22.067 -20.358 306 HD2 PRO 42 1HD PRO 42 -25.283 21.712 -19.971 307 HD3 PRO 42 2HD PRO 42 -26.085 23.274 -19.711 308 H GLU 43 H GLU 43 -25.993 19.662 -18.388 309 HA GLU 43 HA GLU 43 -27.041 17.564 -16.889 310 HB2 GLU 43 1HB GLU 43 -25.664 17.648 -19.157 311 HB3 GLU 43 2HB GLU 43 -24.325 17.267 -18.083 312 HG2 GLU 43 1HG GLU 43 -24.934 15.157 -18.563 313 HG3 GLU 43 2HG GLU 43 -26.071 15.432 -17.244 314 H LEU 44 H LEU 44 -23.837 19.097 -16.628 315 HA LEU 44 HA LEU 44 -22.977 17.569 -14.417 316 HB2 LEU 44 1HB LEU 44 -22.120 20.168 -15.626 317 HB3 LEU 44 2HB LEU 44 -21.415 19.619 -14.107 318 HG LEU 44 HG LEU 44 -21.321 18.085 -16.704 319 HD11 LEU 44 1HD1 LEU 44 -18.843 19.145 -15.559 320 HD12 LEU 44 2HD1 LEU 44 -19.951 20.373 -16.171 321 HD13 LEU 44 3HD1 LEU 44 -19.389 19.084 -17.235 322 HD21 LEU 44 3HD2 LEU 44 -19.312 17.216 -15.017 323 HD22 LEU 44 1HD2 LEU 44 -20.825 16.377 -15.362 324 HD23 LEU 44 2HD2 LEU 44 -20.700 17.422 -13.947 325 H ARG 45 H ARG 45 -24.995 20.372 -14.697 326 HA ARG 45 HA ARG 45 -24.759 21.148 -11.934 327 HB2 ARG 45 1HB ARG 45 -25.296 22.728 -13.822 328 HB3 ARG 45 2HB ARG 45 -26.882 21.974 -13.916 329 HG2 ARG 45 1HG ARG 45 -27.516 22.785 -11.810 330 HG3 ARG 45 2HG ARG 45 -25.854 23.187 -11.374 331 HD2 ARG 45 1HD ARG 45 -26.591 25.268 -11.923 332 HD3 ARG 45 2HD ARG 45 -26.066 24.731 -13.518 333 HE ARG 45 HE ARG 45 -28.768 24.035 -13.114 334 HH11 ARG 45 1HH1 ARG 45 -26.732 26.800 -13.688 335 HH12 ARG 45 2HH1 ARG 45 -27.974 27.714 -14.477 336 HH21 ARG 45 1HH2 ARG 45 -30.412 25.228 -14.152 337 HH22 ARG 45 2HH2 ARG 45 -30.067 26.820 -14.740 338 H ALA 46 H ALA 46 -26.817 19.084 -13.837 339 HA ALA 46 HA ALA 46 -28.974 18.890 -12.006 340 HB1 ALA 46 1HB ALA 46 -28.150 17.586 -14.484 341 HB2 ALA 46 2HB ALA 46 -29.011 16.518 -13.375 342 HB3 ALA 46 3HB ALA 46 -29.760 18.022 -13.911 343 H GLU 47 H GLU 47 -26.278 16.652 -12.691 344 HA GLU 47 HA GLU 47 -26.869 14.873 -10.587 345 HB2 GLU 47 1HB GLU 47 -24.703 13.905 -11.001 346 HB3 GLU 47 2HB GLU 47 -25.431 14.331 -12.543 347 HG2 GLU 47 1HG GLU 47 -24.082 16.428 -12.516 348 HG3 GLU 47 2HG GLU 47 -23.260 15.812 -11.083 349 H MET 48 H MET 48 -24.916 17.785 -10.758 350 HA MET 48 HA MET 48 -23.588 17.488 -8.284 351 HB2 MET 48 1HB MET 48 -22.622 19.074 -9.686 352 HB3 MET 48 2HB MET 48 -24.169 19.804 -10.094 353 HG2 MET 48 1HG MET 48 -23.436 19.995 -7.264 354 HG3 MET 48 2HG MET 48 -22.361 20.849 -8.368 355 HE1 MET 48 3HE MET 48 -23.707 22.126 -10.558 356 HE2 MET 48 1HE MET 48 -24.505 23.572 -9.940 357 HE3 MET 48 2HE MET 48 -22.884 23.154 -9.384 358 H GLN 49 H GLN 49 -26.509 19.319 -9.175 359 HA GLN 49 HA GLN 49 -27.059 20.069 -6.466 360 HB2 GLN 49 1HB GLN 49 -28.763 21.341 -7.315 361 HB3 GLN 49 2HB GLN 49 -27.776 21.178 -8.761 362 HG2 GLN 49 1HG GLN 49 -29.244 19.117 -9.255 363 HG3 GLN 49 2HG GLN 49 -30.346 19.819 -8.071 364 HE21 GLN 49 2HE2 GLN 49 -30.047 22.496 -8.596 365 HE22 GLN 49 1HE2 GLN 49 -30.649 22.845 -10.177 366 H GLU 50 H GLU 50 -27.618 17.285 -8.335 367 HA GLU 50 HA GLU 50 -30.025 16.407 -7.076 368 HB2 GLU 50 1HB GLU 50 -29.486 15.525 -9.240 369 HB3 GLU 50 2HB GLU 50 -27.921 14.954 -8.679 370 HG2 GLU 50 1HG GLU 50 -28.807 13.139 -7.608 371 HG3 GLU 50 2HG GLU 50 -30.371 13.912 -7.359 372 H ARG 51 H ARG 51 -26.638 16.196 -6.330 373 HA ARG 51 HA ARG 51 -27.072 14.190 -4.264 374 HB2 ARG 51 1HB ARG 51 -24.539 15.642 -5.050 375 HB3 ARG 51 2HB ARG 51 -24.649 14.270 -3.955 376 HG2 ARG 51 1HG ARG 51 -25.267 12.804 -5.714 377 HG3 ARG 51 2HG ARG 51 -25.502 14.148 -6.834 378 HD2 ARG 51 1HD ARG 51 -23.316 14.276 -7.318 379 HD3 ARG 51 2HD ARG 51 -22.836 14.053 -5.636 380 HE ARG 51 HE ARG 51 -22.456 11.859 -6.108 381 HH11 ARG 51 1HH1 ARG 51 -24.666 13.128 -8.480 382 HH12 ARG 51 2HH1 ARG 51 -24.702 11.671 -9.417 383 HH21 ARG 51 1HH2 ARG 51 -22.495 9.935 -7.334 384 HH22 ARG 51 2HH2 ARG 51 -23.467 9.855 -8.764 385 H SER 52 H SER 52 -26.302 17.611 -4.585 386 HA SER 52 HA SER 52 -25.965 18.003 -1.754 387 HB2 SER 52 1HB SER 52 -24.845 19.378 -3.579 388 HB3 SER 52 2HB SER 52 -26.409 20.152 -3.831 389 HG SER 52 HG SER 52 -25.335 20.026 -1.242 390 H GLY 53 H GLY 53 -28.526 18.466 -4.123 391 HA2 GLY 53 1HA GLY 53 -30.818 18.515 -3.718 392 HA3 GLY 53 2HA GLY 53 -30.485 18.561 -1.993 393 H ARG 54 H ARG 54 -28.569 20.878 -3.254 394 HA ARG 54 HA ARG 54 -30.639 22.951 -2.928 395 HB2 ARG 54 1HB ARG 54 -27.761 22.889 -2.043 396 HB3 ARG 54 2HB ARG 54 -28.645 24.400 -2.206 397 HG2 ARG 54 1HG ARG 54 -30.382 23.317 -0.656 398 HG3 ARG 54 2HG ARG 54 -29.110 22.149 -0.290 399 HD2 ARG 54 1HD ARG 54 -27.636 23.967 0.408 400 HD3 ARG 54 2HD ARG 54 -28.893 25.142 0.020 401 HE ARG 54 HE ARG 54 -29.933 24.632 1.996 402 HH11 ARG 54 1HH1 ARG 54 -27.571 22.178 1.276 403 HH12 ARG 54 2HH1 ARG 54 -27.720 21.398 2.816 404 HH21 ARG 54 1HH2 ARG 54 -30.139 23.614 4.027 405 HH22 ARG 54 2HH2 ARG 54 -29.182 22.215 4.380 406 H ASN 55 H ASN 55 -29.740 25.136 -3.873 407 HA ASN 55 HA ASN 55 -29.784 25.016 -6.604 408 HB2 ASN 55 1HB ASN 55 -28.425 27.278 -6.386 409 HB3 ASN 55 2HB ASN 55 -30.094 27.163 -5.834 410 HD21 ASN 55 2HD2 ASN 55 -26.856 27.733 -4.961 411 HD22 ASN 55 1HD2 ASN 55 -27.108 27.961 -3.267 412 H THR 56 H THR 56 -26.794 25.810 -4.832 413 HA THR 56 HA THR 56 -25.247 23.906 -6.326 414 HB THR 56 HB THR 56 -24.560 26.808 -6.782 415 HG1 THR 56 HG1 THR 56 -25.765 25.084 -8.692 416 HG21 THR 56 3HG2 THR 56 -22.634 25.840 -7.404 417 HG22 THR 56 1HG2 THR 56 -23.520 25.294 -8.826 418 HG23 THR 56 2HG2 THR 56 -23.350 24.229 -7.431 419 H PHE 57 H PHE 57 -23.475 23.326 -5.210 420 HA PHE 57 HA PHE 57 -22.304 25.160 -3.273 421 HB2 PHE 57 1HB PHE 57 -22.846 24.022 -1.391 422 HB3 PHE 57 2HB PHE 57 -24.181 23.419 -2.367 423 HD1 PHE 57 HD2 PHE 57 -23.407 21.322 -3.911 424 HD2 PHE 57 HD1 PHE 57 -21.725 22.455 -0.168 425 HE1 PHE 57 HE2 PHE 57 -22.611 19.019 -3.575 426 HE2 PHE 57 HE1 PHE 57 -20.925 20.153 0.173 427 HZ PHE 57 HZ PHE 57 -21.369 18.431 -1.531 428 HA PRO 58 HA PRO 58 -18.492 23.299 -4.385 429 HB2 PRO 58 1HB PRO 58 -17.140 23.226 -2.032 430 HB3 PRO 58 2HB PRO 58 -17.460 24.726 -2.910 431 HG2 PRO 58 1HG PRO 58 -18.907 23.559 -0.564 432 HG3 PRO 58 2HG PRO 58 -18.430 25.241 -0.861 433 HD2 PRO 58 1HD PRO 58 -20.952 24.346 -1.279 434 HD3 PRO 58 2HD PRO 58 -20.221 25.634 -2.258 435 H GLN 59 H GLN 59 -18.283 21.235 -4.969 436 HA GLN 59 HA GLN 59 -19.003 19.116 -3.090 437 HB2 GLN 59 1HB GLN 59 -19.013 19.417 -5.987 438 HB3 GLN 59 2HB GLN 59 -18.269 17.908 -5.477 439 HG2 GLN 59 1HG GLN 59 -20.310 17.064 -5.339 440 HG3 GLN 59 2HG GLN 59 -20.558 18.093 -3.929 441 HE21 GLN 59 2HE2 GLN 59 -20.657 20.574 -5.124 442 HE22 GLN 59 1HE2 GLN 59 -22.066 20.672 -6.118 443 H ILE 60 H ILE 60 -17.549 17.859 -2.109 444 HA ILE 60 HA ILE 60 -14.735 18.105 -2.948 445 HB ILE 60 HB ILE 60 -15.827 17.494 -0.199 446 HG12 ILE 60 1HG1 ILE 60 -16.116 19.837 -0.782 447 HG13 ILE 60 2HG1 ILE 60 -14.819 19.680 0.398 448 HG21 ILE 60 1HG2 ILE 60 -12.980 17.809 -1.143 449 HG22 ILE 60 2HG2 ILE 60 -13.490 17.623 0.535 450 HG23 ILE 60 3HG2 ILE 60 -13.745 16.310 -0.615 451 HD11 ILE 60 3HD1 ILE 60 -14.765 20.726 -2.306 452 HD12 ILE 60 1HD1 ILE 60 -13.636 20.964 -0.973 453 HD13 ILE 60 2HD1 ILE 60 -13.495 19.540 -2.004 454 H PHE 61 H PHE 61 -14.433 16.373 -4.252 455 HA PHE 61 HA PHE 61 -15.382 13.749 -3.380 456 HB2 PHE 61 1HB PHE 61 -14.037 14.502 -5.982 457 HB3 PHE 61 2HB PHE 61 -14.859 12.988 -5.620 458 HD1 PHE 61 HD1 PHE 61 -17.345 13.701 -4.455 459 HD2 PHE 61 HD2 PHE 61 -15.208 15.680 -7.558 460 HE1 PHE 61 HE1 PHE 61 -19.454 14.644 -5.302 461 HE2 PHE 61 HE2 PHE 61 -17.313 16.626 -8.410 462 HZ PHE 61 HZ PHE 61 -19.440 16.109 -7.281 463 H ILE 62 H ILE 62 -14.069 12.632 -2.106 464 HA ILE 62 HA ILE 62 -11.163 12.827 -2.561 465 HB ILE 62 HB ILE 62 -12.636 12.175 -0.007 466 HG12 ILE 62 1HG1 ILE 62 -10.933 14.542 -0.813 467 HG13 ILE 62 2HG1 ILE 62 -12.673 14.553 -0.552 468 HG21 ILE 62 1HG2 ILE 62 -10.611 10.852 -0.175 469 HG22 ILE 62 2HG2 ILE 62 -9.675 12.295 -0.562 470 HG23 ILE 62 3HG2 ILE 62 -10.408 12.121 1.033 471 HD11 ILE 62 3HD1 ILE 62 -11.858 15.447 1.406 472 HD12 ILE 62 1HD1 ILE 62 -12.070 13.748 1.830 473 HD13 ILE 62 2HD1 ILE 62 -10.464 14.368 1.442 474 H GLY 63 H GLY 63 -10.415 11.104 -3.604 475 HA2 GLY 63 1HA GLY 63 -9.977 8.910 -4.128 476 HA3 GLY 63 2HA GLY 63 -10.680 8.482 -2.575 477 H SER 64 H SER 64 -12.589 7.466 -2.548 478 HA SER 64 HA SER 64 -14.138 7.407 -5.056 479 HB2 SER 64 1HB SER 64 -13.587 5.166 -3.102 480 HB3 SER 64 2HB SER 64 -14.816 5.073 -4.364 481 HG SER 64 HG SER 64 -12.474 4.308 -4.725 482 H VAL 65 H VAL 65 -14.238 8.843 -2.280 483 HA VAL 65 HA VAL 65 -17.108 8.334 -1.835 484 HB VAL 65 HB VAL 65 -15.173 9.250 0.291 485 HG11 VAL 65 1HG1 VAL 65 -17.286 8.147 1.571 486 HG12 VAL 65 2HG1 VAL 65 -17.139 9.867 1.201 487 HG13 VAL 65 3HG1 VAL 65 -18.078 8.812 0.143 488 HG21 VAL 65 3HG2 VAL 65 -14.556 7.007 -0.360 489 HG22 VAL 65 1HG2 VAL 65 -15.369 6.960 1.204 490 HG23 VAL 65 2HG2 VAL 65 -16.235 6.479 -0.255 491 H HIS 66 H HIS 66 -18.399 10.139 -1.282 492 HA HIS 66 HA HIS 66 -17.287 12.682 -2.235 493 HB2 HIS 66 1HB HIS 66 -19.263 11.886 -3.432 494 HB3 HIS 66 2HB HIS 66 -20.162 11.792 -1.920 495 HD1 HIS 66 HD1 HIS 66 -21.916 13.474 -2.831 496 HD2 HIS 66 HD2 HIS 66 -18.060 14.997 -2.559 497 HE1 HIS 66 HE1 HIS 66 -22.157 15.964 -3.090 498 H VAL 67 H VAL 67 -16.375 13.657 -0.498 499 HA VAL 67 HA VAL 67 -17.219 13.540 2.148 500 HB VAL 67 HB VAL 67 -15.733 15.744 0.716 501 HG11 VAL 67 1HG1 VAL 67 -16.347 16.917 2.562 502 HG12 VAL 67 2HG1 VAL 67 -16.601 15.467 3.536 503 HG13 VAL 67 3HG1 VAL 67 -14.966 16.062 3.247 504 HG21 VAL 67 3HG2 VAL 67 -14.214 14.072 0.653 505 HG22 VAL 67 1HG2 VAL 67 -13.934 14.555 2.326 506 HG23 VAL 67 2HG2 VAL 67 -14.979 13.180 1.967 507 H GLY 68 H GLY 68 -17.425 16.591 0.350 508 HA2 GLY 68 1HA GLY 68 -20.152 16.986 0.319 509 HA3 GLY 68 2HA GLY 68 -19.634 17.485 1.923 510 H GLY 69 H GLY 69 -18.927 19.511 2.180 511 HA2 GLY 69 1HA GLY 69 -17.748 20.941 -0.070 512 HA3 GLY 69 2HA GLY 69 -19.263 21.582 0.549 513 H CYS 70 H CYS 70 -18.462 23.500 1.319 514 HA CYS 70 HA CYS 70 -16.102 23.825 2.789 515 HB2 CYS 70 1HB CYS 70 -17.223 25.724 1.786 516 HB3 CYS 70 2HB CYS 70 -18.640 25.468 2.797 517 HG CYS 70 HG CYS 70 -17.418 26.197 5.166 518 H ASP 71 H ASP 71 -19.452 23.416 3.904 519 HA ASP 71 HA ASP 71 -18.982 23.595 6.643 520 HB2 ASP 71 1HB ASP 71 -21.221 23.483 5.403 521 HB3 ASP 71 2HB ASP 71 -21.020 21.733 5.432 522 H ASP 72 H ASP 72 -19.035 20.706 4.567 523 HA ASP 72 HA ASP 72 -18.411 18.863 6.607 524 HB2 ASP 72 1HB ASP 72 -17.910 18.682 3.628 525 HB3 ASP 72 2HB ASP 72 -17.820 17.331 4.756 526 H LEU 73 H LEU 73 -16.331 20.351 4.125 527 HA LEU 73 HA LEU 73 -13.918 19.230 4.894 528 HB2 LEU 73 1HB LEU 73 -14.589 20.824 2.917 529 HB3 LEU 73 2HB LEU 73 -14.002 22.076 4.009 530 HG LEU 73 HG LEU 73 -11.809 20.944 4.080 531 HD11 LEU 73 1HD1 LEU 73 -11.344 19.204 2.381 532 HD12 LEU 73 2HD1 LEU 73 -13.072 19.121 2.040 533 HD13 LEU 73 3HD1 LEU 73 -12.466 18.675 3.635 534 HD21 LEU 73 3HD2 LEU 73 -12.559 21.404 1.213 535 HD22 LEU 73 1HD2 LEU 73 -11.052 21.793 2.043 536 HD23 LEU 73 2HD2 LEU 73 -12.509 22.730 2.376 537 H TYR 74 H TYR 74 -15.437 22.228 6.037 538 HA TYR 74 HA TYR 74 -13.337 22.911 7.824 539 HB2 TYR 74 1HB TYR 74 -16.136 23.844 7.370 540 HB3 TYR 74 2HB TYR 74 -15.338 24.294 8.873 541 HD1 TYR 74 HD2 TYR 74 -13.845 23.943 5.483 542 HD2 TYR 74 HD1 TYR 74 -14.964 26.589 8.622 543 HE1 TYR 74 HE2 TYR 74 -12.710 25.791 4.323 544 HE2 TYR 74 HE1 TYR 74 -13.833 28.444 7.470 545 HH TYR 74 HH TYR 74 -11.649 28.297 5.451 546 H ALA 75 H ALA 75 -16.189 20.919 8.072 547 HA ALA 75 HA ALA 75 -16.184 20.741 10.928 548 HB1 ALA 75 1HB ALA 75 -17.572 19.182 8.767 549 HB2 ALA 75 2HB ALA 75 -17.728 18.773 10.476 550 HB3 ALA 75 3HB ALA 75 -18.260 20.351 9.895 551 H LEU 76 H LEU 76 -14.698 18.962 8.311 552 HA LEU 76 HA LEU 76 -13.899 16.741 9.955 553 HB2 LEU 76 1HB LEU 76 -13.411 17.602 7.142 554 HB3 LEU 76 2HB LEU 76 -12.356 16.386 7.861 555 HG LEU 76 HG LEU 76 -14.543 15.772 6.461 556 HD11 LEU 76 1HD1 LEU 76 -12.892 14.193 7.295 557 HD12 LEU 76 2HD1 LEU 76 -14.527 13.607 7.601 558 HD13 LEU 76 3HD1 LEU 76 -13.581 14.306 8.915 559 HD21 LEU 76 3HD2 LEU 76 -16.414 15.280 7.874 560 HD22 LEU 76 1HD2 LEU 76 -16.003 16.984 8.073 561 HD23 LEU 76 2HD2 LEU 76 -15.535 15.814 9.308 562 H GLU 77 H GLU 77 -12.216 19.485 8.435 563 HA GLU 77 HA GLU 77 -9.653 18.956 9.355 564 HB2 GLU 77 1HB GLU 77 -9.110 21.171 8.796 565 HB3 GLU 77 2HB GLU 77 -10.439 20.763 7.719 566 HG2 GLU 77 1HG GLU 77 -11.200 22.768 8.393 567 HG3 GLU 77 2HG GLU 77 -11.838 21.816 9.732 568 H ASP 78 H ASP 78 -12.409 20.231 11.041 569 HA ASP 78 HA ASP 78 -11.079 21.413 13.228 570 HB2 ASP 78 1HB ASP 78 -13.606 21.472 12.475 571 HB3 ASP 78 2HB ASP 78 -13.745 20.105 13.577 572 H GLU 79 H GLU 79 -11.751 18.123 12.405 573 HA GLU 79 HA GLU 79 -10.972 17.237 15.097 574 HB2 GLU 79 1HB GLU 79 -12.086 15.505 12.895 575 HB3 GLU 79 2HB GLU 79 -11.981 15.137 14.611 576 HG2 GLU 79 1HG GLU 79 -13.496 17.490 14.403 577 HG3 GLU 79 2HG GLU 79 -14.091 16.398 13.154 578 H GLY 80 H GLY 80 -9.907 17.442 11.840 579 HA2 GLY 80 1HA GLY 80 -7.751 17.079 11.045 580 HA3 GLY 80 2HA GLY 80 -7.344 16.317 12.575 581 H LYS 81 H LYS 81 -10.092 15.387 10.608 582 HA LYS 81 HA LYS 81 -8.954 12.710 10.366 583 HB2 LYS 81 1HB LYS 81 -11.728 13.694 9.673 584 HB3 LYS 81 2HB LYS 81 -11.203 12.016 9.719 585 HG2 LYS 81 1HG LYS 81 -11.054 13.775 12.142 586 HG3 LYS 81 2HG LYS 81 -12.528 12.907 11.707 587 HD2 LYS 81 1HD LYS 81 -11.567 11.352 13.074 588 HD3 LYS 81 2HD LYS 81 -10.844 10.871 11.537 589 HE2 LYS 81 1HE LYS 81 -8.781 11.709 12.091 590 HE3 LYS 81 2HE LYS 81 -9.447 12.914 13.192 591 HZ1 LYS 81 3HZ LYS 81 -9.890 10.176 13.998 592 HZ2 LYS 81 1HZ LYS 81 -9.365 11.502 14.908 593 HZ3 LYS 81 2HZ LYS 81 -8.262 10.634 13.965 594 H LEU 82 H LEU 82 -9.497 15.520 8.490 595 HA LEU 82 HA LEU 82 -9.899 14.567 5.935 596 HB2 LEU 82 1HB LEU 82 -8.231 16.885 6.886 597 HB3 LEU 82 2HB LEU 82 -8.597 16.584 5.189 598 HG LEU 82 HG LEU 82 -10.607 17.199 7.355 599 HD11 LEU 82 1HD1 LEU 82 -9.101 19.069 6.569 600 HD12 LEU 82 2HD1 LEU 82 -10.833 19.334 6.376 601 HD13 LEU 82 3HD1 LEU 82 -9.850 18.884 4.983 602 HD21 LEU 82 3HD2 LEU 82 -12.140 17.428 5.356 603 HD22 LEU 82 1HD2 LEU 82 -11.677 15.784 5.796 604 HD23 LEU 82 2HD2 LEU 82 -10.903 16.581 4.425 605 H ASP 83 H ASP 83 -6.911 14.705 7.792 606 HA ASP 83 HA ASP 83 -5.064 14.134 5.804 607 HB2 ASP 83 1HB ASP 83 -4.325 14.730 8.017 608 HB3 ASP 83 2HB ASP 83 -5.097 13.306 8.710 609 H SER 84 H SER 84 -7.049 11.913 7.721 610 HA SER 84 HA SER 84 -5.950 9.572 6.469 611 HB2 SER 84 1HB SER 84 -8.424 9.888 8.187 612 HB3 SER 84 2HB SER 84 -7.682 8.355 7.730 613 HG SER 84 HG SER 84 -6.264 8.622 9.253 614 H LEU 85 H LEU 85 -8.589 11.735 5.869 615 HA LEU 85 HA LEU 85 -10.177 10.042 4.258 616 HB2 LEU 85 1HB LEU 85 -9.978 12.944 4.777 617 HB3 LEU 85 2HB LEU 85 -10.747 12.470 3.264 618 HG LEU 85 HG LEU 85 -12.401 12.858 5.003 619 HD11 LEU 85 1HD1 LEU 85 -13.636 11.272 4.071 620 HD12 LEU 85 2HD1 LEU 85 -12.783 10.021 4.975 621 HD13 LEU 85 3HD1 LEU 85 -12.165 10.556 3.412 622 HD21 LEU 85 3HD2 LEU 85 -11.325 12.440 7.028 623 HD22 LEU 85 1HD2 LEU 85 -10.756 10.853 6.508 624 HD23 LEU 85 2HD2 LEU 85 -12.463 11.100 6.877 625 H LEU 86 H LEU 86 -7.583 12.330 3.491 626 HA LEU 86 HA LEU 86 -7.734 11.763 0.666 627 HB2 LEU 86 1HB LEU 86 -5.801 13.252 0.487 628 HB3 LEU 86 2HB LEU 86 -7.121 13.984 1.396 629 HG LEU 86 HG LEU 86 -5.764 13.125 3.469 630 HD11 LEU 86 1HD1 LEU 86 -3.300 13.739 2.128 631 HD12 LEU 86 2HD1 LEU 86 -4.067 12.332 1.392 632 HD13 LEU 86 3HD1 LEU 86 -3.719 12.343 3.121 633 HD21 LEU 86 3HD2 LEU 86 -4.246 15.330 2.882 634 HD22 LEU 86 1HD2 LEU 86 -5.856 15.354 3.602 635 HD23 LEU 86 2HD2 LEU 86 -5.666 15.559 1.861 636 H LYS 87 H LYS 87 -5.972 10.609 3.415 637 HA LYS 87 HA LYS 87 -3.838 9.394 1.941 638 HB2 LYS 87 1HB LYS 87 -4.761 9.417 4.767 639 HB3 LYS 87 2HB LYS 87 -3.768 8.056 4.261 640 HG2 LYS 87 1HG LYS 87 -2.276 10.030 3.276 641 HG3 LYS 87 2HG LYS 87 -3.059 10.908 4.593 642 HD2 LYS 87 1HD LYS 87 -1.255 10.081 5.719 643 HD3 LYS 87 2HD LYS 87 -2.375 8.737 5.951 644 HE2 LYS 87 1HE LYS 87 -1.344 7.457 4.262 645 HE3 LYS 87 2HE LYS 87 -0.463 8.849 3.635 646 HZ1 LYS 87 3HZ LYS 87 -0.009 7.696 6.330 647 HZ2 LYS 87 1HZ LYS 87 0.926 8.867 5.545 648 HZ3 LYS 87 2HZ LYS 87 0.900 7.278 4.966 649 H THR 88 H THR 88 -6.850 8.233 3.406 650 HA THR 88 HA THR 88 -6.415 5.561 2.344 651 HB THR 88 HB THR 88 -8.363 4.887 3.555 652 HG1 THR 88 HG1 THR 88 -8.867 7.673 3.720 653 HG21 THR 88 3HG2 THR 88 -6.424 5.167 4.959 654 HG22 THR 88 1HG2 THR 88 -7.849 5.695 5.852 655 HG23 THR 88 2HG2 THR 88 -6.758 6.888 5.147 656 H GLY 89 H GLY 89 -8.437 8.377 1.761 657 HA2 GLY 89 1HA GLY 89 -9.417 8.943 -0.290 658 HA3 GLY 89 2HA GLY 89 -9.129 7.304 -0.855 659 H LYS 90 H LYS 90 -10.592 7.644 2.234 660 HA LYS 90 HA LYS 90 -13.304 7.772 1.399 661 HB2 LYS 90 1HB LYS 90 -13.969 5.474 1.869 662 HB3 LYS 90 2HB LYS 90 -12.791 5.518 0.564 663 HG2 LYS 90 1HG LYS 90 -11.764 5.126 3.315 664 HG3 LYS 90 2HG LYS 90 -12.637 3.787 2.565 665 HD2 LYS 90 1HD LYS 90 -10.546 5.157 0.957 666 HD3 LYS 90 2HD LYS 90 -10.018 4.102 2.271 667 HE2 LYS 90 1HE LYS 90 -11.084 2.224 1.321 668 HE3 LYS 90 2HE LYS 90 -12.013 3.220 0.202 669 HZ1 LYS 90 3HZ LYS 90 -10.217 2.149 -0.955 670 HZ2 LYS 90 1HZ LYS 90 -9.079 2.765 0.135 671 HZ3 LYS 90 2HZ LYS 90 -9.915 3.813 -0.897 672 H LEU 91 H LEU 91 -14.784 7.019 3.276 673 HA LEU 91 HA LEU 91 -13.684 8.184 5.705 674 HB2 LEU 91 1HB LEU 91 -16.424 7.571 4.696 675 HB3 LEU 91 2HB LEU 91 -16.170 7.776 6.428 676 HG LEU 91 HG LEU 91 -15.260 9.888 4.510 677 HD11 LEU 91 1HD1 LEU 91 -17.709 9.206 4.136 678 HD12 LEU 91 2HD1 LEU 91 -17.349 10.909 4.419 679 HD13 LEU 91 3HD1 LEU 91 -17.999 9.917 5.724 680 HD21 LEU 91 3HD2 LEU 91 -14.681 10.861 6.418 681 HD22 LEU 91 1HD2 LEU 91 -15.371 9.530 7.346 682 HD23 LEU 91 2HD2 LEU 91 -16.381 10.900 6.886 683 H ILE 92 H ILE 92 -12.647 6.850 7.034 684 HA ILE 92 HA ILE 92 -12.958 4.054 7.098 685 HB ILE 92 HB ILE 92 -11.826 5.844 9.252 686 HG12 ILE 92 1HG1 ILE 92 -10.389 4.377 7.031 687 HG13 ILE 92 2HG1 ILE 92 -10.769 6.095 6.999 688 HG21 ILE 92 1HG2 ILE 92 -11.614 2.882 8.760 689 HG22 ILE 92 2HG2 ILE 92 -10.528 3.769 9.829 690 HG23 ILE 92 3HG2 ILE 92 -12.254 3.702 10.184 691 HD11 ILE 92 3HD1 ILE 92 -8.632 4.669 8.372 692 HD12 ILE 92 1HD1 ILE 92 -8.736 6.356 7.869 693 HD13 ILE 92 2HD1 ILE 92 -9.474 5.840 9.386 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -3.244 -4.434 1.661 2 HA2 GLY 1 1HA GLY 1 -2.712 -1.822 2.938 3 HA3 GLY 1 2HA GLY 1 -1.453 -2.852 2.275 4 HA PRO 2 HA PRO 2 -3.930 -0.980 -1.458 5 HB2 PRO 2 1HB PRO 2 -5.498 1.155 -0.863 6 HB3 PRO 2 2HB PRO 2 -6.095 -0.509 -0.849 7 HG2 PRO 2 1HG PRO 2 -5.215 1.208 1.440 8 HG3 PRO 2 2HG PRO 2 -6.617 0.129 1.326 9 HD2 PRO 2 1HD PRO 2 -4.335 -0.578 2.601 10 HD3 PRO 2 2HD PRO 2 -5.360 -1.755 1.756 11 H GLY 3 H GLY 3 -3.964 1.381 -2.469 12 HA2 GLY 3 1HA GLY 3 -1.372 2.369 -2.392 13 HA3 GLY 3 2HA GLY 3 -2.757 3.256 -3.012 14 H SER 4 H SER 4 -0.897 4.783 -1.956 15 HA SER 4 HA SER 4 -1.847 5.409 0.764 16 HB2 SER 4 1HB SER 4 0.552 4.731 0.625 17 HB3 SER 4 2HB SER 4 0.843 6.110 -0.436 18 HG SER 4 HG SER 4 1.143 7.158 1.357 19 H MET 5 H MET 5 -2.933 6.266 -1.861 20 HA MET 5 HA MET 5 -3.437 8.966 -1.227 21 HB2 MET 5 1HB MET 5 -1.024 8.928 -2.247 22 HB3 MET 5 2HB MET 5 -1.876 8.765 -3.776 23 HG2 MET 5 1HG MET 5 -2.798 10.867 -3.646 24 HG3 MET 5 2HG MET 5 -2.653 10.936 -1.891 25 HE1 MET 5 3HE MET 5 1.020 11.194 -4.659 26 HE2 MET 5 1HE MET 5 0.509 9.676 -3.921 27 HE3 MET 5 2HE MET 5 -0.532 10.479 -5.096 28 H VAL 6 H VAL 6 -4.999 9.925 -2.609 29 HA VAL 6 HA VAL 6 -6.056 8.225 -4.752 30 HB VAL 6 HB VAL 6 -8.390 8.742 -3.915 31 HG11 VAL 6 1HG1 VAL 6 -8.492 6.763 -2.746 32 HG12 VAL 6 2HG1 VAL 6 -6.954 6.579 -3.591 33 HG13 VAL 6 3HG1 VAL 6 -6.977 7.062 -1.895 34 HG21 VAL 6 3HG2 VAL 6 -7.288 9.044 -1.180 35 HG22 VAL 6 1HG2 VAL 6 -7.252 10.461 -2.230 36 HG23 VAL 6 2HG2 VAL 6 -8.785 9.665 -1.874 37 H ASP 7 H ASP 7 -7.277 9.322 -6.328 38 HA ASP 7 HA ASP 7 -6.464 12.003 -6.802 39 HB2 ASP 7 1HB ASP 7 -7.193 10.055 -8.451 40 HB3 ASP 7 2HB ASP 7 -8.770 10.823 -8.284 41 H VAL 8 H VAL 8 -7.341 13.828 -6.099 42 HA VAL 8 HA VAL 8 -10.056 13.738 -4.971 43 HB VAL 8 HB VAL 8 -7.924 15.823 -4.491 44 HG11 VAL 8 1HG1 VAL 8 -9.386 16.387 -2.542 45 HG12 VAL 8 2HG1 VAL 8 -10.105 16.726 -4.118 46 HG13 VAL 8 3HG1 VAL 8 -10.600 15.297 -3.210 47 HG21 VAL 8 3HG2 VAL 8 -8.751 13.520 -2.725 48 HG22 VAL 8 1HG2 VAL 8 -7.245 13.621 -3.638 49 HG23 VAL 8 2HG2 VAL 8 -7.564 14.764 -2.333 50 H ILE 9 H ILE 9 -11.647 15.006 -5.752 51 HA ILE 9 HA ILE 9 -10.946 17.018 -7.782 52 HB ILE 9 HB ILE 9 -13.355 15.217 -8.000 53 HG12 ILE 9 1HG1 ILE 9 -10.701 14.994 -9.439 54 HG13 ILE 9 2HG1 ILE 9 -11.294 13.885 -8.208 55 HG21 ILE 9 1HG2 ILE 9 -12.058 16.874 -10.144 56 HG22 ILE 9 2HG2 ILE 9 -13.662 16.145 -10.140 57 HG23 ILE 9 3HG2 ILE 9 -13.314 17.514 -9.085 58 HD11 ILE 9 3HD1 ILE 9 -11.805 12.752 -10.126 59 HD12 ILE 9 1HD1 ILE 9 -13.313 13.621 -9.837 60 HD13 ILE 9 2HD1 ILE 9 -12.162 14.223 -11.031 61 H ILE 10 H ILE 10 -11.977 18.925 -7.609 62 HA ILE 10 HA ILE 10 -14.133 19.122 -5.608 63 HB ILE 10 HB ILE 10 -12.035 20.253 -4.924 64 HG12 ILE 10 1HG1 ILE 10 -13.786 22.567 -5.384 65 HG13 ILE 10 2HG1 ILE 10 -14.616 21.160 -4.730 66 HG21 ILE 10 1HG2 ILE 10 -11.255 20.857 -7.173 67 HG22 ILE 10 2HG2 ILE 10 -12.555 22.041 -7.295 68 HG23 ILE 10 3HG2 ILE 10 -11.285 22.247 -6.088 69 HD11 ILE 10 3HD1 ILE 10 -13.348 21.172 -2.782 70 HD12 ILE 10 1HD1 ILE 10 -12.094 22.187 -3.493 71 HD13 ILE 10 2HD1 ILE 10 -13.667 22.877 -3.096 72 H TYR 11 H TYR 11 -16.008 20.049 -6.194 73 HA TYR 11 HA TYR 11 -16.174 21.141 -8.924 74 HB2 TYR 11 1HB TYR 11 -17.789 19.224 -7.481 75 HB3 TYR 11 2HB TYR 11 -18.771 20.578 -8.027 76 HD1 TYR 11 HD1 TYR 11 -15.852 18.854 -9.595 77 HD2 TYR 11 HD2 TYR 11 -19.972 19.880 -9.878 78 HE1 TYR 11 HE1 TYR 11 -15.934 17.877 -11.851 79 HE2 TYR 11 HE2 TYR 11 -20.066 18.904 -12.134 80 HH TYR 11 HH TYR 11 -18.311 18.463 -14.022 81 H THR 12 H THR 12 -16.275 23.279 -8.958 82 HA THR 12 HA THR 12 -18.146 24.651 -7.191 83 HB THR 12 HB THR 12 -16.212 24.931 -5.868 84 HG1 THR 12 HG1 THR 12 -15.979 27.280 -7.391 85 HG21 THR 12 3HG2 THR 12 -14.226 24.503 -6.797 86 HG22 THR 12 1HG2 THR 12 -14.253 26.151 -7.423 87 HG23 THR 12 2HG2 THR 12 -14.842 24.820 -8.419 88 H ARG 13 H ARG 13 -18.690 26.795 -7.908 89 HA ARG 13 HA ARG 13 -18.264 27.127 -10.797 90 HB2 ARG 13 1HB ARG 13 -20.386 27.930 -10.983 91 HB3 ARG 13 2HB ARG 13 -20.613 26.970 -9.527 92 HG2 ARG 13 1HG ARG 13 -19.919 29.206 -8.335 93 HG3 ARG 13 2HG ARG 13 -20.468 29.920 -9.853 94 HD2 ARG 13 1HD ARG 13 -22.404 28.016 -9.111 95 HD3 ARG 13 2HD ARG 13 -22.011 28.926 -7.653 96 HE ARG 13 HE ARG 13 -23.108 30.714 -8.544 97 HH11 ARG 13 1HH1 ARG 13 -22.258 28.535 -11.122 98 HH12 ARG 13 2HH1 ARG 13 -23.108 29.433 -12.336 99 HH21 ARG 13 1HH2 ARG 13 -24.231 31.904 -10.133 100 HH22 ARG 13 2HH2 ARG 13 -24.230 31.349 -11.773 101 HA PRO 14 HA PRO 14 -16.062 30.894 -10.340 102 HB2 PRO 14 1HB PRO 14 -17.076 32.417 -12.345 103 HB3 PRO 14 2HB PRO 14 -16.012 31.035 -12.632 104 HG2 PRO 14 1HG PRO 14 -18.995 31.199 -12.819 105 HG3 PRO 14 2HG PRO 14 -17.848 30.406 -13.914 106 HD2 PRO 14 1HD PRO 14 -19.283 29.040 -12.068 107 HD3 PRO 14 2HD PRO 14 -17.651 28.548 -12.564 108 H GLY 15 H GLY 15 -16.552 31.930 -8.461 109 HA2 GLY 15 1HA GLY 15 -17.326 34.103 -7.675 110 HA3 GLY 15 2HA GLY 15 -18.815 33.822 -8.564 111 H CYS 16 H CYS 16 -17.520 31.125 -6.893 112 HA CYS 16 HA CYS 16 -19.734 31.266 -4.987 113 HB2 CYS 16 1HB CYS 16 -19.386 29.213 -6.379 114 HB3 CYS 16 2HB CYS 16 -17.861 28.956 -5.537 115 HA PRO 17 HA PRO 17 -16.718 32.647 -1.970 116 HB2 PRO 17 1HB PRO 17 -18.538 33.096 -0.006 117 HB3 PRO 17 2HB PRO 17 -18.269 34.222 -1.341 118 HG2 PRO 17 1HG PRO 17 -20.416 32.163 -1.003 119 HG3 PRO 17 2HG PRO 17 -20.547 33.830 -1.594 120 HD2 PRO 17 1HD PRO 17 -20.490 31.693 -3.257 121 HD3 PRO 17 2HD PRO 17 -19.811 33.271 -3.706 122 H TYR 18 H TYR 18 -19.428 30.547 -0.969 123 HA TYR 18 HA TYR 18 -18.147 29.387 1.227 124 HB2 TYR 18 1HB TYR 18 -20.237 28.080 -0.524 125 HB3 TYR 18 2HB TYR 18 -19.873 27.692 1.154 126 HD1 TYR 18 HD1 TYR 18 -19.905 30.024 2.659 127 HD2 TYR 18 HD2 TYR 18 -22.235 29.179 -0.799 128 HE1 TYR 18 HE1 TYR 18 -21.590 31.653 3.404 129 HE2 TYR 18 HE2 TYR 18 -23.926 30.807 -0.065 130 HH TYR 18 HH TYR 18 -24.639 32.057 1.689 131 H CYS 19 H CYS 19 -17.949 28.686 -2.178 132 HA CYS 19 HA CYS 19 -16.759 26.108 -1.923 133 HB2 CYS 19 1HB CYS 19 -16.656 28.048 -4.243 134 HB3 CYS 19 2HB CYS 19 -16.244 26.338 -4.309 135 H ALA 20 H ALA 20 -15.493 29.382 -2.370 136 HA ALA 20 HA ALA 20 -12.801 28.753 -2.740 137 HB1 ALA 20 1HB ALA 20 -13.105 31.156 -1.177 138 HB2 ALA 20 2HB ALA 20 -12.596 30.963 -2.855 139 HB3 ALA 20 3HB ALA 20 -14.311 31.080 -2.462 140 H ARG 21 H ARG 21 -14.722 28.952 0.186 141 HA ARG 21 HA ARG 21 -12.653 29.031 2.073 142 HB2 ARG 21 1HB ARG 21 -15.413 27.813 2.266 143 HB3 ARG 21 2HB ARG 21 -14.338 28.056 3.636 144 HG2 ARG 21 1HG ARG 21 -15.512 30.200 1.879 145 HG3 ARG 21 2HG ARG 21 -15.974 29.824 3.540 146 HD2 ARG 21 1HD ARG 21 -13.429 30.244 4.011 147 HD3 ARG 21 2HD ARG 21 -13.514 31.154 2.503 148 HE ARG 21 HE ARG 21 -15.597 31.880 4.309 149 HH11 ARG 21 1HH1 ARG 21 -12.225 32.350 3.584 150 HH12 ARG 21 2HH1 ARG 21 -12.149 33.913 4.328 151 HH21 ARG 21 1HH2 ARG 21 -15.509 33.936 5.293 152 HH22 ARG 21 2HH2 ARG 21 -14.017 34.814 5.301 153 H ALA 22 H ALA 22 -14.423 26.235 0.755 154 HA ALA 22 HA ALA 22 -12.939 24.275 2.134 155 HB1 ALA 22 1HB ALA 22 -15.086 24.332 0.288 156 HB2 ALA 22 2HB ALA 22 -13.872 23.211 -0.331 157 HB3 ALA 22 3HB ALA 22 -14.533 22.988 1.289 158 H LYS 23 H LYS 23 -12.568 25.704 -1.085 159 HA LYS 23 HA LYS 23 -10.467 24.056 -1.968 160 HB2 LYS 23 1HB LYS 23 -11.080 26.920 -2.722 161 HB3 LYS 23 2HB LYS 23 -10.025 25.833 -3.616 162 HG2 LYS 23 1HG LYS 23 -12.496 24.510 -3.299 163 HG3 LYS 23 2HG LYS 23 -12.846 26.162 -3.815 164 HD2 LYS 23 1HD LYS 23 -10.869 24.334 -5.176 165 HD3 LYS 23 2HD LYS 23 -12.542 24.556 -5.695 166 HE2 LYS 23 1HE LYS 23 -12.161 26.664 -6.484 167 HE3 LYS 23 2HE LYS 23 -10.876 26.985 -5.320 168 HZ1 LYS 23 3HZ LYS 23 -10.122 24.901 -7.085 169 HZ2 LYS 23 1HZ LYS 23 -9.363 26.386 -6.803 170 HZ3 LYS 23 2HZ LYS 23 -10.584 26.268 -7.968 171 H ALA 24 H ALA 24 -10.327 27.369 -0.648 172 HA ALA 24 HA ALA 24 -7.536 27.531 -0.500 173 HB1 ALA 24 1HB ALA 24 -9.353 29.364 -0.234 174 HB2 ALA 24 2HB ALA 24 -9.280 28.941 1.477 175 HB3 ALA 24 3HB ALA 24 -7.833 29.515 0.648 176 H LEU 25 H LEU 25 -9.915 26.300 1.790 177 HA LEU 25 HA LEU 25 -8.148 25.986 3.977 178 HB2 LEU 25 1HB LEU 25 -10.560 26.021 4.258 179 HB3 LEU 25 2HB LEU 25 -10.709 24.543 3.310 180 HG LEU 25 HG LEU 25 -9.577 23.285 5.058 181 HD11 LEU 25 1HD1 LEU 25 -9.611 25.080 7.227 182 HD12 LEU 25 2HD1 LEU 25 -8.756 25.883 5.910 183 HD13 LEU 25 3HD1 LEU 25 -8.216 24.303 6.478 184 HD21 LEU 25 3HD2 LEU 25 -11.520 24.707 6.724 185 HD22 LEU 25 1HD2 LEU 25 -11.470 23.016 6.227 186 HD23 LEU 25 2HD2 LEU 25 -12.130 24.236 5.137 187 H LEU 26 H LEU 26 -9.027 23.919 1.273 188 HA LEU 26 HA LEU 26 -7.692 21.598 2.271 189 HB2 LEU 26 1HB LEU 26 -9.129 22.382 -0.162 190 HB3 LEU 26 2HB LEU 26 -7.836 21.214 -0.422 191 HG LEU 26 HG LEU 26 -10.098 20.827 1.535 192 HD11 LEU 26 1HD1 LEU 26 -11.281 20.665 -0.398 193 HD12 LEU 26 2HD1 LEU 26 -10.620 19.031 -0.346 194 HD13 LEU 26 3HD1 LEU 26 -9.864 20.256 -1.365 195 HD21 LEU 26 3HD2 LEU 26 -9.350 18.491 1.497 196 HD22 LEU 26 1HD2 LEU 26 -8.089 19.575 2.084 197 HD23 LEU 26 2HD2 LEU 26 -8.012 18.942 0.439 198 H ALA 27 H ALA 27 -6.819 24.279 0.179 199 HA ALA 27 HA ALA 27 -4.334 23.154 -0.681 200 HB1 ALA 27 1HB ALA 27 -3.917 25.248 -1.724 201 HB2 ALA 27 2HB ALA 27 -5.639 24.912 -1.913 202 HB3 ALA 27 3HB ALA 27 -5.094 26.067 -0.696 203 H ARG 28 H ARG 28 -5.391 24.961 2.079 204 HA ARG 28 HA ARG 28 -2.955 26.090 2.893 205 HB2 ARG 28 1HB ARG 28 -5.307 26.522 3.809 206 HB3 ARG 28 2HB ARG 28 -5.067 25.080 4.788 207 HG2 ARG 28 1HG ARG 28 -2.973 26.185 5.671 208 HG3 ARG 28 2HG ARG 28 -3.539 27.662 4.889 209 HD2 ARG 28 1HD ARG 28 -5.630 27.516 6.184 210 HD3 ARG 28 2HD ARG 28 -5.008 26.079 6.994 211 HE ARG 28 HE ARG 28 -3.804 27.446 8.363 212 HH11 ARG 28 1HH1 ARG 28 -4.632 29.213 5.480 213 HH12 ARG 28 2HH1 ARG 28 -3.980 30.712 6.055 214 HH21 ARG 28 1HH2 ARG 28 -2.943 29.413 9.131 215 HH22 ARG 28 2HH2 ARG 28 -3.019 30.825 8.132 216 H LYS 29 H LYS 29 -4.148 22.846 3.033 217 HA LYS 29 HA LYS 29 -1.967 22.042 4.824 218 HB2 LYS 29 1HB LYS 29 -3.200 19.803 4.760 219 HB3 LYS 29 2HB LYS 29 -3.996 21.132 5.593 220 HG2 LYS 29 1HG LYS 29 -5.416 21.522 3.664 221 HG3 LYS 29 2HG LYS 29 -4.590 20.237 2.779 222 HD2 LYS 29 1HD LYS 29 -6.718 19.461 3.705 223 HD3 LYS 29 2HD LYS 29 -5.353 18.603 4.424 224 HE2 LYS 29 1HE LYS 29 -6.293 21.050 5.805 225 HE3 LYS 29 2HE LYS 29 -7.346 19.637 5.873 226 HZ1 LYS 29 3HZ LYS 29 -6.040 18.751 7.405 227 HZ2 LYS 29 1HZ LYS 29 -5.087 20.149 7.407 228 HZ3 LYS 29 2HZ LYS 29 -4.690 18.856 6.391 229 H GLY 30 H GLY 30 -2.352 22.520 1.649 230 HA2 GLY 30 1HA GLY 30 -0.843 21.923 -0.034 231 HA3 GLY 30 2HA GLY 30 -0.251 20.623 0.990 232 H ALA 31 H ALA 31 -3.380 20.131 1.259 233 HA ALA 31 HA ALA 31 -3.523 17.836 -0.263 234 HB1 ALA 31 1HB ALA 31 -5.089 18.526 1.564 235 HB2 ALA 31 2HB ALA 31 -5.894 19.573 0.394 236 HB3 ALA 31 3HB ALA 31 -5.870 17.827 0.146 237 H GLU 32 H GLU 32 -3.355 17.584 -2.386 238 HA GLU 32 HA GLU 32 -4.047 19.750 -4.190 239 HB2 GLU 32 1HB GLU 32 -2.552 17.184 -4.412 240 HB3 GLU 32 2HB GLU 32 -3.278 17.836 -5.874 241 HG2 GLU 32 1HG GLU 32 -1.324 19.265 -4.086 242 HG3 GLU 32 2HG GLU 32 -0.958 18.525 -5.643 243 H PHE 33 H PHE 33 -5.625 19.683 -5.764 244 HA PHE 33 HA PHE 33 -7.293 17.349 -6.090 245 HB2 PHE 33 1HB PHE 33 -9.390 18.614 -5.510 246 HB3 PHE 33 2HB PHE 33 -8.362 18.227 -4.134 247 HD1 PHE 33 HD1 PHE 33 -9.311 20.940 -6.464 248 HD2 PHE 33 HD2 PHE 33 -7.524 19.912 -2.740 249 HE1 PHE 33 HE1 PHE 33 -9.277 23.316 -5.829 250 HE2 PHE 33 HE2 PHE 33 -7.488 22.287 -2.098 251 HZ PHE 33 HZ PHE 33 -8.366 23.993 -3.643 252 H ASN 34 H ASN 34 -8.811 17.561 -7.840 253 HA ASN 34 HA ASN 34 -7.840 19.381 -9.881 254 HB2 ASN 34 1HB ASN 34 -8.469 16.835 -10.121 255 HB3 ASN 34 2HB ASN 34 -10.098 17.470 -10.337 256 HD21 ASN 34 2HD2 ASN 34 -9.645 16.324 -12.442 257 HD22 ASN 34 1HD2 ASN 34 -8.972 17.280 -13.714 258 H GLU 35 H GLU 35 -8.751 21.274 -10.302 259 HA GLU 35 HA GLU 35 -11.290 21.965 -9.093 260 HB2 GLU 35 1HB GLU 35 -9.438 23.569 -9.034 261 HB3 GLU 35 2HB GLU 35 -9.400 23.603 -10.792 262 HG2 GLU 35 1HG GLU 35 -11.877 24.346 -10.571 263 HG3 GLU 35 2HG GLU 35 -11.414 24.763 -8.922 264 H ILE 36 H ILE 36 -13.157 21.609 -10.075 265 HA ILE 36 HA ILE 36 -13.316 21.948 -12.989 266 HB ILE 36 HB ILE 36 -14.638 19.691 -11.479 267 HG12 ILE 36 1HG1 ILE 36 -12.319 19.639 -13.423 268 HG13 ILE 36 2HG1 ILE 36 -12.209 19.360 -11.689 269 HG21 ILE 36 1HG2 ILE 36 -14.579 20.381 -14.413 270 HG22 ILE 36 2HG2 ILE 36 -15.233 18.888 -13.740 271 HG23 ILE 36 3HG2 ILE 36 -15.978 20.436 -13.341 272 HD11 ILE 36 3HD1 ILE 36 -12.765 17.509 -13.777 273 HD12 ILE 36 1HD1 ILE 36 -12.537 17.209 -12.054 274 HD13 ILE 36 2HD1 ILE 36 -14.145 17.576 -12.681 275 H ASP 37 H ASP 37 -15.297 22.681 -13.778 276 HA ASP 37 HA ASP 37 -17.057 23.835 -11.727 277 HB2 ASP 37 1HB ASP 37 -16.740 24.597 -14.638 278 HB3 ASP 37 2HB ASP 37 -17.774 25.412 -13.467 279 H ALA 38 H ALA 38 -19.314 23.685 -11.923 280 HA ALA 38 HA ALA 38 -20.225 21.462 -13.630 281 HB1 ALA 38 1HB ALA 38 -22.058 22.038 -11.503 282 HB2 ALA 38 2HB ALA 38 -21.176 20.549 -11.846 283 HB3 ALA 38 3HB ALA 38 -20.435 21.804 -10.852 284 H SER 39 H SER 39 -20.901 24.714 -12.508 285 HA SER 39 HA SER 39 -23.467 25.017 -13.612 286 HB2 SER 39 1HB SER 39 -21.425 27.227 -13.344 287 HB3 SER 39 2HB SER 39 -23.182 27.363 -13.278 288 HG SER 39 HG SER 39 -23.180 26.665 -11.265 289 H ALA 40 H ALA 40 -20.405 24.784 -15.091 290 HA ALA 40 HA ALA 40 -20.595 26.358 -17.348 291 HB1 ALA 40 1HB ALA 40 -19.470 23.563 -17.305 292 HB2 ALA 40 2HB ALA 40 -19.023 24.884 -18.386 293 HB3 ALA 40 3HB ALA 40 -18.631 24.979 -16.670 294 H THR 41 H THR 41 -22.075 23.222 -16.713 295 HA THR 41 HA THR 41 -23.732 23.600 -19.114 296 HB THR 41 HB THR 41 -23.689 20.917 -19.020 297 HG1 THR 41 HG1 THR 41 -21.352 20.423 -18.733 298 HG21 THR 41 3HG2 THR 41 -21.540 22.532 -20.391 299 HG22 THR 41 1HG2 THR 41 -23.203 22.405 -20.961 300 HG23 THR 41 2HG2 THR 41 -22.181 20.969 -20.896 301 HA PRO 42 HA PRO 42 -27.214 22.762 -16.576 302 HB2 PRO 42 1HB PRO 42 -28.833 21.390 -18.268 303 HB3 PRO 42 2HB PRO 42 -28.523 23.123 -18.429 304 HG2 PRO 42 1HG PRO 42 -27.288 20.833 -19.909 305 HG3 PRO 42 2HG PRO 42 -27.851 22.394 -20.533 306 HD2 PRO 42 1HD PRO 42 -25.238 21.873 -20.055 307 HD3 PRO 42 2HD PRO 42 -25.939 23.493 -19.864 308 H GLU 43 H GLU 43 -26.142 19.924 -18.440 309 HA GLU 43 HA GLU 43 -27.360 17.979 -16.824 310 HB2 GLU 43 1HB GLU 43 -26.557 17.404 -19.021 311 HB3 GLU 43 2HB GLU 43 -24.909 17.832 -18.582 312 HG2 GLU 43 1HG GLU 43 -24.717 15.965 -17.134 313 HG3 GLU 43 2HG GLU 43 -26.442 15.619 -17.249 314 H LEU 44 H LEU 44 -24.017 19.205 -16.803 315 HA LEU 44 HA LEU 44 -23.116 17.678 -14.633 316 HB2 LEU 44 1HB LEU 44 -22.232 20.216 -15.925 317 HB3 LEU 44 2HB LEU 44 -21.499 19.730 -14.398 318 HG LEU 44 HG LEU 44 -21.484 18.106 -16.942 319 HD11 LEU 44 1HD1 LEU 44 -19.530 19.036 -17.498 320 HD12 LEU 44 2HD1 LEU 44 -18.954 19.054 -15.832 321 HD13 LEU 44 3HD1 LEU 44 -20.007 20.343 -16.414 322 HD21 LEU 44 3HD2 LEU 44 -19.513 17.266 -15.122 323 HD22 LEU 44 1HD2 LEU 44 -20.949 16.387 -15.647 324 HD23 LEU 44 2HD2 LEU 44 -21.015 17.402 -14.206 325 H ARG 45 H ARG 45 -25.083 20.515 -14.771 326 HA ARG 45 HA ARG 45 -24.663 21.225 -11.998 327 HB2 ARG 45 1HB ARG 45 -25.100 22.977 -13.655 328 HB3 ARG 45 2HB ARG 45 -26.661 22.254 -14.021 329 HG2 ARG 45 1HG ARG 45 -27.466 22.759 -11.808 330 HG3 ARG 45 2HG ARG 45 -25.877 23.362 -11.334 331 HD2 ARG 45 1HD ARG 45 -27.090 25.296 -11.816 332 HD3 ARG 45 2HD ARG 45 -26.144 25.014 -13.277 333 HE ARG 45 HE ARG 45 -28.782 23.856 -13.330 334 HH11 ARG 45 1HH1 ARG 45 -26.858 26.681 -13.994 335 HH12 ARG 45 2HH1 ARG 45 -27.968 27.323 -15.159 336 HH21 ARG 45 1HH2 ARG 45 -30.251 24.691 -14.862 337 HH22 ARG 45 2HH2 ARG 45 -29.898 26.191 -15.651 338 H ALA 46 H ALA 46 -26.960 19.420 -13.909 339 HA ALA 46 HA ALA 46 -29.053 19.298 -12.014 340 HB1 ALA 46 1HB ALA 46 -29.824 18.651 -14.051 341 HB2 ALA 46 2HB ALA 46 -28.329 17.818 -14.479 342 HB3 ALA 46 3HB ALA 46 -29.479 17.057 -13.379 343 H GLU 47 H GLU 47 -26.544 16.896 -12.839 344 HA GLU 47 HA GLU 47 -27.203 15.135 -10.724 345 HB2 GLU 47 1HB GLU 47 -25.210 13.940 -11.298 346 HB3 GLU 47 2HB GLU 47 -25.939 14.510 -12.793 347 HG2 GLU 47 1HG GLU 47 -24.341 16.451 -12.700 348 HG3 GLU 47 2HG GLU 47 -23.526 15.610 -11.383 349 H MET 48 H MET 48 -25.045 17.877 -10.986 350 HA MET 48 HA MET 48 -23.623 17.396 -8.567 351 HB2 MET 48 1HB MET 48 -22.616 18.794 -10.237 352 HB3 MET 48 2HB MET 48 -23.996 19.883 -10.236 353 HG2 MET 48 1HG MET 48 -23.118 19.852 -7.600 354 HG3 MET 48 2HG MET 48 -21.647 19.883 -8.570 355 HE1 MET 48 3HE MET 48 -24.891 21.258 -7.643 356 HE2 MET 48 1HE MET 48 -24.077 22.644 -6.917 357 HE3 MET 48 2HE MET 48 -25.045 22.855 -8.376 358 H GLN 49 H GLN 49 -26.365 19.485 -9.420 359 HA GLN 49 HA GLN 49 -26.687 20.432 -6.728 360 HB2 GLN 49 1HB GLN 49 -28.342 21.815 -7.553 361 HB3 GLN 49 2HB GLN 49 -27.348 21.577 -8.984 362 HG2 GLN 49 1HG GLN 49 -28.921 19.722 -9.629 363 HG3 GLN 49 2HG GLN 49 -29.970 20.273 -8.323 364 HE21 GLN 49 2HE2 GLN 49 -29.685 22.994 -8.530 365 HE22 GLN 49 1HE2 GLN 49 -30.349 23.532 -10.031 366 H GLU 50 H GLU 50 -27.633 17.652 -8.435 367 HA GLU 50 HA GLU 50 -30.076 17.109 -7.069 368 HB2 GLU 50 1HB GLU 50 -29.700 16.052 -9.186 369 HB3 GLU 50 2HB GLU 50 -28.185 15.353 -8.633 370 HG2 GLU 50 1HG GLU 50 -29.276 13.799 -7.256 371 HG3 GLU 50 2HG GLU 50 -30.810 14.661 -7.361 372 H ARG 51 H ARG 51 -26.775 15.813 -6.728 373 HA ARG 51 HA ARG 51 -27.297 14.173 -4.516 374 HB2 ARG 51 1HB ARG 51 -24.698 15.549 -5.220 375 HB3 ARG 51 2HB ARG 51 -24.881 14.145 -4.176 376 HG2 ARG 51 1HG ARG 51 -25.244 12.716 -5.923 377 HG3 ARG 51 2HG ARG 51 -25.899 13.982 -6.964 378 HD2 ARG 51 1HD ARG 51 -23.707 14.888 -7.334 379 HD3 ARG 51 2HD ARG 51 -23.005 13.792 -6.145 380 HE ARG 51 HE ARG 51 -24.238 12.229 -8.085 381 HH11 ARG 51 1HH1 ARG 51 -21.604 14.494 -7.854 382 HH12 ARG 51 2HH1 ARG 51 -20.694 13.766 -9.136 383 HH21 ARG 51 1HH2 ARG 51 -23.050 11.262 -9.774 384 HH22 ARG 51 2HH2 ARG 51 -21.518 11.928 -10.228 385 H SER 52 H SER 52 -26.473 17.579 -4.752 386 HA SER 52 HA SER 52 -26.111 17.900 -1.914 387 HB2 SER 52 1HB SER 52 -25.457 20.058 -2.383 388 HB3 SER 52 2HB SER 52 -25.145 19.308 -3.948 389 HG SER 52 HG SER 52 -26.503 21.376 -3.720 390 H GLY 53 H GLY 53 -28.676 18.458 -4.261 391 HA2 GLY 53 1HA GLY 53 -30.955 18.617 -3.897 392 HA3 GLY 53 2HA GLY 53 -30.655 18.439 -2.174 393 H ARG 54 H ARG 54 -28.874 20.883 -3.799 394 HA ARG 54 HA ARG 54 -30.809 22.947 -3.037 395 HB2 ARG 54 1HB ARG 54 -27.891 23.003 -2.244 396 HB3 ARG 54 2HB ARG 54 -29.071 24.271 -1.938 397 HG2 ARG 54 1HG ARG 54 -29.497 21.502 -0.890 398 HG3 ARG 54 2HG ARG 54 -28.461 22.649 -0.038 399 HD2 ARG 54 1HD ARG 54 -30.374 24.261 -0.059 400 HD3 ARG 54 2HD ARG 54 -31.381 22.968 -0.710 401 HE ARG 54 HE ARG 54 -30.131 22.059 1.633 402 HH11 ARG 54 1HH1 ARG 54 -32.568 24.321 0.601 403 HH12 ARG 54 2HH1 ARG 54 -33.462 24.235 2.083 404 HH21 ARG 54 1HH2 ARG 54 -31.299 21.936 3.588 405 HH22 ARG 54 2HH2 ARG 54 -32.738 22.878 3.782 406 H ASN 55 H ASN 55 -29.816 25.190 -3.740 407 HA ASN 55 HA ASN 55 -29.804 25.353 -6.461 408 HB2 ASN 55 1HB ASN 55 -28.343 27.159 -4.522 409 HB3 ASN 55 2HB ASN 55 -28.689 27.562 -6.201 410 HD21 ASN 55 2HD2 ASN 55 -30.013 27.102 -3.029 411 HD22 ASN 55 1HD2 ASN 55 -31.556 27.813 -3.347 412 H THR 56 H THR 56 -26.785 26.008 -4.707 413 HA THR 56 HA THR 56 -25.301 24.090 -6.260 414 HB THR 56 HB THR 56 -24.354 26.907 -6.612 415 HG1 THR 56 HG1 THR 56 -26.076 27.308 -7.773 416 HG21 THR 56 3HG2 THR 56 -23.111 24.685 -7.202 417 HG22 THR 56 1HG2 THR 56 -23.068 26.041 -8.328 418 HG23 THR 56 2HG2 THR 56 -24.169 24.692 -8.612 419 H PHE 57 H PHE 57 -23.556 23.419 -5.161 420 HA PHE 57 HA PHE 57 -22.294 25.174 -3.206 421 HB2 PHE 57 1HB PHE 57 -22.812 23.991 -1.333 422 HB3 PHE 57 2HB PHE 57 -24.230 23.550 -2.277 423 HD1 PHE 57 HD2 PHE 57 -23.653 21.469 -3.957 424 HD2 PHE 57 HD1 PHE 57 -21.844 22.271 -0.188 425 HE1 PHE 57 HE2 PHE 57 -23.056 19.092 -3.741 426 HE2 PHE 57 HE1 PHE 57 -21.244 19.895 0.033 427 HZ PHE 57 HZ PHE 57 -21.851 18.302 -1.744 428 HA PRO 58 HA PRO 58 -18.573 23.183 -4.398 429 HB2 PRO 58 1HB PRO 58 -17.191 23.038 -2.065 430 HB3 PRO 58 2HB PRO 58 -17.467 24.557 -2.926 431 HG2 PRO 58 1HG PRO 58 -18.924 23.424 -0.569 432 HG3 PRO 58 2HG PRO 58 -18.388 25.089 -0.858 433 HD2 PRO 58 1HD PRO 58 -20.947 24.294 -1.247 434 HD3 PRO 58 2HD PRO 58 -20.182 25.562 -2.226 435 H GLN 59 H GLN 59 -18.172 21.132 -4.916 436 HA GLN 59 HA GLN 59 -18.995 19.019 -3.045 437 HB2 GLN 59 1HB GLN 59 -19.147 19.324 -5.946 438 HB3 GLN 59 2HB GLN 59 -18.461 17.780 -5.457 439 HG2 GLN 59 1HG GLN 59 -20.512 17.027 -5.140 440 HG3 GLN 59 2HG GLN 59 -20.688 18.173 -3.813 441 HE21 GLN 59 2HE2 GLN 59 -20.717 20.554 -5.190 442 HE22 GLN 59 1HE2 GLN 59 -22.139 20.634 -6.167 443 H ILE 60 H ILE 60 -17.516 17.734 -2.145 444 HA ILE 60 HA ILE 60 -14.760 17.870 -3.182 445 HB ILE 60 HB ILE 60 -15.771 17.576 -0.362 446 HG12 ILE 60 1HG1 ILE 60 -14.031 19.448 -0.077 447 HG13 ILE 60 2HG1 ILE 60 -14.031 19.547 -1.834 448 HG21 ILE 60 1HG2 ILE 60 -13.035 16.965 -1.452 449 HG22 ILE 60 2HG2 ILE 60 -13.341 17.307 0.250 450 HG23 ILE 60 3HG2 ILE 60 -14.095 15.910 -0.519 451 HD11 ILE 60 3HD1 ILE 60 -15.520 21.168 -0.593 452 HD12 ILE 60 1HD1 ILE 60 -16.269 20.245 -1.896 453 HD13 ILE 60 2HD1 ILE 60 -16.544 19.783 -0.216 454 H PHE 61 H PHE 61 -14.588 16.095 -4.442 455 HA PHE 61 HA PHE 61 -15.590 13.533 -3.458 456 HB2 PHE 61 1HB PHE 61 -14.308 14.127 -6.129 457 HB3 PHE 61 2HB PHE 61 -15.239 12.699 -5.689 458 HD1 PHE 61 HD1 PHE 61 -17.634 13.573 -4.525 459 HD2 PHE 61 HD2 PHE 61 -15.413 15.432 -7.644 460 HE1 PHE 61 HE1 PHE 61 -19.687 14.663 -5.333 461 HE2 PHE 61 HE2 PHE 61 -17.462 16.526 -8.456 462 HZ PHE 61 HZ PHE 61 -19.602 16.142 -7.300 463 H ILE 62 H ILE 62 -14.271 12.383 -2.220 464 HA ILE 62 HA ILE 62 -11.382 12.453 -2.797 465 HB ILE 62 HB ILE 62 -12.770 11.918 -0.169 466 HG12 ILE 62 1HG1 ILE 62 -11.003 14.194 -1.094 467 HG13 ILE 62 2HG1 ILE 62 -12.732 14.285 -0.777 468 HG21 ILE 62 1HG2 ILE 62 -9.832 11.907 -0.848 469 HG22 ILE 62 2HG2 ILE 62 -10.504 11.798 0.779 470 HG23 ILE 62 3HG2 ILE 62 -10.808 10.511 -0.388 471 HD11 ILE 62 3HD1 ILE 62 -12.105 13.525 1.602 472 HD12 ILE 62 1HD1 ILE 62 -10.473 14.023 1.157 473 HD13 ILE 62 2HD1 ILE 62 -11.792 15.194 1.126 474 H GLY 63 H GLY 63 -10.824 10.690 -3.904 475 HA2 GLY 63 1HA GLY 63 -10.506 8.472 -4.411 476 HA3 GLY 63 2HA GLY 63 -11.069 8.102 -2.788 477 H SER 64 H SER 64 -12.994 7.146 -2.555 478 HA SER 64 HA SER 64 -14.773 7.072 -4.904 479 HB2 SER 64 1HB SER 64 -13.653 4.900 -4.507 480 HB3 SER 64 2HB SER 64 -14.328 4.864 -2.878 481 HG SER 64 HG SER 64 -15.562 3.668 -4.440 482 H VAL 65 H VAL 65 -14.599 8.659 -2.250 483 HA VAL 65 HA VAL 65 -17.409 8.218 -1.474 484 HB VAL 65 HB VAL 65 -15.252 9.258 0.363 485 HG11 VAL 65 1HG1 VAL 65 -17.037 8.559 2.072 486 HG12 VAL 65 2HG1 VAL 65 -17.310 10.036 1.146 487 HG13 VAL 65 3HG1 VAL 65 -18.146 8.548 0.702 488 HG21 VAL 65 3HG2 VAL 65 -14.575 7.068 0.136 489 HG22 VAL 65 1HG2 VAL 65 -15.728 6.932 1.464 490 HG23 VAL 65 2HG2 VAL 65 -16.210 6.481 -0.171 491 H HIS 66 H HIS 66 -18.638 10.064 -0.953 492 HA HIS 66 HA HIS 66 -17.605 12.530 -2.167 493 HB2 HIS 66 1HB HIS 66 -19.693 11.587 -3.109 494 HB3 HIS 66 2HB HIS 66 -20.463 11.763 -1.535 495 HD1 HIS 66 HD1 HIS 66 -22.200 13.331 -2.781 496 HD2 HIS 66 HD2 HIS 66 -18.311 14.778 -2.577 497 HE1 HIS 66 HE1 HIS 66 -22.364 15.779 -3.332 498 H VAL 67 H VAL 67 -16.551 13.593 -0.562 499 HA VAL 67 HA VAL 67 -17.185 13.664 2.137 500 HB VAL 67 HB VAL 67 -15.838 15.773 0.449 501 HG11 VAL 67 1HG1 VAL 67 -16.481 16.983 2.321 502 HG12 VAL 67 2HG1 VAL 67 -16.299 15.600 3.402 503 HG13 VAL 67 3HG1 VAL 67 -14.871 16.413 2.760 504 HG21 VAL 67 3HG2 VAL 67 -14.942 13.331 1.875 505 HG22 VAL 67 1HG2 VAL 67 -14.370 14.036 0.363 506 HG23 VAL 67 2HG2 VAL 67 -13.873 14.733 1.905 507 H GLY 68 H GLY 68 -17.567 16.583 0.156 508 HA2 GLY 68 1HA GLY 68 -20.241 17.032 0.207 509 HA3 GLY 68 2HA GLY 68 -19.741 17.471 1.834 510 H GLY 69 H GLY 69 -19.472 19.581 2.071 511 HA2 GLY 69 1HA GLY 69 -18.106 21.067 -0.068 512 HA3 GLY 69 2HA GLY 69 -19.647 21.657 0.535 513 H CYS 70 H CYS 70 -18.876 23.575 1.356 514 HA CYS 70 HA CYS 70 -16.569 23.943 2.862 515 HB2 CYS 70 1HB CYS 70 -17.624 26.013 3.675 516 HB3 CYS 70 2HB CYS 70 -17.853 25.807 1.942 517 HG CYS 70 HG CYS 70 -20.507 24.716 2.383 518 H ASP 71 H ASP 71 -19.736 22.802 3.815 519 HA ASP 71 HA ASP 71 -19.360 23.038 6.619 520 HB2 ASP 71 1HB ASP 71 -21.590 22.832 5.609 521 HB3 ASP 71 2HB ASP 71 -21.198 21.203 5.066 522 H ASP 72 H ASP 72 -19.064 20.287 4.384 523 HA ASP 72 HA ASP 72 -18.191 18.452 6.362 524 HB2 ASP 72 1HB ASP 72 -17.971 18.436 3.350 525 HB3 ASP 72 2HB ASP 72 -17.437 17.097 4.363 526 H LEU 73 H LEU 73 -16.524 20.646 4.179 527 HA LEU 73 HA LEU 73 -13.914 19.653 4.564 528 HB2 LEU 73 1HB LEU 73 -15.035 21.537 2.970 529 HB3 LEU 73 2HB LEU 73 -14.199 22.551 4.144 530 HG LEU 73 HG LEU 73 -12.889 22.119 2.087 531 HD11 LEU 73 1HD1 LEU 73 -11.999 21.506 4.825 532 HD12 LEU 73 2HD1 LEU 73 -11.384 22.682 3.663 533 HD13 LEU 73 3HD1 LEU 73 -10.917 20.986 3.533 534 HD21 LEU 73 3HD2 LEU 73 -13.822 19.701 1.966 535 HD22 LEU 73 1HD2 LEU 73 -12.475 19.313 3.037 536 HD23 LEU 73 2HD2 LEU 73 -12.165 20.016 1.449 537 H TYR 74 H TYR 74 -15.616 22.377 6.105 538 HA TYR 74 HA TYR 74 -13.510 22.955 7.923 539 HB2 TYR 74 1HB TYR 74 -16.381 23.777 7.682 540 HB3 TYR 74 2HB TYR 74 -15.490 24.157 9.151 541 HD1 TYR 74 HD1 TYR 74 -14.590 24.228 5.520 542 HD2 TYR 74 HD2 TYR 74 -14.906 26.387 9.173 543 HE1 TYR 74 HE1 TYR 74 -13.640 26.214 4.422 544 HE2 TYR 74 HE2 TYR 74 -13.957 28.378 8.085 545 HH TYR 74 HH TYR 74 -12.669 28.256 4.832 546 H ALA 75 H ALA 75 -16.297 20.849 8.010 547 HA ALA 75 HA ALA 75 -16.199 20.342 10.823 548 HB1 ALA 75 1HB ALA 75 -17.574 18.929 8.549 549 HB2 ALA 75 2HB ALA 75 -17.717 18.425 10.233 550 HB3 ALA 75 3HB ALA 75 -18.285 20.019 9.739 551 H LEU 76 H LEU 76 -14.734 18.922 7.983 552 HA LEU 76 HA LEU 76 -13.812 16.565 9.350 553 HB2 LEU 76 1HB LEU 76 -13.481 17.732 6.632 554 HB3 LEU 76 2HB LEU 76 -12.322 16.520 7.174 555 HG LEU 76 HG LEU 76 -14.570 15.939 5.823 556 HD11 LEU 76 1HD1 LEU 76 -12.972 14.401 7.821 557 HD12 LEU 76 2HD1 LEU 76 -13.024 14.248 6.065 558 HD13 LEU 76 3HD1 LEU 76 -14.365 13.651 7.042 559 HD21 LEU 76 3HD2 LEU 76 -15.944 16.817 7.730 560 HD22 LEU 76 1HD2 LEU 76 -15.329 15.479 8.701 561 HD23 LEU 76 2HD2 LEU 76 -16.295 15.152 7.261 562 H GLU 77 H GLU 77 -12.489 19.699 8.461 563 HA GLU 77 HA GLU 77 -9.790 19.146 9.070 564 HB2 GLU 77 1HB GLU 77 -11.284 21.358 8.162 565 HB3 GLU 77 2HB GLU 77 -10.457 21.891 9.618 566 HG2 GLU 77 1HG GLU 77 -8.491 20.541 8.259 567 HG3 GLU 77 2HG GLU 77 -9.403 21.323 6.969 568 H ASP 78 H ASP 78 -12.427 20.515 11.004 569 HA ASP 78 HA ASP 78 -10.986 21.121 13.309 570 HB2 ASP 78 1HB ASP 78 -13.513 21.516 12.638 571 HB3 ASP 78 2HB ASP 78 -13.758 20.032 13.556 572 H GLU 79 H GLU 79 -12.018 18.067 12.044 573 HA GLU 79 HA GLU 79 -11.463 16.691 14.558 574 HB2 GLU 79 1HB GLU 79 -12.428 15.614 11.903 575 HB3 GLU 79 2HB GLU 79 -12.260 14.677 13.380 576 HG2 GLU 79 1HG GLU 79 -13.845 16.900 14.033 577 HG3 GLU 79 2HG GLU 79 -14.449 16.286 12.494 578 H GLY 80 H GLY 80 -9.956 17.455 11.571 579 HA2 GLY 80 1HA GLY 80 -7.779 17.107 10.891 580 HA3 GLY 80 2HA GLY 80 -7.485 16.285 12.416 581 H LYS 81 H LYS 81 -10.086 15.252 10.365 582 HA LYS 81 HA LYS 81 -8.703 12.713 9.949 583 HB2 LYS 81 1HB LYS 81 -11.581 13.427 9.363 584 HB3 LYS 81 2HB LYS 81 -10.881 11.814 9.368 585 HG2 LYS 81 1HG LYS 81 -10.879 13.544 11.818 586 HG3 LYS 81 2HG LYS 81 -12.251 12.516 11.396 587 HD2 LYS 81 1HD LYS 81 -11.108 11.038 12.691 588 HD3 LYS 81 2HD LYS 81 -10.301 10.712 11.154 589 HE2 LYS 81 1HE LYS 81 -8.749 12.696 11.990 590 HE3 LYS 81 2HE LYS 81 -9.312 12.140 13.565 591 HZ1 LYS 81 3HZ LYS 81 -8.643 9.841 12.302 592 HZ2 LYS 81 1HZ LYS 81 -7.666 10.667 13.408 593 HZ3 LYS 81 2HZ LYS 81 -7.457 10.912 11.748 594 H LEU 82 H LEU 82 -9.698 15.530 8.235 595 HA LEU 82 HA LEU 82 -10.025 14.634 5.647 596 HB2 LEU 82 1HB LEU 82 -10.043 17.038 6.751 597 HB3 LEU 82 2HB LEU 82 -8.411 17.092 6.088 598 HG LEU 82 HG LEU 82 -9.600 16.405 3.864 599 HD11 LEU 82 1HD1 LEU 82 -11.850 17.150 3.635 600 HD12 LEU 82 2HD1 LEU 82 -11.867 17.795 5.276 601 HD13 LEU 82 3HD1 LEU 82 -11.792 16.053 5.015 602 HD21 LEU 82 3HD2 LEU 82 -8.487 18.437 3.869 603 HD22 LEU 82 1HD2 LEU 82 -9.484 19.097 5.165 604 HD23 LEU 82 2HD2 LEU 82 -10.153 18.915 3.543 605 H ASP 83 H ASP 83 -7.041 15.186 7.435 606 HA ASP 83 HA ASP 83 -5.229 14.931 5.315 607 HB2 ASP 83 1HB ASP 83 -5.096 14.708 8.267 608 HB3 ASP 83 2HB ASP 83 -3.792 13.936 7.370 609 H SER 84 H SER 84 -6.719 12.501 7.403 610 HA SER 84 HA SER 84 -5.259 10.331 6.190 611 HB2 SER 84 1HB SER 84 -7.416 10.529 8.271 612 HB3 SER 84 2HB SER 84 -7.015 8.968 7.555 613 HG SER 84 HG SER 84 -5.343 8.915 8.808 614 H LEU 85 H LEU 85 -8.282 11.950 5.702 615 HA LEU 85 HA LEU 85 -9.562 9.880 4.217 616 HB2 LEU 85 1HB LEU 85 -10.093 12.670 4.928 617 HB3 LEU 85 2HB LEU 85 -10.730 12.195 3.355 618 HG LEU 85 HG LEU 85 -12.363 12.005 5.222 619 HD11 LEU 85 1HD1 LEU 85 -12.399 9.263 4.606 620 HD12 LEU 85 2HD1 LEU 85 -11.723 10.085 3.201 621 HD13 LEU 85 3HD1 LEU 85 -13.301 10.563 3.826 622 HD21 LEU 85 3HD2 LEU 85 -10.292 10.955 6.645 623 HD22 LEU 85 1HD2 LEU 85 -11.190 9.504 6.199 624 HD23 LEU 85 2HD2 LEU 85 -11.995 10.803 7.079 625 H LEU 86 H LEU 86 -7.519 12.623 3.394 626 HA LEU 86 HA LEU 86 -7.843 12.221 0.551 627 HB2 LEU 86 1HB LEU 86 -6.171 14.011 0.344 628 HB3 LEU 86 2HB LEU 86 -7.537 14.464 1.362 629 HG LEU 86 HG LEU 86 -5.858 13.659 3.272 630 HD11 LEU 86 1HD1 LEU 86 -3.936 13.063 2.194 631 HD12 LEU 86 2HD1 LEU 86 -3.612 14.775 2.462 632 HD13 LEU 86 3HD1 LEU 86 -4.176 14.221 0.886 633 HD21 LEU 86 3HD2 LEU 86 -5.214 16.020 3.532 634 HD22 LEU 86 1HD2 LEU 86 -6.930 15.829 3.176 635 HD23 LEU 86 2HD2 LEU 86 -5.820 16.350 1.908 636 H LYS 87 H LYS 87 -5.738 11.137 3.054 637 HA LYS 87 HA LYS 87 -3.611 10.346 1.257 638 HB2 LYS 87 1HB LYS 87 -4.074 10.251 4.199 639 HB3 LYS 87 2HB LYS 87 -2.927 9.109 3.512 640 HG2 LYS 87 1HG LYS 87 -1.908 11.211 2.380 641 HG3 LYS 87 2HG LYS 87 -2.789 12.088 3.634 642 HD2 LYS 87 1HD LYS 87 -1.080 9.761 4.396 643 HD3 LYS 87 2HD LYS 87 -0.320 11.313 4.038 644 HE2 LYS 87 1HE LYS 87 -1.716 12.390 5.727 645 HE3 LYS 87 2HE LYS 87 -2.501 10.850 6.071 646 HZ1 LYS 87 3HZ LYS 87 -0.917 10.491 7.558 647 HZ2 LYS 87 1HZ LYS 87 -0.061 11.871 7.082 648 HZ3 LYS 87 2HZ LYS 87 0.212 10.395 6.302 649 H THR 88 H THR 88 -6.124 8.756 3.188 650 HA THR 88 HA THR 88 -5.440 6.162 2.065 651 HB THR 88 HB THR 88 -7.018 5.213 3.579 652 HG1 THR 88 HG1 THR 88 -8.208 6.922 4.941 653 HG21 THR 88 3HG2 THR 88 -6.307 6.171 5.762 654 HG22 THR 88 1HG2 THR 88 -5.569 7.515 4.891 655 HG23 THR 88 2HG2 THR 88 -4.964 5.874 4.659 656 H GLY 89 H GLY 89 -8.044 8.543 1.912 657 HA2 GLY 89 1HA GLY 89 -9.437 8.920 0.066 658 HA3 GLY 89 2HA GLY 89 -8.910 7.388 -0.616 659 H LYS 90 H LYS 90 -9.954 7.484 2.680 660 HA LYS 90 HA LYS 90 -12.708 6.947 2.215 661 HB2 LYS 90 1HB LYS 90 -12.747 4.590 2.839 662 HB3 LYS 90 2HB LYS 90 -11.785 4.825 1.386 663 HG2 LYS 90 1HG LYS 90 -10.342 4.862 3.967 664 HG3 LYS 90 2HG LYS 90 -10.985 3.311 3.422 665 HD2 LYS 90 1HD LYS 90 -9.476 4.991 1.480 666 HD3 LYS 90 2HD LYS 90 -8.573 4.121 2.722 667 HE2 LYS 90 1HE LYS 90 -10.574 2.831 0.874 668 HE3 LYS 90 2HE LYS 90 -8.840 2.886 0.562 669 HZ1 LYS 90 3HZ LYS 90 -10.135 0.945 1.944 670 HZ2 LYS 90 1HZ LYS 90 -9.482 1.900 3.179 671 HZ3 LYS 90 2HZ LYS 90 -8.470 1.240 1.996 672 H LEU 91 H LEU 91 -13.893 6.611 4.169 673 HA LEU 91 HA LEU 91 -12.425 7.539 6.532 674 HB2 LEU 91 1HB LEU 91 -14.432 8.409 7.350 675 HB3 LEU 91 2HB LEU 91 -14.453 8.768 5.625 676 HG LEU 91 HG LEU 91 -15.828 6.486 5.572 677 HD11 LEU 91 1HD1 LEU 91 -17.057 7.514 8.029 678 HD12 LEU 91 2HD1 LEU 91 -15.504 6.710 8.256 679 HD13 LEU 91 3HD1 LEU 91 -16.834 5.855 7.474 680 HD21 LEU 91 3HD2 LEU 91 -17.031 9.137 6.363 681 HD22 LEU 91 1HD2 LEU 91 -17.845 7.817 5.523 682 HD23 LEU 91 2HD2 LEU 91 -16.537 8.694 4.728 683 H ILE 92 H ILE 92 -12.320 6.383 8.387 684 HA ILE 92 HA ILE 92 -12.993 3.589 8.258 685 HB ILE 92 HB ILE 92 -11.934 5.099 10.644 686 HG12 ILE 92 1HG1 ILE 92 -10.491 5.492 8.694 687 HG13 ILE 92 2HG1 ILE 92 -9.691 4.464 9.878 688 HG21 ILE 92 1HG2 ILE 92 -12.319 3.090 11.570 689 HG22 ILE 92 2HG2 ILE 92 -12.439 2.282 10.008 690 HG23 ILE 92 3HG2 ILE 92 -10.855 2.607 10.713 691 HD11 ILE 92 3HD1 ILE 92 -9.339 3.735 7.556 692 HD12 ILE 92 1HD1 ILE 92 -10.135 2.513 8.547 693 HD13 ILE 92 2HD1 ILE 92 -11.076 3.469 7.401 Start of MODEL 20 1 H1 GLY 1 H GLY 1 8.699 9.886 5.940 2 HA2 GLY 1 1HA GLY 1 9.127 7.721 4.917 3 HA3 GLY 1 2HA GLY 1 7.747 7.558 5.993 4 HA PRO 2 HA PRO 2 6.562 6.028 1.762 5 HB2 PRO 2 1HB PRO 2 5.528 3.673 2.632 6 HB3 PRO 2 2HB PRO 2 7.237 3.884 2.237 7 HG2 PRO 2 1HG PRO 2 5.895 3.913 4.912 8 HG3 PRO 2 2HG PRO 2 7.418 3.141 4.433 9 HD2 PRO 2 1HD PRO 2 7.334 5.504 5.753 10 HD3 PRO 2 2HD PRO 2 8.607 5.110 4.581 11 H GLY 3 H GLY 3 4.380 5.453 1.000 12 HA2 GLY 3 1HA GLY 3 2.057 5.359 2.450 13 HA3 GLY 3 2HA GLY 3 2.399 7.076 2.291 14 H SER 4 H SER 4 0.180 6.722 1.206 15 HA SER 4 HA SER 4 0.675 6.539 -1.677 16 HB2 SER 4 1HB SER 4 -1.795 5.324 -0.444 17 HB3 SER 4 2HB SER 4 -1.191 5.135 -2.090 18 HG SER 4 HG SER 4 0.185 3.659 -1.430 19 H MET 5 H MET 5 -1.496 7.241 -2.837 20 HA MET 5 HA MET 5 -2.782 9.424 -1.373 21 HB2 MET 5 1HB MET 5 -1.185 9.701 -3.906 22 HB3 MET 5 2HB MET 5 -2.473 10.833 -3.515 23 HG2 MET 5 1HG MET 5 -1.353 11.631 -1.623 24 HG3 MET 5 2HG MET 5 -0.246 10.260 -1.596 25 HE1 MET 5 3HE MET 5 1.202 9.652 -3.350 26 HE2 MET 5 1HE MET 5 1.859 10.665 -4.636 27 HE3 MET 5 2HE MET 5 2.505 10.789 -3.000 28 H VAL 6 H VAL 6 -4.700 10.267 -2.491 29 HA VAL 6 HA VAL 6 -5.881 8.293 -4.333 30 HB VAL 6 HB VAL 6 -8.053 8.623 -3.282 31 HG11 VAL 6 1HG1 VAL 6 -5.742 7.512 -1.884 32 HG12 VAL 6 2HG1 VAL 6 -7.101 7.886 -0.823 33 HG13 VAL 6 3HG1 VAL 6 -7.326 6.804 -2.198 34 HG21 VAL 6 3HG2 VAL 6 -7.315 9.864 -0.831 35 HG22 VAL 6 1HG2 VAL 6 -6.800 10.903 -2.160 36 HG23 VAL 6 2HG2 VAL 6 -8.487 10.406 -2.031 37 H ASP 7 H ASP 7 -7.679 9.149 -5.637 38 HA ASP 7 HA ASP 7 -6.968 11.700 -6.757 39 HB2 ASP 7 1HB ASP 7 -8.912 11.206 -8.307 40 HB3 ASP 7 2HB ASP 7 -7.611 10.019 -8.315 41 H VAL 8 H VAL 8 -7.827 13.618 -6.304 42 HA VAL 8 HA VAL 8 -10.371 13.692 -4.815 43 HB VAL 8 HB VAL 8 -8.036 15.591 -4.541 44 HG11 VAL 8 1HG1 VAL 8 -10.157 16.740 -4.265 45 HG12 VAL 8 2HG1 VAL 8 -10.690 15.518 -3.108 46 HG13 VAL 8 3HG1 VAL 8 -9.341 16.583 -2.710 47 HG21 VAL 8 3HG2 VAL 8 -7.434 13.607 -3.429 48 HG22 VAL 8 1HG2 VAL 8 -8.065 14.667 -2.168 49 HG23 VAL 8 2HG2 VAL 8 -9.066 13.362 -2.806 50 H ILE 9 H ILE 9 -11.944 14.522 -6.008 51 HA ILE 9 HA ILE 9 -11.274 16.627 -7.959 52 HB ILE 9 HB ILE 9 -13.672 14.805 -8.099 53 HG12 ILE 9 1HG1 ILE 9 -11.034 14.556 -9.562 54 HG13 ILE 9 2HG1 ILE 9 -11.592 13.489 -8.277 55 HG21 ILE 9 1HG2 ILE 9 -13.815 15.589 -10.400 56 HG22 ILE 9 2HG2 ILE 9 -13.869 16.943 -9.273 57 HG23 ILE 9 3HG2 ILE 9 -12.385 16.592 -10.159 58 HD11 ILE 9 3HD1 ILE 9 -12.054 12.314 -10.218 59 HD12 ILE 9 1HD1 ILE 9 -13.604 13.047 -9.805 60 HD13 ILE 9 2HD1 ILE 9 -12.605 13.753 -11.076 61 H ILE 10 H ILE 10 -12.238 18.552 -7.763 62 HA ILE 10 HA ILE 10 -14.469 18.786 -5.849 63 HB ILE 10 HB ILE 10 -12.300 19.828 -5.108 64 HG12 ILE 10 1HG1 ILE 10 -14.631 21.712 -5.529 65 HG13 ILE 10 2HG1 ILE 10 -14.495 20.535 -4.228 66 HG21 ILE 10 1HG2 ILE 10 -11.634 21.942 -6.136 67 HG22 ILE 10 2HG2 ILE 10 -11.542 20.612 -7.290 68 HG23 ILE 10 3HG2 ILE 10 -12.890 21.746 -7.359 69 HD11 ILE 10 3HD1 ILE 10 -13.218 23.164 -4.551 70 HD12 ILE 10 1HD1 ILE 10 -13.736 22.318 -3.093 71 HD13 ILE 10 2HD1 ILE 10 -12.209 21.891 -3.865 72 H TYR 11 H TYR 11 -16.259 19.877 -6.469 73 HA TYR 11 HA TYR 11 -16.257 20.996 -9.194 74 HB2 TYR 11 1HB TYR 11 -18.007 19.109 -7.883 75 HB3 TYR 11 2HB TYR 11 -18.915 20.518 -8.418 76 HD1 TYR 11 HD2 TYR 11 -16.324 18.147 -9.699 77 HD2 TYR 11 HD1 TYR 11 -19.751 20.514 -10.570 78 HE1 TYR 11 HE2 TYR 11 -16.356 17.248 -11.989 79 HE2 TYR 11 HE1 TYR 11 -19.793 19.621 -12.862 80 HH TYR 11 HH TYR 11 -18.448 16.985 -13.832 81 H THR 12 H THR 12 -16.355 23.130 -9.244 82 HA THR 12 HA THR 12 -18.109 24.523 -7.349 83 HB THR 12 HB THR 12 -16.501 26.218 -6.852 84 HG1 THR 12 HG1 THR 12 -14.909 26.598 -8.182 85 HG21 THR 12 3HG2 THR 12 -16.343 24.083 -5.568 86 HG22 THR 12 1HG2 THR 12 -14.836 24.996 -5.621 87 HG23 THR 12 2HG2 THR 12 -15.046 23.581 -6.652 88 H ARG 13 H ARG 13 -18.435 26.853 -8.028 89 HA ARG 13 HA ARG 13 -18.530 27.015 -10.969 90 HB2 ARG 13 1HB ARG 13 -20.637 27.976 -10.891 91 HB3 ARG 13 2HB ARG 13 -20.722 26.813 -9.575 92 HG2 ARG 13 1HG ARG 13 -19.809 28.999 -8.265 93 HG3 ARG 13 2HG ARG 13 -20.807 29.742 -9.516 94 HD2 ARG 13 1HD ARG 13 -22.128 27.459 -8.339 95 HD3 ARG 13 2HD ARG 13 -21.669 28.635 -7.108 96 HE ARG 13 HE ARG 13 -23.213 30.105 -7.970 97 HH11 ARG 13 1HH1 ARG 13 -22.769 27.443 -10.169 98 HH12 ARG 13 2HH1 ARG 13 -24.113 27.877 -11.172 99 HH21 ARG 13 1HH2 ARG 13 -24.985 30.687 -9.283 100 HH22 ARG 13 2HH2 ARG 13 -25.372 29.723 -10.668 101 HA PRO 14 HA PRO 14 -16.240 30.756 -10.838 102 HB2 PRO 14 1HB PRO 14 -17.342 32.134 -12.901 103 HB3 PRO 14 2HB PRO 14 -16.290 30.733 -13.135 104 HG2 PRO 14 1HG PRO 14 -19.279 30.890 -13.201 105 HG3 PRO 14 2HG PRO 14 -18.180 30.018 -14.286 106 HD2 PRO 14 1HD PRO 14 -19.532 28.791 -12.286 107 HD3 PRO 14 2HD PRO 14 -17.922 28.261 -12.816 108 H GLY 15 H GLY 15 -17.436 31.186 -8.711 109 HA2 GLY 15 1HA GLY 15 -17.908 33.626 -8.028 110 HA3 GLY 15 2HA GLY 15 -19.358 33.398 -8.994 111 H CYS 16 H CYS 16 -17.595 31.771 -6.355 112 HA CYS 16 HA CYS 16 -20.024 31.714 -4.771 113 HB2 CYS 16 1HB CYS 16 -19.758 29.236 -4.350 114 HB3 CYS 16 2HB CYS 16 -20.350 29.668 -5.951 115 HA PRO 17 HA PRO 17 -16.841 32.497 -1.772 116 HB2 PRO 17 1HB PRO 17 -18.490 32.638 0.380 117 HB3 PRO 17 2HB PRO 17 -18.337 33.945 -0.799 118 HG2 PRO 17 1HG PRO 17 -20.443 31.828 -0.580 119 HG3 PRO 17 2HG PRO 17 -20.628 33.560 -0.916 120 HD2 PRO 17 1HD PRO 17 -20.706 31.681 -2.864 121 HD3 PRO 17 2HD PRO 17 -20.071 33.316 -3.139 122 H TYR 18 H TYR 18 -19.426 30.159 -1.019 123 HA TYR 18 HA TYR 18 -18.189 28.751 1.003 124 HB2 TYR 18 1HB TYR 18 -19.986 27.663 -1.173 125 HB3 TYR 18 2HB TYR 18 -19.608 26.836 0.334 126 HD1 TYR 18 HD1 TYR 18 -20.116 28.270 2.513 127 HD2 TYR 18 HD2 TYR 18 -21.943 28.881 -1.281 128 HE1 TYR 18 HE1 TYR 18 -22.005 29.399 3.611 129 HE2 TYR 18 HE2 TYR 18 -23.837 30.013 -0.193 130 HH TYR 18 HH TYR 18 -24.473 31.050 1.784 131 H CYS 19 H CYS 19 -17.703 28.521 -2.466 132 HA CYS 19 HA CYS 19 -16.118 26.155 -2.395 133 HB2 CYS 19 1HB CYS 19 -15.980 28.266 -4.541 134 HB3 CYS 19 2HB CYS 19 -15.715 26.532 -4.696 135 H ALA 20 H ALA 20 -15.299 29.604 -2.725 136 HA ALA 20 HA ALA 20 -12.561 29.434 -2.894 137 HB1 ALA 20 1HB ALA 20 -14.401 31.470 -2.559 138 HB2 ALA 20 2HB ALA 20 -13.359 31.603 -1.142 139 HB3 ALA 20 3HB ALA 20 -12.659 31.655 -2.760 140 H ARG 21 H ARG 21 -14.571 29.346 0.018 141 HA ARG 21 HA ARG 21 -12.433 29.337 1.871 142 HB2 ARG 21 1HB ARG 21 -15.310 28.461 2.055 143 HB3 ARG 21 2HB ARG 21 -14.206 28.336 3.418 144 HG2 ARG 21 1HG ARG 21 -14.926 30.878 1.973 145 HG3 ARG 21 2HG ARG 21 -15.565 30.357 3.533 146 HD2 ARG 21 1HD ARG 21 -12.923 30.192 4.025 147 HD3 ARG 21 2HD ARG 21 -12.933 31.497 2.839 148 HE ARG 21 HE ARG 21 -13.826 31.634 5.544 149 HH11 ARG 21 1HH1 ARG 21 -14.363 32.900 2.346 150 HH12 ARG 21 2HH1 ARG 21 -15.025 34.399 2.909 151 HH21 ARG 21 1HH2 ARG 21 -14.695 33.603 6.298 152 HH22 ARG 21 2HH2 ARG 21 -15.212 34.798 5.157 153 H ALA 22 H ALA 22 -14.388 26.713 0.481 154 HA ALA 22 HA ALA 22 -13.212 24.580 1.836 155 HB1 ALA 22 1HB ALA 22 -14.086 24.280 -1.005 156 HB2 ALA 22 2HB ALA 22 -14.314 23.188 0.361 157 HB3 ALA 22 3HB ALA 22 -15.268 24.666 0.246 158 H LYS 23 H LYS 23 -12.369 25.952 -1.340 159 HA LYS 23 HA LYS 23 -10.230 24.237 -1.903 160 HB2 LYS 23 1HB LYS 23 -10.670 27.101 -2.764 161 HB3 LYS 23 2HB LYS 23 -9.483 26.013 -3.471 162 HG2 LYS 23 1HG LYS 23 -11.820 24.575 -3.645 163 HG3 LYS 23 2HG LYS 23 -12.339 26.233 -3.958 164 HD2 LYS 23 1HD LYS 23 -9.932 25.092 -5.332 165 HD3 LYS 23 2HD LYS 23 -11.557 24.771 -5.943 166 HE2 LYS 23 1HE LYS 23 -11.971 27.084 -6.293 167 HE3 LYS 23 2HE LYS 23 -10.522 27.546 -5.400 168 HZ1 LYS 23 3HZ LYS 23 -10.805 26.816 -8.152 169 HZ2 LYS 23 1HZ LYS 23 -9.591 25.924 -7.381 170 HZ3 LYS 23 2HZ LYS 23 -9.532 27.614 -7.374 171 H ALA 24 H ALA 24 -10.198 27.497 -0.468 172 HA ALA 24 HA ALA 24 -7.453 27.702 -0.047 173 HB1 ALA 24 1HB ALA 24 -7.908 29.540 1.301 174 HB2 ALA 24 2HB ALA 24 -9.307 29.469 0.229 175 HB3 ALA 24 3HB ALA 24 -9.430 28.863 1.880 176 H LEU 25 H LEU 25 -9.924 26.063 1.818 177 HA LEU 25 HA LEU 25 -8.361 25.637 4.150 178 HB2 LEU 25 1HB LEU 25 -10.930 25.438 3.753 179 HB3 LEU 25 2HB LEU 25 -10.542 23.780 3.301 180 HG LEU 25 HG LEU 25 -11.299 23.958 5.625 181 HD11 LEU 25 1HD1 LEU 25 -9.434 22.357 4.737 182 HD12 LEU 25 2HD1 LEU 25 -9.786 22.449 6.462 183 HD13 LEU 25 3HD1 LEU 25 -8.395 23.308 5.799 184 HD21 LEU 25 3HD2 LEU 25 -10.417 26.252 6.010 185 HD22 LEU 25 1HD2 LEU 25 -8.795 25.566 6.102 186 HD23 LEU 25 2HD2 LEU 25 -10.014 25.109 7.292 187 H LEU 26 H LEU 26 -9.219 23.490 1.438 188 HA LEU 26 HA LEU 26 -7.593 21.340 2.285 189 HB2 LEU 26 1HB LEU 26 -9.109 22.066 -0.135 190 HB3 LEU 26 2HB LEU 26 -7.769 20.948 -0.382 191 HG LEU 26 HG LEU 26 -9.846 20.409 1.711 192 HD11 LEU 26 1HD1 LEU 26 -10.736 20.857 -0.726 193 HD12 LEU 26 2HD1 LEU 26 -11.340 19.509 0.236 194 HD13 LEU 26 3HD1 LEU 26 -10.119 19.229 -1.005 195 HD21 LEU 26 3HD2 LEU 26 -9.192 18.094 1.284 196 HD22 LEU 26 1HD2 LEU 26 -7.800 19.080 1.732 197 HD23 LEU 26 2HD2 LEU 26 -8.060 18.638 0.045 198 H ALA 27 H ALA 27 -6.973 24.194 0.373 199 HA ALA 27 HA ALA 27 -4.470 23.312 -0.689 200 HB1 ALA 27 1HB ALA 27 -4.220 25.520 -1.532 201 HB2 ALA 27 2HB ALA 27 -5.926 25.099 -1.687 202 HB3 ALA 27 3HB ALA 27 -5.394 26.161 -0.383 203 H ARG 28 H ARG 28 -5.501 24.828 2.261 204 HA ARG 28 HA ARG 28 -3.101 26.002 3.090 205 HB2 ARG 28 1HB ARG 28 -5.214 26.428 4.225 206 HB3 ARG 28 2HB ARG 28 -5.298 24.751 4.746 207 HG2 ARG 28 1HG ARG 28 -2.883 26.267 5.525 208 HG3 ARG 28 2HG ARG 28 -4.402 26.714 6.306 209 HD2 ARG 28 1HD ARG 28 -4.654 24.147 6.663 210 HD3 ARG 28 2HD ARG 28 -2.912 24.123 6.392 211 HE ARG 28 HE ARG 28 -3.350 26.077 8.281 212 HH11 ARG 28 1HH1 ARG 28 -3.941 22.658 7.994 213 HH12 ARG 28 2HH1 ARG 28 -3.800 22.359 9.695 214 HH21 ARG 28 1HH2 ARG 28 -3.163 25.696 10.522 215 HH22 ARG 28 2HH2 ARG 28 -3.359 24.088 11.132 216 H LYS 29 H LYS 29 -4.398 22.765 3.820 217 HA LYS 29 HA LYS 29 -2.050 21.914 5.193 218 HB2 LYS 29 1HB LYS 29 -3.090 19.778 5.334 219 HB3 LYS 29 2HB LYS 29 -4.368 20.973 5.508 220 HG2 LYS 29 1HG LYS 29 -4.847 20.666 3.062 221 HG3 LYS 29 2HG LYS 29 -3.730 19.300 3.093 222 HD2 LYS 29 1HD LYS 29 -6.215 19.590 4.782 223 HD3 LYS 29 2HD LYS 29 -6.053 18.568 3.352 224 HE2 LYS 29 1HE LYS 29 -4.626 18.293 5.990 225 HE3 LYS 29 2HE LYS 29 -5.783 17.175 5.268 226 HZ1 LYS 29 3HZ LYS 29 -2.957 17.443 4.803 227 HZ2 LYS 29 1HZ LYS 29 -3.863 17.360 3.376 228 HZ3 LYS 29 2HZ LYS 29 -3.978 16.123 4.524 229 H GLY 30 H GLY 30 -2.864 22.208 1.899 230 HA2 GLY 30 1HA GLY 30 -1.169 22.016 0.221 231 HA3 GLY 30 2HA GLY 30 -0.409 20.757 1.183 232 H ALA 31 H ALA 31 -3.719 20.306 1.155 233 HA ALA 31 HA ALA 31 -3.554 17.909 -0.336 234 HB1 ALA 31 1HB ALA 31 -6.060 19.422 0.373 235 HB2 ALA 31 2HB ALA 31 -5.909 17.700 0.021 236 HB3 ALA 31 3HB ALA 31 -5.192 18.367 1.488 237 H GLU 32 H GLU 32 -3.339 17.758 -2.465 238 HA GLU 32 HA GLU 32 -4.179 19.928 -4.196 239 HB2 GLU 32 1HB GLU 32 -2.965 18.836 -5.922 240 HB3 GLU 32 2HB GLU 32 -1.996 18.687 -4.463 241 HG2 GLU 32 1HG GLU 32 -3.098 16.396 -4.188 242 HG3 GLU 32 2HG GLU 32 -3.600 16.585 -5.867 243 H PHE 33 H PHE 33 -5.791 19.854 -5.704 244 HA PHE 33 HA PHE 33 -7.271 17.404 -6.159 245 HB2 PHE 33 1HB PHE 33 -9.449 18.482 -5.545 246 HB3 PHE 33 2HB PHE 33 -8.394 18.161 -4.173 247 HD1 PHE 33 HD2 PHE 33 -9.680 20.796 -6.408 248 HD2 PHE 33 HD1 PHE 33 -7.582 19.914 -2.811 249 HE1 PHE 33 HE2 PHE 33 -9.844 23.157 -5.737 250 HE2 PHE 33 HE1 PHE 33 -7.743 22.274 -2.134 251 HZ PHE 33 HZ PHE 33 -8.874 23.899 -3.598 252 H ASN 34 H ASN 34 -8.650 17.499 -7.976 253 HA ASN 34 HA ASN 34 -7.840 19.482 -9.918 254 HB2 ASN 34 1HB ASN 34 -8.149 16.972 -10.358 255 HB3 ASN 34 2HB ASN 34 -9.878 17.305 -10.358 256 HD21 ASN 34 2HD2 ASN 34 -10.782 17.941 -12.190 257 HD22 ASN 34 1HD2 ASN 34 -9.934 18.462 -13.602 258 H GLU 35 H GLU 35 -8.887 21.316 -10.280 259 HA GLU 35 HA GLU 35 -11.509 21.746 -9.121 260 HB2 GLU 35 1HB GLU 35 -9.883 23.511 -8.864 261 HB3 GLU 35 2HB GLU 35 -9.620 23.580 -10.601 262 HG2 GLU 35 1HG GLU 35 -12.388 24.016 -9.688 263 HG3 GLU 35 2HG GLU 35 -11.218 25.267 -9.271 264 H ILE 36 H ILE 36 -13.344 21.451 -10.182 265 HA ILE 36 HA ILE 36 -13.319 21.638 -13.124 266 HB ILE 36 HB ILE 36 -14.981 19.732 -11.470 267 HG12 ILE 36 1HG1 ILE 36 -12.623 19.212 -13.295 268 HG13 ILE 36 2HG1 ILE 36 -12.616 19.078 -11.540 269 HG21 ILE 36 1HG2 ILE 36 -14.744 20.087 -14.455 270 HG22 ILE 36 2HG2 ILE 36 -15.626 18.789 -13.652 271 HG23 ILE 36 3HG2 ILE 36 -16.151 20.462 -13.461 272 HD11 ILE 36 3HD1 ILE 36 -14.105 17.361 -13.504 273 HD12 ILE 36 1HD1 ILE 36 -12.784 16.890 -12.435 274 HD13 ILE 36 2HD1 ILE 36 -14.360 17.303 -11.760 275 H ASP 37 H ASP 37 -15.085 22.587 -14.112 276 HA ASP 37 HA ASP 37 -16.664 24.321 -12.394 277 HB2 ASP 37 1HB ASP 37 -16.803 24.220 -15.401 278 HB3 ASP 37 2HB ASP 37 -17.174 25.570 -14.332 279 H ALA 38 H ALA 38 -18.925 24.405 -12.386 280 HA ALA 38 HA ALA 38 -20.236 21.951 -13.362 281 HB1 ALA 38 1HB ALA 38 -20.022 22.496 -10.810 282 HB2 ALA 38 2HB ALA 38 -21.390 23.562 -11.134 283 HB3 ALA 38 3HB ALA 38 -21.521 21.834 -11.462 284 H SER 39 H SER 39 -20.596 25.434 -12.886 285 HA SER 39 HA SER 39 -23.175 25.665 -14.011 286 HB2 SER 39 1HB SER 39 -22.386 27.479 -12.681 287 HB3 SER 39 2HB SER 39 -20.926 27.650 -13.655 288 HG SER 39 HG SER 39 -21.999 28.939 -14.902 289 H ALA 40 H ALA 40 -20.167 25.010 -15.421 290 HA ALA 40 HA ALA 40 -20.214 26.268 -17.872 291 HB1 ALA 40 1HB ALA 40 -19.127 23.671 -16.913 292 HB2 ALA 40 2HB ALA 40 -19.142 23.989 -18.648 293 HB3 ALA 40 3HB ALA 40 -18.286 25.080 -17.559 294 H THR 41 H THR 41 -21.891 23.305 -16.896 295 HA THR 41 HA THR 41 -23.647 23.617 -19.228 296 HB THR 41 HB THR 41 -23.662 20.957 -19.121 297 HG1 THR 41 HG1 THR 41 -21.193 21.761 -18.008 298 HG21 THR 41 3HG2 THR 41 -23.166 22.345 -21.098 299 HG22 THR 41 1HG2 THR 41 -22.108 20.938 -20.994 300 HG23 THR 41 2HG2 THR 41 -21.505 22.530 -20.535 301 HA PRO 42 HA PRO 42 -26.980 22.902 -16.464 302 HB2 PRO 42 1HB PRO 42 -28.717 21.505 -18.013 303 HB3 PRO 42 2HB PRO 42 -28.395 23.227 -18.244 304 HG2 PRO 42 1HG PRO 42 -27.282 20.876 -19.726 305 HG3 PRO 42 2HG PRO 42 -27.862 22.427 -20.362 306 HD2 PRO 42 1HD PRO 42 -25.231 21.881 -20.027 307 HD3 PRO 42 2HD PRO 42 -25.898 23.516 -19.843 308 H GLU 43 H GLU 43 -26.053 19.995 -18.300 309 HA GLU 43 HA GLU 43 -27.201 18.112 -16.568 310 HB2 GLU 43 1HB GLU 43 -26.261 17.765 -18.928 311 HB3 GLU 43 2HB GLU 43 -24.688 17.624 -18.155 312 HG2 GLU 43 1HG GLU 43 -25.746 15.807 -16.717 313 HG3 GLU 43 2HG GLU 43 -27.071 15.828 -17.880 314 H LEU 44 H LEU 44 -23.851 19.307 -16.743 315 HA LEU 44 HA LEU 44 -22.841 17.833 -14.594 316 HB2 LEU 44 1HB LEU 44 -22.041 20.427 -15.863 317 HB3 LEU 44 2HB LEU 44 -21.181 19.802 -14.457 318 HG LEU 44 HG LEU 44 -21.438 18.428 -17.132 319 HD11 LEU 44 1HD1 LEU 44 -19.864 20.538 -16.603 320 HD12 LEU 44 2HD1 LEU 44 -19.410 19.235 -17.701 321 HD13 LEU 44 3HD1 LEU 44 -18.820 19.232 -16.039 322 HD21 LEU 44 3HD2 LEU 44 -20.977 16.566 -16.005 323 HD22 LEU 44 1HD2 LEU 44 -20.724 17.457 -14.503 324 HD23 LEU 44 2HD2 LEU 44 -19.397 17.266 -15.649 325 H ARG 45 H ARG 45 -24.728 20.756 -14.685 326 HA ARG 45 HA ARG 45 -24.239 21.396 -11.906 327 HB2 ARG 45 1HB ARG 45 -24.704 23.072 -13.801 328 HB3 ARG 45 2HB ARG 45 -26.389 22.595 -13.638 329 HG2 ARG 45 1HG ARG 45 -26.004 23.157 -11.118 330 HG3 ARG 45 2HG ARG 45 -24.656 24.107 -11.746 331 HD2 ARG 45 1HD ARG 45 -26.316 25.163 -13.337 332 HD3 ARG 45 2HD ARG 45 -27.583 24.388 -12.386 333 HE ARG 45 HE ARG 45 -25.773 25.940 -10.795 334 HH11 ARG 45 1HH1 ARG 45 -28.612 26.063 -12.807 335 HH12 ARG 45 2HH1 ARG 45 -29.233 27.502 -12.067 336 HH21 ARG 45 1HH2 ARG 45 -26.580 27.834 -9.814 337 HH22 ARG 45 2HH2 ARG 45 -28.076 28.509 -10.365 338 H ALA 46 H ALA 46 -26.537 19.609 -13.777 339 HA ALA 46 HA ALA 46 -28.629 19.605 -11.823 340 HB1 ALA 46 1HB ALA 46 -29.634 19.062 -13.751 341 HB2 ALA 46 2HB ALA 46 -28.155 18.406 -14.453 342 HB3 ALA 46 3HB ALA 46 -29.128 17.417 -13.364 343 H GLU 47 H GLU 47 -26.166 17.238 -12.821 344 HA GLU 47 HA GLU 47 -26.884 15.236 -10.984 345 HB2 GLU 47 1HB GLU 47 -24.701 14.262 -11.444 346 HB3 GLU 47 2HB GLU 47 -25.443 14.827 -12.934 347 HG2 GLU 47 1HG GLU 47 -24.060 16.979 -12.501 348 HG3 GLU 47 2HG GLU 47 -23.109 15.937 -11.445 349 H MET 48 H MET 48 -24.715 17.998 -10.731 350 HA MET 48 HA MET 48 -23.534 17.296 -8.264 351 HB2 MET 48 1HB MET 48 -23.889 19.921 -9.696 352 HB3 MET 48 2HB MET 48 -23.090 19.818 -8.134 353 HG2 MET 48 1HG MET 48 -22.229 18.304 -10.587 354 HG3 MET 48 2HG MET 48 -21.543 19.842 -10.066 355 HE1 MET 48 3HE MET 48 -19.236 16.815 -9.863 356 HE2 MET 48 1HE MET 48 -20.559 15.786 -9.314 357 HE3 MET 48 2HE MET 48 -20.787 16.848 -10.703 358 H GLN 49 H GLN 49 -26.185 19.563 -9.008 359 HA GLN 49 HA GLN 49 -26.810 20.051 -6.278 360 HB2 GLN 49 1HB GLN 49 -28.519 21.420 -7.056 361 HB3 GLN 49 2HB GLN 49 -27.360 21.473 -8.376 362 HG2 GLN 49 1HG GLN 49 -28.710 19.606 -9.438 363 HG3 GLN 49 2HG GLN 49 -29.945 19.961 -8.231 364 HE21 GLN 49 2HE2 GLN 49 -29.775 22.698 -8.096 365 HE22 GLN 49 1HE2 GLN 49 -30.270 23.382 -9.603 366 H GLU 50 H GLU 50 -27.524 17.494 -8.418 367 HA GLU 50 HA GLU 50 -30.005 16.671 -7.281 368 HB2 GLU 50 1HB GLU 50 -29.472 15.946 -9.503 369 HB3 GLU 50 2HB GLU 50 -27.963 15.223 -8.966 370 HG2 GLU 50 1HG GLU 50 -29.756 13.584 -9.436 371 HG3 GLU 50 2HG GLU 50 -29.121 13.498 -7.794 372 H ARG 51 H ARG 51 -26.692 16.271 -6.408 373 HA ARG 51 HA ARG 51 -27.244 14.046 -4.616 374 HB2 ARG 51 1HB ARG 51 -24.677 15.584 -5.055 375 HB3 ARG 51 2HB ARG 51 -24.847 14.088 -4.146 376 HG2 ARG 51 1HG ARG 51 -25.146 12.810 -6.045 377 HG3 ARG 51 2HG ARG 51 -25.661 14.191 -7.016 378 HD2 ARG 51 1HD ARG 51 -23.279 15.075 -6.661 379 HD3 ARG 51 2HD ARG 51 -22.892 13.436 -6.138 380 HE ARG 51 HE ARG 51 -24.217 13.567 -8.689 381 HH11 ARG 51 1HH1 ARG 51 -21.157 13.671 -7.033 382 HH12 ARG 51 2HH1 ARG 51 -20.242 13.173 -8.418 383 HH21 ARG 51 1HH2 ARG 51 -23.025 12.911 -10.519 384 HH22 ARG 51 2HH2 ARG 51 -21.306 12.742 -10.401 385 H SER 52 H SER 52 -26.524 17.486 -4.486 386 HA SER 52 HA SER 52 -26.353 17.541 -1.611 387 HB2 SER 52 1HB SER 52 -25.316 19.163 -3.459 388 HB3 SER 52 2HB SER 52 -26.819 20.039 -3.170 389 HG SER 52 HG SER 52 -25.823 20.812 -1.496 390 H GLY 53 H GLY 53 -28.773 18.268 -4.063 391 HA2 GLY 53 1HA GLY 53 -31.089 18.214 -3.779 392 HA3 GLY 53 2HA GLY 53 -30.850 18.120 -2.041 393 H ARG 54 H ARG 54 -28.936 20.572 -3.140 394 HA ARG 54 HA ARG 54 -31.043 22.573 -2.645 395 HB2 ARG 54 1HB ARG 54 -28.163 22.494 -1.780 396 HB3 ARG 54 2HB ARG 54 -29.056 24.007 -1.851 397 HG2 ARG 54 1HG ARG 54 -30.696 23.112 -0.274 398 HG3 ARG 54 2HG ARG 54 -29.790 21.600 -0.197 399 HD2 ARG 54 1HD ARG 54 -27.834 22.856 0.638 400 HD3 ARG 54 2HD ARG 54 -28.805 24.328 0.631 401 HE ARG 54 HE ARG 54 -30.264 22.666 2.169 402 HH11 ARG 54 1HH1 ARG 54 -26.905 23.577 2.206 403 HH12 ARG 54 2HH1 ARG 54 -26.737 23.385 3.920 404 HH21 ARG 54 1HH2 ARG 54 -30.056 22.409 4.426 405 HH22 ARG 54 2HH2 ARG 54 -28.529 22.719 5.181 406 H ASN 55 H ASN 55 -30.172 24.841 -3.432 407 HA ASN 55 HA ASN 55 -30.284 24.960 -6.146 408 HB2 ASN 55 1HB ASN 55 -28.855 26.815 -4.237 409 HB3 ASN 55 2HB ASN 55 -29.096 27.188 -5.942 410 HD21 ASN 55 2HD2 ASN 55 -30.164 28.130 -3.177 411 HD22 ASN 55 1HD2 ASN 55 -31.855 28.320 -3.474 412 H THR 56 H THR 56 -27.194 25.702 -4.555 413 HA THR 56 HA THR 56 -25.737 23.779 -6.106 414 HB THR 56 HB THR 56 -24.324 26.009 -6.901 415 HG1 THR 56 HG1 THR 56 -26.046 27.401 -6.426 416 HG21 THR 56 3HG2 THR 56 -25.282 23.792 -8.070 417 HG22 THR 56 1HG2 THR 56 -24.611 25.143 -8.982 418 HG23 THR 56 2HG2 THR 56 -26.357 24.987 -8.794 419 H PHE 57 H PHE 57 -23.901 23.242 -5.083 420 HA PHE 57 HA PHE 57 -22.593 25.160 -3.322 421 HB2 PHE 57 1HB PHE 57 -22.927 24.061 -1.352 422 HB3 PHE 57 2HB PHE 57 -24.398 23.542 -2.167 423 HD1 PHE 57 HD2 PHE 57 -23.911 21.385 -3.765 424 HD2 PHE 57 HD1 PHE 57 -21.822 22.426 -0.206 425 HE1 PHE 57 HE2 PHE 57 -23.244 19.035 -3.473 426 HE2 PHE 57 HE1 PHE 57 -21.151 20.078 0.092 427 HZ PHE 57 HZ PHE 57 -21.863 18.378 -1.542 428 HA PRO 58 HA PRO 58 -18.867 23.237 -4.607 429 HB2 PRO 58 1HB PRO 58 -17.362 23.235 -2.348 430 HB3 PRO 58 2HB PRO 58 -17.734 24.707 -3.253 431 HG2 PRO 58 1HG PRO 58 -19.027 23.627 -0.778 432 HG3 PRO 58 2HG PRO 58 -18.565 25.296 -1.162 433 HD2 PRO 58 1HD PRO 58 -21.111 24.402 -1.382 434 HD3 PRO 58 2HD PRO 58 -20.443 25.652 -2.450 435 H GLN 59 H GLN 59 -18.587 21.163 -5.109 436 HA GLN 59 HA GLN 59 -19.228 19.107 -3.124 437 HB2 GLN 59 1HB GLN 59 -18.893 19.006 -6.121 438 HB3 GLN 59 2HB GLN 59 -19.067 17.564 -5.130 439 HG2 GLN 59 1HG GLN 59 -21.227 17.884 -5.773 440 HG3 GLN 59 2HG GLN 59 -21.210 18.796 -4.265 441 HE21 GLN 59 2HE2 GLN 59 -23.091 19.833 -5.253 442 HE22 GLN 59 1HE2 GLN 59 -22.836 21.170 -6.317 443 H ILE 60 H ILE 60 -17.715 17.867 -2.209 444 HA ILE 60 HA ILE 60 -14.971 18.033 -3.276 445 HB ILE 60 HB ILE 60 -15.940 17.946 -0.431 446 HG12 ILE 60 1HG1 ILE 60 -14.267 19.843 -0.265 447 HG13 ILE 60 2HG1 ILE 60 -14.117 19.760 -2.017 448 HG21 ILE 60 1HG2 ILE 60 -13.470 17.739 0.144 449 HG22 ILE 60 2HG2 ILE 60 -14.287 16.278 -0.407 450 HG23 ILE 60 3HG2 ILE 60 -13.246 17.176 -1.512 451 HD11 ILE 60 3HD1 ILE 60 -15.985 20.917 -2.318 452 HD12 ILE 60 1HD1 ILE 60 -16.879 19.929 -1.163 453 HD13 ILE 60 2HD1 ILE 60 -15.909 21.289 -0.596 454 H PHE 61 H PHE 61 -14.755 16.180 -4.403 455 HA PHE 61 HA PHE 61 -15.674 13.669 -3.215 456 HB2 PHE 61 1HB PHE 61 -14.491 14.087 -5.964 457 HB3 PHE 61 2HB PHE 61 -15.394 12.689 -5.389 458 HD1 PHE 61 HD1 PHE 61 -17.792 13.481 -4.322 459 HD2 PHE 61 HD2 PHE 61 -15.625 15.412 -7.435 460 HE1 PHE 61 HE1 PHE 61 -19.880 14.491 -5.144 461 HE2 PHE 61 HE2 PHE 61 -17.709 16.425 -8.262 462 HZ PHE 61 HZ PHE 61 -19.840 15.966 -7.116 463 H ILE 62 H ILE 62 -14.291 12.591 -1.987 464 HA ILE 62 HA ILE 62 -11.415 12.779 -2.598 465 HB ILE 62 HB ILE 62 -12.795 12.201 0.024 466 HG12 ILE 62 1HG1 ILE 62 -11.002 14.471 -0.867 467 HG13 ILE 62 2HG1 ILE 62 -12.741 14.570 -0.615 468 HG21 ILE 62 1HG2 ILE 62 -10.851 10.791 -0.132 469 HG22 ILE 62 2HG2 ILE 62 -9.862 12.150 -0.664 470 HG23 ILE 62 3HG2 ILE 62 -10.509 12.120 0.976 471 HD11 ILE 62 3HD1 ILE 62 -10.543 14.617 1.321 472 HD12 ILE 62 1HD1 ILE 62 -12.145 15.350 1.395 473 HD13 ILE 62 2HD1 ILE 62 -11.936 13.643 1.789 474 H GLY 63 H GLY 63 -10.596 11.035 -3.539 475 HA2 GLY 63 1HA GLY 63 -10.145 8.836 -4.023 476 HA3 GLY 63 2HA GLY 63 -10.887 8.428 -2.483 477 H SER 64 H SER 64 -12.782 7.390 -2.498 478 HA SER 64 HA SER 64 -14.261 7.289 -5.046 479 HB2 SER 64 1HB SER 64 -14.809 4.992 -4.630 480 HB3 SER 64 2HB SER 64 -13.068 5.158 -4.402 481 HG SER 64 HG SER 64 -13.289 4.774 -2.325 482 H VAL 65 H VAL 65 -14.423 8.735 -2.243 483 HA VAL 65 HA VAL 65 -17.324 8.305 -1.933 484 HB VAL 65 HB VAL 65 -15.459 9.150 0.285 485 HG11 VAL 65 1HG1 VAL 65 -18.368 8.779 0.009 486 HG12 VAL 65 2HG1 VAL 65 -17.646 8.109 1.474 487 HG13 VAL 65 3HG1 VAL 65 -17.453 9.822 1.097 488 HG21 VAL 65 3HG2 VAL 65 -14.851 6.910 -0.310 489 HG22 VAL 65 1HG2 VAL 65 -15.815 6.843 1.166 490 HG23 VAL 65 2HG2 VAL 65 -16.543 6.416 -0.383 491 H HIS 66 H HIS 66 -18.588 10.140 -1.418 492 HA HIS 66 HA HIS 66 -17.382 12.654 -2.324 493 HB2 HIS 66 1HB HIS 66 -19.328 12.018 -3.587 494 HB3 HIS 66 2HB HIS 66 -20.262 11.762 -2.116 495 HD1 HIS 66 HD1 HIS 66 -22.019 13.481 -3.022 496 HD2 HIS 66 HD2 HIS 66 -18.247 15.060 -2.286 497 HE1 HIS 66 HE1 HIS 66 -22.322 15.977 -3.027 498 H VAL 67 H VAL 67 -16.492 13.652 -0.601 499 HA VAL 67 HA VAL 67 -17.309 13.536 2.045 500 HB VAL 67 HB VAL 67 -15.919 15.803 0.613 501 HG11 VAL 67 1HG1 VAL 67 -16.340 15.284 3.548 502 HG12 VAL 67 2HG1 VAL 67 -15.107 16.381 2.923 503 HG13 VAL 67 3HG1 VAL 67 -16.814 16.706 2.620 504 HG21 VAL 67 3HG2 VAL 67 -15.038 13.238 1.795 505 HG22 VAL 67 1HG2 VAL 67 -14.380 14.147 0.435 506 HG23 VAL 67 2HG2 VAL 67 -14.012 14.642 2.087 507 H GLY 68 H GLY 68 -17.642 16.551 0.195 508 HA2 GLY 68 1HA GLY 68 -20.345 16.915 0.167 509 HA3 GLY 68 2HA GLY 68 -19.884 17.355 1.805 510 H GLY 69 H GLY 69 -19.310 19.401 2.158 511 HA2 GLY 69 1HA GLY 69 -18.157 20.959 -0.043 512 HA3 GLY 69 2HA GLY 69 -19.634 21.550 0.704 513 H CYS 70 H CYS 70 -18.479 23.463 1.289 514 HA CYS 70 HA CYS 70 -16.144 23.626 2.746 515 HB2 CYS 70 1HB CYS 70 -17.526 25.529 1.781 516 HB3 CYS 70 2HB CYS 70 -18.526 25.418 3.224 517 HG CYS 70 HG CYS 70 -16.950 26.679 4.852 518 H ASP 71 H ASP 71 -19.445 23.152 3.937 519 HA ASP 71 HA ASP 71 -18.938 23.311 6.671 520 HB2 ASP 71 1HB ASP 71 -20.985 21.751 5.099 521 HB3 ASP 71 2HB ASP 71 -20.956 21.753 6.860 522 H ASP 72 H ASP 72 -18.907 20.456 4.550 523 HA ASP 72 HA ASP 72 -18.196 18.600 6.544 524 HB2 ASP 72 1HB ASP 72 -17.808 18.557 3.548 525 HB3 ASP 72 2HB ASP 72 -17.443 17.187 4.593 526 H LEU 73 H LEU 73 -16.184 20.243 4.105 527 HA LEU 73 HA LEU 73 -13.724 19.200 4.866 528 HB2 LEU 73 1HB LEU 73 -14.505 20.835 2.920 529 HB3 LEU 73 2HB LEU 73 -13.845 22.042 4.020 530 HG LEU 73 HG LEU 73 -11.675 20.890 3.960 531 HD11 LEU 73 1HD1 LEU 73 -11.330 19.157 2.201 532 HD12 LEU 73 2HD1 LEU 73 -13.082 19.070 2.017 533 HD13 LEU 73 3HD1 LEU 73 -12.334 18.632 3.553 534 HD21 LEU 73 3HD2 LEU 73 -12.271 21.217 1.091 535 HD22 LEU 73 1HD2 LEU 73 -11.031 21.976 2.090 536 HD23 LEU 73 2HD2 LEU 73 -12.687 22.581 2.129 537 H TYR 74 H TYR 74 -15.430 22.061 6.069 538 HA TYR 74 HA TYR 74 -13.357 22.885 7.830 539 HB2 TYR 74 1HB TYR 74 -16.214 23.612 7.401 540 HB3 TYR 74 2HB TYR 74 -15.476 24.065 8.934 541 HD1 TYR 74 HD1 TYR 74 -13.888 23.957 5.573 542 HD2 TYR 74 HD2 TYR 74 -15.299 26.394 8.763 543 HE1 TYR 74 HE1 TYR 74 -12.885 25.930 4.501 544 HE2 TYR 74 HE2 TYR 74 -14.301 28.374 7.699 545 HH TYR 74 HH TYR 74 -12.791 29.044 6.106 546 H ALA 75 H ALA 75 -16.061 20.691 8.101 547 HA ALA 75 HA ALA 75 -15.969 20.461 10.951 548 HB1 ALA 75 1HB ALA 75 -18.004 19.710 10.418 549 HB2 ALA 75 2HB ALA 75 -17.525 19.318 8.766 550 HB3 ALA 75 3HB ALA 75 -17.205 18.176 10.071 551 H LEU 76 H LEU 76 -14.419 18.850 8.268 552 HA LEU 76 HA LEU 76 -13.443 16.646 9.835 553 HB2 LEU 76 1HB LEU 76 -13.060 17.619 7.043 554 HB3 LEU 76 2HB LEU 76 -11.909 16.462 7.711 555 HG LEU 76 HG LEU 76 -14.061 15.726 6.323 556 HD11 LEU 76 1HD1 LEU 76 -12.134 14.459 7.706 557 HD12 LEU 76 2HD1 LEU 76 -13.472 13.632 6.909 558 HD13 LEU 76 3HD1 LEU 76 -13.551 13.974 8.637 559 HD21 LEU 76 3HD2 LEU 76 -15.586 16.797 7.976 560 HD22 LEU 76 1HD2 LEU 76 -15.028 15.630 9.175 561 HD23 LEU 76 2HD2 LEU 76 -15.881 15.074 7.735 562 H GLU 77 H GLU 77 -11.986 19.554 8.391 563 HA GLU 77 HA GLU 77 -9.376 19.167 9.274 564 HB2 GLU 77 1HB GLU 77 -8.979 21.411 8.731 565 HB3 GLU 77 2HB GLU 77 -10.304 20.947 7.673 566 HG2 GLU 77 1HG GLU 77 -11.152 22.902 8.398 567 HG3 GLU 77 2HG GLU 77 -11.727 21.887 9.719 568 H ASP 78 H ASP 78 -12.199 20.231 10.993 569 HA ASP 78 HA ASP 78 -10.828 21.372 13.221 570 HB2 ASP 78 1HB ASP 78 -13.324 21.637 12.410 571 HB3 ASP 78 2HB ASP 78 -13.591 20.256 13.471 572 H GLU 79 H GLU 79 -11.720 18.165 12.288 573 HA GLU 79 HA GLU 79 -11.211 17.126 14.976 574 HB2 GLU 79 1HB GLU 79 -12.044 15.563 12.533 575 HB3 GLU 79 2HB GLU 79 -12.127 15.051 14.213 576 HG2 GLU 79 1HG GLU 79 -13.612 17.448 13.968 577 HG3 GLU 79 2HG GLU 79 -14.093 16.373 12.656 578 H GLY 80 H GLY 80 -9.696 17.521 11.928 579 HA2 GLY 80 1HA GLY 80 -7.491 17.129 11.347 580 HA3 GLY 80 2HA GLY 80 -7.244 16.399 12.927 581 H LYS 81 H LYS 81 -9.718 15.395 10.647 582 HA LYS 81 HA LYS 81 -8.347 12.800 10.426 583 HB2 LYS 81 1HB LYS 81 -11.276 13.404 9.988 584 HB3 LYS 81 2HB LYS 81 -10.526 11.814 10.017 585 HG2 LYS 81 1HG LYS 81 -10.423 13.642 12.390 586 HG3 LYS 81 2HG LYS 81 -11.797 12.574 12.093 587 HD2 LYS 81 1HD LYS 81 -10.596 11.096 13.296 588 HD3 LYS 81 2HD LYS 81 -9.730 10.848 11.778 589 HE2 LYS 81 1HE LYS 81 -7.898 12.033 12.472 590 HE3 LYS 81 2HE LYS 81 -8.835 13.048 13.567 591 HZ1 LYS 81 3HZ LYS 81 -7.466 10.597 14.094 592 HZ2 LYS 81 1HZ LYS 81 -9.079 10.533 14.598 593 HZ3 LYS 81 2HZ LYS 81 -8.060 11.752 15.178 594 H LEU 82 H LEU 82 -9.373 15.545 8.679 595 HA LEU 82 HA LEU 82 -9.928 14.595 6.153 596 HB2 LEU 82 1HB LEU 82 -9.844 17.009 7.088 597 HB3 LEU 82 2HB LEU 82 -8.170 16.988 6.538 598 HG LEU 82 HG LEU 82 -9.067 16.424 4.240 599 HD11 LEU 82 1HD1 LEU 82 -11.333 16.724 3.737 600 HD12 LEU 82 2HD1 LEU 82 -11.674 17.471 5.297 601 HD13 LEU 82 3HD1 LEU 82 -11.329 15.744 5.204 602 HD21 LEU 82 3HD2 LEU 82 -8.353 18.574 4.262 603 HD22 LEU 82 1HD2 LEU 82 -9.309 18.995 5.684 604 HD23 LEU 82 2HD2 LEU 82 -10.081 18.895 4.101 605 H ASP 83 H ASP 83 -6.739 15.313 7.548 606 HA ASP 83 HA ASP 83 -5.129 14.804 5.376 607 HB2 ASP 83 1HB ASP 83 -4.313 15.634 7.558 608 HB3 ASP 83 2HB ASP 83 -4.556 14.030 8.245 609 H SER 84 H SER 84 -6.473 12.469 7.679 610 HA SER 84 HA SER 84 -5.210 10.204 6.507 611 HB2 SER 84 1HB SER 84 -7.554 10.495 8.390 612 HB3 SER 84 2HB SER 84 -6.954 8.926 7.851 613 HG SER 84 HG SER 84 -5.880 9.341 9.712 614 H LEU 85 H LEU 85 -8.101 11.983 5.823 615 HA LEU 85 HA LEU 85 -9.447 9.952 4.350 616 HB2 LEU 85 1HB LEU 85 -9.823 12.777 4.962 617 HB3 LEU 85 2HB LEU 85 -10.357 12.346 3.339 618 HG LEU 85 HG LEU 85 -12.158 12.294 5.047 619 HD11 LEU 85 1HD1 LEU 85 -11.664 9.522 4.016 620 HD12 LEU 85 2HD1 LEU 85 -12.049 10.858 2.932 621 HD13 LEU 85 3HD1 LEU 85 -13.192 10.386 4.188 622 HD21 LEU 85 3HD2 LEU 85 -12.213 10.503 6.678 623 HD22 LEU 85 1HD2 LEU 85 -10.779 11.500 6.924 624 HD23 LEU 85 2HD2 LEU 85 -10.635 9.928 6.137 625 H LEU 86 H LEU 86 -7.092 12.420 3.554 626 HA LEU 86 HA LEU 86 -7.353 12.155 0.720 627 HB2 LEU 86 1HB LEU 86 -4.853 13.145 2.003 628 HB3 LEU 86 2HB LEU 86 -5.670 13.715 0.549 629 HG LEU 86 HG LEU 86 -6.402 14.281 3.415 630 HD11 LEU 86 1HD1 LEU 86 -4.614 15.655 2.523 631 HD12 LEU 86 2HD1 LEU 86 -6.084 16.610 2.711 632 HD13 LEU 86 3HD1 LEU 86 -5.595 16.051 1.111 633 HD21 LEU 86 3HD2 LEU 86 -8.087 14.182 1.061 634 HD22 LEU 86 1HD2 LEU 86 -8.048 15.793 1.778 635 HD23 LEU 86 2HD2 LEU 86 -8.525 14.404 2.756 636 H LYS 87 H LYS 87 -5.617 10.477 3.192 637 HA LYS 87 HA LYS 87 -3.852 9.169 1.274 638 HB2 LYS 87 1HB LYS 87 -3.898 9.554 4.180 639 HB3 LYS 87 2HB LYS 87 -3.423 7.932 3.693 640 HG2 LYS 87 1HG LYS 87 -2.061 9.865 2.078 641 HG3 LYS 87 2HG LYS 87 -1.832 10.236 3.788 642 HD2 LYS 87 1HD LYS 87 -1.523 7.415 2.874 643 HD3 LYS 87 2HD LYS 87 -0.229 8.567 2.533 644 HE2 LYS 87 1HE LYS 87 -1.398 8.094 5.271 645 HE3 LYS 87 2HE LYS 87 0.047 7.288 4.663 646 HZ1 LYS 87 3HZ LYS 87 0.150 10.137 4.365 647 HZ2 LYS 87 1HZ LYS 87 1.280 9.083 5.053 648 HZ3 LYS 87 2HZ LYS 87 -0.010 9.662 5.980 649 H THR 88 H THR 88 -6.723 8.559 3.147 650 HA THR 88 HA THR 88 -6.679 5.708 2.584 651 HB THR 88 HB THR 88 -8.825 5.645 3.815 652 HG1 THR 88 HG1 THR 88 -9.300 7.736 4.942 653 HG21 THR 88 3HG2 THR 88 -7.413 5.308 5.514 654 HG22 THR 88 1HG2 THR 88 -7.599 7.018 5.901 655 HG23 THR 88 2HG2 THR 88 -6.263 6.484 4.880 656 H GLY 89 H GLY 89 -8.482 8.592 1.618 657 HA2 GLY 89 1HA GLY 89 -9.501 8.949 -0.455 658 HA3 GLY 89 2HA GLY 89 -9.287 7.245 -0.827 659 H LYS 90 H LYS 90 -10.603 7.626 2.233 660 HA LYS 90 HA LYS 90 -13.320 8.083 1.653 661 HB2 LYS 90 1HB LYS 90 -14.216 5.825 1.805 662 HB3 LYS 90 2HB LYS 90 -13.117 5.951 0.437 663 HG2 LYS 90 1HG LYS 90 -11.966 5.024 2.999 664 HG3 LYS 90 2HG LYS 90 -13.061 3.923 2.160 665 HD2 LYS 90 1HD LYS 90 -11.699 3.919 0.213 666 HD3 LYS 90 2HD LYS 90 -10.728 5.267 0.809 667 HE2 LYS 90 1HE LYS 90 -9.812 3.884 2.562 668 HE3 LYS 90 2HE LYS 90 -10.873 2.550 2.111 669 HZ1 LYS 90 3HZ LYS 90 -9.361 1.873 0.665 670 HZ2 LYS 90 1HZ LYS 90 -8.331 3.135 1.121 671 HZ3 LYS 90 2HZ LYS 90 -9.423 3.354 -0.152 672 H LEU 91 H LEU 91 -14.739 7.530 3.506 673 HA LEU 91 HA LEU 91 -13.491 8.225 5.952 674 HB2 LEU 91 1HB LEU 91 -16.253 7.356 5.187 675 HB3 LEU 91 2HB LEU 91 -15.811 7.567 6.880 676 HG LEU 91 HG LEU 91 -15.550 9.754 4.826 677 HD11 LEU 91 1HD1 LEU 91 -17.852 9.324 4.837 678 HD12 LEU 91 2HD1 LEU 91 -17.637 10.637 5.993 679 HD13 LEU 91 3HD1 LEU 91 -17.871 8.986 6.568 680 HD21 LEU 91 3HD2 LEU 91 -15.995 10.701 7.443 681 HD22 LEU 91 1HD2 LEU 91 -14.526 10.827 6.475 682 HD23 LEU 91 2HD2 LEU 91 -14.755 9.451 7.555 683 H ILE 92 H ILE 92 -12.351 6.937 7.225 684 HA ILE 92 HA ILE 92 -12.025 4.210 6.953 685 HB ILE 92 HB ILE 92 -11.111 4.207 9.245 686 HG12 ILE 92 1HG1 ILE 92 -11.750 7.141 9.405 687 HG13 ILE 92 2HG1 ILE 92 -12.884 5.938 10.011 688 HG21 ILE 92 1HG2 ILE 92 -9.265 5.653 8.809 689 HG22 ILE 92 2HG2 ILE 92 -9.816 5.011 7.263 690 HG23 ILE 92 3HG2 ILE 92 -10.234 6.658 7.732 691 HD11 ILE 92 3HD1 ILE 92 -11.779 5.946 11.921 692 HD12 ILE 92 1HD1 ILE 92 -10.389 5.259 11.083 693 HD13 ILE 92 2HD1 ILE 92 -10.543 7.008 11.249
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