NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
27298 | 2pxg | 6797 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 25.795 -9.928 -16.993 2 H1 MET 1 1H MET 1 24.816 -8.650 -18.935 3 H2 MET 1 2H MET 1 24.816 -10.283 -19.212 4 H3 MET 1 3H MET 1 23.425 -9.520 -18.790 5 HB2 MET 1 1HB MET 1 23.191 -8.308 -16.507 6 HB3 MET 1 2HB MET 1 24.291 -8.808 -15.241 7 HG2 MET 1 1HG MET 1 26.180 -7.478 -16.277 8 HG3 MET 1 2HG MET 1 25.071 -6.888 -17.535 9 HE1 MET 1 3HE MET 1 25.580 -4.389 -16.819 10 HE2 MET 1 1HE MET 1 25.429 -3.797 -15.143 11 HE3 MET 1 2HE MET 1 26.694 -4.986 -15.553 12 H ALA 2 H ALA 2 25.569 -11.625 -15.584 13 HA ALA 2 HA ALA 2 23.280 -13.554 -16.029 14 HB1 ALA 2 3HB ALA 2 25.612 -14.383 -16.085 15 HB2 ALA 2 1HB ALA 2 25.896 -13.831 -14.413 16 HB3 ALA 2 2HB ALA 2 24.723 -15.119 -14.740 17 H GLY 3 H GLY 3 21.551 -12.596 -14.996 18 HA2 GLY 3 1HA GLY 3 21.357 -12.978 -12.008 19 HA3 GLY 3 2HA GLY 3 21.332 -11.298 -12.545 20 H SER 4 H SER 4 19.594 -14.352 -12.653 21 HA SER 4 HA SER 4 17.216 -13.175 -14.053 22 HG SER 4 HG SER 4 17.466 -17.084 -12.978 23 HB2 SER 4 1HB SER 4 16.255 -15.433 -13.861 24 HB3 SER 4 2HB SER 4 17.855 -15.413 -14.612 25 H GLY 5 H GLY 5 16.840 -11.503 -12.550 26 HA2 GLY 5 1HA GLY 5 15.875 -11.960 -9.791 27 HA3 GLY 5 2HA GLY 5 15.740 -10.461 -10.675 28 H ILE 6 H ILE 6 14.279 -13.658 -10.635 29 HA ILE 6 HA ILE 6 11.677 -12.652 -11.607 30 HB ILE 6 HB ILE 6 12.505 -14.701 -12.391 31 HG12 ILE 6 1HG1 ILE 6 9.834 -15.198 -10.928 32 HG13 ILE 6 2HG1 ILE 6 10.000 -14.107 -12.296 33 HG21 ILE 6 1HG2 ILE 6 12.563 -16.817 -11.149 34 HG22 ILE 6 2HG2 ILE 6 13.531 -15.612 -10.280 35 HG23 ILE 6 3HG2 ILE 6 11.925 -16.059 -9.669 36 HD11 ILE 6 3HD1 ILE 6 10.579 -17.139 -12.404 37 HD12 ILE 6 1HD1 ILE 6 9.192 -16.280 -13.099 38 HD13 ILE 6 2HD1 ILE 6 10.819 -16.010 -13.760 39 H ILE 7 H ILE 7 11.388 -11.076 -9.965 40 HA ILE 7 HA ILE 7 10.482 -11.877 -7.277 41 HB ILE 7 HB ILE 7 11.646 -9.823 -7.637 42 HG12 ILE 7 1HG1 ILE 7 10.245 -8.247 -6.279 43 HG13 ILE 7 2HG1 ILE 7 8.835 -9.274 -6.486 44 HG21 ILE 7 1HG2 ILE 7 10.672 -7.763 -8.566 45 HG22 ILE 7 2HG2 ILE 7 10.696 -9.000 -9.828 46 HG23 ILE 7 3HG2 ILE 7 9.168 -8.593 -9.022 47 HD11 ILE 7 3HD1 ILE 7 9.991 -9.594 -4.268 48 HD12 ILE 7 1HD1 ILE 7 9.979 -11.117 -5.171 49 HD13 ILE 7 2HD1 ILE 7 11.468 -10.143 -5.085 50 H TYR 8 H TYR 8 8.999 -13.473 -7.951 51 HA TYR 8 HA TYR 8 6.338 -12.704 -9.013 52 HD1 TYR 8 HD2 TYR 8 5.412 -14.503 -10.982 53 HD2 TYR 8 HD1 TYR 8 5.178 -16.288 -7.068 54 HE1 TYR 8 HE2 TYR 8 3.191 -15.389 -11.515 55 HE2 TYR 8 HE1 TYR 8 2.958 -17.170 -7.604 56 HH TYR 8 HH TYR 8 1.382 -17.331 -9.112 57 HB2 TYR 8 1HB TYR 8 7.511 -14.849 -9.510 58 HB3 TYR 8 2HB TYR 8 7.331 -15.376 -7.847 59 H LYS 9 H LYS 9 5.330 -11.293 -7.657 60 HA LYS 9 HA LYS 9 3.805 -12.612 -5.456 61 HB2 LYS 9 1HB LYS 9 5.776 -11.576 -4.237 62 HB3 LYS 9 2HB LYS 9 5.335 -9.985 -4.856 63 HG2 LYS 9 1HG LYS 9 3.066 -10.183 -3.681 64 HG3 LYS 9 2HG LYS 9 3.528 -11.781 -3.080 65 HD2 LYS 9 1HD LYS 9 5.448 -10.763 -1.795 66 HD3 LYS 9 2HD LYS 9 5.057 -9.163 -2.448 67 HE2 LYS 9 1HE LYS 9 2.743 -9.277 -1.390 68 HE3 LYS 9 2HE LYS 9 3.097 -10.883 -0.750 69 HZ1 LYS 9 3HZ LYS 9 4.729 -8.436 -0.042 70 HZ2 LYS 9 1HZ LYS 9 3.510 -9.036 0.903 71 HZ3 LYS 9 2HZ LYS 9 4.888 -9.919 0.641 72 H GLN 10 H GLN 10 1.764 -12.110 -5.833 73 HA GLN 10 HA GLN 10 0.997 -9.536 -7.305 74 HB2 GLN 10 1HB GLN 10 -0.678 -12.052 -6.690 75 HB3 GLN 10 2HB GLN 10 -1.315 -10.572 -7.357 76 HG2 GLN 10 1HG GLN 10 -1.072 -11.916 -9.209 77 HG3 GLN 10 2HG GLN 10 0.207 -10.744 -9.361 78 HE21 GLN 10 1HE2 GLN 10 -0.144 -13.983 -7.839 79 HE22 GLN 10 2HE2 GLN 10 1.409 -14.594 -8.622 80 HA PRO 11 HA PRO 11 -0.032 -8.583 -2.837 81 HB2 PRO 11 1HB PRO 11 0.497 -5.880 -2.771 82 HB3 PRO 11 2HB PRO 11 1.771 -7.107 -2.954 83 HG2 PRO 11 1HG PRO 11 0.398 -5.514 -5.205 84 HG3 PRO 11 2HG PRO 11 2.148 -5.647 -4.908 85 HD2 PRO 11 1HD PRO 11 0.804 -7.307 -6.719 86 HD3 PRO 11 2HD PRO 11 2.213 -7.892 -5.792 87 H ILE 12 H ILE 12 -2.070 -9.274 -4.092 88 HA ILE 12 HA ILE 12 -4.237 -7.149 -3.973 89 HB ILE 12 HB ILE 12 -4.122 -8.583 -5.918 90 HG12 ILE 12 1HG1 ILE 12 -6.565 -9.402 -5.959 91 HG13 ILE 12 2HG1 ILE 12 -6.724 -8.870 -4.291 92 HG21 ILE 12 1HG2 ILE 12 -4.789 -10.930 -5.997 93 HG22 ILE 12 2HG2 ILE 12 -3.371 -10.787 -4.955 94 HG23 ILE 12 3HG2 ILE 12 -4.977 -11.021 -4.227 95 HD11 ILE 12 3HD1 ILE 12 -5.982 -7.117 -6.747 96 HD12 ILE 12 1HD1 ILE 12 -7.547 -7.152 -5.921 97 HD13 ILE 12 2HD1 ILE 12 -6.134 -6.470 -5.101 98 H TYR 13 H TYR 13 -3.805 -6.828 -1.738 99 HA TYR 13 HA TYR 13 -5.499 -8.502 0.071 100 HD1 TYR 13 HD1 TYR 13 -4.703 -11.241 0.603 101 HD2 TYR 13 HD2 TYR 13 -3.212 -8.287 3.357 102 HE1 TYR 13 HE1 TYR 13 -5.462 -12.612 2.501 103 HE2 TYR 13 HE2 TYR 13 -3.982 -9.663 5.247 104 HH TYR 13 HH TYR 13 -5.055 -11.572 5.907 105 HB2 TYR 13 1HB TYR 13 -3.025 -9.530 -0.136 106 HB3 TYR 13 2HB TYR 13 -2.533 -8.211 0.894 107 H GLN 14 H GLN 14 -6.325 -7.410 1.573 108 HA GLN 14 HA GLN 14 -6.260 -4.580 1.733 109 HB2 GLN 14 1HB GLN 14 -7.957 -4.799 3.464 110 HB3 GLN 14 2HB GLN 14 -8.236 -5.898 2.143 111 HG2 GLN 14 1HG GLN 14 -7.023 -6.731 4.868 112 HG3 GLN 14 2HG GLN 14 -8.730 -6.744 4.474 113 HE21 GLN 14 1HE2 GLN 14 -7.940 -8.973 5.399 114 HE22 GLN 14 2HE2 GLN 14 -7.688 -10.195 4.045 115 H GLY 15 H GLY 15 -4.470 -6.648 3.819 116 HA2 GLY 15 1HA GLY 15 -2.902 -4.198 4.717 117 HA3 GLY 15 2HA GLY 15 -3.557 -5.157 6.030 118 H ASN 16 H ASN 16 -1.590 -5.525 3.070 119 HA ASN 16 HA ASN 16 0.291 -7.290 4.712 120 HB2 ASN 16 1HB ASN 16 -0.945 -8.435 2.829 121 HB3 ASN 16 2HB ASN 16 -0.144 -7.416 1.664 122 HD21 ASN 16 1HD2 ASN 16 0.288 -10.006 3.984 123 HD22 ASN 16 2HD2 ASN 16 1.923 -10.522 3.324 124 H LEU 17 H LEU 17 1.400 -5.939 1.653 125 HA LEU 17 HA LEU 17 3.468 -4.345 3.134 126 HG LEU 17 HG LEU 17 2.019 -4.759 -0.375 127 HB2 LEU 17 1HB LEU 17 4.557 -3.889 1.131 128 HB3 LEU 17 2HB LEU 17 4.124 -5.562 1.218 129 HD11 LEU 17 1HD1 LEU 17 2.761 -3.004 -1.974 130 HD12 LEU 17 2HD1 LEU 17 2.741 -2.289 -0.360 131 HD13 LEU 17 3HD1 LEU 17 4.282 -2.756 -1.091 132 HD21 LEU 17 3HD2 LEU 17 3.449 -5.376 -2.350 133 HD22 LEU 17 1HD2 LEU 17 4.914 -5.260 -1.352 134 HD23 LEU 17 2HD2 LEU 17 3.683 -6.502 -1.004 135 H ILE 18 H ILE 18 0.740 -3.504 1.098 136 HA ILE 18 HA ILE 18 0.752 -0.644 1.268 137 HB ILE 18 HB ILE 18 -1.279 -2.848 0.714 138 HG12 ILE 18 1HG1 ILE 18 0.369 -2.058 -0.987 139 HG13 ILE 18 2HG1 ILE 18 -1.301 -1.944 -1.477 140 HG21 ILE 18 1HG2 ILE 18 -2.863 -1.424 1.843 141 HG22 ILE 18 2HG2 ILE 18 -2.243 0.013 0.997 142 HG23 ILE 18 3HG2 ILE 18 -3.083 -1.266 0.094 143 HD11 ILE 18 3HD1 ILE 18 0.213 0.026 -2.128 144 HD12 ILE 18 1HD1 ILE 18 -1.326 0.460 -1.373 145 HD13 ILE 18 2HD1 ILE 18 0.173 0.567 -0.418 146 H LYS 19 H LYS 19 -0.899 -2.717 3.690 147 HA LYS 19 HA LYS 19 -0.138 -0.769 5.747 148 HB2 LYS 19 1HB LYS 19 -2.309 -0.074 6.660 149 HB3 LYS 19 2HB LYS 19 -1.836 0.678 5.157 150 HG2 LYS 19 1HG LYS 19 -3.427 -0.750 3.870 151 HG3 LYS 19 2HG LYS 19 -3.866 -1.637 5.327 152 HD2 LYS 19 1HD LYS 19 -4.585 0.741 6.307 153 HD3 LYS 19 2HD LYS 19 -4.393 1.341 4.694 154 HE2 LYS 19 1HE LYS 19 -6.557 -0.361 5.878 155 HE3 LYS 19 2HE LYS 19 -6.661 0.981 4.772 156 HZ1 LYS 19 3HZ LYS 19 -6.008 -0.538 2.894 157 HZ2 LYS 19 1HZ LYS 19 -5.801 -1.819 3.914 158 HZ3 LYS 19 2HZ LYS 19 -7.298 -1.156 3.640 159 H GLN 20 H GLN 20 0.741 -3.099 6.021 160 HA GLN 20 HA GLN 20 -0.827 -4.159 8.390 161 HB2 GLN 20 1HB GLN 20 0.233 -5.701 6.766 162 HB3 GLN 20 2HB GLN 20 1.831 -5.150 7.209 163 HG2 GLN 20 1HG GLN 20 -0.193 -6.402 9.201 164 HG3 GLN 20 2HG GLN 20 0.877 -7.359 8.218 165 HE21 GLN 20 1HE2 GLN 20 3.235 -7.087 8.578 166 HE22 GLN 20 2HE2 GLN 20 3.738 -6.617 10.286 167 H ASN 21 H ASN 21 2.582 -3.187 8.027 168 HA ASN 21 HA ASN 21 2.482 -0.943 9.817 169 HB2 ASN 21 1HB ASN 21 3.729 -3.492 11.123 170 HB3 ASN 21 2HB ASN 21 4.154 -1.874 11.613 171 HD21 ASN 21 1HD2 ASN 21 1.721 -4.313 11.969 172 HD22 ASN 21 2HD2 ASN 21 0.857 -3.348 13.276 173 H ALA 22 H ALA 22 3.226 -0.777 7.600 174 HA ALA 22 HA ALA 22 6.270 -0.921 7.292 175 HB1 ALA 22 3HB ALA 22 5.342 -3.023 6.350 176 HB2 ALA 22 1HB ALA 22 4.231 -2.127 5.288 177 HB3 ALA 22 2HB ALA 22 5.988 -2.009 5.048 178 H VAL 23 H VAL 23 3.449 0.034 5.267 179 HA VAL 23 HA VAL 23 4.725 2.585 4.463 180 HB VAL 23 HB VAL 23 1.746 1.891 4.298 181 HG11 VAL 23 1HG1 VAL 23 1.763 3.620 2.387 182 HG12 VAL 23 2HG1 VAL 23 2.047 4.353 3.982 183 HG13 VAL 23 3HG1 VAL 23 3.406 4.098 2.865 184 HG21 VAL 23 3HG2 VAL 23 2.136 1.235 1.977 185 HG22 VAL 23 1HG2 VAL 23 3.865 1.691 2.034 186 HG23 VAL 23 2HG2 VAL 23 3.267 0.293 2.939 187 H GLU 24 H GLU 24 2.634 1.829 7.251 188 HA GLU 24 HA GLU 24 2.639 4.695 8.170 189 HB2 GLU 24 1HB GLU 24 0.928 2.808 8.779 190 HB3 GLU 24 2HB GLU 24 2.134 2.190 9.874 191 HG2 GLU 24 1HG GLU 24 1.156 5.139 10.053 192 HG3 GLU 24 2HG GLU 24 0.166 3.842 10.624 193 H GLN 25 H GLN 25 4.525 1.775 8.887 194 HA GLN 25 HA GLN 25 6.255 2.978 10.941 195 HB2 GLN 25 1HB GLN 25 5.724 0.542 10.753 196 HB3 GLN 25 2HB GLN 25 6.624 0.437 9.248 197 HG2 GLN 25 1HG GLN 25 7.914 -0.506 11.027 198 HG3 GLN 25 2HG GLN 25 8.772 0.888 10.426 199 HE21 GLN 25 1HE2 GLN 25 8.809 2.795 11.817 200 HE22 GLN 25 2HE2 GLN 25 8.539 2.541 13.628 201 H LEU 26 H LEU 26 6.788 2.722 7.389 202 HA LEU 26 HA LEU 26 9.490 3.485 7.318 203 HG LEU 26 HG LEU 26 6.235 4.144 5.445 204 HB2 LEU 26 1HB LEU 26 9.293 4.229 5.075 205 HB3 LEU 26 2HB LEU 26 8.419 2.759 5.411 206 HD11 LEU 26 1HD1 LEU 26 7.967 6.216 3.927 207 HD12 LEU 26 2HD1 LEU 26 6.186 6.226 4.069 208 HD13 LEU 26 3HD1 LEU 26 7.172 6.504 5.481 209 HD21 LEU 26 3HD2 LEU 26 7.880 3.878 2.837 210 HD22 LEU 26 1HD2 LEU 26 6.874 2.601 3.579 211 HD23 LEU 26 2HD2 LEU 26 6.109 4.050 2.923 212 H GLN 27 H GLN 27 7.007 5.726 8.119 213 HA GLN 27 HA GLN 27 7.016 8.099 8.472 214 HB2 GLN 27 1HB GLN 27 7.634 6.537 10.392 215 HB3 GLN 27 2HB GLN 27 9.296 7.072 10.242 216 HG2 GLN 27 1HG GLN 27 8.713 9.368 10.929 217 HG3 GLN 27 2HG GLN 27 7.005 9.117 10.629 218 HE21 GLN 27 1HE2 GLN 27 9.617 8.063 12.742 219 HE22 GLN 27 2HE2 GLN 27 8.477 7.562 14.094 220 H VAL 28 H VAL 28 8.188 8.047 6.125 221 HA VAL 28 HA VAL 28 10.682 9.726 6.151 222 HB VAL 28 HB VAL 28 9.056 8.548 3.796 223 HG11 VAL 28 1HG1 VAL 28 10.401 10.443 2.948 224 HG12 VAL 28 2HG1 VAL 28 11.846 9.902 3.835 225 HG13 VAL 28 3HG1 VAL 28 11.208 8.953 2.463 226 HG21 VAL 28 3HG2 VAL 28 10.989 6.903 3.611 227 HG22 VAL 28 1HG2 VAL 28 11.651 7.510 5.150 228 HG23 VAL 28 2HG2 VAL 28 10.077 6.688 5.100 229 H GLY 29 H GLY 29 10.629 11.846 6.053 230 HA2 GLY 29 1HA GLY 29 8.234 13.414 4.891 231 HA3 GLY 29 2HA GLY 29 9.205 14.026 6.198 232 H GLN 30 H GLN 30 9.886 12.558 3.060 233 HA GLN 30 HA GLN 30 12.012 14.704 2.548 234 HB2 GLN 30 1HB GLN 30 12.708 12.427 3.436 235 HB3 GLN 30 2HB GLN 30 12.201 11.687 1.927 236 HG2 GLN 30 1HG GLN 30 14.336 13.926 2.145 237 HG3 GLN 30 2HG GLN 30 14.687 12.224 2.305 238 HE21 GLN 30 1HE2 GLN 30 14.572 14.672 0.050 239 HE22 GLN 30 2HE2 GLN 30 14.638 13.557 -1.409 240 H SER 31 H SER 31 10.032 12.346 0.610 241 HA SER 31 HA SER 31 10.138 14.343 -1.667 242 HG SER 31 HG SER 31 10.925 13.687 -3.795 243 HB2 SER 31 1HB SER 31 12.242 13.153 -1.895 244 HB3 SER 31 2HB SER 31 11.460 11.579 -1.860 245 H LYS 32 H LYS 32 8.655 14.263 -3.111 246 HA LYS 32 HA LYS 32 6.199 12.662 -2.670 247 HB2 LYS 32 1HB LYS 32 5.058 14.016 -4.127 248 HB3 LYS 32 2HB LYS 32 6.175 15.095 -3.351 249 HG2 LYS 32 1HG LYS 32 6.387 13.996 -6.249 250 HG3 LYS 32 2HG LYS 32 5.743 15.531 -5.744 251 HD2 LYS 32 1HD LYS 32 8.169 15.939 -4.698 252 HD3 LYS 32 2HD LYS 32 8.653 14.591 -5.667 253 HE2 LYS 32 1HE LYS 32 9.235 16.468 -6.931 254 HE3 LYS 32 2HE LYS 32 7.805 15.855 -7.767 255 HZ1 LYS 32 3HZ LYS 32 6.545 17.690 -7.049 256 HZ2 LYS 32 1HZ LYS 32 7.283 17.789 -5.573 257 HZ3 LYS 32 2HZ LYS 32 8.003 18.472 -6.868 258 H GLN 33 H GLN 33 8.392 12.793 -5.287 259 HA GLN 33 HA GLN 33 7.390 10.441 -6.779 260 HB2 GLN 33 1HB GLN 33 9.403 10.636 -8.152 261 HB3 GLN 33 2HB GLN 33 8.605 12.176 -7.921 262 HG2 GLN 33 1HG GLN 33 10.413 12.714 -6.081 263 HG3 GLN 33 2HG GLN 33 11.228 11.242 -6.568 264 HE21 GLN 33 1HE2 GLN 33 11.401 14.508 -7.023 265 HE22 GLN 33 2HE2 GLN 33 12.105 14.409 -8.716 266 H GLN 34 H GLN 34 9.630 10.566 -4.091 267 HA GLN 34 HA GLN 34 10.557 7.733 -4.453 268 HB2 GLN 34 1HB GLN 34 10.678 9.543 -1.970 269 HB3 GLN 34 2HB GLN 34 11.308 7.916 -2.013 270 HG2 GLN 34 1HG GLN 34 12.299 10.167 -3.884 271 HG3 GLN 34 2HG GLN 34 13.021 9.777 -2.348 272 HE21 GLN 34 1HE2 GLN 34 14.406 7.979 -2.245 273 HE22 GLN 34 2HE2 GLN 34 14.834 7.034 -3.769 274 H VAL 35 H VAL 35 8.040 9.232 -2.298 275 HA VAL 35 HA VAL 35 7.237 6.560 -1.294 276 HB VAL 35 HB VAL 35 6.966 8.683 0.005 277 HG11 VAL 35 1HG1 VAL 35 5.826 10.124 -1.781 278 HG12 VAL 35 2HG1 VAL 35 4.373 9.148 -1.611 279 HG13 VAL 35 3HG1 VAL 35 4.975 10.086 -0.223 280 HG21 VAL 35 3HG2 VAL 35 5.885 6.551 0.719 281 HG22 VAL 35 1HG2 VAL 35 4.895 7.956 1.160 282 HG23 VAL 35 2HG2 VAL 35 4.431 6.941 -0.228 283 H SER 36 H SER 36 6.045 8.518 -3.987 284 HA SER 36 HA SER 36 3.849 6.566 -4.619 285 HG SER 36 HG SER 36 2.768 8.475 -7.262 286 HB2 SER 36 1HB SER 36 4.031 9.170 -5.307 287 HB3 SER 36 2HB SER 36 4.913 8.527 -6.702 288 H ALA 37 H ALA 37 7.206 6.977 -5.847 289 HA ALA 37 HA ALA 37 7.028 4.712 -7.752 290 HB1 ALA 37 3HB ALA 37 9.532 4.810 -7.718 291 HB2 ALA 37 1HB ALA 37 8.826 6.425 -7.904 292 HB3 ALA 37 2HB ALA 37 9.486 5.923 -6.330 293 H LEU 38 H LEU 38 8.032 4.824 -4.314 294 HA LEU 38 HA LEU 38 8.552 1.905 -4.144 295 HG LEU 38 HG LEU 38 10.287 1.840 -2.357 296 HB2 LEU 38 1HB LEU 38 8.240 4.148 -2.075 297 HB3 LEU 38 2HB LEU 38 8.061 2.501 -1.526 298 HD11 LEU 38 1HD1 LEU 38 10.693 3.559 -4.183 299 HD12 LEU 38 2HD1 LEU 38 10.764 4.844 -2.962 300 HD13 LEU 38 3HD1 LEU 38 11.987 3.557 -2.978 301 HD21 LEU 38 3HD2 LEU 38 11.535 3.068 -0.551 302 HD22 LEU 38 1HD2 LEU 38 10.246 4.292 -0.464 303 HD23 LEU 38 2HD2 LEU 38 9.918 2.606 0.006 304 H LEU 39 H LEU 39 5.582 3.746 -3.295 305 HA LEU 39 HA LEU 39 3.958 1.307 -2.855 306 HG LEU 39 HG LEU 39 4.008 3.508 -1.167 307 HB2 LEU 39 1HB LEU 39 3.320 4.223 -3.622 308 HB3 LEU 39 2HB LEU 39 2.036 3.051 -3.486 309 HD11 LEU 39 1HD1 LEU 39 2.908 5.701 -1.684 310 HD12 LEU 39 2HD1 LEU 39 1.297 4.931 -1.613 311 HD13 LEU 39 3HD1 LEU 39 2.304 5.013 -0.159 312 HD21 LEU 39 3HD2 LEU 39 2.568 1.380 -1.107 313 HD22 LEU 39 1HD2 LEU 39 2.135 2.476 0.200 314 HD23 LEU 39 2HD2 LEU 39 1.105 2.378 -1.218 315 H GLY 40 H GLY 40 4.636 3.145 -5.792 316 HA2 GLY 40 1HA GLY 40 4.730 1.968 -8.010 317 HA3 GLY 40 2HA GLY 40 3.493 0.848 -7.491 318 H THR 41 H THR 41 3.930 4.329 -7.973 319 HA THR 41 HA THR 41 1.571 4.681 -9.797 320 HB THR 41 HB THR 41 1.657 5.634 -6.853 321 HG1 THR 41 HG1 THR 41 0.751 3.547 -7.883 322 HG21 THR 41 3HG2 THR 41 -0.585 6.449 -8.821 323 HG22 THR 41 1HG2 THR 41 -0.472 6.748 -7.094 324 HG23 THR 41 2HG2 THR 41 0.641 7.561 -8.184 325 HA PRO 42 HA PRO 42 4.299 8.324 -10.796 326 HB2 PRO 42 1HB PRO 42 2.494 9.967 -12.161 327 HB3 PRO 42 2HB PRO 42 3.184 8.473 -12.827 328 HG2 PRO 42 1HG PRO 42 0.465 8.784 -11.410 329 HG3 PRO 42 2HG PRO 42 0.766 8.070 -13.017 330 HD2 PRO 42 1HD PRO 42 0.545 6.478 -10.778 331 HD3 PRO 42 2HD PRO 42 1.756 6.055 -12.016 332 H SER 43 H SER 43 4.247 10.773 -10.491 333 HA SER 43 HA SER 43 2.716 11.616 -8.020 334 HG SER 43 HG SER 43 4.996 11.755 -5.732 335 HB2 SER 43 1HB SER 43 5.050 10.573 -7.462 336 HB3 SER 43 2HB SER 43 5.758 12.050 -8.116 337 H ILE 44 H ILE 44 4.207 13.999 -7.748 338 HA ILE 44 HA ILE 44 2.877 15.598 -10.043 339 HB ILE 44 HB ILE 44 2.832 16.287 -7.048 340 HG12 ILE 44 1HG1 ILE 44 0.484 15.621 -8.962 341 HG13 ILE 44 2HG1 ILE 44 1.227 14.412 -7.933 342 HG21 ILE 44 1HG2 ILE 44 2.962 18.388 -8.502 343 HG22 ILE 44 2HG2 ILE 44 1.592 17.795 -9.468 344 HG23 ILE 44 3HG2 ILE 44 1.379 18.230 -7.752 345 HD11 ILE 44 3HD1 ILE 44 -0.180 16.920 -6.836 346 HD12 ILE 44 1HD1 ILE 44 -0.770 15.249 -6.817 347 HD13 ILE 44 2HD1 ILE 44 0.662 15.696 -5.866 348 HA PRO 45 HA PRO 45 7.226 17.280 -9.857 349 HB2 PRO 45 1HB PRO 45 8.006 16.931 -12.455 350 HB3 PRO 45 2HB PRO 45 7.816 15.558 -11.342 351 HG2 PRO 45 1HG PRO 45 5.740 16.586 -13.386 352 HG3 PRO 45 2HG PRO 45 6.369 14.921 -13.247 353 HD2 PRO 45 1HD PRO 45 3.991 15.713 -11.999 354 HD3 PRO 45 2HD PRO 45 5.060 14.495 -11.260 355 H ASP 46 H ASP 46 5.496 19.016 -9.408 356 HA ASP 46 HA ASP 46 5.734 21.296 -11.413 357 HB2 ASP 46 1HB ASP 46 3.551 21.177 -10.473 358 HB3 ASP 46 2HB ASP 46 4.127 21.113 -8.820 359 HA PRO 47 HA PRO 47 9.364 22.538 -8.712 360 HB2 PRO 47 1HB PRO 47 10.502 24.414 -10.391 361 HB3 PRO 47 2HB PRO 47 10.592 22.669 -10.714 362 HG2 PRO 47 1HG PRO 47 8.561 24.668 -11.896 363 HG3 PRO 47 2HG PRO 47 9.592 23.525 -12.797 364 HD2 PRO 47 1HD PRO 47 6.945 22.958 -12.073 365 HD3 PRO 47 2HD PRO 47 8.167 21.651 -12.202 366 H PHE 48 H PHE 48 6.531 24.354 -9.546 367 HA PHE 48 HA PHE 48 7.323 26.752 -7.890 368 HD1 PHE 48 HD1 PHE 48 6.475 29.253 -8.912 369 HD2 PHE 48 HD2 PHE 48 3.091 26.966 -7.550 370 HE1 PHE 48 HE1 PHE 48 5.516 31.276 -7.879 371 HE2 PHE 48 HE2 PHE 48 2.140 28.998 -6.519 372 HZ PHE 48 HZ PHE 48 3.352 31.155 -6.678 373 HB2 PHE 48 1HB PHE 48 5.885 26.939 -9.916 374 HB3 PHE 48 2HB PHE 48 4.637 25.973 -9.179 375 H HIS 49 H HIS 49 4.530 24.446 -7.430 376 HA HIS 49 HA HIS 49 5.299 24.119 -4.533 377 HD1 HIS 49 HD1 HIS 49 4.013 23.453 -2.343 378 HD2 HIS 49 HD2 HIS 49 2.625 27.481 -2.807 379 HE1 HIS 49 HE1 HIS 49 3.237 24.391 -0.104 380 HB2 HIS 49 1HB HIS 49 4.187 26.435 -4.765 381 HB3 HIS 49 2HB HIS 49 2.678 25.613 -5.113 382 H ALA 50 H ALA 50 5.358 22.084 -5.756 383 HA ALA 50 HA ALA 50 3.001 20.667 -6.568 384 HB1 ALA 50 3HB ALA 50 5.702 19.533 -5.669 385 HB2 ALA 50 1HB ALA 50 4.444 18.637 -6.550 386 HB3 ALA 50 2HB ALA 50 5.213 20.050 -7.296 387 H GLN 51 H GLN 51 1.533 20.869 -5.075 388 HA GLN 51 HA GLN 51 1.670 19.671 -2.341 389 HB2 GLN 51 1HB GLN 51 -0.484 21.232 -3.885 390 HB3 GLN 51 2HB GLN 51 -0.762 20.664 -2.249 391 HG2 GLN 51 1HG GLN 51 1.050 21.924 -1.280 392 HG3 GLN 51 2HG GLN 51 1.752 22.334 -2.819 393 HE21 GLN 51 1HE2 GLN 51 0.740 23.903 -4.115 394 HE22 GLN 51 2HE2 GLN 51 -0.408 25.109 -3.332 395 H ARG 52 H ARG 52 -0.971 18.829 -2.028 396 HA ARG 52 HA ARG 52 -0.240 16.231 -1.693 397 HE ARG 52 HE ARG 52 -2.764 18.519 -4.100 398 HB2 ARG 52 1HB ARG 52 -2.284 15.850 -0.647 399 HB3 ARG 52 2HB ARG 52 -1.987 17.541 -0.477 400 HG2 ARG 52 1HG ARG 52 -3.995 16.172 -2.366 401 HG3 ARG 52 2HG ARG 52 -4.335 16.882 -0.809 402 HD2 ARG 52 1HD ARG 52 -5.160 18.535 -2.209 403 HD3 ARG 52 2HD ARG 52 -3.584 19.186 -1.851 404 HH11 ARG 52 2HH2 ARG 52 -6.061 17.455 -3.700 405 HH12 ARG 52 1HH2 ARG 52 -6.165 17.025 -5.473 406 HH21 ARG 52 2HH1 ARG 52 -2.961 18.070 -6.058 407 HH22 ARG 52 1HH1 ARG 52 -4.499 17.349 -6.725 408 H TRP 53 H TRP 53 -0.908 14.177 -2.199 409 HA TRP 53 HA TRP 53 -2.075 13.611 -4.992 410 HD1 TRP 53 HD1 TRP 53 -3.118 10.648 -5.310 411 HE1 TRP 53 HE1 TRP 53 -2.954 8.067 -5.195 412 HE3 TRP 53 HE3 TRP 53 1.665 10.408 -3.433 413 HZ2 TRP 53 HZ2 TRP 53 -0.810 6.222 -4.631 414 HZ3 TRP 53 HZ3 TRP 53 2.664 8.171 -3.056 415 HH2 TRP 53 HH2 TRP 53 1.461 6.130 -3.663 416 HB2 TRP 53 1HB TRP 53 0.036 12.564 -4.861 417 HB3 TRP 53 2HB TRP 53 -0.159 12.105 -3.177 418 H ASP 54 H ASP 54 -4.127 14.172 -4.284 419 HA ASP 54 HA ASP 54 -5.457 12.343 -2.179 420 HB2 ASP 54 1HB ASP 54 -5.432 14.748 -1.621 421 HB3 ASP 54 2HB ASP 54 -6.283 15.151 -3.116 422 H TYR 55 H TYR 55 -5.219 10.894 -4.148 423 HA TYR 55 HA TYR 55 -7.693 11.028 -5.945 424 HD1 TYR 55 HD2 TYR 55 -7.567 12.479 -8.312 425 HD2 TYR 55 HD1 TYR 55 -3.651 12.524 -6.524 426 HE1 TYR 55 HE2 TYR 55 -7.408 14.892 -8.708 427 HE2 TYR 55 HE1 TYR 55 -3.514 14.928 -6.867 428 HH TYR 55 HH TYR 55 -6.044 16.670 -8.667 429 HB2 TYR 55 1HB TYR 55 -4.783 10.376 -6.811 430 HB3 TYR 55 2HB TYR 55 -6.183 10.279 -7.844 431 H THR 56 H THR 56 -8.588 9.148 -6.581 432 HA THR 56 HA THR 56 -7.749 6.512 -5.418 433 HB THR 56 HB THR 56 -9.840 7.098 -7.612 434 HG1 THR 56 HG1 THR 56 -10.212 6.619 -4.824 435 HG21 THR 56 3HG2 THR 56 -10.837 4.919 -6.904 436 HG22 THR 56 1HG2 THR 56 -9.186 4.651 -7.501 437 HG23 THR 56 2HG2 THR 56 -9.504 4.626 -5.765 438 H SER 57 H SER 57 -5.707 6.165 -6.136 439 HA SER 57 HA SER 57 -5.060 5.933 -9.110 440 HG SER 57 HG SER 57 -2.439 7.531 -7.415 441 HB2 SER 57 1HB SER 57 -3.351 5.685 -6.552 442 HB3 SER 57 2HB SER 57 -2.732 5.303 -8.163 443 H THR 58 H THR 58 -4.160 3.953 -9.935 444 HA THR 58 HA THR 58 -4.659 1.410 -8.425 445 HB THR 58 HB THR 58 -6.879 1.810 -9.342 446 HG1 THR 58 HG1 THR 58 -5.370 -0.308 -10.431 447 HG21 THR 58 3HG2 THR 58 -5.701 1.415 -12.179 448 HG22 THR 58 1HG2 THR 58 -7.420 1.495 -11.729 449 HG23 THR 58 2HG2 THR 58 -6.386 2.929 -11.562 450 H GLN 59 H GLN 59 -3.441 -0.203 -8.984 451 HA GLN 59 HA GLN 59 -1.539 0.046 -11.412 452 HB2 GLN 59 1HB GLN 59 -0.557 0.612 -9.129 453 HB3 GLN 59 2HB GLN 59 -0.947 -1.025 -8.582 454 HG2 GLN 59 1HG GLN 59 0.585 -1.886 -10.534 455 HG3 GLN 59 2HG GLN 59 1.028 -0.201 -10.814 456 HE21 GLN 59 1HE2 GLN 59 3.125 -1.450 -10.397 457 HE22 GLN 59 2HE2 GLN 59 3.671 -1.472 -8.639 458 H ARG 60 H ARG 60 -1.758 -1.676 -12.799 459 HA ARG 60 HA ARG 60 -3.112 -4.188 -11.852 460 HE ARG 60 HE ARG 60 -1.567 -6.305 -14.504 461 HB2 ARG 60 1HB ARG 60 -3.561 -4.772 -13.950 462 HB3 ARG 60 2HB ARG 60 -3.667 -3.052 -14.032 463 HG2 ARG 60 1HG ARG 60 -2.103 -2.885 -15.681 464 HG3 ARG 60 2HG ARG 60 -0.908 -3.837 -14.841 465 HD2 ARG 60 1HD ARG 60 -3.242 -4.952 -16.535 466 HD3 ARG 60 2HD ARG 60 -1.526 -4.875 -17.008 467 HH11 ARG 60 2HH2 ARG 60 -2.752 -6.889 -17.716 468 HH12 ARG 60 1HH2 ARG 60 -3.079 -8.655 -17.365 469 HH21 ARG 60 2HH1 ARG 60 -2.123 -8.271 -14.068 470 HH22 ARG 60 1HH1 ARG 60 -2.674 -9.382 -15.402 471 H VAL 61 H VAL 61 -0.906 -3.938 -10.469 472 HA VAL 61 HA VAL 61 1.111 -5.967 -11.247 473 HB VAL 61 HB VAL 61 1.609 -4.055 -9.801 474 HG11 VAL 61 1HG1 VAL 61 -0.071 -5.407 -7.589 475 HG12 VAL 61 2HG1 VAL 61 1.080 -4.068 -7.347 476 HG13 VAL 61 3HG1 VAL 61 -0.360 -3.834 -8.341 477 HG21 VAL 61 3HG2 VAL 61 3.101 -5.212 -8.221 478 HG22 VAL 61 1HG2 VAL 61 2.250 -6.755 -8.474 479 HG23 VAL 61 2HG2 VAL 61 3.103 -5.979 -9.821 480 H ASP 62 H ASP 62 -2.042 -6.242 -9.876 481 HA ASP 62 HA ASP 62 -1.779 -9.104 -9.064 482 HB2 ASP 62 1HB ASP 62 -3.546 -7.571 -8.135 483 HB3 ASP 62 2HB ASP 62 -4.271 -7.406 -9.730 484 H ARG 63 H ARG 63 -2.796 -10.676 -10.134 485 HA ARG 63 HA ARG 63 -3.544 -10.541 -13.002 486 HE ARG 63 HE ARG 63 0.899 -15.070 -11.488 487 HB2 ARG 63 1HB ARG 63 -2.236 -12.203 -13.981 488 HB3 ARG 63 2HB ARG 63 -1.112 -11.170 -13.118 489 HG2 ARG 63 1HG ARG 63 -1.186 -12.989 -11.190 490 HG3 ARG 63 2HG ARG 63 -2.090 -13.989 -12.315 491 HD2 ARG 63 1HD ARG 63 -0.020 -13.596 -13.989 492 HD3 ARG 63 2HD ARG 63 0.786 -12.902 -12.599 493 HH11 ARG 63 2HH2 ARG 63 -0.957 -15.356 -14.413 494 HH12 ARG 63 1HH2 ARG 63 -0.768 -17.175 -14.440 495 HH21 ARG 63 2HH1 ARG 63 1.079 -17.105 -11.531 496 HH22 ARG 63 1HH1 ARG 63 0.344 -18.107 -12.874 497 H LEU 64 H LEU 64 -4.440 -11.567 -9.993 498 HA LEU 64 HA LEU 64 -5.953 -14.018 -10.947 499 HG LEU 64 HG LEU 64 -4.715 -15.029 -7.510 500 HB2 LEU 64 1HB LEU 64 -5.517 -12.786 -8.138 501 HB3 LEU 64 2HB LEU 64 -6.590 -14.123 -8.453 502 HD11 LEU 64 1HD1 LEU 64 -4.319 -15.680 -10.500 503 HD12 LEU 64 2HD1 LEU 64 -4.033 -16.735 -9.097 504 HD13 LEU 64 3HD1 LEU 64 -5.695 -16.234 -9.525 505 HD21 LEU 64 3HD2 LEU 64 -3.042 -13.199 -7.925 506 HD22 LEU 64 1HD2 LEU 64 -2.385 -14.827 -8.212 507 HD23 LEU 64 2HD2 LEU 64 -2.810 -13.785 -9.585 508 H ALA 65 H ALA 65 -6.687 -11.023 -9.141 509 HA ALA 65 HA ALA 65 -9.638 -11.341 -9.894 510 HB1 ALA 65 3HB ALA 65 -9.142 -11.241 -7.480 511 HB2 ALA 65 1HB ALA 65 -8.361 -9.651 -7.657 512 HB3 ALA 65 2HB ALA 65 -10.101 -9.836 -7.982 513 H ARG 66 H ARG 66 -7.356 -8.552 -9.599 514 HA ARG 66 HA ARG 66 -8.259 -7.386 -12.140 515 HE ARG 66 HE ARG 66 -10.672 -2.885 -12.592 516 HB2 ARG 66 1HB ARG 66 -10.383 -7.067 -10.899 517 HB3 ARG 66 2HB ARG 66 -9.582 -6.143 -9.640 518 HG2 ARG 66 1HG ARG 66 -9.020 -4.332 -11.328 519 HG3 ARG 66 2HG ARG 66 -9.769 -5.295 -12.617 520 HD2 ARG 66 1HD ARG 66 -11.990 -5.199 -11.392 521 HD3 ARG 66 2HD ARG 66 -11.221 -4.267 -10.076 522 HH11 ARG 66 2HH2 ARG 66 -13.384 -3.523 -10.515 523 HH12 ARG 66 1HH2 ARG 66 -14.248 -2.003 -11.051 524 HH21 ARG 66 2HH1 ARG 66 -11.677 -1.174 -13.184 525 HH22 ARG 66 1HH1 ARG 66 -13.304 -0.750 -12.494 526 H THR 67 H THR 67 -7.574 -5.498 -9.198 527 HA THR 67 HA THR 67 -4.782 -4.822 -10.122 528 HB THR 67 HB THR 67 -5.247 -2.410 -10.058 529 HG1 THR 67 HG1 THR 67 -7.155 -1.537 -9.855 530 HG21 THR 67 3HG2 THR 67 -6.285 -2.016 -12.231 531 HG22 THR 67 1HG2 THR 67 -5.291 -3.483 -12.338 532 HG23 THR 67 2HG2 THR 67 -7.046 -3.617 -12.232 533 H GLU 68 H GLU 68 -3.662 -3.488 -8.628 534 HA GLU 68 HA GLU 68 -4.537 -3.773 -5.728 535 HB2 GLU 68 1HB GLU 68 -2.250 -4.454 -6.535 536 HB3 GLU 68 2HB GLU 68 -1.849 -2.770 -6.836 537 HG2 GLU 68 1HG GLU 68 -2.807 -3.775 -4.055 538 HG3 GLU 68 2HG GLU 68 -1.176 -4.009 -4.589 539 H ILE 69 H ILE 69 -5.875 -2.279 -5.125 540 HA ILE 69 HA ILE 69 -6.203 0.294 -6.583 541 HB ILE 69 HB ILE 69 -7.945 -0.733 -4.246 542 HG12 ILE 69 1HG1 ILE 69 -9.489 -1.318 -6.492 543 HG13 ILE 69 2HG1 ILE 69 -7.908 -1.679 -7.156 544 HG21 ILE 69 1HG2 ILE 69 -8.328 1.668 -4.890 545 HG22 ILE 69 2HG2 ILE 69 -8.598 1.194 -6.586 546 HG23 ILE 69 3HG2 ILE 69 -9.712 0.654 -5.301 547 HD11 ILE 69 3HD1 ILE 69 -9.138 -2.898 -4.576 548 HD12 ILE 69 1HD1 ILE 69 -8.977 -3.697 -6.157 549 HD13 ILE 69 2HD1 ILE 69 -7.535 -3.329 -5.206 550 H LYS 70 H LYS 70 -5.618 2.257 -5.874 551 HA LYS 70 HA LYS 70 -4.518 2.600 -3.027 552 HB2 LYS 70 1HB LYS 70 -3.415 3.584 -5.707 553 HB3 LYS 70 2HB LYS 70 -2.850 4.181 -4.151 554 HG2 LYS 70 1HG LYS 70 -2.010 1.940 -3.486 555 HG3 LYS 70 2HG LYS 70 -2.704 1.192 -4.919 556 HD2 LYS 70 1HD LYS 70 -1.300 2.669 -6.420 557 HD3 LYS 70 2HD LYS 70 -0.638 3.496 -5.023 558 HE2 LYS 70 1HE LYS 70 1.030 1.984 -5.759 559 HE3 LYS 70 2HE LYS 70 0.447 1.339 -4.227 560 HZ1 LYS 70 3HZ LYS 70 -0.290 -0.563 -5.224 561 HZ2 LYS 70 1HZ LYS 70 -1.058 0.229 -6.449 562 HZ3 LYS 70 2HZ LYS 70 0.573 -0.132 -6.584 563 H ASN 71 H ASN 71 -6.773 3.331 -2.726 564 HA ASN 71 HA ASN 71 -7.162 6.321 -3.133 565 HB2 ASN 71 1HB ASN 71 -8.413 4.450 -1.012 566 HB3 ASN 71 2HB ASN 71 -8.788 6.139 -1.191 567 HD21 ASN 71 1HD2 ASN 71 -10.074 3.300 -1.805 568 HD22 ASN 71 2HD2 ASN 71 -11.075 3.795 -3.262 569 H PHE 72 H PHE 72 -5.017 6.920 -2.577 570 HA PHE 72 HA PHE 72 -4.299 6.885 0.431 571 HD1 PHE 72 HD2 PHE 72 -2.421 5.457 1.580 572 HD2 PHE 72 HD1 PHE 72 -0.369 7.851 -1.348 573 HE1 PHE 72 HE2 PHE 72 -0.454 5.552 3.036 574 HE2 PHE 72 HE1 PHE 72 1.603 7.945 0.130 575 HZ PHE 72 HZ PHE 72 1.566 6.803 2.326 576 HB2 PHE 72 1HB PHE 72 -2.921 5.386 -1.071 577 HB3 PHE 72 2HB PHE 72 -2.410 6.770 -2.007 578 H THR 73 H THR 73 -4.979 8.838 1.075 579 HA THR 73 HA THR 73 -4.448 11.328 -0.571 580 HB THR 73 HB THR 73 -6.004 10.952 2.018 581 HG1 THR 73 HG1 THR 73 -7.096 12.003 -0.333 582 HG21 THR 73 3HG2 THR 73 -6.764 13.332 1.561 583 HG22 THR 73 1HG2 THR 73 -5.025 13.273 1.949 584 HG23 THR 73 2HG2 THR 73 -5.538 13.458 0.272 585 H VAL 74 H VAL 74 -2.359 11.744 -0.540 586 HA VAL 74 HA VAL 74 -0.946 12.046 2.162 587 HB VAL 74 HB VAL 74 -0.075 10.105 1.208 588 HG11 VAL 74 1HG1 VAL 74 1.310 10.052 -0.886 589 HG12 VAL 74 2HG1 VAL 74 -0.403 10.371 -1.244 590 HG13 VAL 74 3HG1 VAL 74 0.772 11.701 -1.283 591 HG21 VAL 74 3HG2 VAL 74 1.567 11.749 2.399 592 HG22 VAL 74 1HG2 VAL 74 2.337 10.570 1.321 593 HG23 VAL 74 2HG2 VAL 74 2.095 12.258 0.797 594 H PHE 75 H PHE 75 -0.051 13.836 2.614 595 HA PHE 75 HA PHE 75 -0.451 16.192 0.719 596 HD1 PHE 75 HD1 PHE 75 -2.539 14.652 3.602 597 HD2 PHE 75 HD2 PHE 75 -2.001 18.535 1.833 598 HE1 PHE 75 HE1 PHE 75 -4.967 14.950 3.523 599 HE2 PHE 75 HE2 PHE 75 -4.454 18.779 1.658 600 HZ PHE 75 HZ PHE 75 -5.943 16.996 2.521 601 HB2 PHE 75 1HB PHE 75 -0.241 15.952 3.770 602 HB3 PHE 75 2HB PHE 75 -0.114 17.491 2.992 603 H PHE 76 H PHE 76 1.100 17.412 0.009 604 HA PHE 76 HA PHE 76 4.004 16.963 0.872 605 HD1 PHE 76 HD1 PHE 76 5.092 14.889 -0.059 606 HD2 PHE 76 HD2 PHE 76 2.053 15.556 -3.022 607 HE1 PHE 76 HE1 PHE 76 4.863 12.450 -0.397 608 HE2 PHE 76 HE2 PHE 76 1.913 13.139 -3.427 609 HZ PHE 76 HZ PHE 76 3.303 11.572 -2.092 610 HB2 PHE 76 1HB PHE 76 3.018 17.451 -2.011 611 HB3 PHE 76 2HB PHE 76 4.679 17.251 -1.518 612 H GLU 77 H GLU 77 5.382 18.763 0.745 613 HA GLU 77 HA GLU 77 4.066 21.501 0.457 614 HB2 GLU 77 1HB GLU 77 5.747 20.889 2.342 615 HB3 GLU 77 2HB GLU 77 7.010 20.938 1.133 616 HG2 GLU 77 1HG GLU 77 7.097 23.107 2.027 617 HG3 GLU 77 2HG GLU 77 6.138 23.413 0.589 618 H ASN 78 H ASN 78 7.066 20.206 -0.814 619 HA ASN 78 HA ASN 78 5.999 20.380 -3.581 620 HB2 ASN 78 1HB ASN 78 7.377 22.511 -3.326 621 HB3 ASN 78 2HB ASN 78 8.828 21.541 -3.138 622 HD21 ASN 78 1HD2 ASN 78 7.658 23.416 -5.364 623 HD22 ASN 78 2HD2 ASN 78 7.752 22.320 -6.846 624 H GLU 79 H GLU 79 9.110 19.557 -2.021 625 HA GLU 79 HA GLU 79 8.742 16.646 -2.866 626 HB2 GLU 79 1HB GLU 79 11.195 18.165 -1.831 627 HB3 GLU 79 2HB GLU 79 11.130 16.424 -1.805 628 HG2 GLU 79 1HG GLU 79 10.781 18.056 -4.396 629 HG3 GLU 79 2HG GLU 79 12.301 17.430 -3.803 630 H GLN 80 H GLN 80 8.898 18.574 0.182 631 HA GLN 80 HA GLN 80 9.403 16.088 1.707 632 HB2 GLN 80 1HB GLN 80 9.427 17.304 3.723 633 HB3 GLN 80 2HB GLN 80 10.457 18.045 2.515 634 HG2 GLN 80 1HG GLN 80 8.793 19.880 2.131 635 HG3 GLN 80 2HG GLN 80 7.641 19.148 3.228 636 HE21 GLN 80 1HE2 GLN 80 8.234 19.113 5.526 637 HE22 GLN 80 2HE2 GLN 80 9.442 20.382 6.106 638 H VAL 81 H VAL 81 8.146 14.843 2.840 639 HA VAL 81 HA VAL 81 5.218 14.982 2.222 640 HB VAL 81 HB VAL 81 6.518 12.646 3.728 641 HG11 VAL 81 1HG1 VAL 81 4.034 12.691 3.648 642 HG12 VAL 81 2HG1 VAL 81 4.065 12.908 1.887 643 HG13 VAL 81 3HG1 VAL 81 4.641 11.383 2.610 644 HG21 VAL 81 3HG2 VAL 81 6.725 11.488 1.446 645 HG22 VAL 81 1HG2 VAL 81 6.623 13.100 0.682 646 HG23 VAL 81 2HG2 VAL 81 7.935 12.724 1.778 647 H VAL 82 H VAL 82 3.735 15.629 3.551 648 HA VAL 82 HA VAL 82 4.410 16.363 6.410 649 HB VAL 82 HB VAL 82 1.929 17.044 4.700 650 HG11 VAL 82 1HG1 VAL 82 2.821 18.314 7.377 651 HG12 VAL 82 2HG1 VAL 82 1.433 18.784 6.362 652 HG13 VAL 82 3HG1 VAL 82 1.427 17.227 7.178 653 HG21 VAL 82 3HG2 VAL 82 4.003 18.149 3.762 654 HG22 VAL 82 1HG2 VAL 82 2.910 19.323 4.493 655 HG23 VAL 82 2HG2 VAL 82 4.386 18.818 5.364 656 H ARG 83 H ARG 83 1.725 14.626 4.836 657 HA ARG 83 HA ARG 83 1.276 12.790 7.186 658 HE ARG 83 HE ARG 83 -3.304 14.050 7.043 659 HB2 ARG 83 1HB ARG 83 -1.041 13.541 7.636 660 HB3 ARG 83 2HB ARG 83 0.155 14.747 8.079 661 HG2 ARG 83 1HG ARG 83 -0.347 16.089 6.042 662 HG3 ARG 83 2HG ARG 83 -1.391 14.835 5.416 663 HD2 ARG 83 1HD ARG 83 -1.982 16.398 8.006 664 HD3 ARG 83 2HD ARG 83 -2.450 16.902 6.379 665 HH11 ARG 83 2HH2 ARG 83 -4.315 17.427 6.589 666 HH12 ARG 83 1HH2 ARG 83 -6.069 16.927 6.669 667 HH21 ARG 83 2HH1 ARG 83 -5.367 13.658 7.397 668 HH22 ARG 83 1HH1 ARG 83 -6.625 14.969 7.142 669 H TRP 84 H TRP 84 -0.618 11.338 6.719 670 HA TRP 84 HA TRP 84 -1.285 10.923 3.970 671 HD1 TRP 84 HD1 TRP 84 -0.102 6.627 5.247 672 HE1 TRP 84 HE1 TRP 84 2.086 5.633 6.320 673 HE3 TRP 84 HE3 TRP 84 2.973 10.607 4.323 674 HZ2 TRP 84 HZ2 TRP 84 4.657 6.651 6.882 675 HZ3 TRP 84 HZ3 TRP 84 5.334 10.489 5.071 676 HH2 TRP 84 HH2 TRP 84 6.148 8.569 6.335 677 HB2 TRP 84 1HB TRP 84 -0.408 8.811 3.434 678 HB3 TRP 84 2HB TRP 84 0.798 10.071 3.535 679 H GLU 85 H GLU 85 -3.055 10.088 3.785 680 HA GLU 85 HA GLU 85 -4.392 8.625 6.113 681 HB2 GLU 85 1HB GLU 85 -6.063 10.150 4.130 682 HB3 GLU 85 2HB GLU 85 -6.306 9.824 5.822 683 HG2 GLU 85 1HG GLU 85 -4.446 11.921 4.551 684 HG3 GLU 85 2HG GLU 85 -6.006 12.193 5.283 685 H GLY 86 H GLY 86 -4.357 6.536 5.550 686 HA2 GLY 86 1HA GLY 86 -4.635 5.654 2.649 687 HA3 GLY 86 2HA GLY 86 -3.939 4.736 3.946 688 H ASP 87 H ASP 87 -6.986 5.861 2.669 689 HA ASP 87 HA ASP 87 -8.408 3.318 3.669 690 HB2 ASP 87 1HB ASP 87 -9.463 5.901 2.352 691 HB3 ASP 87 2HB ASP 87 -10.441 4.451 2.427 692 H TYR 88 H TYR 88 -6.291 3.188 1.852 693 HA TYR 88 HA TYR 88 -7.319 2.173 -0.739 694 HD1 TYR 88 HD2 TYR 88 -4.809 1.842 2.423 695 HD2 TYR 88 HD1 TYR 88 -2.811 2.848 -1.272 696 HE1 TYR 88 HE2 TYR 88 -2.677 2.118 3.614 697 HE2 TYR 88 HE1 TYR 88 -0.702 3.069 -0.043 698 HH TYR 88 HH TYR 88 -0.250 1.724 2.932 699 HB2 TYR 88 1HB TYR 88 -5.028 1.524 -1.217 700 HB3 TYR 88 2HB TYR 88 -5.342 3.219 -0.891 701 H PHE 89 H PHE 89 -8.396 0.424 -0.831 702 HA PHE 89 HA PHE 89 -9.461 -1.632 -0.295 703 HD1 PHE 89 HD2 PHE 89 -5.547 -1.685 -0.902 704 HD2 PHE 89 HD1 PHE 89 -8.419 -4.908 -0.998 705 HE1 PHE 89 HE2 PHE 89 -4.384 -2.662 -2.794 706 HE2 PHE 89 HE1 PHE 89 -7.214 -5.898 -2.895 707 HZ PHE 89 HZ PHE 89 -5.177 -4.801 -3.788 708 HB2 PHE 89 1HB PHE 89 -6.945 -2.518 1.219 709 HB3 PHE 89 2HB PHE 89 -8.362 -3.476 0.926 710 HA PRO 90 HA PRO 90 -10.123 0.547 3.774 711 HB2 PRO 90 1HB PRO 90 -12.645 1.622 3.467 712 HB3 PRO 90 2HB PRO 90 -11.221 2.191 2.581 713 HG2 PRO 90 1HG PRO 90 -13.289 0.118 1.581 714 HG3 PRO 90 2HG PRO 90 -12.833 1.649 0.778 715 HD2 PRO 90 1HD PRO 90 -11.570 -0.706 0.059 716 HD3 PRO 90 2HD PRO 90 -10.632 0.812 0.200 717 H SER 91 H SER 91 -10.148 -2.006 3.996 718 HA SER 91 HA SER 91 -11.438 -2.204 6.589 719 HG SER 91 HG SER 91 -12.451 -4.618 7.303 720 HB2 SER 91 1HB SER 91 -13.416 -3.014 5.053 721 HB3 SER 91 2HB SER 91 -12.514 -4.511 4.854 722 H GLN 92 H GLN 92 -9.355 -2.520 7.230 723 HA GLN 92 HA GLN 92 -7.604 -4.645 5.969 724 HB2 GLN 92 1HB GLN 92 -5.751 -3.734 7.186 725 HB3 GLN 92 2HB GLN 92 -6.607 -2.552 6.237 726 HG2 GLN 92 1HG GLN 92 -7.789 -1.804 8.485 727 HG3 GLN 92 2HG GLN 92 -6.670 -2.841 9.316 728 HE21 GLN 92 1HE2 GLN 92 -4.203 -2.327 8.359 729 HE22 GLN 92 2HE2 GLN 92 -3.912 -0.529 8.526 730 H ASP 93 H ASP 93 -9.181 -6.227 6.698 731 HA ASP 93 HA ASP 93 -8.427 -7.618 9.252 732 HB2 ASP 93 1HB ASP 93 -10.579 -7.503 10.265 733 HB3 ASP 93 2HB ASP 93 -9.902 -5.903 10.063 734 H GLU 94 H GLU 94 -7.894 -9.406 8.067 735 HA GLU 94 HA GLU 94 -9.935 -10.977 6.616 736 HB2 GLU 94 1HB GLU 94 -8.537 -12.884 6.730 737 HB3 GLU 94 2HB GLU 94 -7.756 -11.499 6.044 738 HG2 GLU 94 1HG GLU 94 -7.216 -12.360 8.966 739 HG3 GLU 94 2HG GLU 94 -6.454 -13.111 7.592 740 H GLN 95 H GLN 95 -11.600 -10.593 8.005 741 HA GLN 95 HA GLN 95 -12.032 -12.452 10.379 742 HB2 GLN 95 1HB GLN 95 -14.070 -10.820 8.729 743 HB3 GLN 95 2HB GLN 95 -14.471 -11.817 10.119 744 HG2 GLN 95 1HG GLN 95 -12.894 -10.410 11.571 745 HG3 GLN 95 2HG GLN 95 -12.589 -9.358 10.193 746 HE21 GLN 95 1HE2 GLN 95 -13.987 -7.622 9.987 747 HE22 GLN 95 2HE2 GLN 95 -15.609 -7.566 10.881 748 H LEU 96 H LEU 96 -11.037 -14.000 9.012 749 HA LEU 96 HA LEU 96 -12.871 -15.795 7.368 750 HG LEU 96 HG LEU 96 -11.944 -16.512 5.079 751 HB2 LEU 96 1HB LEU 96 -11.744 -13.961 6.083 752 HB3 LEU 96 2HB LEU 96 -10.161 -14.504 6.573 753 HD11 LEU 96 1HD1 LEU 96 -10.528 -14.137 3.689 754 HD12 LEU 96 2HD1 LEU 96 -11.286 -15.529 2.880 755 HD13 LEU 96 3HD1 LEU 96 -12.285 -14.390 3.796 756 HD21 LEU 96 3HD2 LEU 96 -8.925 -15.816 4.829 757 HD22 LEU 96 1HD2 LEU 96 -9.560 -17.157 5.795 758 HD23 LEU 96 2HD2 LEU 96 -9.769 -17.169 4.043 759 H ALA 97 H ALA 97 -12.140 -17.930 7.028 760 HA ALA 97 HA ALA 97 -10.836 -19.226 9.301 761 HB1 ALA 97 3HB ALA 97 -12.629 -20.282 7.971 762 HB2 ALA 97 1HB ALA 97 -11.580 -20.360 6.530 763 HB3 ALA 97 2HB ALA 97 -11.188 -21.312 7.975 764 H LYS 98 H LYS 98 -8.823 -18.466 9.550 765 HA LYS 98 HA LYS 98 -6.588 -19.437 7.681 766 HB2 LYS 98 1HB LYS 98 -7.241 -17.010 7.371 767 HB3 LYS 98 2HB LYS 98 -6.941 -16.687 9.075 768 HG2 LYS 98 1HG LYS 98 -4.477 -17.240 8.746 769 HG3 LYS 98 2HG LYS 98 -4.788 -17.613 7.042 770 HD2 LYS 98 1HD LYS 98 -5.625 -15.260 6.663 771 HD3 LYS 98 2HD LYS 98 -5.374 -14.883 8.378 772 HE2 LYS 98 1HE LYS 98 -2.924 -15.183 8.192 773 HE3 LYS 98 2HE LYS 98 -3.058 -15.797 6.540 774 HZ1 LYS 98 3HZ LYS 98 -2.507 -13.331 6.587 775 HZ2 LYS 98 1HZ LYS 98 -3.927 -13.590 5.807 776 HZ3 LYS 98 2HZ LYS 98 -3.944 -12.958 7.284 777 H ALA 99 H ALA 99 -4.840 -20.323 8.718 778 HA ALA 99 HA ALA 99 -4.980 -20.948 11.602 779 HB1 ALA 99 3HB ALA 99 -2.747 -21.482 9.539 780 HB2 ALA 99 1HB ALA 99 -2.906 -22.246 11.131 781 HB3 ALA 99 2HB ALA 99 -4.143 -22.536 9.897 782 H ALA 100 H ALA 100 -5.052 -18.526 11.983 783 HA ALA 100 HA ALA 100 -2.474 -17.695 13.378 784 HB1 ALA 100 3HB ALA 100 -2.750 -15.380 12.281 785 HB2 ALA 100 1HB ALA 100 -2.383 -16.664 11.107 786 HB3 ALA 100 2HB ALA 100 -4.056 -16.069 11.270 787 HA PRO 101 HA PRO 101 -6.091 -16.740 16.138 788 HB2 PRO 101 1HB PRO 101 -4.818 -16.255 18.533 789 HB3 PRO 101 2HB PRO 101 -4.856 -17.850 17.752 790 HG2 PRO 101 1HG PRO 101 -2.603 -15.749 17.552 791 HG3 PRO 101 2HG PRO 101 -2.436 -17.453 18.058 792 HD2 PRO 101 1HD PRO 101 -1.963 -16.679 15.440 793 HD3 PRO 101 2HD PRO 101 -2.746 -18.256 15.789 794 H LYS 102 H LYS 102 -6.162 -14.936 14.541 795 HA LYS 102 HA LYS 102 -5.323 -12.224 15.478 796 HB2 LYS 102 1HB LYS 102 -5.095 -13.205 13.130 797 HB3 LYS 102 2HB LYS 102 -6.830 -13.033 12.935 798 HG2 LYS 102 1HG LYS 102 -6.105 -10.399 13.733 799 HG3 LYS 102 2HG LYS 102 -4.601 -10.966 13.064 800 HD2 LYS 102 1HD LYS 102 -5.440 -10.164 11.129 801 HD3 LYS 102 2HD LYS 102 -6.146 -11.736 10.952 802 HE2 LYS 102 1HE LYS 102 -7.514 -9.194 12.096 803 HE3 LYS 102 2HE LYS 102 -7.681 -9.795 10.452 804 HZ1 LYS 102 3HZ LYS 102 -9.576 -10.483 11.991 805 HZ2 LYS 102 1HZ LYS 102 -8.881 -11.753 11.227 806 HZ3 LYS 102 2HZ LYS 102 -8.541 -11.444 12.837 807 H GLN 103 H GLN 103 -6.735 -12.376 17.332 808 HA GLN 103 HA GLN 103 -9.607 -11.485 16.961 809 HB2 GLN 103 1HB GLN 103 -9.826 -11.527 19.354 810 HB3 GLN 103 2HB GLN 103 -9.230 -13.036 18.691 811 HG2 GLN 103 1HG GLN 103 -6.899 -12.529 19.517 812 HG3 GLN 103 2HG GLN 103 -7.408 -10.970 20.126 813 HE21 GLN 103 1HE2 GLN 103 -8.721 -10.941 22.038 814 HE22 GLN 103 2HE2 GLN 103 -8.851 -12.470 23.061 815 H PHE 104 H PHE 104 -8.808 -9.697 15.627 816 HA PHE 104 HA PHE 104 -8.944 -7.101 16.929 817 HD1 PHE 104 HD1 PHE 104 -5.519 -9.500 17.410 818 HD2 PHE 104 HD2 PHE 104 -5.392 -6.379 14.440 819 HE1 PHE 104 HE1 PHE 104 -3.512 -10.519 16.414 820 HE2 PHE 104 HE2 PHE 104 -3.390 -7.417 13.449 821 HZ PHE 104 HZ PHE 104 -2.441 -9.479 14.432 822 HB2 PHE 104 1HB PHE 104 -6.782 -6.108 16.501 823 HB3 PHE 104 2HB PHE 104 -6.748 -7.309 17.748 824 H GLY 105 H GLY 105 -10.502 -6.961 15.374 825 HA2 GLY 105 1HA GLY 105 -10.115 -7.055 12.493 826 HA3 GLY 105 2HA GLY 105 -11.419 -6.194 13.270 827 H ARG 106 H ARG 106 -7.972 -5.561 13.268 828 HA ARG 106 HA ARG 106 -8.003 -3.551 11.162 829 HE ARG 106 HE ARG 106 -6.512 0.858 10.660 830 HB2 ARG 106 1HB ARG 106 -9.145 -2.222 13.060 831 HB3 ARG 106 2HB ARG 106 -7.650 -2.242 13.955 832 HG2 ARG 106 1HG ARG 106 -7.867 -1.134 11.062 833 HG3 ARG 106 2HG ARG 106 -8.386 -0.198 12.450 834 HD2 ARG 106 1HD ARG 106 -6.112 -0.274 13.473 835 HD3 ARG 106 2HD ARG 106 -5.490 -1.229 12.115 836 HH11 ARG 106 2HH2 ARG 106 -4.362 0.877 13.421 837 HH12 ARG 106 1HH2 ARG 106 -3.707 2.506 12.928 838 HH21 ARG 106 2HH1 ARG 106 -5.743 2.726 10.207 839 HH22 ARG 106 1HH1 ARG 106 -4.384 3.430 11.210 840 H ASN 107 H ASN 107 -6.251 -4.719 10.454 841 HA ASN 107 HA ASN 107 -3.859 -5.295 12.149 842 HB2 ASN 107 1HB ASN 107 -4.239 -5.509 9.082 843 HB3 ASN 107 2HB ASN 107 -2.842 -6.074 9.945 844 HD21 ASN 107 1HD2 ASN 107 -6.111 -6.785 9.220 845 HD22 ASN 107 2HD2 ASN 107 -5.733 -8.573 9.405 846 H LEU 108 H LEU 108 -3.557 -3.043 12.798 847 HA LEU 108 HA LEU 108 -1.076 -2.015 11.833 848 HG LEU 108 HG LEU 108 -1.859 1.309 11.610 849 HB2 LEU 108 1HB LEU 108 -2.180 -1.157 9.829 850 HB3 LEU 108 2HB LEU 108 -3.468 -0.405 10.767 851 HD11 LEU 108 1HD1 LEU 108 0.276 0.253 9.662 852 HD12 LEU 108 2HD1 LEU 108 0.395 1.468 10.972 853 HD13 LEU 108 3HD1 LEU 108 0.277 -0.226 11.354 854 HD21 LEU 108 3HD2 LEU 108 -1.623 2.531 9.493 855 HD22 LEU 108 1HD2 LEU 108 -1.731 1.043 8.534 856 HD23 LEU 108 2HD2 LEU 108 -3.150 1.637 9.420 857 H ALA 109 H ALA 109 -0.180 -0.746 13.289 858 HA ALA 109 HA ALA 109 -1.365 -0.121 15.871 859 HB1 ALA 109 3HB ALA 109 1.192 1.004 14.552 860 HB2 ALA 109 1HB ALA 109 0.786 1.095 16.280 861 HB3 ALA 109 2HB ALA 109 1.058 -0.482 15.519 862 H ARG 110 H ARG 110 -0.293 2.507 13.557 863 HA ARG 110 HA ARG 110 -2.473 4.229 14.824 864 HE ARG 110 HE ARG 110 -1.515 8.261 14.785 865 HB2 ARG 110 1HB ARG 110 0.438 4.466 14.755 866 HB3 ARG 110 2HB ARG 110 -0.153 5.688 13.685 867 HG2 ARG 110 1HG ARG 110 -1.874 6.210 15.801 868 HG3 ARG 110 2HG ARG 110 -0.671 5.286 16.670 869 HD2 ARG 110 1HD ARG 110 0.134 7.472 16.952 870 HD3 ARG 110 2HD ARG 110 1.123 6.933 15.575 871 HH11 ARG 110 2HH2 ARG 110 1.809 8.968 15.616 872 HH12 ARG 110 1HH2 ARG 110 1.687 10.616 14.814 873 HH21 ARG 110 2HH1 ARG 110 -1.560 10.018 13.820 874 HH22 ARG 110 1HH1 ARG 110 -0.148 11.178 13.826 875 H ASP 111 H ASP 111 -2.756 6.248 13.708 876 HA ASP 111 HA ASP 111 -3.484 6.223 10.789 877 HB2 ASP 111 1HB ASP 111 -4.261 8.494 11.285 878 HB3 ASP 111 2HB ASP 111 -4.859 7.427 12.530 879 H LYS 112 H LYS 112 -2.592 8.473 9.802 880 HA LYS 112 HA LYS 112 0.070 9.195 10.899 881 HB2 LYS 112 1HB LYS 112 0.325 7.588 8.645 882 HB3 LYS 112 2HB LYS 112 0.244 9.134 7.868 883 HG2 LYS 112 1HG LYS 112 2.545 9.046 8.258 884 HG3 LYS 112 2HG LYS 112 2.082 9.891 9.719 885 HD2 LYS 112 1HD LYS 112 1.842 7.465 10.815 886 HD3 LYS 112 2HD LYS 112 2.595 6.864 9.339 887 HE2 LYS 112 1HE LYS 112 4.632 8.379 9.830 888 HE3 LYS 112 2HE LYS 112 3.850 8.869 11.343 889 HZ1 LYS 112 3HZ LYS 112 5.164 6.927 11.959 890 HZ2 LYS 112 1HZ LYS 112 3.638 6.217 11.730 891 HZ3 LYS 112 2HZ LYS 112 4.727 6.077 10.574 892 H LYS 113 H LYS 113 -1.839 10.599 11.515 893 HA LYS 113 HA LYS 113 -1.585 13.228 10.008 894 HB2 LYS 113 1HB LYS 113 -3.749 12.487 10.963 895 HB3 LYS 113 2HB LYS 113 -3.063 12.352 12.568 896 HG2 LYS 113 1HG LYS 113 -4.407 14.277 12.513 897 HG3 LYS 113 2HG LYS 113 -2.746 14.801 12.742 898 HD2 LYS 113 1HD LYS 113 -2.599 15.453 10.295 899 HD3 LYS 113 2HD LYS 113 -4.244 14.860 10.030 900 HE2 LYS 113 1HE LYS 113 -5.156 16.540 11.678 901 HE3 LYS 113 2HE LYS 113 -3.522 17.093 12.074 902 HZ1 LYS 113 3HZ LYS 113 -3.239 18.017 9.854 903 HZ2 LYS 113 1HZ LYS 113 -4.521 17.191 9.234 904 HZ3 LYS 113 2HZ LYS 113 -4.769 18.451 10.266 905 H LYS 114 H LYS 114 -0.487 15.008 10.820 906 HA LYS 114 HA LYS 114 1.043 14.812 13.396 907 HB2 LYS 114 1HB LYS 114 2.989 15.819 12.587 908 HB3 LYS 114 2HB LYS 114 2.671 14.483 11.516 909 HG2 LYS 114 1HG LYS 114 1.859 15.981 9.720 910 HG3 LYS 114 2HG LYS 114 1.908 17.395 10.751 911 HD2 LYS 114 1HD LYS 114 4.330 15.691 9.888 912 HD3 LYS 114 2HD LYS 114 3.827 17.160 9.111 913 HE2 LYS 114 1HE LYS 114 4.911 16.932 12.005 914 HE3 LYS 114 2HE LYS 114 5.808 17.453 10.592 915 HZ1 LYS 114 3HZ LYS 114 4.993 19.408 11.861 916 HZ2 LYS 114 1HZ LYS 114 4.233 19.416 10.400 917 HZ3 LYS 114 2HZ LYS 114 3.438 18.949 11.758 918 H GLN 115 H GLN 115 1.826 17.169 13.621 919 HA GLN 115 HA GLN 115 -0.573 18.953 13.991 920 HB2 GLN 115 1HB GLN 115 0.664 20.413 15.331 921 HB3 GLN 115 2HB GLN 115 0.762 18.780 15.926 922 HG2 GLN 115 1HG GLN 115 3.030 20.340 14.519 923 HG3 GLN 115 2HG GLN 115 2.820 20.142 16.228 924 HE21 GLN 115 1HE2 GLN 115 3.629 18.261 17.186 925 HE22 GLN 115 2HE2 GLN 115 4.504 16.986 16.190 926 H ARG 116 H ARG 116 -0.972 19.211 11.892 927 HA ARG 116 HA ARG 116 -0.339 21.710 10.679 928 HE ARG 116 HE ARG 116 1.111 21.198 5.465 929 HB2 ARG 116 1HB ARG 116 1.851 20.917 9.994 930 HB3 ARG 116 2HB ARG 116 1.212 19.423 9.304 931 HG2 ARG 116 1HG ARG 116 0.186 20.551 7.458 932 HG3 ARG 116 2HG ARG 116 0.273 22.146 8.193 933 HD2 ARG 116 1HD ARG 116 2.633 22.383 7.879 934 HD3 ARG 116 2HD ARG 116 2.885 20.658 7.525 935 HH11 ARG 116 2HH2 ARG 116 3.985 22.992 6.403 936 HH12 ARG 116 1HH2 ARG 116 4.336 23.376 4.622 937 HH21 ARG 116 2HH1 ARG 116 1.477 21.668 3.671 938 HH22 ARG 116 1HH1 ARG 116 2.931 22.726 3.137 939 H GLY 117 H GLY 117 -2.158 22.090 9.757 940 HA2 GLY 117 1HA GLY 117 -4.343 20.466 8.925 941 HA3 GLY 117 2HA GLY 117 -4.025 22.028 8.228 942 H ARG 118 H ARG 118 -2.412 22.051 6.461 943 HA ARG 118 HA ARG 118 -3.078 19.898 4.424 944 HE ARG 118 HE ARG 118 -4.255 23.174 1.988 945 HB2 ARG 118 1HB ARG 118 -3.351 22.385 3.970 946 HB3 ARG 118 2HB ARG 118 -1.602 22.591 4.086 947 HG2 ARG 118 1HG ARG 118 -1.333 20.923 2.158 948 HG3 ARG 118 2HG ARG 118 -3.080 20.821 2.016 949 HD2 ARG 118 1HD ARG 118 -1.384 23.391 1.649 950 HD3 ARG 118 2HD ARG 118 -1.968 22.342 0.346 951 HH11 ARG 118 2HH2 ARG 118 -2.086 24.503 -0.446 952 HH12 ARG 118 1HH2 ARG 118 -3.241 25.883 -0.760 953 HH21 ARG 118 2HH1 ARG 118 -5.537 24.721 1.508 954 HH22 ARG 118 1HH1 ARG 118 -5.091 25.967 0.261 Start of MODEL 2 1 HA MET 1 HA MET 1 34.480 -19.207 12.166 2 H1 MET 1 1H MET 1 36.178 -17.420 12.375 3 H2 MET 1 2H MET 1 36.197 -18.069 10.858 4 H3 MET 1 3H MET 1 35.530 -16.589 11.114 5 HB2 MET 1 1HB MET 1 33.373 -16.357 12.629 6 HB3 MET 1 2HB MET 1 32.473 -17.833 12.922 7 HG2 MET 1 1HG MET 1 34.197 -18.600 14.613 8 HG3 MET 1 2HG MET 1 35.097 -17.085 14.381 9 HE1 MET 1 3HE MET 1 33.966 -18.072 17.195 10 HE2 MET 1 1HE MET 1 34.871 -16.545 16.964 11 HE3 MET 1 2HE MET 1 33.314 -16.539 17.834 12 H ALA 2 H ALA 2 32.880 -16.473 10.381 13 HA ALA 2 HA ALA 2 31.690 -18.485 8.510 14 HB1 ALA 2 3HB ALA 2 30.349 -16.601 9.404 15 HB2 ALA 2 1HB ALA 2 31.429 -15.409 8.633 16 HB3 ALA 2 2HB ALA 2 30.454 -16.506 7.638 17 H GLY 3 H GLY 3 32.986 -19.248 6.985 18 HA2 GLY 3 1HA GLY 3 35.149 -17.693 5.611 19 HA3 GLY 3 2HA GLY 3 34.712 -19.347 5.260 20 H SER 4 H SER 4 32.597 -19.608 4.034 21 HA SER 4 HA SER 4 32.626 -17.709 1.659 22 HG SER 4 HG SER 4 31.881 -18.979 -0.352 23 HB2 SER 4 1HB SER 4 32.762 -20.191 1.309 24 HB3 SER 4 2HB SER 4 31.151 -20.389 2.012 25 H GLY 5 H GLY 5 31.608 -15.915 2.478 26 HA2 GLY 5 1HA GLY 5 28.946 -15.898 3.784 27 HA3 GLY 5 2HA GLY 5 29.785 -14.497 3.165 28 H ILE 6 H ILE 6 28.072 -17.316 1.941 29 HA ILE 6 HA ILE 6 27.245 -15.941 -0.521 30 HB ILE 6 HB ILE 6 27.913 -18.190 -0.574 31 HG12 ILE 6 1HG1 ILE 6 24.995 -17.991 -1.556 32 HG13 ILE 6 2HG1 ILE 6 26.326 -17.119 -2.301 33 HG21 ILE 6 1HG2 ILE 6 26.597 -20.115 0.185 34 HG22 ILE 6 2HG2 ILE 6 26.863 -19.022 1.557 35 HG23 ILE 6 3HG2 ILE 6 25.271 -19.081 0.773 36 HD11 ILE 6 3HD1 ILE 6 27.512 -19.302 -2.817 37 HD12 ILE 6 1HD1 ILE 6 26.131 -20.196 -2.138 38 HD13 ILE 6 2HD1 ILE 6 25.907 -19.176 -3.570 39 H ILE 7 H ILE 7 26.221 -14.161 0.515 40 HA ILE 7 HA ILE 7 23.492 -14.451 1.601 41 HB ILE 7 HB ILE 7 24.968 -12.745 2.378 42 HG12 ILE 7 1HG1 ILE 7 23.447 -10.766 2.409 43 HG13 ILE 7 2HG1 ILE 7 22.456 -11.460 1.136 44 HG21 ILE 7 1HG2 ILE 7 25.477 -10.637 1.194 45 HG22 ILE 7 2HG2 ILE 7 26.166 -11.998 0.306 46 HG23 ILE 7 3HG2 ILE 7 24.695 -11.214 -0.297 47 HD11 ILE 7 3HD1 ILE 7 21.490 -11.780 3.439 48 HD12 ILE 7 1HD1 ILE 7 21.784 -13.352 2.681 49 HD13 ILE 7 2HD1 ILE 7 22.899 -12.741 3.927 50 H TYR 8 H TYR 8 22.719 -15.782 -0.078 51 HA TYR 8 HA TYR 8 22.095 -14.709 -2.741 52 HD1 TYR 8 HD2 TYR 8 22.865 -16.575 -4.663 53 HD2 TYR 8 HD1 TYR 8 19.089 -17.653 -2.887 54 HE1 TYR 8 HE2 TYR 8 21.938 -17.057 -6.896 55 HE2 TYR 8 HE1 TYR 8 18.192 -18.156 -5.119 56 HH TYR 8 HH TYR 8 18.533 -17.718 -7.408 57 HB2 TYR 8 1HB TYR 8 22.646 -17.110 -2.154 58 HB3 TYR 8 2HB TYR 8 21.063 -17.298 -1.427 59 H LYS 9 H LYS 9 20.757 -13.071 -2.788 60 HA LYS 9 HA LYS 9 17.844 -13.417 -1.918 61 HB2 LYS 9 1HB LYS 9 17.839 -10.870 -1.422 62 HB3 LYS 9 2HB LYS 9 18.298 -12.067 -0.249 63 HG2 LYS 9 1HG LYS 9 19.698 -10.190 0.040 64 HG3 LYS 9 2HG LYS 9 20.672 -11.574 -0.434 65 HD2 LYS 9 1HD LYS 9 20.772 -10.670 -2.817 66 HD3 LYS 9 2HD LYS 9 19.823 -9.267 -2.315 67 HE2 LYS 9 1HE LYS 9 21.672 -8.680 -0.615 68 HE3 LYS 9 2HE LYS 9 22.581 -10.108 -1.140 69 HZ1 LYS 9 3HZ LYS 9 21.791 -7.834 -2.974 70 HZ2 LYS 9 1HZ LYS 9 23.317 -8.075 -2.405 71 HZ3 LYS 9 2HZ LYS 9 22.636 -9.154 -3.444 72 H GLN 10 H GLN 10 16.880 -13.693 -3.751 73 HA GLN 10 HA GLN 10 17.895 -12.665 -6.307 74 HB2 GLN 10 1HB GLN 10 15.211 -14.070 -5.742 75 HB3 GLN 10 2HB GLN 10 15.911 -13.789 -7.334 76 HG2 GLN 10 1HG GLN 10 17.971 -15.154 -6.640 77 HG3 GLN 10 2HG GLN 10 17.185 -15.554 -5.134 78 HE21 GLN 10 1HE2 GLN 10 14.624 -16.300 -5.862 79 HE22 GLN 10 2HE2 GLN 10 14.814 -17.746 -6.987 80 HA PRO 11 HA PRO 11 15.537 -8.790 -6.286 81 HB2 PRO 11 1HB PRO 11 16.008 -7.794 -8.807 82 HB3 PRO 11 2HB PRO 11 17.293 -8.075 -7.612 83 HG2 PRO 11 1HG PRO 11 16.419 -9.997 -9.869 84 HG3 PRO 11 2HG PRO 11 18.066 -9.372 -9.577 85 HD2 PRO 11 1HD PRO 11 17.290 -11.831 -8.565 86 HD3 PRO 11 2HD PRO 11 18.342 -10.749 -7.596 87 H ILE 12 H ILE 12 13.621 -10.213 -5.986 88 HA ILE 12 HA ILE 12 11.451 -9.144 -7.797 89 HB ILE 12 HB ILE 12 11.998 -11.211 -8.854 90 HG12 ILE 12 1HG1 ILE 12 9.218 -11.580 -7.571 91 HG13 ILE 12 2HG1 ILE 12 9.565 -10.215 -8.616 92 HG21 ILE 12 1HG2 ILE 12 11.037 -12.834 -6.403 93 HG22 ILE 12 2HG2 ILE 12 11.675 -13.450 -7.946 94 HG23 ILE 12 3HG2 ILE 12 12.740 -12.574 -6.822 95 HD11 ILE 12 3HD1 ILE 12 9.848 -13.154 -9.515 96 HD12 ILE 12 1HD1 ILE 12 8.567 -12.007 -9.966 97 HD13 ILE 12 2HD1 ILE 12 10.238 -11.718 -10.497 98 H TYR 13 H TYR 13 10.834 -7.849 -6.183 99 HA TYR 13 HA TYR 13 9.586 -9.123 -3.681 100 HD1 TYR 13 HD2 TYR 13 11.155 -9.527 -1.547 101 HD2 TYR 13 HD1 TYR 13 13.355 -7.009 -4.262 102 HE1 TYR 13 HE2 TYR 13 13.153 -10.939 -1.257 103 HE2 TYR 13 HE1 TYR 13 15.344 -8.422 -3.943 104 HH TYR 13 HH TYR 13 15.511 -10.894 -3.527 105 HB2 TYR 13 1HB TYR 13 11.065 -6.417 -3.750 106 HB3 TYR 13 2HB TYR 13 10.281 -7.133 -2.361 107 H GLN 14 H GLN 14 7.731 -9.184 -5.059 108 HA GLN 14 HA GLN 14 6.280 -6.738 -5.644 109 HB2 GLN 14 1HB GLN 14 4.571 -8.056 -6.545 110 HB3 GLN 14 2HB GLN 14 6.132 -8.683 -7.018 111 HG2 GLN 14 1HG GLN 14 4.289 -9.924 -4.879 112 HG3 GLN 14 2HG GLN 14 4.322 -10.357 -6.558 113 HE21 GLN 14 1HE2 GLN 14 4.656 -12.146 -4.492 114 HE22 GLN 14 2HE2 GLN 14 6.378 -12.799 -4.626 115 H GLY 15 H GLY 15 5.544 -9.116 -3.053 116 HA2 GLY 15 1HA GLY 15 3.549 -7.327 -1.748 117 HA3 GLY 15 2HA GLY 15 4.236 -8.771 -1.040 118 H ASN 16 H ASN 16 5.140 -5.590 -1.953 119 HA ASN 16 HA ASN 16 6.644 -4.953 0.595 120 HB2 ASN 16 1HB ASN 16 8.091 -6.290 -1.116 121 HB3 ASN 16 2HB ASN 16 7.939 -4.951 -2.218 122 HD21 ASN 16 1HD2 ASN 16 9.502 -6.076 0.683 123 HD22 ASN 16 2HD2 ASN 16 10.644 -4.633 0.757 124 H LEU 17 H LEU 17 5.896 -3.653 -2.665 125 HA LEU 17 HA LEU 17 6.507 -0.921 -1.967 126 HG LEU 17 HG LEU 17 6.734 -1.405 -5.726 127 HB2 LEU 17 1HB LEU 17 4.698 -1.740 -4.321 128 HB3 LEU 17 2HB LEU 17 5.614 -0.284 -4.122 129 HD11 LEU 17 1HD1 LEU 17 8.417 -0.639 -4.053 130 HD12 LEU 17 2HD1 LEU 17 8.386 -2.218 -3.243 131 HD13 LEU 17 3HD1 LEU 17 8.979 -2.079 -4.910 132 HD21 LEU 17 3HD2 LEU 17 6.771 -4.108 -4.242 133 HD22 LEU 17 1HD2 LEU 17 5.605 -3.647 -5.500 134 HD23 LEU 17 2HD2 LEU 17 7.331 -3.753 -5.875 135 H ILE 18 H ILE 18 3.185 -2.024 -2.811 136 HA ILE 18 HA ILE 18 1.984 0.021 -0.866 137 HB ILE 18 HB ILE 18 0.947 -1.540 -3.267 138 HG12 ILE 18 1HG1 ILE 18 1.997 0.809 -3.346 139 HG13 ILE 18 2HG1 ILE 18 0.507 0.535 -4.169 140 HG21 ILE 18 1HG2 ILE 18 -0.827 -2.055 -1.641 141 HG22 ILE 18 2HG2 ILE 18 -0.973 -0.336 -1.207 142 HG23 ILE 18 3HG2 ILE 18 -1.378 -0.900 -2.848 143 HD11 ILE 18 3HD1 ILE 18 0.576 2.761 -2.963 144 HD12 ILE 18 1HD1 ILE 18 -0.771 1.778 -2.369 145 HD13 ILE 18 2HD1 ILE 18 0.704 1.928 -1.400 146 H LYS 19 H LYS 19 2.371 -0.762 1.025 147 HA LYS 19 HA LYS 19 1.470 -3.567 1.860 148 HB2 LYS 19 1HB LYS 19 3.847 -3.422 1.024 149 HB3 LYS 19 2HB LYS 19 4.220 -2.236 2.255 150 HG2 LYS 19 1HG LYS 19 5.096 -4.260 3.015 151 HG3 LYS 19 2HG LYS 19 3.693 -3.992 4.048 152 HD2 LYS 19 1HD LYS 19 2.323 -5.577 2.646 153 HD3 LYS 19 2HD LYS 19 3.630 -5.800 1.512 154 HE2 LYS 19 1HE LYS 19 3.746 -6.609 4.513 155 HE3 LYS 19 2HE LYS 19 3.228 -7.672 3.204 156 HZ1 LYS 19 3HZ LYS 19 5.984 -6.450 3.404 157 HZ2 LYS 19 1HZ LYS 19 5.625 -8.050 3.576 158 HZ3 LYS 19 2HZ LYS 19 5.477 -7.315 2.105 159 H GLN 20 H GLN 20 -0.063 -3.076 3.335 160 HA GLN 20 HA GLN 20 -0.057 -0.510 4.806 161 HB2 GLN 20 1HB GLN 20 -1.994 -1.882 3.652 162 HB3 GLN 20 2HB GLN 20 -2.095 -2.792 5.137 163 HG2 GLN 20 1HG GLN 20 -2.733 -0.763 6.409 164 HG3 GLN 20 2HG GLN 20 -2.262 0.301 5.085 165 HE21 GLN 20 1HE2 GLN 20 -4.146 1.165 4.270 166 HE22 GLN 20 2HE2 GLN 20 -5.538 0.094 3.726 167 H ASN 21 H ASN 21 1.998 -1.535 5.721 168 HA ASN 21 HA ASN 21 1.756 -1.286 8.632 169 HB2 ASN 21 1HB ASN 21 1.212 -3.687 8.606 170 HB3 ASN 21 2HB ASN 21 2.639 -4.072 7.675 171 HD21 ASN 21 1HD2 ASN 21 2.304 -2.002 10.710 172 HD22 ASN 21 2HD2 ASN 21 3.398 -3.174 11.593 173 H ALA 22 H ALA 22 4.091 -2.530 6.151 174 HA ALA 22 HA ALA 22 6.403 -0.970 7.115 175 HB1 ALA 22 3HB ALA 22 6.625 -2.889 5.531 176 HB2 ALA 22 1HB ALA 22 5.764 -1.978 4.261 177 HB3 ALA 22 2HB ALA 22 7.344 -1.423 4.847 178 H VAL 23 H VAL 23 3.832 -0.075 4.761 179 HA VAL 23 HA VAL 23 4.876 2.666 4.335 180 HB VAL 23 HB VAL 23 2.026 1.608 3.861 181 HG11 VAL 23 1HG1 VAL 23 1.854 3.563 2.243 182 HG12 VAL 23 2HG1 VAL 23 2.008 4.111 3.919 183 HG13 VAL 23 3HG1 VAL 23 3.410 4.190 2.831 184 HG21 VAL 23 3HG2 VAL 23 2.718 1.413 1.466 185 HG22 VAL 23 1HG2 VAL 23 4.386 1.915 1.862 186 HG23 VAL 23 2HG2 VAL 23 3.750 0.377 2.455 187 H GLU 24 H GLU 24 2.521 1.399 6.660 188 HA GLU 24 HA GLU 24 2.019 3.903 8.128 189 HB2 GLU 24 1HB GLU 24 0.516 2.158 8.316 190 HB3 GLU 24 2HB GLU 24 1.692 0.909 8.571 191 HG2 GLU 24 1HG GLU 24 1.325 2.995 10.793 192 HG3 GLU 24 2HG GLU 24 0.130 1.732 10.532 193 H GLN 25 H GLN 25 4.466 1.356 8.684 194 HA GLN 25 HA GLN 25 5.837 2.845 10.821 195 HB2 GLN 25 1HB GLN 25 6.689 0.435 9.106 196 HB3 GLN 25 2HB GLN 25 7.703 1.060 10.390 197 HG2 GLN 25 1HG GLN 25 4.819 0.052 10.880 198 HG3 GLN 25 2HG GLN 25 6.247 -0.946 10.965 199 HE21 GLN 25 1HE2 GLN 25 4.285 1.200 12.741 200 HE22 GLN 25 2HE2 GLN 25 5.427 1.253 14.207 201 H LEU 26 H LEU 26 6.543 2.893 7.331 202 HA LEU 26 HA LEU 26 9.228 3.570 7.438 203 HG LEU 26 HG LEU 26 6.152 4.333 5.343 204 HB2 LEU 26 1HB LEU 26 9.229 4.353 5.190 205 HB3 LEU 26 2HB LEU 26 8.286 2.913 5.457 206 HD11 LEU 26 1HD1 LEU 26 8.026 6.447 4.091 207 HD12 LEU 26 2HD1 LEU 26 6.247 6.454 4.053 208 HD13 LEU 26 3HD1 LEU 26 7.083 6.656 5.583 209 HD21 LEU 26 3HD2 LEU 26 7.950 4.214 2.820 210 HD22 LEU 26 1HD2 LEU 26 6.995 2.856 3.458 211 HD23 LEU 26 2HD2 LEU 26 6.171 4.295 2.847 212 H GLN 27 H GLN 27 6.958 5.954 8.294 213 HA GLN 27 HA GLN 27 7.193 8.269 8.861 214 HB2 GLN 27 1HB GLN 27 7.826 6.725 10.686 215 HB3 GLN 27 2HB GLN 27 9.523 6.885 10.278 216 HG2 GLN 27 1HG GLN 27 8.913 8.188 12.248 217 HG3 GLN 27 2HG GLN 27 9.583 9.224 11.024 218 HE21 GLN 27 1HE2 GLN 27 8.216 10.828 10.117 219 HE22 GLN 27 2HE2 GLN 27 6.572 11.179 10.879 220 H VAL 28 H VAL 28 8.093 8.298 6.374 221 HA VAL 28 HA VAL 28 10.558 10.013 6.227 222 HB VAL 28 HB VAL 28 8.563 9.092 4.058 223 HG11 VAL 28 1HG1 VAL 28 9.589 11.185 3.210 224 HG12 VAL 28 2HG1 VAL 28 11.217 10.658 3.703 225 HG13 VAL 28 3HG1 VAL 28 10.344 9.818 2.389 226 HG21 VAL 28 3HG2 VAL 28 11.498 8.204 4.574 227 HG22 VAL 28 1HG2 VAL 28 10.082 7.266 5.075 228 HG23 VAL 28 2HG2 VAL 28 10.370 7.548 3.355 229 H GLY 29 H GLY 29 10.562 12.113 6.446 230 HA2 GLY 29 1HA GLY 29 8.124 13.873 5.740 231 HA3 GLY 29 2HA GLY 29 9.038 14.188 7.189 232 H GLN 30 H GLN 30 10.068 13.326 3.963 233 HA GLN 30 HA GLN 30 11.740 15.876 3.696 234 HB2 GLN 30 1HB GLN 30 12.837 13.935 4.949 235 HB3 GLN 30 2HB GLN 30 12.806 12.974 3.485 236 HG2 GLN 30 1HG GLN 30 14.241 15.703 3.820 237 HG3 GLN 30 2HG GLN 30 14.988 14.147 4.118 238 HE21 GLN 30 1HE2 GLN 30 15.310 16.388 1.999 239 HE22 GLN 30 2HE2 GLN 30 15.476 15.372 0.477 240 H SER 31 H SER 31 10.658 12.988 1.810 241 HA SER 31 HA SER 31 11.003 14.669 -0.727 242 HG SER 31 HG SER 31 13.553 13.439 0.143 243 HB2 SER 31 1HB SER 31 12.009 11.786 -0.295 244 HB3 SER 31 2HB SER 31 11.775 12.514 -1.895 245 H LYS 32 H LYS 32 9.619 14.349 -2.299 246 HA LYS 32 HA LYS 32 7.168 12.614 -1.877 247 HB2 LYS 32 1HB LYS 32 5.980 13.672 -3.506 248 HB3 LYS 32 2HB LYS 32 6.644 14.915 -2.476 249 HG2 LYS 32 1HG LYS 32 7.948 15.890 -4.177 250 HG3 LYS 32 2HG LYS 32 8.255 14.422 -5.005 251 HD2 LYS 32 1HD LYS 32 6.896 15.249 -6.536 252 HD3 LYS 32 2HD LYS 32 5.656 14.403 -5.657 253 HE2 LYS 32 1HE LYS 32 6.426 17.395 -5.367 254 HE3 LYS 32 2HE LYS 32 5.124 16.793 -6.383 255 HZ1 LYS 32 3HZ LYS 32 4.330 17.627 -4.160 256 HZ2 LYS 32 1HZ LYS 32 3.936 16.014 -4.312 257 HZ3 LYS 32 2HZ LYS 32 5.225 16.513 -3.397 258 H GLN 33 H GLN 33 9.808 13.110 -4.196 259 HA GLN 33 HA GLN 33 8.933 10.931 -5.982 260 HB2 GLN 33 1HB GLN 33 10.962 11.325 -7.244 261 HB3 GLN 33 2HB GLN 33 10.119 12.809 -6.851 262 HG2 GLN 33 1HG GLN 33 11.868 13.167 -4.914 263 HG3 GLN 33 2HG GLN 33 12.731 11.782 -5.550 264 HE21 GLN 33 1HE2 GLN 33 11.751 15.120 -6.216 265 HE22 GLN 33 2HE2 GLN 33 12.995 15.300 -7.575 266 H GLN 34 H GLN 34 10.988 10.819 -3.193 267 HA GLN 34 HA GLN 34 11.904 7.990 -3.692 268 HB2 GLN 34 1HB GLN 34 11.923 9.636 -1.081 269 HB3 GLN 34 2HB GLN 34 12.525 7.993 -1.230 270 HG2 GLN 34 1HG GLN 34 14.219 8.729 -2.959 271 HG3 GLN 34 2HG GLN 34 13.672 10.389 -2.820 272 HE21 GLN 34 1HE2 GLN 34 14.408 11.596 -1.012 273 HE22 GLN 34 2HE2 GLN 34 15.595 10.852 0.181 274 H VAL 35 H VAL 35 9.344 9.442 -1.549 275 HA VAL 35 HA VAL 35 8.308 6.772 -0.820 276 HB VAL 35 HB VAL 35 8.100 8.791 0.626 277 HG11 VAL 35 1HG1 VAL 35 7.229 10.482 -1.056 278 HG12 VAL 35 2HG1 VAL 35 5.688 9.623 -1.124 279 HG13 VAL 35 3HG1 VAL 35 6.233 10.367 0.401 280 HG21 VAL 35 3HG2 VAL 35 6.796 6.710 1.081 281 HG22 VAL 35 1HG2 VAL 35 5.916 8.167 1.587 282 HG23 VAL 35 2HG2 VAL 35 5.447 7.319 0.095 283 H SER 36 H SER 36 7.329 9.066 -3.358 284 HA SER 36 HA SER 36 5.092 7.342 -4.316 285 HG SER 36 HG SER 36 4.787 8.403 -6.983 286 HB2 SER 36 1HB SER 36 5.414 9.922 -4.630 287 HB3 SER 36 2HB SER 36 6.549 9.550 -5.926 288 H ALA 37 H ALA 37 8.532 7.490 -5.284 289 HA ALA 37 HA ALA 37 8.216 5.361 -7.353 290 HB1 ALA 37 3HB ALA 37 10.717 5.250 -7.245 291 HB2 ALA 37 1HB ALA 37 10.183 6.939 -7.332 292 HB3 ALA 37 2HB ALA 37 10.727 6.265 -5.785 293 H LEU 38 H LEU 38 9.147 5.265 -3.880 294 HA LEU 38 HA LEU 38 9.398 2.308 -3.794 295 HG LEU 38 HG LEU 38 11.064 2.029 -1.969 296 HB2 LEU 38 1HB LEU 38 9.235 4.510 -1.664 297 HB3 LEU 38 2HB LEU 38 8.887 2.877 -1.171 298 HD11 LEU 38 1HD1 LEU 38 11.678 3.760 -3.725 299 HD12 LEU 38 2HD1 LEU 38 11.830 4.994 -2.458 300 HD13 LEU 38 3HD1 LEU 38 12.932 3.602 -2.488 301 HD21 LEU 38 3HD2 LEU 38 12.369 3.076 -0.091 302 HD22 LEU 38 1HD2 LEU 38 11.196 4.412 0.005 303 HD23 LEU 38 2HD2 LEU 38 10.701 2.749 0.407 304 H LEU 39 H LEU 39 6.569 4.379 -3.042 305 HA LEU 39 HA LEU 39 4.738 2.060 -2.696 306 HG LEU 39 HG LEU 39 5.013 4.408 -1.026 307 HB2 LEU 39 1HB LEU 39 4.328 5.016 -3.480 308 HB3 LEU 39 2HB LEU 39 2.972 3.930 -3.296 309 HD11 LEU 39 1HD1 LEU 39 3.916 6.575 -1.608 310 HD12 LEU 39 2HD1 LEU 39 2.301 5.811 -1.501 311 HD13 LEU 39 3HD1 LEU 39 3.317 5.954 -0.055 312 HD21 LEU 39 3HD2 LEU 39 2.093 3.452 -0.778 313 HD22 LEU 39 1HD2 LEU 39 3.438 2.298 -0.909 314 HD23 LEU 39 2HD2 LEU 39 3.377 3.425 0.440 315 H GLY 40 H GLY 40 5.713 3.890 -5.546 316 HA2 GLY 40 1HA GLY 40 5.818 2.825 -7.798 317 HA3 GLY 40 2HA GLY 40 4.549 1.704 -7.355 318 H THR 41 H THR 41 4.992 5.228 -7.636 319 HA THR 41 HA THR 41 2.762 5.437 -9.681 320 HB THR 41 HB THR 41 2.573 6.791 -6.916 321 HG1 THR 41 HG1 THR 41 1.845 4.447 -7.715 322 HG21 THR 41 3HG2 THR 41 0.552 6.961 -9.262 323 HG22 THR 41 1HG2 THR 41 0.354 7.626 -7.638 324 HG23 THR 41 2HG2 THR 41 1.576 8.306 -8.720 325 HA PRO 42 HA PRO 42 5.605 9.119 -10.437 326 HB2 PRO 42 1HB PRO 42 4.992 9.610 -13.062 327 HB3 PRO 42 2HB PRO 42 5.931 8.184 -12.560 328 HG2 PRO 42 1HG PRO 42 2.910 8.315 -13.149 329 HG3 PRO 42 2HG PRO 42 4.087 7.167 -13.844 330 HD2 PRO 42 1HD PRO 42 2.496 6.579 -11.612 331 HD3 PRO 42 2HD PRO 42 4.129 5.861 -11.812 332 H SER 43 H SER 43 4.252 10.010 -8.802 333 HA SER 43 HA SER 43 1.572 10.851 -9.237 334 HG SER 43 HG SER 43 4.026 10.580 -6.383 335 HB2 SER 43 1HB SER 43 1.596 11.737 -6.918 336 HB3 SER 43 2HB SER 43 2.141 10.077 -7.122 337 H ILE 44 H ILE 44 3.939 13.296 -8.188 338 HA ILE 44 HA ILE 44 2.624 15.299 -10.129 339 HB ILE 44 HB ILE 44 3.109 15.921 -7.155 340 HG12 ILE 44 1HG1 ILE 44 0.445 15.854 -8.725 341 HG13 ILE 44 2HG1 ILE 44 0.990 14.547 -7.691 342 HG21 ILE 44 1HG2 ILE 44 3.591 17.918 -8.706 343 HG22 ILE 44 2HG2 ILE 44 1.983 17.716 -9.432 344 HG23 ILE 44 3HG2 ILE 44 2.156 18.195 -7.725 345 HD11 ILE 44 3HD1 ILE 44 0.369 17.383 -6.666 346 HD12 ILE 44 1HD1 ILE 44 -0.578 15.908 -6.447 347 HD13 ILE 44 2HD1 ILE 44 1.021 16.054 -5.682 348 HA PRO 45 HA PRO 45 7.274 15.688 -10.363 349 HB2 PRO 45 1HB PRO 45 7.647 15.484 -13.068 350 HB3 PRO 45 2HB PRO 45 7.216 14.092 -12.049 351 HG2 PRO 45 1HG PRO 45 5.300 15.827 -13.731 352 HG3 PRO 45 2HG PRO 45 5.448 14.049 -13.768 353 HD2 PRO 45 1HD PRO 45 3.536 15.370 -12.212 354 HD3 PRO 45 2HD PRO 45 4.250 13.821 -11.677 355 H ASP 46 H ASP 46 6.601 17.780 -9.452 356 HA ASP 46 HA ASP 46 7.218 20.060 -11.391 357 HB2 ASP 46 1HB ASP 46 4.882 20.171 -11.028 358 HB3 ASP 46 2HB ASP 46 4.995 19.991 -9.295 359 HA PRO 47 HA PRO 47 10.045 21.260 -7.863 360 HB2 PRO 47 1HB PRO 47 11.746 22.906 -9.240 361 HB3 PRO 47 2HB PRO 47 11.734 21.151 -9.530 362 HG2 PRO 47 1HG PRO 47 10.270 23.314 -11.180 363 HG3 PRO 47 2HG PRO 47 11.377 22.059 -11.801 364 HD2 PRO 47 1HD PRO 47 8.569 21.769 -11.720 365 HD3 PRO 47 2HD PRO 47 9.675 20.360 -11.622 366 H PHE 48 H PHE 48 7.635 23.143 -9.463 367 HA PHE 48 HA PHE 48 8.476 25.773 -8.285 368 HD1 PHE 48 HD1 PHE 48 8.309 27.916 -10.172 369 HD2 PHE 48 HD2 PHE 48 4.388 26.656 -8.911 370 HE1 PHE 48 HE1 PHE 48 7.606 30.271 -9.982 371 HE2 PHE 48 HE2 PHE 48 3.697 29.015 -8.726 372 HZ PHE 48 HZ PHE 48 5.302 30.828 -9.258 373 HB2 PHE 48 1HB PHE 48 7.466 25.520 -10.564 374 HB3 PHE 48 2HB PHE 48 5.953 24.998 -9.872 375 H HIS 49 H HIS 49 5.389 23.923 -7.823 376 HA HIS 49 HA HIS 49 5.618 24.265 -4.906 377 HD1 HIS 49 HD1 HIS 49 2.277 27.648 -4.355 378 HD2 HIS 49 HD2 HIS 49 4.338 24.239 -2.753 379 HE1 HIS 49 HE1 HIS 49 1.680 27.303 -1.869 380 HB2 HIS 49 1HB HIS 49 4.788 26.576 -5.582 381 HB3 HIS 49 2HB HIS 49 3.302 25.851 -6.189 382 H ALA 50 H ALA 50 5.668 22.096 -5.696 383 HA ALA 50 HA ALA 50 3.308 20.790 -6.763 384 HB1 ALA 50 3HB ALA 50 5.727 20.444 -7.299 385 HB2 ALA 50 1HB ALA 50 5.972 19.612 -5.759 386 HB3 ALA 50 2HB ALA 50 4.864 18.944 -6.987 387 H GLN 51 H GLN 51 1.767 21.018 -5.192 388 HA GLN 51 HA GLN 51 2.060 20.144 -2.420 389 HB2 GLN 51 1HB GLN 51 -0.303 21.191 -4.094 390 HB3 GLN 51 2HB GLN 51 -0.422 20.967 -2.362 391 HG2 GLN 51 1HG GLN 51 1.122 22.628 -1.771 392 HG3 GLN 51 2HG GLN 51 1.942 22.658 -3.304 393 HE21 GLN 51 1HE2 GLN 51 1.104 23.902 -4.978 394 HE22 GLN 51 2HE2 GLN 51 -0.280 25.076 -4.659 395 H ARG 52 H ARG 52 -0.591 19.171 -1.997 396 HA ARG 52 HA ARG 52 0.094 16.512 -1.492 397 HE ARG 52 HE ARG 52 -5.670 19.180 -2.520 398 HB2 ARG 52 1HB ARG 52 -1.968 16.226 -0.464 399 HB3 ARG 52 2HB ARG 52 -1.601 17.919 -0.291 400 HG2 ARG 52 1HG ARG 52 -3.654 16.534 -2.095 401 HG3 ARG 52 2HG ARG 52 -3.974 17.469 -0.662 402 HD2 ARG 52 1HD ARG 52 -3.387 19.606 -1.784 403 HD3 ARG 52 2HD ARG 52 -2.773 18.788 -3.209 404 HH11 ARG 52 2HH2 ARG 52 -3.484 17.252 -4.471 405 HH12 ARG 52 1HH2 ARG 52 -4.902 16.426 -5.288 406 HH21 ARG 52 2HH1 ARG 52 -7.206 18.272 -3.557 407 HH22 ARG 52 1HH1 ARG 52 -6.844 16.906 -4.713 408 H TRP 53 H TRP 53 -0.595 14.521 -2.062 409 HA TRP 53 HA TRP 53 -1.341 14.013 -5.017 410 HD1 TRP 53 HD1 TRP 53 -1.841 11.160 -5.787 411 HE1 TRP 53 HE1 TRP 53 -1.419 8.577 -5.994 412 HE3 TRP 53 HE3 TRP 53 2.518 10.999 -3.064 413 HZ2 TRP 53 HZ2 TRP 53 0.603 6.830 -5.063 414 HZ3 TRP 53 HZ3 TRP 53 3.621 8.809 -2.736 415 HH2 TRP 53 HH2 TRP 53 2.675 6.764 -3.717 416 HB2 TRP 53 1HB TRP 53 0.874 13.227 -4.599 417 HB3 TRP 53 2HB TRP 53 0.463 12.596 -3.004 418 H ASP 54 H ASP 54 -3.568 13.825 -4.901 419 HA ASP 54 HA ASP 54 -4.855 12.130 -2.749 420 HB2 ASP 54 1HB ASP 54 -6.790 13.499 -3.134 421 HB3 ASP 54 2HB ASP 54 -5.389 14.513 -2.883 422 H TYR 55 H TYR 55 -3.792 10.566 -4.853 423 HA TYR 55 HA TYR 55 -5.902 10.396 -6.991 424 HD1 TYR 55 HD1 TYR 55 -4.492 12.372 -7.321 425 HD2 TYR 55 HD2 TYR 55 -1.835 9.389 -8.981 426 HE1 TYR 55 HE1 TYR 55 -3.131 14.124 -8.326 427 HE2 TYR 55 HE2 TYR 55 -0.522 11.171 -10.022 428 HH TYR 55 HH TYR 55 -0.073 13.429 -9.980 429 HB2 TYR 55 1HB TYR 55 -3.239 8.898 -6.866 430 HB3 TYR 55 2HB TYR 55 -4.362 8.875 -8.205 431 H THR 56 H THR 56 -7.474 9.069 -7.001 432 HA THR 56 HA THR 56 -7.456 6.357 -5.571 433 HB THR 56 HB THR 56 -9.754 7.932 -6.870 434 HG1 THR 56 HG1 THR 56 -8.775 8.615 -4.840 435 HG21 THR 56 3HG2 THR 56 -11.266 6.311 -5.782 436 HG22 THR 56 1HG2 THR 56 -10.232 5.442 -6.936 437 HG23 THR 56 2HG2 THR 56 -9.908 5.331 -5.202 438 H SER 57 H SER 57 -6.478 4.854 -6.811 439 HA SER 57 HA SER 57 -7.629 4.282 -9.588 440 HG SER 57 HG SER 57 -6.469 6.329 -9.713 441 HB2 SER 57 1HB SER 57 -4.678 4.743 -8.812 442 HB3 SER 57 2HB SER 57 -5.154 3.932 -10.307 443 H THR 58 H THR 58 -7.643 2.163 -10.198 444 HA THR 58 HA THR 58 -6.825 0.155 -8.064 445 HB THR 58 HB THR 58 -9.120 0.355 -7.851 446 HG1 THR 58 HG1 THR 58 -7.979 -1.719 -7.773 447 HG21 THR 58 3HG2 THR 58 -10.050 1.016 -10.040 448 HG22 THR 58 1HG2 THR 58 -9.516 -0.509 -10.781 449 HG23 THR 58 2HG2 THR 58 -10.733 -0.534 -9.500 450 H GLN 59 H GLN 59 -5.773 -1.467 -8.568 451 HA GLN 59 HA GLN 59 -4.851 -2.026 -11.451 452 HB2 GLN 59 1HB GLN 59 -3.082 -0.979 -10.070 453 HB3 GLN 59 2HB GLN 59 -3.179 -2.279 -8.877 454 HG2 GLN 59 1HG GLN 59 -2.431 -3.959 -10.578 455 HG3 GLN 59 2HG GLN 59 -2.398 -2.721 -11.837 456 HE21 GLN 59 1HE2 GLN 59 -0.329 -4.398 -10.003 457 HE22 GLN 59 2HE2 GLN 59 0.962 -3.098 -9.894 458 H ARG 60 H ARG 60 -5.906 -3.791 -12.016 459 HA ARG 60 HA ARG 60 -5.972 -6.275 -10.269 460 HE ARG 60 HE ARG 60 -10.324 -3.701 -13.381 461 HB2 ARG 60 1HB ARG 60 -8.294 -6.494 -10.390 462 HB3 ARG 60 2HB ARG 60 -7.914 -4.931 -9.692 463 HG2 ARG 60 1HG ARG 60 -8.864 -5.368 -12.583 464 HG3 ARG 60 2HG ARG 60 -9.936 -5.112 -11.227 465 HD2 ARG 60 1HD ARG 60 -9.210 -2.822 -10.869 466 HD3 ARG 60 2HD ARG 60 -7.821 -2.993 -11.950 467 HH11 ARG 60 2HH2 ARG 60 -8.239 -0.969 -12.589 468 HH12 ARG 60 1HH2 ARG 60 -8.754 -0.139 -14.131 469 HH21 ARG 60 2HH1 ARG 60 -10.792 -2.750 -15.047 470 HH22 ARG 60 1HH1 ARG 60 -10.131 -1.103 -15.456 471 H VAL 61 H VAL 61 -4.283 -6.364 -12.108 472 HA VAL 61 HA VAL 61 -5.289 -7.061 -14.762 473 HB VAL 61 HB VAL 61 -3.231 -5.776 -14.267 474 HG11 VAL 61 1HG1 VAL 61 -1.828 -8.481 -13.724 475 HG12 VAL 61 2HG1 VAL 61 -1.054 -6.888 -13.890 476 HG13 VAL 61 3HG1 VAL 61 -2.122 -7.212 -12.515 477 HG21 VAL 61 3HG2 VAL 61 -1.953 -6.555 -16.210 478 HG22 VAL 61 1HG2 VAL 61 -2.779 -8.130 -16.200 479 HG23 VAL 61 2HG2 VAL 61 -3.694 -6.643 -16.539 480 H ASP 62 H ASP 62 -4.500 -9.227 -12.155 481 HA ASP 62 HA ASP 62 -3.629 -11.454 -13.825 482 HB2 ASP 62 1HB ASP 62 -3.290 -10.767 -11.200 483 HB3 ASP 62 2HB ASP 62 -4.649 -11.824 -10.941 484 H ARG 63 H ARG 63 -4.516 -13.601 -13.531 485 HA ARG 63 HA ARG 63 -7.402 -13.802 -14.488 486 HE ARG 63 HE ARG 63 -3.288 -18.231 -13.388 487 HB2 ARG 63 1HB ARG 63 -7.034 -15.910 -15.301 488 HB3 ARG 63 2HB ARG 63 -5.619 -14.996 -15.718 489 HG2 ARG 63 1HG ARG 63 -5.887 -17.243 -13.629 490 HG3 ARG 63 2HG ARG 63 -5.014 -17.275 -15.158 491 HD2 ARG 63 1HD ARG 63 -3.392 -15.510 -14.228 492 HD3 ARG 63 2HD ARG 63 -4.335 -15.537 -12.723 493 HH11 ARG 63 2HH2 ARG 63 -2.358 -15.103 -11.954 494 HH12 ARG 63 1HH2 ARG 63 -1.340 -15.992 -10.704 495 HH21 ARG 63 2HH1 ARG 63 -1.873 -19.078 -12.066 496 HH22 ARG 63 1HH1 ARG 63 -0.960 -17.999 -10.905 497 H LEU 64 H LEU 64 -7.079 -13.017 -11.817 498 HA LEU 64 HA LEU 64 -9.029 -14.784 -10.500 499 HG LEU 64 HG LEU 64 -5.993 -13.335 -8.913 500 HB2 LEU 64 1HB LEU 64 -7.855 -15.467 -8.549 501 HB3 LEU 64 2HB LEU 64 -6.948 -16.037 -9.906 502 HD11 LEU 64 1HD1 LEU 64 -4.903 -14.215 -6.867 503 HD12 LEU 64 2HD1 LEU 64 -6.666 -14.263 -6.737 504 HD13 LEU 64 3HD1 LEU 64 -5.748 -15.762 -7.028 505 HD21 LEU 64 3HD2 LEU 64 -3.786 -14.286 -9.183 506 HD22 LEU 64 1HD2 LEU 64 -4.398 -15.935 -9.346 507 HD23 LEU 64 2HD2 LEU 64 -4.739 -14.726 -10.601 508 H ALA 65 H ALA 65 -9.444 -13.896 -8.144 509 HA ALA 65 HA ALA 65 -9.702 -10.927 -8.094 510 HB1 ALA 65 3HB ALA 65 -11.296 -12.477 -6.932 511 HB2 ALA 65 1HB ALA 65 -10.008 -12.973 -5.804 512 HB3 ALA 65 2HB ALA 65 -10.585 -11.298 -5.813 513 H ARG 66 H ARG 66 -7.493 -10.488 -8.621 514 HA ARG 66 HA ARG 66 -5.754 -10.035 -6.104 515 HE ARG 66 HE ARG 66 -1.853 -8.386 -8.896 516 HB2 ARG 66 1HB ARG 66 -4.755 -11.523 -7.970 517 HB3 ARG 66 2HB ARG 66 -4.800 -10.125 -9.044 518 HG2 ARG 66 1HG ARG 66 -3.305 -8.886 -7.260 519 HG3 ARG 66 2HG ARG 66 -3.216 -10.396 -6.402 520 HD2 ARG 66 1HD ARG 66 -1.319 -10.716 -7.642 521 HD3 ARG 66 2HD ARG 66 -2.433 -11.399 -8.825 522 HH11 ARG 66 2HH2 ARG 66 -1.104 -11.478 -10.504 523 HH12 ARG 66 1HH2 ARG 66 0.203 -10.625 -11.466 524 HH21 ARG 66 2HH1 ARG 66 -0.526 -7.531 -10.193 525 HH22 ARG 66 1HH1 ARG 66 0.474 -8.569 -11.333 526 H THR 67 H THR 67 -7.620 -8.491 -6.090 527 HA THR 67 HA THR 67 -7.379 -6.057 -7.822 528 HB THR 67 HB THR 67 -9.519 -5.359 -6.833 529 HG1 THR 67 HG1 THR 67 -9.023 -6.349 -4.776 530 HG21 THR 67 3HG2 THR 67 -11.011 -7.233 -7.530 531 HG22 THR 67 1HG2 THR 67 -9.765 -6.913 -8.748 532 HG23 THR 67 2HG2 THR 67 -9.618 -8.323 -7.679 533 H GLU 68 H GLU 68 -5.658 -4.775 -7.140 534 HA GLU 68 HA GLU 68 -5.528 -3.668 -4.345 535 HB2 GLU 68 1HB GLU 68 -4.157 -2.866 -6.999 536 HB3 GLU 68 2HB GLU 68 -3.936 -2.059 -5.468 537 HG2 GLU 68 1HG GLU 68 -2.972 -4.282 -4.509 538 HG3 GLU 68 2HG GLU 68 -2.984 -4.895 -6.166 539 H ILE 69 H ILE 69 -6.845 -2.077 -3.782 540 HA ILE 69 HA ILE 69 -7.859 -0.014 -5.832 541 HB ILE 69 HB ILE 69 -9.245 -0.641 -3.144 542 HG12 ILE 69 1HG1 ILE 69 -11.247 -1.046 -4.869 543 HG13 ILE 69 2HG1 ILE 69 -10.003 -1.325 -6.070 544 HG21 ILE 69 1HG2 ILE 69 -10.949 1.030 -3.987 545 HG22 ILE 69 2HG2 ILE 69 -9.375 1.782 -3.731 546 HG23 ILE 69 3HG2 ILE 69 -9.892 1.380 -5.387 547 HD11 ILE 69 3HD1 ILE 69 -9.163 -3.298 -4.634 548 HD12 ILE 69 1HD1 ILE 69 -10.415 -2.914 -3.436 549 HD13 ILE 69 2HD1 ILE 69 -10.870 -3.439 -5.067 550 H LYS 70 H LYS 70 -6.360 1.546 -5.778 551 HA LYS 70 HA LYS 70 -4.792 2.081 -3.204 552 HB2 LYS 70 1HB LYS 70 -3.953 2.350 -6.143 553 HB3 LYS 70 2HB LYS 70 -3.038 3.011 -4.797 554 HG2 LYS 70 1HG LYS 70 -2.791 0.803 -3.727 555 HG3 LYS 70 2HG LYS 70 -3.809 0.028 -4.913 556 HD2 LYS 70 1HD LYS 70 -1.085 1.352 -5.507 557 HD3 LYS 70 2HD LYS 70 -1.370 -0.349 -5.136 558 HE2 LYS 70 1HE LYS 70 -3.005 -0.326 -7.254 559 HE3 LYS 70 2HE LYS 70 -2.206 1.197 -7.673 560 HZ1 LYS 70 3HZ LYS 70 0.000 -0.236 -7.252 561 HZ2 LYS 70 1HZ LYS 70 -0.995 -1.567 -7.301 562 HZ3 LYS 70 2HZ LYS 70 -0.816 -0.631 -8.646 563 H ASN 71 H ASN 71 -6.590 3.334 -2.609 564 HA ASN 71 HA ASN 71 -6.496 6.197 -3.626 565 HB2 ASN 71 1HB ASN 71 -8.439 6.631 -2.225 566 HB3 ASN 71 2HB ASN 71 -8.666 5.374 -3.403 567 HD21 ASN 71 1HD2 ASN 71 -8.683 6.019 -0.022 568 HD22 ASN 71 2HD2 ASN 71 -9.178 4.318 0.430 569 H PHE 72 H PHE 72 -4.459 6.718 -2.999 570 HA PHE 72 HA PHE 72 -3.824 6.858 0.013 571 HD1 PHE 72 HD2 PHE 72 -1.897 5.222 1.004 572 HD2 PHE 72 HD1 PHE 72 -0.020 8.195 -1.479 573 HE1 PHE 72 HE2 PHE 72 -0.058 5.409 2.622 574 HE2 PHE 72 HE1 PHE 72 1.826 8.362 0.154 575 HZ PHE 72 HZ PHE 72 1.814 6.975 2.197 576 HB2 PHE 72 1HB PHE 72 -2.380 5.432 -1.548 577 HB3 PHE 72 2HB PHE 72 -1.885 6.883 -2.392 578 H THR 73 H THR 73 -4.371 8.818 0.774 579 HA THR 73 HA THR 73 -3.938 11.295 -0.962 580 HB THR 73 HB THR 73 -5.700 10.981 1.529 581 HG1 THR 73 HG1 THR 73 -6.427 11.272 -1.189 582 HG21 THR 73 3HG2 THR 73 -6.736 13.125 0.723 583 HG22 THR 73 1HG2 THR 73 -5.037 13.393 1.147 584 HG23 THR 73 2HG2 THR 73 -5.511 13.269 -0.562 585 H VAL 74 H VAL 74 -1.918 11.936 -0.657 586 HA VAL 74 HA VAL 74 -0.846 12.258 2.190 587 HB VAL 74 HB VAL 74 0.144 10.338 1.217 588 HG11 VAL 74 1HG1 VAL 74 1.781 10.456 -0.709 589 HG12 VAL 74 2HG1 VAL 74 0.113 10.765 -1.229 590 HG13 VAL 74 3HG1 VAL 74 1.247 12.115 -1.037 591 HG21 VAL 74 3HG2 VAL 74 1.596 11.841 2.733 592 HG22 VAL 74 1HG2 VAL 74 2.527 10.809 1.634 593 HG23 VAL 74 2HG2 VAL 74 2.316 12.536 1.267 594 H PHE 75 H PHE 75 0.005 14.005 2.809 595 HA PHE 75 HA PHE 75 -0.373 16.438 1.065 596 HD1 PHE 75 HD1 PHE 75 -2.138 14.507 4.097 597 HD2 PHE 75 HD2 PHE 75 -2.371 18.361 2.185 598 HE1 PHE 75 HE1 PHE 75 -4.577 14.272 3.917 599 HE2 PHE 75 HE2 PHE 75 -4.819 18.118 2.021 600 HZ PHE 75 HZ PHE 75 -5.927 16.072 2.877 601 HB2 PHE 75 1HB PHE 75 -0.137 16.076 4.113 602 HB3 PHE 75 2HB PHE 75 -0.255 17.640 3.337 603 H PHE 76 H PHE 76 1.187 17.642 0.314 604 HA PHE 76 HA PHE 76 4.045 17.419 1.397 605 HD1 PHE 76 HD1 PHE 76 5.556 15.384 0.475 606 HD2 PHE 76 HD2 PHE 76 2.345 15.637 -2.384 607 HE1 PHE 76 HE1 PHE 76 5.627 12.921 0.125 608 HE2 PHE 76 HE2 PHE 76 2.566 13.248 -2.835 609 HZ PHE 76 HZ PHE 76 4.171 11.867 -1.533 610 HB2 PHE 76 1HB PHE 76 3.274 17.673 -1.577 611 HB3 PHE 76 2HB PHE 76 4.892 17.619 -0.926 612 H GLU 77 H GLU 77 5.296 19.271 1.271 613 HA GLU 77 HA GLU 77 3.964 21.946 0.722 614 HB2 GLU 77 1HB GLU 77 5.488 21.639 2.638 615 HB3 GLU 77 2HB GLU 77 6.793 21.103 1.592 616 HG2 GLU 77 1HG GLU 77 6.733 23.485 0.484 617 HG3 GLU 77 2HG GLU 77 5.601 23.951 1.753 618 H ASN 78 H ASN 78 7.026 20.746 -0.422 619 HA ASN 78 HA ASN 78 5.991 20.587 -3.260 620 HB2 ASN 78 1HB ASN 78 7.472 22.658 -3.115 621 HB3 ASN 78 2HB ASN 78 8.857 21.654 -2.770 622 HD21 ASN 78 1HD2 ASN 78 9.225 19.866 -4.565 623 HD22 ASN 78 2HD2 ASN 78 8.720 20.384 -6.260 624 H GLU 79 H GLU 79 9.115 19.790 -1.707 625 HA GLU 79 HA GLU 79 8.667 16.839 -2.312 626 HB2 GLU 79 1HB GLU 79 11.142 18.449 -1.478 627 HB3 GLU 79 2HB GLU 79 11.107 16.730 -1.263 628 HG2 GLU 79 1HG GLU 79 10.718 18.118 -3.987 629 HG3 GLU 79 2HG GLU 79 12.210 17.438 -3.378 630 H GLN 80 H GLN 80 8.787 18.979 0.600 631 HA GLN 80 HA GLN 80 9.389 16.593 2.273 632 HB2 GLN 80 1HB GLN 80 9.499 17.891 4.211 633 HB3 GLN 80 2HB GLN 80 10.483 18.578 2.934 634 HG2 GLN 80 1HG GLN 80 8.787 20.406 2.553 635 HG3 GLN 80 2HG GLN 80 7.723 19.715 3.770 636 HE21 GLN 80 1HE2 GLN 80 9.391 22.303 3.541 637 HE22 GLN 80 2HE2 GLN 80 10.119 22.344 5.232 638 H VAL 81 H VAL 81 8.163 15.420 3.506 639 HA VAL 81 HA VAL 81 5.272 15.441 2.755 640 HB VAL 81 HB VAL 81 6.436 13.232 4.516 641 HG11 VAL 81 1HG1 VAL 81 4.005 13.207 4.077 642 HG12 VAL 81 2HG1 VAL 81 4.282 13.281 2.324 643 HG13 VAL 81 3HG1 VAL 81 4.784 11.844 3.251 644 HG21 VAL 81 3HG2 VAL 81 6.986 11.945 2.339 645 HG22 VAL 81 1HG2 VAL 81 7.079 13.538 1.530 646 HG23 VAL 81 2HG2 VAL 81 8.145 13.160 2.863 647 H VAL 82 H VAL 82 3.657 16.040 3.974 648 HA VAL 82 HA VAL 82 4.083 16.852 6.867 649 HB VAL 82 HB VAL 82 1.660 17.319 5.018 650 HG11 VAL 82 1HG1 VAL 82 2.278 18.540 7.801 651 HG12 VAL 82 2HG1 VAL 82 0.931 18.998 6.730 652 HG13 VAL 82 3HG1 VAL 82 0.975 17.383 7.447 653 HG21 VAL 82 3HG2 VAL 82 3.645 18.650 4.218 654 HG22 VAL 82 1HG2 VAL 82 2.433 19.709 4.949 655 HG23 VAL 82 2HG2 VAL 82 3.906 19.285 5.857 656 H ARG 83 H ARG 83 1.513 14.948 5.181 657 HA ARG 83 HA ARG 83 1.980 12.658 6.892 658 HE ARG 83 HE ARG 83 -1.780 11.519 8.502 659 HB2 ARG 83 1HB ARG 83 0.122 12.417 8.265 660 HB3 ARG 83 2HB ARG 83 0.749 13.993 8.623 661 HG2 ARG 83 1HG ARG 83 -1.079 15.163 7.610 662 HG3 ARG 83 2HG ARG 83 -1.604 13.816 6.631 663 HD2 ARG 83 1HD ARG 83 -1.847 13.891 9.709 664 HD3 ARG 83 2HD ARG 83 -3.118 14.302 8.561 665 HH11 ARG 83 2HH2 ARG 83 -4.781 13.317 8.615 666 HH12 ARG 83 1HH2 ARG 83 -5.725 11.775 8.224 667 HH21 ARG 83 2HH1 ARG 83 -2.901 9.874 8.099 668 HH22 ARG 83 1HH1 ARG 83 -4.735 9.939 8.166 669 H TRP 84 H TRP 84 0.737 10.782 6.396 670 HA TRP 84 HA TRP 84 -0.883 10.943 3.817 671 HD1 TRP 84 HD1 TRP 84 -0.015 6.404 5.139 672 HE1 TRP 84 HE1 TRP 84 2.110 5.481 6.423 673 HE3 TRP 84 HE3 TRP 84 2.974 10.544 4.566 674 HZ2 TRP 84 HZ2 TRP 84 4.578 6.589 7.195 675 HZ3 TRP 84 HZ3 TRP 84 5.238 10.519 5.564 676 HH2 TRP 84 HH2 TRP 84 6.017 8.599 6.872 677 HB2 TRP 84 1HB TRP 84 -0.427 8.562 3.442 678 HB3 TRP 84 2HB TRP 84 0.925 9.645 3.279 679 H GLU 85 H GLU 85 -2.879 10.475 3.759 680 HA GLU 85 HA GLU 85 -4.220 8.771 5.932 681 HB2 GLU 85 1HB GLU 85 -5.137 11.174 5.166 682 HB3 GLU 85 2HB GLU 85 -5.678 10.338 3.732 683 HG2 GLU 85 1HG GLU 85 -7.574 10.264 5.145 684 HG3 GLU 85 2HG GLU 85 -6.925 8.656 5.399 685 H GLY 86 H GLY 86 -3.621 6.783 5.286 686 HA2 GLY 86 1HA GLY 86 -3.687 5.975 2.321 687 HA3 GLY 86 2HA GLY 86 -2.732 5.198 3.561 688 H ASP 87 H ASP 87 -6.060 5.811 2.668 689 HA ASP 87 HA ASP 87 -7.026 3.291 4.100 690 HB2 ASP 87 1HB ASP 87 -8.571 5.573 2.701 691 HB3 ASP 87 2HB ASP 87 -9.335 4.170 3.423 692 H TYR 88 H TYR 88 -5.403 2.629 2.085 693 HA TYR 88 HA TYR 88 -6.973 1.859 -0.360 694 HD1 TYR 88 HD2 TYR 88 -3.870 -0.748 0.649 695 HD2 TYR 88 HD1 TYR 88 -2.814 3.389 0.081 696 HE1 TYR 88 HE2 TYR 88 -1.669 -1.169 1.617 697 HE2 TYR 88 HE1 TYR 88 -0.605 2.954 1.090 698 HH TYR 88 HH TYR 88 0.271 -0.294 2.227 699 HB2 TYR 88 1HB TYR 88 -4.895 1.017 -1.268 700 HB3 TYR 88 2HB TYR 88 -4.870 2.688 -0.769 701 H PHE 89 H PHE 89 -7.142 -0.260 -1.164 702 HA PHE 89 HA PHE 89 -7.943 -2.276 0.927 703 HD1 PHE 89 HD2 PHE 89 -7.495 -4.933 -2.147 704 HD2 PHE 89 HD1 PHE 89 -10.713 -3.395 0.266 705 HE1 PHE 89 HE2 PHE 89 -8.408 -7.207 -1.909 706 HE2 PHE 89 HE1 PHE 89 -11.612 -5.676 0.506 707 HZ PHE 89 HZ PHE 89 -10.467 -7.587 -0.580 708 HB2 PHE 89 1HB PHE 89 -9.311 -1.848 -1.110 709 HB3 PHE 89 2HB PHE 89 -8.033 -2.464 -2.138 710 HA PRO 90 HA PRO 90 -3.655 -3.943 0.508 711 HB2 PRO 90 1HB PRO 90 -3.490 -5.467 2.781 712 HB3 PRO 90 2HB PRO 90 -3.672 -3.701 2.822 713 HG2 PRO 90 1HG PRO 90 -5.944 -5.786 3.053 714 HG3 PRO 90 2HG PRO 90 -5.559 -4.478 4.213 715 HD2 PRO 90 1HD PRO 90 -7.464 -4.095 2.228 716 HD3 PRO 90 2HD PRO 90 -6.365 -2.769 2.724 717 H SER 91 H SER 91 -4.781 -4.932 -1.432 718 HA SER 91 HA SER 91 -4.440 -7.987 -1.496 719 HG SER 91 HG SER 91 -3.690 -7.729 -4.419 720 HB2 SER 91 1HB SER 91 -6.098 -7.065 -3.046 721 HB3 SER 91 2HB SER 91 -4.924 -5.938 -3.742 722 H GLN 92 H GLN 92 -2.471 -7.154 -0.309 723 HA GLN 92 HA GLN 92 -0.275 -5.994 -1.904 724 HB2 GLN 92 1HB GLN 92 0.792 -5.558 0.224 725 HB3 GLN 92 2HB GLN 92 -0.881 -5.058 0.165 726 HG2 GLN 92 1HG GLN 92 -1.459 -7.251 1.510 727 HG3 GLN 92 2HG GLN 92 0.274 -7.509 1.658 728 HE21 GLN 92 1HE2 GLN 92 -0.310 -7.410 3.949 729 HE22 GLN 92 2HE2 GLN 92 -0.495 -5.762 4.733 730 H ASP 93 H ASP 93 -0.385 -8.076 -3.090 731 HA ASP 93 HA ASP 93 2.401 -8.758 -3.219 732 HB2 ASP 93 1HB ASP 93 1.728 -10.518 -1.427 733 HB3 ASP 93 2HB ASP 93 0.813 -11.349 -2.676 734 H GLU 94 H GLU 94 2.173 -7.948 -5.238 735 HA GLU 94 HA GLU 94 0.101 -8.844 -7.130 736 HB2 GLU 94 1HB GLU 94 2.418 -6.852 -7.207 737 HB3 GLU 94 2HB GLU 94 1.680 -7.277 -8.716 738 HG2 GLU 94 1HG GLU 94 -0.039 -6.260 -6.352 739 HG3 GLU 94 2HG GLU 94 0.720 -5.203 -7.522 740 H GLN 95 H GLN 95 1.317 -11.121 -6.517 741 HA GLN 95 HA GLN 95 1.626 -12.284 -9.240 742 HB2 GLN 95 1HB GLN 95 4.004 -11.448 -8.802 743 HB3 GLN 95 2HB GLN 95 4.085 -12.483 -7.381 744 HG2 GLN 95 1HG GLN 95 3.803 -14.535 -8.895 745 HG3 GLN 95 2HG GLN 95 3.697 -13.472 -10.290 746 HE21 GLN 95 1HE2 GLN 95 5.882 -14.190 -7.555 747 HE22 GLN 95 2HE2 GLN 95 7.389 -13.896 -8.568 748 H LEU 96 H LEU 96 -0.220 -13.407 -8.492 749 HA LEU 96 HA LEU 96 0.158 -15.322 -6.147 750 HG LEU 96 HG LEU 96 -1.158 -12.393 -5.853 751 HB2 LEU 96 1HB LEU 96 -2.387 -14.015 -7.291 752 HB3 LEU 96 2HB LEU 96 -2.397 -15.205 -6.005 753 HD11 LEU 96 1HD1 LEU 96 -3.580 -13.661 -4.391 754 HD12 LEU 96 2HD1 LEU 96 -3.002 -11.987 -4.233 755 HD13 LEU 96 3HD1 LEU 96 -3.694 -12.544 -5.765 756 HD21 LEU 96 3HD2 LEU 96 -0.834 -12.870 -3.397 757 HD22 LEU 96 1HD2 LEU 96 -1.203 -14.589 -3.665 758 HD23 LEU 96 2HD2 LEU 96 0.240 -13.838 -4.398 759 H ALA 97 H ALA 97 -0.964 -17.251 -6.046 760 HA ALA 97 HA ALA 97 -1.269 -18.902 -8.530 761 HB1 ALA 97 3HB ALA 97 -1.941 -19.495 -5.564 762 HB2 ALA 97 1HB ALA 97 -1.943 -20.687 -6.877 763 HB3 ALA 97 2HB ALA 97 -0.425 -19.911 -6.401 764 H LYS 98 H LYS 98 -3.349 -19.981 -9.025 765 HA LYS 98 HA LYS 98 -5.445 -17.855 -9.267 766 HB2 LYS 98 1HB LYS 98 -4.626 -19.377 -11.151 767 HB3 LYS 98 2HB LYS 98 -5.566 -20.690 -10.461 768 HG2 LYS 98 1HG LYS 98 -6.707 -17.923 -11.271 769 HG3 LYS 98 2HG LYS 98 -6.559 -19.247 -12.401 770 HD2 LYS 98 1HD LYS 98 -8.225 -20.593 -11.401 771 HD3 LYS 98 2HD LYS 98 -8.130 -19.813 -9.844 772 HE2 LYS 98 1HE LYS 98 -9.040 -17.630 -10.931 773 HE3 LYS 98 2HE LYS 98 -9.356 -18.567 -12.395 774 HZ1 LYS 98 3HZ LYS 98 -10.746 -20.127 -10.961 775 HZ2 LYS 98 1HZ LYS 98 -10.364 -19.256 -9.615 776 HZ3 LYS 98 2HZ LYS 98 -11.321 -18.584 -10.774 777 H ALA 99 H ALA 99 -6.601 -17.581 -7.452 778 HA ALA 99 HA ALA 99 -8.193 -19.921 -6.324 779 HB1 ALA 99 3HB ALA 99 -7.594 -17.133 -5.142 780 HB2 ALA 99 1HB ALA 99 -8.496 -18.439 -4.337 781 HB3 ALA 99 2HB ALA 99 -6.791 -18.670 -4.755 782 H ALA 100 H ALA 100 -9.593 -16.741 -5.973 783 HA ALA 100 HA ALA 100 -12.117 -17.792 -7.075 784 HB1 ALA 100 3HB ALA 100 -11.415 -14.996 -5.962 785 HB2 ALA 100 1HB ALA 100 -13.052 -15.636 -6.211 786 HB3 ALA 100 2HB ALA 100 -11.982 -16.396 -5.020 787 HA PRO 101 HA PRO 101 -11.550 -15.939 -11.242 788 HB2 PRO 101 1HB PRO 101 -13.982 -16.470 -12.421 789 HB3 PRO 101 2HB PRO 101 -12.863 -17.748 -11.922 790 HG2 PRO 101 1HG PRO 101 -15.288 -16.663 -10.362 791 HG3 PRO 101 2HG PRO 101 -14.930 -18.369 -10.725 792 HD2 PRO 101 1HD PRO 101 -14.247 -17.167 -8.295 793 HD3 PRO 101 2HD PRO 101 -13.244 -18.470 -9.004 794 H LYS 102 H LYS 102 -11.275 -13.778 -10.304 795 HA LYS 102 HA LYS 102 -13.375 -11.945 -11.606 796 HB2 LYS 102 1HB LYS 102 -13.550 -11.956 -9.108 797 HB3 LYS 102 2HB LYS 102 -11.883 -11.419 -8.981 798 HG2 LYS 102 1HG LYS 102 -13.287 -9.560 -8.567 799 HG3 LYS 102 2HG LYS 102 -12.450 -9.236 -10.072 800 HD2 LYS 102 1HD LYS 102 -14.476 -9.878 -11.401 801 HD3 LYS 102 2HD LYS 102 -15.351 -10.346 -9.958 802 HE2 LYS 102 1HE LYS 102 -14.289 -7.468 -10.498 803 HE3 LYS 102 2HE LYS 102 -15.876 -8.029 -11.005 804 HZ1 LYS 102 3HZ LYS 102 -16.431 -8.503 -8.616 805 HZ2 LYS 102 1HZ LYS 102 -14.960 -7.983 -8.123 806 HZ3 LYS 102 2HZ LYS 102 -16.023 -6.919 -8.786 807 H GLN 103 H GLN 103 -11.960 -12.382 -13.392 808 HA GLN 103 HA GLN 103 -9.354 -10.840 -13.554 809 HB2 GLN 103 1HB GLN 103 -9.709 -13.064 -14.678 810 HB3 GLN 103 2HB GLN 103 -10.935 -12.351 -15.732 811 HG2 GLN 103 1HG GLN 103 -9.125 -10.721 -16.617 812 HG3 GLN 103 2HG GLN 103 -7.947 -11.530 -15.603 813 HE21 GLN 103 1HE2 GLN 103 -9.596 -11.653 -18.595 814 HE22 GLN 103 2HE2 GLN 103 -8.862 -13.273 -19.106 815 H PHE 104 H PHE 104 -10.218 -8.856 -13.019 816 HA PHE 104 HA PHE 104 -12.161 -7.472 -14.927 817 HD1 PHE 104 HD2 PHE 104 -14.560 -7.164 -14.057 818 HD2 PHE 104 HD1 PHE 104 -12.154 -4.574 -11.585 819 HE1 PHE 104 HE2 PHE 104 -16.357 -5.481 -14.046 820 HE2 PHE 104 HE1 PHE 104 -13.954 -2.908 -11.590 821 HZ PHE 104 HZ PHE 104 -16.062 -3.351 -12.815 822 HB2 PHE 104 1HB PHE 104 -12.586 -7.998 -12.463 823 HB3 PHE 104 2HB PHE 104 -11.357 -6.832 -12.025 824 H GLY 105 H GLY 105 -9.078 -7.428 -15.230 825 HA2 GLY 105 1HA GLY 105 -8.356 -4.542 -14.958 826 HA3 GLY 105 2HA GLY 105 -7.318 -5.794 -15.563 827 H ARG 106 H ARG 106 -7.465 -6.362 -17.782 828 HA ARG 106 HA ARG 106 -8.969 -4.458 -19.642 829 HE ARG 106 HE ARG 106 -5.327 -3.154 -23.964 830 HB2 ARG 106 1HB ARG 106 -6.649 -3.545 -19.258 831 HB3 ARG 106 2HB ARG 106 -5.944 -5.045 -19.863 832 HG2 ARG 106 1HG ARG 106 -7.086 -4.643 -22.120 833 HG3 ARG 106 2HG ARG 106 -7.771 -3.141 -21.496 834 HD2 ARG 106 1HD ARG 106 -5.347 -2.291 -21.065 835 HD3 ARG 106 2HD ARG 106 -4.753 -3.801 -21.714 836 HH11 ARG 106 2HH2 ARG 106 -6.623 -0.808 -21.755 837 HH12 ARG 106 1HH2 ARG 106 -6.902 0.405 -23.096 838 HH21 ARG 106 2HH1 ARG 106 -5.657 -1.768 -25.456 839 HH22 ARG 106 1HH1 ARG 106 -6.381 -0.143 -25.086 840 H ASN 107 H ASN 107 -10.345 -6.192 -20.028 841 HA ASN 107 HA ASN 107 -9.275 -8.820 -21.056 842 HB2 ASN 107 1HB ASN 107 -12.180 -7.842 -20.691 843 HB3 ASN 107 2HB ASN 107 -11.717 -9.445 -21.215 844 HD21 ASN 107 1HD2 ASN 107 -12.656 -7.870 -18.521 845 HD22 ASN 107 2HD2 ASN 107 -11.861 -9.018 -17.313 846 H LEU 108 H LEU 108 -8.186 -7.883 -22.842 847 HA LEU 108 HA LEU 108 -9.723 -6.818 -25.136 848 HG LEU 108 HG LEU 108 -6.203 -8.326 -25.722 849 HB2 LEU 108 1HB LEU 108 -7.767 -6.388 -26.250 850 HB3 LEU 108 2HB LEU 108 -7.663 -5.834 -24.599 851 HD11 LEU 108 1HD1 LEU 108 -4.192 -6.860 -25.719 852 HD12 LEU 108 2HD1 LEU 108 -5.441 -6.182 -26.772 853 HD13 LEU 108 3HD1 LEU 108 -5.153 -5.471 -25.163 854 HD21 LEU 108 3HD2 LEU 108 -6.388 -8.565 -23.249 855 HD22 LEU 108 1HD2 LEU 108 -4.747 -8.097 -23.669 856 HD23 LEU 108 2HD2 LEU 108 -5.859 -6.885 -22.997 857 H ALA 109 H ALA 109 -11.145 -8.591 -25.376 858 HA ALA 109 HA ALA 109 -10.215 -11.127 -26.586 859 HB1 ALA 109 3HB ALA 109 -12.665 -11.636 -26.763 860 HB2 ALA 109 1HB ALA 109 -12.045 -11.191 -25.169 861 HB3 ALA 109 2HB ALA 109 -13.031 -10.022 -26.107 862 H ARG 110 H ARG 110 -9.252 -10.760 -28.284 863 HA ARG 110 HA ARG 110 -10.327 -9.281 -30.713 864 HE ARG 110 HE ARG 110 -5.329 -10.575 -33.073 865 HB2 ARG 110 1HB ARG 110 -8.018 -8.989 -29.910 866 HB3 ARG 110 2HB ARG 110 -7.600 -10.652 -30.260 867 HG2 ARG 110 1HG ARG 110 -8.641 -8.699 -32.425 868 HG3 ARG 110 2HG ARG 110 -6.975 -8.674 -31.912 869 HD2 ARG 110 1HD ARG 110 -8.329 -11.177 -33.166 870 HD3 ARG 110 2HD ARG 110 -7.482 -9.949 -34.039 871 HH11 ARG 110 2HH2 ARG 110 -7.870 -12.692 -31.859 872 HH12 ARG 110 1HH2 ARG 110 -6.638 -13.986 -31.491 873 HH21 ARG 110 2HH1 ARG 110 -4.014 -12.069 -32.578 874 HH22 ARG 110 1HH1 ARG 110 -4.589 -13.631 -31.849 875 H ASP 111 H ASP 111 -11.900 -10.404 -31.710 876 HA ASP 111 HA ASP 111 -11.861 -13.297 -32.162 877 HB2 ASP 111 1HB ASP 111 -14.036 -12.989 -33.102 878 HB3 ASP 111 2HB ASP 111 -13.877 -11.991 -31.689 879 H LYS 112 H LYS 112 -12.702 -13.930 -34.415 880 HA LYS 112 HA LYS 112 -11.473 -12.443 -36.689 881 HB2 LYS 112 1HB LYS 112 -9.901 -14.412 -36.269 882 HB3 LYS 112 2HB LYS 112 -11.222 -15.522 -36.641 883 HG2 LYS 112 1HG LYS 112 -11.415 -14.413 -38.961 884 HG3 LYS 112 2HG LYS 112 -10.027 -13.408 -38.583 885 HD2 LYS 112 1HD LYS 112 -10.049 -16.506 -38.642 886 HD3 LYS 112 2HD LYS 112 -9.619 -15.481 -40.005 887 HE2 LYS 112 1HE LYS 112 -7.688 -14.476 -38.666 888 HE3 LYS 112 2HE LYS 112 -8.084 -15.532 -37.306 889 HZ1 LYS 112 3HZ LYS 112 -6.360 -16.599 -38.769 890 HZ2 LYS 112 1HZ LYS 112 -7.734 -17.501 -38.814 891 HZ3 LYS 112 2HZ LYS 112 -7.359 -16.524 -40.072 892 H LYS 113 H LYS 113 -13.714 -11.798 -36.173 893 HA LYS 113 HA LYS 113 -15.903 -13.551 -37.229 894 HB2 LYS 113 1HB LYS 113 -15.964 -12.135 -35.143 895 HB3 LYS 113 2HB LYS 113 -15.866 -10.680 -36.117 896 HG2 LYS 113 1HG LYS 113 -18.134 -11.506 -37.240 897 HG3 LYS 113 2HG LYS 113 -18.171 -12.737 -35.964 898 HD2 LYS 113 1HD LYS 113 -17.909 -10.804 -34.233 899 HD3 LYS 113 2HD LYS 113 -17.975 -9.673 -35.584 900 HE2 LYS 113 1HE LYS 113 -20.325 -10.757 -36.178 901 HE3 LYS 113 2HE LYS 113 -20.225 -11.582 -34.614 902 HZ1 LYS 113 3HZ LYS 113 -21.330 -9.351 -34.326 903 HZ2 LYS 113 1HZ LYS 113 -19.841 -9.251 -33.608 904 HZ3 LYS 113 2HZ LYS 113 -20.074 -8.605 -35.106 905 H LYS 114 H LYS 114 -16.127 -13.686 -39.394 906 HA LYS 114 HA LYS 114 -15.657 -11.369 -41.247 907 HB2 LYS 114 1HB LYS 114 -14.982 -13.628 -41.829 908 HB3 LYS 114 2HB LYS 114 -16.622 -14.234 -41.796 909 HG2 LYS 114 1HG LYS 114 -16.107 -11.825 -43.624 910 HG3 LYS 114 2HG LYS 114 -15.210 -13.259 -44.023 911 HD2 LYS 114 1HD LYS 114 -16.953 -14.401 -44.851 912 HD3 LYS 114 2HD LYS 114 -18.044 -14.047 -43.550 913 HE2 LYS 114 1HE LYS 114 -17.409 -11.998 -45.803 914 HE3 LYS 114 2HE LYS 114 -18.681 -13.212 -45.909 915 HZ1 LYS 114 3HZ LYS 114 -19.049 -12.044 -43.386 916 HZ2 LYS 114 1HZ LYS 114 -18.770 -10.743 -44.301 917 HZ3 LYS 114 2HZ LYS 114 -20.011 -11.756 -44.697 918 H GLN 115 H GLN 115 -17.184 -10.091 -40.029 919 HA GLN 115 HA GLN 115 -20.038 -10.256 -40.992 920 HB2 GLN 115 1HB GLN 115 -20.538 -8.386 -39.547 921 HB3 GLN 115 2HB GLN 115 -19.865 -9.773 -38.729 922 HG2 GLN 115 1HG GLN 115 -17.776 -8.694 -38.223 923 HG3 GLN 115 2HG GLN 115 -17.977 -7.425 -39.397 924 HE21 GLN 115 1HE2 GLN 115 -18.896 -5.516 -38.662 925 HE22 GLN 115 2HE2 GLN 115 -19.659 -5.378 -36.998 926 H ARG 116 H ARG 116 -19.232 -7.032 -40.890 927 HA ARG 116 HA ARG 116 -18.449 -6.794 -43.798 928 HE ARG 116 HE ARG 116 -20.025 -2.316 -43.483 929 HB2 ARG 116 1HB ARG 116 -21.055 -6.822 -43.579 930 HB3 ARG 116 2HB ARG 116 -20.946 -5.279 -42.763 931 HG2 ARG 116 1HG ARG 116 -19.968 -5.943 -45.622 932 HG3 ARG 116 2HG ARG 116 -21.518 -5.254 -45.219 933 HD2 ARG 116 1HD ARG 116 -18.780 -3.879 -44.824 934 HD3 ARG 116 2HD ARG 116 -19.861 -3.597 -46.150 935 HH11 ARG 116 2HH2 ARG 116 -22.105 -3.309 -46.088 936 HH12 ARG 116 1HH2 ARG 116 -23.274 -1.947 -45.713 937 HH21 ARG 116 2HH1 ARG 116 -21.202 -0.870 -43.153 938 HH22 ARG 116 1HH1 ARG 116 -22.802 -0.607 -44.060 939 H GLY 117 H GLY 117 -16.541 -5.953 -43.079 940 HA2 GLY 117 1HA GLY 117 -16.202 -3.912 -41.032 941 HA3 GLY 117 2HA GLY 117 -14.978 -4.397 -42.179 942 H ARG 118 H ARG 118 -17.921 -2.528 -42.121 943 HA ARG 118 HA ARG 118 -16.602 0.001 -42.763 944 HE ARG 118 HE ARG 118 -18.316 1.893 -43.324 945 HB2 ARG 118 1HB ARG 118 -16.967 -1.334 -45.130 946 HB3 ARG 118 2HB ARG 118 -18.580 -0.686 -45.033 947 HG2 ARG 118 1HG ARG 118 -16.035 1.075 -44.765 948 HG3 ARG 118 2HG ARG 118 -16.593 0.505 -46.311 949 HD2 ARG 118 1HD ARG 118 -17.318 2.769 -46.047 950 HD3 ARG 118 2HD ARG 118 -18.759 1.726 -46.097 951 HH11 ARG 118 2HH2 ARG 118 -18.777 4.380 -45.725 952 HH12 ARG 118 1HH2 ARG 118 -19.748 5.376 -44.532 953 HH21 ARG 118 2HH1 ARG 118 -19.305 2.918 -42.129 954 HH22 ARG 118 1HH1 ARG 118 -20.030 4.573 -42.502 Start of MODEL 3 1 HA MET 1 HA MET 1 12.730 23.547 2.902 2 H1 MET 1 1H MET 1 11.757 21.225 2.690 3 H2 MET 1 2H MET 1 10.456 21.842 1.892 4 H3 MET 1 3H MET 1 11.970 21.924 1.166 5 HB2 MET 1 1HB MET 1 10.022 24.349 1.626 6 HB3 MET 1 2HB MET 1 11.148 25.438 2.414 7 HG2 MET 1 1HG MET 1 11.564 25.724 0.110 8 HG3 MET 1 2HG MET 1 12.940 24.747 0.635 9 HE1 MET 1 3HE MET 1 12.211 23.398 -2.988 10 HE2 MET 1 1HE MET 1 12.089 25.081 -2.409 11 HE3 MET 1 2HE MET 1 13.443 24.044 -1.870 12 H ALA 2 H ALA 2 9.227 22.787 3.391 13 HA ALA 2 HA ALA 2 9.636 22.543 6.306 14 HB1 ALA 2 3HB ALA 2 8.054 25.049 5.409 15 HB2 ALA 2 1HB ALA 2 8.176 24.437 7.074 16 HB3 ALA 2 2HB ALA 2 9.627 25.036 6.245 17 H GLY 3 H GLY 3 8.792 20.545 5.602 18 HA2 GLY 3 1HA GLY 3 5.765 20.411 5.088 19 HA3 GLY 3 2HA GLY 3 6.879 19.113 4.752 20 H SER 4 H SER 4 7.439 17.683 6.474 21 HA SER 4 HA SER 4 7.083 18.575 9.316 22 HG SER 4 HG SER 4 4.856 18.743 8.417 23 HB2 SER 4 1HB SER 4 5.398 16.192 8.306 24 HB3 SER 4 2HB SER 4 5.658 16.609 9.999 25 H GLY 5 H GLY 5 8.809 17.923 10.319 26 HA2 GLY 5 1HA GLY 5 10.292 15.312 9.699 27 HA3 GLY 5 2HA GLY 5 10.830 16.570 10.802 28 H ILE 6 H ILE 6 8.480 14.030 10.384 29 HA ILE 6 HA ILE 6 7.729 14.151 13.323 30 HB ILE 6 HB ILE 6 6.127 15.296 11.942 31 HG12 ILE 6 1HG1 ILE 6 4.953 12.765 13.256 32 HG13 ILE 6 2HG1 ILE 6 5.557 14.164 14.125 33 HG21 ILE 6 1HG2 ILE 6 4.618 14.207 10.334 34 HG22 ILE 6 2HG2 ILE 6 6.296 13.874 9.866 35 HG23 ILE 6 3HG2 ILE 6 5.331 12.601 10.636 36 HD11 ILE 6 3HD1 ILE 6 3.820 15.644 13.001 37 HD12 ILE 6 1HD1 ILE 6 3.143 14.206 12.200 38 HD13 ILE 6 2HD1 ILE 6 3.120 14.329 13.970 39 H ILE 7 H ILE 7 8.392 12.403 14.266 40 HA ILE 7 HA ILE 7 8.156 9.664 13.100 41 HB ILE 7 HB ILE 7 9.924 10.184 14.641 42 HG12 ILE 7 1HG1 ILE 7 9.821 8.189 16.140 43 HG13 ILE 7 2HG1 ILE 7 8.110 7.974 15.809 44 HG21 ILE 7 1HG2 ILE 7 8.789 11.694 16.321 45 HG22 ILE 7 2HG2 ILE 7 7.904 10.306 16.981 46 HG23 ILE 7 3HG2 ILE 7 9.677 10.370 17.082 47 HD11 ILE 7 3HD1 ILE 7 9.621 6.432 14.486 48 HD12 ILE 7 1HD1 ILE 7 8.623 7.423 13.405 49 HD13 ILE 7 2HD1 ILE 7 10.342 7.825 13.654 50 H TYR 8 H TYR 8 5.999 9.981 12.355 51 HA TYR 8 HA TYR 8 3.736 9.772 14.308 52 HD1 TYR 8 HD1 TYR 8 1.901 11.941 13.575 53 HD2 TYR 8 HD2 TYR 8 1.550 8.442 11.106 54 HE1 TYR 8 HE1 TYR 8 -0.557 12.058 13.755 55 HE2 TYR 8 HE2 TYR 8 -0.918 8.609 11.241 56 HH TYR 8 HH TYR 8 -2.477 9.604 13.245 57 HB2 TYR 8 1HB TYR 8 3.809 11.128 12.073 58 HB3 TYR 8 2HB TYR 8 3.699 9.615 11.220 59 H LYS 9 H LYS 9 2.660 7.889 14.786 60 HA LYS 9 HA LYS 9 3.347 5.308 13.384 61 HB2 LYS 9 1HB LYS 9 5.130 6.016 15.307 62 HB3 LYS 9 2HB LYS 9 3.915 5.439 16.400 63 HG2 LYS 9 1HG LYS 9 5.457 3.655 16.025 64 HG3 LYS 9 2HG LYS 9 3.950 3.168 15.284 65 HD2 LYS 9 1HD LYS 9 5.861 2.509 13.920 66 HD3 LYS 9 2HD LYS 9 4.810 3.576 13.018 67 HE2 LYS 9 1HE LYS 9 6.391 5.532 13.444 68 HE3 LYS 9 2HE LYS 9 7.431 4.481 14.414 69 HZ1 LYS 9 3HZ LYS 9 8.268 4.563 12.095 70 HZ2 LYS 9 1HZ LYS 9 7.723 3.035 12.341 71 HZ3 LYS 9 2HZ LYS 9 6.828 4.114 11.454 72 H GLN 10 H GLN 10 1.253 4.793 12.967 73 HA GLN 10 HA GLN 10 -0.643 4.518 15.349 74 HB2 GLN 10 1HB GLN 10 -1.394 4.576 12.378 75 HB3 GLN 10 2HB GLN 10 -2.471 4.709 13.758 76 HG2 GLN 10 1HG GLN 10 -0.365 6.806 12.918 77 HG3 GLN 10 2HG GLN 10 -2.012 6.759 12.368 78 HE21 GLN 10 1HE2 GLN 10 -0.408 6.723 15.609 79 HE22 GLN 10 2HE2 GLN 10 -1.527 8.058 16.212 80 HA PRO 11 HA PRO 11 0.257 0.155 13.943 81 HB2 PRO 11 1HB PRO 11 1.133 -1.008 16.277 82 HB3 PRO 11 2HB PRO 11 2.054 0.279 15.471 83 HG2 PRO 11 1HG PRO 11 0.061 0.613 17.808 84 HG3 PRO 11 2HG PRO 11 1.757 1.167 17.765 85 HD2 PRO 11 1HD PRO 11 -0.400 2.833 17.076 86 HD3 PRO 11 2HD PRO 11 1.204 3.020 16.318 87 H ILE 12 H ILE 12 -2.231 0.856 14.097 88 HA ILE 12 HA ILE 12 -3.598 -1.698 14.206 89 HB ILE 12 HB ILE 12 -3.676 -1.320 16.623 90 HG12 ILE 12 1HG1 ILE 12 -5.115 -2.929 15.714 91 HG13 ILE 12 2HG1 ILE 12 -5.893 -2.106 17.042 92 HG21 ILE 12 1HG2 ILE 12 -5.217 0.170 17.758 93 HG22 ILE 12 2HG2 ILE 12 -4.090 1.140 16.789 94 HG23 ILE 12 3HG2 ILE 12 -5.760 0.909 16.237 95 HD11 ILE 12 3HD1 ILE 12 -6.589 -1.822 14.049 96 HD12 ILE 12 1HD1 ILE 12 -7.593 -2.465 15.355 97 HD13 ILE 12 2HD1 ILE 12 -7.243 -0.727 15.274 98 H TYR 13 H TYR 13 -4.149 -1.296 12.132 99 HA TYR 13 HA TYR 13 -5.898 1.044 11.459 100 HD1 TYR 13 HD1 TYR 13 -3.881 3.264 12.587 101 HD2 TYR 13 HD2 TYR 13 -4.929 2.706 8.453 102 HE1 TYR 13 HE1 TYR 13 -4.540 5.638 12.425 103 HE2 TYR 13 HE2 TYR 13 -5.564 5.056 8.293 104 HH TYR 13 HH TYR 13 -5.723 7.080 9.362 105 HB2 TYR 13 1HB TYR 13 -3.011 1.299 11.305 106 HB3 TYR 13 2HB TYR 13 -3.473 1.011 9.664 107 H GLN 14 H GLN 14 -7.147 0.704 9.855 108 HA GLN 14 HA GLN 14 -7.528 -1.841 8.638 109 HB2 GLN 14 1HB GLN 14 -9.348 -1.085 7.607 110 HB3 GLN 14 2HB GLN 14 -9.226 -0.026 8.973 111 HG2 GLN 14 1HG GLN 14 -8.894 0.513 6.022 112 HG3 GLN 14 2HG GLN 14 -10.055 1.166 7.141 113 HE21 GLN 14 1HE2 GLN 14 -8.532 2.502 5.229 114 HE22 GLN 14 2HE2 GLN 14 -7.130 3.400 5.982 115 H GLY 15 H GLY 15 -5.814 0.824 7.195 116 HA2 GLY 15 1HA GLY 15 -5.312 -0.461 4.546 117 HA3 GLY 15 2HA GLY 15 -4.456 0.926 5.169 118 H ASN 16 H ASN 16 -4.654 -2.487 5.277 119 HA ASN 16 HA ASN 16 -2.400 -3.130 6.808 120 HB2 ASN 16 1HB ASN 16 -3.718 -4.795 4.594 121 HB3 ASN 16 2HB ASN 16 -2.383 -5.413 5.543 122 HD21 ASN 16 1HD2 ASN 16 -5.753 -4.571 5.742 123 HD22 ASN 16 2HD2 ASN 16 -5.929 -5.072 7.491 124 H LEU 17 H LEU 17 -2.126 -2.451 3.382 125 HA LEU 17 HA LEU 17 0.903 -2.454 3.530 126 HG LEU 17 HG LEU 17 0.165 -2.562 -0.210 127 HB2 LEU 17 1HB LEU 17 -0.987 -1.199 1.431 128 HB3 LEU 17 2HB LEU 17 0.744 -1.021 1.415 129 HD11 LEU 17 1HD1 LEU 17 2.290 -3.080 1.037 130 HD12 LEU 17 2HD1 LEU 17 1.413 -4.239 2.061 131 HD13 LEU 17 3HD1 LEU 17 1.553 -4.524 0.316 132 HD21 LEU 17 3HD2 LEU 17 -2.047 -3.377 0.661 133 HD22 LEU 17 1HD2 LEU 17 -1.011 -4.678 0.052 134 HD23 LEU 17 2HD2 LEU 17 -1.205 -4.453 1.800 135 H ILE 18 H ILE 18 -1.670 0.073 3.560 136 HA ILE 18 HA ILE 18 0.179 2.278 3.495 137 HB ILE 18 HB ILE 18 -2.802 2.091 4.251 138 HG12 ILE 18 1HG1 ILE 18 -2.584 1.497 2.054 139 HG13 ILE 18 2HG1 ILE 18 -3.180 3.126 2.012 140 HG21 ILE 18 1HG2 ILE 18 -2.417 4.127 5.276 141 HG22 ILE 18 2HG2 ILE 18 -1.187 4.675 4.120 142 HG23 ILE 18 3HG2 ILE 18 -2.910 4.636 3.668 143 HD11 ILE 18 3HD1 ILE 18 -1.538 3.175 0.296 144 HD12 ILE 18 1HD1 ILE 18 -0.530 3.735 1.643 145 HD13 ILE 18 2HD1 ILE 18 -0.454 2.044 1.154 146 H LYS 19 H LYS 19 -1.434 0.971 6.437 147 HA LYS 19 HA LYS 19 0.609 2.463 8.091 148 HB2 LYS 19 1HB LYS 19 -2.367 3.085 8.328 149 HB3 LYS 19 2HB LYS 19 -1.256 3.335 9.676 150 HG2 LYS 19 1HG LYS 19 0.211 4.757 8.048 151 HG3 LYS 19 2HG LYS 19 -1.136 4.739 6.935 152 HD2 LYS 19 1HD LYS 19 -2.666 5.719 8.668 153 HD3 LYS 19 2HD LYS 19 -1.415 5.645 9.895 154 HE2 LYS 19 1HE LYS 19 -1.310 7.372 7.331 155 HE3 LYS 19 2HE LYS 19 -1.801 7.931 8.921 156 HZ1 LYS 19 3HZ LYS 19 0.548 8.403 9.026 157 HZ2 LYS 19 1HZ LYS 19 0.621 6.841 9.590 158 HZ3 LYS 19 2HZ LYS 19 0.970 7.151 8.050 159 H GLN 20 H GLN 20 -1.380 -0.365 8.002 160 HA GLN 20 HA GLN 20 -1.169 -1.122 10.776 161 HB2 GLN 20 1HB GLN 20 -2.360 -2.307 8.798 162 HB3 GLN 20 2HB GLN 20 -0.805 -3.032 8.400 163 HG2 GLN 20 1HG GLN 20 -1.695 -4.730 9.662 164 HG3 GLN 20 2HG GLN 20 -0.875 -3.907 10.965 165 HE21 GLN 20 1HE2 GLN 20 -3.949 -4.746 9.636 166 HE22 GLN 20 2HE2 GLN 20 -4.939 -3.992 10.966 167 H ASN 21 H ASN 21 1.373 -1.427 8.297 168 HA ASN 21 HA ASN 21 3.274 -0.752 10.303 169 HB2 ASN 21 1HB ASN 21 4.913 -2.606 10.378 170 HB3 ASN 21 2HB ASN 21 3.405 -2.981 11.148 171 HD21 ASN 21 1HD2 ASN 21 2.076 -4.619 10.201 172 HD22 ASN 21 2HD2 ASN 21 2.805 -5.756 8.947 173 H ALA 22 H ALA 22 3.677 -2.314 7.037 174 HA ALA 22 HA ALA 22 6.367 -1.319 6.935 175 HB1 ALA 22 3HB ALA 22 4.566 -2.200 4.581 176 HB2 ALA 22 1HB ALA 22 6.342 -2.128 4.566 177 HB3 ALA 22 2HB ALA 22 5.519 -3.267 5.644 178 H VAL 23 H VAL 23 3.603 0.182 5.336 179 HA VAL 23 HA VAL 23 5.200 2.505 4.334 180 HB VAL 23 HB VAL 23 2.227 2.062 4.533 181 HG11 VAL 23 1HG1 VAL 23 1.898 3.949 2.895 182 HG12 VAL 23 2HG1 VAL 23 2.667 4.553 4.356 183 HG13 VAL 23 3HG1 VAL 23 3.667 4.273 2.920 184 HG21 VAL 23 3HG2 VAL 23 2.233 1.528 2.163 185 HG22 VAL 23 1HG2 VAL 23 3.982 1.901 1.992 186 HG23 VAL 23 2HG2 VAL 23 3.426 0.496 2.939 187 H GLU 24 H GLU 24 3.537 1.914 7.425 188 HA GLU 24 HA GLU 24 4.127 4.745 8.325 189 HB2 GLU 24 1HB GLU 24 2.223 3.152 9.271 190 HB3 GLU 24 2HB GLU 24 3.496 2.349 10.133 191 HG2 GLU 24 1HG GLU 24 2.559 3.924 11.642 192 HG3 GLU 24 2HG GLU 24 4.067 4.712 11.178 193 H GLN 25 H GLN 25 5.763 1.631 8.337 194 HA GLN 25 HA GLN 25 8.008 2.554 10.025 195 HB2 GLN 25 1HB GLN 25 7.072 0.068 9.555 196 HB3 GLN 25 2HB GLN 25 8.231 0.097 8.246 197 HG2 GLN 25 1HG GLN 25 9.414 -0.871 10.037 198 HG3 GLN 25 2HG GLN 25 10.038 0.761 10.046 199 HE21 GLN 25 1HE2 GLN 25 8.832 -1.613 12.024 200 HE22 GLN 25 2HE2 GLN 25 8.378 -0.522 13.433 201 H LEU 26 H LEU 26 7.741 2.387 6.439 202 HA LEU 26 HA LEU 26 10.349 3.429 5.865 203 HG LEU 26 HG LEU 26 6.753 3.986 4.858 204 HB2 LEU 26 1HB LEU 26 9.613 4.321 3.817 205 HB3 LEU 26 2HB LEU 26 8.924 2.755 4.155 206 HD11 LEU 26 1HD1 LEU 26 7.913 6.253 3.103 207 HD12 LEU 26 2HD1 LEU 26 6.240 6.128 3.709 208 HD13 LEU 26 3HD1 LEU 26 7.547 6.410 4.826 209 HD21 LEU 26 3HD2 LEU 26 7.642 4.040 1.902 210 HD22 LEU 26 1HD2 LEU 26 6.990 2.610 2.763 211 HD23 LEU 26 2HD2 LEU 26 5.965 4.020 2.476 212 H GLN 27 H GLN 27 7.776 5.237 7.261 213 HA GLN 27 HA GLN 27 7.503 7.545 7.596 214 HB2 GLN 27 1HB GLN 27 8.371 6.108 9.611 215 HB3 GLN 27 2HB GLN 27 9.784 7.126 9.534 216 HG2 GLN 27 1HG GLN 27 8.164 8.007 11.164 217 HG3 GLN 27 2HG GLN 27 8.390 9.171 9.887 218 HE21 GLN 27 1HE2 GLN 27 6.183 6.313 9.750 219 HE22 GLN 27 2HE2 GLN 27 4.680 7.351 9.792 220 H VAL 28 H VAL 28 8.323 7.981 5.444 221 HA VAL 28 HA VAL 28 10.790 9.659 5.231 222 HB VAL 28 HB VAL 28 8.601 8.972 3.159 223 HG11 VAL 28 1HG1 VAL 28 9.650 11.082 2.389 224 HG12 VAL 28 2HG1 VAL 28 11.287 10.456 2.716 225 HG13 VAL 28 3HG1 VAL 28 10.279 9.758 1.415 226 HG21 VAL 28 3HG2 VAL 28 10.379 7.490 2.161 227 HG22 VAL 28 1HG2 VAL 28 11.502 7.901 3.484 228 HG23 VAL 28 2HG2 VAL 28 10.020 6.981 3.812 229 H GLY 29 H GLY 29 10.885 11.728 5.604 230 HA2 GLY 29 1HA GLY 29 8.503 13.623 5.070 231 HA3 GLY 29 2HA GLY 29 9.561 13.890 6.431 232 H GLN 30 H GLN 30 10.340 12.902 3.167 233 HA GLN 30 HA GLN 30 12.125 15.362 2.784 234 HB2 GLN 30 1HB GLN 30 13.270 13.295 3.585 235 HB3 GLN 30 2HB GLN 30 12.739 12.408 2.165 236 HG2 GLN 30 1HG GLN 30 15.047 13.042 1.901 237 HG3 GLN 30 2HG GLN 30 14.119 13.849 0.665 238 HE21 GLN 30 1HE2 GLN 30 13.849 16.189 0.886 239 HE22 GLN 30 2HE2 GLN 30 15.067 17.091 1.939 240 H SER 31 H SER 31 10.450 12.850 0.797 241 HA SER 31 HA SER 31 10.018 14.851 -1.375 242 HG SER 31 HG SER 31 10.639 14.445 -3.652 243 HB2 SER 31 1HB SER 31 12.359 14.194 -1.885 244 HB3 SER 31 2HB SER 31 11.927 12.479 -1.912 245 H LYS 32 H LYS 32 8.546 14.262 -2.867 246 HA LYS 32 HA LYS 32 6.629 12.111 -2.163 247 HB2 LYS 32 1HB LYS 32 5.205 12.793 -3.853 248 HB3 LYS 32 2HB LYS 32 5.837 14.190 -3.008 249 HG2 LYS 32 1HG LYS 32 7.438 14.544 -5.061 250 HG3 LYS 32 2HG LYS 32 6.559 13.259 -5.854 251 HD2 LYS 32 1HD LYS 32 5.445 15.198 -6.620 252 HD3 LYS 32 2HD LYS 32 4.358 14.563 -5.385 253 HE2 LYS 32 1HE LYS 32 5.570 16.275 -3.715 254 HE3 LYS 32 2HE LYS 32 6.334 16.938 -5.145 255 HZ1 LYS 32 3HZ LYS 32 3.948 17.222 -6.092 256 HZ2 LYS 32 1HZ LYS 32 3.333 16.831 -4.630 257 HZ3 LYS 32 2HZ LYS 32 4.259 18.157 -4.748 258 H GLN 33 H GLN 33 9.192 12.284 -4.554 259 HA GLN 33 HA GLN 33 8.338 9.798 -5.952 260 HB2 GLN 33 1HB GLN 33 10.212 9.952 -7.356 261 HB3 GLN 33 2HB GLN 33 9.483 11.521 -7.183 262 HG2 GLN 33 1HG GLN 33 11.694 12.125 -7.131 263 HG3 GLN 33 2HG GLN 33 11.386 12.059 -5.424 264 HE21 GLN 33 1HE2 GLN 33 12.941 10.388 -8.098 265 HE22 GLN 33 2HE2 GLN 33 14.060 9.438 -6.984 266 H GLN 34 H GLN 34 10.239 10.244 -3.053 267 HA GLN 34 HA GLN 34 11.213 7.389 -3.099 268 HB2 GLN 34 1HB GLN 34 11.070 9.468 -0.840 269 HB3 GLN 34 2HB GLN 34 11.518 7.796 -0.545 270 HG2 GLN 34 1HG GLN 34 13.022 9.548 -2.585 271 HG3 GLN 34 2HG GLN 34 13.375 9.545 -0.872 272 HE21 GLN 34 1HE2 GLN 34 15.470 8.845 -1.398 273 HE22 GLN 34 2HE2 GLN 34 15.796 7.063 -1.742 274 H VAL 35 H VAL 35 8.532 9.016 -1.307 275 HA VAL 35 HA VAL 35 7.456 6.454 -0.274 276 HB VAL 35 HB VAL 35 7.127 8.636 0.848 277 HG11 VAL 35 1HG1 VAL 35 6.423 10.083 -1.127 278 HG12 VAL 35 2HG1 VAL 35 4.875 9.239 -1.189 279 HG13 VAL 35 3HG1 VAL 35 5.317 10.183 0.254 280 HG21 VAL 35 3HG2 VAL 35 5.743 6.632 1.440 281 HG22 VAL 35 1HG2 VAL 35 4.878 8.164 1.708 282 HG23 VAL 35 2HG2 VAL 35 4.486 7.149 0.299 283 H SER 36 H SER 36 6.630 8.369 -3.129 284 HA SER 36 HA SER 36 4.496 6.508 -4.048 285 HG SER 36 HG SER 36 4.282 7.468 -6.815 286 HB2 SER 36 1HB SER 36 4.898 9.078 -4.531 287 HB3 SER 36 2HB SER 36 6.040 8.574 -5.772 288 H ALA 37 H ALA 37 7.994 6.594 -4.736 289 HA ALA 37 HA ALA 37 7.809 4.304 -6.659 290 HB1 ALA 37 3HB ALA 37 10.283 4.235 -6.427 291 HB2 ALA 37 1HB ALA 37 9.761 5.902 -6.661 292 HB3 ALA 37 2HB ALA 37 10.221 5.354 -5.031 293 H LEU 38 H LEU 38 8.449 4.533 -3.099 294 HA LEU 38 HA LEU 38 8.718 1.626 -2.739 295 HG LEU 38 HG LEU 38 10.210 1.702 -0.809 296 HB2 LEU 38 1HB LEU 38 8.095 3.960 -0.832 297 HB3 LEU 38 2HB LEU 38 7.847 2.320 -0.277 298 HD11 LEU 38 1HD1 LEU 38 10.794 3.671 -2.408 299 HD12 LEU 38 2HD1 LEU 38 10.778 4.741 -0.994 300 HD13 LEU 38 3HD1 LEU 38 11.938 3.402 -1.098 301 HD21 LEU 38 3HD2 LEU 38 11.102 2.770 1.250 302 HD22 LEU 38 1HD2 LEU 38 9.828 4.009 1.197 303 HD23 LEU 38 2HD2 LEU 38 9.418 2.299 1.502 304 H LEU 39 H LEU 39 5.779 3.623 -2.372 305 HA LEU 39 HA LEU 39 3.911 1.320 -2.153 306 HG LEU 39 HG LEU 39 4.022 3.612 -0.500 307 HB2 LEU 39 1HB LEU 39 3.588 4.223 -3.071 308 HB3 LEU 39 2HB LEU 39 2.219 3.161 -2.969 309 HD11 LEU 39 1HD1 LEU 39 3.328 5.867 -1.431 310 HD12 LEU 39 2HD1 LEU 39 1.620 5.329 -1.345 311 HD13 LEU 39 3HD1 LEU 39 2.599 5.508 0.139 312 HD21 LEU 39 3HD2 LEU 39 2.160 1.831 -0.212 313 HD22 LEU 39 1HD2 LEU 39 1.955 3.248 0.794 314 HD23 LEU 39 2HD2 LEU 39 0.957 3.077 -0.617 315 H GLY 40 H GLY 40 5.146 3.120 -4.964 316 HA2 GLY 40 1HA GLY 40 5.594 2.032 -7.129 317 HA3 GLY 40 2HA GLY 40 4.372 0.824 -6.822 318 H THR 41 H THR 41 4.599 4.355 -7.247 319 HA THR 41 HA THR 41 2.670 4.423 -9.549 320 HB THR 41 HB THR 41 1.897 5.324 -6.703 321 HG1 THR 41 HG1 THR 41 1.544 3.201 -8.005 322 HG21 THR 41 3HG2 THR 41 0.236 5.978 -9.223 323 HG22 THR 41 1HG2 THR 41 -0.277 6.138 -7.547 324 HG23 THR 41 2HG2 THR 41 1.008 7.182 -8.168 325 HA PRO 42 HA PRO 42 4.816 8.566 -9.857 326 HB2 PRO 42 1HB PRO 42 3.455 9.692 -11.986 327 HB3 PRO 42 2HB PRO 42 4.549 8.304 -12.182 328 HG2 PRO 42 1HG PRO 42 1.487 8.215 -11.847 329 HG3 PRO 42 2HG PRO 42 2.436 7.467 -13.154 330 HD2 PRO 42 1HD PRO 42 1.668 6.035 -10.905 331 HD3 PRO 42 2HD PRO 42 3.245 5.708 -11.663 332 H SER 43 H SER 43 4.513 10.388 -8.725 333 HA SER 43 HA SER 43 1.830 11.104 -7.530 334 HG SER 43 HG SER 43 3.697 9.860 -6.121 335 HB2 SER 43 1HB SER 43 4.743 11.931 -6.924 336 HB3 SER 43 2HB SER 43 3.361 12.676 -6.135 337 H ILE 44 H ILE 44 2.714 13.920 -7.241 338 HA ILE 44 HA ILE 44 1.967 14.979 -10.039 339 HB ILE 44 HB ILE 44 0.753 15.971 -7.384 340 HG12 ILE 44 1HG1 ILE 44 -0.599 14.559 -9.795 341 HG13 ILE 44 2HG1 ILE 44 -0.191 13.754 -8.291 342 HG21 ILE 44 1HG2 ILE 44 1.116 17.863 -9.042 343 HG22 ILE 44 2HG2 ILE 44 0.282 16.926 -10.306 344 HG23 ILE 44 3HG2 ILE 44 -0.598 17.510 -8.872 345 HD11 ILE 44 3HD1 ILE 44 -2.267 16.002 -8.568 346 HD12 ILE 44 1HD1 ILE 44 -2.526 14.299 -8.153 347 HD13 ILE 44 2HD1 ILE 44 -1.693 15.378 -7.007 348 HA PRO 45 HA PRO 45 5.612 17.544 -8.631 349 HB2 PRO 45 1HB PRO 45 7.469 16.881 -10.496 350 HB3 PRO 45 2HB PRO 45 6.953 15.712 -9.259 351 HG2 PRO 45 1HG PRO 45 5.948 15.916 -12.171 352 HG3 PRO 45 2HG PRO 45 6.562 14.457 -11.350 353 HD2 PRO 45 1HD PRO 45 3.814 15.119 -11.509 354 HD3 PRO 45 2HD PRO 45 4.504 14.138 -10.188 355 H ASP 46 H ASP 46 3.885 19.149 -9.214 356 HA ASP 46 HA ASP 46 4.031 20.478 -11.864 357 HB2 ASP 46 1HB ASP 46 1.930 20.357 -10.598 358 HB3 ASP 46 2HB ASP 46 2.590 21.370 -9.319 359 HA PRO 47 HA PRO 47 7.613 23.058 -10.408 360 HB2 PRO 47 1HB PRO 47 8.193 24.384 -12.777 361 HB3 PRO 47 2HB PRO 47 8.522 22.655 -12.522 362 HG2 PRO 47 1HG PRO 47 6.032 23.879 -13.877 363 HG3 PRO 47 2HG PRO 47 7.116 22.637 -14.554 364 HD2 PRO 47 1HD PRO 47 4.759 21.968 -13.240 365 HD3 PRO 47 2HD PRO 47 6.203 20.918 -13.068 366 H PHE 48 H PHE 48 4.500 24.241 -11.159 367 HA PHE 48 HA PHE 48 5.172 27.090 -10.266 368 HD1 PHE 48 HD1 PHE 48 2.687 28.172 -8.806 369 HD2 PHE 48 HD2 PHE 48 2.723 28.437 -13.106 370 HE1 PHE 48 HE1 PHE 48 1.894 30.494 -8.676 371 HE2 PHE 48 HE2 PHE 48 1.948 30.761 -12.960 372 HZ PHE 48 HZ PHE 48 1.527 31.801 -10.750 373 HB2 PHE 48 1HB PHE 48 3.456 26.448 -12.156 374 HB3 PHE 48 2HB PHE 48 2.386 25.965 -10.883 375 H HIS 49 H HIS 49 2.963 24.419 -9.199 376 HA HIS 49 HA HIS 49 4.057 24.697 -6.408 377 HD1 HIS 49 HD1 HIS 49 3.687 25.578 -3.888 378 HD2 HIS 49 HD2 HIS 49 -0.239 24.287 -4.946 379 HE1 HIS 49 HE1 HIS 49 2.471 24.629 -1.821 380 HB2 HIS 49 1HB HIS 49 2.368 26.500 -6.407 381 HB3 HIS 49 2HB HIS 49 1.100 25.384 -6.901 382 H ALA 50 H ALA 50 4.691 22.620 -6.440 383 HA ALA 50 HA ALA 50 3.121 20.398 -7.468 384 HB1 ALA 50 3HB ALA 50 5.628 20.615 -7.426 385 HB2 ALA 50 1HB ALA 50 5.620 20.351 -5.677 386 HB3 ALA 50 2HB ALA 50 5.050 19.095 -6.792 387 H GLN 51 H GLN 51 1.175 20.529 -6.384 388 HA GLN 51 HA GLN 51 0.710 20.426 -3.581 389 HB2 GLN 51 1HB GLN 51 -1.030 19.481 -5.959 390 HB3 GLN 51 2HB GLN 51 -1.669 19.608 -4.348 391 HG2 GLN 51 1HG GLN 51 -1.102 22.053 -4.220 392 HG3 GLN 51 2HG GLN 51 -0.558 22.015 -5.892 393 HE21 GLN 51 1HE2 GLN 51 -2.152 22.705 -7.245 394 HE22 GLN 51 2HE2 GLN 51 -3.951 22.496 -6.917 395 H ARG 52 H ARG 52 -0.925 18.775 -2.728 396 HA ARG 52 HA ARG 52 0.284 16.327 -1.817 397 HE ARG 52 HE ARG 52 -5.575 16.557 -2.872 398 HB2 ARG 52 1HB ARG 52 -1.689 15.892 -0.717 399 HB3 ARG 52 2HB ARG 52 -1.566 17.617 -0.729 400 HG2 ARG 52 1HG ARG 52 -3.415 15.717 -2.249 401 HG3 ARG 52 2HG ARG 52 -3.829 16.737 -0.901 402 HD2 ARG 52 1HD ARG 52 -3.617 18.807 -2.328 403 HD3 ARG 52 2HD ARG 52 -3.159 17.799 -3.732 404 HH11 ARG 52 2HH2 ARG 52 -4.846 19.855 -3.908 405 HH12 ARG 52 1HH2 ARG 52 -6.609 20.099 -4.285 406 HH21 ARG 52 2HH1 ARG 52 -7.359 16.855 -3.359 407 HH22 ARG 52 1HH1 ARG 52 -8.017 18.474 -3.982 408 H TRP 53 H TRP 53 -0.222 14.170 -2.315 409 HA TRP 53 HA TRP 53 -0.848 13.574 -5.279 410 HD1 TRP 53 HD1 TRP 53 -1.110 11.066 -6.491 411 HE1 TRP 53 HE1 TRP 53 -0.993 8.472 -6.767 412 HE3 TRP 53 HE3 TRP 53 2.437 10.240 -2.897 413 HZ2 TRP 53 HZ2 TRP 53 0.329 6.397 -5.311 414 HZ3 TRP 53 HZ3 TRP 53 3.092 7.912 -2.391 415 HH2 TRP 53 HH2 TRP 53 2.056 6.019 -3.576 416 HB2 TRP 53 1HB TRP 53 1.307 12.768 -4.768 417 HB3 TRP 53 2HB TRP 53 0.822 12.109 -3.211 418 H ASP 54 H ASP 54 -2.965 13.526 -5.279 419 HA ASP 54 HA ASP 54 -4.557 12.165 -3.063 420 HB2 ASP 54 1HB ASP 54 -4.516 14.743 -3.739 421 HB3 ASP 54 2HB ASP 54 -5.545 14.278 -5.052 422 H TYR 55 H TYR 55 -3.900 10.204 -4.578 423 HA TYR 55 HA TYR 55 -5.757 9.790 -6.903 424 HD1 TYR 55 HD1 TYR 55 -3.710 11.069 -7.500 425 HD2 TYR 55 HD2 TYR 55 -2.698 6.945 -8.314 426 HE1 TYR 55 HE1 TYR 55 -2.154 11.784 -9.197 427 HE2 TYR 55 HE2 TYR 55 -1.153 7.705 -10.071 428 HH TYR 55 HH TYR 55 0.294 9.888 -10.204 429 HB2 TYR 55 1HB TYR 55 -3.417 8.209 -5.708 430 HB3 TYR 55 2HB TYR 55 -4.507 7.412 -6.791 431 H THR 56 H THR 56 -7.763 9.221 -6.560 432 HA THR 56 HA THR 56 -8.393 6.700 -4.912 433 HB THR 56 HB THR 56 -10.308 8.466 -6.550 434 HG1 THR 56 HG1 THR 56 -10.626 8.192 -3.862 435 HG21 THR 56 3HG2 THR 56 -12.095 7.184 -5.398 436 HG22 THR 56 1HG2 THR 56 -11.081 6.033 -6.266 437 HG23 THR 56 2HG2 THR 56 -10.906 6.204 -4.510 438 H SER 57 H SER 57 -7.032 5.368 -6.198 439 HA SER 57 HA SER 57 -7.604 5.176 -9.192 440 HG SER 57 HG SER 57 -5.067 4.741 -6.634 441 HB2 SER 57 1HB SER 57 -5.242 4.921 -9.492 442 HB3 SER 57 2HB SER 57 -5.499 6.308 -8.446 443 H THR 58 H THR 58 -7.629 3.332 -10.251 444 HA THR 58 HA THR 58 -6.681 0.827 -8.904 445 HB THR 58 HB THR 58 -9.092 0.630 -8.782 446 HG1 THR 58 HG1 THR 58 -7.514 -1.157 -9.202 447 HG21 THR 58 3HG2 THR 58 -9.148 0.426 -11.866 448 HG22 THR 58 1HG2 THR 58 -10.482 0.070 -10.746 449 HG23 THR 58 2HG2 THR 58 -9.885 1.735 -10.917 450 H GLN 59 H GLN 59 -5.491 -0.447 -10.107 451 HA GLN 59 HA GLN 59 -4.625 0.488 -12.893 452 HB2 GLN 59 1HB GLN 59 -2.273 0.791 -12.176 453 HB3 GLN 59 2HB GLN 59 -3.416 1.965 -11.546 454 HG2 GLN 59 1HG GLN 59 -3.421 0.620 -9.301 455 HG3 GLN 59 2HG GLN 59 -2.157 -0.374 -9.992 456 HE21 GLN 59 1HE2 GLN 59 -2.879 3.086 -9.324 457 HE22 GLN 59 2HE2 GLN 59 -1.108 3.432 -8.936 458 H ARG 60 H ARG 60 -5.640 -1.442 -13.342 459 HA ARG 60 HA ARG 60 -4.789 -3.882 -11.791 460 HE ARG 60 HE ARG 60 -9.191 -5.235 -13.128 461 HB2 ARG 60 1HB ARG 60 -7.084 -4.575 -11.927 462 HB3 ARG 60 2HB ARG 60 -6.890 -2.985 -11.215 463 HG2 ARG 60 1HG ARG 60 -7.723 -1.873 -13.292 464 HG3 ARG 60 2HG ARG 60 -7.836 -3.399 -14.146 465 HD2 ARG 60 1HD ARG 60 -9.414 -2.711 -11.570 466 HD3 ARG 60 2HD ARG 60 -10.018 -2.465 -13.223 467 HH11 ARG 60 2HH2 ARG 60 -11.612 -3.296 -11.541 468 HH12 ARG 60 1HH2 ARG 60 -12.607 -4.786 -11.157 469 HH21 ARG 60 2HH1 ARG 60 -10.262 -6.821 -12.654 470 HH22 ARG 60 1HH1 ARG 60 -11.857 -6.734 -11.771 471 H VAL 61 H VAL 61 -3.860 -5.546 -12.760 472 HA VAL 61 HA VAL 61 -4.187 -6.188 -15.609 473 HB VAL 61 HB VAL 61 -2.116 -6.555 -14.320 474 HG11 VAL 61 1HG1 VAL 61 -3.419 -9.096 -13.119 475 HG12 VAL 61 2HG1 VAL 61 -1.720 -8.596 -12.994 476 HG13 VAL 61 3HG1 VAL 61 -2.981 -7.644 -12.196 477 HG21 VAL 61 3HG2 VAL 61 -1.448 -8.619 -15.491 478 HG22 VAL 61 1HG2 VAL 61 -3.148 -9.072 -15.770 479 HG23 VAL 61 2HG2 VAL 61 -2.476 -7.608 -16.526 480 H ASP 62 H ASP 62 -5.654 -7.637 -12.727 481 HA ASP 62 HA ASP 62 -6.798 -9.873 -14.316 482 HB2 ASP 62 1HB ASP 62 -5.672 -9.821 -11.943 483 HB3 ASP 62 2HB ASP 62 -7.205 -9.239 -11.321 484 H ARG 63 H ARG 63 -8.875 -10.613 -13.775 485 HA ARG 63 HA ARG 63 -11.250 -8.769 -14.183 486 HE ARG 63 HE ARG 63 -15.501 -11.445 -14.806 487 HB2 ARG 63 1HB ARG 63 -11.060 -10.918 -15.485 488 HB3 ARG 63 2HB ARG 63 -11.057 -11.837 -13.977 489 HG2 ARG 63 1HG ARG 63 -13.402 -10.909 -13.468 490 HG3 ARG 63 2HG ARG 63 -13.363 -10.037 -15.009 491 HD2 ARG 63 1HD ARG 63 -13.091 -12.237 -16.250 492 HD3 ARG 63 2HD ARG 63 -13.097 -13.111 -14.694 493 HH11 ARG 63 2HH2 ARG 63 -14.232 -14.296 -16.340 494 HH12 ARG 63 1HH2 ARG 63 -15.906 -14.946 -16.684 495 HH21 ARG 63 2HH1 ARG 63 -17.383 -12.208 -15.211 496 HH22 ARG 63 1HH1 ARG 63 -17.591 -13.799 -16.064 497 H LEU 64 H LEU 64 -9.739 -10.888 -11.706 498 HA LEU 64 HA LEU 64 -11.177 -9.339 -9.590 499 HG LEU 64 HG LEU 64 -11.025 -12.980 -10.416 500 HB2 LEU 64 1HB LEU 64 -12.250 -11.122 -8.386 501 HB3 LEU 64 2HB LEU 64 -12.913 -10.832 -9.955 502 HD11 LEU 64 1HD1 LEU 64 -12.704 -13.560 -7.880 503 HD12 LEU 64 2HD1 LEU 64 -11.676 -14.708 -8.769 504 HD13 LEU 64 3HD1 LEU 64 -10.941 -13.347 -7.906 505 HD21 LEU 64 3HD2 LEU 64 -13.056 -14.324 -10.876 506 HD22 LEU 64 1HD2 LEU 64 -14.090 -13.116 -10.076 507 HD23 LEU 64 2HD2 LEU 64 -13.210 -12.698 -11.568 508 H ALA 65 H ALA 65 -9.057 -12.245 -9.846 509 HA ALA 65 HA ALA 65 -8.383 -12.104 -7.018 510 HB1 ALA 65 3HB ALA 65 -7.016 -13.664 -9.301 511 HB2 ALA 65 1HB ALA 65 -6.833 -13.998 -7.564 512 HB3 ALA 65 2HB ALA 65 -8.414 -14.198 -8.334 513 H ARG 66 H ARG 66 -6.318 -11.071 -9.761 514 HA ARG 66 HA ARG 66 -4.599 -9.538 -7.689 515 HE ARG 66 HE ARG 66 -1.211 -13.188 -6.977 516 HB2 ARG 66 1HB ARG 66 -3.812 -10.473 -10.513 517 HB3 ARG 66 2HB ARG 66 -2.802 -9.502 -9.458 518 HG2 ARG 66 1HG ARG 66 -3.780 -12.371 -8.879 519 HG3 ARG 66 2HG ARG 66 -2.203 -11.945 -9.509 520 HD2 ARG 66 1HD ARG 66 -1.524 -10.817 -7.447 521 HD3 ARG 66 2HD ARG 66 -3.122 -10.856 -6.752 522 HH11 ARG 66 2HH2 ARG 66 -4.524 -12.276 -6.213 523 HH12 ARG 66 1HH2 ARG 66 -4.735 -13.779 -5.203 524 HH21 ARG 66 2HH1 ARG 66 -1.546 -14.873 -5.839 525 HH22 ARG 66 1HH1 ARG 66 -3.149 -15.169 -5.036 526 H THR 67 H THR 67 -6.799 -8.442 -8.016 527 HA THR 67 HA THR 67 -6.611 -6.110 -9.930 528 HB THR 67 HB THR 67 -8.579 -6.507 -7.580 529 HG1 THR 67 HG1 THR 67 -8.985 -8.129 -8.957 530 HG21 THR 67 3HG2 THR 67 -8.797 -4.763 -10.121 531 HG22 THR 67 1HG2 THR 67 -10.027 -4.932 -8.850 532 HG23 THR 67 2HG2 THR 67 -8.485 -4.115 -8.506 533 H GLU 68 H GLU 68 -5.461 -4.295 -9.478 534 HA GLU 68 HA GLU 68 -4.476 -3.762 -6.651 535 HB2 GLU 68 1HB GLU 68 -2.744 -3.991 -8.323 536 HB3 GLU 68 2HB GLU 68 -3.478 -2.792 -9.373 537 HG2 GLU 68 1HG GLU 68 -1.569 -1.829 -8.290 538 HG3 GLU 68 2HG GLU 68 -3.009 -0.977 -7.749 539 H ILE 69 H ILE 69 -5.139 -2.105 -5.631 540 HA ILE 69 HA ILE 69 -6.748 0.138 -6.825 541 HB ILE 69 HB ILE 69 -7.850 -1.144 -4.251 542 HG12 ILE 69 1HG1 ILE 69 -9.979 -1.489 -5.884 543 HG13 ILE 69 2HG1 ILE 69 -8.773 -1.607 -7.152 544 HG21 ILE 69 1HG2 ILE 69 -9.771 0.474 -4.732 545 HG22 ILE 69 2HG2 ILE 69 -8.238 1.324 -4.503 546 HG23 ILE 69 3HG2 ILE 69 -8.862 1.075 -6.146 547 HD11 ILE 69 3HD1 ILE 69 -7.711 -3.576 -5.856 548 HD12 ILE 69 1HD1 ILE 69 -8.950 -3.379 -4.603 549 HD13 ILE 69 2HD1 ILE 69 -9.412 -3.847 -6.245 550 H LYS 70 H LYS 70 -5.784 1.900 -6.137 551 HA LYS 70 HA LYS 70 -4.241 1.992 -3.497 552 HB2 LYS 70 1HB LYS 70 -3.255 3.194 -6.147 553 HB3 LYS 70 2HB LYS 70 -2.703 3.699 -4.554 554 HG2 LYS 70 1HG LYS 70 -1.940 1.284 -4.094 555 HG3 LYS 70 2HG LYS 70 -2.400 0.857 -5.738 556 HD2 LYS 70 1HD LYS 70 -0.884 2.724 -6.618 557 HD3 LYS 70 2HD LYS 70 -0.430 3.126 -4.982 558 HE2 LYS 70 1HE LYS 70 1.383 1.935 -5.834 559 HE3 LYS 70 2HE LYS 70 0.644 0.831 -4.702 560 HZ1 LYS 70 3HZ LYS 70 0.007 0.668 -7.657 561 HZ2 LYS 70 1HZ LYS 70 1.288 -0.110 -7.007 562 HZ3 LYS 70 2HZ LYS 70 -0.221 -0.537 -6.495 563 H ASN 71 H ASN 71 -6.022 2.784 -2.635 564 HA ASN 71 HA ASN 71 -7.029 5.600 -3.354 565 HB2 ASN 71 1HB ASN 71 -8.016 3.603 -1.223 566 HB3 ASN 71 2HB ASN 71 -8.626 5.236 -1.416 567 HD21 ASN 71 1HD2 ASN 71 -10.273 3.064 -1.559 568 HD22 ASN 71 2HD2 ASN 71 -10.916 3.016 -3.286 569 H PHE 72 H PHE 72 -5.294 6.806 -2.832 570 HA PHE 72 HA PHE 72 -4.370 6.981 0.091 571 HD1 PHE 72 HD2 PHE 72 -2.293 5.601 1.334 572 HD2 PHE 72 HD1 PHE 72 -0.552 7.958 -1.836 573 HE1 PHE 72 HE2 PHE 72 -0.292 5.987 2.693 574 HE2 PHE 72 HE1 PHE 72 1.471 8.281 -0.412 575 HZ PHE 72 HZ PHE 72 1.578 7.316 1.822 576 HB2 PHE 72 1HB PHE 72 -2.948 5.333 -1.216 577 HB3 PHE 72 2HB PHE 72 -2.502 6.594 -2.340 578 H THR 73 H THR 73 -4.677 9.014 0.673 579 HA THR 73 HA THR 73 -3.889 11.296 -1.221 580 HB THR 73 HB THR 73 -5.756 11.418 1.192 581 HG1 THR 73 HG1 THR 73 -6.491 12.174 -1.429 582 HG21 THR 73 3HG2 THR 73 -6.203 13.773 0.306 583 HG22 THR 73 1HG2 THR 73 -4.530 13.614 0.882 584 HG23 THR 73 2HG2 THR 73 -4.868 13.577 -0.857 585 H VAL 74 H VAL 74 -1.918 11.930 -0.819 586 HA VAL 74 HA VAL 74 -0.913 12.146 2.064 587 HB VAL 74 HB VAL 74 0.064 10.195 1.080 588 HG11 VAL 74 1HG1 VAL 74 1.808 10.388 -0.782 589 HG12 VAL 74 2HG1 VAL 74 0.140 10.637 -1.352 590 HG13 VAL 74 3HG1 VAL 74 1.226 12.022 -1.110 591 HG21 VAL 74 3HG2 VAL 74 1.518 11.628 2.663 592 HG22 VAL 74 1HG2 VAL 74 2.427 10.577 1.543 593 HG23 VAL 74 2HG2 VAL 74 2.286 12.328 1.225 594 H PHE 75 H PHE 75 -0.087 13.929 2.692 595 HA PHE 75 HA PHE 75 -0.310 16.288 0.836 596 HD1 PHE 75 HD2 PHE 75 -2.280 18.237 1.657 597 HD2 PHE 75 HD1 PHE 75 -2.246 14.605 3.966 598 HE1 PHE 75 HE2 PHE 75 -4.721 18.044 1.400 599 HE2 PHE 75 HE1 PHE 75 -4.692 14.428 3.714 600 HZ PHE 75 HZ PHE 75 -5.936 16.142 2.430 601 HB2 PHE 75 1HB PHE 75 -0.207 16.063 3.907 602 HB3 PHE 75 2HB PHE 75 -0.255 17.593 3.057 603 H PHE 76 H PHE 76 1.214 17.604 0.256 604 HA PHE 76 HA PHE 76 3.997 17.491 1.499 605 HD1 PHE 76 HD1 PHE 76 5.525 15.343 0.424 606 HD2 PHE 76 HD2 PHE 76 2.471 16.076 -2.497 607 HE1 PHE 76 HE1 PHE 76 5.242 12.880 0.059 608 HE2 PHE 76 HE2 PHE 76 2.302 13.686 -2.926 609 HZ PHE 76 HZ PHE 76 3.649 12.066 -1.600 610 HB2 PHE 76 1HB PHE 76 3.510 17.944 -1.514 611 HB3 PHE 76 2HB PHE 76 5.041 17.755 -0.695 612 H GLU 77 H GLU 77 5.064 19.508 1.557 613 HA GLU 77 HA GLU 77 3.392 21.969 1.211 614 HB2 GLU 77 1HB GLU 77 4.813 23.155 2.333 615 HB3 GLU 77 2HB GLU 77 5.281 21.617 2.972 616 HG2 GLU 77 1HG GLU 77 6.799 23.302 0.875 617 HG3 GLU 77 2HG GLU 77 7.110 23.207 2.583 618 H ASN 78 H ASN 78 6.383 21.069 -0.329 619 HA ASN 78 HA ASN 78 5.044 21.341 -3.055 620 HB2 ASN 78 1HB ASN 78 6.472 23.411 -2.648 621 HB3 ASN 78 2HB ASN 78 7.905 22.417 -2.524 622 HD21 ASN 78 1HD2 ASN 78 8.692 21.466 -4.528 623 HD22 ASN 78 2HD2 ASN 78 8.068 22.142 -6.124 624 H GLU 79 H GLU 79 7.957 20.153 -1.338 625 HA GLU 79 HA GLU 79 7.658 17.489 -2.809 626 HB2 GLU 79 1HB GLU 79 10.236 19.034 -2.281 627 HB3 GLU 79 2HB GLU 79 10.303 17.312 -2.029 628 HG2 GLU 79 1HG GLU 79 9.398 18.614 -4.668 629 HG3 GLU 79 2HG GLU 79 10.987 17.947 -4.328 630 H GLN 80 H GLN 80 8.224 18.924 0.491 631 HA GLN 80 HA GLN 80 9.017 16.103 1.294 632 HB2 GLN 80 1HB GLN 80 10.325 16.722 2.941 633 HB3 GLN 80 2HB GLN 80 10.670 17.922 1.734 634 HG2 GLN 80 1HG GLN 80 9.237 19.581 3.097 635 HG3 GLN 80 2HG GLN 80 8.947 18.320 4.275 636 HE21 GLN 80 1HE2 GLN 80 10.959 17.370 5.322 637 HE22 GLN 80 2HE2 GLN 80 12.288 18.593 5.624 638 H VAL 81 H VAL 81 8.137 15.052 2.985 639 HA VAL 81 HA VAL 81 5.278 15.320 2.575 640 HB VAL 81 HB VAL 81 6.392 13.070 4.332 641 HG11 VAL 81 1HG1 VAL 81 3.963 13.064 4.022 642 HG12 VAL 81 2HG1 VAL 81 4.109 13.259 2.265 643 HG13 VAL 81 3HG1 VAL 81 4.635 11.751 3.043 644 HG21 VAL 81 3HG2 VAL 81 6.789 11.724 2.159 645 HG22 VAL 81 1HG2 VAL 81 6.896 13.290 1.299 646 HG23 VAL 81 2HG2 VAL 81 8.018 12.904 2.589 647 H VAL 82 H VAL 82 3.646 15.716 3.791 648 HA VAL 82 HA VAL 82 4.072 16.838 6.578 649 HB VAL 82 HB VAL 82 1.790 17.130 4.552 650 HG11 VAL 82 1HG1 VAL 82 2.028 18.478 7.328 651 HG12 VAL 82 2HG1 VAL 82 0.846 18.892 6.062 652 HG13 VAL 82 3HG1 VAL 82 0.783 17.307 6.847 653 HG21 VAL 82 3HG2 VAL 82 2.651 19.276 4.038 654 HG22 VAL 82 1HG2 VAL 82 3.534 19.439 5.586 655 HG23 VAL 82 2HG2 VAL 82 4.152 18.405 4.297 656 H ARG 83 H ARG 83 1.386 14.903 5.127 657 HA ARG 83 HA ARG 83 2.058 12.591 6.680 658 HE ARG 83 HE ARG 83 -2.429 11.069 7.473 659 HB2 ARG 83 1HB ARG 83 0.304 12.211 8.245 660 HB3 ARG 83 2HB ARG 83 1.107 13.701 8.604 661 HG2 ARG 83 1HG ARG 83 -1.022 14.311 9.043 662 HG3 ARG 83 2HG ARG 83 -0.864 14.953 7.441 663 HD2 ARG 83 1HD ARG 83 -3.078 13.922 7.755 664 HD3 ARG 83 2HD ARG 83 -2.206 13.196 6.439 665 HH11 ARG 83 2HH2 ARG 83 -2.366 13.372 10.064 666 HH12 ARG 83 1HH2 ARG 83 -2.844 12.085 11.285 667 HH21 ARG 83 2HH1 ARG 83 -3.508 9.765 8.859 668 HH22 ARG 83 1HH1 ARG 83 -3.373 10.221 10.618 669 H TRP 84 H TRP 84 0.757 10.754 6.309 670 HA TRP 84 HA TRP 84 -0.844 10.861 3.718 671 HD1 TRP 84 HD1 TRP 84 0.088 6.405 5.392 672 HE1 TRP 84 HE1 TRP 84 2.298 5.578 6.576 673 HE3 TRP 84 HE3 TRP 84 3.028 10.419 4.182 674 HZ2 TRP 84 HZ2 TRP 84 4.851 6.726 7.024 675 HZ3 TRP 84 HZ3 TRP 84 5.391 10.444 4.948 676 HH2 TRP 84 HH2 TRP 84 6.279 8.663 6.302 677 HB2 TRP 84 1HB TRP 84 -0.427 8.406 3.524 678 HB3 TRP 84 2HB TRP 84 0.896 9.475 3.193 679 H GLU 85 H GLU 85 -2.801 9.954 3.506 680 HA GLU 85 HA GLU 85 -3.770 8.077 5.648 681 HB2 GLU 85 1HB GLU 85 -4.525 10.546 6.155 682 HB3 GLU 85 2HB GLU 85 -5.602 10.404 4.777 683 HG2 GLU 85 1HG GLU 85 -6.774 9.928 6.900 684 HG3 GLU 85 2HG GLU 85 -6.796 8.497 5.893 685 H GLY 86 H GLY 86 -4.799 6.411 4.846 686 HA2 GLY 86 1HA GLY 86 -6.517 6.332 2.488 687 HA3 GLY 86 2HA GLY 86 -4.877 5.871 1.999 688 H ASP 87 H ASP 87 -6.256 4.136 1.341 689 HA ASP 87 HA ASP 87 -6.623 1.931 3.470 690 HB2 ASP 87 1HB ASP 87 -8.288 2.516 0.932 691 HB3 ASP 87 2HB ASP 87 -8.386 1.011 1.830 692 H TYR 88 H TYR 88 -6.407 1.817 -0.079 693 HA TYR 88 HA TYR 88 -5.005 0.597 -1.535 694 HD1 TYR 88 HD2 TYR 88 -3.382 -2.204 -1.654 695 HD2 TYR 88 HD1 TYR 88 -1.085 1.389 -0.967 696 HE1 TYR 88 HE2 TYR 88 -1.672 -2.967 -3.208 697 HE2 TYR 88 HE1 TYR 88 0.635 0.595 -2.438 698 HH TYR 88 HH TYR 88 -0.115 -1.885 -4.715 699 HB2 TYR 88 1HB TYR 88 -3.163 1.278 0.006 700 HB3 TYR 88 2HB TYR 88 -3.231 -0.295 0.785 701 H PHE 89 H PHE 89 -6.149 -0.969 -2.349 702 HA PHE 89 HA PHE 89 -7.735 -2.677 -2.549 703 HD1 PHE 89 HD1 PHE 89 -8.257 -5.738 -0.220 704 HD2 PHE 89 HD2 PHE 89 -6.472 -5.041 -4.082 705 HE1 PHE 89 HE1 PHE 89 -9.538 -7.618 -1.162 706 HE2 PHE 89 HE2 PHE 89 -7.754 -6.920 -5.007 707 HZ PHE 89 HZ PHE 89 -9.296 -8.215 -3.557 708 HB2 PHE 89 1HB PHE 89 -5.540 -3.935 -2.084 709 HB3 PHE 89 2HB PHE 89 -6.143 -4.272 -0.480 710 HA PRO 90 HA PRO 90 -10.109 -1.357 1.207 711 HB2 PRO 90 1HB PRO 90 -12.304 -0.151 0.083 712 HB3 PRO 90 2HB PRO 90 -10.668 0.541 0.036 713 HG2 PRO 90 1HG PRO 90 -12.009 -1.177 -2.160 714 HG3 PRO 90 2HG PRO 90 -11.317 0.456 -2.366 715 HD2 PRO 90 1HD PRO 90 -9.813 -1.801 -2.923 716 HD3 PRO 90 2HD PRO 90 -9.045 -0.376 -2.149 717 H SER 91 H SER 91 -10.062 -3.797 1.225 718 HA SER 91 HA SER 91 -12.943 -4.534 2.024 719 HG SER 91 HG SER 91 -13.674 -6.786 1.559 720 HB2 SER 91 1HB SER 91 -12.227 -5.916 0.014 721 HB3 SER 91 2HB SER 91 -10.887 -6.579 0.960 722 H GLN 92 H GLN 92 -12.099 -3.303 3.826 723 HA GLN 92 HA GLN 92 -10.852 -4.820 6.049 724 HB2 GLN 92 1HB GLN 92 -8.828 -3.188 6.215 725 HB3 GLN 92 2HB GLN 92 -8.784 -4.639 5.279 726 HG2 GLN 92 1HG GLN 92 -7.593 -3.195 4.027 727 HG3 GLN 92 2HG GLN 92 -9.049 -3.369 3.124 728 HE21 GLN 92 1HE2 GLN 92 -10.616 -1.259 4.355 729 HE22 GLN 92 2HE2 GLN 92 -9.725 0.246 3.804 730 H ASP 93 H ASP 93 -11.425 -3.951 7.883 731 HA ASP 93 HA ASP 93 -11.493 -1.061 8.303 732 HB2 ASP 93 1HB ASP 93 -13.906 -1.536 7.427 733 HB3 ASP 93 2HB ASP 93 -14.233 -2.242 9.006 734 H GLU 94 H GLU 94 -9.774 -2.638 9.414 735 HA GLU 94 HA GLU 94 -10.350 -3.076 12.186 736 HB2 GLU 94 1HB GLU 94 -7.564 -2.408 11.057 737 HB3 GLU 94 2HB GLU 94 -7.941 -3.218 12.561 738 HG2 GLU 94 1HG GLU 94 -7.399 -5.058 11.312 739 HG3 GLU 94 2HG GLU 94 -9.132 -5.079 11.047 740 H GLN 95 H GLN 95 -9.725 -0.289 10.794 741 HA GLN 95 HA GLN 95 -10.588 1.297 13.018 742 HB2 GLN 95 1HB GLN 95 -8.140 1.103 13.732 743 HB3 GLN 95 2HB GLN 95 -7.663 1.999 12.314 744 HG2 GLN 95 1HG GLN 95 -9.743 3.541 13.819 745 HG3 GLN 95 2HG GLN 95 -8.531 2.953 14.922 746 HE21 GLN 95 1HE2 GLN 95 -8.609 4.469 11.711 747 HE22 GLN 95 2HE2 GLN 95 -7.242 5.630 12.122 748 H LEU 96 H LEU 96 -12.020 1.385 11.152 749 HA LEU 96 HA LEU 96 -13.263 2.689 9.772 750 HG LEU 96 HG LEU 96 -13.018 5.753 8.921 751 HB2 LEU 96 1HB LEU 96 -12.924 4.239 11.621 752 HB3 LEU 96 2HB LEU 96 -11.523 4.950 10.831 753 HD11 LEU 96 1HD1 LEU 96 -15.507 5.802 9.310 754 HD12 LEU 96 2HD1 LEU 96 -14.933 4.143 9.116 755 HD13 LEU 96 3HD1 LEU 96 -15.327 4.754 10.738 756 HD21 LEU 96 3HD2 LEU 96 -13.814 6.684 11.767 757 HD22 LEU 96 1HD2 LEU 96 -12.398 7.243 10.846 758 HD23 LEU 96 2HD2 LEU 96 -14.031 7.608 10.263 759 H ALA 97 H ALA 97 -13.085 2.032 7.733 760 HA ALA 97 HA ALA 97 -10.929 2.794 5.883 761 HB1 ALA 97 3HB ALA 97 -13.800 1.798 5.309 762 HB2 ALA 97 1HB ALA 97 -12.422 1.751 4.175 763 HB3 ALA 97 2HB ALA 97 -12.387 0.778 5.652 764 H LYS 98 H LYS 98 -10.904 4.157 4.069 765 HA LYS 98 HA LYS 98 -13.033 6.290 3.849 766 HB2 LYS 98 1HB LYS 98 -11.560 8.170 3.844 767 HB3 LYS 98 2HB LYS 98 -11.618 7.385 5.392 768 HG2 LYS 98 1HG LYS 98 -9.290 7.103 3.363 769 HG3 LYS 98 2HG LYS 98 -9.375 8.343 4.591 770 HD2 LYS 98 1HD LYS 98 -9.079 5.316 5.041 771 HD3 LYS 98 2HD LYS 98 -7.853 6.547 5.217 772 HE2 LYS 98 1HE LYS 98 -9.364 7.621 7.104 773 HE3 LYS 98 2HE LYS 98 -10.378 6.176 6.973 774 HZ1 LYS 98 3HZ LYS 98 -8.151 4.878 7.352 775 HZ2 LYS 98 1HZ LYS 98 -7.504 6.353 7.874 776 HZ3 LYS 98 2HZ LYS 98 -8.792 5.604 8.644 777 H ALA 99 H ALA 99 -13.183 4.530 2.219 778 HA ALA 99 HA ALA 99 -11.641 4.985 -0.307 779 HB1 ALA 99 3HB ALA 99 -14.155 3.278 0.232 780 HB2 ALA 99 1HB ALA 99 -13.150 3.219 -1.226 781 HB3 ALA 99 2HB ALA 99 -12.459 2.740 0.338 782 H ALA 100 H ALA 100 -12.139 7.297 -0.158 783 HA ALA 100 HA ALA 100 -14.781 8.343 -0.793 784 HB1 ALA 100 3HB ALA 100 -13.614 10.554 -0.851 785 HB2 ALA 100 1HB ALA 100 -13.099 9.574 0.533 786 HB3 ALA 100 2HB ALA 100 -12.033 9.745 -0.884 787 HA PRO 101 HA PRO 101 -14.268 7.724 -5.345 788 HB2 PRO 101 1HB PRO 101 -16.796 8.322 -6.249 789 HB3 PRO 101 2HB PRO 101 -16.412 6.903 -5.249 790 HG2 PRO 101 1HG PRO 101 -17.477 9.625 -4.256 791 HG3 PRO 101 2HG PRO 101 -18.189 8.016 -3.947 792 HD2 PRO 101 1HD PRO 101 -16.482 9.189 -2.119 793 HD3 PRO 101 2HD PRO 101 -16.406 7.419 -2.407 794 H LYS 102 H LYS 102 -12.768 9.553 -4.972 795 HA LYS 102 HA LYS 102 -13.539 12.086 -6.545 796 HB2 LYS 102 1HB LYS 102 -13.105 12.206 -4.117 797 HB3 LYS 102 2HB LYS 102 -11.475 11.615 -4.305 798 HG2 LYS 102 1HG LYS 102 -12.631 14.214 -5.534 799 HG3 LYS 102 2HG LYS 102 -11.876 14.132 -3.965 800 HD2 LYS 102 1HD LYS 102 -10.423 13.623 -6.650 801 HD3 LYS 102 2HD LYS 102 -10.473 15.102 -5.745 802 HE2 LYS 102 1HE LYS 102 -8.387 14.239 -5.195 803 HE3 LYS 102 2HE LYS 102 -9.321 13.948 -3.747 804 HZ1 LYS 102 3HZ LYS 102 -9.448 11.668 -5.596 805 HZ2 LYS 102 1HZ LYS 102 -7.873 12.059 -5.206 806 HZ3 LYS 102 2HZ LYS 102 -8.932 11.687 -4.013 807 H GLN 103 H GLN 103 -13.128 11.156 -8.537 808 HA GLN 103 HA GLN 103 -10.536 9.833 -9.131 809 HB2 GLN 103 1HB GLN 103 -12.579 8.886 -9.840 810 HB3 GLN 103 2HB GLN 103 -13.072 10.296 -10.761 811 HG2 GLN 103 1HG GLN 103 -12.306 8.328 -12.117 812 HG3 GLN 103 2HG GLN 103 -11.643 9.873 -12.547 813 HE21 GLN 103 1HE2 GLN 103 -10.760 6.918 -10.732 814 HE22 GLN 103 2HE2 GLN 103 -8.983 7.086 -11.179 815 H PHE 104 H PHE 104 -9.288 11.658 -8.663 816 HA PHE 104 HA PHE 104 -8.159 11.944 -11.422 817 HD1 PHE 104 HD1 PHE 104 -9.259 15.174 -8.889 818 HD2 PHE 104 HD2 PHE 104 -5.127 13.977 -9.133 819 HE1 PHE 104 HE1 PHE 104 -8.717 16.622 -6.971 820 HE2 PHE 104 HE2 PHE 104 -4.606 15.421 -7.205 821 HZ PHE 104 HZ PHE 104 -6.380 16.747 -6.129 822 HB2 PHE 104 1HB PHE 104 -6.661 13.710 -11.091 823 HB3 PHE 104 2HB PHE 104 -8.312 14.223 -11.004 824 H GLY 105 H GLY 105 -8.082 9.781 -10.751 825 HA2 GLY 105 1HA GLY 105 -5.471 9.050 -9.304 826 HA3 GLY 105 2HA GLY 105 -6.987 8.236 -8.954 827 H ARG 106 H ARG 106 -4.408 8.590 -11.183 828 HA ARG 106 HA ARG 106 -5.161 6.096 -12.713 829 HE ARG 106 HE ARG 106 -7.652 9.694 -13.686 830 HB2 ARG 106 1HB ARG 106 -5.237 7.187 -14.912 831 HB3 ARG 106 2HB ARG 106 -6.521 7.670 -13.832 832 HG2 ARG 106 1HG ARG 106 -4.997 9.840 -13.336 833 HG3 ARG 106 2HG ARG 106 -4.077 9.318 -14.724 834 HD2 ARG 106 1HD ARG 106 -5.604 10.940 -15.518 835 HD3 ARG 106 2HD ARG 106 -6.251 9.405 -16.133 836 HH11 ARG 106 2HH2 ARG 106 -7.285 11.824 -16.419 837 HH12 ARG 106 1HH2 ARG 106 -8.888 12.633 -16.070 838 HH21 ARG 106 2HH1 ARG 106 -9.420 10.603 -13.339 839 HH22 ARG 106 1HH1 ARG 106 -10.025 11.984 -14.367 840 H ASN 107 H ASN 107 -3.408 4.984 -13.218 841 HA ASN 107 HA ASN 107 -0.762 6.109 -12.385 842 HB2 ASN 107 1HB ASN 107 -1.810 3.829 -11.746 843 HB3 ASN 107 2HB ASN 107 -1.390 3.233 -13.337 844 HD21 ASN 107 1HD2 ASN 107 0.994 3.141 -13.802 845 HD22 ASN 107 2HD2 ASN 107 2.138 3.125 -12.338 846 H LEU 108 H LEU 108 -0.559 7.597 -14.147 847 HA LEU 108 HA LEU 108 0.029 6.623 -16.883 848 HG LEU 108 HG LEU 108 1.515 9.154 -17.948 849 HB2 LEU 108 1HB LEU 108 -1.043 8.825 -16.245 850 HB3 LEU 108 2HB LEU 108 0.501 9.378 -15.604 851 HD11 LEU 108 1HD1 LEU 108 -0.095 7.520 -18.998 852 HD12 LEU 108 2HD1 LEU 108 -1.434 8.672 -18.797 853 HD13 LEU 108 3HD1 LEU 108 -0.085 9.041 -19.894 854 HD21 LEU 108 3HD2 LEU 108 -0.945 11.012 -17.651 855 HD22 LEU 108 1HD2 LEU 108 0.694 11.338 -17.038 856 HD23 LEU 108 2HD2 LEU 108 0.409 11.237 -18.782 857 H ALA 109 H ALA 109 1.639 5.039 -16.028 858 HA ALA 109 HA ALA 109 4.443 5.938 -16.655 859 HB1 ALA 109 3HB ALA 109 5.198 4.878 -14.386 860 HB2 ALA 109 1HB ALA 109 4.278 6.385 -14.221 861 HB3 ALA 109 2HB ALA 109 3.471 4.816 -13.933 862 H ARG 110 H ARG 110 5.660 4.380 -17.224 863 HA ARG 110 HA ARG 110 4.939 1.397 -17.204 864 HE ARG 110 HE ARG 110 8.374 0.351 -15.691 865 HB2 ARG 110 1HB ARG 110 6.120 2.341 -19.191 866 HB3 ARG 110 2HB ARG 110 7.497 2.810 -18.218 867 HG2 ARG 110 1HG ARG 110 6.528 -0.136 -18.456 868 HG3 ARG 110 2HG ARG 110 7.501 0.647 -19.673 869 HD2 ARG 110 1HD ARG 110 9.202 -0.376 -18.518 870 HD3 ARG 110 2HD ARG 110 9.250 1.205 -17.804 871 HH11 ARG 110 2HH2 ARG 110 8.340 -2.187 -18.072 872 HH12 ARG 110 1HH2 ARG 110 8.054 -3.463 -16.792 873 HH21 ARG 110 2HH1 ARG 110 8.071 -1.067 -14.302 874 HH22 ARG 110 1HH1 ARG 110 7.904 -2.842 -14.741 875 H ASP 111 H ASP 111 4.802 1.036 -15.067 876 HA ASP 111 HA ASP 111 6.092 2.705 -13.219 877 HB2 ASP 111 1HB ASP 111 3.747 1.428 -13.220 878 HB3 ASP 111 2HB ASP 111 4.590 0.255 -12.202 879 H LYS 112 H LYS 112 6.566 1.651 -10.957 880 HA LYS 112 HA LYS 112 9.388 0.579 -11.124 881 HB2 LYS 112 1HB LYS 112 10.576 2.604 -10.941 882 HB3 LYS 112 2HB LYS 112 9.535 2.717 -12.333 883 HG2 LYS 112 1HG LYS 112 9.298 4.228 -9.663 884 HG3 LYS 112 2HG LYS 112 9.740 4.844 -11.237 885 HD2 LYS 112 1HD LYS 112 7.335 4.321 -12.060 886 HD3 LYS 112 2HD LYS 112 6.958 3.766 -10.444 887 HE2 LYS 112 1HE LYS 112 6.055 5.907 -10.531 888 HE3 LYS 112 2HE LYS 112 7.457 6.046 -9.475 889 HZ1 LYS 112 3HZ LYS 112 7.414 6.816 -12.409 890 HZ2 LYS 112 1HZ LYS 112 7.425 7.899 -11.168 891 HZ3 LYS 112 2HZ LYS 112 8.737 6.950 -11.459 892 H LYS 113 H LYS 113 8.066 -0.624 -9.532 893 HA LYS 113 HA LYS 113 7.753 0.591 -6.859 894 HB2 LYS 113 1HB LYS 113 6.286 -1.188 -7.705 895 HB3 LYS 113 2HB LYS 113 7.570 -2.389 -7.509 896 HG2 LYS 113 1HG LYS 113 7.665 -1.980 -5.053 897 HG3 LYS 113 2HG LYS 113 6.594 -0.581 -5.183 898 HD2 LYS 113 1HD LYS 113 4.699 -2.066 -5.961 899 HD3 LYS 113 2HD LYS 113 5.769 -3.460 -5.939 900 HE2 LYS 113 1HE LYS 113 4.437 -3.578 -3.953 901 HE3 LYS 113 2HE LYS 113 6.094 -3.258 -3.452 902 HZ1 LYS 113 3HZ LYS 113 5.511 -0.900 -3.020 903 HZ2 LYS 113 1HZ LYS 113 4.068 -1.018 -3.769 904 HZ3 LYS 113 2HZ LYS 113 4.304 -1.788 -2.325 905 H LYS 114 H LYS 114 9.594 1.387 -6.187 906 HA LYS 114 HA LYS 114 12.135 -0.277 -5.774 907 HB2 LYS 114 1HB LYS 114 12.239 2.035 -6.779 908 HB3 LYS 114 2HB LYS 114 11.462 2.698 -5.335 909 HG2 LYS 114 1HG LYS 114 13.484 1.919 -3.944 910 HG3 LYS 114 2HG LYS 114 14.279 1.429 -5.442 911 HD2 LYS 114 1HD LYS 114 14.197 3.736 -6.330 912 HD3 LYS 114 2HD LYS 114 13.158 4.298 -5.034 913 HE2 LYS 114 1HE LYS 114 16.037 3.239 -4.543 914 HE3 LYS 114 2HE LYS 114 15.663 4.918 -4.907 915 HZ1 LYS 114 3HZ LYS 114 14.667 3.449 -2.446 916 HZ2 LYS 114 1HZ LYS 114 15.743 4.734 -2.511 917 HZ3 LYS 114 2HZ LYS 114 14.179 4.984 -2.870 918 H GLN 115 H GLN 115 10.733 -1.614 -4.248 919 HA GLN 115 HA GLN 115 10.061 -0.465 -1.629 920 HB2 GLN 115 1HB GLN 115 9.369 -2.627 -0.924 921 HB3 GLN 115 2HB GLN 115 8.738 -2.165 -2.491 922 HG2 GLN 115 1HG GLN 115 10.449 -3.726 -3.611 923 HG3 GLN 115 2HG GLN 115 11.027 -4.205 -2.025 924 HE21 GLN 115 1HE2 GLN 115 9.892 -5.881 -1.051 925 HE22 GLN 115 2HE2 GLN 115 8.311 -6.532 -1.734 926 H ARG 116 H ARG 116 12.342 0.451 -1.684 927 HA ARG 116 HA ARG 116 13.729 -0.580 0.745 928 HE ARG 116 HE ARG 116 16.143 -2.519 -3.226 929 HB2 ARG 116 1HB ARG 116 15.319 -0.450 -1.918 930 HB3 ARG 116 2HB ARG 116 16.073 -0.345 -0.333 931 HG2 ARG 116 1HG ARG 116 15.052 -2.606 0.289 932 HG3 ARG 116 2HG ARG 116 14.475 -2.789 -1.351 933 HD2 ARG 116 1HD ARG 116 17.454 -2.367 -0.594 934 HD3 ARG 116 2HD ARG 116 16.671 -3.952 -0.760 935 HH11 ARG 116 2HH2 ARG 116 18.883 -3.888 -1.576 936 HH12 ARG 116 1HH2 ARG 116 19.767 -4.201 -3.145 937 HH21 ARG 116 2HH1 ARG 116 17.173 -2.893 -4.990 938 HH22 ARG 116 1HH1 ARG 116 18.824 -3.654 -4.973 939 H GLY 117 H GLY 117 13.432 1.274 1.734 940 HA2 GLY 117 1HA GLY 117 13.416 3.942 0.595 941 HA3 GLY 117 2HA GLY 117 13.389 3.581 2.299 942 H ARG 118 H ARG 118 15.805 3.279 -0.183 943 HA ARG 118 HA ARG 118 17.266 5.715 0.799 944 HE ARG 118 HE ARG 118 19.988 4.835 -0.914 945 HB2 ARG 118 1HB ARG 118 18.185 3.432 1.980 946 HB3 ARG 118 2HB ARG 118 19.021 3.207 0.473 947 HG2 ARG 118 1HG ARG 118 19.319 5.348 2.629 948 HG3 ARG 118 2HG ARG 118 20.479 4.161 2.088 949 HD2 ARG 118 1HD ARG 118 19.764 6.850 0.836 950 HD3 ARG 118 2HD ARG 118 21.336 6.252 1.409 951 HH11 ARG 118 2HH2 ARG 118 22.367 7.266 -0.241 952 HH12 ARG 118 1HH2 ARG 118 22.504 7.661 -2.024 953 HH21 ARG 118 2HH1 ARG 118 20.096 5.273 -2.725 954 HH22 ARG 118 1HH1 ARG 118 21.264 6.511 -3.426 Start of MODEL 4 1 HA MET 1 HA MET 1 10.865 4.029 12.255 2 H1 MET 1 1H MET 1 8.092 3.610 13.381 3 H2 MET 1 2H MET 1 8.794 5.122 13.149 4 H3 MET 1 3H MET 1 8.464 4.126 11.859 5 HB2 MET 1 1HB MET 1 10.010 3.140 15.093 6 HB3 MET 1 2HB MET 1 11.624 2.943 14.440 7 HG2 MET 1 1HG MET 1 11.847 5.459 14.134 8 HG3 MET 1 2HG MET 1 10.248 5.678 14.872 9 HE1 MET 1 3HE MET 1 12.898 7.024 15.999 10 HE2 MET 1 1HE MET 1 11.278 7.227 16.731 11 HE3 MET 1 2HE MET 1 12.669 6.763 17.750 12 H ALA 2 H ALA 2 10.669 2.545 10.587 13 HA ALA 2 HA ALA 2 9.461 -0.166 11.049 14 HB1 ALA 2 3HB ALA 2 10.749 1.101 8.548 15 HB2 ALA 2 1HB ALA 2 9.859 -0.431 8.602 16 HB3 ALA 2 2HB ALA 2 9.016 1.081 8.969 17 H GLY 3 H GLY 3 10.918 -0.905 12.649 18 HA2 GLY 3 1HA GLY 3 13.804 -1.433 12.055 19 HA3 GLY 3 2HA GLY 3 12.937 -1.940 13.482 20 H SER 4 H SER 4 13.109 -2.731 10.035 21 HA SER 4 HA SER 4 12.422 -5.626 10.539 22 HG SER 4 HG SER 4 13.566 -6.319 7.826 23 HB2 SER 4 1HB SER 4 11.512 -4.492 8.580 24 HB3 SER 4 2HB SER 4 13.124 -4.082 7.966 25 H GLY 5 H GLY 5 14.239 -5.832 11.996 26 HA2 GLY 5 1HA GLY 5 16.996 -6.265 10.898 27 HA3 GLY 5 2HA GLY 5 16.498 -6.616 12.536 28 H ILE 6 H ILE 6 15.341 -8.658 12.901 29 HA ILE 6 HA ILE 6 16.473 -10.855 11.187 30 HB ILE 6 HB ILE 6 16.878 -11.016 13.512 31 HG12 ILE 6 1HG1 ILE 6 16.182 -13.384 13.936 32 HG13 ILE 6 2HG1 ILE 6 15.096 -13.347 12.560 33 HG21 ILE 6 1HG2 ILE 6 15.220 -11.550 15.221 34 HG22 ILE 6 2HG2 ILE 6 14.743 -10.043 14.408 35 HG23 ILE 6 3HG2 ILE 6 13.880 -11.551 14.044 36 HD11 ILE 6 3HD1 ILE 6 17.293 -14.460 12.056 37 HD12 ILE 6 1HD1 ILE 6 17.068 -13.062 10.995 38 HD13 ILE 6 2HD1 ILE 6 18.170 -12.953 12.391 39 H ILE 7 H ILE 7 15.177 -10.143 9.410 40 HA ILE 7 HA ILE 7 12.291 -10.998 9.384 41 HB ILE 7 HB ILE 7 13.039 -8.913 8.423 42 HG12 ILE 7 1HG1 ILE 7 10.870 -9.710 7.908 43 HG13 ILE 7 2HG1 ILE 7 11.556 -8.795 6.592 44 HG21 ILE 7 1HG2 ILE 7 13.994 -8.663 6.188 45 HG22 ILE 7 2HG2 ILE 7 15.152 -9.498 7.236 46 HG23 ILE 7 3HG2 ILE 7 14.245 -10.410 6.015 47 HD11 ILE 7 3HD1 ILE 7 11.992 -10.998 5.321 48 HD12 ILE 7 1HD1 ILE 7 11.164 -11.862 6.634 49 HD13 ILE 7 2HD1 ILE 7 10.283 -10.664 5.670 50 H TYR 8 H TYR 8 12.648 -13.142 9.912 51 HA TYR 8 HA TYR 8 14.040 -14.986 8.064 52 HD1 TYR 8 HD2 TYR 8 12.931 -13.960 11.990 53 HD2 TYR 8 HD1 TYR 8 11.294 -17.564 10.288 54 HE1 TYR 8 HE2 TYR 8 11.218 -14.022 13.749 55 HE2 TYR 8 HE1 TYR 8 9.596 -17.619 12.055 56 HH TYR 8 HH TYR 8 8.796 -16.617 13.881 57 HB2 TYR 8 1HB TYR 8 13.553 -16.759 9.589 58 HB3 TYR 8 2HB TYR 8 14.272 -15.374 10.348 59 H LYS 9 H LYS 9 12.858 -14.359 6.192 60 HA LYS 9 HA LYS 9 10.811 -16.465 5.493 61 HB2 LYS 9 1HB LYS 9 9.644 -14.283 6.436 62 HB3 LYS 9 2HB LYS 9 10.098 -13.499 4.944 63 HG2 LYS 9 1HG LYS 9 8.369 -16.067 5.201 64 HG3 LYS 9 2HG LYS 9 7.747 -14.430 5.181 65 HD2 LYS 9 1HD LYS 9 8.757 -14.093 2.829 66 HD3 LYS 9 2HD LYS 9 9.284 -15.758 2.871 67 HE2 LYS 9 1HE LYS 9 7.324 -15.783 1.571 68 HE3 LYS 9 2HE LYS 9 6.904 -16.580 3.088 69 HZ1 LYS 9 3HZ LYS 9 5.826 -14.405 3.826 70 HZ2 LYS 9 1HZ LYS 9 6.271 -13.697 2.427 71 HZ3 LYS 9 2HZ LYS 9 5.165 -14.906 2.368 72 H GLN 10 H GLN 10 11.499 -17.268 3.615 73 HA GLN 10 HA GLN 10 13.607 -16.141 1.974 74 HB2 GLN 10 1HB GLN 10 11.510 -18.311 1.329 75 HB3 GLN 10 2HB GLN 10 12.833 -17.928 0.247 76 HG2 GLN 10 1HG GLN 10 13.181 -18.976 3.123 77 HG3 GLN 10 2HG GLN 10 13.241 -19.933 1.651 78 HE21 GLN 10 1HE2 GLN 10 15.309 -20.154 3.256 79 HE22 GLN 10 2HE2 GLN 10 16.747 -19.261 2.530 80 HA PRO 11 HA PRO 11 11.685 -13.020 -0.370 81 HB2 PRO 11 1HB PRO 11 13.237 -12.735 -2.665 82 HB3 PRO 11 2HB PRO 11 13.789 -12.431 -1.005 83 HG2 PRO 11 1HG PRO 11 14.119 -15.055 -2.602 84 HG3 PRO 11 2HG PRO 11 15.415 -14.100 -1.826 85 HD2 PRO 11 1HD PRO 11 14.328 -16.220 -0.467 86 HD3 PRO 11 2HD PRO 11 14.631 -14.698 0.419 87 H ILE 12 H ILE 12 9.846 -14.549 -0.540 88 HA ILE 12 HA ILE 12 8.614 -13.871 -3.241 89 HB ILE 12 HB ILE 12 9.115 -16.226 -3.351 90 HG12 ILE 12 1HG1 ILE 12 6.850 -17.180 -3.878 91 HG13 ILE 12 2HG1 ILE 12 6.065 -15.802 -3.125 92 HG21 ILE 12 1HG2 ILE 12 7.198 -16.831 -1.003 93 HG22 ILE 12 2HG2 ILE 12 8.131 -17.986 -1.983 94 HG23 ILE 12 3HG2 ILE 12 8.972 -16.866 -0.894 95 HD11 ILE 12 3HD1 ILE 12 7.960 -15.641 -5.581 96 HD12 ILE 12 1HD1 ILE 12 6.185 -15.629 -5.634 97 HD13 ILE 12 2HD1 ILE 12 7.050 -14.272 -4.896 98 H TYR 13 H TYR 13 8.116 -12.015 -2.094 99 HA TYR 13 HA TYR 13 5.455 -12.085 -0.687 100 HD1 TYR 13 HD1 TYR 13 4.434 -12.398 1.377 101 HD2 TYR 13 HD2 TYR 13 7.430 -9.549 2.622 102 HE1 TYR 13 HE1 TYR 13 3.046 -11.739 3.276 103 HE2 TYR 13 HE2 TYR 13 5.996 -8.880 4.489 104 HH TYR 13 HH TYR 13 2.723 -10.344 5.027 105 HB2 TYR 13 1HB TYR 13 7.354 -12.517 1.047 106 HB3 TYR 13 2HB TYR 13 7.940 -10.912 0.732 107 H GLN 14 H GLN 14 4.496 -10.740 -2.142 108 HA GLN 14 HA GLN 14 5.493 -8.073 -2.845 109 HB2 GLN 14 1HB GLN 14 3.472 -7.659 -3.889 110 HB3 GLN 14 2HB GLN 14 3.884 -9.331 -4.191 111 HG2 GLN 14 1HG GLN 14 1.763 -8.355 -2.169 112 HG3 GLN 14 2HG GLN 14 1.415 -8.806 -3.800 113 HE21 GLN 14 1HE2 GLN 14 1.372 -11.005 -4.318 114 HE22 GLN 14 2HE2 GLN 14 1.437 -12.318 -3.044 115 H GLY 15 H GLY 15 4.119 -9.150 0.064 116 HA2 GLY 15 1HA GLY 15 2.889 -6.701 1.119 117 HA3 GLY 15 2HA GLY 15 3.477 -8.031 2.079 118 H ASN 16 H ASN 16 4.987 -5.606 0.124 119 HA ASN 16 HA ASN 16 6.524 -4.466 2.504 120 HB2 ASN 16 1HB ASN 16 7.737 -5.225 -0.247 121 HB3 ASN 16 2HB ASN 16 8.553 -4.237 0.944 122 HD21 ASN 16 1HD2 ASN 16 7.986 -7.495 0.025 123 HD22 ASN 16 2HD2 ASN 16 8.899 -8.147 1.481 124 H LEU 17 H LEU 17 5.748 -3.802 -0.958 125 HA LEU 17 HA LEU 17 6.201 -0.904 -0.680 126 HG LEU 17 HG LEU 17 4.284 -3.473 -2.627 127 HB2 LEU 17 1HB LEU 17 5.364 -0.725 -2.975 128 HB3 LEU 17 2HB LEU 17 6.709 -1.767 -2.728 129 HD11 LEU 17 1HD1 LEU 17 3.379 -3.087 -4.900 130 HD12 LEU 17 2HD1 LEU 17 3.153 -1.650 -3.905 131 HD13 LEU 17 3HD1 LEU 17 4.433 -1.672 -5.132 132 HD21 LEU 17 3HD2 LEU 17 5.373 -4.621 -4.522 133 HD22 LEU 17 1HD2 LEU 17 6.510 -3.273 -4.757 134 HD23 LEU 17 2HD2 LEU 17 6.582 -4.257 -3.276 135 H ILE 18 H ILE 18 3.011 -2.119 -1.806 136 HA ILE 18 HA ILE 18 1.722 0.052 -0.126 137 HB ILE 18 HB ILE 18 0.861 -1.668 -2.484 138 HG12 ILE 18 1HG1 ILE 18 2.147 0.464 -2.779 139 HG13 ILE 18 2HG1 ILE 18 0.639 0.360 -3.626 140 HG21 ILE 18 1HG2 ILE 18 -1.181 -1.841 -1.174 141 HG22 ILE 18 2HG2 ILE 18 -1.151 -0.125 -0.752 142 HG23 ILE 18 3HG2 ILE 18 -1.431 -0.632 -2.437 143 HD11 ILE 18 3HD1 ILE 18 1.000 2.644 -2.642 144 HD12 ILE 18 1HD1 ILE 18 -0.451 1.912 -1.938 145 HD13 ILE 18 2HD1 ILE 18 1.036 1.970 -1.000 146 H LYS 19 H LYS 19 1.500 -0.410 1.899 147 HA LYS 19 HA LYS 19 0.434 -3.065 2.903 148 HB2 LYS 19 1HB LYS 19 2.882 -3.272 2.258 149 HB3 LYS 19 2HB LYS 19 3.288 -1.998 3.383 150 HG2 LYS 19 1HG LYS 19 3.877 -4.051 4.362 151 HG3 LYS 19 2HG LYS 19 2.510 -3.458 5.308 152 HD2 LYS 19 1HD LYS 19 0.958 -5.058 4.101 153 HD3 LYS 19 2HD LYS 19 2.251 -5.507 3.003 154 HE2 LYS 19 1HE LYS 19 3.611 -6.361 5.040 155 HE3 LYS 19 2HE LYS 19 2.192 -6.087 6.056 156 HZ1 LYS 19 3HZ LYS 19 2.626 -8.421 4.756 157 HZ2 LYS 19 1HZ LYS 19 1.078 -7.990 4.977 158 HZ3 LYS 19 2HZ LYS 19 1.757 -7.714 3.559 159 H GLN 20 H GLN 20 -0.859 -2.571 4.539 160 HA GLN 20 HA GLN 20 -1.058 -0.056 5.806 161 HB2 GLN 20 1HB GLN 20 -2.869 -1.708 5.507 162 HB3 GLN 20 2HB GLN 20 -2.241 -2.683 6.822 163 HG2 GLN 20 1HG GLN 20 -4.137 -1.434 7.539 164 HG3 GLN 20 2HG GLN 20 -2.762 -0.942 8.479 165 HE21 GLN 20 1HE2 GLN 20 -1.780 1.189 7.808 166 HE22 GLN 20 2HE2 GLN 20 -2.944 2.461 7.175 167 H ASN 21 H ASN 21 0.875 -2.646 7.206 168 HA ASN 21 HA ASN 21 1.442 -0.851 9.611 169 HB2 ASN 21 1HB ASN 21 1.000 -3.336 9.921 170 HB3 ASN 21 2HB ASN 21 2.494 -3.706 9.083 171 HD21 ASN 21 1HD2 ASN 21 4.225 -3.947 10.484 172 HD22 ASN 21 2HD2 ASN 21 4.247 -3.238 12.180 173 H ALA 22 H ALA 22 3.389 -2.297 6.929 174 HA ALA 22 HA ALA 22 5.889 -0.991 7.797 175 HB1 ALA 22 3HB ALA 22 5.844 -3.050 6.355 176 HB2 ALA 22 1HB ALA 22 5.177 -2.100 4.999 177 HB3 ALA 22 2HB ALA 22 6.796 -1.753 5.620 178 H VAL 23 H VAL 23 3.432 0.094 5.396 179 HA VAL 23 HA VAL 23 4.961 2.572 4.798 180 HB VAL 23 HB VAL 23 2.011 2.111 4.234 181 HG11 VAL 23 1HG1 VAL 23 2.355 3.875 2.436 182 HG12 VAL 23 2HG1 VAL 23 2.553 4.526 4.075 183 HG13 VAL 23 3HG1 VAL 23 3.983 4.191 3.078 184 HG21 VAL 23 3HG2 VAL 23 2.702 1.553 1.894 185 HG22 VAL 23 1HG2 VAL 23 4.420 1.643 2.356 186 HG23 VAL 23 2HG2 VAL 23 3.383 0.381 3.026 187 H GLU 24 H GLU 24 2.428 1.798 7.202 188 HA GLU 24 HA GLU 24 2.210 4.530 8.311 189 HB2 GLU 24 1HB GLU 24 0.588 2.725 8.747 190 HB3 GLU 24 2HB GLU 24 1.775 1.774 9.620 191 HG2 GLU 24 1HG GLU 24 0.902 4.610 10.517 192 HG3 GLU 24 2HG GLU 24 0.013 3.169 10.947 193 H GLN 25 H GLN 25 4.335 1.801 9.203 194 HA GLN 25 HA GLN 25 5.865 3.519 11.094 195 HB2 GLN 25 1HB GLN 25 6.227 0.602 10.205 196 HB3 GLN 25 2HB GLN 25 7.402 1.390 11.238 197 HG2 GLN 25 1HG GLN 25 4.433 0.974 11.902 198 HG3 GLN 25 2HG GLN 25 5.797 0.095 12.563 199 HE21 GLN 25 1HE2 GLN 25 3.698 2.518 13.301 200 HE22 GLN 25 2HE2 GLN 25 4.742 3.321 14.572 201 H LEU 26 H LEU 26 6.571 2.840 7.670 202 HA LEU 26 HA LEU 26 9.319 3.445 7.741 203 HG LEU 26 HG LEU 26 6.287 4.119 5.554 204 HB2 LEU 26 1HB LEU 26 9.357 4.048 5.470 205 HB3 LEU 26 2HB LEU 26 8.367 2.655 5.813 206 HD11 LEU 26 1HD1 LEU 26 8.199 6.086 4.141 207 HD12 LEU 26 2HD1 LEU 26 6.412 6.115 4.115 208 HD13 LEU 26 3HD1 LEU 26 7.267 6.454 5.602 209 HD21 LEU 26 3HD2 LEU 26 8.176 3.727 3.135 210 HD22 LEU 26 1HD2 LEU 26 7.112 2.472 3.830 211 HD23 LEU 26 2HD2 LEU 26 6.403 3.888 3.044 212 H GLN 27 H GLN 27 6.924 5.879 8.217 213 HA GLN 27 HA GLN 27 7.107 8.185 8.804 214 HB2 GLN 27 1HB GLN 27 7.598 6.510 10.589 215 HB3 GLN 27 2HB GLN 27 9.325 6.797 10.409 216 HG2 GLN 27 1HG GLN 27 9.153 9.034 11.341 217 HG3 GLN 27 2HG GLN 27 7.418 9.124 11.068 218 HE21 GLN 27 1HE2 GLN 27 6.390 8.990 12.968 219 HE22 GLN 27 2HE2 GLN 27 6.848 7.850 14.336 220 H VAL 28 H VAL 28 8.229 8.144 6.416 221 HA VAL 28 HA VAL 28 10.783 9.762 6.472 222 HB VAL 28 HB VAL 28 9.197 8.559 4.100 223 HG11 VAL 28 1HG1 VAL 28 10.635 10.433 3.280 224 HG12 VAL 28 2HG1 VAL 28 12.047 9.796 4.156 225 HG13 VAL 28 3HG1 VAL 28 11.344 8.897 2.786 226 HG21 VAL 28 3HG2 VAL 28 11.107 6.875 3.989 227 HG22 VAL 28 1HG2 VAL 28 11.729 7.487 5.543 228 HG23 VAL 28 2HG2 VAL 28 10.140 6.695 5.447 229 H GLY 29 H GLY 29 10.831 11.883 6.158 230 HA2 GLY 29 1HA GLY 29 8.478 13.416 4.879 231 HA3 GLY 29 2HA GLY 29 9.341 14.060 6.246 232 H GLN 30 H GLN 30 10.206 12.606 3.126 233 HA GLN 30 HA GLN 30 12.353 14.755 2.740 234 HB2 GLN 30 1HB GLN 30 13.201 12.567 3.276 235 HB3 GLN 30 2HB GLN 30 12.254 11.767 2.035 236 HG2 GLN 30 1HG GLN 30 14.592 11.890 1.408 237 HG3 GLN 30 2HG GLN 30 13.574 12.662 0.224 238 HE21 GLN 30 1HE2 GLN 30 14.006 14.819 -0.271 239 HE22 GLN 30 2HE2 GLN 30 15.368 15.736 0.565 240 H SER 31 H SER 31 10.378 12.654 0.591 241 HA SER 31 HA SER 31 10.294 14.865 -1.504 242 HG SER 31 HG SER 31 12.448 15.188 -2.567 243 HB2 SER 31 1HB SER 31 12.095 12.404 -1.801 244 HB3 SER 31 2HB SER 31 11.469 13.277 -3.210 245 H LYS 32 H LYS 32 8.571 14.723 -2.616 246 HA LYS 32 HA LYS 32 6.559 12.714 -2.437 247 HB2 LYS 32 1HB LYS 32 5.302 13.841 -4.108 248 HB3 LYS 32 2HB LYS 32 6.013 14.994 -3.023 249 HG2 LYS 32 1HG LYS 32 7.134 14.442 -5.867 250 HG3 LYS 32 2HG LYS 32 5.851 15.551 -5.510 251 HD2 LYS 32 1HD LYS 32 7.314 16.834 -3.921 252 HD3 LYS 32 2HD LYS 32 8.694 15.804 -4.315 253 HE2 LYS 32 1HE LYS 32 8.687 16.503 -6.686 254 HE3 LYS 32 2HE LYS 32 7.160 17.365 -6.499 255 HZ1 LYS 32 3HZ LYS 32 9.823 18.054 -5.225 256 HZ2 LYS 32 1HZ LYS 32 8.844 19.044 -6.222 257 HZ3 LYS 32 2HZ LYS 32 8.387 18.714 -4.662 258 H GLN 33 H GLN 33 8.673 13.104 -5.167 259 HA GLN 33 HA GLN 33 7.654 10.710 -6.595 260 HB2 GLN 33 1HB GLN 33 8.764 12.753 -7.635 261 HB3 GLN 33 2HB GLN 33 10.314 12.196 -7.007 262 HG2 GLN 33 1HG GLN 33 10.263 11.521 -9.242 263 HG3 GLN 33 2HG GLN 33 10.046 10.042 -8.317 264 HE21 GLN 33 1HE2 GLN 33 9.379 9.501 -10.627 265 HE22 GLN 33 2HE2 GLN 33 7.591 9.701 -11.005 266 H GLN 34 H GLN 34 10.306 11.075 -4.401 267 HA GLN 34 HA GLN 34 11.467 8.334 -4.672 268 HB2 GLN 34 1HB GLN 34 11.588 10.271 -2.275 269 HB3 GLN 34 2HB GLN 34 12.393 8.711 -2.332 270 HG2 GLN 34 1HG GLN 34 13.681 9.452 -4.416 271 HG3 GLN 34 2HG GLN 34 12.988 11.056 -4.258 272 HE21 GLN 34 1HE2 GLN 34 14.151 12.470 -2.900 273 HE22 GLN 34 2HE2 GLN 34 15.525 11.856 -1.842 274 H VAL 35 H VAL 35 9.012 9.650 -2.342 275 HA VAL 35 HA VAL 35 8.437 6.934 -1.290 276 HB VAL 35 HB VAL 35 8.090 8.998 0.039 277 HG11 VAL 35 1HG1 VAL 35 6.889 10.490 -1.610 278 HG12 VAL 35 2HG1 VAL 35 5.470 9.436 -1.555 279 HG13 VAL 35 3HG1 VAL 35 6.001 10.301 -0.096 280 HG21 VAL 35 3HG2 VAL 35 7.046 6.787 0.681 281 HG22 VAL 35 1HG2 VAL 35 6.102 8.181 1.245 282 HG23 VAL 35 2HG2 VAL 35 5.556 7.258 -0.178 283 H SER 36 H SER 36 6.888 8.835 -3.864 284 HA SER 36 HA SER 36 4.816 6.780 -4.401 285 HG SER 36 HG SER 36 5.519 8.062 -7.568 286 HB2 SER 36 1HB SER 36 4.023 8.109 -6.052 287 HB3 SER 36 2HB SER 36 4.875 9.334 -5.134 288 H ALA 37 H ALA 37 8.051 7.238 -5.837 289 HA ALA 37 HA ALA 37 7.858 4.947 -7.691 290 HB1 ALA 37 3HB ALA 37 10.364 5.157 -7.794 291 HB2 ALA 37 1HB ALA 37 9.573 6.740 -7.922 292 HB3 ALA 37 2HB ALA 37 10.340 6.253 -6.391 293 H LEU 38 H LEU 38 9.019 5.080 -4.320 294 HA LEU 38 HA LEU 38 9.590 2.148 -4.159 295 HG LEU 38 HG LEU 38 11.409 2.122 -2.454 296 HB2 LEU 38 1HB LEU 38 9.356 4.416 -2.098 297 HB3 LEU 38 2HB LEU 38 9.214 2.770 -1.531 298 HD11 LEU 38 1HD1 LEU 38 11.715 3.835 -4.305 299 HD12 LEU 38 2HD1 LEU 38 11.827 5.127 -3.095 300 HD13 LEU 38 3HD1 LEU 38 13.062 3.853 -3.160 301 HD21 LEU 38 3HD2 LEU 38 12.723 3.374 -0.711 302 HD22 LEU 38 1HD2 LEU 38 11.426 4.586 -0.576 303 HD23 LEU 38 2HD2 LEU 38 11.136 2.899 -0.081 304 H LEU 39 H LEU 39 6.696 4.033 -3.254 305 HA LEU 39 HA LEU 39 5.059 1.649 -2.572 306 HG LEU 39 HG LEU 39 5.446 4.298 -1.151 307 HB2 LEU 39 1HB LEU 39 4.351 4.501 -3.491 308 HB3 LEU 39 2HB LEU 39 3.138 3.352 -2.980 309 HD11 LEU 39 1HD1 LEU 39 4.020 6.219 -1.770 310 HD12 LEU 39 2HD1 LEU 39 2.534 5.317 -1.369 311 HD13 LEU 39 3HD1 LEU 39 3.692 5.759 -0.091 312 HD21 LEU 39 3HD2 LEU 39 2.801 2.947 -0.332 313 HD22 LEU 39 1HD2 LEU 39 4.321 2.060 -0.516 314 HD23 LEU 39 2HD2 LEU 39 4.186 3.318 0.699 315 H GLY 40 H GLY 40 5.589 3.322 -5.615 316 HA2 GLY 40 1HA GLY 40 5.482 2.049 -7.793 317 HA3 GLY 40 2HA GLY 40 4.223 1.022 -7.145 318 H THR 41 H THR 41 4.711 4.546 -7.586 319 HA THR 41 HA THR 41 2.391 4.857 -9.473 320 HB THR 41 HB THR 41 2.365 5.986 -6.582 321 HG1 THR 41 HG1 THR 41 1.601 3.730 -7.514 322 HG21 THR 41 3HG2 THR 41 0.002 6.749 -7.160 323 HG22 THR 41 1HG2 THR 41 1.230 7.675 -8.029 324 HG23 THR 41 2HG2 THR 41 0.319 6.387 -8.861 325 HA PRO 42 HA PRO 42 5.056 8.651 -10.198 326 HB2 PRO 42 1HB PRO 42 3.581 9.932 -12.158 327 HB3 PRO 42 2HB PRO 42 4.476 8.423 -12.451 328 HG2 PRO 42 1HG PRO 42 1.487 8.706 -11.759 329 HG3 PRO 42 2HG PRO 42 2.183 7.828 -13.150 330 HD2 PRO 42 1HD PRO 42 1.498 6.531 -10.792 331 HD3 PRO 42 2HD PRO 42 2.931 6.000 -11.720 332 H SER 43 H SER 43 5.134 10.586 -9.171 333 HA SER 43 HA SER 43 2.814 11.423 -7.458 334 HG SER 43 HG SER 43 6.384 12.065 -8.201 335 HB2 SER 43 1HB SER 43 4.455 12.599 -6.147 336 HB3 SER 43 2HB SER 43 5.143 11.054 -6.561 337 H ILE 44 H ILE 44 4.117 14.146 -7.431 338 HA ILE 44 HA ILE 44 3.074 15.445 -9.996 339 HB ILE 44 HB ILE 44 2.796 16.809 -7.257 340 HG12 ILE 44 1HG1 ILE 44 0.506 15.878 -9.126 341 HG13 ILE 44 2HG1 ILE 44 1.005 14.975 -7.706 342 HG21 ILE 44 1HG2 ILE 44 1.901 18.702 -8.524 343 HG22 ILE 44 2HG2 ILE 44 3.350 18.208 -9.414 344 HG23 ILE 44 3HG2 ILE 44 1.755 17.754 -10.026 345 HD11 ILE 44 3HD1 ILE 44 -0.070 17.862 -7.569 346 HD12 ILE 44 1HD1 ILE 44 -0.921 16.371 -7.098 347 HD13 ILE 44 2HD1 ILE 44 0.496 16.884 -6.191 348 HA PRO 45 HA PRO 45 7.564 15.840 -8.815 349 HB2 PRO 45 1HB PRO 45 8.828 14.861 -11.028 350 HB3 PRO 45 2HB PRO 45 7.799 13.838 -9.995 351 HG2 PRO 45 1HG PRO 45 6.954 15.268 -12.603 352 HG3 PRO 45 2HG PRO 45 6.812 13.523 -12.247 353 HD2 PRO 45 1HD PRO 45 4.690 15.274 -11.798 354 HD3 PRO 45 2HD PRO 45 4.992 13.871 -10.729 355 H ASP 46 H ASP 46 6.729 18.192 -8.897 356 HA ASP 46 HA ASP 46 8.574 19.721 -10.751 357 HB2 ASP 46 1HB ASP 46 7.218 21.573 -10.792 358 HB3 ASP 46 2HB ASP 46 6.218 20.191 -11.137 359 HA PRO 47 HA PRO 47 10.635 21.280 -6.881 360 HB2 PRO 47 1HB PRO 47 12.509 22.935 -8.031 361 HB3 PRO 47 2HB PRO 47 12.590 21.168 -8.206 362 HG2 PRO 47 1HG PRO 47 11.350 23.167 -10.210 363 HG3 PRO 47 2HG PRO 47 12.610 21.952 -10.558 364 HD2 PRO 47 1HD PRO 47 9.889 21.455 -10.989 365 HD3 PRO 47 2HD PRO 47 10.985 20.133 -10.478 366 H PHE 48 H PHE 48 8.486 22.950 -8.852 367 HA PHE 48 HA PHE 48 8.948 25.719 -7.764 368 HD1 PHE 48 HD1 PHE 48 8.788 27.768 -9.765 369 HD2 PHE 48 HD2 PHE 48 4.894 26.132 -8.924 370 HE1 PHE 48 HE1 PHE 48 7.824 30.035 -9.784 371 HE2 PHE 48 HE2 PHE 48 3.941 28.406 -8.948 372 HZ PHE 48 HZ PHE 48 5.402 30.362 -9.375 373 HB2 PHE 48 1HB PHE 48 8.261 25.280 -10.125 374 HB3 PHE 48 2HB PHE 48 6.729 24.622 -9.601 375 H HIS 49 H HIS 49 6.018 23.578 -7.565 376 HA HIS 49 HA HIS 49 5.775 24.090 -4.686 377 HD1 HIS 49 HD1 HIS 49 2.531 27.576 -4.806 378 HD2 HIS 49 HD2 HIS 49 4.081 24.123 -2.787 379 HE1 HIS 49 HE1 HIS 49 1.630 27.459 -2.394 380 HB2 HIS 49 1HB HIS 49 4.977 26.340 -5.674 381 HB3 HIS 49 2HB HIS 49 3.609 25.496 -6.387 382 H ALA 50 H ALA 50 5.992 21.815 -5.420 383 HA ALA 50 HA ALA 50 3.654 20.421 -6.488 384 HB1 ALA 50 3HB ALA 50 5.951 19.733 -6.920 385 HB2 ALA 50 1HB ALA 50 6.218 19.346 -5.207 386 HB3 ALA 50 2HB ALA 50 5.042 18.426 -6.162 387 H GLN 51 H GLN 51 1.922 20.482 -5.271 388 HA GLN 51 HA GLN 51 1.928 19.812 -2.315 389 HB2 GLN 51 1HB GLN 51 -0.180 21.015 -4.228 390 HB3 GLN 51 2HB GLN 51 -0.492 20.719 -2.525 391 HG2 GLN 51 1HG GLN 51 1.408 22.162 -1.824 392 HG3 GLN 51 2HG GLN 51 1.834 22.510 -3.481 393 HE21 GLN 51 1HE2 GLN 51 0.488 23.905 -4.689 394 HE22 GLN 51 2HE2 GLN 51 -0.728 24.970 -3.811 395 H ARG 52 H ARG 52 -0.633 18.867 -2.020 396 HA ARG 52 HA ARG 52 -0.012 16.214 -1.625 397 HE ARG 52 HE ARG 52 -5.292 17.395 -3.819 398 HB2 ARG 52 1HB ARG 52 -2.121 15.920 -0.701 399 HB3 ARG 52 2HB ARG 52 -1.803 17.606 -0.506 400 HG2 ARG 52 1HG ARG 52 -3.664 16.187 -2.489 401 HG3 ARG 52 2HG ARG 52 -4.164 17.078 -1.089 402 HD2 ARG 52 1HD ARG 52 -4.192 19.115 -2.145 403 HD3 ARG 52 2HD ARG 52 -2.694 18.876 -3.009 404 HH11 ARG 52 2HH2 ARG 52 -2.561 19.296 -4.901 405 HH12 ARG 52 1HH2 ARG 52 -2.716 18.629 -6.600 406 HH21 ARG 52 2HH1 ARG 52 -5.268 16.527 -5.657 407 HH22 ARG 52 1HH1 ARG 52 -4.179 17.141 -6.992 408 H TRP 53 H TRP 53 -0.692 14.216 -2.222 409 HA TRP 53 HA TRP 53 -1.593 13.736 -5.134 410 HD1 TRP 53 HD1 TRP 53 -2.496 10.600 -5.334 411 HE1 TRP 53 HE1 TRP 53 -2.039 8.030 -5.428 412 HE3 TRP 53 HE3 TRP 53 2.298 10.751 -3.478 413 HZ2 TRP 53 HZ2 TRP 53 0.169 6.379 -4.650 414 HZ3 TRP 53 HZ3 TRP 53 3.438 8.597 -2.992 415 HH2 TRP 53 HH2 TRP 53 2.386 6.460 -3.583 416 HB2 TRP 53 1HB TRP 53 0.535 12.771 -4.884 417 HB3 TRP 53 2HB TRP 53 0.261 12.276 -3.223 418 H ASP 54 H ASP 54 -3.820 14.049 -4.637 419 HA ASP 54 HA ASP 54 -5.103 12.209 -2.589 420 HB2 ASP 54 1HB ASP 54 -6.867 13.853 -2.509 421 HB3 ASP 54 2HB ASP 54 -5.294 14.524 -2.144 422 H TYR 55 H TYR 55 -4.504 10.866 -4.788 423 HA TYR 55 HA TYR 55 -6.886 10.934 -6.662 424 HD1 TYR 55 HD2 TYR 55 -6.416 12.746 -8.028 425 HD2 TYR 55 HD1 TYR 55 -2.352 11.368 -7.573 426 HE1 TYR 55 HE2 TYR 55 -5.594 15.023 -8.371 427 HE2 TYR 55 HE1 TYR 55 -1.552 13.644 -7.881 428 HH TYR 55 HH TYR 55 -2.146 15.726 -8.579 429 HB2 TYR 55 1HB TYR 55 -4.092 9.775 -7.176 430 HB3 TYR 55 2HB TYR 55 -5.369 9.999 -8.357 431 H THR 56 H THR 56 -8.381 9.492 -6.458 432 HA THR 56 HA THR 56 -8.073 6.862 -5.212 433 HB THR 56 HB THR 56 -10.441 7.923 -6.879 434 HG1 THR 56 HG1 THR 56 -9.896 8.101 -4.077 435 HG21 THR 56 3HG2 THR 56 -11.825 6.467 -5.409 436 HG22 THR 56 1HG2 THR 56 -10.660 5.459 -6.288 437 HG23 THR 56 2HG2 THR 56 -10.386 5.846 -4.577 438 H SER 57 H SER 57 -6.679 5.589 -6.300 439 HA SER 57 HA SER 57 -7.249 4.758 -9.182 440 HG SER 57 HG SER 57 -4.765 4.987 -6.577 441 HB2 SER 57 1HB SER 57 -4.843 4.616 -9.414 442 HB3 SER 57 2HB SER 57 -5.224 6.163 -8.661 443 H THR 58 H THR 58 -6.690 2.637 -9.862 444 HA THR 58 HA THR 58 -5.847 0.616 -7.893 445 HB THR 58 HB THR 58 -8.240 0.560 -7.381 446 HG1 THR 58 HG1 THR 58 -7.205 -1.798 -8.613 447 HG21 THR 58 3HG2 THR 58 -8.729 -0.579 -10.207 448 HG22 THR 58 1HG2 THR 58 -9.873 -0.585 -8.847 449 HG23 THR 58 2HG2 THR 58 -9.365 0.953 -9.575 450 H GLN 59 H GLN 59 -4.892 -1.075 -8.688 451 HA GLN 59 HA GLN 59 -4.732 -1.671 -11.673 452 HB2 GLN 59 1HB GLN 59 -3.381 -2.863 -9.170 453 HB3 GLN 59 2HB GLN 59 -3.433 -3.747 -10.682 454 HG2 GLN 59 1HG GLN 59 -1.322 -2.670 -10.529 455 HG3 GLN 59 2HG GLN 59 -2.188 -2.041 -11.905 456 HE21 GLN 59 1HE2 GLN 59 -2.295 0.187 -12.038 457 HE22 GLN 59 2HE2 GLN 59 -1.798 1.296 -10.657 458 H ARG 60 H ARG 60 -5.863 -3.338 -12.519 459 HA ARG 60 HA ARG 60 -7.939 -4.808 -10.797 460 HE ARG 60 HE ARG 60 -7.839 -0.703 -12.669 461 HB2 ARG 60 1HB ARG 60 -9.696 -4.131 -12.247 462 HB3 ARG 60 2HB ARG 60 -8.852 -2.767 -11.556 463 HG2 ARG 60 1HG ARG 60 -7.555 -2.829 -14.021 464 HG3 ARG 60 2HG ARG 60 -8.987 -3.721 -14.456 465 HD2 ARG 60 1HD ARG 60 -9.446 -1.450 -15.012 466 HD3 ARG 60 2HD ARG 60 -10.424 -1.757 -13.558 467 HH11 ARG 60 2HH2 ARG 60 -10.607 0.458 -14.422 468 HH12 ARG 60 1HH2 ARG 60 -10.290 2.183 -13.904 469 HH21 ARG 60 2HH1 ARG 60 -7.516 1.202 -12.092 470 HH22 ARG 60 1HH1 ARG 60 -8.596 2.578 -12.649 471 H VAL 61 H VAL 61 -6.110 -6.425 -11.164 472 HA VAL 61 HA VAL 61 -6.687 -8.145 -13.539 473 HB VAL 61 HB VAL 61 -4.409 -7.816 -12.712 474 HG11 VAL 61 1HG1 VAL 61 -4.997 -9.721 -10.353 475 HG12 VAL 61 2HG1 VAL 61 -3.437 -9.042 -10.845 476 HG13 VAL 61 3HG1 VAL 61 -4.690 -7.980 -10.190 477 HG21 VAL 61 3HG2 VAL 61 -3.684 -10.154 -13.102 478 HG22 VAL 61 1HG2 VAL 61 -5.325 -10.764 -12.768 479 HG23 VAL 61 2HG2 VAL 61 -5.028 -9.710 -14.172 480 H ASP 62 H ASP 62 -6.985 -8.637 -10.035 481 HA ASP 62 HA ASP 62 -9.546 -10.241 -10.443 482 HB2 ASP 62 1HB ASP 62 -7.775 -10.913 -8.680 483 HB3 ASP 62 2HB ASP 62 -8.158 -9.442 -7.793 484 H ARG 63 H ARG 63 -11.012 -9.314 -8.465 485 HA ARG 63 HA ARG 63 -11.899 -6.477 -9.227 486 HE ARG 63 HE ARG 63 -13.456 -10.671 -11.372 487 HB2 ARG 63 1HB ARG 63 -13.515 -8.622 -7.720 488 HB3 ARG 63 2HB ARG 63 -14.020 -6.980 -8.002 489 HG2 ARG 63 1HG ARG 63 -14.937 -7.460 -9.952 490 HG3 ARG 63 2HG ARG 63 -13.429 -7.962 -10.657 491 HD2 ARG 63 1HD ARG 63 -15.174 -9.912 -8.956 492 HD3 ARG 63 2HD ARG 63 -15.494 -9.576 -10.631 493 HH11 ARG 63 2HH2 ARG 63 -13.639 -10.783 -7.889 494 HH12 ARG 63 1HH2 ARG 63 -12.046 -11.708 -7.839 495 HH21 ARG 63 2HH1 ARG 63 -11.751 -11.854 -11.197 496 HH22 ARG 63 1HH1 ARG 63 -11.116 -12.233 -9.510 497 H LEU 64 H LEU 64 -11.276 -8.626 -6.400 498 HA LEU 64 HA LEU 64 -10.352 -6.268 -4.800 499 HG LEU 64 HG LEU 64 -14.032 -7.435 -3.099 500 HB2 LEU 64 1HB LEU 64 -11.859 -6.375 -3.017 501 HB3 LEU 64 2HB LEU 64 -12.739 -6.167 -4.492 502 HD11 LEU 64 1HD1 LEU 64 -12.971 -9.566 -5.041 503 HD12 LEU 64 2HD1 LEU 64 -14.553 -9.533 -4.235 504 HD13 LEU 64 3HD1 LEU 64 -14.150 -8.286 -5.429 505 HD21 LEU 64 3HD2 LEU 64 -12.263 -8.286 -1.502 506 HD22 LEU 64 1HD2 LEU 64 -13.509 -9.482 -1.902 507 HD23 LEU 64 2HD2 LEU 64 -11.903 -9.605 -2.637 508 H ALA 65 H ALA 65 -10.125 -9.724 -5.235 509 HA ALA 65 HA ALA 65 -9.043 -10.174 -2.449 510 HB1 ALA 65 3HB ALA 65 -10.611 -11.805 -3.466 511 HB2 ALA 65 1HB ALA 65 -9.477 -12.128 -4.799 512 HB3 ALA 65 2HB ALA 65 -9.047 -12.566 -3.128 513 H ARG 66 H ARG 66 -7.725 -10.316 -5.743 514 HA ARG 66 HA ARG 66 -4.934 -9.867 -4.585 515 HE ARG 66 HE ARG 66 -4.112 -15.383 -3.761 516 HB2 ARG 66 1HB ARG 66 -5.624 -12.049 -6.659 517 HB3 ARG 66 2HB ARG 66 -4.013 -11.364 -6.523 518 HG2 ARG 66 1HG ARG 66 -3.790 -12.078 -4.153 519 HG3 ARG 66 2HG ARG 66 -5.428 -12.731 -4.144 520 HD2 ARG 66 1HD ARG 66 -4.888 -14.411 -5.864 521 HD3 ARG 66 2HD ARG 66 -3.313 -13.731 -6.185 522 HH11 ARG 66 2HH2 ARG 66 -1.573 -13.438 -5.153 523 HH12 ARG 66 1HH2 ARG 66 -0.278 -14.274 -4.119 524 HH21 ARG 66 2HH1 ARG 66 -2.621 -16.321 -2.652 525 HH22 ARG 66 1HH1 ARG 66 -0.847 -15.850 -2.873 526 H THR 67 H THR 67 -6.045 -7.768 -5.172 527 HA THR 67 HA THR 67 -4.600 -6.856 -7.625 528 HB THR 67 HB THR 67 -6.961 -7.501 -8.369 529 HG1 THR 67 HG1 THR 67 -6.428 -4.865 -9.049 530 HG21 THR 67 3HG2 THR 67 -8.342 -6.276 -6.645 531 HG22 THR 67 1HG2 THR 67 -7.746 -4.726 -7.270 532 HG23 THR 67 2HG2 THR 67 -8.706 -5.786 -8.312 533 H GLU 68 H GLU 68 -3.962 -4.695 -7.604 534 HA GLU 68 HA GLU 68 -3.811 -3.746 -4.752 535 HB2 GLU 68 1HB GLU 68 -1.793 -4.299 -6.260 536 HB3 GLU 68 2HB GLU 68 -2.056 -2.745 -7.057 537 HG2 GLU 68 1HG GLU 68 -1.903 -1.629 -4.722 538 HG3 GLU 68 2HG GLU 68 -1.629 -3.203 -4.015 539 H ILE 69 H ILE 69 -5.605 -2.615 -4.388 540 HA ILE 69 HA ILE 69 -6.421 -0.144 -5.815 541 HB ILE 69 HB ILE 69 -7.076 -1.168 -2.970 542 HG12 ILE 69 1HG1 ILE 69 -9.449 -1.385 -3.969 543 HG13 ILE 69 2HG1 ILE 69 -8.773 -1.135 -5.566 544 HG21 ILE 69 1HG2 ILE 69 -7.360 1.323 -2.958 545 HG22 ILE 69 2HG2 ILE 69 -8.363 1.243 -4.426 546 HG23 ILE 69 3HG2 ILE 69 -8.913 0.510 -2.893 547 HD11 ILE 69 3HD1 ILE 69 -9.247 -3.540 -4.960 548 HD12 ILE 69 1HD1 ILE 69 -7.553 -3.323 -5.390 549 HD13 ILE 69 2HD1 ILE 69 -8.018 -3.486 -3.680 550 H LYS 70 H LYS 70 -5.790 1.932 -5.468 551 HA LYS 70 HA LYS 70 -4.214 2.686 -3.006 552 HB2 LYS 70 1HB LYS 70 -3.163 3.289 -5.845 553 HB3 LYS 70 2HB LYS 70 -2.725 4.230 -4.437 554 HG2 LYS 70 1HG LYS 70 -1.040 2.838 -4.048 555 HG3 LYS 70 2HG LYS 70 -2.195 1.675 -3.466 556 HD2 LYS 70 1HD LYS 70 -1.128 0.357 -4.921 557 HD3 LYS 70 2HD LYS 70 -2.401 0.867 -6.006 558 HE2 LYS 70 1HE LYS 70 -0.831 2.574 -7.056 559 HE3 LYS 70 2HE LYS 70 0.391 2.234 -5.822 560 HZ1 LYS 70 3HZ LYS 70 0.300 -0.231 -6.586 561 HZ2 LYS 70 1HZ LYS 70 -0.556 0.250 -7.910 562 HZ3 LYS 70 2HZ LYS 70 0.992 0.833 -7.686 563 H ASN 71 H ASN 71 -6.216 3.516 -2.403 564 HA ASN 71 HA ASN 71 -6.606 6.384 -3.469 565 HB2 ASN 71 1HB ASN 71 -8.688 5.051 -3.003 566 HB3 ASN 71 2HB ASN 71 -8.231 4.858 -1.327 567 HD21 ASN 71 1HD2 ASN 71 -8.331 6.757 0.033 568 HD22 ASN 71 2HD2 ASN 71 -9.302 8.210 -0.544 569 H PHE 72 H PHE 72 -4.421 6.777 -2.919 570 HA PHE 72 HA PHE 72 -3.682 6.778 0.064 571 HD1 PHE 72 HD2 PHE 72 -1.777 5.064 0.925 572 HD2 PHE 72 HD1 PHE 72 0.089 8.040 -1.550 573 HE1 PHE 72 HE2 PHE 72 0.142 5.151 2.471 574 HE2 PHE 72 HE1 PHE 72 2.033 8.076 -0.023 575 HZ PHE 72 HZ PHE 72 2.066 6.626 1.978 576 HB2 PHE 72 1HB PHE 72 -2.358 5.371 -1.600 577 HB3 PHE 72 2HB PHE 72 -1.849 6.835 -2.416 578 H THR 73 H THR 73 -4.526 8.684 0.744 579 HA THR 73 HA THR 73 -4.163 11.207 -0.930 580 HB THR 73 HB THR 73 -5.824 10.755 1.594 581 HG1 THR 73 HG1 THR 73 -6.267 9.779 -0.580 582 HG21 THR 73 3HG2 THR 73 -6.952 12.876 0.994 583 HG22 THR 73 1HG2 THR 73 -5.232 13.212 1.299 584 HG23 THR 73 2HG2 THR 73 -5.844 13.138 -0.362 585 H VAL 74 H VAL 74 -2.069 11.642 -0.745 586 HA VAL 74 HA VAL 74 -0.858 11.977 2.035 587 HB VAL 74 HB VAL 74 0.032 10.061 0.996 588 HG11 VAL 74 1HG1 VAL 74 1.540 10.142 -1.019 589 HG12 VAL 74 2HG1 VAL 74 -0.136 10.535 -1.446 590 HG13 VAL 74 3HG1 VAL 74 1.070 11.829 -1.296 591 HG21 VAL 74 3HG2 VAL 74 1.601 11.539 2.430 592 HG22 VAL 74 1HG2 VAL 74 2.446 10.485 1.280 593 HG23 VAL 74 2HG2 VAL 74 2.247 12.217 0.923 594 H PHE 75 H PHE 75 -0.020 13.698 2.631 595 HA PHE 75 HA PHE 75 -0.454 16.169 0.924 596 HD1 PHE 75 HD2 PHE 75 -2.369 18.078 2.094 597 HD2 PHE 75 HD1 PHE 75 -2.203 14.190 3.944 598 HE1 PHE 75 HE2 PHE 75 -4.821 17.898 1.958 599 HE2 PHE 75 HE1 PHE 75 -4.651 14.039 3.835 600 HZ PHE 75 HZ PHE 75 -5.973 15.883 2.834 601 HB2 PHE 75 1HB PHE 75 -0.172 15.697 3.965 602 HB3 PHE 75 2HB PHE 75 -0.263 17.294 3.276 603 H PHE 76 H PHE 76 1.162 17.259 0.077 604 HA PHE 76 HA PHE 76 4.014 16.923 1.150 605 HD1 PHE 76 HD1 PHE 76 5.326 14.986 0.192 606 HD2 PHE 76 HD2 PHE 76 2.294 15.514 -2.808 607 HE1 PHE 76 HE1 PHE 76 5.222 12.528 -0.184 608 HE2 PHE 76 HE2 PHE 76 2.324 13.118 -3.266 609 HZ PHE 76 HZ PHE 76 3.763 11.601 -1.907 610 HB2 PHE 76 1HB PHE 76 3.188 17.465 -1.777 611 HB3 PHE 76 2HB PHE 76 4.821 17.315 -1.183 612 H GLU 77 H GLU 77 5.287 18.698 1.363 613 HA GLU 77 HA GLU 77 3.894 21.350 1.433 614 HB2 GLU 77 1HB GLU 77 5.259 20.394 3.262 615 HB3 GLU 77 2HB GLU 77 6.728 20.644 2.343 616 HG2 GLU 77 1HG GLU 77 6.673 23.011 2.625 617 HG3 GLU 77 2HG GLU 77 4.918 23.097 2.691 618 H ASN 78 H ASN 78 6.990 20.490 0.119 619 HA ASN 78 HA ASN 78 6.142 21.240 -2.600 620 HB2 ASN 78 1HB ASN 78 7.148 23.417 -1.924 621 HB3 ASN 78 2HB ASN 78 8.665 22.637 -1.495 622 HD21 ASN 78 1HD2 ASN 78 9.548 24.208 -3.005 623 HD22 ASN 78 2HD2 ASN 78 9.495 23.808 -4.801 624 H GLU 79 H GLU 79 9.237 20.410 -0.948 625 HA GLU 79 HA GLU 79 9.243 17.725 -2.412 626 HB2 GLU 79 1HB GLU 79 11.344 19.145 -0.672 627 HB3 GLU 79 2HB GLU 79 11.419 17.422 -0.918 628 HG2 GLU 79 1HG GLU 79 11.470 19.446 -3.234 629 HG3 GLU 79 2HG GLU 79 12.862 18.668 -2.499 630 H GLN 80 H GLN 80 8.815 18.972 0.953 631 HA GLN 80 HA GLN 80 9.409 16.241 1.949 632 HB2 GLN 80 1HB GLN 80 9.435 17.052 4.162 633 HB3 GLN 80 2HB GLN 80 10.423 18.034 3.111 634 HG2 GLN 80 1HG GLN 80 8.715 19.875 3.147 635 HG3 GLN 80 2HG GLN 80 7.609 18.880 4.100 636 HE21 GLN 80 1HE2 GLN 80 8.148 21.276 5.173 637 HE22 GLN 80 2HE2 GLN 80 9.381 21.035 6.519 638 H VAL 81 H VAL 81 8.202 14.817 2.977 639 HA VAL 81 HA VAL 81 5.275 14.869 2.399 640 HB VAL 81 HB VAL 81 6.598 12.596 3.979 641 HG11 VAL 81 1HG1 VAL 81 4.153 12.498 3.743 642 HG12 VAL 81 2HG1 VAL 81 4.253 12.737 1.989 643 HG13 VAL 81 3HG1 VAL 81 4.871 11.238 2.721 644 HG21 VAL 81 3HG2 VAL 81 7.034 11.391 1.769 645 HG22 VAL 81 1HG2 VAL 81 6.952 12.978 0.944 646 HG23 VAL 81 2HG2 VAL 81 8.166 12.674 2.167 647 H VAL 82 H VAL 82 3.713 15.421 3.760 648 HA VAL 82 HA VAL 82 4.319 15.983 6.683 649 HB VAL 82 HB VAL 82 1.803 16.560 4.995 650 HG11 VAL 82 1HG1 VAL 82 2.438 17.514 7.872 651 HG12 VAL 82 2HG1 VAL 82 1.017 17.945 6.883 652 HG13 VAL 82 3HG1 VAL 82 1.221 16.302 7.452 653 HG21 VAL 82 3HG2 VAL 82 3.716 18.015 4.290 654 HG22 VAL 82 1HG2 VAL 82 2.525 18.967 5.184 655 HG23 VAL 82 2HG2 VAL 82 4.038 18.471 5.979 656 H ARG 83 H ARG 83 1.520 14.359 5.161 657 HA ARG 83 HA ARG 83 2.179 11.785 6.220 658 HE ARG 83 HE ARG 83 -2.853 11.422 7.532 659 HB2 ARG 83 1HB ARG 83 0.808 11.220 7.960 660 HB3 ARG 83 2HB ARG 83 1.575 12.684 8.461 661 HG2 ARG 83 1HG ARG 83 -0.369 13.907 8.605 662 HG3 ARG 83 2HG ARG 83 -1.147 13.187 7.220 663 HD2 ARG 83 1HD ARG 83 -0.704 11.512 9.795 664 HD3 ARG 83 2HD ARG 83 -2.034 12.633 9.672 665 HH11 ARG 83 2HH2 ARG 83 -0.771 9.474 9.605 666 HH12 ARG 83 1HH2 ARG 83 -2.012 8.109 9.497 667 HH21 ARG 83 2HH1 ARG 83 -4.248 9.925 7.750 668 HH22 ARG 83 1HH1 ARG 83 -3.747 8.334 8.611 669 H TRP 84 H TRP 84 0.231 10.277 6.257 670 HA TRP 84 HA TRP 84 -0.996 10.494 3.472 671 HD1 TRP 84 HD1 TRP 84 0.036 6.256 5.237 672 HE1 TRP 84 HE1 TRP 84 2.140 5.524 6.651 673 HE3 TRP 84 HE3 TRP 84 3.071 10.225 4.056 674 HZ2 TRP 84 HZ2 TRP 84 4.596 6.737 7.313 675 HZ3 TRP 84 HZ3 TRP 84 5.323 10.353 5.100 676 HH2 TRP 84 HH2 TRP 84 6.064 8.661 6.696 677 HB2 TRP 84 1HB TRP 84 -0.235 8.134 3.084 678 HB3 TRP 84 2HB TRP 84 0.975 9.388 3.037 679 H GLU 85 H GLU 85 -3.051 10.190 3.485 680 HA GLU 85 HA GLU 85 -4.391 8.371 5.515 681 HB2 GLU 85 1HB GLU 85 -6.079 9.765 3.455 682 HB3 GLU 85 2HB GLU 85 -6.419 9.284 5.085 683 HG2 GLU 85 1HG GLU 85 -4.789 11.718 4.161 684 HG3 GLU 85 2HG GLU 85 -6.407 11.713 4.837 685 H GLY 86 H GLY 86 -3.681 6.411 4.804 686 HA2 GLY 86 1HA GLY 86 -3.786 5.605 1.918 687 HA3 GLY 86 2HA GLY 86 -2.979 4.760 3.199 688 H ASP 87 H ASP 87 -6.043 5.206 1.606 689 HA ASP 87 HA ASP 87 -7.027 2.495 2.675 690 HB2 ASP 87 1HB ASP 87 -8.535 4.747 1.223 691 HB3 ASP 87 2HB ASP 87 -9.168 3.108 1.335 692 H TYR 88 H TYR 88 -5.578 1.366 1.741 693 HA TYR 88 HA TYR 88 -5.330 1.163 -1.294 694 HD1 TYR 88 HD2 TYR 88 -3.969 0.404 2.344 695 HD2 TYR 88 HD1 TYR 88 -1.128 2.766 0.112 696 HE1 TYR 88 HE2 TYR 88 -2.577 0.562 4.292 697 HE2 TYR 88 HE1 TYR 88 0.338 2.807 2.073 698 HH TYR 88 HH TYR 88 0.342 1.007 4.471 699 HB2 TYR 88 1HB TYR 88 -2.962 1.387 -1.089 700 HB3 TYR 88 2HB TYR 88 -3.790 2.763 -0.398 701 H PHE 89 H PHE 89 -6.686 -0.843 -0.610 702 HA PHE 89 HA PHE 89 -6.882 -3.201 -0.477 703 HD1 PHE 89 HD2 PHE 89 -7.142 -5.374 -1.885 704 HD2 PHE 89 HD1 PHE 89 -2.854 -4.893 -1.939 705 HE1 PHE 89 HE2 PHE 89 -6.859 -7.800 -2.168 706 HE2 PHE 89 HE1 PHE 89 -2.597 -7.315 -2.250 707 HZ PHE 89 HZ PHE 89 -4.592 -8.780 -2.344 708 HB2 PHE 89 1HB PHE 89 -5.760 -3.056 -2.565 709 HB3 PHE 89 2HB PHE 89 -4.173 -2.944 -1.851 710 HA PRO 90 HA PRO 90 -4.565 -3.903 3.519 711 HB2 PRO 90 1HB PRO 90 -6.655 -4.135 5.285 712 HB3 PRO 90 2HB PRO 90 -6.139 -2.579 4.610 713 HG2 PRO 90 1HG PRO 90 -8.441 -4.362 3.583 714 HG3 PRO 90 2HG PRO 90 -8.538 -2.636 4.028 715 HD2 PRO 90 1HD PRO 90 -8.141 -3.474 1.392 716 HD3 PRO 90 2HD PRO 90 -7.408 -1.958 1.995 717 H SER 91 H SER 91 -4.479 -5.675 1.721 718 HA SER 91 HA SER 91 -4.427 -8.256 3.257 719 HG SER 91 HG SER 91 -5.094 -10.131 1.177 720 HB2 SER 91 1HB SER 91 -6.817 -8.141 2.274 721 HB3 SER 91 2HB SER 91 -6.117 -8.145 0.657 722 H GLN 92 H GLN 92 -2.372 -6.839 2.320 723 HA GLN 92 HA GLN 92 -1.323 -8.090 -0.249 724 HB2 GLN 92 1HB GLN 92 -1.330 -5.587 0.276 725 HB3 GLN 92 2HB GLN 92 -0.152 -5.879 1.541 726 HG2 GLN 92 1HG GLN 92 1.370 -5.382 -0.065 727 HG3 GLN 92 2HG GLN 92 1.251 -7.052 -0.489 728 HE21 GLN 92 1HE2 GLN 92 0.480 -3.858 -1.390 729 HE22 GLN 92 2HE2 GLN 92 0.300 -4.260 -3.183 730 H ASP 93 H ASP 93 -1.107 -10.213 0.654 731 HA ASP 93 HA ASP 93 1.448 -10.748 2.173 732 HB2 ASP 93 1HB ASP 93 -1.349 -11.116 3.382 733 HB3 ASP 93 2HB ASP 93 -0.101 -12.268 3.795 734 H GLU 94 H GLU 94 1.879 -11.896 0.060 735 HA GLU 94 HA GLU 94 0.980 -14.586 -0.209 736 HB2 GLU 94 1HB GLU 94 2.748 -13.086 -1.619 737 HB3 GLU 94 2HB GLU 94 3.943 -13.937 -0.692 738 HG2 GLU 94 1HG GLU 94 3.611 -15.103 -2.788 739 HG3 GLU 94 2HG GLU 94 2.928 -16.158 -1.556 740 H GLN 95 H GLN 95 0.636 -14.983 2.029 741 HA GLN 95 HA GLN 95 2.528 -16.530 3.688 742 HB2 GLN 95 1HB GLN 95 3.343 -14.018 3.655 743 HB3 GLN 95 2HB GLN 95 1.863 -13.582 4.458 744 HG2 GLN 95 1HG GLN 95 2.517 -14.851 6.493 745 HG3 GLN 95 2HG GLN 95 3.788 -15.708 5.635 746 HE21 GLN 95 1HE2 GLN 95 3.047 -12.724 7.235 747 HE22 GLN 95 2HE2 GLN 95 4.722 -12.016 6.983 748 H LEU 96 H LEU 96 1.297 -17.498 5.109 749 HA LEU 96 HA LEU 96 -1.538 -17.088 5.678 750 HG LEU 96 HG LEU 96 -2.470 -19.134 6.688 751 HB2 LEU 96 1HB LEU 96 -0.019 -19.152 6.113 752 HB3 LEU 96 2HB LEU 96 0.394 -18.437 7.661 753 HD11 LEU 96 1HD1 LEU 96 -0.576 -20.705 8.570 754 HD12 LEU 96 2HD1 LEU 96 -2.253 -21.143 8.171 755 HD13 LEU 96 3HD1 LEU 96 -1.015 -21.166 6.908 756 HD21 LEU 96 3HD2 LEU 96 -3.085 -19.030 9.146 757 HD22 LEU 96 1HD2 LEU 96 -1.471 -18.387 9.530 758 HD23 LEU 96 2HD2 LEU 96 -2.602 -17.446 8.538 759 H ALA 97 H ALA 97 -1.360 -14.822 5.785 760 HA ALA 97 HA ALA 97 -1.596 -13.504 8.468 761 HB1 ALA 97 3HB ALA 97 0.677 -12.879 6.436 762 HB2 ALA 97 1HB ALA 97 0.320 -11.885 7.868 763 HB3 ALA 97 2HB ALA 97 0.904 -13.548 8.076 764 H LYS 98 H LYS 98 -2.108 -11.157 8.159 765 HA LYS 98 HA LYS 98 -2.970 -10.293 5.411 766 HB2 LYS 98 1HB LYS 98 -4.927 -11.634 6.508 767 HB3 LYS 98 2HB LYS 98 -5.088 -10.321 7.669 768 HG2 LYS 98 1HG LYS 98 -5.478 -8.714 5.654 769 HG3 LYS 98 2HG LYS 98 -5.331 -10.116 4.585 770 HD2 LYS 98 1HD LYS 98 -7.289 -11.217 5.952 771 HD3 LYS 98 2HD LYS 98 -7.421 -9.702 6.823 772 HE2 LYS 98 1HE LYS 98 -9.111 -9.549 5.186 773 HE3 LYS 98 2HE LYS 98 -7.845 -8.480 4.580 774 HZ1 LYS 98 3HZ LYS 98 -8.076 -11.369 3.680 775 HZ2 LYS 98 1HZ LYS 98 -8.795 -10.140 2.852 776 HZ3 LYS 98 2HZ LYS 98 -7.161 -10.207 2.962 777 H ALA 99 H ALA 99 -2.059 -8.326 5.317 778 HA ALA 99 HA ALA 99 -1.591 -6.446 7.335 779 HB1 ALA 99 3HB ALA 99 -2.253 -5.818 4.385 780 HB2 ALA 99 1HB ALA 99 -1.279 -4.821 5.485 781 HB3 ALA 99 2HB ALA 99 -0.696 -6.428 5.000 782 H ALA 100 H ALA 100 -3.569 -6.752 8.561 783 HA ALA 100 HA ALA 100 -6.125 -5.818 7.892 784 HB1 ALA 100 3HB ALA 100 -6.575 -6.117 10.385 785 HB2 ALA 100 1HB ALA 100 -5.551 -7.404 9.733 786 HB3 ALA 100 2HB ALA 100 -4.832 -6.089 10.697 787 HA PRO 101 HA PRO 101 -6.283 -1.369 8.297 788 HB2 PRO 101 1HB PRO 101 -8.933 -0.826 8.873 789 HB3 PRO 101 2HB PRO 101 -8.354 -1.537 7.356 790 HG2 PRO 101 1HG PRO 101 -9.436 -3.045 9.822 791 HG3 PRO 101 2HG PRO 101 -10.016 -3.187 8.139 792 HD2 PRO 101 1HD PRO 101 -8.186 -4.986 9.123 793 HD3 PRO 101 2HD PRO 101 -7.999 -4.374 7.450 794 H LYS 102 H LYS 102 -4.835 -1.751 10.205 795 HA LYS 102 HA LYS 102 -5.732 -0.560 12.800 796 HB2 LYS 102 1HB LYS 102 -3.335 -0.412 13.374 797 HB3 LYS 102 2HB LYS 102 -3.911 -2.014 12.980 798 HG2 LYS 102 1HG LYS 102 -2.697 -2.196 10.975 799 HG3 LYS 102 2HG LYS 102 -2.567 -0.475 10.702 800 HD2 LYS 102 1HD LYS 102 -1.136 -1.798 13.098 801 HD3 LYS 102 2HD LYS 102 -0.464 -1.855 11.473 802 HE2 LYS 102 1HE LYS 102 -0.481 0.643 11.277 803 HE3 LYS 102 2HE LYS 102 -1.216 0.817 12.869 804 HZ1 LYS 102 3HZ LYS 102 1.383 -0.700 12.526 805 HZ2 LYS 102 1HZ LYS 102 1.401 0.970 12.663 806 HZ3 LYS 102 2HZ LYS 102 0.820 0.008 13.909 807 H GLN 103 H GLN 103 -6.858 1.160 11.853 808 HA GLN 103 HA GLN 103 -5.247 3.457 10.679 809 HB2 GLN 103 1HB GLN 103 -7.103 3.945 9.329 810 HB3 GLN 103 2HB GLN 103 -6.574 2.279 9.169 811 HG2 GLN 103 1HG GLN 103 -8.602 1.485 10.443 812 HG3 GLN 103 2HG GLN 103 -9.139 3.136 10.682 813 HE21 GLN 103 1HE2 GLN 103 -10.182 4.152 8.929 814 HE22 GLN 103 2HE2 GLN 103 -10.430 3.284 7.321 815 H PHE 104 H PHE 104 -4.768 4.297 12.776 816 HA PHE 104 HA PHE 104 -6.399 6.739 12.875 817 HD1 PHE 104 HD1 PHE 104 -8.986 7.181 13.993 818 HD2 PHE 104 HD2 PHE 104 -5.723 7.709 16.752 819 HE1 PHE 104 HE1 PHE 104 -9.936 9.341 14.712 820 HE2 PHE 104 HE2 PHE 104 -6.681 9.865 17.463 821 HZ PHE 104 HZ PHE 104 -8.783 10.691 16.442 822 HB2 PHE 104 1HB PHE 104 -7.522 5.239 14.662 823 HB3 PHE 104 2HB PHE 104 -6.098 5.467 15.653 824 H GLY 105 H GLY 105 -4.260 7.058 11.800 825 HA2 GLY 105 1HA GLY 105 -1.999 7.836 13.685 826 HA3 GLY 105 2HA GLY 105 -1.994 7.942 11.946 827 H ARG 106 H ARG 106 -3.242 9.488 14.836 828 HA ARG 106 HA ARG 106 -4.108 11.959 13.372 829 HE ARG 106 HE ARG 106 -5.520 15.494 17.722 830 HB2 ARG 106 1HB ARG 106 -5.379 11.076 15.220 831 HB3 ARG 106 2HB ARG 106 -4.052 11.219 16.349 832 HG2 ARG 106 1HG ARG 106 -4.749 13.850 15.012 833 HG3 ARG 106 2HG ARG 106 -6.125 13.123 15.808 834 HD2 ARG 106 1HD ARG 106 -5.105 13.107 17.979 835 HD3 ARG 106 2HD ARG 106 -3.479 13.287 17.386 836 HH11 ARG 106 2HH2 ARG 106 -2.391 14.690 16.345 837 HH12 ARG 106 1HH2 ARG 106 -1.911 16.471 16.384 838 HH21 ARG 106 2HH1 ARG 106 -4.847 17.484 17.733 839 HH22 ARG 106 1HH1 ARG 106 -3.193 17.892 17.075 840 H ASN 107 H ASN 107 -1.990 12.153 12.400 841 HA ASN 107 HA ASN 107 -0.073 13.949 13.931 842 HB2 ASN 107 1HB ASN 107 0.655 12.319 12.029 843 HB3 ASN 107 2HB ASN 107 0.018 13.492 10.893 844 HD21 ASN 107 1HD2 ASN 107 1.178 15.669 10.807 845 HD22 ASN 107 2HD2 ASN 107 2.879 15.622 11.467 846 H LEU 108 H LEU 108 -0.809 15.779 14.337 847 HA LEU 108 HA LEU 108 -1.494 17.789 12.342 848 HG LEU 108 HG LEU 108 -5.123 18.631 12.761 849 HB2 LEU 108 1HB LEU 108 -3.760 16.811 12.604 850 HB3 LEU 108 2HB LEU 108 -3.788 17.172 14.306 851 HD11 LEU 108 1HD1 LEU 108 -4.734 20.753 13.912 852 HD12 LEU 108 2HD1 LEU 108 -4.548 19.429 15.074 853 HD13 LEU 108 3HD1 LEU 108 -3.114 20.266 14.437 854 HD21 LEU 108 3HD2 LEU 108 -4.115 20.421 11.437 855 HD22 LEU 108 1HD2 LEU 108 -2.469 19.957 11.910 856 HD23 LEU 108 2HD2 LEU 108 -3.445 18.880 10.888 857 H ALA 109 H ALA 109 0.318 18.647 13.089 858 HA ALA 109 HA ALA 109 0.304 20.143 15.762 859 HB1 ALA 109 3HB ALA 109 2.630 19.131 16.221 860 HB2 ALA 109 1HB ALA 109 1.320 17.930 16.240 861 HB3 ALA 109 2HB ALA 109 2.381 18.050 14.818 862 H ARG 110 H ARG 110 2.448 19.492 12.974 863 HA ARG 110 HA ARG 110 2.406 22.425 12.292 864 HE ARG 110 HE ARG 110 4.966 21.096 9.871 865 HB2 ARG 110 1HB ARG 110 4.519 22.090 13.621 866 HB3 ARG 110 2HB ARG 110 5.102 20.913 12.467 867 HG2 ARG 110 1HG ARG 110 4.289 23.594 11.240 868 HG3 ARG 110 2HG ARG 110 5.499 23.718 12.486 869 HD2 ARG 110 1HD ARG 110 6.628 23.623 10.384 870 HD3 ARG 110 2HD ARG 110 7.029 22.142 11.259 871 HH11 ARG 110 2HH2 ARG 110 7.208 23.390 8.438 872 HH12 ARG 110 1HH2 ARG 110 6.603 22.919 6.748 873 HH21 ARG 110 2HH1 ARG 110 4.306 20.744 8.025 874 HH22 ARG 110 1HH1 ARG 110 4.921 21.721 6.569 875 H ASP 111 H ASP 111 0.902 21.602 10.856 876 HA ASP 111 HA ASP 111 1.849 19.697 8.685 877 HB2 ASP 111 1HB ASP 111 -0.829 19.895 10.194 878 HB3 ASP 111 2HB ASP 111 -0.625 18.969 8.732 879 H LYS 112 H LYS 112 0.918 19.765 6.774 880 HA LYS 112 HA LYS 112 -0.637 22.215 5.830 881 HB2 LYS 112 1HB LYS 112 1.761 22.025 4.890 882 HB3 LYS 112 2HB LYS 112 1.268 20.546 4.068 883 HG2 LYS 112 1HG LYS 112 -0.495 21.883 2.779 884 HG3 LYS 112 2HG LYS 112 0.009 23.346 3.648 885 HD2 LYS 112 1HD LYS 112 2.412 22.938 2.815 886 HD3 LYS 112 2HD LYS 112 1.802 21.569 1.868 887 HE2 LYS 112 1HE LYS 112 0.408 23.035 0.449 888 HE3 LYS 112 2HE LYS 112 0.713 24.440 1.472 889 HZ1 LYS 112 3HZ LYS 112 3.124 24.302 0.905 890 HZ2 LYS 112 1HZ LYS 112 2.934 22.981 -0.026 891 HZ3 LYS 112 2HZ LYS 112 2.288 24.416 -0.491 892 H LYS 113 H LYS 113 -1.990 20.640 6.982 893 HA LYS 113 HA LYS 113 -3.711 18.860 5.244 894 HB2 LYS 113 1HB LYS 113 -1.782 17.454 5.606 895 HB3 LYS 113 2HB LYS 113 -1.659 17.802 7.298 896 HG2 LYS 113 1HG LYS 113 -4.155 16.342 6.232 897 HG3 LYS 113 2HG LYS 113 -2.612 15.515 6.368 898 HD2 LYS 113 1HD LYS 113 -2.419 16.165 8.805 899 HD3 LYS 113 2HD LYS 113 -4.011 16.926 8.735 900 HE2 LYS 113 1HE LYS 113 -5.063 14.696 8.070 901 HE3 LYS 113 2HE LYS 113 -3.479 13.940 8.062 902 HZ1 LYS 113 3HZ LYS 113 -4.536 13.598 10.264 903 HZ2 LYS 113 1HZ LYS 113 -3.231 14.650 10.495 904 HZ3 LYS 113 2HZ LYS 113 -4.747 15.225 10.474 905 H LYS 114 H LYS 114 -5.742 18.947 6.071 906 HA LYS 114 HA LYS 114 -6.220 20.793 8.272 907 HB2 LYS 114 1HB LYS 114 -7.515 20.657 6.161 908 HB3 LYS 114 2HB LYS 114 -8.279 19.157 6.682 909 HG2 LYS 114 1HG LYS 114 -9.284 20.400 8.683 910 HG3 LYS 114 2HG LYS 114 -8.478 21.880 8.150 911 HD2 LYS 114 1HD LYS 114 -9.762 21.733 5.918 912 HD3 LYS 114 2HD LYS 114 -10.521 20.258 6.483 913 HE2 LYS 114 1HE LYS 114 -12.162 21.922 6.830 914 HE3 LYS 114 2HE LYS 114 -11.571 21.530 8.442 915 HZ1 LYS 114 3HZ LYS 114 -11.689 24.007 8.096 916 HZ2 LYS 114 1HZ LYS 114 -10.115 23.583 8.313 917 HZ3 LYS 114 2HZ LYS 114 -10.667 23.924 6.811 918 H GLN 115 H GLN 115 -7.885 17.575 8.287 919 HA GLN 115 HA GLN 115 -6.657 16.810 10.746 920 HB2 GLN 115 1HB GLN 115 -8.153 18.534 11.805 921 HB3 GLN 115 2HB GLN 115 -9.574 17.706 11.193 922 HG2 GLN 115 1HG GLN 115 -9.236 17.173 13.554 923 HG3 GLN 115 2HG GLN 115 -9.111 15.716 12.609 924 HE21 GLN 115 1HE2 GLN 115 -7.499 17.662 14.885 925 HE22 GLN 115 2HE2 GLN 115 -5.934 16.692 14.861 926 H ARG 116 H ARG 116 -6.911 14.767 10.992 927 HA ARG 116 HA ARG 116 -8.912 12.969 10.283 928 HE ARG 116 HE ARG 116 -9.018 9.879 9.929 929 HB2 ARG 116 1HB ARG 116 -8.497 13.587 7.854 930 HB3 ARG 116 2HB ARG 116 -6.862 12.979 7.973 931 HG2 ARG 116 1HG ARG 116 -8.231 11.420 6.823 932 HG3 ARG 116 2HG ARG 116 -7.639 10.667 8.259 933 HD2 ARG 116 1HD ARG 116 -10.447 11.957 8.356 934 HD3 ARG 116 2HD ARG 116 -10.213 10.498 7.376 935 HH11 ARG 116 2HH2 ARG 116 -12.203 10.481 8.680 936 HH12 ARG 116 1HH2 ARG 116 -12.948 9.280 9.841 937 HH21 ARG 116 2HH1 ARG 116 -9.855 8.538 11.194 938 HH22 ARG 116 1HH1 ARG 116 -11.662 8.243 11.208 939 H GLY 117 H GLY 117 -8.384 11.623 11.868 940 HA2 GLY 117 1HA GLY 117 -5.640 10.410 12.217 941 HA3 GLY 117 2HA GLY 117 -7.044 10.094 13.212 942 H ARG 118 H ARG 118 -5.359 9.153 10.391 943 HA ARG 118 HA ARG 118 -7.002 6.598 10.202 944 HE ARG 118 HE ARG 118 -8.005 4.843 5.086 945 HB2 ARG 118 1HB ARG 118 -7.970 8.380 8.682 946 HB3 ARG 118 2HB ARG 118 -6.485 8.444 7.761 947 HG2 ARG 118 1HG ARG 118 -7.951 5.766 8.165 948 HG3 ARG 118 2HG ARG 118 -8.683 6.958 7.114 949 HD2 ARG 118 1HD ARG 118 -6.920 6.957 5.526 950 HD3 ARG 118 2HD ARG 118 -5.743 6.224 6.587 951 HH11 ARG 118 2HH2 ARG 118 -5.420 4.397 7.512 952 HH12 ARG 118 1HH2 ARG 118 -5.307 2.617 6.994 953 HH21 ARG 118 2HH1 ARG 118 -8.011 2.804 4.928 954 HH22 ARG 118 1HH1 ARG 118 -6.712 1.772 5.760 Start of MODEL 5 1 HA MET 1 HA MET 1 8.780 19.449 -8.772 2 H1 MET 1 1H MET 1 7.825 19.216 -5.943 3 H2 MET 1 2H MET 1 7.340 20.290 -7.107 4 H3 MET 1 3H MET 1 6.998 18.671 -7.275 5 HB2 MET 1 1HB MET 1 10.906 20.225 -7.933 6 HB3 MET 1 2HB MET 1 9.588 21.263 -7.472 7 HG2 MET 1 1HG MET 1 9.697 20.337 -5.087 8 HG3 MET 1 2HG MET 1 11.065 19.314 -5.580 9 HE1 MET 1 3HE MET 1 12.529 20.603 -3.629 10 HE2 MET 1 1HE MET 1 12.654 22.381 -3.553 11 HE3 MET 1 2HE MET 1 11.082 21.591 -3.256 12 H ALA 2 H ALA 2 10.579 18.191 -9.409 13 HA ALA 2 HA ALA 2 10.503 15.332 -8.363 14 HB1 ALA 2 3HB ALA 2 11.414 16.490 -11.094 15 HB2 ALA 2 1HB ALA 2 11.464 14.777 -10.632 16 HB3 ALA 2 2HB ALA 2 9.907 15.597 -10.763 17 H GLY 3 H GLY 3 12.406 14.326 -7.960 18 HA2 GLY 3 1HA GLY 3 14.803 14.124 -7.317 19 HA3 GLY 3 2HA GLY 3 15.061 15.803 -7.754 20 H SER 4 H SER 4 13.564 13.735 -5.341 21 HA SER 4 HA SER 4 12.833 16.136 -3.698 22 HG SER 4 HG SER 4 11.246 15.491 -2.003 23 HB2 SER 4 1HB SER 4 11.289 14.271 -4.622 24 HB3 SER 4 2HB SER 4 11.841 13.272 -3.272 25 H GLY 5 H GLY 5 14.807 16.577 -2.764 26 HA2 GLY 5 1HA GLY 5 15.577 17.133 -0.595 27 HA3 GLY 5 2HA GLY 5 14.395 16.028 0.032 28 H ILE 6 H ILE 6 15.051 13.964 0.410 29 HA ILE 6 HA ILE 6 18.009 13.695 1.165 30 HB ILE 6 HB ILE 6 16.689 13.745 3.091 31 HG12 ILE 6 1HG1 ILE 6 17.901 10.923 2.767 32 HG13 ILE 6 2HG1 ILE 6 18.862 12.389 2.878 33 HG21 ILE 6 1HG2 ILE 6 15.104 12.014 3.819 34 HG22 ILE 6 2HG2 ILE 6 14.589 12.687 2.265 35 HG23 ILE 6 3HG2 ILE 6 15.326 11.076 2.320 36 HD11 ILE 6 3HD1 ILE 6 16.976 11.377 5.104 37 HD12 ILE 6 1HD1 ILE 6 18.749 11.349 5.092 38 HD13 ILE 6 2HD1 ILE 6 17.891 12.902 5.161 39 H ILE 7 H ILE 7 18.485 13.185 -0.985 40 HA ILE 7 HA ILE 7 17.400 10.750 -2.233 41 HB ILE 7 HB ILE 7 17.798 12.762 -3.476 42 HG12 ILE 7 1HG1 ILE 7 18.798 11.791 -5.538 43 HG13 ILE 7 2HG1 ILE 7 19.406 10.405 -4.647 44 HG21 ILE 7 1HG2 ILE 7 20.007 13.563 -2.564 45 HG22 ILE 7 2HG2 ILE 7 20.843 12.217 -3.362 46 HG23 ILE 7 3HG2 ILE 7 20.012 13.457 -4.329 47 HD11 ILE 7 3HD1 ILE 7 17.267 9.925 -5.892 48 HD12 ILE 7 1HD1 ILE 7 17.038 9.663 -4.154 49 HD13 ILE 7 2HD1 ILE 7 16.400 11.139 -4.924 50 H TYR 8 H TYR 8 18.000 9.524 -0.398 51 HA TYR 8 HA TYR 8 20.048 7.509 -1.264 52 HD1 TYR 8 HD1 TYR 8 22.556 6.839 -0.801 53 HD2 TYR 8 HD2 TYR 8 20.783 7.141 3.117 54 HE1 TYR 8 HE1 TYR 8 23.838 4.873 -0.057 55 HE2 TYR 8 HE2 TYR 8 22.096 5.188 3.848 56 HH TYR 8 HH TYR 8 23.551 3.086 1.672 57 HB2 TYR 8 1HB TYR 8 21.407 9.077 0.168 58 HB3 TYR 8 2HB TYR 8 20.298 8.876 1.505 59 H LYS 9 H LYS 9 18.899 5.647 -1.174 60 HA LYS 9 HA LYS 9 16.959 5.126 1.091 61 HB2 LYS 9 1HB LYS 9 15.862 6.281 -1.149 62 HB3 LYS 9 2HB LYS 9 15.971 4.678 -1.783 63 HG2 LYS 9 1HG LYS 9 13.963 4.307 -0.849 64 HG3 LYS 9 2HG LYS 9 14.756 4.091 0.683 65 HD2 LYS 9 1HD LYS 9 13.456 6.668 -0.429 66 HD3 LYS 9 2HD LYS 9 12.775 5.565 0.728 67 HE2 LYS 9 1HE LYS 9 13.386 7.298 2.097 68 HE3 LYS 9 2HE LYS 9 14.728 6.194 2.368 69 HZ1 LYS 9 3HZ LYS 9 15.152 8.786 1.716 70 HZ2 LYS 9 1HZ LYS 9 16.210 7.646 1.189 71 HZ3 LYS 9 2HZ LYS 9 15.063 8.223 0.169 72 H GLN 10 H GLN 10 17.281 3.115 1.770 73 HA GLN 10 HA GLN 10 18.732 1.128 -0.060 74 HB2 GLN 10 1HB GLN 10 19.021 1.442 2.974 75 HB3 GLN 10 2HB GLN 10 19.848 0.261 1.975 76 HG2 GLN 10 1HG GLN 10 20.210 3.332 1.765 77 HG3 GLN 10 2HG GLN 10 21.198 2.255 2.698 78 HE21 GLN 10 1HE2 GLN 10 20.149 2.636 -0.739 79 HE22 GLN 10 2HE2 GLN 10 21.850 2.241 -1.333 80 HA PRO 11 HA PRO 11 14.854 -1.092 1.052 81 HB2 PRO 11 1HB PRO 11 14.776 -3.024 -0.901 82 HB3 PRO 11 2HB PRO 11 14.592 -1.289 -1.234 83 HG2 PRO 11 1HG PRO 11 17.191 -2.945 -1.440 84 HG3 PRO 11 2HG PRO 11 16.463 -1.932 -2.718 85 HD2 PRO 11 1HD PRO 11 18.456 -0.951 -1.060 86 HD3 PRO 11 2HD PRO 11 17.118 0.117 -1.600 87 H ILE 12 H ILE 12 16.218 -1.505 2.994 88 HA ILE 12 HA ILE 12 16.058 -4.508 3.548 89 HB ILE 12 HB ILE 12 18.383 -3.919 3.382 90 HG12 ILE 12 1HG1 ILE 12 19.234 -4.748 5.604 91 HG13 ILE 12 2HG1 ILE 12 17.630 -4.581 6.301 92 HG21 ILE 12 1HG2 ILE 12 19.611 -2.487 4.977 93 HG22 ILE 12 2HG2 ILE 12 18.411 -1.511 4.118 94 HG23 ILE 12 3HG2 ILE 12 18.107 -2.005 5.796 95 HD11 ILE 12 3HD1 ILE 12 18.345 -6.429 3.906 96 HD12 ILE 12 1HD1 ILE 12 18.176 -6.941 5.599 97 HD13 ILE 12 2HD1 ILE 12 16.758 -6.362 4.712 98 H TYR 13 H TYR 13 13.911 -4.065 3.996 99 HA TYR 13 HA TYR 13 13.207 -3.248 6.761 100 HD1 TYR 13 HD1 TYR 13 12.658 -1.454 8.200 101 HD2 TYR 13 HD2 TYR 13 10.439 -0.097 4.755 102 HE1 TYR 13 HE1 TYR 13 11.088 -0.278 9.662 103 HE2 TYR 13 HE2 TYR 13 8.916 1.114 6.233 104 HH TYR 13 HH TYR 13 9.021 0.690 9.739 105 HB2 TYR 13 1HB TYR 13 13.595 -1.033 5.483 106 HB3 TYR 13 2HB TYR 13 12.336 -1.484 4.359 107 H GLN 14 H GLN 14 11.274 -4.111 7.302 108 HA GLN 14 HA GLN 14 10.476 -6.438 5.964 109 HB2 GLN 14 1HB GLN 14 8.808 -6.838 7.564 110 HB3 GLN 14 2HB GLN 14 10.215 -6.139 8.320 111 HG2 GLN 14 1HG GLN 14 7.532 -4.679 7.803 112 HG3 GLN 14 2HG GLN 14 8.011 -5.467 9.271 113 HE21 GLN 14 1HE2 GLN 14 7.268 -2.971 9.511 114 HE22 GLN 14 2HE2 GLN 14 8.734 -1.939 9.902 115 H GLY 15 H GLY 15 8.922 -3.432 5.354 116 HA2 GLY 15 1HA GLY 15 7.818 -4.700 2.839 117 HA3 GLY 15 2HA GLY 15 6.586 -3.893 3.780 118 H ASN 16 H ASN 16 9.761 -3.329 2.392 119 HA ASN 16 HA ASN 16 9.678 -0.491 2.264 120 HB2 ASN 16 1HB ASN 16 11.617 -2.143 1.813 121 HB3 ASN 16 2HB ASN 16 10.998 -2.357 0.192 122 HD21 ASN 16 1HD2 ASN 16 12.168 0.181 2.438 123 HD22 ASN 16 2HD2 ASN 16 12.953 1.122 1.065 124 H LEU 17 H LEU 17 7.846 -2.537 0.089 125 HA LEU 17 HA LEU 17 7.208 -0.154 -1.722 126 HG LEU 17 HG LEU 17 8.880 -2.950 -2.360 127 HB2 LEU 17 1HB LEU 17 6.390 -3.090 -2.109 128 HB3 LEU 17 2HB LEU 17 6.170 -1.768 -3.252 129 HD11 LEU 17 1HD1 LEU 17 8.916 -3.931 -4.659 130 HD12 LEU 17 2HD1 LEU 17 7.503 -4.509 -3.760 131 HD13 LEU 17 3HD1 LEU 17 7.309 -3.255 -5.009 132 HD21 LEU 17 3HD2 LEU 17 9.903 -1.639 -4.198 133 HD22 LEU 17 1HD2 LEU 17 8.347 -0.886 -4.605 134 HD23 LEU 17 2HD2 LEU 17 9.140 -0.526 -3.054 135 H ILE 18 H ILE 18 4.498 -2.260 -1.633 136 HA ILE 18 HA ILE 18 2.958 -0.305 0.129 137 HB ILE 18 HB ILE 18 2.152 -2.528 -1.828 138 HG12 ILE 18 1HG1 ILE 18 2.737 -0.250 -2.726 139 HG13 ILE 18 2HG1 ILE 18 1.166 -0.873 -3.144 140 HG21 ILE 18 1HG2 ILE 18 0.507 -2.865 -0.047 141 HG22 ILE 18 2HG2 ILE 18 0.163 -1.125 0.063 142 HG23 ILE 18 3HG2 ILE 18 -0.269 -2.042 -1.406 143 HD11 ILE 18 3HD1 ILE 18 1.201 1.616 -2.588 144 HD12 ILE 18 1HD1 ILE 18 0.024 0.712 -1.616 145 HD13 ILE 18 2HD1 ILE 18 1.552 1.217 -0.889 146 H LYS 19 H LYS 19 2.584 -0.751 2.196 147 HA LYS 19 HA LYS 19 1.824 -3.411 3.107 148 HB2 LYS 19 1HB LYS 19 4.250 -3.769 3.100 149 HB3 LYS 19 2HB LYS 19 4.531 -2.386 4.152 150 HG2 LYS 19 1HG LYS 19 3.370 -3.445 6.006 151 HG3 LYS 19 2HG LYS 19 2.656 -4.670 4.978 152 HD2 LYS 19 1HD LYS 19 5.661 -4.563 5.659 153 HD3 LYS 19 2HD LYS 19 4.448 -5.431 6.564 154 HE2 LYS 19 1HE LYS 19 3.794 -6.811 4.594 155 HE3 LYS 19 2HE LYS 19 4.963 -5.999 3.562 156 HZ1 LYS 19 3HZ LYS 19 6.802 -6.904 4.897 157 HZ2 LYS 19 1HZ LYS 19 5.851 -7.338 6.172 158 HZ3 LYS 19 2HZ LYS 19 5.771 -8.188 4.739 159 H GLN 20 H GLN 20 0.545 -3.298 4.828 160 HA GLN 20 HA GLN 20 -0.370 -0.763 5.961 161 HB2 GLN 20 1HB GLN 20 -1.785 -2.707 5.540 162 HB3 GLN 20 2HB GLN 20 -1.003 -3.643 6.808 163 HG2 GLN 20 1HG GLN 20 -1.925 -2.272 8.584 164 HG3 GLN 20 2HG GLN 20 -2.324 -0.954 7.506 165 HE21 GLN 20 1HE2 GLN 20 -3.246 -4.333 8.299 166 HE22 GLN 20 2HE2 GLN 20 -4.952 -4.081 7.621 167 H ASN 21 H ASN 21 1.975 -3.035 7.330 168 HA ASN 21 HA ASN 21 2.307 -1.228 9.761 169 HB2 ASN 21 1HB ASN 21 2.537 -3.574 10.247 170 HB3 ASN 21 2HB ASN 21 3.637 -3.865 8.906 171 HD21 ASN 21 1HD2 ASN 21 5.347 -4.663 9.995 172 HD22 ASN 21 2HD2 ASN 21 6.148 -3.772 11.411 173 H ALA 22 H ALA 22 4.639 -2.293 7.227 174 HA ALA 22 HA ALA 22 6.675 -0.453 8.105 175 HB1 ALA 22 3HB ALA 22 7.097 -2.481 6.774 176 HB2 ALA 22 1HB ALA 22 6.246 -1.804 5.369 177 HB3 ALA 22 2HB ALA 22 7.763 -1.100 5.903 178 H VAL 23 H VAL 23 4.227 0.142 5.601 179 HA VAL 23 HA VAL 23 5.311 2.884 5.020 180 HB VAL 23 HB VAL 23 2.557 1.844 4.212 181 HG11 VAL 23 1HG1 VAL 23 2.672 3.623 2.462 182 HG12 VAL 23 2HG1 VAL 23 2.828 4.361 4.054 183 HG13 VAL 23 3HG1 VAL 23 4.271 4.146 3.047 184 HG21 VAL 23 3HG2 VAL 23 3.491 1.282 2.000 185 HG22 VAL 23 1HG2 VAL 23 5.131 1.781 2.489 186 HG23 VAL 23 2HG2 VAL 23 4.375 0.356 3.213 187 H GLU 24 H GLU 24 2.743 1.619 7.192 188 HA GLU 24 HA GLU 24 1.860 4.345 8.046 189 HB2 GLU 24 1HB GLU 24 0.533 2.117 8.063 190 HB3 GLU 24 2HB GLU 24 1.440 1.663 9.495 191 HG2 GLU 24 1HG GLU 24 0.432 3.583 10.759 192 HG3 GLU 24 2HG GLU 24 -0.254 4.258 9.280 193 H GLN 25 H GLN 25 4.229 2.009 9.183 194 HA GLN 25 HA GLN 25 5.172 3.537 11.528 195 HB2 GLN 25 1HB GLN 25 5.269 1.029 11.122 196 HB3 GLN 25 2HB GLN 25 6.443 1.289 9.834 197 HG2 GLN 25 1HG GLN 25 8.046 2.280 11.626 198 HG3 GLN 25 2HG GLN 25 6.865 1.860 12.852 199 HE21 GLN 25 1HE2 GLN 25 6.434 -0.453 13.123 200 HE22 GLN 25 2HE2 GLN 25 7.686 -1.669 12.574 201 H LEU 26 H LEU 26 6.474 3.425 8.181 202 HA LEU 26 HA LEU 26 9.059 4.111 8.700 203 HG LEU 26 HG LEU 26 6.400 4.678 6.074 204 HB2 LEU 26 1HB LEU 26 9.465 4.754 6.415 205 HB3 LEU 26 2HB LEU 26 8.509 3.323 6.649 206 HD11 LEU 26 1HD1 LEU 26 8.423 6.710 4.933 207 HD12 LEU 26 2HD1 LEU 26 6.653 6.705 4.679 208 HD13 LEU 26 3HD1 LEU 26 7.307 7.019 6.273 209 HD21 LEU 26 3HD2 LEU 26 8.600 4.375 3.910 210 HD22 LEU 26 1HD2 LEU 26 7.545 3.060 4.489 211 HD23 LEU 26 2HD2 LEU 26 6.843 4.430 3.617 212 H GLN 27 H GLN 27 6.810 6.601 8.985 213 HA GLN 27 HA GLN 27 7.015 8.979 9.299 214 HB2 GLN 27 1HB GLN 27 7.534 7.529 11.358 215 HB3 GLN 27 2HB GLN 27 9.228 7.939 11.143 216 HG2 GLN 27 1HG GLN 27 8.654 10.405 11.420 217 HG3 GLN 27 2HG GLN 27 6.949 10.013 11.550 218 HE21 GLN 27 1HE2 GLN 27 6.302 8.739 13.474 219 HE22 GLN 27 2HE2 GLN 27 7.371 8.889 14.968 220 H VAL 28 H VAL 28 8.244 8.701 6.952 221 HA VAL 28 HA VAL 28 10.690 10.497 6.983 222 HB VAL 28 HB VAL 28 9.217 9.117 4.643 223 HG11 VAL 28 1HG1 VAL 28 10.386 11.108 3.722 224 HG12 VAL 28 2HG1 VAL 28 11.868 10.737 4.635 225 HG13 VAL 28 3HG1 VAL 28 11.325 9.678 3.303 226 HG21 VAL 28 3HG2 VAL 28 11.252 7.629 4.558 227 HG22 VAL 28 1HG2 VAL 28 11.916 8.416 6.015 228 HG23 VAL 28 2HG2 VAL 28 10.423 7.458 6.106 229 H GLY 29 H GLY 29 10.520 12.617 6.811 230 HA2 GLY 29 1HA GLY 29 8.038 13.972 5.572 231 HA3 GLY 29 2HA GLY 29 8.855 14.629 6.957 232 H GLN 30 H GLN 30 10.528 13.272 4.210 233 HA GLN 30 HA GLN 30 11.176 15.989 2.978 234 HB2 GLN 30 1HB GLN 30 12.702 15.240 5.074 235 HB3 GLN 30 2HB GLN 30 13.399 14.092 3.963 236 HG2 GLN 30 1HG GLN 30 14.868 15.928 3.903 237 HG3 GLN 30 2HG GLN 30 13.991 16.136 2.408 238 HE21 GLN 30 1HE2 GLN 30 12.720 18.039 2.185 239 HE22 GLN 30 2HE2 GLN 30 12.767 19.332 3.521 240 H SER 31 H SER 31 9.811 13.629 1.862 241 HA SER 31 HA SER 31 11.197 13.647 -0.753 242 HG SER 31 HG SER 31 12.950 12.816 0.645 243 HB2 SER 31 1HB SER 31 11.123 10.903 0.692 244 HB3 SER 31 2HB SER 31 11.544 11.177 -1.012 245 H LYS 32 H LYS 32 9.411 14.020 -1.964 246 HA LYS 32 HA LYS 32 7.000 12.252 -1.721 247 HB2 LYS 32 1HB LYS 32 5.780 13.607 -3.007 248 HB3 LYS 32 2HB LYS 32 6.700 14.624 -1.924 249 HG2 LYS 32 1HG LYS 32 8.230 15.265 -3.867 250 HG3 LYS 32 2HG LYS 32 7.220 14.327 -4.963 251 HD2 LYS 32 1HD LYS 32 6.283 16.668 -3.176 252 HD3 LYS 32 2HD LYS 32 6.716 16.814 -4.873 253 HE2 LYS 32 1HE LYS 32 4.797 15.395 -5.597 254 HE3 LYS 32 2HE LYS 32 4.398 14.981 -3.941 255 HZ1 LYS 32 3HZ LYS 32 4.123 17.715 -5.159 256 HZ2 LYS 32 1HZ LYS 32 2.955 16.867 -4.371 257 HZ3 LYS 32 2HZ LYS 32 4.179 17.554 -3.565 258 H GLN 33 H GLN 33 9.347 12.831 -4.313 259 HA GLN 33 HA GLN 33 8.172 10.837 -6.165 260 HB2 GLN 33 1HB GLN 33 9.491 12.720 -6.924 261 HB3 GLN 33 2HB GLN 33 10.931 12.214 -6.034 262 HG2 GLN 33 1HG GLN 33 11.329 10.307 -7.478 263 HG3 GLN 33 2HG GLN 33 9.729 10.377 -8.183 264 HE21 GLN 33 1HE2 GLN 33 12.883 11.234 -8.781 265 HE22 GLN 33 2HE2 GLN 33 12.498 12.428 -10.119 266 H GLN 34 H GLN 34 10.663 10.488 -3.733 267 HA GLN 34 HA GLN 34 11.389 7.669 -4.441 268 HB2 GLN 34 1HB GLN 34 11.789 9.184 -1.792 269 HB3 GLN 34 2HB GLN 34 12.391 7.577 -2.128 270 HG2 GLN 34 1HG GLN 34 13.909 8.351 -3.886 271 HG3 GLN 34 2HG GLN 34 13.229 9.963 -3.899 272 HE21 GLN 34 1HE2 GLN 34 14.027 11.462 -2.372 273 HE22 GLN 34 2HE2 GLN 34 15.300 10.966 -1.159 274 H VAL 35 H VAL 35 9.163 9.057 -1.945 275 HA VAL 35 HA VAL 35 8.205 6.386 -1.115 276 HB VAL 35 HB VAL 35 8.141 8.458 0.349 277 HG11 VAL 35 1HG1 VAL 35 7.097 10.103 -1.222 278 HG12 VAL 35 2HG1 VAL 35 5.558 9.237 -1.145 279 HG13 VAL 35 3HG1 VAL 35 6.249 9.985 0.322 280 HG21 VAL 35 3HG2 VAL 35 6.909 6.346 0.955 281 HG22 VAL 35 1HG2 VAL 35 6.099 7.814 1.550 282 HG23 VAL 35 2HG2 VAL 35 5.461 6.967 0.125 283 H SER 36 H SER 36 6.938 8.725 -3.483 284 HA SER 36 HA SER 36 4.624 6.995 -4.224 285 HG SER 36 HG SER 36 4.266 8.202 -6.995 286 HB2 SER 36 1HB SER 36 4.829 9.552 -4.547 287 HB3 SER 36 2HB SER 36 5.940 9.262 -5.887 288 H ALA 37 H ALA 37 7.916 7.254 -5.628 289 HA ALA 37 HA ALA 37 7.422 5.229 -7.736 290 HB1 ALA 37 3HB ALA 37 9.931 5.129 -7.861 291 HB2 ALA 37 1HB ALA 37 9.353 6.806 -7.818 292 HB3 ALA 37 2HB ALA 37 10.057 6.073 -6.356 293 H LEU 38 H LEU 38 8.617 4.870 -4.382 294 HA LEU 38 HA LEU 38 8.889 1.905 -4.545 295 HG LEU 38 HG LEU 38 10.723 1.535 -2.796 296 HB2 LEU 38 1HB LEU 38 8.860 3.944 -2.247 297 HB3 LEU 38 2HB LEU 38 8.594 2.266 -1.859 298 HD11 LEU 38 1HD1 LEU 38 11.148 3.316 -4.574 299 HD12 LEU 38 2HD1 LEU 38 11.408 4.517 -3.293 300 HD13 LEU 38 3HD1 LEU 38 12.507 3.130 -3.456 301 HD21 LEU 38 3HD2 LEU 38 12.141 2.561 -1.019 302 HD22 LEU 38 1HD2 LEU 38 10.987 3.909 -0.820 303 HD23 LEU 38 2HD2 LEU 38 10.518 2.246 -0.393 304 H LEU 39 H LEU 39 6.221 3.924 -3.264 305 HA LEU 39 HA LEU 39 4.399 1.637 -2.759 306 HG LEU 39 HG LEU 39 5.149 4.053 -1.107 307 HB2 LEU 39 1HB LEU 39 3.970 4.636 -3.261 308 HB3 LEU 39 2HB LEU 39 2.640 3.588 -2.850 309 HD11 LEU 39 1HD1 LEU 39 3.877 6.157 -1.399 310 HD12 LEU 39 2HD1 LEU 39 2.352 5.346 -0.971 311 HD13 LEU 39 3HD1 LEU 39 3.633 5.534 0.245 312 HD21 LEU 39 3HD2 LEU 39 4.051 3.148 0.698 313 HD22 LEU 39 1HD2 LEU 39 2.466 2.977 -0.067 314 HD23 LEU 39 2HD2 LEU 39 3.810 1.874 -0.476 315 H GLY 40 H GLY 40 4.941 3.603 -5.611 316 HA2 GLY 40 1HA GLY 40 4.643 2.581 -7.876 317 HA3 GLY 40 2HA GLY 40 3.279 1.649 -7.305 318 H THR 41 H THR 41 4.242 5.063 -7.631 319 HA THR 41 HA THR 41 1.926 5.721 -9.432 320 HB THR 41 HB THR 41 2.133 6.896 -6.579 321 HG1 THR 41 HG1 THR 41 1.063 4.782 -7.380 322 HG21 THR 41 3HG2 THR 41 0.027 7.597 -8.740 323 HG22 THR 41 1HG2 THR 41 0.068 8.140 -7.056 324 HG23 THR 41 2HG2 THR 41 1.305 8.706 -8.175 325 HA PRO 42 HA PRO 42 5.318 8.612 -10.592 326 HB2 PRO 42 1HB PRO 42 4.066 10.187 -12.526 327 HB3 PRO 42 2HB PRO 42 4.462 8.470 -12.750 328 HG2 PRO 42 1HG PRO 42 1.764 9.637 -11.808 329 HG3 PRO 42 2HG PRO 42 2.032 8.538 -13.190 330 HD2 PRO 42 1HD PRO 42 1.285 7.548 -10.731 331 HD3 PRO 42 2HD PRO 42 2.489 6.650 -11.706 332 H SER 43 H SER 43 5.903 10.906 -10.712 333 HA SER 43 HA SER 43 5.283 12.242 -8.215 334 HG SER 43 HG SER 43 8.682 12.239 -9.348 335 HB2 SER 43 1HB SER 43 7.006 13.050 -10.664 336 HB3 SER 43 2HB SER 43 7.066 13.868 -9.103 337 H ILE 44 H ILE 44 5.284 14.566 -8.270 338 HA ILE 44 HA ILE 44 3.241 15.931 -10.109 339 HB ILE 44 HB ILE 44 3.346 16.501 -7.095 340 HG12 ILE 44 1HG1 ILE 44 0.986 15.425 -8.776 341 HG13 ILE 44 2HG1 ILE 44 2.038 14.377 -7.847 342 HG21 ILE 44 1HG2 ILE 44 2.961 18.605 -8.496 343 HG22 ILE 44 2HG2 ILE 44 1.618 17.789 -9.326 344 HG23 ILE 44 3HG2 ILE 44 1.514 18.165 -7.590 345 HD11 ILE 44 3HD1 ILE 44 0.279 16.583 -6.594 346 HD12 ILE 44 1HD1 ILE 44 0.022 14.838 -6.542 347 HD13 ILE 44 2HD1 ILE 44 1.412 15.546 -5.700 348 HA PRO 45 HA PRO 45 7.507 17.786 -9.974 349 HB2 PRO 45 1HB PRO 45 8.185 17.776 -12.630 350 HB3 PRO 45 2HB PRO 45 7.895 16.267 -11.737 351 HG2 PRO 45 1HG PRO 45 5.827 17.799 -13.454 352 HG3 PRO 45 2HG PRO 45 6.340 16.101 -13.669 353 HD2 PRO 45 1HD PRO 45 4.100 16.714 -12.146 354 HD3 PRO 45 2HD PRO 45 5.202 15.387 -11.679 355 H ASP 46 H ASP 46 5.654 19.554 -9.396 356 HA ASP 46 HA ASP 46 6.251 22.055 -11.019 357 HB2 ASP 46 1HB ASP 46 3.925 21.661 -10.633 358 HB3 ASP 46 2HB ASP 46 4.108 21.563 -8.895 359 HA PRO 47 HA PRO 47 8.919 23.438 -7.395 360 HB2 PRO 47 1HB PRO 47 10.185 25.544 -8.625 361 HB3 PRO 47 2HB PRO 47 10.577 23.855 -9.013 362 HG2 PRO 47 1HG PRO 47 8.678 25.724 -10.565 363 HG3 PRO 47 2HG PRO 47 10.030 24.772 -11.232 364 HD2 PRO 47 1HD PRO 47 7.356 23.889 -11.227 365 HD3 PRO 47 2HD PRO 47 8.721 22.732 -11.162 366 H PHE 48 H PHE 48 6.200 25.021 -8.908 367 HA PHE 48 HA PHE 48 6.330 27.437 -7.113 368 HD1 PHE 48 HD1 PHE 48 5.636 29.884 -8.421 369 HD2 PHE 48 HD2 PHE 48 2.172 27.376 -7.921 370 HE1 PHE 48 HE1 PHE 48 4.307 31.845 -7.741 371 HE2 PHE 48 HE2 PHE 48 0.851 29.345 -7.243 372 HZ PHE 48 HZ PHE 48 1.915 31.583 -7.149 373 HB2 PHE 48 1HB PHE 48 5.498 27.532 -9.466 374 HB3 PHE 48 2HB PHE 48 4.158 26.486 -9.079 375 H HIS 49 H HIS 49 3.761 24.862 -7.410 376 HA HIS 49 HA HIS 49 3.770 24.571 -4.424 377 HD1 HIS 49 HD1 HIS 49 0.231 27.353 -3.430 378 HD2 HIS 49 HD2 HIS 49 1.948 23.485 -2.731 379 HE1 HIS 49 HE1 HIS 49 -0.503 26.432 -1.138 380 HB2 HIS 49 1HB HIS 49 2.358 26.676 -4.934 381 HB3 HIS 49 2HB HIS 49 1.176 25.635 -5.717 382 H ALA 50 H ALA 50 4.517 22.579 -5.432 383 HA ALA 50 HA ALA 50 2.541 20.762 -6.681 384 HB1 ALA 50 3HB ALA 50 4.940 20.667 -7.143 385 HB2 ALA 50 1HB ALA 50 5.311 20.208 -5.474 386 HB3 ALA 50 2HB ALA 50 4.373 19.128 -6.533 387 H GLN 51 H GLN 51 0.861 20.725 -5.294 388 HA GLN 51 HA GLN 51 0.924 20.172 -2.481 389 HB2 GLN 51 1HB GLN 51 -1.357 20.098 -4.583 390 HB3 GLN 51 2HB GLN 51 -1.665 19.985 -2.868 391 HG2 GLN 51 1HG GLN 51 -0.533 22.166 -2.424 392 HG3 GLN 51 2HG GLN 51 -0.304 22.399 -4.156 393 HE21 GLN 51 1HE2 GLN 51 -1.496 24.329 -3.531 394 HE22 GLN 51 2HE2 GLN 51 -3.337 24.244 -3.569 395 H ARG 52 H ARG 52 -1.046 18.594 -1.849 396 HA ARG 52 HA ARG 52 -0.154 15.991 -1.312 397 HE ARG 52 HE ARG 52 -5.369 16.733 -3.576 398 HB2 ARG 52 1HB ARG 52 -2.296 15.578 -0.451 399 HB3 ARG 52 2HB ARG 52 -2.080 17.292 -0.278 400 HG2 ARG 52 1HG ARG 52 -3.787 15.760 -2.320 401 HG3 ARG 52 2HG ARG 52 -4.371 16.603 -0.905 402 HD2 ARG 52 1HD ARG 52 -3.893 18.833 -1.888 403 HD3 ARG 52 2HD ARG 52 -3.040 18.088 -3.279 404 HH11 ARG 52 2HH2 ARG 52 -4.815 20.192 -3.380 405 HH12 ARG 52 1HH2 ARG 52 -6.431 20.493 -4.170 406 HH21 ARG 52 2HH1 ARG 52 -7.183 17.107 -4.184 407 HH22 ARG 52 1HH1 ARG 52 -7.714 18.807 -4.665 408 H TRP 53 H TRP 53 -0.803 13.968 -1.872 409 HA TRP 53 HA TRP 53 -1.661 13.397 -4.772 410 HD1 TRP 53 HD1 TRP 53 -2.534 10.385 -5.059 411 HE1 TRP 53 HE1 TRP 53 -2.152 7.803 -5.091 412 HE3 TRP 53 HE3 TRP 53 2.160 10.472 -2.987 413 HZ2 TRP 53 HZ2 TRP 53 0.073 6.131 -4.359 414 HZ3 TRP 53 HZ3 TRP 53 3.310 8.314 -2.581 415 HH2 TRP 53 HH2 TRP 53 2.274 6.204 -3.237 416 HB2 TRP 53 1HB TRP 53 0.488 12.481 -4.452 417 HB3 TRP 53 2HB TRP 53 0.157 11.978 -2.800 418 H ASP 54 H ASP 54 -3.881 13.719 -4.274 419 HA ASP 54 HA ASP 54 -5.194 11.773 -2.365 420 HB2 ASP 54 1HB ASP 54 -7.080 13.315 -2.493 421 HB3 ASP 54 2HB ASP 54 -5.599 14.059 -1.940 422 H TYR 55 H TYR 55 -4.376 10.292 -4.347 423 HA TYR 55 HA TYR 55 -6.668 9.973 -6.348 424 HD1 TYR 55 HD2 TYR 55 -6.699 11.882 -7.896 425 HD2 TYR 55 HD1 TYR 55 -2.486 11.818 -6.976 426 HE1 TYR 55 HE2 TYR 55 -6.695 14.319 -7.668 427 HE2 TYR 55 HE1 TYR 55 -2.513 14.267 -6.782 428 HH TYR 55 HH TYR 55 -4.970 15.579 -5.802 429 HB2 TYR 55 1HB TYR 55 -3.656 9.735 -6.987 430 HB3 TYR 55 2HB TYR 55 -4.985 9.636 -8.120 431 H THR 56 H THR 56 -7.330 8.040 -6.870 432 HA THR 56 HA THR 56 -6.200 5.564 -5.618 433 HB THR 56 HB THR 56 -8.525 5.747 -7.631 434 HG1 THR 56 HG1 THR 56 -8.494 6.515 -4.905 435 HG21 THR 56 3HG2 THR 56 -9.460 3.861 -6.237 436 HG22 THR 56 1HG2 THR 56 -7.912 3.413 -6.946 437 HG23 THR 56 2HG2 THR 56 -7.995 3.843 -5.243 438 H SER 57 H SER 57 -4.272 4.930 -6.621 439 HA SER 57 HA SER 57 -4.070 5.023 -9.643 440 HG SER 57 HG SER 57 -0.940 5.079 -7.130 441 HB2 SER 57 1HB SER 57 -1.733 4.760 -9.382 442 HB3 SER 57 2HB SER 57 -2.402 6.101 -8.430 443 H THR 58 H THR 58 -5.060 3.458 -10.388 444 HA THR 58 HA THR 58 -5.119 0.743 -9.041 445 HB THR 58 HB THR 58 -6.600 2.351 -8.193 446 HG1 THR 58 HG1 THR 58 -8.648 1.067 -9.029 447 HG21 THR 58 3HG2 THR 58 -8.201 2.322 -10.869 448 HG22 THR 58 1HG2 THR 58 -8.642 3.196 -9.381 449 HG23 THR 58 2HG2 THR 58 -7.256 3.718 -10.337 450 H GLN 59 H GLN 59 -7.029 -0.493 -9.979 451 HA GLN 59 HA GLN 59 -6.872 -1.180 -12.809 452 HB2 GLN 59 1HB GLN 59 -4.541 -1.926 -11.919 453 HB3 GLN 59 2HB GLN 59 -5.355 -3.172 -10.991 454 HG2 GLN 59 1HG GLN 59 -4.362 -4.086 -13.008 455 HG3 GLN 59 2HG GLN 59 -6.074 -4.307 -13.111 456 HE21 GLN 59 1HE2 GLN 59 -3.341 -2.704 -14.521 457 HE22 GLN 59 2HE2 GLN 59 -4.270 -2.058 -15.968 458 H ARG 60 H ARG 60 -7.857 -3.471 -13.158 459 HA ARG 60 HA ARG 60 -10.544 -3.329 -11.869 460 HE ARG 60 HE ARG 60 -10.959 -2.022 -16.764 461 HB2 ARG 60 1HB ARG 60 -9.482 -5.294 -14.000 462 HB3 ARG 60 2HB ARG 60 -11.124 -5.231 -13.416 463 HG2 ARG 60 1HG ARG 60 -11.239 -4.142 -15.432 464 HG3 ARG 60 2HG ARG 60 -11.369 -2.840 -14.258 465 HD2 ARG 60 1HD ARG 60 -8.964 -2.207 -14.651 466 HD3 ARG 60 2HD ARG 60 -8.747 -3.613 -15.721 467 HH11 ARG 60 2HH2 ARG 60 -7.485 -1.751 -16.358 468 HH12 ARG 60 1HH2 ARG 60 -7.368 -0.587 -17.767 469 HH21 ARG 60 2HH1 ARG 60 -10.752 -0.708 -18.352 470 HH22 ARG 60 1HH1 ARG 60 -9.128 -0.045 -18.826 471 H VAL 61 H VAL 61 -9.573 -3.843 -9.728 472 HA VAL 61 HA VAL 61 -9.202 -6.658 -9.044 473 HB VAL 61 HB VAL 61 -8.092 -4.732 -7.947 474 HG11 VAL 61 1HG1 VAL 61 -10.612 -4.397 -6.184 475 HG12 VAL 61 2HG1 VAL 61 -9.059 -3.551 -6.038 476 HG13 VAL 61 3HG1 VAL 61 -10.108 -3.251 -7.434 477 HG21 VAL 61 3HG2 VAL 61 -7.931 -5.800 -5.724 478 HG22 VAL 61 1HG2 VAL 61 -9.415 -6.740 -6.016 479 HG23 VAL 61 2HG2 VAL 61 -7.967 -7.019 -7.012 480 H ASP 62 H ASP 62 -12.026 -4.585 -8.433 481 HA ASP 62 HA ASP 62 -13.663 -7.087 -7.736 482 HB2 ASP 62 1HB ASP 62 -12.798 -5.818 -5.812 483 HB3 ASP 62 2HB ASP 62 -13.505 -4.332 -6.363 484 H ARG 63 H ARG 63 -16.035 -6.050 -7.496 485 HA ARG 63 HA ARG 63 -16.494 -6.873 -10.245 486 HE ARG 63 HE ARG 63 -18.556 -10.161 -7.966 487 HB2 ARG 63 1HB ARG 63 -17.301 -7.891 -8.119 488 HB3 ARG 63 2HB ARG 63 -18.437 -6.578 -7.900 489 HG2 ARG 63 1HG ARG 63 -19.527 -7.315 -10.171 490 HG3 ARG 63 2HG ARG 63 -18.482 -8.727 -10.122 491 HD2 ARG 63 1HD ARG 63 -20.532 -7.856 -7.974 492 HD3 ARG 63 2HD ARG 63 -20.817 -9.109 -9.172 493 HH11 ARG 63 2HH2 ARG 63 -21.472 -8.809 -6.383 494 HH12 ARG 63 1HH2 ARG 63 -21.071 -9.821 -4.905 495 HH21 ARG 63 2HH1 ARG 63 -18.232 -11.167 -6.192 496 HH22 ARG 63 1HH1 ARG 63 -19.359 -10.949 -4.776 497 H LEU 64 H LEU 64 -19.086 -4.850 -8.894 498 HA LEU 64 HA LEU 64 -19.786 -4.010 -11.492 499 HG LEU 64 HG LEU 64 -23.040 -3.219 -9.764 500 HB2 LEU 64 1HB LEU 64 -21.141 -4.445 -9.282 501 HB3 LEU 64 2HB LEU 64 -20.875 -2.771 -8.892 502 HD11 LEU 64 1HD1 LEU 64 -22.105 -0.956 -10.344 503 HD12 LEU 64 2HD1 LEU 64 -21.572 -1.567 -11.924 504 HD13 LEU 64 3HD1 LEU 64 -23.300 -1.514 -11.529 505 HD21 LEU 64 3HD2 LEU 64 -23.580 -4.118 -11.958 506 HD22 LEU 64 1HD2 LEU 64 -21.884 -4.107 -12.483 507 HD23 LEU 64 2HD2 LEU 64 -22.402 -5.217 -11.194 508 H ALA 65 H ALA 65 -19.417 -1.340 -9.091 509 HA ALA 65 HA ALA 65 -17.443 -0.013 -11.054 510 HB1 ALA 65 3HB ALA 65 -19.595 1.387 -9.344 511 HB2 ALA 65 1HB ALA 65 -18.375 2.191 -10.357 512 HB3 ALA 65 2HB ALA 65 -19.596 1.147 -11.109 513 H ARG 66 H ARG 66 -16.192 -1.494 -9.756 514 HA ARG 66 HA ARG 66 -14.891 -0.105 -7.357 515 HE ARG 66 HE ARG 66 -14.486 -3.520 -4.362 516 HB2 ARG 66 1HB ARG 66 -16.675 -2.428 -7.267 517 HB3 ARG 66 2HB ARG 66 -15.120 -3.022 -6.871 518 HG2 ARG 66 1HG ARG 66 -16.510 -0.624 -5.513 519 HG3 ARG 66 2HG ARG 66 -16.586 -2.270 -4.937 520 HD2 ARG 66 1HD ARG 66 -13.929 -0.713 -5.162 521 HD3 ARG 66 2HD ARG 66 -14.956 -0.708 -3.732 522 HH11 ARG 66 2HH2 ARG 66 -12.609 -0.740 -3.098 523 HH12 ARG 66 1HH2 ARG 66 -11.350 -1.970 -2.540 524 HH21 ARG 66 2HH1 ARG 66 -13.133 -4.666 -3.617 525 HH22 ARG 66 1HH1 ARG 66 -11.606 -4.004 -2.779 526 H THR 67 H THR 67 -13.684 0.142 -9.647 527 HA THR 67 HA THR 67 -11.365 -1.808 -9.750 528 HB THR 67 HB THR 67 -10.550 -0.506 -11.625 529 HG1 THR 67 HG1 THR 67 -11.335 1.514 -10.714 530 HG21 THR 67 3HG2 THR 67 -13.591 -0.767 -12.054 531 HG22 THR 67 1HG2 THR 67 -12.323 -0.749 -13.290 532 HG23 THR 67 2HG2 THR 67 -12.464 -2.128 -12.168 533 H GLU 68 H GLU 68 -10.307 -1.494 -7.775 534 HA GLU 68 HA GLU 68 -9.651 1.346 -6.831 535 HB2 GLU 68 1HB GLU 68 -12.094 0.844 -6.511 536 HB3 GLU 68 2HB GLU 68 -11.678 -0.511 -5.467 537 HG2 GLU 68 1HG GLU 68 -10.613 1.122 -3.809 538 HG3 GLU 68 2HG GLU 68 -10.966 2.464 -4.899 539 H ILE 69 H ILE 69 -7.564 0.527 -6.923 540 HA ILE 69 HA ILE 69 -6.663 -0.645 -4.308 541 HB ILE 69 HB ILE 69 -6.726 -2.479 -5.974 542 HG12 ILE 69 1HG1 ILE 69 -4.295 -3.236 -5.847 543 HG13 ILE 69 2HG1 ILE 69 -3.865 -1.673 -5.179 544 HG21 ILE 69 1HG2 ILE 69 -5.266 -2.615 -7.939 545 HG22 ILE 69 2HG2 ILE 69 -6.274 -1.164 -8.060 546 HG23 ILE 69 3HG2 ILE 69 -4.562 -1.003 -7.617 547 HD11 ILE 69 3HD1 ILE 69 -5.756 -3.788 -3.922 548 HD12 ILE 69 1HD1 ILE 69 -4.180 -3.253 -3.293 549 HD13 ILE 69 2HD1 ILE 69 -5.580 -2.151 -3.261 550 H LYS 70 H LYS 70 -4.738 0.066 -3.596 551 HA LYS 70 HA LYS 70 -3.280 1.833 -2.953 552 HB2 LYS 70 1HB LYS 70 -2.710 2.052 -5.951 553 HB3 LYS 70 2HB LYS 70 -1.786 2.842 -4.693 554 HG2 LYS 70 1HG LYS 70 -1.230 0.588 -3.672 555 HG3 LYS 70 2HG LYS 70 -2.039 -0.223 -4.995 556 HD2 LYS 70 1HD LYS 70 0.338 1.750 -5.370 557 HD3 LYS 70 2HD LYS 70 0.524 0.057 -5.055 558 HE2 LYS 70 1HE LYS 70 0.767 -0.016 -7.299 559 HE3 LYS 70 2HE LYS 70 -0.940 -0.437 -7.183 560 HZ1 LYS 70 3HZ LYS 70 -0.504 1.334 -8.899 561 HZ2 LYS 70 1HZ LYS 70 -1.505 1.938 -7.767 562 HZ3 LYS 70 2HZ LYS 70 0.107 2.357 -7.771 563 H ASN 71 H ASN 71 -5.409 2.861 -2.365 564 HA ASN 71 HA ASN 71 -5.448 5.701 -3.524 565 HB2 ASN 71 1HB ASN 71 -7.672 4.398 -3.183 566 HB3 ASN 71 2HB ASN 71 -7.408 4.488 -1.472 567 HD21 ASN 71 1HD2 ASN 71 -7.991 6.450 -0.460 568 HD22 ASN 71 2HD2 ASN 71 -8.620 7.869 -1.476 569 H PHE 72 H PHE 72 -3.527 6.328 -2.706 570 HA PHE 72 HA PHE 72 -3.097 6.272 0.344 571 HD1 PHE 72 HD2 PHE 72 -0.983 4.700 1.338 572 HD2 PHE 72 HD1 PHE 72 0.565 8.012 -0.903 573 HE1 PHE 72 HE2 PHE 72 0.720 5.070 3.072 574 HE2 PHE 72 HE1 PHE 72 2.371 8.277 0.730 575 HZ PHE 72 HZ PHE 72 2.431 6.843 2.773 576 HB2 PHE 72 1HB PHE 72 -1.484 5.046 -1.166 577 HB3 PHE 72 2HB PHE 72 -1.062 6.555 -1.939 578 H THR 73 H THR 73 -4.040 8.067 1.091 579 HA THR 73 HA THR 73 -4.003 10.645 -0.534 580 HB THR 73 HB THR 73 -5.614 10.045 1.996 581 HG1 THR 73 HG1 THR 73 -6.004 9.014 -0.160 582 HG21 THR 73 3HG2 THR 73 -6.873 12.108 1.344 583 HG22 THR 73 1HG2 THR 73 -5.175 12.560 1.627 584 HG23 THR 73 2HG2 THR 73 -5.787 12.397 -0.029 585 H VAL 74 H VAL 74 -2.083 11.439 -0.285 586 HA VAL 74 HA VAL 74 -0.898 11.848 2.505 587 HB VAL 74 HB VAL 74 0.216 10.005 1.527 588 HG11 VAL 74 1HG1 VAL 74 1.703 10.182 -0.499 589 HG12 VAL 74 2HG1 VAL 74 -0.017 10.336 -0.923 590 HG13 VAL 74 3HG1 VAL 74 1.010 11.777 -0.850 591 HG21 VAL 74 3HG2 VAL 74 1.614 11.770 2.865 592 HG22 VAL 74 1HG2 VAL 74 2.562 10.713 1.796 593 HG23 VAL 74 2HG2 VAL 74 2.176 12.381 1.301 594 H PHE 75 H PHE 75 -0.217 13.742 3.013 595 HA PHE 75 HA PHE 75 -0.657 16.037 1.089 596 HD1 PHE 75 HD1 PHE 75 -2.503 14.399 4.119 597 HD2 PHE 75 HD2 PHE 75 -2.497 18.185 2.073 598 HE1 PHE 75 HE1 PHE 75 -4.950 14.271 3.869 599 HE2 PHE 75 HE2 PHE 75 -4.942 18.040 1.813 600 HZ PHE 75 HZ PHE 75 -6.175 16.085 2.708 601 HB2 PHE 75 1HB PHE 75 -0.422 15.904 4.157 602 HB3 PHE 75 2HB PHE 75 -0.452 17.418 3.280 603 H PHE 76 H PHE 76 0.844 17.308 0.337 604 HA PHE 76 HA PHE 76 3.704 17.262 1.399 605 HD1 PHE 76 HD1 PHE 76 5.278 15.044 0.453 606 HD2 PHE 76 HD2 PHE 76 2.002 15.270 -2.317 607 HE1 PHE 76 HE1 PHE 76 5.337 12.563 0.156 608 HE2 PHE 76 HE2 PHE 76 2.203 12.863 -2.738 609 HZ PHE 76 HZ PHE 76 3.838 11.499 -1.465 610 HB2 PHE 76 1HB PHE 76 2.971 17.288 -1.598 611 HB3 PHE 76 2HB PHE 76 4.579 17.263 -0.910 612 H GLU 77 H GLU 77 4.763 19.236 1.182 613 HA GLU 77 HA GLU 77 3.089 21.674 0.450 614 HB2 GLU 77 1HB GLU 77 4.336 21.704 2.504 615 HB3 GLU 77 2HB GLU 77 5.868 21.429 1.715 616 HG2 GLU 77 1HG GLU 77 4.134 23.942 1.186 617 HG3 GLU 77 2HG GLU 77 5.298 23.820 2.492 618 H ASN 78 H ASN 78 6.400 20.814 -0.466 619 HA ASN 78 HA ASN 78 5.645 21.101 -3.417 620 HB2 ASN 78 1HB ASN 78 7.592 22.858 -1.874 621 HB3 ASN 78 2HB ASN 78 8.244 22.244 -3.367 622 HD21 ASN 78 1HD2 ASN 78 6.211 24.647 -2.111 623 HD22 ASN 78 2HD2 ASN 78 5.835 25.310 -3.805 624 H GLU 79 H GLU 79 8.402 20.146 -1.379 625 HA GLU 79 HA GLU 79 8.557 17.584 -3.050 626 HB2 GLU 79 1HB GLU 79 10.776 17.443 -3.045 627 HB3 GLU 79 2HB GLU 79 10.579 19.144 -3.167 628 HG2 GLU 79 1HG GLU 79 12.349 18.950 -1.674 629 HG3 GLU 79 2HG GLU 79 11.021 19.290 -0.580 630 H GLN 80 H GLN 80 8.104 18.833 0.188 631 HA GLN 80 HA GLN 80 9.112 16.283 1.429 632 HB2 GLN 80 1HB GLN 80 9.516 17.624 3.367 633 HB3 GLN 80 2HB GLN 80 10.212 18.382 1.967 634 HG2 GLN 80 1HG GLN 80 7.558 19.293 3.283 635 HG3 GLN 80 2HG GLN 80 9.141 19.811 3.801 636 HE21 GLN 80 1HE2 GLN 80 9.087 21.926 3.280 637 HE22 GLN 80 2HE2 GLN 80 8.418 22.568 1.690 638 H VAL 81 H VAL 81 8.055 15.256 3.186 639 HA VAL 81 HA VAL 81 5.115 15.149 2.584 640 HB VAL 81 HB VAL 81 6.362 13.111 4.491 641 HG11 VAL 81 1HG1 VAL 81 3.940 13.002 4.126 642 HG12 VAL 81 2HG1 VAL 81 4.151 12.999 2.364 643 HG13 VAL 81 3HG1 VAL 81 4.698 11.610 3.327 644 HG21 VAL 81 3HG2 VAL 81 6.893 11.607 2.490 645 HG22 VAL 81 1HG2 VAL 81 6.908 13.073 1.470 646 HG23 VAL 81 2HG2 VAL 81 8.038 12.903 2.801 647 H VAL 82 H VAL 82 3.539 15.655 3.807 648 HA VAL 82 HA VAL 82 4.041 16.899 6.533 649 HB VAL 82 HB VAL 82 1.733 17.153 4.527 650 HG11 VAL 82 1HG1 VAL 82 0.766 17.474 6.819 651 HG12 VAL 82 2HG1 VAL 82 2.048 18.633 7.226 652 HG13 VAL 82 3HG1 VAL 82 0.865 19.014 5.953 653 HG21 VAL 82 3HG2 VAL 82 2.638 19.263 3.911 654 HG22 VAL 82 1HG2 VAL 82 3.588 19.445 5.420 655 HG23 VAL 82 2HG2 VAL 82 4.116 18.343 4.152 656 H ARG 83 H ARG 83 1.370 14.876 5.178 657 HA ARG 83 HA ARG 83 1.929 12.742 7.029 658 HE ARG 83 HE ARG 83 -2.086 11.426 7.284 659 HB2 ARG 83 1HB ARG 83 0.120 12.569 8.537 660 HB3 ARG 83 2HB ARG 83 0.902 14.097 8.752 661 HG2 ARG 83 1HG ARG 83 -1.350 14.509 9.095 662 HG3 ARG 83 2HG ARG 83 -0.970 15.291 7.578 663 HD2 ARG 83 1HD ARG 83 -3.222 14.232 7.533 664 HD3 ARG 83 2HD ARG 83 -2.189 13.632 6.281 665 HH11 ARG 83 2HH2 ARG 83 -3.777 13.563 9.429 666 HH12 ARG 83 1HH2 ARG 83 -4.389 12.159 10.433 667 HH21 ARG 83 2HH1 ARG 83 -2.761 9.904 8.377 668 HH22 ARG 83 1HH1 ARG 83 -3.816 10.163 9.851 669 H TRP 84 H TRP 84 0.746 10.811 6.715 670 HA TRP 84 HA TRP 84 -1.084 10.773 4.274 671 HD1 TRP 84 HD1 TRP 84 0.370 6.352 5.348 672 HE1 TRP 84 HE1 TRP 84 2.559 5.631 6.635 673 HE3 TRP 84 HE3 TRP 84 3.012 10.693 4.764 674 HZ2 TRP 84 HZ2 TRP 84 4.880 6.927 7.476 675 HZ3 TRP 84 HZ3 TRP 84 5.288 10.841 5.730 676 HH2 TRP 84 HH2 TRP 84 6.191 9.018 7.084 677 HB2 TRP 84 1HB TRP 84 -0.230 8.538 3.707 678 HB3 TRP 84 2HB TRP 84 0.989 9.775 3.642 679 H GLU 85 H GLU 85 -2.666 9.356 4.074 680 HA GLU 85 HA GLU 85 -2.845 7.181 6.116 681 HB2 GLU 85 1HB GLU 85 -4.935 9.047 6.247 682 HB3 GLU 85 2HB GLU 85 -5.623 7.877 5.146 683 HG2 GLU 85 1HG GLU 85 -4.458 7.304 7.963 684 HG3 GLU 85 2HG GLU 85 -6.154 7.521 7.577 685 H GLY 86 H GLY 86 -3.485 5.282 5.236 686 HA2 GLY 86 1HA GLY 86 -3.039 5.059 2.186 687 HA3 GLY 86 2HA GLY 86 -2.201 4.010 3.303 688 H ASP 87 H ASP 87 -5.296 4.768 1.882 689 HA ASP 87 HA ASP 87 -6.431 2.137 2.867 690 HB2 ASP 87 1HB ASP 87 -8.545 2.776 2.277 691 HB3 ASP 87 2HB ASP 87 -7.809 4.075 3.143 692 H TYR 88 H TYR 88 -4.887 1.011 1.900 693 HA TYR 88 HA TYR 88 -4.797 0.788 -1.143 694 HD1 TYR 88 HD2 TYR 88 -3.294 -0.424 2.397 695 HD2 TYR 88 HD1 TYR 88 -0.664 2.309 0.311 696 HE1 TYR 88 HE2 TYR 88 -1.922 -0.232 4.368 697 HE2 TYR 88 HE1 TYR 88 0.704 2.481 2.333 698 HH TYR 88 HH TYR 88 0.906 0.584 4.661 699 HB2 TYR 88 1HB TYR 88 -2.369 0.450 -0.940 700 HB3 TYR 88 2HB TYR 88 -3.009 2.005 -0.462 701 H PHE 89 H PHE 89 -2.898 -1.489 0.622 702 HA PHE 89 HA PHE 89 -4.937 -3.709 -0.019 703 HD1 PHE 89 HD1 PHE 89 -2.414 -6.165 1.726 704 HD2 PHE 89 HD2 PHE 89 -3.986 -5.675 -2.256 705 HE1 PHE 89 HE1 PHE 89 -2.886 -8.573 1.613 706 HE2 PHE 89 HE2 PHE 89 -4.468 -8.086 -2.349 707 HZ PHE 89 HZ PHE 89 -3.920 -9.543 -0.420 708 HB2 PHE 89 1HB PHE 89 -2.683 -3.848 -1.228 709 HB3 PHE 89 2HB PHE 89 -1.889 -4.048 0.318 710 HA PRO 90 HA PRO 90 -4.609 -3.161 4.595 711 HB2 PRO 90 1HB PRO 90 -7.247 -3.252 5.317 712 HB3 PRO 90 2HB PRO 90 -6.607 -1.945 4.305 713 HG2 PRO 90 1HG PRO 90 -7.984 -4.529 3.294 714 HG3 PRO 90 2HG PRO 90 -8.500 -2.849 2.967 715 HD2 PRO 90 1HD PRO 90 -6.830 -4.168 1.186 716 HD3 PRO 90 2HD PRO 90 -6.600 -2.425 1.539 717 H SER 91 H SER 91 -3.671 -5.454 3.856 718 HA SER 91 HA SER 91 -4.244 -7.155 6.236 719 HG SER 91 HG SER 91 -5.455 -10.193 4.932 720 HB2 SER 91 1HB SER 91 -6.059 -7.977 4.679 721 HB3 SER 91 2HB SER 91 -4.826 -8.515 3.524 722 H GLN 92 H GLN 92 -2.098 -6.342 6.434 723 HA GLN 92 HA GLN 92 -0.122 -8.327 6.187 724 HB2 GLN 92 1HB GLN 92 1.614 -7.486 4.657 725 HB3 GLN 92 2HB GLN 92 0.240 -8.234 3.893 726 HG2 GLN 92 1HG GLN 92 -0.691 -6.033 3.189 727 HG3 GLN 92 2HG GLN 92 0.553 -5.170 4.044 728 HE21 GLN 92 1HE2 GLN 92 -0.219 -6.359 1.018 729 HE22 GLN 92 2HE2 GLN 92 1.493 -6.214 0.351 730 H ASP 93 H ASP 93 0.210 -7.741 8.268 731 HA ASP 93 HA ASP 93 1.945 -5.403 8.824 732 HB2 ASP 93 1HB ASP 93 0.525 -4.386 10.589 733 HB3 ASP 93 2HB ASP 93 0.105 -4.073 8.933 734 H GLU 94 H GLU 94 3.451 -6.836 9.414 735 HA GLU 94 HA GLU 94 2.927 -8.986 11.358 736 HB2 GLU 94 1HB GLU 94 5.270 -9.576 11.137 737 HB3 GLU 94 2HB GLU 94 4.487 -9.409 9.589 738 HG2 GLU 94 1HG GLU 94 6.315 -7.212 10.803 739 HG3 GLU 94 2HG GLU 94 6.888 -8.524 9.790 740 H GLN 95 H GLN 95 3.681 -5.994 11.791 741 HA GLN 95 HA GLN 95 3.886 -6.239 14.814 742 HB2 GLN 95 1HB GLN 95 5.010 -3.776 13.345 743 HB3 GLN 95 2HB GLN 95 4.852 -3.959 15.072 744 HG2 GLN 95 1HG GLN 95 6.623 -5.657 15.191 745 HG3 GLN 95 2HG GLN 95 6.622 -5.908 13.459 746 HE21 GLN 95 1HE2 GLN 95 8.052 -4.055 15.923 747 HE22 GLN 95 2HE2 GLN 95 8.993 -2.976 14.766 748 H LEU 96 H LEU 96 1.747 -6.329 14.757 749 HA LEU 96 HA LEU 96 -0.081 -5.473 13.016 750 HG LEU 96 HG LEU 96 -2.440 -6.004 13.507 751 HB2 LEU 96 1HB LEU 96 -0.382 -7.024 14.896 752 HB3 LEU 96 2HB LEU 96 -0.676 -5.716 16.028 753 HD11 LEU 96 1HD1 LEU 96 -3.947 -7.552 14.769 754 HD12 LEU 96 2HD1 LEU 96 -2.357 -8.290 14.521 755 HD13 LEU 96 3HD1 LEU 96 -2.787 -7.632 16.120 756 HD21 LEU 96 3HD2 LEU 96 -2.855 -3.981 14.980 757 HD22 LEU 96 1HD2 LEU 96 -4.219 -5.094 15.046 758 HD23 LEU 96 2HD2 LEU 96 -3.061 -5.029 16.394 759 H ALA 97 H ALA 97 -1.020 -3.759 12.244 760 HA ALA 97 HA ALA 97 -0.484 -1.006 13.523 761 HB1 ALA 97 3HB ALA 97 -0.619 -1.872 10.564 762 HB2 ALA 97 1HB ALA 97 -0.187 -0.260 11.160 763 HB3 ALA 97 2HB ALA 97 0.860 -1.630 11.529 764 H LYS 98 H LYS 98 -2.212 0.309 11.600 765 HA LYS 98 HA LYS 98 -4.877 -0.017 12.796 766 HB2 LYS 98 1HB LYS 98 -3.996 2.040 11.670 767 HB3 LYS 98 2HB LYS 98 -4.099 1.255 10.104 768 HG2 LYS 98 1HG LYS 98 -6.622 1.018 10.391 769 HG3 LYS 98 2HG LYS 98 -6.511 1.794 11.977 770 HD2 LYS 98 1HD LYS 98 -5.595 3.889 10.918 771 HD3 LYS 98 2HD LYS 98 -5.592 3.121 9.329 772 HE2 LYS 98 1HE LYS 98 -8.111 2.802 9.444 773 HE3 LYS 98 2HE LYS 98 -8.145 3.550 11.050 774 HZ1 LYS 98 3HZ LYS 98 -7.153 4.934 8.492 775 HZ2 LYS 98 1HZ LYS 98 -8.597 5.249 9.250 776 HZ3 LYS 98 2HZ LYS 98 -7.171 5.624 9.994 777 H ALA 99 H ALA 99 -4.876 -2.335 12.676 778 HA ALA 99 HA ALA 99 -5.404 -3.814 10.235 779 HB1 ALA 99 3HB ALA 99 -5.851 -4.646 13.167 780 HB2 ALA 99 1HB ALA 99 -5.739 -5.738 11.771 781 HB3 ALA 99 2HB ALA 99 -4.335 -4.762 12.227 782 H ALA 100 H ALA 100 -7.039 -2.311 9.524 783 HA ALA 100 HA ALA 100 -9.885 -3.389 9.928 784 HB1 ALA 100 3HB ALA 100 -10.610 -0.922 9.848 785 HB2 ALA 100 1HB ALA 100 -9.533 -1.251 11.219 786 HB3 ALA 100 2HB ALA 100 -8.895 -0.444 9.765 787 HA PRO 101 HA PRO 101 -9.824 -3.553 5.429 788 HB2 PRO 101 1HB PRO 101 -12.495 -3.539 4.708 789 HB3 PRO 101 2HB PRO 101 -11.725 -4.825 5.662 790 HG2 PRO 101 1HG PRO 101 -13.283 -2.396 6.764 791 HG3 PRO 101 2HG PRO 101 -13.606 -4.120 7.106 792 HD2 PRO 101 1HD PRO 101 -12.058 -2.628 8.836 793 HD3 PRO 101 2HD PRO 101 -11.593 -4.320 8.472 794 H LYS 102 H LYS 102 -8.777 -1.383 5.745 795 HA LYS 102 HA LYS 102 -10.109 0.911 4.379 796 HB2 LYS 102 1HB LYS 102 -8.134 2.191 4.707 797 HB3 LYS 102 2HB LYS 102 -8.760 1.465 6.164 798 HG2 LYS 102 1HG LYS 102 -6.887 -0.183 6.253 799 HG3 LYS 102 2HG LYS 102 -6.284 0.357 4.683 800 HD2 LYS 102 1HD LYS 102 -5.857 2.654 5.556 801 HD3 LYS 102 2HD LYS 102 -6.501 2.238 7.136 802 HE2 LYS 102 1HE LYS 102 -4.698 0.657 7.627 803 HE3 LYS 102 2HE LYS 102 -4.176 0.587 5.949 804 HZ1 LYS 102 3HZ LYS 102 -3.040 2.373 7.828 805 HZ2 LYS 102 1HZ LYS 102 -2.931 2.478 6.178 806 HZ3 LYS 102 2HZ LYS 102 -4.054 3.374 6.935 807 H GLN 103 H GLN 103 -10.688 0.184 2.446 808 HA GLN 103 HA GLN 103 -8.867 1.337 0.484 809 HB2 GLN 103 1HB GLN 103 -8.967 -0.274 -1.358 810 HB3 GLN 103 2HB GLN 103 -7.880 -0.667 -0.048 811 HG2 GLN 103 1HG GLN 103 -9.275 -2.490 0.769 812 HG3 GLN 103 2HG GLN 103 -10.651 -1.993 -0.169 813 HE21 GLN 103 1HE2 GLN 103 -7.217 -2.655 -1.098 814 HE22 GLN 103 2HE2 GLN 103 -7.763 -3.887 -2.346 815 H PHE 104 H PHE 104 -10.297 2.895 0.237 816 HA PHE 104 HA PHE 104 -13.096 2.455 -0.674 817 HD1 PHE 104 HD1 PHE 104 -11.195 4.404 2.277 818 HD2 PHE 104 HD2 PHE 104 -13.787 1.293 3.786 819 HE1 PHE 104 HE1 PHE 104 -10.259 4.696 4.502 820 HE2 PHE 104 HE2 PHE 104 -12.836 1.610 6.019 821 HZ PHE 104 HZ PHE 104 -11.075 3.316 6.400 822 HB2 PHE 104 1HB PHE 104 -14.239 3.076 1.473 823 HB3 PHE 104 2HB PHE 104 -13.513 1.500 1.393 824 H GLY 105 H GLY 105 -10.692 4.783 -0.122 825 HA2 GLY 105 1HA GLY 105 -12.533 7.154 0.101 826 HA3 GLY 105 2HA GLY 105 -10.806 7.209 -0.155 827 H ARG 106 H ARG 106 -13.524 6.021 -1.948 828 HA ARG 106 HA ARG 106 -13.241 7.746 -4.405 829 HE ARG 106 HE ARG 106 -13.477 3.563 -5.798 830 HB2 ARG 106 1HB ARG 106 -11.267 6.071 -4.391 831 HB3 ARG 106 2HB ARG 106 -12.398 4.754 -4.388 832 HG2 ARG 106 1HG ARG 106 -11.913 6.862 -6.598 833 HG3 ARG 106 2HG ARG 106 -11.281 5.243 -6.548 834 HD2 ARG 106 1HD ARG 106 -14.165 6.072 -7.109 835 HD3 ARG 106 2HD ARG 106 -13.011 5.284 -8.188 836 HH11 ARG 106 2HH2 ARG 106 -15.353 4.673 -8.516 837 HH12 ARG 106 1HH2 ARG 106 -16.486 3.246 -8.285 838 HH21 ARG 106 2HH1 ARG 106 -14.701 2.196 -5.566 839 HH22 ARG 106 1HH1 ARG 106 -16.104 1.835 -6.766 840 H ASN 107 H ASN 107 -15.208 7.680 -5.444 841 HA ASN 107 HA ASN 107 -17.523 7.176 -4.157 842 HB2 ASN 107 1HB ASN 107 -18.804 7.544 -6.060 843 HB3 ASN 107 2HB ASN 107 -17.365 8.514 -6.143 844 HD21 ASN 107 1HD2 ASN 107 -19.371 7.044 -8.110 845 HD22 ASN 107 2HD2 ASN 107 -18.168 6.596 -9.427 846 H LEU 108 H LEU 108 -17.836 5.422 -3.043 847 HA LEU 108 HA LEU 108 -17.241 2.792 -4.001 848 HG LEU 108 HG LEU 108 -18.120 1.113 -1.600 849 HB2 LEU 108 1HB LEU 108 -16.781 3.891 -1.752 850 HB3 LEU 108 2HB LEU 108 -18.477 3.670 -1.327 851 HD11 LEU 108 1HD1 LEU 108 -16.025 1.159 -3.024 852 HD12 LEU 108 2HD1 LEU 108 -15.141 1.990 -1.746 853 HD13 LEU 108 3HD1 LEU 108 -15.705 0.328 -1.496 854 HD21 LEU 108 3HD2 LEU 108 -16.406 2.635 0.484 855 HD22 LEU 108 1HD2 LEU 108 -18.136 2.248 0.634 856 HD23 LEU 108 2HD2 LEU 108 -16.936 0.942 0.616 857 H ALA 109 H ALA 109 -18.945 2.761 -5.691 858 HA ALA 109 HA ALA 109 -21.587 1.580 -4.777 859 HB1 ALA 109 3HB ALA 109 -20.729 2.440 -7.569 860 HB2 ALA 109 1HB ALA 109 -22.379 2.208 -6.966 861 HB3 ALA 109 2HB ALA 109 -21.398 3.572 -6.362 862 H ARG 110 H ARG 110 -21.238 -0.382 -4.385 863 HA ARG 110 HA ARG 110 -21.189 -2.312 -6.637 864 HE ARG 110 HE ARG 110 -17.203 -5.841 -4.973 865 HB2 ARG 110 1HB ARG 110 -18.744 -2.069 -6.023 866 HB3 ARG 110 2HB ARG 110 -19.038 -2.820 -4.469 867 HG2 ARG 110 1HG ARG 110 -19.860 -4.235 -7.089 868 HG3 ARG 110 2HG ARG 110 -18.164 -4.149 -6.684 869 HD2 ARG 110 1HD ARG 110 -20.274 -5.371 -4.798 870 HD3 ARG 110 2HD ARG 110 -19.484 -6.283 -6.022 871 HH11 ARG 110 2HH2 ARG 110 -20.043 -5.484 -2.904 872 HH12 ARG 110 1HH2 ARG 110 -18.975 -5.353 -1.422 873 HH21 ARG 110 2HH1 ARG 110 -16.091 -5.564 -3.318 874 HH22 ARG 110 1HH1 ARG 110 -16.846 -5.484 -1.639 875 H ASP 111 H ASP 111 -22.167 -4.207 -6.288 876 HA ASP 111 HA ASP 111 -24.379 -4.380 -4.510 877 HB2 ASP 111 1HB ASP 111 -24.601 -6.685 -5.486 878 HB3 ASP 111 2HB ASP 111 -24.491 -5.364 -6.617 879 H LYS 112 H LYS 112 -24.928 -5.872 -3.016 880 HA LYS 112 HA LYS 112 -22.749 -6.789 -1.068 881 HB2 LYS 112 1HB LYS 112 -24.334 -4.901 -0.328 882 HB3 LYS 112 2HB LYS 112 -25.655 -6.050 -0.333 883 HG2 LYS 112 1HG LYS 112 -23.066 -6.279 1.366 884 HG3 LYS 112 2HG LYS 112 -24.536 -5.467 1.869 885 HD2 LYS 112 1HD LYS 112 -25.803 -7.738 1.540 886 HD3 LYS 112 2HD LYS 112 -24.245 -8.473 1.250 887 HE2 LYS 112 1HE LYS 112 -24.656 -8.942 3.515 888 HE3 LYS 112 2HE LYS 112 -23.434 -7.676 3.558 889 HZ1 LYS 112 3HZ LYS 112 -25.291 -6.022 3.984 890 HZ2 LYS 112 1HZ LYS 112 -26.411 -7.213 3.926 891 HZ3 LYS 112 2HZ LYS 112 -25.310 -7.184 5.147 892 H LYS 113 H LYS 113 -22.855 -8.304 -2.826 893 HA LYS 113 HA LYS 113 -24.805 -10.651 -2.451 894 HB2 LYS 113 1HB LYS 113 -25.197 -8.963 -4.324 895 HB3 LYS 113 2HB LYS 113 -23.621 -9.344 -4.987 896 HG2 LYS 113 1HG LYS 113 -24.496 -11.803 -5.315 897 HG3 LYS 113 2HG LYS 113 -26.086 -11.197 -4.823 898 HD2 LYS 113 1HD LYS 113 -25.898 -9.406 -6.685 899 HD3 LYS 113 2HD LYS 113 -24.353 -10.112 -7.157 900 HE2 LYS 113 1HE LYS 113 -25.598 -12.369 -7.568 901 HE3 LYS 113 2HE LYS 113 -27.119 -11.529 -7.229 902 HZ1 LYS 113 3HZ LYS 113 -26.667 -11.399 -9.666 903 HZ2 LYS 113 1HZ LYS 113 -26.420 -9.880 -9.073 904 HZ3 LYS 113 2HZ LYS 113 -25.132 -10.845 -9.417 905 H LYS 114 H LYS 114 -23.985 -12.641 -2.350 906 HA LYS 114 HA LYS 114 -21.055 -13.234 -2.940 907 HB2 LYS 114 1HB LYS 114 -22.183 -14.104 -0.855 908 HB3 LYS 114 2HB LYS 114 -23.263 -15.085 -1.850 909 HG2 LYS 114 1HG LYS 114 -21.186 -16.270 -2.829 910 HG3 LYS 114 2HG LYS 114 -20.171 -15.310 -1.748 911 HD2 LYS 114 1HD LYS 114 -21.451 -16.254 0.249 912 HD3 LYS 114 2HD LYS 114 -22.425 -17.241 -0.829 913 HE2 LYS 114 1HE LYS 114 -19.328 -17.425 -0.602 914 HE3 LYS 114 2HE LYS 114 -20.440 -18.394 0.352 915 HZ1 LYS 114 3HZ LYS 114 -20.381 -18.507 -2.693 916 HZ2 LYS 114 1HZ LYS 114 -19.642 -19.615 -1.710 917 HZ3 LYS 114 2HZ LYS 114 -21.284 -19.464 -1.741 918 H GLN 115 H GLN 115 -21.529 -12.596 -5.205 919 HA GLN 115 HA GLN 115 -22.901 -14.555 -6.961 920 HB2 GLN 115 1HB GLN 115 -22.628 -12.037 -7.317 921 HB3 GLN 115 2HB GLN 115 -20.946 -12.321 -7.770 922 HG2 GLN 115 1HG GLN 115 -21.731 -13.803 -9.693 923 HG3 GLN 115 2HG GLN 115 -23.395 -13.575 -9.194 924 HE21 GLN 115 1HE2 GLN 115 -20.800 -12.172 -10.952 925 HE22 GLN 115 2HE2 GLN 115 -21.760 -10.687 -11.456 926 H ARG 116 H ARG 116 -21.602 -16.235 -5.771 927 HA ARG 116 HA ARG 116 -19.831 -17.665 -7.633 928 HE ARG 116 HE ARG 116 -15.463 -19.312 -7.551 929 HB2 ARG 116 1HB ARG 116 -18.248 -15.884 -6.443 930 HB3 ARG 116 2HB ARG 116 -18.378 -16.859 -5.007 931 HG2 ARG 116 1HG ARG 116 -17.432 -17.889 -7.778 932 HG3 ARG 116 2HG ARG 116 -16.369 -17.126 -6.607 933 HD2 ARG 116 1HD ARG 116 -16.795 -18.941 -4.924 934 HD3 ARG 116 2HD ARG 116 -17.876 -19.777 -6.055 935 HH11 ARG 116 2HH2 ARG 116 -16.277 -21.163 -4.615 936 HH12 ARG 116 1HH2 ARG 116 -14.799 -22.213 -4.916 937 HH21 ARG 116 2HH1 ARG 116 -13.878 -20.588 -7.778 938 HH22 ARG 116 1HH1 ARG 116 -13.564 -21.924 -6.587 939 H GLY 117 H GLY 117 -21.021 -19.413 -7.331 940 HA2 GLY 117 1HA GLY 117 -22.835 -20.117 -5.425 941 HA3 GLY 117 2HA GLY 117 -22.052 -21.377 -6.341 942 H ARG 118 H ARG 118 -19.890 -22.012 -5.368 943 HA ARG 118 HA ARG 118 -20.170 -22.543 -2.372 944 HE ARG 118 HE ARG 118 -19.752 -26.534 -2.651 945 HB2 ARG 118 1HB ARG 118 -19.664 -24.464 -3.928 946 HB3 ARG 118 2HB ARG 118 -18.129 -23.715 -4.367 947 HG2 ARG 118 1HG ARG 118 -17.358 -23.826 -1.983 948 HG3 ARG 118 2HG ARG 118 -18.899 -24.465 -1.454 949 HD2 ARG 118 1HD ARG 118 -17.038 -25.891 -3.487 950 HD3 ARG 118 2HD ARG 118 -17.001 -26.153 -1.728 951 HH11 ARG 118 2HH2 ARG 118 -16.679 -28.152 -2.822 952 HH12 ARG 118 1HH2 ARG 118 -17.466 -29.792 -3.007 953 HH21 ARG 118 2HH1 ARG 118 -20.614 -28.410 -2.850 954 HH22 ARG 118 1HH1 ARG 118 -19.595 -29.906 -3.021 Start of MODEL 6 1 HA MET 1 HA MET 1 28.439 -15.686 1.029 2 H1 MET 1 1H MET 1 30.758 -14.228 -0.183 3 H2 MET 1 2H MET 1 29.190 -13.788 -0.497 4 H3 MET 1 3H MET 1 29.807 -13.725 1.043 5 HB2 MET 1 1HB MET 1 28.578 -17.394 -0.622 6 HB3 MET 1 2HB MET 1 28.254 -15.869 -1.384 7 HG2 MET 1 1HG MET 1 31.038 -17.249 -1.439 8 HG3 MET 1 2HG MET 1 29.775 -17.360 -2.669 9 HE1 MET 1 3HE MET 1 32.099 -15.095 -4.672 10 HE2 MET 1 1HE MET 1 32.369 -16.630 -3.799 11 HE3 MET 1 2HE MET 1 30.874 -16.391 -4.752 12 H ALA 2 H ALA 2 30.428 -18.091 0.452 13 HA ALA 2 HA ALA 2 31.703 -17.946 3.191 14 HB1 ALA 2 3HB ALA 2 30.529 -20.026 2.499 15 HB2 ALA 2 1HB ALA 2 31.615 -20.222 1.099 16 HB3 ALA 2 2HB ALA 2 32.253 -20.342 2.750 17 H GLY 3 H GLY 3 33.629 -17.038 3.346 18 HA2 GLY 3 1HA GLY 3 36.047 -16.802 2.971 19 HA3 GLY 3 2HA GLY 3 35.924 -17.630 1.435 20 H SER 4 H SER 4 34.541 -16.328 -0.174 21 HA SER 4 HA SER 4 35.739 -13.554 -0.497 22 HG SER 4 HG SER 4 34.838 -13.591 -3.856 23 HB2 SER 4 1HB SER 4 35.704 -15.089 -2.433 24 HB3 SER 4 2HB SER 4 33.934 -15.187 -2.385 25 H GLY 5 H GLY 5 34.759 -12.214 0.821 26 HA2 GLY 5 1HA GLY 5 32.062 -12.294 1.816 27 HA3 GLY 5 2HA GLY 5 33.136 -10.938 2.007 28 H ILE 6 H ILE 6 31.792 -11.992 -1.035 29 HA ILE 6 HA ILE 6 30.170 -9.461 -1.313 30 HB ILE 6 HB ILE 6 31.384 -9.980 -3.232 31 HG12 ILE 6 1HG1 ILE 6 29.602 -10.001 -5.002 32 HG13 ILE 6 2HG1 ILE 6 28.379 -10.410 -3.810 33 HG21 ILE 6 1HG2 ILE 6 31.047 -11.905 -4.715 34 HG22 ILE 6 2HG2 ILE 6 31.543 -12.445 -3.101 35 HG23 ILE 6 3HG2 ILE 6 29.849 -12.632 -3.613 36 HD11 ILE 6 3HD1 ILE 6 30.088 -7.817 -3.781 37 HD12 ILE 6 1HD1 ILE 6 28.423 -7.962 -4.379 38 HD13 ILE 6 2HD1 ILE 6 28.756 -8.182 -2.655 39 H ILE 7 H ILE 7 28.668 -9.638 0.169 40 HA ILE 7 HA ILE 7 26.933 -11.997 0.533 41 HB ILE 7 HB ILE 7 27.660 -10.675 2.396 42 HG12 ILE 7 1HG1 ILE 7 25.532 -10.504 3.683 43 HG13 ILE 7 2HG1 ILE 7 24.582 -10.671 2.214 44 HG21 ILE 7 1HG2 ILE 7 26.690 -8.513 3.066 45 HG22 ILE 7 2HG2 ILE 7 27.501 -8.313 1.509 46 HG23 ILE 7 3HG2 ILE 7 25.731 -8.399 1.573 47 HD11 ILE 7 3HD1 ILE 7 24.771 -12.811 3.537 48 HD12 ILE 7 1HD1 ILE 7 25.437 -13.032 1.913 49 HD13 ILE 7 2HD1 ILE 7 26.530 -12.828 3.309 50 H TYR 8 H TYR 8 26.345 -12.115 -1.689 51 HA TYR 8 HA TYR 8 24.077 -10.510 -2.694 52 HD1 TYR 8 HD1 TYR 8 23.645 -14.668 -3.918 53 HD2 TYR 8 HD2 TYR 8 27.447 -12.647 -4.022 54 HE1 TYR 8 HE1 TYR 8 24.796 -16.830 -4.050 55 HE2 TYR 8 HE2 TYR 8 28.587 -14.823 -4.176 56 HH TYR 8 HH TYR 8 26.771 -17.861 -4.298 57 HB2 TYR 8 1HB TYR 8 23.857 -12.143 -4.512 58 HB3 TYR 8 2HB TYR 8 25.396 -11.362 -4.353 59 H LYS 9 H LYS 9 22.187 -10.505 -1.799 60 HA LYS 9 HA LYS 9 20.674 -13.040 -1.191 61 HB2 LYS 9 1HB LYS 9 20.106 -12.480 1.094 62 HB3 LYS 9 2HB LYS 9 21.817 -12.793 0.881 63 HG2 LYS 9 1HG LYS 9 22.348 -10.350 0.977 64 HG3 LYS 9 2HG LYS 9 20.658 -9.926 1.138 65 HD2 LYS 9 1HD LYS 9 22.206 -11.709 3.142 66 HD3 LYS 9 2HD LYS 9 22.076 -9.958 3.263 67 HE2 LYS 9 1HE LYS 9 19.530 -10.130 3.382 68 HE3 LYS 9 2HE LYS 9 19.645 -11.890 3.314 69 HZ1 LYS 9 3HZ LYS 9 19.578 -11.109 5.682 70 HZ2 LYS 9 1HZ LYS 9 21.033 -11.819 5.397 71 HZ3 LYS 9 2HZ LYS 9 20.920 -10.186 5.464 72 H GLN 10 H GLN 10 18.673 -12.820 -1.901 73 HA GLN 10 HA GLN 10 17.687 -10.136 -2.789 74 HB2 GLN 10 1HB GLN 10 17.608 -12.152 -4.237 75 HB3 GLN 10 2HB GLN 10 16.476 -12.942 -3.132 76 HG2 GLN 10 1HG GLN 10 14.789 -11.040 -3.582 77 HG3 GLN 10 2HG GLN 10 15.951 -10.298 -4.665 78 HE21 GLN 10 1HE2 GLN 10 13.900 -13.156 -4.249 79 HE22 GLN 10 2HE2 GLN 10 13.907 -13.527 -6.053 80 HA PRO 11 HA PRO 11 15.052 -10.087 1.082 81 HB2 PRO 11 1HB PRO 11 14.366 -7.432 1.160 82 HB3 PRO 11 2HB PRO 11 16.025 -8.006 1.451 83 HG2 PRO 11 1HG PRO 11 14.869 -6.920 -1.193 84 HG3 PRO 11 2HG PRO 11 16.349 -6.367 -0.365 85 HD2 PRO 11 1HD PRO 11 16.403 -8.251 -2.423 86 HD3 PRO 11 2HD PRO 11 17.586 -8.319 -1.079 87 H ILE 12 H ILE 12 13.772 -11.542 -0.292 88 HA ILE 12 HA ILE 12 11.424 -10.439 -1.718 89 HB ILE 12 HB ILE 12 12.686 -12.290 -2.571 90 HG12 ILE 12 1HG1 ILE 12 10.806 -13.813 -3.276 91 HG13 ILE 12 2HG1 ILE 12 9.731 -13.049 -2.119 92 HG21 ILE 12 1HG2 ILE 12 12.472 -14.627 -1.796 93 HG22 ILE 12 2HG2 ILE 12 13.178 -13.650 -0.503 94 HG23 ILE 12 3HG2 ILE 12 11.476 -14.141 -0.407 95 HD11 ILE 12 3HD1 ILE 12 11.129 -11.586 -4.477 96 HD12 ILE 12 1HD1 ILE 12 9.454 -12.175 -4.463 97 HD13 ILE 12 2HD1 ILE 12 9.926 -10.856 -3.384 98 H TYR 13 H TYR 13 10.723 -9.255 0.127 99 HA TYR 13 HA TYR 13 8.195 -10.508 1.055 100 HD1 TYR 13 HD1 TYR 13 7.091 -11.716 2.924 101 HD2 TYR 13 HD2 TYR 13 8.835 -8.319 4.927 102 HE1 TYR 13 HE1 TYR 13 5.155 -11.603 4.436 103 HE2 TYR 13 HE2 TYR 13 6.896 -8.238 6.443 104 HH TYR 13 HH TYR 13 4.011 -10.217 5.962 105 HB2 TYR 13 1HB TYR 13 9.787 -11.067 2.935 106 HB3 TYR 13 2HB TYR 13 10.118 -9.364 3.181 107 H GLN 14 H GLN 14 6.632 -9.110 0.884 108 HA GLN 14 HA GLN 14 7.011 -6.470 -0.166 109 HB2 GLN 14 1HB GLN 14 4.769 -6.251 -0.436 110 HB3 GLN 14 2HB GLN 14 5.067 -7.960 -0.554 111 HG2 GLN 14 1HG GLN 14 3.772 -6.391 1.740 112 HG3 GLN 14 2HG GLN 14 2.964 -7.431 0.615 113 HE21 GLN 14 1HE2 GLN 14 3.756 -9.799 0.791 114 HE22 GLN 14 2HE2 GLN 14 3.670 -10.346 2.537 115 H GLY 15 H GLY 15 7.205 -7.148 3.079 116 HA2 GLY 15 1HA GLY 15 6.713 -4.600 4.438 117 HA3 GLY 15 2HA GLY 15 8.021 -5.695 4.837 118 H ASN 16 H ASN 16 9.311 -5.330 2.188 119 HA ASN 16 HA ASN 16 10.810 -2.821 2.541 120 HB2 ASN 16 1HB ASN 16 10.503 -4.683 0.100 121 HB3 ASN 16 2HB ASN 16 11.498 -3.249 0.046 122 HD21 ASN 16 1HD2 ASN 16 13.435 -3.189 1.328 123 HD22 ASN 16 2HD2 ASN 16 14.110 -4.777 1.973 124 H LEU 17 H LEU 17 8.013 -3.482 0.353 125 HA LEU 17 HA LEU 17 7.764 -0.471 -0.031 126 HG LEU 17 HG LEU 17 5.752 -2.606 -2.627 127 HB2 LEU 17 1HB LEU 17 7.092 -0.687 -2.181 128 HB3 LEU 17 2HB LEU 17 8.569 -1.580 -1.963 129 HD11 LEU 17 1HD1 LEU 17 7.213 -1.652 -4.446 130 HD12 LEU 17 2HD1 LEU 17 8.481 -2.839 -4.044 131 HD13 LEU 17 3HD1 LEU 17 6.912 -3.386 -4.689 132 HD21 LEU 17 3HD2 LEU 17 8.199 -4.402 -1.986 133 HD22 LEU 17 1HD2 LEU 17 6.673 -4.361 -1.075 134 HD23 LEU 17 2HD2 LEU 17 6.680 -4.934 -2.745 135 H ILE 18 H ILE 18 5.242 -2.820 -0.815 136 HA ILE 18 HA ILE 18 3.392 -1.119 0.843 137 HB ILE 18 HB ILE 18 3.104 -2.817 -1.664 138 HG12 ILE 18 1HG1 ILE 18 3.799 -0.394 -1.687 139 HG13 ILE 18 2HG1 ILE 18 2.356 -0.735 -2.605 140 HG21 ILE 18 1HG2 ILE 18 1.056 -3.595 -0.579 141 HG22 ILE 18 2HG2 ILE 18 0.652 -1.962 -0.006 142 HG23 ILE 18 3HG2 ILE 18 0.627 -2.339 -1.745 143 HD11 ILE 18 3HD1 ILE 18 0.921 0.406 -1.069 144 HD12 ILE 18 1HD1 ILE 18 1.989 0.274 0.292 145 HD13 ILE 18 2HD1 ILE 18 2.414 1.389 -0.985 146 H LYS 19 H LYS 19 3.574 -1.858 2.840 147 HA LYS 19 HA LYS 19 1.177 -3.484 3.190 148 HB2 LYS 19 1HB LYS 19 1.695 -5.002 4.914 149 HB3 LYS 19 2HB LYS 19 2.797 -5.311 3.588 150 HG2 LYS 19 1HG LYS 19 4.566 -3.915 4.871 151 HG3 LYS 19 2HG LYS 19 3.482 -3.885 6.243 152 HD2 LYS 19 1HD LYS 19 4.850 -6.334 4.963 153 HD3 LYS 19 2HD LYS 19 5.242 -5.554 6.462 154 HE2 LYS 19 1HE LYS 19 4.168 -7.448 7.222 155 HE3 LYS 19 2HE LYS 19 2.861 -6.271 7.364 156 HZ1 LYS 19 3HZ LYS 19 3.164 -7.737 4.771 157 HZ2 LYS 19 1HZ LYS 19 2.615 -8.660 5.944 158 HZ3 LYS 19 2HZ LYS 19 1.718 -7.337 5.506 159 H GLN 20 H GLN 20 -0.114 -2.339 4.520 160 HA GLN 20 HA GLN 20 0.425 0.210 5.395 161 HB2 GLN 20 1HB GLN 20 -1.767 -0.846 5.157 162 HB3 GLN 20 2HB GLN 20 -1.600 -1.692 6.702 163 HG2 GLN 20 1HG GLN 20 -1.646 0.581 7.879 164 HG3 GLN 20 2HG GLN 20 -1.700 1.389 6.325 165 HE21 GLN 20 1HE2 GLN 20 -3.702 1.685 5.457 166 HE22 GLN 20 2HE2 GLN 20 -5.162 0.666 5.841 167 H ASN 21 H ASN 21 1.199 -2.473 7.555 168 HA ASN 21 HA ASN 21 2.061 -0.761 9.837 169 HB2 ASN 21 1HB ASN 21 1.606 -3.260 9.997 170 HB3 ASN 21 2HB ASN 21 3.019 -3.599 9.030 171 HD21 ASN 21 1HD2 ASN 21 5.066 -3.454 10.096 172 HD22 ASN 21 2HD2 ASN 21 5.135 -3.183 11.912 173 H ALA 22 H ALA 22 3.821 -1.941 6.959 174 HA ALA 22 HA ALA 22 6.417 -0.625 7.722 175 HB1 ALA 22 3HB ALA 22 6.446 -2.704 6.321 176 HB2 ALA 22 1HB ALA 22 5.559 -1.854 5.024 177 HB3 ALA 22 2HB ALA 22 7.185 -1.331 5.486 178 H VAL 23 H VAL 23 3.674 0.120 5.481 179 HA VAL 23 HA VAL 23 4.847 2.662 4.603 180 HB VAL 23 HB VAL 23 1.852 1.995 4.562 181 HG11 VAL 23 1HG1 VAL 23 1.912 3.643 2.559 182 HG12 VAL 23 2HG1 VAL 23 2.189 4.411 4.147 183 HG13 VAL 23 3HG1 VAL 23 3.551 4.109 3.050 184 HG21 VAL 23 3HG2 VAL 23 2.437 1.514 2.014 185 HG22 VAL 23 1HG2 VAL 23 4.111 1.298 2.579 186 HG23 VAL 23 2HG2 VAL 23 2.845 0.261 3.223 187 H GLU 24 H GLU 24 2.772 2.009 7.453 188 HA GLU 24 HA GLU 24 2.931 4.861 8.335 189 HB2 GLU 24 1HB GLU 24 1.144 3.175 8.999 190 HB3 GLU 24 2HB GLU 24 2.310 2.358 10.021 191 HG2 GLU 24 1HG GLU 24 1.528 5.354 10.309 192 HG3 GLU 24 2HG GLU 24 0.676 4.042 11.097 193 H GLN 25 H GLN 25 4.765 1.912 9.215 194 HA GLN 25 HA GLN 25 6.531 3.277 11.116 195 HB2 GLN 25 1HB GLN 25 5.913 0.895 11.175 196 HB3 GLN 25 2HB GLN 25 6.815 0.548 9.718 197 HG2 GLN 25 1HG GLN 25 8.280 1.756 12.160 198 HG3 GLN 25 2HG GLN 25 7.713 0.109 12.225 199 HE21 GLN 25 1HE2 GLN 25 9.957 2.190 10.508 200 HE22 GLN 25 2HE2 GLN 25 10.963 0.762 9.930 201 H LEU 26 H LEU 26 7.017 2.862 7.584 202 HA LEU 26 HA LEU 26 9.713 3.826 7.486 203 HG LEU 26 HG LEU 26 6.387 4.109 5.680 204 HB2 LEU 26 1HB LEU 26 9.399 4.550 5.252 205 HB3 LEU 26 2HB LEU 26 8.690 2.990 5.588 206 HD11 LEU 26 1HD1 LEU 26 7.807 6.402 4.163 207 HD12 LEU 26 2HD1 LEU 26 6.050 6.172 4.341 208 HD13 LEU 26 3HD1 LEU 26 7.014 6.575 5.741 209 HD21 LEU 26 3HD2 LEU 26 8.016 4.027 3.055 210 HD22 LEU 26 1HD2 LEU 26 7.062 2.691 3.780 211 HD23 LEU 26 2HD2 LEU 26 6.240 4.106 3.132 212 H GLN 27 H GLN 27 6.977 5.711 8.378 213 HA GLN 27 HA GLN 27 6.703 8.017 8.870 214 HB2 GLN 27 1HB GLN 27 7.873 6.355 10.689 215 HB3 GLN 27 2HB GLN 27 9.136 7.541 10.610 216 HG2 GLN 27 1HG GLN 27 7.705 8.220 12.415 217 HG3 GLN 27 2HG GLN 27 7.336 9.359 11.141 218 HE21 GLN 27 1HE2 GLN 27 6.202 6.319 12.557 219 HE22 GLN 27 2HE2 GLN 27 4.438 6.589 12.134 220 H VAL 28 H VAL 28 7.790 8.300 6.546 221 HA VAL 28 HA VAL 28 10.201 10.038 6.556 222 HB VAL 28 HB VAL 28 8.294 9.176 4.278 223 HG11 VAL 28 1HG1 VAL 28 9.415 11.273 3.513 224 HG12 VAL 28 2HG1 VAL 28 11.013 10.645 3.998 225 HG13 VAL 28 3HG1 VAL 28 10.097 9.882 2.672 226 HG21 VAL 28 3HG2 VAL 28 10.216 7.684 3.604 227 HG22 VAL 28 1HG2 VAL 28 11.156 8.211 5.024 228 HG23 VAL 28 2HG2 VAL 28 9.665 7.272 5.228 229 H GLY 29 H GLY 29 10.303 12.162 6.611 230 HA2 GLY 29 1HA GLY 29 7.966 13.920 5.656 231 HA3 GLY 29 2HA GLY 29 8.803 14.335 7.128 232 H GLN 30 H GLN 30 10.038 13.175 4.048 233 HA GLN 30 HA GLN 30 11.762 15.685 3.760 234 HB2 GLN 30 1HB GLN 30 12.837 13.783 4.980 235 HB3 GLN 30 2HB GLN 30 12.623 12.727 3.595 236 HG2 GLN 30 1HG GLN 30 14.908 13.470 3.681 237 HG3 GLN 30 2HG GLN 30 14.195 14.099 2.220 238 HE21 GLN 30 1HE2 GLN 30 13.740 16.438 2.177 239 HE22 GLN 30 2HE2 GLN 30 14.720 17.504 3.317 240 H SER 31 H SER 31 10.687 12.856 1.751 241 HA SER 31 HA SER 31 10.852 14.707 -0.645 242 HG SER 31 HG SER 31 11.883 13.997 -2.640 243 HB2 SER 31 1HB SER 31 13.098 13.861 -0.539 244 HB3 SER 31 2HB SER 31 12.567 12.182 -0.457 245 H LYS 32 H LYS 32 9.125 14.587 -1.612 246 HA LYS 32 HA LYS 32 7.136 12.525 -1.933 247 HB2 LYS 32 1HB LYS 32 6.311 13.795 -3.878 248 HB3 LYS 32 2HB LYS 32 6.607 14.781 -2.463 249 HG2 LYS 32 1HG LYS 32 8.688 15.698 -3.395 250 HG3 LYS 32 2HG LYS 32 8.598 14.681 -4.816 251 HD2 LYS 32 1HD LYS 32 6.563 15.776 -5.615 252 HD3 LYS 32 2HD LYS 32 6.349 16.666 -4.120 253 HE2 LYS 32 1HE LYS 32 7.223 18.017 -6.046 254 HE3 LYS 32 2HE LYS 32 8.139 18.191 -4.563 255 HZ1 LYS 32 3HZ LYS 32 9.460 17.922 -6.708 256 HZ2 LYS 32 1HZ LYS 32 9.970 16.928 -5.463 257 HZ3 LYS 32 2HZ LYS 32 9.019 16.319 -6.737 258 H GLN 33 H GLN 33 9.916 13.069 -4.041 259 HA GLN 33 HA GLN 33 9.197 10.809 -5.879 260 HB2 GLN 33 1HB GLN 33 10.296 12.763 -6.735 261 HB3 GLN 33 2HB GLN 33 11.660 12.639 -5.627 262 HG2 GLN 33 1HG GLN 33 12.640 10.782 -6.759 263 HG3 GLN 33 2HG GLN 33 11.155 10.297 -7.529 264 HE21 GLN 33 1HE2 GLN 33 13.665 12.803 -7.642 265 HE22 GLN 33 2HE2 GLN 33 13.332 13.180 -9.413 266 H GLN 34 H GLN 34 11.324 11.044 -3.094 267 HA GLN 34 HA GLN 34 12.438 8.276 -3.380 268 HB2 GLN 34 1HB GLN 34 12.250 10.057 -0.880 269 HB3 GLN 34 2HB GLN 34 13.041 8.501 -0.923 270 HG2 GLN 34 1HG GLN 34 13.918 10.973 -2.559 271 HG3 GLN 34 2HG GLN 34 14.612 10.424 -1.058 272 HE21 GLN 34 1HE2 GLN 34 14.709 10.019 -4.444 273 HE22 GLN 34 2HE2 GLN 34 15.965 8.668 -4.397 274 H VAL 35 H VAL 35 9.716 9.629 -1.388 275 HA VAL 35 HA VAL 35 8.971 6.945 -0.424 276 HB VAL 35 HB VAL 35 8.471 9.084 0.783 277 HG11 VAL 35 1HG1 VAL 35 7.454 10.454 -1.090 278 HG12 VAL 35 2HG1 VAL 35 6.044 9.396 -1.113 279 HG13 VAL 35 3HG1 VAL 35 6.409 10.361 0.334 280 HG21 VAL 35 3HG2 VAL 35 7.384 6.881 1.406 281 HG22 VAL 35 1HG2 VAL 35 6.387 8.296 1.802 282 HG23 VAL 35 2HG2 VAL 35 5.998 7.311 0.374 283 H SER 36 H SER 36 7.825 8.787 -3.222 284 HA SER 36 HA SER 36 5.861 6.672 -4.065 285 HG SER 36 HG SER 36 5.422 8.694 -7.044 286 HB2 SER 36 1HB SER 36 5.769 9.140 -4.831 287 HB3 SER 36 2HB SER 36 7.305 8.934 -5.674 288 H ALA 37 H ALA 37 9.271 7.264 -5.002 289 HA ALA 37 HA ALA 37 9.339 4.949 -6.827 290 HB1 ALA 37 3HB ALA 37 11.854 5.250 -6.696 291 HB2 ALA 37 1HB ALA 37 11.029 6.803 -6.938 292 HB3 ALA 37 2HB ALA 37 11.644 6.367 -5.327 293 H LEU 38 H LEU 38 10.116 5.191 -3.368 294 HA LEU 38 HA LEU 38 10.861 2.310 -3.091 295 HG LEU 38 HG LEU 38 12.547 2.475 -1.253 296 HB2 LEU 38 1HB LEU 38 10.275 4.576 -1.098 297 HB3 LEU 38 2HB LEU 38 10.230 2.924 -0.533 298 HD11 LEU 38 1HD1 LEU 38 12.879 4.225 -3.070 299 HD12 LEU 38 2HD1 LEU 38 12.754 5.511 -1.851 300 HD13 LEU 38 3HD1 LEU 38 14.099 4.355 -1.796 301 HD21 LEU 38 3HD2 LEU 38 13.572 3.839 0.604 302 HD22 LEU 38 1HD2 LEU 38 12.154 4.917 0.612 303 HD23 LEU 38 2HD2 LEU 38 11.987 3.206 1.080 304 H LEU 39 H LEU 39 7.776 4.053 -2.395 305 HA LEU 39 HA LEU 39 6.295 1.597 -1.670 306 HG LEU 39 HG LEU 39 6.309 4.175 -0.250 307 HB2 LEU 39 1HB LEU 39 5.471 4.385 -2.713 308 HB3 LEU 39 2HB LEU 39 4.287 3.171 -2.328 309 HD11 LEU 39 1HD1 LEU 39 4.842 6.035 -0.996 310 HD12 LEU 39 2HD1 LEU 39 3.380 5.055 -0.794 311 HD13 LEU 39 3HD1 LEU 39 4.343 5.523 0.628 312 HD21 LEU 39 3HD2 LEU 39 3.621 2.719 0.234 313 HD22 LEU 39 1HD2 LEU 39 5.139 1.827 0.190 314 HD23 LEU 39 2HD2 LEU 39 4.896 3.073 1.408 315 H GLY 40 H GLY 40 6.893 3.021 -4.780 316 HA2 GLY 40 1HA GLY 40 6.837 1.511 -6.860 317 HA3 GLY 40 2HA GLY 40 5.564 0.565 -6.130 318 H THR 41 H THR 41 6.069 4.021 -6.764 319 HA THR 41 HA THR 41 3.512 4.187 -8.409 320 HB THR 41 HB THR 41 4.449 5.907 -6.021 321 HG1 THR 41 HG1 THR 41 3.260 3.825 -5.868 322 HG21 THR 41 3HG2 THR 41 2.341 7.184 -6.242 323 HG22 THR 41 1HG2 THR 41 3.338 7.472 -7.643 324 HG23 THR 41 2HG2 THR 41 1.940 6.377 -7.756 325 HA PRO 42 HA PRO 42 6.400 6.782 -11.012 326 HB2 PRO 42 1HB PRO 42 4.548 8.294 -12.458 327 HB3 PRO 42 2HB PRO 42 4.917 6.585 -12.770 328 HG2 PRO 42 1HG PRO 42 2.615 7.715 -11.078 329 HG3 PRO 42 2HG PRO 42 2.486 6.527 -12.405 330 HD2 PRO 42 1HD PRO 42 2.564 5.728 -9.765 331 HD3 PRO 42 2HD PRO 42 3.418 4.740 -10.969 332 H SER 43 H SER 43 7.344 8.849 -10.807 333 HA SER 43 HA SER 43 6.742 10.083 -8.182 334 HG SER 43 HG SER 43 10.138 11.114 -10.103 335 HB2 SER 43 1HB SER 43 8.956 11.010 -8.326 336 HB3 SER 43 2HB SER 43 9.029 9.316 -8.793 337 H ILE 44 H ILE 44 7.282 12.315 -8.040 338 HA ILE 44 HA ILE 44 5.801 14.163 -10.014 339 HB ILE 44 HB ILE 44 5.535 14.283 -6.946 340 HG12 ILE 44 1HG1 ILE 44 3.364 13.951 -9.128 341 HG13 ILE 44 2HG1 ILE 44 4.031 12.612 -8.212 342 HG21 ILE 44 1HG2 ILE 44 5.751 16.621 -7.958 343 HG22 ILE 44 2HG2 ILE 44 4.461 16.234 -9.111 344 HG23 ILE 44 3HG2 ILE 44 4.116 16.344 -7.366 345 HD11 ILE 44 3HD1 ILE 44 2.417 14.935 -6.983 346 HD12 ILE 44 1HD1 ILE 44 1.927 13.246 -7.176 347 HD13 ILE 44 2HD1 ILE 44 3.229 13.669 -6.036 348 HA PRO 45 HA PRO 45 10.178 15.624 -9.130 349 HB2 PRO 45 1HB PRO 45 11.210 15.721 -11.667 350 HB3 PRO 45 2HB PRO 45 10.790 14.168 -10.906 351 HG2 PRO 45 1HG PRO 45 9.027 15.819 -12.838 352 HG3 PRO 45 2HG PRO 45 9.511 14.110 -13.031 353 HD2 PRO 45 1HD PRO 45 7.086 14.863 -11.831 354 HD3 PRO 45 2HD PRO 45 7.968 13.383 -11.342 355 H ASP 46 H ASP 46 8.134 17.229 -8.904 356 HA ASP 46 HA ASP 46 8.545 19.812 -10.392 357 HB2 ASP 46 1HB ASP 46 6.300 18.793 -8.555 358 HB3 ASP 46 2HB ASP 46 6.315 20.379 -9.306 359 HA PRO 47 HA PRO 47 10.452 21.339 -6.426 360 HB2 PRO 47 1HB PRO 47 12.466 22.906 -7.439 361 HB3 PRO 47 2HB PRO 47 12.484 21.139 -7.639 362 HG2 PRO 47 1HG PRO 47 11.416 23.207 -9.681 363 HG3 PRO 47 2HG PRO 47 12.681 21.983 -9.975 364 HD2 PRO 47 1HD PRO 47 10.022 21.488 -10.596 365 HD3 PRO 47 2HD PRO 47 11.071 20.178 -9.973 366 H PHE 48 H PHE 48 8.471 23.105 -8.489 367 HA PHE 48 HA PHE 48 9.016 25.815 -7.305 368 HD1 PHE 48 HD1 PHE 48 9.054 27.885 -9.272 369 HD2 PHE 48 HD2 PHE 48 5.027 26.549 -8.515 370 HE1 PHE 48 HE1 PHE 48 8.270 30.219 -9.270 371 HE2 PHE 48 HE2 PHE 48 4.259 28.888 -8.516 372 HZ PHE 48 HZ PHE 48 5.875 30.729 -8.891 373 HB2 PHE 48 1HB PHE 48 8.353 25.463 -9.679 374 HB3 PHE 48 2HB PHE 48 6.768 24.903 -9.205 375 H HIS 49 H HIS 49 5.897 24.086 -7.296 376 HA HIS 49 HA HIS 49 5.767 24.113 -4.342 377 HD1 HIS 49 HD1 HIS 49 4.965 25.472 -2.039 378 HD2 HIS 49 HD2 HIS 49 1.460 25.191 -4.472 379 HE1 HIS 49 HE1 HIS 49 2.915 24.976 -0.587 380 HB2 HIS 49 1HB HIS 49 5.054 26.469 -4.776 381 HB3 HIS 49 2HB HIS 49 3.712 25.915 -5.772 382 H ALA 50 H ALA 50 5.783 21.934 -4.961 383 HA ALA 50 HA ALA 50 3.440 20.737 -6.364 384 HB1 ALA 50 3HB ALA 50 5.870 19.482 -4.985 385 HB2 ALA 50 1HB ALA 50 4.698 18.612 -6.009 386 HB3 ALA 50 2HB ALA 50 5.678 19.917 -6.706 387 H GLN 51 H GLN 51 1.649 20.557 -5.394 388 HA GLN 51 HA GLN 51 1.269 19.955 -2.454 389 HB2 GLN 51 1HB GLN 51 -0.705 20.513 -4.770 390 HB3 GLN 51 2HB GLN 51 -1.231 20.175 -3.136 391 HG2 GLN 51 1HG GLN 51 0.140 22.121 -2.251 392 HG3 GLN 51 2HG GLN 51 0.551 22.556 -3.904 393 HE21 GLN 51 1HE2 GLN 51 -0.514 24.490 -2.734 394 HE22 GLN 51 2HE2 GLN 51 -2.314 24.669 -3.104 395 H ARG 52 H ARG 52 -0.975 18.438 -2.426 396 HA ARG 52 HA ARG 52 0.247 15.959 -1.947 397 HE ARG 52 HE ARG 52 -5.594 16.154 -3.275 398 HB2 ARG 52 1HB ARG 52 -1.749 15.252 -1.001 399 HB3 ARG 52 2HB ARG 52 -1.764 16.977 -0.819 400 HG2 ARG 52 1HG ARG 52 -3.379 15.219 -2.728 401 HG3 ARG 52 2HG ARG 52 -3.945 15.979 -1.261 402 HD2 ARG 52 1HD ARG 52 -3.709 18.270 -2.295 403 HD3 ARG 52 2HD ARG 52 -3.088 17.527 -3.800 404 HH11 ARG 52 2HH2 ARG 52 -4.650 19.423 -4.064 405 HH12 ARG 52 1HH2 ARG 52 -6.222 19.673 -4.968 406 HH21 ARG 52 2HH1 ARG 52 -7.178 16.424 -4.212 407 HH22 ARG 52 1HH1 ARG 52 -7.655 18.007 -5.053 408 H TRP 53 H TRP 53 -0.036 13.877 -2.564 409 HA TRP 53 HA TRP 53 -0.575 13.224 -5.511 410 HD1 TRP 53 HD1 TRP 53 -1.676 9.850 -4.880 411 HE1 TRP 53 HE1 TRP 53 -1.107 7.384 -4.333 412 HE3 TRP 53 HE3 TRP 53 3.242 10.575 -3.558 413 HZ2 TRP 53 HZ2 TRP 53 1.260 5.987 -3.662 414 HZ3 TRP 53 HZ3 TRP 53 4.553 8.590 -2.816 415 HH2 TRP 53 HH2 TRP 53 3.586 6.336 -2.939 416 HB2 TRP 53 1HB TRP 53 1.390 12.194 -5.021 417 HB3 TRP 53 2HB TRP 53 1.067 12.016 -3.317 418 H ASP 54 H ASP 54 -2.701 12.917 -5.833 419 HA ASP 54 HA ASP 54 -4.452 11.867 -3.543 420 HB2 ASP 54 1HB ASP 54 -4.415 14.437 -4.384 421 HB3 ASP 54 2HB ASP 54 -5.442 13.868 -5.653 422 H TYR 55 H TYR 55 -3.946 9.733 -4.706 423 HA TYR 55 HA TYR 55 -6.016 9.197 -6.877 424 HD1 TYR 55 HD2 TYR 55 -4.547 9.511 -8.662 425 HD2 TYR 55 HD1 TYR 55 -1.930 6.931 -6.402 426 HE1 TYR 55 HE2 TYR 55 -2.642 10.180 -10.067 427 HE2 TYR 55 HE1 TYR 55 -0.055 7.705 -7.692 428 HH TYR 55 HH TYR 55 0.653 9.186 -9.295 429 HB2 TYR 55 1HB TYR 55 -4.079 7.219 -5.566 430 HB3 TYR 55 2HB TYR 55 -5.084 6.920 -6.966 431 H THR 56 H THR 56 -8.051 8.807 -6.249 432 HA THR 56 HA THR 56 -8.447 6.527 -4.209 433 HB THR 56 HB THR 56 -10.482 8.669 -5.024 434 HG1 THR 56 HG1 THR 56 -8.703 9.135 -3.513 435 HG21 THR 56 3HG2 THR 56 -11.873 7.654 -3.188 436 HG22 THR 56 1HG2 THR 56 -11.624 6.466 -4.484 437 HG23 THR 56 2HG2 THR 56 -10.690 6.342 -2.977 438 H SER 57 H SER 57 -7.706 5.172 -5.854 439 HA SER 57 HA SER 57 -9.612 4.618 -8.173 440 HG SER 57 HG SER 57 -6.233 4.713 -7.116 441 HB2 SER 57 1HB SER 57 -7.628 4.441 -9.571 442 HB3 SER 57 2HB SER 57 -7.649 6.003 -8.738 443 H THR 58 H THR 58 -9.947 2.555 -8.802 444 HA THR 58 HA THR 58 -8.509 0.303 -7.369 445 HB THR 58 HB THR 58 -10.509 0.764 -6.055 446 HG1 THR 58 HG1 THR 58 -10.381 -1.670 -7.485 447 HG21 THR 58 3HG2 THR 58 -12.181 -0.293 -8.437 448 HG22 THR 58 1HG2 THR 58 -12.743 0.019 -6.781 449 HG23 THR 58 2HG2 THR 58 -12.229 1.367 -7.816 450 H GLN 59 H GLN 59 -8.096 -1.387 -8.442 451 HA GLN 59 HA GLN 59 -7.924 -3.055 -10.027 452 HB2 GLN 59 1HB GLN 59 -10.509 -3.050 -9.783 453 HB3 GLN 59 2HB GLN 59 -10.568 -2.285 -11.354 454 HG2 GLN 59 1HG GLN 59 -9.611 -4.239 -12.468 455 HG3 GLN 59 2HG GLN 59 -8.924 -4.860 -10.990 456 HE21 GLN 59 1HE2 GLN 59 -12.004 -4.479 -12.632 457 HE22 GLN 59 2HE2 GLN 59 -12.787 -5.846 -11.683 458 H ARG 60 H ARG 60 -6.398 -1.109 -10.310 459 HA ARG 60 HA ARG 60 -6.401 -0.023 -13.111 460 HE ARG 60 HE ARG 60 -5.244 4.043 -10.554 461 HB2 ARG 60 1HB ARG 60 -6.193 1.330 -10.914 462 HB3 ARG 60 2HB ARG 60 -4.644 0.550 -10.629 463 HG2 ARG 60 1HG ARG 60 -4.070 1.567 -13.102 464 HG3 ARG 60 2HG ARG 60 -5.414 2.630 -12.780 465 HD2 ARG 60 1HD ARG 60 -3.098 2.253 -10.749 466 HD3 ARG 60 2HD ARG 60 -2.887 3.206 -12.216 467 HH11 ARG 60 2HH2 ARG 60 -1.741 4.408 -10.897 468 HH12 ARG 60 1HH2 ARG 60 -1.857 6.139 -10.280 469 HH21 ARG 60 2HH1 ARG 60 -5.220 5.871 -9.665 470 HH22 ARG 60 1HH1 ARG 60 -3.714 6.898 -9.588 471 H VAL 61 H VAL 61 -4.836 -0.326 -14.585 472 HA VAL 61 HA VAL 61 -2.916 -2.574 -14.336 473 HB VAL 61 HB VAL 61 -4.465 -2.293 -16.226 474 HG11 VAL 61 1HG1 VAL 61 -2.618 -0.058 -17.315 475 HG12 VAL 61 2HG1 VAL 61 -3.986 -0.828 -18.142 476 HG13 VAL 61 3HG1 VAL 61 -4.271 0.189 -16.723 477 HG21 VAL 61 3HG2 VAL 61 -2.938 -3.105 -17.954 478 HG22 VAL 61 1HG2 VAL 61 -1.518 -2.481 -17.086 479 HG23 VAL 61 2HG2 VAL 61 -2.516 -3.779 -16.371 480 H ASP 62 H ASP 62 -2.138 -0.929 -12.634 481 HA ASP 62 HA ASP 62 -0.048 0.989 -13.465 482 HB2 ASP 62 1HB ASP 62 -1.710 0.828 -11.342 483 HB3 ASP 62 2HB ASP 62 -0.418 -0.045 -10.595 484 H ARG 63 H ARG 63 1.932 0.787 -11.637 485 HA ARG 63 HA ARG 63 3.678 -1.296 -13.034 486 HE ARG 63 HE ARG 63 6.382 4.027 -10.231 487 HB2 ARG 63 1HB ARG 63 5.578 -0.100 -12.682 488 HB3 ARG 63 2HB ARG 63 4.368 1.029 -13.251 489 HG2 ARG 63 1HG ARG 63 4.124 1.950 -10.870 490 HG3 ARG 63 2HG ARG 63 5.313 0.778 -10.308 491 HD2 ARG 63 1HD ARG 63 6.945 1.802 -12.173 492 HD3 ARG 63 2HD ARG 63 5.745 3.058 -12.351 493 HH11 ARG 63 2HH2 ARG 63 7.891 0.910 -10.512 494 HH12 ARG 63 1HH2 ARG 63 9.083 1.300 -9.178 495 HH21 ARG 63 2HH1 ARG 63 7.667 4.409 -8.706 496 HH22 ARG 63 1HH1 ARG 63 8.934 3.187 -8.202 497 H LEU 64 H LEU 64 2.376 -1.024 -9.763 498 HA LEU 64 HA LEU 64 4.483 -2.884 -8.690 499 HG LEU 64 HG LEU 64 3.621 -3.588 -6.273 500 HB2 LEU 64 1HB LEU 64 3.990 -1.055 -7.344 501 HB3 LEU 64 2HB LEU 64 2.266 -1.155 -7.476 502 HD11 LEU 64 1HD1 LEU 64 3.776 -2.452 -4.024 503 HD12 LEU 64 2HD1 LEU 64 4.856 -1.666 -5.194 504 HD13 LEU 64 3HD1 LEU 64 3.309 -0.903 -4.775 505 HD21 LEU 64 3HD2 LEU 64 1.583 -3.631 -4.872 506 HD22 LEU 64 1HD2 LEU 64 1.131 -1.976 -5.358 507 HD23 LEU 64 2HD2 LEU 64 1.051 -3.280 -6.536 508 H ALA 65 H ALA 65 0.881 -2.844 -8.873 509 HA ALA 65 HA ALA 65 1.029 -5.770 -9.864 510 HB1 ALA 65 3HB ALA 65 -1.190 -4.463 -8.149 511 HB2 ALA 65 1HB ALA 65 -1.222 -6.119 -8.784 512 HB3 ALA 65 2HB ALA 65 0.005 -5.655 -7.588 513 H ARG 66 H ARG 66 -0.230 -6.262 -11.646 514 HA ARG 66 HA ARG 66 -1.367 -3.906 -13.188 515 HE ARG 66 HE ARG 66 3.060 -4.986 -16.502 516 HB2 ARG 66 1HB ARG 66 -0.765 -6.751 -14.172 517 HB3 ARG 66 2HB ARG 66 -1.517 -5.488 -15.125 518 HG2 ARG 66 1HG ARG 66 0.617 -4.005 -14.264 519 HG3 ARG 66 2HG ARG 66 1.343 -5.574 -14.022 520 HD2 ARG 66 1HD ARG 66 0.962 -6.167 -16.440 521 HD3 ARG 66 2HD ARG 66 0.091 -4.674 -16.728 522 HH11 ARG 66 2HH2 ARG 66 0.551 -2.618 -16.041 523 HH12 ARG 66 1HH2 ARG 66 1.660 -1.244 -16.451 524 HH21 ARG 66 2HH1 ARG 66 4.306 -3.399 -16.949 525 HH22 ARG 66 1HH1 ARG 66 3.681 -1.690 -16.960 526 H THR 67 H THR 67 -2.920 -5.882 -11.054 527 HA THR 67 HA THR 67 -5.054 -4.015 -11.869 528 HB THR 67 HB THR 67 -6.882 -5.328 -10.885 529 HG1 THR 67 HG1 THR 67 -4.985 -7.320 -10.838 530 HG21 THR 67 3HG2 THR 67 -5.840 -6.507 -13.524 531 HG22 THR 67 1HG2 THR 67 -7.517 -6.556 -12.940 532 HG23 THR 67 2HG2 THR 67 -6.765 -4.994 -13.360 533 H GLU 68 H GLU 68 -4.844 -2.615 -10.336 534 HA GLU 68 HA GLU 68 -4.008 -3.417 -7.510 535 HB2 GLU 68 1HB GLU 68 -2.252 -2.572 -9.260 536 HB3 GLU 68 2HB GLU 68 -3.027 -1.004 -9.196 537 HG2 GLU 68 1HG GLU 68 -2.522 -0.989 -6.627 538 HG3 GLU 68 2HG GLU 68 -1.702 -2.532 -6.849 539 H ILE 69 H ILE 69 -4.655 -2.174 -5.892 540 HA ILE 69 HA ILE 69 -6.688 0.059 -6.344 541 HB ILE 69 HB ILE 69 -6.084 -1.064 -3.568 542 HG12 ILE 69 1HG1 ILE 69 -8.490 -2.120 -3.796 543 HG13 ILE 69 2HG1 ILE 69 -8.229 -2.088 -5.523 544 HG21 ILE 69 1HG2 ILE 69 -8.265 0.041 -3.015 545 HG22 ILE 69 2HG2 ILE 69 -7.148 1.207 -3.727 546 HG23 ILE 69 3HG2 ILE 69 -8.460 0.543 -4.715 547 HD11 ILE 69 3HD1 ILE 69 -6.423 -3.565 -3.456 548 HD12 ILE 69 1HD1 ILE 69 -7.703 -4.298 -4.419 549 HD13 ILE 69 2HD1 ILE 69 -6.248 -3.690 -5.211 550 H LYS 70 H LYS 70 -5.803 1.941 -6.422 551 HA LYS 70 HA LYS 70 -3.552 2.739 -4.495 552 HB2 LYS 70 1HB LYS 70 -3.881 3.667 -7.396 553 HB3 LYS 70 2HB LYS 70 -3.207 4.737 -6.167 554 HG2 LYS 70 1HG LYS 70 -1.480 3.033 -5.543 555 HG3 LYS 70 2HG LYS 70 -2.092 1.914 -6.755 556 HD2 LYS 70 1HD LYS 70 -1.392 3.316 -8.610 557 HD3 LYS 70 2HD LYS 70 -1.264 4.749 -7.602 558 HE2 LYS 70 1HE LYS 70 0.964 4.269 -7.900 559 HE3 LYS 70 2HE LYS 70 0.661 3.597 -6.305 560 HZ1 LYS 70 3HZ LYS 70 0.952 2.056 -8.916 561 HZ2 LYS 70 1HZ LYS 70 1.920 1.940 -7.577 562 HZ3 LYS 70 2HZ LYS 70 0.373 1.298 -7.523 563 H ASN 71 H ASN 71 -5.292 2.791 -3.092 564 HA ASN 71 HA ASN 71 -6.903 5.380 -3.172 565 HB2 ASN 71 1HB ASN 71 -8.397 4.529 -1.619 566 HB3 ASN 71 2HB ASN 71 -8.233 3.366 -2.911 567 HD21 ASN 71 1HD2 ASN 71 -8.938 3.333 0.112 568 HD22 ASN 71 2HD2 ASN 71 -7.966 1.902 0.712 569 H PHE 72 H PHE 72 -5.219 6.741 -2.726 570 HA PHE 72 HA PHE 72 -4.052 6.775 0.061 571 HD1 PHE 72 HD2 PHE 72 -2.310 4.944 1.167 572 HD2 PHE 72 HD1 PHE 72 -0.178 7.588 -1.484 573 HE1 PHE 72 HE2 PHE 72 -0.403 4.965 2.711 574 HE2 PHE 72 HE1 PHE 72 1.747 7.560 0.055 575 HZ PHE 72 HZ PHE 72 1.641 6.257 2.154 576 HB2 PHE 72 1HB PHE 72 -2.741 5.061 -1.425 577 HB3 PHE 72 2HB PHE 72 -2.137 6.407 -2.336 578 H THR 73 H THR 73 -4.651 8.826 0.405 579 HA THR 73 HA THR 73 -3.744 11.019 -1.538 580 HB THR 73 HB THR 73 -5.753 11.262 0.732 581 HG1 THR 73 HG1 THR 73 -6.326 11.870 -1.942 582 HG21 THR 73 3HG2 THR 73 -6.142 13.549 -0.291 583 HG22 THR 73 1HG2 THR 73 -4.494 13.443 0.368 584 HG23 THR 73 2HG2 THR 73 -4.751 13.305 -1.375 585 H VAL 74 H VAL 74 -1.707 11.479 -1.120 586 HA VAL 74 HA VAL 74 -0.735 11.693 1.775 587 HB VAL 74 HB VAL 74 0.238 9.758 0.909 588 HG11 VAL 74 1HG1 VAL 74 1.901 9.692 -0.947 589 HG12 VAL 74 2HG1 VAL 74 0.295 10.138 -1.548 590 HG13 VAL 74 3HG1 VAL 74 1.542 11.389 -1.342 591 HG21 VAL 74 3HG2 VAL 74 1.684 11.302 2.414 592 HG22 VAL 74 1HG2 VAL 74 2.612 10.172 1.398 593 HG23 VAL 74 2HG2 VAL 74 2.476 11.889 0.934 594 H PHE 75 H PHE 75 0.017 13.462 2.419 595 HA PHE 75 HA PHE 75 -0.351 15.833 0.615 596 HD1 PHE 75 HD2 PHE 75 -2.363 17.722 1.480 597 HD2 PHE 75 HD1 PHE 75 -2.261 13.986 3.614 598 HE1 PHE 75 HE2 PHE 75 -4.784 17.456 1.147 599 HE2 PHE 75 HE1 PHE 75 -4.691 13.746 3.306 600 HZ PHE 75 HZ PHE 75 -5.964 15.483 2.084 601 HB2 PHE 75 1HB PHE 75 -0.257 15.540 3.676 602 HB3 PHE 75 2HB PHE 75 -0.352 17.094 2.880 603 H PHE 76 H PHE 76 1.133 17.104 -0.098 604 HA PHE 76 HA PHE 76 3.962 17.039 1.066 605 HD1 PHE 76 HD1 PHE 76 5.216 15.098 0.366 606 HD2 PHE 76 HD2 PHE 76 2.844 15.561 -3.171 607 HE1 PHE 76 HE1 PHE 76 5.264 12.637 -0.004 608 HE2 PHE 76 HE2 PHE 76 3.027 13.151 -3.610 609 HZ PHE 76 HZ PHE 76 4.212 11.676 -1.966 610 HB2 PHE 76 1HB PHE 76 3.246 17.492 -1.895 611 HB3 PHE 76 2HB PHE 76 4.851 17.476 -1.205 612 H GLU 77 H GLU 77 4.965 18.996 1.338 613 HA GLU 77 HA GLU 77 3.264 21.522 1.114 614 HB2 GLU 77 1HB GLU 77 4.471 21.065 3.219 615 HB3 GLU 77 2HB GLU 77 6.021 21.047 2.393 616 HG2 GLU 77 1HG GLU 77 5.762 23.174 3.520 617 HG3 GLU 77 2HG GLU 77 5.741 23.501 1.796 618 H ASN 78 H ASN 78 6.522 20.605 0.193 619 HA ASN 78 HA ASN 78 5.882 21.251 -2.649 620 HB2 ASN 78 1HB ASN 78 6.935 23.352 -1.903 621 HB3 ASN 78 2HB ASN 78 8.361 22.512 -1.316 622 HD21 ASN 78 1HD2 ASN 78 9.556 23.887 -2.690 623 HD22 ASN 78 2HD2 ASN 78 9.581 23.613 -4.506 624 H GLU 79 H GLU 79 9.076 20.443 -1.285 625 HA GLU 79 HA GLU 79 8.870 17.671 -2.490 626 HB2 GLU 79 1HB GLU 79 10.871 19.115 -2.873 627 HB3 GLU 79 2HB GLU 79 11.239 19.086 -1.155 628 HG2 GLU 79 1HG GLU 79 12.694 17.579 -2.337 629 HG3 GLU 79 2HG GLU 79 11.707 16.645 -1.247 630 H GLN 80 H GLN 80 8.475 19.077 0.680 631 HA GLN 80 HA GLN 80 9.350 16.549 2.083 632 HB2 GLN 80 1HB GLN 80 9.222 17.666 4.169 633 HB3 GLN 80 2HB GLN 80 10.194 18.580 3.036 634 HG2 GLN 80 1HG GLN 80 8.299 20.227 2.697 635 HG3 GLN 80 2HG GLN 80 7.263 19.307 3.769 636 HE21 GLN 80 1HE2 GLN 80 7.764 19.351 6.050 637 HE22 GLN 80 2HE2 GLN 80 8.871 20.683 6.681 638 H VAL 81 H VAL 81 8.101 15.244 3.294 639 HA VAL 81 HA VAL 81 5.217 15.113 2.469 640 HB VAL 81 HB VAL 81 6.626 13.004 4.181 641 HG11 VAL 81 1HG1 VAL 81 4.178 12.719 3.926 642 HG12 VAL 81 2HG1 VAL 81 4.300 12.886 2.164 643 HG13 VAL 81 3HG1 VAL 81 5.003 11.470 2.987 644 HG21 VAL 81 3HG2 VAL 81 7.176 11.732 2.058 645 HG22 VAL 81 1HG2 VAL 81 6.942 13.246 1.133 646 HG23 VAL 81 2HG2 VAL 81 8.187 13.141 2.352 647 H VAL 82 H VAL 82 3.543 15.587 3.682 648 HA VAL 82 HA VAL 82 3.914 16.336 6.615 649 HB VAL 82 HB VAL 82 1.490 16.798 4.769 650 HG11 VAL 82 1HG1 VAL 82 2.065 17.920 7.604 651 HG12 VAL 82 2HG1 VAL 82 0.702 18.370 6.551 652 HG13 VAL 82 3HG1 VAL 82 0.806 16.732 7.206 653 HG21 VAL 82 3HG2 VAL 82 3.445 18.222 4.057 654 HG22 VAL 82 1HG2 VAL 82 2.185 19.208 4.803 655 HG23 VAL 82 2HG2 VAL 82 3.656 18.803 5.722 656 H ARG 83 H ARG 83 1.365 14.461 4.874 657 HA ARG 83 HA ARG 83 1.749 12.102 6.499 658 HE ARG 83 HE ARG 83 -2.274 11.463 7.700 659 HB2 ARG 83 1HB ARG 83 -0.144 11.948 7.970 660 HB3 ARG 83 2HB ARG 83 0.860 13.295 8.365 661 HG2 ARG 83 1HG ARG 83 -1.301 14.039 8.763 662 HG3 ARG 83 2HG ARG 83 -0.762 14.908 7.349 663 HD2 ARG 83 1HD ARG 83 -3.093 14.344 7.160 664 HD3 ARG 83 2HD ARG 83 -2.215 13.524 5.868 665 HH11 ARG 83 2HH2 ARG 83 -4.900 13.544 6.695 666 HH12 ARG 83 1HH2 ARG 83 -6.084 12.116 6.745 667 HH21 ARG 83 2HH1 ARG 83 -3.614 9.930 7.616 668 HH22 ARG 83 1HH1 ARG 83 -5.388 10.221 7.298 669 H TRP 84 H TRP 84 0.187 10.399 6.199 670 HA TRP 84 HA TRP 84 -1.144 10.543 3.464 671 HD1 TRP 84 HD1 TRP 84 -0.289 6.253 5.344 672 HE1 TRP 84 HE1 TRP 84 1.732 5.566 6.890 673 HE3 TRP 84 HE3 TRP 84 2.740 10.273 4.283 674 HZ2 TRP 84 HZ2 TRP 84 4.192 6.816 7.608 675 HZ3 TRP 84 HZ3 TRP 84 4.926 10.456 5.449 676 HH2 TRP 84 HH2 TRP 84 5.627 8.780 7.067 677 HB2 TRP 84 1HB TRP 84 -0.542 8.107 3.215 678 HB3 TRP 84 2HB TRP 84 0.728 9.289 3.100 679 H GLU 85 H GLU 85 -3.001 9.775 3.020 680 HA GLU 85 HA GLU 85 -4.755 8.584 5.227 681 HB2 GLU 85 1HB GLU 85 -5.073 11.035 4.345 682 HB3 GLU 85 2HB GLU 85 -5.562 10.339 2.821 683 HG2 GLU 85 1HG GLU 85 -7.613 10.770 3.922 684 HG3 GLU 85 2HG GLU 85 -7.444 9.041 4.174 685 H GLY 86 H GLY 86 -5.326 6.605 4.843 686 HA2 GLY 86 1HA GLY 86 -7.181 5.484 3.486 687 HA3 GLY 86 2HA GLY 86 -6.227 5.686 2.035 688 H ASP 87 H ASP 87 -5.292 3.901 1.405 689 HA ASP 87 HA ASP 87 -4.149 1.864 3.354 690 HB2 ASP 87 1HB ASP 87 -6.246 1.114 1.224 691 HB3 ASP 87 2HB ASP 87 -5.110 -0.045 1.852 692 H TYR 88 H TYR 88 -4.680 2.149 -0.169 693 HA TYR 88 HA TYR 88 -3.232 1.839 -1.999 694 HD1 TYR 88 HD2 TYR 88 -1.185 0.664 -3.352 695 HD2 TYR 88 HD1 TYR 88 0.533 4.052 -1.281 696 HE1 TYR 88 HE2 TYR 88 0.737 0.635 -4.853 697 HE2 TYR 88 HE1 TYR 88 2.410 3.996 -2.754 698 HH TYR 88 HH TYR 88 3.443 1.615 -4.274 699 HB2 TYR 88 1HB TYR 88 -1.660 3.337 -0.671 700 HB3 TYR 88 2HB TYR 88 -0.818 1.923 -0.137 701 H PHE 89 H PHE 89 -3.832 -0.084 -2.638 702 HA PHE 89 HA PHE 89 -4.632 -2.239 -2.494 703 HD1 PHE 89 HD1 PHE 89 -4.466 -5.028 -1.840 704 HD2 PHE 89 HD2 PHE 89 -1.839 -3.596 -4.934 705 HE1 PHE 89 HE1 PHE 89 -5.163 -6.876 -3.286 706 HE2 PHE 89 HE2 PHE 89 -2.601 -5.426 -6.407 707 HZ PHE 89 HZ PHE 89 -4.241 -7.067 -5.592 708 HB2 PHE 89 1HB PHE 89 -1.947 -2.333 -2.978 709 HB3 PHE 89 2HB PHE 89 -1.977 -3.372 -1.588 710 HA PRO 90 HA PRO 90 -5.692 -2.786 1.983 711 HB2 PRO 90 1HB PRO 90 -8.472 -3.310 1.034 712 HB3 PRO 90 2HB PRO 90 -7.867 -2.118 2.175 713 HG2 PRO 90 1HG PRO 90 -8.764 -1.475 -0.395 714 HG3 PRO 90 2HG PRO 90 -7.667 -0.481 0.569 715 HD2 PRO 90 1HD PRO 90 -6.959 -2.275 -1.764 716 HD3 PRO 90 2HD PRO 90 -6.194 -0.768 -1.199 717 H SER 91 H SER 91 -4.263 -4.577 1.109 718 HA SER 91 HA SER 91 -5.445 -7.221 2.077 719 HG SER 91 HG SER 91 -3.974 -9.014 -0.827 720 HB2 SER 91 1HB SER 91 -5.773 -7.284 -0.424 721 HB3 SER 91 2HB SER 91 -4.074 -6.895 -0.682 722 H GLN 92 H GLN 92 -4.082 -6.507 3.839 723 HA GLN 92 HA GLN 92 -1.359 -5.611 3.210 724 HB2 GLN 92 1HB GLN 92 -2.682 -5.790 5.968 725 HB3 GLN 92 2HB GLN 92 -1.227 -4.888 5.576 726 HG2 GLN 92 1HG GLN 92 -4.065 -4.308 4.533 727 HG3 GLN 92 2HG GLN 92 -3.174 -3.408 5.743 728 HE21 GLN 92 1HE2 GLN 92 -4.246 -2.010 3.704 729 HE22 GLN 92 2HE2 GLN 92 -2.921 -1.576 2.506 730 H ASP 93 H ASP 93 -1.451 -8.121 2.690 731 HA ASP 93 HA ASP 93 1.316 -8.486 3.210 732 HB2 ASP 93 1HB ASP 93 0.228 -9.867 5.241 733 HB3 ASP 93 2HB ASP 93 -0.012 -11.126 4.049 734 H GLU 94 H GLU 94 0.454 -7.843 0.971 735 HA GLU 94 HA GLU 94 -0.163 -10.075 -0.909 736 HB2 GLU 94 1HB GLU 94 0.541 -7.121 -1.369 737 HB3 GLU 94 2HB GLU 94 0.449 -8.249 -2.700 738 HG2 GLU 94 1HG GLU 94 -1.894 -7.741 -0.789 739 HG3 GLU 94 2HG GLU 94 -1.632 -6.877 -2.284 740 H GLN 95 H GLN 95 1.562 -11.348 -0.220 741 HA GLN 95 HA GLN 95 4.358 -10.914 -0.979 742 HB2 GLN 95 1HB GLN 95 3.523 -12.580 0.702 743 HB3 GLN 95 2HB GLN 95 2.864 -13.578 -0.589 744 HG2 GLN 95 1HG GLN 95 4.913 -14.545 0.133 745 HG3 GLN 95 2HG GLN 95 5.160 -13.973 -1.509 746 HE21 GLN 95 1HE2 GLN 95 7.335 -14.555 -0.300 747 HE22 GLN 95 2HE2 GLN 95 8.235 -13.043 0.250 748 H LEU 96 H LEU 96 3.804 -9.975 -2.843 749 HA LEU 96 HA LEU 96 2.494 -11.030 -5.026 750 HG LEU 96 HG LEU 96 2.803 -9.172 -7.239 751 HB2 LEU 96 1HB LEU 96 2.950 -8.574 -4.219 752 HB3 LEU 96 2HB LEU 96 4.396 -8.630 -5.207 753 HD11 LEU 96 1HD1 LEU 96 0.666 -8.164 -5.218 754 HD12 LEU 96 2HD1 LEU 96 0.420 -8.456 -6.953 755 HD13 LEU 96 3HD1 LEU 96 0.742 -9.809 -5.859 756 HD21 LEU 96 3HD2 LEU 96 2.228 -6.754 -7.499 757 HD22 LEU 96 1HD2 LEU 96 2.543 -6.454 -5.775 758 HD23 LEU 96 2HD2 LEU 96 3.866 -6.931 -6.864 759 H ALA 97 H ALA 97 4.020 -12.979 -5.003 760 HA ALA 97 HA ALA 97 5.079 -12.986 -7.892 761 HB1 ALA 97 3HB ALA 97 5.298 -15.226 -5.773 762 HB2 ALA 97 1HB ALA 97 5.857 -15.326 -7.454 763 HB3 ALA 97 2HB ALA 97 6.620 -14.174 -6.340 764 H LYS 98 H LYS 98 2.833 -12.289 -8.174 765 HA LYS 98 HA LYS 98 0.679 -14.431 -7.744 766 HB2 LYS 98 1HB LYS 98 0.773 -12.182 -6.482 767 HB3 LYS 98 2HB LYS 98 0.359 -11.370 -7.990 768 HG2 LYS 98 1HG LYS 98 -1.824 -12.747 -8.042 769 HG3 LYS 98 2HG LYS 98 -1.321 -13.538 -6.543 770 HD2 LYS 98 1HD LYS 98 -1.152 -11.191 -5.440 771 HD3 LYS 98 2HD LYS 98 -1.838 -10.501 -6.912 772 HE2 LYS 98 1HE LYS 98 -3.923 -12.009 -6.559 773 HE3 LYS 98 2HE LYS 98 -3.176 -12.606 -5.069 774 HZ1 LYS 98 3HZ LYS 98 -4.393 -10.742 -4.232 775 HZ2 LYS 98 1HZ LYS 98 -2.964 -9.998 -4.476 776 HZ3 LYS 98 2HZ LYS 98 -4.211 -9.821 -5.585 777 H ALA 99 H ALA 99 0.808 -15.520 -9.641 778 HA ALA 99 HA ALA 99 1.423 -14.592 -12.194 779 HB1 ALA 99 3HB ALA 99 -0.367 -17.025 -11.552 780 HB2 ALA 99 1HB ALA 99 0.535 -16.764 -13.060 781 HB3 ALA 99 2HB ALA 99 1.414 -16.974 -11.539 782 H ALA 100 H ALA 100 -2.052 -15.116 -11.322 783 HA ALA 100 HA ALA 100 -2.811 -12.933 -13.315 784 HB1 ALA 100 3HB ALA 100 -4.591 -14.593 -11.406 785 HB2 ALA 100 1HB ALA 100 -5.127 -13.541 -12.736 786 HB3 ALA 100 2HB ALA 100 -4.212 -15.031 -13.081 787 HA PRO 101 HA PRO 101 -1.795 -10.669 -9.369 788 HB2 PRO 101 1HB PRO 101 -1.052 -8.203 -10.327 789 HB3 PRO 101 2HB PRO 101 -0.101 -9.688 -10.571 790 HG2 PRO 101 1HG PRO 101 -2.127 -8.460 -12.555 791 HG3 PRO 101 2HG PRO 101 -0.419 -8.884 -12.880 792 HD2 PRO 101 1HD PRO 101 -2.456 -10.647 -13.495 793 HD3 PRO 101 2HD PRO 101 -0.899 -11.256 -12.850 794 H LYS 102 H LYS 102 -4.082 -11.106 -9.128 795 HA LYS 102 HA LYS 102 -6.118 -9.274 -9.808 796 HB2 LYS 102 1HB LYS 102 -6.434 -11.666 -9.540 797 HB3 LYS 102 2HB LYS 102 -6.235 -11.566 -7.795 798 HG2 LYS 102 1HG LYS 102 -8.570 -11.801 -8.277 799 HG3 LYS 102 2HG LYS 102 -8.316 -10.222 -7.562 800 HD2 LYS 102 1HD LYS 102 -8.368 -9.231 -10.011 801 HD3 LYS 102 2HD LYS 102 -8.741 -10.851 -10.560 802 HE2 LYS 102 1HE LYS 102 -10.871 -9.891 -10.441 803 HE3 LYS 102 2HE LYS 102 -10.812 -10.814 -8.945 804 HZ1 LYS 102 3HZ LYS 102 -11.587 -8.606 -8.332 805 HZ2 LYS 102 1HZ LYS 102 -10.018 -8.549 -7.854 806 HZ3 LYS 102 2HZ LYS 102 -10.500 -7.815 -9.260 807 H GLN 103 H GLN 103 -6.558 -7.345 -8.993 808 HA GLN 103 HA GLN 103 -6.533 -6.099 -6.590 809 HB2 GLN 103 1HB GLN 103 -7.417 -5.258 -8.673 810 HB3 GLN 103 2HB GLN 103 -8.824 -6.305 -8.645 811 HG2 GLN 103 1HG GLN 103 -8.229 -4.012 -6.684 812 HG3 GLN 103 2HG GLN 103 -9.153 -3.855 -8.127 813 HE21 GLN 103 1HE2 GLN 103 -11.217 -5.118 -8.276 814 HE22 GLN 103 2HE2 GLN 103 -12.114 -5.245 -6.668 815 H PHE 104 H PHE 104 -7.059 -6.528 -4.739 816 HA PHE 104 HA PHE 104 -9.641 -7.797 -3.830 817 HD1 PHE 104 HD2 PHE 104 -10.399 -10.379 -3.053 818 HD2 PHE 104 HD1 PHE 104 -7.416 -8.860 -0.339 819 HE1 PHE 104 HE2 PHE 104 -11.687 -11.238 -1.138 820 HE2 PHE 104 HE1 PHE 104 -8.713 -9.714 1.560 821 HZ PHE 104 HZ PHE 104 -10.855 -10.908 1.172 822 HB2 PHE 104 1HB PHE 104 -8.024 -9.713 -3.861 823 HB3 PHE 104 2HB PHE 104 -6.947 -8.863 -2.764 824 H GLY 105 H GLY 105 -9.882 -5.513 -3.523 825 HA2 GLY 105 1HA GLY 105 -8.630 -4.166 -1.201 826 HA3 GLY 105 2HA GLY 105 -10.020 -3.594 -2.083 827 H ARG 106 H ARG 106 -9.039 -5.728 0.542 828 HA ARG 106 HA ARG 106 -11.474 -4.843 2.076 829 HE ARG 106 HE ARG 106 -14.530 -7.548 4.679 830 HB2 ARG 106 1HB ARG 106 -12.114 -6.981 0.791 831 HB3 ARG 106 2HB ARG 106 -11.000 -7.883 1.790 832 HG2 ARG 106 1HG ARG 106 -13.386 -6.195 2.845 833 HG3 ARG 106 2HG ARG 106 -13.498 -7.886 2.375 834 HD2 ARG 106 1HD ARG 106 -11.813 -8.535 4.143 835 HD3 ARG 106 2HD ARG 106 -11.717 -6.839 4.676 836 HH11 ARG 106 2HH2 ARG 106 -11.665 -8.468 6.416 837 HH12 ARG 106 1HH2 ARG 106 -12.612 -8.821 7.941 838 HH21 ARG 106 2HH1 ARG 106 -15.579 -7.984 6.411 839 HH22 ARG 106 1HH1 ARG 106 -14.726 -8.563 7.908 840 H ASN 107 H ASN 107 -9.926 -3.728 3.255 841 HA ASN 107 HA ASN 107 -8.469 -5.432 5.385 842 HB2 ASN 107 1HB ASN 107 -6.872 -4.212 3.978 843 HB3 ASN 107 2HB ASN 107 -7.713 -2.690 4.234 844 HD21 ASN 107 1HD2 ASN 107 -6.231 -1.507 5.259 845 HD22 ASN 107 2HD2 ASN 107 -5.457 -2.000 6.850 846 H LEU 108 H LEU 108 -10.258 -5.571 6.684 847 HA LEU 108 HA LEU 108 -11.089 -2.988 8.101 848 HG LEU 108 HG LEU 108 -13.548 -3.922 9.632 849 HB2 LEU 108 1HB LEU 108 -12.879 -4.127 6.622 850 HB3 LEU 108 2HB LEU 108 -12.820 -5.499 7.720 851 HD11 LEU 108 1HD1 LEU 108 -14.018 -1.931 7.295 852 HD12 LEU 108 2HD1 LEU 108 -14.626 -1.747 8.954 853 HD13 LEU 108 3HD1 LEU 108 -12.889 -1.693 8.647 854 HD21 LEU 108 3HD2 LEU 108 -15.928 -3.883 8.861 855 HD22 LEU 108 1HD2 LEU 108 -15.425 -4.171 7.180 856 HD23 LEU 108 2HD2 LEU 108 -15.156 -5.415 8.427 857 H ALA 109 H ALA 109 -8.894 -4.037 8.886 858 HA ALA 109 HA ALA 109 -9.525 -4.471 11.829 859 HB1 ALA 109 3HB ALA 109 -7.711 -6.367 11.836 860 HB2 ALA 109 1HB ALA 109 -9.311 -6.699 11.167 861 HB3 ALA 109 2HB ALA 109 -7.933 -6.407 10.055 862 H ARG 110 H ARG 110 -8.668 -2.742 12.505 863 HA ARG 110 HA ARG 110 -5.835 -1.793 11.687 864 HE ARG 110 HE ARG 110 -9.183 -0.683 7.666 865 HB2 ARG 110 1HB ARG 110 -8.317 0.031 11.812 866 HB3 ARG 110 2HB ARG 110 -6.665 0.516 11.443 867 HG2 ARG 110 1HG ARG 110 -6.735 -1.063 9.378 868 HG3 ARG 110 2HG ARG 110 -8.423 -1.386 9.771 869 HD2 ARG 110 1HD ARG 110 -8.837 1.201 9.568 870 HD3 ARG 110 2HD ARG 110 -7.188 1.312 8.926 871 HH11 ARG 110 2HH2 ARG 110 -7.235 2.213 7.122 872 HH12 ARG 110 1HH2 ARG 110 -7.469 1.960 5.313 873 HH21 ARG 110 2HH1 ARG 110 -9.320 -0.836 5.663 874 HH22 ARG 110 1HH1 ARG 110 -8.472 0.431 4.595 875 H ASP 111 H ASP 111 -4.719 -1.968 13.529 876 HA ASP 111 HA ASP 111 -5.599 -0.411 15.970 877 HB2 ASP 111 1HB ASP 111 -4.315 -3.218 16.037 878 HB3 ASP 111 2HB ASP 111 -4.512 -2.188 17.428 879 H LYS 112 H LYS 112 -3.837 0.261 17.225 880 HA LYS 112 HA LYS 112 -1.100 -0.453 16.683 881 HB2 LYS 112 1HB LYS 112 -1.236 1.383 14.963 882 HB3 LYS 112 2HB LYS 112 -1.618 2.558 16.228 883 HG2 LYS 112 1HG LYS 112 0.599 1.986 17.381 884 HG3 LYS 112 2HG LYS 112 0.949 0.815 16.100 885 HD2 LYS 112 1HD LYS 112 0.993 2.635 14.381 886 HD3 LYS 112 2HD LYS 112 0.512 3.838 15.588 887 HE2 LYS 112 1HE LYS 112 2.634 3.382 16.921 888 HE3 LYS 112 2HE LYS 112 3.101 2.130 15.754 889 HZ1 LYS 112 3HZ LYS 112 3.104 3.832 13.931 890 HZ2 LYS 112 1HZ LYS 112 2.690 5.026 14.945 891 HZ3 LYS 112 2HZ LYS 112 4.169 4.303 15.112 892 H LYS 113 H LYS 113 -1.320 -1.187 18.596 893 HA LYS 113 HA LYS 113 -2.405 0.455 20.955 894 HB2 LYS 113 1HB LYS 113 -3.952 -0.605 19.188 895 HB3 LYS 113 2HB LYS 113 -3.336 -2.194 19.628 896 HG2 LYS 113 1HG LYS 113 -4.484 -1.937 21.907 897 HG3 LYS 113 2HG LYS 113 -4.994 -0.294 21.446 898 HD2 LYS 113 1HD LYS 113 -6.053 -1.254 19.327 899 HD3 LYS 113 2HD LYS 113 -5.574 -2.873 19.839 900 HE2 LYS 113 1HE LYS 113 -7.170 -2.569 21.888 901 HE3 LYS 113 2HE LYS 113 -7.672 -1.022 21.167 902 HZ1 LYS 113 3HZ LYS 113 -7.925 -3.789 20.029 903 HZ2 LYS 113 1HZ LYS 113 -9.118 -2.626 20.009 904 HZ3 LYS 113 2HZ LYS 113 -7.812 -2.566 18.947 905 H LYS 114 H LYS 114 -2.478 -0.634 22.982 906 HA LYS 114 HA LYS 114 -0.215 -2.520 23.635 907 HB2 LYS 114 1HB LYS 114 -1.113 -0.604 25.103 908 HB3 LYS 114 2HB LYS 114 -2.505 -1.598 25.487 909 HG2 LYS 114 1HG LYS 114 0.464 -2.335 26.023 910 HG3 LYS 114 2HG LYS 114 -0.589 -1.492 27.145 911 HD2 LYS 114 1HD LYS 114 -2.186 -3.554 27.097 912 HD3 LYS 114 2HD LYS 114 -1.000 -4.367 26.105 913 HE2 LYS 114 1HE LYS 114 -0.558 -5.189 28.254 914 HE3 LYS 114 2HE LYS 114 0.767 -4.073 27.939 915 HZ1 LYS 114 3HZ LYS 114 -0.219 -3.699 30.213 916 HZ2 LYS 114 1HZ LYS 114 -0.474 -2.354 29.304 917 HZ3 LYS 114 2HZ LYS 114 -1.703 -3.401 29.569 918 H GLN 115 H GLN 115 -0.910 -3.929 22.118 919 HA GLN 115 HA GLN 115 -2.455 -6.373 22.650 920 HB2 GLN 115 1HB GLN 115 -4.374 -4.574 22.362 921 HB3 GLN 115 2HB GLN 115 -3.772 -4.325 20.741 922 HG2 GLN 115 1HG GLN 115 -4.211 -7.073 20.602 923 HG3 GLN 115 2HG GLN 115 -5.240 -6.723 21.967 924 HE21 GLN 115 1HE2 GLN 115 -4.865 -6.429 18.577 925 HE22 GLN 115 2HE2 GLN 115 -6.395 -5.478 18.233 926 H ARG 116 H ARG 116 -1.149 -4.176 20.169 927 HA ARG 116 HA ARG 116 -0.369 -6.303 18.254 928 HE ARG 116 HE ARG 116 -2.861 -5.804 13.586 929 HB2 ARG 116 1HB ARG 116 -2.810 -6.556 18.124 930 HB3 ARG 116 2HB ARG 116 -3.060 -4.815 17.941 931 HG2 ARG 116 1HG ARG 116 -1.954 -4.853 15.703 932 HG3 ARG 116 2HG ARG 116 -1.642 -6.588 15.830 933 HD2 ARG 116 1HD ARG 116 -4.027 -7.144 15.762 934 HD3 ARG 116 2HD ARG 116 -4.504 -5.487 16.144 935 HH11 ARG 116 2HH2 ARG 116 -6.036 -4.945 14.957 936 HH12 ARG 116 1HH2 ARG 116 -6.548 -4.476 13.279 937 HH21 ARG 116 2HH1 ARG 116 -3.480 -5.181 11.972 938 HH22 ARG 116 1HH1 ARG 116 -5.211 -4.600 11.607 939 H GLY 117 H GLY 117 1.228 -5.336 17.341 940 HA2 GLY 117 1HA GLY 117 1.932 -2.652 16.749 941 HA3 GLY 117 2HA GLY 117 2.408 -3.967 15.697 942 H ARG 118 H ARG 118 0.950 -4.504 13.922 943 HA ARG 118 HA ARG 118 -1.593 -3.257 13.591 944 HE ARG 118 HE ARG 118 -1.099 -3.605 10.011 945 HB2 ARG 118 1HB ARG 118 -0.181 -1.218 12.871 946 HB3 ARG 118 2HB ARG 118 0.315 -2.087 11.457 947 HG2 ARG 118 1HG ARG 118 -2.704 -1.967 11.978 948 HG3 ARG 118 2HG ARG 118 -1.918 -0.428 11.802 949 HD2 ARG 118 1HD ARG 118 -2.803 -1.061 9.649 950 HD3 ARG 118 2HD ARG 118 -1.047 -1.009 9.551 951 HH11 ARG 118 2HH2 ARG 118 -3.847 -2.195 8.382 952 HH12 ARG 118 1HH2 ARG 118 -4.578 -3.862 8.114 953 HH21 ARG 118 2HH1 ARG 118 -1.824 -5.319 9.639 954 HH22 ARG 118 1HH1 ARG 118 -3.403 -5.597 8.737 Start of MODEL 7 1 HA MET 1 HA MET 1 28.031 -1.564 -5.592 2 H1 MET 1 1H MET 1 25.987 0.512 -4.851 3 H2 MET 1 2H MET 1 25.602 -0.992 -5.417 4 H3 MET 1 3H MET 1 26.337 -0.815 -3.937 5 HB2 MET 1 1HB MET 1 27.065 0.997 -7.075 6 HB3 MET 1 2HB MET 1 28.519 0.117 -7.480 7 HG2 MET 1 1HG MET 1 26.941 -0.641 -9.039 8 HG3 MET 1 2HG MET 1 27.082 -1.998 -7.920 9 HE1 MET 1 3HE MET 1 23.309 -2.142 -8.947 10 HE2 MET 1 1HE MET 1 24.718 -1.757 -9.971 11 HE3 MET 1 2HE MET 1 24.828 -3.059 -8.751 12 H ALA 2 H ALA 2 30.213 -0.702 -5.664 13 HA ALA 2 HA ALA 2 30.929 1.160 -3.442 14 HB1 ALA 2 3HB ALA 2 32.659 -0.141 -5.651 15 HB2 ALA 2 1HB ALA 2 33.265 0.718 -4.223 16 HB3 ALA 2 2HB ALA 2 32.357 -0.789 -4.017 17 H GLY 3 H GLY 3 30.438 3.219 -3.731 18 HA2 GLY 3 1HA GLY 3 31.018 5.405 -5.162 19 HA3 GLY 3 2HA GLY 3 30.415 4.475 -6.529 20 H SER 4 H SER 4 28.226 3.236 -5.202 21 HA SER 4 HA SER 4 26.232 5.488 -5.493 22 HG SER 4 HG SER 4 25.628 2.603 -3.793 23 HB2 SER 4 1HB SER 4 24.528 3.808 -5.572 24 HB3 SER 4 2HB SER 4 25.865 3.209 -6.554 25 H GLY 5 H GLY 5 26.715 6.706 -3.640 26 HA2 GLY 5 1HA GLY 5 26.503 5.706 -0.868 27 HA3 GLY 5 2HA GLY 5 26.556 7.386 -1.340 28 H ILE 6 H ILE 6 24.312 4.681 -1.390 29 HA ILE 6 HA ILE 6 21.948 6.451 -1.197 30 HB ILE 6 HB ILE 6 21.906 4.587 -2.627 31 HG12 ILE 6 1HG1 ILE 6 19.719 4.276 -0.479 32 HG13 ILE 6 2HG1 ILE 6 19.804 5.636 -1.592 33 HG21 ILE 6 1HG2 ILE 6 21.688 2.241 -1.946 34 HG22 ILE 6 2HG2 ILE 6 23.156 2.912 -1.204 35 HG23 ILE 6 3HG2 ILE 6 21.702 2.654 -0.218 36 HD11 ILE 6 3HD1 ILE 6 19.406 2.692 -2.425 37 HD12 ILE 6 1HD1 ILE 6 18.212 4.001 -2.464 38 HD13 ILE 6 2HD1 ILE 6 19.602 4.043 -3.571 39 H ILE 7 H ILE 7 22.641 7.505 0.750 40 HA ILE 7 HA ILE 7 22.111 6.134 3.357 41 HB ILE 7 HB ILE 7 23.874 7.764 3.024 42 HG12 ILE 7 1HG1 ILE 7 23.332 7.087 5.222 43 HG13 ILE 7 2HG1 ILE 7 23.871 8.746 5.175 44 HG21 ILE 7 1HG2 ILE 7 23.587 10.180 3.168 45 HG22 ILE 7 2HG2 ILE 7 22.761 9.586 1.717 46 HG23 ILE 7 3HG2 ILE 7 21.818 10.056 3.142 47 HD11 ILE 7 3HD1 ILE 7 21.434 9.523 5.477 48 HD12 ILE 7 1HD1 ILE 7 20.959 7.820 5.649 49 HD13 ILE 7 2HD1 ILE 7 22.076 8.549 6.816 50 H TYR 8 H TYR 8 20.080 5.367 2.829 51 HA TYR 8 HA TYR 8 17.738 7.250 3.350 52 HD1 TYR 8 HD1 TYR 8 19.518 7.565 0.072 53 HD2 TYR 8 HD2 TYR 8 15.354 7.669 1.179 54 HE1 TYR 8 HE1 TYR 8 19.272 9.739 -1.037 55 HE2 TYR 8 HE2 TYR 8 15.115 9.826 0.038 56 HH TYR 8 HH TYR 8 17.912 11.475 -1.400 57 HB2 TYR 8 1HB TYR 8 18.274 5.436 0.907 58 HB3 TYR 8 2HB TYR 8 16.627 5.598 1.431 59 H LYS 9 H LYS 9 15.830 6.262 3.934 60 HA LYS 9 HA LYS 9 16.159 3.825 5.742 61 HB2 LYS 9 1HB LYS 9 15.138 6.076 6.505 62 HB3 LYS 9 2HB LYS 9 13.741 5.716 5.491 63 HG2 LYS 9 1HG LYS 9 13.521 3.478 6.841 64 HG3 LYS 9 2HG LYS 9 14.794 4.067 7.900 65 HD2 LYS 9 1HD LYS 9 12.035 5.343 7.378 66 HD3 LYS 9 2HD LYS 9 12.498 4.411 8.791 67 HE2 LYS 9 1HE LYS 9 14.213 6.218 9.426 68 HE3 LYS 9 2HE LYS 9 13.712 7.164 8.021 69 HZ1 LYS 9 3HZ LYS 9 11.292 6.541 9.208 70 HZ2 LYS 9 1HZ LYS 9 12.227 6.821 10.537 71 HZ3 LYS 9 2HZ LYS 9 12.005 7.983 9.372 72 H GLN 10 H GLN 10 16.300 2.344 4.138 73 HA GLN 10 HA GLN 10 14.585 2.351 1.778 74 HB2 GLN 10 1HB GLN 10 16.902 0.580 2.733 75 HB3 GLN 10 2HB GLN 10 16.107 0.270 1.203 76 HG2 GLN 10 1HG GLN 10 16.751 2.303 0.184 77 HG3 GLN 10 2HG GLN 10 17.032 3.147 1.680 78 HE21 GLN 10 1HE2 GLN 10 19.001 2.832 2.788 79 HE22 GLN 10 2HE2 GLN 10 20.433 2.154 1.843 80 HA PRO 11 HA PRO 11 11.370 -0.446 2.860 81 HB2 PRO 11 1HB PRO 11 10.354 -1.299 0.435 82 HB3 PRO 11 2HB PRO 11 10.378 0.397 0.953 83 HG2 PRO 11 1HG PRO 11 12.493 -1.009 -0.808 84 HG3 PRO 11 2HG PRO 11 11.565 0.458 -1.218 85 HD2 PRO 11 1HD PRO 11 14.076 0.709 -0.097 86 HD3 PRO 11 2HD PRO 11 12.763 1.791 0.450 87 H ILE 12 H ILE 12 12.860 -1.887 3.967 88 HA ILE 12 HA ILE 12 13.220 -4.623 2.830 89 HB ILE 12 HB ILE 12 14.885 -3.634 4.196 90 HG12 ILE 12 1HG1 ILE 12 13.897 -6.161 5.656 91 HG13 ILE 12 2HG1 ILE 12 14.405 -6.216 3.977 92 HG21 ILE 12 1HG2 ILE 12 13.128 -4.003 6.723 93 HG22 ILE 12 2HG2 ILE 12 14.804 -3.422 6.650 94 HG23 ILE 12 3HG2 ILE 12 13.497 -2.443 5.965 95 HD11 ILE 12 3HD1 ILE 12 16.234 -5.277 6.279 96 HD12 ILE 12 1HD1 ILE 12 16.310 -6.822 5.406 97 HD13 ILE 12 2HD1 ILE 12 16.665 -5.304 4.549 98 H TYR 13 H TYR 13 11.016 -4.828 2.261 99 HA TYR 13 HA TYR 13 9.468 -6.513 4.171 100 HD1 TYR 13 HD2 TYR 13 6.613 -4.147 1.913 101 HD2 TYR 13 HD1 TYR 13 9.530 -2.280 4.463 102 HE1 TYR 13 HE2 TYR 13 6.077 -1.950 0.929 103 HE2 TYR 13 HE1 TYR 13 8.968 -0.092 3.499 104 HH TYR 13 HH TYR 13 7.740 1.003 1.977 105 HB2 TYR 13 1HB TYR 13 7.367 -5.237 4.103 106 HB3 TYR 13 2HB TYR 13 8.643 -4.514 5.024 107 H GLN 14 H GLN 14 8.402 -8.015 3.204 108 HA GLN 14 HA GLN 14 8.956 -8.548 0.472 109 HB2 GLN 14 1HB GLN 14 8.259 -10.660 0.723 110 HB3 GLN 14 2HB GLN 14 8.838 -10.215 2.288 111 HG2 GLN 14 1HG GLN 14 5.869 -10.469 1.446 112 HG3 GLN 14 2HG GLN 14 6.836 -11.721 2.152 113 HE21 GLN 14 1HE2 GLN 14 5.012 -11.776 3.554 114 HE22 GLN 14 2HE2 GLN 14 5.182 -10.808 5.126 115 H GLY 15 H GLY 15 5.819 -7.549 1.665 116 HA2 GLY 15 1HA GLY 15 4.602 -7.386 -1.151 117 HA3 GLY 15 2HA GLY 15 3.836 -6.808 0.314 118 H ASN 16 H ASN 16 6.626 -6.241 -1.685 119 HA ASN 16 HA ASN 16 7.457 -3.877 -0.453 120 HB2 ASN 16 1HB ASN 16 8.646 -5.559 -2.182 121 HB3 ASN 16 2HB ASN 16 8.239 -4.352 -3.376 122 HD21 ASN 16 1HD2 ASN 16 9.822 -4.803 -0.242 123 HD22 ASN 16 2HD2 ASN 16 11.081 -3.492 -0.528 124 H LEU 17 H LEU 17 5.105 -3.848 -2.962 125 HA LEU 17 HA LEU 17 5.144 -0.887 -3.387 126 HG LEU 17 HG LEU 17 4.008 -4.127 -4.859 127 HB2 LEU 17 1HB LEU 17 2.818 -1.315 -4.423 128 HB3 LEU 17 2HB LEU 17 4.312 -1.724 -5.221 129 HD11 LEU 17 1HD1 LEU 17 1.291 -3.485 -3.520 130 HD12 LEU 17 2HD1 LEU 17 1.858 -5.080 -4.054 131 HD13 LEU 17 3HD1 LEU 17 2.689 -4.271 -2.735 132 HD21 LEU 17 3HD2 LEU 17 1.532 -2.731 -6.074 133 HD22 LEU 17 1HD2 LEU 17 3.092 -2.999 -6.885 134 HD23 LEU 17 2HD2 LEU 17 2.096 -4.386 -6.423 135 H ILE 18 H ILE 18 2.206 -2.455 -2.214 136 HA ILE 18 HA ILE 18 2.021 -0.256 -0.103 137 HB ILE 18 HB ILE 18 -0.053 -1.901 -1.646 138 HG12 ILE 18 1HG1 ILE 18 0.962 -0.068 -2.953 139 HG13 ILE 18 2HG1 ILE 18 -0.735 0.171 -2.660 140 HG21 ILE 18 1HG2 ILE 18 -1.084 -1.645 0.533 141 HG22 ILE 18 2HG2 ILE 18 -0.630 0.060 0.648 142 HG23 ILE 18 3HG2 ILE 18 -1.836 -0.469 -0.549 143 HD11 ILE 18 3HD1 ILE 18 0.543 2.296 -2.496 144 HD12 ILE 18 1HD1 ILE 18 -0.242 1.948 -0.944 145 HD13 ILE 18 2HD1 ILE 18 1.498 1.668 -1.142 146 H LYS 19 H LYS 19 2.754 -0.925 1.732 147 HA LYS 19 HA LYS 19 1.751 -3.547 3.001 148 HB2 LYS 19 1HB LYS 19 4.158 -3.493 2.298 149 HB3 LYS 19 2HB LYS 19 4.432 -2.089 3.307 150 HG2 LYS 19 1HG LYS 19 5.255 -3.682 4.692 151 HG3 LYS 19 2HG LYS 19 3.615 -3.614 5.329 152 HD2 LYS 19 1HD LYS 19 3.046 -5.617 3.770 153 HD3 LYS 19 2HD LYS 19 4.753 -5.686 3.320 154 HE2 LYS 19 1HE LYS 19 5.302 -5.967 5.870 155 HE3 LYS 19 2HE LYS 19 3.559 -6.017 6.167 156 HZ1 LYS 19 3HZ LYS 19 4.100 -8.311 5.877 157 HZ2 LYS 19 1HZ LYS 19 3.627 -7.969 4.338 158 HZ3 LYS 19 2HZ LYS 19 5.216 -8.073 4.696 159 H GLN 20 H GLN 20 -0.053 -2.545 4.108 160 HA GLN 20 HA GLN 20 0.316 -0.203 5.859 161 HB2 GLN 20 1HB GLN 20 -1.868 -0.942 4.783 162 HB3 GLN 20 2HB GLN 20 -1.983 -2.235 5.979 163 HG2 GLN 20 1HG GLN 20 -1.775 -0.397 7.825 164 HG3 GLN 20 2HG GLN 20 -1.822 0.811 6.552 165 HE21 GLN 20 1HE2 GLN 20 -3.508 0.973 8.523 166 HE22 GLN 20 2HE2 GLN 20 -5.215 0.548 7.919 167 H ASN 21 H ASN 21 2.221 -1.272 6.620 168 HA ASN 21 HA ASN 21 1.981 -1.517 9.569 169 HB2 ASN 21 1HB ASN 21 1.671 -3.958 8.843 170 HB3 ASN 21 2HB ASN 21 3.239 -3.958 8.093 171 HD21 ASN 21 1HD2 ASN 21 5.116 -3.689 9.642 172 HD22 ASN 21 2HD2 ASN 21 4.813 -4.271 11.359 173 H ALA 22 H ALA 22 4.439 -2.309 7.066 174 HA ALA 22 HA ALA 22 6.509 -0.515 8.241 175 HB1 ALA 22 3HB ALA 22 7.798 -1.025 6.204 176 HB2 ALA 22 1HB ALA 22 7.119 -2.517 6.865 177 HB3 ALA 22 2HB ALA 22 6.390 -1.762 5.422 178 H VAL 23 H VAL 23 4.166 -0.055 5.459 179 HA VAL 23 HA VAL 23 5.003 2.751 5.032 180 HB VAL 23 HB VAL 23 2.279 1.544 4.296 181 HG11 VAL 23 1HG1 VAL 23 2.257 3.452 2.583 182 HG12 VAL 23 2HG1 VAL 23 2.260 4.070 4.234 183 HG13 VAL 23 3HG1 VAL 23 3.755 4.090 3.283 184 HG21 VAL 23 3HG2 VAL 23 3.194 1.287 1.989 185 HG22 VAL 23 1HG2 VAL 23 4.819 1.793 2.531 186 HG23 VAL 23 2HG2 VAL 23 4.121 0.277 3.115 187 H GLU 24 H GLU 24 2.524 1.306 7.153 188 HA GLU 24 HA GLU 24 1.495 3.874 8.181 189 HB2 GLU 24 1HB GLU 24 0.409 1.543 8.214 190 HB3 GLU 24 2HB GLU 24 1.476 1.105 9.545 191 HG2 GLU 24 1HG GLU 24 0.408 2.867 10.991 192 HG3 GLU 24 2HG GLU 24 -0.492 3.507 9.614 193 H GLN 25 H GLN 25 4.147 1.788 9.298 194 HA GLN 25 HA GLN 25 4.929 3.688 11.477 195 HB2 GLN 25 1HB GLN 25 5.039 1.209 11.613 196 HB3 GLN 25 2HB GLN 25 6.249 1.126 10.353 197 HG2 GLN 25 1HG GLN 25 6.800 2.733 12.944 198 HG3 GLN 25 2HG GLN 25 6.792 0.991 12.973 199 HE21 GLN 25 1HE2 GLN 25 8.563 3.715 11.702 200 HE22 GLN 25 2HE2 GLN 25 10.053 2.684 11.362 201 H LEU 26 H LEU 26 6.171 3.316 8.152 202 HA LEU 26 HA LEU 26 8.793 3.778 8.580 203 HG LEU 26 HG LEU 26 6.147 4.515 5.991 204 HB2 LEU 26 1HB LEU 26 9.218 4.373 6.289 205 HB3 LEU 26 2HB LEU 26 8.177 3.014 6.568 206 HD11 LEU 26 1HD1 LEU 26 8.316 6.329 4.743 207 HD12 LEU 26 2HD1 LEU 26 6.544 6.466 4.532 208 HD13 LEU 26 3HD1 LEU 26 7.271 6.781 6.096 209 HD21 LEU 26 3HD2 LEU 26 8.274 3.990 3.788 210 HD22 LEU 26 1HD2 LEU 26 7.173 2.757 4.443 211 HD23 LEU 26 2HD2 LEU 26 6.515 4.136 3.550 212 H GLN 27 H GLN 27 6.800 6.543 8.748 213 HA GLN 27 HA GLN 27 7.323 8.899 8.791 214 HB2 GLN 27 1HB GLN 27 7.475 7.785 11.039 215 HB3 GLN 27 2HB GLN 27 9.222 7.755 10.894 216 HG2 GLN 27 1HG GLN 27 8.603 9.633 12.287 217 HG3 GLN 27 2HG GLN 27 9.285 10.278 10.817 218 HE21 GLN 27 1HE2 GLN 27 6.324 9.978 12.671 219 HE22 GLN 27 2HE2 GLN 27 5.429 11.211 11.635 220 H VAL 28 H VAL 28 8.372 8.450 6.583 221 HA VAL 28 HA VAL 28 11.106 9.842 6.481 222 HB VAL 28 HB VAL 28 9.570 8.294 4.291 223 HG11 VAL 28 1HG1 VAL 28 11.068 9.995 3.221 224 HG12 VAL 28 2HG1 VAL 28 12.439 9.493 4.235 225 HG13 VAL 28 3HG1 VAL 28 11.765 8.389 3.006 226 HG21 VAL 28 3HG2 VAL 28 11.383 6.558 4.524 227 HG22 VAL 28 1HG2 VAL 28 12.086 7.452 5.899 228 HG23 VAL 28 2HG2 VAL 28 10.472 6.714 6.029 229 H GLY 29 H GLY 29 11.198 11.888 5.860 230 HA2 GLY 29 1HA GLY 29 8.852 13.266 4.428 231 HA3 GLY 29 2HA GLY 29 9.655 14.035 5.765 232 H GLN 30 H GLN 30 10.593 12.387 2.761 233 HA GLN 30 HA GLN 30 12.601 14.636 2.208 234 HB2 GLN 30 1HB GLN 30 13.577 12.471 2.770 235 HB3 GLN 30 2HB GLN 30 12.696 11.648 1.493 236 HG2 GLN 30 1HG GLN 30 15.007 11.972 0.851 237 HG3 GLN 30 2HG GLN 30 13.966 12.801 -0.275 238 HE21 GLN 30 1HE2 GLN 30 14.069 15.133 -0.301 239 HE22 GLN 30 2HE2 GLN 30 15.499 15.962 0.509 240 H SER 31 H SER 31 10.635 12.360 0.203 241 HA SER 31 HA SER 31 10.296 14.586 -1.848 242 HG SER 31 HG SER 31 12.457 14.914 -2.872 243 HB2 SER 31 1HB SER 31 11.998 12.073 -2.385 244 HB3 SER 31 2HB SER 31 11.348 13.090 -3.682 245 H LYS 32 H LYS 32 8.396 14.453 -2.698 246 HA LYS 32 HA LYS 32 6.516 12.363 -2.626 247 HB2 LYS 32 1HB LYS 32 5.114 13.590 -4.095 248 HB3 LYS 32 2HB LYS 32 5.939 14.639 -2.966 249 HG2 LYS 32 1HG LYS 32 7.570 15.290 -4.869 250 HG3 LYS 32 2HG LYS 32 6.526 14.405 -5.991 251 HD2 LYS 32 1HD LYS 32 4.564 15.840 -5.386 252 HD3 LYS 32 2HD LYS 32 5.461 16.554 -4.055 253 HE2 LYS 32 1HE LYS 32 7.192 17.397 -5.920 254 HE3 LYS 32 2HE LYS 32 5.924 17.004 -7.091 255 HZ1 LYS 32 3HZ LYS 32 5.390 18.646 -4.606 256 HZ2 LYS 32 1HZ LYS 32 5.853 19.415 -5.954 257 HZ3 LYS 32 2HZ LYS 32 4.412 18.599 -5.888 258 H GLN 33 H GLN 33 8.615 12.958 -5.365 259 HA GLN 33 HA GLN 33 7.560 10.710 -7.010 260 HB2 GLN 33 1HB GLN 33 8.628 12.709 -7.967 261 HB3 GLN 33 2HB GLN 33 10.174 12.345 -7.202 262 HG2 GLN 33 1HG GLN 33 10.580 10.420 -8.595 263 HG3 GLN 33 2HG GLN 33 8.908 10.284 -9.091 264 HE21 GLN 33 1HE2 GLN 33 11.910 11.759 -9.887 265 HE22 GLN 33 2HE2 GLN 33 11.235 12.694 -11.322 266 H GLN 34 H GLN 34 10.148 10.867 -4.685 267 HA GLN 34 HA GLN 34 11.168 8.090 -5.197 268 HB2 GLN 34 1HB GLN 34 11.556 9.885 -2.718 269 HB3 GLN 34 2HB GLN 34 12.270 8.295 -2.929 270 HG2 GLN 34 1HG GLN 34 13.429 9.127 -5.072 271 HG3 GLN 34 2HG GLN 34 12.853 10.747 -4.728 272 HE21 GLN 34 1HE2 GLN 34 14.006 11.945 -3.102 273 HE22 GLN 34 2HE2 GLN 34 15.471 11.182 -2.277 274 H VAL 35 H VAL 35 8.946 9.457 -2.667 275 HA VAL 35 HA VAL 35 8.319 6.740 -1.674 276 HB VAL 35 HB VAL 35 8.223 8.794 -0.261 277 HG11 VAL 35 1HG1 VAL 35 6.880 10.350 -1.715 278 HG12 VAL 35 2HG1 VAL 35 5.450 9.326 -1.531 279 HG13 VAL 35 3HG1 VAL 35 6.157 10.139 -0.113 280 HG21 VAL 35 3HG2 VAL 35 7.264 6.617 0.495 281 HG22 VAL 35 1HG2 VAL 35 6.345 7.990 1.141 282 HG23 VAL 35 2HG2 VAL 35 5.694 7.044 -0.217 283 H SER 36 H SER 36 6.673 8.803 -4.069 284 HA SER 36 HA SER 36 4.450 6.865 -4.498 285 HG SER 36 HG SER 36 3.459 8.726 -7.327 286 HB2 SER 36 1HB SER 36 4.481 9.393 -5.133 287 HB3 SER 36 2HB SER 36 5.474 8.957 -6.531 288 H ALA 37 H ALA 37 7.607 7.226 -6.170 289 HA ALA 37 HA ALA 37 7.162 4.990 -8.053 290 HB1 ALA 37 3HB ALA 37 9.655 5.077 -8.340 291 HB2 ALA 37 1HB ALA 37 8.948 6.703 -8.379 292 HB3 ALA 37 2HB ALA 37 9.797 6.143 -6.921 293 H LEU 38 H LEU 38 8.569 5.019 -4.783 294 HA LEU 38 HA LEU 38 9.056 2.072 -4.695 295 HG LEU 38 HG LEU 38 11.050 2.010 -3.105 296 HB2 LEU 38 1HB LEU 38 9.064 4.331 -2.611 297 HB3 LEU 38 2HB LEU 38 8.958 2.684 -2.045 298 HD11 LEU 38 1HD1 LEU 38 11.191 3.623 -5.068 299 HD12 LEU 38 2HD1 LEU 38 11.468 4.963 -3.941 300 HD13 LEU 38 3HD1 LEU 38 12.649 3.645 -4.066 301 HD21 LEU 38 3HD2 LEU 38 12.532 3.324 -1.558 302 HD22 LEU 38 1HD2 LEU 38 11.290 4.586 -1.394 303 HD23 LEU 38 2HD2 LEU 38 10.989 2.952 -0.760 304 H LEU 39 H LEU 39 6.346 4.049 -3.419 305 HA LEU 39 HA LEU 39 4.753 1.719 -2.522 306 HG LEU 39 HG LEU 39 5.353 4.343 -1.121 307 HB2 LEU 39 1HB LEU 39 4.034 4.602 -3.312 308 HB3 LEU 39 2HB LEU 39 2.832 3.498 -2.698 309 HD11 LEU 39 1HD1 LEU 39 3.840 6.261 -1.522 310 HD12 LEU 39 2HD1 LEU 39 2.426 5.335 -0.970 311 HD13 LEU 39 3HD1 LEU 39 3.716 5.772 0.178 312 HD21 LEU 39 3HD2 LEU 39 2.817 2.962 -0.034 313 HD22 LEU 39 1HD2 LEU 39 4.335 2.096 -0.355 314 HD23 LEU 39 2HD2 LEU 39 4.290 3.374 0.854 315 H GLY 40 H GLY 40 4.936 3.328 -5.620 316 HA2 GLY 40 1HA GLY 40 4.615 1.837 -7.666 317 HA3 GLY 40 2HA GLY 40 3.288 1.024 -6.865 318 H THR 41 H THR 41 4.156 4.377 -7.703 319 HA THR 41 HA THR 41 1.738 4.822 -9.432 320 HB THR 41 HB THR 41 2.125 6.179 -6.671 321 HG1 THR 41 HG1 THR 41 0.982 3.982 -7.285 322 HG21 THR 41 3HG2 THR 41 -0.199 6.662 -8.659 323 HG22 THR 41 1HG2 THR 41 -0.032 7.321 -7.033 324 HG23 THR 41 2HG2 THR 41 1.074 7.859 -8.294 325 HA PRO 42 HA PRO 42 4.802 7.993 -10.942 326 HB2 PRO 42 1HB PRO 42 3.134 9.638 -12.472 327 HB3 PRO 42 2HB PRO 42 3.646 8.006 -12.948 328 HG2 PRO 42 1HG PRO 42 1.023 8.787 -11.529 329 HG3 PRO 42 2HG PRO 42 1.191 7.850 -13.039 330 HD2 PRO 42 1HD PRO 42 0.883 6.575 -10.621 331 HD3 PRO 42 2HD PRO 42 2.015 5.883 -11.809 332 H SER 43 H SER 43 4.995 10.454 -11.031 333 HA SER 43 HA SER 43 4.365 11.555 -8.294 334 HG SER 43 HG SER 43 7.453 12.577 -10.758 335 HB2 SER 43 1HB SER 43 6.280 12.988 -8.660 336 HB3 SER 43 2HB SER 43 6.699 11.345 -9.121 337 H ILE 44 H ILE 44 4.766 14.276 -9.202 338 HA ILE 44 HA ILE 44 1.996 14.921 -10.343 339 HB ILE 44 HB ILE 44 2.962 16.222 -7.728 340 HG12 ILE 44 1HG1 ILE 44 0.528 14.352 -8.124 341 HG13 ILE 44 2HG1 ILE 44 2.058 13.799 -7.472 342 HG21 ILE 44 1HG2 ILE 44 1.599 17.761 -9.271 343 HG22 ILE 44 2HG2 ILE 44 0.303 16.543 -9.311 344 HG23 ILE 44 3HG2 ILE 44 0.716 17.374 -7.794 345 HD11 ILE 44 3HD1 ILE 44 0.295 15.938 -6.131 346 HD12 ILE 44 1HD1 ILE 44 0.580 14.275 -5.615 347 HD13 ILE 44 2HD1 ILE 44 1.899 15.448 -5.557 348 HA PRO 45 HA PRO 45 5.406 17.628 -12.045 349 HB2 PRO 45 1HB PRO 45 5.160 17.165 -14.721 350 HB3 PRO 45 2HB PRO 45 5.723 15.908 -13.595 351 HG2 PRO 45 1HG PRO 45 2.846 16.292 -14.652 352 HG3 PRO 45 2HG PRO 45 3.827 14.802 -14.741 353 HD2 PRO 45 1HD PRO 45 2.009 15.265 -12.668 354 HD3 PRO 45 2HD PRO 45 3.522 14.344 -12.401 355 H ASP 46 H ASP 46 3.881 19.193 -10.991 356 HA ASP 46 HA ASP 46 2.929 21.183 -13.124 357 HB2 ASP 46 1HB ASP 46 1.014 20.523 -11.790 358 HB3 ASP 46 2HB ASP 46 1.818 20.939 -10.283 359 HA PRO 47 HA PRO 47 6.336 23.697 -11.098 360 HB2 PRO 47 1HB PRO 47 6.650 25.597 -13.058 361 HB3 PRO 47 2HB PRO 47 7.225 23.926 -13.248 362 HG2 PRO 47 1HG PRO 47 4.578 25.105 -14.298 363 HG3 PRO 47 2HG PRO 47 5.795 24.194 -15.232 364 HD2 PRO 47 1HD PRO 47 3.522 23.024 -14.087 365 HD3 PRO 47 2HD PRO 47 5.039 22.091 -14.307 366 H PHE 48 H PHE 48 2.989 24.513 -11.702 367 HA PHE 48 HA PHE 48 3.186 27.261 -10.459 368 HD1 PHE 48 HD1 PHE 48 0.652 27.805 -8.853 369 HD2 PHE 48 HD2 PHE 48 0.295 28.202 -13.130 370 HE1 PHE 48 HE1 PHE 48 -0.600 29.894 -8.561 371 HE2 PHE 48 HE2 PHE 48 -0.941 30.298 -12.821 372 HZ PHE 48 HZ PHE 48 -1.398 31.155 -10.540 373 HB2 PHE 48 1HB PHE 48 1.565 26.431 -12.334 374 HB3 PHE 48 2HB PHE 48 0.646 25.650 -11.093 375 H HIS 49 H HIS 49 1.278 24.331 -9.424 376 HA HIS 49 HA HIS 49 2.757 24.330 -6.857 377 HD1 HIS 49 HD1 HIS 49 2.645 23.236 -4.654 378 HD2 HIS 49 HD2 HIS 49 -0.685 25.822 -4.007 379 HE1 HIS 49 HE1 HIS 49 2.035 23.282 -2.157 380 HB2 HIS 49 1HB HIS 49 1.073 26.103 -6.377 381 HB3 HIS 49 2HB HIS 49 -0.225 24.936 -6.592 382 H ALA 50 H ALA 50 3.254 22.300 -7.812 383 HA ALA 50 HA ALA 50 1.353 20.102 -7.893 384 HB1 ALA 50 3HB ALA 50 4.411 20.187 -7.597 385 HB2 ALA 50 1HB ALA 50 3.467 18.682 -7.826 386 HB3 ALA 50 2HB ALA 50 3.412 19.953 -9.036 387 H GLN 51 H GLN 51 0.144 19.858 -6.278 388 HA GLN 51 HA GLN 51 0.827 20.302 -3.415 389 HB2 GLN 51 1HB GLN 51 -1.738 19.657 -5.023 390 HB3 GLN 51 2HB GLN 51 -1.799 19.913 -3.304 391 HG2 GLN 51 1HG GLN 51 -1.177 22.174 -3.336 392 HG3 GLN 51 2HG GLN 51 -0.444 22.109 -4.910 393 HE21 GLN 51 1HE2 GLN 51 -1.691 22.620 -6.652 394 HE22 GLN 51 2HE2 GLN 51 -3.505 22.941 -6.526 395 H ARG 52 H ARG 52 -1.079 18.643 -2.177 396 HA ARG 52 HA ARG 52 0.168 16.154 -1.447 397 HE ARG 52 HE ARG 52 -3.697 19.353 -0.081 398 HB2 ARG 52 1HB ARG 52 -1.850 15.692 -0.281 399 HB3 ARG 52 2HB ARG 52 -1.701 17.404 -0.262 400 HG2 ARG 52 1HG ARG 52 -3.336 16.913 -2.577 401 HG3 ARG 52 2HG ARG 52 -3.661 15.548 -1.573 402 HD2 ARG 52 1HD ARG 52 -5.391 17.130 -1.144 403 HD3 ARG 52 2HD ARG 52 -4.422 17.068 0.286 404 HH11 ARG 52 2HH2 ARG 52 -5.366 18.236 -3.049 405 HH12 ARG 52 1HH2 ARG 52 -5.140 19.916 -3.742 406 HH21 ARG 52 2HH1 ARG 52 -3.639 21.205 -0.966 407 HH22 ARG 52 1HH1 ARG 52 -4.162 21.430 -2.701 408 H TRP 53 H TRP 53 -0.492 14.005 -1.921 409 HA TRP 53 HA TRP 53 -1.370 13.433 -4.818 410 HD1 TRP 53 HD1 TRP 53 -2.567 10.413 -5.031 411 HE1 TRP 53 HE1 TRP 53 -2.256 7.832 -5.135 412 HE3 TRP 53 HE3 TRP 53 2.196 10.317 -3.123 413 HZ2 TRP 53 HZ2 TRP 53 -0.112 6.060 -4.406 414 HZ3 TRP 53 HZ3 TRP 53 3.259 8.126 -2.724 415 HH2 TRP 53 HH2 TRP 53 2.116 6.036 -3.313 416 HB2 TRP 53 1HB TRP 53 0.637 12.348 -4.302 417 HB3 TRP 53 2HB TRP 53 0.098 11.855 -2.704 418 H ASP 54 H ASP 54 -3.468 14.368 -4.218 419 HA ASP 54 HA ASP 54 -5.298 12.533 -2.675 420 HB2 ASP 54 1HB ASP 54 -6.983 14.339 -3.138 421 HB3 ASP 54 2HB ASP 54 -5.640 14.700 -2.101 422 H TYR 55 H TYR 55 -4.464 11.012 -4.548 423 HA TYR 55 HA TYR 55 -6.524 10.962 -6.816 424 HD1 TYR 55 HD2 TYR 55 -6.109 12.801 -8.462 425 HD2 TYR 55 HD1 TYR 55 -2.131 12.265 -6.893 426 HE1 TYR 55 HE2 TYR 55 -5.857 15.227 -8.231 427 HE2 TYR 55 HE1 TYR 55 -1.901 14.709 -6.705 428 HH TYR 55 HH TYR 55 -4.298 16.264 -6.077 429 HB2 TYR 55 1HB TYR 55 -3.509 10.337 -7.109 430 HB3 TYR 55 2HB TYR 55 -4.705 10.373 -8.384 431 H THR 56 H THR 56 -7.301 9.057 -7.446 432 HA THR 56 HA THR 56 -6.717 6.594 -5.908 433 HB THR 56 HB THR 56 -8.539 6.922 -8.355 434 HG1 THR 56 HG1 THR 56 -9.503 6.683 -5.784 435 HG21 THR 56 3HG2 THR 56 -9.747 4.951 -7.380 436 HG22 THR 56 1HG2 THR 56 -8.088 4.488 -7.791 437 HG23 THR 56 2HG2 THR 56 -8.522 4.783 -6.098 438 H SER 57 H SER 57 -4.664 5.950 -6.269 439 HA SER 57 HA SER 57 -3.699 5.030 -8.953 440 HG SER 57 HG SER 57 -3.324 4.331 -5.414 441 HB2 SER 57 1HB SER 57 -1.783 4.197 -7.826 442 HB3 SER 57 2HB SER 57 -2.150 5.732 -7.055 443 H THR 58 H THR 58 -3.494 2.825 -9.564 444 HA THR 58 HA THR 58 -4.933 0.724 -8.021 445 HB THR 58 HB THR 58 -6.834 1.808 -9.049 446 HG1 THR 58 HG1 THR 58 -6.713 -0.492 -8.694 447 HG21 THR 58 3HG2 THR 58 -5.890 2.623 -11.258 448 HG22 THR 58 1HG2 THR 58 -5.789 0.935 -11.819 449 HG23 THR 58 2HG2 THR 58 -7.364 1.653 -11.418 450 H GLN 59 H GLN 59 -4.519 -1.269 -8.561 451 HA GLN 59 HA GLN 59 -2.645 -1.904 -10.911 452 HB2 GLN 59 1HB GLN 59 -2.656 -3.234 -8.131 453 HB3 GLN 59 2HB GLN 59 -2.065 -4.036 -9.567 454 HG2 GLN 59 1HG GLN 59 -0.148 -3.218 -8.575 455 HG3 GLN 59 2HG GLN 59 -0.374 -2.219 -9.982 456 HE21 GLN 59 1HE2 GLN 59 -0.670 0.050 -9.603 457 HE22 GLN 59 2HE2 GLN 59 -0.322 0.724 -7.927 458 H ARG 60 H ARG 60 -3.792 -2.878 -12.386 459 HA ARG 60 HA ARG 60 -5.669 -3.830 -13.515 460 HE ARG 60 HE ARG 60 -2.324 -6.347 -15.774 461 HB2 ARG 60 1HB ARG 60 -4.457 -5.919 -11.667 462 HB3 ARG 60 2HB ARG 60 -5.659 -6.372 -12.842 463 HG2 ARG 60 1HG ARG 60 -2.997 -5.012 -13.601 464 HG3 ARG 60 2HG ARG 60 -3.296 -6.748 -13.536 465 HD2 ARG 60 1HD ARG 60 -5.198 -6.454 -15.249 466 HD3 ARG 60 2HD ARG 60 -4.739 -4.753 -15.423 467 HH11 ARG 60 2HH2 ARG 60 -5.369 -5.721 -17.547 468 HH12 ARG 60 1HH2 ARG 60 -4.544 -6.280 -19.082 469 HH21 ARG 60 2HH1 ARG 60 -1.532 -6.903 -17.586 470 HH22 ARG 60 1HH1 ARG 60 -2.533 -6.870 -19.105 471 H VAL 61 H VAL 61 -7.133 -2.246 -12.235 472 HA VAL 61 HA VAL 61 -9.510 -3.725 -11.238 473 HB VAL 61 HB VAL 61 -8.931 -1.481 -10.465 474 HG11 VAL 61 1HG1 VAL 61 -10.001 -0.320 -13.124 475 HG12 VAL 61 2HG1 VAL 61 -9.517 0.560 -11.663 476 HG13 VAL 61 3HG1 VAL 61 -8.300 -0.300 -12.622 477 HG21 VAL 61 3HG2 VAL 61 -11.263 -0.676 -10.325 478 HG22 VAL 61 1HG2 VAL 61 -11.752 -1.717 -11.687 479 HG23 VAL 61 2HG2 VAL 61 -11.184 -2.440 -10.161 480 H ASP 62 H ASP 62 -8.987 -5.021 -12.965 481 HA ASP 62 HA ASP 62 -10.018 -4.463 -15.751 482 HB2 ASP 62 1HB ASP 62 -7.551 -4.705 -14.865 483 HB3 ASP 62 2HB ASP 62 -7.864 -6.412 -14.631 484 H ARG 63 H ARG 63 -9.925 -6.648 -16.946 485 HA ARG 63 HA ARG 63 -11.981 -8.645 -15.951 486 HE ARG 63 HE ARG 63 -10.945 -10.931 -20.011 487 HB2 ARG 63 1HB ARG 63 -11.951 -9.710 -18.080 488 HB3 ARG 63 2HB ARG 63 -12.346 -8.014 -18.243 489 HG2 ARG 63 1HG ARG 63 -10.020 -7.503 -19.070 490 HG3 ARG 63 2HG ARG 63 -9.534 -9.169 -18.887 491 HD2 ARG 63 1HD ARG 63 -11.840 -8.219 -20.729 492 HD3 ARG 63 2HD ARG 63 -10.154 -8.432 -21.248 493 HH11 ARG 63 2HH2 ARG 63 -11.798 -9.104 -22.841 494 HH12 ARG 63 1HH2 ARG 63 -12.320 -10.604 -23.748 495 HH21 ARG 63 2HH1 ARG 63 -11.539 -12.613 -21.062 496 HH22 ARG 63 1HH1 ARG 63 -12.168 -12.492 -22.764 497 H LEU 64 H LEU 64 -8.495 -8.283 -16.456 498 HA LEU 64 HA LEU 64 -7.844 -11.066 -15.552 499 HG LEU 64 HG LEU 64 -4.650 -9.776 -17.128 500 HB2 LEU 64 1HB LEU 64 -6.226 -8.467 -15.868 501 HB3 LEU 64 2HB LEU 64 -5.549 -9.777 -14.947 502 HD11 LEU 64 1HD1 LEU 64 -4.928 -11.992 -15.966 503 HD12 LEU 64 2HD1 LEU 64 -6.448 -12.277 -16.843 504 HD13 LEU 64 3HD1 LEU 64 -4.925 -12.156 -17.726 505 HD21 LEU 64 3HD2 LEU 64 -5.872 -10.229 -19.210 506 HD22 LEU 64 1HD2 LEU 64 -7.423 -10.345 -18.352 507 HD23 LEU 64 2HD2 LEU 64 -6.571 -8.790 -18.434 508 H ALA 65 H ALA 65 -8.012 -11.762 -13.601 509 HA ALA 65 HA ALA 65 -9.272 -10.089 -11.551 510 HB1 ALA 65 3HB ALA 65 -8.566 -13.084 -11.519 511 HB2 ALA 65 1HB ALA 65 -9.674 -12.257 -10.406 512 HB3 ALA 65 2HB ALA 65 -10.055 -12.305 -12.135 513 H ARG 66 H ARG 66 -7.443 -8.734 -11.245 514 HA ARG 66 HA ARG 66 -6.481 -9.262 -8.415 515 HE ARG 66 HE ARG 66 -2.517 -5.943 -7.296 516 HB2 ARG 66 1HB ARG 66 -4.571 -10.005 -9.805 517 HB3 ARG 66 2HB ARG 66 -4.516 -8.489 -10.674 518 HG2 ARG 66 1HG ARG 66 -4.282 -8.139 -7.671 519 HG3 ARG 66 2HG ARG 66 -3.073 -9.227 -8.316 520 HD2 ARG 66 1HD ARG 66 -2.289 -7.462 -9.964 521 HD3 ARG 66 2HD ARG 66 -3.581 -6.399 -9.460 522 HH11 ARG 66 2HH2 ARG 66 -0.564 -8.212 -9.123 523 HH12 ARG 66 1HH2 ARG 66 0.872 -7.915 -7.977 524 HH21 ARG 66 2HH1 ARG 66 -1.059 -5.752 -6.103 525 HH22 ARG 66 1HH1 ARG 66 0.599 -6.614 -6.301 526 H THR 67 H THR 67 -8.472 -7.851 -8.492 527 HA THR 67 HA THR 67 -8.134 -5.097 -9.535 528 HB THR 67 HB THR 67 -10.484 -4.770 -9.078 529 HG1 THR 67 HG1 THR 67 -10.446 -6.090 -7.154 530 HG21 THR 67 3HG2 THR 67 -10.143 -7.567 -10.326 531 HG22 THR 67 1HG2 THR 67 -11.444 -6.398 -10.613 532 HG23 THR 67 2HG2 THR 67 -9.791 -6.057 -11.188 533 H GLU 68 H GLU 68 -6.618 -4.133 -8.236 534 HA GLU 68 HA GLU 68 -7.294 -3.619 -5.340 535 HB2 GLU 68 1HB GLU 68 -4.724 -3.309 -7.018 536 HB3 GLU 68 2HB GLU 68 -4.881 -2.842 -5.343 537 HG2 GLU 68 1HG GLU 68 -5.556 -5.280 -4.769 538 HG3 GLU 68 2HG GLU 68 -5.202 -5.711 -6.432 539 H ILE 69 H ILE 69 -8.380 -1.850 -4.968 540 HA ILE 69 HA ILE 69 -7.929 0.759 -6.470 541 HB ILE 69 HB ILE 69 -10.046 -0.077 -4.369 542 HG12 ILE 69 1HG1 ILE 69 -11.628 0.483 -6.388 543 HG13 ILE 69 2HG1 ILE 69 -10.220 0.418 -7.433 544 HG21 ILE 69 1HG2 ILE 69 -9.575 2.400 -4.159 545 HG22 ILE 69 2HG2 ILE 69 -9.870 2.610 -5.903 546 HG23 ILE 69 3HG2 ILE 69 -11.173 2.070 -4.811 547 HD11 ILE 69 3HD1 ILE 69 -11.236 -1.934 -5.672 548 HD12 ILE 69 1HD1 ILE 69 -11.643 -1.680 -7.380 549 HD13 ILE 69 2HD1 ILE 69 -9.980 -2.051 -6.926 550 H LYS 70 H LYS 70 -6.457 2.161 -5.686 551 HA LYS 70 HA LYS 70 -5.620 2.072 -2.742 552 HB2 LYS 70 1HB LYS 70 -3.898 1.772 -5.265 553 HB3 LYS 70 2HB LYS 70 -3.201 2.272 -3.735 554 HG2 LYS 70 1HG LYS 70 -3.671 0.221 -2.612 555 HG3 LYS 70 2HG LYS 70 -4.870 -0.307 -3.787 556 HD2 LYS 70 1HD LYS 70 -3.220 -0.703 -5.526 557 HD3 LYS 70 2HD LYS 70 -1.924 0.051 -4.599 558 HE2 LYS 70 1HE LYS 70 -2.131 -1.741 -2.798 559 HE3 LYS 70 2HE LYS 70 -3.456 -2.491 -3.644 560 HZ1 LYS 70 3HZ LYS 70 -0.828 -3.123 -4.138 561 HZ2 LYS 70 1HZ LYS 70 -2.042 -3.455 -5.193 562 HZ3 LYS 70 2HZ LYS 70 -1.137 -2.088 -5.415 563 H ASN 71 H ASN 71 -6.997 3.923 -2.642 564 HA ASN 71 HA ASN 71 -5.825 6.492 -3.793 565 HB2 ASN 71 1HB ASN 71 -7.833 7.627 -3.146 566 HB3 ASN 71 2HB ASN 71 -8.078 6.287 -4.221 567 HD21 ASN 71 1HD2 ASN 71 -8.528 7.206 -0.894 568 HD22 ASN 71 2HD2 ASN 71 -9.915 6.049 -0.623 569 H PHE 72 H PHE 72 -3.957 6.073 -2.538 570 HA PHE 72 HA PHE 72 -3.887 6.621 0.395 571 HD1 PHE 72 HD2 PHE 72 -1.919 5.078 1.702 572 HD2 PHE 72 HD1 PHE 72 0.168 7.710 -0.976 573 HE1 PHE 72 HE2 PHE 72 -0.015 5.153 3.263 574 HE2 PHE 72 HE1 PHE 72 2.054 7.810 0.605 575 HZ PHE 72 HZ PHE 72 1.975 6.528 2.723 576 HB2 PHE 72 1HB PHE 72 -2.333 5.117 -0.877 577 HB3 PHE 72 2HB PHE 72 -1.719 6.466 -1.804 578 H THR 73 H THR 73 -4.464 8.639 1.068 579 HA THR 73 HA THR 73 -3.921 11.063 -0.701 580 HB THR 73 HB THR 73 -5.701 10.916 1.760 581 HG1 THR 73 HG1 THR 73 -6.155 9.840 -0.343 582 HG21 THR 73 3HG2 THR 73 -6.556 13.125 0.857 583 HG22 THR 73 1HG2 THR 73 -4.883 13.262 1.432 584 HG23 THR 73 2HG2 THR 73 -5.210 13.197 -0.309 585 H VAL 74 H VAL 74 -1.856 11.505 -0.467 586 HA VAL 74 HA VAL 74 -0.681 11.858 2.336 587 HB VAL 74 HB VAL 74 0.236 9.931 1.442 588 HG11 VAL 74 1HG1 VAL 74 1.733 9.830 -0.566 589 HG12 VAL 74 2HG1 VAL 74 0.065 10.204 -1.028 590 HG13 VAL 74 3HG1 VAL 74 1.291 11.496 -0.986 591 HG21 VAL 74 3HG2 VAL 74 1.821 11.555 2.729 592 HG22 VAL 74 1HG2 VAL 74 2.649 10.383 1.675 593 HG23 VAL 74 2HG2 VAL 74 2.440 12.077 1.159 594 H PHE 75 H PHE 75 0.197 13.593 2.903 595 HA PHE 75 HA PHE 75 -0.195 16.034 1.163 596 HD1 PHE 75 HD1 PHE 75 -1.917 14.133 4.195 597 HD2 PHE 75 HD2 PHE 75 -1.971 18.046 2.400 598 HE1 PHE 75 HE1 PHE 75 -4.365 14.106 4.215 599 HE2 PHE 75 HE2 PHE 75 -4.426 18.016 2.441 600 HZ PHE 75 HZ PHE 75 -5.641 16.050 3.354 601 HB2 PHE 75 1HB PHE 75 0.199 15.626 4.203 602 HB3 PHE 75 2HB PHE 75 0.123 17.206 3.462 603 H PHE 76 H PHE 76 1.326 17.315 0.486 604 HA PHE 76 HA PHE 76 4.214 17.038 1.437 605 HD1 PHE 76 HD1 PHE 76 5.600 14.964 0.142 606 HD2 PHE 76 HD2 PHE 76 2.227 15.726 -2.399 607 HE1 PHE 76 HE1 PHE 76 5.366 12.537 -0.313 608 HE2 PHE 76 HE2 PHE 76 2.057 13.338 -2.896 609 HZ PHE 76 HZ PHE 76 3.621 11.724 -1.827 610 HB2 PHE 76 1HB PHE 76 3.388 17.598 -1.487 611 HB3 PHE 76 2HB PHE 76 5.006 17.369 -0.864 612 H GLU 77 H GLU 77 5.387 18.993 1.498 613 HA GLU 77 HA GLU 77 3.722 21.451 1.781 614 HB2 GLU 77 1HB GLU 77 5.256 22.417 2.944 615 HB3 GLU 77 2HB GLU 77 5.848 20.804 3.174 616 HG2 GLU 77 1HG GLU 77 7.025 22.953 1.284 617 HG3 GLU 77 2HG GLU 77 7.579 22.541 2.881 618 H ASN 78 H ASN 78 6.475 20.945 -0.252 619 HA ASN 78 HA ASN 78 4.562 21.095 -2.551 620 HB2 ASN 78 1HB ASN 78 6.007 23.233 -2.705 621 HB3 ASN 78 2HB ASN 78 7.396 22.219 -3.026 622 HD21 ASN 78 1HD2 ASN 78 5.275 24.071 -4.575 623 HD22 ASN 78 2HD2 ASN 78 5.315 23.187 -6.183 624 H GLU 79 H GLU 79 7.928 20.114 -1.657 625 HA GLU 79 HA GLU 79 7.451 17.524 -3.205 626 HB2 GLU 79 1HB GLU 79 9.533 19.072 -3.783 627 HB3 GLU 79 2HB GLU 79 10.233 18.424 -2.309 628 HG2 GLU 79 1HG GLU 79 9.561 16.024 -3.410 629 HG3 GLU 79 2HG GLU 79 9.402 16.952 -4.890 630 H GLN 80 H GLN 80 8.392 18.652 0.130 631 HA GLN 80 HA GLN 80 9.270 15.821 0.725 632 HB2 GLN 80 1HB GLN 80 10.524 16.503 2.455 633 HB3 GLN 80 2HB GLN 80 10.661 17.858 1.375 634 HG2 GLN 80 1HG GLN 80 8.784 19.009 2.868 635 HG3 GLN 80 2HG GLN 80 8.980 17.667 3.963 636 HE21 GLN 80 1HE2 GLN 80 10.423 20.582 2.787 637 HE22 GLN 80 2HE2 GLN 80 11.810 20.552 4.028 638 H VAL 81 H VAL 81 8.512 14.591 2.463 639 HA VAL 81 HA VAL 81 5.544 14.670 2.273 640 HB VAL 81 HB VAL 81 6.916 12.418 3.828 641 HG11 VAL 81 1HG1 VAL 81 4.453 12.417 3.652 642 HG12 VAL 81 2HG1 VAL 81 4.537 12.496 1.885 643 HG13 VAL 81 3HG1 VAL 81 5.120 11.049 2.744 644 HG21 VAL 81 3HG2 VAL 81 7.289 11.091 1.724 645 HG22 VAL 81 1HG2 VAL 81 7.153 12.593 0.763 646 HG23 VAL 81 2HG2 VAL 81 8.427 12.411 1.947 647 H VAL 82 H VAL 82 4.134 15.143 3.698 648 HA VAL 82 HA VAL 82 4.983 15.976 6.487 649 HB VAL 82 HB VAL 82 2.527 16.717 4.798 650 HG11 VAL 82 1HG1 VAL 82 3.393 17.886 7.535 651 HG12 VAL 82 2HG1 VAL 82 2.088 18.502 6.491 652 HG13 VAL 82 3HG1 VAL 82 1.941 16.911 7.250 653 HG21 VAL 82 3HG2 VAL 82 3.606 18.792 4.317 654 HG22 VAL 82 1HG2 VAL 82 4.802 18.630 5.641 655 HG23 VAL 82 2HG2 VAL 82 4.950 17.660 4.182 656 H ARG 83 H ARG 83 2.024 14.396 5.137 657 HA ARG 83 HA ARG 83 2.152 12.144 6.981 658 HE ARG 83 HE ARG 83 -2.774 12.516 7.709 659 HB2 ARG 83 1HB ARG 83 0.230 12.487 8.459 660 HB3 ARG 83 2HB ARG 83 1.547 13.580 8.741 661 HG2 ARG 83 1HG ARG 83 -0.263 14.938 9.064 662 HG3 ARG 83 2HG ARG 83 0.268 15.417 7.475 663 HD2 ARG 83 1HD ARG 83 -2.139 15.344 7.383 664 HD3 ARG 83 2HD ARG 83 -1.539 14.043 6.403 665 HH11 ARG 83 2HH2 ARG 83 -2.289 15.343 9.669 666 HH12 ARG 83 1HH2 ARG 83 -3.492 14.739 10.918 667 HH21 ARG 83 2HH1 ARG 83 -4.038 11.910 8.999 668 HH22 ARG 83 1HH1 ARG 83 -4.461 12.818 10.568 669 H TRP 84 H TRP 84 0.220 10.710 6.903 670 HA TRP 84 HA TRP 84 -0.985 10.762 4.124 671 HD1 TRP 84 HD1 TRP 84 0.330 6.383 5.511 672 HE1 TRP 84 HE1 TRP 84 2.540 5.641 6.747 673 HE3 TRP 84 HE3 TRP 84 3.083 10.615 4.608 674 HZ2 TRP 84 HZ2 TRP 84 4.969 6.879 7.348 675 HZ3 TRP 84 HZ3 TRP 84 5.427 10.695 5.418 676 HH2 TRP 84 HH2 TRP 84 6.340 8.898 6.770 677 HB2 TRP 84 1HB TRP 84 -0.180 8.462 3.680 678 HB3 TRP 84 2HB TRP 84 1.005 9.735 3.636 679 H GLU 85 H GLU 85 -2.865 10.082 3.911 680 HA GLU 85 HA GLU 85 -4.226 8.310 6.017 681 HB2 GLU 85 1HB GLU 85 -5.244 10.407 4.019 682 HB3 GLU 85 2HB GLU 85 -6.321 9.144 4.574 683 HG2 GLU 85 1HG GLU 85 -6.644 11.112 5.936 684 HG3 GLU 85 2HG GLU 85 -6.082 9.780 6.931 685 H GLY 86 H GLY 86 -3.881 6.299 5.466 686 HA2 GLY 86 1HA GLY 86 -3.902 5.258 2.631 687 HA3 GLY 86 2HA GLY 86 -3.587 4.316 4.064 688 H ASP 87 H ASP 87 -6.162 5.949 2.363 689 HA ASP 87 HA ASP 87 -8.157 3.729 3.056 690 HB2 ASP 87 1HB ASP 87 -8.902 6.104 3.100 691 HB3 ASP 87 2HB ASP 87 -8.539 6.292 1.392 692 H TYR 88 H TYR 88 -7.137 2.064 2.128 693 HA TYR 88 HA TYR 88 -6.916 1.804 -0.873 694 HD1 TYR 88 HD2 TYR 88 -5.126 0.956 2.636 695 HD2 TYR 88 HD1 TYR 88 -2.401 2.806 -0.156 696 HE1 TYR 88 HE2 TYR 88 -3.362 0.876 4.292 697 HE2 TYR 88 HE1 TYR 88 -0.630 2.696 1.525 698 HH TYR 88 HH TYR 88 -0.108 2.162 3.626 699 HB2 TYR 88 1HB TYR 88 -4.524 1.463 -0.916 700 HB3 TYR 88 2HB TYR 88 -4.960 3.066 -0.385 701 H PHE 89 H PHE 89 -6.440 -0.305 -1.653 702 HA PHE 89 HA PHE 89 -6.969 -2.643 0.024 703 HD1 PHE 89 HD2 PHE 89 -8.647 -1.441 -2.230 704 HD2 PHE 89 HD1 PHE 89 -7.086 -5.437 -2.696 705 HE1 PHE 89 HE2 PHE 89 -10.843 -2.220 -2.985 706 HE2 PHE 89 HE1 PHE 89 -9.294 -6.196 -3.448 707 HZ PHE 89 HZ PHE 89 -11.179 -4.598 -3.605 708 HB2 PHE 89 1HB PHE 89 -5.886 -2.232 -2.802 709 HB3 PHE 89 2HB PHE 89 -5.582 -3.771 -2.065 710 HA PRO 90 HA PRO 90 -2.691 -2.603 1.835 711 HB2 PRO 90 1HB PRO 90 -3.119 -4.036 4.121 712 HB3 PRO 90 2HB PRO 90 -3.859 -2.443 3.843 713 HG2 PRO 90 1HG PRO 90 -5.174 -5.195 3.354 714 HG3 PRO 90 2HG PRO 90 -5.818 -3.849 4.339 715 HD2 PRO 90 1HD PRO 90 -6.545 -4.187 1.660 716 HD3 PRO 90 2HD PRO 90 -6.387 -2.566 2.402 717 H SER 91 H SER 91 -2.233 -3.775 -0.113 718 HA SER 91 HA SER 91 -2.164 -6.592 -0.442 719 HG SER 91 HG SER 91 -2.709 -5.281 -3.168 720 HB2 SER 91 1HB SER 91 -0.360 -4.544 -1.869 721 HB3 SER 91 2HB SER 91 -0.852 -6.124 -2.491 722 H GLN 92 H GLN 92 -1.168 -6.640 1.798 723 HA GLN 92 HA GLN 92 1.631 -6.299 2.150 724 HB2 GLN 92 1HB GLN 92 -0.238 -7.856 4.056 725 HB3 GLN 92 2HB GLN 92 1.323 -7.201 4.491 726 HG2 GLN 92 1HG GLN 92 0.101 -4.870 3.577 727 HG3 GLN 92 2HG GLN 92 -1.305 -5.761 4.080 728 HE21 GLN 92 1HE2 GLN 92 -1.825 -5.366 6.194 729 HE22 GLN 92 2HE2 GLN 92 -0.634 -4.637 7.386 730 H ASP 93 H ASP 93 1.292 -8.414 0.369 731 HA ASP 93 HA ASP 93 3.729 -9.759 0.799 732 HB2 ASP 93 1HB ASP 93 2.349 -11.189 2.491 733 HB3 ASP 93 2HB ASP 93 1.580 -11.951 1.108 734 H GLU 94 H GLU 94 4.229 -9.429 -1.210 735 HA GLU 94 HA GLU 94 2.695 -10.863 -3.428 736 HB2 GLU 94 1HB GLU 94 2.356 -8.410 -3.584 737 HB3 GLU 94 2HB GLU 94 4.086 -8.140 -3.789 738 HG2 GLU 94 1HG GLU 94 4.106 -9.362 -5.938 739 HG3 GLU 94 2HG GLU 94 2.504 -10.024 -5.667 740 H GLN 95 H GLN 95 4.011 -12.572 -2.744 741 HA GLN 95 HA GLN 95 6.814 -12.585 -4.029 742 HB2 GLN 95 1HB GLN 95 5.785 -14.089 -1.538 743 HB3 GLN 95 2HB GLN 95 7.331 -14.407 -2.302 744 HG2 GLN 95 1HG GLN 95 6.494 -11.722 -1.016 745 HG3 GLN 95 2HG GLN 95 7.438 -12.972 -0.262 746 HE21 GLN 95 1HE2 GLN 95 7.543 -10.505 -2.785 747 HE22 GLN 95 2HE2 GLN 95 9.388 -10.496 -2.818 748 H LEU 96 H LEU 96 5.541 -13.025 -5.886 749 HA LEU 96 HA LEU 96 4.250 -15.621 -6.297 750 HG LEU 96 HG LEU 96 4.459 -15.743 -9.434 751 HB2 LEU 96 1HB LEU 96 3.748 -13.464 -7.483 752 HB3 LEU 96 2HB LEU 96 5.274 -13.579 -8.351 753 HD11 LEU 96 1HD1 LEU 96 2.707 -16.476 -7.783 754 HD12 LEU 96 2HD1 LEU 96 1.759 -15.007 -8.099 755 HD13 LEU 96 3HD1 LEU 96 1.984 -16.225 -9.374 756 HD21 LEU 96 3HD2 LEU 96 4.278 -13.509 -10.575 757 HD22 LEU 96 1HD2 LEU 96 2.916 -14.559 -11.010 758 HD23 LEU 96 2HD2 LEU 96 2.683 -13.242 -9.839 759 H ALA 97 H ALA 97 5.888 -16.964 -5.457 760 HA ALA 97 HA ALA 97 8.499 -17.332 -6.626 761 HB1 ALA 97 3HB ALA 97 6.923 -19.179 -4.724 762 HB2 ALA 97 1HB ALA 97 8.676 -19.206 -4.994 763 HB3 ALA 97 2HB ALA 97 7.923 -17.775 -4.268 764 H LYS 98 H LYS 98 8.180 -17.651 -8.793 765 HA LYS 98 HA LYS 98 8.114 -20.521 -9.685 766 HB2 LYS 98 1HB LYS 98 6.357 -20.262 -11.398 767 HB3 LYS 98 2HB LYS 98 5.803 -20.169 -9.755 768 HG2 LYS 98 1HG LYS 98 4.517 -18.683 -11.021 769 HG3 LYS 98 2HG LYS 98 5.439 -17.726 -9.895 770 HD2 LYS 98 1HD LYS 98 6.540 -18.144 -12.736 771 HD3 LYS 98 2HD LYS 98 5.115 -17.139 -12.562 772 HE2 LYS 98 1HE LYS 98 6.206 -15.474 -11.186 773 HE3 LYS 98 2HE LYS 98 7.551 -16.519 -10.781 774 HZ1 LYS 98 3HZ LYS 98 8.312 -15.065 -12.583 775 HZ2 LYS 98 1HZ LYS 98 8.151 -16.574 -13.237 776 HZ3 LYS 98 2HZ LYS 98 7.014 -15.426 -13.544 777 H ALA 99 H ALA 99 8.619 -20.825 -11.966 778 HA ALA 99 HA ALA 99 11.123 -19.675 -12.561 779 HB1 ALA 99 3HB ALA 99 9.180 -21.198 -14.437 780 HB2 ALA 99 1HB ALA 99 10.928 -21.034 -14.688 781 HB3 ALA 99 2HB ALA 99 10.331 -21.925 -13.285 782 H ALA 100 H ALA 100 11.922 -18.648 -14.304 783 HA ALA 100 HA ALA 100 10.253 -16.393 -15.583 784 HB1 ALA 100 3HB ALA 100 12.418 -15.142 -15.730 785 HB2 ALA 100 1HB ALA 100 12.010 -15.575 -14.057 786 HB3 ALA 100 2HB ALA 100 13.264 -16.487 -14.931 787 HA PRO 101 HA PRO 101 11.451 -19.262 -19.067 788 HB2 PRO 101 1HB PRO 101 9.247 -19.043 -20.691 789 HB3 PRO 101 2HB PRO 101 9.221 -19.860 -19.113 790 HG2 PRO 101 1HG PRO 101 8.381 -16.952 -19.706 791 HG3 PRO 101 2HG PRO 101 7.408 -18.202 -18.884 792 HD2 PRO 101 1HD PRO 101 8.914 -16.354 -17.462 793 HD3 PRO 101 2HD PRO 101 8.734 -18.033 -16.861 794 H LYS 102 H LYS 102 13.130 -17.609 -19.235 795 HA LYS 102 HA LYS 102 12.980 -15.583 -21.391 796 HB2 LYS 102 1HB LYS 102 15.266 -15.040 -20.928 797 HB3 LYS 102 2HB LYS 102 14.255 -15.094 -19.497 798 HG2 LYS 102 1HG LYS 102 15.273 -17.355 -18.874 799 HG3 LYS 102 2HG LYS 102 16.311 -17.269 -20.296 800 HD2 LYS 102 1HD LYS 102 17.277 -15.075 -19.465 801 HD3 LYS 102 2HD LYS 102 16.294 -15.164 -18.014 802 HE2 LYS 102 1HE LYS 102 18.414 -17.277 -18.867 803 HE3 LYS 102 2HE LYS 102 18.743 -15.916 -17.799 804 HZ1 LYS 102 3HZ LYS 102 16.708 -18.068 -17.189 805 HZ2 LYS 102 1HZ LYS 102 18.183 -17.951 -16.471 806 HZ3 LYS 102 2HZ LYS 102 17.035 -16.801 -16.206 807 H GLN 103 H GLN 103 12.249 -16.894 -23.083 808 HA GLN 103 HA GLN 103 14.094 -18.834 -24.410 809 HB2 GLN 103 1HB GLN 103 11.586 -19.052 -24.233 810 HB3 GLN 103 2HB GLN 103 11.392 -17.710 -25.364 811 HG2 GLN 103 1HG GLN 103 12.737 -19.098 -27.108 812 HG3 GLN 103 2HG GLN 103 12.819 -20.403 -25.941 813 HE21 GLN 103 1HE2 GLN 103 10.574 -18.505 -27.904 814 HE22 GLN 103 2HE2 GLN 103 9.282 -19.819 -27.868 815 H PHE 104 H PHE 104 15.842 -17.356 -24.668 816 HA PHE 104 HA PHE 104 15.978 -16.593 -27.510 817 HD1 PHE 104 HD2 PHE 104 18.842 -14.091 -27.334 818 HD2 PHE 104 HD1 PHE 104 14.764 -13.989 -28.735 819 HE1 PHE 104 HE2 PHE 104 19.597 -13.195 -29.492 820 HE2 PHE 104 HE1 PHE 104 15.532 -13.068 -30.876 821 HZ PHE 104 HZ PHE 104 17.949 -12.679 -31.276 822 HB2 PHE 104 1HB PHE 104 15.204 -14.405 -26.358 823 HB3 PHE 104 2HB PHE 104 16.815 -14.282 -25.677 824 H GLY 105 H GLY 105 17.200 -18.399 -27.342 825 HA2 GLY 105 1HA GLY 105 20.174 -18.050 -26.669 826 HA3 GLY 105 2HA GLY 105 19.505 -19.380 -27.605 827 H ARG 106 H ARG 106 18.575 -18.767 -29.707 828 HA ARG 106 HA ARG 106 19.018 -16.009 -30.705 829 HE ARG 106 HE ARG 106 22.884 -14.912 -33.479 830 HB2 ARG 106 1HB ARG 106 21.122 -17.201 -31.449 831 HB3 ARG 106 2HB ARG 106 20.154 -18.306 -32.430 832 HG2 ARG 106 1HG ARG 106 19.290 -16.344 -33.779 833 HG3 ARG 106 2HG ARG 106 20.188 -15.216 -32.777 834 HD2 ARG 106 1HD ARG 106 21.484 -17.441 -34.525 835 HD3 ARG 106 2HD ARG 106 21.210 -15.800 -35.031 836 HH11 ARG 106 2HH2 ARG 106 22.748 -18.382 -33.327 837 HH12 ARG 106 1HH2 ARG 106 24.406 -18.480 -32.561 838 HH21 ARG 106 2HH1 ARG 106 24.744 -15.058 -32.611 839 HH22 ARG 106 1HH1 ARG 106 25.457 -16.672 -32.176 840 H ASN 107 H ASN 107 16.810 -16.236 -30.157 841 HA ASN 107 HA ASN 107 15.072 -17.984 -31.996 842 HB2 ASN 107 1HB ASN 107 14.452 -16.688 -29.266 843 HB3 ASN 107 2HB ASN 107 13.277 -17.529 -30.231 844 HD21 ASN 107 1HD2 ASN 107 13.384 -19.825 -30.364 845 HD22 ASN 107 2HD2 ASN 107 14.504 -20.747 -29.232 846 H LEU 108 H LEU 108 15.296 -16.559 -33.755 847 HA LEU 108 HA LEU 108 13.378 -14.200 -33.700 848 HG LEU 108 HG LEU 108 16.045 -11.664 -34.683 849 HB2 LEU 108 1HB LEU 108 15.814 -13.506 -33.282 850 HB3 LEU 108 2HB LEU 108 16.230 -14.073 -34.878 851 HD11 LEU 108 1HD1 LEU 108 13.812 -12.620 -36.583 852 HD12 LEU 108 2HD1 LEU 108 14.755 -11.122 -36.686 853 HD13 LEU 108 3HD1 LEU 108 15.549 -12.689 -36.926 854 HD21 LEU 108 3HD2 LEU 108 13.961 -10.424 -34.323 855 HD22 LEU 108 1HD2 LEU 108 13.012 -11.918 -34.165 856 HD23 LEU 108 2HD2 LEU 108 14.232 -11.501 -32.941 857 H ALA 109 H ALA 109 11.864 -14.939 -35.025 858 HA ALA 109 HA ALA 109 12.607 -15.871 -37.837 859 HB1 ALA 109 3HB ALA 109 10.333 -16.972 -37.865 860 HB2 ALA 109 1HB ALA 109 11.449 -17.677 -36.691 861 HB3 ALA 109 2HB ALA 109 10.136 -16.601 -36.129 862 H ARG 110 H ARG 110 11.758 -14.765 -39.314 863 HA ARG 110 HA ARG 110 9.625 -12.708 -39.116 864 HE ARG 110 HE ARG 110 11.546 -9.400 -35.967 865 HB2 ARG 110 1HB ARG 110 12.458 -11.675 -39.796 866 HB3 ARG 110 2HB ARG 110 10.982 -10.813 -40.216 867 HG2 ARG 110 1HG ARG 110 10.319 -10.650 -37.794 868 HG3 ARG 110 2HG ARG 110 11.770 -11.536 -37.320 869 HD2 ARG 110 1HD ARG 110 13.230 -9.740 -38.355 870 HD3 ARG 110 2HD ARG 110 11.768 -8.814 -38.798 871 HH11 ARG 110 2HH2 ARG 110 13.637 -7.520 -38.008 872 HH12 ARG 110 1HH2 ARG 110 14.032 -6.352 -36.658 873 HH21 ARG 110 2HH1 ARG 110 11.999 -8.054 -34.460 874 HH22 ARG 110 1HH1 ARG 110 13.134 -6.663 -34.748 875 H ASP 111 H ASP 111 9.029 -14.526 -40.337 876 HA ASP 111 HA ASP 111 10.292 -14.916 -43.053 877 HB2 ASP 111 1HB ASP 111 9.220 -16.862 -40.911 878 HB3 ASP 111 2HB ASP 111 9.633 -17.373 -42.533 879 H LYS 112 H LYS 112 9.249 -15.888 -44.603 880 HA LYS 112 HA LYS 112 6.328 -16.536 -44.512 881 HB2 LYS 112 1HB LYS 112 6.460 -14.245 -45.596 882 HB3 LYS 112 2HB LYS 112 7.448 -14.917 -46.894 883 HG2 LYS 112 1HG LYS 112 5.534 -16.482 -47.519 884 HG3 LYS 112 2HG LYS 112 4.570 -15.832 -46.182 885 HD2 LYS 112 1HD LYS 112 4.725 -13.507 -47.207 886 HD3 LYS 112 2HD LYS 112 5.678 -14.165 -48.547 887 HE2 LYS 112 1HE LYS 112 3.734 -15.697 -49.180 888 HE3 LYS 112 2HE LYS 112 2.783 -15.053 -47.835 889 HZ1 LYS 112 3HZ LYS 112 2.980 -12.781 -48.867 890 HZ2 LYS 112 1HZ LYS 112 3.861 -13.374 -50.113 891 HZ3 LYS 112 2HZ LYS 112 2.284 -13.808 -49.945 892 H LYS 113 H LYS 113 7.636 -18.372 -44.044 893 HA LYS 113 HA LYS 113 9.246 -19.605 -46.329 894 HB2 LYS 113 1HB LYS 113 10.415 -18.647 -44.384 895 HB3 LYS 113 2HB LYS 113 9.523 -19.678 -43.264 896 HG2 LYS 113 1HG LYS 113 10.603 -21.727 -44.222 897 HG3 LYS 113 2HG LYS 113 11.460 -20.752 -45.428 898 HD2 LYS 113 1HD LYS 113 12.663 -19.481 -43.620 899 HD3 LYS 113 2HD LYS 113 11.684 -20.224 -42.386 900 HE2 LYS 113 1HE LYS 113 13.783 -21.292 -42.261 901 HE3 LYS 113 2HE LYS 113 12.655 -22.501 -42.876 902 HZ1 LYS 113 3HZ LYS 113 14.891 -22.325 -44.144 903 HZ2 LYS 113 1HZ LYS 113 13.573 -22.240 -45.128 904 HZ3 LYS 113 2HZ LYS 113 14.395 -20.864 -44.726 905 H LYS 114 H LYS 114 7.935 -21.094 -47.279 906 HA LYS 114 HA LYS 114 6.811 -23.410 -45.722 907 HB2 LYS 114 1HB LYS 114 5.829 -22.724 -47.848 908 HB3 LYS 114 2HB LYS 114 7.288 -23.072 -48.752 909 HG2 LYS 114 1HG LYS 114 5.972 -25.304 -47.077 910 HG3 LYS 114 2HG LYS 114 5.175 -24.777 -48.549 911 HD2 LYS 114 1HD LYS 114 7.034 -25.374 -49.982 912 HD3 LYS 114 2HD LYS 114 8.142 -25.576 -48.635 913 HE2 LYS 114 1HE LYS 114 6.773 -27.544 -47.767 914 HE3 LYS 114 2HE LYS 114 5.671 -27.372 -49.138 915 HZ1 LYS 114 3HZ LYS 114 7.396 -29.031 -49.714 916 HZ2 LYS 114 1HZ LYS 114 7.697 -27.715 -50.647 917 HZ3 LYS 114 2HZ LYS 114 8.643 -28.040 -49.345 918 H GLN 115 H GLN 115 9.811 -22.934 -47.621 919 HA GLN 115 HA GLN 115 11.223 -24.976 -45.990 920 HB2 GLN 115 1HB GLN 115 9.915 -26.386 -47.515 921 HB3 GLN 115 2HB GLN 115 10.618 -25.625 -48.940 922 HG2 GLN 115 1HG GLN 115 12.879 -26.599 -48.296 923 HG3 GLN 115 2HG GLN 115 12.159 -27.296 -46.840 924 HE21 GLN 115 1HE2 GLN 115 13.366 -28.994 -48.446 925 HE22 GLN 115 2HE2 GLN 115 12.124 -29.994 -49.360 926 H ARG 116 H ARG 116 12.008 -24.008 -49.272 927 HA ARG 116 HA ARG 116 13.837 -21.847 -48.381 928 HE ARG 116 HE ARG 116 17.621 -20.668 -51.341 929 HB2 ARG 116 1HB ARG 116 15.250 -23.857 -47.951 930 HB3 ARG 116 2HB ARG 116 15.146 -24.362 -49.624 931 HG2 ARG 116 1HG ARG 116 16.183 -21.521 -48.989 932 HG3 ARG 116 2HG ARG 116 17.203 -22.882 -48.570 933 HD2 ARG 116 1HD ARG 116 17.287 -23.673 -50.949 934 HD3 ARG 116 2HD ARG 116 16.074 -22.513 -51.416 935 HH11 ARG 116 2HH2 ARG 116 19.206 -23.509 -50.102 936 HH12 ARG 116 1HH2 ARG 116 20.856 -22.748 -50.346 937 HH21 ARG 116 2HH1 ARG 116 19.382 -19.908 -51.695 938 HH22 ARG 116 1HH1 ARG 116 20.960 -20.749 -51.191 939 H GLY 117 H GLY 117 13.011 -20.447 -49.719 940 HA2 GLY 117 1HA GLY 117 12.872 -20.719 -52.691 941 HA3 GLY 117 2HA GLY 117 12.692 -19.228 -51.768 942 H ARG 118 H ARG 118 14.279 -19.689 -53.929 943 HA ARG 118 HA ARG 118 16.919 -20.489 -53.621 944 HE ARG 118 HE ARG 118 14.748 -19.562 -57.769 945 HB2 ARG 118 1HB ARG 118 17.588 -19.486 -55.670 946 HB3 ARG 118 2HB ARG 118 16.018 -20.249 -55.783 947 HG2 ARG 118 1HG ARG 118 14.891 -17.957 -55.734 948 HG3 ARG 118 2HG ARG 118 16.448 -17.202 -55.497 949 HD2 ARG 118 1HD ARG 118 15.958 -16.904 -57.788 950 HD3 ARG 118 2HD ARG 118 17.273 -18.097 -57.718 951 HH11 ARG 118 2HH2 ARG 118 16.633 -17.575 -59.907 952 HH12 ARG 118 1HH2 ARG 118 15.969 -18.404 -61.397 953 HH21 ARG 118 2HH1 ARG 118 13.998 -20.476 -59.477 954 HH22 ARG 118 1HH1 ARG 118 14.545 -19.971 -61.136 Start of MODEL 8 1 HA MET 1 HA MET 1 20.361 -2.861 11.445 2 H1 MET 1 1H MET 1 19.508 -5.365 12.864 3 H2 MET 1 2H MET 1 18.966 -4.997 11.337 4 H3 MET 1 3H MET 1 20.568 -5.365 11.635 5 HB2 MET 1 1HB MET 1 18.217 -3.471 13.613 6 HB3 MET 1 2HB MET 1 18.876 -1.871 13.421 7 HG2 MET 1 1HG MET 1 18.052 -1.676 11.083 8 HG3 MET 1 2HG MET 1 17.426 -3.331 11.122 9 HE1 MET 1 3HE MET 1 15.454 -1.189 10.328 10 HE2 MET 1 1HE MET 1 14.960 -2.874 10.681 11 HE3 MET 1 2HE MET 1 14.059 -1.510 11.400 12 H ALA 2 H ALA 2 21.064 -1.286 13.287 13 HA ALA 2 HA ALA 2 23.337 -2.472 14.837 14 HB1 ALA 2 3HB ALA 2 23.553 -0.237 13.761 15 HB2 ALA 2 1HB ALA 2 22.208 0.408 14.738 16 HB3 ALA 2 2HB ALA 2 23.721 -0.096 15.518 17 H GLY 3 H GLY 3 23.010 -3.384 16.717 18 HA2 GLY 3 1HA GLY 3 22.228 -3.506 19.098 19 HA3 GLY 3 2HA GLY 3 20.859 -2.479 18.725 20 H SER 4 H SER 4 19.371 -3.479 17.021 21 HA SER 4 HA SER 4 18.649 -6.336 17.779 22 HG SER 4 HG SER 4 15.490 -5.911 16.470 23 HB2 SER 4 1HB SER 4 16.875 -4.605 17.637 24 HB3 SER 4 2HB SER 4 17.191 -4.373 15.906 25 H GLY 5 H GLY 5 20.199 -7.536 16.903 26 HA2 GLY 5 1HA GLY 5 21.759 -7.142 14.646 27 HA3 GLY 5 2HA GLY 5 21.571 -8.732 15.330 28 H ILE 6 H ILE 6 19.716 -10.054 14.438 29 HA ILE 6 HA ILE 6 19.912 -9.842 11.457 30 HB ILE 6 HB ILE 6 20.563 -11.886 12.571 31 HG12 ILE 6 1HG1 ILE 6 19.449 -13.545 11.070 32 HG13 ILE 6 2HG1 ILE 6 18.274 -12.349 10.556 33 HG21 ILE 6 1HG2 ILE 6 18.993 -13.523 13.475 34 HG22 ILE 6 2HG2 ILE 6 18.745 -11.974 14.313 35 HG23 ILE 6 3HG2 ILE 6 17.579 -12.507 13.087 36 HD11 ILE 6 3HD1 ILE 6 21.343 -12.116 10.132 37 HD12 ILE 6 1HD1 ILE 6 20.162 -12.653 8.920 38 HD13 ILE 6 2HD1 ILE 6 20.128 -10.979 9.492 39 H ILE 7 H ILE 7 18.503 -7.889 12.035 40 HA ILE 7 HA ILE 7 16.043 -8.510 10.359 41 HB ILE 7 HB ILE 7 15.468 -8.068 12.664 42 HG12 ILE 7 1HG1 ILE 7 13.654 -6.323 12.262 43 HG13 ILE 7 2HG1 ILE 7 14.406 -5.883 10.736 44 HG21 ILE 7 1HG2 ILE 7 17.105 -6.390 13.421 45 HG22 ILE 7 2HG2 ILE 7 16.374 -5.139 12.386 46 HG23 ILE 7 3HG2 ILE 7 15.454 -5.856 13.725 47 HD11 ILE 7 3HD1 ILE 7 12.425 -7.433 10.498 48 HD12 ILE 7 1HD1 ILE 7 13.873 -8.172 9.802 49 HD13 ILE 7 2HD1 ILE 7 13.282 -8.701 11.397 50 H TYR 8 H TYR 8 16.761 -8.030 8.453 51 HA TYR 8 HA TYR 8 18.070 -5.386 7.821 52 HD1 TYR 8 HD2 TYR 8 17.535 -9.561 7.059 53 HD2 TYR 8 HD1 TYR 8 17.250 -6.746 3.809 54 HE1 TYR 8 HE2 TYR 8 16.374 -11.237 5.703 55 HE2 TYR 8 HE1 TYR 8 16.108 -8.447 2.450 56 HH TYR 8 HH TYR 8 15.383 -11.669 3.754 57 HB2 TYR 8 1HB TYR 8 18.631 -6.188 5.701 58 HB3 TYR 8 2HB TYR 8 19.075 -7.397 6.860 59 H LYS 9 H LYS 9 17.150 -3.869 6.566 60 HA LYS 9 HA LYS 9 14.286 -4.089 5.582 61 HB2 LYS 9 1HB LYS 9 14.155 -3.482 8.032 62 HB3 LYS 9 2HB LYS 9 15.156 -2.059 7.740 63 HG2 LYS 9 1HG LYS 9 13.306 -1.185 6.144 64 HG3 LYS 9 2HG LYS 9 12.310 -2.570 6.619 65 HD2 LYS 9 1HD LYS 9 12.381 -1.851 9.021 66 HD3 LYS 9 2HD LYS 9 13.528 -0.558 8.634 67 HE2 LYS 9 1HE LYS 9 11.786 0.542 7.128 68 HE3 LYS 9 2HE LYS 9 10.618 -0.709 7.553 69 HZ1 LYS 9 3HZ LYS 9 10.471 1.371 9.034 70 HZ2 LYS 9 1HZ LYS 9 10.771 0.015 9.928 71 HZ3 LYS 9 2HZ LYS 9 11.979 1.073 9.593 72 H GLN 10 H GLN 10 15.262 -3.867 3.557 73 HA GLN 10 HA GLN 10 16.584 -1.239 2.872 74 HB2 GLN 10 1HB GLN 10 17.333 -2.208 0.904 75 HB3 GLN 10 2HB GLN 10 17.562 -3.398 2.141 76 HG2 GLN 10 1HG GLN 10 15.240 -3.453 0.084 77 HG3 GLN 10 2HG GLN 10 16.830 -4.124 -0.190 78 HE21 GLN 10 1HE2 GLN 10 15.085 -5.834 -0.607 79 HE22 GLN 10 2HE2 GLN 10 14.956 -7.043 0.764 80 HA PRO 11 HA PRO 11 12.866 0.488 0.867 81 HB2 PRO 11 1HB PRO 11 13.919 2.333 -0.927 82 HB3 PRO 11 2HB PRO 11 14.082 2.478 0.834 83 HG2 PRO 11 1HG PRO 11 16.129 1.238 -1.115 84 HG3 PRO 11 2HG PRO 11 16.419 2.565 0.044 85 HD2 PRO 11 1HD PRO 11 17.018 -0.040 0.721 86 HD3 PRO 11 2HD PRO 11 16.310 1.045 1.950 87 H ILE 12 H ILE 12 13.312 -1.911 0.015 88 HA ILE 12 HA ILE 12 11.479 -2.107 -2.169 89 HB ILE 12 HB ILE 12 13.275 -1.603 -3.711 90 HG12 ILE 12 1HG1 ILE 12 13.096 -3.567 -5.296 91 HG13 ILE 12 2HG1 ILE 12 12.289 -4.504 -4.047 92 HG21 ILE 12 1HG2 ILE 12 14.729 -4.237 -3.025 93 HG22 ILE 12 2HG2 ILE 12 15.203 -2.983 -4.195 94 HG23 ILE 12 3HG2 ILE 12 15.232 -2.634 -2.453 95 HD11 ILE 12 3HD1 ILE 12 10.682 -3.450 -5.676 96 HD12 ILE 12 1HD1 ILE 12 10.366 -2.846 -4.046 97 HD13 ILE 12 2HD1 ILE 12 11.234 -1.824 -5.216 98 H TYR 13 H TYR 13 10.582 -3.109 -0.399 99 HA TYR 13 HA TYR 13 11.360 -5.927 0.276 100 HD1 TYR 13 HD1 TYR 13 12.861 -7.191 1.679 101 HD2 TYR 13 HD2 TYR 13 11.581 -4.284 4.574 102 HE1 TYR 13 HE1 TYR 13 13.515 -8.703 3.504 103 HE2 TYR 13 HE2 TYR 13 12.225 -5.794 6.378 104 HH TYR 13 HH TYR 13 14.035 -7.421 6.552 105 HB2 TYR 13 1HB TYR 13 12.984 -4.362 1.483 106 HB3 TYR 13 2HB TYR 13 11.652 -3.610 2.301 107 H GLN 14 H GLN 14 9.708 -7.008 0.888 108 HA GLN 14 HA GLN 14 7.029 -6.072 1.140 109 HB2 GLN 14 1HB GLN 14 6.292 -8.212 1.538 110 HB3 GLN 14 2HB GLN 14 7.667 -8.346 0.483 111 HG2 GLN 14 1HG GLN 14 7.529 -9.101 3.458 112 HG3 GLN 14 2HG GLN 14 7.575 -10.183 2.094 113 HE21 GLN 14 1HE2 GLN 14 9.657 -10.397 0.948 114 HE22 GLN 14 2HE2 GLN 14 11.178 -9.944 1.888 115 H GLY 15 H GLY 15 9.147 -6.791 3.904 116 HA2 GLY 15 1HA GLY 15 7.140 -5.597 5.882 117 HA3 GLY 15 2HA GLY 15 8.735 -6.195 6.276 118 H ASN 16 H ASN 16 7.586 -3.715 4.061 119 HA ASN 16 HA ASN 16 8.534 -1.426 5.635 120 HB2 ASN 16 1HB ASN 16 10.754 -2.329 4.753 121 HB3 ASN 16 2HB ASN 16 10.202 -2.049 3.111 122 HD21 ASN 16 1HD2 ASN 16 12.153 -0.738 2.968 123 HD22 ASN 16 2HD2 ASN 16 12.106 0.954 3.694 124 H LEU 17 H LEU 17 7.796 -2.383 2.230 125 HA LEU 17 HA LEU 17 6.868 0.339 1.601 126 HG LEU 17 HG LEU 17 8.096 0.483 -0.709 127 HB2 LEU 17 1HB LEU 17 7.098 -2.310 0.091 128 HB3 LEU 17 2HB LEU 17 6.239 -0.976 -0.636 129 HD11 LEU 17 1HD1 LEU 17 10.436 -0.155 -0.063 130 HD12 LEU 17 2HD1 LEU 17 9.405 0.031 1.357 131 HD13 LEU 17 3HD1 LEU 17 9.827 -1.596 0.788 132 HD21 LEU 17 3HD2 LEU 17 9.488 -0.752 -2.322 133 HD22 LEU 17 1HD2 LEU 17 9.043 -2.323 -1.602 134 HD23 LEU 17 2HD2 LEU 17 7.829 -1.359 -2.453 135 H ILE 18 H ILE 18 4.719 -2.536 0.879 136 HA ILE 18 HA ILE 18 2.412 -0.736 1.808 137 HB ILE 18 HB ILE 18 2.690 -2.801 -0.443 138 HG12 ILE 18 1HG1 ILE 18 3.482 -0.508 -0.955 139 HG13 ILE 18 2HG1 ILE 18 2.116 -0.982 -1.914 140 HG21 ILE 18 1HG2 ILE 18 0.412 -3.273 0.441 141 HG22 ILE 18 2HG2 ILE 18 0.023 -1.555 0.503 142 HG23 ILE 18 3HG2 ILE 18 0.295 -2.362 -1.063 143 HD11 ILE 18 3HD1 ILE 18 1.846 1.387 -1.162 144 HD12 ILE 18 1HD1 ILE 18 0.588 0.435 -0.385 145 HD13 ILE 18 2HD1 ILE 18 1.974 0.927 0.543 146 H LYS 19 H LYS 19 2.537 -1.362 3.896 147 HA LYS 19 HA LYS 19 0.738 -3.670 4.456 148 HB2 LYS 19 1HB LYS 19 2.867 -3.324 6.591 149 HB3 LYS 19 2HB LYS 19 1.793 -4.644 6.323 150 HG2 LYS 19 1HG LYS 19 4.100 -4.155 4.321 151 HG3 LYS 19 2HG LYS 19 4.472 -4.623 5.929 152 HD2 LYS 19 1HD LYS 19 4.467 -6.676 4.967 153 HD3 LYS 19 2HD LYS 19 2.891 -6.666 5.703 154 HE2 LYS 19 1HE LYS 19 2.728 -7.680 3.503 155 HE3 LYS 19 2HE LYS 19 1.825 -6.168 3.441 156 HZ1 LYS 19 3HZ LYS 19 3.575 -6.613 1.496 157 HZ2 LYS 19 1HZ LYS 19 3.472 -5.147 2.121 158 HZ3 LYS 19 2HZ LYS 19 4.716 -6.050 2.601 159 H GLN 20 H GLN 20 -0.751 -2.946 5.985 160 HA GLN 20 HA GLN 20 -1.215 -0.251 6.243 161 HB2 GLN 20 1HB GLN 20 -2.798 -2.218 6.712 162 HB3 GLN 20 2HB GLN 20 -2.213 -2.235 8.367 163 HG2 GLN 20 1HG GLN 20 -4.295 -1.046 8.308 164 HG3 GLN 20 2HG GLN 20 -3.077 0.147 8.681 165 HE21 GLN 20 1HE2 GLN 20 -2.845 1.879 7.204 166 HE22 GLN 20 2HE2 GLN 20 -3.985 2.043 5.755 167 H ASN 21 H ASN 21 0.678 -1.860 8.743 168 HA ASN 21 HA ASN 21 1.322 0.902 9.909 169 HB2 ASN 21 1HB ASN 21 0.641 -0.831 11.601 170 HB3 ASN 21 2HB ASN 21 2.016 -1.822 11.151 171 HD21 ASN 21 1HD2 ASN 21 1.292 1.509 12.243 172 HD22 ASN 21 2HD2 ASN 21 2.922 1.717 13.033 173 H ALA 22 H ALA 22 2.710 -1.361 7.696 174 HA ALA 22 HA ALA 22 5.539 -0.399 8.087 175 HB1 ALA 22 3HB ALA 22 4.468 -1.924 5.657 176 HB2 ALA 22 1HB ALA 22 6.146 -1.629 6.116 177 HB3 ALA 22 2HB ALA 22 5.158 -2.684 7.129 178 H VAL 23 H VAL 23 2.761 0.522 6.036 179 HA VAL 23 HA VAL 23 4.200 2.699 4.652 180 HB VAL 23 HB VAL 23 1.192 2.690 5.348 181 HG11 VAL 23 1HG1 VAL 23 1.167 4.140 3.155 182 HG12 VAL 23 2HG1 VAL 23 1.867 4.932 4.604 183 HG13 VAL 23 3HG1 VAL 23 2.916 4.292 3.323 184 HG21 VAL 23 3HG2 VAL 23 0.815 1.870 2.981 185 HG22 VAL 23 1HG2 VAL 23 2.562 1.602 2.800 186 HG23 VAL 23 2HG2 VAL 23 1.635 0.651 3.969 187 H GLU 24 H GLU 24 2.757 2.581 7.904 188 HA GLU 24 HA GLU 24 3.578 5.377 8.572 189 HB2 GLU 24 1HB GLU 24 1.766 4.248 9.769 190 HB3 GLU 24 2HB GLU 24 2.833 2.999 10.374 191 HG2 GLU 24 1HG GLU 24 3.236 5.990 11.069 192 HG3 GLU 24 2HG GLU 24 2.169 4.924 11.967 193 H GLN 25 H GLN 25 4.984 2.167 9.291 194 HA GLN 25 HA GLN 25 7.400 3.327 10.526 195 HB2 GLN 25 1HB GLN 25 6.676 0.446 9.736 196 HB3 GLN 25 2HB GLN 25 8.195 0.836 10.506 197 HG2 GLN 25 1HG GLN 25 5.447 1.472 11.760 198 HG3 GLN 25 2HG GLN 25 6.360 0.013 12.043 199 HE21 GLN 25 1HE2 GLN 25 5.816 3.048 13.287 200 HE22 GLN 25 2HE2 GLN 25 7.352 3.113 14.314 201 H LEU 26 H LEU 26 6.969 2.611 7.089 202 HA LEU 26 HA LEU 26 9.761 3.062 6.409 203 HG LEU 26 HG LEU 26 6.219 3.912 5.357 204 HB2 LEU 26 1HB LEU 26 9.103 3.863 4.287 205 HB3 LEU 26 2HB LEU 26 8.244 2.427 4.786 206 HD11 LEU 26 1HD1 LEU 26 7.626 5.935 3.479 207 HD12 LEU 26 2HD1 LEU 26 5.935 6.007 4.045 208 HD13 LEU 26 3HD1 LEU 26 7.237 6.251 5.177 209 HD21 LEU 26 3HD2 LEU 26 7.217 3.549 2.462 210 HD22 LEU 26 1HD2 LEU 26 6.211 2.408 3.418 211 HD23 LEU 26 2HD2 LEU 26 5.544 3.959 2.903 212 H GLN 27 H GLN 27 7.468 5.304 7.705 213 HA GLN 27 HA GLN 27 7.564 7.602 8.201 214 HB2 GLN 27 1HB GLN 27 8.556 5.848 9.900 215 HB3 GLN 27 2HB GLN 27 10.080 6.681 9.655 216 HG2 GLN 27 1HG GLN 27 9.034 8.832 10.459 217 HG3 GLN 27 2HG GLN 27 7.436 8.094 10.484 218 HE21 GLN 27 1HE2 GLN 27 7.016 6.362 12.150 219 HE22 GLN 27 2HE2 GLN 27 8.089 6.454 13.634 220 H VAL 28 H VAL 28 8.259 7.830 5.809 221 HA VAL 28 HA VAL 28 10.857 9.300 5.433 222 HB VAL 28 HB VAL 28 8.631 8.545 3.415 223 HG11 VAL 28 1HG1 VAL 28 9.957 10.443 2.464 224 HG12 VAL 28 2HG1 VAL 28 11.489 9.621 2.847 225 HG13 VAL 28 3HG1 VAL 28 10.375 8.951 1.626 226 HG21 VAL 28 3HG2 VAL 28 10.290 6.797 2.614 227 HG22 VAL 28 1HG2 VAL 28 11.371 7.189 3.976 228 HG23 VAL 28 2HG2 VAL 28 9.769 6.478 4.265 229 H GLY 29 H GLY 29 11.070 11.439 5.359 230 HA2 GLY 29 1HA GLY 29 8.697 13.295 4.672 231 HA3 GLY 29 2HA GLY 29 9.758 13.686 6.002 232 H GLN 30 H GLN 30 10.167 12.615 2.665 233 HA GLN 30 HA GLN 30 12.304 14.765 2.202 234 HB2 GLN 30 1HB GLN 30 13.124 12.496 2.969 235 HB3 GLN 30 2HB GLN 30 12.430 11.750 1.532 236 HG2 GLN 30 1HG GLN 30 13.962 13.220 0.082 237 HG3 GLN 30 2HG GLN 30 14.659 13.912 1.534 238 HE21 GLN 30 1HE2 GLN 30 16.168 12.616 2.689 239 HE22 GLN 30 2HE2 GLN 30 16.738 11.008 1.991 240 H SER 31 H SER 31 10.377 12.383 0.265 241 HA SER 31 HA SER 31 10.349 14.360 -2.036 242 HG SER 31 HG SER 31 11.136 14.250 -4.474 243 HB2 SER 31 1HB SER 31 12.542 13.374 -2.306 244 HB3 SER 31 2HB SER 31 11.939 11.727 -2.128 245 H LYS 32 H LYS 32 8.612 14.242 -3.120 246 HA LYS 32 HA LYS 32 6.476 12.342 -2.620 247 HB2 LYS 32 1HB LYS 32 5.078 13.546 -4.094 248 HB3 LYS 32 2HB LYS 32 6.039 14.624 -3.116 249 HG2 LYS 32 1HG LYS 32 7.597 14.819 -5.306 250 HG3 LYS 32 2HG LYS 32 6.228 14.113 -6.151 251 HD2 LYS 32 1HD LYS 32 4.717 15.970 -5.423 252 HD3 LYS 32 2HD LYS 32 5.908 16.546 -4.266 253 HE2 LYS 32 1HE LYS 32 7.515 16.882 -6.401 254 HE3 LYS 32 2HE LYS 32 6.032 16.744 -7.344 255 HZ1 LYS 32 3HZ LYS 32 6.419 18.734 -5.049 256 HZ2 LYS 32 1HZ LYS 32 6.517 19.128 -6.633 257 HZ3 LYS 32 2HZ LYS 32 5.077 18.667 -5.973 258 H GLN 33 H GLN 33 8.554 12.495 -5.467 259 HA GLN 33 HA GLN 33 7.252 10.142 -6.773 260 HB2 GLN 33 1HB GLN 33 8.393 11.939 -8.057 261 HB3 GLN 33 2HB GLN 33 9.939 11.524 -7.322 262 HG2 GLN 33 1HG GLN 33 9.884 10.600 -9.519 263 HG3 GLN 33 2HG GLN 33 9.916 9.286 -8.357 264 HE21 GLN 33 1HE2 GLN 33 9.142 7.887 -9.991 265 HE22 GLN 33 2HE2 GLN 33 7.371 7.926 -10.491 266 H GLN 34 H GLN 34 10.078 10.473 -4.695 267 HA GLN 34 HA GLN 34 10.956 7.649 -4.880 268 HB2 GLN 34 1HB GLN 34 11.389 9.670 -2.604 269 HB3 GLN 34 2HB GLN 34 12.135 8.090 -2.654 270 HG2 GLN 34 1HG GLN 34 12.600 10.304 -4.758 271 HG3 GLN 34 2HG GLN 34 13.624 9.994 -3.386 272 HE21 GLN 34 1HE2 GLN 34 15.055 8.207 -3.486 273 HE22 GLN 34 2HE2 GLN 34 15.266 7.280 -5.066 274 H VAL 35 H VAL 35 8.818 9.248 -2.439 275 HA VAL 35 HA VAL 35 8.180 6.652 -1.140 276 HB VAL 35 HB VAL 35 8.073 8.879 0.022 277 HG11 VAL 35 1HG1 VAL 35 6.703 10.210 -1.649 278 HG12 VAL 35 2HG1 VAL 35 5.293 9.209 -1.298 279 HG13 VAL 35 3HG1 VAL 35 6.008 10.219 -0.023 280 HG21 VAL 35 3HG2 VAL 35 7.136 6.800 1.036 281 HG22 VAL 35 1HG2 VAL 35 6.193 8.227 1.502 282 HG23 VAL 35 2HG2 VAL 35 5.564 7.110 0.267 283 H SER 36 H SER 36 6.578 8.473 -3.716 284 HA SER 36 HA SER 36 4.318 6.553 -3.989 285 HG SER 36 HG SER 36 2.722 7.818 -5.371 286 HB2 SER 36 1HB SER 36 4.470 9.059 -4.790 287 HB3 SER 36 2HB SER 36 5.388 8.448 -6.171 288 H ALA 37 H ALA 37 7.471 6.729 -5.682 289 HA ALA 37 HA ALA 37 7.022 4.322 -7.338 290 HB1 ALA 37 3HB ALA 37 9.518 4.380 -7.619 291 HB2 ALA 37 1HB ALA 37 8.805 5.992 -7.823 292 HB3 ALA 37 2HB ALA 37 9.652 5.582 -6.313 293 H LEU 38 H LEU 38 8.429 4.658 -4.075 294 HA LEU 38 HA LEU 38 8.844 1.753 -3.600 295 HG LEU 38 HG LEU 38 10.527 1.767 -1.759 296 HB2 LEU 38 1HB LEU 38 8.686 4.255 -1.837 297 HB3 LEU 38 2HB LEU 38 8.353 2.738 -1.060 298 HD11 LEU 38 1HD1 LEU 38 11.041 3.245 -3.782 299 HD12 LEU 38 2HD1 LEU 38 11.276 4.626 -2.696 300 HD13 LEU 38 3HD1 LEU 38 12.352 3.215 -2.595 301 HD21 LEU 38 3HD2 LEU 38 11.831 3.145 -0.083 302 HD22 LEU 38 1HD2 LEU 38 10.615 4.435 -0.182 303 HD23 LEU 38 2HD2 LEU 38 10.182 2.838 0.479 304 H LEU 39 H LEU 39 6.101 3.833 -2.625 305 HA LEU 39 HA LEU 39 4.390 1.566 -1.758 306 HG LEU 39 HG LEU 39 5.131 4.202 -0.364 307 HB2 LEU 39 1HB LEU 39 3.845 4.475 -2.576 308 HB3 LEU 39 2HB LEU 39 2.581 3.456 -1.950 309 HD11 LEU 39 1HD1 LEU 39 3.685 6.168 -0.778 310 HD12 LEU 39 2HD1 LEU 39 2.234 5.291 -0.241 311 HD13 LEU 39 3HD1 LEU 39 3.516 5.670 0.928 312 HD21 LEU 39 3HD2 LEU 39 2.530 2.964 0.727 313 HD22 LEU 39 1HD2 LEU 39 3.958 1.966 0.360 314 HD23 LEU 39 2HD2 LEU 39 4.041 3.168 1.605 315 H GLY 40 H GLY 40 4.826 2.947 -4.865 316 HA2 GLY 40 1HA GLY 40 4.612 1.296 -6.815 317 HA3 GLY 40 2HA GLY 40 3.243 0.554 -6.019 318 H THR 41 H THR 41 4.135 3.830 -7.072 319 HA THR 41 HA THR 41 1.640 4.164 -8.750 320 HB THR 41 HB THR 41 2.249 5.694 -6.131 321 HG1 THR 41 HG1 THR 41 1.066 3.458 -6.518 322 HG21 THR 41 3HG2 THR 41 -0.103 6.077 -8.113 323 HG22 THR 41 1HG2 THR 41 -0.063 6.701 -6.458 324 HG23 THR 41 2HG2 THR 41 1.098 7.301 -7.641 325 HA PRO 42 HA PRO 42 4.512 7.504 -10.407 326 HB2 PRO 42 1HB PRO 42 2.932 8.485 -12.445 327 HB3 PRO 42 2HB PRO 42 3.727 6.896 -12.534 328 HG2 PRO 42 1HG PRO 42 0.827 7.487 -11.692 329 HG3 PRO 42 2HG PRO 42 1.362 6.319 -12.933 330 HD2 PRO 42 1HD PRO 42 0.806 5.585 -10.289 331 HD3 PRO 42 2HD PRO 42 2.063 4.726 -11.231 332 H SER 43 H SER 43 4.718 9.490 -9.543 333 HA SER 43 HA SER 43 2.597 10.605 -7.812 334 HG SER 43 HG SER 43 6.116 11.174 -8.895 335 HB2 SER 43 1HB SER 43 4.255 12.067 -6.921 336 HB3 SER 43 2HB SER 43 4.943 10.467 -7.114 337 H ILE 44 H ILE 44 3.945 13.399 -8.742 338 HA ILE 44 HA ILE 44 1.862 14.032 -10.898 339 HB ILE 44 HB ILE 44 2.193 15.819 -8.412 340 HG12 ILE 44 1HG1 ILE 44 -0.291 14.290 -9.464 341 HG13 ILE 44 2HG1 ILE 44 0.701 13.747 -8.124 342 HG21 ILE 44 1HG2 ILE 44 1.921 17.169 -10.557 343 HG22 ILE 44 2HG2 ILE 44 0.486 16.207 -10.986 344 HG23 ILE 44 3HG2 ILE 44 0.470 17.282 -9.569 345 HD11 ILE 44 3HD1 ILE 44 -0.947 16.351 -8.110 346 HD12 ILE 44 1HD1 ILE 44 -1.241 14.868 -7.195 347 HD13 ILE 44 2HD1 ILE 44 0.185 15.860 -6.828 348 HA PRO 45 HA PRO 45 6.080 15.741 -11.972 349 HB2 PRO 45 1HB PRO 45 6.376 14.747 -14.506 350 HB3 PRO 45 2HB PRO 45 6.468 13.711 -13.063 351 HG2 PRO 45 1HG PRO 45 4.012 14.154 -14.878 352 HG3 PRO 45 2HG PRO 45 4.732 12.589 -14.413 353 HD2 PRO 45 1HD PRO 45 2.573 13.727 -13.041 354 HD3 PRO 45 2HD PRO 45 3.779 12.712 -12.194 355 H ASP 46 H ASP 46 4.517 17.581 -11.624 356 HA ASP 46 HA ASP 46 3.982 19.139 -14.200 357 HB2 ASP 46 1HB ASP 46 1.969 18.737 -12.928 358 HB3 ASP 46 2HB ASP 46 2.650 19.412 -11.457 359 HA PRO 47 HA PRO 47 7.240 22.019 -12.414 360 HB2 PRO 47 1HB PRO 47 7.731 23.511 -14.677 361 HB3 PRO 47 2HB PRO 47 8.309 21.840 -14.494 362 HG2 PRO 47 1HG PRO 47 5.760 22.769 -15.959 363 HG3 PRO 47 2HG PRO 47 7.044 21.711 -16.602 364 HD2 PRO 47 1HD PRO 47 4.681 20.750 -15.438 365 HD3 PRO 47 2HD PRO 47 6.207 19.811 -15.345 366 H PHE 48 H PHE 48 3.964 22.656 -13.397 367 HA PHE 48 HA PHE 48 4.064 25.586 -12.681 368 HD1 PHE 48 HD1 PHE 48 1.439 26.412 -11.395 369 HD2 PHE 48 HD2 PHE 48 1.366 25.948 -15.681 370 HE1 PHE 48 HE1 PHE 48 0.177 28.503 -11.606 371 HE2 PHE 48 HE2 PHE 48 0.117 28.050 -15.875 372 HZ PHE 48 HZ PHE 48 -0.487 29.337 -13.844 373 HB2 PHE 48 1HB PHE 48 2.575 24.383 -14.469 374 HB3 PHE 48 2HB PHE 48 1.574 23.854 -13.162 375 H HIS 49 H HIS 49 2.124 22.839 -11.218 376 HA HIS 49 HA HIS 49 3.147 23.626 -8.510 377 HD1 HIS 49 HD1 HIS 49 -0.709 26.084 -7.236 378 HD2 HIS 49 HD2 HIS 49 2.415 23.397 -6.050 379 HE1 HIS 49 HE1 HIS 49 -0.474 26.038 -4.669 380 HB2 HIS 49 1HB HIS 49 1.343 25.367 -9.091 381 HB3 HIS 49 2HB HIS 49 0.144 24.083 -9.081 382 H ALA 50 H ALA 50 3.797 21.408 -8.967 383 HA ALA 50 HA ALA 50 1.939 19.193 -8.798 384 HB1 ALA 50 3HB ALA 50 4.105 19.018 -9.850 385 HB2 ALA 50 1HB ALA 50 4.978 19.391 -8.361 386 HB3 ALA 50 2HB ALA 50 4.048 17.881 -8.513 387 H GLN 51 H GLN 51 0.646 19.125 -7.100 388 HA GLN 51 HA GLN 51 1.540 19.682 -4.273 389 HB2 GLN 51 1HB GLN 51 -1.186 19.359 -5.711 390 HB3 GLN 51 2HB GLN 51 -1.064 19.803 -4.022 391 HG2 GLN 51 1HG GLN 51 -0.105 21.915 -4.367 392 HG3 GLN 51 2HG GLN 51 0.414 21.579 -5.997 393 HE21 GLN 51 1HE2 GLN 51 -0.921 22.160 -7.613 394 HE22 GLN 51 2HE2 GLN 51 -2.625 22.808 -7.326 395 H ARG 52 H ARG 52 -0.431 18.465 -2.831 396 HA ARG 52 HA ARG 52 0.228 15.891 -1.949 397 HE ARG 52 HE ARG 52 -5.368 17.277 -3.344 398 HB2 ARG 52 1HB ARG 52 -1.869 15.778 -0.929 399 HB3 ARG 52 2HB ARG 52 -1.416 17.457 -0.933 400 HG2 ARG 52 1HG ARG 52 -3.499 16.004 -2.678 401 HG3 ARG 52 2HG ARG 52 -3.831 16.996 -1.274 402 HD2 ARG 52 1HD ARG 52 -3.135 19.080 -2.524 403 HD3 ARG 52 2HD ARG 52 -2.656 18.065 -3.924 404 HH11 ARG 52 2HH2 ARG 52 -3.836 20.167 -4.634 405 HH12 ARG 52 1HH2 ARG 52 -5.129 20.242 -5.915 406 HH21 ARG 52 2HH1 ARG 52 -6.630 17.391 -4.669 407 HH22 ARG 52 1HH1 ARG 52 -6.700 18.724 -5.950 408 H TRP 53 H TRP 53 -0.608 13.813 -2.212 409 HA TRP 53 HA TRP 53 -1.604 13.003 -5.005 410 HD1 TRP 53 HD1 TRP 53 -2.739 9.921 -4.733 411 HE1 TRP 53 HE1 TRP 53 -2.425 7.351 -4.477 412 HE3 TRP 53 HE3 TRP 53 2.126 10.074 -3.099 413 HZ2 TRP 53 HZ2 TRP 53 -0.245 5.692 -3.621 414 HZ3 TRP 53 HZ3 TRP 53 3.182 7.954 -2.385 415 HH2 TRP 53 HH2 TRP 53 2.008 5.813 -2.627 416 HB2 TRP 53 1HB TRP 53 0.440 11.943 -4.720 417 HB3 TRP 53 2HB TRP 53 0.246 11.708 -2.996 418 H ASP 54 H ASP 54 -3.715 13.718 -4.403 419 HA ASP 54 HA ASP 54 -5.178 12.032 -2.350 420 HB2 ASP 54 1HB ASP 54 -6.776 13.820 -2.320 421 HB3 ASP 54 2HB ASP 54 -5.159 14.406 -2.021 422 H TYR 55 H TYR 55 -4.603 10.668 -4.653 423 HA TYR 55 HA TYR 55 -7.233 10.517 -6.176 424 HD1 TYR 55 HD2 TYR 55 -3.874 8.241 -8.050 425 HD2 TYR 55 HD1 TYR 55 -3.717 12.401 -6.937 426 HE1 TYR 55 HE2 TYR 55 -1.431 8.250 -8.381 427 HE2 TYR 55 HE1 TYR 55 -1.279 12.387 -7.286 428 HH TYR 55 HH TYR 55 0.485 9.693 -8.611 429 HB2 TYR 55 1HB TYR 55 -5.962 9.752 -8.106 430 HB3 TYR 55 2HB TYR 55 -5.824 11.405 -7.584 431 H THR 56 H THR 56 -8.243 9.124 -4.922 432 HA THR 56 HA THR 56 -7.554 6.391 -4.314 433 HB THR 56 HB THR 56 -10.321 7.647 -4.841 434 HG1 THR 56 HG1 THR 56 -9.238 7.195 -2.313 435 HG21 THR 56 3HG2 THR 56 -11.233 5.991 -3.264 436 HG22 THR 56 1HG2 THR 56 -10.465 5.106 -4.591 437 HG23 THR 56 2HG2 THR 56 -9.650 5.231 -3.026 438 H SER 57 H SER 57 -6.735 5.221 -5.917 439 HA SER 57 HA SER 57 -8.088 4.959 -8.637 440 HG SER 57 HG SER 57 -5.178 6.523 -6.941 441 HB2 SER 57 1HB SER 57 -5.788 5.548 -9.530 442 HB3 SER 57 2HB SER 57 -6.554 6.831 -8.582 443 H THR 58 H THR 58 -7.250 3.361 -10.069 444 HA THR 58 HA THR 58 -5.773 1.037 -8.750 445 HB THR 58 HB THR 58 -8.142 0.536 -8.858 446 HG1 THR 58 HG1 THR 58 -7.569 -1.390 -10.408 447 HG21 THR 58 3HG2 THR 58 -7.838 0.396 -11.947 448 HG22 THR 58 1HG2 THR 58 -9.231 -0.160 -10.988 449 HG23 THR 58 2HG2 THR 58 -8.855 1.564 -11.082 450 H GLN 59 H GLN 59 -5.262 -0.547 -10.573 451 HA GLN 59 HA GLN 59 -3.492 0.700 -12.702 452 HB2 GLN 59 1HB GLN 59 -2.539 1.133 -10.300 453 HB3 GLN 59 2HB GLN 59 -2.155 -0.553 -10.219 454 HG2 GLN 59 1HG GLN 59 -0.508 -0.359 -12.037 455 HG3 GLN 59 2HG GLN 59 -1.096 1.241 -12.500 456 HE21 GLN 59 1HE2 GLN 59 0.885 -0.464 -10.231 457 HE22 GLN 59 2HE2 GLN 59 1.411 1.034 -9.308 458 H ARG 60 H ARG 60 -3.018 -0.766 -14.178 459 HA ARG 60 HA ARG 60 -3.264 -2.836 -15.420 460 HE ARG 60 HE ARG 60 -2.200 -0.657 -16.574 461 HB2 ARG 60 1HB ARG 60 -0.988 -2.945 -13.393 462 HB3 ARG 60 2HB ARG 60 -1.220 -4.245 -14.530 463 HG2 ARG 60 1HG ARG 60 0.404 -2.933 -15.468 464 HG3 ARG 60 2HG ARG 60 -0.979 -2.743 -16.499 465 HD2 ARG 60 1HD ARG 60 -0.249 -0.657 -14.324 466 HD3 ARG 60 2HD ARG 60 0.580 -0.714 -15.887 467 HH11 ARG 60 2HH2 ARG 60 0.110 1.473 -15.079 468 HH12 ARG 60 1HH2 ARG 60 -0.789 2.957 -15.652 469 HH21 ARG 60 2HH1 ARG 60 -3.208 1.051 -17.181 470 HH22 ARG 60 1HH1 ARG 60 -2.575 2.704 -16.777 471 H VAL 61 H VAL 61 -5.368 -3.596 -14.893 472 HA VAL 61 HA VAL 61 -5.918 -5.321 -12.712 473 HB VAL 61 HB VAL 61 -7.574 -4.072 -14.023 474 HG11 VAL 61 1HG1 VAL 61 -7.600 -6.401 -16.063 475 HG12 VAL 61 2HG1 VAL 61 -8.708 -5.015 -15.999 476 HG13 VAL 61 3HG1 VAL 61 -7.001 -4.763 -16.402 477 HG21 VAL 61 3HG2 VAL 61 -9.447 -5.637 -13.682 478 HG22 VAL 61 1HG2 VAL 61 -8.339 -7.026 -13.591 479 HG23 VAL 61 2HG2 VAL 61 -8.286 -5.756 -12.348 480 H ASP 62 H ASP 62 -4.819 -6.452 -15.849 481 HA ASP 62 HA ASP 62 -4.584 -9.316 -14.850 482 HB2 ASP 62 1HB ASP 62 -5.154 -8.653 -17.325 483 HB3 ASP 62 2HB ASP 62 -3.478 -8.167 -17.501 484 H ARG 63 H ARG 63 -2.223 -10.154 -15.265 485 HA ARG 63 HA ARG 63 -0.676 -8.654 -13.091 486 HE ARG 63 HE ARG 63 1.714 -14.368 -15.029 487 HB2 ARG 63 1HB ARG 63 0.386 -10.622 -12.467 488 HB3 ARG 63 2HB ARG 63 -1.297 -10.981 -12.660 489 HG2 ARG 63 1HG ARG 63 -0.792 -12.768 -13.974 490 HG3 ARG 63 2HG ARG 63 -0.219 -11.692 -15.227 491 HD2 ARG 63 1HD ARG 63 2.085 -11.679 -13.730 492 HD3 ARG 63 2HD ARG 63 1.379 -13.091 -12.997 493 HH11 ARG 63 2HH2 ARG 63 2.322 -10.990 -15.724 494 HH12 ARG 63 1HH2 ARG 63 3.418 -11.409 -17.138 495 HH21 ARG 63 2HH1 ARG 63 2.897 -14.792 -16.696 496 HH22 ARG 63 1HH1 ARG 63 3.641 -13.439 -17.667 497 H LEU 64 H LEU 64 -0.418 -7.206 -15.067 498 HA LEU 64 HA LEU 64 1.592 -7.938 -17.064 499 HG LEU 64 HG LEU 64 -1.375 -7.007 -17.187 500 HB2 LEU 64 1HB LEU 64 0.325 -5.193 -16.526 501 HB3 LEU 64 2HB LEU 64 1.268 -5.593 -17.951 502 HD11 LEU 64 1HD1 LEU 64 -2.323 -5.592 -19.076 503 HD12 LEU 64 2HD1 LEU 64 -1.812 -4.642 -17.673 504 HD13 LEU 64 3HD1 LEU 64 -0.791 -4.682 -19.131 505 HD21 LEU 64 3HD2 LEU 64 -1.320 -7.781 -19.592 506 HD22 LEU 64 1HD2 LEU 64 0.319 -7.114 -19.778 507 HD23 LEU 64 2HD2 LEU 64 0.010 -8.459 -18.658 508 H ALA 65 H ALA 65 1.821 -5.276 -14.750 509 HA ALA 65 HA ALA 65 4.828 -5.786 -14.519 510 HB1 ALA 65 3HB ALA 65 3.667 -2.953 -14.942 511 HB2 ALA 65 1HB ALA 65 5.362 -3.354 -14.583 512 HB3 ALA 65 2HB ALA 65 4.629 -3.901 -16.101 513 H ARG 66 H ARG 66 2.245 -3.795 -13.044 514 HA ARG 66 HA ARG 66 2.648 -5.089 -10.441 515 HE ARG 66 HE ARG 66 2.350 -2.868 -6.223 516 HB2 ARG 66 1HB ARG 66 4.490 -3.441 -10.255 517 HB3 ARG 66 2HB ARG 66 3.401 -2.111 -10.612 518 HG2 ARG 66 1HG ARG 66 3.759 -2.086 -8.257 519 HG3 ARG 66 2HG ARG 66 2.093 -2.551 -8.521 520 HD2 ARG 66 1HD ARG 66 2.804 -5.030 -8.122 521 HD3 ARG 66 2HD ARG 66 4.432 -4.414 -7.708 522 HH11 ARG 66 2HH2 ARG 66 4.037 -5.917 -6.099 523 HH12 ARG 66 1HH2 ARG 66 3.723 -6.113 -4.311 524 HH21 ARG 66 2HH1 ARG 66 1.691 -3.259 -4.370 525 HH22 ARG 66 1HH1 ARG 66 2.375 -4.671 -3.383 526 H THR 67 H THR 67 0.560 -5.639 -10.928 527 HA THR 67 HA THR 67 -1.740 -3.905 -11.043 528 HB THR 67 HB THR 67 -1.574 -6.659 -9.657 529 HG1 THR 67 HG1 THR 67 -2.394 -6.017 -12.306 530 HG21 THR 67 3HG2 THR 67 -3.996 -6.850 -10.418 531 HG22 THR 67 1HG2 THR 67 -3.793 -5.594 -9.181 532 HG23 THR 67 2HG2 THR 67 -3.983 -5.131 -10.887 533 H GLU 68 H GLU 68 -2.634 -2.567 -9.609 534 HA GLU 68 HA GLU 68 -2.073 -2.732 -6.624 535 HB2 GLU 68 1HB GLU 68 -0.087 -1.571 -8.035 536 HB3 GLU 68 2HB GLU 68 -1.162 -0.207 -8.128 537 HG2 GLU 68 1HG GLU 68 -0.054 0.378 -6.199 538 HG3 GLU 68 2HG GLU 68 -1.320 -0.544 -5.407 539 H ILE 69 H ILE 69 -4.021 -2.319 -5.760 540 HA ILE 69 HA ILE 69 -5.722 0.016 -6.731 541 HB ILE 69 HB ILE 69 -6.383 -1.928 -4.424 542 HG12 ILE 69 1HG1 ILE 69 -8.384 -2.477 -6.043 543 HG13 ILE 69 2HG1 ILE 69 -7.447 -1.759 -7.341 544 HG21 ILE 69 1HG2 ILE 69 -8.633 -0.801 -4.503 545 HG22 ILE 69 2HG2 ILE 69 -7.400 0.419 -4.188 546 HG23 ILE 69 3HG2 ILE 69 -8.074 0.276 -5.815 547 HD11 ILE 69 3HD1 ILE 69 -6.593 -4.212 -5.644 548 HD12 ILE 69 1HD1 ILE 69 -7.362 -4.271 -7.240 549 HD13 ILE 69 2HD1 ILE 69 -5.732 -3.612 -7.090 550 H LYS 70 H LYS 70 -5.490 1.947 -5.807 551 HA LYS 70 HA LYS 70 -3.562 2.306 -3.424 552 HB2 LYS 70 1HB LYS 70 -3.764 4.145 -5.875 553 HB3 LYS 70 2HB LYS 70 -2.609 4.254 -4.581 554 HG2 LYS 70 1HG LYS 70 -1.193 2.635 -5.424 555 HG3 LYS 70 2HG LYS 70 -2.440 1.639 -6.126 556 HD2 LYS 70 1HD LYS 70 -1.555 4.368 -7.259 557 HD3 LYS 70 2HD LYS 70 -0.931 2.800 -7.783 558 HE2 LYS 70 1HE LYS 70 -3.290 2.090 -8.446 559 HE3 LYS 70 2HE LYS 70 -3.908 3.659 -7.988 560 HZ1 LYS 70 3HZ LYS 70 -1.699 3.347 -10.014 561 HZ2 LYS 70 1HZ LYS 70 -3.307 3.483 -10.427 562 HZ3 LYS 70 2HZ LYS 70 -2.528 4.741 -9.674 563 H ASN 71 H ASN 71 -5.599 2.404 -2.243 564 HA ASN 71 HA ASN 71 -7.404 4.804 -2.716 565 HB2 ASN 71 1HB ASN 71 -7.533 2.564 -0.621 566 HB3 ASN 71 2HB ASN 71 -8.720 3.828 -0.770 567 HD21 ASN 71 1HD2 ASN 71 -9.202 1.065 -0.931 568 HD22 ASN 71 2HD2 ASN 71 -9.939 0.825 -2.619 569 H PHE 72 H PHE 72 -5.473 6.132 -2.379 570 HA PHE 72 HA PHE 72 -4.705 6.599 0.544 571 HD1 PHE 72 HD2 PHE 72 -2.895 4.881 1.541 572 HD2 PHE 72 HD1 PHE 72 -0.897 7.713 -1.017 573 HE1 PHE 72 HE2 PHE 72 -1.101 5.122 3.201 574 HE2 PHE 72 HE1 PHE 72 0.944 7.873 0.626 575 HZ PHE 72 HZ PHE 72 0.837 6.604 2.735 576 HB2 PHE 72 1HB PHE 72 -3.312 5.025 -1.025 577 HB3 PHE 72 2HB PHE 72 -2.816 6.455 -1.900 578 H THR 73 H THR 73 -4.557 8.573 1.272 579 HA THR 73 HA THR 73 -4.210 10.932 -0.671 580 HB THR 73 HB THR 73 -5.867 10.849 1.909 581 HG1 THR 73 HG1 THR 73 -6.531 9.959 -0.235 582 HG21 THR 73 3HG2 THR 73 -6.573 13.149 1.313 583 HG22 THR 73 1HG2 THR 73 -4.807 13.168 1.515 584 HG23 THR 73 2HG2 THR 73 -5.514 13.168 -0.110 585 H VAL 74 H VAL 74 -2.214 11.603 -0.464 586 HA VAL 74 HA VAL 74 -0.980 11.922 2.314 587 HB VAL 74 HB VAL 74 -0.016 9.959 1.477 588 HG11 VAL 74 1HG1 VAL 74 1.450 9.824 -0.554 589 HG12 VAL 74 2HG1 VAL 74 -0.229 10.167 -1.012 590 HG13 VAL 74 3HG1 VAL 74 0.974 11.475 -1.012 591 HG21 VAL 74 3HG2 VAL 74 1.552 11.662 2.684 592 HG22 VAL 74 1HG2 VAL 74 2.368 10.442 1.669 593 HG23 VAL 74 2HG2 VAL 74 2.155 12.116 1.086 594 H PHE 75 H PHE 75 -0.078 13.778 2.716 595 HA PHE 75 HA PHE 75 -0.311 15.997 0.648 596 HD1 PHE 75 HD1 PHE 75 -2.457 14.740 3.581 597 HD2 PHE 75 HD2 PHE 75 -1.879 18.432 1.458 598 HE1 PHE 75 HE1 PHE 75 -4.901 14.948 3.269 599 HE2 PHE 75 HE2 PHE 75 -4.314 18.613 1.115 600 HZ PHE 75 HZ PHE 75 -5.829 16.872 2.020 601 HB2 PHE 75 1HB PHE 75 -0.222 15.997 3.729 602 HB3 PHE 75 2HB PHE 75 -0.024 17.466 2.807 603 H PHE 76 H PHE 76 1.237 17.285 0.037 604 HA PHE 76 HA PHE 76 4.099 16.933 1.071 605 HD1 PHE 76 HD1 PHE 76 5.457 14.855 0.012 606 HD2 PHE 76 HD2 PHE 76 2.270 15.461 -2.796 607 HE1 PHE 76 HE1 PHE 76 5.201 12.404 -0.260 608 HE2 PHE 76 HE2 PHE 76 2.076 13.042 -3.114 609 HZ PHE 76 HZ PHE 76 3.531 11.494 -1.810 610 HB2 PHE 76 1HB PHE 76 3.314 17.386 -1.886 611 HB3 PHE 76 2HB PHE 76 4.934 17.205 -1.251 612 H GLU 77 H GLU 77 5.309 18.759 1.231 613 HA GLU 77 HA GLU 77 3.853 21.422 1.165 614 HB2 GLU 77 1HB GLU 77 4.993 20.855 3.156 615 HB3 GLU 77 2HB GLU 77 6.493 20.429 2.370 616 HG2 GLU 77 1HG GLU 77 5.401 23.324 2.372 617 HG3 GLU 77 2HG GLU 77 6.365 22.651 3.673 618 H ASN 78 H ASN 78 7.138 20.708 0.205 619 HA ASN 78 HA ASN 78 6.643 21.973 -2.561 620 HB2 ASN 78 1HB ASN 78 8.318 23.040 -0.986 621 HB3 ASN 78 2HB ASN 78 9.311 21.614 -1.040 622 HD21 ASN 78 1HD2 ASN 78 8.490 24.511 -2.658 623 HD22 ASN 78 2HD2 ASN 78 9.621 24.223 -4.086 624 H GLU 79 H GLU 79 9.133 19.573 -1.623 625 HA GLU 79 HA GLU 79 7.063 17.526 -2.275 626 HB2 GLU 79 1HB GLU 79 8.215 16.014 -3.512 627 HB3 GLU 79 2HB GLU 79 8.269 17.548 -4.340 628 HG2 GLU 79 1HG GLU 79 10.662 17.817 -3.967 629 HG3 GLU 79 2HG GLU 79 10.732 16.472 -2.831 630 H GLN 80 H GLN 80 8.555 18.558 0.199 631 HA GLN 80 HA GLN 80 9.466 15.957 1.388 632 HB2 GLN 80 1HB GLN 80 9.847 17.037 3.450 633 HB3 GLN 80 2HB GLN 80 10.635 17.903 2.143 634 HG2 GLN 80 1HG GLN 80 8.721 19.631 2.196 635 HG3 GLN 80 2HG GLN 80 8.036 18.794 3.580 636 HE21 GLN 80 1HE2 GLN 80 9.442 21.503 3.066 637 HE22 GLN 80 2HE2 GLN 80 10.551 21.565 4.552 638 H VAL 81 H VAL 81 8.331 14.671 2.672 639 HA VAL 81 HA VAL 81 5.413 14.756 2.186 640 HB VAL 81 HB VAL 81 6.661 12.578 3.927 641 HG11 VAL 81 1HG1 VAL 81 4.205 12.569 3.707 642 HG12 VAL 81 2HG1 VAL 81 4.307 12.640 1.938 643 HG13 VAL 81 3HG1 VAL 81 4.868 11.190 2.801 644 HG21 VAL 81 3HG2 VAL 81 7.049 11.191 1.839 645 HG22 VAL 81 1HG2 VAL 81 6.955 12.687 0.861 646 HG23 VAL 81 2HG2 VAL 81 8.201 12.493 2.070 647 H VAL 82 H VAL 82 3.859 15.366 3.430 648 HA VAL 82 HA VAL 82 4.496 16.486 6.165 649 HB VAL 82 HB VAL 82 2.167 16.967 4.222 650 HG11 VAL 82 1HG1 VAL 82 2.672 18.398 6.922 651 HG12 VAL 82 2HG1 VAL 82 1.493 18.884 5.679 652 HG13 VAL 82 3HG1 VAL 82 1.286 17.355 6.545 653 HG21 VAL 82 3HG2 VAL 82 3.214 19.029 3.663 654 HG22 VAL 82 1HG2 VAL 82 4.271 19.044 5.110 655 HG23 VAL 82 2HG2 VAL 82 4.603 17.950 3.771 656 H ARG 83 H ARG 83 1.670 14.696 4.836 657 HA ARG 83 HA ARG 83 1.732 12.737 7.012 658 HE ARG 83 HE ARG 83 -1.874 13.578 5.559 659 HB2 ARG 83 1HB ARG 83 -0.273 13.199 8.286 660 HB3 ARG 83 2HB ARG 83 0.901 14.465 8.426 661 HG2 ARG 83 1HG ARG 83 -0.784 15.889 8.193 662 HG3 ARG 83 2HG ARG 83 -0.647 15.664 6.472 663 HD2 ARG 83 1HD ARG 83 -2.563 14.083 8.338 664 HD3 ARG 83 2HD ARG 83 -2.997 15.544 7.423 665 HH11 ARG 83 2HH2 ARG 83 -4.708 13.792 7.577 666 HH12 ARG 83 1HH2 ARG 83 -5.608 12.582 6.496 667 HH21 ARG 83 2HH1 ARG 83 -3.017 12.463 4.248 668 HH22 ARG 83 1HH1 ARG 83 -4.731 11.966 4.685 669 H TRP 84 H TRP 84 0.274 11.036 6.813 670 HA TRP 84 HA TRP 84 -1.243 10.873 4.180 671 HD1 TRP 84 HD1 TRP 84 -0.089 6.900 6.155 672 HE1 TRP 84 HE1 TRP 84 2.080 6.056 7.377 673 HE3 TRP 84 HE3 TRP 84 3.097 10.510 4.380 674 HZ2 TRP 84 HZ2 TRP 84 4.767 7.010 7.544 675 HZ3 TRP 84 HZ3 TRP 84 5.482 10.449 5.090 676 HH2 TRP 84 HH2 TRP 84 6.294 8.739 6.616 677 HB2 TRP 84 1HB TRP 84 -0.339 8.605 3.813 678 HB3 TRP 84 2HB TRP 84 0.847 9.872 3.707 679 H GLU 85 H GLU 85 -2.966 9.603 4.018 680 HA GLU 85 HA GLU 85 -3.359 7.417 5.968 681 HB2 GLU 85 1HB GLU 85 -5.367 7.664 6.866 682 HB3 GLU 85 2HB GLU 85 -4.661 9.233 7.098 683 HG2 GLU 85 1HG GLU 85 -6.678 8.646 4.813 684 HG3 GLU 85 2HG GLU 85 -7.173 8.970 6.462 685 H GLY 86 H GLY 86 -4.578 5.740 5.287 686 HA2 GLY 86 1HA GLY 86 -6.476 5.582 3.269 687 HA3 GLY 86 2HA GLY 86 -4.993 5.420 2.329 688 H ASP 87 H ASP 87 -6.423 3.660 1.815 689 HA ASP 87 HA ASP 87 -5.506 1.123 3.177 690 HB2 ASP 87 1HB ASP 87 -7.486 -0.089 2.720 691 HB3 ASP 87 2HB ASP 87 -7.943 1.339 3.609 692 H TYR 88 H TYR 88 -5.578 -0.708 1.421 693 HA TYR 88 HA TYR 88 -4.621 0.176 -1.249 694 HD1 TYR 88 HD2 TYR 88 -1.497 -0.809 -2.274 695 HD2 TYR 88 HD1 TYR 88 -2.361 2.721 0.050 696 HE1 TYR 88 HE2 TYR 88 -0.028 0.506 -3.695 697 HE2 TYR 88 HE1 TYR 88 -0.844 4.012 -1.385 698 HH TYR 88 HH TYR 88 1.215 2.361 -3.679 699 HB2 TYR 88 1HB TYR 88 -2.805 0.564 0.986 700 HB3 TYR 88 2HB TYR 88 -2.226 -0.887 0.268 701 H PHE 89 H PHE 89 -3.556 -1.431 -2.466 702 HA PHE 89 HA PHE 89 -4.606 -3.934 -2.834 703 HD1 PHE 89 HD2 PHE 89 -4.301 -4.568 -5.441 704 HD2 PHE 89 HD1 PHE 89 -0.419 -5.173 -3.704 705 HE1 PHE 89 HE2 PHE 89 -3.979 -6.565 -6.848 706 HE2 PHE 89 HE1 PHE 89 -0.106 -7.173 -5.098 707 HZ PHE 89 HZ PHE 89 -1.885 -7.877 -6.677 708 HB2 PHE 89 1HB PHE 89 -2.870 -2.648 -4.216 709 HB3 PHE 89 2HB PHE 89 -1.621 -3.178 -3.133 710 HA PRO 90 HA PRO 90 -3.026 -6.719 0.570 711 HB2 PRO 90 1HB PRO 90 -3.956 -9.159 -0.324 712 HB3 PRO 90 2HB PRO 90 -5.013 -7.873 0.304 713 HG2 PRO 90 1HG PRO 90 -4.358 -8.454 -2.655 714 HG3 PRO 90 2HG PRO 90 -5.981 -8.313 -1.923 715 HD2 PRO 90 1HD PRO 90 -4.760 -6.167 -3.177 716 HD3 PRO 90 2HD PRO 90 -5.772 -5.896 -1.721 717 H SER 91 H SER 91 -1.061 -6.014 -0.234 718 HA SER 91 HA SER 91 0.549 -7.386 -2.212 719 HG SER 91 HG SER 91 3.219 -5.731 -1.271 720 HB2 SER 91 1HB SER 91 0.535 -4.920 -1.703 721 HB3 SER 91 2HB SER 91 1.429 -5.226 -0.212 722 H GLN 92 H GLN 92 0.369 -9.429 -1.094 723 HA GLN 92 HA GLN 92 2.641 -10.144 0.710 724 HB2 GLN 92 1HB GLN 92 2.135 -12.438 0.416 725 HB3 GLN 92 2HB GLN 92 0.657 -11.545 0.657 726 HG2 GLN 92 1HG GLN 92 1.653 -12.598 -2.091 727 HG3 GLN 92 2HG GLN 92 0.607 -13.468 -1.001 728 HE21 GLN 92 1HE2 GLN 92 0.659 -11.018 -3.405 729 HE22 GLN 92 2HE2 GLN 92 -1.139 -10.643 -3.269 730 H ASP 93 H ASP 93 3.743 -8.618 -0.979 731 HA ASP 93 HA ASP 93 6.262 -9.572 -1.376 732 HB2 ASP 93 1HB ASP 93 5.604 -11.183 -3.198 733 HB3 ASP 93 2HB ASP 93 5.006 -9.856 -4.185 734 H GLU 94 H GLU 94 7.147 -7.740 -1.164 735 HA GLU 94 HA GLU 94 7.142 -5.935 -3.533 736 HB2 GLU 94 1HB GLU 94 7.583 -4.504 -0.850 737 HB3 GLU 94 2HB GLU 94 7.486 -3.832 -2.460 738 HG2 GLU 94 1HG GLU 94 5.464 -3.155 -1.605 739 HG3 GLU 94 2HG GLU 94 4.960 -4.587 -2.481 740 H GLN 95 H GLN 95 8.855 -8.054 -2.529 741 HA GLN 95 HA GLN 95 11.578 -6.635 -2.690 742 HB2 GLN 95 1HB GLN 95 11.288 -8.063 -0.600 743 HB3 GLN 95 2HB GLN 95 11.039 -9.479 -1.618 744 HG2 GLN 95 1HG GLN 95 13.381 -9.162 -2.595 745 HG3 GLN 95 2HG GLN 95 13.577 -7.700 -1.647 746 HE21 GLN 95 1HE2 GLN 95 13.173 -11.213 -1.350 747 HE22 GLN 95 2HE2 GLN 95 14.041 -11.258 0.278 748 H LEU 96 H LEU 96 10.748 -6.379 -4.778 749 HA LEU 96 HA LEU 96 8.813 -8.076 -5.460 750 HG LEU 96 HG LEU 96 8.042 -7.140 -8.396 751 HB2 LEU 96 1HB LEU 96 8.953 -5.632 -5.855 752 HB3 LEU 96 2HB LEU 96 9.975 -5.889 -7.265 753 HD11 LEU 96 1HD1 LEU 96 6.719 -7.849 -6.381 754 HD12 LEU 96 2HD1 LEU 96 6.424 -6.156 -5.940 755 HD13 LEU 96 3HD1 LEU 96 5.740 -6.840 -7.443 756 HD21 LEU 96 3HD2 LEU 96 7.447 -4.246 -7.463 757 HD22 LEU 96 1HD2 LEU 96 8.498 -4.701 -8.825 758 HD23 LEU 96 2HD2 LEU 96 6.765 -5.053 -8.895 759 H ALA 97 H ALA 97 8.519 -9.910 -6.442 760 HA ALA 97 HA ALA 97 10.231 -11.112 -8.534 761 HB1 ALA 97 3HB ALA 97 8.785 -12.444 -7.019 762 HB2 ALA 97 1HB ALA 97 7.317 -11.704 -7.693 763 HB3 ALA 97 2HB ALA 97 8.334 -12.755 -8.708 764 H LYS 98 H LYS 98 10.407 -10.339 -10.503 765 HA LYS 98 HA LYS 98 8.684 -8.128 -11.400 766 HB2 LYS 98 1HB LYS 98 11.088 -9.363 -12.863 767 HB3 LYS 98 2HB LYS 98 10.332 -7.830 -13.241 768 HG2 LYS 98 1HG LYS 98 11.841 -8.513 -10.634 769 HG3 LYS 98 2HG LYS 98 12.466 -7.610 -12.004 770 HD2 LYS 98 1HD LYS 98 10.733 -5.775 -11.593 771 HD3 LYS 98 2HD LYS 98 10.057 -6.725 -10.279 772 HE2 LYS 98 1HE LYS 98 11.383 -5.104 -9.201 773 HE3 LYS 98 2HE LYS 98 12.224 -6.636 -8.997 774 HZ1 LYS 98 3HZ LYS 98 13.797 -4.825 -9.704 775 HZ2 LYS 98 1HZ LYS 98 13.740 -5.968 -10.883 776 HZ3 LYS 98 2HZ LYS 98 12.941 -4.552 -11.084 777 H ALA 99 H ALA 99 6.821 -8.464 -12.351 778 HA ALA 99 HA ALA 99 6.048 -10.804 -13.835 779 HB1 ALA 99 3HB ALA 99 4.690 -8.036 -13.636 780 HB2 ALA 99 1HB ALA 99 3.913 -9.525 -14.189 781 HB3 ALA 99 2HB ALA 99 4.488 -9.406 -12.517 782 H ALA 100 H ALA 100 6.379 -11.339 -15.809 783 HA ALA 100 HA ALA 100 7.431 -9.576 -17.950 784 HB1 ALA 100 3HB ALA 100 7.419 -11.657 -19.335 785 HB2 ALA 100 1HB ALA 100 8.151 -11.927 -17.745 786 HB3 ALA 100 2HB ALA 100 6.504 -12.518 -18.079 787 HA PRO 101 HA PRO 101 3.219 -8.222 -18.677 788 HB2 PRO 101 1HB PRO 101 3.493 -6.305 -20.671 789 HB3 PRO 101 2HB PRO 101 4.053 -6.152 -18.994 790 HG2 PRO 101 1HG PRO 101 5.721 -7.090 -21.415 791 HG3 PRO 101 2HG PRO 101 6.120 -5.771 -20.277 792 HD2 PRO 101 1HD PRO 101 7.174 -8.268 -19.881 793 HD3 PRO 101 2HD PRO 101 6.560 -7.354 -18.461 794 H LYS 102 H LYS 102 2.227 -10.035 -19.289 795 HA LYS 102 HA LYS 102 1.871 -11.044 -22.015 796 HB2 LYS 102 1HB LYS 102 1.566 -12.321 -19.895 797 HB3 LYS 102 2HB LYS 102 0.171 -11.341 -19.480 798 HG2 LYS 102 1HG LYS 102 -0.632 -12.377 -21.999 799 HG3 LYS 102 2HG LYS 102 0.481 -13.616 -21.472 800 HD2 LYS 102 1HD LYS 102 -1.666 -14.319 -20.695 801 HD3 LYS 102 2HD LYS 102 -0.826 -13.768 -19.246 802 HE2 LYS 102 1HE LYS 102 -2.039 -11.458 -19.538 803 HE3 LYS 102 2HE LYS 102 -2.920 -12.138 -20.890 804 HZ1 LYS 102 3HZ LYS 102 -2.956 -13.412 -18.151 805 HZ2 LYS 102 1HZ LYS 102 -3.958 -12.177 -18.505 806 HZ3 LYS 102 2HZ LYS 102 -4.093 -13.633 -19.343 807 H GLN 103 H GLN 103 1.566 -8.949 -22.965 808 HA GLN 103 HA GLN 103 -1.400 -8.346 -23.505 809 HB2 GLN 103 1HB GLN 103 -1.015 -5.947 -23.436 810 HB3 GLN 103 2HB GLN 103 -0.746 -6.742 -21.901 811 HG2 GLN 103 1HG GLN 103 1.798 -6.609 -22.326 812 HG3 GLN 103 2HG GLN 103 1.491 -5.706 -23.788 813 HE21 GLN 103 1HE2 GLN 103 0.579 -3.551 -23.538 814 HE22 GLN 103 2HE2 GLN 103 0.801 -2.705 -21.915 815 H PHE 104 H PHE 104 -0.717 -9.872 -25.210 816 HA PHE 104 HA PHE 104 -0.121 -8.400 -27.783 817 HD1 PHE 104 HD2 PHE 104 1.610 -12.447 -27.547 818 HD2 PHE 104 HD1 PHE 104 2.981 -9.179 -25.089 819 HE1 PHE 104 HE2 PHE 104 2.655 -14.038 -25.998 820 HE2 PHE 104 HE1 PHE 104 4.042 -10.785 -23.562 821 HZ PHE 104 HZ PHE 104 3.874 -13.220 -24.000 822 HB2 PHE 104 1HB PHE 104 1.744 -9.963 -28.430 823 HB3 PHE 104 2HB PHE 104 2.082 -8.701 -27.291 824 H GLY 105 H GLY 105 -2.434 -9.118 -27.566 825 HA2 GLY 105 1HA GLY 105 -3.142 -11.898 -28.339 826 HA3 GLY 105 2HA GLY 105 -4.232 -10.535 -28.341 827 H ARG 106 H ARG 106 -1.568 -11.849 -30.205 828 HA ARG 106 HA ARG 106 -2.367 -10.529 -32.731 829 HE ARG 106 HE ARG 106 1.198 -13.000 -36.551 830 HB2 ARG 106 1HB ARG 106 -0.059 -10.969 -32.082 831 HB3 ARG 106 2HB ARG 106 -0.295 -12.701 -32.069 832 HG2 ARG 106 1HG ARG 106 -1.049 -11.555 -34.736 833 HG3 ARG 106 2HG ARG 106 0.529 -10.975 -34.265 834 HD2 ARG 106 1HD ARG 106 1.501 -13.162 -34.131 835 HD3 ARG 106 2HD ARG 106 -0.023 -13.994 -33.970 836 HH11 ARG 106 2HH2 ARG 106 -1.758 -14.200 -35.079 837 HH12 ARG 106 1HH2 ARG 106 -2.346 -14.777 -36.735 838 HH21 ARG 106 2HH1 ARG 106 0.403 -13.687 -38.369 839 HH22 ARG 106 1HH1 ARG 106 -1.236 -14.496 -38.402 840 H ASN 107 H ASN 107 -4.543 -11.271 -32.638 841 HA ASN 107 HA ASN 107 -5.198 -14.063 -33.599 842 HB2 ASN 107 1HB ASN 107 -7.010 -11.666 -32.869 843 HB3 ASN 107 2HB ASN 107 -7.600 -13.222 -33.395 844 HD21 ASN 107 1HD2 ASN 107 -6.371 -11.528 -30.659 845 HD22 ASN 107 2HD2 ASN 107 -6.555 -12.988 -29.548 846 H LEU 108 H LEU 108 -4.353 -14.109 -35.622 847 HA LEU 108 HA LEU 108 -6.061 -13.026 -37.842 848 HG LEU 108 HG LEU 108 -5.381 -11.526 -39.701 849 HB2 LEU 108 1HB LEU 108 -4.411 -11.200 -37.296 850 HB3 LEU 108 2HB LEU 108 -3.068 -12.221 -37.753 851 HD11 LEU 108 1HD1 LEU 108 -2.754 -9.948 -39.248 852 HD12 LEU 108 2HD1 LEU 108 -3.955 -9.641 -40.525 853 HD13 LEU 108 3HD1 LEU 108 -4.393 -9.396 -38.828 854 HD21 LEU 108 3HD2 LEU 108 -3.635 -11.900 -41.477 855 HD22 LEU 108 1HD2 LEU 108 -2.439 -12.366 -40.247 856 HD23 LEU 108 2HD2 LEU 108 -3.871 -13.372 -40.548 857 H ALA 109 H ALA 109 -6.495 -14.992 -38.664 858 HA ALA 109 HA ALA 109 -4.517 -17.172 -38.923 859 HB1 ALA 109 3HB ALA 109 -7.355 -16.924 -40.118 860 HB2 ALA 109 1HB ALA 109 -6.397 -18.412 -39.964 861 HB3 ALA 109 2HB ALA 109 -6.935 -17.556 -38.508 862 H ARG 110 H ARG 110 -6.057 -15.148 -41.479 863 HA ARG 110 HA ARG 110 -3.595 -15.431 -43.135 864 HE ARG 110 HE ARG 110 -8.953 -16.693 -45.784 865 HB2 ARG 110 1HB ARG 110 -4.539 -16.291 -45.152 866 HB3 ARG 110 2HB ARG 110 -4.780 -17.409 -43.844 867 HG2 ARG 110 1HG ARG 110 -6.706 -17.557 -45.141 868 HG3 ARG 110 2HG ARG 110 -7.238 -16.709 -43.691 869 HD2 ARG 110 1HD ARG 110 -7.232 -14.524 -44.894 870 HD3 ARG 110 2HD ARG 110 -6.466 -15.253 -46.319 871 HH11 ARG 110 2HH2 ARG 110 -7.921 -13.508 -46.846 872 HH12 ARG 110 1HH2 ARG 110 -9.474 -13.287 -47.796 873 HH21 ARG 110 2HH1 ARG 110 -10.681 -16.364 -46.872 874 HH22 ARG 110 1HH1 ARG 110 -10.944 -14.820 -47.792 875 H ASP 111 H ASP 111 -3.567 -14.046 -44.988 876 HA ASP 111 HA ASP 111 -4.374 -11.350 -44.238 877 HB2 ASP 111 1HB ASP 111 -3.002 -10.605 -46.049 878 HB3 ASP 111 2HB ASP 111 -2.199 -11.948 -45.285 879 H LYS 112 H LYS 112 -5.179 -9.809 -45.719 880 HA LYS 112 HA LYS 112 -6.635 -10.740 -48.138 881 HB2 LYS 112 1HB LYS 112 -8.408 -10.285 -46.279 882 HB3 LYS 112 2HB LYS 112 -8.035 -8.589 -46.410 883 HG2 LYS 112 1HG LYS 112 -9.061 -10.440 -48.678 884 HG3 LYS 112 2HG LYS 112 -10.094 -9.499 -47.632 885 HD2 LYS 112 1HD LYS 112 -8.093 -8.355 -49.679 886 HD3 LYS 112 2HD LYS 112 -9.823 -8.550 -49.898 887 HE2 LYS 112 1HE LYS 112 -10.287 -6.931 -47.990 888 HE3 LYS 112 2HE LYS 112 -8.550 -6.730 -47.729 889 HZ1 LYS 112 3HZ LYS 112 -8.332 -5.885 -50.047 890 HZ2 LYS 112 1HZ LYS 112 -9.936 -6.077 -50.336 891 HZ3 LYS 112 2HZ LYS 112 -9.425 -4.955 -49.247 892 H LYS 113 H LYS 113 -4.301 -10.160 -48.423 893 HA LYS 113 HA LYS 113 -4.345 -7.689 -50.112 894 HB2 LYS 113 1HB LYS 113 -3.653 -6.906 -47.733 895 HB3 LYS 113 2HB LYS 113 -2.167 -7.803 -47.909 896 HG2 LYS 113 1HG LYS 113 -3.102 -5.558 -49.848 897 HG3 LYS 113 2HG LYS 113 -2.246 -5.261 -48.347 898 HD2 LYS 113 1HD LYS 113 -0.314 -6.746 -49.200 899 HD3 LYS 113 2HD LYS 113 -1.118 -6.812 -50.771 900 HE2 LYS 113 1HE LYS 113 -1.054 -4.276 -50.946 901 HE3 LYS 113 2HE LYS 113 -0.351 -4.171 -49.329 902 HZ1 LYS 113 3HZ LYS 113 1.556 -4.117 -50.717 903 HZ2 LYS 113 1HZ LYS 113 1.528 -5.715 -50.352 904 HZ3 LYS 113 2HZ LYS 113 1.018 -5.175 -51.824 905 H LYS 114 H LYS 114 -4.331 -9.569 -51.456 906 HA LYS 114 HA LYS 114 -1.949 -11.342 -51.444 907 HB2 LYS 114 1HB LYS 114 -4.663 -11.385 -52.791 908 HB3 LYS 114 2HB LYS 114 -3.417 -12.260 -53.623 909 HG2 LYS 114 1HG LYS 114 -3.919 -12.673 -50.605 910 HG3 LYS 114 2HG LYS 114 -4.793 -13.565 -51.848 911 HD2 LYS 114 1HD LYS 114 -2.790 -14.603 -52.747 912 HD3 LYS 114 2HD LYS 114 -1.717 -13.499 -51.899 913 HE2 LYS 114 1HE LYS 114 -2.476 -14.466 -49.658 914 HE3 LYS 114 2HE LYS 114 -3.457 -15.663 -50.516 915 HZ1 LYS 114 3HZ LYS 114 -1.383 -16.508 -51.636 916 HZ2 LYS 114 1HZ LYS 114 -0.512 -15.260 -51.118 917 HZ3 LYS 114 2HZ LYS 114 -0.959 -16.444 -50.050 918 H GLN 115 H GLN 115 -0.646 -9.441 -51.804 919 HA GLN 115 HA GLN 115 0.475 -9.735 -54.654 920 HB2 GLN 115 1HB GLN 115 -0.126 -7.377 -53.896 921 HB3 GLN 115 2HB GLN 115 1.019 -7.535 -52.560 922 HG2 GLN 115 1HG GLN 115 2.908 -7.786 -54.280 923 HG3 GLN 115 2HG GLN 115 1.716 -7.618 -55.571 924 HE21 GLN 115 1HE2 GLN 115 3.073 -5.796 -56.184 925 HE22 GLN 115 2HE2 GLN 115 2.821 -4.194 -55.316 926 H ARG 116 H ARG 116 0.760 -11.881 -53.387 927 HA ARG 116 HA ARG 116 3.468 -12.461 -52.449 928 HE ARG 116 HE ARG 116 -0.623 -12.807 -47.612 929 HB2 ARG 116 1HB ARG 116 2.948 -12.952 -50.077 930 HB3 ARG 116 2HB ARG 116 3.151 -11.264 -50.485 931 HG2 ARG 116 1HG ARG 116 0.852 -10.707 -50.224 932 HG3 ARG 116 2HG ARG 116 0.284 -12.348 -50.281 933 HD2 ARG 116 1HD ARG 116 2.224 -11.743 -47.971 934 HD3 ARG 116 2HD ARG 116 0.743 -10.825 -47.987 935 HH11 ARG 116 2HH2 ARG 116 2.657 -13.879 -48.246 936 HH12 ARG 116 1HH2 ARG 116 2.068 -15.646 -48.083 937 HH21 ARG 116 2HH1 ARG 116 -1.099 -14.608 -47.352 938 HH22 ARG 116 1HH1 ARG 116 0.079 -16.024 -47.684 939 H GLY 117 H GLY 117 3.458 -14.327 -53.388 940 HA2 GLY 117 1HA GLY 117 1.555 -16.013 -54.327 941 HA3 GLY 117 2HA GLY 117 3.084 -16.683 -53.833 942 H ARG 118 H ARG 118 3.146 -17.226 -51.431 943 HA ARG 118 HA ARG 118 0.735 -19.005 -50.826 944 HE ARG 118 HE ARG 118 1.794 -22.729 -47.665 945 HB2 ARG 118 1HB ARG 118 3.049 -19.981 -51.023 946 HB3 ARG 118 2HB ARG 118 3.573 -19.040 -49.621 947 HG2 ARG 118 1HG ARG 118 1.842 -20.227 -48.193 948 HG3 ARG 118 2HG ARG 118 1.297 -21.140 -49.612 949 HD2 ARG 118 1HD ARG 118 3.626 -22.130 -49.868 950 HD3 ARG 118 2HD ARG 118 4.164 -21.213 -48.434 951 HH11 ARG 118 2HH2 ARG 118 5.090 -23.375 -48.558 952 HH12 ARG 118 1HH2 ARG 118 5.126 -24.933 -47.600 953 HH21 ARG 118 2HH1 ARG 118 1.863 -24.499 -46.591 954 HH22 ARG 118 1HH1 ARG 118 3.368 -25.517 -46.545 Start of MODEL 9 1 HA MET 1 HA MET 1 13.705 5.710 10.163 2 H1 MET 1 1H MET 1 11.819 7.706 9.166 3 H2 MET 1 2H MET 1 12.997 6.926 8.319 4 H3 MET 1 3H MET 1 11.475 6.267 8.520 5 HB2 MET 1 1HB MET 1 11.643 7.516 11.608 6 HB3 MET 1 2HB MET 1 12.816 6.485 12.393 7 HG2 MET 1 1HG MET 1 13.766 8.653 12.440 8 HG3 MET 1 2HG MET 1 14.715 7.800 11.220 9 HE1 MET 1 3HE MET 1 15.627 10.071 10.237 10 HE2 MET 1 1HE MET 1 14.587 11.461 9.820 11 HE3 MET 1 2HE MET 1 14.735 10.942 11.520 12 H ALA 2 H ALA 2 13.074 3.631 9.649 13 HA ALA 2 HA ALA 2 10.210 2.881 9.619 14 HB1 ALA 2 3HB ALA 2 11.775 2.196 7.841 15 HB2 ALA 2 1HB ALA 2 12.728 1.223 8.993 16 HB3 ALA 2 2HB ALA 2 11.056 0.773 8.612 17 H GLY 3 H GLY 3 9.438 2.887 11.646 18 HA2 GLY 3 1HA GLY 3 8.681 1.624 13.630 19 HA3 GLY 3 2HA GLY 3 9.963 0.460 13.387 20 H SER 4 H SER 4 9.539 3.879 14.278 21 HA SER 4 HA SER 4 11.980 3.930 16.012 22 HG SER 4 HG SER 4 10.821 6.293 17.604 23 HB2 SER 4 1HB SER 4 11.183 5.927 14.806 24 HB3 SER 4 2HB SER 4 9.657 5.939 15.704 25 H GLY 5 H GLY 5 11.656 2.237 17.411 26 HA2 GLY 5 1HA GLY 5 11.010 1.542 19.770 27 HA3 GLY 5 2HA GLY 5 9.514 2.442 19.617 28 H ILE 6 H ILE 6 8.292 1.702 17.491 29 HA ILE 6 HA ILE 6 7.680 -1.186 17.850 30 HB ILE 6 HB ILE 6 5.892 0.358 17.757 31 HG12 ILE 6 1HG1 ILE 6 4.352 -0.738 16.143 32 HG13 ILE 6 2HG1 ILE 6 5.683 -1.559 15.352 33 HG21 ILE 6 1HG2 ILE 6 5.105 1.526 15.749 34 HG22 ILE 6 2HG2 ILE 6 6.778 2.005 16.103 35 HG23 ILE 6 3HG2 ILE 6 6.446 0.888 14.764 36 HD11 ILE 6 3HD1 ILE 6 4.880 -1.950 18.328 37 HD12 ILE 6 1HD1 ILE 6 4.433 -3.021 16.986 38 HD13 ILE 6 2HD1 ILE 6 6.132 -2.885 17.471 39 H ILE 7 H ILE 7 9.872 -1.732 17.209 40 HA ILE 7 HA ILE 7 10.399 -1.953 14.288 41 HB ILE 7 HB ILE 7 12.105 -1.234 15.807 42 HG12 ILE 7 1HG1 ILE 7 14.022 -2.554 14.933 43 HG13 ILE 7 2HG1 ILE 7 12.951 -3.822 14.355 44 HG21 ILE 7 1HG2 ILE 7 13.424 -2.745 17.247 45 HG22 ILE 7 2HG2 ILE 7 11.750 -2.716 17.814 46 HG23 ILE 7 3HG2 ILE 7 12.349 -4.119 16.904 47 HD11 ILE 7 3HD1 ILE 7 13.686 -2.236 12.535 48 HD12 ILE 7 1HD1 ILE 7 11.920 -2.212 12.694 49 HD13 ILE 7 2HD1 ILE 7 12.896 -0.878 13.364 50 H TYR 8 H TYR 8 8.401 -3.145 14.158 51 HA TYR 8 HA TYR 8 9.141 -6.010 13.465 52 HD1 TYR 8 HD2 TYR 8 5.502 -3.899 14.792 53 HD2 TYR 8 HD1 TYR 8 5.874 -8.043 13.702 54 HE1 TYR 8 HE2 TYR 8 3.242 -3.853 13.835 55 HE2 TYR 8 HE1 TYR 8 3.593 -7.999 12.783 56 HH TYR 8 HH TYR 8 1.970 -4.927 12.262 57 HB2 TYR 8 1HB TYR 8 7.710 -6.964 14.854 58 HB3 TYR 8 2HB TYR 8 7.476 -5.461 15.662 59 H LYS 9 H LYS 9 8.635 -6.544 11.377 60 HA LYS 9 HA LYS 9 6.390 -5.116 9.954 61 HB2 LYS 9 1HB LYS 9 9.283 -5.017 8.840 62 HB3 LYS 9 2HB LYS 9 7.855 -4.829 7.848 63 HG2 LYS 9 1HG LYS 9 8.200 -2.618 8.196 64 HG3 LYS 9 2HG LYS 9 7.120 -2.912 9.538 65 HD2 LYS 9 1HD LYS 9 9.523 -3.351 10.863 66 HD3 LYS 9 2HD LYS 9 10.161 -2.495 9.491 67 HE2 LYS 9 1HE LYS 9 9.847 -0.839 11.160 68 HE3 LYS 9 2HE LYS 9 8.550 -0.524 10.009 69 HZ1 LYS 9 3HZ LYS 9 7.009 -0.947 11.777 70 HZ2 LYS 9 1HZ LYS 9 7.587 -2.439 11.928 71 HZ3 LYS 9 2HZ LYS 9 8.234 -1.208 12.817 72 H GLN 10 H GLN 10 5.254 -6.520 8.857 73 HA GLN 10 HA GLN 10 5.969 -9.383 9.018 74 HB2 GLN 10 1HB GLN 10 3.474 -8.067 7.779 75 HB3 GLN 10 2HB GLN 10 3.695 -9.790 8.074 76 HG2 GLN 10 1HG GLN 10 3.928 -9.323 10.568 77 HG3 GLN 10 2HG GLN 10 3.658 -7.617 10.267 78 HE21 GLN 10 1HE2 GLN 10 1.709 -7.423 11.383 79 HE22 GLN 10 2HE2 GLN 10 0.219 -8.368 10.875 80 HA PRO 11 HA PRO 11 7.516 -9.094 4.654 81 HB2 PRO 11 1HB PRO 11 9.325 -11.146 4.608 82 HB3 PRO 11 2HB PRO 11 9.503 -9.758 5.706 83 HG2 PRO 11 1HG PRO 11 8.235 -12.496 6.382 84 HG3 PRO 11 2HG PRO 11 9.584 -11.702 7.242 85 HD2 PRO 11 1HD PRO 11 6.946 -11.416 8.093 86 HD3 PRO 11 2HD PRO 11 8.129 -10.082 8.249 87 H ILE 12 H ILE 12 5.144 -9.691 4.352 88 HA ILE 12 HA ILE 12 4.997 -11.640 2.107 89 HB ILE 12 HB ILE 12 4.742 -13.174 4.006 90 HG12 ILE 12 1HG1 ILE 12 2.586 -14.316 3.341 91 HG13 ILE 12 2HG1 ILE 12 2.173 -12.954 2.315 92 HG21 ILE 12 1HG2 ILE 12 2.052 -11.859 4.750 93 HG22 ILE 12 2HG2 ILE 12 2.862 -13.240 5.527 94 HG23 ILE 12 3HG2 ILE 12 3.568 -11.618 5.641 95 HD11 ILE 12 3HD1 ILE 12 4.220 -13.412 0.880 96 HD12 ILE 12 1HD1 ILE 12 4.706 -14.715 1.990 97 HD13 ILE 12 2HD1 ILE 12 3.209 -14.853 1.046 98 H TYR 13 H TYR 13 3.920 -10.610 0.641 99 HA TYR 13 HA TYR 13 1.102 -9.897 1.086 100 HD1 TYR 13 HD1 TYR 13 -0.620 -8.311 1.622 101 HD2 TYR 13 HD2 TYR 13 1.695 -5.974 -1.178 102 HE1 TYR 13 HE1 TYR 13 -2.646 -7.111 0.927 103 HE2 TYR 13 HE2 TYR 13 -0.337 -4.745 -1.796 104 HH TYR 13 HH TYR 13 -3.476 -5.834 -0.953 105 HB2 TYR 13 1HB TYR 13 2.149 -7.698 1.764 106 HB3 TYR 13 2HB TYR 13 2.875 -7.539 0.177 107 H GLN 14 H GLN 14 0.434 -11.220 -0.476 108 HA GLN 14 HA GLN 14 1.446 -11.073 -3.267 109 HB2 GLN 14 1HB GLN 14 0.330 -13.110 -3.593 110 HB3 GLN 14 2HB GLN 14 1.047 -13.146 -2.001 111 HG2 GLN 14 1HG GLN 14 -1.939 -12.874 -2.714 112 HG3 GLN 14 2HG GLN 14 -1.137 -14.262 -2.025 113 HE21 GLN 14 1HE2 GLN 14 -3.208 -12.012 -1.179 114 HE22 GLN 14 2HE2 GLN 14 -2.709 -11.803 0.581 115 H GLY 15 H GLY 15 -0.530 -9.026 -2.026 116 HA2 GLY 15 1HA GLY 15 -2.734 -8.836 -4.075 117 HA3 GLY 15 2HA GLY 15 -2.371 -7.604 -2.916 118 H ASN 16 H ASN 16 -0.290 -6.457 -3.330 119 HA ASN 16 HA ASN 16 0.201 -5.770 -6.200 120 HB2 ASN 16 1HB ASN 16 -0.728 -3.498 -6.022 121 HB3 ASN 16 2HB ASN 16 -1.904 -4.788 -5.957 122 HD21 ASN 16 1HD2 ASN 16 -3.327 -4.857 -4.141 123 HD22 ASN 16 2HD2 ASN 16 -3.124 -3.641 -2.783 124 H LEU 17 H LEU 17 0.584 -3.376 -3.706 125 HA LEU 17 HA LEU 17 3.495 -4.046 -3.247 126 HG LEU 17 HG LEU 17 4.623 -0.734 -4.883 127 HB2 LEU 17 1HB LEU 17 2.999 -2.445 -5.299 128 HB3 LEU 17 2HB LEU 17 2.429 -1.269 -4.148 129 HD11 LEU 17 1HD1 LEU 17 5.739 -0.272 -2.832 130 HD12 LEU 17 2HD1 LEU 17 4.028 -0.495 -2.348 131 HD13 LEU 17 3HD1 LEU 17 5.214 -1.778 -2.055 132 HD21 LEU 17 3HD2 LEU 17 5.452 -2.916 -5.647 133 HD22 LEU 17 1HD2 LEU 17 6.635 -2.243 -4.507 134 HD23 LEU 17 2HD2 LEU 17 5.522 -3.543 -3.989 135 H ILE 18 H ILE 18 0.697 -2.022 -2.322 136 HA ILE 18 HA ILE 18 1.492 -0.568 -0.058 137 HB ILE 18 HB ILE 18 -1.089 -2.156 -0.726 138 HG12 ILE 18 1HG1 ILE 18 -0.893 -0.542 -2.417 139 HG13 ILE 18 2HG1 ILE 18 -2.056 0.108 -1.303 140 HG21 ILE 18 1HG2 ILE 18 -1.268 -1.696 1.693 141 HG22 ILE 18 2HG2 ILE 18 -0.964 0.039 1.426 142 HG23 ILE 18 3HG2 ILE 18 -2.419 -0.771 0.771 143 HD11 ILE 18 3HD1 ILE 18 0.818 1.008 -1.818 144 HD12 ILE 18 1HD1 ILE 18 -0.664 1.968 -1.945 145 HD13 ILE 18 2HD1 ILE 18 -0.012 1.565 -0.338 146 H LYS 19 H LYS 19 1.645 -0.828 2.072 147 HA LYS 19 HA LYS 19 0.721 -3.377 3.418 148 HB2 LYS 19 1HB LYS 19 3.551 -2.261 3.856 149 HB3 LYS 19 2HB LYS 19 2.725 -3.340 4.995 150 HG2 LYS 19 1HG LYS 19 2.386 -5.013 3.078 151 HG3 LYS 19 2HG LYS 19 3.381 -4.009 2.047 152 HD2 LYS 19 1HD LYS 19 5.379 -4.367 3.261 153 HD3 LYS 19 2HD LYS 19 4.596 -4.867 4.744 154 HE2 LYS 19 1HE LYS 19 4.407 -6.517 2.114 155 HE3 LYS 19 2HE LYS 19 5.708 -6.742 3.283 156 HZ1 LYS 19 3HZ LYS 19 2.946 -6.748 4.387 157 HZ2 LYS 19 1HZ LYS 19 3.394 -8.127 3.612 158 HZ3 LYS 19 2HZ LYS 19 4.274 -7.587 4.906 159 H GLN 20 H GLN 20 -0.979 -2.424 4.398 160 HA GLN 20 HA GLN 20 -0.890 0.253 5.633 161 HB2 GLN 20 1HB GLN 20 -2.833 -0.902 4.481 162 HB3 GLN 20 2HB GLN 20 -3.017 -1.969 5.872 163 HG2 GLN 20 1HG GLN 20 -3.528 0.023 7.335 164 HG3 GLN 20 2HG GLN 20 -3.251 1.121 5.991 165 HE21 GLN 20 1HE2 GLN 20 -5.593 1.058 7.408 166 HE22 GLN 20 2HE2 GLN 20 -6.916 0.611 6.213 167 H ASN 21 H ASN 21 1.065 -0.745 6.744 168 HA ASN 21 HA ASN 21 0.818 -0.370 9.600 169 HB2 ASN 21 1HB ASN 21 -0.058 -2.860 9.379 170 HB3 ASN 21 2HB ASN 21 1.589 -3.305 9.053 171 HD21 ASN 21 1HD2 ASN 21 0.104 -1.003 11.508 172 HD22 ASN 21 2HD2 ASN 21 0.728 -2.036 12.874 173 H ALA 22 H ALA 22 2.938 -1.917 7.142 174 HA ALA 22 HA ALA 22 5.401 -0.591 8.266 175 HB1 ALA 22 3HB ALA 22 5.025 -1.971 5.535 176 HB2 ALA 22 1HB ALA 22 6.555 -1.465 6.266 177 HB3 ALA 22 2HB ALA 22 5.602 -2.750 7.027 178 H VAL 23 H VAL 23 3.107 0.269 5.560 179 HA VAL 23 HA VAL 23 4.534 2.791 4.950 180 HB VAL 23 HB VAL 23 1.557 2.159 4.469 181 HG11 VAL 23 1HG1 VAL 23 1.737 3.983 2.713 182 HG12 VAL 23 2HG1 VAL 23 1.970 4.628 4.348 183 HG13 VAL 23 3HG1 VAL 23 3.374 4.386 3.283 184 HG21 VAL 23 3HG2 VAL 23 2.207 1.717 2.117 185 HG22 VAL 23 1HG2 VAL 23 3.938 1.953 2.488 186 HG23 VAL 23 2HG2 VAL 23 3.059 0.572 3.180 187 H GLU 24 H GLU 24 1.930 2.049 7.244 188 HA GLU 24 HA GLU 24 1.571 4.613 8.584 189 HB2 GLU 24 1HB GLU 24 0.222 2.528 8.931 190 HB3 GLU 24 2HB GLU 24 1.649 1.682 9.473 191 HG2 GLU 24 1HG GLU 24 1.564 3.540 11.499 192 HG3 GLU 24 2HG GLU 24 -0.126 3.586 11.020 193 H GLN 25 H GLN 25 3.938 2.072 9.287 194 HA GLN 25 HA GLN 25 5.400 3.833 11.250 195 HB2 GLN 25 1HB GLN 25 5.697 0.874 10.451 196 HB3 GLN 25 2HB GLN 25 6.673 1.638 11.707 197 HG2 GLN 25 1HG GLN 25 4.765 2.092 13.143 198 HG3 GLN 25 2HG GLN 25 3.609 1.772 11.869 199 HE21 GLN 25 1HE2 GLN 25 2.522 0.329 13.124 200 HE22 GLN 25 2HE2 GLN 25 3.219 -1.357 13.420 201 H LEU 26 H LEU 26 6.092 3.254 7.901 202 HA LEU 26 HA LEU 26 8.907 3.420 7.987 203 HG LEU 26 HG LEU 26 5.965 4.380 5.784 204 HB2 LEU 26 1HB LEU 26 9.020 4.009 5.712 205 HB3 LEU 26 2HB LEU 26 7.885 2.739 6.089 206 HD11 LEU 26 1HD1 LEU 26 8.086 6.168 4.430 207 HD12 LEU 26 2HD1 LEU 26 6.317 6.384 4.376 208 HD13 LEU 26 3HD1 LEU 26 7.169 6.595 5.890 209 HD21 LEU 26 3HD2 LEU 26 7.820 3.849 3.365 210 HD22 LEU 26 1HD2 LEU 26 6.672 2.675 4.059 211 HD23 LEU 26 2HD2 LEU 26 6.065 4.150 3.295 212 H GLN 27 H GLN 27 6.924 6.165 8.553 213 HA GLN 27 HA GLN 27 7.409 8.495 8.705 214 HB2 GLN 27 1HB GLN 27 7.726 7.264 10.861 215 HB3 GLN 27 2HB GLN 27 9.457 7.263 10.600 216 HG2 GLN 27 1HG GLN 27 8.880 9.012 12.156 217 HG3 GLN 27 2HG GLN 27 9.507 9.788 10.726 218 HE21 GLN 27 1HE2 GLN 27 8.120 11.261 9.662 219 HE22 GLN 27 2HE2 GLN 27 6.419 11.580 10.289 220 H VAL 28 H VAL 28 8.340 8.177 6.397 221 HA VAL 28 HA VAL 28 11.060 9.556 6.192 222 HB VAL 28 HB VAL 28 9.275 8.284 4.013 223 HG11 VAL 28 1HG1 VAL 28 10.704 10.054 2.977 224 HG12 VAL 28 2HG1 VAL 28 12.154 9.433 3.797 225 HG13 VAL 28 3HG1 VAL 28 11.337 8.468 2.538 226 HG21 VAL 28 3HG2 VAL 28 11.060 6.507 3.888 227 HG22 VAL 28 1HG2 VAL 28 11.906 7.223 5.281 228 HG23 VAL 28 2HG2 VAL 28 10.287 6.505 5.472 229 H GLY 29 H GLY 29 11.165 11.649 5.805 230 HA2 GLY 29 1HA GLY 29 8.817 13.242 4.623 231 HA3 GLY 29 2HA GLY 29 9.727 13.883 5.966 232 H GLN 30 H GLN 30 10.319 12.429 2.823 233 HA GLN 30 HA GLN 30 12.618 14.400 2.321 234 HB2 GLN 30 1HB GLN 30 13.205 12.025 2.931 235 HB3 GLN 30 2HB GLN 30 12.357 11.433 1.511 236 HG2 GLN 30 1HG GLN 30 14.698 11.430 1.006 237 HG3 GLN 30 2HG GLN 30 13.966 12.655 0.005 238 HE21 GLN 30 1HE2 GLN 30 16.098 12.143 2.759 239 HE22 GLN 30 2HE2 GLN 30 16.753 13.865 2.696 240 H SER 31 H SER 31 10.320 12.400 0.348 241 HA SER 31 HA SER 31 10.007 14.638 -1.602 242 HG SER 31 HG SER 31 12.367 14.553 -1.464 243 HB2 SER 31 1HB SER 31 11.753 12.214 -2.415 244 HB3 SER 31 2HB SER 31 11.032 13.339 -3.576 245 H LYS 32 H LYS 32 8.530 14.293 -3.201 246 HA LYS 32 HA LYS 32 6.459 12.188 -2.679 247 HB2 LYS 32 1HB LYS 32 4.930 13.275 -3.887 248 HB3 LYS 32 2HB LYS 32 5.809 14.553 -3.079 249 HG2 LYS 32 1HG LYS 32 7.016 14.967 -5.381 250 HG3 LYS 32 2HG LYS 32 5.931 13.765 -6.048 251 HD2 LYS 32 1HD LYS 32 4.755 15.721 -6.514 252 HD3 LYS 32 2HD LYS 32 3.931 15.139 -5.096 253 HE2 LYS 32 1HE LYS 32 4.175 17.472 -4.713 254 HE3 LYS 32 2HE LYS 32 5.428 16.783 -3.694 255 HZ1 LYS 32 3HZ LYS 32 7.147 17.293 -5.480 256 HZ2 LYS 32 1HZ LYS 32 5.938 17.865 -6.495 257 HZ3 LYS 32 2HZ LYS 32 6.301 18.633 -5.046 258 H GLN 33 H GLN 33 8.701 13.043 -5.274 259 HA GLN 33 HA GLN 33 7.901 10.816 -7.045 260 HB2 GLN 33 1HB GLN 33 9.959 11.282 -8.358 261 HB3 GLN 33 2HB GLN 33 8.880 12.629 -8.130 262 HG2 GLN 33 1HG GLN 33 11.026 13.517 -8.035 263 HG3 GLN 33 2HG GLN 33 10.370 13.658 -6.425 264 HE21 GLN 33 1HE2 GLN 33 12.436 13.936 -5.587 265 HE22 GLN 33 2HE2 GLN 33 13.671 12.572 -5.573 266 H GLN 34 H GLN 34 10.127 10.816 -4.381 267 HA GLN 34 HA GLN 34 11.134 8.049 -5.023 268 HB2 GLN 34 1HB GLN 34 11.269 9.643 -2.382 269 HB3 GLN 34 2HB GLN 34 11.982 8.056 -2.620 270 HG2 GLN 34 1HG GLN 34 12.787 10.599 -4.183 271 HG3 GLN 34 2HG GLN 34 13.598 9.962 -2.779 272 HE21 GLN 34 1HE2 GLN 34 13.314 9.674 -6.202 273 HE22 GLN 34 2HE2 GLN 34 14.545 8.300 -6.316 274 H VAL 35 H VAL 35 8.705 9.288 -2.641 275 HA VAL 35 HA VAL 35 7.929 6.523 -1.890 276 HB VAL 35 HB VAL 35 7.814 8.484 -0.343 277 HG11 VAL 35 1HG1 VAL 35 6.618 10.163 -1.823 278 HG12 VAL 35 2HG1 VAL 35 5.136 9.215 -1.708 279 HG13 VAL 35 3HG1 VAL 35 5.846 9.944 -0.242 280 HG21 VAL 35 3HG2 VAL 35 6.714 6.318 0.210 281 HG22 VAL 35 1HG2 VAL 35 5.816 7.703 0.875 282 HG23 VAL 35 2HG2 VAL 35 5.213 6.862 -0.572 283 H SER 36 H SER 36 6.573 8.824 -4.239 284 HA SER 36 HA SER 36 4.295 7.022 -4.952 285 HG SER 36 HG SER 36 3.445 9.321 -7.502 286 HB2 SER 36 1HB SER 36 4.458 9.634 -5.251 287 HB3 SER 36 2HB SER 36 5.458 9.317 -6.674 288 H ALA 37 H ALA 37 7.595 7.419 -6.315 289 HA ALA 37 HA ALA 37 7.191 5.466 -8.508 290 HB1 ALA 37 3HB ALA 37 9.703 5.414 -8.584 291 HB2 ALA 37 1HB ALA 37 9.102 7.079 -8.508 292 HB3 ALA 37 2HB ALA 37 9.785 6.321 -7.053 293 H LEU 38 H LEU 38 8.363 5.054 -5.148 294 HA LEU 38 HA LEU 38 8.713 2.110 -5.394 295 HG LEU 38 HG LEU 38 10.537 1.722 -3.755 296 HB2 LEU 38 1HB LEU 38 8.658 4.081 -3.042 297 HB3 LEU 38 2HB LEU 38 8.406 2.386 -2.700 298 HD11 LEU 38 1HD1 LEU 38 10.945 3.639 -5.365 299 HD12 LEU 38 2HD1 LEU 38 11.154 4.752 -3.999 300 HD13 LEU 38 3HD1 LEU 38 12.301 3.420 -4.252 301 HD21 LEU 38 3HD2 LEU 38 11.963 2.625 -1.892 302 HD22 LEU 38 1HD2 LEU 38 10.761 3.895 -1.559 303 HD23 LEU 38 2HD2 LEU 38 10.355 2.182 -1.293 304 H LEU 39 H LEU 39 5.982 3.999 -4.030 305 HA LEU 39 HA LEU 39 4.232 1.625 -3.669 306 HG LEU 39 HG LEU 39 4.849 3.722 -1.738 307 HB2 LEU 39 1HB LEU 39 3.757 4.649 -3.925 308 HB3 LEU 39 2HB LEU 39 2.420 3.562 -3.645 309 HD11 LEU 39 1HD1 LEU 39 3.636 5.918 -1.847 310 HD12 LEU 39 2HD1 LEU 39 2.091 5.111 -1.519 311 HD13 LEU 39 3HD1 LEU 39 3.364 5.122 -0.279 312 HD21 LEU 39 3HD2 LEU 39 3.305 1.574 -1.663 313 HD22 LEU 39 1HD2 LEU 39 3.445 2.435 -0.141 314 HD23 LEU 39 2HD2 LEU 39 2.014 2.663 -1.129 315 H GLY 40 H GLY 40 4.751 3.674 -6.421 316 HA2 GLY 40 1HA GLY 40 4.518 2.669 -8.716 317 HA3 GLY 40 2HA GLY 40 3.199 1.664 -8.163 318 H THR 41 H THR 41 4.025 5.106 -8.469 319 HA THR 41 HA THR 41 1.581 5.814 -10.065 320 HB THR 41 HB THR 41 2.007 6.733 -7.134 321 HG1 THR 41 HG1 THR 41 0.840 4.701 -8.114 322 HG21 THR 41 3HG2 THR 41 -0.324 7.568 -8.991 323 HG22 THR 41 1HG2 THR 41 -0.124 7.957 -7.283 324 HG23 THR 41 2HG2 THR 41 0.979 8.666 -8.461 325 HA PRO 42 HA PRO 42 4.666 9.068 -11.205 326 HB2 PRO 42 1HB PRO 42 3.036 10.928 -12.517 327 HB3 PRO 42 2HB PRO 42 3.479 9.338 -13.172 328 HG2 PRO 42 1HG PRO 42 0.911 10.049 -11.618 329 HG3 PRO 42 2HG PRO 42 1.017 9.284 -13.228 330 HD2 PRO 42 1HD PRO 42 0.712 7.742 -10.976 331 HD3 PRO 42 2HD PRO 42 1.815 7.173 -12.257 332 H SER 43 H SER 43 4.974 11.490 -11.039 333 HA SER 43 HA SER 43 4.255 12.455 -8.264 334 HG SER 43 HG SER 43 6.535 14.092 -10.591 335 HB2 SER 43 1HB SER 43 6.458 13.556 -8.352 336 HB3 SER 43 2HB SER 43 6.616 11.866 -8.797 337 H ILE 44 H ILE 44 4.821 14.867 -8.276 338 HA ILE 44 HA ILE 44 3.031 16.422 -10.235 339 HB ILE 44 HB ILE 44 3.002 17.008 -7.213 340 HG12 ILE 44 1HG1 ILE 44 0.671 15.870 -8.892 341 HG13 ILE 44 2HG1 ILE 44 1.698 14.861 -7.891 342 HG21 ILE 44 1HG2 ILE 44 2.691 19.041 -8.712 343 HG22 ILE 44 2HG2 ILE 44 1.346 18.218 -9.540 344 HG23 ILE 44 3HG2 ILE 44 1.219 18.660 -7.822 345 HD11 ILE 44 3HD1 ILE 44 -0.076 17.133 -6.798 346 HD12 ILE 44 1HD1 ILE 44 -0.297 15.391 -6.606 347 HD13 ILE 44 2HD1 ILE 44 1.075 16.195 -5.824 348 HA PRO 45 HA PRO 45 7.230 18.460 -9.719 349 HB2 PRO 45 1HB PRO 45 8.123 18.458 -12.292 350 HB3 PRO 45 2HB PRO 45 7.920 16.944 -11.381 351 HG2 PRO 45 1HG PRO 45 5.915 18.198 -13.373 352 HG3 PRO 45 2HG PRO 45 6.573 16.539 -13.425 353 HD2 PRO 45 1HD PRO 45 4.123 17.142 -12.193 354 HD3 PRO 45 2HD PRO 45 5.178 15.824 -11.616 355 H ASP 46 H ASP 46 5.642 20.176 -9.041 356 HA ASP 46 HA ASP 46 5.860 22.590 -10.916 357 HB2 ASP 46 1HB ASP 46 3.532 22.103 -10.466 358 HB3 ASP 46 2HB ASP 46 3.769 22.132 -8.728 359 HA PRO 47 HA PRO 47 8.531 24.164 -7.388 360 HB2 PRO 47 1HB PRO 47 9.652 26.324 -8.667 361 HB3 PRO 47 2HB PRO 47 10.125 24.650 -9.032 362 HG2 PRO 47 1HG PRO 47 8.097 26.383 -10.581 363 HG3 PRO 47 2HG PRO 47 9.490 25.497 -11.257 364 HD2 PRO 47 1HD PRO 47 6.886 24.465 -11.201 365 HD3 PRO 47 2HD PRO 47 8.312 23.383 -11.108 366 H PHE 48 H PHE 48 5.677 25.577 -8.832 367 HA PHE 48 HA PHE 48 5.704 28.013 -7.039 368 HD1 PHE 48 HD1 PHE 48 2.820 28.762 -6.356 369 HD2 PHE 48 HD2 PHE 48 4.214 29.895 -10.273 370 HE1 PHE 48 HE1 PHE 48 1.820 30.985 -6.075 371 HE2 PHE 48 HE2 PHE 48 3.221 32.118 -9.972 372 HZ PHE 48 HZ PHE 48 2.019 32.676 -7.877 373 HB2 PHE 48 1HB PHE 48 4.828 27.797 -9.496 374 HB3 PHE 48 2HB PHE 48 3.422 27.028 -8.845 375 H HIS 49 H HIS 49 3.235 25.354 -7.378 376 HA HIS 49 HA HIS 49 3.574 24.727 -4.509 377 HD1 HIS 49 HD1 HIS 49 2.926 24.884 -2.036 378 HD2 HIS 49 HD2 HIS 49 -0.866 24.366 -3.913 379 HE1 HIS 49 HE1 HIS 49 1.410 23.451 -0.565 380 HB2 HIS 49 1HB HIS 49 2.063 26.691 -4.286 381 HB3 HIS 49 2HB HIS 49 0.835 25.892 -5.264 382 H ALA 50 H ALA 50 4.216 22.825 -5.499 383 HA ALA 50 HA ALA 50 2.302 21.017 -6.870 384 HB1 ALA 50 3HB ALA 50 4.714 20.856 -7.227 385 HB2 ALA 50 1HB ALA 50 5.017 20.541 -5.518 386 HB3 ALA 50 2HB ALA 50 4.116 19.365 -6.508 387 H GLN 51 H GLN 51 0.577 20.550 -5.780 388 HA GLN 51 HA GLN 51 0.206 20.515 -2.938 389 HB2 GLN 51 1HB GLN 51 -1.526 19.428 -5.267 390 HB3 GLN 51 2HB GLN 51 -2.149 19.599 -3.655 391 HG2 GLN 51 1HG GLN 51 -1.793 22.029 -3.601 392 HG3 GLN 51 2HG GLN 51 -1.044 22.037 -5.180 393 HE21 GLN 51 1HE2 GLN 51 -2.409 22.174 -6.946 394 HE22 GLN 51 2HE2 GLN 51 -4.242 22.134 -6.778 395 H ARG 52 H ARG 52 -1.374 18.642 -2.108 396 HA ARG 52 HA ARG 52 0.111 16.239 -1.372 397 HE ARG 52 HE ARG 52 -3.768 19.320 0.008 398 HB2 ARG 52 1HB ARG 52 -1.859 15.658 -0.164 399 HB3 ARG 52 2HB ARG 52 -1.788 17.370 -0.114 400 HG2 ARG 52 1HG ARG 52 -3.453 16.804 -2.415 401 HG3 ARG 52 2HG ARG 52 -3.723 15.465 -1.355 402 HD2 ARG 52 1HD ARG 52 -5.468 17.047 -0.935 403 HD3 ARG 52 2HD ARG 52 -4.460 17.043 0.471 404 HH11 ARG 52 2HH2 ARG 52 -5.495 18.085 -2.885 405 HH12 ARG 52 1HH2 ARG 52 -5.259 19.741 -3.647 406 HH21 ARG 52 2HH1 ARG 52 -3.724 21.148 -0.961 407 HH22 ARG 52 1HH1 ARG 52 -4.341 21.277 -2.681 408 H TRP 53 H TRP 53 -0.525 14.079 -1.900 409 HA TRP 53 HA TRP 53 -1.505 13.558 -4.781 410 HD1 TRP 53 HD1 TRP 53 -2.686 10.604 -4.971 411 HE1 TRP 53 HE1 TRP 53 -2.423 8.020 -5.191 412 HE3 TRP 53 HE3 TRP 53 2.140 10.361 -3.248 413 HZ2 TRP 53 HZ2 TRP 53 -0.253 6.206 -4.706 414 HZ3 TRP 53 HZ3 TRP 53 3.204 8.132 -3.042 415 HH2 TRP 53 HH2 TRP 53 2.029 6.106 -3.744 416 HB2 TRP 53 1HB TRP 53 0.551 12.481 -4.400 417 HB3 TRP 53 2HB TRP 53 0.119 11.970 -2.773 418 H ASP 54 H ASP 54 -3.668 14.212 -4.254 419 HA ASP 54 HA ASP 54 -5.240 12.411 -2.415 420 HB2 ASP 54 1HB ASP 54 -7.036 14.136 -2.838 421 HB3 ASP 54 2HB ASP 54 -5.641 14.565 -1.901 422 H TYR 55 H TYR 55 -4.535 10.797 -4.285 423 HA TYR 55 HA TYR 55 -6.821 10.583 -6.309 424 HD1 TYR 55 HD2 TYR 55 -6.649 12.278 -8.163 425 HD2 TYR 55 HD1 TYR 55 -2.552 12.048 -6.842 426 HE1 TYR 55 HE2 TYR 55 -6.516 14.724 -8.093 427 HE2 TYR 55 HE1 TYR 55 -2.454 14.499 -6.787 428 HH TYR 55 HH TYR 55 -4.797 15.982 -6.088 429 HB2 TYR 55 1HB TYR 55 -3.835 10.023 -6.887 430 HB3 TYR 55 2HB TYR 55 -5.159 9.943 -8.027 431 H THR 56 H THR 56 -7.656 8.678 -6.717 432 HA THR 56 HA THR 56 -6.802 6.194 -5.309 433 HB THR 56 HB THR 56 -8.995 6.627 -7.411 434 HG1 THR 56 HG1 THR 56 -9.544 6.104 -4.774 435 HG21 THR 56 3HG2 THR 56 -10.013 4.552 -6.467 436 HG22 THR 56 1HG2 THR 56 -8.445 4.174 -7.196 437 HG23 THR 56 2HG2 THR 56 -8.591 4.263 -5.436 438 H SER 57 H SER 57 -4.687 5.858 -6.096 439 HA SER 57 HA SER 57 -4.203 5.066 -8.912 440 HG SER 57 HG SER 57 -3.038 4.235 -5.623 441 HB2 SER 57 1HB SER 57 -2.012 4.466 -8.273 442 HB3 SER 57 2HB SER 57 -2.415 5.931 -7.400 443 H THR 58 H THR 58 -4.215 3.062 -9.829 444 HA THR 58 HA THR 58 -4.850 0.619 -8.210 445 HB THR 58 HB THR 58 -7.042 1.639 -8.388 446 HG1 THR 58 HG1 THR 58 -6.584 -0.704 -8.519 447 HG21 THR 58 3HG2 THR 58 -6.960 1.216 -11.446 448 HG22 THR 58 1HG2 THR 58 -8.351 1.737 -10.465 449 HG23 THR 58 2HG2 THR 58 -6.936 2.794 -10.635 450 H GLN 59 H GLN 59 -4.345 -1.215 -9.092 451 HA GLN 59 HA GLN 59 -3.155 -1.257 -11.925 452 HB2 GLN 59 1HB GLN 59 -1.441 -2.784 -11.326 453 HB3 GLN 59 2HB GLN 59 -1.329 -1.262 -10.470 454 HG2 GLN 59 1HG GLN 59 -2.313 -2.444 -8.378 455 HG3 GLN 59 2HG GLN 59 -2.232 -3.963 -9.248 456 HE21 GLN 59 1HE2 GLN 59 -0.129 -4.881 -9.568 457 HE22 GLN 59 2HE2 GLN 59 1.328 -4.164 -8.699 458 H ARG 60 H ARG 60 -4.624 -2.190 -13.100 459 HA ARG 60 HA ARG 60 -6.197 -4.615 -12.042 460 HE ARG 60 HE ARG 60 -10.802 -2.894 -11.625 461 HB2 ARG 60 1HB ARG 60 -7.331 -2.395 -13.846 462 HB3 ARG 60 2HB ARG 60 -8.188 -3.763 -13.145 463 HG2 ARG 60 1HG ARG 60 -7.554 -2.766 -10.783 464 HG3 ARG 60 2HG ARG 60 -6.946 -1.376 -11.643 465 HD2 ARG 60 1HD ARG 60 -9.031 -0.518 -11.286 466 HD3 ARG 60 2HD ARG 60 -9.393 -1.307 -12.792 467 HH11 ARG 60 2HH2 ARG 60 -8.819 -1.232 -9.275 468 HH12 ARG 60 1HH2 ARG 60 -9.768 -1.958 -7.888 469 HH21 ARG 60 2HH1 ARG 60 -11.846 -3.676 -10.008 470 HH22 ARG 60 1HH1 ARG 60 -11.404 -3.223 -8.304 471 H VAL 61 H VAL 61 -5.025 -6.158 -13.069 472 HA VAL 61 HA VAL 61 -4.198 -5.912 -15.841 473 HB VAL 61 HB VAL 61 -2.848 -6.902 -14.101 474 HG11 VAL 61 1HG1 VAL 61 -4.497 -9.514 -14.264 475 HG12 VAL 61 2HG1 VAL 61 -3.010 -9.219 -13.346 476 HG13 VAL 61 3HG1 VAL 61 -4.508 -8.402 -12.876 477 HG21 VAL 61 3HG2 VAL 61 -1.802 -8.657 -15.485 478 HG22 VAL 61 1HG2 VAL 61 -3.263 -8.803 -16.493 479 HG23 VAL 61 2HG2 VAL 61 -2.326 -7.291 -16.488 480 H ASP 62 H ASP 62 -6.421 -8.358 -14.530 481 HA ASP 62 HA ASP 62 -7.738 -8.636 -17.285 482 HB2 ASP 62 1HB ASP 62 -5.689 -10.159 -16.808 483 HB3 ASP 62 2HB ASP 62 -6.593 -10.907 -15.508 484 H ARG 63 H ARG 63 -9.394 -10.512 -17.011 485 HA ARG 63 HA ARG 63 -11.510 -9.611 -14.974 486 HE ARG 63 HE ARG 63 -16.070 -11.384 -16.107 487 HB2 ARG 63 1HB ARG 63 -12.009 -9.922 -17.437 488 HB3 ARG 63 2HB ARG 63 -11.695 -11.652 -17.267 489 HG2 ARG 63 1HG ARG 63 -13.619 -11.782 -15.569 490 HG3 ARG 63 2HG ARG 63 -13.899 -10.046 -15.786 491 HD2 ARG 63 1HD ARG 63 -14.342 -10.427 -18.260 492 HD3 ARG 63 2HD ARG 63 -14.027 -12.171 -18.041 493 HH11 ARG 63 2HH2 ARG 63 -15.760 -11.790 -19.543 494 HH12 ARG 63 1HH2 ARG 63 -17.540 -12.165 -19.738 495 HH21 ARG 63 2HH1 ARG 63 -18.081 -11.808 -16.356 496 HH22 ARG 63 1HH1 ARG 63 -18.774 -12.168 -17.997 497 H LEU 64 H LEU 64 -9.637 -10.495 -13.593 498 HA LEU 64 HA LEU 64 -10.290 -13.275 -12.498 499 HG LEU 64 HG LEU 64 -8.166 -12.764 -15.012 500 HB2 LEU 64 1HB LEU 64 -7.537 -11.853 -12.771 501 HB3 LEU 64 2HB LEU 64 -7.770 -13.429 -12.033 502 HD11 LEU 64 1HD1 LEU 64 -6.136 -14.134 -15.329 503 HD12 LEU 64 2HD1 LEU 64 -5.775 -12.808 -14.221 504 HD13 LEU 64 3HD1 LEU 64 -6.002 -14.455 -13.581 505 HD21 LEU 64 3HD2 LEU 64 -8.436 -15.221 -15.351 506 HD22 LEU 64 1HD2 LEU 64 -8.447 -15.502 -13.589 507 HD23 LEU 64 2HD2 LEU 64 -9.747 -14.555 -14.364 508 H ALA 65 H ALA 65 -9.293 -13.571 -10.270 509 HA ALA 65 HA ALA 65 -10.024 -11.318 -8.410 510 HB1 ALA 65 3HB ALA 65 -10.572 -13.679 -7.871 511 HB2 ALA 65 1HB ALA 65 -8.837 -14.105 -7.821 512 HB3 ALA 65 2HB ALA 65 -9.513 -12.966 -6.641 513 H ARG 66 H ARG 66 -8.191 -10.253 -9.886 514 HA ARG 66 HA ARG 66 -6.299 -9.313 -7.803 515 HE ARG 66 HE ARG 66 -4.709 -8.807 -6.315 516 HB2 ARG 66 1HB ARG 66 -5.065 -11.311 -9.057 517 HB3 ARG 66 2HB ARG 66 -4.946 -10.228 -10.422 518 HG2 ARG 66 1HG ARG 66 -2.897 -9.872 -9.431 519 HG3 ARG 66 2HG ARG 66 -3.750 -8.531 -8.706 520 HD2 ARG 66 1HD ARG 66 -3.262 -11.306 -7.407 521 HD3 ARG 66 2HD ARG 66 -2.277 -9.865 -7.119 522 HH11 ARG 66 2HH2 ARG 66 -3.199 -11.770 -5.350 523 HH12 ARG 66 1HH2 ARG 66 -4.310 -11.871 -3.870 524 HH21 ARG 66 2HH1 ARG 66 -5.835 -8.943 -4.804 525 HH22 ARG 66 1HH1 ARG 66 -5.852 -10.410 -3.638 526 H THR 67 H THR 67 -8.135 -7.830 -8.421 527 HA THR 67 HA THR 67 -7.133 -5.727 -10.421 528 HB THR 67 HB THR 67 -9.422 -5.021 -10.744 529 HG1 THR 67 HG1 THR 67 -10.019 -5.994 -8.600 530 HG21 THR 67 3HG2 THR 67 -9.282 -8.043 -11.285 531 HG22 THR 67 1HG2 THR 67 -10.371 -6.881 -12.054 532 HG23 THR 67 2HG2 THR 67 -8.621 -6.783 -12.343 533 H GLU 68 H GLU 68 -6.025 -4.444 -9.071 534 HA GLU 68 HA GLU 68 -6.763 -4.440 -6.230 535 HB2 GLU 68 1HB GLU 68 -4.204 -3.809 -7.813 536 HB3 GLU 68 2HB GLU 68 -4.293 -3.812 -6.073 537 HG2 GLU 68 1HG GLU 68 -4.920 -6.277 -7.832 538 HG3 GLU 68 2HG GLU 68 -3.384 -5.964 -7.078 539 H ILE 69 H ILE 69 -7.634 -2.811 -5.258 540 HA ILE 69 HA ILE 69 -7.478 0.050 -6.187 541 HB ILE 69 HB ILE 69 -8.811 -1.060 -3.618 542 HG12 ILE 69 1HG1 ILE 69 -11.012 -0.513 -4.917 543 HG13 ILE 69 2HG1 ILE 69 -10.085 -0.539 -6.399 544 HG21 ILE 69 1HG2 ILE 69 -8.353 1.437 -3.564 545 HG22 ILE 69 2HG2 ILE 69 -9.259 1.643 -5.084 546 HG23 ILE 69 3HG2 ILE 69 -10.062 1.060 -3.598 547 HD11 ILE 69 3HD1 ILE 69 -10.382 -2.884 -4.371 548 HD12 ILE 69 1HD1 ILE 69 -11.363 -2.683 -5.826 549 HD13 ILE 69 2HD1 ILE 69 -9.637 -3.056 -5.966 550 H LYS 70 H LYS 70 -5.928 1.448 -5.474 551 HA LYS 70 HA LYS 70 -4.914 1.244 -2.647 552 HB2 LYS 70 1HB LYS 70 -2.556 1.469 -3.237 553 HB3 LYS 70 2HB LYS 70 -3.294 -0.097 -3.539 554 HG2 LYS 70 1HG LYS 70 -3.352 0.333 -6.001 555 HG3 LYS 70 2HG LYS 70 -2.761 1.956 -5.756 556 HD2 LYS 70 1HD LYS 70 -0.660 0.765 -4.540 557 HD3 LYS 70 2HD LYS 70 -1.299 -0.700 -5.254 558 HE2 LYS 70 1HE LYS 70 0.333 0.023 -6.820 559 HE3 LYS 70 2HE LYS 70 -1.189 0.469 -7.589 560 HZ1 LYS 70 3HZ LYS 70 0.688 2.270 -6.054 561 HZ2 LYS 70 1HZ LYS 70 0.342 2.427 -7.637 562 HZ3 LYS 70 2HZ LYS 70 -0.812 2.815 -6.509 563 H ASN 71 H ASN 71 -6.290 2.936 -2.402 564 HA ASN 71 HA ASN 71 -5.536 5.638 -3.474 565 HB2 ASN 71 1HB ASN 71 -7.546 6.484 -2.393 566 HB3 ASN 71 2HB ASN 71 -7.858 5.189 -3.510 567 HD21 ASN 71 1HD2 ASN 71 -7.992 6.048 -0.151 568 HD22 ASN 71 2HD2 ASN 71 -8.771 4.476 0.348 569 H PHE 72 H PHE 72 -4.253 6.782 -2.497 570 HA PHE 72 HA PHE 72 -3.757 6.735 0.551 571 HD1 PHE 72 HD2 PHE 72 -1.990 6.068 1.965 572 HD2 PHE 72 HD1 PHE 72 0.499 7.441 -1.263 573 HE1 PHE 72 HE2 PHE 72 -0.068 6.195 3.488 574 HE2 PHE 72 HE1 PHE 72 2.401 7.606 0.274 575 HZ PHE 72 HZ PHE 72 2.125 6.995 2.670 576 HB2 PHE 72 1HB PHE 72 -2.104 5.423 -0.945 577 HB3 PHE 72 2HB PHE 72 -1.714 6.893 -1.787 578 H THR 73 H THR 73 -4.390 8.733 1.287 579 HA THR 73 HA THR 73 -4.000 11.185 -0.484 580 HB THR 73 HB THR 73 -5.596 10.998 2.105 581 HG1 THR 73 HG1 THR 73 -6.454 11.286 -0.572 582 HG21 THR 73 3HG2 THR 73 -6.556 13.196 1.273 583 HG22 THR 73 1HG2 THR 73 -4.837 13.356 1.662 584 HG23 THR 73 2HG2 THR 73 -5.338 13.255 -0.031 585 H VAL 74 H VAL 74 -1.889 11.613 -0.354 586 HA VAL 74 HA VAL 74 -0.579 11.911 2.401 587 HB VAL 74 HB VAL 74 0.232 9.956 1.459 588 HG11 VAL 74 1HG1 VAL 74 1.639 9.832 -0.626 589 HG12 VAL 74 2HG1 VAL 74 -0.049 10.223 -1.010 590 HG13 VAL 74 3HG1 VAL 74 1.192 11.499 -1.026 591 HG21 VAL 74 3HG2 VAL 74 1.942 11.566 2.640 592 HG22 VAL 74 1HG2 VAL 74 2.654 10.314 1.593 593 HG23 VAL 74 2HG2 VAL 74 2.504 12.002 1.038 594 H PHE 75 H PHE 75 0.450 13.622 2.907 595 HA PHE 75 HA PHE 75 -0.102 16.067 1.197 596 HD1 PHE 75 HD1 PHE 75 -1.686 14.011 4.214 597 HD2 PHE 75 HD2 PHE 75 -2.009 17.960 2.531 598 HE1 PHE 75 HE1 PHE 75 -4.124 13.857 4.339 599 HE2 PHE 75 HE2 PHE 75 -4.458 17.803 2.672 600 HZ PHE 75 HZ PHE 75 -5.533 15.756 3.582 601 HB2 PHE 75 1HB PHE 75 0.333 15.642 4.227 602 HB3 PHE 75 2HB PHE 75 0.151 17.218 3.500 603 H PHE 76 H PHE 76 1.405 17.304 0.407 604 HA PHE 76 HA PHE 76 4.314 17.115 1.342 605 HD1 PHE 76 HD1 PHE 76 5.614 15.002 0.123 606 HD2 PHE 76 HD2 PHE 76 2.219 15.777 -2.401 607 HE1 PHE 76 HE1 PHE 76 5.285 12.552 -0.250 608 HE2 PHE 76 HE2 PHE 76 1.955 13.381 -2.786 609 HZ PHE 76 HZ PHE 76 3.483 11.756 -1.683 610 HB2 PHE 76 1HB PHE 76 3.423 17.649 -1.560 611 HB3 PHE 76 2HB PHE 76 5.056 17.419 -0.966 612 H GLU 77 H GLU 77 5.432 19.098 1.469 613 HA GLU 77 HA GLU 77 3.681 21.511 1.714 614 HB2 GLU 77 1HB GLU 77 5.131 22.511 2.979 615 HB3 GLU 77 2HB GLU 77 5.625 20.879 3.293 616 HG2 GLU 77 1HG GLU 77 7.083 22.977 1.557 617 HG3 GLU 77 2HG GLU 77 7.463 22.499 3.184 618 H ASN 78 H ASN 78 6.607 21.117 -0.063 619 HA ASN 78 HA ASN 78 5.053 21.578 -2.612 620 HB2 ASN 78 1HB ASN 78 6.490 23.690 -2.204 621 HB3 ASN 78 2HB ASN 78 7.932 22.711 -2.387 622 HD21 ASN 78 1HD2 ASN 78 8.411 21.990 -4.582 623 HD22 ASN 78 2HD2 ASN 78 7.384 22.608 -5.988 624 H GLU 79 H GLU 79 7.766 19.973 -0.942 625 HA GLU 79 HA GLU 79 7.481 17.704 -2.902 626 HB2 GLU 79 1HB GLU 79 9.329 19.148 -3.806 627 HB3 GLU 79 2HB GLU 79 10.250 18.911 -2.330 628 HG2 GLU 79 1HG GLU 79 11.083 17.489 -4.134 629 HG3 GLU 79 2HG GLU 79 10.524 16.495 -2.816 630 H GLN 80 H GLN 80 8.603 18.697 0.379 631 HA GLN 80 HA GLN 80 9.411 15.828 0.907 632 HB2 GLN 80 1HB GLN 80 10.641 16.420 2.698 633 HB3 GLN 80 2HB GLN 80 10.871 17.789 1.651 634 HG2 GLN 80 1HG GLN 80 8.935 18.944 3.109 635 HG3 GLN 80 2HG GLN 80 9.139 17.600 4.200 636 HE21 GLN 80 1HE2 GLN 80 10.469 20.566 3.131 637 HE22 GLN 80 2HE2 GLN 80 11.891 20.542 4.332 638 H VAL 81 H VAL 81 8.540 14.623 2.624 639 HA VAL 81 HA VAL 81 5.570 14.867 2.403 640 HB VAL 81 HB VAL 81 6.840 12.496 3.875 641 HG11 VAL 81 1HG1 VAL 81 4.382 12.653 3.787 642 HG12 VAL 81 2HG1 VAL 81 4.403 12.819 2.025 643 HG13 VAL 81 3HG1 VAL 81 4.917 11.291 2.783 644 HG21 VAL 81 3HG2 VAL 81 6.989 11.256 1.621 645 HG22 VAL 81 1HG2 VAL 81 7.070 12.859 0.832 646 HG23 VAL 81 2HG2 VAL 81 8.292 12.379 1.991 647 H VAL 82 H VAL 82 4.252 15.553 3.889 648 HA VAL 82 HA VAL 82 5.204 16.047 6.736 649 HB VAL 82 HB VAL 82 2.606 16.999 5.369 650 HG11 VAL 82 1HG1 VAL 82 2.431 16.958 7.916 651 HG12 VAL 82 2HG1 VAL 82 3.915 17.923 8.031 652 HG13 VAL 82 3HG1 VAL 82 2.453 18.608 7.281 653 HG21 VAL 82 3HG2 VAL 82 4.607 18.097 4.295 654 HG22 VAL 82 1HG2 VAL 82 3.714 19.255 5.286 655 HG23 VAL 82 2HG2 VAL 82 5.240 18.556 5.889 656 H ARG 83 H ARG 83 2.207 14.623 5.318 657 HA ARG 83 HA ARG 83 2.217 12.352 7.196 658 HE ARG 83 HE ARG 83 -2.802 12.987 7.677 659 HB2 ARG 83 1HB ARG 83 0.252 12.838 8.578 660 HB3 ARG 83 2HB ARG 83 1.597 13.897 8.865 661 HG2 ARG 83 1HG ARG 83 -0.162 15.342 9.041 662 HG3 ARG 83 2HG ARG 83 0.432 15.709 7.445 663 HD2 ARG 83 1HD ARG 83 -1.964 15.716 7.264 664 HD3 ARG 83 2HD ARG 83 -1.374 14.330 6.400 665 HH11 ARG 83 2HH2 ARG 83 -2.136 15.826 9.564 666 HH12 ARG 83 1HH2 ARG 83 -3.341 15.330 10.856 667 HH21 ARG 83 2HH1 ARG 83 -4.047 12.391 9.149 668 HH22 ARG 83 1HH1 ARG 83 -4.369 13.461 10.628 669 H TRP 84 H TRP 84 0.158 11.058 7.102 670 HA TRP 84 HA TRP 84 -1.044 11.104 4.351 671 HD1 TRP 84 HD1 TRP 84 0.109 6.829 5.850 672 HE1 TRP 84 HE1 TRP 84 2.312 5.949 7.010 673 HE3 TRP 84 HE3 TRP 84 3.183 10.717 4.545 674 HZ2 TRP 84 HZ2 TRP 84 4.869 6.994 7.439 675 HZ3 TRP 84 HZ3 TRP 84 5.560 10.652 5.286 676 HH2 TRP 84 HH2 TRP 84 6.374 8.859 6.707 677 HB2 TRP 84 1HB TRP 84 -0.215 8.848 3.807 678 HB3 TRP 84 2HB TRP 84 0.981 10.109 3.819 679 H GLU 85 H GLU 85 -2.802 10.186 4.049 680 HA GLU 85 HA GLU 85 -4.134 8.451 6.219 681 HB2 GLU 85 1HB GLU 85 -5.164 10.593 4.286 682 HB3 GLU 85 2HB GLU 85 -6.251 9.320 4.793 683 HG2 GLU 85 1HG GLU 85 -6.518 11.293 6.201 684 HG3 GLU 85 2HG GLU 85 -6.076 9.884 7.142 685 H GLY 86 H GLY 86 -3.806 6.456 5.667 686 HA2 GLY 86 1HA GLY 86 -4.132 5.457 2.764 687 HA3 GLY 86 2HA GLY 86 -3.002 4.815 3.932 688 H ASP 87 H ASP 87 -6.092 4.586 2.695 689 HA ASP 87 HA ASP 87 -6.472 2.027 4.212 690 HB2 ASP 87 1HB ASP 87 -7.899 3.672 5.505 691 HB3 ASP 87 2HB ASP 87 -8.886 3.942 4.069 692 H TYR 88 H TYR 88 -6.322 0.755 2.639 693 HA TYR 88 HA TYR 88 -6.485 1.958 -0.120 694 HD1 TYR 88 HD2 TYR 88 -4.088 0.588 2.993 695 HD2 TYR 88 HD1 TYR 88 -3.335 2.595 -0.739 696 HE1 TYR 88 HE2 TYR 88 -2.232 1.827 4.029 697 HE2 TYR 88 HE1 TYR 88 -1.445 3.771 0.303 698 HH TYR 88 HH TYR 88 -0.376 4.211 2.221 699 HB2 TYR 88 1HB TYR 88 -4.793 -0.420 0.851 700 HB3 TYR 88 2HB TYR 88 -4.615 0.416 -0.653 701 H PHE 89 H PHE 89 -6.694 -1.391 0.989 702 HA PHE 89 HA PHE 89 -9.164 -1.847 -0.705 703 HD1 PHE 89 HD2 PHE 89 -10.230 -4.226 -0.999 704 HD2 PHE 89 HD1 PHE 89 -6.739 -4.460 -3.541 705 HE1 PHE 89 HE2 PHE 89 -11.374 -5.828 -2.446 706 HE2 PHE 89 HE1 PHE 89 -7.916 -6.063 -4.977 707 HZ PHE 89 HZ PHE 89 -10.233 -6.752 -4.445 708 HB2 PHE 89 1HB PHE 89 -7.037 -2.544 -2.012 709 HB3 PHE 89 2HB PHE 89 -6.746 -3.785 -0.823 710 HA PRO 90 HA PRO 90 -8.825 -3.201 3.743 711 HB2 PRO 90 1HB PRO 90 -11.047 -1.995 4.897 712 HB3 PRO 90 2HB PRO 90 -9.622 -1.103 4.341 713 HG2 PRO 90 1HG PRO 90 -12.215 -1.584 2.733 714 HG3 PRO 90 2HG PRO 90 -11.453 -0.013 3.127 715 HD2 PRO 90 1HD PRO 90 -10.897 -1.225 0.706 716 HD3 PRO 90 2HD PRO 90 -9.598 -0.409 1.625 717 H SER 91 H SER 91 -9.605 -5.016 2.047 718 HA SER 91 HA SER 91 -10.395 -7.035 3.966 719 HG SER 91 HG SER 91 -11.938 -8.827 2.171 720 HB2 SER 91 1HB SER 91 -12.761 -6.449 3.504 721 HB3 SER 91 2HB SER 91 -12.527 -6.612 1.757 722 H GLN 92 H GLN 92 -8.140 -6.839 2.735 723 HA GLN 92 HA GLN 92 -8.019 -9.122 0.696 724 HB2 GLN 92 1HB GLN 92 -8.364 -6.916 -0.427 725 HB3 GLN 92 2HB GLN 92 -6.840 -6.319 0.204 726 HG2 GLN 92 1HG GLN 92 -7.141 -8.831 -1.603 727 HG3 GLN 92 2HG GLN 92 -6.952 -7.215 -2.221 728 HE21 GLN 92 1HE2 GLN 92 -5.206 -9.907 -1.530 729 HE22 GLN 92 2HE2 GLN 92 -3.568 -9.066 -1.362 730 H ASP 93 H ASP 93 -7.086 -10.355 2.241 731 HA ASP 93 HA ASP 93 -4.511 -10.533 1.191 732 HB2 ASP 93 1HB ASP 93 -2.927 -11.000 2.818 733 HB3 ASP 93 2HB ASP 93 -3.503 -9.372 2.994 734 H GLU 94 H GLU 94 -4.941 -12.289 0.240 735 HA GLU 94 HA GLU 94 -6.756 -14.338 1.091 736 HB2 GLU 94 1HB GLU 94 -4.690 -14.622 -1.177 737 HB3 GLU 94 2HB GLU 94 -6.180 -15.507 -0.965 738 HG2 GLU 94 1HG GLU 94 -6.771 -14.008 -2.624 739 HG3 GLU 94 2HG GLU 94 -7.450 -13.208 -1.220 740 H GLN 95 H GLN 95 -5.542 -14.569 3.116 741 HA GLN 95 HA GLN 95 -3.534 -16.905 3.173 742 HB2 GLN 95 1HB GLN 95 -3.625 -14.304 4.832 743 HB3 GLN 95 2HB GLN 95 -2.534 -15.654 5.143 744 HG2 GLN 95 1HG GLN 95 -1.459 -15.359 2.884 745 HG3 GLN 95 2HG GLN 95 -2.570 -14.044 2.520 746 HE21 GLN 95 1HE2 GLN 95 -0.667 -12.793 2.198 747 HE22 GLN 95 2HE2 GLN 95 0.182 -12.074 3.669 748 H LEU 96 H LEU 96 -5.333 -18.213 3.518 749 HA LEU 96 HA LEU 96 -7.032 -18.335 5.795 750 HG LEU 96 HG LEU 96 -8.484 -20.362 5.817 751 HB2 LEU 96 1HB LEU 96 -7.041 -19.761 3.723 752 HB3 LEU 96 2HB LEU 96 -5.767 -20.774 4.378 753 HD11 LEU 96 1HD1 LEU 96 -9.262 -22.447 4.666 754 HD12 LEU 96 2HD1 LEU 96 -8.922 -21.174 3.486 755 HD13 LEU 96 3HD1 LEU 96 -7.766 -22.509 3.704 756 HD21 LEU 96 3HD2 LEU 96 -6.744 -21.511 7.256 757 HD22 LEU 96 1HD2 LEU 96 -7.988 -22.657 6.767 758 HD23 LEU 96 2HD2 LEU 96 -6.406 -22.669 5.957 759 H ALA 97 H ALA 97 -6.761 -18.652 7.925 760 HA ALA 97 HA ALA 97 -5.619 -18.351 9.940 761 HB1 ALA 97 3HB ALA 97 -5.684 -20.790 9.750 762 HB2 ALA 97 1HB ALA 97 -4.042 -20.827 9.064 763 HB3 ALA 97 2HB ALA 97 -4.296 -20.246 10.728 764 H LYS 98 H LYS 98 -4.945 -16.411 9.052 765 HA LYS 98 HA LYS 98 -3.179 -15.685 7.355 766 HB2 LYS 98 1HB LYS 98 -4.749 -14.258 8.773 767 HB3 LYS 98 2HB LYS 98 -3.449 -13.962 9.910 768 HG2 LYS 98 1HG LYS 98 -3.239 -13.328 6.891 769 HG3 LYS 98 2HG LYS 98 -4.126 -12.274 7.953 770 HD2 LYS 98 1HD LYS 98 -2.125 -11.736 9.303 771 HD3 LYS 98 2HD LYS 98 -1.176 -12.959 8.481 772 HE2 LYS 98 1HE LYS 98 -1.856 -11.610 6.234 773 HE3 LYS 98 2HE LYS 98 -2.248 -10.303 7.320 774 HZ1 LYS 98 3HZ LYS 98 0.153 -10.409 8.167 775 HZ2 LYS 98 1HZ LYS 98 0.416 -11.775 7.315 776 HZ3 LYS 98 2HZ LYS 98 0.175 -10.346 6.517 777 H ALA 99 H ALA 99 -1.080 -15.162 6.830 778 HA ALA 99 HA ALA 99 1.088 -16.370 8.496 779 HB1 ALA 99 3HB ALA 99 1.228 -14.947 5.772 780 HB2 ALA 99 1HB ALA 99 2.537 -15.846 6.557 781 HB3 ALA 99 2HB ALA 99 1.061 -16.692 6.061 782 H ALA 100 H ALA 100 1.188 -15.161 10.267 783 HA ALA 100 HA ALA 100 2.644 -12.478 10.219 784 HB1 ALA 100 3HB ALA 100 0.884 -11.698 11.960 785 HB2 ALA 100 1HB ALA 100 0.178 -12.016 10.372 786 HB3 ALA 100 2HB ALA 100 -0.009 -13.211 11.675 787 HA PRO 101 HA PRO 101 4.763 -14.399 13.805 788 HB2 PRO 101 1HB PRO 101 5.745 -12.241 15.214 789 HB3 PRO 101 2HB PRO 101 6.275 -12.676 13.578 790 HG2 PRO 101 1HG PRO 101 4.139 -10.579 14.327 791 HG3 PRO 101 2HG PRO 101 5.574 -10.340 13.291 792 HD2 PRO 101 1HD PRO 101 3.090 -10.920 12.196 793 HD3 PRO 101 2HD PRO 101 4.583 -11.585 11.463 794 H LYS 102 H LYS 102 2.649 -15.192 14.339 795 HA LYS 102 HA LYS 102 0.967 -14.035 16.440 796 HB2 LYS 102 1HB LYS 102 1.010 -16.860 15.240 797 HB3 LYS 102 2HB LYS 102 -0.217 -16.294 16.353 798 HG2 LYS 102 1HG LYS 102 -1.381 -15.105 14.795 799 HG3 LYS 102 2HG LYS 102 0.040 -14.304 14.184 800 HD2 LYS 102 1HD LYS 102 -0.701 -15.404 12.331 801 HD3 LYS 102 2HD LYS 102 0.660 -16.384 12.847 802 HE2 LYS 102 1HE LYS 102 -1.007 -18.057 13.908 803 HE3 LYS 102 2HE LYS 102 -2.337 -17.037 13.339 804 HZ1 LYS 102 3HZ LYS 102 -0.299 -18.420 11.576 805 HZ2 LYS 102 1HZ LYS 102 -1.926 -18.651 11.527 806 HZ3 LYS 102 2HZ LYS 102 -1.275 -17.245 10.996 807 H GLN 103 H GLN 103 2.299 -13.663 18.140 808 HA GLN 103 HA GLN 103 3.810 -15.820 19.535 809 HB2 GLN 103 1HB GLN 103 3.513 -12.790 20.000 810 HB3 GLN 103 2HB GLN 103 4.566 -13.807 20.966 811 HG2 GLN 103 1HG GLN 103 6.040 -14.353 19.159 812 HG3 GLN 103 2HG GLN 103 4.923 -13.861 17.910 813 HE21 GLN 103 1HE2 GLN 103 4.701 -11.638 17.439 814 HE22 GLN 103 2HE2 GLN 103 5.927 -10.430 18.113 815 H PHE 104 H PHE 104 1.973 -17.024 20.153 816 HA PHE 104 HA PHE 104 0.719 -16.155 22.801 817 HD1 PHE 104 HD1 PHE 104 -0.176 -17.053 18.825 818 HD2 PHE 104 HD2 PHE 104 -1.415 -19.850 21.858 819 HE1 PHE 104 HE1 PHE 104 -0.471 -18.794 17.108 820 HE2 PHE 104 HE2 PHE 104 -1.724 -21.574 20.129 821 HZ PHE 104 HZ PHE 104 -1.249 -21.058 17.754 822 HB2 PHE 104 1HB PHE 104 -1.204 -17.450 22.411 823 HB3 PHE 104 2HB PHE 104 -0.934 -16.282 21.158 824 H GLY 105 H GLY 105 1.332 -19.305 21.486 825 HA2 GLY 105 1HA GLY 105 1.701 -20.473 24.219 826 HA3 GLY 105 2HA GLY 105 1.707 -21.364 22.722 827 H ARG 106 H ARG 106 3.652 -19.795 25.022 828 HA ARG 106 HA ARG 106 6.269 -20.234 23.607 829 HE ARG 106 HE ARG 106 6.252 -15.374 24.441 830 HB2 ARG 106 1HB ARG 106 5.655 -19.382 26.512 831 HB3 ARG 106 2HB ARG 106 7.267 -19.649 25.904 832 HG2 ARG 106 1HG ARG 106 7.006 -17.356 25.812 833 HG3 ARG 106 2HG ARG 106 6.971 -17.880 24.131 834 HD2 ARG 106 1HD ARG 106 4.468 -17.636 24.076 835 HD3 ARG 106 2HD ARG 106 4.443 -17.236 25.810 836 HH11 ARG 106 2HH2 ARG 106 2.837 -16.083 24.583 837 HH12 ARG 106 1HH2 ARG 106 2.420 -14.394 24.024 838 HH21 ARG 106 2HH1 ARG 106 5.703 -13.443 23.888 839 HH22 ARG 106 1HH1 ARG 106 3.948 -12.973 23.769 840 H ASN 107 H ASN 107 6.073 -22.433 23.146 841 HA ASN 107 HA ASN 107 5.909 -24.502 25.240 842 HB2 ASN 107 1HB ASN 107 4.987 -24.624 22.903 843 HB3 ASN 107 2HB ASN 107 6.604 -24.772 22.243 844 HD21 ASN 107 1HD2 ASN 107 7.708 -26.800 22.643 845 HD22 ASN 107 2HD2 ASN 107 6.706 -28.260 23.158 846 H LEU 108 H LEU 108 7.655 -23.970 26.599 847 HA LEU 108 HA LEU 108 10.472 -24.393 25.735 848 HG LEU 108 HG LEU 108 11.693 -24.871 28.581 849 HB2 LEU 108 1HB LEU 108 9.742 -22.739 27.475 850 HB3 LEU 108 2HB LEU 108 9.264 -24.058 28.538 851 HD11 LEU 108 1HD1 LEU 108 13.472 -23.219 27.868 852 HD12 LEU 108 2HD1 LEU 108 12.578 -23.823 26.470 853 HD13 LEU 108 3HD1 LEU 108 12.239 -22.196 27.100 854 HD21 LEU 108 3HD2 LEU 108 12.429 -23.062 30.146 855 HD22 LEU 108 1HD2 LEU 108 11.171 -21.969 29.524 856 HD23 LEU 108 2HD2 LEU 108 10.720 -23.451 30.398 857 H ALA 109 H ALA 109 10.295 -26.481 24.876 858 HA ALA 109 HA ALA 109 9.723 -28.866 26.470 859 HB1 ALA 109 3HB ALA 109 10.653 -30.121 24.504 860 HB2 ALA 109 1HB ALA 109 9.388 -28.931 24.178 861 HB3 ALA 109 2HB ALA 109 11.092 -28.572 23.743 862 H ARG 110 H ARG 110 10.789 -28.879 28.139 863 HA ARG 110 HA ARG 110 13.805 -29.523 28.258 864 HE ARG 110 HE ARG 110 15.484 -25.881 28.901 865 HB2 ARG 110 1HB ARG 110 13.286 -27.084 28.634 866 HB3 ARG 110 2HB ARG 110 12.285 -27.488 30.024 867 HG2 ARG 110 1HG ARG 110 14.271 -28.457 31.219 868 HG3 ARG 110 2HG ARG 110 15.309 -28.195 29.832 869 HD2 ARG 110 1HD ARG 110 13.822 -25.921 31.332 870 HD3 ARG 110 2HD ARG 110 15.460 -26.480 31.737 871 HH11 ARG 110 2HH2 ARG 110 15.144 -24.124 31.880 872 HH12 ARG 110 1HH2 ARG 110 15.869 -22.608 31.158 873 HH21 ARG 110 2HH1 ARG 110 16.322 -24.157 28.117 874 HH22 ARG 110 1HH1 ARG 110 16.498 -22.651 29.120 875 H ASP 111 H ASP 111 13.953 -31.503 29.088 876 HA ASP 111 HA ASP 111 12.007 -32.653 30.975 877 HB2 ASP 111 1HB ASP 111 13.377 -33.800 29.084 878 HB3 ASP 111 2HB ASP 111 14.744 -33.820 30.203 879 H LYS 112 H LYS 112 12.990 -33.946 32.737 880 HA LYS 112 HA LYS 112 14.946 -32.523 34.536 881 HB2 LYS 112 1HB LYS 112 12.694 -31.451 35.048 882 HB3 LYS 112 2HB LYS 112 12.085 -33.017 35.584 883 HG2 LYS 112 1HG LYS 112 13.909 -33.063 37.390 884 HG3 LYS 112 2HG LYS 112 14.478 -31.483 36.829 885 HD2 LYS 112 1HD LYS 112 12.189 -30.489 37.317 886 HD3 LYS 112 2HD LYS 112 11.613 -32.075 37.851 887 HE2 LYS 112 1HE LYS 112 13.394 -32.103 39.688 888 HE3 LYS 112 2HE LYS 112 13.960 -30.512 39.162 889 HZ1 LYS 112 3HZ LYS 112 12.279 -30.290 41.001 890 HZ2 LYS 112 1HZ LYS 112 11.666 -29.616 39.631 891 HZ3 LYS 112 2HZ LYS 112 11.146 -31.090 40.119 892 H LYS 113 H LYS 113 15.803 -34.490 33.556 893 HA LYS 113 HA LYS 113 15.740 -36.789 35.572 894 HB2 LYS 113 1HB LYS 113 15.464 -37.153 32.512 895 HB3 LYS 113 2HB LYS 113 15.761 -38.467 33.653 896 HG2 LYS 113 1HG LYS 113 13.473 -37.963 34.730 897 HG3 LYS 113 2HG LYS 113 13.230 -36.729 33.500 898 HD2 LYS 113 1HD LYS 113 13.805 -38.723 31.747 899 HD3 LYS 113 2HD LYS 113 13.521 -39.768 33.122 900 HE2 LYS 113 1HE LYS 113 11.409 -39.730 32.068 901 HE3 LYS 113 2HE LYS 113 11.172 -38.573 33.382 902 HZ1 LYS 113 3HZ LYS 113 10.443 -37.552 31.177 903 HZ2 LYS 113 1HZ LYS 113 11.798 -36.718 31.675 904 HZ3 LYS 113 2HZ LYS 113 11.961 -37.795 30.548 905 H LYS 114 H LYS 114 17.683 -37.854 35.763 906 HA LYS 114 HA LYS 114 20.142 -36.568 34.583 907 HB2 LYS 114 1HB LYS 114 19.858 -37.239 36.998 908 HB3 LYS 114 2HB LYS 114 19.922 -38.930 36.557 909 HG2 LYS 114 1HG LYS 114 22.206 -36.894 35.963 910 HG3 LYS 114 2HG LYS 114 21.978 -37.676 37.498 911 HD2 LYS 114 1HD LYS 114 23.509 -39.097 36.714 912 HD3 LYS 114 2HD LYS 114 22.087 -39.981 36.274 913 HE2 LYS 114 1HE LYS 114 22.868 -38.163 34.020 914 HE3 LYS 114 2HE LYS 114 24.313 -38.961 34.618 915 HZ1 LYS 114 3HZ LYS 114 21.766 -40.417 33.940 916 HZ2 LYS 114 1HZ LYS 114 22.942 -40.254 32.833 917 HZ3 LYS 114 2HZ LYS 114 23.220 -41.165 34.208 918 H GLN 115 H GLN 115 19.532 -37.135 32.480 919 HA GLN 115 HA GLN 115 19.906 -39.941 31.510 920 HB2 GLN 115 1HB GLN 115 19.001 -37.388 30.064 921 HB3 GLN 115 2HB GLN 115 19.110 -38.968 29.297 922 HG2 GLN 115 1HG GLN 115 17.459 -39.960 30.840 923 HG3 GLN 115 2HG GLN 115 17.395 -38.522 31.825 924 HE21 GLN 115 1HE2 GLN 115 16.822 -36.468 30.413 925 HE22 GLN 115 2HE2 GLN 115 15.183 -36.795 29.661 926 H ARG 116 H ARG 116 21.098 -37.252 29.632 927 HA ARG 116 HA ARG 116 23.756 -38.748 29.271 928 HE ARG 116 HE ARG 116 25.940 -38.390 25.014 929 HB2 ARG 116 1HB ARG 116 22.109 -38.079 27.309 930 HB3 ARG 116 2HB ARG 116 22.736 -36.458 27.481 931 HG2 ARG 116 1HG ARG 116 24.355 -39.030 26.881 932 HG3 ARG 116 2HG ARG 116 23.691 -37.914 25.696 933 HD2 ARG 116 1HD ARG 116 25.209 -36.051 26.686 934 HD3 ARG 116 2HD ARG 116 25.993 -37.295 27.677 935 HH11 ARG 116 2HH2 ARG 116 27.603 -35.685 26.568 936 HH12 ARG 116 1HH2 ARG 116 28.577 -35.420 25.037 937 HH21 ARG 116 2HH1 ARG 116 27.188 -38.094 23.418 938 HH22 ARG 116 1HH1 ARG 116 28.408 -36.745 23.418 939 H GLY 117 H GLY 117 24.251 -38.000 31.342 940 HA2 GLY 117 1HA GLY 117 24.465 -35.378 32.361 941 HA3 GLY 117 2HA GLY 117 25.524 -36.657 32.922 942 H ARG 118 H ARG 118 27.244 -37.053 31.074 943 HA ARG 118 HA ARG 118 28.562 -34.383 30.335 944 HE ARG 118 HE ARG 118 30.624 -36.624 28.360 945 HB2 ARG 118 1HB ARG 118 29.789 -35.829 32.130 946 HB3 ARG 118 2HB ARG 118 30.103 -36.999 30.869 947 HG2 ARG 118 1HG ARG 118 31.100 -34.106 31.150 948 HG3 ARG 118 2HG ARG 118 32.013 -35.586 31.327 949 HD2 ARG 118 1HD ARG 118 31.043 -34.244 28.758 950 HD3 ARG 118 2HD ARG 118 32.698 -34.527 29.244 951 HH11 ARG 118 2HH2 ARG 118 34.009 -36.020 28.993 952 HH12 ARG 118 1HH2 ARG 118 34.470 -37.723 28.506 953 HH21 ARG 118 2HH1 ARG 118 31.175 -38.435 27.766 954 HH22 ARG 118 1HH1 ARG 118 32.897 -39.052 27.821 Start of MODEL 10 1 HA MET 1 HA MET 1 34.505 -15.423 13.344 2 H1 MET 1 1H MET 1 35.328 -17.624 12.685 3 H2 MET 1 2H MET 1 36.378 -16.996 11.589 4 H3 MET 1 3H MET 1 36.609 -16.715 13.191 5 HB2 MET 1 1HB MET 1 36.574 -14.373 11.299 6 HB3 MET 1 2HB MET 1 35.255 -13.423 11.957 7 HG2 MET 1 1HG MET 1 36.139 -13.740 14.309 8 HG3 MET 1 2HG MET 1 37.521 -14.654 13.665 9 HE1 MET 1 3HE MET 1 39.192 -12.930 14.784 10 HE2 MET 1 1HE MET 1 39.092 -11.165 14.540 11 HE3 MET 1 2HE MET 1 37.799 -12.012 15.431 12 H ALA 2 H ALA 2 35.153 -15.348 9.767 13 HA ALA 2 HA ALA 2 32.198 -15.438 9.301 14 HB1 ALA 2 3HB ALA 2 34.571 -15.299 7.327 15 HB2 ALA 2 1HB ALA 2 32.858 -15.072 6.926 16 HB3 ALA 2 2HB ALA 2 33.664 -13.919 8.002 17 H GLY 3 H GLY 3 31.251 -17.348 9.469 18 HA2 GLY 3 1HA GLY 3 32.487 -19.980 8.781 19 HA3 GLY 3 2HA GLY 3 30.835 -19.746 9.297 20 H SER 4 H SER 4 29.385 -18.714 7.570 21 HA SER 4 HA SER 4 29.741 -20.272 4.980 22 HG SER 4 HG SER 4 27.587 -20.651 3.944 23 HB2 SER 4 1HB SER 4 27.574 -20.414 6.218 24 HB3 SER 4 2HB SER 4 27.311 -18.678 5.994 25 H GLY 5 H GLY 5 31.308 -19.114 3.946 26 HA2 GLY 5 1HA GLY 5 31.396 -16.274 3.387 27 HA3 GLY 5 2HA GLY 5 32.167 -17.478 2.376 28 H ILE 6 H ILE 6 30.400 -18.729 0.995 29 HA ILE 6 HA ILE 6 28.767 -16.667 -0.490 30 HB ILE 6 HB ILE 6 30.128 -17.981 -1.885 31 HG12 ILE 6 1HG1 ILE 6 28.478 -18.798 -3.570 32 HG13 ILE 6 2HG1 ILE 6 27.167 -18.680 -2.409 33 HG21 ILE 6 1HG2 ILE 6 29.855 -20.373 -2.338 34 HG22 ILE 6 2HG2 ILE 6 30.182 -20.129 -0.610 35 HG23 ILE 6 3HG2 ILE 6 28.536 -20.527 -1.147 36 HD11 ILE 6 3HD1 ILE 6 28.872 -16.282 -3.402 37 HD12 ILE 6 1HD1 ILE 6 27.260 -16.730 -3.995 38 HD13 ILE 6 2HD1 ILE 6 27.455 -16.161 -2.329 39 H ILE 7 H ILE 7 27.562 -16.396 1.497 40 HA ILE 7 HA ILE 7 25.484 -18.385 2.181 41 HB ILE 7 HB ILE 7 26.479 -17.057 3.873 42 HG12 ILE 7 1HG1 ILE 7 24.484 -16.274 5.149 43 HG13 ILE 7 2HG1 ILE 7 23.477 -16.350 3.713 44 HG21 ILE 7 1HG2 ILE 7 26.012 -14.670 4.310 45 HG22 ILE 7 2HG2 ILE 7 26.843 -14.833 2.762 46 HG23 ILE 7 3HG2 ILE 7 25.097 -14.506 2.791 47 HD11 ILE 7 3HD1 ILE 7 23.177 -18.331 5.233 48 HD12 ILE 7 1HD1 ILE 7 23.770 -18.878 3.652 49 HD13 ILE 7 2HD1 ILE 7 24.882 -18.780 5.036 50 H TYR 8 H TYR 8 24.759 -18.640 0.022 51 HA TYR 8 HA TYR 8 23.128 -16.611 -1.314 52 HD1 TYR 8 HD2 TYR 8 23.552 -16.426 -3.893 53 HD2 TYR 8 HD1 TYR 8 21.357 -20.083 -3.265 54 HE1 TYR 8 HE2 TYR 8 22.148 -15.932 -5.852 55 HE2 TYR 8 HE1 TYR 8 19.979 -19.580 -5.246 56 HH TYR 8 HH TYR 8 19.827 -16.490 -6.546 57 HB2 TYR 8 1HB TYR 8 24.459 -18.432 -2.419 58 HB3 TYR 8 2HB TYR 8 23.310 -19.639 -1.873 59 H LYS 9 H LYS 9 21.318 -15.909 -0.443 60 HA LYS 9 HA LYS 9 19.093 -17.821 0.440 61 HB2 LYS 9 1HB LYS 9 20.096 -15.312 1.942 62 HB3 LYS 9 2HB LYS 9 18.620 -16.150 2.353 63 HG2 LYS 9 1HG LYS 9 21.383 -17.548 2.462 64 HG3 LYS 9 2HG LYS 9 20.804 -16.507 3.722 65 HD2 LYS 9 1HD LYS 9 20.361 -18.682 4.461 66 HD3 LYS 9 2HD LYS 9 18.837 -17.889 4.183 67 HE2 LYS 9 1HE LYS 9 18.660 -20.199 3.538 68 HE3 LYS 9 2HE LYS 9 18.436 -19.218 2.101 69 HZ1 LYS 9 3HZ LYS 9 21.118 -20.444 2.791 70 HZ2 LYS 9 1HZ LYS 9 20.037 -21.194 1.797 71 HZ3 LYS 9 2HZ LYS 9 20.707 -19.761 1.348 72 H GLN 10 H GLN 10 17.387 -17.374 -0.785 73 HA GLN 10 HA GLN 10 17.151 -14.614 -2.094 74 HB2 GLN 10 1HB GLN 10 16.257 -17.335 -3.179 75 HB3 GLN 10 2HB GLN 10 16.060 -15.794 -3.989 76 HG2 GLN 10 1HG GLN 10 18.791 -17.080 -3.284 77 HG3 GLN 10 2HG GLN 10 17.950 -17.249 -4.792 78 HE21 GLN 10 1HE2 GLN 10 19.288 -14.642 -2.703 79 HE22 GLN 10 2HE2 GLN 10 19.870 -13.702 -4.178 80 HA PRO 11 HA PRO 11 13.227 -14.994 0.361 81 HB2 PRO 11 1HB PRO 11 12.818 -12.377 1.064 82 HB3 PRO 11 2HB PRO 11 14.147 -13.358 1.708 83 HG2 PRO 11 1HG PRO 11 14.311 -11.377 -0.655 84 HG3 PRO 11 2HG PRO 11 15.344 -11.408 0.799 85 HD2 PRO 11 1HD PRO 11 16.090 -12.646 -1.581 86 HD3 PRO 11 2HD PRO 11 16.562 -13.340 -0.001 87 H ILE 12 H ILE 12 12.449 -15.753 -1.719 88 HA ILE 12 HA ILE 12 11.049 -13.961 -3.574 89 HB ILE 12 HB ILE 12 12.172 -15.914 -4.294 90 HG12 ILE 12 1HG1 ILE 12 9.217 -16.212 -5.115 91 HG13 ILE 12 2HG1 ILE 12 10.132 -14.768 -5.513 92 HG21 ILE 12 1HG2 ILE 12 9.895 -17.714 -3.210 93 HG22 ILE 12 2HG2 ILE 12 11.316 -18.215 -4.150 94 HG23 ILE 12 3HG2 ILE 12 11.515 -17.601 -2.500 95 HD11 ILE 12 3HD1 ILE 12 10.948 -17.604 -6.415 96 HD12 ILE 12 1HD1 ILE 12 10.232 -16.323 -7.413 97 HD13 ILE 12 2HD1 ILE 12 11.861 -16.107 -6.735 98 H TYR 13 H TYR 13 9.814 -12.858 -2.102 99 HA TYR 13 HA TYR 13 7.007 -13.943 -1.665 100 HD1 TYR 13 HD1 TYR 13 5.540 -14.509 0.271 101 HD2 TYR 13 HD2 TYR 13 7.650 -11.092 1.849 102 HE1 TYR 13 HE1 TYR 13 3.489 -13.737 1.397 103 HE2 TYR 13 HE2 TYR 13 5.599 -10.385 3.008 104 HH TYR 13 HH TYR 13 2.615 -11.457 1.966 105 HB2 TYR 13 1HB TYR 13 8.318 -14.242 0.410 106 HB3 TYR 13 2HB TYR 13 8.845 -12.569 0.403 107 H GLN 14 H GLN 14 5.630 -12.689 -2.540 108 HA GLN 14 HA GLN 14 6.088 -10.054 -3.597 109 HB2 GLN 14 1HB GLN 14 3.924 -10.102 -4.471 110 HB3 GLN 14 2HB GLN 14 4.590 -11.703 -4.588 111 HG2 GLN 14 1HG GLN 14 2.502 -10.822 -2.467 112 HG3 GLN 14 2HG GLN 14 2.126 -11.547 -4.008 113 HE21 GLN 14 1HE2 GLN 14 2.231 -12.389 -0.851 114 HE22 GLN 14 2HE2 GLN 14 2.582 -14.164 -1.183 115 H GLY 15 H GLY 15 4.669 -10.752 -0.472 116 HA2 GLY 15 1HA GLY 15 3.239 -8.190 -0.100 117 HA3 GLY 15 2HA GLY 15 3.652 -9.299 1.170 118 H ASN 16 H ASN 16 4.851 -6.687 -0.720 119 HA ASN 16 HA ASN 16 6.741 -5.837 1.513 120 HB2 ASN 16 1HB ASN 16 7.483 -5.517 -1.450 121 HB3 ASN 16 2HB ASN 16 8.457 -5.146 -0.050 122 HD21 ASN 16 1HD2 ASN 16 8.493 -7.338 -2.389 123 HD22 ASN 16 2HD2 ASN 16 8.545 -8.909 -1.436 124 H LEU 17 H LEU 17 5.352 -4.462 -1.496 125 HA LEU 17 HA LEU 17 5.790 -1.755 -0.573 126 HG LEU 17 HG LEU 17 4.886 -3.993 -3.440 127 HB2 LEU 17 1HB LEU 17 4.588 -1.017 -2.651 128 HB3 LEU 17 2HB LEU 17 6.081 -1.896 -2.713 129 HD11 LEU 17 1HD1 LEU 17 2.614 -3.736 -4.496 130 HD12 LEU 17 2HD1 LEU 17 2.509 -3.609 -2.749 131 HD13 LEU 17 3HD1 LEU 17 2.425 -2.141 -3.752 132 HD21 LEU 17 3HD2 LEU 17 4.560 -1.475 -5.198 133 HD22 LEU 17 1HD2 LEU 17 6.045 -2.435 -5.009 134 HD23 LEU 17 2HD2 LEU 17 4.622 -3.161 -5.772 135 H ILE 18 H ILE 18 2.501 -3.195 -0.996 136 HA ILE 18 HA ILE 18 1.438 -0.901 0.727 137 HB ILE 18 HB ILE 18 0.154 -2.812 -1.294 138 HG12 ILE 18 1HG1 ILE 18 1.422 -0.824 -2.164 139 HG13 ILE 18 2HG1 ILE 18 -0.255 -0.914 -2.634 140 HG21 ILE 18 1HG2 ILE 18 -1.583 -2.620 0.439 141 HG22 ILE 18 2HG2 ILE 18 -1.402 -0.858 0.515 142 HG23 ILE 18 3HG2 ILE 18 -2.030 -1.637 -0.955 143 HD11 ILE 18 3HD1 ILE 18 0.637 1.431 -2.004 144 HD12 ILE 18 1HD1 ILE 18 -0.861 0.965 -1.173 145 HD13 ILE 18 2HD1 ILE 18 0.684 0.926 -0.309 146 H LYS 19 H LYS 19 2.001 -1.527 2.697 147 HA LYS 19 HA LYS 19 0.342 -3.730 3.989 148 HB2 LYS 19 1HB LYS 19 3.318 -3.471 4.713 149 HB3 LYS 19 2HB LYS 19 2.128 -4.622 5.319 150 HG2 LYS 19 1HG LYS 19 2.013 -5.529 2.848 151 HG3 LYS 19 2HG LYS 19 3.396 -4.527 2.505 152 HD2 LYS 19 1HD LYS 19 3.280 -6.689 4.728 153 HD3 LYS 19 2HD LYS 19 3.798 -6.974 3.088 154 HE2 LYS 19 1HE LYS 19 5.615 -5.067 3.493 155 HE3 LYS 19 2HE LYS 19 5.167 -5.154 5.198 156 HZ1 LYS 19 3HZ LYS 19 7.027 -6.782 4.646 157 HZ2 LYS 19 1HZ LYS 19 5.681 -7.624 5.110 158 HZ3 LYS 19 2HZ LYS 19 6.058 -7.504 3.512 159 H GLN 20 H GLN 20 -0.782 -2.577 5.438 160 HA GLN 20 HA GLN 20 -0.438 0.080 6.004 161 HB2 GLN 20 1HB GLN 20 -2.486 -1.436 6.443 162 HB3 GLN 20 2HB GLN 20 -1.801 -1.804 8.016 163 HG2 GLN 20 1HG GLN 20 -3.363 -0.099 8.454 164 HG3 GLN 20 2HG GLN 20 -1.847 0.758 8.529 165 HE21 GLN 20 1HE2 GLN 20 -4.899 0.709 7.069 166 HE22 GLN 20 2HE2 GLN 20 -4.540 1.940 5.749 167 H ASN 21 H ASN 21 0.804 -2.300 8.347 168 HA ASN 21 HA ASN 21 1.875 -0.177 10.161 169 HB2 ASN 21 1HB ASN 21 1.138 -2.360 11.028 170 HB3 ASN 21 2HB ASN 21 2.394 -3.198 10.137 171 HD21 ASN 21 1HD2 ASN 21 2.295 -0.348 12.464 172 HD22 ASN 21 2HD2 ASN 21 3.618 -1.147 13.452 173 H ALA 22 H ALA 22 3.328 -1.978 7.459 174 HA ALA 22 HA ALA 22 6.089 -0.870 7.927 175 HB1 ALA 22 3HB ALA 22 4.943 -2.131 5.359 176 HB2 ALA 22 1HB ALA 22 6.647 -1.815 5.729 177 HB3 ALA 22 2HB ALA 22 5.761 -3.027 6.673 178 H VAL 23 H VAL 23 3.302 0.049 5.865 179 HA VAL 23 HA VAL 23 4.626 2.472 4.765 180 HB VAL 23 HB VAL 23 1.630 1.806 4.927 181 HG11 VAL 23 1HG1 VAL 23 1.432 3.462 2.992 182 HG12 VAL 23 2HG1 VAL 23 1.889 4.247 4.524 183 HG13 VAL 23 3HG1 VAL 23 3.116 3.969 3.267 184 HG21 VAL 23 3HG2 VAL 23 1.865 1.157 2.508 185 HG22 VAL 23 1HG2 VAL 23 3.634 1.417 2.586 186 HG23 VAL 23 2HG2 VAL 23 2.883 0.126 3.524 187 H GLU 24 H GLU 24 2.518 2.019 7.616 188 HA GLU 24 HA GLU 24 2.703 4.734 8.704 189 HB2 GLU 24 1HB GLU 24 1.156 2.969 9.464 190 HB3 GLU 24 2HB GLU 24 2.490 1.909 9.888 191 HG2 GLU 24 1HG GLU 24 3.122 3.490 11.796 192 HG3 GLU 24 2HG GLU 24 1.698 4.460 11.413 193 H GLN 25 H GLN 25 4.853 1.936 9.221 194 HA GLN 25 HA GLN 25 6.778 3.392 10.901 195 HB2 GLN 25 1HB GLN 25 6.236 0.927 10.937 196 HB3 GLN 25 2HB GLN 25 7.087 0.715 9.407 197 HG2 GLN 25 1HG GLN 25 9.248 1.454 10.547 198 HG3 GLN 25 2HG GLN 25 8.381 1.709 12.049 199 HE21 GLN 25 1HE2 GLN 25 7.452 -0.238 13.074 200 HE22 GLN 25 2HE2 GLN 25 8.216 -1.863 12.668 201 H LEU 26 H LEU 26 6.856 2.890 7.369 202 HA LEU 26 HA LEU 26 9.585 3.292 6.919 203 HG LEU 26 HG LEU 26 6.225 4.059 5.345 204 HB2 LEU 26 1HB LEU 26 9.208 3.855 4.629 205 HB3 LEU 26 2HB LEU 26 8.244 2.528 5.225 206 HD11 LEU 26 1HD1 LEU 26 7.899 5.956 3.579 207 HD12 LEU 26 2HD1 LEU 26 6.149 6.071 3.889 208 HD13 LEU 26 3HD1 LEU 26 7.279 6.343 5.197 209 HD21 LEU 26 3HD2 LEU 26 7.540 3.585 2.585 210 HD22 LEU 26 1HD2 LEU 26 6.590 2.389 3.508 211 HD23 LEU 26 2HD2 LEU 26 5.801 3.838 2.875 212 H GLN 27 H GLN 27 7.666 5.928 7.879 213 HA GLN 27 HA GLN 27 8.143 8.260 8.149 214 HB2 GLN 27 1HB GLN 27 9.137 6.719 9.938 215 HB3 GLN 27 2HB GLN 27 10.718 6.994 9.223 216 HG2 GLN 27 1HG GLN 27 10.490 9.482 9.681 217 HG3 GLN 27 2HG GLN 27 8.864 9.246 10.296 218 HE21 GLN 27 1HE2 GLN 27 8.659 8.041 12.333 219 HE22 GLN 27 2HE2 GLN 27 10.124 8.007 13.450 220 H VAL 28 H VAL 28 8.542 7.987 5.555 221 HA VAL 28 HA VAL 28 11.074 9.425 4.773 222 HB VAL 28 HB VAL 28 8.655 8.483 3.099 223 HG11 VAL 28 1HG1 VAL 28 9.669 10.400 1.869 224 HG12 VAL 28 2HG1 VAL 28 11.310 9.752 2.108 225 HG13 VAL 28 3HG1 VAL 28 10.134 8.896 1.072 226 HG21 VAL 28 3HG2 VAL 28 10.269 6.773 2.209 227 HG22 VAL 28 1HG2 VAL 28 11.557 7.380 3.282 228 HG23 VAL 28 2HG2 VAL 28 10.116 6.596 3.961 229 H GLY 29 H GLY 29 11.266 11.546 4.710 230 HA2 GLY 29 1HA GLY 29 8.821 13.405 4.330 231 HA3 GLY 29 2HA GLY 29 10.021 13.752 5.546 232 H GLN 30 H GLN 30 10.253 12.712 2.194 233 HA GLN 30 HA GLN 30 12.089 15.086 1.553 234 HB2 GLN 30 1HB GLN 30 13.168 12.889 2.228 235 HB3 GLN 30 2HB GLN 30 12.517 12.115 0.795 236 HG2 GLN 30 1HG GLN 30 14.422 14.567 0.781 237 HG3 GLN 30 2HG GLN 30 14.958 12.907 0.793 238 HE21 GLN 30 1HE2 GLN 30 14.111 15.422 -1.278 239 HE22 GLN 30 2HE2 GLN 30 14.130 14.379 -2.789 240 H SER 31 H SER 31 10.067 12.617 -0.155 241 HA SER 31 HA SER 31 9.585 14.588 -2.369 242 HG SER 31 HG SER 31 9.847 14.595 -4.911 243 HB2 SER 31 1HB SER 31 11.754 13.719 -3.089 244 HB3 SER 31 2HB SER 31 11.247 12.043 -2.877 245 H LYS 32 H LYS 32 7.860 14.196 -3.562 246 HA LYS 32 HA LYS 32 5.914 12.076 -2.880 247 HB2 LYS 32 1HB LYS 32 4.420 12.912 -4.424 248 HB3 LYS 32 2HB LYS 32 5.189 14.279 -3.655 249 HG2 LYS 32 1HG LYS 32 6.669 14.505 -5.810 250 HG3 LYS 32 2HG LYS 32 5.725 13.212 -6.506 251 HD2 LYS 32 1HD LYS 32 4.690 15.145 -7.366 252 HD3 LYS 32 2HD LYS 32 3.592 14.545 -6.146 253 HE2 LYS 32 1HE LYS 32 3.581 16.879 -5.792 254 HE3 LYS 32 2HE LYS 32 4.586 16.300 -4.488 255 HZ1 LYS 32 3HZ LYS 32 5.606 17.526 -7.063 256 HZ2 LYS 32 1HZ LYS 32 5.709 18.181 -5.557 257 HZ3 LYS 32 2HZ LYS 32 6.649 16.866 -5.974 258 H GLN 33 H GLN 33 8.270 12.349 -5.450 259 HA GLN 33 HA GLN 33 7.357 9.921 -6.922 260 HB2 GLN 33 1HB GLN 33 8.438 11.855 -7.983 261 HB3 GLN 33 2HB GLN 33 9.933 11.606 -7.081 262 HG2 GLN 33 1HG GLN 33 10.454 9.552 -8.257 263 HG3 GLN 33 2HG GLN 33 8.818 9.356 -8.853 264 HE21 GLN 33 1HE2 GLN 33 11.859 10.821 -9.552 265 HE22 GLN 33 2HE2 GLN 33 11.282 11.605 -11.114 266 H GLN 34 H GLN 34 9.812 10.451 -4.465 267 HA GLN 34 HA GLN 34 10.913 7.675 -4.518 268 HB2 GLN 34 1HB GLN 34 10.966 9.767 -2.253 269 HB3 GLN 34 2HB GLN 34 11.761 8.209 -2.165 270 HG2 GLN 34 1HG GLN 34 12.441 10.428 -4.205 271 HG3 GLN 34 2HG GLN 34 13.291 10.079 -2.725 272 HE21 GLN 34 1HE2 GLN 34 13.058 9.247 -6.016 273 HE22 GLN 34 2HE2 GLN 34 14.310 7.895 -5.920 274 H VAL 35 H VAL 35 8.405 9.189 -2.395 275 HA VAL 35 HA VAL 35 7.749 6.562 -1.178 276 HB VAL 35 HB VAL 35 7.471 8.733 0.007 277 HG11 VAL 35 1HG1 VAL 35 6.263 10.093 -1.755 278 HG12 VAL 35 2HG1 VAL 35 4.827 9.084 -1.561 279 HG13 VAL 35 3HG1 VAL 35 5.421 10.067 -0.201 280 HG21 VAL 35 3HG2 VAL 35 6.468 6.624 0.873 281 HG22 VAL 35 1HG2 VAL 35 5.469 8.031 1.282 282 HG23 VAL 35 2HG2 VAL 35 4.968 6.936 -0.029 283 H SER 36 H SER 36 6.318 8.340 -3.920 284 HA SER 36 HA SER 36 4.223 6.294 -4.374 285 HG SER 36 HG SER 36 4.996 7.402 -7.639 286 HB2 SER 36 1HB SER 36 3.486 7.518 -6.142 287 HB3 SER 36 2HB SER 36 4.322 8.796 -5.289 288 H ALA 37 H ALA 37 7.507 6.592 -5.739 289 HA ALA 37 HA ALA 37 7.309 4.178 -7.433 290 HB1 ALA 37 3HB ALA 37 9.823 4.308 -7.468 291 HB2 ALA 37 1HB ALA 37 9.087 5.899 -7.744 292 HB3 ALA 37 2HB ALA 37 9.788 5.512 -6.157 293 H LEU 38 H LEU 38 8.381 4.540 -4.050 294 HA LEU 38 HA LEU 38 8.885 1.632 -3.638 295 HG LEU 38 HG LEU 38 10.610 1.696 -1.837 296 HB2 LEU 38 1HB LEU 38 8.600 4.051 -1.771 297 HB3 LEU 38 2HB LEU 38 8.390 2.462 -1.081 298 HD11 LEU 38 1HD1 LEU 38 11.040 3.247 -3.808 299 HD12 LEU 38 2HD1 LEU 38 11.138 4.628 -2.698 300 HD13 LEU 38 3HD1 LEU 38 12.336 3.323 -2.606 301 HD21 LEU 38 3HD2 LEU 38 11.869 3.063 -0.140 302 HD22 LEU 38 1HD2 LEU 38 10.598 4.308 -0.170 303 HD23 LEU 38 2HD2 LEU 38 10.243 2.676 0.447 304 H LEU 39 H LEU 39 5.981 3.599 -2.909 305 HA LEU 39 HA LEU 39 4.313 1.271 -2.134 306 HG LEU 39 HG LEU 39 4.652 3.832 -0.762 307 HB2 LEU 39 1HB LEU 39 3.683 4.103 -3.174 308 HB3 LEU 39 2HB LEU 39 2.408 3.003 -2.714 309 HD11 LEU 39 1HD1 LEU 39 3.386 5.851 -1.447 310 HD12 LEU 39 2HD1 LEU 39 1.831 5.040 -1.147 311 HD13 LEU 39 3HD1 LEU 39 2.926 5.378 0.206 312 HD21 LEU 39 3HD2 LEU 39 1.846 2.736 -0.098 313 HD22 LEU 39 1HD2 LEU 39 3.269 1.671 -0.195 314 HD23 LEU 39 2HD2 LEU 39 3.212 2.965 0.996 315 H GLY 40 H GLY 40 4.926 2.741 -5.246 316 HA2 GLY 40 1HA GLY 40 4.730 1.428 -7.393 317 HA3 GLY 40 2HA GLY 40 3.457 0.454 -6.699 318 H THR 41 H THR 41 4.138 3.878 -7.410 319 HA THR 41 HA THR 41 1.700 4.184 -9.147 320 HB THR 41 HB THR 41 2.002 5.655 -6.442 321 HG1 THR 41 HG1 THR 41 0.939 3.419 -7.045 322 HG21 THR 41 3HG2 THR 41 -0.233 6.074 -8.549 323 HG22 THR 41 1HG2 THR 41 -0.196 6.725 -6.921 324 HG23 THR 41 2HG2 THR 41 0.992 7.283 -8.100 325 HA PRO 42 HA PRO 42 4.761 7.216 -10.837 326 HB2 PRO 42 1HB PRO 42 3.194 8.538 -12.729 327 HB3 PRO 42 2HB PRO 42 3.763 6.864 -12.909 328 HG2 PRO 42 1HG PRO 42 1.030 7.785 -11.815 329 HG3 PRO 42 2HG PRO 42 1.318 6.628 -13.144 330 HD2 PRO 42 1HD PRO 42 0.861 5.753 -10.571 331 HD3 PRO 42 2HD PRO 42 2.069 4.901 -11.582 332 H SER 43 H SER 43 5.144 9.555 -10.984 333 HA SER 43 HA SER 43 4.156 10.929 -8.535 334 HG SER 43 HG SER 43 7.496 11.580 -10.793 335 HB2 SER 43 1HB SER 43 6.118 12.378 -8.919 336 HB3 SER 43 2HB SER 43 6.559 10.682 -9.047 337 H ILE 44 H ILE 44 4.313 13.409 -9.023 338 HA ILE 44 HA ILE 44 2.016 14.116 -10.957 339 HB ILE 44 HB ILE 44 2.174 15.190 -8.078 340 HG12 ILE 44 1HG1 ILE 44 -0.001 13.388 -9.345 341 HG13 ILE 44 2HG1 ILE 44 1.296 12.756 -8.348 342 HG21 ILE 44 1HG2 ILE 44 1.282 16.911 -9.719 343 HG22 ILE 44 2HG2 ILE 44 0.099 15.726 -10.326 344 HG23 ILE 44 3HG2 ILE 44 -0.000 16.342 -8.658 345 HD11 ILE 44 3HD1 ILE 44 -0.829 14.745 -7.346 346 HD12 ILE 44 1HD1 ILE 44 -0.666 13.026 -6.951 347 HD13 ILE 44 2HD1 ILE 44 0.563 14.192 -6.395 348 HA PRO 45 HA PRO 45 5.417 17.266 -11.570 349 HB2 PRO 45 1HB PRO 45 5.933 16.946 -14.229 350 HB3 PRO 45 2HB PRO 45 6.400 15.715 -13.033 351 HG2 PRO 45 1HG PRO 45 3.872 15.718 -14.805 352 HG3 PRO 45 2HG PRO 45 5.069 14.403 -14.647 353 HD2 PRO 45 1HD PRO 45 2.703 14.494 -13.133 354 HD3 PRO 45 2HD PRO 45 4.199 13.744 -12.507 355 H ASP 46 H ASP 46 3.419 18.483 -10.903 356 HA ASP 46 HA ASP 46 1.990 19.972 -13.084 357 HB2 ASP 46 1HB ASP 46 0.671 19.314 -11.189 358 HB3 ASP 46 2HB ASP 46 1.720 20.149 -10.054 359 HA PRO 47 HA PRO 47 5.130 23.441 -12.624 360 HB2 PRO 47 1HB PRO 47 4.501 24.846 -14.907 361 HB3 PRO 47 2HB PRO 47 5.371 23.297 -14.951 362 HG2 PRO 47 1HG PRO 47 2.342 23.730 -15.347 363 HG3 PRO 47 2HG PRO 47 3.451 22.853 -16.434 364 HD2 PRO 47 1HD PRO 47 1.902 21.583 -14.481 365 HD3 PRO 47 2HD PRO 47 3.505 20.929 -14.951 366 H PHE 48 H PHE 48 1.675 23.512 -12.287 367 HA PHE 48 HA PHE 48 1.559 26.456 -11.600 368 HD1 PHE 48 HD1 PHE 48 -0.387 26.843 -9.277 369 HD2 PHE 48 HD2 PHE 48 -2.155 26.276 -13.167 370 HE1 PHE 48 HE1 PHE 48 -1.949 28.685 -8.843 371 HE2 PHE 48 HE2 PHE 48 -3.700 28.130 -12.723 372 HZ PHE 48 HZ PHE 48 -3.609 29.342 -10.563 373 HB2 PHE 48 1HB PHE 48 -0.315 24.962 -12.636 374 HB3 PHE 48 2HB PHE 48 -0.573 24.311 -11.055 375 H HIS 49 H HIS 49 0.814 23.553 -9.523 376 HA HIS 49 HA HIS 49 3.106 24.142 -7.838 377 HD1 HIS 49 HD1 HIS 49 2.158 27.197 -4.970 378 HD2 HIS 49 HD2 HIS 49 3.415 23.096 -5.043 379 HE1 HIS 49 HE1 HIS 49 3.920 26.747 -3.141 380 HB2 HIS 49 1HB HIS 49 1.311 25.917 -7.021 381 HB3 HIS 49 2HB HIS 49 0.512 24.578 -6.225 382 H ALA 50 H ALA 50 3.503 21.972 -8.254 383 HA ALA 50 HA ALA 50 1.743 19.804 -7.817 384 HB1 ALA 50 3HB ALA 50 3.840 19.839 -9.195 385 HB2 ALA 50 1HB ALA 50 4.828 19.793 -7.720 386 HB3 ALA 50 2HB ALA 50 3.738 18.441 -8.125 387 H GLN 51 H GLN 51 0.791 20.303 -5.788 388 HA GLN 51 HA GLN 51 2.252 19.492 -3.266 389 HB2 GLN 51 1HB GLN 51 -0.561 20.665 -3.692 390 HB3 GLN 51 2HB GLN 51 0.246 20.403 -2.136 391 HG2 GLN 51 1HG GLN 51 2.190 21.913 -3.143 392 HG3 GLN 51 2HG GLN 51 0.995 22.396 -4.324 393 HE21 GLN 51 1HE2 GLN 51 2.216 23.071 -1.309 394 HE22 GLN 51 2HE2 GLN 51 0.845 24.204 -0.788 395 H ARG 52 H ARG 52 -0.492 18.688 -2.289 396 HA ARG 52 HA ARG 52 0.057 16.082 -1.664 397 HE ARG 52 HE ARG 52 -2.252 18.521 -4.297 398 HB2 ARG 52 1HB ARG 52 -2.033 15.826 -0.714 399 HB3 ARG 52 2HB ARG 52 -1.634 17.506 -0.599 400 HG2 ARG 52 1HG ARG 52 -3.677 16.157 -2.473 401 HG3 ARG 52 2HG ARG 52 -3.997 16.990 -0.973 402 HD2 ARG 52 1HD ARG 52 -4.703 18.576 -2.513 403 HD3 ARG 52 2HD ARG 52 -3.122 19.175 -2.096 404 HH11 ARG 52 2HH2 ARG 52 -5.475 17.244 -3.957 405 HH12 ARG 52 1HH2 ARG 52 -5.515 16.781 -5.728 406 HH21 ARG 52 2HH1 ARG 52 -2.388 18.068 -6.277 407 HH22 ARG 52 1HH1 ARG 52 -3.860 17.218 -6.950 408 H TRP 53 H TRP 53 -0.695 14.011 -2.071 409 HA TRP 53 HA TRP 53 -1.737 13.337 -4.887 410 HD1 TRP 53 HD1 TRP 53 -2.727 10.381 -5.231 411 HE1 TRP 53 HE1 TRP 53 -2.421 7.770 -5.296 412 HE3 TRP 53 HE3 TRP 53 1.992 10.232 -3.162 413 HZ2 TRP 53 HZ2 TRP 53 -0.370 6.006 -4.458 414 HZ3 TRP 53 HZ3 TRP 53 3.034 8.014 -2.782 415 HH2 TRP 53 HH2 TRP 53 1.874 5.948 -3.402 416 HB2 TRP 53 1HB TRP 53 0.404 12.327 -4.602 417 HB3 TRP 53 2HB TRP 53 0.075 11.869 -2.942 418 H ASP 54 H ASP 54 -3.761 14.044 -4.178 419 HA ASP 54 HA ASP 54 -5.210 12.193 -2.178 420 HB2 ASP 54 1HB ASP 54 -5.113 14.617 -1.560 421 HB3 ASP 54 2HB ASP 54 -5.966 15.050 -3.043 422 H TYR 55 H TYR 55 -5.025 10.777 -4.110 423 HA TYR 55 HA TYR 55 -7.399 11.070 -6.027 424 HD1 TYR 55 HD2 TYR 55 -7.056 12.360 -8.537 425 HD2 TYR 55 HD1 TYR 55 -3.349 12.378 -6.351 426 HE1 TYR 55 HE2 TYR 55 -6.785 14.750 -9.008 427 HE2 TYR 55 HE1 TYR 55 -3.114 14.766 -6.758 428 HH TYR 55 HH TYR 55 -5.406 16.503 -8.867 429 HB2 TYR 55 1HB TYR 55 -4.485 10.242 -6.723 430 HB3 TYR 55 2HB TYR 55 -5.827 10.157 -7.835 431 H THR 56 H THR 56 -8.263 9.207 -6.839 432 HA THR 56 HA THR 56 -7.705 6.584 -5.397 433 HB THR 56 HB THR 56 -9.848 7.210 -7.498 434 HG1 THR 56 HG1 THR 56 -9.825 8.155 -5.265 435 HG21 THR 56 3HG2 THR 56 -10.919 5.118 -6.699 436 HG22 THR 56 1HG2 THR 56 -9.322 4.715 -7.363 437 HG23 THR 56 2HG2 THR 56 -9.567 4.772 -5.605 438 H SER 57 H SER 57 -5.570 6.640 -6.152 439 HA SER 57 HA SER 57 -4.886 6.034 -8.962 440 HG SER 57 HG SER 57 -3.859 5.358 -5.652 441 HB2 SER 57 1HB SER 57 -2.593 5.779 -8.103 442 HB3 SER 57 2HB SER 57 -3.367 7.226 -7.481 443 H THR 58 H THR 58 -3.681 4.124 -9.637 444 HA THR 58 HA THR 58 -4.500 1.528 -8.384 445 HB THR 58 HB THR 58 -6.513 2.149 -9.583 446 HG1 THR 58 HG1 THR 58 -5.832 -0.025 -9.355 447 HG21 THR 58 3HG2 THR 58 -5.650 3.407 -11.599 448 HG22 THR 58 1HG2 THR 58 -4.939 1.902 -12.233 449 HG23 THR 58 2HG2 THR 58 -6.698 2.040 -12.029 450 H GLN 59 H GLN 59 -3.489 -0.218 -9.009 451 HA GLN 59 HA GLN 59 -1.457 -0.102 -11.301 452 HB2 GLN 59 1HB GLN 59 -1.089 -2.022 -8.926 453 HB3 GLN 59 2HB GLN 59 -0.204 -2.002 -10.436 454 HG2 GLN 59 1HG GLN 59 0.522 0.443 -9.841 455 HG3 GLN 59 2HG GLN 59 -0.148 0.161 -8.251 456 HE21 GLN 59 1HE2 GLN 59 0.788 -2.089 -7.239 457 HE22 GLN 59 2HE2 GLN 59 2.602 -2.175 -7.504 458 H ARG 60 H ARG 60 -2.637 -0.911 -12.876 459 HA ARG 60 HA ARG 60 -3.549 -3.855 -12.588 460 HE ARG 60 HE ARG 60 -6.526 -5.312 -16.471 461 HB2 ARG 60 1HB ARG 60 -5.315 -2.251 -13.363 462 HB3 ARG 60 2HB ARG 60 -4.313 -1.763 -14.733 463 HG2 ARG 60 1HG ARG 60 -4.423 -4.081 -15.688 464 HG3 ARG 60 2HG ARG 60 -5.318 -4.659 -14.277 465 HD2 ARG 60 1HD ARG 60 -7.190 -3.011 -14.785 466 HD3 ARG 60 2HD ARG 60 -6.276 -2.421 -16.199 467 HH11 ARG 60 2HH2 ARG 60 -8.585 -2.509 -16.583 468 HH12 ARG 60 1HH2 ARG 60 -9.764 -3.330 -17.712 469 HH21 ARG 60 2HH1 ARG 60 -7.886 -6.214 -17.750 470 HH22 ARG 60 1HH1 ARG 60 -9.365 -5.328 -18.326 471 H VAL 61 H VAL 61 -1.091 -3.697 -12.343 472 HA VAL 61 HA VAL 61 0.388 -3.511 -14.903 473 HB VAL 61 HB VAL 61 0.958 -2.242 -12.848 474 HG11 VAL 61 1HG1 VAL 61 2.414 -4.767 -11.820 475 HG12 VAL 61 2HG1 VAL 61 2.459 -3.126 -11.145 476 HG13 VAL 61 3HG1 VAL 61 0.961 -4.060 -11.076 477 HG21 VAL 61 3HG2 VAL 61 3.406 -2.296 -13.292 478 HG22 VAL 61 1HG2 VAL 61 3.220 -3.803 -14.222 479 HG23 VAL 61 2HG2 VAL 61 2.434 -2.311 -14.777 480 H ASP 62 H ASP 62 0.514 -6.023 -12.362 481 HA ASP 62 HA ASP 62 0.747 -8.071 -14.630 482 HB2 ASP 62 1HB ASP 62 2.869 -7.701 -13.117 483 HB3 ASP 62 2HB ASP 62 1.998 -8.517 -11.847 484 H ARG 63 H ARG 63 -0.776 -9.456 -14.663 485 HA ARG 63 HA ARG 63 -2.843 -9.847 -12.526 486 HE ARG 63 HE ARG 63 -0.023 -11.511 -14.931 487 HB2 ARG 63 1HB ARG 63 -3.870 -11.491 -14.115 488 HB3 ARG 63 2HB ARG 63 -3.837 -9.802 -14.521 489 HG2 ARG 63 1HG ARG 63 -3.602 -11.135 -16.462 490 HG3 ARG 63 2HG ARG 63 -2.238 -10.073 -16.307 491 HD2 ARG 63 1HD ARG 63 -2.069 -13.052 -15.475 492 HD3 ARG 63 2HD ARG 63 -1.940 -12.544 -17.142 493 HH11 ARG 63 2HH2 ARG 63 -0.354 -12.663 -18.250 494 HH12 ARG 63 1HH2 ARG 63 1.447 -12.303 -18.516 495 HH21 ARG 63 2HH1 ARG 63 1.817 -11.045 -15.364 496 HH22 ARG 63 1HH1 ARG 63 2.579 -11.404 -17.046 497 H LEU 64 H LEU 64 -0.901 -10.557 -11.054 498 HA LEU 64 HA LEU 64 -0.986 -13.531 -10.753 499 HG LEU 64 HG LEU 64 1.488 -11.836 -10.665 500 HB2 LEU 64 1HB LEU 64 -0.217 -11.256 -8.830 501 HB3 LEU 64 2HB LEU 64 -0.216 -12.936 -8.332 502 HD11 LEU 64 1HD1 LEU 64 2.251 -12.436 -7.725 503 HD12 LEU 64 2HD1 LEU 64 3.395 -12.048 -9.033 504 HD13 LEU 64 3HD1 LEU 64 2.206 -10.849 -8.518 505 HD21 LEU 64 3HD2 LEU 64 2.728 -14.050 -10.363 506 HD22 LEU 64 1HD2 LEU 64 1.462 -14.592 -9.241 507 HD23 LEU 64 2HD2 LEU 64 1.065 -14.235 -10.944 508 H ALA 65 H ALA 65 -2.277 -11.696 -7.976 509 HA ALA 65 HA ALA 65 -5.099 -12.007 -9.083 510 HB1 ALA 65 3HB ALA 65 -4.710 -13.938 -7.560 511 HB2 ALA 65 1HB ALA 65 -4.248 -12.858 -6.237 512 HB3 ALA 65 2HB ALA 65 -5.902 -12.820 -6.865 513 H ARG 66 H ARG 66 -5.077 -9.776 -9.554 514 HA ARG 66 HA ARG 66 -5.126 -7.740 -7.483 515 HE ARG 66 HE ARG 66 -1.321 -6.613 -10.484 516 HB2 ARG 66 1HB ARG 66 -2.792 -8.302 -7.124 517 HB3 ARG 66 2HB ARG 66 -2.377 -8.156 -8.809 518 HG2 ARG 66 1HG ARG 66 -3.526 -5.754 -7.229 519 HG3 ARG 66 2HG ARG 66 -1.877 -6.248 -6.975 520 HD2 ARG 66 1HD ARG 66 -3.072 -5.205 -9.613 521 HD3 ARG 66 2HD ARG 66 -1.969 -4.371 -8.574 522 HH11 ARG 66 2HH2 ARG 66 0.054 -4.779 -7.764 523 HH12 ARG 66 1HH2 ARG 66 1.475 -5.962 -7.768 524 HH21 ARG 66 2HH1 ARG 66 0.300 -7.711 -10.473 525 HH22 ARG 66 1HH1 ARG 66 1.607 -7.513 -9.189 526 H THR 67 H THR 67 -6.777 -6.998 -8.728 527 HA THR 67 HA THR 67 -5.443 -4.770 -10.344 528 HB THR 67 HB THR 67 -7.680 -3.613 -10.377 529 HG1 THR 67 HG1 THR 67 -9.484 -5.104 -10.418 530 HG21 THR 67 3HG2 THR 67 -6.696 -4.750 -12.422 531 HG22 THR 67 1HG2 THR 67 -7.610 -6.220 -12.024 532 HG23 THR 67 2HG2 THR 67 -8.461 -4.710 -12.438 533 H GLU 68 H GLU 68 -4.578 -3.311 -9.038 534 HA GLU 68 HA GLU 68 -5.233 -3.180 -6.091 535 HB2 GLU 68 1HB GLU 68 -3.009 -2.224 -7.911 536 HB3 GLU 68 2HB GLU 68 -3.397 -1.117 -6.644 537 HG2 GLU 68 1HG GLU 68 -2.882 -2.671 -4.864 538 HG3 GLU 68 2HG GLU 68 -2.812 -4.049 -5.940 539 H ILE 69 H ILE 69 -7.103 -2.067 -5.691 540 HA ILE 69 HA ILE 69 -7.457 0.739 -6.851 541 HB ILE 69 HB ILE 69 -9.264 -0.856 -4.911 542 HG12 ILE 69 1HG1 ILE 69 -10.935 -0.564 -6.908 543 HG13 ILE 69 2HG1 ILE 69 -9.561 -0.176 -7.928 544 HG21 ILE 69 1HG2 ILE 69 -9.435 1.638 -4.507 545 HG22 ILE 69 2HG2 ILE 69 -9.750 1.906 -6.241 546 HG23 ILE 69 3HG2 ILE 69 -10.895 0.976 -5.229 547 HD11 ILE 69 3HD1 ILE 69 -9.914 -2.845 -6.375 548 HD12 ILE 69 1HD1 ILE 69 -10.385 -2.573 -8.064 549 HD13 ILE 69 2HD1 ILE 69 -8.681 -2.523 -7.616 550 H LYS 70 H LYS 70 -6.050 2.129 -5.930 551 HA LYS 70 HA LYS 70 -5.366 1.871 -2.976 552 HB2 LYS 70 1HB LYS 70 -3.075 2.188 -3.259 553 HB3 LYS 70 2HB LYS 70 -3.642 0.767 -4.112 554 HG2 LYS 70 1HG LYS 70 -3.593 2.336 -6.275 555 HG3 LYS 70 2HG LYS 70 -2.613 3.415 -5.303 556 HD2 LYS 70 1HD LYS 70 -2.028 0.463 -5.967 557 HD3 LYS 70 2HD LYS 70 -1.349 1.855 -6.799 558 HE2 LYS 70 1HE LYS 70 -0.115 2.572 -4.723 559 HE3 LYS 70 2HE LYS 70 -0.887 1.274 -3.793 560 HZ1 LYS 70 3HZ LYS 70 1.341 0.481 -4.691 561 HZ2 LYS 70 1HZ LYS 70 0.079 -0.417 -5.368 562 HZ3 LYS 70 2HZ LYS 70 0.842 0.808 -6.217 563 H ASN 71 H ASN 71 -6.955 3.353 -2.667 564 HA ASN 71 HA ASN 71 -6.450 6.219 -3.510 565 HB2 ASN 71 1HB ASN 71 -8.478 6.854 -2.405 566 HB3 ASN 71 2HB ASN 71 -8.678 5.635 -3.624 567 HD21 ASN 71 1HD2 ASN 71 -8.672 6.017 -0.136 568 HD22 ASN 71 2HD2 ASN 71 -9.822 4.619 0.090 569 H PHE 72 H PHE 72 -4.403 6.295 -2.659 570 HA PHE 72 HA PHE 72 -4.075 6.552 0.368 571 HD1 PHE 72 HD2 PHE 72 -2.162 5.244 1.622 572 HD2 PHE 72 HD1 PHE 72 -0.081 7.728 -1.191 573 HE1 PHE 72 HE2 PHE 72 -0.316 5.498 3.226 574 HE2 PHE 72 HE1 PHE 72 1.798 7.931 0.396 575 HZ PHE 72 HZ PHE 72 1.690 6.817 2.603 576 HB2 PHE 72 1HB PHE 72 -2.524 5.127 -1.019 577 HB3 PHE 72 2HB PHE 72 -2.027 6.527 -1.945 578 H THR 73 H THR 73 -4.721 8.504 1.051 579 HA THR 73 HA THR 73 -4.211 11.040 -0.558 580 HB THR 73 HB THR 73 -5.763 10.706 2.044 581 HG1 THR 73 HG1 THR 73 -6.844 11.821 -0.285 582 HG21 THR 73 3HG2 THR 73 -6.404 13.121 1.619 583 HG22 THR 73 1HG2 THR 73 -4.655 13.000 1.933 584 HG23 THR 73 2HG2 THR 73 -5.229 13.195 0.282 585 H VAL 74 H VAL 74 -2.185 11.651 -0.422 586 HA VAL 74 HA VAL 74 -0.873 11.893 2.331 587 HB VAL 74 HB VAL 74 0.134 10.001 1.418 588 HG11 VAL 74 1HG1 VAL 74 1.550 9.980 -0.663 589 HG12 VAL 74 2HG1 VAL 74 -0.165 10.243 -1.050 590 HG13 VAL 74 3HG1 VAL 74 0.969 11.610 -1.061 591 HG21 VAL 74 3HG2 VAL 74 1.673 11.735 2.619 592 HG22 VAL 74 1HG2 VAL 74 2.518 10.582 1.559 593 HG23 VAL 74 2HG2 VAL 74 2.204 12.254 1.022 594 H PHE 75 H PHE 75 -0.046 13.719 2.813 595 HA PHE 75 HA PHE 75 -0.429 16.064 0.907 596 HD1 PHE 75 HD2 PHE 75 -2.164 18.271 1.879 597 HD2 PHE 75 HD1 PHE 75 -2.412 14.520 3.993 598 HE1 PHE 75 HE2 PHE 75 -4.614 18.291 1.655 599 HE2 PHE 75 HE1 PHE 75 -4.854 14.584 3.815 600 HZ PHE 75 HZ PHE 75 -5.971 16.455 2.627 601 HB2 PHE 75 1HB PHE 75 -0.227 15.860 3.979 602 HB3 PHE 75 2HB PHE 75 -0.174 17.392 3.155 603 H PHE 76 H PHE 76 1.108 17.397 0.306 604 HA PHE 76 HA PHE 76 3.957 17.123 1.352 605 HD1 PHE 76 HD1 PHE 76 5.494 14.978 0.054 606 HD2 PHE 76 HD2 PHE 76 2.034 15.616 -2.392 607 HE1 PHE 76 HE1 PHE 76 5.284 12.525 -0.352 608 HE2 PHE 76 HE2 PHE 76 1.857 13.221 -2.800 609 HZ PHE 76 HZ PHE 76 3.469 11.652 -1.735 610 HB2 PHE 76 1HB PHE 76 3.269 17.527 -1.633 611 HB3 PHE 76 2HB PHE 76 4.850 17.318 -0.921 612 H GLU 77 H GLU 77 5.162 19.072 1.337 613 HA GLU 77 HA GLU 77 3.696 21.686 1.095 614 HB2 GLU 77 1HB GLU 77 6.615 20.970 1.655 615 HB3 GLU 77 2HB GLU 77 6.283 22.550 0.996 616 HG2 GLU 77 1HG GLU 77 6.354 22.925 3.272 617 HG3 GLU 77 2HG GLU 77 4.653 23.040 2.877 618 H ASN 78 H ASN 78 6.395 20.498 -0.740 619 HA ASN 78 HA ASN 78 4.714 20.561 -3.179 620 HB2 ASN 78 1HB ASN 78 6.114 22.627 -3.473 621 HB3 ASN 78 2HB ASN 78 7.584 21.672 -3.450 622 HD21 ASN 78 1HD2 ASN 78 6.051 23.311 -5.558 623 HD22 ASN 78 2HD2 ASN 78 6.179 22.178 -7.006 624 H GLU 79 H GLU 79 8.119 19.713 -2.384 625 HA GLU 79 HA GLU 79 7.533 16.821 -3.138 626 HB2 GLU 79 1HB GLU 79 10.143 18.395 -2.693 627 HB3 GLU 79 2HB GLU 79 10.155 16.660 -2.687 628 HG2 GLU 79 1HG GLU 79 9.214 18.377 -5.061 629 HG3 GLU 79 2HG GLU 79 10.754 17.546 -4.905 630 H GLN 80 H GLN 80 8.329 18.641 -0.156 631 HA GLN 80 HA GLN 80 9.258 16.148 1.191 632 HB2 GLN 80 1HB GLN 80 9.604 17.359 3.207 633 HB3 GLN 80 2HB GLN 80 10.409 18.111 1.842 634 HG2 GLN 80 1HG GLN 80 8.703 19.938 1.751 635 HG3 GLN 80 2HG GLN 80 7.726 19.154 2.983 636 HE21 GLN 80 1HE2 GLN 80 7.836 20.592 4.626 637 HE22 GLN 80 2HE2 GLN 80 9.446 21.202 5.321 638 H VAL 81 H VAL 81 8.239 14.855 2.505 639 HA VAL 81 HA VAL 81 5.287 14.879 2.255 640 HB VAL 81 HB VAL 81 6.694 12.662 3.816 641 HG11 VAL 81 1HG1 VAL 81 4.243 12.569 3.668 642 HG12 VAL 81 2HG1 VAL 81 4.288 12.707 1.902 643 HG13 VAL 81 3HG1 VAL 81 4.931 11.252 2.701 644 HG21 VAL 81 3HG2 VAL 81 6.972 11.398 1.548 645 HG22 VAL 81 1HG2 VAL 81 7.005 13.011 0.777 646 HG23 VAL 81 2HG2 VAL 81 8.195 12.577 1.986 647 H VAL 82 H VAL 82 3.806 15.267 3.655 648 HA VAL 82 HA VAL 82 4.579 16.230 6.417 649 HB VAL 82 HB VAL 82 2.146 16.854 4.648 650 HG11 VAL 82 1HG1 VAL 82 2.993 18.195 7.313 651 HG12 VAL 82 2HG1 VAL 82 1.718 18.765 6.212 652 HG13 VAL 82 3HG1 VAL 82 1.526 17.231 7.070 653 HG21 VAL 82 3HG2 VAL 82 3.241 18.932 4.102 654 HG22 VAL 82 1HG2 VAL 82 4.445 18.778 5.402 655 HG23 VAL 82 2HG2 VAL 82 4.556 17.765 3.978 656 H ARG 83 H ARG 83 1.672 14.582 5.100 657 HA ARG 83 HA ARG 83 1.785 12.424 7.088 658 HE ARG 83 HE ARG 83 -3.029 13.343 6.745 659 HB2 ARG 83 1HB ARG 83 -0.474 12.775 8.196 660 HB3 ARG 83 2HB ARG 83 0.890 13.700 8.760 661 HG2 ARG 83 1HG ARG 83 -1.107 15.053 8.819 662 HG3 ARG 83 2HG ARG 83 0.110 15.749 7.779 663 HD2 ARG 83 1HD ARG 83 -1.745 16.135 6.465 664 HD3 ARG 83 2HD ARG 83 -1.169 14.669 5.771 665 HH11 ARG 83 2HH2 ARG 83 -3.115 16.628 7.936 666 HH12 ARG 83 1HH2 ARG 83 -4.941 16.602 8.107 667 HH21 ARG 83 2HH1 ARG 83 -5.107 13.489 6.640 668 HH22 ARG 83 1HH1 ARG 83 -6.002 14.864 7.477 669 H TRP 84 H TRP 84 -0.170 10.960 6.940 670 HA TRP 84 HA TRP 84 -1.137 10.735 4.147 671 HD1 TRP 84 HD1 TRP 84 0.173 6.691 5.753 672 HE1 TRP 84 HE1 TRP 84 2.389 5.736 6.828 673 HE3 TRP 84 HE3 TRP 84 3.282 10.554 4.445 674 HZ2 TRP 84 HZ2 TRP 84 5.012 6.709 7.147 675 HZ3 TRP 84 HZ3 TRP 84 5.674 10.434 5.101 676 HH2 TRP 84 HH2 TRP 84 6.528 8.556 6.407 677 HB2 TRP 84 1HB TRP 84 -0.032 8.669 3.605 678 HB3 TRP 84 2HB TRP 84 1.065 10.016 3.757 679 H GLU 85 H GLU 85 -2.778 9.560 3.838 680 HA GLU 85 HA GLU 85 -3.855 7.663 6.013 681 HB2 GLU 85 1HB GLU 85 -5.437 9.687 4.285 682 HB3 GLU 85 2HB GLU 85 -6.126 8.499 5.372 683 HG2 GLU 85 1HG GLU 85 -6.196 10.303 6.772 684 HG3 GLU 85 2HG GLU 85 -4.643 9.661 7.281 685 H GLY 86 H GLY 86 -3.946 5.712 5.266 686 HA2 GLY 86 1HA GLY 86 -4.283 5.111 2.270 687 HA3 GLY 86 2HA GLY 86 -3.318 4.192 3.392 688 H ASP 87 H ASP 87 -6.539 4.799 2.280 689 HA ASP 87 HA ASP 87 -7.315 1.948 3.161 690 HB2 ASP 87 1HB ASP 87 -9.036 4.267 2.081 691 HB3 ASP 87 2HB ASP 87 -9.584 2.598 2.044 692 H TYR 88 H TYR 88 -6.344 0.654 1.819 693 HA TYR 88 HA TYR 88 -6.257 1.108 -1.183 694 HD1 TYR 88 HD2 TYR 88 -4.340 -0.007 2.164 695 HD2 TYR 88 HD1 TYR 88 -2.102 2.927 -0.087 696 HE1 TYR 88 HE2 TYR 88 -2.776 0.220 4.001 697 HE2 TYR 88 HE1 TYR 88 -0.508 3.088 1.764 698 HH TYR 88 HH TYR 88 -1.311 1.901 4.892 699 HB2 TYR 88 1HB TYR 88 -3.786 1.116 -1.215 700 HB3 TYR 88 2HB TYR 88 -4.578 2.530 -0.550 701 H PHE 89 H PHE 89 -6.985 -0.753 -1.878 702 HA PHE 89 HA PHE 89 -7.190 -3.014 -2.403 703 HD1 PHE 89 HD2 PHE 89 -6.814 -4.472 -4.374 704 HD2 PHE 89 HD1 PHE 89 -2.956 -4.751 -2.461 705 HE1 PHE 89 HE2 PHE 89 -6.455 -6.673 -5.393 706 HE2 PHE 89 HE1 PHE 89 -2.612 -6.941 -3.489 707 HZ PHE 89 HZ PHE 89 -4.355 -7.928 -4.958 708 HB2 PHE 89 1HB PHE 89 -5.166 -2.298 -3.515 709 HB3 PHE 89 2HB PHE 89 -4.169 -2.754 -2.153 710 HA PRO 90 HA PRO 90 -7.185 -5.066 1.758 711 HB2 PRO 90 1HB PRO 90 -9.491 -6.566 1.575 712 HB3 PRO 90 2HB PRO 90 -9.481 -4.794 1.705 713 HG2 PRO 90 1HG PRO 90 -9.665 -6.451 -0.894 714 HG3 PRO 90 2HG PRO 90 -10.803 -5.188 -0.347 715 HD2 PRO 90 1HD PRO 90 -8.741 -4.598 -2.095 716 HD3 PRO 90 2HD PRO 90 -9.210 -3.415 -0.829 717 H SER 91 H SER 91 -5.252 -5.876 0.496 718 HA SER 91 HA SER 91 -4.778 -8.685 1.261 719 HG SER 91 HG SER 91 -3.190 -9.640 -1.459 720 HB2 SER 91 1HB SER 91 -5.928 -9.178 -0.924 721 HB3 SER 91 2HB SER 91 -4.784 -8.161 -1.796 722 H GLN 92 H GLN 92 -3.055 -7.832 2.340 723 HA GLN 92 HA GLN 92 -1.165 -5.890 1.248 724 HB2 GLN 92 1HB GLN 92 -0.041 -6.030 3.359 725 HB3 GLN 92 2HB GLN 92 -1.748 -6.082 3.604 726 HG2 GLN 92 1HG GLN 92 -1.480 -7.864 4.948 727 HG3 GLN 92 2HG GLN 92 -1.135 -8.865 3.563 728 HE21 GLN 92 1HE2 GLN 92 0.934 -9.766 3.462 729 HE22 GLN 92 2HE2 GLN 92 2.196 -9.367 4.750 730 H ASP 93 H ASP 93 -1.111 -7.510 -0.595 731 HA ASP 93 HA ASP 93 1.264 -9.186 -1.214 732 HB2 ASP 93 1HB ASP 93 -1.159 -10.486 0.233 733 HB3 ASP 93 2HB ASP 93 -0.127 -11.379 -0.876 734 H GLU 94 H GLU 94 0.875 -8.597 -3.307 735 HA GLU 94 HA GLU 94 -1.669 -8.745 -4.707 736 HB2 GLU 94 1HB GLU 94 -0.420 -8.317 -6.739 737 HB3 GLU 94 2HB GLU 94 0.163 -7.318 -5.426 738 HG2 GLU 94 1HG GLU 94 2.176 -8.887 -5.161 739 HG3 GLU 94 2HG GLU 94 1.572 -9.879 -6.480 740 H GLN 95 H GLN 95 -1.242 -11.234 -3.452 741 HA GLN 95 HA GLN 95 -1.927 -13.135 -5.701 742 HB2 GLN 95 1HB GLN 95 0.682 -12.987 -5.487 743 HB3 GLN 95 2HB GLN 95 0.520 -13.760 -3.913 744 HG2 GLN 95 1HG GLN 95 -0.622 -15.747 -5.105 745 HG3 GLN 95 2HG GLN 95 -0.318 -14.969 -6.646 746 HE21 GLN 95 1HE2 GLN 95 2.230 -14.259 -6.700 747 HE22 GLN 95 2HE2 GLN 95 3.302 -15.653 -6.176 748 H LEU 96 H LEU 96 -3.747 -12.570 -4.170 749 HA LEU 96 HA LEU 96 -4.012 -14.444 -1.865 750 HG LEU 96 HG LEU 96 -7.006 -13.047 -3.749 751 HB2 LEU 96 1HB LEU 96 -6.019 -13.484 -1.312 752 HB3 LEU 96 2HB LEU 96 -4.892 -12.205 -1.652 753 HD11 LEU 96 1HD1 LEU 96 -8.216 -12.586 -1.606 754 HD12 LEU 96 2HD1 LEU 96 -7.375 -11.029 -1.432 755 HD13 LEU 96 3HD1 LEU 96 -8.508 -11.289 -2.777 756 HD21 LEU 96 3HD2 LEU 96 -5.233 -11.461 -4.575 757 HD22 LEU 96 1HD2 LEU 96 -6.793 -10.651 -4.475 758 HD23 LEU 96 2HD2 LEU 96 -5.558 -10.354 -3.235 759 H ALA 97 H ALA 97 -5.290 -16.220 -1.671 760 HA ALA 97 HA ALA 97 -6.002 -17.729 -4.125 761 HB1 ALA 97 3HB ALA 97 -6.391 -18.431 -1.146 762 HB2 ALA 97 1HB ALA 97 -6.506 -19.553 -2.514 763 HB3 ALA 97 2HB ALA 97 -4.955 -18.786 -2.141 764 H LYS 98 H LYS 98 -7.519 -16.053 -4.814 765 HA LYS 98 HA LYS 98 -10.369 -16.372 -3.717 766 HB2 LYS 98 1HB LYS 98 -9.131 -14.114 -3.916 767 HB3 LYS 98 2HB LYS 98 -9.265 -14.230 -5.653 768 HG2 LYS 98 1HG LYS 98 -11.519 -14.079 -3.543 769 HG3 LYS 98 2HG LYS 98 -10.941 -12.759 -4.525 770 HD2 LYS 98 1HD LYS 98 -12.541 -15.204 -5.495 771 HD3 LYS 98 2HD LYS 98 -13.138 -13.582 -5.229 772 HE2 LYS 98 1HE LYS 98 -11.713 -12.669 -7.090 773 HE3 LYS 98 2HE LYS 98 -10.972 -14.257 -7.348 774 HZ1 LYS 98 3HZ LYS 98 -13.962 -13.890 -7.523 775 HZ2 LYS 98 1HZ LYS 98 -12.996 -13.801 -8.854 776 HZ3 LYS 98 2HZ LYS 98 -13.098 -15.209 -8.004 777 H ALA 99 H ALA 99 -11.642 -17.719 -4.786 778 HA ALA 99 HA ALA 99 -11.091 -19.279 -6.998 779 HB1 ALA 99 3HB ALA 99 -13.897 -18.410 -6.056 780 HB2 ALA 99 1HB ALA 99 -13.525 -19.852 -7.023 781 HB3 ALA 99 2HB ALA 99 -12.893 -19.718 -5.377 782 H ALA 100 H ALA 100 -10.484 -18.638 -8.896 783 HA ALA 100 HA ALA 100 -12.302 -17.111 -10.813 784 HB1 ALA 100 3HB ALA 100 -10.210 -15.701 -11.393 785 HB2 ALA 100 1HB ALA 100 -10.696 -15.483 -9.699 786 HB3 ALA 100 2HB ALA 100 -9.325 -16.541 -10.093 787 HA PRO 101 HA PRO 101 -10.580 -20.226 -13.702 788 HB2 PRO 101 1HB PRO 101 -11.086 -19.135 -16.188 789 HB3 PRO 101 2HB PRO 101 -12.365 -19.597 -15.047 790 HG2 PRO 101 1HG PRO 101 -11.153 -16.780 -15.414 791 HG3 PRO 101 2HG PRO 101 -12.878 -17.225 -15.523 792 HD2 PRO 101 1HD PRO 101 -11.810 -16.257 -13.157 793 HD3 PRO 101 2HD PRO 101 -13.042 -17.557 -13.120 794 H LYS 102 H LYS 102 -8.588 -19.308 -12.516 795 HA LYS 102 HA LYS 102 -6.308 -19.565 -14.413 796 HB2 LYS 102 1HB LYS 102 -6.881 -17.023 -14.466 797 HB3 LYS 102 2HB LYS 102 -6.432 -16.953 -12.768 798 HG2 LYS 102 1HG LYS 102 -4.058 -17.907 -13.575 799 HG3 LYS 102 2HG LYS 102 -4.671 -17.700 -15.203 800 HD2 LYS 102 1HD LYS 102 -3.402 -15.750 -14.836 801 HD3 LYS 102 2HD LYS 102 -5.057 -15.213 -14.690 802 HE2 LYS 102 1HE LYS 102 -3.926 -14.116 -12.919 803 HE3 LYS 102 2HE LYS 102 -4.831 -15.374 -12.105 804 HZ1 LYS 102 3HZ LYS 102 -1.867 -15.549 -12.782 805 HZ2 LYS 102 1HZ LYS 102 -2.517 -15.277 -11.295 806 HZ3 LYS 102 2HZ LYS 102 -2.705 -16.746 -12.011 807 H GLN 103 H GLN 103 -4.469 -20.268 -13.321 808 HA GLN 103 HA GLN 103 -4.530 -20.938 -10.408 809 HB2 GLN 103 1HB GLN 103 -3.350 -22.298 -12.239 810 HB3 GLN 103 2HB GLN 103 -2.106 -21.061 -12.319 811 HG2 GLN 103 1HG GLN 103 -2.912 -22.634 -9.764 812 HG3 GLN 103 2HG GLN 103 -1.703 -23.181 -10.888 813 HE21 GLN 103 1HE2 GLN 103 0.367 -22.251 -10.794 814 HE22 GLN 103 2HE2 GLN 103 0.787 -20.966 -9.542 815 H PHE 104 H PHE 104 -4.446 -19.367 -9.161 816 HA PHE 104 HA PHE 104 -3.933 -16.664 -9.616 817 HD1 PHE 104 HD1 PHE 104 -4.597 -19.885 -6.903 818 HD2 PHE 104 HD2 PHE 104 -2.885 -16.192 -5.491 819 HE1 PHE 104 HE1 PHE 104 -3.729 -21.038 -4.913 820 HE2 PHE 104 HE2 PHE 104 -2.016 -17.359 -3.509 821 HZ PHE 104 HZ PHE 104 -2.427 -19.787 -3.215 822 HB2 PHE 104 1HB PHE 104 -4.348 -16.133 -7.393 823 HB3 PHE 104 2HB PHE 104 -5.338 -17.491 -7.806 824 H GLY 105 H GLY 105 -1.577 -18.726 -8.229 825 HA2 GLY 105 1HA GLY 105 0.631 -16.584 -8.234 826 HA3 GLY 105 2HA GLY 105 0.817 -18.202 -7.603 827 H ARG 106 H ARG 106 -0.041 -16.673 -10.641 828 HA ARG 106 HA ARG 106 2.302 -17.917 -12.070 829 HE ARG 106 HE ARG 106 1.675 -21.587 -16.265 830 HB2 ARG 106 1HB ARG 106 0.417 -19.693 -12.097 831 HB3 ARG 106 2HB ARG 106 -0.546 -18.596 -13.073 832 HG2 ARG 106 1HG ARG 106 1.472 -18.565 -14.762 833 HG3 ARG 106 2HG ARG 106 2.213 -19.827 -13.792 834 HD2 ARG 106 1HD ARG 106 0.373 -21.403 -14.231 835 HD3 ARG 106 2HD ARG 106 -0.642 -20.180 -14.966 836 HH11 ARG 106 2HH2 ARG 106 -0.283 -18.732 -16.452 837 HH12 ARG 106 1HH2 ARG 106 0.370 -18.319 -18.125 838 HH21 ARG 106 2HH1 ARG 106 2.242 -21.177 -18.239 839 HH22 ARG 106 1HH1 ARG 106 1.573 -19.716 -19.101 840 H ASN 107 H ASN 107 3.082 -16.213 -13.098 841 HA ASN 107 HA ASN 107 1.265 -14.320 -14.669 842 HB2 ASN 107 1HB ASN 107 2.915 -12.591 -14.235 843 HB3 ASN 107 2HB ASN 107 2.059 -13.151 -12.825 844 HD21 ASN 107 1HD2 ASN 107 4.195 -11.560 -12.607 845 HD22 ASN 107 2HD2 ASN 107 5.515 -12.562 -11.780 846 H LEU 108 H LEU 108 1.460 -15.852 -16.408 847 HA LEU 108 HA LEU 108 3.485 -14.823 -18.343 848 HG LEU 108 HG LEU 108 5.711 -17.857 -18.815 849 HB2 LEU 108 1HB LEU 108 4.649 -16.736 -17.106 850 HB3 LEU 108 2HB LEU 108 3.498 -17.860 -17.770 851 HD11 LEU 108 1HD1 LEU 108 5.100 -17.975 -21.174 852 HD12 LEU 108 2HD1 LEU 108 3.757 -18.611 -20.212 853 HD13 LEU 108 3HD1 LEU 108 3.647 -16.994 -20.935 854 HD21 LEU 108 3HD2 LEU 108 5.142 -15.057 -19.980 855 HD22 LEU 108 1HD2 LEU 108 6.259 -15.401 -18.641 856 HD23 LEU 108 2HD2 LEU 108 6.574 -16.069 -20.254 857 H ALA 109 H ALA 109 2.031 -14.141 -19.779 858 HA ALA 109 HA ALA 109 0.116 -16.215 -21.051 859 HB1 ALA 109 3HB ALA 109 -1.238 -14.220 -21.816 860 HB2 ALA 109 1HB ALA 109 -1.154 -14.382 -20.053 861 HB3 ALA 109 2HB ALA 109 -0.169 -13.146 -20.878 862 H ARG 110 H ARG 110 1.079 -13.245 -22.630 863 HA ARG 110 HA ARG 110 3.668 -14.529 -23.471 864 HE ARG 110 HE ARG 110 6.173 -13.607 -27.596 865 HB2 ARG 110 1HB ARG 110 2.066 -14.508 -25.529 866 HB3 ARG 110 2HB ARG 110 2.229 -12.763 -25.541 867 HG2 ARG 110 1HG ARG 110 4.431 -14.905 -25.888 868 HG3 ARG 110 2HG ARG 110 3.750 -13.862 -27.131 869 HD2 ARG 110 1HD ARG 110 4.782 -11.821 -25.944 870 HD3 ARG 110 2HD ARG 110 5.485 -12.927 -24.749 871 HH11 ARG 110 2HH2 ARG 110 7.242 -11.878 -24.703 872 HH12 ARG 110 1HH2 ARG 110 8.954 -11.871 -25.327 873 HH21 ARG 110 2HH1 ARG 110 8.138 -13.542 -28.203 874 HH22 ARG 110 1HH1 ARG 110 9.422 -12.750 -27.191 875 H ASP 111 H ASP 111 4.362 -13.433 -21.662 876 HA ASP 111 HA ASP 111 4.006 -10.571 -21.277 877 HB2 ASP 111 1HB ASP 111 5.690 -12.721 -19.859 878 HB3 ASP 111 2HB ASP 111 5.795 -11.039 -19.407 879 H LYS 112 H LYS 112 5.709 -9.187 -20.759 880 HA LYS 112 HA LYS 112 8.315 -9.289 -22.218 881 HB2 LYS 112 1HB LYS 112 6.817 -7.942 -23.739 882 HB3 LYS 112 2HB LYS 112 6.432 -6.840 -22.421 883 HG2 LYS 112 1HG LYS 112 8.897 -6.186 -22.266 884 HG3 LYS 112 2HG LYS 112 9.262 -7.283 -23.607 885 HD2 LYS 112 1HD LYS 112 7.665 -5.959 -25.109 886 HD3 LYS 112 2HD LYS 112 7.239 -4.943 -23.746 887 HE2 LYS 112 1HE LYS 112 8.751 -3.627 -24.982 888 HE3 LYS 112 2HE LYS 112 9.654 -4.133 -23.559 889 HZ1 LYS 112 3HZ LYS 112 10.723 -5.920 -24.977 890 HZ2 LYS 112 1HZ LYS 112 9.862 -5.443 -26.287 891 HZ3 LYS 112 2HZ LYS 112 10.997 -4.444 -25.645 892 H LYS 113 H LYS 113 8.843 -9.841 -20.212 893 HA LYS 113 HA LYS 113 7.671 -8.923 -17.890 894 HB2 LYS 113 1HB LYS 113 9.000 -11.181 -18.494 895 HB3 LYS 113 2HB LYS 113 10.324 -10.412 -17.668 896 HG2 LYS 113 1HG LYS 113 9.397 -11.368 -15.793 897 HG3 LYS 113 2HG LYS 113 8.392 -9.942 -15.752 898 HD2 LYS 113 1HD LYS 113 6.887 -11.609 -17.496 899 HD3 LYS 113 2HD LYS 113 7.772 -12.800 -16.595 900 HE2 LYS 113 1HE LYS 113 5.891 -12.664 -15.254 901 HE3 LYS 113 2HE LYS 113 6.879 -11.488 -14.400 902 HZ1 LYS 113 3HZ LYS 113 5.717 -9.719 -15.960 903 HZ2 LYS 113 1HZ LYS 113 4.760 -10.922 -16.513 904 HZ3 LYS 113 2HZ LYS 113 4.671 -10.431 -14.883 905 H LYS 114 H LYS 114 8.042 -6.625 -18.073 906 HA LYS 114 HA LYS 114 9.645 -6.032 -15.555 907 HB2 LYS 114 1HB LYS 114 11.182 -5.181 -17.080 908 HB3 LYS 114 2HB LYS 114 9.991 -4.466 -18.141 909 HG2 LYS 114 1HG LYS 114 11.335 -2.792 -16.922 910 HG3 LYS 114 2HG LYS 114 9.617 -2.587 -16.817 911 HD2 LYS 114 1HD LYS 114 10.158 -4.040 -14.404 912 HD3 LYS 114 2HD LYS 114 11.652 -3.187 -14.664 913 HE2 LYS 114 1HE LYS 114 10.315 -1.759 -13.264 914 HE3 LYS 114 2HE LYS 114 10.341 -0.980 -14.844 915 HZ1 LYS 114 3HZ LYS 114 7.999 -1.000 -14.295 916 HZ2 LYS 114 1HZ LYS 114 8.101 -2.370 -15.214 917 HZ3 LYS 114 2HZ LYS 114 8.015 -2.486 -13.600 918 H GLN 115 H GLN 115 7.465 -6.575 -14.909 919 HA GLN 115 HA GLN 115 5.514 -4.274 -14.994 920 HB2 GLN 115 1HB GLN 115 5.181 -7.192 -14.088 921 HB3 GLN 115 2HB GLN 115 3.979 -5.949 -13.832 922 HG2 GLN 115 1HG GLN 115 3.303 -7.143 -15.733 923 HG3 GLN 115 2HG GLN 115 3.712 -5.524 -16.242 924 HE21 GLN 115 1HE2 GLN 115 4.485 -5.734 -18.277 925 HE22 GLN 115 2HE2 GLN 115 5.756 -6.957 -18.794 926 H ARG 116 H ARG 116 6.345 -6.337 -12.263 927 HA ARG 116 HA ARG 116 6.373 -3.898 -10.458 928 HE ARG 116 HE ARG 116 7.154 -5.667 -5.958 929 HB2 ARG 116 1HB ARG 116 4.228 -4.937 -10.131 930 HB3 ARG 116 2HB ARG 116 4.884 -6.547 -9.926 931 HG2 ARG 116 1HG ARG 116 5.763 -4.292 -8.003 932 HG3 ARG 116 2HG ARG 116 4.158 -4.988 -7.839 933 HD2 ARG 116 1HD ARG 116 4.989 -7.240 -7.417 934 HD3 ARG 116 2HD ARG 116 6.591 -6.861 -7.944 935 HH11 ARG 116 2HH2 ARG 116 3.786 -6.759 -5.662 936 HH12 ARG 116 1HH2 ARG 116 4.133 -7.177 -3.892 937 HH21 ARG 116 2HH1 ARG 116 7.415 -6.308 -3.993 938 HH22 ARG 116 1HH1 ARG 116 5.946 -6.957 -3.089 939 H GLY 117 H GLY 117 8.338 -3.800 -9.923 940 HA2 GLY 117 1HA GLY 117 10.402 -5.784 -9.398 941 HA3 GLY 117 2HA GLY 117 10.369 -4.181 -8.697 942 H ARG 118 H ARG 118 10.150 -7.304 -8.034 943 HA ARG 118 HA ARG 118 8.480 -7.782 -5.877 944 HE ARG 118 HE ARG 118 11.723 -11.233 -2.467 945 HB2 ARG 118 1HB ARG 118 9.603 -9.534 -6.872 946 HB3 ARG 118 2HB ARG 118 11.214 -8.926 -6.574 947 HG2 ARG 118 1HG ARG 118 9.511 -9.651 -4.131 948 HG3 ARG 118 2HG ARG 118 10.061 -10.963 -5.154 949 HD2 ARG 118 1HD ARG 118 12.354 -10.614 -4.765 950 HD3 ARG 118 2HD ARG 118 12.218 -8.927 -4.387 951 HH11 ARG 118 2HH2 ARG 118 11.477 -7.699 -2.875 952 HH12 ARG 118 1HH2 ARG 118 11.475 -7.534 -1.052 953 HH21 ARG 118 2HH1 ARG 118 11.571 -10.916 -0.529 954 HH22 ARG 118 1HH1 ARG 118 11.444 -9.238 0.201 Start of MODEL 11 1 HA MET 1 HA MET 1 5.229 11.472 12.047 2 H1 MET 1 1H MET 1 7.393 11.052 13.138 3 H2 MET 1 2H MET 1 7.802 9.899 12.027 4 H3 MET 1 3H MET 1 7.666 11.480 11.561 5 HB2 MET 1 1HB MET 1 6.154 9.288 10.060 6 HB3 MET 1 2HB MET 1 4.524 9.911 10.198 7 HG2 MET 1 1HG MET 1 5.363 12.255 9.583 8 HG3 MET 1 2HG MET 1 6.978 11.559 9.308 9 HE1 MET 1 3HE MET 1 7.161 11.950 6.635 10 HE2 MET 1 1HE MET 1 5.666 11.948 5.666 11 HE3 MET 1 2HE MET 1 5.806 13.036 7.067 12 H ALA 2 H ALA 2 6.098 7.950 11.850 13 HA ALA 2 HA ALA 2 4.713 7.412 14.454 14 HB1 ALA 2 3HB ALA 2 2.755 7.694 12.911 15 HB2 ALA 2 1HB ALA 2 3.437 6.508 11.771 16 HB3 ALA 2 2HB ALA 2 2.906 5.995 13.394 17 H GLY 3 H GLY 3 5.170 5.390 15.243 18 HA2 GLY 3 1HA GLY 3 6.206 3.158 13.656 19 HA3 GLY 3 2HA GLY 3 7.561 3.984 14.426 20 H SER 4 H SER 4 4.628 2.181 14.983 21 HA SER 4 HA SER 4 5.799 1.126 17.598 22 HG SER 4 HG SER 4 2.394 1.582 17.081 23 HB2 SER 4 1HB SER 4 3.878 1.575 18.990 24 HB3 SER 4 2HB SER 4 4.448 3.103 18.317 25 H GLY 5 H GLY 5 6.022 -0.846 16.606 26 HA2 GLY 5 1HA GLY 5 4.022 -2.854 16.812 27 HA3 GLY 5 2HA GLY 5 3.789 -2.209 15.184 28 H ILE 6 H ILE 6 5.331 -4.584 16.831 29 HA ILE 6 HA ILE 6 7.686 -4.827 14.963 30 HB ILE 6 HB ILE 6 8.155 -5.118 17.252 31 HG12 ILE 6 1HG1 ILE 6 8.600 -7.782 15.760 32 HG13 ILE 6 2HG1 ILE 6 9.433 -6.290 15.349 33 HG21 ILE 6 1HG2 ILE 6 7.459 -7.013 18.639 34 HG22 ILE 6 2HG2 ILE 6 6.006 -6.217 18.004 35 HG23 ILE 6 3HG2 ILE 6 6.542 -7.760 17.309 36 HD11 ILE 6 3HD1 ILE 6 9.656 -7.713 18.080 37 HD12 ILE 6 1HD1 ILE 6 10.879 -7.637 16.799 38 HD13 ILE 6 2HD1 ILE 6 10.428 -6.160 17.678 39 H ILE 7 H ILE 7 6.655 -5.101 13.070 40 HA ILE 7 HA ILE 7 4.835 -7.369 12.602 41 HB ILE 7 HB ILE 7 4.508 -5.264 11.512 42 HG12 ILE 7 1HG1 ILE 7 3.981 -6.130 9.186 43 HG13 ILE 7 2HG1 ILE 7 4.818 -7.627 9.555 44 HG21 ILE 7 1HG2 ILE 7 5.710 -4.527 9.484 45 HG22 ILE 7 2HG2 ILE 7 6.882 -4.631 10.814 46 HG23 ILE 7 3HG2 ILE 7 6.836 -5.886 9.564 47 HD11 ILE 7 3HD1 ILE 7 2.355 -7.874 9.868 48 HD12 ILE 7 1HD1 ILE 7 3.101 -8.048 11.449 49 HD13 ILE 7 2HD1 ILE 7 2.306 -6.514 10.998 50 H TYR 8 H TYR 8 6.140 -9.070 13.317 51 HA TYR 8 HA TYR 8 8.051 -10.339 11.432 52 HD1 TYR 8 HD2 TYR 8 9.906 -12.073 12.994 53 HD2 TYR 8 HD1 TYR 8 6.075 -13.870 12.177 54 HE1 TYR 8 HE2 TYR 8 11.018 -14.154 12.281 55 HE2 TYR 8 HE1 TYR 8 7.202 -15.933 11.458 56 HH TYR 8 HH TYR 8 9.208 -16.835 10.853 57 HB2 TYR 8 1HB TYR 8 7.776 -11.009 13.846 58 HB3 TYR 8 2HB TYR 8 6.212 -11.718 13.489 59 H LYS 9 H LYS 9 7.429 -10.473 9.345 60 HA LYS 9 HA LYS 9 5.277 -12.506 8.727 61 HB2 LYS 9 1HB LYS 9 4.338 -10.114 8.396 62 HB3 LYS 9 2HB LYS 9 5.417 -9.916 7.029 63 HG2 LYS 9 1HG LYS 9 3.395 -12.257 7.324 64 HG3 LYS 9 2HG LYS 9 2.927 -10.698 6.700 65 HD2 LYS 9 1HD LYS 9 4.065 -10.891 4.665 66 HD3 LYS 9 2HD LYS 9 5.283 -11.973 5.273 67 HE2 LYS 9 1HE LYS 9 3.939 -13.284 3.796 68 HE3 LYS 9 2HE LYS 9 3.636 -13.873 5.424 69 HZ1 LYS 9 3HZ LYS 9 1.734 -12.280 3.687 70 HZ2 LYS 9 1HZ LYS 9 1.378 -13.611 4.617 71 HZ3 LYS 9 2HZ LYS 9 1.585 -12.205 5.339 72 H GLN 10 H GLN 10 6.417 -14.077 7.852 73 HA GLN 10 HA GLN 10 9.000 -13.733 6.471 74 HB2 GLN 10 1HB GLN 10 7.120 -16.139 6.774 75 HB3 GLN 10 2HB GLN 10 8.591 -16.229 5.813 76 HG2 GLN 10 1HG GLN 10 10.043 -15.674 7.726 77 HG3 GLN 10 2HG GLN 10 8.681 -15.262 8.738 78 HE21 GLN 10 1HE2 GLN 10 9.871 -18.111 6.890 79 HE22 GLN 10 2HE2 GLN 10 9.413 -19.255 8.259 80 HA PRO 11 HA PRO 11 7.012 -11.991 3.104 81 HB2 PRO 11 1HB PRO 11 9.058 -11.357 1.327 82 HB3 PRO 11 2HB PRO 11 8.944 -10.767 2.997 83 HG2 PRO 11 1HG PRO 11 10.505 -13.264 2.049 84 HG3 PRO 11 2HG PRO 11 11.170 -11.853 2.924 85 HD2 PRO 11 1HD PRO 11 10.386 -14.031 4.385 86 HD3 PRO 11 2HD PRO 11 9.919 -12.393 4.947 87 H ILE 12 H ILE 12 5.996 -14.222 2.756 88 HA ILE 12 HA ILE 12 5.686 -14.520 -0.270 89 HB ILE 12 HB ILE 12 5.617 -16.589 0.948 90 HG12 ILE 12 1HG1 ILE 12 3.456 -17.553 0.087 91 HG13 ILE 12 2HG1 ILE 12 2.858 -15.943 -0.280 92 HG21 ILE 12 1HG2 ILE 12 2.974 -15.780 2.336 93 HG22 ILE 12 2HG2 ILE 12 3.854 -17.320 2.459 94 HG23 ILE 12 3HG2 ILE 12 4.557 -15.841 3.138 95 HD11 ILE 12 3HD1 ILE 12 5.395 -17.225 -1.536 96 HD12 ILE 12 1HD1 ILE 12 3.790 -17.145 -2.289 97 HD13 ILE 12 2HD1 ILE 12 4.699 -15.653 -2.005 98 H TYR 13 H TYR 13 5.248 -12.387 -0.553 99 HA TYR 13 HA TYR 13 3.041 -11.076 0.911 100 HD1 TYR 13 HD2 TYR 13 2.754 -8.433 1.444 101 HD2 TYR 13 HD1 TYR 13 6.754 -10.026 1.356 102 HE1 TYR 13 HE2 TYR 13 3.126 -7.628 3.724 103 HE2 TYR 13 HE1 TYR 13 7.115 -9.196 3.662 104 HH TYR 13 HH TYR 13 4.689 -7.154 5.323 105 HB2 TYR 13 1HB TYR 13 5.380 -10.085 -0.717 106 HB3 TYR 13 2HB TYR 13 3.980 -9.057 -0.778 107 H GLN 14 H GLN 14 1.282 -11.946 0.299 108 HA GLN 14 HA GLN 14 -0.346 -11.490 -2.033 109 HB2 GLN 14 1HB GLN 14 -2.176 -11.734 -0.566 110 HB3 GLN 14 2HB GLN 14 -0.917 -12.775 0.011 111 HG2 GLN 14 1HG GLN 14 -2.074 -10.241 1.207 112 HG3 GLN 14 2HG GLN 14 -2.022 -11.824 1.910 113 HE21 GLN 14 1HE2 GLN 14 -0.993 -8.918 2.506 114 HE22 GLN 14 2HE2 GLN 14 0.584 -9.344 3.364 115 H GLY 15 H GLY 15 0.784 -9.081 0.201 116 HA2 GLY 15 1HA GLY 15 -0.612 -6.791 -1.345 117 HA3 GLY 15 2HA GLY 15 0.190 -6.599 0.203 118 H ASN 16 H ASN 16 0.657 -6.921 -3.158 119 HA ASN 16 HA ASN 16 3.370 -7.661 -3.366 120 HB2 ASN 16 1HB ASN 16 1.810 -5.859 -5.334 121 HB3 ASN 16 2HB ASN 16 3.340 -6.629 -5.694 122 HD21 ASN 16 1HD2 ASN 16 -0.041 -7.127 -5.636 123 HD22 ASN 16 2HD2 ASN 16 0.075 -8.913 -6.075 124 H LEU 17 H LEU 17 2.398 -4.234 -3.805 125 HA LEU 17 HA LEU 17 5.078 -3.369 -2.596 126 HG LEU 17 HG LEU 17 5.272 -1.081 -5.562 127 HB2 LEU 17 1HB LEU 17 3.195 -1.776 -4.428 128 HB3 LEU 17 2HB LEU 17 4.439 -1.058 -3.436 129 HD11 LEU 17 1HD1 LEU 17 6.962 -1.698 -3.810 130 HD12 LEU 17 2HD1 LEU 17 6.729 -3.425 -4.189 131 HD13 LEU 17 3HD1 LEU 17 7.391 -2.319 -5.414 132 HD21 LEU 17 3HD2 LEU 17 3.855 -2.819 -6.642 133 HD22 LEU 17 1HD2 LEU 17 5.564 -3.019 -7.061 134 HD23 LEU 17 2HD2 LEU 17 4.810 -4.115 -5.885 135 H ILE 18 H ILE 18 1.514 -2.853 -2.431 136 HA ILE 18 HA ILE 18 1.611 -1.149 -0.029 137 HB ILE 18 HB ILE 18 -0.538 -2.744 -1.488 138 HG12 ILE 18 1HG1 ILE 18 0.251 -0.557 -2.348 139 HG13 ILE 18 2HG1 ILE 18 -1.468 -0.615 -2.014 140 HG21 ILE 18 1HG2 ILE 18 -1.381 -3.090 0.774 141 HG22 ILE 18 2HG2 ILE 18 -1.131 -1.381 1.193 142 HG23 ILE 18 3HG2 ILE 18 -2.351 -1.841 -0.020 143 HD11 ILE 18 3HD1 ILE 18 -0.444 1.588 -1.321 144 HD12 ILE 18 1HD1 ILE 18 -1.197 0.759 0.044 145 HD13 ILE 18 2HD1 ILE 18 0.558 0.780 -0.114 146 H LYS 19 H LYS 19 1.069 -1.554 2.102 147 HA LYS 19 HA LYS 19 1.538 -4.264 3.279 148 HB2 LYS 19 1HB LYS 19 3.404 -1.934 4.053 149 HB3 LYS 19 2HB LYS 19 3.413 -3.554 4.703 150 HG2 LYS 19 1HG LYS 19 4.132 -2.846 1.791 151 HG3 LYS 19 2HG LYS 19 5.291 -2.930 3.082 152 HD2 LYS 19 1HD LYS 19 4.905 -5.293 3.499 153 HD3 LYS 19 2HD LYS 19 3.504 -5.366 2.458 154 HE2 LYS 19 1HE LYS 19 6.353 -4.702 1.414 155 HE3 LYS 19 2HE LYS 19 5.707 -6.341 1.526 156 HZ1 LYS 19 3HZ LYS 19 3.803 -5.658 0.039 157 HZ2 LYS 19 1HZ LYS 19 4.373 -4.126 -0.047 158 HZ3 LYS 19 2HZ LYS 19 5.195 -5.375 -0.754 159 H GLN 20 H GLN 20 1.269 -4.114 5.611 160 HA GLN 20 HA GLN 20 -1.029 -2.289 6.383 161 HB2 GLN 20 1HB GLN 20 -1.404 -4.675 6.488 162 HB3 GLN 20 2HB GLN 20 -0.005 -4.965 7.488 163 HG2 GLN 20 1HG GLN 20 -2.322 -3.176 8.492 164 HG3 GLN 20 2HG GLN 20 -2.453 -4.921 8.476 165 HE21 GLN 20 1HE2 GLN 20 -1.711 -2.517 10.541 166 HE22 GLN 20 2HE2 GLN 20 -0.815 -3.628 11.691 167 H ASN 21 H ASN 21 2.014 -3.474 7.802 168 HA ASN 21 HA ASN 21 2.082 -1.027 9.692 169 HB2 ASN 21 1HB ASN 21 1.917 -3.331 10.728 170 HB3 ASN 21 2HB ASN 21 3.414 -3.801 9.971 171 HD21 ASN 21 1HD2 ASN 21 5.369 -2.800 10.810 172 HD22 ASN 21 2HD2 ASN 21 5.333 -2.156 12.528 173 H ALA 22 H ALA 22 4.013 -2.737 7.204 174 HA ALA 22 HA ALA 22 6.319 -0.861 7.517 175 HB1 ALA 22 3HB ALA 22 7.089 -1.862 5.336 176 HB2 ALA 22 1HB ALA 22 6.724 -3.050 6.598 177 HB3 ALA 22 2HB ALA 22 5.590 -2.814 5.267 178 H VAL 23 H VAL 23 3.220 -0.363 5.853 179 HA VAL 23 HA VAL 23 4.232 2.122 4.541 180 HB VAL 23 HB VAL 23 1.326 1.417 5.194 181 HG11 VAL 23 1HG1 VAL 23 0.864 3.187 3.317 182 HG12 VAL 23 2HG1 VAL 23 1.423 3.852 4.875 183 HG13 VAL 23 3HG1 VAL 23 2.549 3.718 3.515 184 HG21 VAL 23 3HG2 VAL 23 1.182 0.913 2.706 185 HG22 VAL 23 1HG2 VAL 23 2.948 1.161 2.555 186 HG23 VAL 23 2HG2 VAL 23 2.312 -0.163 3.540 187 H GLU 24 H GLU 24 2.907 1.471 7.788 188 HA GLU 24 HA GLU 24 3.157 4.273 8.756 189 HB2 GLU 24 1HB GLU 24 1.931 2.497 10.041 190 HB3 GLU 24 2HB GLU 24 3.411 1.581 10.245 191 HG2 GLU 24 1HG GLU 24 4.356 3.725 11.531 192 HG3 GLU 24 2HG GLU 24 2.680 4.261 11.550 193 H GLN 25 H GLN 25 5.380 1.508 8.984 194 HA GLN 25 HA GLN 25 7.573 3.307 9.972 195 HB2 GLN 25 1HB GLN 25 7.302 0.258 9.714 196 HB3 GLN 25 2HB GLN 25 8.802 1.014 10.240 197 HG2 GLN 25 1HG GLN 25 7.760 2.129 12.140 198 HG3 GLN 25 2HG GLN 25 6.138 1.732 11.600 199 HE21 GLN 25 1HE2 GLN 25 5.480 0.641 13.343 200 HE22 GLN 25 2HE2 GLN 25 6.328 -0.901 13.942 201 H LEU 26 H LEU 26 6.977 2.413 6.705 202 HA LEU 26 HA LEU 26 9.657 2.870 5.763 203 HG LEU 26 HG LEU 26 6.002 3.587 4.900 204 HB2 LEU 26 1HB LEU 26 8.820 3.500 3.642 205 HB3 LEU 26 2HB LEU 26 8.035 2.097 4.321 206 HD11 LEU 26 1HD1 LEU 26 7.269 5.489 2.812 207 HD12 LEU 26 2HD1 LEU 26 5.618 5.573 3.475 208 HD13 LEU 26 3HD1 LEU 26 6.991 5.907 4.511 209 HD21 LEU 26 3HD2 LEU 26 6.827 3.111 1.952 210 HD22 LEU 26 1HD2 LEU 26 6.022 1.926 3.027 211 HD23 LEU 26 2HD2 LEU 26 5.158 3.380 2.516 212 H GLN 27 H GLN 27 7.523 5.236 7.101 213 HA GLN 27 HA GLN 27 7.725 7.614 7.359 214 HB2 GLN 27 1HB GLN 27 8.602 6.235 9.199 215 HB3 GLN 27 2HB GLN 27 10.248 6.417 8.598 216 HG2 GLN 27 1HG GLN 27 10.269 8.824 9.115 217 HG3 GLN 27 2HG GLN 27 8.528 8.893 9.259 218 HE21 GLN 27 1HE2 GLN 27 11.196 7.052 10.788 219 HE22 GLN 27 2HE2 GLN 27 10.487 7.265 12.471 220 H VAL 28 H VAL 28 8.201 7.521 4.834 221 HA VAL 28 HA VAL 28 10.666 8.983 4.060 222 HB VAL 28 HB VAL 28 8.082 8.395 2.471 223 HG11 VAL 28 1HG1 VAL 28 9.210 10.334 1.364 224 HG12 VAL 28 2HG1 VAL 28 10.788 9.513 1.431 225 HG13 VAL 28 3HG1 VAL 28 9.475 8.880 0.401 226 HG21 VAL 28 3HG2 VAL 28 9.484 6.661 1.310 227 HG22 VAL 28 1HG2 VAL 28 10.873 7.032 2.361 228 HG23 VAL 28 2HG2 VAL 28 9.403 6.304 3.038 229 H GLY 29 H GLY 29 11.002 11.080 4.166 230 HA2 GLY 29 1HA GLY 29 8.702 13.139 4.121 231 HA3 GLY 29 2HA GLY 29 9.936 13.247 5.350 232 H GLN 30 H GLN 30 10.132 12.560 1.905 233 HA GLN 30 HA GLN 30 11.905 15.025 1.465 234 HB2 GLN 30 1HB GLN 30 13.095 12.811 1.970 235 HB3 GLN 30 2HB GLN 30 12.504 12.161 0.453 236 HG2 GLN 30 1HG GLN 30 14.301 14.670 0.782 237 HG3 GLN 30 2HG GLN 30 14.888 13.048 0.521 238 HE21 GLN 30 1HE2 GLN 30 14.157 15.843 -1.106 239 HE22 GLN 30 2HE2 GLN 30 14.074 15.071 -2.770 240 H SER 31 H SER 31 9.986 12.574 -0.378 241 HA SER 31 HA SER 31 9.406 14.638 -2.479 242 HG SER 31 HG SER 31 9.899 14.213 -4.815 243 HB2 SER 31 1HB SER 31 11.665 13.897 -3.154 244 HB3 SER 31 2HB SER 31 11.187 12.195 -3.129 245 H LYS 32 H LYS 32 7.837 14.135 -3.880 246 HA LYS 32 HA LYS 32 5.832 12.103 -3.095 247 HB2 LYS 32 1HB LYS 32 4.394 12.889 -4.796 248 HB3 LYS 32 2HB LYS 32 5.101 14.216 -3.901 249 HG2 LYS 32 1HG LYS 32 6.706 14.644 -5.848 250 HG3 LYS 32 2HG LYS 32 5.964 13.351 -6.739 251 HD2 LYS 32 1HD LYS 32 5.004 15.379 -7.557 252 HD3 LYS 32 2HD LYS 32 3.752 14.488 -6.730 253 HE2 LYS 32 1HE LYS 32 3.390 16.761 -6.162 254 HE3 LYS 32 2HE LYS 32 3.995 16.028 -4.696 255 HZ1 LYS 32 3HZ LYS 32 6.391 16.936 -5.816 256 HZ2 LYS 32 1HZ LYS 32 5.334 18.040 -6.401 257 HZ3 LYS 32 2HZ LYS 32 5.447 17.851 -4.777 258 H GLN 33 H GLN 33 8.203 12.135 -5.674 259 HA GLN 33 HA GLN 33 7.258 9.565 -6.849 260 HB2 GLN 33 1HB GLN 33 9.232 9.557 -8.252 261 HB3 GLN 33 2HB GLN 33 8.289 11.017 -8.348 262 HG2 GLN 33 1HG GLN 33 10.509 11.703 -8.519 263 HG3 GLN 33 2HG GLN 33 9.977 12.265 -6.958 264 HE21 GLN 33 1HE2 GLN 33 11.693 12.143 -5.603 265 HE22 GLN 33 2HE2 GLN 33 12.980 10.817 -5.689 266 H GLN 34 H GLN 34 9.448 10.233 -4.190 267 HA GLN 34 HA GLN 34 10.497 7.418 -4.108 268 HB2 GLN 34 1HB GLN 34 10.513 9.595 -1.913 269 HB3 GLN 34 2HB GLN 34 11.064 7.942 -1.670 270 HG2 GLN 34 1HG GLN 34 12.640 8.400 -3.801 271 HG3 GLN 34 2HG GLN 34 12.334 10.091 -3.451 272 HE21 GLN 34 1HE2 GLN 34 13.698 10.986 -1.812 273 HE22 GLN 34 2HE2 GLN 34 14.717 9.882 -0.752 274 H VAL 35 H VAL 35 7.908 9.097 -2.210 275 HA VAL 35 HA VAL 35 7.116 6.538 -0.927 276 HB VAL 35 HB VAL 35 6.846 8.773 0.150 277 HG11 VAL 35 1HG1 VAL 35 5.740 10.073 -1.731 278 HG12 VAL 35 2HG1 VAL 35 4.281 9.095 -1.548 279 HG13 VAL 35 3HG1 VAL 35 4.830 10.128 -0.209 280 HG21 VAL 35 3HG2 VAL 35 5.757 6.723 1.060 281 HG22 VAL 35 1HG2 VAL 35 4.782 8.171 1.371 282 HG23 VAL 35 2HG2 VAL 35 4.305 7.035 0.086 283 H SER 36 H SER 36 5.895 8.236 -3.801 284 HA SER 36 HA SER 36 3.730 6.232 -4.248 285 HG SER 36 HG SER 36 2.171 7.543 -5.611 286 HB2 SER 36 1HB SER 36 3.957 8.753 -5.175 287 HB3 SER 36 2HB SER 36 4.840 7.986 -6.494 288 H ALA 37 H ALA 37 7.107 6.406 -5.455 289 HA ALA 37 HA ALA 37 6.874 3.966 -7.124 290 HB1 ALA 37 3HB ALA 37 9.379 3.991 -7.065 291 HB2 ALA 37 1HB ALA 37 8.741 5.611 -7.406 292 HB3 ALA 37 2HB ALA 37 9.358 5.229 -5.786 293 H LEU 38 H LEU 38 7.869 4.424 -3.714 294 HA LEU 38 HA LEU 38 8.295 1.527 -3.186 295 HG LEU 38 HG LEU 38 9.991 1.648 -1.346 296 HB2 LEU 38 1HB LEU 38 8.001 4.021 -1.413 297 HB3 LEU 38 2HB LEU 38 7.762 2.459 -0.672 298 HD11 LEU 38 1HD1 LEU 38 10.494 3.123 -3.352 299 HD12 LEU 38 2HD1 LEU 38 10.560 4.546 -2.294 300 HD13 LEU 38 3HD1 LEU 38 11.751 3.243 -2.113 301 HD21 LEU 38 3HD2 LEU 38 11.215 3.057 0.341 302 HD22 LEU 38 1HD2 LEU 38 9.958 4.312 0.236 303 HD23 LEU 38 2HD2 LEU 38 9.569 2.704 0.895 304 H LEU 39 H LEU 39 5.422 3.576 -2.662 305 HA LEU 39 HA LEU 39 3.698 1.295 -1.826 306 HG LEU 39 HG LEU 39 4.096 4.032 -0.570 307 HB2 LEU 39 1HB LEU 39 3.114 4.109 -2.939 308 HB3 LEU 39 2HB LEU 39 1.836 3.033 -2.429 309 HD11 LEU 39 1HD1 LEU 39 2.648 5.898 -1.293 310 HD12 LEU 39 2HD1 LEU 39 1.164 4.976 -0.864 311 HD13 LEU 39 3HD1 LEU 39 2.303 5.480 0.399 312 HD21 LEU 39 3HD2 LEU 39 1.439 2.691 0.233 313 HD22 LEU 39 1HD2 LEU 39 2.997 1.828 0.212 314 HD23 LEU 39 2HD2 LEU 39 2.760 3.207 1.289 315 H GLY 40 H GLY 40 4.402 2.673 -4.974 316 HA2 GLY 40 1HA GLY 40 4.359 1.141 -6.970 317 HA3 GLY 40 2HA GLY 40 3.010 0.261 -6.291 318 H THR 41 H THR 41 3.734 3.623 -7.264 319 HA THR 41 HA THR 41 1.512 3.732 -9.293 320 HB THR 41 HB THR 41 1.468 5.232 -6.594 321 HG1 THR 41 HG1 THR 41 0.498 3.035 -7.349 322 HG21 THR 41 3HG2 THR 41 -0.483 5.766 -8.938 323 HG22 THR 41 1HG2 THR 41 -0.605 6.369 -7.286 324 HG23 THR 41 2HG2 THR 41 0.711 6.924 -8.312 325 HA PRO 42 HA PRO 42 4.469 7.091 -10.632 326 HB2 PRO 42 1HB PRO 42 3.092 8.137 -12.790 327 HB3 PRO 42 2HB PRO 42 3.848 6.526 -12.816 328 HG2 PRO 42 1HG PRO 42 0.906 7.192 -12.185 329 HG3 PRO 42 2HG PRO 42 1.494 6.031 -13.409 330 HD2 PRO 42 1HD PRO 42 0.736 5.219 -10.860 331 HD3 PRO 42 2HD PRO 42 2.104 4.413 -11.687 332 H SER 43 H SER 43 4.710 9.136 -9.818 333 HA SER 43 HA SER 43 2.531 10.347 -8.230 334 HG SER 43 HG SER 43 5.440 12.022 -9.421 335 HB2 SER 43 1HB SER 43 4.330 11.731 -7.315 336 HB3 SER 43 2HB SER 43 4.869 10.075 -7.407 337 H ILE 44 H ILE 44 2.841 12.835 -8.226 338 HA ILE 44 HA ILE 44 1.744 13.821 -10.923 339 HB ILE 44 HB ILE 44 0.250 15.372 -9.747 340 HG12 ILE 44 1HG1 ILE 44 0.579 13.671 -7.193 341 HG13 ILE 44 2HG1 ILE 44 1.410 15.200 -7.406 342 HG21 ILE 44 1HG2 ILE 44 -1.529 13.696 -9.364 343 HG22 ILE 44 2HG2 ILE 44 -0.556 13.234 -10.766 344 HG23 ILE 44 3HG2 ILE 44 -0.337 12.384 -9.213 345 HD11 ILE 44 3HD1 ILE 44 -1.625 14.831 -7.291 346 HD12 ILE 44 1HD1 ILE 44 -0.549 15.785 -6.242 347 HD13 ILE 44 2HD1 ILE 44 -0.871 16.326 -7.889 348 HA PRO 45 HA PRO 45 4.934 17.116 -10.148 349 HB2 PRO 45 1HB PRO 45 6.273 17.027 -12.537 350 HB3 PRO 45 2HB PRO 45 6.506 15.800 -11.270 351 HG2 PRO 45 1HG PRO 45 4.691 15.596 -13.753 352 HG3 PRO 45 2HG PRO 45 5.915 14.414 -13.216 353 HD2 PRO 45 1HD PRO 45 3.183 14.195 -12.573 354 HD3 PRO 45 2HD PRO 45 4.446 13.567 -11.488 355 H ASP 46 H ASP 46 2.720 18.094 -10.111 356 HA ASP 46 HA ASP 46 1.409 19.130 -12.372 357 HB2 ASP 46 1HB ASP 46 1.107 20.655 -9.772 358 HB3 ASP 46 2HB ASP 46 -0.029 20.403 -11.057 359 HA PRO 47 HA PRO 47 4.328 22.600 -13.274 360 HB2 PRO 47 1HB PRO 47 3.370 23.403 -15.761 361 HB3 PRO 47 2HB PRO 47 4.263 21.892 -15.481 362 HG2 PRO 47 1HG PRO 47 1.197 22.229 -15.574 363 HG3 PRO 47 2HG PRO 47 2.182 21.084 -16.524 364 HD2 PRO 47 1HD PRO 47 0.966 20.302 -14.167 365 HD3 PRO 47 2HD PRO 47 2.598 19.684 -14.570 366 H PHE 48 H PHE 48 1.078 23.010 -12.570 367 HA PHE 48 HA PHE 48 1.201 26.051 -12.369 368 HD1 PHE 48 HD1 PHE 48 -1.285 27.392 -12.977 369 HD2 PHE 48 HD2 PHE 48 -1.530 25.260 -9.241 370 HE1 PHE 48 HE1 PHE 48 -2.444 29.308 -11.949 371 HE2 PHE 48 HE2 PHE 48 -2.687 27.182 -8.227 372 HZ PHE 48 HZ PHE 48 -3.146 29.211 -9.575 373 HB2 PHE 48 1HB PHE 48 -0.950 24.855 -12.864 374 HB3 PHE 48 2HB PHE 48 -0.905 24.045 -11.321 375 H HIS 49 H HIS 49 0.794 23.447 -9.936 376 HA HIS 49 HA HIS 49 3.215 24.255 -8.485 377 HD1 HIS 49 HD1 HIS 49 3.644 26.863 -6.408 378 HD2 HIS 49 HD2 HIS 49 1.928 23.310 -4.728 379 HE1 HIS 49 HE1 HIS 49 4.731 26.318 -4.128 380 HB2 HIS 49 1HB HIS 49 1.477 25.985 -7.627 381 HB3 HIS 49 2HB HIS 49 0.572 24.668 -6.906 382 H ALA 50 H ALA 50 3.896 22.154 -8.381 383 HA ALA 50 HA ALA 50 2.422 19.845 -8.239 384 HB1 ALA 50 3HB ALA 50 4.785 20.140 -8.932 385 HB2 ALA 50 1HB ALA 50 5.302 20.139 -7.224 386 HB3 ALA 50 2HB ALA 50 4.513 18.711 -7.962 387 H GLN 51 H GLN 51 0.990 19.237 -6.855 388 HA GLN 51 HA GLN 51 1.244 19.912 -3.861 389 HB2 GLN 51 1HB GLN 51 -1.076 19.598 -5.871 390 HB3 GLN 51 2HB GLN 51 -1.416 19.664 -4.177 391 HG2 GLN 51 1HG GLN 51 -0.597 21.854 -3.810 392 HG3 GLN 51 2HG GLN 51 0.231 21.940 -5.343 393 HE21 GLN 51 1HE2 GLN 51 -0.932 22.531 -7.120 394 HE22 GLN 51 2HE2 GLN 51 -2.724 22.974 -7.053 395 H ARG 52 H ARG 52 -0.684 18.614 -2.740 396 HA ARG 52 HA ARG 52 0.158 16.005 -1.938 397 HE ARG 52 HE ARG 52 -5.634 17.224 -2.440 398 HB2 ARG 52 1HB ARG 52 -1.737 15.847 -0.664 399 HB3 ARG 52 2HB ARG 52 -1.338 17.544 -0.686 400 HG2 ARG 52 1HG ARG 52 -3.598 15.998 -2.045 401 HG3 ARG 52 2HG ARG 52 -3.730 17.019 -0.648 402 HD2 ARG 52 1HD ARG 52 -3.349 19.089 -2.034 403 HD3 ARG 52 2HD ARG 52 -3.045 18.074 -3.475 404 HH11 ARG 52 2HH2 ARG 52 -4.305 20.052 -4.057 405 HH12 ARG 52 1HH2 ARG 52 -5.870 20.252 -4.968 406 HH21 ARG 52 2HH1 ARG 52 -7.209 17.466 -3.401 407 HH22 ARG 52 1HH1 ARG 52 -7.504 18.840 -4.609 408 H TRP 53 H TRP 53 -0.570 13.980 -2.404 409 HA TRP 53 HA TRP 53 -1.498 13.454 -5.303 410 HD1 TRP 53 HD1 TRP 53 -2.403 10.662 -6.140 411 HE1 TRP 53 HE1 TRP 53 -2.389 8.054 -6.184 412 HE3 TRP 53 HE3 TRP 53 1.805 10.031 -3.249 413 HZ2 TRP 53 HZ2 TRP 53 -0.821 6.069 -4.826 414 HZ3 TRP 53 HZ3 TRP 53 2.421 7.749 -2.556 415 HH2 TRP 53 HH2 TRP 53 1.113 5.802 -3.263 416 HB2 TRP 53 1HB TRP 53 0.554 12.381 -4.907 417 HB3 TRP 53 2HB TRP 53 0.091 11.830 -3.298 418 H ASP 54 H ASP 54 -3.575 13.973 -4.948 419 HA ASP 54 HA ASP 54 -5.223 12.636 -2.805 420 HB2 ASP 54 1HB ASP 54 -4.866 15.248 -3.541 421 HB3 ASP 54 2HB ASP 54 -6.134 14.912 -4.668 422 H TYR 55 H TYR 55 -4.806 10.816 -4.756 423 HA TYR 55 HA TYR 55 -7.373 10.676 -6.452 424 HD1 TYR 55 HD2 TYR 55 -7.295 11.451 -9.239 425 HD2 TYR 55 HD1 TYR 55 -3.656 12.387 -7.132 426 HE1 TYR 55 HE2 TYR 55 -7.342 13.728 -10.154 427 HE2 TYR 55 HE1 TYR 55 -3.746 14.670 -8.007 428 HH TYR 55 HH TYR 55 -6.319 15.714 -10.225 429 HB2 TYR 55 1HB TYR 55 -4.445 10.022 -7.235 430 HB3 TYR 55 2HB TYR 55 -5.823 9.617 -8.228 431 H THR 56 H THR 56 -8.478 8.855 -6.515 432 HA THR 56 HA THR 56 -7.754 6.396 -5.108 433 HB THR 56 HB THR 56 -9.857 6.725 -7.325 434 HG1 THR 56 HG1 THR 56 -10.295 7.006 -4.518 435 HG21 THR 56 3HG2 THR 56 -11.092 4.955 -6.044 436 HG22 THR 56 1HG2 THR 56 -9.537 4.322 -6.613 437 HG23 THR 56 2HG2 THR 56 -9.737 4.783 -4.908 438 H SER 57 H SER 57 -5.942 5.511 -5.700 439 HA SER 57 HA SER 57 -5.077 5.428 -8.631 440 HG SER 57 HG SER 57 -4.626 7.475 -6.432 441 HB2 SER 57 1HB SER 57 -3.454 5.566 -5.993 442 HB3 SER 57 2HB SER 57 -2.784 5.638 -7.620 443 H THR 58 H THR 58 -3.292 3.907 -9.134 444 HA THR 58 HA THR 58 -3.294 1.270 -7.741 445 HB THR 58 HB THR 58 -5.279 0.976 -9.100 446 HG1 THR 58 HG1 THR 58 -3.332 -0.549 -10.430 447 HG21 THR 58 3HG2 THR 58 -3.534 1.328 -11.637 448 HG22 THR 58 1HG2 THR 58 -5.203 0.716 -11.578 449 HG23 THR 58 2HG2 THR 58 -4.858 2.396 -11.133 450 H GLN 59 H GLN 59 -1.891 -0.224 -8.652 451 HA GLN 59 HA GLN 59 0.485 0.749 -10.264 452 HB2 GLN 59 1HB GLN 59 1.543 -1.330 -10.065 453 HB3 GLN 59 2HB GLN 59 1.060 -0.824 -8.465 454 HG2 GLN 59 1HG GLN 59 -0.932 -2.491 -8.621 455 HG3 GLN 59 2HG GLN 59 -0.363 -2.965 -10.189 456 HE21 GLN 59 1HE2 GLN 59 0.919 -2.787 -6.771 457 HE22 GLN 59 2HE2 GLN 59 1.859 -4.333 -7.054 458 H ARG 60 H ARG 60 0.777 -0.014 -12.342 459 HA ARG 60 HA ARG 60 -1.727 -0.357 -13.953 460 HE ARG 60 HE ARG 60 -0.819 -1.969 -17.915 461 HB2 ARG 60 1HB ARG 60 -0.090 1.266 -14.687 462 HB3 ARG 60 2HB ARG 60 1.256 0.147 -14.539 463 HG2 ARG 60 1HG ARG 60 0.950 0.512 -16.831 464 HG3 ARG 60 2HG ARG 60 0.602 -1.143 -16.461 465 HD2 ARG 60 1HD ARG 60 -2.012 0.051 -16.406 466 HD3 ARG 60 2HD ARG 60 -1.147 1.041 -17.591 467 HH11 ARG 60 2HH2 ARG 60 -2.697 0.768 -18.959 468 HH12 ARG 60 1HH2 ARG 60 -3.361 -0.178 -20.376 469 HH21 ARG 60 2HH1 ARG 60 -1.603 -2.989 -19.418 470 HH22 ARG 60 1HH1 ARG 60 -2.733 -2.224 -20.634 471 H VAL 61 H VAL 61 -2.270 -2.035 -15.192 472 HA VAL 61 HA VAL 61 -1.191 -4.736 -14.730 473 HB VAL 61 HB VAL 61 -3.563 -4.286 -14.835 474 HG11 VAL 61 1HG1 VAL 61 -3.422 -4.049 -17.909 475 HG12 VAL 61 2HG1 VAL 61 -4.860 -4.075 -16.874 476 HG13 VAL 61 3HG1 VAL 61 -3.759 -2.691 -16.811 477 HG21 VAL 61 3HG2 VAL 61 -4.168 -6.359 -16.043 478 HG22 VAL 61 1HG2 VAL 61 -2.611 -6.363 -16.909 479 HG23 VAL 61 2HG2 VAL 61 -2.656 -6.560 -15.140 480 H ASP 62 H ASP 62 0.731 -3.910 -15.346 481 HA ASP 62 HA ASP 62 1.660 -4.086 -18.218 482 HB2 ASP 62 1HB ASP 62 2.436 -2.445 -16.362 483 HB3 ASP 62 2HB ASP 62 3.276 -3.781 -15.590 484 H ARG 63 H ARG 63 4.111 -5.249 -17.860 485 HA ARG 63 HA ARG 63 3.546 -8.185 -18.201 486 HE ARG 63 HE ARG 63 5.928 -4.172 -18.675 487 HB2 ARG 63 1HB ARG 63 5.749 -8.506 -18.930 488 HB3 ARG 63 2HB ARG 63 5.056 -7.133 -19.734 489 HG2 ARG 63 1HG ARG 63 6.593 -6.056 -17.459 490 HG3 ARG 63 2HG ARG 63 7.513 -7.380 -18.109 491 HD2 ARG 63 1HD ARG 63 8.328 -5.540 -19.312 492 HD3 ARG 63 2HD ARG 63 7.205 -6.264 -20.486 493 HH11 ARG 63 2HH2 ARG 63 7.867 -4.470 -21.566 494 HH12 ARG 63 1HH2 ARG 63 7.315 -2.832 -22.173 495 HH21 ARG 63 2HH1 ARG 63 5.211 -2.413 -19.442 496 HH22 ARG 63 1HH1 ARG 63 5.907 -1.727 -20.998 497 H LEU 64 H LEU 64 5.303 -6.235 -15.786 498 HA LEU 64 HA LEU 64 5.416 -8.642 -13.925 499 HG LEU 64 HG LEU 64 7.900 -7.061 -15.353 500 HB2 LEU 64 1HB LEU 64 6.670 -5.865 -13.519 501 HB3 LEU 64 2HB LEU 64 6.852 -7.250 -12.455 502 HD11 LEU 64 1HD1 LEU 64 9.387 -6.986 -12.638 503 HD12 LEU 64 2HD1 LEU 64 10.140 -6.943 -14.247 504 HD13 LEU 64 3HD1 LEU 64 9.116 -5.599 -13.719 505 HD21 LEU 64 3HD2 LEU 64 9.150 -9.185 -14.821 506 HD22 LEU 64 1HD2 LEU 64 8.278 -9.334 -13.278 507 HD23 LEU 64 2HD2 LEU 64 7.401 -9.447 -14.824 508 H ALA 65 H ALA 65 4.176 -5.261 -13.765 509 HA ALA 65 HA ALA 65 2.854 -5.751 -11.121 510 HB1 ALA 65 3HB ALA 65 2.797 -3.354 -13.081 511 HB2 ALA 65 1HB ALA 65 2.107 -3.344 -11.450 512 HB3 ALA 65 2HB ALA 65 3.852 -3.561 -11.658 513 H ARG 66 H ARG 66 0.589 -5.523 -10.707 514 HA ARG 66 HA ARG 66 -1.243 -6.378 -13.029 515 HE ARG 66 HE ARG 66 1.222 -11.204 -12.684 516 HB2 ARG 66 1HB ARG 66 -1.092 -7.761 -10.284 517 HB3 ARG 66 2HB ARG 66 -2.521 -7.801 -11.296 518 HG2 ARG 66 1HG ARG 66 -1.529 -9.767 -11.930 519 HG3 ARG 66 2HG ARG 66 -1.088 -8.703 -13.243 520 HD2 ARG 66 1HD ARG 66 1.226 -8.379 -11.835 521 HD3 ARG 66 2HD ARG 66 0.647 -9.718 -10.899 522 HH11 ARG 66 2HH2 ARG 66 1.091 -7.956 -14.025 523 HH12 ARG 66 1HH2 ARG 66 1.949 -8.486 -15.528 524 HH21 ARG 66 2HH1 ARG 66 2.350 -11.704 -14.352 525 HH22 ARG 66 1HH1 ARG 66 2.802 -10.412 -15.561 526 H THR 67 H THR 67 -2.295 -5.794 -9.665 527 HA THR 67 HA THR 67 -3.213 -3.068 -10.260 528 HB THR 67 HB THR 67 -5.576 -5.059 -10.125 529 HG1 THR 67 HG1 THR 67 -4.004 -4.360 -12.215 530 HG21 THR 67 3HG2 THR 67 -6.887 -3.099 -10.947 531 HG22 THR 67 1HG2 THR 67 -6.067 -2.608 -9.453 532 HG23 THR 67 2HG2 THR 67 -5.423 -2.097 -11.039 533 H GLU 68 H GLU 68 -3.665 -2.031 -8.389 534 HA GLU 68 HA GLU 68 -3.975 -3.525 -5.764 535 HB2 GLU 68 1HB GLU 68 -1.568 -3.815 -6.463 536 HB3 GLU 68 2HB GLU 68 -1.384 -2.067 -6.540 537 HG2 GLU 68 1HG GLU 68 -1.926 -2.044 -3.958 538 HG3 GLU 68 2HG GLU 68 -1.818 -3.801 -4.025 539 H ILE 69 H ILE 69 -5.715 -2.259 -5.453 540 HA ILE 69 HA ILE 69 -5.960 0.487 -6.189 541 HB ILE 69 HB ILE 69 -7.796 -1.230 -4.389 542 HG12 ILE 69 1HG1 ILE 69 -9.243 -1.113 -6.610 543 HG13 ILE 69 2HG1 ILE 69 -7.781 -0.616 -7.437 544 HG21 ILE 69 1HG2 ILE 69 -8.380 1.189 -4.030 545 HG22 ILE 69 2HG2 ILE 69 -8.472 1.454 -5.789 546 HG23 ILE 69 3HG2 ILE 69 -9.626 0.372 -4.962 547 HD11 ILE 69 3HD1 ILE 69 -8.382 -3.069 -7.623 548 HD12 ILE 69 1HD1 ILE 69 -6.765 -2.891 -6.952 549 HD13 ILE 69 2HD1 ILE 69 -8.139 -3.285 -5.882 550 H LYS 70 H LYS 70 -5.869 2.378 -5.190 551 HA LYS 70 HA LYS 70 -4.976 2.627 -2.261 552 HB2 LYS 70 1HB LYS 70 -3.681 3.767 -4.801 553 HB3 LYS 70 2HB LYS 70 -3.229 4.276 -3.180 554 HG2 LYS 70 1HG LYS 70 -2.269 2.101 -2.631 555 HG3 LYS 70 2HG LYS 70 -2.960 1.336 -4.055 556 HD2 LYS 70 1HD LYS 70 -1.649 2.978 -5.551 557 HD3 LYS 70 2HD LYS 70 -0.886 3.622 -4.106 558 HE2 LYS 70 1HE LYS 70 0.703 2.115 -4.948 559 HE3 LYS 70 2HE LYS 70 0.018 1.266 -3.589 560 HZ1 LYS 70 3HZ LYS 70 -1.584 0.255 -5.526 561 HZ2 LYS 70 1HZ LYS 70 -0.294 0.676 -6.481 562 HZ3 LYS 70 2HZ LYS 70 -0.073 -0.407 -5.241 563 H ASN 71 H ASN 71 -7.050 3.456 -1.870 564 HA ASN 71 HA ASN 71 -7.746 6.215 -2.982 565 HB2 ASN 71 1HB ASN 71 -9.482 4.364 -2.551 566 HB3 ASN 71 2HB ASN 71 -9.215 4.565 -0.838 567 HD21 ASN 71 1HD2 ASN 71 -10.521 6.072 0.097 568 HD22 ASN 71 2HD2 ASN 71 -11.427 7.389 -0.862 569 H PHE 72 H PHE 72 -5.733 6.964 -2.314 570 HA PHE 72 HA PHE 72 -5.207 7.359 0.695 571 HD1 PHE 72 HD2 PHE 72 -3.212 5.208 1.904 572 HD2 PHE 72 HD1 PHE 72 -1.401 7.723 -1.109 573 HE1 PHE 72 HE2 PHE 72 -1.119 5.214 3.156 574 HE2 PHE 72 HE1 PHE 72 0.701 7.697 0.174 575 HZ PHE 72 HZ PHE 72 0.858 6.423 2.288 576 HB2 PHE 72 1HB PHE 72 -4.177 5.375 -0.437 577 HB3 PHE 72 2HB PHE 72 -3.429 6.391 -1.646 578 H THR 73 H THR 73 -5.397 9.501 1.010 579 HA THR 73 HA THR 73 -4.314 11.529 -0.988 580 HB THR 73 HB THR 73 -5.937 11.995 1.546 581 HG1 THR 73 HG1 THR 73 -6.767 12.867 -0.973 582 HG21 THR 73 3HG2 THR 73 -6.086 14.367 0.666 583 HG22 THR 73 1HG2 THR 73 -4.405 13.970 1.087 584 HG23 THR 73 2HG2 THR 73 -4.905 13.976 -0.608 585 H VAL 74 H VAL 74 -2.200 11.767 -0.766 586 HA VAL 74 HA VAL 74 -0.956 11.963 2.031 587 HB VAL 74 HB VAL 74 -0.264 9.933 1.111 588 HG11 VAL 74 1HG1 VAL 74 1.271 9.736 -0.874 589 HG12 VAL 74 2HG1 VAL 74 -0.369 10.229 -1.339 590 HG13 VAL 74 3HG1 VAL 74 0.934 11.433 -1.292 591 HG21 VAL 74 3HG2 VAL 74 1.424 11.264 2.492 592 HG22 VAL 74 1HG2 VAL 74 2.177 10.107 1.370 593 HG23 VAL 74 2HG2 VAL 74 2.156 11.847 0.982 594 H PHE 75 H PHE 75 0.038 13.649 2.584 595 HA PHE 75 HA PHE 75 -0.248 16.034 0.783 596 HD1 PHE 75 HD2 PHE 75 -2.027 18.076 1.773 597 HD2 PHE 75 HD1 PHE 75 -1.999 14.426 4.056 598 HE1 PHE 75 HE2 PHE 75 -4.488 18.047 1.770 599 HE2 PHE 75 HE1 PHE 75 -4.462 14.401 4.034 600 HZ PHE 75 HZ PHE 75 -5.715 16.219 2.912 601 HB2 PHE 75 1HB PHE 75 0.106 15.764 3.831 602 HB3 PHE 75 2HB PHE 75 0.064 17.309 3.014 603 H PHE 76 H PHE 76 1.259 17.253 0.033 604 HA PHE 76 HA PHE 76 4.153 16.943 0.960 605 HD1 PHE 76 HD1 PHE 76 5.417 14.842 -0.169 606 HD2 PHE 76 HD2 PHE 76 2.138 15.619 -2.822 607 HE1 PHE 76 HE1 PHE 76 5.059 12.405 -0.489 608 HE2 PHE 76 HE2 PHE 76 1.827 13.225 -3.156 609 HZ PHE 76 HZ PHE 76 3.269 11.595 -1.955 610 HB2 PHE 76 1HB PHE 76 3.311 17.490 -1.949 611 HB3 PHE 76 2HB PHE 76 4.929 17.237 -1.329 612 H GLU 77 H GLU 77 5.339 18.825 1.117 613 HA GLU 77 HA GLU 77 3.889 21.412 1.421 614 HB2 GLU 77 1HB GLU 77 5.767 20.674 2.856 615 HB3 GLU 77 2HB GLU 77 6.867 20.625 1.485 616 HG2 GLU 77 1HG GLU 77 6.529 23.201 1.234 617 HG3 GLU 77 2HG GLU 77 5.598 23.155 2.733 618 H ASN 78 H ASN 78 6.621 20.718 -0.588 619 HA ASN 78 HA ASN 78 4.874 21.053 -2.991 620 HB2 ASN 78 1HB ASN 78 6.415 23.063 -3.083 621 HB3 ASN 78 2HB ASN 78 7.808 22.006 -3.160 622 HD21 ASN 78 1HD2 ASN 78 5.091 23.248 -4.953 623 HD22 ASN 78 2HD2 ASN 78 5.656 22.526 -6.546 624 H GLU 79 H GLU 79 8.205 19.913 -2.242 625 HA GLU 79 HA GLU 79 7.393 17.115 -3.163 626 HB2 GLU 79 1HB GLU 79 10.129 18.470 -2.774 627 HB3 GLU 79 2HB GLU 79 10.012 16.736 -2.790 628 HG2 GLU 79 1HG GLU 79 9.120 18.554 -5.106 629 HG3 GLU 79 2HG GLU 79 10.589 17.593 -5.021 630 H GLN 80 H GLN 80 8.553 18.695 -0.142 631 HA GLN 80 HA GLN 80 9.178 16.053 1.013 632 HB2 GLN 80 1HB GLN 80 9.854 17.001 3.016 633 HB3 GLN 80 2HB GLN 80 10.565 17.854 1.661 634 HG2 GLN 80 1HG GLN 80 9.007 19.802 2.012 635 HG3 GLN 80 2HG GLN 80 8.183 18.956 3.314 636 HE21 GLN 80 1HE2 GLN 80 9.776 21.485 3.298 637 HE22 GLN 80 2HE2 GLN 80 10.960 21.171 4.675 638 H VAL 81 H VAL 81 8.151 14.765 2.303 639 HA VAL 81 HA VAL 81 5.226 14.949 2.123 640 HB VAL 81 HB VAL 81 6.526 12.668 3.673 641 HG11 VAL 81 1HG1 VAL 81 4.060 12.691 3.584 642 HG12 VAL 81 2HG1 VAL 81 4.068 12.870 1.819 643 HG13 VAL 81 3HG1 VAL 81 4.653 11.367 2.569 644 HG21 VAL 81 3HG2 VAL 81 6.696 11.404 1.409 645 HG22 VAL 81 1HG2 VAL 81 6.772 13.012 0.630 646 HG23 VAL 81 2HG2 VAL 81 7.979 12.536 1.806 647 H VAL 82 H VAL 82 3.797 15.541 3.536 648 HA VAL 82 HA VAL 82 4.565 16.220 6.409 649 HB VAL 82 HB VAL 82 2.024 16.939 4.813 650 HG11 VAL 82 1HG1 VAL 82 2.925 17.933 7.610 651 HG12 VAL 82 2HG1 VAL 82 1.540 18.547 6.674 652 HG13 VAL 82 3HG1 VAL 82 1.522 16.890 7.288 653 HG21 VAL 82 3HG2 VAL 82 4.054 18.186 3.967 654 HG22 VAL 82 1HG2 VAL 82 2.943 19.270 4.812 655 HG23 VAL 82 2HG2 VAL 82 4.435 18.720 5.616 656 H ARG 83 H ARG 83 1.718 14.557 4.910 657 HA ARG 83 HA ARG 83 2.094 12.224 6.616 658 HE ARG 83 HE ARG 83 -1.732 11.581 8.459 659 HB2 ARG 83 1HB ARG 83 0.298 12.207 8.112 660 HB3 ARG 83 2HB ARG 83 1.141 13.698 8.393 661 HG2 ARG 83 1HG ARG 83 -0.589 15.072 7.458 662 HG3 ARG 83 2HG ARG 83 -1.353 13.775 6.572 663 HD2 ARG 83 1HD ARG 83 -1.331 13.942 9.660 664 HD3 ARG 83 2HD ARG 83 -2.618 14.533 8.611 665 HH11 ARG 83 2HH2 ARG 83 -4.377 13.812 8.920 666 HH12 ARG 83 1HH2 ARG 83 -5.589 12.464 8.590 667 HH21 ARG 83 2HH1 ARG 83 -3.119 10.169 8.088 668 HH22 ARG 83 1HH1 ARG 83 -4.899 10.499 8.286 669 H TRP 84 H TRP 84 0.575 10.526 6.338 670 HA TRP 84 HA TRP 84 -1.027 10.667 3.749 671 HD1 TRP 84 HD1 TRP 84 -0.276 6.437 5.922 672 HE1 TRP 84 HE1 TRP 84 1.991 5.519 6.912 673 HE3 TRP 84 HE3 TRP 84 2.838 9.963 3.838 674 HZ2 TRP 84 HZ2 TRP 84 4.683 6.370 6.805 675 HZ3 TRP 84 HZ3 TRP 84 5.283 9.778 4.262 676 HH2 TRP 84 HH2 TRP 84 6.178 8.034 5.700 677 HB2 TRP 84 1HB TRP 84 -0.818 8.129 3.756 678 HB3 TRP 84 2HB TRP 84 0.494 9.134 3.223 679 H GLU 85 H GLU 85 -3.055 10.185 3.596 680 HA GLU 85 HA GLU 85 -4.661 9.200 6.008 681 HB2 GLU 85 1HB GLU 85 -4.519 11.766 5.688 682 HB3 GLU 85 2HB GLU 85 -5.221 11.575 4.096 683 HG2 GLU 85 1HG GLU 85 -7.015 12.266 5.467 684 HG3 GLU 85 2HG GLU 85 -7.336 10.570 5.201 685 H GLY 86 H GLY 86 -5.901 7.539 5.452 686 HA2 GLY 86 1HA GLY 86 -8.139 7.466 4.098 687 HA3 GLY 86 2HA GLY 86 -7.169 7.346 2.651 688 H ASP 87 H ASP 87 -7.427 5.420 1.877 689 HA ASP 87 HA ASP 87 -7.344 2.894 3.547 690 HB2 ASP 87 1HB ASP 87 -9.555 2.179 2.885 691 HB3 ASP 87 2HB ASP 87 -9.670 3.720 3.699 692 H TYR 88 H TYR 88 -7.053 0.972 2.343 693 HA TYR 88 HA TYR 88 -6.622 1.113 -0.609 694 HD1 TYR 88 HD2 TYR 88 -4.286 -0.980 2.038 695 HD2 TYR 88 HD1 TYR 88 -2.870 2.991 1.118 696 HE1 TYR 88 HE2 TYR 88 -2.673 -1.118 3.870 697 HE2 TYR 88 HE1 TYR 88 -1.242 2.825 2.905 698 HH TYR 88 HH TYR 88 -0.569 -0.156 4.523 699 HB2 TYR 88 1HB TYR 88 -4.180 0.697 -0.625 700 HB3 TYR 88 2HB TYR 88 -4.697 2.253 -0.062 701 H PHE 89 H PHE 89 -5.543 -0.761 -1.487 702 HA PHE 89 HA PHE 89 -6.945 -2.983 -1.692 703 HD1 PHE 89 HD2 PHE 89 -6.620 -3.890 -4.057 704 HD2 PHE 89 HD1 PHE 89 -3.131 -5.280 -1.945 705 HE1 PHE 89 HE2 PHE 89 -6.567 -5.916 -5.461 706 HE2 PHE 89 HE1 PHE 89 -3.090 -7.295 -3.357 707 HZ PHE 89 HZ PHE 89 -4.801 -7.617 -5.120 708 HB2 PHE 89 1HB PHE 89 -4.794 -2.303 -2.850 709 HB3 PHE 89 2HB PHE 89 -3.874 -3.029 -1.562 710 HA PRO 90 HA PRO 90 -6.513 -4.980 2.477 711 HB2 PRO 90 1HB PRO 90 -9.047 -5.972 2.829 712 HB3 PRO 90 2HB PRO 90 -8.700 -4.228 2.782 713 HG2 PRO 90 1HG PRO 90 -9.648 -5.978 0.415 714 HG3 PRO 90 2HG PRO 90 -10.438 -4.500 1.035 715 HD2 PRO 90 1HD PRO 90 -8.635 -4.383 -1.079 716 HD3 PRO 90 2HD PRO 90 -8.703 -3.074 0.144 717 H SER 91 H SER 91 -5.039 -6.218 0.880 718 HA SER 91 HA SER 91 -5.683 -9.217 1.076 719 HG SER 91 HG SER 91 -2.465 -8.261 -1.157 720 HB2 SER 91 1HB SER 91 -3.827 -9.725 -0.328 721 HB3 SER 91 2HB SER 91 -4.887 -8.575 -1.141 722 H GLN 92 H GLN 92 -5.720 -8.711 3.275 723 HA GLN 92 HA GLN 92 -3.144 -8.138 4.701 724 HB2 GLN 92 1HB GLN 92 -5.404 -6.952 4.988 725 HB3 GLN 92 2HB GLN 92 -5.950 -8.360 5.909 726 HG2 GLN 92 1HG GLN 92 -3.955 -7.985 7.505 727 HG3 GLN 92 2HG GLN 92 -3.486 -6.583 6.575 728 HE21 GLN 92 1HE2 GLN 92 -4.926 -4.715 6.660 729 HE22 GLN 92 2HE2 GLN 92 -6.120 -4.600 8.059 730 H ASP 93 H ASP 93 -2.432 -10.291 3.982 731 HA ASP 93 HA ASP 93 -2.295 -11.882 6.601 732 HB2 ASP 93 1HB ASP 93 -2.687 -13.295 4.561 733 HB3 ASP 93 2HB ASP 93 -1.197 -12.718 3.843 734 H GLU 94 H GLU 94 -1.307 -9.322 5.776 735 HA GLU 94 HA GLU 94 1.150 -9.476 7.551 736 HB2 GLU 94 1HB GLU 94 1.743 -8.224 5.418 737 HB3 GLU 94 2HB GLU 94 0.495 -7.029 5.777 738 HG2 GLU 94 1HG GLU 94 1.708 -6.562 8.021 739 HG3 GLU 94 2HG GLU 94 2.958 -7.704 7.534 740 H GLN 95 H GLN 95 -0.202 -9.821 9.249 741 HA GLN 95 HA GLN 95 -2.289 -7.680 9.953 742 HB2 GLN 95 1HB GLN 95 -3.201 -9.748 8.774 743 HB3 GLN 95 2HB GLN 95 -2.717 -10.729 10.150 744 HG2 GLN 95 1HG GLN 95 -4.236 -9.447 11.666 745 HG3 GLN 95 2HG GLN 95 -4.589 -8.266 10.417 746 HE21 GLN 95 1HE2 GLN 95 -6.243 -8.740 8.986 747 HE22 GLN 95 2HE2 GLN 95 -7.123 -10.367 9.009 748 H LEU 96 H LEU 96 -0.545 -6.932 11.200 749 HA LEU 96 HA LEU 96 -0.621 -8.012 14.053 750 HG LEU 96 HG LEU 96 0.332 -5.257 15.356 751 HB2 LEU 96 1HB LEU 96 1.534 -7.072 13.172 752 HB3 LEU 96 2HB LEU 96 0.749 -5.532 12.842 753 HD11 LEU 96 1HD1 LEU 96 2.154 -7.762 15.579 754 HD12 LEU 96 2HD1 LEU 96 1.681 -6.697 16.921 755 HD13 LEU 96 3HD1 LEU 96 0.458 -7.673 16.101 756 HD21 LEU 96 3HD2 LEU 96 2.715 -4.680 15.827 757 HD22 LEU 96 1HD2 LEU 96 3.272 -5.683 14.469 758 HD23 LEU 96 2HD2 LEU 96 2.308 -4.223 14.160 759 H ALA 97 H ALA 97 -2.284 -7.332 15.304 760 HA ALA 97 HA ALA 97 -4.560 -6.157 14.019 761 HB1 ALA 97 3HB ALA 97 -4.143 -6.818 17.000 762 HB2 ALA 97 1HB ALA 97 -5.703 -6.604 16.186 763 HB3 ALA 97 2HB ALA 97 -4.649 -7.945 15.711 764 H LYS 98 H LYS 98 -3.522 -4.165 13.466 765 HA LYS 98 HA LYS 98 -4.675 -1.770 14.912 766 HB2 LYS 98 1HB LYS 98 -2.452 -0.623 15.043 767 HB3 LYS 98 2HB LYS 98 -2.688 -1.906 16.204 768 HG2 LYS 98 1HG LYS 98 -1.151 -3.384 15.240 769 HG3 LYS 98 2HG LYS 98 -1.254 -2.720 13.636 770 HD2 LYS 98 1HD LYS 98 0.153 -1.316 16.000 771 HD3 LYS 98 2HD LYS 98 0.912 -2.337 14.784 772 HE2 LYS 98 1HE LYS 98 -0.106 -0.668 12.968 773 HE3 LYS 98 2HE LYS 98 -0.449 0.409 14.321 774 HZ1 LYS 98 3HZ LYS 98 2.082 0.020 14.934 775 HZ2 LYS 98 1HZ LYS 98 2.242 -0.586 13.410 776 HZ3 LYS 98 2HZ LYS 98 1.789 1.017 13.633 777 H ALA 99 H ALA 99 -5.848 -1.870 12.909 778 HA ALA 99 HA ALA 99 -4.531 -0.267 10.684 779 HB1 ALA 99 3HB ALA 99 -5.900 -3.007 10.213 780 HB2 ALA 99 1HB ALA 99 -5.281 -1.917 8.947 781 HB3 ALA 99 2HB ALA 99 -4.158 -2.674 10.095 782 H ALA 100 H ALA 100 -5.850 1.424 10.412 783 HA ALA 100 HA ALA 100 -8.896 1.063 10.616 784 HB1 ALA 100 3HB ALA 100 -8.916 3.441 11.378 785 HB2 ALA 100 1HB ALA 100 -7.925 2.419 12.438 786 HB3 ALA 100 2HB ALA 100 -7.144 3.515 11.269 787 HA PRO 101 HA PRO 101 -8.190 2.462 6.193 788 HB2 PRO 101 1HB PRO 101 -9.978 0.833 4.895 789 HB3 PRO 101 2HB PRO 101 -8.436 0.246 5.557 790 HG2 PRO 101 1HG PRO 101 -11.219 0.058 6.859 791 HG3 PRO 101 2HG PRO 101 -10.045 -1.265 6.631 792 HD2 PRO 101 1HD PRO 101 -10.276 0.197 9.015 793 HD3 PRO 101 2HD PRO 101 -8.716 -0.510 8.507 794 H LYS 102 H LYS 102 -8.901 4.454 6.944 795 HA LYS 102 HA LYS 102 -11.799 5.097 7.286 796 HB2 LYS 102 1HB LYS 102 -9.937 6.005 8.696 797 HB3 LYS 102 2HB LYS 102 -9.353 6.942 7.318 798 HG2 LYS 102 1HG LYS 102 -11.717 8.101 7.270 799 HG3 LYS 102 2HG LYS 102 -12.113 7.183 8.712 800 HD2 LYS 102 1HD LYS 102 -11.486 9.330 9.483 801 HD3 LYS 102 2HD LYS 102 -10.153 8.270 9.935 802 HE2 LYS 102 1HE LYS 102 -8.828 9.072 7.898 803 HE3 LYS 102 2HE LYS 102 -10.173 10.090 7.403 804 HZ1 LYS 102 3HZ LYS 102 -8.375 11.262 8.711 805 HZ2 LYS 102 1HZ LYS 102 -9.862 11.445 9.451 806 HZ3 LYS 102 2HZ LYS 102 -8.747 10.378 10.052 807 H GLN 103 H GLN 103 -12.593 4.627 5.223 808 HA GLN 103 HA GLN 103 -11.838 6.123 2.828 809 HB2 GLN 103 1HB GLN 103 -12.824 3.812 2.971 810 HB3 GLN 103 2HB GLN 103 -14.412 4.507 3.315 811 HG2 GLN 103 1HG GLN 103 -14.316 5.719 1.051 812 HG3 GLN 103 2HG GLN 103 -12.703 5.100 0.785 813 HE21 GLN 103 1HE2 GLN 103 -12.431 2.825 0.410 814 HE22 GLN 103 2HE2 GLN 103 -13.895 1.845 -0.167 815 H PHE 104 H PHE 104 -11.876 8.161 3.737 816 HA PHE 104 HA PHE 104 -14.300 9.561 4.481 817 HD1 PHE 104 HD1 PHE 104 -9.994 9.325 4.033 818 HD2 PHE 104 HD2 PHE 104 -12.133 13.005 3.336 819 HE1 PHE 104 HE1 PHE 104 -8.109 10.182 2.704 820 HE2 PHE 104 HE2 PHE 104 -10.223 13.852 2.032 821 HZ PHE 104 HZ PHE 104 -8.223 12.451 1.708 822 HB2 PHE 104 1HB PHE 104 -12.976 11.425 5.017 823 HB3 PHE 104 2HB PHE 104 -12.082 10.000 5.452 824 H GLY 105 H GLY 105 -13.052 9.369 1.346 825 HA2 GLY 105 1HA GLY 105 -14.258 11.913 0.254 826 HA3 GLY 105 2HA GLY 105 -13.567 10.631 -0.710 827 H ARG 106 H ARG 106 -16.358 11.254 1.297 828 HA ARG 106 HA ARG 106 -18.237 10.026 -0.810 829 HE ARG 106 HE ARG 106 -20.027 5.614 0.206 830 HB2 ARG 106 1HB ARG 106 -17.544 8.329 0.824 831 HB3 ARG 106 2HB ARG 106 -18.051 9.323 2.191 832 HG2 ARG 106 1HG ARG 106 -20.426 9.170 1.520 833 HG3 ARG 106 2HG ARG 106 -20.039 8.363 0.011 834 HD2 ARG 106 1HD ARG 106 -19.315 7.130 2.780 835 HD3 ARG 106 2HD ARG 106 -20.888 6.961 2.052 836 HH11 ARG 106 2HH2 ARG 106 -17.425 6.422 2.431 837 HH12 ARG 106 1HH2 ARG 106 -16.423 5.048 1.752 838 HH21 ARG 106 2HH1 ARG 106 -18.793 4.114 -0.496 839 HH22 ARG 106 1HH1 ARG 106 -17.121 3.890 0.223 840 H ASN 107 H ASN 107 -19.044 11.995 -1.383 841 HA ASN 107 HA ASN 107 -20.050 13.988 0.605 842 HB2 ASN 107 1HB ASN 107 -20.305 13.910 -2.472 843 HB3 ASN 107 2HB ASN 107 -20.875 15.219 -1.463 844 HD21 ASN 107 1HD2 ASN 107 -18.253 14.331 -3.265 845 HD22 ASN 107 2HD2 ASN 107 -17.060 15.449 -2.418 846 H LEU 108 H LEU 108 -21.511 12.706 1.737 847 HA LEU 108 HA LEU 108 -23.947 11.597 0.518 848 HG LEU 108 HG LEU 108 -25.640 11.403 3.216 849 HB2 LEU 108 1HB LEU 108 -22.744 10.634 2.449 850 HB3 LEU 108 2HB LEU 108 -23.160 12.011 3.453 851 HD11 LEU 108 1HD1 LEU 108 -26.196 9.078 2.424 852 HD12 LEU 108 2HD1 LEU 108 -25.594 10.064 1.090 853 HD13 LEU 108 3HD1 LEU 108 -24.532 8.851 1.841 854 HD21 LEU 108 3HD2 LEU 108 -25.478 9.469 4.794 855 HD22 LEU 108 1HD2 LEU 108 -23.775 9.209 4.359 856 HD23 LEU 108 2HD2 LEU 108 -24.269 10.696 5.201 857 H ALA 109 H ALA 109 -24.737 13.447 -0.554 858 HA ALA 109 HA ALA 109 -25.942 15.723 0.723 859 HB1 ALA 109 3HB ALA 109 -27.029 16.049 -1.537 860 HB2 ALA 109 1HB ALA 109 -25.302 15.691 -1.645 861 HB3 ALA 109 2HB ALA 109 -26.502 14.426 -2.030 862 H ARG 110 H ARG 110 -27.818 16.156 1.255 863 HA ARG 110 HA ARG 110 -30.142 14.174 1.427 864 HE ARG 110 HE ARG 110 -26.424 14.456 4.060 865 HB2 ARG 110 1HB ARG 110 -30.327 14.184 3.814 866 HB3 ARG 110 2HB ARG 110 -28.739 13.651 3.321 867 HG2 ARG 110 1HG ARG 110 -28.119 16.317 3.817 868 HG3 ARG 110 2HG ARG 110 -29.586 16.221 4.748 869 HD2 ARG 110 1HD ARG 110 -27.868 15.768 6.301 870 HD3 ARG 110 2HD ARG 110 -28.558 14.156 5.997 871 HH11 ARG 110 2HH2 ARG 110 -26.610 14.412 7.535 872 HH12 ARG 110 1HH2 ARG 110 -24.853 13.920 7.681 873 HH21 ARG 110 2HH1 ARG 110 -24.513 13.921 4.246 874 HH22 ARG 110 1HH1 ARG 110 -23.706 13.666 5.876 875 H ASP 111 H ASP 111 -32.026 15.105 1.025 876 HA ASP 111 HA ASP 111 -32.281 18.052 0.903 877 HB2 ASP 111 1HB ASP 111 -34.278 17.657 -0.346 878 HB3 ASP 111 2HB ASP 111 -33.040 16.574 -0.910 879 H LYS 112 H LYS 112 -34.492 18.890 1.443 880 HA LYS 112 HA LYS 112 -35.903 17.555 3.685 881 HB2 LYS 112 1HB LYS 112 -34.459 19.431 4.773 882 HB3 LYS 112 2HB LYS 112 -35.442 20.598 3.915 883 HG2 LYS 112 1HG LYS 112 -36.327 20.505 6.100 884 HG3 LYS 112 2HG LYS 112 -37.523 19.664 5.119 885 HD2 LYS 112 1HD LYS 112 -36.538 17.425 5.855 886 HD3 LYS 112 2HD LYS 112 -35.295 18.275 6.776 887 HE2 LYS 112 1HE LYS 112 -37.110 19.356 8.221 888 HE3 LYS 112 2HE LYS 112 -38.352 18.501 7.294 889 HZ1 LYS 112 3HZ LYS 112 -37.281 16.341 7.984 890 HZ2 LYS 112 1HZ LYS 112 -36.135 17.135 8.841 891 HZ3 LYS 112 2HZ LYS 112 -37.704 17.190 9.329 892 H LYS 113 H LYS 113 -36.757 17.010 1.553 893 HA LYS 113 HA LYS 113 -38.291 18.992 0.038 894 HB2 LYS 113 1HB LYS 113 -36.960 17.075 -0.798 895 HB3 LYS 113 2HB LYS 113 -38.110 15.924 -0.128 896 HG2 LYS 113 1HG LYS 113 -39.887 16.811 -1.728 897 HG3 LYS 113 2HG LYS 113 -38.719 17.989 -2.359 898 HD2 LYS 113 1HD LYS 113 -37.142 16.077 -2.970 899 HD3 LYS 113 2HD LYS 113 -38.315 14.914 -2.346 900 HE2 LYS 113 1HE LYS 113 -40.021 15.696 -4.079 901 HE3 LYS 113 2HE LYS 113 -38.851 16.869 -4.702 902 HZ1 LYS 113 3HZ LYS 113 -37.297 14.962 -5.177 903 HZ2 LYS 113 1HZ LYS 113 -38.380 13.880 -4.609 904 HZ3 LYS 113 2HZ LYS 113 -38.710 14.719 -5.987 905 H LYS 114 H LYS 114 -39.681 19.741 1.721 906 HA LYS 114 HA LYS 114 -42.437 18.447 1.441 907 HB2 LYS 114 1HB LYS 114 -41.279 17.734 3.625 908 HB3 LYS 114 2HB LYS 114 -41.365 19.391 4.186 909 HG2 LYS 114 1HG LYS 114 -43.786 17.629 3.366 910 HG3 LYS 114 2HG LYS 114 -43.136 17.737 4.993 911 HD2 LYS 114 1HD LYS 114 -43.642 20.231 5.053 912 HD3 LYS 114 2HD LYS 114 -44.346 20.116 3.441 913 HE2 LYS 114 1HE LYS 114 -46.029 18.394 4.287 914 HE3 LYS 114 2HE LYS 114 -45.384 18.563 5.920 915 HZ1 LYS 114 3HZ LYS 114 -47.402 20.108 5.108 916 HZ2 LYS 114 1HZ LYS 114 -46.232 20.791 6.068 917 HZ3 LYS 114 2HZ LYS 114 -46.212 21.040 4.449 918 H GLN 115 H GLN 115 -42.990 20.068 0.021 919 HA GLN 115 HA GLN 115 -42.999 22.939 0.960 920 HB2 GLN 115 1HB GLN 115 -42.115 22.242 -1.274 921 HB3 GLN 115 2HB GLN 115 -43.703 21.692 -1.759 922 HG2 GLN 115 1HG GLN 115 -43.974 24.487 -0.824 923 HG3 GLN 115 2HG GLN 115 -42.500 24.406 -1.747 924 HE21 GLN 115 1HE2 GLN 115 -42.851 24.784 -3.919 925 HE22 GLN 115 2HE2 GLN 115 -44.469 24.484 -4.744 926 H ARG 116 H ARG 116 -45.675 22.539 -1.030 927 HA ARG 116 HA ARG 116 -47.457 23.138 1.293 928 HE ARG 116 HE ARG 116 -50.794 21.933 -1.752 929 HB2 ARG 116 1HB ARG 116 -47.411 24.337 -0.998 930 HB3 ARG 116 2HB ARG 116 -48.269 22.972 -1.667 931 HG2 ARG 116 1HG ARG 116 -49.671 23.861 0.814 932 HG3 ARG 116 2HG ARG 116 -49.213 25.276 -0.093 933 HD2 ARG 116 1HD ARG 116 -51.423 24.763 -0.844 934 HD3 ARG 116 2HD ARG 116 -50.376 24.317 -2.165 935 HH11 ARG 116 2HH2 ARG 116 -52.280 23.782 0.847 936 HH12 ARG 116 1HH2 ARG 116 -53.003 22.191 1.489 937 HH21 ARG 116 2HH1 ARG 116 -51.795 20.281 -0.964 938 HH22 ARG 116 1HH1 ARG 116 -52.789 20.514 0.584 939 H GLY 117 H GLY 117 -46.908 20.933 1.986 940 HA2 GLY 117 1HA GLY 117 -48.996 18.850 1.322 941 HA3 GLY 117 2HA GLY 117 -47.703 18.668 2.477 942 H ARG 118 H ARG 118 -50.841 20.076 1.989 943 HA ARG 118 HA ARG 118 -51.660 19.471 4.779 944 HE ARG 118 HE ARG 118 -54.199 20.425 5.170 945 HB2 ARG 118 1HB ARG 118 -50.529 21.893 4.736 946 HB3 ARG 118 2HB ARG 118 -51.999 22.445 3.977 947 HG2 ARG 118 1HG ARG 118 -51.978 20.885 6.667 948 HG3 ARG 118 2HG ARG 118 -51.546 22.570 6.583 949 HD2 ARG 118 1HD ARG 118 -53.799 22.482 7.321 950 HD3 ARG 118 2HD ARG 118 -53.814 23.190 5.687 951 HH11 ARG 118 2HH2 ARG 118 -56.041 22.784 6.947 952 HH12 ARG 118 1HH2 ARG 118 -57.599 22.112 6.254 953 HH21 ARG 118 2HH1 ARG 118 -55.784 19.766 4.462 954 HH22 ARG 118 1HH1 ARG 118 -57.464 20.398 4.881 Start of MODEL 12 1 HA MET 1 HA MET 1 13.694 18.830 1.391 2 H1 MET 1 1H MET 1 14.904 21.345 0.347 3 H2 MET 1 2H MET 1 13.744 20.358 -0.356 4 H3 MET 1 3H MET 1 13.357 21.360 0.925 5 HB2 MET 1 1HB MET 1 16.605 19.859 1.058 6 HB3 MET 1 2HB MET 1 16.209 18.430 1.990 7 HG2 MET 1 1HG MET 1 15.096 17.352 0.015 8 HG3 MET 1 2HG MET 1 15.532 18.725 -1.011 9 HE1 MET 1 3HE MET 1 17.959 15.728 -1.976 10 HE2 MET 1 1HE MET 1 16.297 15.566 -1.336 11 HE3 MET 1 2HE MET 1 16.667 16.821 -2.554 12 H ALA 2 H ALA 2 13.985 18.223 3.518 13 HA ALA 2 HA ALA 2 13.857 20.470 5.580 14 HB1 ALA 2 3HB ALA 2 12.935 17.508 5.721 15 HB2 ALA 2 1HB ALA 2 12.754 18.709 7.014 16 HB3 ALA 2 2HB ALA 2 11.881 18.924 5.490 17 H GLY 3 H GLY 3 15.007 20.129 7.509 18 HA2 GLY 3 1HA GLY 3 17.799 19.022 7.213 19 HA3 GLY 3 2HA GLY 3 17.181 19.887 8.600 20 H SER 4 H SER 4 16.608 16.798 6.988 21 HA SER 4 HA SER 4 17.141 15.269 9.576 22 HG SER 4 HG SER 4 15.145 14.072 10.646 23 HB2 SER 4 1HB SER 4 14.678 15.930 9.565 24 HB3 SER 4 2HB SER 4 14.451 15.026 8.066 25 H GLY 5 H GLY 5 18.652 13.871 8.900 26 HA2 GLY 5 1HA GLY 5 18.656 12.500 6.212 27 HA3 GLY 5 2HA GLY 5 19.777 12.212 7.526 28 H ILE 6 H ILE 6 16.373 11.782 6.856 29 HA ILE 6 HA ILE 6 16.165 9.590 8.802 30 HB ILE 6 HB ILE 6 14.681 11.398 8.822 31 HG12 ILE 6 1HG1 ILE 6 12.998 8.871 8.314 32 HG13 ILE 6 2HG1 ILE 6 14.098 9.001 9.676 33 HG21 ILE 6 1HG2 ILE 6 12.804 11.745 7.251 34 HG22 ILE 6 2HG2 ILE 6 14.354 11.814 6.394 35 HG23 ILE 6 3HG2 ILE 6 13.331 10.374 6.235 36 HD11 ILE 6 3HD1 ILE 6 12.895 11.026 10.549 37 HD12 ILE 6 1HD1 ILE 6 11.754 10.955 9.191 38 HD13 ILE 6 2HD1 ILE 6 11.802 9.636 10.365 39 H ILE 7 H ILE 7 17.598 8.176 7.607 40 HA ILE 7 HA ILE 7 16.417 6.511 5.445 41 HB ILE 7 HB ILE 7 18.764 6.981 5.494 42 HG12 ILE 7 1HG1 ILE 7 19.691 4.681 5.063 43 HG13 ILE 7 2HG1 ILE 7 18.244 3.946 5.732 44 HG21 ILE 7 1HG2 ILE 7 20.412 5.912 6.966 45 HG22 ILE 7 2HG2 ILE 7 19.318 6.883 7.958 46 HG23 ILE 7 3HG2 ILE 7 19.151 5.116 7.931 47 HD11 ILE 7 3HD1 ILE 7 18.252 4.036 3.213 48 HD12 ILE 7 1HD1 ILE 7 16.867 4.941 3.844 49 HD13 ILE 7 2HD1 ILE 7 18.303 5.810 3.247 50 H TYR 8 H TYR 8 14.494 6.051 6.429 51 HA TYR 8 HA TYR 8 14.418 3.914 8.616 52 HD1 TYR 8 HD2 TYR 8 11.623 3.368 9.335 53 HD2 TYR 8 HD1 TYR 8 12.557 7.336 10.746 54 HE1 TYR 8 HE2 TYR 8 9.863 3.206 11.008 55 HE2 TYR 8 HE1 TYR 8 10.785 7.137 12.420 56 HH TYR 8 HH TYR 8 8.374 4.836 12.005 57 HB2 TYR 8 1HB TYR 8 13.966 6.362 9.079 58 HB3 TYR 8 2HB TYR 8 12.574 6.313 8.015 59 H LYS 9 H LYS 9 14.249 2.165 7.205 60 HA LYS 9 HA LYS 9 11.413 1.734 6.101 61 HB2 LYS 9 1HB LYS 9 13.119 2.246 4.283 62 HB3 LYS 9 2HB LYS 9 14.020 0.794 4.720 63 HG2 LYS 9 1HG LYS 9 12.012 -0.628 4.165 64 HG3 LYS 9 2HG LYS 9 11.046 0.822 3.840 65 HD2 LYS 9 1HD LYS 9 12.791 1.430 2.006 66 HD3 LYS 9 2HD LYS 9 13.519 -0.149 2.242 67 HE2 LYS 9 1HE LYS 9 10.567 0.392 1.419 68 HE3 LYS 9 2HE LYS 9 11.873 0.057 0.289 69 HZ1 LYS 9 3HZ LYS 9 12.096 -2.236 1.286 70 HZ2 LYS 9 1HZ LYS 9 10.955 -1.893 2.413 71 HZ3 LYS 9 2HZ LYS 9 10.532 -2.004 0.844 72 H GLN 10 H GLN 10 10.527 0.213 7.354 73 HA GLN 10 HA GLN 10 12.353 -1.416 9.120 74 HB2 GLN 10 1HB GLN 10 9.354 -0.818 9.428 75 HB3 GLN 10 2HB GLN 10 10.359 -1.631 10.613 76 HG2 GLN 10 1HG GLN 10 10.606 1.299 9.710 77 HG3 GLN 10 2HG GLN 10 9.939 0.703 11.203 78 HE21 GLN 10 1HE2 GLN 10 13.014 0.852 9.420 79 HE22 GLN 10 2HE2 GLN 10 14.013 0.862 10.958 80 HA PRO 11 HA PRO 11 11.365 -5.320 7.257 81 HB2 PRO 11 1HB PRO 11 12.161 -7.164 9.149 82 HB3 PRO 11 2HB PRO 11 13.263 -6.021 8.354 83 HG2 PRO 11 1HG PRO 11 11.871 -5.625 11.089 84 HG3 PRO 11 2HG PRO 11 13.628 -5.563 10.764 85 HD2 PRO 11 1HD PRO 11 12.158 -3.240 10.790 86 HD3 PRO 11 2HD PRO 11 13.420 -3.466 9.539 87 H ILE 12 H ILE 12 9.084 -4.643 7.295 88 HA ILE 12 HA ILE 12 7.751 -7.286 7.726 89 HB ILE 12 HB ILE 12 7.078 -6.118 9.714 90 HG12 ILE 12 1HG1 ILE 12 5.670 -7.875 9.043 91 HG13 ILE 12 2HG1 ILE 12 4.759 -6.598 9.805 92 HG21 ILE 12 1HG2 ILE 12 5.434 -4.299 9.828 93 HG22 ILE 12 2HG2 ILE 12 6.920 -3.747 9.046 94 HG23 ILE 12 3HG2 ILE 12 5.470 -4.094 8.067 95 HD11 ILE 12 3HD1 ILE 12 3.450 -7.521 7.976 96 HD12 ILE 12 1HD1 ILE 12 3.867 -5.847 7.560 97 HD13 ILE 12 2HD1 ILE 12 4.726 -7.187 6.779 98 H TYR 13 H TYR 13 7.995 -7.679 5.586 99 HA TYR 13 HA TYR 13 6.704 -5.934 3.518 100 HD1 TYR 13 HD2 TYR 13 7.064 -3.957 2.042 101 HD2 TYR 13 HD1 TYR 13 10.220 -3.724 4.952 102 HE1 TYR 13 HE2 TYR 13 6.912 -1.516 2.002 103 HE2 TYR 13 HE1 TYR 13 10.008 -1.276 4.968 104 HH TYR 13 HH TYR 13 7.640 0.388 2.901 105 HB2 TYR 13 1HB TYR 13 9.737 -5.855 4.062 106 HB3 TYR 13 2HB TYR 13 9.250 -5.741 2.421 107 H GLN 14 H GLN 14 5.917 -8.259 3.721 108 HA GLN 14 HA GLN 14 7.123 -9.943 1.548 109 HB2 GLN 14 1HB GLN 14 5.765 -11.664 2.070 110 HB3 GLN 14 2HB GLN 14 6.310 -10.935 3.562 111 HG2 GLN 14 1HG GLN 14 3.469 -10.934 2.402 112 HG3 GLN 14 2HG GLN 14 4.059 -11.772 3.802 113 HE21 GLN 14 1HE2 GLN 14 4.771 -10.310 5.619 114 HE22 GLN 14 2HE2 GLN 14 3.826 -8.747 5.807 115 H GLY 15 H GLY 15 7.039 -8.202 0.422 116 HA2 GLY 15 1HA GLY 15 5.782 -7.495 -2.027 117 HA3 GLY 15 2HA GLY 15 4.569 -7.009 -0.843 118 H ASN 16 H ASN 16 7.896 -6.590 -1.786 119 HA ASN 16 HA ASN 16 8.690 -5.071 0.450 120 HB2 ASN 16 1HB ASN 16 10.057 -6.531 -1.080 121 HB3 ASN 16 2HB ASN 16 10.095 -5.240 -2.276 122 HD21 ASN 16 1HD2 ASN 16 12.391 -5.471 -2.089 123 HD22 ASN 16 2HD2 ASN 16 13.265 -4.781 -0.630 124 H LEU 17 H LEU 17 7.231 -3.526 -2.283 125 HA LEU 17 HA LEU 17 8.375 -0.809 -1.419 126 HG LEU 17 HG LEU 17 9.869 -0.547 -3.392 127 HB2 LEU 17 1HB LEU 17 7.060 -1.690 -4.065 128 HB3 LEU 17 2HB LEU 17 7.394 -0.038 -3.607 129 HD11 LEU 17 1HD1 LEU 17 10.718 -2.535 -4.729 130 HD12 LEU 17 2HD1 LEU 17 9.947 -3.035 -3.231 131 HD13 LEU 17 3HD1 LEU 17 9.075 -3.213 -4.772 132 HD21 LEU 17 3HD2 LEU 17 8.881 0.591 -5.371 133 HD22 LEU 17 1HD2 LEU 17 10.171 -0.489 -5.902 134 HD23 LEU 17 2HD2 LEU 17 8.468 -0.974 -6.118 135 H ILE 18 H ILE 18 5.183 -1.423 -2.897 136 HA ILE 18 HA ILE 18 3.858 0.378 -0.891 137 HB ILE 18 HB ILE 18 3.121 -0.958 -3.509 138 HG12 ILE 18 1HG1 ILE 18 4.132 1.331 -3.354 139 HG13 ILE 18 2HG1 ILE 18 2.657 1.191 -4.272 140 HG21 ILE 18 1HG2 ILE 18 1.131 -1.642 -2.419 141 HG22 ILE 18 2HG2 ILE 18 0.910 -0.086 -1.596 142 HG23 ILE 18 3HG2 ILE 18 0.730 -0.199 -3.366 143 HD11 ILE 18 3HD1 ILE 18 2.726 3.289 -2.913 144 HD12 ILE 18 1HD1 ILE 18 1.335 2.299 -2.447 145 HD13 ILE 18 2HD1 ILE 18 2.765 2.362 -1.402 146 H LYS 19 H LYS 19 3.421 -0.314 1.071 147 HA LYS 19 HA LYS 19 1.989 -2.916 1.596 148 HB2 LYS 19 1HB LYS 19 4.503 -3.415 1.389 149 HB3 LYS 19 2HB LYS 19 4.777 -2.336 2.737 150 HG2 LYS 19 1HG LYS 19 4.813 -4.285 3.858 151 HG3 LYS 19 2HG LYS 19 3.122 -3.937 4.099 152 HD2 LYS 19 1HD LYS 19 4.363 -5.850 2.001 153 HD3 LYS 19 2HD LYS 19 3.642 -6.292 3.536 154 HE2 LYS 19 1HE LYS 19 1.374 -5.319 2.669 155 HE3 LYS 19 2HE LYS 19 2.141 -5.103 1.090 156 HZ1 LYS 19 3HZ LYS 19 0.962 -7.441 1.677 157 HZ2 LYS 19 1HZ LYS 19 2.422 -7.499 0.857 158 HZ3 LYS 19 2HZ LYS 19 2.359 -7.771 2.451 159 H GLN 20 H GLN 20 0.388 -2.282 2.953 160 HA GLN 20 HA GLN 20 0.697 0.155 4.652 161 HB2 GLN 20 1HB GLN 20 -1.170 -0.302 3.115 162 HB3 GLN 20 2HB GLN 20 -1.703 -1.667 4.092 163 HG2 GLN 20 1HG GLN 20 -2.334 -0.189 5.957 164 HG3 GLN 20 2HG GLN 20 -1.510 1.189 5.235 165 HE21 GLN 20 1HE2 GLN 20 -3.893 1.766 5.873 166 HE22 GLN 20 2HE2 GLN 20 -4.961 1.870 4.379 167 H ASN 21 H ASN 21 2.377 -1.274 5.719 168 HA ASN 21 HA ASN 21 1.486 -1.045 8.498 169 HB2 ASN 21 1HB ASN 21 0.929 -3.479 8.163 170 HB3 ASN 21 2HB ASN 21 2.626 -3.826 7.896 171 HD21 ASN 21 1HD2 ASN 21 0.895 -1.818 10.448 172 HD22 ASN 21 2HD2 ASN 21 1.631 -2.870 11.754 173 H ALA 22 H ALA 22 4.366 -2.322 6.676 174 HA ALA 22 HA ALA 22 6.274 -0.720 8.306 175 HB1 ALA 22 3HB ALA 22 7.034 -2.734 7.038 176 HB2 ALA 22 1HB ALA 22 6.618 -1.968 5.504 177 HB3 ALA 22 2HB ALA 22 7.914 -1.306 6.532 178 H VAL 23 H VAL 23 4.596 0.032 5.204 179 HA VAL 23 HA VAL 23 5.773 2.744 5.029 180 HB VAL 23 HB VAL 23 3.162 1.755 3.818 181 HG11 VAL 23 1HG1 VAL 23 3.389 3.713 2.221 182 HG12 VAL 23 2HG1 VAL 23 3.338 4.324 3.874 183 HG13 VAL 23 3HG1 VAL 23 4.889 4.221 3.036 184 HG21 VAL 23 3HG2 VAL 23 4.459 1.521 1.674 185 HG22 VAL 23 1HG2 VAL 23 5.975 1.894 2.541 186 HG23 VAL 23 2HG2 VAL 23 5.066 0.416 2.911 187 H GLU 24 H GLU 24 2.820 1.524 6.591 188 HA GLU 24 HA GLU 24 1.857 4.009 7.827 189 HB2 GLU 24 1HB GLU 24 0.599 1.904 7.664 190 HB3 GLU 24 2HB GLU 24 1.829 1.049 8.579 191 HG2 GLU 24 1HG GLU 24 1.190 2.357 10.668 192 HG3 GLU 24 2HG GLU 24 -0.117 3.114 9.750 193 H GLN 25 H GLN 25 4.277 1.658 8.992 194 HA GLN 25 HA GLN 25 5.032 3.283 11.334 195 HB2 GLN 25 1HB GLN 25 5.171 0.757 11.115 196 HB3 GLN 25 2HB GLN 25 6.511 0.939 9.996 197 HG2 GLN 25 1HG GLN 25 7.404 0.334 12.105 198 HG3 GLN 25 2HG GLN 25 7.919 1.976 11.835 199 HE21 GLN 25 1HE2 GLN 25 6.560 3.669 13.020 200 HE22 GLN 25 2HE2 GLN 25 5.908 3.134 14.653 201 H LEU 26 H LEU 26 6.502 3.233 8.079 202 HA LEU 26 HA LEU 26 9.030 4.152 8.729 203 HG LEU 26 HG LEU 26 6.552 4.558 5.913 204 HB2 LEU 26 1HB LEU 26 9.533 4.794 6.540 205 HB3 LEU 26 2HB LEU 26 8.643 3.301 6.660 206 HD11 LEU 26 1HD1 LEU 26 8.502 6.728 4.951 207 HD12 LEU 26 2HD1 LEU 26 6.761 6.586 4.569 208 HD13 LEU 26 3HD1 LEU 26 7.270 6.955 6.205 209 HD21 LEU 26 3HD2 LEU 26 8.946 4.442 3.942 210 HD22 LEU 26 1HD2 LEU 26 7.980 3.032 4.429 211 HD23 LEU 26 2HD2 LEU 26 7.221 4.342 3.511 212 H GLN 27 H GLN 27 6.462 6.360 8.931 213 HA GLN 27 HA GLN 27 6.403 8.742 9.304 214 HB2 GLN 27 1HB GLN 27 6.802 7.233 11.317 215 HB3 GLN 27 2HB GLN 27 8.495 7.708 11.280 216 HG2 GLN 27 1HG GLN 27 7.765 10.147 11.684 217 HG3 GLN 27 2HG GLN 27 6.089 9.621 11.663 218 HE21 GLN 27 1HE2 GLN 27 9.139 8.835 13.281 219 HE22 GLN 27 2HE2 GLN 27 8.317 8.468 14.891 220 H VAL 28 H VAL 28 7.862 8.691 7.100 221 HA VAL 28 HA VAL 28 10.270 10.472 7.403 222 HB VAL 28 HB VAL 28 8.907 9.227 4.938 223 HG11 VAL 28 1HG1 VAL 28 10.950 9.904 3.629 224 HG12 VAL 28 2HG1 VAL 28 9.934 11.271 4.061 225 HG13 VAL 28 3HG1 VAL 28 11.439 10.957 4.955 226 HG21 VAL 28 3HG2 VAL 28 11.665 8.661 6.260 227 HG22 VAL 28 1HG2 VAL 28 10.237 7.631 6.446 228 HG23 VAL 28 2HG2 VAL 28 10.978 7.819 4.852 229 H GLY 29 H GLY 29 10.511 12.399 6.408 230 HA2 GLY 29 1HA GLY 29 8.202 14.115 5.549 231 HA3 GLY 29 2HA GLY 29 8.862 14.650 7.078 232 H GLN 30 H GLN 30 10.187 13.518 3.976 233 HA GLN 30 HA GLN 30 12.137 15.879 3.978 234 HB2 GLN 30 1HB GLN 30 13.075 13.715 4.667 235 HB3 GLN 30 2HB GLN 30 12.540 12.928 3.191 236 HG2 GLN 30 1HG GLN 30 14.923 13.365 3.064 237 HG3 GLN 30 2HG GLN 30 14.098 14.258 1.811 238 HE21 GLN 30 1HE2 GLN 30 15.948 14.629 4.790 239 HE22 GLN 30 2HE2 GLN 30 16.094 16.446 4.559 240 H SER 31 H SER 31 10.910 13.568 1.515 241 HA SER 31 HA SER 31 10.724 15.862 -0.493 242 HG SER 31 HG SER 31 13.031 16.468 -0.984 243 HB2 SER 31 1HB SER 31 12.786 13.578 -0.722 244 HB3 SER 31 2HB SER 31 12.312 14.598 -2.090 245 H LYS 32 H LYS 32 9.079 15.559 -1.721 246 HA LYS 32 HA LYS 32 7.447 13.302 -2.005 247 HB2 LYS 32 1HB LYS 32 6.221 14.465 -3.719 248 HB3 LYS 32 2HB LYS 32 6.673 15.473 -2.364 249 HG2 LYS 32 1HG LYS 32 8.578 16.449 -3.858 250 HG3 LYS 32 2HG LYS 32 7.836 15.599 -5.220 251 HD2 LYS 32 1HD LYS 32 5.673 16.816 -4.878 252 HD3 LYS 32 2HD LYS 32 6.234 17.478 -3.352 253 HE2 LYS 32 1HE LYS 32 8.201 18.610 -4.772 254 HE3 LYS 32 2HE LYS 32 7.240 18.183 -6.193 255 HZ1 LYS 32 3HZ LYS 32 6.581 20.451 -5.331 256 HZ2 LYS 32 1HZ LYS 32 5.290 19.449 -5.062 257 HZ3 LYS 32 2HZ LYS 32 6.266 19.842 -3.827 258 H GLN 33 H GLN 33 9.907 14.157 -4.344 259 HA GLN 33 HA GLN 33 9.410 11.762 -6.071 260 HB2 GLN 33 1HB GLN 33 11.342 12.353 -7.349 261 HB3 GLN 33 2HB GLN 33 10.337 13.762 -7.081 262 HG2 GLN 33 1HG GLN 33 11.971 14.544 -5.250 263 HG3 GLN 33 2HG GLN 33 12.990 13.157 -5.582 264 HE21 GLN 33 1HE2 GLN 33 14.252 13.208 -7.517 265 HE22 GLN 33 2HE2 GLN 33 14.352 14.763 -8.500 266 H GLN 34 H GLN 34 11.390 12.207 -3.218 267 HA GLN 34 HA GLN 34 12.919 9.649 -3.595 268 HB2 GLN 34 1HB GLN 34 12.500 11.351 -1.060 269 HB3 GLN 34 2HB GLN 34 13.488 9.909 -1.130 270 HG2 GLN 34 1HG GLN 34 14.005 12.469 -2.772 271 HG3 GLN 34 2HG GLN 34 14.774 12.050 -1.254 272 HE21 GLN 34 1HE2 GLN 34 16.318 12.625 -3.365 273 HE22 GLN 34 2HE2 GLN 34 17.129 11.068 -3.927 274 H VAL 35 H VAL 35 10.052 10.561 -1.557 275 HA VAL 35 HA VAL 35 9.639 7.756 -0.726 276 HB VAL 35 HB VAL 35 8.911 9.760 0.604 277 HG11 VAL 35 1HG1 VAL 35 7.678 11.063 -1.205 278 HG12 VAL 35 2HG1 VAL 35 6.420 9.833 -1.230 279 HG13 VAL 35 3HG1 VAL 35 6.699 10.782 0.247 280 HG21 VAL 35 3HG2 VAL 35 8.172 7.445 1.178 281 HG22 VAL 35 1HG2 VAL 35 6.928 8.646 1.577 282 HG23 VAL 35 2HG2 VAL 35 6.745 7.622 0.134 283 H SER 36 H SER 36 8.255 9.639 -3.417 284 HA SER 36 HA SER 36 6.569 7.347 -4.295 285 HG SER 36 HG SER 36 5.173 9.087 -6.850 286 HB2 SER 36 1HB SER 36 6.304 9.958 -4.901 287 HB3 SER 36 2HB SER 36 7.313 9.532 -6.288 288 H ALA 37 H ALA 37 9.877 8.324 -5.248 289 HA ALA 37 HA ALA 37 10.177 6.125 -7.216 290 HB1 ALA 37 3HB ALA 37 12.632 6.610 -7.001 291 HB2 ALA 37 1HB ALA 37 11.695 8.103 -7.197 292 HB3 ALA 37 2HB ALA 37 12.318 7.653 -5.593 293 H LEU 38 H LEU 38 10.934 6.269 -3.714 294 HA LEU 38 HA LEU 38 11.852 3.437 -3.578 295 HG LEU 38 HG LEU 38 13.475 3.590 -1.696 296 HB2 LEU 38 1HB LEU 38 11.085 5.550 -1.485 297 HB3 LEU 38 2HB LEU 38 11.120 3.877 -0.990 298 HD11 LEU 38 1HD1 LEU 38 13.728 5.432 -3.423 299 HD12 LEU 38 2HD1 LEU 38 13.504 6.657 -2.159 300 HD13 LEU 38 3HD1 LEU 38 14.919 5.586 -2.126 301 HD21 LEU 38 3HD2 LEU 38 14.399 4.909 0.238 302 HD22 LEU 38 1HD2 LEU 38 12.932 5.916 0.277 303 HD23 LEU 38 2HD2 LEU 38 12.842 4.181 0.666 304 H LEU 39 H LEU 39 8.633 4.856 -2.949 305 HA LEU 39 HA LEU 39 7.334 2.184 -2.606 306 HG LEU 39 HG LEU 39 7.187 4.627 -0.845 307 HB2 LEU 39 1HB LEU 39 6.301 5.018 -3.219 308 HB3 LEU 39 2HB LEU 39 5.211 3.669 -3.026 309 HD11 LEU 39 1HD1 LEU 39 5.416 6.310 -1.276 310 HD12 LEU 39 2HD1 LEU 39 4.134 5.067 -1.059 311 HD13 LEU 39 3HD1 LEU 39 5.176 5.546 0.298 312 HD21 LEU 39 3HD2 LEU 39 4.894 2.550 -0.677 313 HD22 LEU 39 1HD2 LEU 39 6.621 2.203 -0.514 314 HD23 LEU 39 2HD2 LEU 39 5.812 3.182 0.702 315 H GLY 40 H GLY 40 7.931 4.140 -5.427 316 HA2 GLY 40 1HA GLY 40 8.368 2.964 -7.618 317 HA3 GLY 40 2HA GLY 40 7.260 1.689 -7.164 318 H THR 41 H THR 41 7.132 5.230 -7.576 319 HA THR 41 HA THR 41 4.977 5.171 -9.671 320 HB THR 41 HB THR 41 4.453 6.182 -6.780 321 HG1 THR 41 HG1 THR 41 4.242 3.797 -7.788 322 HG21 THR 41 3HG2 THR 41 2.422 6.007 -9.112 323 HG22 THR 41 1HG2 THR 41 2.081 6.452 -7.442 324 HG23 THR 41 2HG2 THR 41 3.054 7.533 -8.438 325 HA PRO 42 HA PRO 42 6.874 9.441 -10.051 326 HB2 PRO 42 1HB PRO 42 4.932 10.734 -11.598 327 HB3 PRO 42 2HB PRO 42 6.067 9.523 -12.231 328 HG2 PRO 42 1HG PRO 42 3.178 9.034 -11.278 329 HG3 PRO 42 2HG PRO 42 3.887 8.570 -12.848 330 HD2 PRO 42 1HD PRO 42 3.735 6.768 -10.764 331 HD3 PRO 42 2HD PRO 42 5.176 6.747 -11.802 332 H SER 43 H SER 43 6.386 11.679 -9.360 333 HA SER 43 HA SER 43 4.317 11.856 -7.138 334 HG SER 43 HG SER 43 7.523 13.430 -8.263 335 HB2 SER 43 1HB SER 43 5.549 13.691 -6.256 336 HB3 SER 43 2HB SER 43 6.648 12.341 -6.537 337 H ILE 44 H ILE 44 5.122 14.820 -8.557 338 HA ILE 44 HA ILE 44 2.949 14.803 -10.608 339 HB ILE 44 HB ILE 44 2.755 16.865 -8.327 340 HG12 ILE 44 1HG1 ILE 44 0.665 14.926 -9.530 341 HG13 ILE 44 2HG1 ILE 44 1.539 14.646 -8.031 342 HG21 ILE 44 1HG2 ILE 44 2.566 18.055 -10.569 343 HG22 ILE 44 2HG2 ILE 44 1.367 16.853 -11.110 344 HG23 ILE 44 3HG2 ILE 44 0.995 17.992 -9.788 345 HD11 ILE 44 3HD1 ILE 44 -0.436 16.972 -8.456 346 HD12 ILE 44 1HD1 ILE 44 -0.667 15.510 -7.494 347 HD13 ILE 44 2HD1 ILE 44 0.552 16.709 -6.997 348 HA PRO 45 HA PRO 45 6.840 17.060 -11.849 349 HB2 PRO 45 1HB PRO 45 6.820 16.572 -14.561 350 HB3 PRO 45 2HB PRO 45 7.164 15.325 -13.343 351 HG2 PRO 45 1HG PRO 45 4.444 15.897 -14.685 352 HG3 PRO 45 2HG PRO 45 5.301 14.332 -14.631 353 HD2 PRO 45 1HD PRO 45 3.342 14.962 -12.769 354 HD3 PRO 45 2HD PRO 45 4.791 14.038 -12.262 355 H ASP 46 H ASP 46 5.384 18.800 -11.006 356 HA ASP 46 HA ASP 46 5.037 20.937 -13.182 357 HB2 ASP 46 1HB ASP 46 2.911 20.588 -12.089 358 HB3 ASP 46 2HB ASP 46 3.599 20.774 -10.483 359 HA PRO 47 HA PRO 47 8.581 22.804 -10.725 360 HB2 PRO 47 1HB PRO 47 9.376 24.703 -12.548 361 HB3 PRO 47 2HB PRO 47 9.692 22.969 -12.779 362 HG2 PRO 47 1HG PRO 47 7.370 24.606 -13.979 363 HG3 PRO 47 2HG PRO 47 8.509 23.553 -14.859 364 HD2 PRO 47 1HD PRO 47 5.990 22.707 -13.980 365 HD3 PRO 47 2HD PRO 47 7.361 21.557 -14.109 366 H PHE 48 H PHE 48 5.477 24.166 -11.542 367 HA PHE 48 HA PHE 48 6.007 26.811 -10.176 368 HD1 PHE 48 HD1 PHE 48 3.463 27.732 -8.771 369 HD2 PHE 48 HD2 PHE 48 3.563 28.287 -13.045 370 HE1 PHE 48 HE1 PHE 48 2.550 29.992 -8.505 371 HE2 PHE 48 HE2 PHE 48 2.664 30.551 -12.761 372 HZ PHE 48 HZ PHE 48 2.150 31.416 -10.495 373 HB2 PHE 48 1HB PHE 48 4.452 26.311 -12.213 374 HB3 PHE 48 2HB PHE 48 3.306 25.663 -11.090 375 H HIS 49 H HIS 49 3.542 24.237 -9.411 376 HA HIS 49 HA HIS 49 4.693 23.932 -6.708 377 HD1 HIS 49 HD1 HIS 49 4.609 25.298 -3.945 378 HD2 HIS 49 HD2 HIS 49 0.754 23.674 -4.890 379 HE1 HIS 49 HE1 HIS 49 3.570 24.182 -1.876 380 HB2 HIS 49 1HB HIS 49 3.407 26.070 -6.361 381 HB3 HIS 49 2HB HIS 49 1.909 25.260 -6.802 382 H ALA 50 H ALA 50 4.804 21.882 -7.793 383 HA ALA 50 HA ALA 50 2.616 20.137 -8.260 384 HB1 ALA 50 3HB ALA 50 4.834 19.647 -9.005 385 HB2 ALA 50 1HB ALA 50 5.515 19.597 -7.384 386 HB3 ALA 50 2HB ALA 50 4.375 18.355 -7.904 387 H GLN 51 H GLN 51 1.021 19.987 -6.862 388 HA GLN 51 HA GLN 51 1.148 20.046 -3.966 389 HB2 GLN 51 1HB GLN 51 -1.076 19.170 -5.945 390 HB3 GLN 51 2HB GLN 51 -1.372 19.423 -4.240 391 HG2 GLN 51 1HG GLN 51 -0.705 21.810 -4.355 392 HG3 GLN 51 2HG GLN 51 -0.392 21.665 -6.085 393 HE21 GLN 51 1HE2 GLN 51 -2.003 23.203 -6.527 394 HE22 GLN 51 2HE2 GLN 51 -3.787 22.797 -6.320 395 H ARG 52 H ARG 52 -0.609 18.246 -2.968 396 HA ARG 52 HA ARG 52 0.686 15.877 -2.145 397 HE ARG 52 HE ARG 52 -5.015 15.604 -3.873 398 HB2 ARG 52 1HB ARG 52 -1.340 15.154 -1.294 399 HB3 ARG 52 2HB ARG 52 -1.407 16.883 -1.211 400 HG2 ARG 52 1HG ARG 52 -2.855 14.922 -3.076 401 HG3 ARG 52 2HG ARG 52 -3.535 15.761 -1.708 402 HD2 ARG 52 1HD ARG 52 -3.433 17.964 -2.922 403 HD3 ARG 52 2HD ARG 52 -2.617 17.174 -4.305 404 HH11 ARG 52 2HH2 ARG 52 -4.336 18.920 -4.898 405 HH12 ARG 52 1HH2 ARG 52 -5.808 18.852 -5.967 406 HH21 ARG 52 2HH1 ARG 52 -6.497 15.608 -5.002 407 HH22 ARG 52 1HH1 ARG 52 -7.027 17.053 -6.037 408 H TRP 53 H TRP 53 0.530 13.705 -2.739 409 HA TRP 53 HA TRP 53 0.283 13.094 -5.745 410 HD1 TRP 53 HD1 TRP 53 -0.297 9.997 -6.136 411 HE1 TRP 53 HE1 TRP 53 0.198 7.436 -5.964 412 HE3 TRP 53 HE3 TRP 53 3.921 10.357 -3.226 413 HZ2 TRP 53 HZ2 TRP 53 2.270 5.904 -4.819 414 HZ3 TRP 53 HZ3 TRP 53 5.038 8.263 -2.536 415 HH2 TRP 53 HH2 TRP 53 4.223 6.074 -3.322 416 HB2 TRP 53 1HB TRP 53 2.348 12.319 -5.132 417 HB3 TRP 53 2HB TRP 53 1.886 11.877 -3.507 418 H ASP 54 H ASP 54 -1.792 12.807 -6.103 419 HA ASP 54 HA ASP 54 -3.562 11.299 -4.116 420 HB2 ASP 54 1HB ASP 54 -3.667 13.901 -4.819 421 HB3 ASP 54 2HB ASP 54 -4.502 13.324 -6.233 422 H TYR 55 H TYR 55 -2.293 9.555 -5.864 423 HA TYR 55 HA TYR 55 -4.168 9.040 -8.163 424 HD1 TYR 55 HD2 TYR 55 -3.164 10.344 -9.688 425 HD2 TYR 55 HD1 TYR 55 0.448 8.388 -8.359 426 HE1 TYR 55 HE2 TYR 55 -1.815 12.173 -10.603 427 HE2 TYR 55 HE1 TYR 55 1.748 10.256 -9.157 428 HH TYR 55 HH TYR 55 1.638 12.436 -9.934 429 HB2 TYR 55 1HB TYR 55 -1.591 7.548 -7.493 430 HB3 TYR 55 2HB TYR 55 -2.555 7.358 -8.944 431 H THR 56 H THR 56 -5.814 7.893 -8.014 432 HA THR 56 HA THR 56 -6.035 5.380 -6.251 433 HB THR 56 HB THR 56 -8.151 7.263 -7.424 434 HG1 THR 56 HG1 THR 56 -7.045 7.726 -5.443 435 HG21 THR 56 3HG2 THR 56 -9.830 5.787 -6.245 436 HG22 THR 56 1HG2 THR 56 -9.086 5.034 -7.678 437 HG23 THR 56 2HG2 THR 56 -8.581 4.513 -6.087 438 H SER 57 H SER 57 -5.381 3.634 -7.378 439 HA SER 57 HA SER 57 -6.689 3.154 -10.121 440 HG SER 57 HG SER 57 -4.396 1.182 -8.484 441 HB2 SER 57 1HB SER 57 -4.849 1.852 -10.742 442 HB3 SER 57 2HB SER 57 -4.277 3.448 -10.192 443 H THR 58 H THR 58 -8.371 2.236 -9.448 444 HA THR 58 HA THR 58 -8.337 -0.327 -7.744 445 HB THR 58 HB THR 58 -8.788 1.514 -6.281 446 HG1 THR 58 HG1 THR 58 -10.741 0.591 -5.446 447 HG21 THR 58 3HG2 THR 58 -10.238 3.045 -7.823 448 HG22 THR 58 1HG2 THR 58 -11.551 1.866 -7.650 449 HG23 THR 58 2HG2 THR 58 -10.919 2.719 -6.222 450 H GLN 59 H GLN 59 -10.763 -0.953 -7.530 451 HA GLN 59 HA GLN 59 -11.198 -2.285 -10.281 452 HB2 GLN 59 1HB GLN 59 -10.764 -3.713 -8.252 453 HB3 GLN 59 2HB GLN 59 -12.271 -3.145 -7.529 454 HG2 GLN 59 1HG GLN 59 -13.506 -4.094 -9.626 455 HG3 GLN 59 2HG GLN 59 -11.981 -4.768 -10.162 456 HE21 GLN 59 1HE2 GLN 59 -11.138 -6.576 -8.932 457 HE22 GLN 59 2HE2 GLN 59 -12.262 -7.452 -7.763 458 H ARG 60 H ARG 60 -12.524 -0.929 -11.441 459 HA ARG 60 HA ARG 60 -15.145 0.073 -10.324 460 HE ARG 60 HE ARG 60 -17.270 2.046 -10.671 461 HB2 ARG 60 1HB ARG 60 -13.804 0.259 -13.064 462 HB3 ARG 60 2HB ARG 60 -15.502 0.607 -12.925 463 HG2 ARG 60 1HG ARG 60 -13.547 2.021 -11.015 464 HG3 ARG 60 2HG ARG 60 -13.667 2.515 -12.685 465 HD2 ARG 60 1HD ARG 60 -15.135 3.973 -11.448 466 HD3 ARG 60 2HD ARG 60 -16.074 2.990 -12.532 467 HH11 ARG 60 2HH2 ARG 60 -14.344 3.459 -9.426 468 HH12 ARG 60 1HH2 ARG 60 -14.908 3.167 -7.700 469 HH21 ARG 60 2HH1 ARG 60 -17.847 1.743 -8.712 470 HH22 ARG 60 1HH1 ARG 60 -16.716 2.247 -7.359 471 H VAL 61 H VAL 61 -15.619 -2.173 -9.617 472 HA VAL 61 HA VAL 61 -17.032 -3.844 -11.580 473 HB VAL 61 HB VAL 61 -15.884 -4.746 -9.645 474 HG11 VAL 61 1HG1 VAL 61 -18.221 -3.886 -7.815 475 HG12 VAL 61 2HG1 VAL 61 -16.813 -4.887 -7.406 476 HG13 VAL 61 3HG1 VAL 61 -16.589 -3.174 -7.777 477 HG21 VAL 61 3HG2 VAL 61 -17.496 -6.551 -9.170 478 HG22 VAL 61 1HG2 VAL 61 -18.855 -5.563 -9.766 479 HG23 VAL 61 2HG2 VAL 61 -17.562 -6.074 -10.878 480 H ASP 62 H ASP 62 -18.427 -1.945 -8.901 481 HA ASP 62 HA ASP 62 -20.875 -1.376 -10.671 482 HB2 ASP 62 1HB ASP 62 -21.039 -3.211 -8.756 483 HB3 ASP 62 2HB ASP 62 -20.956 -1.880 -7.611 484 H ARG 63 H ARG 63 -22.196 0.214 -9.156 485 HA ARG 63 HA ARG 63 -20.596 2.734 -8.522 486 HE ARG 63 HE ARG 63 -22.097 6.835 -6.865 487 HB2 ARG 63 1HB ARG 63 -22.515 3.094 -10.056 488 HB3 ARG 63 2HB ARG 63 -23.615 2.327 -8.926 489 HG2 ARG 63 1HG ARG 63 -23.956 4.675 -8.775 490 HG3 ARG 63 2HG ARG 63 -23.254 4.167 -7.252 491 HD2 ARG 63 1HD ARG 63 -20.988 5.007 -7.972 492 HD3 ARG 63 2HD ARG 63 -21.603 5.492 -9.536 493 HH11 ARG 63 2HH2 ARG 63 -23.155 6.714 -10.171 494 HH12 ARG 63 1HH2 ARG 63 -23.865 8.398 -10.083 495 HH21 ARG 63 2HH1 ARG 63 -22.905 8.733 -6.793 496 HH22 ARG 63 1HH1 ARG 63 -23.723 9.464 -8.242 497 H LEU 64 H LEU 64 -22.948 0.347 -7.136 498 HA LEU 64 HA LEU 64 -22.503 1.548 -4.359 499 HG LEU 64 HG LEU 64 -26.243 0.949 -4.425 500 HB2 LEU 64 1HB LEU 64 -24.529 -0.558 -5.339 501 HB3 LEU 64 2HB LEU 64 -24.332 -0.065 -3.680 502 HD11 LEU 64 1HD1 LEU 64 -24.172 3.241 -4.473 503 HD12 LEU 64 2HD1 LEU 64 -25.898 3.363 -4.074 504 HD13 LEU 64 3HD1 LEU 64 -24.805 2.459 -3.007 505 HD21 LEU 64 3HD2 LEU 64 -26.588 2.373 -6.365 506 HD22 LEU 64 1HD2 LEU 64 -24.878 2.298 -6.828 507 HD23 LEU 64 2HD2 LEU 64 -25.882 0.839 -6.911 508 H ALA 65 H ALA 65 -20.294 0.773 -4.565 509 HA ALA 65 HA ALA 65 -19.943 -1.842 -3.087 510 HB1 ALA 65 3HB ALA 65 -18.752 -1.380 -5.918 511 HB2 ALA 65 1HB ALA 65 -18.249 -2.702 -4.833 512 HB3 ALA 65 2HB ALA 65 -19.915 -2.621 -5.425 513 H ARG 66 H ARG 66 -17.656 -2.189 -2.452 514 HA ARG 66 HA ARG 66 -16.503 0.432 -1.396 515 HE ARG 66 HE ARG 66 -13.273 -1.968 0.122 516 HB2 ARG 66 1HB ARG 66 -17.139 -1.728 0.063 517 HB3 ARG 66 2HB ARG 66 -15.602 -2.355 -0.469 518 HG2 ARG 66 1HG ARG 66 -16.214 0.214 1.123 519 HG3 ARG 66 2HG ARG 66 -15.578 -1.277 1.767 520 HD2 ARG 66 1HD ARG 66 -14.051 0.671 -0.078 521 HD3 ARG 66 2HD ARG 66 -13.946 0.565 1.670 522 HH11 ARG 66 2HH2 ARG 66 -11.820 0.975 1.525 523 HH12 ARG 66 1HH2 ARG 66 -10.264 -0.028 1.767 524 HH21 ARG 66 2HH1 ARG 66 -11.331 -2.795 0.328 525 HH22 ARG 66 1HH1 ARG 66 -10.016 -1.756 1.102 526 H THR 67 H THR 67 -16.083 0.452 -3.755 527 HA THR 67 HA THR 67 -13.733 -0.896 -4.885 528 HB THR 67 HB THR 67 -13.998 0.519 -6.854 529 HG1 THR 67 HG1 THR 67 -14.686 2.331 -5.357 530 HG21 THR 67 3HG2 THR 67 -15.650 -1.430 -6.421 531 HG22 THR 67 1HG2 THR 67 -16.837 -0.202 -5.922 532 HG23 THR 67 2HG2 THR 67 -16.185 -0.211 -7.578 533 H GLU 68 H GLU 68 -11.979 -0.505 -3.698 534 HA GLU 68 HA GLU 68 -10.544 2.138 -3.484 535 HB2 GLU 68 1HB GLU 68 -12.593 2.376 -2.016 536 HB3 GLU 68 2HB GLU 68 -12.122 0.946 -1.120 537 HG2 GLU 68 1HG GLU 68 -10.107 2.151 -0.215 538 HG3 GLU 68 2HG GLU 68 -10.455 3.552 -1.223 539 H ILE 69 H ILE 69 -8.574 1.263 -3.804 540 HA ILE 69 HA ILE 69 -7.166 -0.556 -2.296 541 HB ILE 69 HB ILE 69 -8.648 -2.423 -2.740 542 HG12 ILE 69 1HG1 ILE 69 -7.104 -4.110 -3.727 543 HG13 ILE 69 2HG1 ILE 69 -6.033 -2.839 -4.304 544 HG21 ILE 69 1HG2 ILE 69 -8.994 -3.420 -5.024 545 HG22 ILE 69 2HG2 ILE 69 -9.646 -1.779 -4.849 546 HG23 ILE 69 3HG2 ILE 69 -8.158 -2.012 -5.766 547 HD11 ILE 69 3HD1 ILE 69 -6.728 -3.392 -1.322 548 HD12 ILE 69 1HD1 ILE 69 -5.195 -3.810 -2.122 549 HD13 ILE 69 2HD1 ILE 69 -5.649 -2.103 -1.870 550 H LYS 70 H LYS 70 -5.296 -0.138 -2.864 551 HA LYS 70 HA LYS 70 -3.407 0.929 -3.798 552 HB2 LYS 70 1HB LYS 70 -4.453 -0.092 -6.461 553 HB3 LYS 70 2HB LYS 70 -3.207 1.136 -6.407 554 HG2 LYS 70 1HG LYS 70 -2.006 -0.840 -6.587 555 HG3 LYS 70 2HG LYS 70 -1.772 -0.311 -4.925 556 HD2 LYS 70 1HD LYS 70 -3.640 -1.986 -4.235 557 HD3 LYS 70 2HD LYS 70 -3.671 -2.558 -5.902 558 HE2 LYS 70 1HE LYS 70 -1.217 -3.223 -5.721 559 HE3 LYS 70 2HE LYS 70 -1.139 -2.521 -4.095 560 HZ1 LYS 70 3HZ LYS 70 -2.961 -4.810 -4.856 561 HZ2 LYS 70 1HZ LYS 70 -1.603 -4.962 -3.933 562 HZ3 LYS 70 2HZ LYS 70 -2.898 -4.118 -3.372 563 H ASN 71 H ASN 71 -5.102 2.275 -2.671 564 HA ASN 71 HA ASN 71 -5.406 4.950 -4.163 565 HB2 ASN 71 1HB ASN 71 -6.878 3.775 -1.680 566 HB3 ASN 71 2HB ASN 71 -7.002 5.444 -2.187 567 HD21 ASN 71 1HD2 ASN 71 -9.081 5.581 -2.751 568 HD22 ASN 71 2HD2 ASN 71 -9.889 4.450 -3.950 569 H PHE 72 H PHE 72 -3.422 5.858 -3.636 570 HA PHE 72 HA PHE 72 -2.761 6.200 -0.638 571 HD1 PHE 72 HD2 PHE 72 -0.845 4.902 0.655 572 HD2 PHE 72 HD1 PHE 72 1.127 7.468 -2.162 573 HE1 PHE 72 HE2 PHE 72 0.988 5.243 2.254 574 HE2 PHE 72 HE1 PHE 72 2.990 7.771 -0.542 575 HZ PHE 72 HZ PHE 72 2.908 6.677 1.654 576 HB2 PHE 72 1HB PHE 72 -1.165 4.681 -1.959 577 HB3 PHE 72 2HB PHE 72 -0.712 6.044 -2.952 578 H THR 73 H THR 73 -3.780 8.130 -0.381 579 HA THR 73 HA THR 73 -2.988 10.500 -2.152 580 HB THR 73 HB THR 73 -5.251 10.335 -0.129 581 HG1 THR 73 HG1 THR 73 -5.596 11.073 -2.799 582 HG21 THR 73 3HG2 THR 73 -5.836 12.620 -1.068 583 HG22 THR 73 1HG2 THR 73 -4.292 12.684 -0.188 584 HG23 THR 73 2HG2 THR 73 -4.290 12.647 -1.955 585 H VAL 74 H VAL 74 -1.075 11.167 -1.526 586 HA VAL 74 HA VAL 74 -0.429 11.440 1.459 587 HB VAL 74 HB VAL 74 0.788 9.615 0.539 588 HG11 VAL 74 1HG1 VAL 74 2.688 9.942 -1.087 589 HG12 VAL 74 2HG1 VAL 74 1.106 10.193 -1.852 590 HG13 VAL 74 3HG1 VAL 74 2.118 11.589 -1.410 591 HG21 VAL 74 3HG2 VAL 74 1.891 11.142 2.329 592 HG22 VAL 74 1HG2 VAL 74 3.029 10.177 1.356 593 HG23 VAL 74 2HG2 VAL 74 2.793 11.910 1.008 594 H PHE 75 H PHE 75 0.123 13.250 2.234 595 HA PHE 75 HA PHE 75 -0.196 15.657 0.454 596 HD1 PHE 75 HD2 PHE 75 -2.499 17.275 1.103 597 HD2 PHE 75 HD1 PHE 75 -2.248 13.554 3.243 598 HE1 PHE 75 HE2 PHE 75 -4.848 16.790 0.548 599 HE2 PHE 75 HE1 PHE 75 -4.603 13.080 2.696 600 HZ PHE 75 HZ PHE 75 -5.912 14.698 1.353 601 HB2 PHE 75 1HB PHE 75 -0.429 15.262 3.509 602 HB3 PHE 75 2HB PHE 75 -0.589 16.821 2.741 603 H PHE 76 H PHE 76 1.216 17.152 0.089 604 HA PHE 76 HA PHE 76 3.910 17.154 1.537 605 HD1 PHE 76 HD1 PHE 76 5.474 15.389 0.640 606 HD2 PHE 76 HD2 PHE 76 3.030 16.124 -2.805 607 HE1 PHE 76 HE1 PHE 76 5.576 12.985 0.043 608 HE2 PHE 76 HE2 PHE 76 3.238 13.775 -3.460 609 HZ PHE 76 HZ PHE 76 4.487 12.179 -2.006 610 HB2 PHE 76 1HB PHE 76 3.469 17.953 -1.396 611 HB3 PHE 76 2HB PHE 76 4.993 17.884 -0.534 612 H GLU 77 H GLU 77 4.741 19.129 2.154 613 HA GLU 77 HA GLU 77 2.851 21.490 2.240 614 HB2 GLU 77 1HB GLU 77 4.074 20.883 4.235 615 HB3 GLU 77 2HB GLU 77 5.628 21.016 3.455 616 HG2 GLU 77 1HG GLU 77 4.037 23.590 3.267 617 HG3 GLU 77 2HG GLU 77 4.228 23.028 4.913 618 H ASN 78 H ASN 78 6.267 21.355 1.291 619 HA ASN 78 HA ASN 78 5.456 22.468 -1.470 620 HB2 ASN 78 1HB ASN 78 7.973 23.172 0.180 621 HB3 ASN 78 2HB ASN 78 7.942 23.326 -1.567 622 HD21 ASN 78 1HD2 ASN 78 6.575 24.655 1.397 623 HD22 ASN 78 2HD2 ASN 78 5.902 26.122 0.504 624 H GLU 79 H GLU 79 8.458 20.909 -0.318 625 HA GLU 79 HA GLU 79 7.753 18.506 -2.078 626 HB2 GLU 79 1HB GLU 79 9.958 17.794 -2.207 627 HB3 GLU 79 2HB GLU 79 9.911 19.473 -2.699 628 HG2 GLU 79 1HG GLU 79 10.927 20.190 -0.516 629 HG3 GLU 79 2HG GLU 79 10.855 18.546 0.108 630 H GLN 80 H GLN 80 8.066 19.415 1.274 631 HA GLN 80 HA GLN 80 8.987 16.719 2.101 632 HB2 GLN 80 1HB GLN 80 9.326 17.619 4.279 633 HB3 GLN 80 2HB GLN 80 10.096 18.586 3.055 634 HG2 GLN 80 1HG GLN 80 7.411 19.384 4.381 635 HG3 GLN 80 2HG GLN 80 8.969 19.713 5.093 636 HE21 GLN 80 1HE2 GLN 80 9.029 21.872 4.944 637 HE22 GLN 80 2HE2 GLN 80 8.480 22.793 3.491 638 H VAL 81 H VAL 81 8.033 15.300 3.335 639 HA VAL 81 HA VAL 81 5.179 15.024 2.725 640 HB VAL 81 HB VAL 81 6.651 12.912 4.386 641 HG11 VAL 81 1HG1 VAL 81 4.228 12.552 3.913 642 HG12 VAL 81 2HG1 VAL 81 4.507 12.765 2.172 643 HG13 VAL 81 3HG1 VAL 81 5.200 11.364 3.029 644 HG21 VAL 81 3HG2 VAL 81 7.424 11.798 2.258 645 HG22 VAL 81 1HG2 VAL 81 7.155 13.331 1.380 646 HG23 VAL 81 2HG2 VAL 81 8.323 13.250 2.678 647 H VAL 82 H VAL 82 3.481 15.406 3.895 648 HA VAL 82 HA VAL 82 3.712 15.968 6.879 649 HB VAL 82 HB VAL 82 1.373 16.517 4.941 650 HG11 VAL 82 1HG1 VAL 82 1.763 17.443 7.878 651 HG12 VAL 82 2HG1 VAL 82 0.454 17.948 6.781 652 HG13 VAL 82 3HG1 VAL 82 0.552 16.269 7.322 653 HG21 VAL 82 3HG2 VAL 82 3.346 18.017 4.452 654 HG22 VAL 82 1HG2 VAL 82 2.017 18.928 5.176 655 HG23 VAL 82 2HG2 VAL 82 3.436 18.489 6.161 656 H ARG 83 H ARG 83 1.260 14.196 4.900 657 HA ARG 83 HA ARG 83 1.656 11.744 6.426 658 HE ARG 83 HE ARG 83 -2.404 10.867 7.187 659 HB2 ARG 83 1HB ARG 83 -0.349 11.454 7.711 660 HB3 ARG 83 2HB ARG 83 0.552 12.829 8.241 661 HG2 ARG 83 1HG ARG 83 -1.670 13.461 8.463 662 HG3 ARG 83 2HG ARG 83 -1.050 14.405 7.131 663 HD2 ARG 83 1HD ARG 83 -3.326 13.739 6.721 664 HD3 ARG 83 2HD ARG 83 -2.298 13.017 5.483 665 HH11 ARG 83 2HH2 ARG 83 -5.054 12.892 6.138 666 HH12 ARG 83 1HH2 ARG 83 -6.163 11.412 6.005 667 HH21 ARG 83 2HH1 ARG 83 -3.658 9.287 6.924 668 HH22 ARG 83 1HH1 ARG 83 -5.416 9.520 6.497 669 H TRP 84 H TRP 84 0.276 9.986 5.900 670 HA TRP 84 HA TRP 84 -0.843 10.181 3.077 671 HD1 TRP 84 HD1 TRP 84 0.343 5.780 4.715 672 HE1 TRP 84 HE1 TRP 84 2.334 5.236 6.358 673 HE3 TRP 84 HE3 TRP 84 2.900 10.219 4.194 674 HZ2 TRP 84 HZ2 TRP 84 4.523 6.692 7.356 675 HZ3 TRP 84 HZ3 TRP 84 4.974 10.552 5.518 676 HH2 TRP 84 HH2 TRP 84 5.753 8.843 7.069 677 HB2 TRP 84 1HB TRP 84 -0.112 7.767 2.810 678 HB3 TRP 84 2HB TRP 84 1.079 9.030 2.758 679 H GLU 85 H GLU 85 -2.592 9.274 2.446 680 HA GLU 85 HA GLU 85 -4.485 8.028 4.488 681 HB2 GLU 85 1HB GLU 85 -4.767 10.497 3.675 682 HB3 GLU 85 2HB GLU 85 -5.059 9.873 2.071 683 HG2 GLU 85 1HG GLU 85 -7.218 10.299 2.958 684 HG3 GLU 85 2HG GLU 85 -7.110 8.555 3.062 685 H GLY 86 H GLY 86 -5.606 6.409 3.921 686 HA2 GLY 86 1HA GLY 86 -7.294 5.628 2.313 687 HA3 GLY 86 2HA GLY 86 -6.148 5.678 1.005 688 H ASP 87 H ASP 87 -5.652 3.740 0.337 689 HA ASP 87 HA ASP 87 -5.750 1.255 2.006 690 HB2 ASP 87 1HB ASP 87 -8.232 1.736 1.597 691 HB3 ASP 87 2HB ASP 87 -7.957 1.553 -0.133 692 H TYR 88 H TYR 88 -3.786 0.886 1.230 693 HA TYR 88 HA TYR 88 -3.296 1.030 -1.771 694 HD1 TYR 88 HD2 TYR 88 -2.807 2.982 1.711 695 HD2 TYR 88 HD1 TYR 88 0.802 1.359 -0.002 696 HE1 TYR 88 HE2 TYR 88 -1.586 3.469 3.782 697 HE2 TYR 88 HE1 TYR 88 1.998 1.879 1.996 698 HH TYR 88 HH TYR 88 1.880 3.018 4.038 699 HB2 TYR 88 1HB TYR 88 -1.082 1.806 -1.455 700 HB3 TYR 88 2HB TYR 88 -2.336 2.847 -0.870 701 H PHE 89 H PHE 89 -1.961 -0.732 0.894 702 HA PHE 89 HA PHE 89 -2.736 -3.204 -0.446 703 HD1 PHE 89 HD2 PHE 89 -2.113 -5.665 0.108 704 HD2 PHE 89 HD1 PHE 89 1.447 -4.364 -1.976 705 HE1 PHE 89 HE2 PHE 89 -1.597 -7.981 -0.512 706 HE2 PHE 89 HE1 PHE 89 1.944 -6.688 -2.548 707 HZ PHE 89 HZ PHE 89 0.424 -8.509 -1.820 708 HB2 PHE 89 1HB PHE 89 -0.510 -2.794 -1.547 709 HB3 PHE 89 2HB PHE 89 0.306 -2.942 -0.011 710 HA PRO 90 HA PRO 90 -2.710 -3.637 4.207 711 HB2 PRO 90 1HB PRO 90 -5.371 -3.464 4.776 712 HB3 PRO 90 2HB PRO 90 -4.441 -2.036 4.271 713 HG2 PRO 90 1HG PRO 90 -6.203 -3.824 2.473 714 HG3 PRO 90 2HG PRO 90 -6.295 -2.053 2.649 715 HD2 PRO 90 1HD PRO 90 -4.810 -3.274 0.605 716 HD3 PRO 90 2HD PRO 90 -4.341 -1.713 1.324 717 H SER 91 H SER 91 -1.868 -5.631 3.246 718 HA SER 91 HA SER 91 -3.358 -7.942 4.392 719 HG SER 91 HG SER 91 -3.917 -10.127 1.744 720 HB2 SER 91 1HB SER 91 -4.370 -7.951 2.121 721 HB3 SER 91 2HB SER 91 -2.775 -8.116 1.372 722 H GLN 92 H GLN 92 -1.681 -7.970 5.730 723 HA GLN 92 HA GLN 92 0.937 -9.144 4.795 724 HB2 GLN 92 1HB GLN 92 2.314 -7.457 5.816 725 HB3 GLN 92 2HB GLN 92 1.362 -6.842 4.507 726 HG2 GLN 92 1HG GLN 92 0.744 -6.309 7.487 727 HG3 GLN 92 2HG GLN 92 1.754 -5.326 6.458 728 HE21 GLN 92 1HE2 GLN 92 -1.213 -5.331 7.678 729 HE22 GLN 92 2HE2 GLN 92 -1.907 -4.189 6.427 730 H ASP 93 H ASP 93 1.111 -10.896 5.953 731 HA ASP 93 HA ASP 93 1.073 -10.681 8.998 732 HB2 ASP 93 1HB ASP 93 -0.965 -11.838 7.477 733 HB3 ASP 93 2HB ASP 93 0.052 -13.242 7.695 734 H GLU 94 H GLU 94 3.418 -10.650 7.425 735 HA GLU 94 HA GLU 94 4.888 -13.086 8.295 736 HB2 GLU 94 1HB GLU 94 6.930 -12.299 7.646 737 HB3 GLU 94 2HB GLU 94 5.826 -11.803 6.399 738 HG2 GLU 94 1HG GLU 94 5.980 -9.403 7.131 739 HG3 GLU 94 2HG GLU 94 6.756 -9.842 8.618 740 H GLN 95 H GLN 95 4.337 -10.277 9.681 741 HA GLN 95 HA GLN 95 5.585 -10.902 12.399 742 HB2 GLN 95 1HB GLN 95 6.300 -8.641 11.598 743 HB3 GLN 95 2HB GLN 95 4.627 -8.128 11.435 744 HG2 GLN 95 1HG GLN 95 5.816 -9.132 14.088 745 HG3 GLN 95 2HG GLN 95 6.008 -7.470 13.579 746 HE21 GLN 95 1HE2 GLN 95 3.854 -6.301 13.115 747 HE22 GLN 95 2HE2 GLN 95 2.527 -6.716 14.314 748 H LEU 96 H LEU 96 4.067 -12.322 12.648 749 HA LEU 96 HA LEU 96 1.613 -12.834 12.078 750 HG LEU 96 HG LEU 96 0.103 -13.973 14.448 751 HB2 LEU 96 1HB LEU 96 3.091 -14.088 13.729 752 HB3 LEU 96 2HB LEU 96 2.480 -13.066 15.017 753 HD11 LEU 96 1HD1 LEU 96 1.759 -16.073 12.866 754 HD12 LEU 96 2HD1 LEU 96 0.024 -16.165 13.223 755 HD13 LEU 96 3HD1 LEU 96 0.638 -14.918 12.125 756 HD21 LEU 96 3HD2 LEU 96 2.231 -15.991 15.408 757 HD22 LEU 96 1HD2 LEU 96 1.467 -14.728 16.406 758 HD23 LEU 96 2HD2 LEU 96 0.484 -16.041 15.737 759 H ALA 97 H ALA 97 -0.098 -11.601 11.734 760 HA ALA 97 HA ALA 97 -0.270 -9.006 13.059 761 HB1 ALA 97 3HB ALA 97 -0.594 -9.336 10.638 762 HB2 ALA 97 1HB ALA 97 -2.150 -10.145 10.909 763 HB3 ALA 97 2HB ALA 97 -1.945 -8.444 11.357 764 H LYS 98 H LYS 98 -0.875 -9.141 15.067 765 HA LYS 98 HA LYS 98 -3.387 -10.552 15.947 766 HB2 LYS 98 1HB LYS 98 -2.350 -10.679 18.123 767 HB3 LYS 98 2HB LYS 98 -1.331 -11.278 16.841 768 HG2 LYS 98 1HG LYS 98 -0.069 -8.929 16.974 769 HG3 LYS 98 2HG LYS 98 -1.038 -8.630 18.398 770 HD2 LYS 98 1HD LYS 98 1.043 -9.434 19.196 771 HD3 LYS 98 2HD LYS 98 -0.124 -10.699 19.496 772 HE2 LYS 98 1HE LYS 98 1.940 -11.724 18.783 773 HE3 LYS 98 2HE LYS 98 0.752 -12.029 17.519 774 HZ1 LYS 98 3HZ LYS 98 1.794 -10.438 16.070 775 HZ2 LYS 98 1HZ LYS 98 2.597 -9.642 17.281 776 HZ3 LYS 98 2HZ LYS 98 3.118 -11.114 16.752 777 H ALA 99 H ALA 99 -4.323 -8.624 14.804 778 HA ALA 99 HA ALA 99 -5.378 -6.595 16.824 779 HB1 ALA 99 3HB ALA 99 -6.112 -6.945 13.840 780 HB2 ALA 99 1HB ALA 99 -6.726 -5.681 14.927 781 HB3 ALA 99 2HB ALA 99 -5.000 -5.742 14.532 782 H ALA 100 H ALA 100 -6.892 -9.061 14.653 783 HA ALA 100 HA ALA 100 -8.696 -10.130 16.799 784 HB1 ALA 100 3HB ALA 100 -7.626 -11.428 14.202 785 HB2 ALA 100 1HB ALA 100 -8.942 -12.042 15.226 786 HB3 ALA 100 2HB ALA 100 -9.138 -10.506 14.354 787 HA PRO 101 HA PRO 101 -4.708 -10.810 18.607 788 HB2 PRO 101 1HB PRO 101 -5.273 -11.506 21.213 789 HB3 PRO 101 2HB PRO 101 -5.717 -9.968 20.454 790 HG2 PRO 101 1HG PRO 101 -7.511 -12.476 20.692 791 HG3 PRO 101 2HG PRO 101 -7.883 -10.831 21.286 792 HD2 PRO 101 1HD PRO 101 -8.786 -11.605 18.813 793 HD3 PRO 101 2HD PRO 101 -8.104 -9.958 19.025 794 H LYS 102 H LYS 102 -4.350 -12.566 17.053 795 HA LYS 102 HA LYS 102 -3.856 -15.274 18.151 796 HB2 LYS 102 1HB LYS 102 -2.982 -15.889 16.030 797 HB3 LYS 102 2HB LYS 102 -4.566 -15.150 15.956 798 HG2 LYS 102 1HG LYS 102 -3.626 -13.061 14.947 799 HG3 LYS 102 2HG LYS 102 -1.982 -13.648 15.166 800 HD2 LYS 102 1HD LYS 102 -2.592 -15.714 13.736 801 HD3 LYS 102 2HD LYS 102 -4.154 -14.988 13.397 802 HE2 LYS 102 1HE LYS 102 -1.412 -13.692 12.693 803 HE3 LYS 102 2HE LYS 102 -2.270 -14.772 11.628 804 HZ1 LYS 102 3HZ LYS 102 -2.757 -12.572 10.955 805 HZ2 LYS 102 1HZ LYS 102 -4.183 -13.094 11.645 806 HZ3 LYS 102 2HZ LYS 102 -3.210 -12.037 12.482 807 H GLN 103 H GLN 103 -2.461 -15.299 19.790 808 HA GLN 103 HA GLN 103 0.376 -14.205 19.469 809 HB2 GLN 103 1HB GLN 103 -1.132 -15.188 21.973 810 HB3 GLN 103 2HB GLN 103 0.566 -14.785 21.943 811 HG2 GLN 103 1HG GLN 103 -0.438 -12.878 22.827 812 HG3 GLN 103 2HG GLN 103 0.070 -12.427 21.222 813 HE21 GLN 103 1HE2 GLN 103 -2.806 -13.648 22.927 814 HE22 GLN 103 2HE2 GLN 103 -3.963 -12.756 21.822 815 H PHE 104 H PHE 104 1.088 -15.806 18.055 816 HA PHE 104 HA PHE 104 2.366 -18.080 19.582 817 HD1 PHE 104 HD1 PHE 104 2.007 -19.413 15.422 818 HD2 PHE 104 HD2 PHE 104 -1.419 -18.281 17.779 819 HE1 PHE 104 HE1 PHE 104 0.645 -19.271 13.384 820 HE2 PHE 104 HE2 PHE 104 -2.783 -18.193 15.728 821 HZ PHE 104 HZ PHE 104 -1.754 -18.664 13.525 822 HB2 PHE 104 1HB PHE 104 1.925 -19.825 17.944 823 HB3 PHE 104 2HB PHE 104 0.554 -19.300 18.864 824 H GLY 105 H GLY 105 3.833 -16.187 19.298 825 HA2 GLY 105 1HA GLY 105 6.265 -16.885 18.741 826 HA3 GLY 105 2HA GLY 105 5.826 -16.966 17.057 827 H ARG 106 H ARG 106 5.509 -14.982 15.936 828 HA ARG 106 HA ARG 106 7.628 -13.108 16.847 829 HE ARG 106 HE ARG 106 8.835 -10.028 12.778 830 HB2 ARG 106 1HB ARG 106 7.636 -14.133 14.623 831 HB3 ARG 106 2HB ARG 106 6.132 -13.325 14.171 832 HG2 ARG 106 1HG ARG 106 7.224 -11.088 14.346 833 HG3 ARG 106 2HG ARG 106 8.732 -11.802 14.923 834 HD2 ARG 106 1HD ARG 106 9.169 -12.906 12.784 835 HD3 ARG 106 2HD ARG 106 7.511 -12.647 12.228 836 HH11 ARG 106 2HH2 ARG 106 8.530 -12.510 10.305 837 HH12 ARG 106 1HH2 ARG 106 8.944 -11.222 9.022 838 HH21 ARG 106 2HH1 ARG 106 9.271 -8.712 11.231 839 HH22 ARG 106 1HH1 ARG 106 9.330 -9.363 9.511 840 H ASN 107 H ASN 107 7.272 -11.353 17.891 841 HA ASN 107 HA ASN 107 5.617 -9.319 16.379 842 HB2 ASN 107 1HB ASN 107 5.066 -9.711 19.110 843 HB3 ASN 107 2HB ASN 107 6.289 -8.476 19.226 844 HD21 ASN 107 1HD2 ASN 107 5.801 -6.382 18.202 845 HD22 ASN 107 2HD2 ASN 107 4.031 -6.032 17.770 846 H LEU 108 H LEU 108 7.127 -8.517 15.116 847 HA LEU 108 HA LEU 108 9.552 -7.233 16.099 848 HG LEU 108 HG LEU 108 11.767 -7.949 13.940 849 HB2 LEU 108 1HB LEU 108 10.388 -9.589 16.170 850 HB3 LEU 108 2HB LEU 108 10.061 -9.785 14.460 851 HD11 LEU 108 1HD1 LEU 108 12.392 -8.161 16.974 852 HD12 LEU 108 2HD1 LEU 108 13.410 -7.349 15.762 853 HD13 LEU 108 3HD1 LEU 108 11.804 -6.712 16.128 854 HD21 LEU 108 3HD2 LEU 108 12.346 -10.386 13.838 855 HD22 LEU 108 1HD2 LEU 108 13.729 -9.432 14.395 856 HD23 LEU 108 2HD2 LEU 108 12.784 -10.382 15.563 857 H ALA 109 H ALA 109 8.390 -5.614 15.058 858 HA ALA 109 HA ALA 109 9.240 -5.272 12.118 859 HB1 ALA 109 3HB ALA 109 6.727 -4.078 13.495 860 HB2 ALA 109 1HB ALA 109 7.129 -4.056 11.760 861 HB3 ALA 109 2HB ALA 109 6.752 -5.590 12.587 862 H ARG 110 H ARG 110 8.259 -3.225 14.896 863 HA ARG 110 HA ARG 110 10.987 -2.012 14.952 864 HE ARG 110 HE ARG 110 10.506 3.876 15.613 865 HB2 ARG 110 1HB ARG 110 9.716 -0.447 13.435 866 HB3 ARG 110 2HB ARG 110 8.535 -0.145 14.711 867 HG2 ARG 110 1HG ARG 110 10.377 0.857 16.164 868 HG3 ARG 110 2HG ARG 110 11.564 0.504 14.909 869 HD2 ARG 110 1HD ARG 110 10.255 2.033 13.292 870 HD3 ARG 110 2HD ARG 110 9.080 2.312 14.552 871 HH11 ARG 110 2HH2 ARG 110 12.455 2.089 13.315 872 HH12 ARG 110 1HH2 ARG 110 13.752 3.381 13.368 873 HH21 ARG 110 2HH1 ARG 110 12.011 5.268 15.641 874 HH22 ARG 110 1HH1 ARG 110 13.506 5.058 14.629 875 H ASP 111 H ASP 111 10.543 -3.667 16.544 876 HA ASP 111 HA ASP 111 8.757 -3.076 18.803 877 HB2 ASP 111 1HB ASP 111 10.341 -5.506 17.805 878 HB3 ASP 111 2HB ASP 111 9.630 -5.548 19.398 879 H LYS 112 H LYS 112 9.412 -4.020 20.955 880 HA LYS 112 HA LYS 112 12.068 -3.250 22.019 881 HB2 LYS 112 1HB LYS 112 11.434 -1.458 23.533 882 HB3 LYS 112 2HB LYS 112 11.344 -1.027 21.857 883 HG2 LYS 112 1HG LYS 112 8.631 -1.858 22.641 884 HG3 LYS 112 2HG LYS 112 9.287 -0.976 23.982 885 HD2 LYS 112 1HD LYS 112 8.207 0.668 22.782 886 HD3 LYS 112 2HD LYS 112 9.869 0.978 22.353 887 HE2 LYS 112 1HE LYS 112 7.902 -0.699 20.609 888 HE3 LYS 112 2HE LYS 112 8.002 1.052 20.501 889 HZ1 LYS 112 3HZ LYS 112 9.446 -0.219 18.818 890 HZ2 LYS 112 1HZ LYS 112 10.317 0.890 19.705 891 HZ3 LYS 112 2HZ LYS 112 10.409 -0.719 20.030 892 H LYS 113 H LYS 113 11.642 -5.516 22.311 893 HA LYS 113 HA LYS 113 9.781 -6.352 24.512 894 HB2 LYS 113 1HB LYS 113 10.192 -7.600 22.342 895 HB3 LYS 113 2HB LYS 113 11.834 -7.947 22.858 896 HG2 LYS 113 1HG LYS 113 10.570 -9.901 23.189 897 HG3 LYS 113 2HG LYS 113 10.960 -9.306 24.794 898 HD2 LYS 113 1HD LYS 113 8.604 -8.361 25.029 899 HD3 LYS 113 2HD LYS 113 8.264 -8.777 23.361 900 HE2 LYS 113 1HE LYS 113 7.191 -10.457 24.652 901 HE3 LYS 113 2HE LYS 113 8.555 -11.245 23.866 902 HZ1 LYS 113 3HZ LYS 113 8.551 -10.277 26.742 903 HZ2 LYS 113 1HZ LYS 113 8.451 -11.855 26.285 904 HZ3 LYS 113 2HZ LYS 113 9.831 -11.002 26.023 905 H LYS 114 H LYS 114 10.813 -4.940 26.060 906 HA LYS 114 HA LYS 114 12.666 -6.466 27.881 907 HB2 LYS 114 1HB LYS 114 14.140 -5.185 26.208 908 HB3 LYS 114 2HB LYS 114 13.545 -3.672 26.854 909 HG2 LYS 114 1HG LYS 114 14.964 -5.868 28.527 910 HG3 LYS 114 2HG LYS 114 15.830 -4.614 27.656 911 HD2 LYS 114 1HD LYS 114 14.794 -2.804 29.005 912 HD3 LYS 114 2HD LYS 114 13.742 -3.943 29.822 913 HE2 LYS 114 1HE LYS 114 15.865 -5.185 30.685 914 HE3 LYS 114 2HE LYS 114 16.820 -3.834 30.077 915 HZ1 LYS 114 3HZ LYS 114 16.052 -3.673 32.524 916 HZ2 LYS 114 1HZ LYS 114 15.622 -2.331 31.617 917 HZ3 LYS 114 2HZ LYS 114 14.475 -3.464 31.969 918 H GLN 115 H GLN 115 11.357 -6.370 29.595 919 HA GLN 115 HA GLN 115 10.575 -3.629 30.694 920 HB2 GLN 115 1HB GLN 115 8.721 -5.280 30.263 921 HB3 GLN 115 2HB GLN 115 9.373 -6.336 31.506 922 HG2 GLN 115 1HG GLN 115 9.128 -4.288 33.158 923 HG3 GLN 115 2HG GLN 115 8.317 -3.438 31.869 924 HE21 GLN 115 1HE2 GLN 115 6.243 -4.340 31.130 925 HE22 GLN 115 2HE2 GLN 115 5.296 -5.387 32.310 926 H ARG 116 H ARG 116 11.037 -6.449 32.655 927 HA ARG 116 HA ARG 116 13.347 -5.058 34.129 928 HE ARG 116 HE ARG 116 7.668 -5.911 35.443 929 HB2 ARG 116 1HB ARG 116 12.207 -5.318 36.266 930 HB3 ARG 116 2HB ARG 116 11.430 -4.217 35.143 931 HG2 ARG 116 1HG ARG 116 9.718 -6.020 34.578 932 HG3 ARG 116 2HG ARG 116 10.430 -7.083 35.777 933 HD2 ARG 116 1HD ARG 116 9.786 -5.713 37.634 934 HD3 ARG 116 2HD ARG 116 9.525 -4.261 36.634 935 HH11 ARG 116 2HH2 ARG 116 8.159 -5.163 38.813 936 HH12 ARG 116 1HH2 ARG 116 6.373 -5.329 39.168 937 HH21 ARG 116 2HH1 ARG 116 5.718 -6.138 35.883 938 HH22 ARG 116 1HH1 ARG 116 5.054 -5.863 37.559 939 H GLY 117 H GLY 117 14.531 -6.704 33.028 940 HA2 GLY 117 1HA GLY 117 14.917 -9.172 34.769 941 HA3 GLY 117 2HA GLY 117 15.811 -8.851 33.292 942 H ARG 118 H ARG 118 17.204 -6.988 33.302 943 HA ARG 118 HA ARG 118 18.216 -6.022 36.021 944 HE ARG 118 HE ARG 118 22.646 -2.843 35.486 945 HB2 ARG 118 1HB ARG 118 19.939 -7.120 34.546 946 HB3 ARG 118 2HB ARG 118 19.699 -5.900 33.306 947 HG2 ARG 118 1HG ARG 118 20.433 -5.155 36.213 948 HG3 ARG 118 2HG ARG 118 21.665 -5.755 35.123 949 HD2 ARG 118 1HD ARG 118 21.526 -3.907 33.617 950 HD3 ARG 118 2HD ARG 118 19.984 -3.344 34.185 951 HH11 ARG 118 2HH2 ARG 118 19.123 -2.764 36.075 952 HH12 ARG 118 1HH2 ARG 118 19.403 -1.532 37.399 953 HH21 ARG 118 2HH1 ARG 118 22.801 -1.460 36.999 954 HH22 ARG 118 1HH1 ARG 118 21.333 -0.857 37.887 Start of MODEL 13 1 HA MET 1 HA MET 1 3.970 -14.848 -11.440 2 H1 MET 1 1H MET 1 5.155 -16.131 -13.269 3 H2 MET 1 2H MET 1 4.736 -17.109 -11.997 4 H3 MET 1 3H MET 1 3.843 -17.134 -13.390 5 HB2 MET 1 1HB MET 1 2.707 -15.028 -14.278 6 HB3 MET 1 2HB MET 1 2.306 -13.787 -13.117 7 HG2 MET 1 1HG MET 1 3.892 -12.719 -14.449 8 HG3 MET 1 2HG MET 1 4.853 -13.149 -13.042 9 HE1 MET 1 3HE MET 1 7.395 -13.514 -15.989 10 HE2 MET 1 1HE MET 1 6.112 -12.291 -15.782 11 HE3 MET 1 2HE MET 1 7.085 -12.812 -14.377 12 H ALA 2 H ALA 2 1.826 -14.286 -10.606 13 HA ALA 2 HA ALA 2 0.214 -16.528 -9.680 14 HB1 ALA 2 3HB ALA 2 -0.453 -13.507 -9.749 15 HB2 ALA 2 1HB ALA 2 -1.280 -14.736 -8.785 16 HB3 ALA 2 2HB ALA 2 0.416 -14.377 -8.459 17 H GLY 3 H GLY 3 -0.957 -17.737 -10.950 18 HA2 GLY 3 1HA GLY 3 -2.936 -18.156 -12.448 19 HA3 GLY 3 2HA GLY 3 -2.706 -16.619 -13.230 20 H SER 4 H SER 4 -0.053 -16.666 -13.840 21 HA SER 4 HA SER 4 0.013 -18.799 -16.062 22 HG SER 4 HG SER 4 -0.990 -16.751 -16.528 23 HB2 SER 4 1HB SER 4 1.440 -16.075 -15.980 24 HB3 SER 4 2HB SER 4 1.614 -17.292 -17.249 25 H GLY 5 H GLY 5 0.849 -20.431 -14.959 26 HA2 GLY 5 1HA GLY 5 3.078 -21.680 -14.577 27 HA3 GLY 5 2HA GLY 5 3.660 -20.266 -13.707 28 H ILE 6 H ILE 6 2.741 -19.837 -11.628 29 HA ILE 6 HA ILE 6 1.354 -22.093 -10.244 30 HB ILE 6 HB ILE 6 1.379 -20.699 -8.220 31 HG12 ILE 6 1HG1 ILE 6 1.603 -18.392 -9.189 32 HG13 ILE 6 2HG1 ILE 6 2.556 -18.818 -7.799 33 HG21 ILE 6 1HG2 ILE 6 3.015 -22.479 -8.623 34 HG22 ILE 6 2HG2 ILE 6 4.061 -21.370 -9.551 35 HG23 ILE 6 3HG2 ILE 6 3.823 -21.131 -7.794 36 HD11 ILE 6 3HD1 ILE 6 3.707 -18.590 -10.655 37 HD12 ILE 6 1HD1 ILE 6 3.836 -17.399 -9.341 38 HD13 ILE 6 2HD1 ILE 6 4.642 -18.971 -9.192 39 H ILE 7 H ILE 7 -0.467 -22.212 -11.434 40 HA ILE 7 HA ILE 7 -2.595 -20.159 -11.308 41 HB ILE 7 HB ILE 7 -2.379 -21.605 -13.204 42 HG12 ILE 7 1HG1 ILE 7 -4.728 -22.337 -13.564 43 HG13 ILE 7 2HG1 ILE 7 -5.100 -22.162 -11.857 44 HG21 ILE 7 1HG2 ILE 7 -1.679 -23.803 -12.180 45 HG22 ILE 7 2HG2 ILE 7 -3.309 -24.032 -11.521 46 HG23 ILE 7 3HG2 ILE 7 -3.049 -23.986 -13.280 47 HD11 ILE 7 3HD1 ILE 7 -5.913 -20.233 -13.236 48 HD12 ILE 7 1HD1 ILE 7 -4.752 -19.664 -12.024 49 HD13 ILE 7 2HD1 ILE 7 -4.252 -19.841 -13.732 50 H TYR 8 H TYR 8 -2.344 -19.843 -9.026 51 HA TYR 8 HA TYR 8 -4.326 -21.423 -7.333 52 HD1 TYR 8 HD1 TYR 8 -3.699 -23.754 -5.974 53 HD2 TYR 8 HD2 TYR 8 -0.117 -22.441 -7.968 54 HE1 TYR 8 HE1 TYR 8 -3.200 -26.070 -6.613 55 HE2 TYR 8 HE2 TYR 8 0.374 -24.770 -8.605 56 HH TYR 8 HH TYR 8 -1.798 -27.426 -7.699 57 HB2 TYR 8 1HB TYR 8 -1.350 -20.840 -6.635 58 HB3 TYR 8 2HB TYR 8 -2.499 -21.441 -5.472 59 H LYS 9 H LYS 9 -4.687 -20.475 -5.288 60 HA LYS 9 HA LYS 9 -4.052 -17.487 -4.919 61 HB2 LYS 9 1HB LYS 9 -6.451 -18.212 -4.574 62 HB3 LYS 9 2HB LYS 9 -5.964 -19.256 -3.254 63 HG2 LYS 9 1HG LYS 9 -5.617 -16.170 -3.366 64 HG3 LYS 9 2HG LYS 9 -6.969 -17.023 -2.667 65 HD2 LYS 9 1HD LYS 9 -5.922 -16.915 -0.688 66 HD3 LYS 9 2HD LYS 9 -4.975 -18.282 -1.238 67 HE2 LYS 9 1HE LYS 9 -3.297 -16.417 -2.245 68 HE3 LYS 9 2HE LYS 9 -4.222 -15.269 -1.302 69 HZ1 LYS 9 3HZ LYS 9 -2.691 -17.649 -0.264 70 HZ2 LYS 9 1HZ LYS 9 -2.410 -16.072 0.133 71 HZ3 LYS 9 2HZ LYS 9 -3.754 -16.845 0.703 72 H GLN 10 H GLN 10 -1.985 -17.504 -4.289 73 HA GLN 10 HA GLN 10 -0.860 -19.977 -2.910 74 HB2 GLN 10 1HB GLN 10 1.370 -19.225 -3.776 75 HB3 GLN 10 2HB GLN 10 0.215 -19.869 -4.898 76 HG2 GLN 10 1HG GLN 10 0.551 -16.804 -4.614 77 HG3 GLN 10 2HG GLN 10 1.698 -17.774 -5.522 78 HE21 GLN 10 1HE2 GLN 10 -0.993 -15.926 -5.991 79 HE22 GLN 10 2HE2 GLN 10 -1.751 -16.946 -7.317 80 HA PRO 11 HA PRO 11 0.045 -17.178 0.660 81 HB2 PRO 11 1HB PRO 11 1.134 -18.961 2.445 82 HB3 PRO 11 2HB PRO 11 -0.571 -19.014 1.945 83 HG2 PRO 11 1HG PRO 11 1.756 -20.675 0.789 84 HG3 PRO 11 2HG PRO 11 0.209 -21.296 1.422 85 HD2 PRO 11 1HD PRO 11 0.617 -20.833 -1.291 86 HD3 PRO 11 2HD PRO 11 -0.993 -20.566 -0.549 87 H ILE 12 H ILE 12 1.469 -16.088 -0.856 88 HA ILE 12 HA ILE 12 4.316 -16.005 0.079 89 HB ILE 12 HB ILE 12 4.206 -17.740 -1.669 90 HG12 ILE 12 1HG1 ILE 12 6.306 -16.681 -1.141 91 HG13 ILE 12 2HG1 ILE 12 6.194 -17.318 -2.760 92 HG21 ILE 12 1HG2 ILE 12 3.640 -15.564 -3.777 93 HG22 ILE 12 2HG2 ILE 12 3.968 -17.293 -4.056 94 HG23 ILE 12 3HG2 ILE 12 2.491 -16.781 -3.205 95 HD11 ILE 12 3HD1 ILE 12 7.458 -15.242 -2.819 96 HD12 ILE 12 1HD1 ILE 12 5.943 -14.946 -3.687 97 HD13 ILE 12 2HD1 ILE 12 6.173 -14.311 -2.048 98 H TYR 13 H TYR 13 4.751 -14.014 0.369 99 HA TYR 13 HA TYR 13 3.123 -11.727 -0.293 100 HD1 TYR 13 HD1 TYR 13 3.112 -10.076 1.981 101 HD2 TYR 13 HD2 TYR 13 6.160 -13.063 2.521 102 HE1 TYR 13 HE1 TYR 13 2.609 -10.155 4.377 103 HE2 TYR 13 HE2 TYR 13 5.592 -13.186 4.917 104 HH TYR 13 HH TYR 13 3.449 -12.709 6.245 105 HB2 TYR 13 1HB TYR 13 6.124 -11.709 0.451 106 HB3 TYR 13 2HB TYR 13 5.104 -10.303 0.388 107 H GLN 14 H GLN 14 2.801 -11.780 -2.548 108 HA GLN 14 HA GLN 14 4.833 -11.118 -4.448 109 HB2 GLN 14 1HB GLN 14 3.190 -10.849 -6.105 110 HB3 GLN 14 2HB GLN 14 2.986 -12.295 -5.136 111 HG2 GLN 14 1HG GLN 14 0.914 -11.656 -4.225 112 HG3 GLN 14 2HG GLN 14 1.184 -9.937 -4.418 113 HE21 GLN 14 1HE2 GLN 14 -0.237 -12.705 -6.007 114 HE22 GLN 14 2HE2 GLN 14 -0.583 -11.713 -7.526 115 H GLY 15 H GLY 15 2.344 -8.724 -3.512 116 HA2 GLY 15 1HA GLY 15 4.122 -6.454 -4.528 117 HA3 GLY 15 2HA GLY 15 2.476 -6.299 -3.966 118 H ASN 16 H ASN 16 5.613 -7.137 -2.782 119 HA ASN 16 HA ASN 16 5.131 -7.234 -0.069 120 HB2 ASN 16 1HB ASN 16 7.782 -6.475 -1.483 121 HB3 ASN 16 2HB ASN 16 7.716 -6.709 0.242 122 HD21 ASN 16 1HD2 ASN 16 7.470 -8.434 -2.793 123 HD22 ASN 16 2HD2 ASN 16 7.374 -10.065 -1.974 124 H LEU 17 H LEU 17 5.995 -4.124 -1.523 125 HA LEU 17 HA LEU 17 6.398 -2.816 1.143 126 HG LEU 17 HG LEU 17 8.392 -3.005 -0.982 127 HB2 LEU 17 1HB LEU 17 6.244 -1.662 -1.707 128 HB3 LEU 17 2HB LEU 17 6.505 -0.652 -0.305 129 HD11 LEU 17 1HD1 LEU 17 9.907 -1.276 -1.964 130 HD12 LEU 17 2HD1 LEU 17 8.380 -1.343 -2.859 131 HD13 LEU 17 3HD1 LEU 17 8.677 -0.016 -1.718 132 HD21 LEU 17 3HD2 LEU 17 9.995 -1.743 0.499 133 HD22 LEU 17 1HD2 LEU 17 8.745 -0.533 0.866 134 HD23 LEU 17 2HD2 LEU 17 8.560 -2.213 1.414 135 H ILE 18 H ILE 18 3.430 -3.402 -0.523 136 HA ILE 18 HA ILE 18 2.074 -0.994 0.760 137 HB ILE 18 HB ILE 18 1.192 -3.148 -1.227 138 HG12 ILE 18 1HG1 ILE 18 2.590 -1.270 -2.102 139 HG13 ILE 18 2HG1 ILE 18 1.011 -1.376 -2.819 140 HG21 ILE 18 1HG2 ILE 18 -0.899 -2.832 -0.010 141 HG22 ILE 18 2HG2 ILE 18 -0.717 -1.072 0.029 142 HG23 ILE 18 3HG2 ILE 18 -1.006 -1.917 -1.506 143 HD11 ILE 18 3HD1 ILE 18 1.694 1.009 -2.312 144 HD12 ILE 18 1HD1 ILE 18 0.212 0.589 -1.448 145 HD13 ILE 18 2HD1 ILE 18 1.734 0.643 -0.576 146 H LYS 19 H LYS 19 2.777 -1.757 2.831 147 HA LYS 19 HA LYS 19 0.460 -3.221 4.192 148 HB2 LYS 19 1HB LYS 19 3.414 -3.906 4.760 149 HB3 LYS 19 2HB LYS 19 2.010 -4.426 5.705 150 HG2 LYS 19 1HG LYS 19 1.076 -5.428 3.468 151 HG3 LYS 19 2HG LYS 19 2.663 -5.186 2.791 152 HD2 LYS 19 1HD LYS 19 2.085 -6.802 5.384 153 HD3 LYS 19 2HD LYS 19 2.029 -7.522 3.803 154 HE2 LYS 19 1HE LYS 19 4.581 -6.225 5.015 155 HE3 LYS 19 2HE LYS 19 4.174 -7.944 5.069 156 HZ1 LYS 19 3HZ LYS 19 4.964 -6.360 2.639 157 HZ2 LYS 19 1HZ LYS 19 5.325 -7.946 3.005 158 HZ3 LYS 19 2HZ LYS 19 3.827 -7.493 2.399 159 H GLN 20 H GLN 20 -0.328 -1.647 5.435 160 HA GLN 20 HA GLN 20 1.122 0.703 6.025 161 HB2 GLN 20 1HB GLN 20 -1.369 0.469 5.775 162 HB3 GLN 20 2HB GLN 20 -1.463 -0.067 7.440 163 HG2 GLN 20 1HG GLN 20 -0.330 2.197 8.115 164 HG3 GLN 20 2HG GLN 20 -0.272 2.607 6.415 165 HE21 GLN 20 1HE2 GLN 20 -1.532 4.370 6.610 166 HE22 GLN 20 2HE2 GLN 20 -3.270 4.358 7.213 167 H ASN 21 H ASN 21 0.953 -1.968 8.342 168 HA ASN 21 HA ASN 21 2.319 -0.331 10.426 169 HB2 ASN 21 1HB ASN 21 1.011 -2.672 10.628 170 HB3 ASN 21 2HB ASN 21 2.554 -3.406 10.279 171 HD21 ASN 21 1HD2 ASN 21 4.361 -2.372 11.863 172 HD22 ASN 21 2HD2 ASN 21 3.741 -2.303 13.588 173 H ALA 22 H ALA 22 3.581 -1.683 7.547 174 HA ALA 22 HA ALA 22 6.435 -0.963 8.392 175 HB1 ALA 22 3HB ALA 22 6.230 -3.020 7.001 176 HB2 ALA 22 1HB ALA 22 5.411 -2.108 5.708 177 HB3 ALA 22 2HB ALA 22 7.101 -1.749 6.125 178 H VAL 23 H VAL 23 3.875 0.051 6.071 179 HA VAL 23 HA VAL 23 5.390 2.373 5.077 180 HB VAL 23 HB VAL 23 2.374 1.918 4.862 181 HG11 VAL 23 1HG1 VAL 23 2.518 3.355 2.781 182 HG12 VAL 23 2HG1 VAL 23 2.854 4.274 4.269 183 HG13 VAL 23 3HG1 VAL 23 4.196 3.787 3.212 184 HG21 VAL 23 3HG2 VAL 23 2.893 1.017 2.545 185 HG22 VAL 23 1HG2 VAL 23 4.632 1.215 2.844 186 HG23 VAL 23 2HG2 VAL 23 3.704 0.029 3.765 187 H GLU 24 H GLU 24 3.078 2.236 7.831 188 HA GLU 24 HA GLU 24 3.457 5.158 8.379 189 HB2 GLU 24 1HB GLU 24 1.522 3.330 9.108 190 HB3 GLU 24 2HB GLU 24 2.544 3.170 10.492 191 HG2 GLU 24 1HG GLU 24 1.126 5.679 9.353 192 HG3 GLU 24 2HG GLU 24 0.683 4.799 10.797 193 H GLN 25 H GLN 25 4.950 2.164 9.502 194 HA GLN 25 HA GLN 25 6.688 3.382 11.559 195 HB2 GLN 25 1HB GLN 25 5.931 1.001 11.501 196 HB3 GLN 25 2HB GLN 25 6.932 0.694 10.080 197 HG2 GLN 25 1HG GLN 25 9.009 1.175 11.449 198 HG3 GLN 25 2HG GLN 25 8.026 1.572 12.846 199 HE21 GLN 25 1HE2 GLN 25 7.086 -0.176 14.008 200 HE22 GLN 25 2HE2 GLN 25 7.573 -1.912 13.617 201 H LEU 26 H LEU 26 7.350 2.790 8.057 202 HA LEU 26 HA LEU 26 10.066 3.650 8.059 203 HG LEU 26 HG LEU 26 6.887 3.967 6.055 204 HB2 LEU 26 1HB LEU 26 9.923 4.259 5.765 205 HB3 LEU 26 2HB LEU 26 9.128 2.755 6.151 206 HD11 LEU 26 1HD1 LEU 26 8.470 6.099 4.465 207 HD12 LEU 26 2HD1 LEU 26 6.688 5.976 4.569 208 HD13 LEU 26 3HD1 LEU 26 7.609 6.404 5.979 209 HD21 LEU 26 3HD2 LEU 26 8.598 3.645 3.507 210 HD22 LEU 26 1HD2 LEU 26 7.591 2.393 4.294 211 HD23 LEU 26 2HD2 LEU 26 6.824 3.777 3.523 212 H GLN 27 H GLN 27 7.393 5.771 8.590 213 HA GLN 27 HA GLN 27 7.218 8.126 8.609 214 HB2 GLN 27 1HB GLN 27 7.866 6.863 10.852 215 HB3 GLN 27 2HB GLN 27 9.307 7.842 10.780 216 HG2 GLN 27 1HG GLN 27 7.654 8.987 12.162 217 HG3 GLN 27 2HG GLN 27 7.835 9.942 10.706 218 HE21 GLN 27 1HE2 GLN 27 5.758 7.415 12.108 219 HE22 GLN 27 2HE2 GLN 27 4.278 7.898 11.158 220 H VAL 28 H VAL 28 8.481 8.059 6.445 221 HA VAL 28 HA VAL 28 10.955 9.783 6.483 222 HB VAL 28 HB VAL 28 9.495 8.405 4.134 223 HG11 VAL 28 1HG1 VAL 28 10.853 10.309 3.242 224 HG12 VAL 28 2HG1 VAL 28 12.272 9.798 4.186 225 HG13 VAL 28 3HG1 VAL 28 11.654 8.787 2.852 226 HG21 VAL 28 3HG2 VAL 28 11.465 6.808 4.167 227 HG22 VAL 28 1HG2 VAL 28 12.069 7.570 5.662 228 HG23 VAL 28 2HG2 VAL 28 10.523 6.699 5.651 229 H GLY 29 H GLY 29 10.940 11.868 6.133 230 HA2 GLY 29 1HA GLY 29 8.579 13.341 4.803 231 HA3 GLY 29 2HA GLY 29 9.477 14.038 6.122 232 H GLN 30 H GLN 30 10.173 12.512 3.022 233 HA GLN 30 HA GLN 30 12.236 14.696 2.430 234 HB2 GLN 30 1HB GLN 30 13.146 12.506 3.198 235 HB3 GLN 30 2HB GLN 30 12.390 11.677 1.847 236 HG2 GLN 30 1HG GLN 30 14.728 11.966 1.386 237 HG3 GLN 30 2HG GLN 30 13.832 12.885 0.207 238 HE21 GLN 30 1HE2 GLN 30 13.874 15.261 0.452 239 HE22 GLN 30 2HE2 GLN 30 15.306 15.980 1.360 240 H SER 31 H SER 31 10.188 12.374 0.536 241 HA SER 31 HA SER 31 10.098 14.415 -1.683 242 HG SER 31 HG SER 31 10.748 13.889 -3.901 243 HB2 SER 31 1HB SER 31 12.288 13.388 -2.086 244 HB3 SER 31 2HB SER 31 11.603 11.761 -2.099 245 H LYS 32 H LYS 32 8.572 14.225 -3.070 246 HA LYS 32 HA LYS 32 6.260 12.426 -2.594 247 HB2 LYS 32 1HB LYS 32 5.155 13.581 -4.508 248 HB3 LYS 32 2HB LYS 32 5.653 14.619 -3.195 249 HG2 LYS 32 1HG LYS 32 7.412 15.644 -4.377 250 HG3 LYS 32 2HG LYS 32 7.517 14.432 -5.628 251 HD2 LYS 32 1HD LYS 32 5.420 15.139 -6.662 252 HD3 LYS 32 2HD LYS 32 4.981 16.132 -5.276 253 HE2 LYS 32 1HE LYS 32 5.707 17.555 -7.096 254 HE3 LYS 32 2HE LYS 32 6.753 17.762 -5.694 255 HZ1 LYS 32 3HZ LYS 32 8.543 16.553 -6.785 256 HZ2 LYS 32 1HZ LYS 32 7.544 16.087 -8.067 257 HZ3 LYS 32 2HZ LYS 32 7.932 17.688 -7.857 258 H GLN 33 H GLN 33 8.549 12.612 -5.269 259 HA GLN 33 HA GLN 33 7.267 10.345 -6.748 260 HB2 GLN 33 1HB GLN 33 8.331 12.188 -7.895 261 HB3 GLN 33 2HB GLN 33 9.906 11.874 -7.161 262 HG2 GLN 33 1HG GLN 33 10.238 9.829 -8.393 263 HG3 GLN 33 2HG GLN 33 8.544 9.668 -8.802 264 HE21 GLN 33 1HE2 GLN 33 11.515 10.959 -9.910 265 HE22 GLN 33 2HE2 GLN 33 10.776 11.793 -11.375 266 H GLN 34 H GLN 34 9.909 10.526 -4.476 267 HA GLN 34 HA GLN 34 10.869 7.718 -4.823 268 HB2 GLN 34 1HB GLN 34 11.099 9.576 -2.374 269 HB3 GLN 34 2HB GLN 34 11.855 8.003 -2.492 270 HG2 GLN 34 1HG GLN 34 12.506 10.434 -4.288 271 HG3 GLN 34 2HG GLN 34 13.418 9.881 -2.910 272 HE21 GLN 34 1HE2 GLN 34 12.884 9.374 -6.267 273 HE22 GLN 34 2HE2 GLN 34 14.149 8.038 -6.405 274 H VAL 35 H VAL 35 8.512 9.185 -2.491 275 HA VAL 35 HA VAL 35 7.817 6.511 -1.418 276 HB VAL 35 HB VAL 35 7.652 8.638 -0.105 277 HG11 VAL 35 1HG1 VAL 35 6.401 10.112 -1.749 278 HG12 VAL 35 2HG1 VAL 35 4.952 9.130 -1.533 279 HG13 VAL 35 3HG1 VAL 35 5.633 10.036 -0.159 280 HG21 VAL 35 3HG2 VAL 35 6.615 6.501 0.685 281 HG22 VAL 35 1HG2 VAL 35 5.710 7.926 1.231 282 HG23 VAL 35 2HG2 VAL 35 5.087 6.939 -0.110 283 H SER 36 H SER 36 6.333 8.492 -3.973 284 HA SER 36 HA SER 36 4.174 6.493 -4.444 285 HG SER 36 HG SER 36 4.533 7.712 -7.679 286 HB2 SER 36 1HB SER 36 3.288 7.931 -5.944 287 HB3 SER 36 2HB SER 36 4.370 9.116 -5.234 288 H ALA 37 H ALA 37 7.371 6.868 -5.964 289 HA ALA 37 HA ALA 37 7.007 4.595 -7.822 290 HB1 ALA 37 3HB ALA 37 9.514 4.725 -8.052 291 HB2 ALA 37 1HB ALA 37 8.788 6.344 -8.115 292 HB3 ALA 37 2HB ALA 37 9.601 5.798 -6.632 293 H LEU 38 H LEU 38 8.325 4.684 -4.499 294 HA LEU 38 HA LEU 38 8.849 1.749 -4.380 295 HG LEU 38 HG LEU 38 10.700 1.664 -2.730 296 HB2 LEU 38 1HB LEU 38 8.719 4.009 -2.302 297 HB3 LEU 38 2HB LEU 38 8.545 2.372 -1.730 298 HD11 LEU 38 1HD1 LEU 38 10.998 3.407 -4.559 299 HD12 LEU 38 2HD1 LEU 38 11.172 4.671 -3.326 300 HD13 LEU 38 3HD1 LEU 38 12.376 3.372 -3.451 301 HD21 LEU 38 3HD2 LEU 38 12.088 2.859 -1.000 302 HD22 LEU 38 1HD2 LEU 38 10.818 4.092 -0.812 303 HD23 LEU 38 2HD2 LEU 38 10.509 2.403 -0.339 304 H LEU 39 H LEU 39 6.039 3.663 -3.289 305 HA LEU 39 HA LEU 39 4.425 1.276 -2.536 306 HG LEU 39 HG LEU 39 4.997 3.812 -1.009 307 HB2 LEU 39 1HB LEU 39 3.749 4.201 -3.240 308 HB3 LEU 39 2HB LEU 39 2.517 3.093 -2.722 309 HD11 LEU 39 1HD1 LEU 39 3.560 5.796 -1.393 310 HD12 LEU 39 2HD1 LEU 39 2.098 4.896 -0.940 311 HD13 LEU 39 3HD1 LEU 39 3.354 5.227 0.278 312 HD21 LEU 39 3HD2 LEU 39 2.373 2.560 -0.009 313 HD22 LEU 39 1HD2 LEU 39 3.767 1.539 -0.467 314 HD23 LEU 39 2HD2 LEU 39 3.901 2.640 0.865 315 H GLY 40 H GLY 40 4.773 2.991 -5.548 316 HA2 GLY 40 1HA GLY 40 4.452 1.806 -7.746 317 HA3 GLY 40 2HA GLY 40 3.260 0.751 -7.026 318 H THR 41 H THR 41 3.778 4.235 -7.580 319 HA THR 41 HA THR 41 1.242 4.472 -9.177 320 HB THR 41 HB THR 41 1.572 5.970 -6.491 321 HG1 THR 41 HG1 THR 41 0.643 3.607 -7.029 322 HG21 THR 41 3HG2 THR 41 -0.808 6.035 -8.480 323 HG22 THR 41 1HG2 THR 41 -0.777 6.763 -6.875 324 HG23 THR 41 2HG2 THR 41 0.276 7.411 -8.140 325 HA PRO 42 HA PRO 42 4.083 7.634 -10.962 326 HB2 PRO 42 1HB PRO 42 2.333 9.023 -12.652 327 HB3 PRO 42 2HB PRO 42 2.972 7.396 -12.972 328 HG2 PRO 42 1HG PRO 42 0.274 8.102 -11.661 329 HG3 PRO 42 2HG PRO 42 0.541 7.027 -13.061 330 HD2 PRO 42 1HD PRO 42 0.281 6.005 -10.526 331 HD3 PRO 42 2HD PRO 42 1.485 5.273 -11.628 332 H SER 43 H SER 43 4.581 9.858 -10.813 333 HA SER 43 HA SER 43 3.749 10.877 -8.160 334 HG SER 43 HG SER 43 7.060 11.816 -10.406 335 HB2 SER 43 1HB SER 43 5.866 12.062 -8.277 336 HB3 SER 43 2HB SER 43 6.113 10.455 -8.933 337 H ILE 44 H ILE 44 4.507 13.464 -8.547 338 HA ILE 44 HA ILE 44 2.208 14.837 -10.006 339 HB ILE 44 HB ILE 44 3.205 15.756 -7.243 340 HG12 ILE 44 1HG1 ILE 44 0.357 14.926 -8.124 341 HG13 ILE 44 2HG1 ILE 44 1.461 13.835 -7.305 342 HG21 ILE 44 1HG2 ILE 44 2.800 17.720 -8.799 343 HG22 ILE 44 2HG2 ILE 44 1.184 17.081 -9.194 344 HG23 ILE 44 3HG2 ILE 44 1.561 17.654 -7.550 345 HD11 ILE 44 3HD1 ILE 44 0.394 16.455 -6.074 346 HD12 ILE 44 1HD1 ILE 44 -0.037 14.801 -5.641 347 HD13 ILE 44 2HD1 ILE 44 1.598 15.395 -5.311 348 HA PRO 45 HA PRO 45 6.514 16.033 -11.360 349 HB2 PRO 45 1HB PRO 45 6.139 16.271 -14.080 350 HB3 PRO 45 2HB PRO 45 6.139 14.717 -13.217 351 HG2 PRO 45 1HG PRO 45 3.665 16.403 -13.975 352 HG3 PRO 45 2HG PRO 45 3.962 14.691 -14.392 353 HD2 PRO 45 1HD PRO 45 2.469 15.357 -12.162 354 HD3 PRO 45 2HD PRO 45 3.602 13.973 -12.090 355 H ASP 46 H ASP 46 5.670 17.848 -9.959 356 HA ASP 46 HA ASP 46 6.296 20.417 -11.500 357 HB2 ASP 46 1HB ASP 46 3.943 20.531 -10.873 358 HB3 ASP 46 2HB ASP 46 4.284 20.172 -9.188 359 HA PRO 47 HA PRO 47 9.279 20.780 -7.902 360 HB2 PRO 47 1HB PRO 47 11.201 22.316 -9.109 361 HB3 PRO 47 2HB PRO 47 10.947 20.633 -9.627 362 HG2 PRO 47 1HG PRO 47 9.788 23.179 -10.942 363 HG3 PRO 47 2HG PRO 47 10.711 21.883 -11.752 364 HD2 PRO 47 1HD PRO 47 7.884 21.980 -11.630 365 HD3 PRO 47 2HD PRO 47 8.788 20.438 -11.791 366 H PHE 48 H PHE 48 7.107 23.080 -9.239 367 HA PHE 48 HA PHE 48 8.213 25.444 -7.747 368 HD1 PHE 48 HD1 PHE 48 8.245 27.832 -9.310 369 HD2 PHE 48 HD2 PHE 48 4.219 26.767 -8.213 370 HE1 PHE 48 HE1 PHE 48 7.755 30.191 -8.789 371 HE2 PHE 48 HE2 PHE 48 3.741 29.130 -7.696 372 HZ PHE 48 HZ PHE 48 5.507 30.847 -7.980 373 HB2 PHE 48 1HB PHE 48 7.187 25.596 -10.026 374 HB3 PHE 48 2HB PHE 48 5.631 25.124 -9.394 375 H HIS 49 H HIS 49 4.970 23.809 -7.494 376 HA HIS 49 HA HIS 49 5.137 23.938 -4.526 377 HD1 HIS 49 HD1 HIS 49 2.955 27.886 -3.663 378 HD2 HIS 49 HD2 HIS 49 2.802 23.684 -2.795 379 HE1 HIS 49 HE1 HIS 49 1.838 27.466 -1.377 380 HB2 HIS 49 1HB HIS 49 4.525 26.338 -5.165 381 HB3 HIS 49 2HB HIS 49 3.009 25.753 -5.843 382 H ALA 50 H ALA 50 5.043 21.756 -5.453 383 HA ALA 50 HA ALA 50 2.470 20.673 -6.343 384 HB1 ALA 50 3HB ALA 50 4.722 19.895 -7.034 385 HB2 ALA 50 1HB ALA 50 5.044 19.301 -5.390 386 HB3 ALA 50 2HB ALA 50 3.743 18.576 -6.360 387 H GLN 51 H GLN 51 0.892 20.918 -4.835 388 HA GLN 51 HA GLN 51 1.079 19.966 -2.026 389 HB2 GLN 51 1HB GLN 51 -1.287 20.900 -3.783 390 HB3 GLN 51 2HB GLN 51 -1.463 20.500 -2.084 391 HG2 GLN 51 1HG GLN 51 0.276 22.210 -1.440 392 HG3 GLN 51 2HG GLN 51 0.422 22.691 -3.127 393 HE21 GLN 51 1HE2 GLN 51 -0.103 24.721 -1.865 394 HE22 GLN 51 2HE2 GLN 51 -1.901 25.138 -1.814 395 H ARG 52 H ARG 52 -1.380 18.664 -1.674 396 HA ARG 52 HA ARG 52 -0.193 16.167 -1.349 397 HE ARG 52 HE ARG 52 -6.194 16.323 -1.584 398 HB2 ARG 52 1HB ARG 52 -2.033 15.531 -0.125 399 HB3 ARG 52 2HB ARG 52 -2.032 17.253 -0.001 400 HG2 ARG 52 1HG ARG 52 -3.870 15.400 -1.604 401 HG3 ARG 52 2HG ARG 52 -4.237 16.224 -0.100 402 HD2 ARG 52 1HD ARG 52 -4.222 18.463 -1.299 403 HD3 ARG 52 2HD ARG 52 -3.813 17.622 -2.825 404 HH11 ARG 52 2HH2 ARG 52 -5.362 19.105 -3.508 405 HH12 ARG 52 1HH2 ARG 52 -6.991 19.038 -4.344 406 HH21 ARG 52 2HH1 ARG 52 -7.847 16.260 -2.451 407 HH22 ARG 52 1HH1 ARG 52 -8.402 17.466 -3.742 408 H TRP 53 H TRP 53 -0.653 14.061 -1.882 409 HA TRP 53 HA TRP 53 -1.696 13.447 -4.696 410 HD1 TRP 53 HD1 TRP 53 -2.506 10.621 -5.251 411 HE1 TRP 53 HE1 TRP 53 -2.355 8.016 -5.255 412 HE3 TRP 53 HE3 TRP 53 2.117 10.300 -3.034 413 HZ2 TRP 53 HZ2 TRP 53 -0.373 6.153 -4.348 414 HZ3 TRP 53 HZ3 TRP 53 3.047 8.048 -2.570 415 HH2 TRP 53 HH2 TRP 53 1.819 6.022 -3.163 416 HB2 TRP 53 1HB TRP 53 0.453 12.554 -4.550 417 HB3 TRP 53 2HB TRP 53 0.266 12.043 -2.879 418 H ASP 54 H ASP 54 -3.853 13.494 -4.343 419 HA ASP 54 HA ASP 54 -5.075 12.036 -1.955 420 HB2 ASP 54 1HB ASP 54 -5.476 14.618 -2.938 421 HB3 ASP 54 2HB ASP 54 -6.718 13.801 -3.823 422 H TYR 55 H TYR 55 -4.242 10.653 -4.395 423 HA TYR 55 HA TYR 55 -6.772 10.455 -6.054 424 HD1 TYR 55 HD2 TYR 55 -6.718 12.826 -6.635 425 HD2 TYR 55 HD1 TYR 55 -2.516 12.121 -7.317 426 HE1 TYR 55 HE2 TYR 55 -6.227 15.182 -6.145 427 HE2 TYR 55 HE1 TYR 55 -2.060 14.478 -6.857 428 HH TYR 55 HH TYR 55 -3.054 16.145 -5.377 429 HB2 TYR 55 1HB TYR 55 -3.901 10.224 -7.114 430 HB3 TYR 55 2HB TYR 55 -5.364 10.514 -8.027 431 H THR 56 H THR 56 -7.524 8.702 -6.950 432 HA THR 56 HA THR 56 -6.764 6.104 -5.809 433 HB THR 56 HB THR 56 -8.861 6.578 -8.014 434 HG1 THR 56 HG1 THR 56 -8.921 7.447 -5.362 435 HG21 THR 56 3HG2 THR 56 -10.095 4.746 -6.843 436 HG22 THR 56 1HG2 THR 56 -8.488 4.158 -7.312 437 HG23 THR 56 2HG2 THR 56 -8.813 4.600 -5.624 438 H SER 57 H SER 57 -5.057 4.931 -6.645 439 HA SER 57 HA SER 57 -4.901 4.400 -9.618 440 HG SER 57 HG SER 57 -3.909 1.648 -7.576 441 HB2 SER 57 1HB SER 57 -3.081 3.027 -9.242 442 HB3 SER 57 2HB SER 57 -2.863 4.304 -8.051 443 H THR 58 H THR 58 -5.587 2.521 -10.595 444 HA THR 58 HA THR 58 -6.829 0.288 -9.127 445 HB THR 58 HB THR 58 -8.717 1.846 -9.071 446 HG1 THR 58 HG1 THR 58 -10.082 0.209 -10.340 447 HG21 THR 58 3HG2 THR 58 -8.571 2.984 -11.333 448 HG22 THR 58 1HG2 THR 58 -8.974 1.450 -12.132 449 HG23 THR 58 2HG2 THR 58 -10.143 2.229 -11.036 450 H GLN 59 H GLN 59 -8.033 -1.043 -10.937 451 HA GLN 59 HA GLN 59 -7.750 -2.613 -12.660 452 HB2 GLN 59 1HB GLN 59 -7.096 0.019 -13.874 453 HB3 GLN 59 2HB GLN 59 -6.348 -1.264 -14.763 454 HG2 GLN 59 1HG GLN 59 -9.346 -1.138 -14.039 455 HG3 GLN 59 2HG GLN 59 -8.633 -0.578 -15.545 456 HE21 GLN 59 1HE2 GLN 59 -10.553 -2.219 -15.941 457 HE22 GLN 59 2HE2 GLN 59 -9.922 -3.897 -16.361 458 H ARG 60 H ARG 60 -6.247 -3.565 -14.366 459 HA ARG 60 HA ARG 60 -4.245 -5.024 -12.756 460 HE ARG 60 HE ARG 60 -2.084 -5.276 -15.968 461 HB2 ARG 60 1HB ARG 60 -5.778 -6.035 -14.431 462 HB3 ARG 60 2HB ARG 60 -4.960 -5.216 -15.748 463 HG2 ARG 60 1HG ARG 60 -3.023 -6.814 -14.073 464 HG3 ARG 60 2HG ARG 60 -4.401 -7.773 -14.530 465 HD2 ARG 60 1HD ARG 60 -2.762 -8.157 -16.183 466 HD3 ARG 60 2HD ARG 60 -3.998 -7.161 -16.996 467 HH11 ARG 60 2HH2 ARG 60 -2.144 -7.758 -18.378 468 HH12 ARG 60 1HH2 ARG 60 -0.681 -7.061 -19.238 469 HH21 ARG 60 2HH1 ARG 60 -0.257 -4.690 -16.789 470 HH22 ARG 60 1HH1 ARG 60 0.287 -5.363 -18.387 471 H VAL 61 H VAL 61 -2.465 -3.783 -12.196 472 HA VAL 61 HA VAL 61 -0.751 -2.485 -14.139 473 HB VAL 61 HB VAL 61 -0.776 -1.967 -11.741 474 HG11 VAL 61 1HG1 VAL 61 1.095 -4.388 -11.298 475 HG12 VAL 61 2HG1 VAL 61 0.713 -3.110 -10.137 476 HG13 VAL 61 3HG1 VAL 61 -0.556 -4.225 -10.647 477 HG21 VAL 61 3HG2 VAL 61 1.599 -1.331 -11.611 478 HG22 VAL 61 1HG2 VAL 61 2.034 -2.477 -12.904 479 HG23 VAL 61 2HG2 VAL 61 0.973 -1.088 -13.253 480 H ASP 62 H ASP 62 -0.288 -5.749 -12.731 481 HA ASP 62 HA ASP 62 1.466 -6.446 -15.161 482 HB2 ASP 62 1HB ASP 62 2.665 -5.896 -12.961 483 HB3 ASP 62 2HB ASP 62 1.879 -7.270 -12.205 484 H ARG 63 H ARG 63 1.904 -8.813 -15.035 485 HA ARG 63 HA ARG 63 -0.534 -10.511 -15.498 486 HE ARG 63 HE ARG 63 0.026 -14.686 -17.717 487 HB2 ARG 63 1HB ARG 63 1.710 -10.540 -16.867 488 HB3 ARG 63 2HB ARG 63 2.440 -11.278 -15.472 489 HG2 ARG 63 1HG ARG 63 1.973 -13.114 -16.801 490 HG3 ARG 63 2HG ARG 63 0.580 -13.177 -15.723 491 HD2 ARG 63 1HD ARG 63 -0.822 -11.980 -17.506 492 HD3 ARG 63 2HD ARG 63 0.633 -11.841 -18.523 493 HH11 ARG 63 2HH2 ARG 63 -0.618 -12.274 -20.156 494 HH12 ARG 63 1HH2 ARG 63 -1.010 -13.566 -21.387 495 HH21 ARG 63 2HH1 ARG 63 -0.422 -16.061 -19.089 496 HH22 ARG 63 1HH1 ARG 63 -0.898 -15.623 -20.798 497 H LEU 64 H LEU 64 2.061 -10.193 -13.025 498 HA LEU 64 HA LEU 64 0.684 -12.242 -11.274 499 HG LEU 64 HG LEU 64 3.314 -9.550 -11.022 500 HB2 LEU 64 1HB LEU 64 2.437 -12.157 -9.735 501 HB3 LEU 64 2HB LEU 64 3.057 -12.353 -11.343 502 HD11 LEU 64 1HD1 LEU 64 4.321 -9.192 -8.793 503 HD12 LEU 64 2HD1 LEU 64 2.657 -9.747 -8.568 504 HD13 LEU 64 3HD1 LEU 64 4.009 -10.872 -8.310 505 HD21 LEU 64 3HD2 LEU 64 5.733 -10.008 -10.700 506 HD22 LEU 64 1HD2 LEU 64 5.406 -11.729 -10.380 507 HD23 LEU 64 2HD2 LEU 64 5.051 -11.013 -11.979 508 H ALA 65 H ALA 65 1.349 -8.731 -11.035 509 HA ALA 65 HA ALA 65 -0.531 -8.483 -8.677 510 HB1 ALA 65 3HB ALA 65 1.591 -7.283 -8.616 511 HB2 ALA 65 1HB ALA 65 1.207 -6.383 -10.102 512 HB3 ALA 65 2HB ALA 65 0.252 -6.122 -8.630 513 H ARG 66 H ARG 66 -2.418 -9.003 -9.551 514 HA ARG 66 HA ARG 66 -3.450 -7.906 -12.064 515 HE ARG 66 HE ARG 66 -2.656 -13.380 -12.125 516 HB2 ARG 66 1HB ARG 66 -4.673 -9.820 -9.983 517 HB3 ARG 66 2HB ARG 66 -5.474 -9.416 -11.496 518 HG2 ARG 66 1HG ARG 66 -3.573 -10.261 -12.854 519 HG3 ARG 66 2HG ARG 66 -2.623 -10.610 -11.422 520 HD2 ARG 66 1HD ARG 66 -4.262 -12.294 -10.622 521 HD3 ARG 66 2HD ARG 66 -5.366 -11.968 -11.943 522 HH11 ARG 66 2HH2 ARG 66 -5.318 -12.105 -13.959 523 HH12 ARG 66 1HH2 ARG 66 -4.782 -12.991 -15.468 524 HH21 ARG 66 2HH1 ARG 66 -2.080 -14.293 -13.754 525 HH22 ARG 66 1HH1 ARG 66 -2.980 -14.180 -15.358 526 H THR 67 H THR 67 -4.207 -6.740 -8.835 527 HA THR 67 HA THR 67 -6.137 -4.751 -10.122 528 HB THR 67 HB THR 67 -7.627 -4.892 -8.161 529 HG1 THR 67 HG1 THR 67 -5.961 -5.932 -6.855 530 HG21 THR 67 3HG2 THR 67 -7.483 -7.670 -9.472 531 HG22 THR 67 1HG2 THR 67 -8.883 -6.928 -8.673 532 HG23 THR 67 2HG2 THR 67 -8.265 -6.251 -10.202 533 H GLU 68 H GLU 68 -4.931 -2.958 -9.856 534 HA GLU 68 HA GLU 68 -3.187 -2.585 -7.437 535 HB2 GLU 68 1HB GLU 68 -2.556 -2.436 -9.932 536 HB3 GLU 68 2HB GLU 68 -3.535 -0.981 -10.063 537 HG2 GLU 68 1HG GLU 68 -1.283 -0.291 -9.921 538 HG3 GLU 68 2HG GLU 68 -1.966 0.162 -8.387 539 H ILE 69 H ILE 69 -5.302 -2.338 -6.217 540 HA ILE 69 HA ILE 69 -6.738 0.244 -6.549 541 HB ILE 69 HB ILE 69 -7.486 -1.459 -4.138 542 HG12 ILE 69 1HG1 ILE 69 -9.234 -2.523 -5.940 543 HG13 ILE 69 2HG1 ILE 69 -7.863 -2.398 -7.025 544 HG21 ILE 69 1HG2 ILE 69 -9.736 -0.597 -4.684 545 HG22 ILE 69 2HG2 ILE 69 -8.592 0.750 -4.587 546 HG23 ILE 69 3HG2 ILE 69 -9.141 0.169 -6.179 547 HD11 ILE 69 3HD1 ILE 69 -7.897 -3.823 -4.256 548 HD12 ILE 69 1HD1 ILE 69 -7.975 -4.626 -5.829 549 HD13 ILE 69 2HD1 ILE 69 -6.486 -3.790 -5.328 550 H LYS 70 H LYS 70 -5.701 2.070 -5.792 551 HA LYS 70 HA LYS 70 -4.914 2.209 -2.871 552 HB2 LYS 70 1HB LYS 70 -2.809 2.719 -5.044 553 HB3 LYS 70 2HB LYS 70 -2.654 3.231 -3.388 554 HG2 LYS 70 1HG LYS 70 -2.662 0.974 -2.510 555 HG3 LYS 70 2HG LYS 70 -3.116 0.252 -4.029 556 HD2 LYS 70 1HD LYS 70 -0.430 1.669 -3.524 557 HD3 LYS 70 2HD LYS 70 -0.793 -0.056 -3.390 558 HE2 LYS 70 1HE LYS 70 -1.639 0.154 -5.927 559 HE3 LYS 70 2HE LYS 70 -0.719 1.655 -5.958 560 HZ1 LYS 70 3HZ LYS 70 1.322 0.270 -5.249 561 HZ2 LYS 70 1HZ LYS 70 0.326 -1.074 -5.195 562 HZ3 LYS 70 2HZ LYS 70 0.596 -0.361 -6.651 563 H ASN 71 H ASN 71 -6.579 3.708 -2.681 564 HA ASN 71 HA ASN 71 -5.872 6.504 -3.711 565 HB2 ASN 71 1HB ASN 71 -8.325 5.647 -3.558 566 HB3 ASN 71 2HB ASN 71 -8.220 5.827 -1.821 567 HD21 ASN 71 1HD2 ASN 71 -7.565 8.144 -1.115 568 HD22 ASN 71 2HD2 ASN 71 -8.078 9.496 -2.245 569 H PHE 72 H PHE 72 -3.836 6.432 -2.665 570 HA PHE 72 HA PHE 72 -3.695 6.503 0.380 571 HD1 PHE 72 HD2 PHE 72 -1.635 4.918 1.539 572 HD2 PHE 72 HD1 PHE 72 0.242 7.914 -0.891 573 HE1 PHE 72 HE2 PHE 72 0.285 4.937 3.066 574 HE2 PHE 72 HE1 PHE 72 2.170 7.947 0.654 575 HZ PHE 72 HZ PHE 72 2.208 6.443 2.620 576 HB2 PHE 72 1HB PHE 72 -2.093 5.166 -1.032 577 HB3 PHE 72 2HB PHE 72 -1.551 6.611 -1.840 578 H THR 73 H THR 73 -4.834 8.446 0.757 579 HA THR 73 HA THR 73 -4.076 11.002 -0.442 580 HB THR 73 HB THR 73 -5.829 10.483 1.971 581 HG1 THR 73 HG1 THR 73 -6.746 11.661 -0.368 582 HG21 THR 73 3HG2 THR 73 -6.615 12.852 1.601 583 HG22 THR 73 1HG2 THR 73 -4.924 12.834 2.150 584 HG23 THR 73 2HG2 THR 73 -5.289 13.115 0.441 585 H VAL 74 H VAL 74 -2.069 11.568 -0.268 586 HA VAL 74 HA VAL 74 -0.759 11.823 2.484 587 HB VAL 74 HB VAL 74 0.166 9.937 1.416 588 HG11 VAL 74 1HG1 VAL 74 1.583 10.031 -0.638 589 HG12 VAL 74 2HG1 VAL 74 -0.109 10.399 -1.026 590 HG13 VAL 74 3HG1 VAL 74 1.082 11.713 -0.925 591 HG21 VAL 74 3HG2 VAL 74 1.736 11.519 2.768 592 HG22 VAL 74 1HG2 VAL 74 2.574 10.476 1.593 593 HG23 VAL 74 2HG2 VAL 74 2.271 12.191 1.219 594 H PHE 75 H PHE 75 -0.027 13.633 3.044 595 HA PHE 75 HA PHE 75 -0.411 16.029 1.248 596 HD1 PHE 75 HD1 PHE 75 -2.293 14.413 4.259 597 HD2 PHE 75 HD2 PHE 75 -1.991 18.246 2.327 598 HE1 PHE 75 HE1 PHE 75 -4.767 14.537 4.075 599 HE2 PHE 75 HE2 PHE 75 -4.439 18.329 2.110 600 HZ PHE 75 HZ PHE 75 -5.832 16.475 2.991 601 HB2 PHE 75 1HB PHE 75 -0.089 15.723 4.295 602 HB3 PHE 75 2HB PHE 75 -0.020 17.285 3.512 603 H PHE 76 H PHE 76 1.056 17.307 0.526 604 HA PHE 76 HA PHE 76 3.971 17.076 1.406 605 HD1 PHE 76 HD1 PHE 76 5.287 15.046 0.257 606 HD2 PHE 76 HD2 PHE 76 2.127 15.752 -2.564 607 HE1 PHE 76 HE1 PHE 76 5.143 12.611 -0.223 608 HE2 PHE 76 HE2 PHE 76 2.090 13.365 -3.122 609 HZ PHE 76 HZ PHE 76 3.569 11.774 -1.905 610 HB2 PHE 76 1HB PHE 76 3.051 17.614 -1.497 611 HB3 PHE 76 2HB PHE 76 4.695 17.472 -0.935 612 H GLU 77 H GLU 77 5.082 19.047 1.391 613 HA GLU 77 HA GLU 77 3.521 21.624 0.978 614 HB2 GLU 77 1HB GLU 77 5.547 22.876 1.531 615 HB3 GLU 77 2HB GLU 77 4.822 21.912 2.790 616 HG2 GLU 77 1HG GLU 77 7.130 21.777 3.143 617 HG3 GLU 77 2HG GLU 77 6.658 20.189 2.589 618 H ASN 78 H ASN 78 6.604 20.519 -0.355 619 HA ASN 78 HA ASN 78 5.425 20.689 -3.173 620 HB2 ASN 78 1HB ASN 78 6.695 22.772 -2.635 621 HB3 ASN 78 2HB ASN 78 8.114 21.845 -2.182 622 HD21 ASN 78 1HD2 ASN 78 9.367 22.829 -3.715 623 HD22 ASN 78 2HD2 ASN 78 9.056 22.705 -5.521 624 H GLU 79 H GLU 79 8.402 19.661 -1.483 625 HA GLU 79 HA GLU 79 8.113 16.893 -2.759 626 HB2 GLU 79 1HB GLU 79 10.682 18.384 -2.022 627 HB3 GLU 79 2HB GLU 79 10.654 16.642 -1.988 628 HG2 GLU 79 1HG GLU 79 9.930 18.300 -4.484 629 HG3 GLU 79 2HG GLU 79 11.512 17.634 -4.135 630 H GLN 80 H GLN 80 8.490 18.569 0.464 631 HA GLN 80 HA GLN 80 9.349 15.874 1.531 632 HB2 GLN 80 1HB GLN 80 10.225 16.725 3.416 633 HB3 GLN 80 2HB GLN 80 10.718 17.774 2.126 634 HG2 GLN 80 1HG GLN 80 10.335 19.313 3.752 635 HG3 GLN 80 2HG GLN 80 8.801 19.413 2.953 636 HE21 GLN 80 1HE2 GLN 80 6.979 18.334 4.105 637 HE22 GLN 80 2HE2 GLN 80 7.153 18.112 5.918 638 H VAL 81 H VAL 81 8.292 14.689 2.927 639 HA VAL 81 HA VAL 81 5.378 14.879 2.457 640 HB VAL 81 HB VAL 81 6.681 12.523 3.954 641 HG11 VAL 81 1HG1 VAL 81 4.209 12.517 3.819 642 HG12 VAL 81 2HG1 VAL 81 4.265 12.771 2.062 643 HG13 VAL 81 3HG1 VAL 81 4.858 11.245 2.765 644 HG21 VAL 81 3HG2 VAL 81 6.929 11.388 1.645 645 HG22 VAL 81 1HG2 VAL 81 6.886 13.022 0.920 646 HG23 VAL 81 2HG2 VAL 81 8.146 12.587 2.055 647 H VAL 82 H VAL 82 3.813 15.256 3.777 648 HA VAL 82 HA VAL 82 4.450 16.203 6.574 649 HB VAL 82 HB VAL 82 2.096 16.733 4.682 650 HG11 VAL 82 1HG1 VAL 82 2.592 18.023 7.451 651 HG12 VAL 82 2HG1 VAL 82 1.388 18.547 6.248 652 HG13 VAL 82 3HG1 VAL 82 1.230 16.966 7.027 653 HG21 VAL 82 3HG2 VAL 82 3.099 18.833 4.185 654 HG22 VAL 82 1HG2 VAL 82 4.139 18.831 5.645 655 HG23 VAL 82 2HG2 VAL 82 4.514 17.796 4.269 656 H ARG 83 H ARG 83 1.658 14.400 5.182 657 HA ARG 83 HA ARG 83 2.011 12.211 7.027 658 HE ARG 83 HE ARG 83 -1.897 12.795 5.960 659 HB2 ARG 83 1HB ARG 83 0.185 12.203 8.542 660 HB3 ARG 83 2HB ARG 83 1.120 13.639 8.760 661 HG2 ARG 83 1HG ARG 83 -0.815 14.698 8.923 662 HG3 ARG 83 2HG ARG 83 -0.822 14.787 7.185 663 HD2 ARG 83 1HD ARG 83 -2.177 12.491 8.801 664 HD3 ARG 83 2HD ARG 83 -2.969 14.034 8.428 665 HH11 ARG 83 2HH2 ARG 83 -4.429 12.149 8.238 666 HH12 ARG 83 1HH2 ARG 83 -5.570 11.608 6.916 667 HH21 ARG 83 2HH1 ARG 83 -3.259 12.195 4.483 668 HH22 ARG 83 1HH1 ARG 83 -4.859 11.491 4.937 669 H TRP 84 H TRP 84 0.694 10.423 6.673 670 HA TRP 84 HA TRP 84 -0.928 10.513 4.097 671 HD1 TRP 84 HD1 TRP 84 0.342 6.236 5.503 672 HE1 TRP 84 HE1 TRP 84 2.476 5.524 6.872 673 HE3 TRP 84 HE3 TRP 84 3.270 10.268 4.313 674 HZ2 TRP 84 HZ2 TRP 84 4.976 6.757 7.436 675 HZ3 TRP 84 HZ3 TRP 84 5.573 10.396 5.251 676 HH2 TRP 84 HH2 TRP 84 6.390 8.703 6.748 677 HB2 TRP 84 1HB TRP 84 -0.102 8.255 3.538 678 HB3 TRP 84 2HB TRP 84 1.098 9.513 3.476 679 H GLU 85 H GLU 85 -2.768 9.749 4.066 680 HA GLU 85 HA GLU 85 -3.697 7.275 4.967 681 HB2 GLU 85 1HB GLU 85 -3.672 8.225 7.378 682 HB3 GLU 85 2HB GLU 85 -4.912 9.354 6.906 683 HG2 GLU 85 1HG GLU 85 -5.924 7.460 8.043 684 HG3 GLU 85 2HG GLU 85 -6.471 7.421 6.378 685 H GLY 86 H GLY 86 -5.279 6.864 3.709 686 HA2 GLY 86 1HA GLY 86 -7.661 8.644 3.377 687 HA3 GLY 86 2HA GLY 86 -6.983 8.102 1.835 688 H ASP 87 H ASP 87 -7.291 6.041 1.264 689 HA ASP 87 HA ASP 87 -6.802 4.068 3.123 690 HB2 ASP 87 1HB ASP 87 -9.434 4.028 3.512 691 HB3 ASP 87 2HB ASP 87 -9.529 3.204 1.963 692 H TYR 88 H TYR 88 -5.805 2.469 2.148 693 HA TYR 88 HA TYR 88 -5.646 2.539 -0.902 694 HD1 TYR 88 HD2 TYR 88 -3.787 3.205 2.850 695 HD2 TYR 88 HD1 TYR 88 -1.427 1.715 -0.430 696 HE1 TYR 88 HE2 TYR 88 -2.054 2.481 4.416 697 HE2 TYR 88 HE1 TYR 88 0.321 1.022 1.160 698 HH TYR 88 HH TYR 88 0.948 0.955 3.261 699 HB2 TYR 88 1HB TYR 88 -3.373 2.910 -0.959 700 HB3 TYR 88 2HB TYR 88 -3.971 4.051 0.197 701 H PHE 89 H PHE 89 -6.721 0.409 0.993 702 HA PHE 89 HA PHE 89 -6.741 -1.947 1.131 703 HD1 PHE 89 HD2 PHE 89 -8.627 -3.483 -0.635 704 HD2 PHE 89 HD1 PHE 89 -4.542 -3.995 -1.898 705 HE1 PHE 89 HE2 PHE 89 -9.095 -5.831 -1.217 706 HE2 PHE 89 HE1 PHE 89 -5.021 -6.344 -2.478 707 HZ PHE 89 HZ PHE 89 -7.300 -7.265 -2.153 708 HB2 PHE 89 1HB PHE 89 -7.164 -1.519 -1.336 709 HB3 PHE 89 2HB PHE 89 -5.477 -1.756 -1.667 710 HA PRO 90 HA PRO 90 -2.231 -1.771 2.317 711 HB2 PRO 90 1HB PRO 90 -2.352 -1.862 5.093 712 HB3 PRO 90 2HB PRO 90 -2.809 -0.455 4.110 713 HG2 PRO 90 1HG PRO 90 -4.706 -2.634 5.199 714 HG3 PRO 90 2HG PRO 90 -4.823 -0.870 5.463 715 HD2 PRO 90 1HD PRO 90 -6.256 -2.036 3.409 716 HD3 PRO 90 2HD PRO 90 -5.466 -0.460 3.158 717 H SER 91 H SER 91 -2.909 -3.935 1.254 718 HA SER 91 HA SER 91 -0.746 -5.606 1.688 719 HG SER 91 HG SER 91 -0.501 -7.953 1.981 720 HB2 SER 91 1HB SER 91 -1.558 -6.572 3.780 721 HB3 SER 91 2HB SER 91 -3.074 -7.079 3.039 722 H GLN 92 H GLN 92 -0.605 -5.650 -0.400 723 HA GLN 92 HA GLN 92 -2.633 -7.268 -2.035 724 HB2 GLN 92 1HB GLN 92 -2.008 -6.189 -4.089 725 HB3 GLN 92 2HB GLN 92 -2.675 -5.028 -2.960 726 HG2 GLN 92 1HG GLN 92 -0.433 -4.106 -2.451 727 HG3 GLN 92 2HG GLN 92 0.381 -5.308 -3.408 728 HE21 GLN 92 1HE2 GLN 92 -0.505 -5.344 -5.808 729 HE22 GLN 92 2HE2 GLN 92 -0.587 -3.641 -6.544 730 H ASP 93 H ASP 93 -1.286 -8.708 -0.636 731 HA ASP 93 HA ASP 93 1.032 -9.947 -2.078 732 HB2 ASP 93 1HB ASP 93 2.694 -9.505 -0.419 733 HB3 ASP 93 2HB ASP 93 2.132 -8.094 -1.239 734 H GLU 94 H GLU 94 0.093 -11.706 -2.058 735 HA GLU 94 HA GLU 94 -1.834 -12.696 -0.448 736 HB2 GLU 94 1HB GLU 94 0.037 -14.309 -2.301 737 HB3 GLU 94 2HB GLU 94 -1.474 -14.948 -1.709 738 HG2 GLU 94 1HG GLU 94 -2.822 -13.258 -2.914 739 HG3 GLU 94 2HG GLU 94 -1.365 -12.477 -3.530 740 H GLN 95 H GLN 95 0.671 -12.714 1.108 741 HA GLN 95 HA GLN 95 -0.158 -15.018 2.932 742 HB2 GLN 95 1HB GLN 95 2.338 -15.176 2.241 743 HB3 GLN 95 2HB GLN 95 2.625 -13.703 3.135 744 HG2 GLN 95 1HG GLN 95 1.526 -16.380 4.256 745 HG3 GLN 95 2HG GLN 95 3.182 -15.849 4.308 746 HE21 GLN 95 1HE2 GLN 95 0.123 -15.568 5.892 747 HE22 GLN 95 2HE2 GLN 95 0.795 -14.530 7.255 748 H LEU 96 H LEU 96 -1.842 -13.609 3.290 749 HA LEU 96 HA LEU 96 -1.500 -10.823 3.107 750 HG LEU 96 HG LEU 96 -3.869 -9.556 3.385 751 HB2 LEU 96 1HB LEU 96 -3.490 -12.469 2.492 752 HB3 LEU 96 2HB LEU 96 -4.076 -12.150 4.108 753 HD11 LEU 96 1HD1 LEU 96 -4.156 -9.203 0.924 754 HD12 LEU 96 2HD1 LEU 96 -2.617 -10.019 1.213 755 HD13 LEU 96 3HD1 LEU 96 -4.002 -10.945 0.608 756 HD21 LEU 96 3HD2 LEU 96 -6.185 -9.673 2.413 757 HD22 LEU 96 1HD2 LEU 96 -6.029 -11.430 2.192 758 HD23 LEU 96 2HD2 LEU 96 -6.039 -10.730 3.827 759 H ALA 97 H ALA 97 -0.014 -10.561 4.955 760 HA ALA 97 HA ALA 97 -1.066 -10.111 7.658 761 HB1 ALA 97 3HB ALA 97 1.573 -9.158 6.372 762 HB2 ALA 97 1HB ALA 97 1.227 -9.241 8.109 763 HB3 ALA 97 2HB ALA 97 1.283 -10.732 7.150 764 H LYS 98 H LYS 98 -2.876 -8.846 7.008 765 HA LYS 98 HA LYS 98 -2.469 -6.060 6.026 766 HB2 LYS 98 1HB LYS 98 -4.074 -7.926 5.231 767 HB3 LYS 98 2HB LYS 98 -5.134 -7.523 6.572 768 HG2 LYS 98 1HG LYS 98 -5.595 -5.292 5.658 769 HG3 LYS 98 2HG LYS 98 -4.149 -5.329 4.655 770 HD2 LYS 98 1HD LYS 98 -5.227 -7.407 3.432 771 HD3 LYS 98 2HD LYS 98 -6.731 -6.961 4.204 772 HE2 LYS 98 1HE LYS 98 -6.992 -4.969 2.935 773 HE3 LYS 98 2HE LYS 98 -5.266 -4.680 2.783 774 HZ1 LYS 98 3HZ LYS 98 -6.583 -6.965 1.329 775 HZ2 LYS 98 1HZ LYS 98 -6.300 -5.507 0.630 776 HZ3 LYS 98 2HZ LYS 98 -5.042 -6.426 1.111 777 H ALA 99 H ALA 99 -1.417 -5.455 8.004 778 HA ALA 99 HA ALA 99 -3.166 -4.770 10.377 779 HB1 ALA 99 3HB ALA 99 -0.101 -4.728 10.000 780 HB2 ALA 99 1HB ALA 99 -0.958 -4.428 11.527 781 HB3 ALA 99 2HB ALA 99 -1.073 -6.017 10.747 782 H ALA 100 H ALA 100 -4.122 -2.869 10.331 783 HA ALA 100 HA ALA 100 -2.829 -0.456 9.009 784 HB1 ALA 100 3HB ALA 100 -5.141 0.309 8.637 785 HB2 ALA 100 1HB ALA 100 -4.911 -1.335 8.015 786 HB3 ALA 100 2HB ALA 100 -5.792 -1.075 9.544 787 HA PRO 101 HA PRO 101 -2.988 1.546 13.212 788 HB2 PRO 101 1HB PRO 101 -0.564 2.843 13.137 789 HB3 PRO 101 2HB PRO 101 -0.731 1.113 13.514 790 HG2 PRO 101 1HG PRO 101 0.014 2.371 10.818 791 HG3 PRO 101 2HG PRO 101 0.849 1.044 11.662 792 HD2 PRO 101 1HD PRO 101 -1.077 0.692 9.638 793 HD3 PRO 101 2HD PRO 101 -0.803 -0.559 10.864 794 H LYS 102 H LYS 102 -4.704 2.359 12.001 795 HA LYS 102 HA LYS 102 -4.722 4.037 9.864 796 HB2 LYS 102 1HB LYS 102 -6.599 2.667 10.900 797 HB3 LYS 102 2HB LYS 102 -6.917 3.997 12.007 798 HG2 LYS 102 1HG LYS 102 -8.547 4.244 10.344 799 HG3 LYS 102 2HG LYS 102 -7.370 5.482 9.920 800 HD2 LYS 102 1HD LYS 102 -6.345 3.797 8.229 801 HD3 LYS 102 2HD LYS 102 -7.648 2.682 8.588 802 HE2 LYS 102 1HE LYS 102 -9.371 4.173 7.682 803 HE3 LYS 102 2HE LYS 102 -8.293 5.576 7.743 804 HZ1 LYS 102 3HZ LYS 102 -8.238 4.916 5.456 805 HZ2 LYS 102 1HZ LYS 102 -6.812 4.458 6.048 806 HZ3 LYS 102 2HZ LYS 102 -8.026 3.296 5.721 807 H GLN 103 H GLN 103 -4.156 6.059 9.410 808 HA GLN 103 HA GLN 103 -3.539 7.947 11.753 809 HB2 GLN 103 1HB GLN 103 -1.695 7.075 10.562 810 HB3 GLN 103 2HB GLN 103 -2.286 7.562 8.987 811 HG2 GLN 103 1HG GLN 103 -1.796 9.880 9.326 812 HG3 GLN 103 2HG GLN 103 -1.812 9.755 11.072 813 HE21 GLN 103 1HE2 GLN 103 0.064 8.297 8.385 814 HE22 GLN 103 2HE2 GLN 103 1.587 8.310 9.418 815 H PHE 104 H PHE 104 -5.830 8.411 11.740 816 HA PHE 104 HA PHE 104 -6.208 11.123 10.347 817 HD1 PHE 104 HD1 PHE 104 -7.693 11.856 8.505 818 HD2 PHE 104 HD2 PHE 104 -8.938 7.803 9.263 819 HE1 PHE 104 HE1 PHE 104 -8.076 11.513 6.090 820 HE2 PHE 104 HE2 PHE 104 -9.362 7.500 6.844 821 HZ PHE 104 HZ PHE 104 -8.913 9.338 5.266 822 HB2 PHE 104 1HB PHE 104 -8.481 9.223 11.162 823 HB3 PHE 104 2HB PHE 104 -8.699 10.930 10.864 824 H GLY 105 H GLY 105 -4.639 11.310 12.076 825 HA2 GLY 105 1HA GLY 105 -4.418 12.995 13.986 826 HA3 GLY 105 2HA GLY 105 -5.947 12.443 14.630 827 H ARG 106 H ARG 106 -5.943 10.041 15.145 828 HA ARG 106 HA ARG 106 -3.493 9.448 16.883 829 HE ARG 106 HE ARG 106 -4.142 6.251 20.482 830 HB2 ARG 106 1HB ARG 106 -5.829 9.618 17.825 831 HB3 ARG 106 2HB ARG 106 -6.313 8.185 16.942 832 HG2 ARG 106 1HG ARG 106 -3.970 8.231 18.975 833 HG3 ARG 106 2HG ARG 106 -5.656 8.091 19.454 834 HD2 ARG 106 1HD ARG 106 -5.883 5.983 18.013 835 HD3 ARG 106 2HD ARG 106 -4.138 6.037 17.705 836 HH11 ARG 106 2HH2 ARG 106 -5.743 3.842 18.449 837 HH12 ARG 106 1HH2 ARG 106 -6.075 2.842 19.974 838 HH21 ARG 106 2HH1 ARG 106 -4.498 4.937 22.071 839 HH22 ARG 106 1HH1 ARG 106 -5.414 3.365 21.725 840 H ASN 107 H ASN 107 -2.025 8.546 15.500 841 HA ASN 107 HA ASN 107 -2.696 6.555 13.427 842 HB2 ASN 107 1HB ASN 107 -0.309 6.562 12.907 843 HB3 ASN 107 2HB ASN 107 -0.983 8.165 13.021 844 HD21 ASN 107 1HD2 ASN 107 1.843 6.749 13.564 845 HD22 ASN 107 2HD2 ASN 107 2.309 7.761 15.032 846 H LEU 108 H LEU 108 -3.775 5.312 15.151 847 HA LEU 108 HA LEU 108 -2.507 2.661 15.238 848 HG LEU 108 HG LEU 108 -1.389 2.140 18.825 849 HB2 LEU 108 1HB LEU 108 -1.534 4.057 17.378 850 HB3 LEU 108 2HB LEU 108 -3.050 3.653 18.102 851 HD11 LEU 108 1HD1 LEU 108 -2.951 0.431 16.786 852 HD12 LEU 108 2HD1 LEU 108 -2.239 -0.084 18.321 853 HD13 LEU 108 3HD1 LEU 108 -3.628 1.018 18.312 854 HD21 LEU 108 3HD2 LEU 108 -0.679 1.380 15.917 855 HD22 LEU 108 1HD2 LEU 108 0.269 2.446 16.968 856 HD23 LEU 108 2HD2 LEU 108 0.058 0.739 17.398 857 H ALA 109 H ALA 109 -4.249 1.421 14.767 858 HA ALA 109 HA ALA 109 -7.038 2.255 15.576 859 HB1 ALA 109 3HB ALA 109 -7.776 0.433 14.053 860 HB2 ALA 109 1HB ALA 109 -6.649 1.549 13.265 861 HB3 ALA 109 2HB ALA 109 -6.093 -0.059 13.771 862 H ARG 110 H ARG 110 -5.611 -1.048 15.741 863 HA ARG 110 HA ARG 110 -7.267 -1.516 18.243 864 HE ARG 110 HE ARG 110 -5.469 -6.216 17.664 865 HB2 ARG 110 1HB ARG 110 -7.276 -3.014 16.174 866 HB3 ARG 110 2HB ARG 110 -5.667 -3.569 16.599 867 HG2 ARG 110 1HG ARG 110 -8.217 -3.798 18.347 868 HG3 ARG 110 2HG ARG 110 -7.661 -5.033 17.250 869 HD2 ARG 110 1HD ARG 110 -6.147 -4.074 19.762 870 HD3 ARG 110 2HD ARG 110 -7.144 -5.511 19.650 871 HH11 ARG 110 2HH2 ARG 110 -4.427 -4.510 20.564 872 HH12 ARG 110 1HH2 ARG 110 -2.782 -5.289 20.446 873 HH21 ARG 110 2HH1 ARG 110 -3.586 -7.022 17.610 874 HH22 ARG 110 1HH1 ARG 110 -2.346 -6.618 18.874 875 H ASP 111 H ASP 111 -6.094 -0.375 19.759 876 HA ASP 111 HA ASP 111 -3.289 -1.038 20.447 877 HB2 ASP 111 1HB ASP 111 -3.450 0.692 22.080 878 HB3 ASP 111 2HB ASP 111 -4.116 1.204 20.568 879 H LYS 112 H LYS 112 -3.538 -0.889 23.153 880 HA LYS 112 HA LYS 112 -3.875 -3.816 23.940 881 HB2 LYS 112 1HB LYS 112 -1.646 -2.725 24.391 882 HB3 LYS 112 2HB LYS 112 -2.430 -1.552 25.452 883 HG2 LYS 112 1HG LYS 112 -3.197 -3.462 26.961 884 HG3 LYS 112 2HG LYS 112 -2.419 -4.625 25.877 885 HD2 LYS 112 1HD LYS 112 -0.178 -3.480 26.266 886 HD3 LYS 112 2HD LYS 112 -0.964 -2.312 27.339 887 HE2 LYS 112 1HE LYS 112 -1.688 -4.213 28.884 888 HE3 LYS 112 2HE LYS 112 -0.907 -5.385 27.813 889 HZ1 LYS 112 3HZ LYS 112 0.542 -3.114 29.199 890 HZ2 LYS 112 1HZ LYS 112 0.645 -4.692 29.647 891 HZ3 LYS 112 2HZ LYS 112 1.265 -4.198 28.208 892 H LYS 113 H LYS 113 -6.009 -3.062 23.511 893 HA LYS 113 HA LYS 113 -7.543 -1.291 25.034 894 HB2 LYS 113 1HB LYS 113 -8.404 -3.684 23.310 895 HB3 LYS 113 2HB LYS 113 -9.605 -2.646 24.005 896 HG2 LYS 113 1HG LYS 113 -7.359 -1.276 22.422 897 HG3 LYS 113 2HG LYS 113 -8.502 -2.252 21.552 898 HD2 LYS 113 1HD LYS 113 -9.260 0.029 21.479 899 HD3 LYS 113 2HD LYS 113 -10.424 -0.984 22.295 900 HE2 LYS 113 1HE LYS 113 -10.433 1.029 23.522 901 HE3 LYS 113 2HE LYS 113 -9.590 -0.102 24.565 902 HZ1 LYS 113 3HZ LYS 113 -8.262 1.998 22.827 903 HZ2 LYS 113 1HZ LYS 113 -8.315 1.998 24.490 904 HZ3 LYS 113 2HZ LYS 113 -7.375 0.926 23.594 905 H LYS 114 H LYS 114 -6.785 -1.916 27.151 906 HA LYS 114 HA LYS 114 -9.391 -2.630 28.504 907 HB2 LYS 114 1HB LYS 114 -7.947 -4.675 28.763 908 HB3 LYS 114 2HB LYS 114 -6.755 -3.761 29.667 909 HG2 LYS 114 1HG LYS 114 -9.739 -3.926 30.504 910 HG3 LYS 114 2HG LYS 114 -8.611 -5.203 30.899 911 HD2 LYS 114 1HD LYS 114 -7.226 -3.833 32.290 912 HD3 LYS 114 2HD LYS 114 -7.920 -2.325 31.778 913 HE2 LYS 114 1HE LYS 114 -9.489 -4.473 33.362 914 HE3 LYS 114 2HE LYS 114 -8.604 -3.131 34.083 915 HZ1 LYS 114 3HZ LYS 114 -10.065 -1.543 32.708 916 HZ2 LYS 114 1HZ LYS 114 -10.943 -2.821 32.194 917 HZ3 LYS 114 2HZ LYS 114 -10.938 -2.427 33.789 918 H GLN 115 H GLN 115 -9.802 -0.542 28.906 919 HA GLN 115 HA GLN 115 -7.949 0.955 30.796 920 HB2 GLN 115 1HB GLN 115 -8.450 3.030 29.673 921 HB3 GLN 115 2HB GLN 115 -7.714 1.837 28.629 922 HG2 GLN 115 1HG GLN 115 -10.029 1.360 27.592 923 HG3 GLN 115 2HG GLN 115 -10.710 2.659 28.542 924 HE21 GLN 115 1HE2 GLN 115 -10.099 4.840 27.959 925 HE22 GLN 115 2HE2 GLN 115 -9.282 5.136 26.339 926 H ARG 116 H ARG 116 -10.613 2.827 30.526 927 HA ARG 116 HA ARG 116 -12.360 1.428 32.424 928 HE ARG 116 HE ARG 116 -10.102 6.743 34.119 929 HB2 ARG 116 1HB ARG 116 -12.232 2.734 34.364 930 HB3 ARG 116 2HB ARG 116 -10.652 2.095 34.007 931 HG2 ARG 116 1HG ARG 116 -9.906 4.150 34.559 932 HG3 ARG 116 2HG ARG 116 -10.271 4.577 32.888 933 HD2 ARG 116 1HD ARG 116 -12.619 5.365 33.697 934 HD3 ARG 116 2HD ARG 116 -12.116 4.988 35.351 935 HH11 ARG 116 2HH2 ARG 116 -13.426 6.923 35.404 936 HH12 ARG 116 1HH2 ARG 116 -13.203 8.727 35.646 937 HH21 ARG 116 2HH1 ARG 116 -9.986 8.766 34.478 938 HH22 ARG 116 1HH1 ARG 116 -11.394 9.684 35.174 939 H GLY 117 H GLY 117 -14.131 1.853 31.361 940 HA2 GLY 117 1HA GLY 117 -14.952 4.264 29.977 941 HA3 GLY 117 2HA GLY 117 -16.078 3.070 30.598 942 H ARG 118 H ARG 118 -16.076 3.210 33.094 943 HA ARG 118 HA ARG 118 -16.421 6.071 34.078 944 HE ARG 118 HE ARG 118 -20.282 3.335 34.578 945 HB2 ARG 118 1HB ARG 118 -17.735 5.388 35.927 946 HB3 ARG 118 2HB ARG 118 -18.516 4.974 34.417 947 HG2 ARG 118 1HG ARG 118 -17.850 2.522 34.753 948 HG3 ARG 118 2HG ARG 118 -17.008 2.968 36.221 949 HD2 ARG 118 1HD ARG 118 -19.096 2.064 36.923 950 HD3 ARG 118 2HD ARG 118 -19.183 3.812 37.238 951 HH11 ARG 118 2HH2 ARG 118 -21.131 2.695 37.886 952 HH12 ARG 118 1HH2 ARG 118 -22.922 2.708 37.514 953 HH21 ARG 118 2HH1 ARG 118 -22.319 3.327 34.181 954 HH22 ARG 118 1HH1 ARG 118 -23.540 3.053 35.500 Start of MODEL 14 1 HA MET 1 HA MET 1 0.642 -17.761 9.313 2 H1 MET 1 1H MET 1 -1.672 -17.834 10.070 3 H2 MET 1 2H MET 1 -1.743 -16.205 10.283 4 H3 MET 1 3H MET 1 -1.575 -16.823 8.771 5 HB2 MET 1 1HB MET 1 0.300 -14.707 9.609 6 HB3 MET 1 2HB MET 1 1.862 -15.504 9.546 7 HG2 MET 1 1HG MET 1 1.412 -16.440 7.290 8 HG3 MET 1 2HG MET 1 -0.224 -15.745 7.273 9 HE1 MET 1 3HE MET 1 2.421 -15.084 5.154 10 HE2 MET 1 1HE MET 1 0.654 -14.844 4.960 11 HE3 MET 1 2HE MET 1 1.772 -13.465 4.795 12 H ALA 2 H ALA 2 0.255 -15.249 11.904 13 HA ALA 2 HA ALA 2 1.310 -17.356 13.872 14 HB1 ALA 2 3HB ALA 2 3.101 -15.761 13.144 15 HB2 ALA 2 1HB ALA 2 2.110 -14.372 13.658 16 HB3 ALA 2 2HB ALA 2 2.706 -15.541 14.855 17 H GLY 3 H GLY 3 0.169 -17.561 15.646 18 HA2 GLY 3 1HA GLY 3 -2.192 -15.892 16.387 19 HA3 GLY 3 2HA GLY 3 -1.540 -17.205 17.343 20 H SER 4 H SER 4 0.848 -16.498 18.152 21 HA SER 4 HA SER 4 1.150 -13.600 18.775 22 HG SER 4 HG SER 4 -0.992 -14.013 19.706 23 HB2 SER 4 1HB SER 4 0.548 -15.476 21.149 24 HB3 SER 4 2HB SER 4 1.299 -13.885 21.311 25 H GLY 5 H GLY 5 2.946 -13.956 17.549 26 HA2 GLY 5 1HA GLY 5 5.541 -14.249 18.554 27 HA3 GLY 5 2HA GLY 5 5.063 -15.940 18.369 28 H ILE 6 H ILE 6 5.607 -12.947 16.618 29 HA ILE 6 HA ILE 6 5.058 -14.208 13.996 30 HB ILE 6 HB ILE 6 4.226 -12.044 14.458 31 HG12 ILE 6 1HG1 ILE 6 4.842 -10.829 12.374 32 HG13 ILE 6 2HG1 ILE 6 6.192 -11.911 12.082 33 HG21 ILE 6 1HG2 ILE 6 5.522 -9.992 14.569 34 HG22 ILE 6 2HG2 ILE 6 6.158 -11.114 15.786 35 HG23 ILE 6 3HG2 ILE 6 7.067 -10.845 14.288 36 HD11 ILE 6 3HD1 ILE 6 3.224 -12.798 12.192 37 HD12 ILE 6 1HD1 ILE 6 4.162 -12.493 10.712 38 HD13 ILE 6 2HD1 ILE 6 4.587 -13.842 11.774 39 H ILE 7 H ILE 7 6.727 -15.838 14.451 40 HA ILE 7 HA ILE 7 9.451 -15.131 13.386 41 HB ILE 7 HB ILE 7 9.220 -16.639 15.247 42 HG12 ILE 7 1HG1 ILE 7 10.760 -18.477 14.513 43 HG13 ILE 7 2HG1 ILE 7 10.489 -18.074 12.825 44 HG21 ILE 7 1HG2 ILE 7 7.140 -17.947 14.677 45 HG22 ILE 7 2HG2 ILE 7 8.017 -18.806 13.395 46 HG23 ILE 7 3HG2 ILE 7 8.505 -18.989 15.094 47 HD11 ILE 7 3HD1 ILE 7 12.641 -17.137 13.737 48 HD12 ILE 7 1HD1 ILE 7 11.595 -15.821 13.178 49 HD13 ILE 7 2HD1 ILE 7 11.749 -16.160 14.921 50 H TYR 8 H TYR 8 8.520 -14.228 11.489 51 HA TYR 8 HA TYR 8 8.165 -16.219 9.184 52 HD1 TYR 8 HD1 TYR 8 5.536 -16.041 11.672 53 HD2 TYR 8 HD2 TYR 8 5.269 -16.157 7.371 54 HE1 TYR 8 HE1 TYR 8 3.963 -17.916 11.813 55 HE2 TYR 8 HE2 TYR 8 3.713 -18.048 7.528 56 HH TYR 8 HH TYR 8 2.501 -19.177 10.656 57 HB2 TYR 8 1HB TYR 8 6.263 -13.983 10.101 58 HB3 TYR 8 2HB TYR 8 6.391 -14.320 8.408 59 H LYS 9 H LYS 9 9.909 -15.854 8.068 60 HA LYS 9 HA LYS 9 9.714 -13.405 6.363 61 HB2 LYS 9 1HB LYS 9 11.606 -12.986 8.103 62 HB3 LYS 9 2HB LYS 9 12.540 -14.238 7.323 63 HG2 LYS 9 1HG LYS 9 11.457 -11.624 6.063 64 HG3 LYS 9 2HG LYS 9 13.067 -11.832 6.700 65 HD2 LYS 9 1HD LYS 9 11.915 -13.261 4.220 66 HD3 LYS 9 2HD LYS 9 12.947 -11.839 4.229 67 HE2 LYS 9 1HE LYS 9 14.801 -13.231 5.382 68 HE3 LYS 9 2HE LYS 9 13.760 -14.653 5.252 69 HZ1 LYS 9 3HZ LYS 9 13.643 -14.176 2.741 70 HZ2 LYS 9 1HZ LYS 9 14.794 -13.026 2.921 71 HZ3 LYS 9 2HZ LYS 9 15.158 -14.602 3.242 72 H GLN 10 H GLN 10 8.617 -14.943 5.177 73 HA GLN 10 HA GLN 10 9.837 -17.600 4.601 74 HB2 GLN 10 1HB GLN 10 7.182 -16.294 3.745 75 HB3 GLN 10 2HB GLN 10 7.586 -17.964 3.404 76 HG2 GLN 10 1HG GLN 10 7.265 -16.712 6.188 77 HG3 GLN 10 2HG GLN 10 6.093 -17.700 5.347 78 HE21 GLN 10 1HE2 GLN 10 6.800 -18.377 7.845 79 HE22 GLN 10 2HE2 GLN 10 7.818 -19.910 7.774 80 HA PRO 11 HA PRO 11 11.160 -16.842 0.279 81 HB2 PRO 11 1HB PRO 11 11.167 -19.375 -0.814 82 HB3 PRO 11 2HB PRO 11 12.236 -18.899 0.523 83 HG2 PRO 11 1HG PRO 11 9.508 -20.329 0.762 84 HG3 PRO 11 2HG PRO 11 11.068 -20.886 1.427 85 HD2 PRO 11 1HD PRO 11 9.286 -19.438 2.987 86 HD3 PRO 11 2HD PRO 11 11.044 -19.178 3.158 87 H ILE 12 H ILE 12 8.921 -15.766 0.496 88 HA ILE 12 HA ILE 12 7.559 -16.050 -2.155 89 HB ILE 12 HB ILE 12 6.407 -17.785 -0.977 90 HG12 ILE 12 1HG1 ILE 12 4.380 -15.500 -1.377 91 HG13 ILE 12 2HG1 ILE 12 5.306 -16.146 -2.723 92 HG21 ILE 12 1HG2 ILE 12 5.153 -15.761 0.999 93 HG22 ILE 12 2HG2 ILE 12 4.913 -17.521 0.927 94 HG23 ILE 12 3HG2 ILE 12 6.490 -16.851 1.395 95 HD11 ILE 12 3HD1 ILE 12 3.447 -17.866 -0.959 96 HD12 ILE 12 1HD1 ILE 12 3.135 -17.302 -2.615 97 HD13 ILE 12 2HD1 ILE 12 4.454 -18.456 -2.308 98 H TYR 13 H TYR 13 8.293 -14.034 -2.482 99 HA TYR 13 HA TYR 13 8.010 -11.927 -0.429 100 HD1 TYR 13 HD2 TYR 13 10.164 -10.780 0.426 101 HD2 TYR 13 HD1 TYR 13 10.937 -13.820 -2.526 102 HE1 TYR 13 HE2 TYR 13 11.406 -12.082 2.081 103 HE2 TYR 13 HE1 TYR 13 12.215 -15.091 -0.868 104 HH TYR 13 HH TYR 13 11.468 -14.970 1.952 105 HB2 TYR 13 1HB TYR 13 9.464 -11.880 -3.129 106 HB3 TYR 13 2HB TYR 13 9.395 -10.503 -2.041 107 H GLN 14 H GLN 14 5.786 -12.036 -0.449 108 HA GLN 14 HA GLN 14 3.979 -10.663 -2.058 109 HB2 GLN 14 1HB GLN 14 2.706 -10.181 0.094 110 HB3 GLN 14 2HB GLN 14 3.118 -11.818 -0.348 111 HG2 GLN 14 1HG GLN 14 3.166 -11.337 2.070 112 HG3 GLN 14 2HG GLN 14 4.502 -12.228 1.426 113 HE21 GLN 14 1HE2 GLN 14 6.516 -11.514 1.899 114 HE22 GLN 14 2HE2 GLN 14 6.832 -9.978 2.841 115 H GLY 15 H GLY 15 6.063 -8.927 0.188 116 HA2 GLY 15 1HA GLY 15 4.489 -6.482 0.183 117 HA3 GLY 15 2HA GLY 15 6.127 -6.596 0.781 118 H ASN 16 H ASN 16 4.276 -6.037 -2.099 119 HA ASN 16 HA ASN 16 6.570 -4.480 -3.349 120 HB2 ASN 16 1HB ASN 16 4.154 -5.887 -4.673 121 HB3 ASN 16 2HB ASN 16 5.349 -4.940 -5.527 122 HD21 ASN 16 1HD2 ASN 16 4.900 -7.945 -3.795 123 HD22 ASN 16 2HD2 ASN 16 6.435 -8.683 -4.453 124 H LEU 17 H LEU 17 2.994 -4.230 -3.100 125 HA LEU 17 HA LEU 17 3.224 -1.292 -3.967 126 HG LEU 17 HG LEU 17 2.497 -3.769 -5.852 127 HB2 LEU 17 1HB LEU 17 0.793 -3.170 -4.083 128 HB3 LEU 17 2HB LEU 17 0.817 -1.494 -4.607 129 HD11 LEU 17 1HD1 LEU 17 0.874 -3.600 -7.749 130 HD12 LEU 17 2HD1 LEU 17 0.032 -4.023 -6.249 131 HD13 LEU 17 3HD1 LEU 17 -0.055 -2.364 -6.879 132 HD21 LEU 17 3HD2 LEU 17 2.911 -2.138 -7.727 133 HD22 LEU 17 1HD2 LEU 17 2.127 -0.841 -6.797 134 HD23 LEU 17 2HD2 LEU 17 3.640 -1.580 -6.217 135 H ILE 18 H ILE 18 0.368 -2.506 -2.066 136 HA ILE 18 HA ILE 18 1.319 -0.766 0.236 137 HB ILE 18 HB ILE 18 -1.331 -2.217 -0.253 138 HG12 ILE 18 1HG1 ILE 18 -1.255 -0.399 -1.768 139 HG13 ILE 18 2HG1 ILE 18 -2.324 0.025 -0.466 140 HG21 ILE 18 1HG2 ILE 18 -0.900 -2.030 2.206 141 HG22 ILE 18 2HG2 ILE 18 -0.603 -0.284 2.061 142 HG23 ILE 18 3HG2 ILE 18 -2.208 -0.970 1.708 143 HD11 ILE 18 3HD1 ILE 18 0.513 1.118 -1.001 144 HD12 ILE 18 1HD1 ILE 18 -1.010 2.019 -1.063 145 HD13 ILE 18 2HD1 ILE 18 -0.346 1.519 0.501 146 H LYS 19 H LYS 19 3.050 -2.001 0.732 147 HA LYS 19 HA LYS 19 2.558 -4.497 2.440 148 HB2 LYS 19 1HB LYS 19 4.611 -4.372 1.118 149 HB3 LYS 19 2HB LYS 19 5.042 -2.808 1.782 150 HG2 LYS 19 1HG LYS 19 6.443 -4.433 2.775 151 HG3 LYS 19 2HG LYS 19 5.408 -3.742 4.017 152 HD2 LYS 19 1HD LYS 19 3.920 -5.708 4.015 153 HD3 LYS 19 2HD LYS 19 4.819 -6.486 2.723 154 HE2 LYS 19 1HE LYS 19 6.882 -6.641 4.176 155 HE3 LYS 19 2HE LYS 19 6.082 -5.701 5.454 156 HZ1 LYS 19 3HZ LYS 19 4.953 -8.297 4.408 157 HZ2 LYS 19 1HZ LYS 19 5.741 -8.194 5.867 158 HZ3 LYS 19 2HZ LYS 19 4.318 -7.363 5.637 159 H GLN 20 H GLN 20 1.019 -3.583 3.830 160 HA GLN 20 HA GLN 20 0.986 -0.871 4.670 161 HB2 GLN 20 1HB GLN 20 -0.931 -2.550 4.578 162 HB3 GLN 20 2HB GLN 20 -0.446 -3.139 6.165 163 HG2 GLN 20 1HG GLN 20 -0.815 -0.767 7.104 164 HG3 GLN 20 2HG GLN 20 -1.196 -0.197 5.492 165 HE21 GLN 20 1HE2 GLN 20 -2.358 -2.311 8.076 166 HE22 GLN 20 2HE2 GLN 20 -4.102 -2.221 7.488 167 H ASN 21 H ASN 21 2.260 -3.528 6.720 168 HA ASN 21 HA ASN 21 3.081 -1.637 8.852 169 HB2 ASN 21 1HB ASN 21 2.733 -4.231 9.000 170 HB3 ASN 21 2HB ASN 21 4.340 -4.397 8.337 171 HD21 ASN 21 1HD2 ASN 21 2.491 -3.048 11.005 172 HD22 ASN 21 2HD2 ASN 21 3.906 -2.882 12.158 173 H ALA 22 H ALA 22 4.667 -2.374 5.859 174 HA ALA 22 HA ALA 22 7.191 -0.858 6.574 175 HB1 ALA 22 3HB ALA 22 6.207 -1.606 3.759 176 HB2 ALA 22 1HB ALA 22 7.780 -0.926 4.206 177 HB3 ALA 22 2HB ALA 22 7.355 -2.556 4.748 178 H VAL 23 H VAL 23 3.981 -0.116 5.147 179 HA VAL 23 HA VAL 23 4.582 2.722 4.687 180 HB VAL 23 HB VAL 23 1.784 1.640 5.292 181 HG11 VAL 23 1HG1 VAL 23 1.152 3.652 3.778 182 HG12 VAL 23 2HG1 VAL 23 1.894 4.119 5.339 183 HG13 VAL 23 3HG1 VAL 23 2.842 4.176 3.831 184 HG21 VAL 23 3HG2 VAL 23 1.523 1.578 2.734 185 HG22 VAL 23 1HG2 VAL 23 3.307 1.711 2.606 186 HG23 VAL 23 2HG2 VAL 23 2.569 0.317 3.379 187 H GLU 24 H GLU 24 3.403 1.066 7.594 188 HA GLU 24 HA GLU 24 3.469 3.409 9.375 189 HB2 GLU 24 1HB GLU 24 2.338 1.330 9.948 190 HB3 GLU 24 2HB GLU 24 3.803 0.376 9.844 191 HG2 GLU 24 1HG GLU 24 3.432 2.576 11.979 192 HG3 GLU 24 2HG GLU 24 2.840 0.938 12.166 193 H GLN 25 H GLN 25 5.976 0.957 8.741 194 HA GLN 25 HA GLN 25 8.009 2.318 10.367 195 HB2 GLN 25 1HB GLN 25 7.780 -0.125 9.966 196 HB3 GLN 25 2HB GLN 25 8.309 0.040 8.313 197 HG2 GLN 25 1HG GLN 25 10.190 1.104 10.511 198 HG3 GLN 25 2HG GLN 25 9.893 -0.609 10.472 199 HE21 GLN 25 1HE2 GLN 25 11.068 2.000 8.404 200 HE22 GLN 25 2HE2 GLN 25 12.144 0.853 7.441 201 H LEU 26 H LEU 26 7.402 2.680 6.869 202 HA LEU 26 HA LEU 26 9.831 4.085 6.255 203 HG LEU 26 HG LEU 26 6.126 4.215 5.336 204 HB2 LEU 26 1HB LEU 26 8.932 4.891 4.276 205 HB3 LEU 26 2HB LEU 26 8.445 3.250 4.584 206 HD11 LEU 26 1HD1 LEU 26 7.043 6.581 3.561 207 HD12 LEU 26 2HD1 LEU 26 5.394 6.305 4.202 208 HD13 LEU 26 3HD1 LEU 26 6.712 6.714 5.283 209 HD21 LEU 26 3HD2 LEU 26 7.098 4.281 2.394 210 HD22 LEU 26 1HD2 LEU 26 6.439 2.866 3.270 211 HD23 LEU 26 2HD2 LEU 26 5.390 4.230 2.890 212 H GLN 27 H GLN 27 6.927 5.431 7.658 213 HA GLN 27 HA GLN 27 6.336 7.727 7.803 214 HB2 GLN 27 1HB GLN 27 7.169 6.340 10.035 215 HB3 GLN 27 2HB GLN 27 8.067 7.814 10.214 216 HG2 GLN 27 1HG GLN 27 6.000 8.037 11.404 217 HG3 GLN 27 2HG GLN 27 5.978 9.176 10.079 218 HE21 GLN 27 1HE2 GLN 27 4.988 5.678 10.341 219 HE22 GLN 27 2HE2 GLN 27 3.312 6.092 9.728 220 H VAL 28 H VAL 28 7.447 8.324 5.899 221 HA VAL 28 HA VAL 28 9.922 9.895 6.016 222 HB VAL 28 HB VAL 28 7.889 9.440 3.732 223 HG11 VAL 28 1HG1 VAL 28 9.180 11.472 3.107 224 HG12 VAL 28 2HG1 VAL 28 10.723 10.681 3.520 225 HG13 VAL 28 3HG1 VAL 28 9.737 10.109 2.147 226 HG21 VAL 28 3HG2 VAL 28 9.620 7.838 2.860 227 HG22 VAL 28 1HG2 VAL 28 10.669 8.152 4.267 228 HG23 VAL 28 2HG2 VAL 28 9.106 7.339 4.472 229 H GLY 29 H GLY 29 10.220 11.979 6.317 230 HA2 GLY 29 1HA GLY 29 8.032 14.054 5.640 231 HA3 GLY 29 2HA GLY 29 9.075 14.260 7.029 232 H GLN 30 H GLN 30 9.773 13.204 3.749 233 HA GLN 30 HA GLN 30 11.749 15.506 3.372 234 HB2 GLN 30 1HB GLN 30 12.720 13.363 4.327 235 HB3 GLN 30 2HB GLN 30 12.251 12.499 2.876 236 HG2 GLN 30 1HG GLN 30 14.600 13.007 2.774 237 HG3 GLN 30 2HG GLN 30 13.815 13.880 1.485 238 HE21 GLN 30 1HE2 GLN 30 13.717 16.215 1.681 239 HE22 GLN 30 2HE2 GLN 30 14.850 17.044 2.876 240 H SER 31 H SER 31 9.995 12.999 1.427 241 HA SER 31 HA SER 31 10.052 14.843 -0.939 242 HG SER 31 HG SER 31 10.923 14.097 -3.080 243 HB2 SER 31 1HB SER 31 12.314 13.846 -1.086 244 HB3 SER 31 2HB SER 31 11.661 12.206 -0.983 245 H LYS 32 H LYS 32 8.722 14.323 -2.570 246 HA LYS 32 HA LYS 32 6.528 12.354 -2.096 247 HB2 LYS 32 1HB LYS 32 5.402 13.108 -3.986 248 HB3 LYS 32 2HB LYS 32 6.008 14.492 -3.105 249 HG2 LYS 32 1HG LYS 32 7.913 14.668 -4.860 250 HG3 LYS 32 2HG LYS 32 7.175 13.354 -5.729 251 HD2 LYS 32 1HD LYS 32 6.478 15.368 -6.813 252 HD3 LYS 32 2HD LYS 32 5.081 14.612 -6.087 253 HE2 LYS 32 1HE LYS 32 4.814 16.947 -5.762 254 HE3 LYS 32 2HE LYS 32 5.133 16.287 -4.175 255 HZ1 LYS 32 3HZ LYS 32 6.654 18.058 -4.179 256 HZ2 LYS 32 1HZ LYS 32 7.722 16.979 -4.887 257 HZ3 LYS 32 2HZ LYS 32 6.877 18.051 -5.803 258 H GLN 33 H GLN 33 9.312 12.433 -4.214 259 HA GLN 33 HA GLN 33 8.672 9.946 -5.676 260 HB2 GLN 33 1HB GLN 33 10.092 11.781 -6.511 261 HB3 GLN 33 2HB GLN 33 11.318 11.480 -5.281 262 HG2 GLN 33 1HG GLN 33 11.947 9.347 -6.244 263 HG3 GLN 33 2HG GLN 33 10.483 9.230 -7.200 264 HE21 GLN 33 1HE2 GLN 33 13.720 10.309 -7.294 265 HE22 GLN 33 2HE2 GLN 33 13.562 11.128 -8.936 266 H GLN 34 H GLN 34 10.484 10.473 -2.727 267 HA GLN 34 HA GLN 34 11.481 7.671 -2.438 268 HB2 GLN 34 1HB GLN 34 11.051 9.844 -0.291 269 HB3 GLN 34 2HB GLN 34 11.745 8.267 0.041 270 HG2 GLN 34 1HG GLN 34 12.991 10.345 -1.882 271 HG3 GLN 34 2HG GLN 34 13.419 10.109 -0.206 272 HE21 GLN 34 1HE2 GLN 34 13.931 8.923 -3.391 273 HE22 GLN 34 2HE2 GLN 34 15.108 7.608 -2.854 274 H VAL 35 H VAL 35 8.593 9.292 -1.011 275 HA VAL 35 HA VAL 35 7.563 6.707 0.047 276 HB VAL 35 HB VAL 35 7.110 8.883 1.135 277 HG11 VAL 35 1HG1 VAL 35 6.451 10.305 -0.864 278 HG12 VAL 35 2HG1 VAL 35 4.953 9.384 -1.026 279 HG13 VAL 35 3HG1 VAL 35 5.259 10.339 0.445 280 HG21 VAL 35 3HG2 VAL 35 5.763 6.796 1.627 281 HG22 VAL 35 1HG2 VAL 35 4.862 8.298 1.917 282 HG23 VAL 35 2HG2 VAL 35 4.541 7.326 0.462 283 H SER 36 H SER 36 6.903 8.502 -2.966 284 HA SER 36 HA SER 36 4.896 6.528 -3.886 285 HG SER 36 HG SER 36 6.408 7.567 -6.895 286 HB2 SER 36 1HB SER 36 4.618 7.769 -5.760 287 HB3 SER 36 2HB SER 36 5.313 9.021 -4.749 288 H ALA 37 H ALA 37 8.415 6.660 -4.417 289 HA ALA 37 HA ALA 37 8.523 4.246 -6.111 290 HB1 ALA 37 3HB ALA 37 10.971 4.250 -5.511 291 HB2 ALA 37 1HB ALA 37 10.406 5.867 -5.966 292 HB3 ALA 37 2HB ALA 37 10.669 5.473 -4.251 293 H LEU 38 H LEU 38 8.758 4.568 -2.561 294 HA LEU 38 HA LEU 38 8.984 1.634 -2.055 295 HG LEU 38 HG LEU 38 10.204 1.635 0.115 296 HB2 LEU 38 1HB LEU 38 8.346 4.078 -0.305 297 HB3 LEU 38 2HB LEU 38 7.898 2.500 0.294 298 HD11 LEU 38 1HD1 LEU 38 11.196 3.165 -1.650 299 HD12 LEU 38 2HD1 LEU 38 11.047 4.545 -0.545 300 HD13 LEU 38 3HD1 LEU 38 12.134 3.198 -0.152 301 HD21 LEU 38 3HD2 LEU 38 11.041 2.937 2.100 302 HD22 LEU 38 1HD2 LEU 38 9.865 4.232 1.768 303 HD23 LEU 38 2HD2 LEU 38 9.306 2.608 2.243 304 H LEU 39 H LEU 39 6.125 3.772 -2.074 305 HA LEU 39 HA LEU 39 4.186 1.516 -1.800 306 HG LEU 39 HG LEU 39 4.421 4.051 -0.230 307 HB2 LEU 39 1HB LEU 39 3.978 4.438 -2.761 308 HB3 LEU 39 2HB LEU 39 2.564 3.422 -2.615 309 HD11 LEU 39 1HD1 LEU 39 3.344 6.129 -1.050 310 HD12 LEU 39 2HD1 LEU 39 1.738 5.352 -1.054 311 HD13 LEU 39 3HD1 LEU 39 2.590 5.602 0.477 312 HD21 LEU 39 3HD2 LEU 39 1.532 2.971 -0.196 313 HD22 LEU 39 1HD2 LEU 39 2.949 1.911 -0.010 314 HD23 LEU 39 2HD2 LEU 39 2.633 3.176 1.175 315 H GLY 40 H GLY 40 5.652 2.914 -4.569 316 HA2 GLY 40 1HA GLY 40 5.978 1.545 -6.666 317 HA3 GLY 40 2HA GLY 40 4.522 0.647 -6.308 318 H THR 41 H THR 41 5.427 4.062 -6.854 319 HA THR 41 HA THR 41 3.526 4.366 -9.175 320 HB THR 41 HB THR 41 3.120 5.827 -6.476 321 HG1 THR 41 HG1 THR 41 2.284 3.545 -7.441 322 HG21 THR 41 3HG2 THR 41 1.412 6.095 -9.050 323 HG22 THR 41 1HG2 THR 41 1.058 6.795 -7.472 324 HG23 THR 41 2HG2 THR 41 2.457 7.372 -8.381 325 HA PRO 42 HA PRO 42 6.922 7.311 -10.059 326 HB2 PRO 42 1HB PRO 42 5.907 8.679 -12.274 327 HB3 PRO 42 2HB PRO 42 6.446 6.986 -12.305 328 HG2 PRO 42 1HG PRO 42 3.561 8.003 -11.906 329 HG3 PRO 42 2HG PRO 42 4.125 6.825 -13.123 330 HD2 PRO 42 1HD PRO 42 3.036 5.974 -10.744 331 HD3 PRO 42 2HD PRO 42 4.446 5.097 -11.418 332 H SER 43 H SER 43 7.436 9.616 -10.146 333 HA SER 43 HA SER 43 5.995 11.121 -8.028 334 HG SER 43 HG SER 43 9.800 11.497 -9.425 335 HB2 SER 43 1HB SER 43 8.015 12.551 -8.052 336 HB3 SER 43 2HB SER 43 8.415 10.839 -7.894 337 H ILE 44 H ILE 44 5.366 13.125 -8.279 338 HA ILE 44 HA ILE 44 4.525 14.103 -11.068 339 HB ILE 44 HB ILE 44 2.561 15.219 -10.121 340 HG12 ILE 44 1HG1 ILE 44 2.772 13.360 -7.670 341 HG13 ILE 44 2HG1 ILE 44 3.270 15.044 -7.614 342 HG21 ILE 44 1HG2 ILE 44 1.145 13.183 -10.216 343 HG22 ILE 44 2HG2 ILE 44 2.441 13.073 -11.413 344 HG23 ILE 44 3HG2 ILE 44 2.548 12.133 -9.900 345 HD11 ILE 44 3HD1 ILE 44 0.410 14.109 -8.256 346 HD12 ILE 44 1HD1 ILE 44 1.013 14.954 -6.809 347 HD13 ILE 44 2HD1 ILE 44 0.977 15.799 -8.368 348 HA PRO 45 HA PRO 45 6.793 17.855 -9.570 349 HB2 PRO 45 1HB PRO 45 8.388 18.312 -11.753 350 HB3 PRO 45 2HB PRO 45 8.730 17.042 -10.554 351 HG2 PRO 45 1HG PRO 45 7.327 16.704 -13.276 352 HG3 PRO 45 2HG PRO 45 8.706 15.760 -12.651 353 HD2 PRO 45 1HD PRO 45 6.052 14.893 -12.425 354 HD3 PRO 45 2HD PRO 45 7.263 14.471 -11.189 355 H ASP 46 H ASP 46 4.507 18.534 -9.686 356 HA ASP 46 HA ASP 46 3.212 19.590 -11.928 357 HB2 ASP 46 1HB ASP 46 2.732 20.971 -9.263 358 HB3 ASP 46 2HB ASP 46 1.653 20.728 -10.602 359 HA PRO 47 HA PRO 47 5.873 23.301 -12.620 360 HB2 PRO 47 1HB PRO 47 4.851 24.184 -15.057 361 HB3 PRO 47 2HB PRO 47 5.849 22.727 -14.864 362 HG2 PRO 47 1HG PRO 47 2.767 22.852 -14.937 363 HG3 PRO 47 2HG PRO 47 3.825 21.837 -15.952 364 HD2 PRO 47 1HD PRO 47 2.677 20.831 -13.651 365 HD3 PRO 47 2HD PRO 47 4.353 20.358 -14.077 366 H PHE 48 H PHE 48 2.622 23.458 -11.868 367 HA PHE 48 HA PHE 48 2.557 26.486 -11.496 368 HD1 PHE 48 HD1 PHE 48 -0.006 27.700 -12.040 369 HD2 PHE 48 HD2 PHE 48 -0.103 25.378 -8.410 370 HE1 PHE 48 HE1 PHE 48 -1.267 29.493 -10.915 371 HE2 PHE 48 HE2 PHE 48 -1.360 27.179 -7.300 372 HZ PHE 48 HZ PHE 48 -1.945 29.241 -8.545 373 HB2 PHE 48 1HB PHE 48 0.479 25.185 -12.051 374 HB3 PHE 48 2HB PHE 48 0.583 24.304 -10.550 375 H HIS 49 H HIS 49 2.323 23.729 -9.202 376 HA HIS 49 HA HIS 49 4.661 24.675 -7.658 377 HD1 HIS 49 HD1 HIS 49 5.290 23.769 -5.034 378 HD2 HIS 49 HD2 HIS 49 2.823 27.215 -4.388 379 HE1 HIS 49 HE1 HIS 49 5.883 24.893 -2.816 380 HB2 HIS 49 1HB HIS 49 2.679 26.128 -6.797 381 HB3 HIS 49 2HB HIS 49 1.999 24.673 -6.091 382 H ALA 50 H ALA 50 5.548 22.646 -7.741 383 HA ALA 50 HA ALA 50 4.240 20.185 -7.892 384 HB1 ALA 50 3HB ALA 50 6.542 20.701 -8.599 385 HB2 ALA 50 1HB ALA 50 7.098 20.734 -6.901 386 HB3 ALA 50 2HB ALA 50 6.481 19.232 -7.632 387 H GLN 51 H GLN 51 2.703 19.672 -6.420 388 HA GLN 51 HA GLN 51 3.443 19.320 -3.451 389 HB2 GLN 51 1HB GLN 51 1.240 20.994 -4.794 390 HB3 GLN 51 2HB GLN 51 1.133 20.506 -3.102 391 HG2 GLN 51 1HG GLN 51 3.418 21.558 -2.661 392 HG3 GLN 51 2HG GLN 51 3.361 22.244 -4.275 393 HE21 GLN 51 1HE2 GLN 51 3.105 23.300 -1.394 394 HE22 GLN 51 2HE2 GLN 51 1.741 24.516 -1.633 395 H ARG 52 H ARG 52 0.434 18.944 -3.329 396 HA ARG 52 HA ARG 52 0.668 16.341 -2.394 397 HE ARG 52 HE ARG 52 -4.463 19.320 -4.920 398 HB2 ARG 52 1HB ARG 52 -1.559 16.382 -1.768 399 HB3 ARG 52 2HB ARG 52 -1.046 18.044 -1.750 400 HG2 ARG 52 1HG ARG 52 -2.864 16.556 -3.704 401 HG3 ARG 52 2HG ARG 52 -3.353 17.722 -2.515 402 HD2 ARG 52 1HD ARG 52 -2.322 19.601 -3.822 403 HD3 ARG 52 2HD ARG 52 -1.593 18.496 -4.970 404 HH11 ARG 52 2HH2 ARG 52 -2.324 16.756 -6.032 405 HH12 ARG 52 1HH2 ARG 52 -3.778 15.945 -6.838 406 HH21 ARG 52 2HH1 ARG 52 -5.935 18.418 -6.098 407 HH22 ARG 52 1HH1 ARG 52 -5.541 16.886 -7.013 408 H TRP 53 H TRP 53 -0.117 14.330 -2.871 409 HA TRP 53 HA TRP 53 -0.572 13.559 -5.816 410 HD1 TRP 53 HD1 TRP 53 -1.148 10.814 -6.558 411 HE1 TRP 53 HE1 TRP 53 -1.096 8.196 -6.431 412 HE3 TRP 53 HE3 TRP 53 2.644 10.432 -3.102 413 HZ2 TRP 53 HZ2 TRP 53 0.489 6.323 -5.000 414 HZ3 TRP 53 HZ3 TRP 53 3.337 8.169 -2.365 415 HH2 TRP 53 HH2 TRP 53 2.279 6.160 -3.280 416 HB2 TRP 53 1HB TRP 53 1.577 12.689 -5.181 417 HB3 TRP 53 2HB TRP 53 1.002 12.201 -3.589 418 H ASP 54 H ASP 54 -2.786 13.785 -5.660 419 HA ASP 54 HA ASP 54 -4.180 12.822 -3.262 420 HB2 ASP 54 1HB ASP 54 -6.052 14.040 -3.915 421 HB3 ASP 54 2HB ASP 54 -4.636 15.013 -4.175 422 H TYR 55 H TYR 55 -3.433 10.999 -5.683 423 HA TYR 55 HA TYR 55 -6.007 10.298 -6.746 424 HD1 TYR 55 HD2 TYR 55 -5.106 12.114 -8.069 425 HD2 TYR 55 HD1 TYR 55 -1.854 9.412 -8.950 426 HE1 TYR 55 HE2 TYR 55 -3.921 13.904 -9.234 427 HE2 TYR 55 HE1 TYR 55 -0.663 11.231 -10.051 428 HH TYR 55 HH TYR 55 -1.993 14.516 -10.238 429 HB2 TYR 55 1HB TYR 55 -3.434 8.738 -7.324 430 HB3 TYR 55 2HB TYR 55 -4.847 8.870 -8.357 431 H THR 56 H THR 56 -7.275 8.609 -6.746 432 HA THR 56 HA THR 56 -6.689 6.140 -5.057 433 HB THR 56 HB THR 56 -9.264 7.004 -6.394 434 HG1 THR 56 HG1 THR 56 -9.229 7.728 -4.477 435 HG21 THR 56 3HG2 THR 56 -9.361 4.596 -6.778 436 HG22 THR 56 1HG2 THR 56 -8.582 4.232 -5.230 437 HG23 THR 56 2HG2 THR 56 -10.224 4.892 -5.256 438 H SER 57 H SER 57 -5.792 4.439 -5.932 439 HA SER 57 HA SER 57 -5.978 3.816 -8.922 440 HG SER 57 HG SER 57 -3.760 4.480 -7.214 441 HB2 SER 57 1HB SER 57 -4.496 2.283 -6.700 442 HB3 SER 57 2HB SER 57 -4.385 2.001 -8.442 443 H THR 58 H THR 58 -7.514 2.390 -9.481 444 HA THR 58 HA THR 58 -8.465 0.279 -7.685 445 HB THR 58 HB THR 58 -9.856 2.030 -6.773 446 HG1 THR 58 HG1 THR 58 -11.157 -0.063 -8.171 447 HG21 THR 58 3HG2 THR 58 -10.563 3.423 -8.713 448 HG22 THR 58 1HG2 THR 58 -11.399 2.042 -9.457 449 HG23 THR 58 2HG2 THR 58 -11.956 2.683 -7.900 450 H GLN 59 H GLN 59 -9.105 -1.419 -8.671 451 HA GLN 59 HA GLN 59 -8.811 -2.952 -10.438 452 HB2 GLN 59 1HB GLN 59 -11.314 -2.304 -10.235 453 HB3 GLN 59 2HB GLN 59 -11.153 -1.625 -11.831 454 HG2 GLN 59 1HG GLN 59 -10.562 -4.538 -10.934 455 HG3 GLN 59 2HG GLN 59 -12.044 -3.996 -11.654 456 HE21 GLN 59 1HE2 GLN 59 -12.016 -3.435 -13.939 457 HE22 GLN 59 2HE2 GLN 59 -10.742 -4.254 -14.978 458 H ARG 60 H ARG 60 -9.639 -1.784 -13.156 459 HA ARG 60 HA ARG 60 -6.833 -0.697 -13.867 460 HE ARG 60 HE ARG 60 -6.145 -5.584 -14.883 461 HB2 ARG 60 1HB ARG 60 -8.821 -2.223 -15.662 462 HB3 ARG 60 2HB ARG 60 -7.382 -1.405 -16.269 463 HG2 ARG 60 1HG ARG 60 -5.932 -2.812 -14.699 464 HG3 ARG 60 2HG ARG 60 -7.384 -3.694 -14.225 465 HD2 ARG 60 1HD ARG 60 -7.739 -4.258 -16.756 466 HD3 ARG 60 2HD ARG 60 -6.161 -3.489 -17.053 467 HH11 ARG 60 2HH2 ARG 60 -5.751 -5.123 -18.321 468 HH12 ARG 60 1HH2 ARG 60 -5.162 -6.840 -18.550 469 HH21 ARG 60 2HH1 ARG 60 -5.407 -7.468 -15.168 470 HH22 ARG 60 1HH1 ARG 60 -4.930 -8.084 -16.815 471 H VAL 61 H VAL 61 -8.416 1.094 -12.794 472 HA VAL 61 HA VAL 61 -9.593 2.820 -14.879 473 HB VAL 61 HB VAL 61 -10.374 2.722 -12.519 474 HG11 VAL 61 1HG1 VAL 61 -8.159 4.761 -11.831 475 HG12 VAL 61 2HG1 VAL 61 -9.481 4.199 -10.788 476 HG13 VAL 61 3HG1 VAL 61 -8.187 3.084 -11.261 477 HG21 VAL 61 3HG2 VAL 61 -11.125 5.085 -12.481 478 HG22 VAL 61 1HG2 VAL 61 -9.878 5.544 -13.669 479 HG23 VAL 61 2HG2 VAL 61 -11.179 4.417 -14.124 480 H ASP 62 H ASP 62 -6.623 3.254 -13.020 481 HA ASP 62 HA ASP 62 -5.529 5.155 -15.160 482 HB2 ASP 62 1HB ASP 62 -5.800 5.717 -12.607 483 HB3 ASP 62 2HB ASP 62 -4.563 4.532 -12.274 484 H ARG 63 H ARG 63 -5.512 2.177 -15.194 485 HA ARG 63 HA ARG 63 -2.526 1.519 -15.584 486 HE ARG 63 HE ARG 63 -1.965 4.214 -12.738 487 HB2 ARG 63 1HB ARG 63 -4.329 -0.043 -13.629 488 HB3 ARG 63 2HB ARG 63 -2.639 -0.342 -13.959 489 HG2 ARG 63 1HG ARG 63 -3.854 2.049 -12.481 490 HG3 ARG 63 2HG ARG 63 -3.084 0.672 -11.754 491 HD2 ARG 63 1HD ARG 63 -0.896 1.427 -12.135 492 HD3 ARG 63 2HD ARG 63 -1.274 2.113 -13.696 493 HH11 ARG 63 2HH2 ARG 63 -1.571 1.891 -10.065 494 HH12 ARG 63 1HH2 ARG 63 -2.092 3.239 -8.934 495 HH21 ARG 63 2HH1 ARG 63 -2.334 5.561 -11.413 496 HH22 ARG 63 1HH1 ARG 63 -2.287 5.230 -9.582 497 H LEU 64 H LEU 64 -2.733 0.809 -17.689 498 HA LEU 64 HA LEU 64 -4.995 -0.744 -18.596 499 HG LEU 64 HG LEU 64 -2.378 0.573 -21.549 500 HB2 LEU 64 1HB LEU 64 -4.169 -0.729 -20.766 501 HB3 LEU 64 2HB LEU 64 -4.074 0.824 -20.001 502 HD11 LEU 64 1HD1 LEU 64 -0.399 1.251 -20.361 503 HD12 LEU 64 2HD1 LEU 64 -1.793 1.907 -19.497 504 HD13 LEU 64 3HD1 LEU 64 -0.916 0.499 -18.840 505 HD21 LEU 64 3HD2 LEU 64 -2.076 -1.950 -21.523 506 HD22 LEU 64 1HD2 LEU 64 -0.580 -1.007 -21.629 507 HD23 LEU 64 2HD2 LEU 64 -1.024 -1.772 -20.101 508 H ALA 65 H ALA 65 -1.753 -2.052 -17.918 509 HA ALA 65 HA ALA 65 -3.056 -4.849 -17.976 510 HB1 ALA 65 3HB ALA 65 -1.498 -4.539 -19.889 511 HB2 ALA 65 1HB ALA 65 -0.169 -4.111 -18.778 512 HB3 ALA 65 2HB ALA 65 -0.876 -5.736 -18.736 513 H ARG 66 H ARG 66 -3.434 -3.702 -15.728 514 HA ARG 66 HA ARG 66 -1.747 -4.894 -13.588 515 HE ARG 66 HE ARG 66 -0.007 -0.595 -10.568 516 HB2 ARG 66 1HB ARG 66 -0.124 -3.296 -14.305 517 HB3 ARG 66 2HB ARG 66 -1.270 -1.982 -14.440 518 HG2 ARG 66 1HG ARG 66 -1.474 -1.793 -11.981 519 HG3 ARG 66 2HG ARG 66 -0.505 -3.246 -11.719 520 HD2 ARG 66 1HD ARG 66 1.512 -2.219 -12.676 521 HD3 ARG 66 2HD ARG 66 0.605 -0.800 -13.266 522 HH11 ARG 66 2HH2 ARG 66 3.046 -0.780 -12.249 523 HH12 ARG 66 1HH2 ARG 66 3.867 0.183 -10.926 524 HH21 ARG 66 2HH1 ARG 66 0.967 0.207 -9.036 525 HH22 ARG 66 1HH1 ARG 66 2.692 0.814 -9.200 526 H THR 67 H THR 67 -3.844 -5.562 -13.094 527 HA THR 67 HA THR 67 -5.955 -3.677 -12.153 528 HB THR 67 HB THR 67 -5.623 -6.702 -11.658 529 HG1 THR 67 HG1 THR 67 -7.739 -5.644 -13.056 530 HG21 THR 67 3HG2 THR 67 -8.108 -6.618 -11.101 531 HG22 THR 67 1HG2 THR 67 -7.139 -5.794 -9.868 532 HG23 THR 67 2HG2 THR 67 -8.010 -4.834 -11.084 533 H GLU 68 H GLU 68 -5.826 -2.478 -10.404 534 HA GLU 68 HA GLU 68 -4.126 -3.263 -7.972 535 HB2 GLU 68 1HB GLU 68 -2.691 -2.317 -9.757 536 HB3 GLU 68 2HB GLU 68 -3.726 -0.904 -9.929 537 HG2 GLU 68 1HG GLU 68 -3.099 -0.126 -7.614 538 HG3 GLU 68 2HG GLU 68 -2.152 -1.582 -7.352 539 H ILE 69 H ILE 69 -5.526 -2.909 -6.278 540 HA ILE 69 HA ILE 69 -7.036 -0.287 -6.175 541 HB ILE 69 HB ILE 69 -7.555 -2.636 -4.276 542 HG12 ILE 69 1HG1 ILE 69 -9.744 -2.909 -5.642 543 HG13 ILE 69 2HG1 ILE 69 -8.962 -2.084 -6.975 544 HG21 ILE 69 1HG2 ILE 69 -8.349 -0.292 -3.631 545 HG22 ILE 69 2HG2 ILE 69 -9.261 -0.183 -5.150 546 HG23 ILE 69 3HG2 ILE 69 -9.679 -1.409 -3.931 547 HD11 ILE 69 3HD1 ILE 69 -7.328 -4.018 -7.184 548 HD12 ILE 69 1HD1 ILE 69 -7.960 -4.721 -5.676 549 HD13 ILE 69 2HD1 ILE 69 -8.986 -4.618 -7.118 550 H LYS 70 H LYS 70 -6.144 1.264 -5.024 551 HA LYS 70 HA LYS 70 -5.083 0.924 -2.393 552 HB2 LYS 70 1HB LYS 70 -2.808 1.501 -2.428 553 HB3 LYS 70 2HB LYS 70 -3.096 0.010 -3.300 554 HG2 LYS 70 1HG LYS 70 -2.883 1.410 -5.502 555 HG3 LYS 70 2HG LYS 70 -2.343 2.753 -4.491 556 HD2 LYS 70 1HD LYS 70 -0.532 1.000 -3.540 557 HD3 LYS 70 2HD LYS 70 -1.104 -0.056 -4.814 558 HE2 LYS 70 1HE LYS 70 0.676 0.864 -5.939 559 HE3 LYS 70 2HE LYS 70 -0.570 1.966 -6.486 560 HZ1 LYS 70 3HZ LYS 70 1.600 2.384 -4.486 561 HZ2 LYS 70 1HZ LYS 70 1.115 3.444 -5.661 562 HZ3 LYS 70 2HZ LYS 70 0.226 3.292 -4.271 563 H ASN 71 H ASN 71 -6.062 2.547 -1.591 564 HA ASN 71 HA ASN 71 -6.610 5.035 -3.238 565 HB2 ASN 71 1HB ASN 71 -8.044 4.209 -0.687 566 HB3 ASN 71 2HB ASN 71 -8.524 5.411 -1.851 567 HD21 ASN 71 1HD2 ASN 71 -10.364 3.722 -1.130 568 HD22 ASN 71 2HD2 ASN 71 -10.640 2.513 -2.502 569 H PHE 72 H PHE 72 -4.853 6.299 -2.880 570 HA PHE 72 HA PHE 72 -4.132 7.125 -0.003 571 HD1 PHE 72 HD2 PHE 72 -2.270 5.497 1.267 572 HD2 PHE 72 HD1 PHE 72 -0.355 8.110 -1.578 573 HE1 PHE 72 HE2 PHE 72 -0.473 5.948 2.881 574 HE2 PHE 72 HE1 PHE 72 1.455 8.522 0.056 575 HZ PHE 72 HZ PHE 72 1.391 7.461 2.282 576 HB2 PHE 72 1HB PHE 72 -2.712 5.341 -1.260 577 HB3 PHE 72 2HB PHE 72 -2.177 6.611 -2.336 578 H THR 73 H THR 73 -4.638 9.162 0.273 579 HA THR 73 HA THR 73 -3.813 11.272 -1.832 580 HB THR 73 HB THR 73 -6.014 11.438 0.295 581 HG1 THR 73 HG1 THR 73 -6.122 11.349 -2.545 582 HG21 THR 73 3HG2 THR 73 -6.631 13.610 -0.481 583 HG22 THR 73 1HG2 THR 73 -4.924 13.716 -0.015 584 HG23 THR 73 2HG2 THR 73 -5.369 13.675 -1.717 585 H VAL 74 H VAL 74 -1.950 12.077 -1.333 586 HA VAL 74 HA VAL 74 -1.196 12.582 1.586 587 HB VAL 74 HB VAL 74 -0.110 10.601 0.911 588 HG11 VAL 74 1HG1 VAL 74 1.688 10.534 -0.890 589 HG12 VAL 74 2HG1 VAL 74 0.053 10.720 -1.553 590 HG13 VAL 74 3HG1 VAL 74 1.131 12.120 -1.452 591 HG21 VAL 74 3HG2 VAL 74 1.226 12.282 2.357 592 HG22 VAL 74 1HG2 VAL 74 2.234 11.132 1.449 593 HG23 VAL 74 2HG2 VAL 74 2.059 12.812 0.890 594 H PHE 75 H PHE 75 -0.440 14.449 2.093 595 HA PHE 75 HA PHE 75 -0.259 16.631 -0.016 596 HD1 PHE 75 HD1 PHE 75 -2.920 15.427 2.548 597 HD2 PHE 75 HD2 PHE 75 -1.981 19.054 0.438 598 HE1 PHE 75 HE1 PHE 75 -5.282 15.624 1.810 599 HE2 PHE 75 HE2 PHE 75 -4.331 19.239 -0.290 600 HZ PHE 75 HZ PHE 75 -5.981 17.517 0.390 601 HB2 PHE 75 1HB PHE 75 -0.744 16.695 3.026 602 HB3 PHE 75 2HB PHE 75 -0.390 18.139 2.109 603 H PHE 76 H PHE 76 1.460 17.805 -0.398 604 HA PHE 76 HA PHE 76 3.996 17.434 1.255 605 HD1 PHE 76 HD1 PHE 76 5.677 15.249 0.545 606 HD2 PHE 76 HD2 PHE 76 2.795 15.680 -2.609 607 HE1 PHE 76 HE1 PHE 76 5.407 12.784 0.414 608 HE2 PHE 76 HE2 PHE 76 2.652 13.269 -2.819 609 HZ PHE 76 HZ PHE 76 3.907 11.793 -1.267 610 HB2 PHE 76 1HB PHE 76 3.938 17.650 -1.826 611 HB3 PHE 76 2HB PHE 76 5.354 17.484 -0.819 612 H GLU 77 H GLU 77 5.324 19.170 1.457 613 HA GLU 77 HA GLU 77 3.994 21.822 1.395 614 HB2 GLU 77 1HB GLU 77 5.376 20.839 3.210 615 HB3 GLU 77 2HB GLU 77 6.815 20.854 2.197 616 HG2 GLU 77 1HG GLU 77 6.687 23.432 2.178 617 HG3 GLU 77 2HG GLU 77 5.286 23.334 3.252 618 H ASN 78 H ASN 78 7.084 20.897 0.110 619 HA ASN 78 HA ASN 78 5.970 21.323 -2.605 620 HB2 ASN 78 1HB ASN 78 7.560 23.273 -2.358 621 HB3 ASN 78 2HB ASN 78 8.907 22.188 -2.139 622 HD21 ASN 78 1HD2 ASN 78 9.776 21.238 -4.038 623 HD22 ASN 78 2HD2 ASN 78 9.121 21.705 -5.693 624 H GLU 79 H GLU 79 9.085 20.120 -1.281 625 HA GLU 79 HA GLU 79 8.322 17.297 -2.158 626 HB2 GLU 79 1HB GLU 79 11.002 18.574 -1.353 627 HB3 GLU 79 2HB GLU 79 10.801 16.857 -1.223 628 HG2 GLU 79 1HG GLU 79 10.521 18.453 -3.830 629 HG3 GLU 79 2HG GLU 79 11.841 17.396 -3.356 630 H GLN 80 H GLN 80 8.837 19.080 0.911 631 HA GLN 80 HA GLN 80 9.161 16.472 2.323 632 HB2 GLN 80 1HB GLN 80 9.576 17.555 4.358 633 HB3 GLN 80 2HB GLN 80 10.634 18.096 3.077 634 HG2 GLN 80 1HG GLN 80 9.515 20.291 2.929 635 HG3 GLN 80 2HG GLN 80 8.227 19.793 4.003 636 HE21 GLN 80 1HE2 GLN 80 9.549 22.039 4.640 637 HE22 GLN 80 2HE2 GLN 80 10.703 21.687 6.035 638 H VAL 81 H VAL 81 7.843 15.424 3.549 639 HA VAL 81 HA VAL 81 5.114 15.665 2.658 640 HB VAL 81 HB VAL 81 5.844 13.611 4.802 641 HG11 VAL 81 1HG1 VAL 81 3.473 13.625 4.144 642 HG12 VAL 81 2HG1 VAL 81 3.879 13.621 2.413 643 HG13 VAL 81 3HG1 VAL 81 4.240 12.208 3.419 644 HG21 VAL 81 3HG2 VAL 81 6.477 12.060 2.813 645 HG22 VAL 81 1HG2 VAL 81 6.765 13.548 1.861 646 HG23 VAL 81 2HG2 VAL 81 7.676 13.237 3.323 647 H VAL 82 H VAL 82 3.293 16.206 3.533 648 HA VAL 82 HA VAL 82 3.277 17.665 6.215 649 HB VAL 82 HB VAL 82 1.398 17.808 3.791 650 HG11 VAL 82 1HG1 VAL 82 1.250 19.487 6.386 651 HG12 VAL 82 2HG1 VAL 82 0.317 19.769 4.897 652 HG13 VAL 82 3HG1 VAL 82 0.043 18.302 5.847 653 HG21 VAL 82 3HG2 VAL 82 2.443 19.829 3.184 654 HG22 VAL 82 1HG2 VAL 82 3.085 20.163 4.823 655 HG23 VAL 82 2HG2 VAL 82 3.832 18.949 3.785 656 H ARG 83 H ARG 83 0.997 15.541 4.402 657 HA ARG 83 HA ARG 83 0.806 13.625 6.552 658 HE ARG 83 HE ARG 83 -2.725 14.056 4.728 659 HB2 ARG 83 1HB ARG 83 -1.448 13.844 7.416 660 HB3 ARG 83 2HB ARG 83 -0.431 15.173 7.848 661 HG2 ARG 83 1HG ARG 83 -2.022 16.581 7.301 662 HG3 ARG 83 2HG ARG 83 -1.704 16.305 5.610 663 HD2 ARG 83 1HD ARG 83 -3.759 14.727 7.325 664 HD3 ARG 83 2HD ARG 83 -4.124 16.136 6.312 665 HH11 ARG 83 2HH2 ARG 83 -5.958 14.616 6.107 666 HH12 ARG 83 1HH2 ARG 83 -6.669 13.794 4.600 667 HH21 ARG 83 2HH1 ARG 83 -3.777 13.141 3.104 668 HH22 ARG 83 1HH1 ARG 83 -5.612 13.068 3.217 669 H TRP 84 H TRP 84 -0.280 11.779 6.085 670 HA TRP 84 HA TRP 84 -1.656 11.594 3.379 671 HD1 TRP 84 HD1 TRP 84 -1.047 7.292 5.045 672 HE1 TRP 84 HE1 TRP 84 0.932 6.099 6.275 673 HE3 TRP 84 HE3 TRP 84 2.474 10.905 4.170 674 HZ2 TRP 84 HZ2 TRP 84 3.673 6.721 6.642 675 HZ3 TRP 84 HZ3 TRP 84 4.807 10.485 4.917 676 HH2 TRP 84 HH2 TRP 84 5.382 8.452 6.081 677 HB2 TRP 84 1HB TRP 84 -1.022 9.315 3.092 678 HB3 TRP 84 2HB TRP 84 0.330 10.399 3.118 679 H GLU 85 H GLU 85 -3.414 10.607 3.137 680 HA GLU 85 HA GLU 85 -4.794 9.167 5.461 681 HB2 GLU 85 1HB GLU 85 -6.964 9.696 4.743 682 HB3 GLU 85 2HB GLU 85 -6.061 11.176 4.941 683 HG2 GLU 85 1HG GLU 85 -5.653 10.896 2.276 684 HG3 GLU 85 2HG GLU 85 -7.010 9.811 2.352 685 H GLY 86 H GLY 86 -4.779 7.116 5.130 686 HA2 GLY 86 1HA GLY 86 -4.512 5.887 2.314 687 HA3 GLY 86 2HA GLY 86 -3.896 5.174 3.778 688 H ASP 87 H ASP 87 -6.424 5.203 1.695 689 HA ASP 87 HA ASP 87 -8.443 3.871 3.596 690 HB2 ASP 87 1HB ASP 87 -9.327 5.866 2.568 691 HB3 ASP 87 2HB ASP 87 -8.775 5.445 0.967 692 H TYR 88 H TYR 88 -6.549 2.360 3.376 693 HA TYR 88 HA TYR 88 -5.792 1.367 0.788 694 HD1 TYR 88 HD1 TYR 88 -2.753 1.961 1.244 695 HD2 TYR 88 HD2 TYR 88 -4.688 1.542 5.062 696 HE1 TYR 88 HE1 TYR 88 -1.088 3.469 2.264 697 HE2 TYR 88 HE2 TYR 88 -3.044 3.057 6.068 698 HH TYR 88 HH TYR 88 -1.267 4.307 5.726 699 HB2 TYR 88 1HB TYR 88 -5.062 -0.097 3.369 700 HB3 TYR 88 2HB TYR 88 -4.201 -0.059 1.847 701 H PHE 89 H PHE 89 -5.701 -0.728 -0.071 702 HA PHE 89 HA PHE 89 -7.520 -2.913 1.142 703 HD1 PHE 89 HD1 PHE 89 -8.585 -0.198 -1.012 704 HD2 PHE 89 HD2 PHE 89 -9.792 -4.342 -1.037 705 HE1 PHE 89 HE1 PHE 89 -10.933 0.482 -1.004 706 HE2 PHE 89 HE2 PHE 89 -12.147 -3.639 -1.052 707 HZ PHE 89 HZ PHE 89 -12.733 -1.233 -1.036 708 HB2 PHE 89 1HB PHE 89 -6.966 -2.262 -1.823 709 HB3 PHE 89 2HB PHE 89 -7.464 -3.850 -1.308 710 HA PRO 90 HA PRO 90 -2.973 -3.917 1.325 711 HB2 PRO 90 1HB PRO 90 -2.644 -4.443 3.990 712 HB3 PRO 90 2HB PRO 90 -3.106 -2.823 3.419 713 HG2 PRO 90 1HG PRO 90 -5.040 -5.033 4.404 714 HG3 PRO 90 2HG PRO 90 -4.882 -3.382 5.069 715 HD2 PRO 90 1HD PRO 90 -6.777 -3.913 3.105 716 HD3 PRO 90 2HD PRO 90 -5.865 -2.379 3.131 717 H SER 91 H SER 91 -4.067 -5.704 -0.048 718 HA SER 91 HA SER 91 -4.032 -8.451 1.217 719 HG SER 91 HG SER 91 -3.778 -9.781 -1.287 720 HB2 SER 91 1HB SER 91 -5.715 -7.851 -0.498 721 HB3 SER 91 2HB SER 91 -4.453 -7.551 -1.708 722 H GLN 92 H GLN 92 -1.624 -7.358 1.544 723 HA GLN 92 HA GLN 92 0.243 -9.450 0.644 724 HB2 GLN 92 1HB GLN 92 1.786 -8.212 -0.807 725 HB3 GLN 92 2HB GLN 92 0.222 -8.484 -1.525 726 HG2 GLN 92 1HG GLN 92 -0.369 -5.990 -0.877 727 HG3 GLN 92 2HG GLN 92 1.306 -5.811 -0.416 728 HE21 GLN 92 1HE2 GLN 92 -0.807 -6.438 -3.151 729 HE22 GLN 92 2HE2 GLN 92 0.473 -5.994 -4.394 730 H ASP 93 H ASP 93 0.179 -9.275 2.994 731 HA ASP 93 HA ASP 93 2.640 -7.863 3.914 732 HB2 ASP 93 1HB ASP 93 0.746 -6.164 4.215 733 HB3 ASP 93 2HB ASP 93 0.092 -7.183 5.488 734 H GLU 94 H GLU 94 3.400 -9.884 4.157 735 HA GLU 94 HA GLU 94 2.673 -11.598 6.498 736 HB2 GLU 94 1HB GLU 94 3.954 -12.428 4.529 737 HB3 GLU 94 2HB GLU 94 5.301 -11.351 4.901 738 HG2 GLU 94 1HG GLU 94 5.746 -12.551 7.042 739 HG3 GLU 94 2HG GLU 94 4.317 -13.566 6.824 740 H GLN 95 H GLN 95 2.308 -9.690 7.825 741 HA GLN 95 HA GLN 95 4.441 -9.608 9.896 742 HB2 GLN 95 1HB GLN 95 4.809 -7.552 8.089 743 HB3 GLN 95 2HB GLN 95 3.649 -6.758 9.092 744 HG2 GLN 95 1HG GLN 95 6.401 -7.927 9.871 745 HG3 GLN 95 2HG GLN 95 5.966 -6.242 9.731 746 HE21 GLN 95 1HE2 GLN 95 6.143 -8.855 11.893 747 HE22 GLN 95 2HE2 GLN 95 5.147 -8.063 13.220 748 H LEU 96 H LEU 96 2.917 -10.465 11.267 749 HA LEU 96 HA LEU 96 0.430 -9.108 12.071 750 HG LEU 96 HG LEU 96 0.301 -12.524 13.653 751 HB2 LEU 96 1HB LEU 96 2.228 -11.171 13.441 752 HB3 LEU 96 2HB LEU 96 1.059 -10.356 14.413 753 HD11 LEU 96 1HD1 LEU 96 -1.344 -10.760 14.316 754 HD12 LEU 96 2HD1 LEU 96 -1.528 -10.261 12.618 755 HD13 LEU 96 3HD1 LEU 96 -2.017 -11.889 13.133 756 HD21 LEU 96 3HD2 LEU 96 1.185 -12.643 11.298 757 HD22 LEU 96 1HD2 LEU 96 -0.560 -12.942 11.366 758 HD23 LEU 96 2HD2 LEU 96 0.050 -11.378 10.792 759 H ALA 97 H ALA 97 0.186 -7.285 13.023 760 HA ALA 97 HA ALA 97 2.295 -5.594 12.582 761 HB1 ALA 97 3HB ALA 97 -0.395 -4.877 13.880 762 HB2 ALA 97 1HB ALA 97 0.691 -3.752 13.040 763 HB3 ALA 97 2HB ALA 97 -0.049 -5.088 12.140 764 H LYS 98 H LYS 98 4.050 -5.339 13.741 765 HA LYS 98 HA LYS 98 3.934 -4.180 16.559 766 HB2 LYS 98 1HB LYS 98 6.399 -3.823 16.366 767 HB3 LYS 98 2HB LYS 98 5.825 -5.460 16.434 768 HG2 LYS 98 1HG LYS 98 7.793 -5.131 14.967 769 HG3 LYS 98 2HG LYS 98 6.460 -6.014 14.272 770 HD2 LYS 98 1HD LYS 98 7.305 -4.723 12.529 771 HD3 LYS 98 2HD LYS 98 5.735 -4.089 12.943 772 HE2 LYS 98 1HE LYS 98 6.970 -2.182 14.271 773 HE3 LYS 98 2HE LYS 98 8.475 -2.798 13.594 774 HZ1 LYS 98 3HZ LYS 98 7.871 -1.658 11.616 775 HZ2 LYS 98 1HZ LYS 98 6.562 -2.654 11.468 776 HZ3 LYS 98 2HZ LYS 98 6.374 -1.218 12.210 777 H ALA 99 H ALA 99 4.634 -2.085 17.050 778 HA ALA 99 HA ALA 99 4.497 0.022 14.851 779 HB1 ALA 99 3HB ALA 99 4.254 0.344 17.920 780 HB2 ALA 99 1HB ALA 99 4.175 1.650 16.717 781 HB3 ALA 99 2HB ALA 99 2.917 0.402 16.742 782 H ALA 100 H ALA 100 6.334 1.064 14.345 783 HA ALA 100 HA ALA 100 8.947 0.060 15.424 784 HB1 ALA 100 3HB ALA 100 9.897 1.456 13.548 785 HB2 ALA 100 1HB ALA 100 8.575 0.414 12.983 786 HB3 ALA 100 2HB ALA 100 8.283 2.145 13.239 787 HA PRO 101 HA PRO 101 9.521 3.785 18.149 788 HB2 PRO 101 1HB PRO 101 12.091 3.372 19.055 789 HB3 PRO 101 2HB PRO 101 10.718 2.338 19.507 790 HG2 PRO 101 1HG PRO 101 12.770 1.814 17.264 791 HG3 PRO 101 2HG PRO 101 12.328 0.709 18.594 792 HD2 PRO 101 1HD PRO 101 11.144 0.520 16.092 793 HD3 PRO 101 2HD PRO 101 10.189 0.190 17.576 794 H LYS 102 H LYS 102 9.233 4.891 16.176 795 HA LYS 102 HA LYS 102 11.533 5.662 14.474 796 HB2 LYS 102 1HB LYS 102 9.318 4.719 13.732 797 HB3 LYS 102 2HB LYS 102 8.521 6.196 14.249 798 HG2 LYS 102 1HG LYS 102 8.714 6.518 11.985 799 HG3 LYS 102 2HG LYS 102 10.040 7.494 12.581 800 HD2 LYS 102 1HD LYS 102 11.598 5.417 12.069 801 HD3 LYS 102 2HD LYS 102 10.174 4.671 11.333 802 HE2 LYS 102 1HE LYS 102 10.011 6.875 9.844 803 HE3 LYS 102 2HE LYS 102 11.592 7.303 10.467 804 HZ1 LYS 102 3HZ LYS 102 11.546 5.955 8.296 805 HZ2 LYS 102 1HZ LYS 102 12.480 5.195 9.452 806 HZ3 LYS 102 2HZ LYS 102 10.937 4.680 9.112 807 H GLN 103 H GLN 103 12.718 7.193 15.643 808 HA GLN 103 HA GLN 103 11.558 9.889 16.255 809 HB2 GLN 103 1HB GLN 103 13.722 10.533 17.023 810 HB3 GLN 103 2HB GLN 103 13.242 8.985 17.684 811 HG2 GLN 103 1HG GLN 103 14.828 7.827 15.982 812 HG3 GLN 103 2HG GLN 103 15.299 9.411 15.405 813 HE21 GLN 103 1HE2 GLN 103 15.527 7.207 18.132 814 HE22 GLN 103 2HE2 GLN 103 16.900 8.158 18.912 815 H PHE 104 H PHE 104 10.824 9.631 13.837 816 HA PHE 104 HA PHE 104 11.653 11.960 12.413 817 HD1 PHE 104 HD1 PHE 104 13.562 13.152 10.818 818 HD2 PHE 104 HD2 PHE 104 12.088 9.671 8.748 819 HE1 PHE 104 HE1 PHE 104 13.537 14.410 8.698 820 HE2 PHE 104 HE2 PHE 104 12.121 10.924 6.632 821 HZ PHE 104 HZ PHE 104 12.817 13.317 6.612 822 HB2 PHE 104 1HB PHE 104 13.769 10.746 11.807 823 HB3 PHE 104 2HB PHE 104 12.856 9.442 11.084 824 H GLY 105 H GLY 105 9.416 12.054 12.426 825 HA2 GLY 105 1HA GLY 105 8.023 10.720 10.063 826 HA3 GLY 105 2HA GLY 105 7.431 10.351 11.675 827 H ARG 106 H ARG 106 7.763 12.885 9.265 828 HA ARG 106 HA ARG 106 5.871 14.685 10.825 829 HE ARG 106 HE ARG 106 6.167 17.524 6.906 830 HB2 ARG 106 1HB ARG 106 7.979 15.517 9.527 831 HB3 ARG 106 2HB ARG 106 7.021 15.341 8.055 832 HG2 ARG 106 1HG ARG 106 5.222 16.878 9.157 833 HG3 ARG 106 2HG ARG 106 6.267 17.000 10.561 834 HD2 ARG 106 1HD ARG 106 6.765 18.961 9.477 835 HD3 ARG 106 2HD ARG 106 8.127 17.961 8.941 836 HH11 ARG 106 2HH2 ARG 106 7.660 20.481 8.170 837 HH12 ARG 106 1HH2 ARG 106 7.121 21.358 6.615 838 HH21 ARG 106 2HH1 ARG 106 5.742 18.663 5.210 839 HH22 ARG 106 1HH1 ARG 106 6.185 20.468 5.212 840 H ASN 107 H ASN 107 4.190 13.187 10.782 841 HA ASN 107 HA ASN 107 2.332 13.521 8.366 842 HB2 ASN 107 1HB ASN 107 3.488 11.341 8.124 843 HB3 ASN 107 2HB ASN 107 3.064 10.873 9.766 844 HD21 ASN 107 1HD2 ASN 107 2.060 9.036 8.952 845 HD22 ASN 107 2HD2 ASN 107 0.462 9.132 8.048 846 H LEU 108 H LEU 108 1.089 14.992 9.497 847 HA LEU 108 HA LEU 108 -0.311 14.144 12.043 848 HG LEU 108 HG LEU 108 -1.184 17.820 12.395 849 HB2 LEU 108 1HB LEU 108 0.525 16.515 11.475 850 HB3 LEU 108 2HB LEU 108 -0.784 16.657 10.327 851 HD11 LEU 108 1HD1 LEU 108 -3.195 15.485 12.312 852 HD12 LEU 108 2HD1 LEU 108 -3.449 17.109 12.978 853 HD13 LEU 108 3HD1 LEU 108 -3.216 16.896 11.233 854 HD21 LEU 108 3HD2 LEU 108 -1.478 16.779 14.600 855 HD22 LEU 108 1HD2 LEU 108 -1.161 15.156 13.958 856 HD23 LEU 108 2HD2 LEU 108 0.132 16.377 13.980 857 H ALA 109 H ALA 109 -1.153 12.211 11.066 858 HA ALA 109 HA ALA 109 -2.822 12.199 8.711 859 HB1 ALA 109 3HB ALA 109 -2.698 10.040 10.851 860 HB2 ALA 109 1HB ALA 109 -3.151 9.842 9.146 861 HB3 ALA 109 2HB ALA 109 -1.474 10.262 9.562 862 H ARG 110 H ARG 110 -4.321 13.515 8.995 863 HA ARG 110 HA ARG 110 -6.865 12.933 10.638 864 HE ARG 110 HE ARG 110 -9.439 17.719 10.635 865 HB2 ARG 110 1HB ARG 110 -5.588 14.637 11.677 866 HB3 ARG 110 2HB ARG 110 -5.271 15.530 10.214 867 HG2 ARG 110 1HG ARG 110 -8.210 15.208 11.032 868 HG3 ARG 110 2HG ARG 110 -7.209 16.172 12.089 869 HD2 ARG 110 1HD ARG 110 -6.904 17.918 10.616 870 HD3 ARG 110 2HD ARG 110 -6.828 16.936 9.188 871 HH11 ARG 110 2HH2 ARG 110 -7.948 16.538 7.717 872 HH12 ARG 110 1HH2 ARG 110 -9.576 16.507 6.884 873 HH21 ARG 110 2HH1 ARG 110 -11.234 17.720 9.537 874 HH22 ARG 110 1HH1 ARG 110 -11.205 17.214 7.778 875 H ASP 111 H ASP 111 -8.323 12.194 9.180 876 HA ASP 111 HA ASP 111 -9.742 14.474 8.244 877 HB2 ASP 111 1HB ASP 111 -8.374 13.569 6.051 878 HB3 ASP 111 2HB ASP 111 -9.731 12.478 5.934 879 H LYS 112 H LYS 112 -11.829 13.952 7.314 880 HA LYS 112 HA LYS 112 -13.079 11.375 8.244 881 HB2 LYS 112 1HB LYS 112 -13.453 13.102 10.125 882 HB3 LYS 112 2HB LYS 112 -14.404 14.054 9.001 883 HG2 LYS 112 1HG LYS 112 -15.951 12.873 10.330 884 HG3 LYS 112 2HG LYS 112 -16.036 12.099 8.755 885 HD2 LYS 112 1HD LYS 112 -14.523 10.224 9.607 886 HD3 LYS 112 2HD LYS 112 -14.400 11.040 11.170 887 HE2 LYS 112 1HE LYS 112 -16.937 10.840 11.464 888 HE3 LYS 112 2HE LYS 112 -17.051 10.024 9.899 889 HZ1 LYS 112 3HZ LYS 112 -16.857 8.359 11.756 890 HZ2 LYS 112 1HZ LYS 112 -15.528 8.245 10.794 891 HZ3 LYS 112 2HZ LYS 112 -15.424 9.003 12.241 892 H LYS 113 H LYS 113 -12.473 11.466 5.963 893 HA LYS 113 HA LYS 113 -14.833 11.713 4.124 894 HB2 LYS 113 1HB LYS 113 -14.130 14.059 4.287 895 HB3 LYS 113 2HB LYS 113 -12.463 13.701 4.013 896 HG2 LYS 113 1HG LYS 113 -14.737 13.382 1.945 897 HG3 LYS 113 2HG LYS 113 -13.774 14.820 2.164 898 HD2 LYS 113 1HD LYS 113 -12.777 12.123 1.059 899 HD3 LYS 113 2HD LYS 113 -13.137 13.574 0.195 900 HE2 LYS 113 1HE LYS 113 -10.795 13.503 0.263 901 HE3 LYS 113 2HE LYS 113 -11.218 14.790 1.390 902 HZ1 LYS 113 3HZ LYS 113 -9.543 12.607 2.024 903 HZ2 LYS 113 1HZ LYS 113 -10.293 13.615 3.157 904 HZ3 LYS 113 2HZ LYS 113 -10.965 12.159 2.712 905 H LYS 114 H LYS 114 -14.562 10.121 2.608 906 HA LYS 114 HA LYS 114 -12.222 8.359 2.757 907 HB2 LYS 114 1HB LYS 114 -14.613 7.689 2.421 908 HB3 LYS 114 2HB LYS 114 -14.565 8.271 0.759 909 HG2 LYS 114 1HG LYS 114 -12.678 6.565 0.291 910 HG3 LYS 114 2HG LYS 114 -12.779 6.053 1.971 911 HD2 LYS 114 1HD LYS 114 -15.242 5.413 1.618 912 HD3 LYS 114 2HD LYS 114 -15.115 5.945 -0.051 913 HE2 LYS 114 1HE LYS 114 -14.905 3.583 -0.163 914 HE3 LYS 114 2HE LYS 114 -13.281 4.208 -0.470 915 HZ1 LYS 114 3HZ LYS 114 -12.581 3.666 1.811 916 HZ2 LYS 114 1HZ LYS 114 -14.114 3.268 2.292 917 HZ3 LYS 114 2HZ LYS 114 -13.287 2.322 1.207 918 H GLN 115 H GLN 115 -13.232 9.402 -0.536 919 HA GLN 115 HA GLN 115 -10.866 11.094 -0.831 920 HB2 GLN 115 1HB GLN 115 -9.844 8.839 -1.090 921 HB3 GLN 115 2HB GLN 115 -10.835 8.469 -2.471 922 HG2 GLN 115 1HG GLN 115 -9.016 10.979 -2.493 923 HG3 GLN 115 2HG GLN 115 -8.279 9.396 -2.543 924 HE21 GLN 115 1HE2 GLN 115 -7.738 10.942 -4.607 925 HE22 GLN 115 2HE2 GLN 115 -8.617 10.276 -6.071 926 H ARG 116 H ARG 116 -11.541 10.273 -3.928 927 HA ARG 116 HA ARG 116 -14.231 11.300 -4.285 928 HE ARG 116 HE ARG 116 -8.754 14.364 -5.968 929 HB2 ARG 116 1HB ARG 116 -14.124 13.439 -5.050 930 HB3 ARG 116 2HB ARG 116 -13.128 13.465 -3.627 931 HG2 ARG 116 1HG ARG 116 -12.302 13.761 -6.549 932 HG3 ARG 116 2HG ARG 116 -12.210 14.936 -5.279 933 HD2 ARG 116 1HD ARG 116 -10.318 13.908 -4.197 934 HD3 ARG 116 2HD ARG 116 -10.531 12.385 -5.009 935 HH11 ARG 116 2HH2 ARG 116 -11.215 12.296 -7.418 936 HH12 ARG 116 1HH2 ARG 116 -9.926 11.830 -8.665 937 HH21 ARG 116 2HH1 ARG 116 -7.562 13.799 -7.358 938 HH22 ARG 116 1HH1 ARG 116 -8.124 12.586 -8.672 939 H GLY 117 H GLY 117 -13.639 9.124 -5.165 940 HA2 GLY 117 1HA GLY 117 -13.967 7.817 -7.155 941 HA3 GLY 117 2HA GLY 117 -13.812 9.247 -8.132 942 H ARG 118 H ARG 118 -11.650 9.916 -8.640 943 HA ARG 118 HA ARG 118 -9.468 7.767 -8.537 944 HE ARG 118 HE ARG 118 -5.781 7.833 -12.481 945 HB2 ARG 118 1HB ARG 118 -10.355 7.189 -10.569 946 HB3 ARG 118 2HB ARG 118 -10.846 8.803 -11.027 947 HG2 ARG 118 1HG ARG 118 -9.081 7.947 -12.479 948 HG3 ARG 118 2HG ARG 118 -8.727 9.485 -11.736 949 HD2 ARG 118 1HD ARG 118 -7.303 8.009 -9.945 950 HD3 ARG 118 2HD ARG 118 -7.477 6.742 -11.107 951 HH11 ARG 118 2HH2 ARG 118 -7.143 10.312 -10.360 952 HH12 ARG 118 1HH2 ARG 118 -5.666 11.347 -10.690 953 HH21 ARG 118 2HH1 ARG 118 -4.311 8.970 -12.790 954 HH22 ARG 118 1HH1 ARG 118 -4.121 10.655 -12.036 Start of MODEL 15 1 HA MET 1 HA MET 1 10.994 22.398 5.748 2 H1 MET 1 1H MET 1 8.174 21.952 6.663 3 H2 MET 1 2H MET 1 8.689 23.453 6.250 4 H3 MET 1 3H MET 1 8.640 22.277 5.121 5 HB2 MET 1 1HB MET 1 9.927 22.518 8.661 6 HB3 MET 1 2HB MET 1 11.617 22.305 8.250 7 HG2 MET 1 1HG MET 1 11.660 24.529 7.041 8 HG3 MET 1 2HG MET 1 9.967 24.809 7.497 9 HE1 MET 1 3HE MET 1 10.649 27.056 8.714 10 HE2 MET 1 1HE MET 1 11.937 27.159 9.945 11 HE3 MET 1 2HE MET 1 12.356 26.779 8.253 12 H ALA 2 H ALA 2 12.228 20.545 5.813 13 HA ALA 2 HA ALA 2 10.686 18.026 5.690 14 HB1 ALA 2 3HB ALA 2 12.373 18.661 4.001 15 HB2 ALA 2 1HB ALA 2 13.680 18.589 5.216 16 HB3 ALA 2 2HB ALA 2 12.800 17.118 4.759 17 H GLY 3 H GLY 3 10.118 17.137 7.563 18 HA2 GLY 3 1HA GLY 3 12.073 16.554 9.826 19 HA3 GLY 3 2HA GLY 3 10.381 16.107 9.776 20 H SER 4 H SER 4 13.439 15.345 8.221 21 HA SER 4 HA SER 4 12.402 12.743 7.190 22 HG SER 4 HG SER 4 15.108 12.668 4.973 23 HB2 SER 4 1HB SER 4 13.738 14.341 5.835 24 HB3 SER 4 2HB SER 4 15.171 14.023 6.833 25 H GLY 5 H GLY 5 12.122 11.480 9.037 26 HA2 GLY 5 1HA GLY 5 14.642 10.154 10.212 27 HA3 GLY 5 2HA GLY 5 12.988 9.812 10.685 28 H ILE 6 H ILE 6 14.850 9.747 7.691 29 HA ILE 6 HA ILE 6 12.888 8.015 6.504 30 HB ILE 6 HB ILE 6 13.795 9.957 5.483 31 HG12 ILE 6 1HG1 ILE 6 14.092 7.489 3.674 32 HG13 ILE 6 2HG1 ILE 6 12.564 8.110 4.257 33 HG21 ILE 6 1HG2 ILE 6 15.936 10.082 4.320 34 HG22 ILE 6 2HG2 ILE 6 16.252 9.556 5.985 35 HG23 ILE 6 3HG2 ILE 6 16.326 8.375 4.661 36 HD11 ILE 6 3HD1 ILE 6 12.955 8.989 1.987 37 HD12 ILE 6 1HD1 ILE 6 13.025 10.353 3.129 38 HD13 ILE 6 2HD1 ILE 6 14.518 9.674 2.445 39 H ILE 7 H ILE 7 13.235 6.231 7.957 40 HA ILE 7 HA ILE 7 15.231 4.183 7.044 41 HB ILE 7 HB ILE 7 14.903 4.587 9.373 42 HG12 ILE 7 1HG1 ILE 7 14.593 2.163 10.165 43 HG13 ILE 7 2HG1 ILE 7 14.197 1.712 8.507 44 HG21 ILE 7 1HG2 ILE 7 12.535 5.109 9.652 45 HG22 ILE 7 2HG2 ILE 7 12.029 3.478 9.215 46 HG23 ILE 7 3HG2 ILE 7 12.969 3.761 10.701 47 HD11 ILE 7 3HD1 ILE 7 16.597 1.290 9.096 48 HD12 ILE 7 1HD1 ILE 7 16.499 2.438 7.752 49 HD13 ILE 7 2HD1 ILE 7 16.862 3.019 9.395 50 H TYR 8 H TYR 8 14.529 3.982 4.955 51 HA TYR 8 HA TYR 8 12.115 3.381 3.848 52 HD1 TYR 8 HD2 TYR 8 12.631 4.673 1.143 53 HD2 TYR 8 HD1 TYR 8 16.311 3.915 3.258 54 HE1 TYR 8 HE2 TYR 8 13.537 6.829 0.372 55 HE2 TYR 8 HE1 TYR 8 17.194 6.061 2.490 56 HH TYR 8 HH TYR 8 16.759 7.934 1.406 57 HB2 TYR 8 1HB TYR 8 14.735 2.065 2.861 58 HB3 TYR 8 2HB TYR 8 13.304 2.306 1.899 59 H LYS 9 H LYS 9 10.899 1.671 3.239 60 HA LYS 9 HA LYS 9 11.476 -1.114 4.330 61 HB2 LYS 9 1HB LYS 9 9.147 0.570 5.165 62 HB3 LYS 9 2HB LYS 9 8.574 -0.776 4.268 63 HG2 LYS 9 1HG LYS 9 8.570 -1.863 6.206 64 HG3 LYS 9 2HG LYS 9 10.246 -2.228 5.907 65 HD2 LYS 9 1HD LYS 9 9.164 0.201 7.477 66 HD3 LYS 9 2HD LYS 9 9.597 -1.321 8.239 67 HE2 LYS 9 1HE LYS 9 11.991 -1.062 7.708 68 HE3 LYS 9 2HE LYS 9 11.674 0.282 6.618 69 HZ1 LYS 9 3HZ LYS 9 10.804 1.622 8.481 70 HZ2 LYS 9 1HZ LYS 9 11.109 0.471 9.592 71 HZ3 LYS 9 2HZ LYS 9 12.350 1.204 8.769 72 H GLN 10 H GLN 10 11.593 -2.420 2.653 73 HA GLN 10 HA GLN 10 10.118 -1.733 0.063 74 HB2 GLN 10 1HB GLN 10 12.507 -3.634 0.383 75 HB3 GLN 10 2HB GLN 10 11.727 -3.144 -1.107 76 HG2 GLN 10 1HG GLN 10 13.441 -1.432 0.780 77 HG3 GLN 10 2HG GLN 10 13.863 -1.991 -0.814 78 HE21 GLN 10 1HE2 GLN 10 12.430 -1.051 -2.627 79 HE22 GLN 10 2HE2 GLN 10 11.984 0.719 -2.368 80 HA PRO 11 HA PRO 11 7.900 -5.384 1.855 81 HB2 PRO 11 1HB PRO 11 5.323 -4.895 1.070 82 HB3 PRO 11 2HB PRO 11 6.203 -3.870 2.225 83 HG2 PRO 11 1HG PRO 11 5.900 -3.388 -0.809 84 HG3 PRO 11 2HG PRO 11 5.477 -2.252 0.494 85 HD2 PRO 11 1HD PRO 11 7.940 -2.139 -0.782 86 HD3 PRO 11 2HD PRO 11 7.810 -1.795 0.970 87 H ILE 12 H ILE 12 9.147 -6.836 0.604 88 HA ILE 12 HA ILE 12 8.069 -7.908 -1.951 89 HB ILE 12 HB ILE 12 10.420 -7.650 -1.671 90 HG12 ILE 12 1HG1 ILE 12 11.230 -9.885 -2.482 91 HG13 ILE 12 2HG1 ILE 12 9.698 -10.627 -2.049 92 HG21 ILE 12 1HG2 ILE 12 11.877 -9.114 -0.328 93 HG22 ILE 12 2HG2 ILE 12 10.785 -8.246 0.757 94 HG23 ILE 12 3HG2 ILE 12 10.486 -9.956 0.391 95 HD11 ILE 12 3HD1 ILE 12 10.033 -8.338 -4.123 96 HD12 ILE 12 1HD1 ILE 12 9.885 -10.067 -4.500 97 HD13 ILE 12 2HD1 ILE 12 8.514 -9.206 -3.784 98 H TYR 13 H TYR 13 6.034 -8.478 -1.302 99 HA TYR 13 HA TYR 13 5.684 -11.236 -0.043 100 HD1 TYR 13 HD2 TYR 13 4.582 -11.447 2.777 101 HD2 TYR 13 HD1 TYR 13 5.835 -7.476 1.686 102 HE1 TYR 13 HE2 TYR 13 5.720 -11.213 4.934 103 HE2 TYR 13 HE1 TYR 13 6.991 -7.254 3.856 104 HH TYR 13 HH TYR 13 7.029 -9.908 6.207 105 HB2 TYR 13 1HB TYR 13 4.045 -8.621 0.375 106 HB3 TYR 13 2HB TYR 13 3.466 -10.172 0.892 107 H GLN 14 H GLN 14 3.610 -12.137 -0.483 108 HA GLN 14 HA GLN 14 2.551 -12.228 -3.157 109 HB2 GLN 14 1HB GLN 14 0.472 -13.233 -2.011 110 HB3 GLN 14 2HB GLN 14 2.043 -14.020 -2.061 111 HG2 GLN 14 1HG GLN 14 0.707 -14.375 -0.009 112 HG3 GLN 14 2HG GLN 14 2.416 -14.073 0.131 113 HE21 GLN 14 1HE2 GLN 14 2.494 -13.318 2.180 114 HE22 GLN 14 2HE2 GLN 14 1.632 -11.804 2.760 115 H GLY 15 H GLY 15 0.785 -10.614 -0.522 116 HA2 GLY 15 1HA GLY 15 -0.208 -8.426 -2.423 117 HA3 GLY 15 2HA GLY 15 -0.498 -8.493 -0.694 118 H ASN 16 H ASN 16 1.929 -7.848 -3.088 119 HA ASN 16 HA ASN 16 3.965 -6.965 -1.242 120 HB2 ASN 16 1HB ASN 16 5.244 -6.170 -3.347 121 HB3 ASN 16 2HB ASN 16 5.053 -7.825 -2.947 122 HD21 ASN 16 1HD2 ASN 16 3.767 -9.164 -4.312 123 HD22 ASN 16 2HD2 ASN 16 3.163 -8.501 -5.936 124 H LEU 17 H LEU 17 2.740 -4.722 -3.762 125 HA LEU 17 HA LEU 17 4.177 -2.570 -2.612 126 HG LEU 17 HG LEU 17 3.329 -1.352 -6.047 127 HB2 LEU 17 1HB LEU 17 1.825 -2.580 -4.571 128 HB3 LEU 17 2HB LEU 17 2.395 -1.070 -3.960 129 HD11 LEU 17 1HD1 LEU 17 4.882 -0.341 -4.305 130 HD12 LEU 17 2HD1 LEU 17 5.710 -1.893 -4.158 131 HD13 LEU 17 3HD1 LEU 17 5.715 -1.025 -5.704 132 HD21 LEU 17 3HD2 LEU 17 4.680 -3.999 -5.244 133 HD22 LEU 17 1HD2 LEU 17 3.263 -3.845 -6.309 134 HD23 LEU 17 2HD2 LEU 17 4.820 -3.163 -6.800 135 H ILE 18 H ILE 18 0.545 -2.568 -2.229 136 HA ILE 18 HA ILE 18 0.881 -0.604 0.021 137 HB ILE 18 HB ILE 18 -1.549 -1.971 -1.257 138 HG12 ILE 18 1HG1 ILE 18 -0.733 -0.379 -2.779 139 HG13 ILE 18 2HG1 ILE 18 -2.145 0.305 -2.018 140 HG21 ILE 18 1HG2 ILE 18 -2.215 -1.550 1.080 141 HG22 ILE 18 2HG2 ILE 18 -1.627 0.120 1.008 142 HG23 ILE 18 3HG2 ILE 18 -3.015 -0.400 0.017 143 HD11 ILE 18 3HD1 ILE 18 0.793 1.121 -1.680 144 HD12 ILE 18 1HD1 ILE 18 -0.574 2.125 -2.197 145 HD13 ILE 18 2HD1 ILE 18 -0.406 1.675 -0.495 146 H LYS 19 H LYS 19 1.534 -1.259 1.927 147 HA LYS 19 HA LYS 19 -0.074 -3.402 3.408 148 HB2 LYS 19 1HB LYS 19 3.004 -3.293 3.528 149 HB3 LYS 19 2HB LYS 19 1.938 -4.294 4.505 150 HG2 LYS 19 1HG LYS 19 1.143 -5.264 2.080 151 HG3 LYS 19 2HG LYS 19 2.601 -4.488 1.520 152 HD2 LYS 19 1HD LYS 19 3.323 -6.687 1.984 153 HD3 LYS 19 2HD LYS 19 3.901 -5.790 3.385 154 HE2 LYS 19 1HE LYS 19 1.531 -6.541 4.498 155 HE3 LYS 19 2HE LYS 19 1.422 -7.645 3.138 156 HZ1 LYS 19 3HZ LYS 19 3.701 -7.641 5.140 157 HZ2 LYS 19 1HZ LYS 19 2.406 -8.703 5.085 158 HZ3 LYS 19 2HZ LYS 19 3.527 -8.710 3.885 159 H GLN 20 H GLN 20 -1.083 -1.984 4.841 160 HA GLN 20 HA GLN 20 0.390 0.353 5.898 161 HB2 GLN 20 1HB GLN 20 -1.917 0.334 5.059 162 HB3 GLN 20 2HB GLN 20 -2.477 -0.518 6.495 163 HG2 GLN 20 1HG GLN 20 -1.911 1.398 7.948 164 HG3 GLN 20 2HG GLN 20 -0.922 2.145 6.723 165 HE21 GLN 20 1HE2 GLN 20 -4.357 1.109 7.091 166 HE22 GLN 20 2HE2 GLN 20 -4.955 2.566 6.142 167 H ASN 21 H ASN 21 1.773 -1.434 6.758 168 HA ASN 21 HA ASN 21 2.086 -0.151 9.367 169 HB2 ASN 21 1HB ASN 21 1.202 -2.341 10.189 170 HB3 ASN 21 2HB ASN 21 2.514 -3.199 9.413 171 HD21 ASN 21 1HD2 ASN 21 2.202 -0.356 11.734 172 HD22 ASN 21 2HD2 ASN 21 3.489 -1.104 12.791 173 H ALA 22 H ALA 22 3.687 -2.297 6.946 174 HA ALA 22 HA ALA 22 6.325 -0.989 7.033 175 HB1 ALA 22 3HB ALA 22 6.504 -1.867 4.675 176 HB2 ALA 22 1HB ALA 22 5.880 -3.105 5.776 177 HB3 ALA 22 2HB ALA 22 4.777 -2.250 4.667 178 H VAL 23 H VAL 23 3.330 -0.022 5.297 179 HA VAL 23 HA VAL 23 4.493 2.461 4.195 180 HB VAL 23 HB VAL 23 1.524 1.818 4.668 181 HG11 VAL 23 1HG1 VAL 23 1.146 3.576 2.841 182 HG12 VAL 23 2HG1 VAL 23 1.736 4.261 4.369 183 HG13 VAL 23 3HG1 VAL 23 2.848 4.069 3.001 184 HG21 VAL 23 3HG2 VAL 23 1.503 1.289 2.200 185 HG22 VAL 23 1HG2 VAL 23 3.276 1.528 2.121 186 HG23 VAL 23 2HG2 VAL 23 2.605 0.197 3.055 187 H GLU 24 H GLU 24 2.966 1.863 7.331 188 HA GLU 24 HA GLU 24 3.264 4.653 8.339 189 HB2 GLU 24 1HB GLU 24 1.737 3.065 9.389 190 HB3 GLU 24 2HB GLU 24 3.009 1.888 9.659 191 HG2 GLU 24 1HG GLU 24 4.117 3.385 11.349 192 HG3 GLU 24 2HG GLU 24 2.876 4.603 11.100 193 H GLN 25 H GLN 25 5.275 1.720 8.711 194 HA GLN 25 HA GLN 25 7.410 3.291 10.068 195 HB2 GLN 25 1HB GLN 25 6.500 0.623 10.215 196 HB3 GLN 25 2HB GLN 25 8.034 0.417 9.438 197 HG2 GLN 25 1HG GLN 25 7.472 1.895 12.101 198 HG3 GLN 25 2HG GLN 25 7.959 0.231 11.942 199 HE21 GLN 25 1HE2 GLN 25 9.153 3.353 12.340 200 HE22 GLN 25 2HE2 GLN 25 10.915 2.874 12.132 201 H LEU 26 H LEU 26 7.112 2.648 6.661 202 HA LEU 26 HA LEU 26 9.847 3.163 5.952 203 HG LEU 26 HG LEU 26 6.260 3.881 4.954 204 HB2 LEU 26 1HB LEU 26 9.129 4.062 3.858 205 HB3 LEU 26 2HB LEU 26 8.339 2.574 4.322 206 HD11 LEU 26 1HD1 LEU 26 7.558 6.158 3.317 207 HD12 LEU 26 2HD1 LEU 26 5.860 6.072 3.837 208 HD13 LEU 26 3HD1 LEU 26 7.119 6.257 5.034 209 HD21 LEU 26 3HD2 LEU 26 7.211 3.895 2.008 210 HD22 LEU 26 1HD2 LEU 26 6.411 2.550 2.864 211 HD23 LEU 26 2HD2 LEU 26 5.522 4.037 2.546 212 H GLN 27 H GLN 27 7.722 5.411 7.469 213 HA GLN 27 HA GLN 27 7.960 7.699 8.061 214 HB2 GLN 27 1HB GLN 27 9.125 6.067 9.641 215 HB3 GLN 27 2HB GLN 27 10.655 6.551 8.938 216 HG2 GLN 27 1HG GLN 27 10.386 7.759 10.993 217 HG3 GLN 27 2HG GLN 27 10.257 8.937 9.721 218 HE21 GLN 27 1HE2 GLN 27 8.517 7.355 12.289 219 HE22 GLN 27 2HE2 GLN 27 7.040 8.447 12.125 220 H VAL 28 H VAL 28 8.270 7.912 5.494 221 HA VAL 28 HA VAL 28 10.680 9.561 4.820 222 HB VAL 28 HB VAL 28 8.122 8.995 3.193 223 HG11 VAL 28 1HG1 VAL 28 9.148 11.081 2.306 224 HG12 VAL 28 2HG1 VAL 28 10.771 10.376 2.338 225 HG13 VAL 28 3HG1 VAL 28 9.546 9.775 1.188 226 HG21 VAL 28 3HG2 VAL 28 10.951 7.816 2.721 227 HG22 VAL 28 1HG2 VAL 28 9.700 6.951 3.619 228 HG23 VAL 28 2HG2 VAL 28 9.431 7.377 1.921 229 H GLY 29 H GLY 29 10.859 11.591 5.318 230 HA2 GLY 29 1HA GLY 29 8.470 13.543 5.188 231 HA3 GLY 29 2HA GLY 29 9.558 13.644 6.556 232 H GLN 30 H GLN 30 10.034 13.139 3.154 233 HA GLN 30 HA GLN 30 12.007 15.461 2.882 234 HB2 GLN 30 1HB GLN 30 12.956 13.224 3.849 235 HB3 GLN 30 2HB GLN 30 12.660 12.493 2.283 236 HG2 GLN 30 1HG GLN 30 14.216 14.270 1.221 237 HG3 GLN 30 2HG GLN 30 14.493 14.933 2.822 238 HE21 GLN 30 1HE2 GLN 30 15.331 12.345 0.666 239 HE22 GLN 30 2HE2 GLN 30 16.584 11.634 1.812 240 H SER 31 H SER 31 10.592 12.741 1.034 241 HA SER 31 HA SER 31 10.944 14.306 -1.556 242 HG SER 31 HG SER 31 13.069 10.880 -0.797 243 HB2 SER 31 1HB SER 31 12.129 12.217 -2.431 244 HB3 SER 31 2HB SER 31 12.991 13.161 -1.212 245 H LYS 32 H LYS 32 9.001 14.394 -2.308 246 HA LYS 32 HA LYS 32 6.839 12.654 -2.137 247 HB2 LYS 32 1HB LYS 32 5.745 13.971 -3.826 248 HB3 LYS 32 2HB LYS 32 6.768 15.015 -2.869 249 HG2 LYS 32 1HG LYS 32 8.551 14.820 -4.807 250 HG3 LYS 32 2HG LYS 32 7.305 13.985 -5.736 251 HD2 LYS 32 1HD LYS 32 5.806 16.115 -5.303 252 HD3 LYS 32 2HD LYS 32 7.270 16.891 -4.723 253 HE2 LYS 32 1HE LYS 32 6.831 15.687 -7.542 254 HE3 LYS 32 2HE LYS 32 6.754 17.395 -7.116 255 HZ1 LYS 32 3HZ LYS 32 9.205 17.262 -6.401 256 HZ2 LYS 32 1HZ LYS 32 9.275 15.711 -6.952 257 HZ3 LYS 32 2HZ LYS 32 8.996 16.952 -8.015 258 H GLN 33 H GLN 33 9.108 12.550 -4.753 259 HA GLN 33 HA GLN 33 7.849 10.245 -6.167 260 HB2 GLN 33 1HB GLN 33 9.784 10.235 -7.653 261 HB3 GLN 33 2HB GLN 33 8.902 11.733 -7.600 262 HG2 GLN 33 1HG GLN 33 11.577 11.305 -6.095 263 HG3 GLN 33 2HG GLN 33 11.468 11.827 -7.765 264 HE21 GLN 33 1HE2 GLN 33 12.251 13.191 -5.064 265 HE22 GLN 33 2HE2 GLN 33 11.399 14.820 -5.281 266 H GLN 34 H GLN 34 10.070 10.337 -3.510 267 HA GLN 34 HA GLN 34 10.930 7.463 -3.923 268 HB2 GLN 34 1HB GLN 34 11.324 9.304 -1.496 269 HB3 GLN 34 2HB GLN 34 11.831 7.627 -1.569 270 HG2 GLN 34 1HG GLN 34 13.233 8.208 -3.694 271 HG3 GLN 34 2HG GLN 34 12.859 9.893 -3.402 272 HE21 GLN 34 1HE2 GLN 34 14.861 7.286 -2.464 273 HE22 GLN 34 2HE2 GLN 34 15.640 8.145 -1.044 274 H VAL 35 H VAL 35 8.594 9.156 -1.699 275 HA VAL 35 HA VAL 35 7.603 6.583 -0.629 276 HB VAL 35 HB VAL 35 7.428 8.731 0.597 277 HG11 VAL 35 1HG1 VAL 35 6.505 10.265 -1.199 278 HG12 VAL 35 2HG1 VAL 35 4.972 9.385 -1.170 279 HG13 VAL 35 3HG1 VAL 35 5.521 10.259 0.274 280 HG21 VAL 35 3HG2 VAL 35 6.132 6.695 1.280 281 HG22 VAL 35 1HG2 VAL 35 5.294 8.199 1.705 282 HG23 VAL 35 2HG2 VAL 35 4.747 7.239 0.310 283 H SER 36 H SER 36 6.448 8.595 -3.330 284 HA SER 36 HA SER 36 4.248 6.737 -4.059 285 HG SER 36 HG SER 36 5.453 9.514 -6.730 286 HB2 SER 36 1HB SER 36 3.980 8.043 -6.048 287 HB3 SER 36 2HB SER 36 4.264 9.158 -4.708 288 H ALA 37 H ALA 37 7.655 6.852 -5.142 289 HA ALA 37 HA ALA 37 7.296 4.529 -6.968 290 HB1 ALA 37 3HB ALA 37 9.818 4.442 -6.948 291 HB2 ALA 37 1HB ALA 37 9.226 6.093 -7.206 292 HB3 ALA 37 2HB ALA 37 9.853 5.617 -5.610 293 H LEU 38 H LEU 38 8.316 4.699 -3.536 294 HA LEU 38 HA LEU 38 8.533 1.764 -3.144 295 HG LEU 38 HG LEU 38 9.976 1.657 -1.097 296 HB2 LEU 38 1HB LEU 38 8.181 4.173 -1.268 297 HB3 LEU 38 2HB LEU 38 7.741 2.606 -0.644 298 HD11 LEU 38 1HD1 LEU 38 10.819 3.240 -2.916 299 HD12 LEU 38 2HD1 LEU 38 10.858 4.562 -1.735 300 HD13 LEU 38 3HD1 LEU 38 11.920 3.154 -1.529 301 HD21 LEU 38 3HD2 LEU 38 11.053 2.849 0.822 302 HD22 LEU 38 1HD2 LEU 38 9.901 4.204 0.657 303 HD23 LEU 38 2HD2 LEU 38 9.333 2.579 1.133 304 H LEU 39 H LEU 39 5.725 3.906 -2.749 305 HA LEU 39 HA LEU 39 3.817 1.643 -2.339 306 HG LEU 39 HG LEU 39 4.254 4.056 -0.706 307 HB2 LEU 39 1HB LEU 39 3.502 4.598 -3.159 308 HB3 LEU 39 2HB LEU 39 2.118 3.565 -2.890 309 HD11 LEU 39 1HD1 LEU 39 3.209 6.230 -1.313 310 HD12 LEU 39 2HD1 LEU 39 1.577 5.522 -1.160 311 HD13 LEU 39 3HD1 LEU 39 2.610 5.659 0.269 312 HD21 LEU 39 3HD2 LEU 39 1.331 3.119 -0.397 313 HD22 LEU 39 1HD2 LEU 39 2.711 1.988 -0.409 314 HD23 LEU 39 2HD2 LEU 39 2.573 3.214 0.846 315 H GLY 40 H GLY 40 4.890 3.335 -5.237 316 HA2 GLY 40 1HA GLY 40 4.841 2.330 -7.507 317 HA3 GLY 40 2HA GLY 40 3.624 1.183 -6.999 318 H THR 41 H THR 41 4.029 4.720 -7.414 319 HA THR 41 HA THR 41 1.547 4.784 -9.160 320 HB THR 41 HB THR 41 1.719 6.392 -6.535 321 HG1 THR 41 HG1 THR 41 0.939 3.963 -7.062 322 HG21 THR 41 3HG2 THR 41 -0.586 6.281 -8.610 323 HG22 THR 41 1HG2 THR 41 -0.677 7.004 -7.007 324 HG23 THR 41 2HG2 THR 41 0.389 7.718 -8.223 325 HA PRO 42 HA PRO 42 4.050 8.244 -10.998 326 HB2 PRO 42 1HB PRO 42 2.303 9.068 -12.998 327 HB3 PRO 42 2HB PRO 42 3.242 7.561 -13.064 328 HG2 PRO 42 1HG PRO 42 0.328 7.886 -12.118 329 HG3 PRO 42 2HG PRO 42 0.938 6.746 -13.348 330 HD2 PRO 42 1HD PRO 42 0.559 5.987 -10.719 331 HD3 PRO 42 2HD PRO 42 1.942 5.321 -11.644 332 H SER 43 H SER 43 4.129 10.460 -10.720 333 HA SER 43 HA SER 43 2.316 11.295 -8.428 334 HG SER 43 HG SER 43 4.178 9.560 -8.440 335 HB2 SER 43 1HB SER 43 5.324 11.782 -8.940 336 HB3 SER 43 2HB SER 43 4.453 12.154 -7.448 337 H ILE 44 H ILE 44 3.805 13.813 -8.205 338 HA ILE 44 HA ILE 44 2.219 15.531 -10.220 339 HB ILE 44 HB ILE 44 2.429 16.017 -7.176 340 HG12 ILE 44 1HG1 ILE 44 -0.179 15.735 -8.778 341 HG13 ILE 44 2HG1 ILE 44 0.612 14.296 -8.165 342 HG21 ILE 44 1HG2 ILE 44 2.553 18.200 -8.409 343 HG22 ILE 44 2HG2 ILE 44 1.142 17.761 -9.390 344 HG23 ILE 44 3HG2 ILE 44 0.977 18.045 -7.640 345 HD11 ILE 44 3HD1 ILE 44 -1.112 15.229 -6.552 346 HD12 ILE 44 1HD1 ILE 44 0.511 15.056 -5.832 347 HD13 ILE 44 2HD1 ILE 44 -0.074 16.649 -6.303 348 HA PRO 45 HA PRO 45 6.813 16.463 -10.005 349 HB2 PRO 45 1HB PRO 45 7.518 16.321 -12.654 350 HB3 PRO 45 2HB PRO 45 7.011 14.888 -11.730 351 HG2 PRO 45 1HG PRO 45 5.220 16.647 -13.536 352 HG3 PRO 45 2HG PRO 45 5.466 14.883 -13.675 353 HD2 PRO 45 1HD PRO 45 3.319 15.931 -12.243 354 HD3 PRO 45 2HD PRO 45 4.150 14.448 -11.694 355 H ASP 46 H ASP 46 5.466 18.476 -9.351 356 HA ASP 46 HA ASP 46 6.007 20.853 -11.126 357 HB2 ASP 46 1HB ASP 46 4.275 20.485 -8.624 358 HB3 ASP 46 2HB ASP 46 4.585 22.055 -9.332 359 HA PRO 47 HA PRO 47 9.432 22.046 -8.174 360 HB2 PRO 47 1HB PRO 47 10.773 23.832 -9.804 361 HB3 PRO 47 2HB PRO 47 10.855 22.070 -10.010 362 HG2 PRO 47 1HG PRO 47 9.027 24.029 -11.531 363 HG3 PRO 47 2HG PRO 47 10.111 22.800 -12.233 364 HD2 PRO 47 1HD PRO 47 7.393 22.341 -11.804 365 HD3 PRO 47 2HD PRO 47 8.571 21.003 -11.667 366 H PHE 48 H PHE 48 6.918 24.004 -9.484 367 HA PHE 48 HA PHE 48 7.547 26.419 -7.776 368 HD1 PHE 48 HD1 PHE 48 7.171 28.914 -9.166 369 HD2 PHE 48 HD2 PHE 48 3.397 27.053 -8.238 370 HE1 PHE 48 HE1 PHE 48 6.261 31.092 -8.461 371 HE2 PHE 48 HE2 PHE 48 2.501 29.237 -7.537 372 HZ PHE 48 HZ PHE 48 3.927 31.261 -7.644 373 HB2 PHE 48 1HB PHE 48 6.563 26.603 -10.076 374 HB3 PHE 48 2HB PHE 48 5.099 25.805 -9.554 375 H HIS 49 H HIS 49 4.684 24.206 -7.837 376 HA HIS 49 HA HIS 49 4.822 23.969 -4.863 377 HD1 HIS 49 HD1 HIS 49 3.739 23.485 -2.758 378 HD2 HIS 49 HD2 HIS 49 0.765 26.278 -4.043 379 HE1 HIS 49 HE1 HIS 49 2.032 23.847 -0.920 380 HB2 HIS 49 1HB HIS 49 3.632 26.138 -5.164 381 HB3 HIS 49 2HB HIS 49 2.318 25.307 -5.987 382 H ALA 50 H ALA 50 5.246 21.828 -5.628 383 HA ALA 50 HA ALA 50 3.120 20.108 -6.707 384 HB1 ALA 50 3HB ALA 50 5.490 19.530 -6.873 385 HB2 ALA 50 1HB ALA 50 5.652 19.398 -5.108 386 HB3 ALA 50 2HB ALA 50 4.614 18.277 -6.003 387 H GLN 51 H GLN 51 1.317 20.433 -5.625 388 HA GLN 51 HA GLN 51 0.984 20.228 -2.685 389 HB2 GLN 51 1HB GLN 51 -1.000 20.447 -5.048 390 HB3 GLN 51 2HB GLN 51 -1.513 20.582 -3.389 391 HG2 GLN 51 1HG GLN 51 -0.532 22.641 -2.961 392 HG3 GLN 51 2HG GLN 51 0.742 22.478 -4.133 393 HE21 GLN 51 1HE2 GLN 51 0.392 23.175 -6.237 394 HE22 GLN 51 2HE2 GLN 51 -1.186 24.016 -6.706 395 H ARG 52 H ARG 52 -1.348 18.939 -2.247 396 HA ARG 52 HA ARG 52 -0.330 16.378 -1.589 397 HE ARG 52 HE ARG 52 -6.419 17.401 -2.143 398 HB2 ARG 52 1HB ARG 52 -2.256 15.996 -0.392 399 HB3 ARG 52 2HB ARG 52 -2.066 17.714 -0.352 400 HG2 ARG 52 1HG ARG 52 -3.969 16.016 -2.038 401 HG3 ARG 52 2HG ARG 52 -4.410 16.800 -0.536 402 HD2 ARG 52 1HD ARG 52 -4.434 19.014 -1.594 403 HD3 ARG 52 2HD ARG 52 -3.628 18.429 -3.044 404 HH11 ARG 52 2HH2 ARG 52 -4.241 18.031 -4.776 405 HH12 ARG 52 1HH2 ARG 52 -5.404 17.273 -5.968 406 HH21 ARG 52 2HH1 ARG 52 -7.535 16.385 -3.443 407 HH22 ARG 52 1HH1 ARG 52 -7.247 16.526 -5.244 408 H TRP 53 H TRP 53 -0.844 14.304 -2.055 409 HA TRP 53 HA TRP 53 -1.932 13.612 -4.843 410 HD1 TRP 53 HD1 TRP 53 -2.740 10.727 -5.343 411 HE1 TRP 53 HE1 TRP 53 -2.456 8.126 -5.385 412 HE3 TRP 53 HE3 TRP 53 1.866 10.573 -3.074 413 HZ2 TRP 53 HZ2 TRP 53 -0.379 6.345 -4.530 414 HZ3 TRP 53 HZ3 TRP 53 2.911 8.364 -2.661 415 HH2 TRP 53 HH2 TRP 53 1.815 6.297 -3.399 416 HB2 TRP 53 1HB TRP 53 0.226 12.728 -4.713 417 HB3 TRP 53 2HB TRP 53 0.094 12.275 -3.024 418 H ASP 54 H ASP 54 -4.000 13.648 -4.440 419 HA ASP 54 HA ASP 54 -5.334 12.047 -2.150 420 HB2 ASP 54 1HB ASP 54 -5.127 14.360 -1.681 421 HB3 ASP 54 2HB ASP 54 -5.714 14.854 -3.259 422 H TYR 55 H TYR 55 -5.049 10.600 -4.236 423 HA TYR 55 HA TYR 55 -7.499 10.803 -6.070 424 HD1 TYR 55 HD2 TYR 55 -7.488 12.348 -8.273 425 HD2 TYR 55 HD1 TYR 55 -3.576 12.588 -6.491 426 HE1 TYR 55 HE2 TYR 55 -7.551 14.792 -8.452 427 HE2 TYR 55 HE1 TYR 55 -3.676 15.019 -6.589 428 HH TYR 55 HH TYR 55 -6.249 16.683 -8.331 429 HB2 TYR 55 1HB TYR 55 -4.533 10.383 -6.879 430 HB3 TYR 55 2HB TYR 55 -5.880 10.241 -7.984 431 H THR 56 H THR 56 -8.367 9.036 -6.906 432 HA THR 56 HA THR 56 -7.766 6.396 -5.683 433 HB THR 56 HB THR 56 -9.838 7.015 -7.871 434 HG1 THR 56 HG1 THR 56 -9.872 7.498 -5.073 435 HG21 THR 56 3HG2 THR 56 -11.124 5.179 -6.761 436 HG22 THR 56 1HG2 THR 56 -9.563 4.551 -7.323 437 HG23 THR 56 2HG2 THR 56 -9.812 4.907 -5.596 438 H SER 57 H SER 57 -5.676 6.135 -6.519 439 HA SER 57 HA SER 57 -5.210 5.388 -9.392 440 HG SER 57 HG SER 57 -3.994 5.224 -6.036 441 HB2 SER 57 1HB SER 57 -2.879 5.089 -8.662 442 HB3 SER 57 2HB SER 57 -3.534 6.604 -8.058 443 H THR 58 H THR 58 -4.176 3.316 -9.990 444 HA THR 58 HA THR 58 -4.531 0.987 -8.226 445 HB THR 58 HB THR 58 -6.862 1.210 -8.987 446 HG1 THR 58 HG1 THR 58 -5.870 -0.804 -8.456 447 HG21 THR 58 3HG2 THR 58 -5.876 0.477 -11.818 448 HG22 THR 58 1HG2 THR 58 -7.564 0.487 -11.258 449 HG23 THR 58 2HG2 THR 58 -6.647 2.008 -11.350 450 H GLN 59 H GLN 59 -3.631 -0.893 -8.869 451 HA GLN 59 HA GLN 59 -2.376 -1.208 -11.564 452 HB2 GLN 59 1HB GLN 59 -0.135 -1.677 -10.955 453 HB3 GLN 59 2HB GLN 59 -0.526 -0.127 -10.251 454 HG2 GLN 59 1HG GLN 59 -0.770 -1.164 -7.980 455 HG3 GLN 59 2HG GLN 59 -0.555 -2.770 -8.607 456 HE21 GLN 59 1HE2 GLN 59 1.551 -3.436 -9.259 457 HE22 GLN 59 2HE2 GLN 59 3.007 -2.449 -8.709 458 H ARG 60 H ARG 60 -1.260 -3.495 -11.637 459 HA ARG 60 HA ARG 60 -2.924 -5.531 -10.059 460 HE ARG 60 HE ARG 60 -0.955 -8.649 -13.570 461 HB2 ARG 60 1HB ARG 60 -2.861 -5.819 -12.558 462 HB3 ARG 60 2HB ARG 60 -1.136 -6.146 -12.495 463 HG2 ARG 60 1HG ARG 60 -3.069 -7.732 -10.686 464 HG3 ARG 60 2HG ARG 60 -3.112 -8.067 -12.388 465 HD2 ARG 60 1HD ARG 60 -0.415 -8.206 -10.857 466 HD3 ARG 60 2HD ARG 60 -1.611 -9.488 -10.740 467 HH11 ARG 60 2HH2 ARG 60 -0.082 -10.912 -11.020 468 HH12 ARG 60 1HH2 ARG 60 0.285 -12.212 -12.235 469 HH21 ARG 60 2HH1 ARG 60 -0.380 -10.126 -14.903 470 HH22 ARG 60 1HH1 ARG 60 0.234 -11.732 -14.305 471 H VAL 61 H VAL 61 -1.970 -6.142 -8.261 472 HA VAL 61 HA VAL 61 0.957 -5.854 -7.805 473 HB VAL 61 HB VAL 61 -0.721 -4.758 -6.436 474 HG11 VAL 61 1HG1 VAL 61 -1.458 -7.464 -5.127 475 HG12 VAL 61 2HG1 VAL 61 -2.017 -5.826 -4.706 476 HG13 VAL 61 3HG1 VAL 61 -2.530 -6.560 -6.226 477 HG21 VAL 61 3HG2 VAL 61 0.313 -5.176 -4.232 478 HG22 VAL 61 1HG2 VAL 61 1.055 -6.679 -4.831 479 HG23 VAL 61 2HG2 VAL 61 1.506 -5.109 -5.538 480 H ASP 62 H ASP 62 -1.325 -8.547 -7.512 481 HA ASP 62 HA ASP 62 0.612 -10.295 -6.146 482 HB2 ASP 62 1HB ASP 62 -1.941 -10.056 -5.900 483 HB3 ASP 62 2HB ASP 62 -2.137 -10.909 -7.431 484 H ARG 63 H ARG 63 0.732 -12.579 -6.868 485 HA ARG 63 HA ARG 63 1.959 -12.969 -9.576 486 HE ARG 63 HE ARG 63 -0.274 -14.261 -5.751 487 HB2 ARG 63 1HB ARG 63 2.570 -15.090 -9.100 488 HB3 ARG 63 2HB ARG 63 3.011 -14.140 -7.721 489 HG2 ARG 63 1HG ARG 63 0.463 -15.919 -7.687 490 HG3 ARG 63 2HG ARG 63 2.047 -16.599 -7.607 491 HD2 ARG 63 1HD ARG 63 1.778 -16.541 -5.423 492 HD3 ARG 63 2HD ARG 63 2.434 -14.913 -5.522 493 HH11 ARG 63 2HH2 ARG 63 1.050 -16.732 -3.542 494 HH12 ARG 63 1HH2 ARG 63 -0.341 -16.294 -2.387 495 HH21 ARG 63 2HH1 ARG 63 -1.549 -13.825 -4.272 496 HH22 ARG 63 1HH1 ARG 63 -1.664 -14.936 -2.776 497 H LEU 64 H LEU 64 -1.133 -13.711 -8.039 498 HA LEU 64 HA LEU 64 -2.327 -14.774 -10.624 499 HG LEU 64 HG LEU 64 -4.322 -16.523 -7.870 500 HB2 LEU 64 1HB LEU 64 -3.329 -14.349 -7.725 501 HB3 LEU 64 2HB LEU 64 -4.496 -14.473 -8.992 502 HD11 LEU 64 1HD1 LEU 64 -4.892 -16.592 -10.313 503 HD12 LEU 64 2HD1 LEU 64 -3.190 -16.922 -10.717 504 HD13 LEU 64 3HD1 LEU 64 -4.121 -18.087 -9.760 505 HD21 LEU 64 3HD2 LEU 64 -2.393 -18.033 -7.855 506 HD22 LEU 64 1HD2 LEU 64 -1.400 -16.885 -8.778 507 HD23 LEU 64 2HD2 LEU 64 -1.921 -16.487 -7.123 508 H ALA 65 H ALA 65 -4.446 -13.682 -11.179 509 HA ALA 65 HA ALA 65 -4.083 -10.760 -11.758 510 HB1 ALA 65 3HB ALA 65 -5.174 -12.263 -13.410 511 HB2 ALA 65 1HB ALA 65 -6.499 -12.615 -12.271 512 HB3 ALA 65 2HB ALA 65 -6.279 -10.973 -12.909 513 H ARG 66 H ARG 66 -4.551 -9.218 -10.298 514 HA ARG 66 HA ARG 66 -6.718 -9.359 -8.275 515 HE ARG 66 HE ARG 66 -6.213 -10.448 -3.236 516 HB2 ARG 66 1HB ARG 66 -4.744 -10.959 -7.481 517 HB3 ARG 66 2HB ARG 66 -3.855 -9.484 -7.152 518 HG2 ARG 66 1HG ARG 66 -5.748 -8.788 -5.514 519 HG3 ARG 66 2HG ARG 66 -6.567 -10.317 -5.907 520 HD2 ARG 66 1HD ARG 66 -4.294 -11.495 -5.309 521 HD3 ARG 66 2HD ARG 66 -3.784 -9.963 -4.588 522 HH11 ARG 66 2HH2 ARG 66 -3.245 -12.330 -3.682 523 HH12 ARG 66 1HH2 ARG 66 -3.738 -13.465 -2.286 524 HH21 ARG 66 2HH1 ARG 66 -6.512 -11.621 -1.528 525 HH22 ARG 66 1HH1 ARG 66 -5.385 -13.033 -1.179 526 H THR 67 H THR 67 -7.113 -7.417 -9.242 527 HA THR 67 HA THR 67 -5.390 -5.161 -9.519 528 HB THR 67 HB THR 67 -7.430 -3.713 -9.629 529 HG1 THR 67 HG1 THR 67 -8.544 -5.099 -8.044 530 HG21 THR 67 3HG2 THR 67 -8.525 -4.804 -11.580 531 HG22 THR 67 1HG2 THR 67 -6.754 -4.864 -11.704 532 HG23 THR 67 2HG2 THR 67 -7.663 -6.323 -11.252 533 H GLU 68 H GLU 68 -4.480 -3.852 -8.171 534 HA GLU 68 HA GLU 68 -5.125 -3.746 -5.220 535 HB2 GLU 68 1HB GLU 68 -2.786 -3.987 -6.303 536 HB3 GLU 68 2HB GLU 68 -2.901 -2.325 -6.840 537 HG2 GLU 68 1HG GLU 68 -3.128 -1.644 -4.334 538 HG3 GLU 68 2HG GLU 68 -2.986 -3.338 -3.922 539 H ILE 69 H ILE 69 -6.875 -2.431 -4.851 540 HA ILE 69 HA ILE 69 -7.371 0.090 -6.367 541 HB ILE 69 HB ILE 69 -8.887 -0.932 -3.875 542 HG12 ILE 69 1HG1 ILE 69 -10.619 -1.432 -6.002 543 HG13 ILE 69 2HG1 ILE 69 -9.109 -1.740 -6.828 544 HG21 ILE 69 1HG2 ILE 69 -9.315 1.487 -4.386 545 HG22 ILE 69 2HG2 ILE 69 -9.713 1.089 -6.076 546 HG23 ILE 69 3HG2 ILE 69 -10.733 0.493 -4.744 547 HD11 ILE 69 3HD1 ILE 69 -8.554 -3.497 -5.007 548 HD12 ILE 69 1HD1 ILE 69 -10.107 -3.112 -4.228 549 HD13 ILE 69 2HD1 ILE 69 -10.072 -3.817 -5.856 550 H LYS 70 H LYS 70 -6.329 1.970 -5.882 551 HA LYS 70 HA LYS 70 -4.921 2.203 -3.157 552 HB2 LYS 70 1HB LYS 70 -3.904 2.914 -5.962 553 HB3 LYS 70 2HB LYS 70 -3.020 3.171 -4.471 554 HG2 LYS 70 1HG LYS 70 -2.889 0.683 -4.100 555 HG3 LYS 70 2HG LYS 70 -3.946 0.404 -5.454 556 HD2 LYS 70 1HD LYS 70 -1.961 -0.068 -6.377 557 HD3 LYS 70 2HD LYS 70 -2.246 1.519 -7.024 558 HE2 LYS 70 1HE LYS 70 -0.434 2.506 -5.913 559 HE3 LYS 70 2HE LYS 70 -0.709 1.624 -4.423 560 HZ1 LYS 70 3HZ LYS 70 0.708 0.492 -6.835 561 HZ2 LYS 70 1HZ LYS 70 1.296 0.679 -5.313 562 HZ3 LYS 70 2HZ LYS 70 0.101 -0.483 -5.642 563 H ASN 71 H ASN 71 -6.893 3.420 -2.652 564 HA ASN 71 HA ASN 71 -6.800 6.334 -3.570 565 HB2 ASN 71 1HB ASN 71 -9.031 5.044 -3.249 566 HB3 ASN 71 2HB ASN 71 -8.789 5.194 -1.520 567 HD21 ASN 71 1HD2 ASN 71 -9.409 7.163 -0.591 568 HD22 ASN 71 2HD2 ASN 71 -9.819 8.639 -1.634 569 H PHE 72 H PHE 72 -4.969 7.002 -2.785 570 HA PHE 72 HA PHE 72 -4.444 6.983 0.249 571 HD1 PHE 72 HD2 PHE 72 -2.674 5.723 1.481 572 HD2 PHE 72 HD1 PHE 72 -0.396 8.122 -1.269 573 HE1 PHE 72 HE2 PHE 72 -0.801 5.762 3.069 574 HE2 PHE 72 HE1 PHE 72 1.469 8.171 0.337 575 HZ PHE 72 HZ PHE 72 1.293 6.962 2.490 576 HB2 PHE 72 1HB PHE 72 -2.882 5.634 -1.251 577 HB3 PHE 72 2HB PHE 72 -2.412 7.105 -2.073 578 H THR 73 H THR 73 -4.676 8.881 1.166 579 HA THR 73 HA THR 73 -4.350 11.451 -0.471 580 HB THR 73 HB THR 73 -6.131 11.023 1.941 581 HG1 THR 73 HG1 THR 73 -7.018 12.175 -0.413 582 HG21 THR 73 3HG2 THR 73 -6.803 13.431 1.456 583 HG22 THR 73 1HG2 THR 73 -5.099 13.371 1.975 584 HG23 THR 73 2HG2 THR 73 -5.489 13.530 0.260 585 H VAL 74 H VAL 74 -2.324 11.884 -0.324 586 HA VAL 74 HA VAL 74 -1.002 12.154 2.420 587 HB VAL 74 HB VAL 74 -0.034 10.258 1.383 588 HG11 VAL 74 1HG1 VAL 74 1.385 10.350 -0.678 589 HG12 VAL 74 2HG1 VAL 74 -0.314 10.681 -1.072 590 HG13 VAL 74 3HG1 VAL 74 0.852 12.019 -0.989 591 HG21 VAL 74 3HG2 VAL 74 1.504 11.900 2.710 592 HG22 VAL 74 1HG2 VAL 74 2.344 10.807 1.584 593 HG23 VAL 74 2HG2 VAL 74 2.062 12.509 1.144 594 H PHE 75 H PHE 75 -0.185 14.015 2.884 595 HA PHE 75 HA PHE 75 -0.528 16.340 0.962 596 HD1 PHE 75 HD1 PHE 75 -2.409 14.872 4.003 597 HD2 PHE 75 HD2 PHE 75 -2.051 18.671 2.017 598 HE1 PHE 75 HE1 PHE 75 -4.873 15.045 3.867 599 HE2 PHE 75 HE2 PHE 75 -4.507 18.822 1.872 600 HZ PHE 75 HZ PHE 75 -5.921 17.006 2.792 601 HB2 PHE 75 1HB PHE 75 -0.178 16.159 4.016 602 HB3 PHE 75 2HB PHE 75 -0.075 17.682 3.167 603 H PHE 76 H PHE 76 1.025 17.355 0.002 604 HA PHE 76 HA PHE 76 3.945 16.967 0.846 605 HD1 PHE 76 HD1 PHE 76 4.939 14.950 0.087 606 HD2 PHE 76 HD2 PHE 76 2.288 15.539 -3.234 607 HE1 PHE 76 HE1 PHE 76 4.908 12.513 -0.333 608 HE2 PHE 76 HE2 PHE 76 2.356 13.122 -3.717 609 HZ PHE 76 HZ PHE 76 3.679 11.604 -2.250 610 HB2 PHE 76 1HB PHE 76 2.890 17.443 -2.009 611 HB3 PHE 76 2HB PHE 76 4.570 17.333 -1.553 612 H GLU 77 H GLU 77 5.222 18.762 0.960 613 HA GLU 77 HA GLU 77 3.874 21.481 1.000 614 HB2 GLU 77 1HB GLU 77 5.250 20.708 2.857 615 HB3 GLU 77 2HB GLU 77 6.660 20.487 1.828 616 HG2 GLU 77 1HG GLU 77 6.809 22.985 1.458 617 HG3 GLU 77 2HG GLU 77 5.336 23.227 2.395 618 H ASN 78 H ASN 78 6.956 20.489 -0.337 619 HA ASN 78 HA ASN 78 5.779 20.751 -3.045 620 HB2 ASN 78 1HB ASN 78 7.237 22.853 -2.843 621 HB3 ASN 78 2HB ASN 78 8.666 21.852 -2.752 622 HD21 ASN 78 1HD2 ASN 78 8.912 20.269 -4.817 623 HD22 ASN 78 2HD2 ASN 78 8.186 21.009 -6.330 624 H GLU 79 H GLU 79 9.066 19.930 -1.885 625 HA GLU 79 HA GLU 79 8.762 17.112 -2.925 626 HB2 GLU 79 1HB GLU 79 11.150 18.355 -1.420 627 HB3 GLU 79 2HB GLU 79 11.084 16.746 -2.113 628 HG2 GLU 79 1HG GLU 79 11.114 19.400 -3.661 629 HG3 GLU 79 2HG GLU 79 12.362 18.168 -3.590 630 H GLN 80 H GLN 80 8.676 18.699 0.260 631 HA GLN 80 HA GLN 80 9.292 16.059 1.548 632 HB2 GLN 80 1HB GLN 80 9.916 17.032 3.494 633 HB3 GLN 80 2HB GLN 80 10.526 18.063 2.241 634 HG2 GLN 80 1HG GLN 80 9.804 19.590 3.832 635 HG3 GLN 80 2HG GLN 80 8.494 19.643 2.686 636 HE21 GLN 80 1HE2 GLN 80 7.144 20.441 4.329 637 HE22 GLN 80 2HE2 GLN 80 6.539 19.331 5.687 638 H VAL 81 H VAL 81 8.130 14.982 2.955 639 HA VAL 81 HA VAL 81 5.210 15.046 2.284 640 HB VAL 81 HB VAL 81 6.698 12.807 3.763 641 HG11 VAL 81 1HG1 VAL 81 4.195 12.681 3.772 642 HG12 VAL 81 2HG1 VAL 81 4.173 12.836 1.999 643 HG13 VAL 81 3HG1 VAL 81 4.877 11.387 2.762 644 HG21 VAL 81 3HG2 VAL 81 6.921 11.652 1.494 645 HG22 VAL 81 1HG2 VAL 81 6.619 13.234 0.714 646 HG23 VAL 81 2HG2 VAL 81 8.011 13.014 1.742 647 H VAL 82 H VAL 82 3.721 15.751 3.611 648 HA VAL 82 HA VAL 82 4.418 16.464 6.459 649 HB VAL 82 HB VAL 82 1.900 17.130 4.804 650 HG11 VAL 82 1HG1 VAL 82 2.815 18.300 7.527 651 HG12 VAL 82 2HG1 VAL 82 1.444 18.875 6.548 652 HG13 VAL 82 3HG1 VAL 82 1.394 17.265 7.274 653 HG21 VAL 82 3HG2 VAL 82 3.957 18.281 3.880 654 HG22 VAL 82 1HG2 VAL 82 2.852 19.435 4.635 655 HG23 VAL 82 2HG2 VAL 82 4.327 18.927 5.493 656 H ARG 83 H ARG 83 1.604 14.749 5.009 657 HA ARG 83 HA ARG 83 1.692 12.651 7.075 658 HE ARG 83 HE ARG 83 -2.079 13.351 5.819 659 HB2 ARG 83 1HB ARG 83 -0.303 13.040 8.372 660 HB3 ARG 83 2HB ARG 83 0.842 14.330 8.568 661 HG2 ARG 83 1HG ARG 83 -0.814 15.782 8.300 662 HG3 ARG 83 2HG ARG 83 -0.780 15.488 6.586 663 HD2 ARG 83 1HD ARG 83 -2.569 13.965 8.619 664 HD3 ARG 83 2HD ARG 83 -3.058 15.398 7.690 665 HH11 ARG 83 2HH2 ARG 83 -4.869 13.859 7.920 666 HH12 ARG 83 1HH2 ARG 83 -5.893 12.850 6.730 667 HH21 ARG 83 2HH1 ARG 83 -3.458 12.313 4.520 668 HH22 ARG 83 1HH1 ARG 83 -5.181 12.119 5.136 669 H TRP 84 H TRP 84 0.274 10.939 6.772 670 HA TRP 84 HA TRP 84 -1.261 10.955 4.147 671 HD1 TRP 84 HD1 TRP 84 -0.179 6.744 5.621 672 HE1 TRP 84 HE1 TRP 84 1.983 5.691 6.712 673 HE3 TRP 84 HE3 TRP 84 3.065 10.554 4.458 674 HZ2 TRP 84 HZ2 TRP 84 4.659 6.574 7.050 675 HZ3 TRP 84 HZ3 TRP 84 5.431 10.351 5.148 676 HH2 TRP 84 HH2 TRP 84 6.223 8.405 6.408 677 HB2 TRP 84 1HB TRP 84 -0.374 8.780 3.576 678 HB3 TRP 84 2HB TRP 84 0.841 10.019 3.637 679 H GLU 85 H GLU 85 -2.916 9.672 3.811 680 HA GLU 85 HA GLU 85 -3.746 7.624 5.876 681 HB2 GLU 85 1HB GLU 85 -5.970 8.286 6.173 682 HB3 GLU 85 2HB GLU 85 -4.981 9.697 6.478 683 HG2 GLU 85 1HG GLU 85 -5.557 10.413 3.986 684 HG3 GLU 85 2HG GLU 85 -6.724 9.117 3.988 685 H GLY 86 H GLY 86 -4.595 5.849 5.041 686 HA2 GLY 86 1HA GLY 86 -5.127 5.661 2.005 687 HA3 GLY 86 2HA GLY 86 -4.253 4.477 2.930 688 H ASP 87 H ASP 87 -7.330 5.469 1.856 689 HA ASP 87 HA ASP 87 -8.584 2.962 3.060 690 HB2 ASP 87 1HB ASP 87 -10.680 3.571 2.206 691 HB3 ASP 87 2HB ASP 87 -10.029 4.882 3.151 692 H TYR 88 H TYR 88 -7.172 1.586 2.083 693 HA TYR 88 HA TYR 88 -7.350 1.203 -0.936 694 HD1 TYR 88 HD2 TYR 88 -5.239 0.824 2.401 695 HD2 TYR 88 HD1 TYR 88 -3.098 3.079 -0.603 696 HE1 TYR 88 HE2 TYR 88 -3.540 1.313 3.988 697 HE2 TYR 88 HE1 TYR 88 -1.322 3.511 1.041 698 HH TYR 88 HH TYR 88 -1.890 3.027 4.400 699 HB2 TYR 88 1HB TYR 88 -4.936 1.166 -1.159 700 HB3 TYR 88 2HB TYR 88 -5.651 2.705 -0.733 701 H PHE 89 H PHE 89 -6.739 -0.631 -1.790 702 HA PHE 89 HA PHE 89 -6.744 -2.966 -2.079 703 HD1 PHE 89 HD2 PHE 89 -5.666 -4.727 -3.090 704 HD2 PHE 89 HD1 PHE 89 -2.536 -3.860 -0.251 705 HE1 PHE 89 HE2 PHE 89 -4.572 -6.851 -3.627 706 HE2 PHE 89 HE1 PHE 89 -1.456 -5.982 -0.803 707 HZ PHE 89 HZ PHE 89 -2.481 -7.504 -2.480 708 HB2 PHE 89 1HB PHE 89 -4.499 -2.045 -2.087 709 HB3 PHE 89 2HB PHE 89 -4.319 -2.336 -0.367 710 HA PRO 90 HA PRO 90 -8.325 -5.268 1.660 711 HB2 PRO 90 1HB PRO 90 -10.598 -6.365 0.583 712 HB3 PRO 90 2HB PRO 90 -10.504 -4.658 1.055 713 HG2 PRO 90 1HG PRO 90 -10.155 -5.850 -1.759 714 HG3 PRO 90 2HG PRO 90 -11.217 -4.499 -1.282 715 HD2 PRO 90 1HD PRO 90 -8.621 -4.163 -2.345 716 HD3 PRO 90 2HD PRO 90 -9.366 -2.956 -1.254 717 H SER 91 H SER 91 -6.152 -6.011 0.675 718 HA SER 91 HA SER 91 -6.226 -8.866 1.209 719 HG SER 91 HG SER 91 -7.696 -8.915 -0.762 720 HB2 SER 91 1HB SER 91 -5.503 -8.239 -1.713 721 HB3 SER 91 2HB SER 91 -4.990 -9.712 -0.896 722 H GLN 92 H GLN 92 -5.093 -7.400 2.771 723 HA GLN 92 HA GLN 92 -2.125 -6.998 2.109 724 HB2 GLN 92 1HB GLN 92 -3.878 -5.900 4.372 725 HB3 GLN 92 2HB GLN 92 -2.124 -5.720 4.316 726 HG2 GLN 92 1HG GLN 92 -2.220 -4.569 2.111 727 HG3 GLN 92 2HG GLN 92 -3.947 -4.802 1.994 728 HE21 GLN 92 1HE2 GLN 92 -4.828 -2.811 2.178 729 HE22 GLN 92 2HE2 GLN 92 -4.246 -1.547 3.378 730 H ASP 93 H ASP 93 -1.350 -8.897 2.215 731 HA ASP 93 HA ASP 93 -0.376 -10.858 2.941 732 HB2 ASP 93 1HB ASP 93 -1.115 -10.150 5.802 733 HB3 ASP 93 2HB ASP 93 -0.550 -11.746 5.353 734 H GLU 94 H GLU 94 -1.589 -11.730 1.503 735 HA GLU 94 HA GLU 94 -3.385 -12.910 0.491 736 HB2 GLU 94 1HB GLU 94 -1.472 -14.317 1.594 737 HB3 GLU 94 2HB GLU 94 -2.674 -14.835 2.758 738 HG2 GLU 94 1HG GLU 94 -2.499 -16.521 1.038 739 HG3 GLU 94 2HG GLU 94 -4.074 -15.783 0.819 740 H GLN 95 H GLN 95 -4.756 -11.180 1.722 741 HA GLN 95 HA GLN 95 -6.939 -12.442 3.430 742 HB2 GLN 95 1HB GLN 95 -5.376 -11.043 4.500 743 HB3 GLN 95 2HB GLN 95 -5.439 -9.759 3.338 744 HG2 GLN 95 1HG GLN 95 -7.912 -10.439 5.048 745 HG3 GLN 95 2HG GLN 95 -6.545 -9.574 5.714 746 HE21 GLN 95 1HE2 GLN 95 -9.441 -8.940 4.596 747 HE22 GLN 95 2HE2 GLN 95 -9.110 -7.299 3.842 748 H LEU 96 H LEU 96 -7.824 -13.053 1.354 749 HA LEU 96 HA LEU 96 -8.939 -11.127 -0.488 750 HG LEU 96 HG LEU 96 -11.055 -12.774 -1.994 751 HB2 LEU 96 1HB LEU 96 -8.251 -13.536 -0.946 752 HB3 LEU 96 2HB LEU 96 -9.751 -14.068 -0.205 753 HD11 LEU 96 1HD1 LEU 96 -9.284 -11.110 -2.728 754 HD12 LEU 96 2HD1 LEU 96 -8.270 -12.448 -3.326 755 HD13 LEU 96 3HD1 LEU 96 -9.838 -12.103 -4.079 756 HD21 LEU 96 3HD2 LEU 96 -9.064 -14.928 -2.986 757 HD22 LEU 96 1HD2 LEU 96 -10.612 -15.232 -2.164 758 HD23 LEU 96 2HD2 LEU 96 -10.598 -14.481 -3.767 759 H ALA 97 H ALA 97 -10.027 -9.772 1.098 760 HA ALA 97 HA ALA 97 -12.899 -10.450 1.693 761 HB1 ALA 97 3HB ALA 97 -11.253 -7.901 2.225 762 HB2 ALA 97 1HB ALA 97 -12.897 -8.217 2.818 763 HB3 ALA 97 2HB ALA 97 -11.556 -9.249 3.350 764 H LYS 98 H LYS 98 -13.765 -10.712 -0.344 765 HA LYS 98 HA LYS 98 -13.614 -8.626 -2.448 766 HB2 LYS 98 1HB LYS 98 -13.859 -11.236 -2.654 767 HB3 LYS 98 2HB LYS 98 -15.573 -11.002 -2.409 768 HG2 LYS 98 1HG LYS 98 -13.781 -9.985 -4.707 769 HG3 LYS 98 2HG LYS 98 -14.942 -11.277 -4.736 770 HD2 LYS 98 1HD LYS 98 -16.378 -9.850 -5.675 771 HD3 LYS 98 2HD LYS 98 -16.694 -9.244 -4.061 772 HE2 LYS 98 1HE LYS 98 -14.767 -7.491 -4.469 773 HE3 LYS 98 2HE LYS 98 -14.649 -8.113 -6.117 774 HZ1 LYS 98 3HZ LYS 98 -17.020 -6.715 -4.859 775 HZ2 LYS 98 1HZ LYS 98 -16.206 -6.262 -6.211 776 HZ3 LYS 98 2HZ LYS 98 -17.192 -7.579 -6.259 777 H ALA 99 H ALA 99 -14.532 -6.740 -1.713 778 HA ALA 99 HA ALA 99 -16.946 -6.333 -0.344 779 HB1 ALA 99 3HB ALA 99 -15.631 -4.413 -2.374 780 HB2 ALA 99 1HB ALA 99 -16.769 -3.955 -1.091 781 HB3 ALA 99 2HB ALA 99 -15.188 -4.624 -0.663 782 H ALA 100 H ALA 100 -18.784 -7.259 -0.936 783 HA ALA 100 HA ALA 100 -19.946 -6.994 -3.724 784 HB1 ALA 100 3HB ALA 100 -21.393 -8.869 -2.996 785 HB2 ALA 100 1HB ALA 100 -19.681 -9.231 -2.701 786 HB3 ALA 100 2HB ALA 100 -20.745 -8.783 -1.346 787 HA PRO 101 HA PRO 101 -22.720 -3.907 -1.589 788 HB2 PRO 101 1HB PRO 101 -23.267 -2.200 -3.658 789 HB3 PRO 101 2HB PRO 101 -21.660 -2.326 -2.908 790 HG2 PRO 101 1HG PRO 101 -22.623 -3.743 -5.474 791 HG3 PRO 101 2HG PRO 101 -21.169 -2.724 -5.295 792 HD2 PRO 101 1HD PRO 101 -21.069 -5.499 -5.077 793 HD3 PRO 101 2HD PRO 101 -19.989 -4.460 -4.093 794 H LYS 102 H LYS 102 -23.918 -6.064 -1.530 795 HA LYS 102 HA LYS 102 -26.439 -6.241 -3.126 796 HB2 LYS 102 1HB LYS 102 -25.382 -8.224 -2.110 797 HB3 LYS 102 2HB LYS 102 -25.644 -7.588 -0.481 798 HG2 LYS 102 1HG LYS 102 -28.177 -7.627 -0.915 799 HG3 LYS 102 2HG LYS 102 -27.873 -8.344 -2.500 800 HD2 LYS 102 1HD LYS 102 -26.834 -10.371 -1.413 801 HD3 LYS 102 2HD LYS 102 -26.872 -9.581 0.154 802 HE2 LYS 102 1HE LYS 102 -28.682 -11.105 0.216 803 HE3 LYS 102 2HE LYS 102 -29.402 -9.502 0.126 804 HZ1 LYS 102 3HZ LYS 102 -29.063 -11.371 -2.242 805 HZ2 LYS 102 1HZ LYS 102 -30.493 -11.072 -1.486 806 HZ3 LYS 102 2HZ LYS 102 -29.742 -9.885 -2.341 807 H GLN 103 H GLN 103 -27.410 -4.228 -2.976 808 HA GLN 103 HA GLN 103 -28.142 -2.968 -0.399 809 HB2 GLN 103 1HB GLN 103 -29.294 -2.281 -3.161 810 HB3 GLN 103 2HB GLN 103 -29.296 -1.273 -1.730 811 HG2 GLN 103 1HG GLN 103 -26.864 -2.074 -3.438 812 HG3 GLN 103 2HG GLN 103 -27.689 -0.530 -3.405 813 HE21 GLN 103 1HE2 GLN 103 -25.233 -0.184 -3.196 814 HE22 GLN 103 2HE2 GLN 103 -24.725 0.121 -1.448 815 H PHE 104 H PHE 104 -29.096 -5.090 0.260 816 HA PHE 104 HA PHE 104 -32.040 -4.881 0.558 817 HD1 PHE 104 HD1 PHE 104 -34.279 -5.550 -1.294 818 HD2 PHE 104 HD2 PHE 104 -32.280 -9.003 0.335 819 HE1 PHE 104 HE1 PHE 104 -36.456 -6.604 -0.833 820 HE2 PHE 104 HE2 PHE 104 -34.467 -10.046 0.784 821 HZ PHE 104 HZ PHE 104 -36.558 -8.852 0.205 822 HB2 PHE 104 1HB PHE 104 -31.846 -5.954 -1.746 823 HB3 PHE 104 2HB PHE 104 -30.995 -7.312 -1.045 824 H GLY 105 H GLY 105 -31.150 -4.701 2.578 825 HA2 GLY 105 1HA GLY 105 -31.011 -5.965 4.851 826 HA3 GLY 105 2HA GLY 105 -30.067 -7.198 4.033 827 H ARG 106 H ARG 106 -28.183 -6.171 2.751 828 HA ARG 106 HA ARG 106 -26.574 -4.303 4.551 829 HE ARG 106 HE ARG 106 -21.612 -4.315 1.381 830 HB2 ARG 106 1HB ARG 106 -25.546 -6.361 3.829 831 HB3 ARG 106 2HB ARG 106 -25.884 -6.082 2.139 832 HG2 ARG 106 1HG ARG 106 -24.221 -3.882 3.381 833 HG3 ARG 106 2HG ARG 106 -23.495 -5.464 3.567 834 HD2 ARG 106 1HD ARG 106 -23.424 -5.906 1.191 835 HD3 ARG 106 2HD ARG 106 -24.544 -4.634 0.780 836 HH11 ARG 106 2HH2 ARG 106 -24.643 -2.578 1.067 837 HH12 ARG 106 1HH2 ARG 106 -23.763 -1.024 0.642 838 HH21 ARG 106 2HH1 ARG 106 -20.678 -2.532 0.919 839 HH22 ARG 106 1HH1 ARG 106 -21.609 -1.031 0.535 840 H ASN 107 H ASN 107 -28.309 -2.774 4.038 841 HA ASN 107 HA ASN 107 -28.164 -1.303 1.408 842 HB2 ASN 107 1HB ASN 107 -29.926 -0.969 3.907 843 HB3 ASN 107 2HB ASN 107 -29.934 0.218 2.634 844 HD21 ASN 107 1HD2 ASN 107 -30.995 -0.255 0.701 845 HD22 ASN 107 2HD2 ASN 107 -31.840 -1.867 0.437 846 H LEU 108 H LEU 108 -26.307 -0.336 1.224 847 HA LEU 108 HA LEU 108 -25.809 2.229 2.606 848 HG LEU 108 HG LEU 108 -22.691 2.356 2.844 849 HB2 LEU 108 1HB LEU 108 -24.796 0.611 4.290 850 HB3 LEU 108 2HB LEU 108 -23.727 -0.014 3.051 851 HD11 LEU 108 1HD1 LEU 108 -23.041 3.906 4.797 852 HD12 LEU 108 2HD1 LEU 108 -24.541 3.719 3.884 853 HD13 LEU 108 3HD1 LEU 108 -24.335 2.863 5.426 854 HD21 LEU 108 3HD2 LEU 108 -21.327 2.066 4.921 855 HD22 LEU 108 1HD2 LEU 108 -22.527 0.936 5.589 856 HD23 LEU 108 2HD2 LEU 108 -21.600 0.503 4.133 857 H ALA 109 H ALA 109 -25.282 3.474 0.900 858 HA ALA 109 HA ALA 109 -23.953 2.362 -1.561 859 HB1 ALA 109 3HB ALA 109 -24.275 4.612 -2.489 860 HB2 ALA 109 1HB ALA 109 -25.734 3.814 -1.877 861 HB3 ALA 109 2HB ALA 109 -25.001 5.172 -0.959 862 H ARG 110 H ARG 110 -22.250 1.745 -0.585 863 HA ARG 110 HA ARG 110 -19.825 3.500 -0.743 864 HE ARG 110 HE ARG 110 -16.769 4.264 -0.213 865 HB2 ARG 110 1HB ARG 110 -20.776 3.833 1.652 866 HB3 ARG 110 2HB ARG 110 -20.403 2.153 1.973 867 HG2 ARG 110 1HG ARG 110 -18.692 3.410 2.953 868 HG3 ARG 110 2HG ARG 110 -17.915 2.650 1.595 869 HD2 ARG 110 1HD ARG 110 -18.944 5.584 1.601 870 HD3 ARG 110 2HD ARG 110 -17.352 5.102 2.123 871 HH11 ARG 110 2HH2 ARG 110 -19.537 6.406 -0.033 872 HH12 ARG 110 1HH2 ARG 110 -19.244 6.954 -1.750 873 HH21 ARG 110 2HH1 ARG 110 -16.578 4.769 -2.041 874 HH22 ARG 110 1HH1 ARG 110 -17.603 6.077 -2.866 875 H ASP 111 H ASP 111 -18.016 2.505 -1.148 876 HA ASP 111 HA ASP 111 -17.634 -0.344 -1.721 877 HB2 ASP 111 1HB ASP 111 -15.306 0.370 -2.145 878 HB3 ASP 111 2HB ASP 111 -16.452 1.441 -2.899 879 H LYS 112 H LYS 112 -15.494 -1.238 -0.781 880 HA LYS 112 HA LYS 112 -14.911 -0.695 1.995 881 HB2 LYS 112 1HB LYS 112 -16.875 -2.358 2.226 882 HB3 LYS 112 2HB LYS 112 -15.796 -3.637 1.703 883 HG2 LYS 112 1HG LYS 112 -15.169 -1.710 4.057 884 HG3 LYS 112 2HG LYS 112 -16.189 -3.119 4.264 885 HD2 LYS 112 1HD LYS 112 -14.385 -4.695 3.782 886 HD3 LYS 112 2HD LYS 112 -13.351 -3.453 3.131 887 HE2 LYS 112 1HE LYS 112 -12.419 -3.916 5.231 888 HE3 LYS 112 2HE LYS 112 -13.123 -2.319 5.352 889 HZ1 LYS 112 3HZ LYS 112 -13.715 -3.715 7.330 890 HZ2 LYS 112 1HZ LYS 112 -15.098 -3.357 6.515 891 HZ3 LYS 112 2HZ LYS 112 -14.439 -4.852 6.384 892 H LYS 113 H LYS 113 -13.108 -0.122 0.890 893 HA LYS 113 HA LYS 113 -11.006 -2.282 0.409 894 HB2 LYS 113 1HB LYS 113 -10.612 0.735 0.921 895 HB3 LYS 113 2HB LYS 113 -9.370 -0.407 0.529 896 HG2 LYS 113 1HG LYS 113 -9.576 0.359 -1.576 897 HG3 LYS 113 2HG LYS 113 -10.777 -0.907 -1.701 898 HD2 LYS 113 1HD LYS 113 -11.799 1.015 -2.684 899 HD3 LYS 113 2HD LYS 113 -12.593 0.818 -1.141 900 HE2 LYS 113 1HE LYS 113 -10.781 2.560 -0.220 901 HE3 LYS 113 2HE LYS 113 -10.385 2.879 -1.890 902 HZ1 LYS 113 3HZ LYS 113 -12.616 3.872 -2.145 903 HZ2 LYS 113 1HZ LYS 113 -13.232 3.036 -0.846 904 HZ3 LYS 113 2HZ LYS 113 -12.105 4.284 -0.592 905 H LYS 114 H LYS 114 -9.080 -2.212 1.843 906 HA LYS 114 HA LYS 114 -9.845 -3.625 4.079 907 HB2 LYS 114 1HB LYS 114 -7.565 -3.500 2.857 908 HB3 LYS 114 2HB LYS 114 -7.053 -2.329 4.022 909 HG2 LYS 114 1HG LYS 114 -8.187 -5.112 4.793 910 HG3 LYS 114 2HG LYS 114 -6.551 -4.931 4.250 911 HD2 LYS 114 1HD LYS 114 -7.643 -3.447 6.741 912 HD3 LYS 114 2HD LYS 114 -6.966 -5.068 6.751 913 HE2 LYS 114 1HE LYS 114 -4.804 -4.094 5.670 914 HE3 LYS 114 2HE LYS 114 -5.462 -2.478 5.937 915 HZ1 LYS 114 3HZ LYS 114 -5.340 -2.733 8.314 916 HZ2 LYS 114 1HZ LYS 114 -5.277 -4.399 8.257 917 HZ3 LYS 114 2HZ LYS 114 -3.990 -3.462 7.804 918 H GLN 115 H GLN 115 -8.343 -0.403 4.729 919 HA GLN 115 HA GLN 115 -10.289 0.247 6.737 920 HB2 GLN 115 1HB GLN 115 -8.848 -1.570 8.028 921 HB3 GLN 115 2HB GLN 115 -7.564 -0.380 8.059 922 HG2 GLN 115 1HG GLN 115 -9.251 1.244 9.229 923 HG3 GLN 115 2HG GLN 115 -10.416 -0.064 9.261 924 HE21 GLN 115 1HE2 GLN 115 -9.507 -2.133 10.398 925 HE22 GLN 115 2HE2 GLN 115 -8.483 -1.755 11.880 926 H ARG 116 H ARG 116 -10.290 2.345 6.821 927 HA ARG 116 HA ARG 116 -7.876 4.124 6.239 928 HE ARG 116 HE ARG 116 -8.939 9.092 6.461 929 HB2 ARG 116 1HB ARG 116 -10.149 4.676 5.340 930 HB3 ARG 116 2HB ARG 116 -10.779 4.899 6.954 931 HG2 ARG 116 1HG ARG 116 -8.419 6.550 5.775 932 HG3 ARG 116 2HG ARG 116 -10.112 6.950 5.539 933 HD2 ARG 116 1HD ARG 116 -10.421 7.023 8.095 934 HD3 ARG 116 2HD ARG 116 -8.660 6.858 8.265 935 HH11 ARG 116 2HH2 ARG 116 -10.026 8.417 9.710 936 HH12 ARG 116 1HH2 ARG 116 -10.034 10.208 10.105 937 HH21 ARG 116 2HH1 ARG 116 -8.914 10.928 6.910 938 HH22 ARG 116 1HH1 ARG 116 -9.429 11.619 8.550 939 H GLY 117 H GLY 117 -6.837 3.020 7.950 940 HA2 GLY 117 1HA GLY 117 -6.562 4.505 10.480 941 HA3 GLY 117 2HA GLY 117 -7.503 3.014 10.708 942 H ARG 118 H ARG 118 -6.443 1.021 10.450 943 HA ARG 118 HA ARG 118 -3.665 1.024 9.239 944 HE ARG 118 HE ARG 118 0.053 2.355 12.236 945 HB2 ARG 118 1HB ARG 118 -4.340 -0.617 11.754 946 HB3 ARG 118 2HB ARG 118 -2.939 -0.886 10.734 947 HG2 ARG 118 1HG ARG 118 -3.510 1.663 12.360 948 HG3 ARG 118 2HG ARG 118 -2.386 0.382 12.784 949 HD2 ARG 118 1HD ARG 118 -0.986 0.842 10.760 950 HD3 ARG 118 2HD ARG 118 -2.062 2.107 10.218 951 HH11 ARG 118 2HH2 ARG 118 -3.039 3.744 11.292 952 HH12 ARG 118 1HH2 ARG 118 -2.621 5.321 12.129 953 HH21 ARG 118 2HH1 ARG 118 0.481 4.137 13.082 954 HH22 ARG 118 1HH1 ARG 118 -0.739 5.528 13.116 Start of MODEL 16 1 HA MET 1 HA MET 1 23.041 -22.904 17.259 2 H1 MET 1 1H MET 1 25.086 -21.580 17.408 3 H2 MET 1 2H MET 1 25.250 -21.863 19.018 4 H3 MET 1 3H MET 1 25.407 -23.104 17.953 5 HB2 MET 1 1HB MET 1 23.512 -23.415 20.272 6 HB3 MET 1 2HB MET 1 21.998 -23.708 19.438 7 HG2 MET 1 1HG MET 1 23.121 -25.362 17.884 8 HG3 MET 1 2HG MET 1 24.656 -25.131 18.750 9 HE1 MET 1 3HE MET 1 23.209 -27.953 18.413 10 HE2 MET 1 1HE MET 1 24.754 -27.723 19.286 11 HE3 MET 1 2HE MET 1 23.416 -28.618 20.055 12 H ALA 2 H ALA 2 23.019 -21.170 20.454 13 HA ALA 2 HA ALA 2 20.959 -19.300 19.350 14 HB1 ALA 2 3HB ALA 2 20.766 -20.229 21.641 15 HB2 ALA 2 1HB ALA 2 22.295 -19.453 22.131 16 HB3 ALA 2 2HB ALA 2 20.890 -18.463 21.696 17 H GLY 3 H GLY 3 21.670 -17.740 18.066 18 HA2 GLY 3 1HA GLY 3 24.321 -16.344 18.379 19 HA3 GLY 3 2HA GLY 3 23.164 -16.056 17.105 20 H SER 4 H SER 4 21.297 -14.685 17.619 21 HA SER 4 HA SER 4 21.151 -13.157 20.149 22 HG SER 4 HG SER 4 23.493 -12.837 19.644 23 HB2 SER 4 1HB SER 4 22.324 -11.660 17.708 24 HB3 SER 4 2HB SER 4 21.594 -10.841 19.095 25 H GLY 5 H GLY 5 19.080 -12.677 20.407 26 HA2 GLY 5 1HA GLY 5 17.075 -12.932 18.174 27 HA3 GLY 5 2HA GLY 5 16.718 -12.660 19.862 28 H ILE 6 H ILE 6 18.112 -10.979 17.100 29 HA ILE 6 HA ILE 6 17.403 -8.321 18.178 30 HB ILE 6 HB ILE 6 19.474 -8.687 17.091 31 HG12 ILE 6 1HG1 ILE 6 17.851 -6.503 15.645 32 HG13 ILE 6 2HG1 ILE 6 18.344 -6.404 17.326 33 HG21 ILE 6 1HG2 ILE 6 19.811 -8.876 14.678 34 HG22 ILE 6 2HG2 ILE 6 18.687 -10.156 15.184 35 HG23 ILE 6 3HG2 ILE 6 18.072 -8.724 14.333 36 HD11 ILE 6 3HD1 ILE 6 20.289 -6.558 14.935 37 HD12 ILE 6 1HD1 ILE 6 19.938 -5.151 15.954 38 HD13 ILE 6 2HD1 ILE 6 20.790 -6.551 16.645 39 H ILE 7 H ILE 7 15.192 -8.681 18.440 40 HA ILE 7 HA ILE 7 13.364 -8.764 16.146 41 HB ILE 7 HB ILE 7 12.842 -9.837 18.215 42 HG12 ILE 7 1HG1 ILE 7 10.442 -9.154 18.496 43 HG13 ILE 7 2HG1 ILE 7 10.710 -7.715 17.526 44 HG21 ILE 7 1HG2 ILE 7 12.001 -8.722 20.239 45 HG22 ILE 7 2HG2 ILE 7 13.656 -8.179 19.941 46 HG23 ILE 7 3HG2 ILE 7 12.296 -7.105 19.561 47 HD11 ILE 7 3HD1 ILE 7 9.654 -9.607 16.239 48 HD12 ILE 7 1HD1 ILE 7 11.203 -9.168 15.504 49 HD13 ILE 7 2HD1 ILE 7 11.079 -10.630 16.515 50 H TYR 8 H TYR 8 14.282 -7.042 14.983 51 HA TYR 8 HA TYR 8 12.988 -4.356 15.552 52 HD1 TYR 8 HD1 TYR 8 15.395 -6.667 13.281 53 HD2 TYR 8 HD2 TYR 8 17.273 -2.962 14.482 54 HE1 TYR 8 HE1 TYR 8 17.369 -7.229 11.972 55 HE2 TYR 8 HE2 TYR 8 19.236 -3.549 13.158 56 HH TYR 8 HH TYR 8 20.168 -5.049 11.793 57 HB2 TYR 8 1HB TYR 8 14.797 -3.211 14.648 58 HB3 TYR 8 2HB TYR 8 15.324 -4.284 15.915 59 H LYS 9 H LYS 9 11.984 -3.246 14.001 60 HA LYS 9 HA LYS 9 10.984 -4.905 11.615 61 HB2 LYS 9 1HB LYS 9 9.355 -4.244 13.417 62 HB3 LYS 9 2HB LYS 9 9.686 -2.539 13.100 63 HG2 LYS 9 1HG LYS 9 8.862 -2.893 10.691 64 HG3 LYS 9 2HG LYS 9 8.436 -4.555 11.098 65 HD2 LYS 9 1HD LYS 9 6.824 -3.786 12.847 66 HD3 LYS 9 2HD LYS 9 7.385 -2.118 12.689 67 HE2 LYS 9 1HE LYS 9 6.597 -2.139 10.224 68 HE3 LYS 9 2HE LYS 9 5.892 -3.729 10.487 69 HZ1 LYS 9 3HZ LYS 9 4.466 -1.481 10.961 70 HZ2 LYS 9 1HZ LYS 9 4.212 -2.777 11.913 71 HZ3 LYS 9 2HZ LYS 9 5.185 -1.558 12.434 72 H GLN 10 H GLN 10 12.773 -4.403 10.389 73 HA GLN 10 HA GLN 10 13.503 -1.542 9.843 74 HB2 GLN 10 1HB GLN 10 14.850 -4.156 8.931 75 HB3 GLN 10 2HB GLN 10 15.482 -2.550 8.613 76 HG2 GLN 10 1HG GLN 10 15.121 -3.798 11.414 77 HG3 GLN 10 2HG GLN 10 16.601 -3.709 10.503 78 HE21 GLN 10 1HE2 GLN 10 14.270 -1.745 12.259 79 HE22 GLN 10 2HE2 GLN 10 15.461 -0.355 12.474 80 HA PRO 11 HA PRO 11 11.265 -1.491 5.939 81 HB2 PRO 11 1HB PRO 11 12.202 0.823 4.717 82 HB3 PRO 11 2HB PRO 11 11.283 0.807 6.228 83 HG2 PRO 11 1HG PRO 11 14.352 0.880 5.927 84 HG3 PRO 11 2HG PRO 11 13.340 2.020 6.856 85 HD2 PRO 11 1HD PRO 11 14.557 -0.120 8.111 86 HD3 PRO 11 2HD PRO 11 12.898 0.364 8.583 87 H ILE 12 H ILE 12 12.602 -3.505 5.543 88 HA ILE 12 HA ILE 12 13.137 -3.414 2.566 89 HB ILE 12 HB ILE 12 15.306 -3.110 3.615 90 HG12 ILE 12 1HG1 ILE 12 15.213 -3.871 1.369 91 HG13 ILE 12 2HG1 ILE 12 16.622 -4.452 2.217 92 HG21 ILE 12 1HG2 ILE 12 16.613 -4.879 4.687 93 HG22 ILE 12 2HG2 ILE 12 15.175 -4.515 5.660 94 HG23 ILE 12 3HG2 ILE 12 15.231 -5.995 4.684 95 HD11 ILE 12 3HD1 ILE 12 15.820 -6.214 0.737 96 HD12 ILE 12 1HD1 ILE 12 15.540 -6.777 2.397 97 HD13 ILE 12 2HD1 ILE 12 14.186 -6.178 1.417 98 H TYR 13 H TYR 13 11.044 -4.216 2.556 99 HA TYR 13 HA TYR 13 10.755 -7.101 2.375 100 HD1 TYR 13 HD2 TYR 13 10.950 -4.924 5.949 101 HD2 TYR 13 HD1 TYR 13 7.112 -6.446 4.768 102 HE1 TYR 13 HE2 TYR 13 9.856 -3.370 7.516 103 HE2 TYR 13 HE1 TYR 13 6.027 -4.904 6.372 104 HH TYR 13 HH TYR 13 7.899 -2.466 8.147 105 HB2 TYR 13 1HB TYR 13 9.134 -7.631 4.079 106 HB3 TYR 13 2HB TYR 13 10.663 -7.205 4.766 107 H GLN 14 H GLN 14 8.880 -7.707 1.387 108 HA GLN 14 HA GLN 14 7.671 -5.950 -0.472 109 HB2 GLN 14 1HB GLN 14 6.206 -7.679 -1.136 110 HB3 GLN 14 2HB GLN 14 7.799 -8.316 -0.809 111 HG2 GLN 14 1HG GLN 14 5.300 -8.634 0.979 112 HG3 GLN 14 2HG GLN 14 5.921 -9.814 -0.144 113 HE21 GLN 14 1HE2 GLN 14 5.463 -10.123 2.678 114 HE22 GLN 14 2HE2 GLN 14 7.122 -10.658 3.320 115 H GLY 15 H GLY 15 6.102 -6.858 2.563 116 HA2 GLY 15 1HA GLY 15 3.751 -5.145 2.403 117 HA3 GLY 15 2HA GLY 15 4.555 -5.582 3.894 118 H ASN 16 H ASN 16 7.039 -4.119 3.077 119 HA ASN 16 HA ASN 16 6.336 -1.394 4.040 120 HB2 ASN 16 1HB ASN 16 8.567 -2.733 4.419 121 HB3 ASN 16 2HB ASN 16 9.032 -2.245 2.814 122 HD21 ASN 16 1HD2 ASN 16 9.190 0.164 2.521 123 HD22 ASN 16 2HD2 ASN 16 9.672 1.119 4.008 124 H LEU 17 H LEU 17 6.162 -2.750 0.913 125 HA LEU 17 HA LEU 17 5.974 -0.023 -0.407 126 HG LEU 17 HG LEU 17 6.789 -2.113 -3.345 127 HB2 LEU 17 1HB LEU 17 5.054 -2.712 -1.564 128 HB3 LEU 17 2HB LEU 17 5.034 -1.174 -2.345 129 HD11 LEU 17 1HD1 LEU 17 7.700 0.030 -2.347 130 HD12 LEU 17 2HD1 LEU 17 8.386 -0.887 -0.997 131 HD13 LEU 17 3HD1 LEU 17 8.958 -1.175 -2.657 132 HD21 LEU 17 3HD2 LEU 17 6.850 -4.224 -2.050 133 HD22 LEU 17 1HD2 LEU 17 8.488 -3.644 -2.391 134 HD23 LEU 17 2HD2 LEU 17 7.806 -3.455 -0.760 135 H ILE 18 H ILE 18 3.261 -2.392 -0.575 136 HA ILE 18 HA ILE 18 1.586 -0.399 1.039 137 HB ILE 18 HB ILE 18 1.036 -2.188 -1.359 138 HG12 ILE 18 1HG1 ILE 18 1.912 0.178 -1.577 139 HG13 ILE 18 2HG1 ILE 18 0.498 -0.202 -2.464 140 HG21 ILE 18 1HG2 ILE 18 -0.938 -2.745 -0.070 141 HG22 ILE 18 2HG2 ILE 18 -1.199 -1.061 0.431 142 HG23 ILE 18 3HG2 ILE 18 -1.417 -1.540 -1.263 143 HD11 ILE 18 3HD1 ILE 18 0.347 2.071 -1.447 144 HD12 ILE 18 1HD1 ILE 18 -0.948 1.064 -0.781 145 HD13 ILE 18 2HD1 ILE 18 0.497 1.411 0.188 146 H LYS 19 H LYS 19 1.536 -0.995 3.015 147 HA LYS 19 HA LYS 19 -0.759 -2.446 3.546 148 HB2 LYS 19 1HB LYS 19 -0.412 -4.246 5.001 149 HB3 LYS 19 2HB LYS 19 0.457 -4.556 3.525 150 HG2 LYS 19 1HG LYS 19 2.625 -3.882 4.653 151 HG3 LYS 19 2HG LYS 19 1.760 -3.685 6.173 152 HD2 LYS 19 1HD LYS 19 0.875 -6.157 5.828 153 HD3 LYS 19 2HD LYS 19 1.939 -6.243 4.429 154 HE2 LYS 19 1HE LYS 19 3.914 -5.668 6.098 155 HE3 LYS 19 2HE LYS 19 2.758 -5.924 7.408 156 HZ1 LYS 19 3HZ LYS 19 2.331 -8.224 6.424 157 HZ2 LYS 19 1HZ LYS 19 3.354 -7.920 5.164 158 HZ3 LYS 19 2HZ LYS 19 3.956 -8.087 6.713 159 H GLN 20 H GLN 20 -1.731 -1.801 5.360 160 HA GLN 20 HA GLN 20 -1.089 0.813 6.024 161 HB2 GLN 20 1HB GLN 20 -3.316 -0.412 6.163 162 HB3 GLN 20 2HB GLN 20 -2.885 -0.959 7.783 163 HG2 GLN 20 1HG GLN 20 -2.722 1.501 8.510 164 HG3 GLN 20 2HG GLN 20 -3.133 2.005 6.877 165 HE21 GLN 20 1HE2 GLN 20 -5.350 1.963 6.292 166 HE22 GLN 20 2HE2 GLN 20 -6.627 1.420 7.506 167 H ASN 21 H ASN 21 -0.295 -1.811 8.220 168 HA ASN 21 HA ASN 21 0.957 0.037 10.278 169 HB2 ASN 21 1HB ASN 21 -0.296 -2.003 10.942 170 HB3 ASN 21 2HB ASN 21 0.831 -3.032 10.086 171 HD21 ASN 21 1HD2 ASN 21 1.109 -0.428 12.667 172 HD22 ASN 21 2HD2 ASN 21 1.967 -1.632 13.742 173 H ALA 22 H ALA 22 2.128 -1.506 7.431 174 HA ALA 22 HA ALA 22 5.067 -1.103 8.169 175 HB1 ALA 22 3HB ALA 22 5.565 -2.151 6.013 176 HB2 ALA 22 1HB ALA 22 4.433 -3.183 6.891 177 HB3 ALA 22 2HB ALA 22 3.850 -2.158 5.550 178 H VAL 23 H VAL 23 2.586 0.220 5.921 179 HA VAL 23 HA VAL 23 4.260 2.483 5.036 180 HB VAL 23 HB VAL 23 1.212 2.153 5.051 181 HG11 VAL 23 1HG1 VAL 23 1.226 4.007 3.299 182 HG12 VAL 23 2HG1 VAL 23 1.691 4.602 4.913 183 HG13 VAL 23 3HG1 VAL 23 2.937 4.333 3.676 184 HG21 VAL 23 3HG2 VAL 23 1.633 1.748 2.535 185 HG22 VAL 23 1HG2 VAL 23 3.378 1.850 2.833 186 HG23 VAL 23 2HG2 VAL 23 2.443 0.537 3.548 187 H GLU 24 H GLU 24 2.078 2.210 7.848 188 HA GLU 24 HA GLU 24 2.639 4.782 9.102 189 HB2 GLU 24 1HB GLU 24 0.943 3.111 9.815 190 HB3 GLU 24 2HB GLU 24 2.195 1.923 10.154 191 HG2 GLU 24 1HG GLU 24 3.008 3.371 12.101 192 HG3 GLU 24 2HG GLU 24 1.687 4.493 11.778 193 H GLN 25 H GLN 25 4.522 1.788 9.221 194 HA GLN 25 HA GLN 25 6.735 2.914 10.874 195 HB2 GLN 25 1HB GLN 25 6.146 0.619 11.041 196 HB3 GLN 25 2HB GLN 25 6.354 0.295 9.333 197 HG2 GLN 25 1HG GLN 25 8.812 1.197 10.960 198 HG3 GLN 25 2HG GLN 25 8.169 -0.395 11.222 199 HE21 GLN 25 1HE2 GLN 25 9.928 1.520 8.979 200 HE22 GLN 25 2HE2 GLN 25 10.206 0.128 7.805 201 H LEU 26 H LEU 26 6.464 2.569 7.315 202 HA LEU 26 HA LEU 26 9.172 2.855 6.726 203 HG LEU 26 HG LEU 26 5.839 3.938 5.290 204 HB2 LEU 26 1HB LEU 26 8.753 3.426 4.476 205 HB3 LEU 26 2HB LEU 26 7.693 2.190 5.104 206 HD11 LEU 26 1HD1 LEU 26 7.606 5.605 3.396 207 HD12 LEU 26 2HD1 LEU 26 5.893 5.897 3.790 208 HD13 LEU 26 3HD1 LEU 26 7.112 6.093 5.031 209 HD21 LEU 26 3HD2 LEU 26 6.972 3.284 2.487 210 HD22 LEU 26 1HD2 LEU 26 6.000 2.172 3.483 211 HD23 LEU 26 2HD2 LEU 26 5.269 3.658 2.870 212 H GLN 27 H GLN 27 7.440 5.606 7.772 213 HA GLN 27 HA GLN 27 8.054 7.902 7.988 214 HB2 GLN 27 1HB GLN 27 8.934 6.442 9.815 215 HB3 GLN 27 2HB GLN 27 10.508 6.410 9.040 216 HG2 GLN 27 1HG GLN 27 10.473 7.953 10.914 217 HG3 GLN 27 2HG GLN 27 10.845 8.832 9.461 218 HE21 GLN 27 1HE2 GLN 27 9.367 10.452 8.794 219 HE22 GLN 27 2HE2 GLN 27 7.958 10.932 9.885 220 H VAL 28 H VAL 28 8.349 7.613 5.391 221 HA VAL 28 HA VAL 28 10.918 8.970 4.544 222 HB VAL 28 HB VAL 28 8.441 8.113 2.913 223 HG11 VAL 28 1HG1 VAL 28 9.500 9.999 1.687 224 HG12 VAL 28 2HG1 VAL 28 11.127 9.318 1.927 225 HG13 VAL 28 3HG1 VAL 28 9.940 8.495 0.874 226 HG21 VAL 28 3HG2 VAL 28 9.990 6.360 1.978 227 HG22 VAL 28 1HG2 VAL 28 11.298 6.895 3.064 228 HG23 VAL 28 2HG2 VAL 28 9.824 6.156 3.724 229 H GLY 29 H GLY 29 11.147 11.080 4.586 230 HA2 GLY 29 1HA GLY 29 8.751 13.011 4.284 231 HA3 GLY 29 2HA GLY 29 9.961 13.284 5.503 232 H GLN 30 H GLN 30 10.418 12.236 2.195 233 HA GLN 30 HA GLN 30 12.115 14.725 1.639 234 HB2 GLN 30 1HB GLN 30 13.353 12.688 2.383 235 HB3 GLN 30 2HB GLN 30 12.721 11.765 1.028 236 HG2 GLN 30 1HG GLN 30 14.993 12.398 0.569 237 HG3 GLN 30 2HG GLN 30 13.974 13.187 -0.603 238 HE21 GLN 30 1HE2 GLN 30 13.653 15.539 -0.320 239 HE22 GLN 30 2HE2 GLN 30 14.969 16.455 0.591 240 H SER 31 H SER 31 10.159 12.284 -0.171 241 HA SER 31 HA SER 31 10.028 14.200 -2.451 242 HG SER 31 HG SER 31 10.521 13.551 -4.713 243 HB2 SER 31 1HB SER 31 12.208 13.233 -2.943 244 HB3 SER 31 2HB SER 31 11.588 11.584 -2.843 245 H LYS 32 H LYS 32 8.304 14.078 -3.555 246 HA LYS 32 HA LYS 32 6.155 12.164 -2.894 247 HB2 LYS 32 1HB LYS 32 4.675 13.296 -4.226 248 HB3 LYS 32 2HB LYS 32 5.573 14.433 -3.256 249 HG2 LYS 32 1HG LYS 32 6.589 15.517 -5.089 250 HG3 LYS 32 2HG LYS 32 6.514 14.136 -6.149 251 HD2 LYS 32 1HD LYS 32 4.877 15.642 -6.985 252 HD3 LYS 32 2HD LYS 32 4.038 14.256 -6.301 253 HE2 LYS 32 1HE LYS 32 3.776 15.756 -4.098 254 HE3 LYS 32 2HE LYS 32 4.335 17.078 -5.073 255 HZ1 LYS 32 3HZ LYS 32 1.912 15.383 -5.688 256 HZ2 LYS 32 1HZ LYS 32 1.854 16.913 -5.122 257 HZ3 LYS 32 2HZ LYS 32 2.431 16.598 -6.673 258 H GLN 33 H GLN 33 8.068 12.623 -5.787 259 HA GLN 33 HA GLN 33 6.908 10.325 -7.282 260 HB2 GLN 33 1HB GLN 33 8.680 10.800 -8.945 261 HB3 GLN 33 2HB GLN 33 7.870 12.266 -8.443 262 HG2 GLN 33 1HG GLN 33 9.904 12.646 -6.776 263 HG3 GLN 33 2HG GLN 33 10.690 11.316 -7.579 264 HE21 GLN 33 1HE2 GLN 33 9.692 14.661 -7.860 265 HE22 GLN 33 2HE2 GLN 33 10.622 14.938 -9.407 266 H GLN 34 H GLN 34 9.462 10.436 -4.910 267 HA GLN 34 HA GLN 34 10.257 7.584 -5.502 268 HB2 GLN 34 1HB GLN 34 10.972 9.371 -3.105 269 HB3 GLN 34 2HB GLN 34 11.588 7.759 -3.382 270 HG2 GLN 34 1HG GLN 34 12.066 10.235 -5.165 271 HG3 GLN 34 2HG GLN 34 13.206 9.530 -4.060 272 HE21 GLN 34 1HE2 GLN 34 14.336 7.637 -4.756 273 HE22 GLN 34 2HE2 GLN 34 14.223 7.089 -6.510 274 H VAL 35 H VAL 35 8.305 9.171 -2.880 275 HA VAL 35 HA VAL 35 7.506 6.553 -1.766 276 HB VAL 35 HB VAL 35 7.578 8.645 -0.432 277 HG11 VAL 35 1HG1 VAL 35 6.340 10.235 -1.946 278 HG12 VAL 35 2HG1 VAL 35 4.836 9.344 -1.689 279 HG13 VAL 35 3HG1 VAL 35 5.637 10.159 -0.326 280 HG21 VAL 35 3HG2 VAL 35 6.432 6.569 0.395 281 HG22 VAL 35 1HG2 VAL 35 5.656 8.040 1.013 282 HG23 VAL 35 2HG2 VAL 35 4.901 7.130 -0.319 283 H SER 36 H SER 36 5.917 8.650 -4.199 284 HA SER 36 HA SER 36 3.644 6.780 -4.639 285 HG SER 36 HG SER 36 2.726 9.109 -4.983 286 HB2 SER 36 1HB SER 36 4.992 8.699 -6.678 287 HB3 SER 36 2HB SER 36 3.416 7.930 -6.882 288 H ALA 37 H ALA 37 6.951 6.829 -6.052 289 HA ALA 37 HA ALA 37 6.449 4.485 -7.820 290 HB1 ALA 37 3HB ALA 37 8.978 4.306 -7.873 291 HB2 ALA 37 1HB ALA 37 8.439 5.960 -8.172 292 HB3 ALA 37 2HB ALA 37 9.097 5.526 -6.585 293 H LEU 38 H LEU 38 7.690 4.680 -4.475 294 HA LEU 38 HA LEU 38 7.895 1.736 -4.148 295 HG LEU 38 HG LEU 38 9.746 1.631 -2.487 296 HB2 LEU 38 1HB LEU 38 7.913 4.113 -2.200 297 HB3 LEU 38 2HB LEU 38 7.624 2.514 -1.560 298 HD11 LEU 38 1HD1 LEU 38 10.202 3.269 -4.372 299 HD12 LEU 38 2HD1 LEU 38 10.419 4.576 -3.190 300 HD13 LEU 38 3HD1 LEU 38 11.544 3.201 -3.223 301 HD21 LEU 38 3HD2 LEU 38 11.168 2.793 -0.767 302 HD22 LEU 38 1HD2 LEU 38 9.981 4.116 -0.655 303 HD23 LEU 38 2HD2 LEU 38 9.546 2.470 -0.132 304 H LEU 39 H LEU 39 5.294 3.978 -3.094 305 HA LEU 39 HA LEU 39 3.459 1.797 -2.270 306 HG LEU 39 HG LEU 39 4.250 4.317 -0.837 307 HB2 LEU 39 1HB LEU 39 3.052 4.737 -3.095 308 HB3 LEU 39 2HB LEU 39 1.723 3.759 -2.539 309 HD11 LEU 39 1HD1 LEU 39 3.022 6.423 -1.300 310 HD12 LEU 39 2HD1 LEU 39 1.475 5.674 -0.858 311 HD13 LEU 39 3HD1 LEU 39 2.717 5.923 0.388 312 HD21 LEU 39 3HD2 LEU 39 1.503 3.395 0.209 313 HD22 LEU 39 1HD2 LEU 39 2.739 2.224 -0.246 314 HD23 LEU 39 2HD2 LEU 39 3.060 3.344 1.058 315 H GLY 40 H GLY 40 3.955 3.371 -5.362 316 HA2 GLY 40 1HA GLY 40 3.562 2.078 -7.472 317 HA3 GLY 40 2HA GLY 40 2.264 1.197 -6.691 318 H THR 41 H THR 41 3.119 4.476 -7.674 319 HA THR 41 HA THR 41 0.348 4.952 -8.834 320 HB THR 41 HB THR 41 1.578 6.367 -6.381 321 HG1 THR 41 HG1 THR 41 0.074 4.346 -6.602 322 HG21 THR 41 3HG2 THR 41 -0.792 7.335 -8.090 323 HG22 THR 41 1HG2 THR 41 -0.639 7.698 -6.373 324 HG23 THR 41 2HG2 THR 41 0.596 8.263 -7.493 325 HA PRO 42 HA PRO 42 2.732 8.223 -11.229 326 HB2 PRO 42 1HB PRO 42 0.678 9.153 -12.795 327 HB3 PRO 42 2HB PRO 42 1.480 7.594 -13.089 328 HG2 PRO 42 1HG PRO 42 -1.139 8.091 -11.556 329 HG3 PRO 42 2HG PRO 42 -0.893 6.934 -12.896 330 HD2 PRO 42 1HD PRO 42 -0.771 6.206 -10.205 331 HD3 PRO 42 2HD PRO 42 0.245 5.365 -11.412 332 H SER 43 H SER 43 3.170 10.093 -10.289 333 HA SER 43 HA SER 43 1.593 11.202 -8.072 334 HG SER 43 HG SER 43 3.814 10.489 -7.145 335 HB2 SER 43 1HB SER 43 4.191 12.172 -9.453 336 HB3 SER 43 2HB SER 43 3.624 12.701 -7.875 337 H ILE 44 H ILE 44 1.956 13.713 -8.082 338 HA ILE 44 HA ILE 44 0.719 15.083 -10.550 339 HB ILE 44 HB ILE 44 0.200 16.061 -7.676 340 HG12 ILE 44 1HG1 ILE 44 -1.890 15.095 -9.736 341 HG13 ILE 44 2HG1 ILE 44 -1.232 14.046 -8.501 342 HG21 ILE 44 1HG2 ILE 44 0.486 17.974 -9.331 343 HG22 ILE 44 2HG2 ILE 44 -0.717 17.223 -10.408 344 HG23 ILE 44 3HG2 ILE 44 -1.189 17.849 -8.811 345 HD11 ILE 44 3HD1 ILE 44 -2.841 16.623 -7.943 346 HD12 ILE 44 1HD1 ILE 44 -3.335 14.952 -7.647 347 HD13 ILE 44 2HD1 ILE 44 -2.031 15.670 -6.679 348 HA PRO 45 HA PRO 45 4.932 16.862 -9.557 349 HB2 PRO 45 1HB PRO 45 6.307 16.316 -11.832 350 HB3 PRO 45 2HB PRO 45 5.774 15.017 -10.745 351 HG2 PRO 45 1HG PRO 45 4.333 15.975 -13.309 352 HG3 PRO 45 2HG PRO 45 4.821 14.304 -12.915 353 HD2 PRO 45 1HD PRO 45 2.249 15.295 -12.354 354 HD3 PRO 45 2HD PRO 45 3.039 14.042 -11.359 355 H ASP 46 H ASP 46 3.443 18.813 -9.507 356 HA ASP 46 HA ASP 46 3.693 20.779 -11.667 357 HB2 ASP 46 1HB ASP 46 1.998 20.969 -9.858 358 HB3 ASP 46 2HB ASP 46 3.272 21.322 -8.692 359 HA PRO 47 HA PRO 47 8.110 21.692 -10.742 360 HB2 PRO 47 1HB PRO 47 8.599 23.578 -12.765 361 HB3 PRO 47 2HB PRO 47 8.336 21.864 -13.128 362 HG2 PRO 47 1HG PRO 47 6.267 24.147 -13.190 363 HG3 PRO 47 2HG PRO 47 6.582 22.957 -14.475 364 HD2 PRO 47 1HD PRO 47 4.524 22.676 -12.559 365 HD3 PRO 47 2HD PRO 47 5.306 21.255 -13.299 366 H PHE 48 H PHE 48 5.571 23.879 -10.167 367 HA PHE 48 HA PHE 48 7.475 25.941 -8.919 368 HD1 PHE 48 HD1 PHE 48 5.902 27.488 -6.838 369 HD2 PHE 48 HD2 PHE 48 5.370 28.804 -10.911 370 HE1 PHE 48 HE1 PHE 48 6.097 29.821 -6.117 371 HE2 PHE 48 HE2 PHE 48 5.583 31.132 -10.172 372 HZ PHE 48 HZ PHE 48 5.944 31.656 -7.777 373 HB2 PHE 48 1HB PHE 48 5.510 26.515 -10.548 374 HB3 PHE 48 2HB PHE 48 4.424 26.150 -9.246 375 H HIS 49 H HIS 49 4.416 24.245 -7.970 376 HA HIS 49 HA HIS 49 5.597 23.605 -5.260 377 HD1 HIS 49 HD1 HIS 49 5.755 24.598 -2.503 378 HD2 HIS 49 HD2 HIS 49 1.653 25.076 -3.636 379 HE1 HIS 49 HE1 HIS 49 4.234 24.336 -0.474 380 HB2 HIS 49 1HB HIS 49 5.018 25.986 -5.005 381 HB3 HIS 49 2HB HIS 49 3.360 25.697 -5.510 382 H ALA 50 H ALA 50 5.140 21.636 -6.484 383 HA ALA 50 HA ALA 50 2.580 20.521 -6.819 384 HB1 ALA 50 3HB ALA 50 4.746 19.707 -7.724 385 HB2 ALA 50 1HB ALA 50 5.202 19.060 -6.131 386 HB3 ALA 50 2HB ALA 50 3.805 18.411 -7.019 387 H GLN 51 H GLN 51 1.254 21.025 -5.093 388 HA GLN 51 HA GLN 51 1.509 20.066 -2.399 389 HB2 GLN 51 1HB GLN 51 -0.980 20.830 -4.079 390 HB3 GLN 51 2HB GLN 51 -1.066 20.532 -2.362 391 HG2 GLN 51 1HG GLN 51 0.722 22.331 -1.970 392 HG3 GLN 51 2HG GLN 51 0.524 22.798 -3.656 393 HE21 GLN 51 1HE2 GLN 51 0.049 24.615 -1.810 394 HE22 GLN 51 2HE2 GLN 51 -1.763 24.922 -1.666 395 H ARG 52 H ARG 52 -0.652 18.906 -1.567 396 HA ARG 52 HA ARG 52 -0.122 16.198 -1.315 397 HE ARG 52 HE ARG 52 -5.664 18.093 -1.672 398 HB2 ARG 52 1HB ARG 52 -2.115 16.008 -0.106 399 HB3 ARG 52 2HB ARG 52 -1.554 17.641 0.130 400 HG2 ARG 52 1HG ARG 52 -3.832 16.679 -1.684 401 HG3 ARG 52 2HG ARG 52 -4.010 17.285 -0.059 402 HD2 ARG 52 1HD ARG 52 -3.251 19.597 -0.787 403 HD3 ARG 52 2HD ARG 52 -3.020 18.980 -2.461 404 HH11 ARG 52 2HH2 ARG 52 -4.134 21.208 -2.356 405 HH12 ARG 52 1HH2 ARG 52 -5.716 21.839 -3.012 406 HH21 ARG 52 2HH1 ARG 52 -7.257 18.812 -2.345 407 HH22 ARG 52 1HH1 ARG 52 -7.475 20.519 -3.004 408 H TRP 53 H TRP 53 -1.220 14.292 -1.693 409 HA TRP 53 HA TRP 53 -2.304 13.826 -4.543 410 HD1 TRP 53 HD1 TRP 53 -3.609 10.624 -4.124 411 HE1 TRP 53 HE1 TRP 53 -3.249 8.070 -4.145 412 HE3 TRP 53 HE3 TRP 53 1.459 10.721 -3.258 413 HZ2 TRP 53 HZ2 TRP 53 -0.950 6.371 -3.802 414 HZ3 TRP 53 HZ3 TRP 53 2.622 8.553 -2.898 415 HH2 TRP 53 HH2 TRP 53 1.429 6.433 -3.179 416 HB2 TRP 53 1HB TRP 53 -0.300 12.647 -4.190 417 HB3 TRP 53 2HB TRP 53 -0.663 12.254 -2.509 418 H ASP 54 H ASP 54 -4.444 14.510 -4.038 419 HA ASP 54 HA ASP 54 -5.993 12.891 -1.954 420 HB2 ASP 54 1HB ASP 54 -6.790 15.352 -3.669 421 HB3 ASP 54 2HB ASP 54 -7.842 14.568 -2.518 422 H TYR 55 H TYR 55 -5.368 11.206 -4.114 423 HA TYR 55 HA TYR 55 -8.079 10.755 -5.374 424 HD1 TYR 55 HD1 TYR 55 -4.959 8.945 -7.671 425 HD2 TYR 55 HD2 TYR 55 -4.592 13.039 -6.388 426 HE1 TYR 55 HE1 TYR 55 -2.553 8.853 -8.025 427 HE2 TYR 55 HE2 TYR 55 -2.155 12.920 -6.768 428 HH TYR 55 HH TYR 55 -0.634 10.283 -8.438 429 HB2 TYR 55 1HB TYR 55 -7.002 10.515 -7.541 430 HB3 TYR 55 2HB TYR 55 -6.817 12.105 -6.850 431 H THR 56 H THR 56 -8.672 8.794 -6.003 432 HA THR 56 HA THR 56 -7.436 6.467 -4.694 433 HB THR 56 HB THR 56 -9.756 6.508 -6.704 434 HG1 THR 56 HG1 THR 56 -9.862 6.368 -3.855 435 HG21 THR 56 3HG2 THR 56 -9.022 4.180 -6.450 436 HG22 THR 56 1HG2 THR 56 -8.760 4.366 -4.708 437 HG23 THR 56 2HG2 THR 56 -10.404 4.391 -5.354 438 H SER 57 H SER 57 -5.472 6.226 -5.484 439 HA SER 57 HA SER 57 -4.759 6.054 -8.336 440 HG SER 57 HG SER 57 -3.679 5.108 -5.042 441 HB2 SER 57 1HB SER 57 -2.492 5.946 -7.505 442 HB3 SER 57 2HB SER 57 -3.378 7.099 -6.523 443 H THR 58 H THR 58 -3.229 4.403 -9.120 444 HA THR 58 HA THR 58 -3.586 1.625 -8.134 445 HB THR 58 HB THR 58 -5.543 1.710 -9.497 446 HG1 THR 58 HG1 THR 58 -4.104 -0.174 -9.380 447 HG21 THR 58 3HG2 THR 58 -5.024 3.336 -11.299 448 HG22 THR 58 1HG2 THR 58 -3.770 2.275 -11.964 449 HG23 THR 58 2HG2 THR 58 -5.476 1.763 -11.976 450 H GLN 59 H GLN 59 -2.055 0.250 -8.654 451 HA GLN 59 HA GLN 59 0.591 1.379 -9.615 452 HB2 GLN 59 1HB GLN 59 0.371 0.108 -7.497 453 HB3 GLN 59 2HB GLN 59 -0.200 -1.324 -8.358 454 HG2 GLN 59 1HG GLN 59 2.019 -1.588 -9.483 455 HG3 GLN 59 2HG GLN 59 2.601 -0.075 -8.792 456 HE21 GLN 59 1HE2 GLN 59 3.995 -0.587 -7.110 457 HE22 GLN 59 2HE2 GLN 59 3.613 -1.872 -5.850 458 H ARG 60 H ARG 60 1.076 1.227 -11.715 459 HA ARG 60 HA ARG 60 0.048 -1.151 -13.376 460 HE ARG 60 HE ARG 60 -3.784 0.009 -12.351 461 HB2 ARG 60 1HB ARG 60 0.157 1.823 -14.170 462 HB3 ARG 60 2HB ARG 60 -0.214 0.522 -15.287 463 HG2 ARG 60 1HG ARG 60 -1.841 1.151 -12.745 464 HG3 ARG 60 2HG ARG 60 -2.247 1.744 -14.339 465 HD2 ARG 60 1HD ARG 60 -2.926 -0.350 -15.193 466 HD3 ARG 60 2HD ARG 60 -1.931 -1.292 -14.093 467 HH11 ARG 60 2HH2 ARG 60 -3.833 -2.464 -14.895 468 HH12 ARG 60 1HH2 ARG 60 -5.402 -3.121 -14.206 469 HH21 ARG 60 2HH1 ARG 60 -5.407 -0.876 -11.595 470 HH22 ARG 60 1HH1 ARG 60 -6.215 -2.307 -12.399 471 H VAL 61 H VAL 61 2.175 -1.899 -12.571 472 HA VAL 61 HA VAL 61 3.991 -1.820 -14.966 473 HB VAL 61 HB VAL 61 4.953 -1.791 -12.668 474 HG11 VAL 61 1HG1 VAL 61 4.274 -4.782 -12.416 475 HG12 VAL 61 2HG1 VAL 61 5.239 -3.777 -11.317 476 HG13 VAL 61 3HG1 VAL 61 3.496 -3.489 -11.480 477 HG21 VAL 61 3HG2 VAL 61 6.817 -3.351 -13.243 478 HG22 VAL 61 1HG2 VAL 61 5.813 -4.093 -14.515 479 HG23 VAL 61 2HG2 VAL 61 6.275 -2.381 -14.626 480 H ASP 62 H ASP 62 1.879 -2.195 -15.836 481 HA ASP 62 HA ASP 62 0.238 -4.335 -15.116 482 HB2 ASP 62 1HB ASP 62 -0.265 -1.963 -15.931 483 HB3 ASP 62 2HB ASP 62 0.080 -2.461 -17.577 484 H ARG 63 H ARG 63 2.485 -5.612 -16.274 485 HA ARG 63 HA ARG 63 1.072 -7.441 -18.313 486 HE ARG 63 HE ARG 63 -0.019 -5.354 -19.288 487 HB2 ARG 63 1HB ARG 63 3.992 -6.621 -18.696 488 HB3 ARG 63 2HB ARG 63 3.093 -7.744 -19.677 489 HG2 ARG 63 1HG ARG 63 2.453 -4.718 -19.424 490 HG3 ARG 63 2HG ARG 63 3.437 -5.451 -20.638 491 HD2 ARG 63 1HD ARG 63 1.572 -5.290 -21.838 492 HD3 ARG 63 2HD ARG 63 1.308 -6.937 -21.260 493 HH11 ARG 63 2HH2 ARG 63 -0.352 -5.695 -22.766 494 HH12 ARG 63 1HH2 ARG 63 -2.134 -5.299 -22.647 495 HH21 ARG 63 2HH1 ARG 63 -1.945 -4.541 -19.282 496 HH22 ARG 63 1HH1 ARG 63 -2.958 -4.729 -20.783 497 H LEU 64 H LEU 64 3.834 -7.361 -16.009 498 HA LEU 64 HA LEU 64 3.242 -10.232 -15.346 499 HG LEU 64 HG LEU 64 4.629 -8.011 -12.613 500 HB2 LEU 64 1HB LEU 64 4.868 -10.288 -13.783 501 HB3 LEU 64 2HB LEU 64 5.582 -9.511 -15.159 502 HD11 LEU 64 1HD1 LEU 64 7.084 -8.002 -12.003 503 HD12 LEU 64 2HD1 LEU 64 6.388 -9.625 -12.019 504 HD13 LEU 64 3HD1 LEU 64 7.432 -9.089 -13.362 505 HD21 LEU 64 3HD2 LEU 64 6.213 -6.211 -13.421 506 HD22 LEU 64 1HD2 LEU 64 6.449 -7.094 -14.948 507 HD23 LEU 64 2HD2 LEU 64 4.854 -6.437 -14.520 508 H ALA 65 H ALA 65 2.757 -10.524 -12.851 509 HA ALA 65 HA ALA 65 -0.047 -9.354 -12.743 510 HB1 ALA 65 3HB ALA 65 1.193 -11.832 -11.430 511 HB2 ALA 65 1HB ALA 65 -0.470 -11.270 -11.154 512 HB3 ALA 65 2HB ALA 65 0.054 -11.720 -12.786 513 H ARG 66 H ARG 66 0.929 -7.382 -12.181 514 HA ARG 66 HA ARG 66 0.514 -6.895 -9.184 515 HE ARG 66 HE ARG 66 2.250 -7.605 -6.706 516 HB2 ARG 66 1HB ARG 66 3.005 -7.060 -9.695 517 HB3 ARG 66 2HB ARG 66 2.846 -5.743 -10.836 518 HG2 ARG 66 1HG ARG 66 3.549 -4.480 -9.085 519 HG3 ARG 66 2HG ARG 66 1.859 -4.389 -8.708 520 HD2 ARG 66 1HD ARG 66 4.026 -6.138 -7.409 521 HD3 ARG 66 2HD ARG 66 3.214 -4.792 -6.697 522 HH11 ARG 66 2HH2 ARG 66 1.101 -4.283 -6.498 523 HH12 ARG 66 1HH2 ARG 66 -0.344 -4.858 -5.501 524 HH21 ARG 66 2HH1 ARG 66 0.524 -8.134 -5.700 525 HH22 ARG 66 1HH1 ARG 66 -0.737 -6.859 -5.259 526 H THR 67 H THR 67 -1.493 -6.562 -10.510 527 HA THR 67 HA THR 67 -1.852 -3.658 -11.443 528 HB THR 67 HB THR 67 -3.772 -4.590 -12.762 529 HG1 THR 67 HG1 THR 67 -4.006 -6.454 -11.416 530 HG21 THR 67 3HG2 THR 67 -2.486 -5.733 -14.545 531 HG22 THR 67 1HG2 THR 67 -1.622 -4.314 -13.928 532 HG23 THR 67 2HG2 THR 67 -1.096 -5.945 -13.457 533 H GLU 68 H GLU 68 -2.466 -2.753 -9.518 534 HA GLU 68 HA GLU 68 -4.879 -3.834 -7.990 535 HB2 GLU 68 1HB GLU 68 -2.618 -4.948 -7.479 536 HB3 GLU 68 2HB GLU 68 -2.008 -3.407 -6.917 537 HG2 GLU 68 1HG GLU 68 -3.814 -3.512 -5.021 538 HG3 GLU 68 2HG GLU 68 -4.326 -5.072 -5.681 539 H ILE 69 H ILE 69 -5.724 -2.487 -6.465 540 HA ILE 69 HA ILE 69 -5.563 0.443 -7.137 541 HB ILE 69 HB ILE 69 -7.634 -1.138 -5.470 542 HG12 ILE 69 1HG1 ILE 69 -9.136 -0.404 -7.531 543 HG13 ILE 69 2HG1 ILE 69 -7.640 -0.177 -8.417 544 HG21 ILE 69 1HG2 ILE 69 -7.630 1.286 -4.775 545 HG22 ILE 69 2HG2 ILE 69 -7.787 1.793 -6.474 546 HG23 ILE 69 3HG2 ILE 69 -9.084 0.868 -5.669 547 HD11 ILE 69 3HD1 ILE 69 -8.831 -2.405 -8.760 548 HD12 ILE 69 1HD1 ILE 69 -7.175 -2.663 -8.210 549 HD13 ILE 69 2HD1 ILE 69 -8.529 -2.837 -7.068 550 H LYS 70 H LYS 70 -4.970 2.039 -5.789 551 HA LYS 70 HA LYS 70 -4.275 1.485 -2.864 552 HB2 LYS 70 1HB LYS 70 -2.445 2.973 -4.867 553 HB3 LYS 70 2HB LYS 70 -2.347 3.133 -3.130 554 HG2 LYS 70 1HG LYS 70 -0.746 1.611 -3.396 555 HG3 LYS 70 2HG LYS 70 -2.063 0.528 -3.012 556 HD2 LYS 70 1HD LYS 70 -1.872 0.935 -5.961 557 HD3 LYS 70 2HD LYS 70 -0.270 0.684 -5.327 558 HE2 LYS 70 1HE LYS 70 -2.684 -1.216 -5.017 559 HE3 LYS 70 2HE LYS 70 -1.359 -1.384 -6.157 560 HZ1 LYS 70 3HZ LYS 70 -1.023 -1.576 -3.161 561 HZ2 LYS 70 1HZ LYS 70 -1.096 -2.877 -4.179 562 HZ3 LYS 70 2HZ LYS 70 0.218 -1.849 -4.189 563 H ASN 71 H ASN 71 -6.278 2.353 -2.467 564 HA ASN 71 HA ASN 71 -6.970 5.191 -3.037 565 HB2 ASN 71 1HB ASN 71 -8.640 3.359 -2.700 566 HB3 ASN 71 2HB ASN 71 -8.184 3.211 -1.030 567 HD21 ASN 71 1HD2 ASN 71 -9.373 4.426 0.360 568 HD22 ASN 71 2HD2 ASN 71 -10.411 5.858 -0.171 569 H PHE 72 H PHE 72 -5.281 6.359 -2.362 570 HA PHE 72 HA PHE 72 -4.609 6.561 0.631 571 HD1 PHE 72 HD2 PHE 72 -2.692 5.028 1.574 572 HD2 PHE 72 HD1 PHE 72 -0.758 7.979 -0.863 573 HE1 PHE 72 HE2 PHE 72 -0.895 5.222 3.250 574 HE2 PHE 72 HE1 PHE 72 1.088 8.099 0.771 575 HZ PHE 72 HZ PHE 72 1.024 6.734 2.827 576 HB2 PHE 72 1HB PHE 72 -3.048 5.228 -1.011 577 HB3 PHE 72 2HB PHE 72 -2.666 6.749 -1.778 578 H THR 73 H THR 73 -4.613 8.533 1.509 579 HA THR 73 HA THR 73 -4.460 11.031 -0.293 580 HB THR 73 HB THR 73 -5.772 10.745 2.474 581 HG1 THR 73 HG1 THR 73 -6.945 11.332 -0.026 582 HG21 THR 73 3HG2 THR 73 -6.690 13.042 1.974 583 HG22 THR 73 1HG2 THR 73 -4.923 13.108 2.075 584 HG23 THR 73 2HG2 THR 73 -5.709 13.143 0.494 585 H VAL 74 H VAL 74 -2.478 11.971 -0.131 586 HA VAL 74 HA VAL 74 -1.034 12.010 2.553 587 HB VAL 74 HB VAL 74 -0.161 10.086 1.599 588 HG11 VAL 74 1HG1 VAL 74 1.160 9.989 -0.557 589 HG12 VAL 74 2HG1 VAL 74 -0.552 10.349 -0.845 590 HG13 VAL 74 3HG1 VAL 74 0.647 11.650 -0.921 591 HG21 VAL 74 3HG2 VAL 74 1.550 11.698 2.731 592 HG22 VAL 74 1HG2 VAL 74 2.259 10.495 1.628 593 HG23 VAL 74 2HG2 VAL 74 2.041 12.185 1.107 594 H PHE 75 H PHE 75 0.049 13.714 3.031 595 HA PHE 75 HA PHE 75 -0.371 16.140 1.298 596 HD1 PHE 75 HD1 PHE 75 -2.157 14.417 4.192 597 HD2 PHE 75 HD2 PHE 75 -1.862 18.418 2.629 598 HE1 PHE 75 HE1 PHE 75 -4.603 14.572 4.129 599 HE2 PHE 75 HE2 PHE 75 -4.323 18.546 2.528 600 HZ PHE 75 HZ PHE 75 -5.699 16.626 3.273 601 HB2 PHE 75 1HB PHE 75 0.088 15.755 4.310 602 HB3 PHE 75 2HB PHE 75 0.152 17.337 3.564 603 H PHE 76 H PHE 76 1.084 17.344 0.448 604 HA PHE 76 HA PHE 76 4.073 16.968 1.041 605 HD1 PHE 76 HD1 PHE 76 5.260 14.864 -0.185 606 HD2 PHE 76 HD2 PHE 76 1.646 15.423 -2.450 607 HE1 PHE 76 HE1 PHE 76 5.068 12.417 -0.535 608 HE2 PHE 76 HE2 PHE 76 1.518 13.009 -2.839 609 HZ PHE 76 HZ PHE 76 3.226 11.490 -1.857 610 HB2 PHE 76 1HB PHE 76 2.836 17.355 -1.769 611 HB3 PHE 76 2HB PHE 76 4.530 17.179 -1.395 612 H GLU 77 H GLU 77 5.346 18.778 0.704 613 HA GLU 77 HA GLU 77 4.004 21.504 0.434 614 HB2 GLU 77 1HB GLU 77 5.552 21.252 2.202 615 HB3 GLU 77 2HB GLU 77 6.803 20.546 1.214 616 HG2 GLU 77 1HG GLU 77 5.891 23.476 0.836 617 HG3 GLU 77 2HG GLU 77 7.095 22.970 2.002 618 H ASN 78 H ASN 78 6.942 20.294 -1.093 619 HA ASN 78 HA ASN 78 5.523 20.299 -3.778 620 HB2 ASN 78 1HB ASN 78 7.018 21.432 -5.016 621 HB3 ASN 78 2HB ASN 78 6.832 22.399 -3.582 622 HD21 ASN 78 1HD2 ASN 78 8.708 22.574 -2.144 623 HD22 ASN 78 2HD2 ASN 78 10.358 22.165 -2.866 624 H GLU 79 H GLU 79 8.725 19.297 -2.593 625 HA GLU 79 HA GLU 79 8.045 16.423 -3.422 626 HB2 GLU 79 1HB GLU 79 10.704 17.858 -2.831 627 HB3 GLU 79 2HB GLU 79 10.630 16.133 -2.805 628 HG2 GLU 79 1HG GLU 79 9.939 17.918 -5.176 629 HG3 GLU 79 2HG GLU 79 11.406 16.975 -4.981 630 H GLN 80 H GLN 80 8.669 18.306 -0.449 631 HA GLN 80 HA GLN 80 9.483 15.856 1.037 632 HB2 GLN 80 1HB GLN 80 9.795 17.212 2.987 633 HB3 GLN 80 2HB GLN 80 10.661 17.819 1.585 634 HG2 GLN 80 1HG GLN 80 8.787 19.574 1.257 635 HG3 GLN 80 2HG GLN 80 8.076 19.043 2.774 636 HE21 GLN 80 1HE2 GLN 80 9.650 21.544 1.656 637 HE22 GLN 80 2HE2 GLN 80 10.719 21.874 3.131 638 H VAL 81 H VAL 81 8.381 14.669 2.377 639 HA VAL 81 HA VAL 81 5.397 14.811 2.098 640 HB VAL 81 HB VAL 81 6.764 12.499 3.562 641 HG11 VAL 81 1HG1 VAL 81 4.303 12.548 3.559 642 HG12 VAL 81 2HG1 VAL 81 4.259 12.708 1.794 643 HG13 VAL 81 3HG1 VAL 81 4.866 11.209 2.542 644 HG21 VAL 81 3HG2 VAL 81 6.918 11.255 1.330 645 HG22 VAL 81 1HG2 VAL 81 6.852 12.845 0.506 646 HG23 VAL 81 2HG2 VAL 81 8.154 12.470 1.613 647 H VAL 82 H VAL 82 4.031 15.407 3.595 648 HA VAL 82 HA VAL 82 5.016 16.078 6.392 649 HB VAL 82 HB VAL 82 2.384 16.912 5.017 650 HG11 VAL 82 1HG1 VAL 82 3.728 18.004 7.592 651 HG12 VAL 82 2HG1 VAL 82 2.251 18.637 6.825 652 HG13 VAL 82 3HG1 VAL 82 2.249 17.024 7.549 653 HG21 VAL 82 3HG2 VAL 82 4.339 17.977 3.826 654 HG22 VAL 82 1HG2 VAL 82 3.458 19.178 4.778 655 HG23 VAL 82 2HG2 VAL 82 5.008 18.529 5.376 656 H ARG 83 H ARG 83 2.005 14.529 5.108 657 HA ARG 83 HA ARG 83 2.091 12.385 7.124 658 HE ARG 83 HE ARG 83 -2.829 12.886 7.782 659 HB2 ARG 83 1HB ARG 83 0.188 12.929 8.552 660 HB3 ARG 83 2HB ARG 83 1.514 14.037 8.717 661 HG2 ARG 83 1HG ARG 83 -0.282 15.443 8.871 662 HG3 ARG 83 2HG ARG 83 0.247 15.728 7.236 663 HD2 ARG 83 1HD ARG 83 -2.169 15.653 7.167 664 HD3 ARG 83 2HD ARG 83 -1.573 14.248 6.339 665 HH11 ARG 83 2HH2 ARG 83 -2.316 15.917 9.410 666 HH12 ARG 83 1HH2 ARG 83 -3.413 15.432 10.800 667 HH21 ARG 83 2HH1 ARG 83 -3.930 12.309 9.376 668 HH22 ARG 83 1HH1 ARG 83 -4.287 13.471 10.776 669 H TRP 84 H TRP 84 0.164 10.976 7.136 670 HA TRP 84 HA TRP 84 -1.153 10.871 4.428 671 HD1 TRP 84 HD1 TRP 84 0.046 6.874 6.234 672 HE1 TRP 84 HE1 TRP 84 2.284 5.906 7.255 673 HE3 TRP 84 HE3 TRP 84 3.223 10.473 4.402 674 HZ2 TRP 84 HZ2 TRP 84 4.969 6.774 7.295 675 HZ3 TRP 84 HZ3 TRP 84 5.632 10.321 4.953 676 HH2 TRP 84 HH2 TRP 84 6.495 8.513 6.354 677 HB2 TRP 84 1HB TRP 84 -0.228 8.676 3.911 678 HB3 TRP 84 2HB TRP 84 0.933 9.975 3.890 679 H GLU 85 H GLU 85 -2.870 9.804 4.215 680 HA GLU 85 HA GLU 85 -3.986 8.012 6.466 681 HB2 GLU 85 1HB GLU 85 -5.287 10.227 4.766 682 HB3 GLU 85 2HB GLU 85 -6.262 8.910 5.379 683 HG2 GLU 85 1HG GLU 85 -6.463 10.766 6.879 684 HG3 GLU 85 2HG GLU 85 -5.733 9.412 7.714 685 H GLY 86 H GLY 86 -3.965 6.024 5.758 686 HA2 GLY 86 1HA GLY 86 -4.471 5.342 2.795 687 HA3 GLY 86 2HA GLY 86 -3.347 4.496 3.834 688 H ASP 87 H ASP 87 -6.710 5.099 3.224 689 HA ASP 87 HA ASP 87 -7.465 2.348 4.370 690 HB2 ASP 87 1HB ASP 87 -8.818 4.368 5.064 691 HB3 ASP 87 2HB ASP 87 -9.329 4.605 3.393 692 H TYR 88 H TYR 88 -6.277 1.347 2.777 693 HA TYR 88 HA TYR 88 -7.266 1.481 -0.116 694 HD1 TYR 88 HD2 TYR 88 -4.468 -0.778 1.846 695 HD2 TYR 88 HD1 TYR 88 -3.152 3.073 0.438 696 HE1 TYR 88 HE2 TYR 88 -2.501 -0.896 3.314 697 HE2 TYR 88 HE1 TYR 88 -1.177 2.921 1.887 698 HH TYR 88 HH TYR 88 -0.139 1.763 3.442 699 HB2 TYR 88 1HB TYR 88 -4.974 0.775 -0.801 700 HB3 TYR 88 2HB TYR 88 -5.258 2.376 -0.188 701 H PHE 89 H PHE 89 -6.664 -0.363 -1.442 702 HA PHE 89 HA PHE 89 -8.716 -2.242 -1.037 703 HD1 PHE 89 HD1 PHE 89 -9.863 -2.476 -3.705 704 HD2 PHE 89 HD2 PHE 89 -6.222 -4.753 -3.481 705 HE1 PHE 89 HE1 PHE 89 -10.900 -4.273 -5.035 706 HE2 PHE 89 HE2 PHE 89 -7.267 -6.552 -4.813 707 HZ PHE 89 HZ PHE 89 -9.608 -6.314 -5.592 708 HB2 PHE 89 1HB PHE 89 -7.577 -1.419 -3.156 709 HB3 PHE 89 2HB PHE 89 -6.196 -2.435 -2.812 710 HA PRO 90 HA PRO 90 -6.761 -5.551 1.487 711 HB2 PRO 90 1HB PRO 90 -8.720 -7.502 1.440 712 HB3 PRO 90 2HB PRO 90 -8.938 -5.918 2.214 713 HG2 PRO 90 1HG PRO 90 -9.785 -6.687 -0.660 714 HG3 PRO 90 2HG PRO 90 -10.841 -6.040 0.629 715 HD2 PRO 90 1HD PRO 90 -9.707 -4.332 -1.219 716 HD3 PRO 90 2HD PRO 90 -9.811 -3.837 0.498 717 H SER 91 H SER 91 -5.483 -5.357 -0.666 718 HA SER 91 HA SER 91 -4.396 -8.191 -0.891 719 HG SER 91 HG SER 91 -2.935 -7.253 -3.992 720 HB2 SER 91 1HB SER 91 -5.462 -7.914 -3.093 721 HB3 SER 91 2HB SER 91 -4.691 -6.341 -3.347 722 H GLN 92 H GLN 92 -3.299 -7.289 0.897 723 HA GLN 92 HA GLN 92 -1.071 -5.292 0.225 724 HB2 GLN 92 1HB GLN 92 -1.485 -3.959 2.091 725 HB3 GLN 92 2HB GLN 92 -2.878 -4.043 1.046 726 HG2 GLN 92 1HG GLN 92 -4.035 -5.604 2.709 727 HG3 GLN 92 2HG GLN 92 -2.635 -5.515 3.758 728 HE21 GLN 92 1HE2 GLN 92 -5.299 -3.615 2.434 729 HE22 GLN 92 2HE2 GLN 92 -5.184 -2.354 3.761 730 H ASP 93 H ASP 93 -0.031 -7.291 0.007 731 HA ASP 93 HA ASP 93 2.104 -6.763 1.853 732 HB2 ASP 93 1HB ASP 93 1.039 -8.732 3.138 733 HB3 ASP 93 2HB ASP 93 1.434 -9.781 1.786 734 H GLU 94 H GLU 94 3.080 -5.990 0.119 735 HA GLU 94 HA GLU 94 1.830 -6.620 -2.294 736 HB2 GLU 94 1HB GLU 94 2.614 -4.360 -1.359 737 HB3 GLU 94 2HB GLU 94 4.184 -4.676 -2.111 738 HG2 GLU 94 1HG GLU 94 2.961 -4.995 -4.353 739 HG3 GLU 94 2HG GLU 94 1.437 -4.626 -3.546 740 H GLN 95 H GLN 95 2.683 -8.743 -2.377 741 HA GLN 95 HA GLN 95 4.979 -9.623 -3.570 742 HB2 GLN 95 1HB GLN 95 2.910 -10.925 -2.552 743 HB3 GLN 95 2HB GLN 95 2.373 -11.117 -4.206 744 HG2 GLN 95 1HG GLN 95 5.011 -12.074 -2.908 745 HG3 GLN 95 2HG GLN 95 3.634 -13.050 -3.340 746 HE21 GLN 95 1HE2 GLN 95 6.587 -11.802 -4.489 747 HE22 GLN 95 2HE2 GLN 95 6.357 -12.358 -6.224 748 H LEU 96 H LEU 96 5.582 -8.435 -5.153 749 HA LEU 96 HA LEU 96 4.610 -8.176 -7.869 750 HG LEU 96 HG LEU 96 7.320 -8.392 -9.499 751 HB2 LEU 96 1HB LEU 96 6.587 -6.989 -6.846 752 HB3 LEU 96 2HB LEU 96 7.531 -8.469 -6.955 753 HD11 LEU 96 1HD1 LEU 96 6.055 -5.608 -8.949 754 HD12 LEU 96 2HD1 LEU 96 6.672 -6.153 -10.522 755 HD13 LEU 96 3HD1 LEU 96 5.288 -6.972 -9.800 756 HD21 LEU 96 3HD2 LEU 96 8.577 -5.919 -8.120 757 HD22 LEU 96 1HD2 LEU 96 9.332 -7.522 -8.284 758 HD23 LEU 96 2HD2 LEU 96 9.002 -6.551 -9.728 759 H ALA 97 H ALA 97 3.557 -10.050 -8.434 760 HA ALA 97 HA ALA 97 4.898 -12.654 -8.625 761 HB1 ALA 97 3HB ALA 97 2.592 -12.435 -7.900 762 HB2 ALA 97 1HB ALA 97 2.084 -11.713 -9.433 763 HB3 ALA 97 2HB ALA 97 2.620 -13.408 -9.379 764 H LYS 98 H LYS 98 6.192 -13.208 -10.192 765 HA LYS 98 HA LYS 98 6.348 -11.829 -12.778 766 HB2 LYS 98 1HB LYS 98 8.324 -13.084 -13.234 767 HB3 LYS 98 2HB LYS 98 8.322 -12.358 -11.638 768 HG2 LYS 98 1HG LYS 98 7.818 -14.646 -10.607 769 HG3 LYS 98 2HG LYS 98 7.834 -15.364 -12.216 770 HD2 LYS 98 1HD LYS 98 10.227 -14.570 -12.550 771 HD3 LYS 98 2HD LYS 98 10.213 -13.861 -10.926 772 HE2 LYS 98 1HE LYS 98 9.741 -16.171 -9.928 773 HE3 LYS 98 2HE LYS 98 9.756 -16.874 -11.550 774 HZ1 LYS 98 3HZ LYS 98 12.104 -15.426 -10.302 775 HZ2 LYS 98 1HZ LYS 98 12.009 -17.056 -10.487 776 HZ3 LYS 98 2HZ LYS 98 12.116 -16.079 -11.804 777 H ALA 99 H ALA 99 4.159 -12.371 -13.395 778 HA ALA 99 HA ALA 99 3.741 -14.891 -14.912 779 HB1 ALA 99 3HB ALA 99 2.078 -12.290 -14.920 780 HB2 ALA 99 1HB ALA 99 1.589 -13.849 -15.612 781 HB3 ALA 99 2HB ALA 99 1.868 -13.708 -13.870 782 H ALA 100 H ALA 100 3.169 -11.921 -16.817 783 HA ALA 100 HA ALA 100 5.359 -12.824 -18.737 784 HB1 ALA 100 3HB ALA 100 2.792 -11.179 -19.244 785 HB2 ALA 100 1HB ALA 100 3.843 -11.939 -20.461 786 HB3 ALA 100 2HB ALA 100 2.893 -12.949 -19.347 787 HA PRO 101 HA PRO 101 6.822 -8.621 -17.252 788 HB2 PRO 101 1HB PRO 101 9.437 -9.173 -16.612 789 HB3 PRO 101 2HB PRO 101 8.059 -9.726 -15.636 790 HG2 PRO 101 1HG PRO 101 9.588 -11.343 -17.766 791 HG3 PRO 101 2HG PRO 101 9.243 -11.834 -16.087 792 HD2 PRO 101 1HD PRO 101 7.632 -12.597 -18.245 793 HD3 PRO 101 2HD PRO 101 6.934 -12.342 -16.626 794 H LYS 102 H LYS 102 6.252 -8.331 -19.519 795 HA LYS 102 HA LYS 102 8.585 -7.230 -21.132 796 HB2 LYS 102 1HB LYS 102 8.066 -9.727 -21.685 797 HB3 LYS 102 2HB LYS 102 6.517 -9.208 -22.290 798 HG2 LYS 102 1HG LYS 102 7.992 -9.528 -24.158 799 HG3 LYS 102 2HG LYS 102 7.631 -7.823 -24.068 800 HD2 LYS 102 1HD LYS 102 9.948 -8.125 -24.646 801 HD3 LYS 102 2HD LYS 102 9.865 -7.320 -23.087 802 HE2 LYS 102 1HE LYS 102 10.370 -9.512 -21.896 803 HE3 LYS 102 2HE LYS 102 10.372 -10.367 -23.444 804 HZ1 LYS 102 3HZ LYS 102 12.687 -9.697 -22.794 805 HZ2 LYS 102 1HZ LYS 102 12.272 -8.896 -24.168 806 HZ3 LYS 102 2HZ LYS 102 12.262 -8.112 -22.728 807 H GLN 103 H GLN 103 8.031 -5.446 -22.371 808 HA GLN 103 HA GLN 103 5.359 -4.219 -21.817 809 HB2 GLN 103 1HB GLN 103 7.466 -3.024 -21.543 810 HB3 GLN 103 2HB GLN 103 7.815 -3.089 -23.271 811 HG2 GLN 103 1HG GLN 103 6.020 -1.564 -23.829 812 HG3 GLN 103 2HG GLN 103 5.155 -1.868 -22.350 813 HE21 GLN 103 1HE2 GLN 103 7.990 -0.188 -23.612 814 HE22 GLN 103 2HE2 GLN 103 8.043 0.969 -22.180 815 H PHE 104 H PHE 104 4.176 -5.777 -22.925 816 HA PHE 104 HA PHE 104 3.617 -5.079 -25.871 817 HD1 PHE 104 HD1 PHE 104 4.564 -8.269 -23.337 818 HD2 PHE 104 HD2 PHE 104 0.492 -7.981 -24.700 819 HE1 PHE 104 HE1 PHE 104 3.847 -9.745 -21.506 820 HE2 PHE 104 HE2 PHE 104 -0.213 -9.493 -22.886 821 HZ PHE 104 HZ PHE 104 1.454 -10.371 -21.279 822 HB2 PHE 104 1HB PHE 104 2.329 -7.098 -26.112 823 HB3 PHE 104 2HB PHE 104 3.985 -7.420 -25.696 824 H GLY 105 H GLY 105 3.136 -3.224 -24.498 825 HA2 GLY 105 1HA GLY 105 1.014 -1.689 -23.965 826 HA3 GLY 105 2HA GLY 105 0.414 -3.122 -23.125 827 H ARG 106 H ARG 106 1.102 -0.575 -22.005 828 HA ARG 106 HA ARG 106 3.739 -0.208 -21.176 829 HE ARG 106 HE ARG 106 0.953 3.321 -18.221 830 HB2 ARG 106 1HB ARG 106 2.032 1.502 -21.240 831 HB3 ARG 106 2HB ARG 106 1.183 0.850 -19.849 832 HG2 ARG 106 1HG ARG 106 4.137 1.514 -19.420 833 HG3 ARG 106 2HG ARG 106 3.154 2.873 -19.844 834 HD2 ARG 106 1HD ARG 106 2.047 1.052 -17.620 835 HD3 ARG 106 2HD ARG 106 3.517 1.901 -17.269 836 HH11 ARG 106 2HH2 ARG 106 3.772 3.477 -16.070 837 HH12 ARG 106 1HH2 ARG 106 3.548 5.325 -16.052 838 HH21 ARG 106 2HH1 ARG 106 0.813 5.403 -17.943 839 HH22 ARG 106 1HH1 ARG 106 2.107 6.238 -16.916 840 H ASN 107 H ASN 107 5.023 -1.328 -20.034 841 HA ASN 107 HA ASN 107 4.203 -2.557 -17.327 842 HB2 ASN 107 1HB ASN 107 4.832 -4.206 -19.169 843 HB3 ASN 107 2HB ASN 107 6.433 -3.518 -19.249 844 HD21 ASN 107 1HD2 ASN 107 7.838 -3.974 -17.457 845 HD22 ASN 107 2HD2 ASN 107 7.415 -5.342 -16.306 846 H LEU 108 H LEU 108 4.503 -0.311 -16.695 847 HA LEU 108 HA LEU 108 7.273 0.183 -15.636 848 HG LEU 108 HG LEU 108 8.164 3.221 -17.772 849 HB2 LEU 108 1HB LEU 108 7.127 1.154 -18.034 850 HB3 LEU 108 2HB LEU 108 5.952 2.305 -17.463 851 HD11 LEU 108 1HD1 LEU 108 7.583 3.313 -14.746 852 HD12 LEU 108 2HD1 LEU 108 8.464 4.500 -15.718 853 HD13 LEU 108 3HD1 LEU 108 6.729 4.261 -15.979 854 HD21 LEU 108 3HD2 LEU 108 9.262 1.429 -15.509 855 HD22 LEU 108 1HD2 LEU 108 9.557 1.194 -17.246 856 HD23 LEU 108 2HD2 LEU 108 10.144 2.657 -16.437 857 H ALA 109 H ALA 109 6.755 0.380 -13.565 858 HA ALA 109 HA ALA 109 4.214 0.767 -12.481 859 HB1 ALA 109 3HB ALA 109 6.885 1.334 -11.040 860 HB2 ALA 109 1HB ALA 109 5.336 0.960 -10.259 861 HB3 ALA 109 2HB ALA 109 6.123 -0.257 -11.272 862 H ARG 110 H ARG 110 6.564 3.477 -12.538 863 HA ARG 110 HA ARG 110 4.228 5.279 -12.903 864 HE ARG 110 HE ARG 110 8.105 8.249 -8.853 865 HB2 ARG 110 1HB ARG 110 4.390 6.797 -11.217 866 HB3 ARG 110 2HB ARG 110 4.434 5.245 -10.452 867 HG2 ARG 110 1HG ARG 110 5.977 6.312 -9.183 868 HG3 ARG 110 2HG ARG 110 7.080 5.593 -10.353 869 HD2 ARG 110 1HD ARG 110 6.836 7.995 -11.628 870 HD3 ARG 110 2HD ARG 110 6.027 8.497 -10.168 871 HH11 ARG 110 2HH2 ARG 110 8.632 7.061 -12.100 872 HH12 ARG 110 1HH2 ARG 110 10.445 7.131 -11.862 873 HH21 ARG 110 2HH1 ARG 110 10.103 8.278 -8.632 874 HH22 ARG 110 1HH1 ARG 110 11.231 7.784 -9.968 875 H ASP 111 H ASP 111 4.618 6.670 -14.437 876 HA ASP 111 HA ASP 111 7.345 6.930 -15.605 877 HB2 ASP 111 1HB ASP 111 6.155 7.895 -17.546 878 HB3 ASP 111 2HB ASP 111 5.594 6.313 -17.089 879 H LYS 112 H LYS 112 7.808 9.077 -16.609 880 HA LYS 112 HA LYS 112 7.131 11.529 -15.121 881 HB2 LYS 112 1HB LYS 112 8.756 10.478 -13.496 882 HB3 LYS 112 2HB LYS 112 9.996 10.433 -14.750 883 HG2 LYS 112 1HG LYS 112 9.828 13.015 -14.902 884 HG3 LYS 112 2HG LYS 112 8.701 12.980 -13.540 885 HD2 LYS 112 1HD LYS 112 10.435 11.951 -12.067 886 HD3 LYS 112 2HD LYS 112 11.539 11.738 -13.434 887 HE2 LYS 112 1HE LYS 112 11.644 14.247 -13.784 888 HE3 LYS 112 2HE LYS 112 10.537 14.497 -12.423 889 HZ1 LYS 112 3HZ LYS 112 13.241 13.154 -12.172 890 HZ2 LYS 112 1HZ LYS 112 12.878 14.683 -11.641 891 HZ3 LYS 112 2HZ LYS 112 12.157 13.348 -10.943 892 H LYS 113 H LYS 113 6.531 11.740 -17.376 893 HA LYS 113 HA LYS 113 8.784 12.517 -19.268 894 HB2 LYS 113 1HB LYS 113 6.622 11.206 -19.901 895 HB3 LYS 113 2HB LYS 113 5.779 12.740 -19.874 896 HG2 LYS 113 1HG LYS 113 8.216 11.958 -21.622 897 HG3 LYS 113 2HG LYS 113 6.533 11.964 -22.125 898 HD2 LYS 113 1HD LYS 113 6.431 14.488 -21.740 899 HD3 LYS 113 2HD LYS 113 8.146 14.475 -21.319 900 HE2 LYS 113 1HE LYS 113 8.717 13.509 -23.608 901 HE3 LYS 113 2HE LYS 113 7.008 13.586 -24.061 902 HZ1 LYS 113 3HZ LYS 113 8.635 15.992 -23.155 903 HZ2 LYS 113 1HZ LYS 113 8.250 15.679 -24.730 904 HZ3 LYS 113 2HZ LYS 113 7.069 16.046 -23.643 905 H LYS 114 H LYS 114 9.646 14.243 -18.099 906 HA LYS 114 HA LYS 114 8.547 16.814 -19.015 907 HB2 LYS 114 1HB LYS 114 8.338 18.086 -17.045 908 HB3 LYS 114 2HB LYS 114 7.231 16.733 -16.998 909 HG2 LYS 114 1HG LYS 114 8.849 15.517 -15.410 910 HG3 LYS 114 2HG LYS 114 9.859 16.954 -15.378 911 HD2 LYS 114 1HD LYS 114 6.923 16.772 -14.431 912 HD3 LYS 114 2HD LYS 114 8.364 16.746 -13.420 913 HE2 LYS 114 1HE LYS 114 8.958 19.116 -14.347 914 HE3 LYS 114 2HE LYS 114 7.361 19.143 -15.117 915 HZ1 LYS 114 3HZ LYS 114 7.313 20.101 -12.762 916 HZ2 LYS 114 1HZ LYS 114 6.358 18.754 -12.797 917 HZ3 LYS 114 2HZ LYS 114 7.911 18.709 -12.156 918 H GLN 115 H GLN 115 10.239 17.558 -19.941 919 HA GLN 115 HA GLN 115 12.889 16.794 -19.624 920 HB2 GLN 115 1HB GLN 115 12.075 19.535 -20.784 921 HB3 GLN 115 2HB GLN 115 13.603 18.717 -21.023 922 HG2 GLN 115 1HG GLN 115 12.585 18.190 -22.996 923 HG3 GLN 115 2HG GLN 115 12.300 16.729 -22.093 924 HE21 GLN 115 1HE2 GLN 115 10.778 19.751 -23.136 925 HE22 GLN 115 2HE2 GLN 115 9.072 19.075 -23.089 926 H ARG 116 H ARG 116 11.613 19.453 -17.865 927 HA ARG 116 HA ARG 116 14.307 19.993 -16.503 928 HE ARG 116 HE ARG 116 13.221 24.058 -12.998 929 HB2 ARG 116 1HB ARG 116 12.771 21.985 -17.359 930 HB3 ARG 116 2HB ARG 116 11.778 21.679 -15.958 931 HG2 ARG 116 1HG ARG 116 14.806 22.308 -16.020 932 HG3 ARG 116 2HG ARG 116 13.564 23.502 -15.803 933 HD2 ARG 116 1HD ARG 116 13.938 21.206 -13.740 934 HD3 ARG 116 2HD ARG 116 14.949 22.610 -13.776 935 HH11 ARG 116 2HH2 ARG 116 11.829 20.959 -13.621 936 HH12 ARG 116 1HH2 ARG 116 10.647 21.070 -12.222 937 HH21 ARG 116 2HH1 ARG 116 11.770 24.304 -11.528 938 HH22 ARG 116 1HH1 ARG 116 10.523 23.018 -11.240 939 H GLY 117 H GLY 117 14.211 18.032 -15.611 940 HA2 GLY 117 1HA GLY 117 12.067 16.611 -14.551 941 HA3 GLY 117 2HA GLY 117 13.720 16.191 -14.209 942 H ARG 118 H ARG 118 11.483 18.574 -13.085 943 HA ARG 118 HA ARG 118 11.170 17.346 -10.349 944 HE ARG 118 HE ARG 118 9.995 17.588 -7.452 945 HB2 ARG 118 1HB ARG 118 13.100 18.588 -9.755 946 HB3 ARG 118 2HB ARG 118 12.728 19.936 -10.796 947 HG2 ARG 118 1HG ARG 118 12.583 20.735 -8.648 948 HG3 ARG 118 2HG ARG 118 10.976 20.776 -9.305 949 HD2 ARG 118 1HD ARG 118 12.085 18.731 -7.270 950 HD3 ARG 118 2HD ARG 118 11.177 20.156 -6.844 951 HH11 ARG 118 2HH2 ARG 118 9.325 20.904 -8.176 952 HH12 ARG 118 1HH2 ARG 118 7.529 20.549 -8.341 953 HH21 ARG 118 2HH1 ARG 118 8.127 17.289 -7.311 954 HH22 ARG 118 1HH1 ARG 118 6.865 18.594 -7.695 Start of MODEL 17 1 HA MET 1 HA MET 1 -8.764 -0.485 -35.222 2 H1 MET 1 1H MET 1 -11.139 -1.020 -35.502 3 H2 MET 1 2H MET 1 -11.579 0.016 -34.306 4 H3 MET 1 3H MET 1 -10.978 0.614 -35.718 5 HB2 MET 1 1HB MET 1 -9.849 1.594 -33.187 6 HB3 MET 1 2HB MET 1 -8.166 1.127 -33.316 7 HG2 MET 1 1HG MET 1 -8.062 1.950 -35.709 8 HG3 MET 1 2HG MET 1 -9.744 2.508 -35.587 9 HE1 MET 1 3HE MET 1 -8.980 4.971 -36.187 10 HE2 MET 1 1HE MET 1 -7.684 5.837 -35.318 11 HE3 MET 1 2HE MET 1 -7.285 4.407 -36.308 12 H ALA 2 H ALA 2 -7.631 -1.876 -33.920 13 HA ALA 2 HA ALA 2 -9.173 -3.462 -31.856 14 HB1 ALA 2 3HB ALA 2 -7.911 -4.650 -33.626 15 HB2 ALA 2 1HB ALA 2 -6.380 -3.904 -33.099 16 HB3 ALA 2 2HB ALA 2 -7.243 -5.026 -32.029 17 H GLY 3 H GLY 3 -9.239 -2.434 -29.943 18 HA2 GLY 3 1HA GLY 3 -7.053 -0.755 -28.812 19 HA3 GLY 3 2HA GLY 3 -8.544 -1.178 -28.009 20 H SER 4 H SER 4 -5.451 -2.597 -28.915 21 HA SER 4 HA SER 4 -5.549 -4.618 -26.708 22 HG SER 4 HG SER 4 -2.635 -6.028 -28.118 23 HB2 SER 4 1HB SER 4 -4.568 -5.051 -28.970 24 HB3 SER 4 2HB SER 4 -3.230 -3.946 -28.611 25 H GLY 5 H GLY 5 -5.717 -3.290 -24.895 26 HA2 GLY 5 1HA GLY 5 -3.715 -1.429 -23.883 27 HA3 GLY 5 2HA GLY 5 -4.875 -2.278 -22.886 28 H ILE 6 H ILE 6 -1.796 -2.585 -24.384 29 HA ILE 6 HA ILE 6 -0.936 -4.855 -22.658 30 HB ILE 6 HB ILE 6 -0.442 -4.895 -24.980 31 HG12 ILE 6 1HG1 ILE 6 1.990 -5.583 -24.858 32 HG13 ILE 6 2HG1 ILE 6 2.092 -4.951 -23.225 33 HG21 ILE 6 1HG2 ILE 6 1.316 -3.592 -26.068 34 HG22 ILE 6 2HG2 ILE 6 0.099 -2.494 -25.379 35 HG23 ILE 6 3HG2 ILE 6 1.672 -2.683 -24.580 36 HD11 ILE 6 3HD1 ILE 6 0.412 -6.675 -22.438 37 HD12 ILE 6 1HD1 ILE 6 0.189 -7.237 -24.116 38 HD13 ILE 6 2HD1 ILE 6 1.753 -7.436 -23.303 39 H ILE 7 H ILE 7 -1.238 -3.865 -20.689 40 HA ILE 7 HA ILE 7 0.828 -1.959 -19.659 41 HB ILE 7 HB ILE 7 -1.457 -1.853 -18.954 42 HG12 ILE 7 1HG1 ILE 7 0.194 -0.754 -17.631 43 HG13 ILE 7 2HG1 ILE 7 -1.179 -1.285 -16.689 44 HG21 ILE 7 1HG2 ILE 7 -2.506 -3.302 -17.274 45 HG22 ILE 7 2HG2 ILE 7 -2.163 -4.237 -18.735 46 HG23 ILE 7 3HG2 ILE 7 -1.140 -4.431 -17.308 47 HD11 ILE 7 3HD1 ILE 7 0.218 -3.205 -15.736 48 HD12 ILE 7 1HD1 ILE 7 1.632 -2.570 -16.608 49 HD13 ILE 7 2HD1 ILE 7 0.841 -1.585 -15.366 50 H TYR 8 H TYR 8 2.640 -3.011 -20.166 51 HA TYR 8 HA TYR 8 3.529 -5.590 -19.585 52 HD1 TYR 8 HD2 TYR 8 5.444 -6.275 -21.628 53 HD2 TYR 8 HD1 TYR 8 4.350 -2.108 -21.804 54 HE1 TYR 8 HE2 TYR 8 5.334 -6.400 -24.075 55 HE2 TYR 8 HE1 TYR 8 4.247 -2.251 -24.257 56 HH TYR 8 HH TYR 8 5.016 -5.260 -25.973 57 HB2 TYR 8 1HB TYR 8 5.275 -3.049 -19.697 58 HB3 TYR 8 2HB TYR 8 5.927 -4.661 -19.699 59 H LYS 9 H LYS 9 3.084 -6.424 -17.621 60 HA LYS 9 HA LYS 9 5.127 -5.984 -15.453 61 HB2 LYS 9 1HB LYS 9 2.082 -5.604 -15.042 62 HB3 LYS 9 2HB LYS 9 3.035 -6.322 -13.752 63 HG2 LYS 9 1HG LYS 9 4.563 -4.291 -13.725 64 HG3 LYS 9 2HG LYS 9 3.614 -3.570 -15.010 65 HD2 LYS 9 1HD LYS 9 2.943 -2.566 -12.984 66 HD3 LYS 9 2HD LYS 9 1.577 -3.496 -13.589 67 HE2 LYS 9 1HE LYS 9 1.922 -5.291 -11.899 68 HE3 LYS 9 2HE LYS 9 3.470 -4.610 -11.389 69 HZ1 LYS 9 3HZ LYS 9 2.321 -2.618 -10.539 70 HZ2 LYS 9 1HZ LYS 9 0.881 -3.024 -11.211 71 HZ3 LYS 9 2HZ LYS 9 1.406 -3.840 -9.938 72 H GLN 10 H GLN 10 5.520 -7.857 -14.309 73 HA GLN 10 HA GLN 10 4.787 -10.360 -15.692 74 HB2 GLN 10 1HB GLN 10 6.441 -9.887 -13.149 75 HB3 GLN 10 2HB GLN 10 6.127 -11.489 -13.790 76 HG2 GLN 10 1HG GLN 10 7.570 -9.257 -15.352 77 HG3 GLN 10 2HG GLN 10 8.347 -10.537 -14.431 78 HE21 GLN 10 1HE2 GLN 10 9.169 -10.405 -16.866 79 HE22 GLN 10 2HE2 GLN 10 8.409 -11.738 -17.886 80 HA PRO 11 HA PRO 11 1.133 -10.698 -13.027 81 HB2 PRO 11 1HB PRO 11 -0.335 -12.632 -14.392 82 HB3 PRO 11 2HB PRO 11 0.106 -11.071 -15.113 83 HG2 PRO 11 1HG PRO 11 1.644 -13.740 -15.389 84 HG3 PRO 11 2HG PRO 11 0.996 -12.735 -16.716 85 HD2 PRO 11 1HD PRO 11 3.624 -12.457 -15.886 86 HD3 PRO 11 2HD PRO 11 2.665 -11.023 -16.375 87 H ILE 12 H ILE 12 3.189 -11.842 -11.818 88 HA ILE 12 HA ILE 12 1.781 -13.602 -9.863 89 HB ILE 12 HB ILE 12 2.450 -15.356 -11.302 90 HG12 ILE 12 1HG1 ILE 12 4.204 -15.541 -8.767 91 HG13 ILE 12 2HG1 ILE 12 2.452 -15.494 -8.689 92 HG21 ILE 12 1HG2 ILE 12 4.771 -16.090 -11.739 93 HG22 ILE 12 2HG2 ILE 12 4.556 -14.451 -12.366 94 HG23 ILE 12 3HG2 ILE 12 5.445 -14.707 -10.852 95 HD11 ILE 12 3HD1 ILE 12 4.068 -17.684 -10.132 96 HD12 ILE 12 1HD1 ILE 12 3.122 -17.822 -8.626 97 HD13 ILE 12 2HD1 ILE 12 2.290 -17.527 -10.172 98 H TYR 13 H TYR 13 2.044 -12.070 -8.331 99 HA TYR 13 HA TYR 13 4.740 -11.408 -7.266 100 HD1 TYR 13 HD1 TYR 13 1.990 -10.065 -10.085 101 HD2 TYR 13 HD2 TYR 13 3.926 -7.044 -7.691 102 HE1 TYR 13 HE1 TYR 13 0.197 -8.478 -10.614 103 HE2 TYR 13 HE2 TYR 13 2.181 -5.461 -8.288 104 HH TYR 13 HH TYR 13 0.123 -5.168 -9.222 105 HB2 TYR 13 1HB TYR 13 4.950 -9.153 -7.780 106 HB3 TYR 13 2HB TYR 13 4.746 -9.999 -9.279 107 H GLN 14 H GLN 14 4.171 -11.877 -5.208 108 HA GLN 14 HA GLN 14 1.590 -11.236 -4.131 109 HB2 GLN 14 1HB GLN 14 2.144 -12.325 -2.177 110 HB3 GLN 14 2HB GLN 14 2.843 -13.204 -3.514 111 HG2 GLN 14 1HG GLN 14 4.348 -11.405 -1.515 112 HG3 GLN 14 2HG GLN 14 4.195 -13.149 -1.433 113 HE21 GLN 14 1HE2 GLN 14 6.650 -11.987 -1.352 114 HE22 GLN 14 2HE2 GLN 14 7.523 -12.441 -2.908 115 H GLY 15 H GLY 15 4.567 -9.455 -3.626 116 HA2 GLY 15 1HA GLY 15 3.331 -7.472 -1.678 117 HA3 GLY 15 2HA GLY 15 4.920 -7.346 -2.389 118 H ASN 16 H ASN 16 1.595 -7.371 -3.492 119 HA ASN 16 HA ASN 16 2.215 -5.620 -5.765 120 HB2 ASN 16 1HB ASN 16 0.032 -6.177 -6.632 121 HB3 ASN 16 2HB ASN 16 1.040 -7.544 -6.213 122 HD21 ASN 16 1HD2 ASN 16 -1.187 -8.497 -6.627 123 HD22 ASN 16 2HD2 ASN 16 -2.220 -8.637 -5.129 124 H LEU 17 H LEU 17 -0.646 -5.199 -3.671 125 HA LEU 17 HA LEU 17 -0.640 -2.311 -4.432 126 HG LEU 17 HG LEU 17 -3.258 -3.197 -1.678 127 HB2 LEU 17 1HB LEU 17 -2.818 -2.123 -3.834 128 HB3 LEU 17 2HB LEU 17 -2.603 -3.648 -4.648 129 HD11 LEU 17 1HD1 LEU 17 -5.130 -2.837 -3.215 130 HD12 LEU 17 2HD1 LEU 17 -4.873 -4.421 -3.999 131 HD13 LEU 17 3HD1 LEU 17 -5.384 -4.324 -2.299 132 HD21 LEU 17 3HD2 LEU 17 -3.512 -5.624 -1.409 133 HD22 LEU 17 1HD2 LEU 17 -2.961 -5.945 -3.061 134 HD23 LEU 17 2HD2 LEU 17 -1.830 -5.325 -1.839 135 H ILE 18 H ILE 18 -1.501 -3.288 -1.174 136 HA ILE 18 HA ILE 18 0.198 -1.002 -0.065 137 HB ILE 18 HB ILE 18 -2.322 -2.480 0.935 138 HG12 ILE 18 1HG1 ILE 18 -2.989 -1.047 -0.856 139 HG13 ILE 18 2HG1 ILE 18 -3.495 -0.365 0.657 140 HG21 ILE 18 1HG2 ILE 18 -1.053 -1.771 2.947 141 HG22 ILE 18 2HG2 ILE 18 -0.916 -0.108 2.338 142 HG23 ILE 18 3HG2 ILE 18 -2.505 -0.794 2.750 143 HD11 ILE 18 3HD1 ILE 18 -1.214 0.605 -1.182 144 HD12 ILE 18 1HD1 ILE 18 -2.667 1.496 -0.688 145 HD13 ILE 18 2HD1 ILE 18 -1.373 1.223 0.481 146 H LYS 19 H LYS 19 1.891 -1.533 1.052 147 HA LYS 19 HA LYS 19 2.311 -4.344 2.241 148 HB2 LYS 19 1HB LYS 19 4.464 -2.199 1.721 149 HB3 LYS 19 2HB LYS 19 4.671 -3.862 2.236 150 HG2 LYS 19 1HG LYS 19 5.194 -4.159 0.026 151 HG3 LYS 19 2HG LYS 19 3.477 -4.518 -0.057 152 HD2 LYS 19 1HD LYS 19 3.193 -1.910 -0.640 153 HD3 LYS 19 2HD LYS 19 4.932 -1.904 -0.861 154 HE2 LYS 19 1HE LYS 19 4.753 -3.632 -2.680 155 HE3 LYS 19 2HE LYS 19 3.035 -3.871 -2.340 156 HZ1 LYS 19 3HZ LYS 19 2.565 -1.561 -2.982 157 HZ2 LYS 19 1HZ LYS 19 4.173 -1.206 -3.215 158 HZ3 LYS 19 2HZ LYS 19 3.350 -2.272 -4.212 159 H GLN 20 H GLN 20 0.832 -3.742 3.949 160 HA GLN 20 HA GLN 20 0.616 -1.191 4.889 161 HB2 GLN 20 1HB GLN 20 -0.933 -3.332 5.155 162 HB3 GLN 20 2HB GLN 20 -0.246 -3.469 6.748 163 HG2 GLN 20 1HG GLN 20 -1.915 -1.212 5.495 164 HG3 GLN 20 2HG GLN 20 -2.413 -2.307 6.756 165 HE21 GLN 20 1HE2 GLN 20 -0.814 -2.012 8.826 166 HE22 GLN 20 2HE2 GLN 20 -0.655 -0.234 9.253 167 H ASN 21 H ASN 21 2.377 -3.577 6.871 168 HA ASN 21 HA ASN 21 3.120 -1.532 8.936 169 HB2 ASN 21 1HB ASN 21 4.280 -4.344 8.496 170 HB3 ASN 21 2HB ASN 21 4.806 -3.249 9.757 171 HD21 ASN 21 1HD2 ASN 21 2.981 -2.373 11.233 172 HD22 ASN 21 2HD2 ASN 21 1.774 -3.700 11.677 173 H ALA 22 H ALA 22 4.633 -2.488 5.913 174 HA ALA 22 HA ALA 22 7.099 -0.829 6.364 175 HB1 ALA 22 3HB ALA 22 5.897 -1.901 3.731 176 HB2 ALA 22 1HB ALA 22 7.485 -1.133 3.930 177 HB3 ALA 22 2HB ALA 22 7.156 -2.688 4.713 178 H VAL 23 H VAL 23 3.865 -0.233 4.865 179 HA VAL 23 HA VAL 23 4.483 2.593 4.220 180 HB VAL 23 HB VAL 23 1.673 1.437 4.632 181 HG11 VAL 23 1HG1 VAL 23 1.085 3.378 3.000 182 HG12 VAL 23 2HG1 VAL 23 1.625 3.922 4.598 183 HG13 VAL 23 3HG1 VAL 23 2.727 3.995 3.203 184 HG21 VAL 23 3HG2 VAL 23 1.516 1.099 2.219 185 HG22 VAL 23 1HG2 VAL 23 3.166 1.712 1.926 186 HG23 VAL 23 2HG2 VAL 23 2.914 0.176 2.767 187 H GLU 24 H GLU 24 2.947 1.146 7.081 188 HA GLU 24 HA GLU 24 2.775 3.600 8.679 189 HB2 GLU 24 1HB GLU 24 1.467 1.802 9.268 190 HB3 GLU 24 2HB GLU 24 2.695 0.593 9.113 191 HG2 GLU 24 1HG GLU 24 3.016 2.566 11.435 192 HG3 GLU 24 2HG GLU 24 1.763 1.334 11.495 193 H GLN 25 H GLN 25 5.385 1.153 8.595 194 HA GLN 25 HA GLN 25 7.106 2.734 10.384 195 HB2 GLN 25 1HB GLN 25 6.989 0.224 10.175 196 HB3 GLN 25 2HB GLN 25 7.823 0.313 8.622 197 HG2 GLN 25 1HG GLN 25 9.834 1.402 9.903 198 HG3 GLN 25 2HG GLN 25 8.920 1.193 11.383 199 HE21 GLN 25 1HE2 GLN 25 10.496 -0.561 8.753 200 HE22 GLN 25 2HE2 GLN 25 10.668 -2.104 9.751 201 H LEU 26 H LEU 26 7.034 2.734 6.822 202 HA LEU 26 HA LEU 26 9.645 3.538 6.266 203 HG LEU 26 HG LEU 26 6.084 4.113 5.102 204 HB2 LEU 26 1HB LEU 26 8.996 4.419 4.133 205 HB3 LEU 26 2HB LEU 26 8.280 2.890 4.557 206 HD11 LEU 26 1HD1 LEU 26 7.350 6.406 3.461 207 HD12 LEU 26 2HD1 LEU 26 5.651 6.264 3.966 208 HD13 LEU 26 3HD1 LEU 26 6.892 6.514 5.172 209 HD21 LEU 26 3HD2 LEU 26 7.136 4.166 2.186 210 HD22 LEU 26 1HD2 LEU 26 6.434 2.754 3.019 211 HD23 LEU 26 2HD2 LEU 26 5.429 4.161 2.686 212 H GLN 27 H GLN 27 7.510 5.733 7.777 213 HA GLN 27 HA GLN 27 7.649 8.099 8.215 214 HB2 GLN 27 1HB GLN 27 8.738 6.518 9.856 215 HB3 GLN 27 2HB GLN 27 10.309 6.927 9.178 216 HG2 GLN 27 1HG GLN 27 9.975 9.352 9.900 217 HG3 GLN 27 2HG GLN 27 8.350 8.970 10.442 218 HE21 GLN 27 1HE2 GLN 27 11.660 7.749 10.942 219 HE22 GLN 27 2HE2 GLN 27 11.388 7.495 12.745 220 H VAL 28 H VAL 28 8.056 8.183 5.640 221 HA VAL 28 HA VAL 28 10.525 9.679 4.942 222 HB VAL 28 HB VAL 28 8.034 8.989 3.269 223 HG11 VAL 28 1HG1 VAL 28 9.142 11.014 2.228 224 HG12 VAL 28 2HG1 VAL 28 10.715 10.191 2.259 225 HG13 VAL 28 3HG1 VAL 28 9.382 9.570 1.250 226 HG21 VAL 28 3HG2 VAL 28 10.927 7.835 3.192 227 HG22 VAL 28 1HG2 VAL 28 9.552 7.012 3.938 228 HG23 VAL 28 2HG2 VAL 28 9.546 7.311 2.193 229 H GLY 29 H GLY 29 10.830 11.726 4.979 230 HA2 GLY 29 1HA GLY 29 8.561 13.749 5.485 231 HA3 GLY 29 2HA GLY 29 10.174 13.901 6.143 232 H GLN 30 H GLN 30 11.592 13.355 3.649 233 HA GLN 30 HA GLN 30 11.120 16.101 2.394 234 HB2 GLN 30 1HB GLN 30 13.411 15.235 3.581 235 HB3 GLN 30 2HB GLN 30 13.723 14.568 1.993 236 HG2 GLN 30 1HG GLN 30 14.746 16.725 2.038 237 HG3 GLN 30 2HG GLN 30 13.347 16.947 1.005 238 HE21 GLN 30 1HE2 GLN 30 12.507 19.009 1.434 239 HE22 GLN 30 2HE2 GLN 30 12.289 19.599 3.161 240 H SER 31 H SER 31 10.696 12.856 1.389 241 HA SER 31 HA SER 31 10.945 13.719 -1.566 242 HG SER 31 HG SER 31 13.861 11.829 -1.010 243 HB2 SER 31 1HB SER 31 11.868 11.082 -0.262 244 HB3 SER 31 2HB SER 31 11.792 11.366 -2.009 245 H LYS 32 H LYS 32 8.869 13.927 -2.127 246 HA LYS 32 HA LYS 32 6.719 12.091 -1.686 247 HB2 LYS 32 1HB LYS 32 5.487 13.133 -3.373 248 HB3 LYS 32 2HB LYS 32 6.376 14.339 -2.469 249 HG2 LYS 32 1HG LYS 32 7.900 14.740 -4.421 250 HG3 LYS 32 2HG LYS 32 7.241 13.355 -5.274 251 HD2 LYS 32 1HD LYS 32 6.077 15.135 -6.278 252 HD3 LYS 32 2HD LYS 32 4.903 14.424 -5.184 253 HE2 LYS 32 1HE LYS 32 5.798 16.330 -3.451 254 HE3 LYS 32 2HE LYS 32 6.499 17.044 -4.888 255 HZ1 LYS 32 3HZ LYS 32 3.546 16.483 -4.503 256 HZ2 LYS 32 1HZ LYS 32 4.258 17.953 -4.531 257 HZ3 LYS 32 2HZ LYS 32 4.176 17.029 -5.918 258 H GLN 33 H GLN 33 9.094 11.808 -4.212 259 HA GLN 33 HA GLN 33 7.788 9.576 -5.668 260 HB2 GLN 33 1HB GLN 33 9.726 9.433 -6.988 261 HB3 GLN 33 2HB GLN 33 9.331 11.117 -6.786 262 HG2 GLN 33 1HG GLN 33 11.619 9.594 -5.367 263 HG3 GLN 33 2HG GLN 33 11.762 10.557 -6.822 264 HE21 GLN 33 1HE2 GLN 33 13.504 11.237 -5.146 265 HE22 GLN 33 2HE2 GLN 33 13.024 12.759 -4.229 266 H GLN 34 H GLN 34 9.757 9.606 -2.783 267 HA GLN 34 HA GLN 34 10.506 6.696 -2.951 268 HB2 GLN 34 1HB GLN 34 10.560 8.663 -0.582 269 HB3 GLN 34 2HB GLN 34 11.043 6.982 -0.454 270 HG2 GLN 34 1HG GLN 34 12.393 9.029 -2.343 271 HG3 GLN 34 2HG GLN 34 12.923 8.633 -0.728 272 HE21 GLN 34 1HE2 GLN 34 12.869 7.497 -4.014 273 HE22 GLN 34 2HE2 GLN 34 13.976 6.069 -3.653 274 H VAL 35 H VAL 35 7.946 8.471 -1.143 275 HA VAL 35 HA VAL 35 6.702 5.940 -0.166 276 HB VAL 35 HB VAL 35 6.533 8.171 1.009 277 HG11 VAL 35 1HG1 VAL 35 5.856 9.649 -0.976 278 HG12 VAL 35 2HG1 VAL 35 4.272 8.882 -0.977 279 HG13 VAL 35 3HG1 VAL 35 4.807 9.810 0.444 280 HG21 VAL 35 3HG2 VAL 35 5.098 6.288 1.670 281 HG22 VAL 35 1HG2 VAL 35 4.235 7.828 1.852 282 HG23 VAL 35 2HG2 VAL 35 3.853 6.746 0.487 283 H SER 36 H SER 36 6.043 8.009 -2.956 284 HA SER 36 HA SER 36 3.787 6.325 -3.917 285 HG SER 36 HG SER 36 3.705 7.319 -6.714 286 HB2 SER 36 1HB SER 36 4.352 8.874 -4.425 287 HB3 SER 36 2HB SER 36 5.457 8.262 -5.654 288 H ALA 37 H ALA 37 7.284 6.208 -4.679 289 HA ALA 37 HA ALA 37 6.975 4.008 -6.652 290 HB1 ALA 37 3HB ALA 37 9.455 3.725 -6.329 291 HB2 ALA 37 1HB ALA 37 9.028 5.429 -6.567 292 HB3 ALA 37 2HB ALA 37 9.414 4.832 -4.935 293 H LEU 38 H LEU 38 7.585 3.962 -3.109 294 HA LEU 38 HA LEU 38 7.680 1.004 -2.917 295 HG LEU 38 HG LEU 38 9.036 0.696 -0.856 296 HB2 LEU 38 1HB LEU 38 7.343 3.291 -0.898 297 HB3 LEU 38 2HB LEU 38 6.826 1.701 -0.398 298 HD11 LEU 38 1HD1 LEU 38 9.982 2.313 -2.576 299 HD12 LEU 38 2HD1 LEU 38 10.045 3.588 -1.343 300 HD13 LEU 38 3HD1 LEU 38 11.050 2.134 -1.177 301 HD21 LEU 38 3HD2 LEU 38 10.138 1.734 1.142 302 HD22 LEU 38 1HD2 LEU 38 9.075 3.154 1.027 303 HD23 LEU 38 2HD2 LEU 38 8.399 1.556 1.425 304 H LEU 39 H LEU 39 4.925 3.220 -2.442 305 HA LEU 39 HA LEU 39 2.879 1.073 -2.301 306 HG LEU 39 HG LEU 39 3.199 3.281 -0.557 307 HB2 LEU 39 1HB LEU 39 2.816 4.062 -3.020 308 HB3 LEU 39 2HB LEU 39 1.358 3.112 -3.036 309 HD11 LEU 39 1HD1 LEU 39 2.458 5.584 -1.167 310 HD12 LEU 39 2HD1 LEU 39 0.751 5.040 -1.191 311 HD13 LEU 39 3HD1 LEU 39 1.691 4.995 0.312 312 HD21 LEU 39 3HD2 LEU 39 0.985 2.705 0.582 313 HD22 LEU 39 1HD2 LEU 39 0.283 2.325 -0.993 314 HD23 LEU 39 2HD2 LEU 39 1.652 1.378 -0.378 315 H GLY 40 H GLY 40 4.241 2.817 -5.039 316 HA2 GLY 40 1HA GLY 40 4.474 1.802 -7.295 317 HA3 GLY 40 2HA GLY 40 3.151 0.710 -6.967 318 H THR 41 H THR 41 3.803 4.174 -7.240 319 HA THR 41 HA THR 41 1.656 4.645 -9.301 320 HB THR 41 HB THR 41 1.470 5.793 -6.426 321 HG1 THR 41 HG1 THR 41 0.610 3.622 -7.429 322 HG21 THR 41 3HG2 THR 41 -0.445 6.396 -8.787 323 HG22 THR 41 1HG2 THR 41 -0.657 6.869 -7.104 324 HG23 THR 41 2HG2 THR 41 0.662 7.575 -8.041 325 HA PRO 42 HA PRO 42 4.842 7.948 -9.978 326 HB2 PRO 42 1HB PRO 42 3.619 9.488 -11.939 327 HB3 PRO 42 2HB PRO 42 4.263 7.855 -12.227 328 HG2 PRO 42 1HG PRO 42 1.354 8.611 -11.549 329 HG3 PRO 42 2HG PRO 42 1.905 7.645 -12.949 330 HD2 PRO 42 1HD PRO 42 1.008 6.428 -10.635 331 HD3 PRO 42 2HD PRO 42 2.396 5.717 -11.516 332 H SER 43 H SER 43 5.295 9.847 -8.954 333 HA SER 43 HA SER 43 3.244 11.176 -7.250 334 HG SER 43 HG SER 43 6.442 12.368 -8.292 335 HB2 SER 43 1HB SER 43 5.197 12.272 -6.220 336 HB3 SER 43 2HB SER 43 5.449 10.548 -6.327 337 H ILE 44 H ILE 44 3.596 13.545 -7.104 338 HA ILE 44 HA ILE 44 2.894 14.746 -9.856 339 HB ILE 44 HB ILE 44 1.623 15.500 -7.156 340 HG12 ILE 44 1HG1 ILE 44 0.398 13.857 -9.483 341 HG13 ILE 44 2HG1 ILE 44 1.009 13.140 -8.003 342 HG21 ILE 44 1HG2 ILE 44 1.605 17.395 -8.852 343 HG22 ILE 44 2HG2 ILE 44 0.870 16.322 -10.061 344 HG23 ILE 44 3HG2 ILE 44 -0.013 16.787 -8.588 345 HD11 ILE 44 3HD1 ILE 44 -1.395 15.038 -8.184 346 HD12 ILE 44 1HD1 ILE 44 -1.360 13.330 -7.704 347 HD13 ILE 44 2HD1 ILE 44 -0.637 14.572 -6.645 348 HA PRO 45 HA PRO 45 6.046 17.890 -8.466 349 HB2 PRO 45 1HB PRO 45 7.793 17.794 -10.556 350 HB3 PRO 45 2HB PRO 45 7.712 16.494 -9.343 351 HG2 PRO 45 1HG PRO 45 6.368 16.537 -12.121 352 HG3 PRO 45 2HG PRO 45 7.408 15.251 -11.453 353 HD2 PRO 45 1HD PRO 45 4.596 15.166 -11.287 354 HD3 PRO 45 2HD PRO 45 5.637 14.429 -10.048 355 H ASP 46 H ASP 46 3.998 19.174 -8.753 356 HA ASP 46 HA ASP 46 3.585 20.711 -11.207 357 HB2 ASP 46 1HB ASP 46 2.760 21.924 -8.556 358 HB3 ASP 46 2HB ASP 46 2.075 22.099 -10.137 359 HA PRO 47 HA PRO 47 7.397 23.180 -10.345 360 HB2 PRO 47 1HB PRO 47 7.651 24.557 -12.764 361 HB3 PRO 47 2HB PRO 47 7.982 22.823 -12.565 362 HG2 PRO 47 1HG PRO 47 5.338 24.094 -13.529 363 HG3 PRO 47 2HG PRO 47 6.293 22.839 -14.363 364 HD2 PRO 47 1HD PRO 47 4.161 22.138 -12.754 365 HD3 PRO 47 2HD PRO 47 5.644 21.137 -12.732 366 H PHE 48 H PHE 48 4.353 24.510 -10.603 367 HA PHE 48 HA PHE 48 5.174 27.299 -9.672 368 HD1 PHE 48 HD1 PHE 48 3.532 29.433 -10.715 369 HD2 PHE 48 HD2 PHE 48 1.381 27.062 -7.832 370 HE1 PHE 48 HE1 PHE 48 2.625 31.483 -9.694 371 HE2 PHE 48 HE2 PHE 48 0.483 29.121 -6.820 372 HZ PHE 48 HZ PHE 48 1.102 31.335 -7.745 373 HB2 PHE 48 1HB PHE 48 3.120 26.928 -11.081 374 HB3 PHE 48 2HB PHE 48 2.389 25.968 -9.821 375 H HIS 49 H HIS 49 3.414 24.538 -8.204 376 HA HIS 49 HA HIS 49 4.930 24.707 -5.663 377 HD1 HIS 49 HD1 HIS 49 5.120 24.890 -3.221 378 HD2 HIS 49 HD2 HIS 49 0.910 25.451 -3.280 379 HE1 HIS 49 HE1 HIS 49 4.182 24.660 -0.851 380 HB2 HIS 49 1HB HIS 49 3.394 26.639 -5.362 381 HB3 HIS 49 2HB HIS 49 1.993 25.603 -5.586 382 H ALA 50 H ALA 50 5.308 22.550 -5.865 383 HA ALA 50 HA ALA 50 3.522 20.652 -6.976 384 HB1 ALA 50 3HB ALA 50 5.949 20.626 -7.143 385 HB2 ALA 50 1HB ALA 50 6.128 20.219 -5.424 386 HB3 ALA 50 2HB ALA 50 5.357 19.084 -6.544 387 H GLN 51 H GLN 51 1.624 20.209 -6.055 388 HA GLN 51 HA GLN 51 1.456 20.033 -3.011 389 HB2 GLN 51 1HB GLN 51 -0.523 20.716 -5.261 390 HB3 GLN 51 2HB GLN 51 -1.081 20.531 -3.621 391 HG2 GLN 51 1HG GLN 51 0.216 22.315 -2.715 392 HG3 GLN 51 2HG GLN 51 1.261 22.448 -4.088 393 HE21 GLN 51 1HE2 GLN 51 0.396 23.336 -6.061 394 HE22 GLN 51 2HE2 GLN 51 -1.067 24.463 -5.957 395 H ARG 52 H ARG 52 -0.963 18.930 -2.626 396 HA ARG 52 HA ARG 52 -0.200 16.316 -1.906 397 HE ARG 52 HE ARG 52 -6.112 18.399 -3.190 398 HB2 ARG 52 1HB ARG 52 -2.250 16.087 -0.827 399 HB3 ARG 52 2HB ARG 52 -1.945 17.790 -0.814 400 HG2 ARG 52 1HG ARG 52 -3.908 16.159 -2.535 401 HG3 ARG 52 2HG ARG 52 -4.319 17.169 -1.169 402 HD2 ARG 52 1HD ARG 52 -3.929 19.235 -2.409 403 HD3 ARG 52 2HD ARG 52 -3.120 18.427 -3.732 404 HH11 ARG 52 2HH2 ARG 52 -3.543 16.991 -5.155 405 HH12 ARG 52 1HH2 ARG 52 -4.750 16.633 -6.491 406 HH21 ARG 52 2HH1 ARG 52 -7.394 17.828 -4.708 407 HH22 ARG 52 1HH1 ARG 52 -6.760 16.978 -6.193 408 H TRP 53 H TRP 53 -0.907 14.274 -2.304 409 HA TRP 53 HA TRP 53 -2.004 13.563 -5.095 410 HD1 TRP 53 HD1 TRP 53 -2.906 10.687 -5.512 411 HE1 TRP 53 HE1 TRP 53 -2.642 8.093 -5.647 412 HE3 TRP 53 HE3 TRP 53 1.651 10.402 -3.145 413 HZ2 TRP 53 HZ2 TRP 53 -0.773 6.247 -4.534 414 HZ3 TRP 53 HZ3 TRP 53 2.565 8.157 -2.630 415 HH2 TRP 53 HH2 TRP 53 1.373 6.127 -3.292 416 HB2 TRP 53 1HB TRP 53 0.127 12.578 -4.836 417 HB3 TRP 53 2HB TRP 53 -0.130 12.163 -3.145 418 H ASP 54 H ASP 54 -4.101 14.061 -4.544 419 HA ASP 54 HA ASP 54 -5.477 12.307 -2.404 420 HB2 ASP 54 1HB ASP 54 -5.642 14.741 -1.970 421 HB3 ASP 54 2HB ASP 54 -6.345 15.022 -3.562 422 H TYR 55 H TYR 55 -5.115 10.720 -4.318 423 HA TYR 55 HA TYR 55 -7.565 10.742 -6.158 424 HD1 TYR 55 HD2 TYR 55 -7.498 12.051 -8.562 425 HD2 TYR 55 HD1 TYR 55 -3.580 12.299 -6.789 426 HE1 TYR 55 HE2 TYR 55 -7.460 14.472 -8.953 427 HE2 TYR 55 HE1 TYR 55 -3.572 14.699 -7.130 428 HH TYR 55 HH TYR 55 -6.043 16.338 -8.972 429 HB2 TYR 55 1HB TYR 55 -4.641 10.100 -6.962 430 HB3 TYR 55 2HB TYR 55 -6.038 9.901 -7.995 431 H THR 56 H THR 56 -8.663 8.914 -6.203 432 HA THR 56 HA THR 56 -7.910 6.379 -4.946 433 HB THR 56 HB THR 56 -9.971 6.892 -7.187 434 HG1 THR 56 HG1 THR 56 -10.325 6.680 -4.364 435 HG21 THR 56 3HG2 THR 56 -11.134 4.877 -6.308 436 HG22 THR 56 1HG2 THR 56 -9.510 4.415 -6.860 437 HG23 THR 56 2HG2 THR 56 -9.837 4.570 -5.133 438 H SER 57 H SER 57 -6.058 5.490 -5.577 439 HA SER 57 HA SER 57 -5.140 5.730 -8.453 440 HG SER 57 HG SER 57 -4.650 7.363 -6.155 441 HB2 SER 57 1HB SER 57 -3.583 5.282 -5.822 442 HB3 SER 57 2HB SER 57 -2.862 5.506 -7.415 443 H THR 58 H THR 58 -4.274 4.075 -9.623 444 HA THR 58 HA THR 58 -3.893 1.412 -8.401 445 HB THR 58 HB THR 58 -6.301 1.386 -9.011 446 HG1 THR 58 HG1 THR 58 -5.119 -0.394 -8.610 447 HG21 THR 58 3HG2 THR 58 -6.304 2.399 -11.330 448 HG22 THR 58 1HG2 THR 58 -5.341 1.027 -11.927 449 HG23 THR 58 2HG2 THR 58 -6.970 0.753 -11.277 450 H GLN 59 H GLN 59 -3.063 -0.134 -9.811 451 HA GLN 59 HA GLN 59 -1.329 0.732 -12.103 452 HB2 GLN 59 1HB GLN 59 -0.079 1.532 -10.031 453 HB3 GLN 59 2HB GLN 59 -0.101 -0.111 -9.405 454 HG2 GLN 59 1HG GLN 59 1.290 -0.649 -11.703 455 HG3 GLN 59 2HG GLN 59 1.506 1.076 -11.733 456 HE21 GLN 59 1HE2 GLN 59 1.598 -1.250 -8.914 457 HE22 GLN 59 2HE2 GLN 59 3.370 -0.853 -8.640 458 H ARG 60 H ARG 60 -3.187 -0.976 -12.521 459 HA ARG 60 HA ARG 60 -2.596 -3.680 -11.444 460 HE ARG 60 HE ARG 60 -7.075 -4.279 -15.142 461 HB2 ARG 60 1HB ARG 60 -4.645 -4.307 -11.738 462 HB3 ARG 60 2HB ARG 60 -4.863 -2.599 -11.439 463 HG2 ARG 60 1HG ARG 60 -5.315 -2.286 -13.969 464 HG3 ARG 60 2HG ARG 60 -5.031 -4.012 -14.187 465 HD2 ARG 60 1HD ARG 60 -6.913 -4.360 -12.321 466 HD3 ARG 60 2HD ARG 60 -7.335 -2.659 -12.639 467 HH11 ARG 60 2HH2 ARG 60 -9.263 -3.984 -12.413 468 HH12 ARG 60 1HH2 ARG 60 -10.623 -4.690 -13.427 469 HH21 ARG 60 2HH1 ARG 60 -8.630 -4.981 -16.182 470 HH22 ARG 60 1HH1 ARG 60 -10.218 -5.382 -15.399 471 H VAL 61 H VAL 61 -1.835 -5.424 -12.458 472 HA VAL 61 HA VAL 61 -0.861 -5.395 -15.204 473 HB VAL 61 HB VAL 61 0.188 -6.667 -13.405 474 HG11 VAL 61 1HG1 VAL 61 -2.071 -8.764 -13.686 475 HG12 VAL 61 2HG1 VAL 61 -0.567 -8.949 -12.764 476 HG13 VAL 61 3HG1 VAL 61 -1.770 -7.759 -12.246 477 HG21 VAL 61 3HG2 VAL 61 0.923 -8.564 -14.750 478 HG22 VAL 61 1HG2 VAL 61 -0.528 -8.496 -15.781 479 HG23 VAL 61 2HG2 VAL 61 0.650 -7.176 -15.820 480 H ASP 62 H ASP 62 -3.968 -6.609 -14.012 481 HA ASP 62 HA ASP 62 -4.391 -8.233 -16.464 482 HB2 ASP 62 1HB ASP 62 -4.998 -8.915 -14.126 483 HB3 ASP 62 2HB ASP 62 -6.274 -7.691 -14.094 484 H ARG 63 H ARG 63 -6.084 -8.177 -17.712 485 HA ARG 63 HA ARG 63 -7.397 -5.547 -18.571 486 HE ARG 63 HE ARG 63 -4.269 -5.839 -22.449 487 HB2 ARG 63 1HB ARG 63 -7.287 -8.250 -20.040 488 HB3 ARG 63 2HB ARG 63 -8.260 -6.868 -20.551 489 HG2 ARG 63 1HG ARG 63 -6.186 -5.446 -20.798 490 HG3 ARG 63 2HG ARG 63 -5.181 -6.805 -20.282 491 HD2 ARG 63 1HD ARG 63 -6.039 -8.185 -22.244 492 HD3 ARG 63 2HD ARG 63 -7.007 -6.785 -22.785 493 HH11 ARG 63 2HH2 ARG 63 -6.048 -7.940 -24.592 494 HH12 ARG 63 1HH2 ARG 63 -4.834 -7.678 -25.940 495 HH21 ARG 63 2HH1 ARG 63 -2.957 -5.594 -23.972 496 HH22 ARG 63 1HH1 ARG 63 -3.246 -6.296 -25.631 497 H LEU 64 H LEU 64 -8.145 -8.736 -17.105 498 HA LEU 64 HA LEU 64 -11.111 -8.223 -17.333 499 HG LEU 64 HG LEU 64 -10.692 -11.949 -17.894 500 HB2 LEU 64 1HB LEU 64 -9.464 -10.613 -16.292 501 HB3 LEU 64 2HB LEU 64 -11.197 -10.522 -16.137 502 HD11 LEU 64 1HD1 LEU 64 -11.783 -9.385 -19.224 503 HD12 LEU 64 2HD1 LEU 64 -12.065 -11.065 -19.715 504 HD13 LEU 64 3HD1 LEU 64 -12.714 -10.472 -18.168 505 HD21 LEU 64 3HD2 LEU 64 -8.423 -11.077 -18.579 506 HD22 LEU 64 1HD2 LEU 64 -9.486 -11.460 -19.949 507 HD23 LEU 64 2HD2 LEU 64 -9.211 -9.769 -19.487 508 H ALA 65 H ALA 65 -9.371 -9.392 -14.394 509 HA ALA 65 HA ALA 65 -10.693 -7.283 -12.708 510 HB1 ALA 65 3HB ALA 65 -11.896 -10.124 -12.623 511 HB2 ALA 65 1HB ALA 65 -12.260 -8.811 -11.478 512 HB3 ALA 65 2HB ALA 65 -12.681 -8.627 -13.192 513 H ARG 66 H ARG 66 -8.673 -7.011 -12.007 514 HA ARG 66 HA ARG 66 -7.781 -8.450 -9.567 515 HE ARG 66 HE ARG 66 -2.715 -10.258 -9.659 516 HB2 ARG 66 1HB ARG 66 -6.947 -10.071 -11.302 517 HB3 ARG 66 2HB ARG 66 -6.187 -8.770 -12.171 518 HG2 ARG 66 1HG ARG 66 -4.695 -8.490 -9.905 519 HG3 ARG 66 2HG ARG 66 -5.307 -10.106 -9.557 520 HD2 ARG 66 1HD ARG 66 -4.549 -10.719 -12.027 521 HD3 ARG 66 2HD ARG 66 -3.764 -9.140 -12.063 522 HH11 ARG 66 2HH2 ARG 66 -2.993 -11.715 -12.842 523 HH12 ARG 66 1HH2 ARG 66 -1.439 -12.650 -12.541 524 HH21 ARG 66 2HH1 ARG 66 -1.049 -11.232 -9.447 525 HH22 ARG 66 1HH1 ARG 66 -0.384 -12.402 -10.751 526 H THR 67 H THR 67 -8.151 -6.250 -9.001 527 HA THR 67 HA THR 67 -6.322 -4.140 -10.174 528 HB THR 67 HB THR 67 -8.747 -3.693 -8.358 529 HG1 THR 67 HG1 THR 67 -9.871 -4.331 -9.946 530 HG21 THR 67 3HG2 THR 67 -8.820 -1.493 -9.694 531 HG22 THR 67 1HG2 THR 67 -7.401 -1.623 -8.644 532 HG23 THR 67 2HG2 THR 67 -7.227 -1.907 -10.384 533 H GLU 68 H GLU 68 -4.746 -3.103 -9.121 534 HA GLU 68 HA GLU 68 -4.206 -3.508 -6.182 535 HB2 GLU 68 1HB GLU 68 -2.863 -1.790 -8.385 536 HB3 GLU 68 2HB GLU 68 -2.418 -1.721 -6.699 537 HG2 GLU 68 1HG GLU 68 -1.729 -4.149 -6.722 538 HG3 GLU 68 2HG GLU 68 -2.167 -4.254 -8.414 539 H ILE 69 H ILE 69 -6.125 -2.598 -5.304 540 HA ILE 69 HA ILE 69 -6.922 0.182 -5.931 541 HB ILE 69 HB ILE 69 -8.225 -1.369 -3.641 542 HG12 ILE 69 1HG1 ILE 69 -9.923 -2.076 -5.630 543 HG13 ILE 69 2HG1 ILE 69 -8.459 -2.124 -6.586 544 HG21 ILE 69 1HG2 ILE 69 -8.928 1.002 -4.093 545 HG22 ILE 69 2HG2 ILE 69 -9.345 0.577 -5.776 546 HG23 ILE 69 3HG2 ILE 69 -10.230 -0.149 -4.412 547 HD11 ILE 69 3HD1 ILE 69 -9.076 -3.701 -3.990 548 HD12 ILE 69 1HD1 ILE 69 -8.868 -4.361 -5.629 549 HD13 ILE 69 2HD1 ILE 69 -7.477 -3.747 -4.738 550 H LYS 70 H LYS 70 -6.210 1.923 -4.936 551 HA LYS 70 HA LYS 70 -5.317 1.954 -2.045 552 HB2 LYS 70 1HB LYS 70 -3.015 2.746 -2.659 553 HB3 LYS 70 2HB LYS 70 -3.433 1.049 -2.848 554 HG2 LYS 70 1HG LYS 70 -3.765 1.512 -5.383 555 HG3 LYS 70 2HG LYS 70 -3.011 3.079 -5.120 556 HD2 LYS 70 1HD LYS 70 -0.902 1.953 -4.337 557 HD3 LYS 70 2HD LYS 70 -1.711 0.376 -4.303 558 HE2 LYS 70 1HE LYS 70 -2.156 0.559 -6.825 559 HE3 LYS 70 2HE LYS 70 -1.290 2.091 -6.851 560 HZ1 LYS 70 3HZ LYS 70 -0.104 -0.589 -6.900 561 HZ2 LYS 70 1HZ LYS 70 0.597 0.901 -7.102 562 HZ3 LYS 70 2HZ LYS 70 0.504 0.291 -5.599 563 H ASN 71 H ASN 71 -7.043 3.341 -1.799 564 HA ASN 71 HA ASN 71 -6.868 6.166 -2.845 565 HB2 ASN 71 1HB ASN 71 -8.430 5.293 -0.343 566 HB3 ASN 71 2HB ASN 71 -8.522 6.804 -1.171 567 HD21 ASN 71 1HD2 ASN 71 -9.787 3.691 -0.999 568 HD22 ASN 71 2HD2 ASN 71 -10.994 3.971 -2.353 569 H PHE 72 H PHE 72 -4.719 6.616 -2.323 570 HA PHE 72 HA PHE 72 -4.005 7.024 0.647 571 HD1 PHE 72 HD2 PHE 72 -2.129 5.504 1.764 572 HD2 PHE 72 HD1 PHE 72 -0.247 8.131 -1.062 573 HE1 PHE 72 HE2 PHE 72 -0.179 5.713 3.257 574 HE2 PHE 72 HE1 PHE 72 1.710 8.325 0.426 575 HZ PHE 72 HZ PHE 72 1.745 7.120 2.596 576 HB2 PHE 72 1HB PHE 72 -2.641 5.450 -0.822 577 HB3 PHE 72 2HB PHE 72 -2.143 6.813 -1.798 578 H THR 73 H THR 73 -4.930 8.975 1.060 579 HA THR 73 HA THR 73 -4.399 11.374 -0.707 580 HB THR 73 HB THR 73 -6.095 11.094 1.789 581 HG1 THR 73 HG1 THR 73 -7.081 12.076 -0.610 582 HG21 THR 73 3HG2 THR 73 -6.816 13.402 1.337 583 HG22 THR 73 1HG2 THR 73 -5.080 13.449 1.647 584 HG23 THR 73 2HG2 THR 73 -5.659 13.559 -0.020 585 H VAL 74 H VAL 74 -2.357 11.910 -0.564 586 HA VAL 74 HA VAL 74 -1.073 12.297 2.196 587 HB VAL 74 HB VAL 74 -0.217 10.310 1.266 588 HG11 VAL 74 1HG1 VAL 74 1.314 10.294 -0.753 589 HG12 VAL 74 2HG1 VAL 74 -0.385 10.595 -1.179 590 HG13 VAL 74 3HG1 VAL 74 0.769 11.940 -1.148 591 HG21 VAL 74 3HG2 VAL 74 1.356 11.835 2.621 592 HG22 VAL 74 1HG2 VAL 74 2.195 10.726 1.515 593 HG23 VAL 74 2HG2 VAL 74 2.000 12.439 1.075 594 H PHE 75 H PHE 75 -0.265 14.087 2.661 595 HA PHE 75 HA PHE 75 -0.707 16.405 0.771 596 HD1 PHE 75 HD2 PHE 75 -2.562 18.395 1.772 597 HD2 PHE 75 HD1 PHE 75 -2.271 14.761 4.058 598 HE1 PHE 75 HE2 PHE 75 -5.008 18.181 1.758 599 HE2 PHE 75 HE1 PHE 75 -4.719 14.549 4.027 600 HZ PHE 75 HZ PHE 75 -6.099 16.256 2.933 601 HB2 PHE 75 1HB PHE 75 -0.255 16.251 3.821 602 HB3 PHE 75 2HB PHE 75 -0.384 17.759 2.949 603 H PHE 76 H PHE 76 0.856 17.222 -0.313 604 HA PHE 76 HA PHE 76 3.757 17.044 0.643 605 HD1 PHE 76 HD1 PHE 76 4.775 14.891 0.013 606 HD2 PHE 76 HD2 PHE 76 2.063 15.278 -3.281 607 HE1 PHE 76 HE1 PHE 76 4.621 12.412 -0.167 608 HE2 PHE 76 HE2 PHE 76 2.086 12.838 -3.585 609 HZ PHE 76 HZ PHE 76 3.347 11.402 -1.994 610 HB2 PHE 76 1HB PHE 76 2.841 17.279 -2.272 611 HB3 PHE 76 2HB PHE 76 4.483 17.151 -1.686 612 H GLU 77 H GLU 77 4.939 18.902 0.602 613 HA GLU 77 HA GLU 77 3.353 21.511 0.438 614 HB2 GLU 77 1HB GLU 77 4.548 20.927 2.506 615 HB3 GLU 77 2HB GLU 77 6.089 20.865 1.681 616 HG2 GLU 77 1HG GLU 77 4.339 23.403 1.927 617 HG3 GLU 77 2HG GLU 77 5.603 22.941 3.048 618 H ASN 78 H ASN 78 6.710 20.821 -0.396 619 HA ASN 78 HA ASN 78 6.059 21.396 -3.355 620 HB2 ASN 78 1HB ASN 78 8.659 22.152 -1.855 621 HB3 ASN 78 2HB ASN 78 8.540 22.083 -3.597 622 HD21 ASN 78 1HD2 ASN 78 7.659 24.004 -0.849 623 HD22 ASN 78 2HD2 ASN 78 7.113 25.386 -1.892 624 H GLU 79 H GLU 79 9.217 20.028 -2.430 625 HA GLU 79 HA GLU 79 8.457 17.396 -3.645 626 HB2 GLU 79 1HB GLU 79 10.703 16.874 -3.607 627 HB3 GLU 79 2HB GLU 79 10.600 18.538 -4.108 628 HG2 GLU 79 1HG GLU 79 11.670 17.368 -1.502 629 HG3 GLU 79 2HG GLU 79 12.526 18.278 -2.713 630 H GLN 80 H GLN 80 8.281 18.715 -0.553 631 HA GLN 80 HA GLN 80 9.089 16.232 0.909 632 HB2 GLN 80 1HB GLN 80 9.371 17.665 2.846 633 HB3 GLN 80 2HB GLN 80 10.168 18.310 1.428 634 HG2 GLN 80 1HG GLN 80 8.227 19.979 1.153 635 HG3 GLN 80 2HG GLN 80 7.530 19.356 2.651 636 HE21 GLN 80 1HE2 GLN 80 8.518 22.097 2.002 637 HE22 GLN 80 2HE2 GLN 80 9.797 22.350 3.303 638 H VAL 81 H VAL 81 7.994 15.259 2.615 639 HA VAL 81 HA VAL 81 5.010 15.102 2.070 640 HB VAL 81 HB VAL 81 6.615 13.106 3.758 641 HG11 VAL 81 1HG1 VAL 81 4.135 12.899 3.890 642 HG12 VAL 81 2HG1 VAL 81 4.014 12.901 2.117 643 HG13 VAL 81 3HG1 VAL 81 4.775 11.531 2.966 644 HG21 VAL 81 3HG2 VAL 81 6.768 11.596 1.697 645 HG22 VAL 81 1HG2 VAL 81 6.464 13.043 0.687 646 HG23 VAL 81 2HG2 VAL 81 7.871 12.983 1.720 647 H VAL 82 H VAL 82 3.610 15.929 3.422 648 HA VAL 82 HA VAL 82 4.411 16.756 6.233 649 HB VAL 82 HB VAL 82 1.799 17.320 4.689 650 HG11 VAL 82 1HG1 VAL 82 2.850 18.551 7.336 651 HG12 VAL 82 2HG1 VAL 82 1.394 19.060 6.447 652 HG13 VAL 82 3HG1 VAL 82 1.457 17.458 7.192 653 HG21 VAL 82 3HG2 VAL 82 3.726 18.520 3.612 654 HG22 VAL 82 1HG2 VAL 82 2.680 19.662 4.464 655 HG23 VAL 82 2HG2 VAL 82 4.236 19.172 5.184 656 H ARG 83 H ARG 83 1.514 15.025 4.931 657 HA ARG 83 HA ARG 83 1.984 12.734 6.657 658 HE ARG 83 HE ARG 83 -1.936 12.277 8.136 659 HB2 ARG 83 1HB ARG 83 0.225 12.738 8.284 660 HB3 ARG 83 2HB ARG 83 1.294 14.079 8.500 661 HG2 ARG 83 1HG ARG 83 -0.808 14.897 9.039 662 HG3 ARG 83 2HG ARG 83 -0.367 15.674 7.539 663 HD2 ARG 83 1HD ARG 83 -2.725 15.173 7.586 664 HD3 ARG 83 2HD ARG 83 -1.982 14.276 6.263 665 HH11 ARG 83 2HH2 ARG 83 -4.615 14.433 7.399 666 HH12 ARG 83 1HH2 ARG 83 -5.778 13.021 7.667 667 HH21 ARG 83 2HH1 ARG 83 -3.363 10.784 8.230 668 HH22 ARG 83 1HH1 ARG 83 -5.149 11.238 8.131 669 H TRP 84 H TRP 84 0.491 11.012 6.515 670 HA TRP 84 HA TRP 84 -1.181 11.096 3.977 671 HD1 TRP 84 HD1 TRP 84 -0.356 6.677 5.642 672 HE1 TRP 84 HE1 TRP 84 1.834 5.708 6.751 673 HE3 TRP 84 HE3 TRP 84 2.755 10.606 4.480 674 HZ2 TRP 84 HZ2 TRP 84 4.480 6.648 7.035 675 HZ3 TRP 84 HZ3 TRP 84 5.147 10.463 5.170 676 HH2 TRP 84 HH2 TRP 84 5.984 8.541 6.413 677 HB2 TRP 84 1HB TRP 84 -0.768 8.674 3.741 678 HB3 TRP 84 2HB TRP 84 0.560 9.759 3.475 679 H GLU 85 H GLU 85 -3.104 10.456 3.798 680 HA GLU 85 HA GLU 85 -4.691 9.310 6.166 681 HB2 GLU 85 1HB GLU 85 -4.987 11.773 5.531 682 HB3 GLU 85 2HB GLU 85 -5.485 11.304 3.940 683 HG2 GLU 85 1HG GLU 85 -7.416 11.888 5.229 684 HG3 GLU 85 2HG GLU 85 -7.526 10.203 4.798 685 H GLY 86 H GLY 86 -4.996 7.234 5.668 686 HA2 GLY 86 1HA GLY 86 -5.278 6.229 2.838 687 HA3 GLY 86 2HA GLY 86 -5.116 5.251 4.271 688 H ASP 87 H ASP 87 -7.093 5.641 1.920 689 HA ASP 87 HA ASP 87 -8.974 3.972 3.628 690 HB2 ASP 87 1HB ASP 87 -10.324 5.938 2.948 691 HB3 ASP 87 2HB ASP 87 -10.019 5.636 1.250 692 H TYR 88 H TYR 88 -6.996 2.806 3.046 693 HA TYR 88 HA TYR 88 -7.031 1.620 0.245 694 HD1 TYR 88 HD2 TYR 88 -5.237 0.775 3.770 695 HD2 TYR 88 HD1 TYR 88 -2.893 3.356 1.222 696 HE1 TYR 88 HE2 TYR 88 -3.484 0.882 5.469 697 HE2 TYR 88 HE1 TYR 88 -1.151 3.433 2.922 698 HH TYR 88 HH TYR 88 -1.334 1.578 5.959 699 HB2 TYR 88 1HB TYR 88 -4.712 1.457 0.346 700 HB3 TYR 88 2HB TYR 88 -5.258 3.049 0.726 701 H PHE 89 H PHE 89 -5.837 -0.485 0.051 702 HA PHE 89 HA PHE 89 -7.548 -2.498 1.613 703 HD1 PHE 89 HD2 PHE 89 -8.149 -0.127 -1.098 704 HD2 PHE 89 HD1 PHE 89 -9.647 -4.158 -0.742 705 HE1 PHE 89 HE2 PHE 89 -10.409 0.664 -1.602 706 HE2 PHE 89 HE1 PHE 89 -11.900 -3.349 -1.301 707 HZ PHE 89 HZ PHE 89 -12.282 -0.929 -1.735 708 HB2 PHE 89 1HB PHE 89 -6.605 -2.385 -1.315 709 HB3 PHE 89 2HB PHE 89 -7.281 -3.819 -0.596 710 HA PRO 90 HA PRO 90 -3.148 -3.833 2.522 711 HB2 PRO 90 1HB PRO 90 -3.319 -4.348 5.198 712 HB3 PRO 90 2HB PRO 90 -3.400 -2.701 4.523 713 HG2 PRO 90 1HG PRO 90 -5.803 -4.487 5.278 714 HG3 PRO 90 2HG PRO 90 -5.457 -2.846 5.895 715 HD2 PRO 90 1HD PRO 90 -7.122 -3.222 3.708 716 HD3 PRO 90 2HD PRO 90 -6.000 -1.825 3.779 717 H SER 91 H SER 91 -4.140 -5.439 0.987 718 HA SER 91 HA SER 91 -3.941 -8.258 2.233 719 HG SER 91 HG SER 91 -5.196 -7.641 -0.896 720 HB2 SER 91 1HB SER 91 -5.791 -9.022 0.970 721 HB3 SER 91 2HB SER 91 -6.331 -7.517 1.709 722 H GLN 92 H GLN 92 -1.688 -7.668 1.547 723 HA GLN 92 HA GLN 92 -1.080 -8.233 -1.363 724 HB2 GLN 92 1HB GLN 92 1.128 -7.530 -0.939 725 HB3 GLN 92 2HB GLN 92 0.010 -6.376 -0.293 726 HG2 GLN 92 1HG GLN 92 0.923 -6.443 1.771 727 HG3 GLN 92 2HG GLN 92 0.709 -8.160 1.942 728 HE21 GLN 92 1HE2 GLN 92 2.399 -9.509 0.786 729 HE22 GLN 92 2HE2 GLN 92 4.127 -8.865 0.978 730 H ASP 93 H ASP 93 -2.158 -10.301 -0.895 731 HA ASP 93 HA ASP 93 -0.138 -12.511 -0.252 732 HB2 ASP 93 1HB ASP 93 -1.976 -13.790 0.688 733 HB3 ASP 93 2HB ASP 93 -1.868 -12.218 1.431 734 H GLU 94 H GLU 94 -0.100 -11.680 -2.813 735 HA GLU 94 HA GLU 94 -1.749 -13.681 -4.416 736 HB2 GLU 94 1HB GLU 94 -2.031 -11.190 -4.728 737 HB3 GLU 94 2HB GLU 94 -0.420 -11.119 -5.451 738 HG2 GLU 94 1HG GLU 94 -1.188 -12.806 -7.224 739 HG3 GLU 94 2HG GLU 94 -2.775 -12.868 -6.477 740 H GLN 95 H GLN 95 -0.242 -15.245 -3.752 741 HA GLN 95 HA GLN 95 1.971 -15.726 -5.817 742 HB2 GLN 95 1HB GLN 95 2.552 -16.345 -3.464 743 HB3 GLN 95 2HB GLN 95 1.243 -17.512 -3.410 744 HG2 GLN 95 1HG GLN 95 3.603 -17.553 -5.430 745 HG3 GLN 95 2HG GLN 95 3.633 -18.364 -3.891 746 HE21 GLN 95 1HE2 GLN 95 1.733 -19.959 -3.575 747 HE22 GLN 95 2HE2 GLN 95 1.424 -21.021 -5.042 748 H LEU 96 H LEU 96 0.468 -15.671 -7.385 749 HA LEU 96 HA LEU 96 -1.845 -17.199 -7.830 750 HG LEU 96 HG LEU 96 -2.853 -16.876 -10.092 751 HB2 LEU 96 1HB LEU 96 -0.922 -15.391 -9.232 752 HB3 LEU 96 2HB LEU 96 0.221 -16.483 -9.996 753 HD11 LEU 96 1HD1 LEU 96 -2.805 -15.730 -12.289 754 HD12 LEU 96 2HD1 LEU 96 -2.198 -14.638 -11.034 755 HD13 LEU 96 3HD1 LEU 96 -1.055 -15.430 -12.149 756 HD21 LEU 96 3HD2 LEU 96 -2.304 -18.146 -12.241 757 HD22 LEU 96 1HD2 LEU 96 -0.573 -18.015 -11.868 758 HD23 LEU 96 2HD2 LEU 96 -1.653 -18.955 -10.820 759 H ALA 97 H ALA 97 -1.692 -19.166 -6.893 760 HA ALA 97 HA ALA 97 0.100 -21.245 -7.277 761 HB1 ALA 97 3HB ALA 97 -2.927 -21.532 -6.738 762 HB2 ALA 97 1HB ALA 97 -1.701 -22.763 -6.389 763 HB3 ALA 97 2HB ALA 97 -1.655 -21.211 -5.535 764 H LYS 98 H LYS 98 0.508 -22.850 -8.729 765 HA LYS 98 HA LYS 98 -0.687 -22.421 -11.491 766 HB2 LYS 98 1HB LYS 98 1.267 -23.528 -12.390 767 HB3 LYS 98 2HB LYS 98 1.595 -22.081 -11.500 768 HG2 LYS 98 1HG LYS 98 1.922 -24.505 -9.740 769 HG3 LYS 98 2HG LYS 98 2.750 -24.706 -11.248 770 HD2 LYS 98 1HD LYS 98 4.379 -23.833 -9.894 771 HD3 LYS 98 2HD LYS 98 3.977 -22.478 -10.908 772 HE2 LYS 98 1HE LYS 98 2.828 -22.869 -8.036 773 HE3 LYS 98 2HE LYS 98 4.406 -22.168 -8.329 774 HZ1 LYS 98 3HZ LYS 98 2.699 -20.376 -8.115 775 HZ2 LYS 98 1HZ LYS 98 3.355 -20.332 -9.622 776 HZ3 LYS 98 2HZ LYS 98 1.852 -20.925 -9.402 777 H ALA 99 H ALA 99 -2.486 -23.398 -10.364 778 HA ALA 99 HA ALA 99 -3.220 -25.857 -11.801 779 HB1 ALA 99 3HB ALA 99 -3.032 -26.202 -8.720 780 HB2 ALA 99 1HB ALA 99 -3.805 -27.342 -9.849 781 HB3 ALA 99 2HB ALA 99 -2.060 -27.043 -9.942 782 H ALA 100 H ALA 100 -4.377 -24.410 -8.715 783 HA ALA 100 HA ALA 100 -6.901 -23.397 -10.129 784 HB1 ALA 100 3HB ALA 100 -7.772 -23.004 -7.818 785 HB2 ALA 100 1HB ALA 100 -7.329 -24.703 -8.078 786 HB3 ALA 100 2HB ALA 100 -6.267 -23.641 -7.120 787 HA PRO 101 HA PRO 101 -3.913 -19.893 -10.123 788 HB2 PRO 101 1HB PRO 101 -4.985 -18.232 -12.059 789 HB3 PRO 101 2HB PRO 101 -4.226 -19.808 -12.381 790 HG2 PRO 101 1HG PRO 101 -7.240 -19.252 -12.031 791 HG3 PRO 101 2HG PRO 101 -6.451 -20.075 -13.406 792 HD2 PRO 101 1HD PRO 101 -7.540 -21.533 -11.340 793 HD3 PRO 101 2HD PRO 101 -5.985 -22.058 -12.066 794 H LYS 102 H LYS 102 -4.009 -19.005 -8.141 795 HA LYS 102 HA LYS 102 -6.124 -17.149 -7.242 796 HB2 LYS 102 1HB LYS 102 -4.668 -18.615 -5.754 797 HB3 LYS 102 2HB LYS 102 -3.336 -17.478 -6.004 798 HG2 LYS 102 1HG LYS 102 -5.060 -15.620 -5.180 799 HG3 LYS 102 2HG LYS 102 -6.073 -16.971 -4.667 800 HD2 LYS 102 1HD LYS 102 -4.139 -17.779 -3.172 801 HD3 LYS 102 2HD LYS 102 -3.170 -16.414 -3.750 802 HE2 LYS 102 1HE LYS 102 -5.083 -14.831 -2.915 803 HE3 LYS 102 2HE LYS 102 -5.848 -16.233 -2.167 804 HZ1 LYS 102 3HZ LYS 102 -4.243 -14.827 -0.683 805 HZ2 LYS 102 1HZ LYS 102 -3.805 -16.461 -0.714 806 HZ3 LYS 102 2HZ LYS 102 -3.020 -15.286 -1.607 807 H GLN 103 H GLN 103 -6.272 -15.594 -8.856 808 HA GLN 103 HA GLN 103 -4.259 -13.308 -8.637 809 HB2 GLN 103 1HB GLN 103 -5.097 -12.259 -10.513 810 HB3 GLN 103 2HB GLN 103 -4.380 -13.795 -10.908 811 HG2 GLN 103 1HG GLN 103 -6.500 -14.769 -11.567 812 HG3 GLN 103 2HG GLN 103 -7.445 -13.512 -10.785 813 HE21 GLN 103 1HE2 GLN 103 -8.349 -12.300 -12.325 814 HE22 GLN 103 2HE2 GLN 103 -7.444 -11.549 -13.730 815 H PHE 104 H PHE 104 -4.871 -11.966 -7.186 816 HA PHE 104 HA PHE 104 -7.776 -11.854 -6.184 817 HD1 PHE 104 HD1 PHE 104 -7.458 -14.701 -6.417 818 HD2 PHE 104 HD2 PHE 104 -7.758 -13.232 -2.372 819 HE1 PHE 104 HE1 PHE 104 -9.096 -16.438 -5.900 820 HE2 PHE 104 HE2 PHE 104 -9.396 -14.985 -1.872 821 HZ PHE 104 HZ PHE 104 -10.072 -16.598 -3.627 822 HB2 PHE 104 1HB PHE 104 -5.442 -13.199 -4.810 823 HB3 PHE 104 2HB PHE 104 -6.309 -12.112 -3.803 824 H GLY 105 H GLY 105 -6.956 -9.879 -7.534 825 HA2 GLY 105 1HA GLY 105 -6.220 -7.561 -5.666 826 HA3 GLY 105 2HA GLY 105 -6.548 -7.435 -7.369 827 H ARG 106 H ARG 106 -7.961 -7.703 -4.258 828 HA ARG 106 HA ARG 106 -10.722 -8.214 -5.169 829 HE ARG 106 HE ARG 106 -7.356 -9.816 -3.026 830 HB2 ARG 106 1HB ARG 106 -9.421 -7.777 -2.411 831 HB3 ARG 106 2HB ARG 106 -11.130 -8.074 -2.568 832 HG2 ARG 106 1HG ARG 106 -10.965 -10.272 -3.168 833 HG3 ARG 106 2HG ARG 106 -9.486 -10.125 -4.075 834 HD2 ARG 106 1HD ARG 106 -9.512 -9.903 -0.979 835 HD3 ARG 106 2HD ARG 106 -9.434 -11.457 -1.839 836 HH11 ARG 106 2HH2 ARG 106 -7.904 -11.399 0.081 837 HH12 ARG 106 1HH2 ARG 106 -6.065 -11.578 0.237 838 HH21 ARG 106 2HH1 ARG 106 -5.377 -10.023 -2.659 839 HH22 ARG 106 1HH1 ARG 106 -4.822 -10.786 -1.046 840 H ASN 107 H ASN 107 -11.125 -6.352 -6.396 841 HA ASN 107 HA ASN 107 -11.461 -3.709 -5.139 842 HB2 ASN 107 1HB ASN 107 -12.353 -2.925 -7.315 843 HB3 ASN 107 2HB ASN 107 -10.741 -3.554 -7.245 844 HD21 ASN 107 1HD2 ASN 107 -13.918 -5.055 -7.893 845 HD22 ASN 107 2HD2 ASN 107 -13.328 -5.796 -9.479 846 H LEU 108 H LEU 108 -12.811 -3.903 -3.472 847 HA LEU 108 HA LEU 108 -15.806 -4.109 -4.062 848 HG LEU 108 HG LEU 108 -17.177 -5.339 -2.386 849 HB2 LEU 108 1HB LEU 108 -14.670 -5.820 -2.555 850 HB3 LEU 108 2HB LEU 108 -14.347 -4.561 -1.376 851 HD11 LEU 108 1HD1 LEU 108 -17.360 -6.668 -0.269 852 HD12 LEU 108 2HD1 LEU 108 -16.043 -7.284 -1.278 853 HD13 LEU 108 3HD1 LEU 108 -15.673 -6.289 0.151 854 HD21 LEU 108 3HD2 LEU 108 -16.300 -3.700 0.102 855 HD22 LEU 108 1HD2 LEU 108 -17.220 -3.082 -1.282 856 HD23 LEU 108 2HD2 LEU 108 -17.952 -4.274 -0.214 857 H ALA 109 H ALA 109 -16.302 -2.037 -4.504 858 HA ALA 109 HA ALA 109 -15.182 0.311 -3.716 859 HB1 ALA 109 3HB ALA 109 -18.161 -0.156 -4.411 860 HB2 ALA 109 1HB ALA 109 -17.300 1.388 -4.562 861 HB3 ALA 109 2HB ALA 109 -16.814 0.017 -5.569 862 H ARG 110 H ARG 110 -15.559 1.908 -2.495 863 HA ARG 110 HA ARG 110 -17.020 1.616 0.210 864 HE ARG 110 HE ARG 110 -12.563 -1.044 1.412 865 HB2 ARG 110 1HB ARG 110 -14.178 2.777 -0.235 866 HB3 ARG 110 2HB ARG 110 -15.046 2.775 1.289 867 HG2 ARG 110 1HG ARG 110 -15.001 0.222 1.324 868 HG3 ARG 110 2HG ARG 110 -14.067 0.244 -0.183 869 HD2 ARG 110 1HD ARG 110 -12.366 1.814 0.977 870 HD3 ARG 110 2HD ARG 110 -13.254 1.599 2.492 871 HH11 ARG 110 2HH2 ARG 110 -10.948 1.767 2.865 872 HH12 ARG 110 1HH2 ARG 110 -9.445 0.730 3.133 873 HH21 ARG 110 2HH1 ARG 110 -10.800 -2.084 1.809 874 HH22 ARG 110 1HH1 ARG 110 -9.389 -1.228 2.608 875 H ASP 111 H ASP 111 -17.651 3.425 1.167 876 HA ASP 111 HA ASP 111 -16.711 6.112 0.185 877 HB2 ASP 111 1HB ASP 111 -19.308 5.924 0.242 878 HB3 ASP 111 2HB ASP 111 -19.171 5.865 2.006 879 H LYS 112 H LYS 112 -16.516 7.453 2.152 880 HA LYS 112 HA LYS 112 -15.615 6.572 4.653 881 HB2 LYS 112 1HB LYS 112 -13.876 5.243 3.436 882 HB3 LYS 112 2HB LYS 112 -13.151 6.673 2.779 883 HG2 LYS 112 1HG LYS 112 -13.393 6.299 5.853 884 HG3 LYS 112 2HG LYS 112 -12.236 5.371 4.909 885 HD2 LYS 112 1HD LYS 112 -11.324 7.578 3.939 886 HD3 LYS 112 2HD LYS 112 -12.294 8.458 5.089 887 HE2 LYS 112 1HE LYS 112 -11.075 7.724 6.997 888 HE3 LYS 112 2HE LYS 112 -10.505 6.237 6.233 889 HZ1 LYS 112 3HZ LYS 112 -8.714 7.276 5.330 890 HZ2 LYS 112 1HZ LYS 112 -9.554 8.577 4.778 891 HZ3 LYS 112 2HZ LYS 112 -8.947 8.598 6.319 892 H LYS 113 H LYS 113 -16.762 8.498 4.890 893 HA LYS 113 HA LYS 113 -15.891 10.971 3.601 894 HB2 LYS 113 1HB LYS 113 -18.315 9.994 4.410 895 HB3 LYS 113 2HB LYS 113 -17.995 10.972 5.818 896 HG2 LYS 113 1HG LYS 113 -19.177 12.473 4.451 897 HG3 LYS 113 2HG LYS 113 -17.531 12.960 4.127 898 HD2 LYS 113 1HD LYS 113 -18.431 12.857 1.958 899 HD3 LYS 113 2HD LYS 113 -17.593 11.310 2.058 900 HE2 LYS 113 1HE LYS 113 -19.872 10.230 2.763 901 HE3 LYS 113 2HE LYS 113 -20.635 11.797 2.456 902 HZ1 LYS 113 3HZ LYS 113 -20.782 10.738 0.323 903 HZ2 LYS 113 1HZ LYS 113 -19.291 11.425 0.104 904 HZ3 LYS 113 2HZ LYS 113 -19.433 9.823 0.529 905 H LYS 114 H LYS 114 -13.810 10.580 4.704 906 HA LYS 114 HA LYS 114 -13.166 12.976 6.394 907 HB2 LYS 114 1HB LYS 114 -13.959 11.365 8.121 908 HB3 LYS 114 2HB LYS 114 -12.810 10.151 7.622 909 HG2 LYS 114 1HG LYS 114 -11.909 12.935 8.659 910 HG3 LYS 114 2HG LYS 114 -12.433 11.658 9.744 911 HD2 LYS 114 1HD LYS 114 -10.673 10.091 8.695 912 HD3 LYS 114 2HD LYS 114 -10.042 11.467 7.796 913 HE2 LYS 114 1HE LYS 114 -9.548 12.706 9.933 914 HE3 LYS 114 2HE LYS 114 -10.251 11.390 10.889 915 HZ1 LYS 114 3HZ LYS 114 -7.773 11.046 10.653 916 HZ2 LYS 114 1HZ LYS 114 -8.549 9.849 9.816 917 HZ3 LYS 114 2HZ LYS 114 -7.873 11.065 8.992 918 H GLN 115 H GLN 115 -11.939 13.459 4.569 919 HA GLN 115 HA GLN 115 -9.455 11.830 4.074 920 HB2 GLN 115 1HB GLN 115 -11.516 10.989 2.679 921 HB3 GLN 115 2HB GLN 115 -11.328 12.440 1.721 922 HG2 GLN 115 1HG GLN 115 -10.181 10.757 0.542 923 HG3 GLN 115 2HG GLN 115 -8.900 11.731 1.233 924 HE21 GLN 115 1HE2 GLN 115 -7.791 9.703 0.615 925 HE22 GLN 115 2HE2 GLN 115 -7.703 8.393 1.889 926 H ARG 116 H ARG 116 -11.020 14.573 2.463 927 HA ARG 116 HA ARG 116 -8.480 16.206 2.875 928 HE ARG 116 HE ARG 116 -8.483 16.236 -2.092 929 HB2 ARG 116 1HB ARG 116 -8.332 14.720 0.767 930 HB3 ARG 116 2HB ARG 116 -9.587 15.650 0.046 931 HG2 ARG 116 1HG ARG 116 -7.159 17.166 1.176 932 HG3 ARG 116 2HG ARG 116 -6.868 16.118 -0.187 933 HD2 ARG 116 1HD ARG 116 -8.928 18.417 -0.127 934 HD3 ARG 116 2HD ARG 116 -7.292 18.540 -0.784 935 HH11 ARG 116 2HH2 ARG 116 -9.374 19.668 -1.969 936 HH12 ARG 116 1HH2 ARG 116 -10.640 19.341 -3.273 937 HH21 ARG 116 2HH1 ARG 116 -9.737 15.990 -3.428 938 HH22 ARG 116 1HH1 ARG 116 -10.838 17.309 -4.101 939 H GLY 117 H GLY 117 -9.823 17.519 4.171 940 HA2 GLY 117 1HA GLY 117 -11.661 19.472 2.793 941 HA3 GLY 117 2HA GLY 117 -11.125 19.552 4.456 942 H ARG 118 H ARG 118 -9.934 19.934 1.185 943 HA ARG 118 HA ARG 118 -8.378 22.413 1.808 944 HE ARG 118 HE ARG 118 -3.381 22.803 0.991 945 HB2 ARG 118 1HB ARG 118 -6.951 20.407 2.656 946 HB3 ARG 118 2HB ARG 118 -6.775 19.884 1.001 947 HG2 ARG 118 1HG ARG 118 -5.836 22.587 2.181 948 HG3 ARG 118 2HG ARG 118 -4.860 21.129 2.022 949 HD2 ARG 118 1HD ARG 118 -5.330 21.240 -0.556 950 HD3 ARG 118 2HD ARG 118 -6.010 22.855 -0.262 951 HH11 ARG 118 2HH2 ARG 118 -4.777 22.820 -2.209 952 HH12 ARG 118 1HH2 ARG 118 -3.192 23.442 -2.931 953 HH21 ARG 118 2HH1 ARG 118 -1.636 23.576 0.087 954 HH22 ARG 118 1HH1 ARG 118 -1.612 23.862 -1.719 Start of MODEL 18 1 HA MET 1 HA MET 1 16.390 4.059 18.326 2 H1 MET 1 1H MET 1 16.278 2.422 20.069 3 H2 MET 1 2H MET 1 17.543 1.533 19.481 4 H3 MET 1 3H MET 1 17.816 3.029 20.116 5 HB2 MET 1 1HB MET 1 18.974 2.608 17.447 6 HB3 MET 1 2HB MET 1 18.102 3.764 16.455 7 HG2 MET 1 1HG MET 1 18.414 5.569 18.203 8 HG3 MET 1 2HG MET 1 19.352 4.438 19.203 9 HE1 MET 1 3HE MET 1 20.464 7.238 18.150 10 HE2 MET 1 1HE MET 1 21.412 6.103 19.159 11 HE3 MET 1 2HE MET 1 22.111 6.763 17.656 12 H ALA 2 H ALA 2 17.504 1.096 16.597 13 HA ALA 2 HA ALA 2 14.901 0.871 15.238 14 HB1 ALA 2 3HB ALA 2 17.316 -1.058 15.351 15 HB2 ALA 2 1HB ALA 2 15.964 -1.164 14.213 16 HB3 ALA 2 2HB ALA 2 17.040 0.239 14.158 17 H GLY 3 H GLY 3 13.178 0.181 16.212 18 HA2 GLY 3 1HA GLY 3 11.892 -1.806 17.354 19 HA3 GLY 3 2HA GLY 3 13.247 -1.945 18.452 20 H SER 4 H SER 4 13.837 0.452 19.254 21 HA SER 4 HA SER 4 11.581 1.214 21.077 22 HG SER 4 HG SER 4 14.101 3.298 20.125 23 HB2 SER 4 1HB SER 4 13.227 2.563 22.233 24 HB3 SER 4 2HB SER 4 14.003 1.031 21.829 25 H GLY 5 H GLY 5 10.055 2.152 19.693 26 HA2 GLY 5 1HA GLY 5 8.940 4.317 19.151 27 HA3 GLY 5 2HA GLY 5 10.495 5.107 18.982 28 H ILE 6 H ILE 6 11.851 4.097 17.174 29 HA ILE 6 HA ILE 6 10.207 3.839 14.648 30 HB ILE 6 HB ILE 6 11.943 5.421 14.489 31 HG12 ILE 6 1HG1 ILE 6 13.117 4.621 12.402 32 HG13 ILE 6 2HG1 ILE 6 12.485 3.001 12.648 33 HG21 ILE 6 1HG2 ILE 6 14.335 4.951 14.470 34 HG22 ILE 6 2HG2 ILE 6 13.641 4.411 16.014 35 HG23 ILE 6 3HG2 ILE 6 14.081 3.213 14.780 36 HD11 ILE 6 3HD1 ILE 6 11.168 4.383 10.989 37 HD12 ILE 6 1HD1 ILE 6 10.125 3.867 12.323 38 HD13 ILE 6 2HD1 ILE 6 10.735 5.540 12.257 39 H ILE 7 H ILE 7 9.246 1.947 15.192 40 HA ILE 7 HA ILE 7 10.710 -0.492 15.817 41 HB ILE 7 HB ILE 7 8.549 0.144 16.693 42 HG12 ILE 7 1HG1 ILE 7 9.392 -1.996 17.180 43 HG13 ILE 7 2HG1 ILE 7 7.655 -2.016 17.047 44 HG21 ILE 7 1HG2 ILE 7 6.411 -0.373 15.653 45 HG22 ILE 7 2HG2 ILE 7 7.257 0.800 14.633 46 HG23 ILE 7 3HG2 ILE 7 7.173 -0.896 14.142 47 HD11 ILE 7 3HD1 ILE 7 7.848 -3.157 14.759 48 HD12 ILE 7 1HD1 ILE 7 9.613 -3.210 14.967 49 HD13 ILE 7 2HD1 ILE 7 8.560 -4.080 16.095 50 H TYR 8 H TYR 8 12.120 -0.440 14.126 51 HA TYR 8 HA TYR 8 11.743 -0.497 11.456 52 HD1 TYR 8 HD1 TYR 8 13.686 0.837 10.310 53 HD2 TYR 8 HD2 TYR 8 15.279 -3.076 11.164 54 HE1 TYR 8 HE1 TYR 8 14.886 0.854 8.171 55 HE2 TYR 8 HE2 TYR 8 16.501 -3.033 9.033 56 HH TYR 8 HH TYR 8 16.338 -0.222 6.864 57 HB2 TYR 8 1HB TYR 8 13.873 -0.190 12.760 58 HB3 TYR 8 2HB TYR 8 14.047 -1.930 12.903 59 H LYS 9 H LYS 9 11.110 -1.718 9.893 60 HA LYS 9 HA LYS 9 11.199 -4.739 9.937 61 HB2 LYS 9 1HB LYS 9 8.880 -5.170 9.745 62 HB3 LYS 9 2HB LYS 9 9.105 -4.144 11.140 63 HG2 LYS 9 1HG LYS 9 8.465 -2.154 9.365 64 HG3 LYS 9 2HG LYS 9 7.864 -3.481 8.417 65 HD2 LYS 9 1HD LYS 9 5.997 -2.738 9.499 66 HD3 LYS 9 2HD LYS 9 6.364 -4.162 10.446 67 HE2 LYS 9 1HE LYS 9 7.103 -2.890 12.372 68 HE3 LYS 9 2HE LYS 9 7.538 -1.489 11.419 69 HZ1 LYS 9 3HZ LYS 9 5.113 -1.164 10.875 70 HZ2 LYS 9 1HZ LYS 9 4.670 -2.310 11.950 71 HZ3 LYS 9 2HZ LYS 9 5.376 -0.855 12.392 72 H GLN 10 H GLN 10 12.134 -5.189 8.006 73 HA GLN 10 HA GLN 10 12.213 -3.119 5.872 74 HB2 GLN 10 1HB GLN 10 13.507 -5.903 5.980 75 HB3 GLN 10 2HB GLN 10 13.737 -4.735 4.684 76 HG2 GLN 10 1HG GLN 10 14.623 -3.036 6.355 77 HG3 GLN 10 2HG GLN 10 14.501 -4.238 7.633 78 HE21 GLN 10 1HE2 GLN 10 16.861 -2.875 6.509 79 HE22 GLN 10 2HE2 GLN 10 17.958 -4.283 6.037 80 HA PRO 11 HA PRO 11 8.841 -5.421 3.662 81 HB2 PRO 11 1HB PRO 11 7.671 -3.381 2.260 82 HB3 PRO 11 2HB PRO 11 7.696 -3.373 4.038 83 HG2 PRO 11 1HG PRO 11 9.694 -1.930 2.175 84 HG3 PRO 11 2HG PRO 11 8.716 -1.193 3.473 85 HD2 PRO 11 1HD PRO 11 11.336 -2.075 3.898 86 HD3 PRO 11 2HD PRO 11 10.094 -2.143 5.184 87 H ILE 12 H ILE 12 10.967 -6.366 2.772 88 HA ILE 12 HA ILE 12 11.424 -5.784 -0.149 89 HB ILE 12 HB ILE 12 13.280 -6.107 1.315 90 HG12 ILE 12 1HG1 ILE 12 13.392 -8.349 -0.792 91 HG13 ILE 12 2HG1 ILE 12 13.224 -6.669 -1.266 92 HG21 ILE 12 1HG2 ILE 12 12.615 -9.129 1.514 93 HG22 ILE 12 2HG2 ILE 12 14.075 -8.323 2.121 94 HG23 ILE 12 3HG2 ILE 12 12.505 -7.960 2.845 95 HD11 ILE 12 3HD1 ILE 12 15.585 -7.734 0.413 96 HD12 ILE 12 1HD1 ILE 12 15.606 -7.273 -1.301 97 HD13 ILE 12 2HD1 ILE 12 15.322 -6.034 -0.057 98 H TYR 13 H TYR 13 9.132 -6.221 -0.367 99 HA TYR 13 HA TYR 13 8.435 -8.792 -1.724 100 HD1 TYR 13 HD1 TYR 13 6.381 -10.234 -1.892 101 HD2 TYR 13 HD2 TYR 13 6.105 -9.679 2.381 102 HE1 TYR 13 HE1 TYR 13 4.399 -11.679 -1.814 103 HE2 TYR 13 HE2 TYR 13 4.136 -11.137 2.427 104 HH TYR 13 HH TYR 13 2.556 -12.379 -0.510 105 HB2 TYR 13 1HB TYR 13 8.454 -9.537 0.632 106 HB3 TYR 13 2HB TYR 13 7.502 -8.171 1.142 107 H GLN 14 H GLN 14 7.021 -8.182 -3.248 108 HA GLN 14 HA GLN 14 5.741 -5.635 -3.466 109 HB2 GLN 14 1HB GLN 14 4.639 -6.409 -5.394 110 HB3 GLN 14 2HB GLN 14 6.277 -7.018 -5.367 111 HG2 GLN 14 1HG GLN 14 3.730 -8.650 -4.744 112 HG3 GLN 14 2HG GLN 14 4.535 -8.567 -6.292 113 HE21 GLN 14 1HE2 GLN 14 4.044 -10.974 -5.186 114 HE22 GLN 14 2HE2 GLN 14 5.660 -11.709 -4.703 115 H GLY 15 H GLY 15 4.285 -8.567 -2.178 116 HA2 GLY 15 1HA GLY 15 1.733 -7.150 -1.302 117 HA3 GLY 15 2HA GLY 15 2.157 -8.804 -0.930 118 H ASN 16 H ASN 16 3.789 -5.741 -0.417 119 HA ASN 16 HA ASN 16 3.393 -5.673 2.483 120 HB2 ASN 16 1HB ASN 16 5.451 -7.403 1.813 121 HB3 ASN 16 2HB ASN 16 6.388 -5.955 1.962 122 HD21 ASN 16 1HD2 ASN 16 6.667 -5.177 4.131 123 HD22 ASN 16 2HD2 ASN 16 6.055 -6.160 5.563 124 H LEU 17 H LEU 17 5.217 -4.194 -0.172 125 HA LEU 17 HA LEU 17 6.116 -1.827 1.082 126 HG LEU 17 HG LEU 17 6.984 -3.581 -1.329 127 HB2 LEU 17 1HB LEU 17 4.929 -2.050 -1.753 128 HB3 LEU 17 2HB LEU 17 5.885 -0.694 -1.197 129 HD11 LEU 17 1HD1 LEU 17 8.104 -2.810 -3.432 130 HD12 LEU 17 2HD1 LEU 17 6.341 -2.741 -3.600 131 HD13 LEU 17 3HD1 LEU 17 7.265 -1.245 -3.340 132 HD21 LEU 17 3HD2 LEU 17 9.213 -2.442 -1.195 133 HD22 LEU 17 1HD2 LEU 17 8.432 -0.858 -0.992 134 HD23 LEU 17 2HD2 LEU 17 8.270 -2.107 0.258 135 H ILE 18 H ILE 18 2.932 -1.818 -0.621 136 HA ILE 18 HA ILE 18 1.923 0.417 1.182 137 HB ILE 18 HB ILE 18 0.797 -1.086 -1.221 138 HG12 ILE 18 1HG1 ILE 18 2.226 1.030 -1.423 139 HG13 ILE 18 2HG1 ILE 18 0.743 0.930 -2.317 140 HG21 ILE 18 1HG2 ILE 18 -1.188 -1.200 0.112 141 HG22 ILE 18 2HG2 ILE 18 -0.955 0.423 0.782 142 HG23 ILE 18 3HG2 ILE 18 -1.407 0.212 -0.920 143 HD11 ILE 18 3HD1 ILE 18 1.149 3.205 -1.311 144 HD12 ILE 18 1HD1 ILE 18 -0.408 2.524 -0.832 145 HD13 ILE 18 2HD1 ILE 18 0.936 2.541 0.330 146 H LYS 19 H LYS 19 1.755 -0.280 3.189 147 HA LYS 19 HA LYS 19 -0.358 -2.181 3.892 148 HB2 LYS 19 1HB LYS 19 2.519 -2.919 4.707 149 HB3 LYS 19 2HB LYS 19 1.134 -3.341 5.723 150 HG2 LYS 19 1HG LYS 19 0.077 -4.408 3.567 151 HG3 LYS 19 2HG LYS 19 1.676 -4.270 2.864 152 HD2 LYS 19 1HD LYS 19 2.663 -5.661 4.692 153 HD3 LYS 19 2HD LYS 19 1.133 -5.712 5.567 154 HE2 LYS 19 1HE LYS 19 0.008 -7.067 3.892 155 HE3 LYS 19 2HE LYS 19 1.217 -6.739 2.665 156 HZ1 LYS 19 3HZ LYS 19 2.909 -7.916 4.187 157 HZ2 LYS 19 1HZ LYS 19 1.648 -8.487 5.090 158 HZ3 LYS 19 2HZ LYS 19 1.807 -8.888 3.486 159 H GLN 20 H GLN 20 -1.263 -1.706 5.764 160 HA GLN 20 HA GLN 20 -0.560 0.716 7.284 161 HB2 GLN 20 1HB GLN 20 -2.916 -0.636 6.864 162 HB3 GLN 20 2HB GLN 20 -2.486 -1.411 8.361 163 HG2 GLN 20 1HG GLN 20 -3.753 0.359 9.154 164 HG3 GLN 20 2HG GLN 20 -2.178 1.105 9.298 165 HE21 GLN 20 1HE2 GLN 20 -5.239 1.523 8.052 166 HE22 GLN 20 2HE2 GLN 20 -4.844 2.723 6.723 167 H ASN 21 H ASN 21 1.595 -0.417 7.420 168 HA ASN 21 HA ASN 21 2.487 -0.824 10.180 169 HB2 ASN 21 1HB ASN 21 1.495 -3.301 8.944 170 HB3 ASN 21 2HB ASN 21 3.223 -3.446 8.971 171 HD21 ASN 21 1HD2 ASN 21 0.486 -2.649 11.049 172 HD22 ASN 21 2HD2 ASN 21 1.306 -3.278 12.567 173 H ALA 22 H ALA 22 3.440 -1.800 6.839 174 HA ALA 22 HA ALA 22 6.247 -0.789 7.148 175 HB1 ALA 22 3HB ALA 22 5.657 -2.573 5.475 176 HB2 ALA 22 1HB ALA 22 4.621 -1.430 4.588 177 HB3 ALA 22 2HB ALA 22 6.368 -1.159 4.681 178 H VAL 23 H VAL 23 3.252 0.625 5.706 179 HA VAL 23 HA VAL 23 4.493 3.237 5.139 180 HB VAL 23 HB VAL 23 1.533 2.504 5.465 181 HG11 VAL 23 1HG1 VAL 23 1.151 4.615 4.051 182 HG12 VAL 23 2HG1 VAL 23 1.714 4.948 5.712 183 HG13 VAL 23 3HG1 VAL 23 2.841 5.083 4.344 184 HG21 VAL 23 3HG2 VAL 23 1.465 2.405 3.008 185 HG22 VAL 23 1HG2 VAL 23 3.135 2.987 2.875 186 HG23 VAL 23 2HG2 VAL 23 2.802 1.360 3.497 187 H GLU 24 H GLU 24 2.828 2.019 8.022 188 HA GLU 24 HA GLU 24 3.176 4.374 9.728 189 HB2 GLU 24 1HB GLU 24 1.698 2.720 10.421 190 HB3 GLU 24 2HB GLU 24 2.738 1.384 10.083 191 HG2 GLU 24 1HG GLU 24 3.711 3.143 12.376 192 HG3 GLU 24 2HG GLU 24 2.185 2.307 12.605 193 H GLN 25 H GLN 25 5.396 1.643 9.130 194 HA GLN 25 HA GLN 25 7.533 2.768 10.803 195 HB2 GLN 25 1HB GLN 25 7.220 0.352 10.162 196 HB3 GLN 25 2HB GLN 25 7.855 0.668 8.562 197 HG2 GLN 25 1HG GLN 25 9.485 1.398 11.109 198 HG3 GLN 25 2HG GLN 25 9.317 -0.253 10.616 199 HE21 GLN 25 1HE2 GLN 25 10.531 2.824 9.296 200 HE22 GLN 25 2HE2 GLN 25 11.841 1.940 8.354 201 H LEU 26 H LEU 26 7.053 3.064 7.260 202 HA LEU 26 HA LEU 26 9.641 3.905 6.607 203 HG LEU 26 HG LEU 26 6.068 4.670 5.587 204 HB2 LEU 26 1HB LEU 26 8.952 4.752 4.516 205 HB3 LEU 26 2HB LEU 26 8.161 3.266 4.966 206 HD11 LEU 26 1HD1 LEU 26 7.418 6.794 3.798 207 HD12 LEU 26 2HD1 LEU 26 5.730 6.782 4.355 208 HD13 LEU 26 3HD1 LEU 26 7.024 7.011 5.514 209 HD21 LEU 26 3HD2 LEU 26 7.059 4.502 2.655 210 HD22 LEU 26 1HD2 LEU 26 6.230 3.199 3.556 211 HD23 LEU 26 2HD2 LEU 26 5.357 4.681 3.152 212 H GLN 27 H GLN 27 7.454 6.079 8.110 213 HA GLN 27 HA GLN 27 7.671 8.381 8.747 214 HB2 GLN 27 1HB GLN 27 8.856 6.640 10.266 215 HB3 GLN 27 2HB GLN 27 10.371 7.248 9.638 216 HG2 GLN 27 1HG GLN 27 9.978 8.337 11.745 217 HG3 GLN 27 2HG GLN 27 9.779 9.573 10.531 218 HE21 GLN 27 1HE2 GLN 27 7.970 7.441 12.711 219 HE22 GLN 27 2HE2 GLN 27 6.489 8.533 12.704 220 H VAL 28 H VAL 28 8.073 8.615 6.179 221 HA VAL 28 HA VAL 28 10.596 10.113 5.591 222 HB VAL 28 HB VAL 28 8.185 9.416 3.793 223 HG11 VAL 28 1HG1 VAL 28 9.319 11.417 2.801 224 HG12 VAL 28 2HG1 VAL 28 10.918 10.655 2.995 225 HG13 VAL 28 3HG1 VAL 28 9.726 9.986 1.852 226 HG21 VAL 28 3HG2 VAL 28 9.785 7.766 2.751 227 HG22 VAL 28 1HG2 VAL 28 11.044 8.198 3.937 228 HG23 VAL 28 2HG2 VAL 28 9.554 7.391 4.459 229 H GLY 29 H GLY 29 10.844 12.181 5.732 230 HA2 GLY 29 1HA GLY 29 8.586 14.127 5.010 231 HA3 GLY 29 2HA GLY 29 9.547 14.486 6.431 232 H GLN 30 H GLN 30 10.143 13.396 3.130 233 HA GLN 30 HA GLN 30 12.467 15.378 2.843 234 HB2 GLN 30 1HB GLN 30 13.063 13.060 3.640 235 HB3 GLN 30 2HB GLN 30 12.370 12.361 2.180 236 HG2 GLN 30 1HG GLN 30 14.090 13.721 0.797 237 HG3 GLN 30 2HG GLN 30 14.812 14.268 2.297 238 HE21 GLN 30 1HE2 GLN 30 16.120 12.752 3.430 239 HE22 GLN 30 2HE2 GLN 30 16.508 11.112 2.685 240 H SER 31 H SER 31 10.629 13.081 0.741 241 HA SER 31 HA SER 31 10.603 15.155 -1.450 242 HG SER 31 HG SER 31 12.476 13.326 -3.904 243 HB2 SER 31 1HB SER 31 12.890 14.202 -1.650 244 HB3 SER 31 2HB SER 31 12.222 12.574 -1.837 245 H LYS 32 H LYS 32 8.937 14.976 -2.611 246 HA LYS 32 HA LYS 32 6.872 13.030 -2.558 247 HB2 LYS 32 1HB LYS 32 5.936 14.128 -4.563 248 HB3 LYS 32 2HB LYS 32 6.433 15.254 -3.322 249 HG2 LYS 32 1HG LYS 32 8.445 15.940 -4.613 250 HG3 LYS 32 2HG LYS 32 8.174 14.692 -5.826 251 HD2 LYS 32 1HD LYS 32 6.092 15.686 -6.579 252 HD3 LYS 32 2HD LYS 32 6.038 16.847 -5.274 253 HE2 LYS 32 1HE LYS 32 8.399 16.805 -7.307 254 HE3 LYS 32 2HE LYS 32 6.869 17.572 -7.690 255 HZ1 LYS 32 3HZ LYS 32 7.459 18.635 -5.192 256 HZ2 LYS 32 1HZ LYS 32 8.964 18.623 -5.905 257 HZ3 LYS 32 2HZ LYS 32 7.690 19.397 -6.659 258 H GLN 33 H GLN 33 9.509 13.035 -4.850 259 HA GLN 33 HA GLN 33 8.521 10.574 -6.261 260 HB2 GLN 33 1HB GLN 33 10.560 10.595 -7.570 261 HB3 GLN 33 2HB GLN 33 9.645 12.074 -7.648 262 HG2 GLN 33 1HG GLN 33 11.944 12.652 -7.705 263 HG3 GLN 33 2HG GLN 33 11.252 13.289 -6.241 264 HE21 GLN 33 1HE2 GLN 33 12.851 10.184 -7.118 265 HE22 GLN 33 2HE2 GLN 33 13.928 10.249 -5.633 266 H GLN 34 H GLN 34 10.601 11.075 -3.488 267 HA GLN 34 HA GLN 34 11.738 8.308 -3.559 268 HB2 GLN 34 1HB GLN 34 11.546 10.308 -1.219 269 HB3 GLN 34 2HB GLN 34 12.268 8.719 -1.081 270 HG2 GLN 34 1HG GLN 34 13.270 10.917 -2.983 271 HG3 GLN 34 2HG GLN 34 13.896 10.620 -1.394 272 HE21 GLN 34 1HE2 GLN 34 15.192 8.713 -1.086 273 HE22 GLN 34 2HE2 GLN 34 15.890 7.866 -2.568 274 H VAL 35 H VAL 35 8.973 9.760 -1.693 275 HA VAL 35 HA VAL 35 8.317 7.099 -0.553 276 HB VAL 35 HB VAL 35 7.813 9.291 0.582 277 HG11 VAL 35 1HG1 VAL 35 6.685 10.527 -1.350 278 HG12 VAL 35 2HG1 VAL 35 5.305 9.444 -1.220 279 HG13 VAL 35 3HG1 VAL 35 5.724 10.504 0.142 280 HG21 VAL 35 3HG2 VAL 35 6.852 7.125 1.378 281 HG22 VAL 35 1HG2 VAL 35 5.765 8.492 1.693 282 HG23 VAL 35 2HG2 VAL 35 5.419 7.369 0.357 283 H SER 36 H SER 36 7.126 8.800 -3.424 284 HA SER 36 HA SER 36 5.129 6.630 -3.999 285 HG SER 36 HG SER 36 3.907 8.295 -6.732 286 HB2 SER 36 1HB SER 36 5.094 9.194 -4.826 287 HB3 SER 36 2HB SER 36 6.054 8.577 -6.174 288 H ALA 37 H ALA 37 8.480 7.227 -5.129 289 HA ALA 37 HA ALA 37 8.520 4.877 -6.938 290 HB1 ALA 37 3HB ALA 37 11.008 5.183 -6.870 291 HB2 ALA 37 1HB ALA 37 10.201 6.748 -7.093 292 HB3 ALA 37 2HB ALA 37 10.854 6.311 -5.500 293 H LEU 38 H LEU 38 9.390 5.228 -3.478 294 HA LEU 38 HA LEU 38 10.157 2.365 -3.159 295 HG LEU 38 HG LEU 38 11.832 2.552 -1.312 296 HB2 LEU 38 1HB LEU 38 9.569 4.667 -1.205 297 HB3 LEU 38 2HB LEU 38 9.519 3.031 -0.597 298 HD11 LEU 38 1HD1 LEU 38 12.158 4.248 -3.178 299 HD12 LEU 38 2HD1 LEU 38 12.053 5.568 -1.995 300 HD13 LEU 38 3HD1 LEU 38 13.391 4.402 -1.920 301 HD21 LEU 38 3HD2 LEU 38 12.874 3.954 0.503 302 HD22 LEU 38 1HD2 LEU 38 11.469 5.047 0.487 303 HD23 LEU 38 2HD2 LEU 38 11.285 3.353 1.005 304 H LEU 39 H LEU 39 7.061 4.047 -2.555 305 HA LEU 39 HA LEU 39 5.623 1.540 -1.882 306 HG LEU 39 HG LEU 39 5.679 4.151 -0.437 307 HB2 LEU 39 1HB LEU 39 4.718 4.336 -2.812 308 HB3 LEU 39 2HB LEU 39 3.561 3.091 -2.426 309 HD11 LEU 39 1HD1 LEU 39 4.091 5.938 -1.038 310 HD12 LEU 39 2HD1 LEU 39 2.683 4.891 -0.720 311 HD13 LEU 39 3HD1 LEU 39 3.754 5.383 0.612 312 HD21 LEU 39 3HD2 LEU 39 3.180 2.471 0.222 313 HD22 LEU 39 1HD2 LEU 39 4.771 1.751 0.045 314 HD23 LEU 39 2HD2 LEU 39 4.502 2.907 1.307 315 H GLY 40 H GLY 40 6.134 3.170 -4.920 316 HA2 GLY 40 1HA GLY 40 6.340 1.742 -6.996 317 HA3 GLY 40 2HA GLY 40 5.085 0.675 -6.405 318 H THR 41 H THR 41 5.396 4.171 -7.082 319 HA THR 41 HA THR 41 3.266 4.239 -9.189 320 HB THR 41 HB THR 41 2.901 5.304 -6.298 321 HG1 THR 41 HG1 THR 41 2.292 3.095 -7.295 322 HG21 THR 41 3HG2 THR 41 0.654 6.143 -6.999 323 HG22 THR 41 1HG2 THR 41 1.923 7.080 -7.737 324 HG23 THR 41 2HG2 THR 41 1.038 5.857 -8.692 325 HA PRO 42 HA PRO 42 5.787 8.103 -9.925 326 HB2 PRO 42 1HB PRO 42 4.072 9.534 -11.619 327 HB3 PRO 42 2HB PRO 42 5.010 8.107 -12.110 328 HG2 PRO 42 1HG PRO 42 2.078 8.164 -11.164 329 HG3 PRO 42 2HG PRO 42 2.709 7.446 -12.671 330 HD2 PRO 42 1HD PRO 42 2.278 5.886 -10.444 331 HD3 PRO 42 2HD PRO 42 3.719 5.569 -11.433 332 H SER 43 H SER 43 5.622 10.489 -9.582 333 HA SER 43 HA SER 43 3.778 11.180 -7.255 334 HG SER 43 HG SER 43 6.921 12.251 -8.857 335 HB2 SER 43 1HB SER 43 5.460 12.598 -6.439 336 HB3 SER 43 2HB SER 43 6.292 11.138 -6.922 337 H ILE 44 H ILE 44 4.444 13.996 -7.703 338 HA ILE 44 HA ILE 44 2.638 14.729 -10.060 339 HB ILE 44 HB ILE 44 2.443 16.097 -7.306 340 HG12 ILE 44 1HG1 ILE 44 0.274 14.695 -9.023 341 HG13 ILE 44 2HG1 ILE 44 1.090 13.928 -7.669 342 HG21 ILE 44 1HG2 ILE 44 2.417 17.811 -9.181 343 HG22 ILE 44 2HG2 ILE 44 1.156 16.878 -10.027 344 HG23 ILE 44 3HG2 ILE 44 0.820 17.664 -8.463 345 HD11 ILE 44 3HD1 ILE 44 -0.698 16.430 -7.414 346 HD12 ILE 44 1HD1 ILE 44 -1.061 14.787 -6.884 347 HD13 ILE 44 2HD1 ILE 44 0.237 15.708 -6.089 348 HA PRO 45 HA PRO 45 6.984 16.386 -9.990 349 HB2 PRO 45 1HB PRO 45 7.751 16.011 -12.608 350 HB3 PRO 45 2HB PRO 45 7.475 14.676 -11.468 351 HG2 PRO 45 1HG PRO 45 5.441 15.812 -13.500 352 HG3 PRO 45 2HG PRO 45 5.979 14.114 -13.365 353 HD2 PRO 45 1HD PRO 45 3.670 14.960 -12.095 354 HD3 PRO 45 2HD PRO 45 4.760 13.794 -11.286 355 H ASP 46 H ASP 46 5.488 18.313 -9.537 356 HA ASP 46 HA ASP 46 6.338 20.582 -11.399 357 HB2 ASP 46 1HB ASP 46 4.016 20.750 -10.744 358 HB3 ASP 46 2HB ASP 46 4.397 20.680 -9.031 359 HA PRO 47 HA PRO 47 9.592 21.280 -8.077 360 HB2 PRO 47 1HB PRO 47 11.290 22.898 -9.511 361 HB3 PRO 47 2HB PRO 47 11.150 21.157 -9.840 362 HG2 PRO 47 1HG PRO 47 9.718 23.447 -11.333 363 HG3 PRO 47 2HG PRO 47 10.688 22.136 -12.056 364 HD2 PRO 47 1HD PRO 47 7.891 22.038 -11.799 365 HD3 PRO 47 2HD PRO 47 8.884 20.545 -11.774 366 H PHE 48 H PHE 48 7.241 23.461 -9.403 367 HA PHE 48 HA PHE 48 8.159 25.812 -7.746 368 HD1 PHE 48 HD1 PHE 48 7.975 28.321 -9.108 369 HD2 PHE 48 HD2 PHE 48 4.064 26.796 -8.148 370 HE1 PHE 48 HE1 PHE 48 7.265 30.572 -8.398 371 HE2 PHE 48 HE2 PHE 48 3.365 29.052 -7.438 372 HZ PHE 48 HZ PHE 48 4.962 30.944 -7.560 373 HB2 PHE 48 1HB PHE 48 7.139 26.061 -10.017 374 HB3 PHE 48 2HB PHE 48 5.627 25.402 -9.453 375 H HIS 49 H HIS 49 5.005 23.981 -7.693 376 HA HIS 49 HA HIS 49 5.229 23.666 -4.728 377 HD1 HIS 49 HD1 HIS 49 4.552 24.876 -2.134 378 HD2 HIS 49 HD2 HIS 49 0.944 24.925 -4.464 379 HE1 HIS 49 HE1 HIS 49 2.542 24.582 -0.649 380 HB2 HIS 49 1HB HIS 49 4.538 26.049 -4.866 381 HB3 HIS 49 2HB HIS 49 3.117 25.627 -5.811 382 H ALA 50 H ALA 50 5.229 21.575 -5.774 383 HA ALA 50 HA ALA 50 2.743 20.392 -6.793 384 HB1 ALA 50 3HB ALA 50 5.040 19.537 -7.273 385 HB2 ALA 50 1HB ALA 50 5.221 19.046 -5.571 386 HB3 ALA 50 2HB ALA 50 3.998 18.284 -6.602 387 H GLN 51 H GLN 51 1.038 20.619 -5.423 388 HA GLN 51 HA GLN 51 1.006 19.907 -2.577 389 HB2 GLN 51 1HB GLN 51 -1.264 20.259 -4.654 390 HB3 GLN 51 2HB GLN 51 -1.569 20.040 -2.946 391 HG2 GLN 51 1HG GLN 51 -0.151 22.080 -2.404 392 HG3 GLN 51 2HG GLN 51 -0.010 22.406 -4.126 393 HE21 GLN 51 1HE2 GLN 51 -0.997 24.338 -2.771 394 HE22 GLN 51 2HE2 GLN 51 -2.829 24.451 -2.974 395 H ARG 52 H ARG 52 -1.112 18.405 -2.064 396 HA ARG 52 HA ARG 52 0.097 15.923 -1.649 397 HE ARG 52 HE ARG 52 -5.787 16.107 -2.506 398 HB2 ARG 52 1HB ARG 52 -1.796 15.267 -0.480 399 HB3 ARG 52 2HB ARG 52 -1.766 16.999 -0.343 400 HG2 ARG 52 1HG ARG 52 -3.588 15.210 -2.015 401 HG3 ARG 52 2HG ARG 52 -3.996 16.020 -0.530 402 HD2 ARG 52 1HD ARG 52 -3.893 18.272 -1.639 403 HD3 ARG 52 2HD ARG 52 -3.345 17.513 -3.163 404 HH11 ARG 52 2HH2 ARG 52 -4.940 19.383 -3.384 405 HH12 ARG 52 1HH2 ARG 52 -6.533 19.569 -4.266 406 HH21 ARG 52 2HH1 ARG 52 -7.388 16.315 -3.420 407 HH22 ARG 52 1HH1 ARG 52 -7.925 17.865 -4.286 408 H TRP 53 H TRP 53 -0.190 13.852 -2.201 409 HA TRP 53 HA TRP 53 -0.904 13.233 -5.127 410 HD1 TRP 53 HD1 TRP 53 -1.289 10.450 -6.033 411 HE1 TRP 53 HE1 TRP 53 -0.967 7.857 -6.063 412 HE3 TRP 53 HE3 TRP 53 2.788 10.256 -2.902 413 HZ2 TRP 53 HZ2 TRP 53 0.766 6.055 -4.705 414 HZ3 TRP 53 HZ3 TRP 53 3.644 8.036 -2.220 415 HH2 TRP 53 HH2 TRP 53 2.634 5.973 -3.074 416 HB2 TRP 53 1HB TRP 53 1.249 12.527 -4.769 417 HB3 TRP 53 2HB TRP 53 0.973 11.948 -3.132 418 H ASP 54 H ASP 54 -2.999 13.119 -5.089 419 HA ASP 54 HA ASP 54 -4.534 11.753 -2.847 420 HB2 ASP 54 1HB ASP 54 -4.546 14.340 -3.634 421 HB3 ASP 54 2HB ASP 54 -5.621 13.800 -4.876 422 H TYR 55 H TYR 55 -3.893 9.719 -4.434 423 HA TYR 55 HA TYR 55 -5.871 9.516 -6.705 424 HD1 TYR 55 HD1 TYR 55 -3.379 7.249 -4.339 425 HD2 TYR 55 HD2 TYR 55 -3.071 6.615 -8.596 426 HE1 TYR 55 HE1 TYR 55 -1.881 5.310 -3.978 427 HE2 TYR 55 HE2 TYR 55 -1.584 4.718 -8.203 428 HH TYR 55 HH TYR 55 -0.014 3.952 -6.486 429 HB2 TYR 55 1HB TYR 55 -4.716 8.114 -7.810 430 HB3 TYR 55 2HB TYR 55 -3.503 9.132 -7.107 431 H THR 56 H THR 56 -7.864 9.109 -5.896 432 HA THR 56 HA THR 56 -8.365 6.439 -4.529 433 HB THR 56 HB THR 56 -10.389 8.449 -5.646 434 HG1 THR 56 HG1 THR 56 -9.502 7.808 -3.000 435 HG21 THR 56 3HG2 THR 56 -12.010 7.178 -4.187 436 HG22 THR 56 1HG2 THR 56 -11.411 6.167 -5.517 437 HG23 THR 56 2HG2 THR 56 -10.784 5.922 -3.880 438 H SER 57 H SER 57 -7.268 5.178 -5.977 439 HA SER 57 HA SER 57 -8.194 5.084 -8.861 440 HG SER 57 HG SER 57 -5.454 4.283 -6.563 441 HB2 SER 57 1HB SER 57 -5.918 4.559 -9.386 442 HB3 SER 57 2HB SER 57 -5.900 5.903 -8.247 443 H THR 58 H THR 58 -8.708 3.380 -9.909 444 HA THR 58 HA THR 58 -7.832 0.658 -8.912 445 HB THR 58 HB THR 58 -10.258 0.696 -8.724 446 HG1 THR 58 HG1 THR 58 -8.846 -0.991 -10.491 447 HG21 THR 58 3HG2 THR 58 -10.388 0.643 -11.813 448 HG22 THR 58 1HG2 THR 58 -11.719 0.374 -10.667 449 HG23 THR 58 2HG2 THR 58 -10.963 1.981 -10.803 450 H GLN 59 H GLN 59 -6.444 -0.190 -10.161 451 HA GLN 59 HA GLN 59 -5.674 1.311 -12.723 452 HB2 GLN 59 1HB GLN 59 -3.987 -0.236 -10.703 453 HB3 GLN 59 2HB GLN 59 -3.346 0.472 -12.175 454 HG2 GLN 59 1HG GLN 59 -3.880 2.757 -11.466 455 HG3 GLN 59 2HG GLN 59 -4.859 2.225 -10.119 456 HE21 GLN 59 1HE2 GLN 59 -3.692 0.915 -8.434 457 HE22 GLN 59 2HE2 GLN 59 -1.994 1.545 -8.046 458 H ARG 60 H ARG 60 -6.412 0.314 -14.350 459 HA ARG 60 HA ARG 60 -7.063 -1.208 -15.941 460 HE ARG 60 HE ARG 60 -7.091 -4.420 -18.931 461 HB2 ARG 60 1HB ARG 60 -4.608 -1.809 -15.942 462 HB3 ARG 60 2HB ARG 60 -4.973 -3.156 -14.876 463 HG2 ARG 60 1HG ARG 60 -4.895 -4.138 -17.022 464 HG3 ARG 60 2HG ARG 60 -6.599 -4.073 -16.630 465 HD2 ARG 60 1HD ARG 60 -6.619 -1.791 -18.048 466 HD3 ARG 60 2HD ARG 60 -4.985 -2.269 -18.548 467 HH11 ARG 60 2HH2 ARG 60 -5.558 -1.676 -20.444 468 HH12 ARG 60 1HH2 ARG 60 -6.208 -2.133 -22.092 469 HH21 ARG 60 2HH1 ARG 60 -7.943 -4.849 -20.843 470 HH22 ARG 60 1HH1 ARG 60 -7.427 -3.835 -22.269 471 H VAL 61 H VAL 61 -9.061 -1.124 -14.785 472 HA VAL 61 HA VAL 61 -10.086 -3.381 -13.338 473 HB VAL 61 HB VAL 61 -11.132 -1.149 -13.479 474 HG11 VAL 61 1HG1 VAL 61 -12.424 -2.047 -16.147 475 HG12 VAL 61 2HG1 VAL 61 -12.790 -0.579 -15.216 476 HG13 VAL 61 3HG1 VAL 61 -11.207 -0.763 -15.988 477 HG21 VAL 61 3HG2 VAL 61 -13.452 -1.932 -13.206 478 HG22 VAL 61 1HG2 VAL 61 -13.078 -3.482 -13.998 479 HG23 VAL 61 2HG2 VAL 61 -12.314 -3.061 -12.447 480 H ASP 62 H ASP 62 -9.897 -3.115 -16.854 481 HA ASP 62 HA ASP 62 -10.850 -5.977 -17.225 482 HB2 ASP 62 1HB ASP 62 -11.342 -4.392 -18.999 483 HB3 ASP 62 2HB ASP 62 -9.650 -3.935 -19.187 484 H ARG 63 H ARG 63 -9.316 -6.433 -15.454 485 HA ARG 63 HA ARG 63 -7.842 -8.551 -16.710 486 HE ARG 63 HE ARG 63 -7.249 -7.310 -18.993 487 HB2 ARG 63 1HB ARG 63 -5.930 -6.584 -15.330 488 HB3 ARG 63 2HB ARG 63 -5.616 -8.302 -15.329 489 HG2 ARG 63 1HG ARG 63 -5.460 -6.405 -17.693 490 HG3 ARG 63 2HG ARG 63 -4.264 -7.408 -16.954 491 HD2 ARG 63 1HD ARG 63 -4.641 -8.560 -18.926 492 HD3 ARG 63 2HD ARG 63 -5.645 -9.499 -17.798 493 HH11 ARG 63 2HH2 ARG 63 -5.989 -10.458 -19.789 494 HH12 ARG 63 1HH2 ARG 63 -7.323 -10.754 -21.010 495 HH21 ARG 63 2HH1 ARG 63 -8.669 -7.604 -20.505 496 HH22 ARG 63 1HH1 ARG 63 -8.784 -9.229 -21.331 497 H LEU 64 H LEU 64 -9.233 -9.744 -15.535 498 HA LEU 64 HA LEU 64 -9.854 -9.579 -12.775 499 HG LEU 64 HG LEU 64 -12.179 -12.117 -14.316 500 HB2 LEU 64 1HB LEU 64 -9.819 -11.948 -14.746 501 HB3 LEU 64 2HB LEU 64 -10.179 -12.264 -13.081 502 HD11 LEU 64 1HD1 LEU 64 -12.132 -9.654 -12.459 503 HD12 LEU 64 2HD1 LEU 64 -13.473 -10.774 -12.779 504 HD13 LEU 64 3HD1 LEU 64 -12.033 -11.330 -11.884 505 HD21 LEU 64 3HD2 LEU 64 -11.646 -9.142 -14.961 506 HD22 LEU 64 1HD2 LEU 64 -11.588 -10.483 -16.130 507 HD23 LEU 64 2HD2 LEU 64 -13.112 -10.069 -15.327 508 H ALA 65 H ALA 65 -7.233 -11.583 -14.023 509 HA ALA 65 HA ALA 65 -6.126 -12.217 -11.320 510 HB1 ALA 65 3HB ALA 65 -5.773 -13.713 -13.288 511 HB2 ALA 65 1HB ALA 65 -4.814 -12.450 -14.111 512 HB3 ALA 65 2HB ALA 65 -4.229 -13.187 -12.604 513 H ARG 66 H ARG 66 -6.029 -9.183 -12.751 514 HA ARG 66 HA ARG 66 -4.078 -8.313 -10.873 515 HE ARG 66 HE ARG 66 0.619 -6.684 -10.445 516 HB2 ARG 66 1HB ARG 66 -2.449 -9.147 -12.689 517 HB3 ARG 66 2HB ARG 66 -3.006 -7.828 -13.704 518 HG2 ARG 66 1HG ARG 66 -1.011 -7.029 -12.682 519 HG3 ARG 66 2HG ARG 66 -2.291 -6.178 -11.828 520 HD2 ARG 66 1HD ARG 66 -2.109 -7.986 -9.945 521 HD3 ARG 66 2HD ARG 66 -0.792 -8.698 -10.823 522 HH11 ARG 66 2HH2 ARG 66 -2.500 -6.466 -8.581 523 HH12 ARG 66 1HH2 ARG 66 -1.646 -5.153 -7.608 524 HH21 ARG 66 2HH1 ARG 66 1.296 -5.180 -9.160 525 HH22 ARG 66 1HH1 ARG 66 0.129 -4.516 -7.879 526 H THR 67 H THR 67 -5.891 -7.188 -10.297 527 HA THR 67 HA THR 67 -6.277 -4.517 -11.819 528 HB THR 67 HB THR 67 -8.429 -6.005 -10.187 529 HG1 THR 67 HG1 THR 67 -7.968 -6.615 -12.462 530 HG21 THR 67 3HG2 THR 67 -9.937 -4.137 -10.978 531 HG22 THR 67 1HG2 THR 67 -8.694 -3.523 -9.873 532 HG23 THR 67 2HG2 THR 67 -8.525 -3.264 -11.632 533 H GLU 68 H GLU 68 -4.911 -3.255 -10.691 534 HA GLU 68 HA GLU 68 -4.431 -3.711 -7.742 535 HB2 GLU 68 1HB GLU 68 -2.577 -3.491 -9.374 536 HB3 GLU 68 2HB GLU 68 -3.037 -1.856 -9.751 537 HG2 GLU 68 1HG GLU 68 -1.195 -1.703 -8.249 538 HG3 GLU 68 2HG GLU 68 -2.587 -1.165 -7.336 539 H ILE 69 H ILE 69 -6.246 -2.932 -6.674 540 HA ILE 69 HA ILE 69 -7.150 -0.136 -7.015 541 HB ILE 69 HB ILE 69 -8.048 -1.875 -4.655 542 HG12 ILE 69 1HG1 ILE 69 -10.151 -2.208 -6.371 543 HG13 ILE 69 2HG1 ILE 69 -8.903 -2.134 -7.598 544 HG21 ILE 69 1HG2 ILE 69 -8.680 0.572 -4.653 545 HG22 ILE 69 2HG2 ILE 69 -9.415 0.402 -6.266 546 HG23 ILE 69 3HG2 ILE 69 -10.090 -0.461 -4.866 547 HD11 ILE 69 3HD1 ILE 69 -9.040 -4.110 -5.206 548 HD12 ILE 69 1HD1 ILE 69 -9.387 -4.479 -6.909 549 HD13 ILE 69 2HD1 ILE 69 -7.732 -4.122 -6.407 550 H LYS 70 H LYS 70 -6.506 1.605 -5.954 551 HA LYS 70 HA LYS 70 -4.925 1.467 -3.375 552 HB2 LYS 70 1HB LYS 70 -3.710 2.647 -5.957 553 HB3 LYS 70 2HB LYS 70 -3.098 2.980 -4.351 554 HG2 LYS 70 1HG LYS 70 -3.246 0.152 -5.556 555 HG3 LYS 70 2HG LYS 70 -1.860 1.210 -5.712 556 HD2 LYS 70 1HD LYS 70 -1.290 1.178 -3.436 557 HD3 LYS 70 2HD LYS 70 -2.864 0.706 -2.864 558 HE2 LYS 70 1HE LYS 70 -1.067 -1.182 -4.539 559 HE3 LYS 70 2HE LYS 70 -1.024 -1.108 -2.789 560 HZ1 LYS 70 3HZ LYS 70 -3.777 -1.390 -3.640 561 HZ2 LYS 70 1HZ LYS 70 -2.853 -2.530 -4.421 562 HZ3 LYS 70 2HZ LYS 70 -2.890 -2.454 -2.728 563 H ASN 71 H ASN 71 -6.561 2.571 -2.506 564 HA ASN 71 HA ASN 71 -7.006 5.482 -3.209 565 HB2 ASN 71 1HB ASN 71 -8.899 3.927 -2.663 566 HB3 ASN 71 2HB ASN 71 -8.269 3.716 -1.037 567 HD21 ASN 71 1HD2 ASN 71 -10.126 4.548 -0.117 568 HD22 ASN 71 2HD2 ASN 71 -10.568 6.339 -0.289 569 H PHE 72 H PHE 72 -5.056 6.381 -2.766 570 HA PHE 72 HA PHE 72 -4.234 6.594 0.200 571 HD1 PHE 72 HD2 PHE 72 -2.477 5.901 1.559 572 HD2 PHE 72 HD1 PHE 72 -0.083 7.274 -1.729 573 HE1 PHE 72 HE2 PHE 72 -0.589 6.206 3.080 574 HE2 PHE 72 HE1 PHE 72 1.823 7.602 -0.174 575 HZ PHE 72 HZ PHE 72 1.584 7.049 2.211 576 HB2 PHE 72 1HB PHE 72 -2.663 5.110 -1.212 577 HB3 PHE 72 2HB PHE 72 -2.298 6.513 -2.198 578 H THR 73 H THR 73 -4.235 8.595 0.940 579 HA THR 73 HA THR 73 -3.746 10.946 -1.004 580 HB THR 73 HB THR 73 -5.632 10.968 1.377 581 HG1 THR 73 HG1 THR 73 -6.367 11.737 -1.222 582 HG21 THR 73 3HG2 THR 73 -6.169 13.307 0.542 583 HG22 THR 73 1HG2 THR 73 -4.496 13.218 1.140 584 HG23 THR 73 2HG2 THR 73 -4.806 13.201 -0.602 585 H VAL 74 H VAL 74 -1.689 11.424 -0.694 586 HA VAL 74 HA VAL 74 -0.644 11.740 2.175 587 HB VAL 74 HB VAL 74 0.245 9.777 1.188 588 HG11 VAL 74 1HG1 VAL 74 1.970 9.857 -0.663 589 HG12 VAL 74 2HG1 VAL 74 0.349 10.264 -1.258 590 HG13 VAL 74 3HG1 VAL 74 1.546 11.551 -0.991 591 HG21 VAL 74 3HG2 VAL 74 1.709 11.160 2.785 592 HG22 VAL 74 1HG2 VAL 74 2.605 10.075 1.684 593 HG23 VAL 74 2HG2 VAL 74 2.533 11.837 1.373 594 H PHE 75 H PHE 75 0.211 13.519 2.772 595 HA PHE 75 HA PHE 75 -0.290 15.855 0.989 596 HD1 PHE 75 HD2 PHE 75 -2.167 17.762 1.982 597 HD2 PHE 75 HD1 PHE 75 -1.904 14.084 4.208 598 HE1 PHE 75 HE2 PHE 75 -4.610 17.503 1.861 599 HE2 PHE 75 HE1 PHE 75 -4.354 13.847 4.085 600 HZ PHE 75 HZ PHE 75 -5.711 15.545 2.921 601 HB2 PHE 75 1HB PHE 75 0.120 15.608 4.022 602 HB3 PHE 75 2HB PHE 75 -0.044 17.154 3.220 603 H PHE 76 H PHE 76 1.075 17.095 0.072 604 HA PHE 76 HA PHE 76 4.021 17.203 0.934 605 HD1 PHE 76 HD1 PHE 76 4.917 15.097 0.203 606 HD2 PHE 76 HD2 PHE 76 2.836 15.890 -3.444 607 HE1 PHE 76 HE1 PHE 76 5.083 12.710 -0.400 608 HE2 PHE 76 HE2 PHE 76 3.085 13.523 -4.107 609 HZ PHE 76 HZ PHE 76 4.196 11.920 -2.565 610 HB2 PHE 76 1HB PHE 76 2.940 17.607 -1.920 611 HB3 PHE 76 2HB PHE 76 4.618 17.644 -1.435 612 H GLU 77 H GLU 77 4.942 19.263 0.908 613 HA GLU 77 HA GLU 77 3.168 21.688 0.272 614 HB2 GLU 77 1HB GLU 77 4.345 21.806 2.360 615 HB3 GLU 77 2HB GLU 77 5.901 21.548 1.624 616 HG2 GLU 77 1HG GLU 77 4.115 24.007 1.032 617 HG3 GLU 77 2HG GLU 77 5.312 23.935 2.307 618 H ASN 78 H ASN 78 6.569 20.981 -0.533 619 HA ASN 78 HA ASN 78 5.709 20.803 -3.476 620 HB2 ASN 78 1HB ASN 78 6.815 23.006 -2.997 621 HB3 ASN 78 2HB ASN 78 8.267 22.205 -2.452 622 HD21 ASN 78 1HD2 ASN 78 9.819 21.811 -4.339 623 HD22 ASN 78 2HD2 ASN 78 9.261 22.666 -5.838 624 H GLU 79 H GLU 79 8.787 20.198 -1.778 625 HA GLU 79 HA GLU 79 8.785 17.314 -2.786 626 HB2 GLU 79 1HB GLU 79 10.945 19.146 -1.582 627 HB3 GLU 79 2HB GLU 79 11.138 17.420 -1.478 628 HG2 GLU 79 1HG GLU 79 12.359 18.186 -3.374 629 HG3 GLU 79 2HG GLU 79 11.080 17.126 -3.925 630 H GLN 80 H GLN 80 8.454 19.096 0.312 631 HA GLN 80 HA GLN 80 9.438 16.743 1.853 632 HB2 GLN 80 1HB GLN 80 9.322 18.041 3.804 633 HB3 GLN 80 2HB GLN 80 10.266 18.833 2.563 634 HG2 GLN 80 1HG GLN 80 7.377 19.652 3.325 635 HG3 GLN 80 2HG GLN 80 8.818 20.288 4.076 636 HE21 GLN 80 1HE2 GLN 80 8.855 22.365 3.407 637 HE22 GLN 80 2HE2 GLN 80 8.374 22.891 1.712 638 H VAL 81 H VAL 81 8.312 15.373 2.883 639 HA VAL 81 HA VAL 81 5.377 15.207 2.281 640 HB VAL 81 HB VAL 81 7.095 13.009 3.577 641 HG11 VAL 81 1HG1 VAL 81 4.616 12.658 3.710 642 HG12 VAL 81 2HG1 VAL 81 4.471 12.940 1.960 643 HG13 VAL 81 3HG1 VAL 81 5.335 11.503 2.571 644 HG21 VAL 81 3HG2 VAL 81 7.282 12.012 1.232 645 HG22 VAL 81 1HG2 VAL 81 6.819 13.606 0.573 646 HG23 VAL 81 2HG2 VAL 81 8.276 13.437 1.516 647 H VAL 82 H VAL 82 3.850 15.684 3.649 648 HA VAL 82 HA VAL 82 4.549 16.333 6.522 649 HB VAL 82 HB VAL 82 1.977 16.961 4.940 650 HG11 VAL 82 1HG1 VAL 82 1.580 16.996 7.450 651 HG12 VAL 82 2HG1 VAL 82 2.957 18.097 7.658 652 HG13 VAL 82 3HG1 VAL 82 1.514 18.621 6.757 653 HG21 VAL 82 3HG2 VAL 82 3.932 18.220 3.966 654 HG22 VAL 82 1HG2 VAL 82 2.856 19.314 4.842 655 HG23 VAL 82 2HG2 VAL 82 4.393 18.797 5.583 656 H ARG 83 H ARG 83 1.738 14.591 5.061 657 HA ARG 83 HA ARG 83 2.007 12.340 6.927 658 HE ARG 83 HE ARG 83 -1.931 12.246 9.118 659 HB2 ARG 83 1HB ARG 83 0.141 12.575 8.360 660 HB3 ARG 83 2HB ARG 83 1.146 13.973 8.575 661 HG2 ARG 83 1HG ARG 83 -0.385 15.477 7.490 662 HG3 ARG 83 2HG ARG 83 -1.273 14.211 6.671 663 HD2 ARG 83 1HD ARG 83 -1.265 14.576 9.743 664 HD3 ARG 83 2HD ARG 83 -2.494 15.235 8.689 665 HH11 ARG 83 2HH2 ARG 83 -4.034 14.585 7.619 666 HH12 ARG 83 1HH2 ARG 83 -5.158 13.241 7.012 667 HH21 ARG 83 2HH1 ARG 83 -3.268 10.798 8.516 668 HH22 ARG 83 1HH1 ARG 83 -4.784 11.253 7.586 669 H TRP 84 H TRP 84 0.160 10.837 6.850 670 HA TRP 84 HA TRP 84 -1.007 10.703 4.035 671 HD1 TRP 84 HD1 TRP 84 -0.195 6.989 6.772 672 HE1 TRP 84 HE1 TRP 84 1.940 6.433 8.221 673 HE3 TRP 84 HE3 TRP 84 3.024 10.288 4.475 674 HZ2 TRP 84 HZ2 TRP 84 4.590 7.447 8.297 675 HZ3 TRP 84 HZ3 TRP 84 5.346 10.468 5.332 676 HH2 TRP 84 HH2 TRP 84 6.109 9.095 7.197 677 HB2 TRP 84 1HB TRP 84 -0.413 8.211 4.148 678 HB3 TRP 84 2HB TRP 84 0.804 9.392 3.781 679 H GLU 85 H GLU 85 -2.903 10.022 3.636 680 HA GLU 85 HA GLU 85 -4.655 8.673 5.759 681 HB2 GLU 85 1HB GLU 85 -5.628 9.503 2.974 682 HB3 GLU 85 2HB GLU 85 -6.564 9.044 4.376 683 HG2 GLU 85 1HG GLU 85 -4.992 11.653 3.977 684 HG3 GLU 85 2HG GLU 85 -6.711 11.436 3.770 685 H GLY 86 H GLY 86 -4.329 6.535 5.662 686 HA2 GLY 86 1HA GLY 86 -3.774 5.091 3.012 687 HA3 GLY 86 2HA GLY 86 -3.281 4.545 4.580 688 H ASP 87 H ASP 87 -5.980 4.908 2.430 689 HA ASP 87 HA ASP 87 -7.537 2.650 3.768 690 HB2 ASP 87 1HB ASP 87 -8.776 4.598 2.976 691 HB3 ASP 87 2HB ASP 87 -8.143 4.452 1.347 692 H TYR 88 H TYR 88 -6.418 3.243 0.497 693 HA TYR 88 HA TYR 88 -5.418 1.900 -1.111 694 HD1 TYR 88 HD2 TYR 88 -4.118 0.400 2.388 695 HD2 TYR 88 HD1 TYR 88 -1.714 3.607 0.814 696 HE1 TYR 88 HE2 TYR 88 -2.876 0.519 4.497 697 HE2 TYR 88 HE1 TYR 88 -0.437 3.664 2.864 698 HH TYR 88 HH TYR 88 -1.582 2.282 5.751 699 HB2 TYR 88 1HB TYR 88 -3.133 1.815 -0.682 700 HB3 TYR 88 2HB TYR 88 -3.929 3.248 -0.116 701 H PHE 89 H PHE 89 -6.470 -0.339 1.013 702 HA PHE 89 HA PHE 89 -6.745 -2.701 0.752 703 HD1 PHE 89 HD2 PHE 89 -7.780 -0.247 -1.935 704 HD2 PHE 89 HD1 PHE 89 -8.760 -4.383 -1.222 705 HE1 PHE 89 HE2 PHE 89 -10.175 0.282 -2.117 706 HE2 PHE 89 HE1 PHE 89 -11.149 -3.845 -1.452 707 HZ PHE 89 HZ PHE 89 -11.867 -1.514 -1.890 708 HB2 PHE 89 1HB PHE 89 -6.005 -2.209 -2.183 709 HB3 PHE 89 2HB PHE 89 -6.431 -3.769 -1.538 710 HA PRO 90 HA PRO 90 -2.173 -3.028 1.440 711 HB2 PRO 90 1HB PRO 90 -2.100 -3.623 4.141 712 HB3 PRO 90 2HB PRO 90 -2.624 -2.040 3.504 713 HG2 PRO 90 1HG PRO 90 -4.445 -4.416 4.273 714 HG3 PRO 90 2HG PRO 90 -4.517 -2.755 4.931 715 HD2 PRO 90 1HD PRO 90 -6.111 -3.482 2.794 716 HD3 PRO 90 2HD PRO 90 -5.361 -1.857 2.849 717 H SER 91 H SER 91 -3.026 -4.933 -0.010 718 HA SER 91 HA SER 91 -1.255 -7.257 0.669 719 HG SER 91 HG SER 91 -4.407 -7.809 -0.668 720 HB2 SER 91 1HB SER 91 -2.867 -9.071 0.681 721 HB3 SER 91 2HB SER 91 -3.321 -7.936 1.956 722 H GLN 92 H GLN 92 -0.353 -6.384 -1.247 723 HA GLN 92 HA GLN 92 -1.729 -7.282 -3.830 724 HB2 GLN 92 1HB GLN 92 -0.863 -5.383 -4.969 725 HB3 GLN 92 2HB GLN 92 -1.849 -4.906 -3.621 726 HG2 GLN 92 1HG GLN 92 1.250 -4.830 -3.660 727 HG3 GLN 92 2HG GLN 92 0.204 -3.505 -4.102 728 HE21 GLN 92 1HE2 GLN 92 2.032 -4.523 -1.621 729 HE22 GLN 92 2HE2 GLN 92 1.079 -3.678 -0.263 730 H ASP 93 H ASP 93 -0.462 -9.173 -2.875 731 HA ASP 93 HA ASP 93 1.659 -9.633 -5.043 732 HB2 ASP 93 1HB ASP 93 2.289 -11.716 -3.962 733 HB3 ASP 93 2HB ASP 93 2.677 -10.272 -3.067 734 H GLU 94 H GLU 94 -0.255 -9.188 -6.229 735 HA GLU 94 HA GLU 94 -2.425 -11.227 -6.345 736 HB2 GLU 94 1HB GLU 94 -2.745 -8.740 -6.224 737 HB3 GLU 94 2HB GLU 94 -1.975 -8.565 -7.792 738 HG2 GLU 94 1HG GLU 94 -3.909 -10.108 -8.727 739 HG3 GLU 94 2HG GLU 94 -4.680 -9.918 -7.161 740 H GLN 95 H GLN 95 -0.930 -12.816 -7.090 741 HA GLN 95 HA GLN 95 -0.976 -13.031 -10.175 742 HB2 GLN 95 1HB GLN 95 1.327 -12.968 -8.939 743 HB3 GLN 95 2HB GLN 95 0.978 -14.586 -8.364 744 HG2 GLN 95 1HG GLN 95 1.187 -13.639 -11.311 745 HG3 GLN 95 2HG GLN 95 2.430 -14.447 -10.397 746 HE21 GLN 95 1HE2 GLN 95 -0.381 -14.968 -12.313 747 HE22 GLN 95 2HE2 GLN 95 -0.268 -16.803 -12.201 748 H LEU 96 H LEU 96 -3.141 -13.608 -9.782 749 HA LEU 96 HA LEU 96 -3.951 -16.062 -8.466 750 HG LEU 96 HG LEU 96 -6.997 -13.828 -8.859 751 HB2 LEU 96 1HB LEU 96 -5.418 -14.384 -10.586 752 HB3 LEU 96 2HB LEU 96 -6.131 -15.777 -9.836 753 HD11 LEU 96 1HD1 LEU 96 -6.745 -14.319 -6.465 754 HD12 LEU 96 2HD1 LEU 96 -6.747 -15.842 -7.370 755 HD13 LEU 96 3HD1 LEU 96 -5.222 -15.187 -6.727 756 HD21 LEU 96 3HD2 LEU 96 -4.243 -12.977 -7.764 757 HD22 LEU 96 1HD2 LEU 96 -5.078 -12.216 -9.136 758 HD23 LEU 96 2HD2 LEU 96 -5.806 -12.177 -7.527 759 H ALA 97 H ALA 97 -2.395 -17.533 -9.297 760 HA ALA 97 HA ALA 97 -2.614 -18.692 -11.991 761 HB1 ALA 97 3HB ALA 97 -1.275 -19.808 -9.443 762 HB2 ALA 97 1HB ALA 97 -0.986 -20.360 -11.103 763 HB3 ALA 97 2HB ALA 97 -0.534 -18.712 -10.633 764 H LYS 98 H LYS 98 -4.861 -19.069 -12.141 765 HA LYS 98 HA LYS 98 -6.224 -21.072 -10.462 766 HB2 LYS 98 1HB LYS 98 -7.225 -19.019 -11.579 767 HB3 LYS 98 2HB LYS 98 -7.217 -19.852 -13.123 768 HG2 LYS 98 1HG LYS 98 -8.616 -20.946 -10.581 769 HG3 LYS 98 2HG LYS 98 -9.384 -19.767 -11.624 770 HD2 LYS 98 1HD LYS 98 -9.493 -21.253 -13.531 771 HD3 LYS 98 2HD LYS 98 -8.375 -22.402 -12.836 772 HE2 LYS 98 1HE LYS 98 -10.100 -22.783 -10.897 773 HE3 LYS 98 2HE LYS 98 -11.255 -21.848 -11.858 774 HZ1 LYS 98 3HZ LYS 98 -10.866 -23.489 -13.732 775 HZ2 LYS 98 1HZ LYS 98 -9.750 -24.300 -12.830 776 HZ3 LYS 98 2HZ LYS 98 -11.344 -24.322 -12.390 777 H ALA 99 H ALA 99 -6.114 -23.201 -10.632 778 HA ALA 99 HA ALA 99 -4.893 -24.700 -12.763 779 HB1 ALA 99 3HB ALA 99 -5.015 -25.460 -10.416 780 HB2 ALA 99 1HB ALA 99 -6.780 -25.686 -10.526 781 HB3 ALA 99 2HB ALA 99 -5.684 -26.697 -11.491 782 H ALA 100 H ALA 100 -5.667 -24.748 -14.729 783 HA ALA 100 HA ALA 100 -8.572 -25.515 -15.345 784 HB1 ALA 100 3HB ALA 100 -8.087 -24.598 -17.606 785 HB2 ALA 100 1HB ALA 100 -7.740 -23.404 -16.338 786 HB3 ALA 100 2HB ALA 100 -6.405 -24.262 -17.145 787 HA PRO 101 HA PRO 101 -6.199 -29.450 -16.139 788 HB2 PRO 101 1HB PRO 101 -8.074 -31.333 -15.436 789 HB3 PRO 101 2HB PRO 101 -7.256 -30.277 -14.263 790 HG2 PRO 101 1HG PRO 101 -10.030 -29.831 -15.537 791 HG3 PRO 101 2HG PRO 101 -9.638 -29.844 -13.795 792 HD2 PRO 101 1HD PRO 101 -9.774 -27.481 -15.245 793 HD3 PRO 101 2HD PRO 101 -8.572 -27.669 -13.928 794 H LYS 102 H LYS 102 -6.262 -28.580 -18.317 795 HA LYS 102 HA LYS 102 -8.187 -29.595 -20.294 796 HB2 LYS 102 1HB LYS 102 -6.853 -28.578 -22.011 797 HB3 LYS 102 2HB LYS 102 -7.221 -27.508 -20.673 798 HG2 LYS 102 1HG LYS 102 -4.868 -27.695 -19.805 799 HG3 LYS 102 2HG LYS 102 -4.459 -28.854 -21.070 800 HD2 LYS 102 1HD LYS 102 -5.006 -27.138 -22.849 801 HD3 LYS 102 2HD LYS 102 -5.441 -25.965 -21.594 802 HE2 LYS 102 1HE LYS 102 -3.077 -26.083 -20.649 803 HE3 LYS 102 2HE LYS 102 -2.633 -27.274 -21.876 804 HZ1 LYS 102 3HZ LYS 102 -3.192 -25.576 -23.633 805 HZ2 LYS 102 1HZ LYS 102 -3.601 -24.472 -22.495 806 HZ3 LYS 102 2HZ LYS 102 -2.040 -24.967 -22.631 807 H GLN 103 H GLN 103 -8.162 -31.803 -19.765 808 HA GLN 103 HA GLN 103 -5.903 -33.542 -20.646 809 HB2 GLN 103 1HB GLN 103 -7.472 -33.964 -18.709 810 HB3 GLN 103 2HB GLN 103 -8.772 -34.315 -19.847 811 HG2 GLN 103 1HG GLN 103 -7.301 -36.222 -20.812 812 HG3 GLN 103 2HG GLN 103 -6.082 -35.858 -19.607 813 HE21 GLN 103 1HE2 GLN 103 -6.489 -36.561 -17.449 814 HE22 GLN 103 2HE2 GLN 103 -7.945 -37.620 -17.073 815 H PHE 104 H PHE 104 -5.836 -32.571 -22.772 816 HA PHE 104 HA PHE 104 -7.737 -33.656 -24.828 817 HD1 PHE 104 HD2 PHE 104 -5.499 -30.293 -23.590 818 HD2 PHE 104 HD1 PHE 104 -4.258 -32.461 -27.102 819 HE1 PHE 104 HE2 PHE 104 -3.267 -29.272 -23.440 820 HE2 PHE 104 HE1 PHE 104 -2.036 -31.411 -26.953 821 HZ PHE 104 HZ PHE 104 -1.528 -29.822 -25.123 822 HB2 PHE 104 1HB PHE 104 -6.692 -32.306 -26.485 823 HB3 PHE 104 2HB PHE 104 -7.195 -31.396 -25.096 824 H GLY 105 H GLY 105 -4.296 -34.030 -24.402 825 HA2 GLY 105 1HA GLY 105 -4.088 -36.297 -26.404 826 HA3 GLY 105 2HA GLY 105 -2.781 -35.712 -25.401 827 H ARG 106 H ARG 106 -5.799 -37.455 -25.143 828 HA ARG 106 HA ARG 106 -5.108 -38.724 -22.562 829 HE ARG 106 HE ARG 106 -9.502 -38.366 -20.632 830 HB2 ARG 106 1HB ARG 106 -7.351 -37.924 -23.302 831 HB3 ARG 106 2HB ARG 106 -7.464 -39.244 -24.474 832 HG2 ARG 106 1HG ARG 106 -7.354 -40.926 -22.594 833 HG3 ARG 106 2HG ARG 106 -7.171 -39.644 -21.407 834 HD2 ARG 106 1HD ARG 106 -9.649 -39.991 -23.260 835 HD3 ARG 106 2HD ARG 106 -9.501 -40.632 -21.648 836 HH11 ARG 106 2HH2 ARG 106 -9.979 -38.204 -24.083 837 HH12 ARG 106 1HH2 ARG 106 -10.590 -36.484 -23.952 838 HH21 ARG 106 2HH1 ARG 106 -10.150 -36.508 -20.546 839 HH22 ARG 106 1HH1 ARG 106 -10.610 -35.550 -22.035 840 H ASN 107 H ASN 107 -3.190 -39.776 -23.118 841 HA ASN 107 HA ASN 107 -3.219 -42.230 -24.875 842 HB2 ASN 107 1HB ASN 107 -0.988 -40.942 -23.161 843 HB3 ASN 107 2HB ASN 107 -0.780 -42.401 -24.092 844 HD21 ASN 107 1HD2 ASN 107 -1.236 -38.926 -24.424 845 HD22 ASN 107 2HD2 ASN 107 -0.733 -38.970 -26.193 846 H LEU 108 H LEU 108 -4.680 -43.571 -23.856 847 HA LEU 108 HA LEU 108 -3.620 -45.118 -21.467 848 HG LEU 108 HG LEU 108 -4.806 -45.205 -19.275 849 HB2 LEU 108 1HB LEU 108 -5.262 -43.237 -20.804 850 HB3 LEU 108 2HB LEU 108 -6.544 -44.122 -21.610 851 HD11 LEU 108 1HD1 LEU 108 -7.643 -43.962 -19.214 852 HD12 LEU 108 2HD1 LEU 108 -6.782 -44.671 -17.828 853 HD13 LEU 108 3HD1 LEU 108 -6.156 -43.204 -18.594 854 HD21 LEU 108 3HD2 LEU 108 -7.447 -46.310 -20.479 855 HD22 LEU 108 1HD2 LEU 108 -5.869 -47.123 -20.482 856 HD23 LEU 108 2HD2 LEU 108 -6.709 -46.863 -18.957 857 H ALA 109 H ALA 109 -3.343 -47.047 -22.350 858 HA ALA 109 HA ALA 109 -5.414 -48.291 -24.206 859 HB1 ALA 109 3HB ALA 109 -3.595 -49.921 -24.778 860 HB2 ALA 109 1HB ALA 109 -3.176 -48.257 -25.196 861 HB3 ALA 109 2HB ALA 109 -2.441 -49.023 -23.758 862 H ARG 110 H ARG 110 -6.236 -50.056 -23.602 863 HA ARG 110 HA ARG 110 -5.564 -51.714 -21.260 864 HE ARG 110 HE ARG 110 -8.433 -53.155 -17.479 865 HB2 ARG 110 1HB ARG 110 -6.874 -49.773 -20.193 866 HB3 ARG 110 2HB ARG 110 -8.318 -50.324 -21.014 867 HG2 ARG 110 1HG ARG 110 -6.638 -51.969 -18.985 868 HG3 ARG 110 2HG ARG 110 -8.018 -50.953 -18.578 869 HD2 ARG 110 1HD ARG 110 -9.503 -52.388 -20.097 870 HD3 ARG 110 2HD ARG 110 -8.122 -53.478 -20.358 871 HH11 ARG 110 2HH2 ARG 110 -10.136 -54.611 -20.132 872 HH12 ARG 110 1HH2 ARG 110 -10.919 -55.861 -19.049 873 HH21 ARG 110 2HH1 ARG 110 -9.331 -54.580 -16.272 874 HH22 ARG 110 1HH1 ARG 110 -10.464 -55.823 -16.962 875 H ASP 111 H ASP 111 -5.308 -52.786 -23.234 876 HA ASP 111 HA ASP 111 -7.751 -53.499 -24.849 877 HB2 ASP 111 1HB ASP 111 -4.835 -52.774 -25.554 878 HB3 ASP 111 2HB ASP 111 -5.937 -53.454 -26.731 879 H LYS 112 H LYS 112 -7.774 -55.153 -26.123 880 HA LYS 112 HA LYS 112 -5.540 -57.112 -26.319 881 HB2 LYS 112 1HB LYS 112 -7.257 -58.189 -24.762 882 HB3 LYS 112 2HB LYS 112 -8.413 -58.236 -26.076 883 HG2 LYS 112 1HG LYS 112 -5.623 -59.608 -26.118 884 HG3 LYS 112 2HG LYS 112 -7.082 -60.345 -25.476 885 HD2 LYS 112 1HD LYS 112 -8.207 -60.046 -27.772 886 HD3 LYS 112 2HD LYS 112 -6.657 -59.502 -28.417 887 HE2 LYS 112 1HE LYS 112 -5.566 -61.685 -27.775 888 HE3 LYS 112 2HE LYS 112 -7.077 -62.255 -27.050 889 HZ1 LYS 112 3HZ LYS 112 -6.804 -61.468 -29.980 890 HZ2 LYS 112 1HZ LYS 112 -6.863 -63.026 -29.435 891 HZ3 LYS 112 2HZ LYS 112 -8.171 -62.042 -29.280 892 H LYS 113 H LYS 113 -5.404 -55.388 -27.906 893 HA LYS 113 HA LYS 113 -7.361 -55.445 -30.206 894 HB2 LYS 113 1HB LYS 113 -6.404 -53.395 -28.977 895 HB3 LYS 113 2HB LYS 113 -4.888 -53.638 -29.817 896 HG2 LYS 113 1HG LYS 113 -7.649 -53.193 -31.169 897 HG3 LYS 113 2HG LYS 113 -6.585 -51.908 -30.628 898 HD2 LYS 113 1HD LYS 113 -4.738 -52.814 -32.168 899 HD3 LYS 113 2HD LYS 113 -5.899 -53.977 -32.816 900 HE2 LYS 113 1HE LYS 113 -7.437 -52.072 -33.527 901 HE3 LYS 113 2HE LYS 113 -6.305 -50.895 -32.848 902 HZ1 LYS 113 3HZ LYS 113 -5.871 -51.225 -35.284 903 HZ2 LYS 113 1HZ LYS 113 -4.566 -51.740 -34.427 904 HZ3 LYS 113 2HZ LYS 113 -5.606 -52.834 -35.064 905 H LYS 114 H LYS 114 -6.692 -57.659 -30.483 906 HA LYS 114 HA LYS 114 -4.806 -58.062 -32.826 907 HB2 LYS 114 1HB LYS 114 -3.265 -58.037 -30.938 908 HB3 LYS 114 2HB LYS 114 -4.224 -59.168 -30.011 909 HG2 LYS 114 1HG LYS 114 -2.177 -60.152 -30.874 910 HG3 LYS 114 2HG LYS 114 -3.591 -61.049 -31.401 911 HD2 LYS 114 1HD LYS 114 -3.473 -60.160 -33.667 912 HD3 LYS 114 2HD LYS 114 -2.228 -58.977 -33.250 913 HE2 LYS 114 1HE LYS 114 -0.501 -60.649 -32.943 914 HE3 LYS 114 2HE LYS 114 -1.650 -61.966 -32.765 915 HZ1 LYS 114 3HZ LYS 114 -1.321 -60.480 -35.375 916 HZ2 LYS 114 1HZ LYS 114 -0.666 -61.988 -35.081 917 HZ3 LYS 114 2HZ LYS 114 -2.273 -61.822 -35.092 918 H GLN 115 H GLN 115 -6.648 -58.727 -33.877 919 HA GLN 115 HA GLN 115 -8.388 -60.861 -32.899 920 HB2 GLN 115 1HB GLN 115 -9.055 -58.899 -34.321 921 HB3 GLN 115 2HB GLN 115 -8.263 -59.633 -35.715 922 HG2 GLN 115 1HG GLN 115 -9.858 -61.651 -35.486 923 HG3 GLN 115 2HG GLN 115 -10.603 -60.871 -34.102 924 HE21 GLN 115 1HE2 GLN 115 -10.681 -61.076 -37.501 925 HE22 GLN 115 2HE2 GLN 115 -11.883 -59.695 -37.702 926 H ARG 116 H ARG 116 -6.088 -60.941 -35.555 927 HA ARG 116 HA ARG 116 -6.512 -63.929 -35.973 928 HE ARG 116 HE ARG 116 -2.950 -65.517 -40.090 929 HB2 ARG 116 1HB ARG 116 -6.319 -62.340 -37.956 930 HB3 ARG 116 2HB ARG 116 -4.650 -62.019 -37.504 931 HG2 ARG 116 1HG ARG 116 -4.523 -64.784 -37.601 932 HG3 ARG 116 2HG ARG 116 -5.936 -64.596 -38.592 933 HD2 ARG 116 1HD ARG 116 -4.741 -63.917 -40.418 934 HD3 ARG 116 2HD ARG 116 -3.842 -62.692 -39.575 935 HH11 ARG 116 2HH2 ARG 116 -2.402 -62.804 -38.019 936 HH12 ARG 116 1HH2 ARG 116 -0.816 -63.510 -37.383 937 HH21 ARG 116 2HH1 ARG 116 -1.139 -66.301 -39.322 938 HH22 ARG 116 1HH1 ARG 116 -0.260 -65.364 -37.992 939 H GLY 117 H GLY 117 -5.784 -64.264 -33.863 940 HA2 GLY 117 1HA GLY 117 -4.248 -65.474 -32.421 941 HA3 GLY 117 2HA GLY 117 -3.883 -66.238 -33.928 942 H ARG 118 H ARG 118 -1.995 -65.642 -34.972 943 HA ARG 118 HA ARG 118 0.123 -64.068 -33.458 944 HE ARG 118 HE ARG 118 5.053 -64.847 -33.972 945 HB2 ARG 118 1HB ARG 118 0.278 -66.538 -32.827 946 HB3 ARG 118 2HB ARG 118 0.630 -66.941 -34.496 947 HG2 ARG 118 1HG ARG 118 2.334 -65.075 -32.698 948 HG3 ARG 118 2HG ARG 118 2.562 -66.806 -32.857 949 HD2 ARG 118 1HD ARG 118 2.913 -66.401 -35.451 950 HD3 ARG 118 2HD ARG 118 2.915 -64.700 -35.084 951 HH11 ARG 118 2HH2 ARG 118 3.940 -68.041 -34.740 952 HH12 ARG 118 1HH2 ARG 118 5.600 -68.769 -34.483 953 HH21 ARG 118 2HH1 ARG 118 6.919 -65.688 -33.684 954 HH22 ARG 118 1HH1 ARG 118 7.192 -67.472 -33.903 Start of MODEL 19 1 HA MET 1 HA MET 1 11.919 24.818 5.854 2 H1 MET 1 1H MET 1 10.834 24.683 3.525 3 H2 MET 1 2H MET 1 9.816 23.505 4.102 4 H3 MET 1 3H MET 1 9.738 25.026 4.742 5 HB2 MET 1 1HB MET 1 10.078 22.337 6.137 6 HB3 MET 1 2HB MET 1 11.383 22.688 7.246 7 HG2 MET 1 1HG MET 1 10.264 24.901 7.884 8 HG3 MET 1 2HG MET 1 8.890 24.457 6.840 9 HE1 MET 1 3HE MET 1 7.177 24.541 8.821 10 HE2 MET 1 1HE MET 1 7.439 23.726 10.387 11 HE3 MET 1 2HE MET 1 8.508 25.070 9.896 12 H ALA 2 H ALA 2 13.603 23.184 6.528 13 HA ALA 2 HA ALA 2 14.979 22.086 4.102 14 HB1 ALA 2 3HB ALA 2 16.250 23.286 5.860 15 HB2 ALA 2 1HB ALA 2 15.792 22.070 7.082 16 HB3 ALA 2 2HB ALA 2 16.823 21.616 5.714 17 H GLY 3 H GLY 3 13.986 20.319 3.349 18 HA2 GLY 3 1HA GLY 3 12.669 18.244 4.958 19 HA3 GLY 3 2HA GLY 3 12.920 18.182 3.235 20 H SER 4 H SER 4 14.642 17.702 6.249 21 HA SER 4 HA SER 4 15.046 14.847 5.610 22 HG SER 4 HG SER 4 16.228 15.889 3.622 23 HB2 SER 4 1HB SER 4 17.623 16.545 5.525 24 HB3 SER 4 2HB SER 4 17.620 14.807 5.846 25 H GLY 5 H GLY 5 13.958 14.658 7.538 26 HA2 GLY 5 1HA GLY 5 15.706 14.923 10.061 27 HA3 GLY 5 2HA GLY 5 14.040 15.484 10.043 28 H ILE 6 H ILE 6 12.385 13.843 9.795 29 HA ILE 6 HA ILE 6 13.057 11.317 11.262 30 HB ILE 6 HB ILE 6 11.258 12.507 12.117 31 HG12 ILE 6 1HG1 ILE 6 9.457 10.733 12.174 32 HG13 ILE 6 2HG1 ILE 6 10.290 9.833 10.919 33 HG21 ILE 6 1HG2 ILE 6 9.064 12.816 11.064 34 HG22 ILE 6 2HG2 ILE 6 10.335 13.608 10.113 35 HG23 ILE 6 3HG2 ILE 6 9.623 12.090 9.540 36 HD11 ILE 6 3HD1 ILE 6 12.256 9.465 12.452 37 HD12 ILE 6 1HD1 ILE 6 11.537 10.546 13.674 38 HD13 ILE 6 2HD1 ILE 6 10.751 9.010 13.269 39 H ILE 7 H ILE 7 14.244 10.287 9.915 40 HA ILE 7 HA ILE 7 13.160 9.248 7.283 41 HB ILE 7 HB ILE 7 14.953 10.876 7.351 42 HG12 ILE 7 1HG1 ILE 7 14.628 9.610 5.361 43 HG13 ILE 7 2HG1 ILE 7 16.303 10.036 5.600 44 HG21 ILE 7 1HG2 ILE 7 17.300 10.363 7.826 45 HG22 ILE 7 2HG2 ILE 7 16.337 10.226 9.302 46 HG23 ILE 7 3HG2 ILE 7 16.893 8.761 8.474 47 HD11 ILE 7 3HD1 ILE 7 16.762 7.611 6.399 48 HD12 ILE 7 1HD1 ILE 7 15.095 7.214 5.937 49 HD13 ILE 7 2HD1 ILE 7 16.261 7.775 4.712 50 H TYR 8 H TYR 8 12.010 7.576 8.325 51 HA TYR 8 HA TYR 8 13.676 5.047 8.760 52 HD1 TYR 8 HD2 TYR 8 12.914 3.180 10.816 53 HD2 TYR 8 HD1 TYR 8 10.534 6.768 10.991 54 HE1 TYR 8 HE2 TYR 8 13.031 3.148 13.275 55 HE2 TYR 8 HE1 TYR 8 10.636 6.704 13.446 56 HH TYR 8 HH TYR 8 11.484 5.669 15.236 57 HB2 TYR 8 1HB TYR 8 10.636 5.474 8.924 58 HB3 TYR 8 2HB TYR 8 11.354 3.900 8.916 59 H LYS 9 H LYS 9 14.251 3.943 7.036 60 HA LYS 9 HA LYS 9 12.273 3.516 4.719 61 HB2 LYS 9 1HB LYS 9 15.304 4.040 4.455 62 HB3 LYS 9 2HB LYS 9 14.346 3.300 3.175 63 HG2 LYS 9 1HG LYS 9 12.853 5.288 3.006 64 HG3 LYS 9 2HG LYS 9 13.625 6.037 4.400 65 HD2 LYS 9 1HD LYS 9 15.862 6.001 3.104 66 HD3 LYS 9 2HD LYS 9 14.969 5.475 1.671 67 HE2 LYS 9 1HE LYS 9 13.527 7.554 1.758 68 HE3 LYS 9 2HE LYS 9 14.266 8.042 3.282 69 HZ1 LYS 9 3HZ LYS 9 15.527 8.060 0.562 70 HZ2 LYS 9 1HZ LYS 9 15.558 9.237 1.754 71 HZ3 LYS 9 2HZ LYS 9 16.508 7.898 1.880 72 H GLN 10 H GLN 10 11.715 1.471 4.734 73 HA GLN 10 HA GLN 10 13.363 -0.461 6.452 74 HB2 GLN 10 1HB GLN 10 10.320 -0.188 6.199 75 HB3 GLN 10 2HB GLN 10 11.172 -1.310 7.242 76 HG2 GLN 10 1HG GLN 10 11.261 1.779 7.493 77 HG3 GLN 10 2HG GLN 10 10.227 0.702 8.379 78 HE21 GLN 10 1HE2 GLN 10 13.713 1.349 7.879 79 HE22 GLN 10 2HE2 GLN 10 14.098 0.874 9.613 80 HA PRO 11 HA PRO 11 12.844 -2.747 2.448 81 HB2 PRO 11 1HB PRO 11 15.284 -3.967 2.232 82 HB3 PRO 11 2HB PRO 11 15.055 -2.211 2.071 83 HG2 PRO 11 1HG PRO 11 15.926 -3.741 4.605 84 HG3 PRO 11 2HG PRO 11 16.770 -2.365 3.842 85 HD2 PRO 11 1HD PRO 11 14.987 -2.021 5.954 86 HD3 PRO 11 2HD PRO 11 15.127 -0.787 4.667 87 H ILE 12 H ILE 12 11.168 -3.779 3.786 88 HA ILE 12 HA ILE 12 11.673 -6.802 3.807 89 HB ILE 12 HB ILE 12 11.660 -5.874 6.062 90 HG12 ILE 12 1HG1 ILE 12 11.355 -8.185 5.818 91 HG13 ILE 12 2HG1 ILE 12 10.392 -7.589 7.145 92 HG21 ILE 12 1HG2 ILE 12 9.659 -5.250 7.289 93 HG22 ILE 12 2HG2 ILE 12 9.893 -4.109 5.949 94 HG23 ILE 12 3HG2 ILE 12 8.632 -5.357 5.839 95 HD11 ILE 12 3HD1 ILE 12 9.343 -8.571 4.414 96 HD12 ILE 12 1HD1 ILE 12 9.070 -9.266 6.020 97 HD13 ILE 12 2HD1 ILE 12 8.306 -7.721 5.571 98 H TYR 13 H TYR 13 11.059 -6.780 1.700 99 HA TYR 13 HA TYR 13 8.244 -5.844 0.997 100 HD1 TYR 13 HD1 TYR 13 8.961 -3.637 1.618 101 HD2 TYR 13 HD2 TYR 13 11.875 -4.042 -1.541 102 HE1 TYR 13 HE1 TYR 13 9.809 -1.382 2.086 103 HE2 TYR 13 HE2 TYR 13 12.692 -1.791 -1.064 104 HH TYR 13 HH TYR 13 12.514 -0.003 0.255 105 HB2 TYR 13 1HB TYR 13 10.729 -6.018 -0.801 106 HB3 TYR 13 2HB TYR 13 9.188 -5.326 -1.245 107 H GLN 14 H GLN 14 7.652 -8.126 1.674 108 HA GLN 14 HA GLN 14 7.399 -9.834 -0.761 109 HB2 GLN 14 1HB GLN 14 6.062 -11.317 0.433 110 HB3 GLN 14 2HB GLN 14 7.434 -10.858 1.420 111 HG2 GLN 14 1HG GLN 14 4.628 -9.627 1.881 112 HG3 GLN 14 2HG GLN 14 5.072 -11.180 2.479 113 HE21 GLN 14 1HE2 GLN 14 6.418 -11.337 4.233 114 HE22 GLN 14 2HE2 GLN 14 6.993 -9.841 5.164 115 H GLY 15 H GLY 15 5.363 -7.455 0.781 116 HA2 GLY 15 1HA GLY 15 3.130 -7.489 -1.235 117 HA3 GLY 15 2HA GLY 15 3.451 -6.215 -0.080 118 H ASN 16 H ASN 16 3.979 -7.275 -3.189 119 HA ASN 16 HA ASN 16 6.057 -5.794 -4.312 120 HB2 ASN 16 1HB ASN 16 4.587 -7.489 -5.383 121 HB3 ASN 16 2HB ASN 16 3.272 -6.331 -5.520 122 HD21 ASN 16 1HD2 ASN 16 3.723 -7.585 -7.620 123 HD22 ASN 16 2HD2 ASN 16 4.711 -6.591 -8.830 124 H LEU 17 H LEU 17 2.771 -4.413 -4.195 125 HA LEU 17 HA LEU 17 3.939 -1.635 -4.791 126 HG LEU 17 HG LEU 17 3.129 -3.246 -7.097 127 HB2 LEU 17 1HB LEU 17 1.240 -2.922 -5.390 128 HB3 LEU 17 2HB LEU 17 1.455 -1.202 -5.496 129 HD11 LEU 17 1HD1 LEU 17 1.628 -2.696 -9.013 130 HD12 LEU 17 2HD1 LEU 17 0.696 -3.383 -7.672 131 HD13 LEU 17 3HD1 LEU 17 0.639 -1.633 -7.983 132 HD21 LEU 17 3HD2 LEU 17 3.697 -1.306 -8.569 133 HD22 LEU 17 1HD2 LEU 17 2.807 -0.187 -7.516 134 HD23 LEU 17 2HD2 LEU 17 4.272 -0.999 -6.930 135 H ILE 18 H ILE 18 0.800 -2.501 -3.020 136 HA ILE 18 HA ILE 18 1.674 -0.669 -0.816 137 HB ILE 18 HB ILE 18 -0.738 -2.552 -1.101 138 HG12 ILE 18 1HG1 ILE 18 -1.082 -0.782 -2.627 139 HG13 ILE 18 2HG1 ILE 18 -2.095 -0.479 -1.256 140 HG21 ILE 18 1HG2 ILE 18 -0.325 -2.264 1.337 141 HG22 ILE 18 2HG2 ILE 18 -0.201 -0.497 1.166 142 HG23 ILE 18 3HG2 ILE 18 -1.743 -1.320 0.860 143 HD11 ILE 18 3HD1 ILE 18 0.438 1.013 -2.130 144 HD12 ILE 18 1HD1 ILE 18 -1.201 1.652 -1.858 145 HD13 ILE 18 2HD1 ILE 18 -0.162 1.241 -0.477 146 H LYS 19 H LYS 19 2.257 -1.261 1.159 147 HA LYS 19 HA LYS 19 3.251 -4.056 1.797 148 HB2 LYS 19 1HB LYS 19 5.654 -3.284 1.926 149 HB3 LYS 19 2HB LYS 19 4.943 -3.491 0.341 150 HG2 LYS 19 1HG LYS 19 4.660 -0.953 0.122 151 HG3 LYS 19 2HG LYS 19 5.402 -0.758 1.696 152 HD2 LYS 19 1HD LYS 19 7.039 -0.279 0.010 153 HD3 LYS 19 2HD LYS 19 7.515 -1.674 0.936 154 HE2 LYS 19 1HE LYS 19 8.124 -2.098 -1.348 155 HE3 LYS 19 2HE LYS 19 6.833 -3.216 -0.959 156 HZ1 LYS 19 3HZ LYS 19 6.598 -0.695 -2.635 157 HZ2 LYS 19 1HZ LYS 19 6.236 -2.254 -3.101 158 HZ3 LYS 19 2HZ LYS 19 5.252 -1.455 -2.077 159 H GLN 20 H GLN 20 1.685 -3.635 3.449 160 HA GLN 20 HA GLN 20 1.453 -1.275 4.801 161 HB2 GLN 20 1HB GLN 20 -0.226 -3.096 4.652 162 HB3 GLN 20 2HB GLN 20 0.583 -3.990 5.925 163 HG2 GLN 20 1HG GLN 20 -1.370 -2.862 6.814 164 HG3 GLN 20 2HG GLN 20 0.037 -2.203 7.599 165 HE21 GLN 20 1HE2 GLN 20 0.694 -0.007 6.945 166 HE22 GLN 20 2HE2 GLN 20 -0.577 1.069 6.140 167 H ASN 21 H ASN 21 3.427 -3.828 6.332 168 HA ASN 21 HA ASN 21 4.069 -2.238 8.750 169 HB2 ASN 21 1HB ASN 21 4.470 -4.667 8.630 170 HB3 ASN 21 2HB ASN 21 5.629 -4.498 7.330 171 HD21 ASN 21 1HD2 ASN 21 7.768 -4.004 7.914 172 HD22 ASN 21 2HD2 ASN 21 8.256 -3.808 9.676 173 H ALA 22 H ALA 22 5.701 -2.354 5.598 174 HA ALA 22 HA ALA 22 7.763 -0.307 6.296 175 HB1 ALA 22 3HB ALA 22 6.818 -1.331 3.542 176 HB2 ALA 22 1HB ALA 22 8.220 -0.277 3.832 177 HB3 ALA 22 2HB ALA 22 8.209 -1.924 4.480 178 H VAL 23 H VAL 23 4.529 -0.099 4.670 179 HA VAL 23 HA VAL 23 4.771 2.838 4.330 180 HB VAL 23 HB VAL 23 2.120 1.311 4.289 181 HG11 VAL 23 1HG1 VAL 23 1.575 3.355 2.665 182 HG12 VAL 23 2HG1 VAL 23 1.749 3.782 4.389 183 HG13 VAL 23 3HG1 VAL 23 3.060 4.092 3.238 184 HG21 VAL 23 3HG2 VAL 23 2.313 1.231 1.821 185 HG22 VAL 23 1HG2 VAL 23 3.956 1.941 1.874 186 HG23 VAL 23 2HG2 VAL 23 3.640 0.330 2.538 187 H GLU 24 H GLU 24 3.311 0.900 6.946 188 HA GLU 24 HA GLU 24 2.441 3.230 8.539 189 HB2 GLU 24 1HB GLU 24 1.673 0.832 8.819 190 HB3 GLU 24 2HB GLU 24 3.254 0.383 9.429 191 HG2 GLU 24 1HG GLU 24 1.280 2.368 10.732 192 HG3 GLU 24 2HG GLU 24 1.451 0.686 11.135 193 H GLN 25 H GLN 25 5.440 1.275 8.646 194 HA GLN 25 HA GLN 25 6.631 2.967 10.752 195 HB2 GLN 25 1HB GLN 25 6.968 0.469 10.370 196 HB3 GLN 25 2HB GLN 25 7.980 0.841 8.990 197 HG2 GLN 25 1HG GLN 25 9.402 0.344 10.845 198 HG3 GLN 25 2HG GLN 25 9.613 2.051 10.541 199 HE21 GLN 25 1HE2 GLN 25 9.695 3.164 12.439 200 HE22 GLN 25 2HE2 GLN 25 8.869 2.613 13.986 201 H LEU 26 H LEU 26 6.995 3.138 7.202 202 HA LEU 26 HA LEU 26 9.449 4.477 7.074 203 HG LEU 26 HG LEU 26 6.077 4.520 5.319 204 HB2 LEU 26 1HB LEU 26 9.060 5.170 4.867 205 HB3 LEU 26 2HB LEU 26 8.516 3.554 5.190 206 HD11 LEU 26 1HD1 LEU 26 7.367 6.774 3.633 207 HD12 LEU 26 2HD1 LEU 26 5.633 6.517 3.945 208 HD13 LEU 26 3HD1 LEU 26 6.698 7.020 5.246 209 HD21 LEU 26 3HD2 LEU 26 7.647 4.458 2.642 210 HD22 LEU 26 1HD2 LEU 26 6.898 3.055 3.447 211 HD23 LEU 26 2HD2 LEU 26 5.879 4.340 2.808 212 H GLN 27 H GLN 27 6.590 6.141 8.039 213 HA GLN 27 HA GLN 27 6.155 8.523 8.434 214 HB2 GLN 27 1HB GLN 27 8.234 7.157 10.180 215 HB3 GLN 27 2HB GLN 27 7.463 8.665 10.657 216 HG2 GLN 27 1HG GLN 27 5.201 7.662 10.557 217 HG3 GLN 27 2HG GLN 27 5.820 6.159 9.917 218 HE21 GLN 27 1HE2 GLN 27 7.744 5.283 11.470 219 HE22 GLN 27 2HE2 GLN 27 7.080 5.128 13.184 220 H VAL 28 H VAL 28 7.474 8.908 6.259 221 HA VAL 28 HA VAL 28 10.092 10.030 6.570 222 HB VAL 28 HB VAL 28 8.331 9.858 4.059 223 HG11 VAL 28 1HG1 VAL 28 10.079 11.581 3.621 224 HG12 VAL 28 2HG1 VAL 28 11.341 10.549 4.327 225 HG13 VAL 28 3HG1 VAL 28 10.543 10.096 2.781 226 HG21 VAL 28 3HG2 VAL 28 9.866 7.928 3.497 227 HG22 VAL 28 1HG2 VAL 28 10.710 8.113 5.059 228 HG23 VAL 28 2HG2 VAL 28 9.019 7.617 5.005 229 H GLY 29 H GLY 29 10.626 11.890 7.184 230 HA2 GLY 29 1HA GLY 29 9.226 14.515 6.307 231 HA3 GLY 29 2HA GLY 29 10.315 14.406 7.672 232 H GLN 30 H GLN 30 10.440 13.318 4.358 233 HA GLN 30 HA GLN 30 12.880 15.024 3.761 234 HB2 GLN 30 1HB GLN 30 13.520 12.759 4.648 235 HB3 GLN 30 2HB GLN 30 12.746 11.980 3.276 236 HG2 GLN 30 1HG GLN 30 14.289 13.070 1.665 237 HG3 GLN 30 2HG GLN 30 14.992 14.065 2.910 238 HE21 GLN 30 1HE2 GLN 30 16.808 13.274 3.837 239 HE22 GLN 30 2HE2 GLN 30 17.372 11.535 3.657 240 H SER 31 H SER 31 10.725 12.670 2.015 241 HA SER 31 HA SER 31 10.796 14.510 -0.391 242 HG SER 31 HG SER 31 11.868 13.847 -2.431 243 HB2 SER 31 1HB SER 31 13.027 13.466 -0.397 244 HB3 SER 31 2HB SER 31 12.326 11.843 -0.352 245 H LYS 32 H LYS 32 9.027 14.396 -1.404 246 HA LYS 32 HA LYS 32 7.027 12.367 -1.528 247 HB2 LYS 32 1HB LYS 32 6.034 13.523 -3.380 248 HB3 LYS 32 2HB LYS 32 6.614 14.654 -2.171 249 HG2 LYS 32 1HG LYS 32 8.613 15.194 -3.608 250 HG3 LYS 32 2HG LYS 32 8.030 14.111 -4.866 251 HD2 LYS 32 1HD LYS 32 5.953 15.405 -5.166 252 HD3 LYS 32 2HD LYS 32 6.326 16.471 -3.829 253 HE2 LYS 32 1HE LYS 32 8.093 16.195 -6.380 254 HE3 LYS 32 2HE LYS 32 6.819 17.390 -6.181 255 HZ1 LYS 32 3HZ LYS 32 8.763 18.564 -5.334 256 HZ2 LYS 32 1HZ LYS 32 8.126 17.960 -3.947 257 HZ3 LYS 32 2HZ LYS 32 9.422 17.179 -4.656 258 H GLN 33 H GLN 33 9.662 12.763 -3.803 259 HA GLN 33 HA GLN 33 8.895 10.468 -5.535 260 HB2 GLN 33 1HB GLN 33 10.964 10.875 -6.755 261 HB3 GLN 33 2HB GLN 33 9.992 12.312 -6.531 262 HG2 GLN 33 1HG GLN 33 11.622 12.927 -4.534 263 HG3 GLN 33 2HG GLN 33 12.639 11.620 -5.095 264 HE21 GLN 33 1HE2 GLN 33 11.802 14.921 -5.533 265 HE22 GLN 33 2HE2 GLN 33 12.839 15.118 -7.041 266 H GLN 34 H GLN 34 10.722 10.579 -2.590 267 HA GLN 34 HA GLN 34 11.802 7.783 -2.928 268 HB2 GLN 34 1HB GLN 34 11.517 9.522 -0.400 269 HB3 GLN 34 2HB GLN 34 12.226 7.917 -0.417 270 HG2 GLN 34 1HG GLN 34 13.348 10.305 -2.046 271 HG3 GLN 34 2HG GLN 34 13.844 9.890 -0.433 272 HE21 GLN 34 1HE2 GLN 34 14.055 8.902 -3.778 273 HE22 GLN 34 2HE2 GLN 34 15.409 7.698 -3.454 274 H VAL 35 H VAL 35 9.023 9.153 -1.024 275 HA VAL 35 HA VAL 35 8.015 6.447 -0.344 276 HB VAL 35 HB VAL 35 7.582 8.485 1.032 277 HG11 VAL 35 1HG1 VAL 35 6.831 10.129 -0.746 278 HG12 VAL 35 2HG1 VAL 35 5.353 9.197 -0.997 279 HG13 VAL 35 3HG1 VAL 35 5.661 9.967 0.571 280 HG21 VAL 35 3HG2 VAL 35 6.297 6.354 1.358 281 HG22 VAL 35 1HG2 VAL 35 5.343 7.793 1.779 282 HG23 VAL 35 2HG2 VAL 35 5.035 6.936 0.254 283 H SER 36 H SER 36 7.188 8.696 -2.946 284 HA SER 36 HA SER 36 5.096 6.959 -4.134 285 HG SER 36 HG SER 36 4.984 8.226 -6.786 286 HB2 SER 36 1HB SER 36 5.489 9.567 -4.318 287 HB3 SER 36 2HB SER 36 6.680 9.206 -5.566 288 H ALA 37 H ALA 37 8.612 7.132 -4.760 289 HA ALA 37 HA ALA 37 8.506 5.057 -6.901 290 HB1 ALA 37 3HB ALA 37 10.988 4.906 -6.509 291 HB2 ALA 37 1HB ALA 37 10.471 6.594 -6.663 292 HB3 ALA 37 2HB ALA 37 10.839 5.926 -5.058 293 H LEU 38 H LEU 38 9.044 4.852 -3.352 294 HA LEU 38 HA LEU 38 9.316 1.907 -3.303 295 HG LEU 38 HG LEU 38 10.638 1.573 -1.199 296 HB2 LEU 38 1HB LEU 38 8.791 4.058 -1.183 297 HB3 LEU 38 2HB LEU 38 8.363 2.420 -0.770 298 HD11 LEU 38 1HD1 LEU 38 11.521 3.318 -2.828 299 HD12 LEU 38 2HD1 LEU 38 11.485 4.537 -1.540 300 HD13 LEU 38 3HD1 LEU 38 12.568 3.136 -1.414 301 HD21 LEU 38 3HD2 LEU 38 11.622 2.622 0.870 302 HD22 LEU 38 1HD2 LEU 38 10.433 3.944 0.786 303 HD23 LEU 38 2HD2 LEU 38 9.903 2.269 1.087 304 H LEU 39 H LEU 39 6.391 3.894 -2.789 305 HA LEU 39 HA LEU 39 4.526 1.574 -2.815 306 HG LEU 39 HG LEU 39 4.603 3.575 -0.887 307 HB2 LEU 39 1HB LEU 39 4.271 4.601 -3.313 308 HB3 LEU 39 2HB LEU 39 2.868 3.566 -3.442 309 HD11 LEU 39 1HD1 LEU 39 3.732 5.912 -1.285 310 HD12 LEU 39 2HD1 LEU 39 2.067 5.262 -1.391 311 HD13 LEU 39 3HD1 LEU 39 2.972 5.117 0.117 312 HD21 LEU 39 3HD2 LEU 39 1.664 2.751 -1.443 313 HD22 LEU 39 1HD2 LEU 39 2.993 1.610 -1.114 314 HD23 LEU 39 2HD2 LEU 39 2.434 2.730 0.145 315 H GLY 40 H GLY 40 5.800 3.584 -5.414 316 HA2 GLY 40 1HA GLY 40 6.085 2.710 -7.722 317 HA3 GLY 40 2HA GLY 40 4.777 1.575 -7.485 318 H THR 41 H THR 41 5.297 5.097 -7.515 319 HA THR 41 HA THR 41 3.224 5.562 -9.661 320 HB THR 41 HB THR 41 2.800 6.468 -6.730 321 HG1 THR 41 HG1 THR 41 2.146 4.333 -7.951 322 HG21 THR 41 3HG2 THR 41 1.052 7.160 -9.191 323 HG22 THR 41 1HG2 THR 41 0.601 7.397 -7.497 324 HG23 THR 41 2HG2 THR 41 1.932 8.333 -8.178 325 HA PRO 42 HA PRO 42 5.780 9.506 -9.685 326 HB2 PRO 42 1HB PRO 42 4.733 10.739 -11.909 327 HB3 PRO 42 2HB PRO 42 5.745 9.279 -12.017 328 HG2 PRO 42 1HG PRO 42 2.668 9.418 -12.027 329 HG3 PRO 42 2HG PRO 42 3.703 8.601 -13.233 330 HD2 PRO 42 1HD PRO 42 2.550 7.242 -11.075 331 HD3 PRO 42 2HD PRO 42 4.152 6.761 -11.719 332 H SER 43 H SER 43 5.385 11.181 -8.348 333 HA SER 43 HA SER 43 2.574 11.981 -7.560 334 HG SER 43 HG SER 43 4.228 10.534 -5.951 335 HB2 SER 43 1HB SER 43 5.330 12.632 -6.355 336 HB3 SER 43 2HB SER 43 3.827 13.354 -5.785 337 H ILE 44 H ILE 44 3.887 14.830 -7.039 338 HA ILE 44 HA ILE 44 3.066 15.924 -9.787 339 HB ILE 44 HB ILE 44 2.051 17.123 -7.144 340 HG12 ILE 44 1HG1 ILE 44 0.490 15.573 -9.333 341 HG13 ILE 44 2HG1 ILE 44 0.875 14.951 -7.737 342 HG21 ILE 44 1HG2 ILE 44 2.501 18.801 -9.033 343 HG22 ILE 44 2HG2 ILE 44 1.433 17.871 -10.105 344 HG23 ILE 44 3HG2 ILE 44 0.799 18.690 -8.654 345 HD11 ILE 44 3HD1 ILE 44 -0.999 17.319 -8.304 346 HD12 ILE 44 1HD1 ILE 44 -1.402 15.732 -7.608 347 HD13 ILE 44 2HD1 ILE 44 -0.421 16.893 -6.678 348 HA PRO 45 HA PRO 45 6.982 18.087 -8.425 349 HB2 PRO 45 1HB PRO 45 8.400 18.006 -10.771 350 HB3 PRO 45 2HB PRO 45 8.137 16.572 -9.754 351 HG2 PRO 45 1HG PRO 45 6.498 17.415 -12.229 352 HG3 PRO 45 2HG PRO 45 7.283 15.835 -11.952 353 HD2 PRO 45 1HD PRO 45 4.596 16.273 -11.338 354 HD3 PRO 45 2HD PRO 45 5.587 15.184 -10.330 355 H ASP 46 H ASP 46 5.187 19.742 -8.210 356 HA ASP 46 HA ASP 46 5.467 22.065 -10.117 357 HB2 ASP 46 1HB ASP 46 4.259 22.465 -7.386 358 HB3 ASP 46 2HB ASP 46 4.057 23.372 -8.839 359 HA PRO 47 HA PRO 47 9.308 23.033 -7.715 360 HB2 PRO 47 1HB PRO 47 10.313 25.134 -9.262 361 HB3 PRO 47 2HB PRO 47 10.365 23.422 -9.727 362 HG2 PRO 47 1HG PRO 47 8.239 25.494 -10.555 363 HG3 PRO 47 2HG PRO 47 9.187 24.434 -11.631 364 HD2 PRO 47 1HD PRO 47 6.639 23.730 -10.830 365 HD3 PRO 47 2HD PRO 47 7.894 22.460 -10.960 366 H PHE 48 H PHE 48 6.644 25.133 -7.936 367 HA PHE 48 HA PHE 48 7.760 27.036 -5.808 368 HD1 PHE 48 HD1 PHE 48 7.432 29.812 -6.363 369 HD2 PHE 48 HD2 PHE 48 3.659 27.968 -5.391 370 HE1 PHE 48 HE1 PHE 48 6.848 31.735 -4.941 371 HE2 PHE 48 HE2 PHE 48 3.091 29.897 -3.973 372 HZ PHE 48 HZ PHE 48 4.680 31.785 -3.741 373 HB2 PHE 48 1HB PHE 48 6.470 27.903 -7.778 374 HB3 PHE 48 2HB PHE 48 5.038 27.059 -7.261 375 H HIS 49 H HIS 49 4.585 25.402 -5.953 376 HA HIS 49 HA HIS 49 5.143 24.075 -3.240 377 HD1 HIS 49 HD1 HIS 49 3.694 23.440 -0.945 378 HD2 HIS 49 HD2 HIS 49 0.656 23.929 -3.829 379 HE1 HIS 49 HE1 HIS 49 1.728 22.004 -0.328 380 HB2 HIS 49 1HB HIS 49 3.701 25.913 -2.690 381 HB3 HIS 49 2HB HIS 49 2.635 25.640 -4.063 382 H ALA 50 H ALA 50 5.726 22.193 -4.407 383 HA ALA 50 HA ALA 50 4.017 20.712 -6.153 384 HB1 ALA 50 3HB ALA 50 6.037 19.668 -4.118 385 HB2 ALA 50 1HB ALA 50 5.227 18.683 -5.334 386 HB3 ALA 50 2HB ALA 50 6.268 20.031 -5.847 387 H GLN 51 H GLN 51 2.059 20.333 -5.876 388 HA GLN 51 HA GLN 51 0.637 20.288 -3.325 389 HB2 GLN 51 1HB GLN 51 -0.249 19.532 -6.173 390 HB3 GLN 51 2HB GLN 51 -1.395 19.734 -4.875 391 HG2 GLN 51 1HG GLN 51 -1.090 22.063 -4.629 392 HG3 GLN 51 2HG GLN 51 0.476 22.093 -5.395 393 HE21 GLN 51 1HE2 GLN 51 0.599 22.170 -7.643 394 HE22 GLN 51 2HE2 GLN 51 -0.890 22.665 -8.601 395 H ARG 52 H ARG 52 -1.202 18.653 -3.037 396 HA ARG 52 HA ARG 52 0.015 16.236 -1.968 397 HE ARG 52 HE ARG 52 -4.658 18.925 -1.510 398 HB2 ARG 52 1HB ARG 52 -2.040 15.796 -0.935 399 HB3 ARG 52 2HB ARG 52 -2.036 17.502 -1.077 400 HG2 ARG 52 1HG ARG 52 -3.484 16.967 -3.364 401 HG3 ARG 52 2HG ARG 52 -3.518 15.362 -2.677 402 HD2 ARG 52 1HD ARG 52 -5.502 15.989 -1.812 403 HD3 ARG 52 2HD ARG 52 -4.545 16.572 -0.506 404 HH11 ARG 52 2HH2 ARG 52 -6.912 16.588 -3.116 405 HH12 ARG 52 1HH2 ARG 52 -7.408 18.011 -4.167 406 HH21 ARG 52 2HH1 ARG 52 -5.489 20.351 -2.809 407 HH22 ARG 52 1HH1 ARG 52 -6.751 19.801 -4.025 408 H TRP 53 H TRP 53 -0.317 14.130 -2.573 409 HA TRP 53 HA TRP 53 -0.903 13.473 -5.539 410 HD1 TRP 53 HD1 TRP 53 -1.882 10.397 -5.751 411 HE1 TRP 53 HE1 TRP 53 -1.527 7.801 -5.658 412 HE3 TRP 53 HE3 TRP 53 2.601 10.491 -3.285 413 HZ2 TRP 53 HZ2 TRP 53 0.588 6.143 -4.711 414 HZ3 TRP 53 HZ3 TRP 53 3.692 8.335 -2.729 415 HH2 TRP 53 HH2 TRP 53 2.718 6.210 -3.487 416 HB2 TRP 53 1HB TRP 53 1.097 12.474 -5.038 417 HB3 TRP 53 2HB TRP 53 0.692 12.121 -3.377 418 H ASP 54 H ASP 54 -3.068 13.494 -5.704 419 HA ASP 54 HA ASP 54 -4.796 12.029 -3.619 420 HB2 ASP 54 1HB ASP 54 -4.838 14.667 -4.171 421 HB3 ASP 54 2HB ASP 54 -5.785 14.205 -5.544 422 H TYR 55 H TYR 55 -4.013 10.136 -5.227 423 HA TYR 55 HA TYR 55 -5.665 10.043 -7.813 424 HD1 TYR 55 HD1 TYR 55 -3.667 11.842 -7.913 425 HD2 TYR 55 HD2 TYR 55 -1.560 8.212 -8.935 426 HE1 TYR 55 HE1 TYR 55 -1.729 13.147 -8.623 427 HE2 TYR 55 HE2 TYR 55 0.324 9.540 -9.712 428 HH TYR 55 HH TYR 55 1.295 11.554 -9.673 429 HB2 TYR 55 1HB TYR 55 -3.277 8.305 -7.008 430 HB3 TYR 55 2HB TYR 55 -4.122 8.257 -8.536 431 H THR 56 H THR 56 -7.603 9.392 -6.718 432 HA THR 56 HA THR 56 -7.738 6.601 -5.660 433 HB THR 56 HB THR 56 -9.828 8.756 -5.785 434 HG1 THR 56 HG1 THR 56 -8.709 9.138 -4.076 435 HG21 THR 56 3HG2 THR 56 -11.208 7.404 -4.365 436 HG22 THR 56 1HG2 THR 56 -10.945 6.411 -5.820 437 HG23 THR 56 2HG2 THR 56 -10.057 6.059 -4.338 438 H SER 57 H SER 57 -7.784 4.937 -6.968 439 HA SER 57 HA SER 57 -9.928 4.622 -9.115 440 HG SER 57 HG SER 57 -6.066 3.783 -10.142 441 HB2 SER 57 1HB SER 57 -8.305 3.848 -10.676 442 HB3 SER 57 2HB SER 57 -7.691 5.382 -10.051 443 H THR 58 H THR 58 -9.056 2.111 -9.820 444 HA THR 58 HA THR 58 -8.707 0.431 -7.389 445 HB THR 58 HB THR 58 -11.106 0.465 -7.338 446 HG1 THR 58 HG1 THR 58 -9.897 -1.965 -8.107 447 HG21 THR 58 3HG2 THR 58 -11.134 -1.004 -10.070 448 HG22 THR 58 1HG2 THR 58 -12.527 -0.728 -8.993 449 HG23 THR 58 2HG2 THR 58 -11.726 0.640 -9.789 450 H GLN 59 H GLN 59 -7.658 -1.449 -7.681 451 HA GLN 59 HA GLN 59 -7.210 -2.601 -10.432 452 HB2 GLN 59 1HB GLN 59 -5.562 -0.782 -10.283 453 HB3 GLN 59 2HB GLN 59 -4.965 -1.340 -8.737 454 HG2 GLN 59 1HG GLN 59 -3.354 -1.887 -10.419 455 HG3 GLN 59 2HG GLN 59 -3.983 -3.371 -9.766 456 HE21 GLN 59 1HE2 GLN 59 -3.619 -1.512 -12.658 457 HE22 GLN 59 2HE2 GLN 59 -4.422 -2.776 -13.730 458 H ARG 60 H ARG 60 -6.255 -4.669 -10.404 459 HA ARG 60 HA ARG 60 -6.118 -6.161 -7.764 460 HE ARG 60 HE ARG 60 -11.462 -7.174 -6.466 461 HB2 ARG 60 1HB ARG 60 -8.118 -6.841 -10.018 462 HB3 ARG 60 2HB ARG 60 -7.605 -8.028 -8.827 463 HG2 ARG 60 1HG ARG 60 -8.520 -6.774 -6.949 464 HG3 ARG 60 2HG ARG 60 -8.860 -5.362 -7.936 465 HD2 ARG 60 1HD ARG 60 -10.554 -6.762 -9.302 466 HD3 ARG 60 2HD ARG 60 -10.192 -8.129 -8.269 467 HH11 ARG 60 2HH2 ARG 60 -11.008 -4.735 -8.887 468 HH12 ARG 60 1HH2 ARG 60 -12.125 -3.561 -8.029 469 HH21 ARG 60 2HH1 ARG 60 -12.746 -5.848 -5.532 470 HH22 ARG 60 1HH1 ARG 60 -13.065 -4.200 -6.229 471 H VAL 61 H VAL 61 -3.921 -6.202 -8.340 472 HA VAL 61 HA VAL 61 -3.125 -7.715 -10.784 473 HB VAL 61 HB VAL 61 -2.878 -5.281 -10.612 474 HG11 VAL 61 1HG1 VAL 61 -0.489 -5.728 -8.699 475 HG12 VAL 61 2HG1 VAL 61 -1.008 -4.201 -9.445 476 HG13 VAL 61 3HG1 VAL 61 -2.038 -4.992 -8.240 477 HG21 VAL 61 3HG2 VAL 61 -0.698 -5.172 -11.758 478 HG22 VAL 61 1HG2 VAL 61 -0.237 -6.778 -11.137 479 HG23 VAL 61 2HG2 VAL 61 -1.613 -6.611 -12.253 480 H ASP 62 H ASP 62 -1.931 -7.681 -7.381 481 HA ASP 62 HA ASP 62 0.437 -9.271 -8.346 482 HB2 ASP 62 1HB ASP 62 0.675 -7.220 -6.959 483 HB3 ASP 62 2HB ASP 62 -0.188 -7.979 -5.632 484 H ARG 63 H ARG 63 1.325 -10.817 -6.936 485 HA ARG 63 HA ARG 63 -0.183 -13.338 -6.885 486 HE ARG 63 HE ARG 63 3.535 -10.507 -6.411 487 HB2 ARG 63 1HB ARG 63 2.349 -13.073 -5.206 488 HB3 ARG 63 2HB ARG 63 1.746 -14.444 -6.073 489 HG2 ARG 63 1HG ARG 63 2.993 -13.984 -7.911 490 HG3 ARG 63 2HG ARG 63 2.469 -12.334 -8.058 491 HD2 ARG 63 1HD ARG 63 4.705 -13.390 -6.221 492 HD3 ARG 63 2HD ARG 63 4.918 -12.482 -7.722 493 HH11 ARG 63 2HH2 ARG 63 6.104 -12.454 -5.067 494 HH12 ARG 63 1HH2 ARG 63 6.210 -11.339 -3.615 495 HH21 ARG 63 2HH1 ARG 63 3.510 -9.494 -4.672 496 HH22 ARG 63 1HH1 ARG 63 4.836 -9.733 -3.417 497 H LEU 64 H LEU 64 1.020 -11.402 -4.144 498 HA LEU 64 HA LEU 64 -1.073 -12.648 -2.327 499 HG LEU 64 HG LEU 64 1.786 -10.207 -1.907 500 HB2 LEU 64 1HB LEU 64 -0.004 -11.746 -0.384 501 HB3 LEU 64 2HB LEU 64 0.836 -13.025 -1.163 502 HD11 LEU 64 1HD1 LEU 64 2.392 -11.499 0.835 503 HD12 LEU 64 2HD1 LEU 64 3.128 -10.026 0.173 504 HD13 LEU 64 3HD1 LEU 64 1.411 -10.045 0.580 505 HD21 LEU 64 3HD2 LEU 64 2.943 -12.243 -2.859 506 HD22 LEU 64 1HD2 LEU 64 4.030 -11.385 -1.747 507 HD23 LEU 64 2HD2 LEU 64 3.224 -12.874 -1.226 508 H ALA 65 H ALA 65 0.093 -9.379 -3.360 509 HA ALA 65 HA ALA 65 -2.246 -8.098 -1.955 510 HB1 ALA 65 3HB ALA 65 -0.118 -6.850 -3.783 511 HB2 ALA 65 1HB ALA 65 -1.341 -5.982 -2.848 512 HB3 ALA 65 2HB ALA 65 -0.115 -6.951 -2.015 513 H ARG 66 H ARG 66 -3.708 -9.459 -2.955 514 HA ARG 66 HA ARG 66 -4.362 -9.252 -5.828 515 HE ARG 66 HE ARG 66 -3.121 -14.142 -4.546 516 HB2 ARG 66 1HB ARG 66 -5.977 -10.637 -3.604 517 HB3 ARG 66 2HB ARG 66 -6.299 -10.775 -5.334 518 HG2 ARG 66 1HG ARG 66 -3.964 -11.730 -5.705 519 HG3 ARG 66 2HG ARG 66 -3.645 -11.570 -3.992 520 HD2 ARG 66 1HD ARG 66 -5.940 -13.111 -3.802 521 HD3 ARG 66 2HD ARG 66 -5.488 -13.537 -5.442 522 HH11 ARG 66 2HH2 ARG 66 -5.615 -13.935 -2.067 523 HH12 ARG 66 1HH2 ARG 66 -4.349 -14.522 -0.824 524 HH21 ARG 66 2HH1 ARG 66 -1.893 -14.740 -3.098 525 HH22 ARG 66 1HH1 ARG 66 -2.462 -14.783 -1.351 526 H THR 67 H THR 67 -6.106 -7.875 -3.035 527 HA THR 67 HA THR 67 -7.553 -6.013 -4.998 528 HB THR 67 HB THR 67 -8.643 -5.086 -2.792 529 HG1 THR 67 HG1 THR 67 -7.518 -6.468 -1.302 530 HG21 THR 67 3HG2 THR 67 -9.545 -7.801 -3.934 531 HG22 THR 67 1HG2 THR 67 -10.552 -6.647 -3.030 532 HG23 THR 67 2HG2 THR 67 -9.919 -6.203 -4.637 533 H GLU 68 H GLU 68 -6.152 -4.467 -5.560 534 HA GLU 68 HA GLU 68 -4.107 -3.420 -3.529 535 HB2 GLU 68 1HB GLU 68 -3.082 -5.320 -4.321 536 HB3 GLU 68 2HB GLU 68 -3.591 -5.140 -5.985 537 HG2 GLU 68 1HG GLU 68 -1.193 -4.769 -5.692 538 HG3 GLU 68 2HG GLU 68 -2.010 -3.416 -6.459 539 H ILE 69 H ILE 69 -4.592 -1.378 -3.600 540 HA ILE 69 HA ILE 69 -3.806 0.048 -5.939 541 HB ILE 69 HB ILE 69 -6.151 -0.206 -6.619 542 HG12 ILE 69 1HG1 ILE 69 -6.667 2.159 -7.216 543 HG13 ILE 69 2HG1 ILE 69 -5.448 2.752 -6.128 544 HG21 ILE 69 1HG2 ILE 69 -7.973 1.186 -5.476 545 HG22 ILE 69 2HG2 ILE 69 -7.379 -0.191 -4.545 546 HG23 ILE 69 3HG2 ILE 69 -6.874 1.450 -4.117 547 HD11 ILE 69 3HD1 ILE 69 -5.041 1.073 -8.688 548 HD12 ILE 69 1HD1 ILE 69 -4.490 2.729 -8.372 549 HD13 ILE 69 2HD1 ILE 69 -3.700 1.362 -7.561 550 H LYS 70 H LYS 70 -3.423 2.161 -5.617 551 HA LYS 70 HA LYS 70 -2.833 3.065 -2.772 552 HB2 LYS 70 1HB LYS 70 -1.092 4.602 -3.690 553 HB3 LYS 70 2HB LYS 70 -0.713 2.925 -3.578 554 HG2 LYS 70 1HG LYS 70 -1.703 3.362 -6.311 555 HG3 LYS 70 2HG LYS 70 -0.699 4.707 -5.926 556 HD2 LYS 70 1HD LYS 70 0.505 2.875 -7.067 557 HD3 LYS 70 2HD LYS 70 1.261 3.372 -5.576 558 HE2 LYS 70 1HE LYS 70 1.409 0.959 -5.968 559 HE3 LYS 70 2HE LYS 70 0.660 1.309 -4.427 560 HZ1 LYS 70 3HZ LYS 70 -0.775 -0.425 -5.447 561 HZ2 LYS 70 1HZ LYS 70 -1.571 0.999 -5.568 562 HZ3 LYS 70 2HZ LYS 70 -0.813 0.395 -6.906 563 H ASN 71 H ASN 71 -5.177 3.382 -3.083 564 HA ASN 71 HA ASN 71 -6.038 6.049 -4.238 565 HB2 ASN 71 1HB ASN 71 -7.329 4.209 -2.165 566 HB3 ASN 71 2HB ASN 71 -8.079 5.673 -2.774 567 HD21 ASN 71 1HD2 ASN 71 -9.441 3.380 -2.948 568 HD22 ASN 71 2HD2 ASN 71 -9.527 2.959 -4.752 569 H PHE 72 H PHE 72 -4.090 6.970 -3.267 570 HA PHE 72 HA PHE 72 -3.964 7.141 -0.214 571 HD1 PHE 72 HD2 PHE 72 -2.197 5.405 1.009 572 HD2 PHE 72 HD1 PHE 72 0.129 8.031 -1.480 573 HE1 PHE 72 HE2 PHE 72 -0.359 5.326 2.641 574 HE2 PHE 72 HE1 PHE 72 1.949 7.983 0.185 575 HZ PHE 72 HZ PHE 72 1.721 6.610 2.237 576 HB2 PHE 72 1HB PHE 72 -2.510 5.582 -1.581 577 HB3 PHE 72 2HB PHE 72 -1.809 6.942 -2.428 578 H THR 73 H THR 73 -5.111 9.140 -0.166 579 HA THR 73 HA THR 73 -4.119 11.489 -1.579 580 HB THR 73 HB THR 73 -6.180 11.427 0.647 581 HG1 THR 73 HG1 THR 73 -6.737 11.929 -2.061 582 HG21 THR 73 3HG2 THR 73 -6.851 13.637 -0.469 583 HG22 THR 73 1HG2 THR 73 -5.271 13.753 0.347 584 HG23 THR 73 2HG2 THR 73 -5.332 13.569 -1.407 585 H VAL 74 H VAL 74 -2.087 11.811 -1.141 586 HA VAL 74 HA VAL 74 -1.163 12.224 1.727 587 HB VAL 74 HB VAL 74 -0.320 10.223 0.883 588 HG11 VAL 74 1HG1 VAL 74 1.419 10.086 -0.940 589 HG12 VAL 74 2HG1 VAL 74 -0.146 10.599 -1.598 590 HG13 VAL 74 3HG1 VAL 74 1.141 11.795 -1.334 591 HG21 VAL 74 3HG2 VAL 74 1.200 11.670 2.414 592 HG22 VAL 74 1HG2 VAL 74 2.090 10.505 1.405 593 HG23 VAL 74 2HG2 VAL 74 2.042 12.229 0.962 594 H PHE 75 H PHE 75 -0.348 13.918 2.355 595 HA PHE 75 HA PHE 75 -0.394 16.348 0.539 596 HD1 PHE 75 HD2 PHE 75 -2.241 18.407 1.495 597 HD2 PHE 75 HD1 PHE 75 -2.548 14.569 3.396 598 HE1 PHE 75 HE2 PHE 75 -4.694 18.509 1.315 599 HE2 PHE 75 HE1 PHE 75 -4.999 14.645 3.160 600 HZ PHE 75 HZ PHE 75 -6.088 16.638 2.163 601 HB2 PHE 75 1HB PHE 75 -0.415 15.960 3.615 602 HB3 PHE 75 2HB PHE 75 -0.336 17.535 2.879 603 H PHE 76 H PHE 76 1.347 17.427 -0.052 604 HA PHE 76 HA PHE 76 4.040 16.879 1.280 605 HD1 PHE 76 HD1 PHE 76 5.169 14.880 0.544 606 HD2 PHE 76 HD2 PHE 76 2.803 15.697 -2.947 607 HE1 PHE 76 HE1 PHE 76 4.987 12.450 0.079 608 HE2 PHE 76 HE2 PHE 76 2.704 13.292 -3.442 609 HZ PHE 76 HZ PHE 76 3.792 11.661 -1.896 610 HB2 PHE 76 1HB PHE 76 3.527 17.555 -1.679 611 HB3 PHE 76 2HB PHE 76 5.097 17.301 -0.947 612 H GLU 77 H GLU 77 5.436 18.564 1.676 613 HA GLU 77 HA GLU 77 4.291 21.348 1.800 614 HB2 GLU 77 1HB GLU 77 5.665 20.321 3.626 615 HB3 GLU 77 2HB GLU 77 7.051 20.197 2.556 616 HG2 GLU 77 1HG GLU 77 6.858 22.856 2.324 617 HG3 GLU 77 2HG GLU 77 5.740 22.757 3.681 618 H ASN 78 H ASN 78 7.334 20.274 0.534 619 HA ASN 78 HA ASN 78 6.324 20.666 -2.186 620 HB2 ASN 78 1HB ASN 78 7.761 22.757 -1.909 621 HB3 ASN 78 2HB ASN 78 9.188 21.748 -1.753 622 HD21 ASN 78 1HD2 ASN 78 7.827 23.639 -3.954 623 HD22 ASN 78 2HD2 ASN 78 7.997 22.589 -5.454 624 H GLU 79 H GLU 79 9.409 19.684 -0.612 625 HA GLU 79 HA GLU 79 9.073 16.897 -1.808 626 HB2 GLU 79 1HB GLU 79 11.463 18.317 -0.519 627 HB3 GLU 79 2HB GLU 79 11.404 16.586 -0.533 628 HG2 GLU 79 1HG GLU 79 11.306 18.320 -3.066 629 HG3 GLU 79 2HG GLU 79 12.695 17.468 -2.424 630 H GLN 80 H GLN 80 8.984 18.431 1.483 631 HA GLN 80 HA GLN 80 9.266 15.687 2.651 632 HB2 GLN 80 1HB GLN 80 9.389 16.550 4.810 633 HB3 GLN 80 2HB GLN 80 10.514 17.364 3.757 634 HG2 GLN 80 1HG GLN 80 9.181 19.458 3.804 635 HG3 GLN 80 2HG GLN 80 7.822 18.645 4.576 636 HE21 GLN 80 1HE2 GLN 80 8.276 20.584 6.066 637 HE22 GLN 80 2HE2 GLN 80 9.343 20.103 7.485 638 H VAL 81 H VAL 81 7.838 14.534 3.852 639 HA VAL 81 HA VAL 81 5.063 14.876 2.779 640 HB VAL 81 HB VAL 81 5.999 12.413 4.360 641 HG11 VAL 81 1HG1 VAL 81 3.584 12.533 3.859 642 HG12 VAL 81 2HG1 VAL 81 3.901 12.885 2.154 643 HG13 VAL 81 3HG1 VAL 81 4.312 11.287 2.828 644 HG21 VAL 81 3HG2 VAL 81 6.604 11.325 2.147 645 HG22 VAL 81 1HG2 VAL 81 6.640 12.946 1.388 646 HG23 VAL 81 2HG2 VAL 81 7.748 12.541 2.687 647 H VAL 82 H VAL 82 3.340 15.437 3.900 648 HA VAL 82 HA VAL 82 3.581 15.950 6.881 649 HB VAL 82 HB VAL 82 1.366 16.796 4.911 650 HG11 VAL 82 1HG1 VAL 82 1.891 17.737 7.819 651 HG12 VAL 82 2HG1 VAL 82 0.676 18.406 6.703 652 HG13 VAL 82 3HG1 VAL 82 0.514 16.747 7.292 653 HG21 VAL 82 3HG2 VAL 82 3.524 17.969 4.365 654 HG22 VAL 82 1HG2 VAL 82 2.368 19.092 5.091 655 HG23 VAL 82 2HG2 VAL 82 3.719 18.454 6.064 656 H ARG 83 H ARG 83 0.939 14.483 4.895 657 HA ARG 83 HA ARG 83 0.694 12.168 6.754 658 HE ARG 83 HE ARG 83 -3.915 12.393 7.526 659 HB2 ARG 83 1HB ARG 83 -1.470 12.602 7.730 660 HB3 ARG 83 2HB ARG 83 -0.337 13.844 8.155 661 HG2 ARG 83 1HG ARG 83 -2.129 15.192 7.776 662 HG3 ARG 83 2HG ARG 83 -1.427 15.277 6.179 663 HD2 ARG 83 1HD ARG 83 -3.764 14.925 5.782 664 HD3 ARG 83 2HD ARG 83 -3.048 13.377 5.445 665 HH11 ARG 83 2HH2 ARG 83 -4.746 15.789 7.300 666 HH12 ARG 83 1HH2 ARG 83 -6.082 15.621 8.543 667 HH21 ARG 83 2HH1 ARG 83 -5.564 12.216 8.809 668 HH22 ARG 83 1HH1 ARG 83 -6.474 13.702 9.371 669 H TRP 84 H TRP 84 -1.037 10.655 6.152 670 HA TRP 84 HA TRP 84 -1.537 10.718 3.147 671 HD1 TRP 84 HD1 TRP 84 -0.683 6.400 4.937 672 HE1 TRP 84 HE1 TRP 84 1.380 5.498 6.309 673 HE3 TRP 84 HE3 TRP 84 2.279 10.546 4.387 674 HZ2 TRP 84 HZ2 TRP 84 3.961 6.533 6.874 675 HZ3 TRP 84 HZ3 TRP 84 4.602 10.470 5.282 676 HH2 TRP 84 HH2 TRP 84 5.425 8.512 6.428 677 HB2 TRP 84 1HB TRP 84 -0.714 8.423 2.906 678 HB3 TRP 84 2HB TRP 84 0.466 9.679 3.083 679 H GLU 85 H GLU 85 -3.642 10.776 3.190 680 HA GLU 85 HA GLU 85 -5.180 8.458 4.400 681 HB2 GLU 85 1HB GLU 85 -5.258 11.278 5.525 682 HB3 GLU 85 2HB GLU 85 -6.730 10.346 5.558 683 HG2 GLU 85 1HG GLU 85 -5.965 8.718 7.046 684 HG3 GLU 85 2HG GLU 85 -4.275 8.859 6.608 685 H GLY 86 H GLY 86 -5.714 7.880 2.465 686 HA2 GLY 86 1HA GLY 86 -8.218 9.280 1.408 687 HA3 GLY 86 2HA GLY 86 -7.170 8.442 0.274 688 H ASP 87 H ASP 87 -7.552 6.300 0.024 689 HA ASP 87 HA ASP 87 -8.878 4.630 2.113 690 HB2 ASP 87 1HB ASP 87 -10.812 5.894 1.050 691 HB3 ASP 87 2HB ASP 87 -10.433 5.171 -0.502 692 H TYR 88 H TYR 88 -6.591 3.959 1.595 693 HA TYR 88 HA TYR 88 -6.271 2.378 -0.949 694 HD1 TYR 88 HD2 TYR 88 -5.063 2.400 2.933 695 HD2 TYR 88 HD1 TYR 88 -1.886 2.818 0.056 696 HE1 TYR 88 HE2 TYR 88 -3.387 2.123 4.717 697 HE2 TYR 88 HE1 TYR 88 -0.248 2.511 1.802 698 HH TYR 88 HH TYR 88 0.091 2.335 4.000 699 HB2 TYR 88 1HB TYR 88 -4.080 2.378 -0.744 700 HB3 TYR 88 2HB TYR 88 -4.518 3.931 -0.110 701 H PHE 89 H PHE 89 -5.425 0.249 -1.057 702 HA PHE 89 HA PHE 89 -6.981 -1.577 0.860 703 HD1 PHE 89 HD1 PHE 89 -8.747 -0.160 -0.166 704 HD2 PHE 89 HD2 PHE 89 -8.048 -2.762 -3.546 705 HE1 PHE 89 HE1 PHE 89 -10.752 0.693 -1.242 706 HE2 PHE 89 HE2 PHE 89 -10.096 -1.911 -4.597 707 HZ PHE 89 HZ PHE 89 -11.452 -0.171 -3.462 708 HB2 PHE 89 1HB PHE 89 -6.140 -2.097 -2.042 709 HB3 PHE 89 2HB PHE 89 -7.060 -3.177 -1.024 710 HA PRO 90 HA PRO 90 -2.666 -3.299 1.539 711 HB2 PRO 90 1HB PRO 90 -2.607 -3.428 4.269 712 HB3 PRO 90 2HB PRO 90 -2.527 -1.879 3.400 713 HG2 PRO 90 1HG PRO 90 -5.045 -3.191 4.616 714 HG3 PRO 90 2HG PRO 90 -4.431 -1.544 4.934 715 HD2 PRO 90 1HD PRO 90 -6.380 -2.022 2.991 716 HD3 PRO 90 2HD PRO 90 -5.129 -0.754 2.773 717 H SER 91 H SER 91 -3.930 -4.949 0.339 718 HA SER 91 HA SER 91 -4.998 -7.290 1.975 719 HG SER 91 HG SER 91 -6.162 -5.432 0.382 720 HB2 SER 91 1HB SER 91 -4.891 -6.926 -1.087 721 HB3 SER 91 2HB SER 91 -5.794 -8.167 -0.211 722 H GLN 92 H GLN 92 -2.467 -7.142 2.545 723 HA GLN 92 HA GLN 92 -0.818 -9.079 0.869 724 HB2 GLN 92 1HB GLN 92 -0.067 -7.516 3.422 725 HB3 GLN 92 2HB GLN 92 0.959 -8.698 2.645 726 HG2 GLN 92 1HG GLN 92 1.834 -6.778 1.824 727 HG3 GLN 92 2HG GLN 92 0.891 -7.329 0.469 728 HE21 GLN 92 1HE2 GLN 92 -0.755 -5.938 -0.248 729 HE22 GLN 92 2HE2 GLN 92 -0.873 -4.235 0.422 730 H ASP 93 H ASP 93 -1.969 -11.012 1.155 731 HA ASP 93 HA ASP 93 -2.178 -12.223 3.832 732 HB2 ASP 93 1HB ASP 93 -3.252 -14.070 2.907 733 HB3 ASP 93 2HB ASP 93 -3.845 -12.647 2.102 734 H GLU 94 H GLU 94 0.456 -11.812 2.596 735 HA GLU 94 HA GLU 94 1.540 -13.522 4.724 736 HB2 GLU 94 1HB GLU 94 2.417 -14.673 2.607 737 HB3 GLU 94 2HB GLU 94 3.340 -13.231 2.224 738 HG2 GLU 94 1HG GLU 94 3.634 -14.908 4.823 739 HG3 GLU 94 2HG GLU 94 4.602 -15.117 3.381 740 H GLN 95 H GLN 95 1.753 -11.905 6.047 741 HA GLN 95 HA GLN 95 4.168 -10.382 5.596 742 HB2 GLN 95 1HB GLN 95 2.555 -8.684 4.687 743 HB3 GLN 95 2HB GLN 95 1.816 -8.504 6.272 744 HG2 GLN 95 1HG GLN 95 3.846 -7.573 7.238 745 HG3 GLN 95 2HG GLN 95 4.875 -8.154 5.945 746 HE21 GLN 95 1HE2 GLN 95 5.086 -6.902 4.084 747 HE22 GLN 95 2HE2 GLN 95 4.292 -5.236 3.970 748 H LEU 96 H LEU 96 4.668 -11.991 7.096 749 HA LEU 96 HA LEU 96 3.745 -11.814 9.910 750 HG LEU 96 HG LEU 96 3.632 -14.205 10.261 751 HB2 LEU 96 1HB LEU 96 6.051 -13.304 8.531 752 HB3 LEU 96 2HB LEU 96 5.965 -13.226 10.275 753 HD11 LEU 96 1HD1 LEU 96 2.927 -13.785 7.871 754 HD12 LEU 96 2HD1 LEU 96 4.254 -14.801 7.281 755 HD13 LEU 96 3HD1 LEU 96 2.927 -15.516 8.226 756 HD21 LEU 96 3HD2 LEU 96 5.693 -15.554 10.744 757 HD22 LEU 96 1HD2 LEU 96 4.493 -16.531 9.883 758 HD23 LEU 96 2HD2 LEU 96 5.907 -15.894 9.010 759 H ALA 97 H ALA 97 3.975 -9.498 9.900 760 HA ALA 97 HA ALA 97 6.347 -8.568 11.532 761 HB1 ALA 97 3HB ALA 97 5.509 -7.290 8.826 762 HB2 ALA 97 1HB ALA 97 6.801 -6.684 9.894 763 HB3 ALA 97 2HB ALA 97 6.984 -8.249 9.099 764 H LYS 98 H LYS 98 5.973 -6.046 11.858 765 HA LYS 98 HA LYS 98 3.389 -5.839 13.402 766 HB2 LYS 98 1HB LYS 98 5.739 -5.166 14.226 767 HB3 LYS 98 2HB LYS 98 5.729 -3.868 13.050 768 HG2 LYS 98 1HG LYS 98 3.344 -3.310 14.441 769 HG3 LYS 98 2HG LYS 98 4.198 -4.210 15.664 770 HD2 LYS 98 1HD LYS 98 4.613 -1.849 15.988 771 HD3 LYS 98 2HD LYS 98 6.125 -2.633 15.594 772 HE2 LYS 98 1HE LYS 98 5.883 -0.386 14.514 773 HE3 LYS 98 2HE LYS 98 6.186 -1.642 13.333 774 HZ1 LYS 98 3HZ LYS 98 3.861 -1.653 12.669 775 HZ2 LYS 98 1HZ LYS 98 3.381 -0.723 13.950 776 HZ3 LYS 98 2HZ LYS 98 4.239 -0.013 12.730 777 H ALA 99 H ALA 99 2.361 -6.035 11.238 778 HA ALA 99 HA ALA 99 2.167 -3.604 9.512 779 HB1 ALA 99 3HB ALA 99 0.825 -6.372 9.278 780 HB2 ALA 99 1HB ALA 99 0.931 -5.148 8.001 781 HB3 ALA 99 2HB ALA 99 2.408 -5.908 8.609 782 H ALA 100 H ALA 100 1.201 -2.283 11.218 783 HA ALA 100 HA ALA 100 -1.730 -2.636 11.769 784 HB1 ALA 100 3HB ALA 100 -1.457 -0.650 13.237 785 HB2 ALA 100 1HB ALA 100 -0.228 -1.884 13.562 786 HB3 ALA 100 2HB ALA 100 0.203 -0.409 12.662 787 HA PRO 101 HA PRO 101 -2.671 0.067 8.140 788 HB2 PRO 101 1HB PRO 101 -5.416 -0.061 8.083 789 HB3 PRO 101 2HB PRO 101 -4.348 -1.432 7.706 790 HG2 PRO 101 1HG PRO 101 -5.693 -0.824 10.417 791 HG3 PRO 101 2HG PRO 101 -5.782 -2.350 9.495 792 HD2 PRO 101 1HD PRO 101 -3.941 -2.004 11.531 793 HD3 PRO 101 2HD PRO 101 -3.495 -2.934 10.062 794 H LYS 102 H LYS 102 -1.662 1.727 9.366 795 HA LYS 102 HA LYS 102 -3.216 3.697 10.907 796 HB2 LYS 102 1HB LYS 102 -0.856 3.087 11.239 797 HB3 LYS 102 2HB LYS 102 -0.399 3.850 9.708 798 HG2 LYS 102 1HG LYS 102 -1.077 6.119 10.651 799 HG3 LYS 102 2HG LYS 102 -1.677 5.334 12.107 800 HD2 LYS 102 1HD LYS 102 0.455 6.128 12.754 801 HD3 LYS 102 2HD LYS 102 0.641 4.396 12.567 802 HE2 LYS 102 1HE LYS 102 1.508 5.021 10.076 803 HE3 LYS 102 2HE LYS 102 1.640 6.663 10.694 804 HZ1 LYS 102 3HZ LYS 102 3.666 4.969 10.946 805 HZ2 LYS 102 1HZ LYS 102 3.348 5.852 12.325 806 HZ3 LYS 102 2HZ LYS 102 2.841 4.262 12.147 807 H GLN 103 H GLN 103 -4.848 3.912 9.309 808 HA GLN 103 HA GLN 103 -4.528 6.564 7.799 809 HB2 GLN 103 1HB GLN 103 -4.161 4.744 6.198 810 HB3 GLN 103 2HB GLN 103 -5.680 3.954 6.607 811 HG2 GLN 103 1HG GLN 103 -7.021 5.704 5.588 812 HG3 GLN 103 2HG GLN 103 -5.726 6.857 5.613 813 HE21 GLN 103 1HE2 GLN 103 -3.910 6.497 4.080 814 HE22 GLN 103 2HE2 GLN 103 -4.275 5.516 2.564 815 H PHE 104 H PHE 104 -5.560 7.475 9.580 816 HA PHE 104 HA PHE 104 -8.206 6.471 10.477 817 HD1 PHE 104 HD1 PHE 104 -4.545 8.306 11.608 818 HD2 PHE 104 HD2 PHE 104 -8.241 10.496 11.956 819 HE1 PHE 104 HE1 PHE 104 -3.287 10.409 11.823 820 HE2 PHE 104 HE2 PHE 104 -6.967 12.588 12.199 821 HZ PHE 104 HZ PHE 104 -4.486 12.553 12.128 822 HB2 PHE 104 1HB PHE 104 -8.206 8.015 12.257 823 HB3 PHE 104 2HB PHE 104 -6.719 7.130 12.176 824 H GLY 105 H GLY 105 -7.311 9.430 8.800 825 HA2 GLY 105 1HA GLY 105 -10.139 10.179 8.098 826 HA3 GLY 105 2HA GLY 105 -8.694 10.741 7.281 827 H ARG 106 H ARG 106 -10.621 7.844 7.635 828 HA ARG 106 HA ARG 106 -9.861 6.683 5.015 829 HE ARG 106 HE ARG 106 -9.180 3.598 5.943 830 HB2 ARG 106 1HB ARG 106 -10.348 5.379 7.025 831 HB3 ARG 106 2HB ARG 106 -12.003 5.962 7.097 832 HG2 ARG 106 1HG ARG 106 -11.975 3.691 6.306 833 HG3 ARG 106 2HG ARG 106 -12.661 4.756 5.106 834 HD2 ARG 106 1HD ARG 106 -11.398 3.102 3.995 835 HD3 ARG 106 2HD ARG 106 -10.587 4.643 3.716 836 HH11 ARG 106 2HH2 ARG 106 -9.841 2.371 2.663 837 HH12 ARG 106 1HH2 ARG 106 -8.260 1.435 2.708 838 HH21 ARG 106 2HH1 ARG 106 -7.439 2.483 5.857 839 HH22 ARG 106 1HH1 ARG 106 -7.043 1.472 4.388 840 H ASN 107 H ASN 107 -10.396 7.883 3.304 841 HA ASN 107 HA ASN 107 -13.293 8.642 2.733 842 HB2 ASN 107 1HB ASN 107 -12.063 10.468 4.139 843 HB3 ASN 107 2HB ASN 107 -10.983 10.710 2.788 844 HD21 ASN 107 1HD2 ASN 107 -14.333 10.996 3.860 845 HD22 ASN 107 2HD2 ASN 107 -14.766 12.213 2.542 846 H LEU 108 H LEU 108 -13.692 8.136 0.708 847 HA LEU 108 HA LEU 108 -11.613 7.388 -1.233 848 HG LEU 108 HG LEU 108 -13.326 7.046 -3.718 849 HB2 LEU 108 1HB LEU 108 -13.912 6.332 -0.781 850 HB3 LEU 108 2HB LEU 108 -14.656 7.715 -1.578 851 HD11 LEU 108 1HD1 LEU 108 -12.546 4.643 -3.803 852 HD12 LEU 108 2HD1 LEU 108 -11.604 5.519 -2.588 853 HD13 LEU 108 3HD1 LEU 108 -12.903 4.436 -2.072 854 HD21 LEU 108 3HD2 LEU 108 -15.385 5.055 -2.548 855 HD22 LEU 108 1HD2 LEU 108 -15.762 6.568 -3.408 856 HD23 LEU 108 2HD2 LEU 108 -14.967 5.237 -4.268 857 H ALA 109 H ALA 109 -10.554 9.504 -1.249 858 HA ALA 109 HA ALA 109 -11.865 11.786 -2.576 859 HB1 ALA 109 3HB ALA 109 -9.197 11.491 -1.039 860 HB2 ALA 109 1HB ALA 109 -9.991 13.016 -1.457 861 HB3 ALA 109 2HB ALA 109 -10.777 11.897 -0.324 862 H ARG 110 H ARG 110 -11.116 12.915 -4.094 863 HA ARG 110 HA ARG 110 -8.566 12.492 -5.587 864 HE ARG 110 HE ARG 110 -8.160 11.586 -10.529 865 HB2 ARG 110 1HB ARG 110 -10.211 10.788 -6.561 866 HB3 ARG 110 2HB ARG 110 -11.188 12.098 -7.195 867 HG2 ARG 110 1HG ARG 110 -9.427 12.793 -8.749 868 HG3 ARG 110 2HG ARG 110 -8.187 11.880 -7.890 869 HD2 ARG 110 1HD ARG 110 -9.330 9.702 -8.483 870 HD3 ARG 110 2HD ARG 110 -10.533 10.591 -9.443 871 HH11 ARG 110 2HH2 ARG 110 -9.089 8.240 -9.925 872 HH12 ARG 110 1HH2 ARG 110 -8.197 7.706 -11.423 873 HH21 ARG 110 2HH1 ARG 110 -7.124 10.873 -12.154 874 HH22 ARG 110 1HH1 ARG 110 -7.121 9.106 -12.579 875 H ASP 111 H ASP 111 -7.808 14.332 -6.416 876 HA ASP 111 HA ASP 111 -9.047 16.787 -5.689 877 HB2 ASP 111 1HB ASP 111 -6.566 16.255 -5.884 878 HB3 ASP 111 2HB ASP 111 -6.676 16.483 -7.635 879 H LYS 112 H LYS 112 -9.036 18.609 -7.002 880 HA LYS 112 HA LYS 112 -10.682 18.509 -9.571 881 HB2 LYS 112 1HB LYS 112 -11.868 19.587 -7.650 882 HB3 LYS 112 2HB LYS 112 -10.602 20.782 -7.480 883 HG2 LYS 112 1HG LYS 112 -12.302 20.431 -10.058 884 HG3 LYS 112 2HG LYS 112 -12.819 21.369 -8.665 885 HD2 LYS 112 1HD LYS 112 -10.647 22.761 -8.862 886 HD3 LYS 112 2HD LYS 112 -10.330 21.942 -10.391 887 HE2 LYS 112 1HE LYS 112 -12.495 22.794 -11.357 888 HE3 LYS 112 2HE LYS 112 -12.902 23.584 -9.826 889 HZ1 LYS 112 3HZ LYS 112 -11.610 25.093 -11.529 890 HZ2 LYS 112 1HZ LYS 112 -10.925 25.018 -10.035 891 HZ3 LYS 112 2HZ LYS 112 -10.295 24.147 -11.268 892 H LYS 113 H LYS 113 -8.522 17.884 -10.088 893 HA LYS 113 HA LYS 113 -6.266 19.632 -9.935 894 HB2 LYS 113 1HB LYS 113 -6.444 17.030 -10.047 895 HB3 LYS 113 2HB LYS 113 -6.534 17.189 -11.786 896 HG2 LYS 113 1HG LYS 113 -4.331 16.627 -11.355 897 HG3 LYS 113 2HG LYS 113 -4.190 18.324 -11.736 898 HD2 LYS 113 1HD LYS 113 -4.510 17.353 -8.818 899 HD3 LYS 113 2HD LYS 113 -2.976 17.140 -9.616 900 HE2 LYS 113 1HE LYS 113 -2.429 19.430 -9.724 901 HE3 LYS 113 2HE LYS 113 -4.095 19.984 -9.732 902 HZ1 LYS 113 3HZ LYS 113 -3.150 20.345 -7.468 903 HZ2 LYS 113 1HZ LYS 113 -4.389 19.193 -7.400 904 HZ3 LYS 113 2HZ LYS 113 -2.800 18.730 -7.314 905 H LYS 114 H LYS 114 -7.456 21.427 -10.954 906 HA LYS 114 HA LYS 114 -6.051 22.419 -13.257 907 HB2 LYS 114 1HB LYS 114 -7.699 22.684 -15.014 908 HB3 LYS 114 2HB LYS 114 -7.275 21.009 -14.763 909 HG2 LYS 114 1HG LYS 114 -9.449 20.596 -13.546 910 HG3 LYS 114 2HG LYS 114 -9.904 22.291 -13.752 911 HD2 LYS 114 1HD LYS 114 -9.751 22.032 -16.283 912 HD3 LYS 114 2HD LYS 114 -9.322 20.327 -16.074 913 HE2 LYS 114 1HE LYS 114 -11.553 19.914 -14.898 914 HE3 LYS 114 2HE LYS 114 -11.966 21.627 -15.086 915 HZ1 LYS 114 3HZ LYS 114 -11.766 21.383 -17.591 916 HZ2 LYS 114 1HZ LYS 114 -11.413 19.773 -17.414 917 HZ3 LYS 114 2HZ LYS 114 -12.907 20.335 -16.992 918 H GLN 115 H GLN 115 -6.015 24.527 -12.849 919 HA GLN 115 HA GLN 115 -7.965 26.029 -11.295 920 HB2 GLN 115 1HB GLN 115 -5.582 26.634 -11.575 921 HB3 GLN 115 2HB GLN 115 -5.848 27.090 -13.254 922 HG2 GLN 115 1HG GLN 115 -7.512 28.890 -12.438 923 HG3 GLN 115 2HG GLN 115 -7.158 28.437 -10.780 924 HE21 GLN 115 1HE2 GLN 115 -5.192 29.224 -9.888 925 HE22 GLN 115 2HE2 GLN 115 -4.109 30.346 -10.868 926 H ARG 116 H ARG 116 -7.447 27.055 -14.600 927 HA ARG 116 HA ARG 116 -9.904 25.724 -15.520 928 HE ARG 116 HE ARG 116 -10.834 28.738 -18.349 929 HB2 ARG 116 1HB ARG 116 -10.700 28.103 -14.597 930 HB3 ARG 116 2HB ARG 116 -10.061 28.741 -16.085 931 HG2 ARG 116 1HG ARG 116 -12.301 26.673 -15.637 932 HG3 ARG 116 2HG ARG 116 -12.486 28.311 -16.209 933 HD2 ARG 116 1HD ARG 116 -11.259 25.959 -17.801 934 HD3 ARG 116 2HD ARG 116 -12.881 26.628 -17.977 935 HH11 ARG 116 2HH2 ARG 116 -12.044 25.890 -20.058 936 HH12 ARG 116 1HH2 ARG 116 -11.582 26.666 -21.648 937 HH21 ARG 116 2HH1 ARG 116 -10.306 29.469 -20.185 938 HH22 ARG 116 1HH1 ARG 116 -10.638 28.534 -21.709 939 H GLY 117 H GLY 117 -8.185 24.696 -16.611 940 HA2 GLY 117 1HA GLY 117 -6.832 26.021 -18.923 941 HA3 GLY 117 2HA GLY 117 -6.759 24.316 -18.539 942 H ARG 118 H ARG 118 -8.739 23.098 -18.930 943 HA ARG 118 HA ARG 118 -10.488 24.115 -21.233 944 HE ARG 118 HE ARG 118 -12.942 19.506 -23.559 945 HB2 ARG 118 1HB ARG 118 -9.165 22.007 -21.732 946 HB3 ARG 118 2HB ARG 118 -10.009 21.177 -20.422 947 HG2 ARG 118 1HG ARG 118 -12.228 21.622 -21.606 948 HG3 ARG 118 2HG ARG 118 -11.368 22.481 -22.882 949 HD2 ARG 118 1HD ARG 118 -10.022 20.287 -23.348 950 HD3 ARG 118 2HD ARG 118 -10.992 19.503 -22.124 951 HH11 ARG 118 2HH2 ARG 118 -10.424 21.370 -25.058 952 HH12 ARG 118 1HH2 ARG 118 -11.263 21.335 -26.684 953 HH21 ARG 118 2HH1 ARG 118 -13.869 19.482 -25.405 954 HH22 ARG 118 1HH1 ARG 118 -13.129 20.317 -26.839 Start of MODEL 20 1 HA MET 1 HA MET 1 35.570 -23.067 1.734 2 H1 MET 1 1H MET 1 33.504 -25.146 2.400 3 H2 MET 1 2H MET 1 33.917 -23.835 3.302 4 H3 MET 1 3H MET 1 33.092 -23.651 1.871 5 HB2 MET 1 1HB MET 1 35.841 -26.124 2.133 6 HB3 MET 1 2HB MET 1 37.091 -25.090 1.467 7 HG2 MET 1 1HG MET 1 37.169 -23.732 3.603 8 HG3 MET 1 2HG MET 1 35.938 -24.794 4.322 9 HE1 MET 1 3HE MET 1 39.253 -25.973 6.063 10 HE2 MET 1 1HE MET 1 38.827 -24.308 5.585 11 HE3 MET 1 2HE MET 1 37.589 -25.378 6.310 12 H ALA 2 H ALA 2 34.674 -26.212 0.133 13 HA ALA 2 HA ALA 2 34.390 -24.800 -2.522 14 HB1 ALA 2 3HB ALA 2 35.226 -27.139 -2.434 15 HB2 ALA 2 1HB ALA 2 33.717 -27.696 -1.666 16 HB3 ALA 2 2HB ALA 2 33.695 -27.062 -3.322 17 H GLY 3 H GLY 3 32.865 -23.303 -2.196 18 HA2 GLY 3 1HA GLY 3 30.387 -22.590 -1.971 19 HA3 GLY 3 2HA GLY 3 30.151 -23.971 -0.912 20 H SER 4 H SER 4 31.044 -20.719 -1.036 21 HA SER 4 HA SER 4 31.677 -20.656 1.942 22 HG SER 4 HG SER 4 34.668 -18.792 1.660 23 HB2 SER 4 1HB SER 4 33.879 -20.828 0.652 24 HB3 SER 4 2HB SER 4 33.503 -19.292 -0.144 25 H GLY 5 H GLY 5 30.317 -19.248 2.766 26 HA2 GLY 5 1HA GLY 5 29.339 -17.019 3.132 27 HA3 GLY 5 2HA GLY 5 29.822 -16.527 1.529 28 H ILE 6 H ILE 6 27.433 -18.407 3.318 29 HA ILE 6 HA ILE 6 25.657 -18.710 0.956 30 HB ILE 6 HB ILE 6 25.872 -20.509 2.449 31 HG12 ILE 6 1HG1 ILE 6 22.945 -19.532 2.444 32 HG13 ILE 6 2HG1 ILE 6 23.788 -20.077 1.002 33 HG21 ILE 6 1HG2 ILE 6 24.913 -20.649 4.699 34 HG22 ILE 6 2HG2 ILE 6 25.996 -19.244 4.639 35 HG23 ILE 6 3HG2 ILE 6 24.239 -19.005 4.608 36 HD11 ILE 6 3HD1 ILE 6 22.458 -21.931 1.900 37 HD12 ILE 6 1HD1 ILE 6 24.177 -22.356 2.047 38 HD13 ILE 6 2HD1 ILE 6 23.256 -21.840 3.481 39 H ILE 7 H ILE 7 25.550 -16.480 0.462 40 HA ILE 7 HA ILE 7 23.855 -14.678 2.067 41 HB ILE 7 HB ILE 7 25.683 -13.838 0.786 42 HG12 ILE 7 1HG1 ILE 7 24.628 -11.849 -0.308 43 HG13 ILE 7 2HG1 ILE 7 23.041 -12.600 -0.221 44 HG21 ILE 7 1HG2 ILE 7 25.695 -13.492 -1.653 45 HG22 ILE 7 2HG2 ILE 7 25.604 -15.224 -1.320 46 HG23 ILE 7 3HG2 ILE 7 24.152 -14.354 -1.853 47 HD11 ILE 7 3HD1 ILE 7 23.455 -10.914 1.611 48 HD12 ILE 7 1HD1 ILE 7 23.128 -12.508 2.309 49 HD13 ILE 7 2HD1 ILE 7 24.798 -11.890 2.240 50 H TYR 8 H TYR 8 22.109 -16.122 2.359 51 HA TYR 8 HA TYR 8 20.172 -16.646 0.204 52 HD1 TYR 8 HD1 TYR 8 19.174 -19.380 0.585 53 HD2 TYR 8 HD2 TYR 8 17.234 -16.425 3.049 54 HE1 TYR 8 HE1 TYR 8 16.975 -20.251 -0.085 55 HE2 TYR 8 HE2 TYR 8 15.044 -17.293 2.359 56 HH TYR 8 HH TYR 8 13.969 -18.909 1.229 57 HB2 TYR 8 1HB TYR 8 20.492 -18.056 2.281 58 HB3 TYR 8 2HB TYR 8 19.724 -16.813 3.253 59 H LYS 9 H LYS 9 19.131 -15.062 -0.755 60 HA LYS 9 HA LYS 9 17.354 -13.198 0.846 61 HB2 LYS 9 1HB LYS 9 18.030 -11.178 -0.332 62 HB3 LYS 9 2HB LYS 9 19.287 -11.850 0.691 63 HG2 LYS 9 1HG LYS 9 20.485 -12.794 -1.308 64 HG3 LYS 9 2HG LYS 9 19.261 -12.173 -2.396 65 HD2 LYS 9 1HD LYS 9 20.998 -10.432 -0.511 66 HD3 LYS 9 2HD LYS 9 21.431 -10.845 -2.165 67 HE2 LYS 9 1HE LYS 9 19.305 -9.721 -3.028 68 HE3 LYS 9 2HE LYS 9 18.882 -9.253 -1.380 69 HZ1 LYS 9 3HZ LYS 9 21.048 -8.003 -1.245 70 HZ2 LYS 9 1HZ LYS 9 21.436 -8.430 -2.778 71 HZ3 LYS 9 2HZ LYS 9 20.162 -7.428 -2.505 72 H GLN 10 H GLN 10 16.012 -14.901 0.052 73 HA GLN 10 HA GLN 10 15.028 -14.488 -2.818 74 HB2 GLN 10 1HB GLN 10 14.323 -16.791 -0.911 75 HB3 GLN 10 2HB GLN 10 13.673 -16.524 -2.525 76 HG2 GLN 10 1HG GLN 10 16.220 -16.547 -3.331 77 HG3 GLN 10 2HG GLN 10 16.565 -17.273 -1.776 78 HE21 GLN 10 1HE2 GLN 10 15.090 -19.311 -1.311 79 HE22 GLN 10 2HE2 GLN 10 14.832 -20.348 -2.814 80 HA PRO 11 HA PRO 11 11.658 -12.305 -0.436 81 HB2 PRO 11 1HB PRO 11 10.750 -10.574 -2.369 82 HB3 PRO 11 2HB PRO 11 12.350 -10.418 -1.606 83 HG2 PRO 11 1HG PRO 11 11.691 -11.768 -4.299 84 HG3 PRO 11 2HG PRO 11 12.905 -10.493 -4.010 85 HD2 PRO 11 1HD PRO 11 13.568 -13.201 -4.048 86 HD3 PRO 11 2HD PRO 11 14.430 -12.062 -2.967 87 H ILE 12 H ILE 12 10.901 -14.593 -0.519 88 HA ILE 12 HA ILE 12 8.622 -15.187 -2.365 89 HB ILE 12 HB ILE 12 10.330 -16.796 -1.783 90 HG12 ILE 12 1HG1 ILE 12 8.365 -17.529 -2.891 91 HG13 ILE 12 2HG1 ILE 12 9.034 -18.754 -1.845 92 HG21 ILE 12 1HG2 ILE 12 10.294 -18.198 0.227 93 HG22 ILE 12 2HG2 ILE 12 10.624 -16.515 0.675 94 HG23 ILE 12 3HG2 ILE 12 9.022 -17.212 0.975 95 HD11 ILE 12 3HD1 ILE 12 6.601 -18.868 -1.734 96 HD12 ILE 12 1HD1 ILE 12 7.157 -18.304 -0.145 97 HD13 ILE 12 2HD1 ILE 12 6.444 -17.158 -1.299 98 H TYR 13 H TYR 13 7.463 -13.333 -1.775 99 HA TYR 13 HA TYR 13 5.212 -13.864 0.050 100 HD1 TYR 13 HD1 TYR 13 8.018 -11.150 -0.919 101 HD2 TYR 13 HD2 TYR 13 6.915 -10.924 3.253 102 HE1 TYR 13 HE1 TYR 13 9.574 -9.318 -0.601 103 HE2 TYR 13 HE2 TYR 13 8.498 -9.090 3.554 104 HH TYR 13 HH TYR 13 10.503 -7.931 0.844 105 HB2 TYR 13 1HB TYR 13 5.383 -12.047 1.569 106 HB3 TYR 13 2HB TYR 13 6.706 -13.156 1.768 107 H GLN 14 H GLN 14 3.503 -12.587 -0.270 108 HA GLN 14 HA GLN 14 3.157 -11.212 -2.783 109 HB2 GLN 14 1HB GLN 14 0.897 -10.872 -2.178 110 HB3 GLN 14 2HB GLN 14 1.416 -12.476 -1.729 111 HG2 GLN 14 1HG GLN 14 0.924 -10.120 0.210 112 HG3 GLN 14 2HG GLN 14 -0.176 -11.416 -0.185 113 HE21 GLN 14 1HE2 GLN 14 0.158 -11.051 2.379 114 HE22 GLN 14 2HE2 GLN 14 1.228 -12.395 3.033 115 H GLY 15 H GLY 15 3.410 -9.741 0.426 116 HA2 GLY 15 1HA GLY 15 3.191 -6.906 -0.642 117 HA3 GLY 15 2HA GLY 15 3.466 -7.350 1.018 118 H ASN 16 H ASN 16 5.077 -7.288 -2.068 119 HA ASN 16 HA ASN 16 7.779 -7.403 -0.960 120 HB2 ASN 16 1HB ASN 16 6.858 -6.680 -3.819 121 HB3 ASN 16 2HB ASN 16 8.535 -6.814 -3.346 122 HD21 ASN 16 1HD2 ASN 16 5.642 -8.685 -3.900 123 HD22 ASN 16 2HD2 ASN 16 6.489 -10.279 -3.652 124 H LEU 17 H LEU 17 6.516 -4.618 -2.813 125 HA LEU 17 HA LEU 17 8.232 -2.714 -1.141 126 HG LEU 17 HG LEU 17 9.553 -1.659 -3.022 127 HB2 LEU 17 1HB LEU 17 6.596 -2.271 -3.725 128 HB3 LEU 17 2HB LEU 17 7.197 -0.955 -2.744 129 HD11 LEU 17 1HD1 LEU 17 9.394 -4.105 -3.549 130 HD12 LEU 17 2HD1 LEU 17 8.451 -3.766 -5.019 131 HD13 LEU 17 3HD1 LEU 17 10.150 -3.255 -4.895 132 HD21 LEU 17 3HD2 LEU 17 8.490 0.044 -4.521 133 HD22 LEU 17 1HD2 LEU 17 9.702 -0.887 -5.403 134 HD23 LEU 17 2HD2 LEU 17 7.972 -1.227 -5.651 135 H ILE 18 H ILE 18 4.758 -3.097 -2.017 136 HA ILE 18 HA ILE 18 3.882 -1.175 0.108 137 HB ILE 18 HB ILE 18 2.383 -3.019 -1.849 138 HG12 ILE 18 1HG1 ILE 18 3.398 -1.078 -2.935 139 HG13 ILE 18 2HG1 ILE 18 1.655 -0.967 -2.947 140 HG21 ILE 18 1HG2 ILE 18 0.902 -2.904 0.119 141 HG22 ILE 18 2HG2 ILE 18 1.002 -1.133 0.168 142 HG23 ILE 18 3HG2 ILE 18 0.241 -1.976 -1.208 143 HD11 ILE 18 3HD1 ILE 18 2.674 1.236 -2.502 144 HD12 ILE 18 1HD1 ILE 18 1.742 0.749 -1.074 145 HD13 ILE 18 2HD1 ILE 18 3.496 0.669 -1.047 146 H LYS 19 H LYS 19 3.452 -1.625 2.073 147 HA LYS 19 HA LYS 19 2.724 -4.400 3.120 148 HB2 LYS 19 1HB LYS 19 5.103 -2.739 4.161 149 HB3 LYS 19 2HB LYS 19 4.442 -4.180 4.953 150 HG2 LYS 19 1HG LYS 19 5.033 -5.546 2.882 151 HG3 LYS 19 2HG LYS 19 5.753 -4.111 2.157 152 HD2 LYS 19 1HD LYS 19 7.432 -3.905 3.963 153 HD3 LYS 19 2HD LYS 19 6.725 -5.265 4.858 154 HE2 LYS 19 1HE LYS 19 7.199 -6.842 2.980 155 HE3 LYS 19 2HE LYS 19 7.749 -5.538 1.941 156 HZ1 LYS 19 3HZ LYS 19 9.134 -6.311 4.514 157 HZ2 LYS 19 1HZ LYS 19 9.619 -6.744 2.991 158 HZ3 LYS 19 2HZ LYS 19 9.658 -5.158 3.458 159 H GLN 20 H GLN 20 0.797 -3.840 4.084 160 HA GLN 20 HA GLN 20 0.259 -1.190 5.215 161 HB2 GLN 20 1HB GLN 20 -1.354 -2.818 4.047 162 HB3 GLN 20 2HB GLN 20 -1.414 -3.745 5.550 163 HG2 GLN 20 1HG GLN 20 -2.217 -1.502 6.694 164 HG3 GLN 20 2HG GLN 20 -2.300 -0.818 5.072 165 HE21 GLN 20 1HE2 GLN 20 -4.615 -0.504 5.593 166 HE22 GLN 20 2HE2 GLN 20 -5.692 -1.983 5.580 167 H ASN 21 H ASN 21 2.248 -1.652 6.502 168 HA ASN 21 HA ASN 21 1.703 -1.075 9.289 169 HB2 ASN 21 1HB ASN 21 1.337 -3.543 9.567 170 HB3 ASN 21 2HB ASN 21 2.937 -3.880 8.957 171 HD21 ASN 21 1HD2 ASN 21 1.671 -1.530 11.499 172 HD22 ASN 21 2HD2 ASN 21 2.786 -2.296 12.732 173 H ALA 22 H ALA 22 4.348 -2.417 7.188 174 HA ALA 22 HA ALA 22 6.327 -0.492 8.296 175 HB1 ALA 22 3HB ALA 22 7.844 -1.249 6.519 176 HB2 ALA 22 1HB ALA 22 7.066 -2.644 7.283 177 HB3 ALA 22 2HB ALA 22 6.537 -2.092 5.675 178 H VAL 23 H VAL 23 4.114 -0.244 5.457 179 HA VAL 23 HA VAL 23 5.059 2.467 4.714 180 HB VAL 23 HB VAL 23 2.273 1.231 4.246 181 HG11 VAL 23 1HG1 VAL 23 2.189 2.987 2.340 182 HG12 VAL 23 2HG1 VAL 23 2.067 3.670 3.979 183 HG13 VAL 23 3HG1 VAL 23 3.592 3.787 3.084 184 HG21 VAL 23 3HG2 VAL 23 3.141 0.893 1.868 185 HG22 VAL 23 1HG2 VAL 23 4.779 1.346 2.428 186 HG23 VAL 23 2HG2 VAL 23 4.009 -0.100 3.072 187 H GLU 24 H GLU 24 2.639 1.390 7.062 188 HA GLU 24 HA GLU 24 1.930 4.012 8.197 189 HB2 GLU 24 1HB GLU 24 0.617 2.023 8.568 190 HB3 GLU 24 2HB GLU 24 1.986 1.115 9.170 191 HG2 GLU 24 1HG GLU 24 2.017 2.570 11.273 192 HG3 GLU 24 2HG GLU 24 0.542 3.351 10.700 193 H GLN 25 H GLN 25 4.527 1.721 9.140 194 HA GLN 25 HA GLN 25 5.635 3.631 11.095 195 HB2 GLN 25 1HB GLN 25 6.834 1.981 11.956 196 HB3 GLN 25 2HB GLN 25 5.653 1.024 11.136 197 HG2 GLN 25 1HG GLN 25 7.312 -0.181 10.301 198 HG3 GLN 25 2HG GLN 25 7.671 1.093 9.163 199 HE21 GLN 25 1HE2 GLN 25 9.130 2.930 10.524 200 HE22 GLN 25 2HE2 GLN 25 10.574 2.063 11.268 201 H LEU 26 H LEU 26 6.551 3.222 7.731 202 HA LEU 26 HA LEU 26 9.244 3.846 7.886 203 HG LEU 26 HG LEU 26 6.267 4.302 5.596 204 HB2 LEU 26 1HB LEU 26 9.347 4.352 5.546 205 HB3 LEU 26 2HB LEU 26 8.402 2.951 5.971 206 HD11 LEU 26 1HD1 LEU 26 8.135 6.289 4.155 207 HD12 LEU 26 2HD1 LEU 26 6.355 6.255 4.080 208 HD13 LEU 26 3HD1 LEU 26 7.155 6.648 5.592 209 HD21 LEU 26 3HD2 LEU 26 8.183 3.913 3.182 210 HD22 LEU 26 1HD2 LEU 26 7.222 2.623 3.938 211 HD23 LEU 26 2HD2 LEU 26 6.405 3.958 3.112 212 H GLN 27 H GLN 27 7.043 6.338 8.391 213 HA GLN 27 HA GLN 27 7.299 8.715 8.677 214 HB2 GLN 27 1HB GLN 27 7.943 7.254 10.636 215 HB3 GLN 27 2HB GLN 27 9.638 7.524 10.247 216 HG2 GLN 27 1HG GLN 27 9.324 10.020 10.667 217 HG3 GLN 27 2HG GLN 27 7.603 9.769 10.903 218 HE21 GLN 27 1HE2 GLN 27 10.656 8.438 12.157 219 HE22 GLN 27 2HE2 GLN 27 10.023 8.371 13.884 220 H VAL 28 H VAL 28 8.233 8.461 6.224 221 HA VAL 28 HA VAL 28 10.762 10.041 5.919 222 HB VAL 28 HB VAL 28 8.707 9.015 3.854 223 HG11 VAL 28 1HG1 VAL 28 9.819 10.989 2.804 224 HG12 VAL 28 2HG1 VAL 28 11.427 10.399 3.285 225 HG13 VAL 28 3HG1 VAL 28 10.453 9.505 2.091 226 HG21 VAL 28 3HG2 VAL 28 11.614 8.074 4.439 227 HG22 VAL 28 1HG2 VAL 28 10.167 7.234 5.018 228 HG23 VAL 28 2HG2 VAL 28 10.468 7.353 3.278 229 H GLY 29 H GLY 29 10.920 12.170 5.815 230 HA2 GLY 29 1HA GLY 29 8.494 13.968 5.152 231 HA3 GLY 29 2HA GLY 29 9.498 14.300 6.535 232 H GLN 30 H GLN 30 10.288 13.398 3.211 233 HA GLN 30 HA GLN 30 11.922 15.973 2.890 234 HB2 GLN 30 1HB GLN 30 13.176 13.890 3.701 235 HB3 GLN 30 2HB GLN 30 12.857 13.121 2.148 236 HG2 GLN 30 1HG GLN 30 14.128 14.960 0.964 237 HG3 GLN 30 2HG GLN 30 14.358 15.824 2.471 238 HE21 GLN 30 1HE2 GLN 30 15.676 14.663 4.151 239 HE22 GLN 30 2HE2 GLN 30 17.011 13.575 3.491 240 H SER 31 H SER 31 10.326 13.406 0.885 241 HA SER 31 HA SER 31 10.003 15.359 -1.334 242 HG SER 31 HG SER 31 12.291 15.610 -0.922 243 HB2 SER 31 1HB SER 31 12.093 13.128 -1.697 244 HB3 SER 31 2HB SER 31 11.405 14.066 -3.033 245 H LYS 32 H LYS 32 8.716 14.726 -2.997 246 HA LYS 32 HA LYS 32 6.818 12.496 -2.386 247 HB2 LYS 32 1HB LYS 32 5.378 13.182 -4.032 248 HB3 LYS 32 2HB LYS 32 5.965 14.618 -3.219 249 HG2 LYS 32 1HG LYS 32 7.511 15.034 -5.254 250 HG3 LYS 32 2HG LYS 32 6.821 13.633 -6.021 251 HD2 LYS 32 1HD LYS 32 5.700 15.513 -6.952 252 HD3 LYS 32 2HD LYS 32 4.549 14.596 -6.013 253 HE2 LYS 32 1HE LYS 32 4.049 16.896 -5.598 254 HE3 LYS 32 2HE LYS 32 4.731 16.292 -4.111 255 HZ1 LYS 32 3HZ LYS 32 7.049 17.293 -5.255 256 HZ2 LYS 32 1HZ LYS 32 5.920 18.287 -5.945 257 HZ3 LYS 32 2HZ LYS 32 5.996 18.178 -4.317 258 H GLN 33 H GLN 33 9.199 13.092 -4.857 259 HA GLN 33 HA GLN 33 8.868 10.542 -6.301 260 HB2 GLN 33 1HB GLN 33 10.888 11.208 -7.528 261 HB3 GLN 33 2HB GLN 33 9.753 12.524 -7.372 262 HG2 GLN 33 1HG GLN 33 11.393 13.135 -5.191 263 HG3 GLN 33 2HG GLN 33 12.522 12.182 -6.115 264 HE21 GLN 33 1HE2 GLN 33 10.878 15.250 -5.891 265 HE22 GLN 33 2HE2 GLN 33 11.710 15.928 -7.386 266 H GLN 34 H GLN 34 10.758 11.267 -3.454 267 HA GLN 34 HA GLN 34 12.254 8.652 -3.510 268 HB2 GLN 34 1HB GLN 34 11.684 10.579 -1.154 269 HB3 GLN 34 2HB GLN 34 12.673 9.130 -1.035 270 HG2 GLN 34 1HG GLN 34 14.361 10.042 -2.603 271 HG3 GLN 34 2HG GLN 34 13.393 11.485 -2.893 272 HE21 GLN 34 1HE2 GLN 34 15.958 11.737 -1.976 273 HE22 GLN 34 2HE2 GLN 34 15.837 12.394 -0.250 274 H VAL 35 H VAL 35 9.385 9.822 -1.633 275 HA VAL 35 HA VAL 35 8.889 7.122 -0.527 276 HB VAL 35 HB VAL 35 8.292 9.214 0.652 277 HG11 VAL 35 1HG1 VAL 35 7.148 10.522 -1.191 278 HG12 VAL 35 2HG1 VAL 35 5.789 9.392 -1.157 279 HG13 VAL 35 3HG1 VAL 35 6.164 10.382 0.273 280 HG21 VAL 35 3HG2 VAL 35 7.394 7.005 1.374 281 HG22 VAL 35 1HG2 VAL 35 6.255 8.319 1.722 282 HG23 VAL 35 2HG2 VAL 35 5.959 7.225 0.351 283 H SER 36 H SER 36 7.546 8.809 -3.354 284 HA SER 36 HA SER 36 5.675 6.592 -4.024 285 HG SER 36 HG SER 36 4.060 7.786 -5.391 286 HB2 SER 36 1HB SER 36 5.656 9.185 -4.748 287 HB3 SER 36 2HB SER 36 6.698 8.655 -6.062 288 H ALA 37 H ALA 37 9.036 7.243 -5.044 289 HA ALA 37 HA ALA 37 9.167 4.874 -6.837 290 HB1 ALA 37 3HB ALA 37 11.664 5.248 -6.672 291 HB2 ALA 37 1HB ALA 37 10.823 6.783 -6.962 292 HB3 ALA 37 2HB ALA 37 11.420 6.399 -5.337 293 H LEU 38 H LEU 38 10.007 5.310 -3.378 294 HA LEU 38 HA LEU 38 10.805 2.472 -2.964 295 HG LEU 38 HG LEU 38 12.449 2.730 -1.107 296 HB2 LEU 38 1HB LEU 38 10.175 4.832 -1.102 297 HB3 LEU 38 2HB LEU 38 10.128 3.226 -0.425 298 HD11 LEU 38 1HD1 LEU 38 12.774 4.331 -3.048 299 HD12 LEU 38 2HD1 LEU 38 12.644 5.711 -1.939 300 HD13 LEU 38 3HD1 LEU 38 13.996 4.568 -1.793 301 HD21 LEU 38 3HD2 LEU 38 13.480 4.210 0.644 302 HD22 LEU 38 1HD2 LEU 38 12.075 5.301 0.580 303 HD23 LEU 38 2HD2 LEU 38 11.890 3.631 1.168 304 H LEU 39 H LEU 39 7.658 4.079 -2.496 305 HA LEU 39 HA LEU 39 6.210 1.561 -1.843 306 HG LEU 39 HG LEU 39 6.114 4.238 -0.533 307 HB2 LEU 39 1HB LEU 39 5.338 4.283 -3.012 308 HB3 LEU 39 2HB LEU 39 4.184 3.033 -2.628 309 HD11 LEU 39 1HD1 LEU 39 4.665 6.026 -1.370 310 HD12 LEU 39 2HD1 LEU 39 3.215 5.015 -1.240 311 HD13 LEU 39 3HD1 LEU 39 4.067 5.515 0.229 312 HD21 LEU 39 3HD2 LEU 39 3.499 2.671 -0.053 313 HD22 LEU 39 1HD2 LEU 39 5.113 1.929 0.044 314 HD23 LEU 39 2HD2 LEU 39 4.684 3.226 1.144 315 H GLY 40 H GLY 40 6.924 3.158 -4.910 316 HA2 GLY 40 1HA GLY 40 7.265 1.867 -7.018 317 HA3 GLY 40 2HA GLY 40 6.256 0.569 -6.411 318 H THR 41 H THR 41 5.968 4.059 -7.165 319 HA THR 41 HA THR 41 3.579 3.664 -8.949 320 HB THR 41 HB THR 41 3.341 5.144 -6.232 321 HG1 THR 41 HG1 THR 41 3.172 2.590 -6.787 322 HG21 THR 41 3HG2 THR 41 0.821 5.025 -6.739 323 HG22 THR 41 1HG2 THR 41 1.684 6.097 -7.847 324 HG23 THR 41 2HG2 THR 41 1.208 4.459 -8.366 325 HA PRO 42 HA PRO 42 5.229 7.910 -10.070 326 HB2 PRO 42 1HB PRO 42 3.338 8.713 -11.937 327 HB3 PRO 42 2HB PRO 42 4.544 7.445 -12.259 328 HG2 PRO 42 1HG PRO 42 1.633 7.053 -11.334 329 HG3 PRO 42 2HG PRO 42 2.423 6.287 -12.739 330 HD2 PRO 42 1HD PRO 42 2.232 5.001 -10.284 331 HD3 PRO 42 2HD PRO 42 3.680 4.764 -11.301 332 H SER 43 H SER 43 4.885 9.906 -9.201 333 HA SER 43 HA SER 43 2.573 10.271 -7.342 334 HG SER 43 HG SER 43 5.781 11.841 -8.323 335 HB2 SER 43 1HB SER 43 3.872 11.889 -6.213 336 HB3 SER 43 2HB SER 43 4.945 10.570 -6.636 337 H ILE 44 H ILE 44 3.200 13.334 -7.819 338 HA ILE 44 HA ILE 44 1.604 13.816 -10.333 339 HB ILE 44 HB ILE 44 0.729 15.266 -7.753 340 HG12 ILE 44 1HG1 ILE 44 -0.815 13.386 -9.672 341 HG13 ILE 44 2HG1 ILE 44 -0.246 12.942 -8.071 342 HG21 ILE 44 1HG2 ILE 44 0.812 16.838 -9.754 343 HG22 ILE 44 2HG2 ILE 44 -0.140 15.679 -10.713 344 HG23 ILE 44 3HG2 ILE 44 -0.852 16.506 -9.303 345 HD11 ILE 44 3HD1 ILE 44 -2.440 15.012 -8.678 346 HD12 ILE 44 1HD1 ILE 44 -2.593 13.459 -7.847 347 HD13 ILE 44 2HD1 ILE 44 -1.717 14.812 -7.071 348 HA PRO 45 HA PRO 45 5.368 16.560 -9.892 349 HB2 PRO 45 1HB PRO 45 6.824 15.783 -12.061 350 HB3 PRO 45 2HB PRO 45 6.601 14.718 -10.654 351 HG2 PRO 45 1HG PRO 45 5.007 14.674 -13.295 352 HG3 PRO 45 2HG PRO 45 5.825 13.294 -12.515 353 HD2 PRO 45 1HD PRO 45 3.096 13.881 -12.149 354 HD3 PRO 45 2HD PRO 45 4.073 13.059 -10.895 355 H ASP 46 H ASP 46 3.498 18.071 -10.219 356 HA ASP 46 HA ASP 46 3.089 19.233 -12.905 357 HB2 ASP 46 1HB ASP 46 1.254 19.133 -11.353 358 HB3 ASP 46 2HB ASP 46 2.093 20.115 -10.161 359 HA PRO 47 HA PRO 47 6.519 22.391 -12.330 360 HB2 PRO 47 1HB PRO 47 6.481 23.473 -14.871 361 HB3 PRO 47 2HB PRO 47 7.168 21.876 -14.500 362 HG2 PRO 47 1HG PRO 47 4.343 22.470 -15.580 363 HG3 PRO 47 2HG PRO 47 5.535 21.328 -16.256 364 HD2 PRO 47 1HD PRO 47 3.497 20.551 -14.517 365 HD3 PRO 47 2HD PRO 47 5.074 19.699 -14.501 366 H PHE 48 H PHE 48 3.099 22.925 -12.783 367 HA PHE 48 HA PHE 48 3.322 25.917 -12.309 368 HD1 PHE 48 HD1 PHE 48 0.981 26.779 -10.534 369 HD2 PHE 48 HD2 PHE 48 0.127 26.223 -14.721 370 HE1 PHE 48 HE1 PHE 48 -0.283 28.884 -10.562 371 HE2 PHE 48 HE2 PHE 48 -1.119 28.336 -14.737 372 HZ PHE 48 HZ PHE 48 -1.334 29.676 -12.663 373 HB2 PHE 48 1HB PHE 48 1.499 24.652 -13.700 374 HB3 PHE 48 2HB PHE 48 0.785 24.192 -12.193 375 H HIS 49 H HIS 49 1.726 23.261 -10.372 376 HA HIS 49 HA HIS 49 3.582 23.933 -8.119 377 HD1 HIS 49 HD1 HIS 49 2.746 22.628 -5.465 378 HD2 HIS 49 HD2 HIS 49 1.372 26.687 -5.454 379 HE1 HIS 49 HE1 HIS 49 2.915 23.631 -3.098 380 HB2 HIS 49 1HB HIS 49 1.625 25.573 -7.850 381 HB3 HIS 49 2HB HIS 49 0.561 24.209 -7.546 382 H ALA 50 H ALA 50 4.266 21.757 -8.376 383 HA ALA 50 HA ALA 50 2.658 19.454 -8.075 384 HB1 ALA 50 3HB ALA 50 5.016 19.562 -8.846 385 HB2 ALA 50 1HB ALA 50 5.581 19.845 -7.188 386 HB3 ALA 50 2HB ALA 50 4.758 18.319 -7.640 387 H GLN 51 H GLN 51 1.123 19.994 -6.578 388 HA GLN 51 HA GLN 51 1.575 20.284 -3.662 389 HB2 GLN 51 1HB GLN 51 -0.947 19.700 -5.376 390 HB3 GLN 51 2HB GLN 51 -1.015 20.078 -3.665 391 HG2 GLN 51 1HG GLN 51 -0.000 22.319 -4.016 392 HG3 GLN 51 2HG GLN 51 0.047 22.040 -5.756 393 HE21 GLN 51 1HE2 GLN 51 -1.226 24.126 -5.273 394 HE22 GLN 51 2HE2 GLN 51 -3.052 23.883 -5.278 395 H ARG 52 H ARG 52 -0.517 18.658 -2.664 396 HA ARG 52 HA ARG 52 0.542 16.144 -1.913 397 HE ARG 52 HE ARG 52 -5.187 16.479 -3.490 398 HB2 ARG 52 1HB ARG 52 -1.519 15.607 -1.030 399 HB3 ARG 52 2HB ARG 52 -1.434 17.338 -0.928 400 HG2 ARG 52 1HG ARG 52 -3.078 15.550 -2.796 401 HG3 ARG 52 2HG ARG 52 -3.657 16.437 -1.408 402 HD2 ARG 52 1HD ARG 52 -3.335 18.634 -2.595 403 HD3 ARG 52 2HD ARG 52 -2.623 17.782 -3.998 404 HH11 ARG 52 2HH2 ARG 52 -4.104 19.628 -4.660 405 HH12 ARG 52 1HH2 ARG 52 -5.557 19.695 -5.757 406 HH21 ARG 52 2HH1 ARG 52 -6.648 16.607 -4.631 407 HH22 ARG 52 1HH1 ARG 52 -6.993 18.044 -5.748 408 H TRP 53 H TRP 53 0.176 14.051 -2.540 409 HA TRP 53 HA TRP 53 -0.221 13.500 -5.553 410 HD1 TRP 53 HD1 TRP 53 -0.651 10.700 -6.424 411 HE1 TRP 53 HE1 TRP 53 -0.230 8.128 -6.571 412 HE3 TRP 53 HE3 TRP 53 3.254 10.525 -3.087 413 HZ2 TRP 53 HZ2 TRP 53 1.342 6.332 -5.019 414 HZ3 TRP 53 HZ3 TRP 53 4.083 8.296 -2.369 415 HH2 TRP 53 HH2 TRP 53 3.144 6.240 -3.319 416 HB2 TRP 53 1HB TRP 53 1.910 12.732 -4.823 417 HB3 TRP 53 2HB TRP 53 1.249 12.049 -3.330 418 H ASP 54 H ASP 54 -2.339 13.338 -5.755 419 HA ASP 54 HA ASP 54 -4.047 12.138 -3.557 420 HB2 ASP 54 1HB ASP 54 -4.027 14.645 -4.525 421 HB3 ASP 54 2HB ASP 54 -5.034 14.001 -5.788 422 H TYR 55 H TYR 55 -3.298 10.038 -4.740 423 HA TYR 55 HA TYR 55 -5.267 9.230 -6.933 424 HD1 TYR 55 HD1 TYR 55 -3.222 10.541 -7.798 425 HD2 TYR 55 HD2 TYR 55 -1.873 6.437 -7.962 426 HE1 TYR 55 HE1 TYR 55 -1.596 11.140 -9.473 427 HE2 TYR 55 HE2 TYR 55 -0.249 7.073 -9.696 428 HH TYR 55 HH TYR 55 0.644 10.260 -10.237 429 HB2 TYR 55 1HB TYR 55 -2.888 7.730 -5.688 430 HB3 TYR 55 2HB TYR 55 -4.010 7.007 -6.819 431 H THR 56 H THR 56 -7.239 9.155 -5.827 432 HA THR 56 HA THR 56 -7.582 6.610 -4.118 433 HB THR 56 HB THR 56 -9.655 8.784 -4.666 434 HG1 THR 56 HG1 THR 56 -7.831 9.153 -3.192 435 HG21 THR 56 3HG2 THR 56 -10.927 7.557 -2.845 436 HG22 THR 56 1HG2 THR 56 -10.775 6.557 -4.304 437 HG23 THR 56 2HG2 THR 56 -9.745 6.225 -2.893 438 H SER 57 H SER 57 -6.825 5.473 -5.894 439 HA SER 57 HA SER 57 -8.671 5.165 -8.303 440 HG SER 57 HG SER 57 -5.378 4.730 -7.018 441 HB2 SER 57 1HB SER 57 -6.622 4.827 -9.575 442 HB3 SER 57 2HB SER 57 -6.495 6.311 -8.632 443 H THR 58 H THR 58 -9.188 3.186 -9.089 444 HA THR 58 HA THR 58 -7.899 0.705 -8.131 445 HB THR 58 HB THR 58 -9.210 1.009 -6.163 446 HG1 THR 58 HG1 THR 58 -8.963 -1.104 -7.179 447 HG21 THR 58 3HG2 THR 58 -11.804 1.035 -7.832 448 HG22 THR 58 1HG2 THR 58 -11.677 0.894 -6.061 449 HG23 THR 58 2HG2 THR 58 -11.132 2.365 -6.893 450 H GLN 59 H GLN 59 -8.166 -0.976 -9.362 451 HA GLN 59 HA GLN 59 -10.087 -0.887 -11.765 452 HB2 GLN 59 1HB GLN 59 -7.053 -1.418 -11.949 453 HB3 GLN 59 2HB GLN 59 -8.207 -1.725 -13.241 454 HG2 GLN 59 1HG GLN 59 -8.803 0.730 -13.352 455 HG3 GLN 59 2HG GLN 59 -7.711 1.070 -12.023 456 HE21 GLN 59 1HE2 GLN 59 -7.852 0.451 -15.429 457 HE22 GLN 59 2HE2 GLN 59 -6.041 0.700 -15.664 458 H ARG 60 H ARG 60 -11.183 -2.737 -11.825 459 HA ARG 60 HA ARG 60 -10.196 -5.263 -10.439 460 HE ARG 60 HE ARG 60 -14.290 -2.206 -10.755 461 HB2 ARG 60 1HB ARG 60 -12.871 -4.517 -11.772 462 HB3 ARG 60 2HB ARG 60 -12.509 -6.141 -11.267 463 HG2 ARG 60 1HG ARG 60 -12.961 -5.791 -9.121 464 HG3 ARG 60 2HG ARG 60 -11.861 -4.466 -8.968 465 HD2 ARG 60 1HD ARG 60 -14.807 -4.359 -9.881 466 HD3 ARG 60 2HD ARG 60 -14.197 -3.861 -8.323 467 HH11 ARG 60 2HH2 ARG 60 -12.305 -2.679 -7.976 468 HH12 ARG 60 1HH2 ARG 60 -11.504 -1.044 -8.113 469 HH21 ARG 60 2HH1 ARG 60 -13.437 -0.348 -10.936 470 HH22 ARG 60 1HH1 ARG 60 -12.075 0.178 -9.855 471 H VAL 61 H VAL 61 -8.381 -5.160 -12.033 472 HA VAL 61 HA VAL 61 -8.894 -6.424 -14.637 473 HB VAL 61 HB VAL 61 -7.284 -4.680 -14.339 474 HG11 VAL 61 1HG1 VAL 61 -5.290 -6.610 -12.981 475 HG12 VAL 61 2HG1 VAL 61 -5.034 -4.932 -13.476 476 HG13 VAL 61 3HG1 VAL 61 -6.137 -5.291 -12.145 477 HG21 VAL 61 3HG2 VAL 61 -5.558 -5.592 -15.856 478 HG22 VAL 61 1HG2 VAL 61 -6.009 -7.264 -15.444 479 HG23 VAL 61 2HG2 VAL 61 -7.167 -6.203 -16.284 480 H ASP 62 H ASP 62 -6.766 -7.704 -12.062 481 HA ASP 62 HA ASP 62 -7.359 -10.507 -13.034 482 HB2 ASP 62 1HB ASP 62 -5.032 -9.709 -12.557 483 HB3 ASP 62 2HB ASP 62 -5.440 -9.490 -10.866 484 H ARG 63 H ARG 63 -7.700 -12.085 -11.512 485 HA ARG 63 HA ARG 63 -9.774 -11.533 -9.323 486 HE ARG 63 HE ARG 63 -10.489 -10.811 -12.408 487 HB2 ARG 63 1HB ARG 63 -9.502 -14.296 -10.613 488 HB3 ARG 63 2HB ARG 63 -10.683 -13.734 -9.452 489 HG2 ARG 63 1HG ARG 63 -10.523 -13.204 -12.463 490 HG3 ARG 63 2HG ARG 63 -11.683 -14.121 -11.560 491 HD2 ARG 63 1HD ARG 63 -13.010 -12.335 -11.874 492 HD3 ARG 63 2HD ARG 63 -12.263 -11.714 -10.386 493 HH11 ARG 63 2HH2 ARG 63 -13.916 -10.427 -11.958 494 HH12 ARG 63 1HH2 ARG 63 -13.948 -8.921 -13.000 495 HH21 ARG 63 2HH1 ARG 63 -10.562 -9.096 -13.596 496 HH22 ARG 63 1HH1 ARG 63 -12.100 -8.162 -13.773 497 H LEU 64 H LEU 64 -6.916 -13.553 -10.241 498 HA LEU 64 HA LEU 64 -6.909 -14.821 -7.522 499 HG LEU 64 HG LEU 64 -4.393 -14.570 -10.339 500 HB2 LEU 64 1HB LEU 64 -5.151 -16.262 -8.222 501 HB3 LEU 64 2HB LEU 64 -6.571 -16.397 -9.201 502 HD11 LEU 64 1HD1 LEU 64 -3.059 -16.504 -11.162 503 HD12 LEU 64 2HD1 LEU 64 -3.028 -16.444 -9.392 504 HD13 LEU 64 3HD1 LEU 64 -4.053 -17.641 -10.220 505 HD21 LEU 64 3HD2 LEU 64 -5.051 -15.654 -12.461 506 HD22 LEU 64 1HD2 LEU 64 -6.112 -16.808 -11.617 507 HD23 LEU 64 2HD2 LEU 64 -6.503 -15.074 -11.645 508 H ALA 65 H ALA 65 -4.581 -12.684 -9.300 509 HA ALA 65 HA ALA 65 -3.297 -12.121 -6.569 510 HB1 ALA 65 3HB ALA 65 -1.840 -13.480 -8.035 511 HB2 ALA 65 1HB ALA 65 -1.923 -12.256 -9.323 512 HB3 ALA 65 2HB ALA 65 -1.154 -11.865 -7.765 513 H ARG 66 H ARG 66 -3.431 -10.365 -9.718 514 HA ARG 66 HA ARG 66 -2.878 -7.885 -7.977 515 HE ARG 66 HE ARG 66 -0.757 -6.417 -6.962 516 HB2 ARG 66 1HB ARG 66 -2.170 -8.584 -10.880 517 HB3 ARG 66 2HB ARG 66 -2.174 -6.922 -10.362 518 HG2 ARG 66 1HG ARG 66 -0.658 -8.822 -8.512 519 HG3 ARG 66 2HG ARG 66 -0.018 -8.655 -10.125 520 HD2 ARG 66 1HD ARG 66 1.075 -7.112 -8.578 521 HD3 ARG 66 2HD ARG 66 0.327 -6.248 -9.897 522 HH11 ARG 66 2HH2 ARG 66 -0.558 -4.597 -9.953 523 HH12 ARG 66 1HH2 ARG 66 -1.523 -3.196 -9.243 524 HH21 ARG 66 2HH1 ARG 66 -2.070 -4.977 -6.311 525 HH22 ARG 66 1HH1 ARG 66 -2.246 -3.375 -7.261 526 H THR 67 H THR 67 -5.180 -8.378 -7.647 527 HA THR 67 HA THR 67 -7.093 -6.669 -9.270 528 HB THR 67 HB THR 67 -7.418 -7.564 -6.333 529 HG1 THR 67 HG1 THR 67 -8.272 -8.855 -8.755 530 HG21 THR 67 3HG2 THR 67 -9.531 -6.726 -8.433 531 HG22 THR 67 1HG2 THR 67 -9.860 -7.380 -6.815 532 HG23 THR 67 2HG2 THR 67 -9.078 -5.801 -6.984 533 H GLU 68 H GLU 68 -6.776 -4.491 -9.342 534 HA GLU 68 HA GLU 68 -4.734 -3.351 -7.537 535 HB2 GLU 68 1HB GLU 68 -4.747 -3.178 -10.056 536 HB3 GLU 68 2HB GLU 68 -6.139 -2.110 -9.971 537 HG2 GLU 68 1HG GLU 68 -4.196 -0.725 -10.256 538 HG3 GLU 68 2HG GLU 68 -4.726 -0.437 -8.608 539 H ILE 69 H ILE 69 -5.321 -2.491 -5.654 540 HA ILE 69 HA ILE 69 -7.206 -0.080 -5.767 541 HB ILE 69 HB ILE 69 -6.485 -1.584 -3.189 542 HG12 ILE 69 1HG1 ILE 69 -9.143 -2.064 -3.256 543 HG13 ILE 69 2HG1 ILE 69 -8.926 -2.014 -4.995 544 HG21 ILE 69 1HG2 ILE 69 -7.075 0.866 -2.975 545 HG22 ILE 69 2HG2 ILE 69 -8.645 0.554 -3.757 546 HG23 ILE 69 3HG2 ILE 69 -8.244 -0.176 -2.192 547 HD11 ILE 69 3HD1 ILE 69 -8.762 -4.340 -4.171 548 HD12 ILE 69 1HD1 ILE 69 -7.154 -3.903 -4.733 549 HD13 ILE 69 2HD1 ILE 69 -7.502 -3.913 -2.997 550 H LYS 70 H LYS 70 -5.873 1.513 -6.183 551 HA LYS 70 HA LYS 70 -3.299 1.948 -4.563 552 HB2 LYS 70 1HB LYS 70 -3.952 2.722 -7.466 553 HB3 LYS 70 2HB LYS 70 -2.816 3.667 -6.506 554 HG2 LYS 70 1HG LYS 70 -1.393 1.705 -6.086 555 HG3 LYS 70 2HG LYS 70 -2.519 0.624 -6.888 556 HD2 LYS 70 1HD LYS 70 -2.098 1.606 -9.081 557 HD3 LYS 70 2HD LYS 70 -1.318 3.025 -8.402 558 HE2 LYS 70 1HE LYS 70 0.371 1.597 -9.397 559 HE3 LYS 70 2HE LYS 70 0.660 1.739 -7.664 560 HZ1 LYS 70 3HZ LYS 70 -0.353 -0.517 -7.360 561 HZ2 LYS 70 1HZ LYS 70 -0.809 -0.649 -8.896 562 HZ3 LYS 70 2HZ LYS 70 0.820 -0.665 -8.519 563 H ASN 71 H ASN 71 -4.718 2.531 -2.984 564 HA ASN 71 HA ASN 71 -6.148 5.246 -3.226 565 HB2 ASN 71 1HB ASN 71 -6.680 2.829 -1.392 566 HB3 ASN 71 2HB ASN 71 -7.166 4.429 -0.926 567 HD21 ASN 71 1HD2 ASN 71 -7.467 3.341 -4.343 568 HD22 ASN 71 2HD2 ASN 71 -9.302 3.404 -4.198 569 H PHE 72 H PHE 72 -4.521 6.576 -2.897 570 HA PHE 72 HA PHE 72 -3.343 6.828 -0.120 571 HD1 PHE 72 HD2 PHE 72 -1.657 4.995 0.889 572 HD2 PHE 72 HD1 PHE 72 0.539 7.795 -1.541 573 HE1 PHE 72 HE2 PHE 72 0.172 4.995 2.534 574 HE2 PHE 72 HE1 PHE 72 2.365 7.783 0.119 575 HZ PHE 72 HZ PHE 72 2.193 6.378 2.151 576 HB2 PHE 72 1HB PHE 72 -1.907 5.201 -1.708 577 HB3 PHE 72 2HB PHE 72 -1.388 6.650 -2.507 578 H THR 73 H THR 73 -4.261 8.810 0.138 579 HA THR 73 HA THR 73 -3.443 11.087 -1.749 580 HB THR 73 HB THR 73 -5.617 11.011 0.373 581 HG1 THR 73 HG1 THR 73 -6.010 11.949 -2.225 582 HG21 THR 73 3HG2 THR 73 -6.110 13.367 -0.393 583 HG22 THR 73 1HG2 THR 73 -4.528 13.292 0.412 584 HG23 THR 73 2HG2 THR 73 -4.609 13.384 -1.352 585 H VAL 74 H VAL 74 -1.433 11.567 -1.233 586 HA VAL 74 HA VAL 74 -0.656 11.891 1.713 587 HB VAL 74 HB VAL 74 0.396 9.963 0.888 588 HG11 VAL 74 1HG1 VAL 74 2.190 9.970 -0.851 589 HG12 VAL 74 2HG1 VAL 74 0.607 10.343 -1.557 590 HG13 VAL 74 3HG1 VAL 74 1.776 11.646 -1.276 591 HG21 VAL 74 3HG2 VAL 74 1.710 11.439 2.518 592 HG22 VAL 74 1HG2 VAL 74 2.749 10.424 1.499 593 HG23 VAL 74 2HG2 VAL 74 2.563 12.157 1.140 594 H PHE 75 H PHE 75 0.048 13.650 2.430 595 HA PHE 75 HA PHE 75 -0.237 16.049 0.648 596 HD1 PHE 75 HD2 PHE 75 -2.392 17.813 1.413 597 HD2 PHE 75 HD1 PHE 75 -2.213 14.126 3.624 598 HE1 PHE 75 HE2 PHE 75 -4.795 17.455 1.022 599 HE2 PHE 75 HE1 PHE 75 -4.621 13.783 3.240 600 HZ PHE 75 HZ PHE 75 -5.923 15.449 1.948 601 HB2 PHE 75 1HB PHE 75 -0.283 15.721 3.711 602 HB3 PHE 75 2HB PHE 75 -0.405 17.272 2.912 603 H PHE 76 H PHE 76 1.257 17.442 0.152 604 HA PHE 76 HA PHE 76 3.973 17.414 1.541 605 HD1 PHE 76 HD1 PHE 76 5.767 15.431 0.533 606 HD2 PHE 76 HD2 PHE 76 2.671 15.840 -2.415 607 HE1 PHE 76 HE1 PHE 76 5.765 12.966 0.138 608 HE2 PHE 76 HE2 PHE 76 2.723 13.449 -2.800 609 HZ PHE 76 HZ PHE 76 4.239 11.979 -1.478 610 HB2 PHE 76 1HB PHE 76 3.598 17.828 -1.486 611 HB3 PHE 76 2HB PHE 76 5.099 17.742 -0.590 612 H GLU 77 H GLU 77 5.089 19.370 1.562 613 HA GLU 77 HA GLU 77 3.509 21.919 1.515 614 HB2 GLU 77 1HB GLU 77 5.300 21.453 3.152 615 HB3 GLU 77 2HB GLU 77 6.495 21.255 1.879 616 HG2 GLU 77 1HG GLU 77 6.116 23.767 1.260 617 HG3 GLU 77 2HG GLU 77 5.099 23.889 2.697 618 H ASN 78 H ASN 78 6.424 21.159 -0.194 619 HA ASN 78 HA ASN 78 4.871 21.047 -2.732 620 HB2 ASN 78 1HB ASN 78 6.227 23.205 -2.932 621 HB3 ASN 78 2HB ASN 78 7.702 22.260 -2.911 622 HD21 ASN 78 1HD2 ASN 78 5.696 23.746 -4.996 623 HD22 ASN 78 2HD2 ASN 78 6.012 22.654 -6.444 624 H GLU 79 H GLU 79 8.237 20.359 -1.608 625 HA GLU 79 HA GLU 79 7.809 17.447 -2.427 626 HB2 GLU 79 1HB GLU 79 10.343 19.094 -1.870 627 HB3 GLU 79 2HB GLU 79 10.405 17.364 -1.832 628 HG2 GLU 79 1HG GLU 79 9.611 19.054 -4.266 629 HG3 GLU 79 2HG GLU 79 11.106 18.173 -4.014 630 H GLN 80 H GLN 80 8.425 19.282 0.608 631 HA GLN 80 HA GLN 80 9.182 16.756 1.991 632 HB2 GLN 80 1HB GLN 80 9.523 17.895 3.998 633 HB3 GLN 80 2HB GLN 80 10.337 18.706 2.677 634 HG2 GLN 80 1HG GLN 80 8.590 20.530 2.669 635 HG3 GLN 80 2HG GLN 80 7.690 19.714 3.940 636 HE21 GLN 80 1HE2 GLN 80 9.194 22.361 3.804 637 HE22 GLN 80 2HE2 GLN 80 10.171 22.258 5.362 638 H VAL 81 H VAL 81 8.092 15.489 3.301 639 HA VAL 81 HA VAL 81 5.207 15.424 2.702 640 HB VAL 81 HB VAL 81 6.410 13.292 4.519 641 HG11 VAL 81 1HG1 VAL 81 4.005 13.130 4.019 642 HG12 VAL 81 2HG1 VAL 81 4.298 13.239 2.274 643 HG13 VAL 81 3HG1 VAL 81 4.856 11.820 3.192 644 HG21 VAL 81 3HG2 VAL 81 7.023 11.990 2.329 645 HG22 VAL 81 1HG2 VAL 81 7.180 13.600 1.562 646 HG23 VAL 81 2HG2 VAL 81 8.165 13.170 2.945 647 H VAL 82 H VAL 82 3.545 15.892 3.880 648 HA VAL 82 HA VAL 82 3.802 16.637 6.831 649 HB VAL 82 HB VAL 82 1.443 17.047 4.882 650 HG11 VAL 82 1HG1 VAL 82 1.798 18.095 7.780 651 HG12 VAL 82 2HG1 VAL 82 0.487 18.535 6.659 652 HG13 VAL 82 3HG1 VAL 82 0.612 16.878 7.261 653 HG21 VAL 82 3HG2 VAL 82 3.379 18.572 4.330 654 HG22 VAL 82 1HG2 VAL 82 2.027 19.480 5.017 655 HG23 VAL 82 2HG2 VAL 82 3.455 19.116 6.019 656 H ARG 83 H ARG 83 1.392 14.688 4.941 657 HA ARG 83 HA ARG 83 1.861 12.335 6.598 658 HE ARG 83 HE ARG 83 -2.094 11.192 7.975 659 HB2 ARG 83 1HB ARG 83 -0.089 12.042 7.872 660 HB3 ARG 83 2HB ARG 83 0.571 13.583 8.323 661 HG2 ARG 83 1HG ARG 83 -1.174 14.850 7.283 662 HG3 ARG 83 2HG ARG 83 -1.703 13.557 6.233 663 HD2 ARG 83 1HD ARG 83 -2.028 13.479 9.307 664 HD3 ARG 83 2HD ARG 83 -3.247 14.056 8.179 665 HH11 ARG 83 2HH2 ARG 83 -4.950 13.211 7.990 666 HH12 ARG 83 1HH2 ARG 83 -5.978 11.787 7.414 667 HH21 ARG 83 2HH1 ARG 83 -3.302 9.670 7.375 668 HH22 ARG 83 1HH1 ARG 83 -5.119 9.887 7.273 669 H TRP 84 H TRP 84 0.610 10.480 6.075 670 HA TRP 84 HA TRP 84 -0.685 10.581 3.324 671 HD1 TRP 84 HD1 TRP 84 0.233 6.078 4.992 672 HE1 TRP 84 HE1 TRP 84 2.368 5.367 6.371 673 HE3 TRP 84 HE3 TRP 84 2.993 10.362 4.298 674 HZ2 TRP 84 HZ2 TRP 84 4.734 6.629 7.149 675 HZ3 TRP 84 HZ3 TRP 84 5.257 10.485 5.318 676 HH2 TRP 84 HH2 TRP 84 6.106 8.674 6.700 677 HB2 TRP 84 1HB TRP 84 -0.298 8.096 3.219 678 HB3 TRP 84 2HB TRP 84 1.021 9.197 2.974 679 H GLU 85 H GLU 85 -2.719 10.286 3.031 680 HA GLU 85 HA GLU 85 -4.434 8.842 5.120 681 HB2 GLU 85 1HB GLU 85 -4.871 11.344 4.515 682 HB3 GLU 85 2HB GLU 85 -5.309 10.807 2.907 683 HG2 GLU 85 1HG GLU 85 -7.385 11.017 4.042 684 HG3 GLU 85 2HG GLU 85 -7.137 9.278 4.057 685 H GLY 86 H GLY 86 -4.362 6.756 4.478 686 HA2 GLY 86 1HA GLY 86 -5.958 5.629 2.522 687 HA3 GLY 86 2HA GLY 86 -4.500 5.947 1.581 688 H ASP 87 H ASP 87 -4.235 3.826 1.157 689 HA ASP 87 HA ASP 87 -3.329 1.946 3.374 690 HB2 ASP 87 1HB ASP 87 -5.771 1.384 1.549 691 HB3 ASP 87 2HB ASP 87 -4.899 0.137 2.418 692 H TYR 88 H TYR 88 -4.153 2.007 -0.086 693 HA TYR 88 HA TYR 88 -3.373 0.746 -1.927 694 HD1 TYR 88 HD1 TYR 88 -0.349 2.809 -0.326 695 HD2 TYR 88 HD2 TYR 88 -0.871 0.595 -3.977 696 HE1 TYR 88 HE1 TYR 88 1.173 4.330 -1.469 697 HE2 TYR 88 HE2 TYR 88 0.644 2.145 -5.126 698 HH TYR 88 HH TYR 88 2.110 3.761 -4.900 699 HB2 TYR 88 1HB TYR 88 -0.785 0.308 -0.368 700 HB3 TYR 88 2HB TYR 88 -1.147 -0.468 -1.874 701 H PHE 89 H PHE 89 -4.553 -0.972 -2.193 702 HA PHE 89 HA PHE 89 -5.999 -2.734 -1.444 703 HD1 PHE 89 HD2 PHE 89 -2.378 -2.846 -3.489 704 HD2 PHE 89 HD1 PHE 89 -3.213 -5.956 -0.631 705 HE1 PHE 89 HE2 PHE 89 -0.015 -3.570 -3.570 706 HE2 PHE 89 HE1 PHE 89 -0.858 -6.668 -0.725 707 HZ PHE 89 HZ PHE 89 0.747 -5.479 -2.184 708 HB2 PHE 89 1HB PHE 89 -5.059 -4.846 -1.928 709 HB3 PHE 89 2HB PHE 89 -4.703 -3.614 -3.092 710 HA PRO 90 HA PRO 90 -5.322 -3.008 3.087 711 HB2 PRO 90 1HB PRO 90 -7.792 -2.189 4.023 712 HB3 PRO 90 2HB PRO 90 -6.512 -1.144 3.452 713 HG2 PRO 90 1HG PRO 90 -8.901 -2.144 1.790 714 HG3 PRO 90 2HG PRO 90 -8.376 -0.448 2.008 715 HD2 PRO 90 1HD PRO 90 -7.619 -1.894 -0.197 716 HD3 PRO 90 2HD PRO 90 -6.450 -0.783 0.563 717 H SER 91 H SER 91 -5.389 -5.165 1.931 718 HA SER 91 HA SER 91 -6.138 -6.949 4.106 719 HG SER 91 HG SER 91 -6.816 -9.570 2.899 720 HB2 SER 91 1HB SER 91 -8.329 -7.094 2.725 721 HB3 SER 91 2HB SER 91 -7.405 -7.864 1.429 722 H GLN 92 H GLN 92 -3.983 -7.281 4.177 723 HA GLN 92 HA GLN 92 -2.301 -7.205 1.792 724 HB2 GLN 92 1HB GLN 92 -1.851 -6.253 4.104 725 HB3 GLN 92 2HB GLN 92 -1.457 -7.871 4.666 726 HG2 GLN 92 1HG GLN 92 0.572 -6.623 4.186 727 HG3 GLN 92 2HG GLN 92 0.473 -8.011 3.136 728 HE21 GLN 92 1HE2 GLN 92 -1.026 -4.771 2.689 729 HE22 GLN 92 2HE2 GLN 92 -0.093 -4.500 1.145 730 H ASP 93 H ASP 93 -3.533 -8.997 0.980 731 HA ASP 93 HA ASP 93 -2.055 -11.660 1.034 732 HB2 ASP 93 1HB ASP 93 -4.274 -12.796 1.283 733 HB3 ASP 93 2HB ASP 93 -3.797 -11.827 2.648 734 H GLU 94 H GLU 94 -1.880 -9.795 -0.999 735 HA GLU 94 HA GLU 94 -3.703 -10.374 -3.203 736 HB2 GLU 94 1HB GLU 94 -2.522 -8.186 -2.559 737 HB3 GLU 94 2HB GLU 94 -1.041 -8.816 -3.283 738 HG2 GLU 94 1HG GLU 94 -2.354 -9.013 -5.513 739 HG3 GLU 94 2HG GLU 94 -3.725 -8.242 -4.726 740 H GLN 95 H GLN 95 -2.776 -12.797 -2.765 741 HA GLN 95 HA GLN 95 -2.102 -13.704 -5.492 742 HB2 GLN 95 1HB GLN 95 0.247 -13.069 -4.479 743 HB3 GLN 95 2HB GLN 95 0.093 -14.468 -3.448 744 HG2 GLN 95 1HG GLN 95 0.055 -14.437 -6.555 745 HG3 GLN 95 2HG GLN 95 1.449 -14.746 -5.559 746 HE21 GLN 95 1HE2 GLN 95 -1.349 -16.208 -6.925 747 HE22 GLN 95 2HE2 GLN 95 -0.997 -17.869 -6.230 748 H LEU 96 H LEU 96 -4.002 -14.872 -5.244 749 HA LEU 96 HA LEU 96 -4.739 -16.500 -3.015 750 HG LEU 96 HG LEU 96 -6.392 -18.735 -4.562 751 HB2 LEU 96 1HB LEU 96 -6.233 -15.659 -4.834 752 HB3 LEU 96 2HB LEU 96 -5.511 -16.791 -5.969 753 HD11 LEU 96 1HD1 LEU 96 -8.238 -18.280 -2.944 754 HD12 LEU 96 2HD1 LEU 96 -6.738 -17.567 -2.351 755 HD13 LEU 96 3HD1 LEU 96 -7.988 -16.531 -3.070 756 HD21 LEU 96 3HD2 LEU 96 -8.454 -16.736 -5.709 757 HD22 LEU 96 1HD2 LEU 96 -7.543 -17.961 -6.619 758 HD23 LEU 96 2HD2 LEU 96 -8.734 -18.465 -5.410 759 H ALA 97 H ALA 97 -3.249 -17.871 -2.239 760 HA ALA 97 HA ALA 97 -2.890 -20.546 -3.626 761 HB1 ALA 97 3HB ALA 97 -0.580 -18.723 -2.604 762 HB2 ALA 97 1HB ALA 97 -0.357 -20.389 -3.188 763 HB3 ALA 97 2HB ALA 97 -0.923 -19.135 -4.295 764 H LYS 98 H LYS 98 -1.642 -22.079 -2.129 765 HA LYS 98 HA LYS 98 -2.728 -21.976 0.711 766 HB2 LYS 98 1HB LYS 98 -2.716 -24.089 -0.698 767 HB3 LYS 98 2HB LYS 98 -0.950 -24.098 -0.642 768 HG2 LYS 98 1HG LYS 98 -1.059 -24.266 1.905 769 HG3 LYS 98 2HG LYS 98 -2.826 -24.236 1.822 770 HD2 LYS 98 1HD LYS 98 -2.777 -26.371 0.399 771 HD3 LYS 98 2HD LYS 98 -1.024 -26.334 0.431 772 HE2 LYS 98 1HE LYS 98 -1.610 -27.961 2.048 773 HE3 LYS 98 2HE LYS 98 -1.033 -26.576 2.969 774 HZ1 LYS 98 3HZ LYS 98 -3.177 -27.463 3.912 775 HZ2 LYS 98 1HZ LYS 98 -3.435 -25.937 3.357 776 HZ3 LYS 98 2HZ LYS 98 -3.959 -27.219 2.484 777 H ALA 99 H ALA 99 -1.564 -19.953 0.723 778 HA ALA 99 HA ALA 99 0.774 -19.912 2.538 779 HB1 ALA 99 3HB ALA 99 1.342 -19.048 -0.392 780 HB2 ALA 99 1HB ALA 99 2.411 -18.750 1.002 781 HB3 ALA 99 2HB ALA 99 2.081 -20.410 0.472 782 H ALA 100 H ALA 100 -0.446 -17.702 -0.045 783 HA ALA 100 HA ALA 100 -1.430 -15.772 2.128 784 HB1 ALA 100 3HB ALA 100 -1.467 -14.065 0.287 785 HB2 ALA 100 1HB ALA 100 0.155 -14.732 0.571 786 HB3 ALA 100 2HB ALA 100 -0.788 -15.255 -0.840 787 HA PRO 101 HA PRO 101 -5.355 -17.656 0.372 788 HB2 PRO 101 1HB PRO 101 -6.889 -17.752 2.644 789 HB3 PRO 101 2HB PRO 101 -5.508 -18.839 2.362 790 HG2 PRO 101 1HG PRO 101 -5.529 -16.247 4.027 791 HG3 PRO 101 2HG PRO 101 -4.930 -17.848 4.536 792 HD2 PRO 101 1HD PRO 101 -3.265 -15.845 3.503 793 HD3 PRO 101 2HD PRO 101 -2.897 -17.581 3.265 794 H LYS 102 H LYS 102 -5.508 -15.794 -0.907 795 HA LYS 102 HA LYS 102 -6.064 -13.229 -0.191 796 HB2 LYS 102 1HB LYS 102 -5.374 -13.983 -2.446 797 HB3 LYS 102 2HB LYS 102 -7.047 -14.418 -2.831 798 HG2 LYS 102 1HG LYS 102 -7.691 -11.940 -2.395 799 HG3 LYS 102 2HG LYS 102 -6.001 -11.578 -2.125 800 HD2 LYS 102 1HD LYS 102 -5.397 -12.216 -4.432 801 HD3 LYS 102 2HD LYS 102 -6.993 -12.921 -4.727 802 HE2 LYS 102 1HE LYS 102 -8.065 -10.617 -4.406 803 HE3 LYS 102 2HE LYS 102 -6.451 -9.907 -4.203 804 HZ1 LYS 102 3HZ LYS 102 -7.256 -11.534 -6.636 805 HZ2 LYS 102 1HZ LYS 102 -7.312 -9.903 -6.641 806 HZ3 LYS 102 2HZ LYS 102 -5.851 -10.647 -6.462 807 H GLN 103 H GLN 103 -7.608 -11.983 0.516 808 HA GLN 103 HA GLN 103 -10.337 -13.234 1.118 809 HB2 GLN 103 1HB GLN 103 -8.870 -10.805 2.309 810 HB3 GLN 103 2HB GLN 103 -10.457 -11.355 2.828 811 HG2 GLN 103 1HG GLN 103 -9.518 -13.582 3.531 812 HG3 GLN 103 2HG GLN 103 -7.924 -13.132 2.962 813 HE21 GLN 103 1HE2 GLN 103 -6.817 -11.374 4.104 814 HE22 GLN 103 2HE2 GLN 103 -7.296 -11.105 5.862 815 H PHE 104 H PHE 104 -11.047 -12.895 -1.059 816 HA PHE 104 HA PHE 104 -12.124 -10.077 -1.557 817 HD1 PHE 104 HD2 PHE 104 -9.567 -13.065 -2.931 818 HD2 PHE 104 HD1 PHE 104 -12.488 -11.485 -5.679 819 HE1 PHE 104 HE2 PHE 104 -9.131 -14.915 -4.466 820 HE2 PHE 104 HE1 PHE 104 -12.039 -13.342 -7.210 821 HZ PHE 104 HZ PHE 104 -10.360 -15.071 -6.621 822 HB2 PHE 104 1HB PHE 104 -11.786 -10.112 -3.800 823 HB3 PHE 104 2HB PHE 104 -10.302 -10.479 -2.993 824 H GLY 105 H GLY 105 -13.074 -12.922 -3.254 825 HA2 GLY 105 1HA GLY 105 -15.347 -13.855 -3.576 826 HA3 GLY 105 2HA GLY 105 -15.924 -12.956 -2.186 827 H ARG 106 H ARG 106 -16.031 -10.670 -2.538 828 HA ARG 106 HA ARG 106 -16.895 -9.641 -5.252 829 HE ARG 106 HE ARG 106 -16.763 -6.860 0.602 830 HB2 ARG 106 1HB ARG 106 -17.577 -7.629 -4.353 831 HB3 ARG 106 2HB ARG 106 -18.302 -8.873 -3.377 832 HG2 ARG 106 1HG ARG 106 -15.842 -7.181 -2.545 833 HG3 ARG 106 2HG ARG 106 -17.500 -6.730 -2.234 834 HD2 ARG 106 1HD ARG 106 -17.885 -8.632 -0.734 835 HD3 ARG 106 2HD ARG 106 -16.346 -9.367 -1.097 836 HH11 ARG 106 2HH2 ARG 106 -14.345 -8.952 -0.869 837 HH12 ARG 106 1HH2 ARG 106 -13.028 -7.997 -0.034 838 HH21 ARG 106 2HH1 ARG 106 -15.344 -6.014 1.567 839 HH22 ARG 106 1HH1 ARG 106 -13.538 -6.440 1.310 840 H ASN 107 H ASN 107 -15.373 -8.809 -6.499 841 HA ASN 107 HA ASN 107 -12.609 -9.239 -5.741 842 HB2 ASN 107 1HB ASN 107 -13.761 -9.747 -7.939 843 HB3 ASN 107 2HB ASN 107 -13.655 -8.046 -8.372 844 HD21 ASN 107 1HD2 ASN 107 -12.036 -7.974 -9.895 845 HD22 ASN 107 2HD2 ASN 107 -10.455 -8.920 -9.752 846 H LEU 108 H LEU 108 -12.626 -7.687 -4.018 847 HA LEU 108 HA LEU 108 -10.647 -5.603 -4.427 848 HG LEU 108 HG LEU 108 -14.452 -5.305 -4.404 849 HB2 LEU 108 1HB LEU 108 -11.961 -3.660 -3.581 850 HB3 LEU 108 2HB LEU 108 -12.300 -4.180 -5.209 851 HD11 LEU 108 1HD1 LEU 108 -15.412 -4.488 -2.236 852 HD12 LEU 108 2HD1 LEU 108 -14.010 -5.513 -1.938 853 HD13 LEU 108 3HD1 LEU 108 -13.857 -3.751 -1.786 854 HD21 LEU 108 3HD2 LEU 108 -15.668 -3.119 -4.285 855 HD22 LEU 108 1HD2 LEU 108 -14.150 -2.256 -3.948 856 HD23 LEU 108 2HD2 LEU 108 -14.401 -3.057 -5.519 857 H ALA 109 H ALA 109 -10.030 -4.687 -2.420 858 HA ALA 109 HA ALA 109 -9.972 -6.727 -0.265 859 HB1 ALA 109 3HB ALA 109 -8.231 -5.266 0.738 860 HB2 ALA 109 1HB ALA 109 -7.943 -5.588 -0.972 861 HB3 ALA 109 2HB ALA 109 -8.560 -4.001 -0.457 862 H ARG 110 H ARG 110 -10.565 -3.230 0.400 863 HA ARG 110 HA ARG 110 -12.649 -4.084 2.488 864 HE ARG 110 HE ARG 110 -9.331 -0.453 4.169 865 HB2 ARG 110 1HB ARG 110 -11.123 -1.405 2.315 866 HB3 ARG 110 2HB ARG 110 -12.559 -1.668 3.285 867 HG2 ARG 110 1HG ARG 110 -11.329 -3.687 4.391 868 HG3 ARG 110 2HG ARG 110 -9.859 -3.112 3.668 869 HD2 ARG 110 1HD ARG 110 -11.707 -1.491 5.565 870 HD3 ARG 110 2HD ARG 110 -10.321 -2.466 6.072 871 HH11 ARG 110 2HH2 ARG 110 -10.528 -0.678 7.425 872 HH12 ARG 110 1HH2 ARG 110 -9.490 0.734 7.957 873 HH21 ARG 110 2HH1 ARG 110 -8.081 1.159 4.836 874 HH22 ARG 110 1HH1 ARG 110 -8.220 1.656 6.572 875 H ASP 111 H ASP 111 -14.668 -3.796 1.968 876 HA ASP 111 HA ASP 111 -15.548 -2.128 -0.360 877 HB2 ASP 111 1HB ASP 111 -17.759 -3.098 -0.086 878 HB3 ASP 111 2HB ASP 111 -16.515 -4.292 -0.315 879 H LYS 112 H LYS 112 -17.385 -0.695 -0.042 880 HA LYS 112 HA LYS 112 -16.808 1.215 2.258 881 HB2 LYS 112 1HB LYS 112 -16.580 1.924 -0.243 882 HB3 LYS 112 2HB LYS 112 -18.329 1.928 -0.324 883 HG2 LYS 112 1HG LYS 112 -16.553 3.587 1.604 884 HG3 LYS 112 2HG LYS 112 -17.175 4.135 0.055 885 HD2 LYS 112 1HD LYS 112 -19.565 3.832 0.918 886 HD3 LYS 112 2HD LYS 112 -18.914 3.393 2.499 887 HE2 LYS 112 1HE LYS 112 -17.708 5.643 2.638 888 HE3 LYS 112 2HE LYS 112 -18.375 6.095 1.063 889 HZ1 LYS 112 3HZ LYS 112 -20.667 5.815 2.028 890 HZ2 LYS 112 1HZ LYS 112 -20.049 5.393 3.485 891 HZ3 LYS 112 2HZ LYS 112 -19.835 6.922 2.916 892 H LYS 113 H LYS 113 -17.906 -0.540 3.208 893 HA LYS 113 HA LYS 113 -20.541 -1.316 2.922 894 HB2 LYS 113 1HB LYS 113 -18.557 -2.385 4.198 895 HB3 LYS 113 2HB LYS 113 -19.057 -1.485 5.625 896 HG2 LYS 113 1HG LYS 113 -21.374 -2.643 5.425 897 HG3 LYS 113 2HG LYS 113 -20.767 -3.529 4.034 898 HD2 LYS 113 1HD LYS 113 -19.772 -3.679 6.947 899 HD3 LYS 113 2HD LYS 113 -20.742 -4.872 6.117 900 HE2 LYS 113 1HE LYS 113 -17.772 -4.194 5.573 901 HE3 LYS 113 2HE LYS 113 -18.411 -5.620 6.385 902 HZ1 LYS 113 3HZ LYS 113 -18.665 -4.907 3.435 903 HZ2 LYS 113 1HZ LYS 113 -17.938 -6.214 4.044 904 HZ3 LYS 113 2HZ LYS 113 -19.594 -6.118 4.105 905 H LYS 114 H LYS 114 -22.485 -0.528 3.349 906 HA LYS 114 HA LYS 114 -22.991 1.720 5.315 907 HB2 LYS 114 1HB LYS 114 -23.968 1.616 3.027 908 HB3 LYS 114 2HB LYS 114 -24.883 0.181 3.423 909 HG2 LYS 114 1HG LYS 114 -25.289 2.689 5.169 910 HG3 LYS 114 2HG LYS 114 -25.800 2.755 3.492 911 HD2 LYS 114 1HD LYS 114 -27.157 0.602 3.842 912 HD3 LYS 114 2HD LYS 114 -26.814 0.682 5.554 913 HE2 LYS 114 1HE LYS 114 -28.277 2.906 3.941 914 HE3 LYS 114 2HE LYS 114 -29.070 1.594 4.808 915 HZ1 LYS 114 3HZ LYS 114 -27.984 2.362 6.912 916 HZ2 LYS 114 1HZ LYS 114 -27.388 3.714 6.155 917 HZ3 LYS 114 2HZ LYS 114 -29.036 3.489 6.350 918 H GLN 115 H GLN 115 -22.104 0.280 6.998 919 HA GLN 115 HA GLN 115 -23.829 -1.909 8.032 920 HB2 GLN 115 1HB GLN 115 -21.190 -1.632 7.996 921 HB3 GLN 115 2HB GLN 115 -21.390 -0.771 9.508 922 HG2 GLN 115 1HG GLN 115 -22.262 -3.666 8.838 923 HG3 GLN 115 2HG GLN 115 -20.823 -3.214 9.711 924 HE21 GLN 115 1HE2 GLN 115 -21.144 -2.288 11.904 925 HE22 GLN 115 2HE2 GLN 115 -22.678 -2.790 12.786 926 H ARG 116 H ARG 116 -25.587 -0.276 8.143 927 HA ARG 116 HA ARG 116 -26.468 0.081 10.928 928 HE ARG 116 HE ARG 116 -28.049 4.032 13.265 929 HB2 ARG 116 1HB ARG 116 -24.889 2.125 10.599 930 HB3 ARG 116 2HB ARG 116 -25.992 2.757 9.411 931 HG2 ARG 116 1HG ARG 116 -26.774 2.086 12.340 932 HG3 ARG 116 2HG ARG 116 -26.023 3.599 11.858 933 HD2 ARG 116 1HD ARG 116 -27.968 4.109 10.304 934 HD3 ARG 116 2HD ARG 116 -28.794 2.640 10.855 935 HH11 ARG 116 2HH2 ARG 116 -30.184 4.733 10.500 936 HH12 ARG 116 1HH2 ARG 116 -31.061 5.974 11.534 937 HH21 ARG 116 2HH1 ARG 116 -29.150 5.406 14.315 938 HH22 ARG 116 1HH1 ARG 116 -30.535 6.295 13.544 939 H GLY 117 H GLY 117 -28.320 -0.866 10.362 940 HA2 GLY 117 1HA GLY 117 -29.495 -1.479 8.063 941 HA3 GLY 117 2HA GLY 117 -30.560 -1.174 9.407 942 H ARG 118 H ARG 118 -31.124 1.209 9.594 943 HA ARG 118 HA ARG 118 -32.020 2.323 6.877 944 HE ARG 118 HE ARG 118 -34.965 1.873 10.802 945 HB2 ARG 118 1HB ARG 118 -32.991 3.036 9.720 946 HB3 ARG 118 2HB ARG 118 -33.364 3.987 8.288 947 HG2 ARG 118 1HG ARG 118 -34.414 2.005 7.169 948 HG3 ARG 118 2HG ARG 118 -34.125 1.001 8.573 949 HD2 ARG 118 1HD ARG 118 -35.820 3.602 8.608 950 HD3 ARG 118 2HD ARG 118 -36.479 1.979 8.310 951 HH11 ARG 118 2HH2 ARG 118 -37.920 3.257 9.602 952 HH12 ARG 118 1HH2 ARG 118 -38.707 3.210 11.253 953 HH21 ARG 118 2HH1 ARG 118 -35.892 1.815 12.661 954 HH22 ARG 118 1HH1 ARG 118 -37.588 2.429 12.891
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