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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
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6760 |
1jhb ![]() ![]() |
cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 2 2H ALA 2 -2.611 16.336 -6.664 2 2H ALA 2 3H ALA 2 -1.851 17.342 -7.726 3 3H ALA 2 1H ALA 2 -3.309 16.656 -8.094 4 HA ALA 2 HA ALA 2 -1.624 15.506 -9.297 5 1HB ALA 2 1HB ALA 2 -0.416 15.022 -6.538 6 2HB ALA 2 2HB ALA 2 0.113 14.235 -8.026 7 3HB ALA 2 3HB ALA 2 0.289 15.990 -7.852 8 H GLN 3 H GLN 3 -3.154 14.051 -9.976 9 HA GLN 3 HA GLN 3 -4.356 12.213 -7.962 10 1HB GLN 3 1HB GLN 3 -5.612 13.207 -10.551 11 2HB GLN 3 2HB GLN 3 -6.277 12.052 -9.415 12 1HG GLN 3 1HG GLN 3 -7.370 13.936 -8.721 13 2HG GLN 3 2HG GLN 3 -5.999 13.968 -7.625 14 1HE2 GLN 3 2HE2 GLN 3 -6.739 17.178 -9.908 15 2HE2 GLN 3 1HE2 GLN 3 -7.808 15.786 -9.891 16 H GLU 4 H GLU 4 -3.264 12.501 -11.383 17 HA GLU 4 HA GLU 4 -3.506 9.883 -12.116 18 1HB GLU 4 1HB GLU 4 -2.862 11.998 -13.452 19 2HB GLU 4 2HB GLU 4 -1.192 11.616 -13.018 20 1HG GLU 4 1HG GLU 4 -1.537 10.705 -15.166 21 2HG GLU 4 2HG GLU 4 -1.641 9.297 -14.109 22 H PHE 5 H PHE 5 -0.819 11.212 -10.149 23 HA PHE 5 HA PHE 5 1.085 9.212 -10.732 24 1HB PHE 5 1HB PHE 5 1.449 11.374 -9.454 25 2HB PHE 5 2HB PHE 5 0.805 10.562 -8.036 26 HD1 PHE 5 1HD PHE 5 2.032 8.185 -7.454 27 HD2 PHE 5 2HD PHE 5 3.751 11.363 -9.820 28 HE1 PHE 5 1HE PHE 5 4.301 7.319 -6.992 29 HE2 PHE 5 2HE PHE 5 6.011 10.522 -9.298 30 HZ PHE 5 HZ PHE 5 6.303 8.495 -7.883 31 H VAL 6 H VAL 6 -1.073 9.341 -7.824 32 HA VAL 6 HA VAL 6 -0.565 6.626 -7.092 33 HB VAL 6 HB VAL 6 -2.687 8.683 -6.450 34 1HG1 VAL 6 3HG1 VAL 6 -3.948 6.587 -6.370 35 2HG1 VAL 6 1HG1 VAL 6 -2.716 5.886 -5.303 36 3HG1 VAL 6 2HG1 VAL 6 -3.698 7.268 -4.770 37 1HG2 VAL 6 3HG2 VAL 6 -0.374 8.788 -5.394 38 2HG2 VAL 6 1HG2 VAL 6 -1.716 8.651 -4.245 39 3HG2 VAL 6 2HG2 VAL 6 -0.729 7.244 -4.606 40 H ASN 7 H ASN 7 -3.125 8.176 -9.079 41 HA ASN 7 HA ASN 7 -4.856 6.014 -9.250 42 1HB ASN 7 1HB ASN 7 -5.186 8.438 -10.020 43 2HB ASN 7 2HB ASN 7 -4.365 7.981 -11.518 44 1HD2 ASN 7 2HD2 ASN 7 -8.264 7.102 -10.956 45 2HD2 ASN 7 1HD2 ASN 7 -7.326 8.022 -9.792 46 H CYS 8 H CYS 8 -2.213 6.853 -11.533 47 HA CYS 8 HA CYS 8 -2.633 4.445 -13.111 48 1HB CYS 8 1HB CYS 8 -1.865 6.765 -13.940 49 2HB CYS 8 2HB CYS 8 -0.284 6.376 -13.226 50 HG CYS 8 HG CYS 8 -2.030 4.814 -15.564 51 H LYS 9 H LYS 9 -0.536 5.362 -10.354 52 HA LYS 9 HA LYS 9 1.399 3.268 -10.797 53 1HB LYS 9 1HB LYS 9 0.589 4.898 -8.380 54 2HB LYS 9 2HB LYS 9 1.643 3.516 -8.176 55 1HG LYS 9 1HG LYS 9 2.307 5.784 -10.105 56 2HG LYS 9 2HG LYS 9 2.788 5.747 -8.406 57 1HD LYS 9 1HD LYS 9 3.838 3.428 -8.973 58 2HD LYS 9 2HD LYS 9 3.673 3.920 -10.660 59 1HE LYS 9 1HE LYS 9 5.235 5.346 -8.457 60 2HE LYS 9 2HE LYS 9 5.912 4.399 -9.775 61 1HZ LYS 9 3HZ LYS 9 4.442 6.947 -10.122 62 2HZ LYS 9 1HZ LYS 9 6.072 6.734 -10.195 63 3HZ LYS 9 2HZ LYS 9 5.124 6.031 -11.323 64 H ILE 10 H ILE 10 -1.844 3.252 -9.079 65 HA ILE 10 HA ILE 10 -1.319 0.502 -8.259 66 HB ILE 10 HB ILE 10 -4.059 1.728 -8.527 67 1HG1 ILE 10 1HG1 ILE 10 -2.866 1.996 -5.811 68 2HG1 ILE 10 2HG1 ILE 10 -2.144 3.076 -6.974 69 1HG2 ILE 10 3HG2 ILE 10 -2.831 -0.273 -6.571 70 2HG2 ILE 10 1HG2 ILE 10 -4.494 0.341 -6.492 71 3HG2 ILE 10 2HG2 ILE 10 -3.984 -0.644 -7.858 72 1HD1 ILE 10 3HD1 ILE 10 -5.108 2.790 -6.531 73 2HD1 ILE 10 1HD1 ILE 10 -4.084 4.114 -5.925 74 3HD1 ILE 10 2HD1 ILE 10 -4.333 3.911 -7.676 75 H GLN 11 H GLN 11 -2.423 -1.345 -9.163 76 HA GLN 11 HA GLN 11 -4.165 -1.053 -11.423 77 1HB GLN 11 1HB GLN 11 -2.962 -2.823 -12.741 78 2HB GLN 11 2HB GLN 11 -2.114 -1.294 -12.678 79 1HG GLN 11 1HG GLN 11 -0.515 -2.158 -11.060 80 2HG GLN 11 2HG GLN 11 -1.483 -3.619 -10.850 81 1HE2 GLN 11 2HE2 GLN 11 0.431 -3.284 -14.505 82 2HE2 GLN 11 1HE2 GLN 11 -0.087 -1.816 -13.702 83 HA PRO 12 HA PRO 12 -5.495 -4.862 -9.194 84 1HB PRO 12 1HB PRO 12 -6.562 -6.421 -11.145 85 2HB PRO 12 2HB PRO 12 -7.408 -4.990 -10.490 86 1HG PRO 12 1HG PRO 12 -5.767 -5.175 -13.031 87 2HG PRO 12 2HG PRO 12 -7.382 -4.432 -12.805 88 1HD PRO 12 1HD PRO 12 -5.082 -2.965 -12.798 89 2HD PRO 12 2HD PRO 12 -6.475 -2.533 -11.773 90 H GLY 13 H GLY 13 -4.735 -7.206 -9.218 91 1HA GLY 13 1HA GLY 13 -2.992 -8.683 -9.239 92 2HA GLY 13 2HA GLY 13 -2.864 -8.245 -10.920 93 H LYS 14 H LYS 14 -2.202 -5.965 -8.272 94 HA LYS 14 HA LYS 14 0.583 -6.654 -8.019 95 1HB LYS 14 1HB LYS 14 0.107 -4.648 -9.813 96 2HB LYS 14 2HB LYS 14 0.191 -3.698 -8.333 97 1HG LYS 14 1HG LYS 14 2.419 -4.769 -7.927 98 2HG LYS 14 2HG LYS 14 2.300 -5.643 -9.453 99 1HD LYS 14 1HD LYS 14 1.944 -2.652 -9.532 100 2HD LYS 14 2HD LYS 14 3.537 -3.209 -9.063 101 1HE LYS 14 1HE LYS 14 2.135 -4.108 -11.614 102 2HE LYS 14 2HE LYS 14 3.239 -2.730 -11.507 103 1HZ LYS 14 2HZ LYS 14 4.944 -4.308 -10.653 104 2HZ LYS 14 3HZ LYS 14 3.949 -5.565 -11.005 105 3HZ LYS 14 1HZ LYS 14 4.524 -4.604 -12.185 106 H VAL 15 H VAL 15 1.427 -5.874 -5.906 107 HA VAL 15 HA VAL 15 -0.668 -4.909 -4.059 108 HB VAL 15 HB VAL 15 1.941 -6.393 -3.507 109 1HG1 VAL 15 2HG1 VAL 15 -0.332 -5.355 -1.827 110 2HG1 VAL 15 3HG1 VAL 15 0.751 -6.632 -1.211 111 3HG1 VAL 15 1HG1 VAL 15 1.375 -5.028 -1.612 112 1HG2 VAL 15 1HG2 VAL 15 -0.905 -7.443 -3.542 113 2HG2 VAL 15 2HG2 VAL 15 0.469 -7.960 -4.555 114 3HG2 VAL 15 3HG2 VAL 15 0.499 -8.284 -2.837 115 H VAL 16 H VAL 16 -0.410 -2.730 -4.863 116 HA VAL 16 HA VAL 16 2.263 -1.498 -4.648 117 HB VAL 16 HB VAL 16 -0.415 -0.799 -5.864 118 1HG1 VAL 16 2HG1 VAL 16 1.819 1.182 -5.337 119 2HG1 VAL 16 3HG1 VAL 16 0.536 1.417 -6.548 120 3HG1 VAL 16 1HG1 VAL 16 0.127 1.308 -4.828 121 1HG2 VAL 16 2HG2 VAL 16 1.377 -2.189 -7.007 122 2HG2 VAL 16 3HG2 VAL 16 0.962 -0.699 -7.876 123 3HG2 VAL 16 1HG2 VAL 16 2.451 -0.798 -6.907 124 H VAL 17 H VAL 17 2.819 -0.133 -2.976 125 HA VAL 17 HA VAL 17 0.758 0.528 -0.933 126 HB VAL 17 HB VAL 17 3.610 -0.430 -0.451 127 1HG1 VAL 17 1HG1 VAL 17 1.287 0.179 1.426 128 2HG1 VAL 17 2HG1 VAL 17 2.810 -0.607 1.925 129 3HG1 VAL 17 3HG1 VAL 17 2.816 1.047 1.311 130 1HG2 VAL 17 3HG2 VAL 17 1.034 -2.011 -0.207 131 2HG2 VAL 17 1HG2 VAL 17 2.398 -2.324 -1.301 132 3HG2 VAL 17 2HG2 VAL 17 2.640 -2.498 0.423 133 H PHE 18 H PHE 18 0.709 2.738 -0.726 134 HA PHE 18 HA PHE 18 3.001 4.256 -1.808 135 1HB PHE 18 1HB PHE 18 0.351 5.214 -0.656 136 2HB PHE 18 2HB PHE 18 1.585 6.266 -1.335 137 HD1 PHE 18 1HD PHE 18 2.316 6.056 -3.717 138 HD2 PHE 18 2HD PHE 18 -1.123 3.982 -2.133 139 HE1 PHE 18 1HE PHE 18 1.504 5.639 -6.021 140 HE2 PHE 18 2HE PHE 18 -1.931 3.580 -4.440 141 HZ PHE 18 HZ PHE 18 -0.627 4.423 -6.383 142 H ILE 19 H ILE 19 4.574 5.103 -0.481 143 HA ILE 19 HA ILE 19 4.258 5.135 2.463 144 HB ILE 19 HB ILE 19 6.478 4.117 2.665 145 1HG1 ILE 19 1HG1 ILE 19 6.850 3.003 -0.015 146 2HG1 ILE 19 2HG1 ILE 19 6.896 4.736 -0.060 147 1HG2 ILE 19 2HG2 ILE 19 4.584 2.604 2.747 148 2HG2 ILE 19 3HG2 ILE 19 4.744 2.304 0.993 149 3HG2 ILE 19 1HG2 ILE 19 6.050 1.841 2.100 150 1HD1 ILE 19 3HD1 ILE 19 8.592 3.055 1.807 151 2HD1 ILE 19 1HD1 ILE 19 9.122 3.866 0.311 152 3HD1 ILE 19 2HD1 ILE 19 8.604 4.830 1.703 153 H LYS 20 H LYS 20 6.251 6.180 3.466 154 HA LYS 20 HA LYS 20 7.905 7.827 1.729 155 1HB LYS 20 1HB LYS 20 7.728 9.670 3.629 156 2HB LYS 20 2HB LYS 20 6.631 9.677 2.254 157 1HG LYS 20 1HG LYS 20 4.896 8.546 3.639 158 2HG LYS 20 2HG LYS 20 6.005 8.570 5.013 159 1HD LYS 20 1HD LYS 20 5.157 11.112 3.575 160 2HD LYS 20 2HD LYS 20 4.114 10.379 4.794 161 1HE LYS 20 1HE LYS 20 6.971 11.213 5.297 162 2HE LYS 20 2HE LYS 20 5.579 12.244 5.592 163 1HZ LYS 20 3HZ LYS 20 5.915 9.607 6.911 164 2HZ LYS 20 1HZ LYS 20 6.315 11.092 7.577 165 3HZ LYS 20 2HZ LYS 20 4.767 10.679 7.189 166 HA PRO 21 HA PRO 21 10.531 5.736 4.594 167 1HB PRO 21 1HB PRO 21 12.938 7.004 4.368 168 2HB PRO 21 2HB PRO 21 12.227 6.063 3.022 169 1HG PRO 21 1HG PRO 21 12.065 9.066 3.487 170 2HG PRO 21 2HG PRO 21 12.563 8.207 1.997 171 1HD PRO 21 1HD PRO 21 10.002 9.115 2.378 172 2HD PRO 21 2HD PRO 21 10.326 7.583 1.515 173 H THR 22 H THR 22 9.659 9.113 5.014 174 HA THR 22 HA THR 22 10.892 9.414 7.630 175 HB THR 22 HB THR 22 9.655 11.657 7.363 176 HG1 THR 22 HG1 THR 22 9.164 12.141 5.207 177 1HG2 THR 22 3HG2 THR 22 11.807 10.853 5.344 178 2HG2 THR 22 1HG2 THR 22 11.407 12.507 5.851 179 3HG2 THR 22 2HG2 THR 22 12.082 11.372 7.020 180 H CYS 23 H CSN 23 8.072 7.874 6.519 181 HA CYS 23 HA CSN 23 6.562 8.259 9.023 182 1HB CYS 23 2HB CSN 23 6.281 6.708 6.466 183 2HB CYS 23 3HB CSN 23 5.505 6.083 7.908 184 HA PRO 24 HA PRO 24 9.182 4.802 10.643 185 1HB PRO 24 1HB PRO 24 8.057 4.596 13.111 186 2HB PRO 24 2HB PRO 24 9.197 5.911 12.692 187 1HG PRO 24 1HG PRO 24 6.168 6.011 12.757 188 2HG PRO 24 2HG PRO 24 7.333 7.194 13.417 189 1HD PRO 24 1HD PRO 24 6.092 7.453 10.969 190 2HD PRO 24 2HD PRO 24 7.697 8.145 11.307 191 H TYR 25 H TYR 25 5.705 5.250 10.393 192 HA TYR 25 HA TYR 25 4.881 2.568 10.941 193 1HB TYR 25 1HB TYR 25 3.638 4.829 9.299 194 2HB TYR 25 2HB TYR 25 2.820 3.352 9.754 195 HD1 TYR 25 1HD TYR 25 2.692 2.781 12.320 196 HD2 TYR 25 2HD TYR 25 3.398 6.732 10.696 197 HE1 TYR 25 1HE TYR 25 1.830 3.794 14.403 198 HE2 TYR 25 2HE TYR 25 2.471 7.728 12.750 199 HH TYR 25 HH TYR 25 1.666 7.329 14.928 200 H CYS 26 H CYS 26 6.118 4.201 7.995 201 HA CYS 26 HA CYS 26 5.085 2.198 6.178 202 1HB CYS 26 1HB CYS 26 7.276 4.320 5.923 203 2HB CYS 26 2HB CYS 26 6.835 3.181 4.651 204 HG CYS 26 HG CYS 26 5.016 5.588 6.091 205 H ARG 27 H ARG 27 8.019 2.486 8.209 206 HA ARG 27 HA ARG 27 9.395 0.282 7.001 207 1HB ARG 27 1HB ARG 27 10.287 2.093 8.642 208 2HB ARG 27 2HB ARG 27 9.623 1.065 9.921 209 1HG ARG 27 1HG ARG 27 10.987 -0.860 8.917 210 2HG ARG 27 2HG ARG 27 11.708 0.337 7.829 211 1HD ARG 27 1HD ARG 27 11.988 1.523 10.322 212 2HD ARG 27 2HD ARG 27 12.172 -0.182 10.730 213 HE ARG 27 HE ARG 27 13.927 1.559 9.187 214 1HH1 ARG 27 2HH2 ARG 27 13.166 -1.925 9.649 215 2HH1 ARG 27 1HH2 ARG 27 14.771 -2.395 9.149 216 1HH2 ARG 27 2HH1 ARG 27 16.002 0.826 8.693 217 2HH2 ARG 27 1HH1 ARG 27 16.329 -0.893 8.543 218 H ARG 28 H ARG 28 7.005 0.467 9.657 219 HA ARG 28 HA ARG 28 7.040 -2.285 10.424 220 1HB ARG 28 1HB ARG 28 5.788 -0.589 11.668 221 2HB ARG 28 2HB ARG 28 4.705 -0.312 10.347 222 1HG ARG 28 1HG ARG 28 3.316 -1.972 10.941 223 2HG ARG 28 2HG ARG 28 4.599 -3.147 10.849 224 1HD ARG 28 1HD ARG 28 3.491 -3.106 13.061 225 2HD ARG 28 2HD ARG 28 5.237 -2.873 13.091 226 HE ARG 28 HE ARG 28 3.230 -0.659 13.434 227 1HH1 ARG 28 2HH2 ARG 28 6.022 -2.347 14.771 228 2HH1 ARG 28 1HH2 ARG 28 6.641 -0.979 15.620 229 1HH2 ARG 28 2HH1 ARG 28 3.915 1.079 14.621 230 2HH2 ARG 28 1HH1 ARG 28 5.431 1.129 15.463 231 H ALA 29 H ALA 29 4.878 -0.588 8.201 232 HA ALA 29 HA ALA 29 3.567 -2.856 7.187 233 1HB ALA 29 1HB ALA 29 4.180 -0.247 5.761 234 2HB ALA 29 2HB ALA 29 3.129 -1.509 5.097 235 3HB ALA 29 3HB ALA 29 2.686 -0.729 6.625 236 H GLN 30 H GLN 30 6.721 -1.506 6.023 237 HA GLN 30 HA GLN 30 7.009 -3.233 3.910 238 1HB GLN 30 1HB GLN 30 8.623 -1.317 5.378 239 2HB GLN 30 2HB GLN 30 9.616 -2.742 5.154 240 1HG GLN 30 1HG GLN 30 9.804 -2.413 2.906 241 2HG GLN 30 2HG GLN 30 8.086 -2.041 2.756 242 1HE2 GLN 30 2HE2 GLN 30 10.629 1.117 3.651 243 2HE2 GLN 30 1HE2 GLN 30 11.073 -0.494 4.183 244 H GLU 31 H GLU 31 7.878 -3.905 7.317 245 HA GLU 31 HA GLU 31 8.995 -6.511 6.472 246 1HB GLU 31 1HB GLU 31 9.069 -7.069 8.892 247 2HB GLU 31 2HB GLU 31 10.022 -5.676 8.408 248 1HG GLU 31 1HG GLU 31 8.327 -4.148 9.334 249 2HG GLU 31 2HG GLU 31 7.323 -5.528 9.816 250 H ILE 32 H ILE 32 6.080 -5.336 8.111 251 HA ILE 32 HA ILE 32 4.732 -7.705 8.515 252 HB ILE 32 HB ILE 32 3.933 -4.888 7.877 253 1HG1 ILE 32 1HG1 ILE 32 3.531 -6.790 10.234 254 2HG1 ILE 32 2HG1 ILE 32 4.623 -5.415 10.139 255 1HG2 ILE 32 3HG2 ILE 32 1.870 -7.081 8.008 256 2HG2 ILE 32 1HG2 ILE 32 1.542 -5.329 8.118 257 3HG2 ILE 32 2HG2 ILE 32 2.207 -5.980 6.650 258 1HD1 ILE 32 2HD1 ILE 32 2.511 -3.946 9.900 259 2HD1 ILE 32 3HD1 ILE 32 1.590 -5.393 10.367 260 3HD1 ILE 32 1HD1 ILE 32 2.781 -4.721 11.481 261 H LEU 33 H LEU 33 4.772 -5.794 5.497 262 HA LEU 33 HA LEU 33 3.076 -7.787 4.281 263 1HB LEU 33 1HB LEU 33 4.230 -5.189 3.306 264 2HB LEU 33 2HB LEU 33 3.897 -6.390 2.087 265 HG LEU 33 HG LEU 33 1.802 -5.305 4.029 266 1HD1 LEU 33 2HD1 LEU 33 2.521 -3.659 2.406 267 2HD1 LEU 33 3HD1 LEU 33 2.203 -4.799 1.074 268 3HD1 LEU 33 1HD1 LEU 33 0.873 -4.216 2.081 269 1HD2 LEU 33 2HD2 LEU 33 1.562 -7.236 1.658 270 2HD2 LEU 33 3HD2 LEU 33 1.204 -7.614 3.347 271 3HD2 LEU 33 1HD2 LEU 33 0.189 -6.464 2.482 272 H SER 34 H SER 34 6.596 -6.753 3.976 273 HA SER 34 HA SER 34 7.058 -8.697 1.892 274 1HB SER 34 1HB SER 34 8.359 -6.550 2.350 275 2HB SER 34 2HB SER 34 9.200 -7.447 3.624 276 HG SER 34 HG SER 34 9.764 -8.992 2.001 277 H GLN 35 H GLN 35 6.666 -9.257 5.254 278 HA GLN 35 HA GLN 35 8.390 -11.547 5.497 279 1HB GLN 35 1HB GLN 35 6.005 -10.433 7.010 280 2HB GLN 35 2HB GLN 35 6.618 -12.039 7.390 281 1HG GLN 35 1HG GLN 35 8.781 -11.225 7.972 282 2HG GLN 35 2HG GLN 35 8.446 -9.609 7.386 283 1HE2 GLN 35 2HE2 GLN 35 7.522 -10.575 11.209 284 2HE2 GLN 35 1HE2 GLN 35 8.574 -11.525 10.164 285 H LEU 36 H LEU 36 5.335 -11.031 3.814 286 HA LEU 36 HA LEU 36 4.484 -13.811 4.154 287 1HB LEU 36 1HB LEU 36 3.233 -11.416 2.765 288 2HB LEU 36 2HB LEU 36 2.448 -12.971 3.003 289 HG LEU 36 HG LEU 36 3.334 -11.068 5.222 290 1HD1 LEU 36 3HD1 LEU 36 1.437 -10.205 3.940 291 2HD1 LEU 36 1HD1 LEU 36 0.548 -11.726 4.200 292 3HD1 LEU 36 2HD1 LEU 36 0.952 -10.670 5.575 293 1HD2 LEU 36 2HD2 LEU 36 1.797 -13.691 5.404 294 2HD2 LEU 36 3HD2 LEU 36 3.413 -13.360 6.061 295 3HD2 LEU 36 1HD2 LEU 36 2.009 -12.534 6.734 296 HA PRO 37 HA PRO 37 6.227 -14.943 0.203 297 1HB PRO 37 1HB PRO 37 4.850 -17.247 -0.365 298 2HB PRO 37 2HB PRO 37 6.055 -17.135 0.951 299 1HG PRO 37 1HG PRO 37 3.043 -16.913 1.174 300 2HG PRO 37 2HG PRO 37 4.165 -17.890 2.173 301 1HD PRO 37 1HD PRO 37 3.268 -15.440 2.975 302 2HD PRO 37 2HD PRO 37 4.930 -15.995 3.342 303 H ILE 38 H ILE 38 5.733 -13.518 -1.496 304 HA ILE 38 HA ILE 38 2.949 -13.501 -2.591 305 HB ILE 38 HB ILE 38 4.805 -11.331 -1.518 306 1HG1 ILE 38 1HG1 ILE 38 1.774 -11.656 -1.424 307 2HG1 ILE 38 2HG1 ILE 38 2.815 -12.497 -0.292 308 1HG2 ILE 38 2HG2 ILE 38 2.599 -10.806 -3.591 309 2HG2 ILE 38 3HG2 ILE 38 3.377 -9.563 -2.601 310 3HG2 ILE 38 1HG2 ILE 38 4.329 -10.450 -3.768 311 1HD1 ILE 38 1HD1 ILE 38 3.845 -10.337 0.404 312 2HD1 ILE 38 2HD1 ILE 38 2.527 -9.530 -0.492 313 3HD1 ILE 38 3HD1 ILE 38 2.152 -10.597 0.871 314 H LYS 39 H LYS 39 2.889 -13.267 -4.942 315 HA LYS 39 HA LYS 39 4.918 -14.117 -6.382 316 1HB LYS 39 1HB LYS 39 2.491 -12.589 -6.959 317 2HB LYS 39 2HB LYS 39 3.737 -12.434 -8.185 318 1HG LYS 39 1HG LYS 39 2.987 -15.162 -7.116 319 2HG LYS 39 2HG LYS 39 2.034 -14.375 -8.354 320 1HD LYS 39 1HD LYS 39 5.014 -14.955 -8.455 321 2HD LYS 39 2HD LYS 39 3.795 -15.971 -9.200 322 1HE LYS 39 1HE LYS 39 3.561 -14.615 -11.018 323 2HE LYS 39 2HE LYS 39 3.599 -13.143 -10.061 324 1HZ LYS 39 1HZ LYS 39 6.003 -14.696 -10.842 325 2HZ LYS 39 2HZ LYS 39 5.494 -13.297 -11.514 326 3HZ LYS 39 3HZ LYS 39 6.003 -13.300 -9.971 327 H GLN 40 H GLN 40 6.866 -13.404 -7.081 328 HA GLN 40 HA GLN 40 8.012 -11.074 -6.094 329 1HB GLN 40 1HB GLN 40 9.214 -13.112 -6.867 330 2HB GLN 40 2HB GLN 40 8.826 -12.708 -8.549 331 1HG GLN 40 1HG GLN 40 10.100 -10.622 -8.381 332 2HG GLN 40 2HG GLN 40 10.377 -10.892 -6.650 333 1HE2 GLN 40 2HE2 GLN 40 13.105 -13.083 -7.223 334 2HE2 GLN 40 1HE2 GLN 40 12.116 -12.244 -6.028 335 H GLY 41 H GLY 41 8.005 -8.996 -6.705 336 1HA GLY 41 1HA GLY 41 8.195 -7.244 -8.232 337 2HA GLY 41 2HA GLY 41 7.365 -8.198 -9.472 338 H LEU 42 H LEU 42 5.303 -9.053 -7.134 339 HA LEU 42 HA LEU 42 3.470 -6.986 -7.895 340 1HB LEU 42 1HB LEU 42 3.197 -9.113 -5.742 341 2HB LEU 42 2HB LEU 42 1.957 -8.044 -6.343 342 HG LEU 42 HG LEU 42 3.163 -10.427 -7.661 343 1HD1 LEU 42 1HD1 LEU 42 1.074 -10.433 -6.210 344 2HD1 LEU 42 2HD1 LEU 42 0.298 -9.437 -7.468 345 3HD1 LEU 42 3HD1 LEU 42 0.847 -11.076 -7.856 346 1HD2 LEU 42 2HD2 LEU 42 1.740 -8.237 -9.165 347 2HD2 LEU 42 3HD2 LEU 42 3.344 -8.932 -9.484 348 3HD2 LEU 42 1HD2 LEU 42 1.895 -9.907 -9.745 349 H LEU 43 H LEU 43 5.589 -7.515 -5.016 350 HA LEU 43 HA LEU 43 3.924 -5.596 -3.504 351 1HB LEU 43 1HB LEU 43 5.403 -7.693 -2.577 352 2HB LEU 43 2HB LEU 43 6.570 -6.400 -2.428 353 HG LEU 43 HG LEU 43 5.597 -6.323 -0.359 354 1HD1 LEU 43 3HD1 LEU 43 5.248 -4.040 -1.350 355 2HD1 LEU 43 1HD1 LEU 43 3.567 -4.485 -1.691 356 3HD1 LEU 43 2HD1 LEU 43 4.162 -4.444 -0.029 357 1HD2 LEU 43 1HD2 LEU 43 3.048 -7.202 -1.697 358 2HD2 LEU 43 2HD2 LEU 43 4.056 -8.014 -0.492 359 3HD2 LEU 43 3HD2 LEU 43 3.066 -6.632 -0.017 360 H GLU 44 H GLU 44 4.148 -3.492 -4.203 361 HA GLU 44 HA GLU 44 6.923 -2.532 -4.732 362 1HB GLU 44 1HB GLU 44 5.595 -2.953 -6.794 363 2HB GLU 44 2HB GLU 44 4.422 -1.736 -6.239 364 1HG GLU 44 1HG GLU 44 6.260 -0.073 -6.076 365 2HG GLU 44 2HG GLU 44 7.429 -1.297 -6.544 366 H PHE 45 H PHE 45 7.439 -1.305 -3.050 367 HA PHE 45 HA PHE 45 5.409 0.332 -1.703 368 1HB PHE 45 1HB PHE 45 8.380 0.070 -1.161 369 2HB PHE 45 2HB PHE 45 7.194 0.863 -0.152 370 HD1 PHE 45 1HD PHE 45 5.360 -0.475 0.974 371 HD2 PHE 45 2HD PHE 45 8.722 -2.342 -0.967 372 HE1 PHE 45 1HE PHE 45 4.886 -2.579 2.184 373 HE2 PHE 45 2HE PHE 45 8.254 -4.445 0.267 374 HZ PHE 45 HZ PHE 45 6.335 -4.580 1.831 375 H VAL 46 H VAL 46 4.834 2.050 -2.874 376 HA VAL 46 HA VAL 46 6.650 3.408 -4.775 377 HB VAL 46 HB VAL 46 3.648 3.685 -4.221 378 1HG1 VAL 46 1HG1 VAL 46 5.430 4.848 -6.408 379 2HG1 VAL 46 2HG1 VAL 46 3.649 4.889 -6.422 380 3HG1 VAL 46 3HG1 VAL 46 4.537 5.750 -5.161 381 1HG2 VAL 46 2HG2 VAL 46 5.106 2.240 -6.468 382 2HG2 VAL 46 3HG2 VAL 46 4.117 1.498 -5.192 383 3HG2 VAL 46 1HG2 VAL 46 3.351 2.541 -6.392 384 H ASP 47 H ASP 47 7.321 5.551 -4.335 385 HA ASP 47 HA ASP 47 7.020 6.301 -1.510 386 1HB ASP 47 1HB ASP 47 9.167 6.053 -2.894 387 2HB ASP 47 2HB ASP 47 8.762 7.641 -3.561 388 H ILE 48 H ILE 48 6.275 8.329 -0.830 389 HA ILE 48 HA ILE 48 4.794 10.002 -2.806 390 HB ILE 48 HB ILE 48 3.317 10.670 -1.128 391 1HG1 ILE 48 1HG1 ILE 48 4.472 8.881 1.024 392 2HG1 ILE 48 2HG1 ILE 48 5.032 10.541 0.832 393 1HG2 ILE 48 2HG2 ILE 48 2.849 8.523 -2.275 394 2HG2 ILE 48 3HG2 ILE 48 3.596 7.641 -0.931 395 3HG2 ILE 48 1HG2 ILE 48 2.116 8.591 -0.672 396 1HD1 ILE 48 3HD1 ILE 48 2.732 11.339 1.038 397 2HD1 ILE 48 1HD1 ILE 48 2.165 9.679 1.339 398 3HD1 ILE 48 2HD1 ILE 48 3.269 10.472 2.472 399 H THR 49 H THR 49 7.793 10.149 -1.469 400 HA THR 49 HA THR 49 7.610 13.109 -1.633 401 HB THR 49 HB THR 49 7.633 12.612 0.706 402 HG1 THR 49 HG1 THR 49 8.975 14.128 1.054 403 1HG2 THR 49 2HG2 THR 49 10.169 10.997 0.242 404 2HG2 THR 49 3HG2 THR 49 9.564 11.524 1.830 405 3HG2 THR 49 1HG2 THR 49 8.613 10.404 0.846 406 H ALA 50 H ALA 50 9.367 10.146 -2.409 407 HA ALA 50 HA ALA 50 11.800 11.191 -3.147 408 1HB ALA 50 3HB ALA 50 11.269 8.784 -3.145 409 2HB ALA 50 1HB ALA 50 10.291 8.996 -4.621 410 3HB ALA 50 2HB ALA 50 12.039 9.277 -4.660 411 H THR 51 H THR 51 8.844 11.368 -5.151 412 HA THR 51 HA THR 51 10.308 12.906 -7.233 413 HB THR 51 HB THR 51 8.929 11.023 -8.732 414 HG1 THR 51 HG1 THR 51 8.660 9.795 -6.655 415 1HG2 THR 51 2HG2 THR 51 11.247 11.854 -9.047 416 2HG2 THR 51 3HG2 THR 51 11.790 10.798 -7.727 417 3HG2 THR 51 1HG2 THR 51 11.116 10.102 -9.211 418 H ASN 52 H ASN 52 8.079 13.671 -5.346 419 HA ASN 52 HA ASN 52 6.041 14.516 -7.272 420 1HB ASN 52 1HB ASN 52 4.270 13.173 -6.350 421 2HB ASN 52 2HB ASN 52 5.551 12.092 -6.830 422 1HD2 ASN 52 2HD2 ASN 52 4.564 12.254 -2.898 423 2HD2 ASN 52 1HD2 ASN 52 3.457 12.773 -4.145 424 H HIS 53 H HIS 53 4.146 14.516 -4.859 425 HA HIS 53 HA HIS 53 5.107 16.665 -3.165 426 1HB HIS 53 1HB HIS 53 2.658 16.714 -4.998 427 2HB HIS 53 2HB HIS 53 2.807 17.728 -3.556 428 HD1 HIS 53 1HD HIS 53 2.537 18.647 -6.669 429 HD2 HIS 53 2HD HIS 53 5.943 18.631 -4.169 430 HE1 HIS 53 1HE HIS 53 4.226 20.277 -7.720 431 H THR 54 H THR 54 5.009 15.024 -1.524 432 HA THR 54 HA THR 54 2.971 13.236 -0.932 433 HB THR 54 HB THR 54 4.178 12.951 0.855 434 HG1 THR 54 HG1 THR 54 2.907 13.697 2.371 435 1HG2 THR 54 3HG2 THR 54 5.286 15.730 0.722 436 2HG2 THR 54 1HG2 THR 54 5.807 14.421 1.824 437 3HG2 THR 54 2HG2 THR 54 6.020 14.231 0.075 438 H ASN 55 H ASN 55 3.007 16.494 0.243 439 HA ASN 55 HA ASN 55 0.668 16.957 1.322 440 1HB ASN 55 1HB ASN 55 2.684 18.556 0.361 441 2HB ASN 55 2HB ASN 55 1.388 19.077 -0.694 442 1HD2 ASN 55 2HD2 ASN 55 1.593 21.366 2.214 443 2HD2 ASN 55 1HD2 ASN 55 2.440 20.946 0.741 444 H GLU 56 H GLU 56 0.955 16.668 -2.222 445 HA GLU 56 HA GLU 56 -1.855 17.477 -2.701 446 1HB GLU 56 1HB GLU 56 0.597 16.677 -4.343 447 2HB GLU 56 2HB GLU 56 -1.016 16.483 -5.015 448 1HG GLU 56 1HG GLU 56 -1.500 18.871 -4.417 449 2HG GLU 56 2HG GLU 56 0.240 19.067 -4.158 450 H ILE 57 H ILE 57 0.271 14.633 -3.287 451 HA ILE 57 HA ILE 57 -1.740 12.860 -4.139 452 HB ILE 57 HB ILE 57 1.098 12.734 -3.241 453 1HG1 ILE 57 1HG1 ILE 57 -0.072 11.150 -5.512 454 2HG1 ILE 57 2HG1 ILE 57 -0.132 12.910 -5.649 455 1HG2 ILE 57 3HG2 ILE 57 -0.558 10.211 -3.237 456 2HG2 ILE 57 1HG2 ILE 57 1.206 10.237 -3.405 457 3HG2 ILE 57 2HG2 ILE 57 0.449 10.854 -1.929 458 1HD1 ILE 57 1HD1 ILE 57 2.385 11.282 -5.196 459 2HD1 ILE 57 2HD1 ILE 57 1.886 12.054 -6.713 460 3HD1 ILE 57 3HD1 ILE 57 2.262 13.069 -5.322 461 H GLN 58 H GLN 58 -0.708 13.697 -0.866 462 HA GLN 58 HA GLN 58 -1.843 11.353 0.405 463 1HB GLN 58 1HB GLN 58 -0.711 14.087 1.275 464 2HB GLN 58 2HB GLN 58 -1.644 13.125 2.401 465 1HG GLN 58 1HG GLN 58 -0.050 11.110 1.615 466 2HG GLN 58 2HG GLN 58 0.959 12.466 1.149 467 1HE2 GLN 58 2HE2 GLN 58 0.393 11.647 5.165 468 2HE2 GLN 58 1HE2 GLN 58 -0.815 11.152 3.988 469 H ASP 59 H ASP 59 -2.878 14.674 -0.347 470 HA ASP 59 HA ASP 59 -5.403 14.679 1.002 471 1HB ASP 59 1HB ASP 59 -3.804 16.544 -0.127 472 2HB ASP 59 2HB ASP 59 -4.815 16.272 -1.499 473 H TYR 60 H TYR 60 -4.330 14.144 -2.314 474 HA TYR 60 HA TYR 60 -6.868 13.385 -3.440 475 1HB TYR 60 1HB TYR 60 -5.012 13.782 -4.933 476 2HB TYR 60 2HB TYR 60 -4.083 12.469 -4.218 477 HD1 TYR 60 2HD TYR 60 -7.573 12.888 -5.650 478 HD2 TYR 60 1HD TYR 60 -3.970 10.520 -5.499 479 HE1 TYR 60 2HE TYR 60 -8.591 11.266 -7.205 480 HE2 TYR 60 1HE TYR 60 -4.975 8.911 -7.109 481 HH TYR 60 HH TYR 60 -8.367 9.141 -8.165 482 H LEU 61 H LEU 61 -4.368 11.284 -1.919 483 HA LEU 61 HA LEU 61 -5.818 8.856 -2.031 484 1HB LEU 61 1HB LEU 61 -3.706 9.902 -0.126 485 2HB LEU 61 2HB LEU 61 -4.451 8.346 0.144 486 HG LEU 61 HG LEU 61 -3.116 9.036 -2.505 487 1HD1 LEU 61 1HD1 LEU 61 -1.792 7.779 -0.060 488 2HD1 LEU 61 2HD1 LEU 61 -1.092 7.895 -1.689 489 3HD1 LEU 61 3HD1 LEU 61 -1.428 9.362 -0.770 490 1HD2 LEU 61 2HD2 LEU 61 -3.748 6.403 -1.094 491 2HD2 LEU 61 3HD2 LEU 61 -4.590 7.062 -2.503 492 3HD2 LEU 61 1HD2 LEU 61 -2.894 6.563 -2.638 493 H GLN 62 H GLN 62 -6.006 11.551 0.317 494 HA GLN 62 HA GLN 62 -7.748 10.380 2.163 495 1HB GLN 62 1HB GLN 62 -6.701 12.908 1.927 496 2HB GLN 62 2HB GLN 62 -8.342 13.212 1.402 497 1HG GLN 62 1HG GLN 62 -8.993 11.782 3.548 498 2HG GLN 62 2HG GLN 62 -7.385 12.235 4.088 499 1HE2 GLN 62 2HE2 GLN 62 -10.475 14.889 4.171 500 2HE2 GLN 62 1HE2 GLN 62 -10.620 13.189 3.744 501 H GLN 63 H GLN 63 -8.551 12.119 -0.855 502 HA GLN 63 HA GLN 63 -11.372 11.727 -0.561 503 1HB GLN 63 1HB GLN 63 -9.769 13.334 -2.140 504 2HB GLN 63 2HB GLN 63 -10.302 12.133 -3.318 505 1HG GLN 63 1HG GLN 63 -12.692 12.579 -2.485 506 2HG GLN 63 2HG GLN 63 -12.024 13.903 -1.521 507 1HE2 GLN 63 2HE2 GLN 63 -13.082 14.750 -5.221 508 2HE2 GLN 63 1HE2 GLN 63 -13.850 13.631 -4.114 509 H LEU 64 H LEU 64 -8.846 10.026 -2.430 510 HA LEU 64 HA LEU 64 -10.723 8.383 -3.829 511 1HB LEU 64 1HB LEU 64 -8.691 8.851 -4.938 512 2HB LEU 64 2HB LEU 64 -7.739 8.483 -3.516 513 HG LEU 64 HG LEU 64 -8.352 6.006 -3.823 514 1HD1 LEU 64 2HD1 LEU 64 -10.264 6.528 -5.420 515 2HD1 LEU 64 3HD1 LEU 64 -9.063 7.035 -6.608 516 3HD1 LEU 64 1HD1 LEU 64 -9.096 5.354 -6.048 517 1HD2 LEU 64 1HD2 LEU 64 -6.709 7.386 -5.972 518 2HD2 LEU 64 2HD2 LEU 64 -6.125 6.898 -4.368 519 3HD2 LEU 64 3HD2 LEU 64 -6.632 5.668 -5.545 520 H THR 65 H THR 65 -8.954 7.908 -0.780 521 HA THR 65 HA THR 65 -10.063 5.145 -0.573 522 HB THR 65 HB THR 65 -8.092 4.467 0.558 523 HG1 THR 65 HG1 THR 65 -7.255 7.181 0.424 524 1HG2 THR 65 2HG2 THR 65 -7.942 4.492 -1.913 525 2HG2 THR 65 3HG2 THR 65 -7.137 6.088 -1.827 526 3HG2 THR 65 1HG2 THR 65 -6.374 4.664 -1.105 527 H GLY 66 H GLY 66 -10.156 8.251 1.077 528 1HA GLY 66 1HA GLY 66 -11.753 8.609 2.731 529 2HA GLY 66 2HA GLY 66 -11.623 6.938 3.280 530 H ALA 67 H ALA 67 -8.447 7.953 2.769 531 HA ALA 67 HA ALA 67 -8.058 9.505 5.175 532 1HB ALA 67 1HB ALA 67 -7.261 6.575 5.013 533 2HB ALA 67 2HB ALA 67 -6.598 7.701 6.217 534 3HB ALA 67 3HB ALA 67 -8.333 7.289 6.196 535 H ARG 68 H ARG 68 -5.938 10.277 5.307 536 HA ARG 68 HA ARG 68 -4.447 10.163 2.701 537 1HB ARG 68 1HB ARG 68 -3.501 12.305 3.322 538 2HB ARG 68 2HB ARG 68 -5.244 12.353 3.356 539 1HG ARG 68 1HG ARG 68 -4.903 11.970 5.970 540 2HG ARG 68 2HG ARG 68 -3.258 12.545 5.624 541 1HD ARG 68 1HD ARG 68 -4.174 14.585 4.592 542 2HD ARG 68 2HD ARG 68 -5.820 13.959 4.756 543 HE ARG 68 HE ARG 68 -4.479 14.159 7.319 544 1HH1 ARG 68 2HH2 ARG 68 -6.471 15.898 4.945 545 2HH1 ARG 68 1HH2 ARG 68 -6.655 17.317 5.905 546 1HH2 ARG 68 2HH1 ARG 68 -4.985 15.772 8.704 547 2HH2 ARG 68 1HH1 ARG 68 -5.987 17.144 8.226 548 H THR 69 H THR 69 -4.166 9.397 6.121 549 HA THR 69 HA THR 69 -1.341 9.761 6.262 550 HB THR 69 HB THR 69 -1.863 8.418 8.480 551 HG1 THR 69 HG1 THR 69 -4.306 9.253 8.697 552 1HG2 THR 69 1HG2 THR 69 -3.066 11.159 7.814 553 2HG2 THR 69 2HG2 THR 69 -2.750 10.543 9.439 554 3HG2 THR 69 3HG2 THR 69 -1.402 10.836 8.345 555 H VAL 70 H VAL 70 0.264 8.277 6.273 556 HA VAL 70 HA VAL 70 -0.273 5.858 4.732 557 HB VAL 70 HB VAL 70 2.389 6.489 4.322 558 1HG1 VAL 70 2HG1 VAL 70 -0.036 7.575 2.832 559 2HG1 VAL 70 3HG1 VAL 70 1.618 7.419 2.182 560 3HG1 VAL 70 1HG1 VAL 70 0.706 5.971 2.616 561 1HG2 VAL 70 2HG2 VAL 70 2.145 8.684 5.596 562 2HG2 VAL 70 3HG2 VAL 70 2.610 8.850 3.899 563 3HG2 VAL 70 1HG2 VAL 70 0.951 9.190 4.381 564 HA PRO 71 HA PRO 71 2.053 4.305 4.003 565 1HB PRO 71 1HB PRO 71 1.884 1.581 4.301 566 2HB PRO 71 2HB PRO 71 3.334 2.515 4.744 567 1HG PRO 71 1HG PRO 71 1.076 1.606 6.552 568 2HG PRO 71 2HG PRO 71 2.845 1.464 6.830 569 1HD PRO 71 1HD PRO 71 1.427 3.457 7.945 570 2HD PRO 71 2HD PRO 71 3.073 3.746 7.302 571 H ARG 72 H ARG 72 0.716 3.224 2.347 572 HA ARG 72 HA ARG 72 -2.142 2.836 3.145 573 1HB ARG 72 1HB ARG 72 -1.572 5.182 2.461 574 2HB ARG 72 2HB ARG 72 -1.143 4.599 0.863 575 1HG ARG 72 1HG ARG 72 -3.320 4.327 0.220 576 2HG ARG 72 2HG ARG 72 -3.838 3.742 1.806 577 1HD ARG 72 1HD ARG 72 -3.132 6.661 1.282 578 2HD ARG 72 2HD ARG 72 -4.768 6.023 1.137 579 HE ARG 72 HE ARG 72 -3.190 6.405 3.613 580 1HH1 ARG 72 2HH2 ARG 72 -6.301 5.390 2.254 581 2HH1 ARG 72 1HH2 ARG 72 -6.910 4.770 3.745 582 1HH2 ARG 72 2HH1 ARG 72 -3.972 5.736 5.552 583 2HH2 ARG 72 1HH1 ARG 72 -5.542 4.939 5.677 584 H VAL 73 H VAL 73 -2.336 0.691 2.706 585 HA VAL 73 HA VAL 73 -0.741 -0.502 0.527 586 HB VAL 73 HB VAL 73 -2.397 -1.608 2.820 587 1HG1 VAL 73 2HG1 VAL 73 -0.999 -3.156 0.590 588 2HG1 VAL 73 3HG1 VAL 73 -1.650 -3.882 2.077 589 3HG1 VAL 73 1HG1 VAL 73 -2.741 -3.143 0.915 590 1HG2 VAL 73 3HG2 VAL 73 -0.161 -0.821 3.450 591 2HG2 VAL 73 1HG2 VAL 73 -0.256 -2.580 3.538 592 3HG2 VAL 73 2HG2 VAL 73 0.558 -1.847 2.175 593 H PHE 74 H PHE 74 -1.534 -0.962 -1.402 594 HA PHE 74 HA PHE 74 -4.437 -1.147 -1.910 595 1HB PHE 74 1HB PHE 74 -2.247 0.272 -3.364 596 2HB PHE 74 2HB PHE 74 -3.293 -0.719 -4.346 597 HD1 PHE 74 2HD PHE 74 -5.758 -0.380 -4.351 598 HD2 PHE 74 1HD PHE 74 -3.039 2.440 -2.584 599 HE1 PHE 74 2HE PHE 74 -7.440 1.409 -4.661 600 HE2 PHE 74 1HE PHE 74 -4.705 4.254 -2.918 601 HZ PHE 74 HZ PHE 74 -6.909 3.747 -3.964 602 H ILE 75 H ILE 75 -4.713 -3.318 -1.700 603 HA ILE 75 HA ILE 75 -2.831 -5.203 -3.037 604 HB ILE 75 HB ILE 75 -4.733 -5.414 -0.777 605 1HG1 ILE 75 1HG1 ILE 75 -3.315 -7.468 -0.360 606 2HG1 ILE 75 2HG1 ILE 75 -2.336 -6.985 -1.761 607 1HG2 ILE 75 2HG2 ILE 75 -4.681 -7.626 -2.890 608 2HG2 ILE 75 3HG2 ILE 75 -5.259 -7.833 -1.225 609 3HG2 ILE 75 1HG2 ILE 75 -6.109 -6.743 -2.294 610 1HD1 ILE 75 3HD1 ILE 75 -1.866 -4.880 -0.490 611 2HD1 ILE 75 1HD1 ILE 75 -2.658 -5.658 0.919 612 3HD1 ILE 75 2HD1 ILE 75 -1.203 -6.367 0.210 613 H GLY 76 H GLY 76 -3.156 -5.037 -5.176 614 1HA GLY 76 1HA GLY 76 -4.103 -4.806 -7.204 615 2HA GLY 76 2HA GLY 76 -5.116 -6.134 -6.663 616 H LYS 77 H LYS 77 -4.894 -2.656 -7.044 617 HA LYS 77 HA LYS 77 -6.251 -0.930 -6.734 618 1HB LYS 77 1HB LYS 77 -7.306 -2.804 -8.731 619 2HB LYS 77 2HB LYS 77 -8.556 -1.729 -8.154 620 1HG LYS 77 1HG LYS 77 -5.806 -0.768 -9.050 621 2HG LYS 77 2HG LYS 77 -7.146 -0.953 -10.125 622 1HD LYS 77 1HD LYS 77 -7.216 0.799 -7.624 623 2HD LYS 77 2HD LYS 77 -6.774 1.420 -9.203 624 1HE LYS 77 1HE LYS 77 -9.431 -0.011 -8.832 625 2HE LYS 77 2HE LYS 77 -9.240 1.655 -8.279 626 1HZ LYS 77 3HZ LYS 77 -8.607 0.838 -11.035 627 2HZ LYS 77 1HZ LYS 77 -10.068 1.441 -10.575 628 3HZ LYS 77 2HZ LYS 77 -8.715 2.365 -10.416 629 H ASP 78 H ASP 78 -6.782 -3.103 -4.529 630 HA ASP 78 HA ASP 78 -9.128 -1.575 -3.503 631 1HB ASP 78 1HB ASP 78 -9.241 -4.210 -3.802 632 2HB ASP 78 2HB ASP 78 -8.369 -4.202 -2.267 633 H CYS 79 H CYS 79 -8.490 -0.062 -2.123 634 HA CYS 79 HA CYS 79 -5.904 -0.130 -0.775 635 1HB CYS 79 1HB CYS 79 -6.972 2.002 -1.596 636 2HB CYS 79 2HB CYS 79 -8.206 1.818 -0.351 637 HG CYS 79 HG CYS 79 -6.728 1.962 1.665 638 H ILE 80 H ILE 80 -5.681 -1.435 1.065 639 HA ILE 80 HA ILE 80 -8.106 -2.475 2.296 640 HB ILE 80 HB ILE 80 -6.728 -3.989 3.349 641 1HG1 ILE 80 1HG1 ILE 80 -4.113 -3.787 2.980 642 2HG1 ILE 80 2HG1 ILE 80 -4.488 -2.056 2.950 643 1HG2 ILE 80 2HG2 ILE 80 -6.999 -4.272 0.888 644 2HG2 ILE 80 3HG2 ILE 80 -5.380 -3.578 0.666 645 3HG2 ILE 80 1HG2 ILE 80 -5.587 -5.095 1.570 646 1HD1 ILE 80 3HD1 ILE 80 -5.249 -4.015 5.170 647 2HD1 ILE 80 1HD1 ILE 80 -3.863 -2.893 5.205 648 3HD1 ILE 80 2HD1 ILE 80 -5.502 -2.261 5.218 649 H GLY 81 H GLY 81 -5.836 0.078 2.855 650 1HA GLY 81 1HA GLY 81 -6.873 1.804 4.444 651 2HA GLY 81 2HA GLY 81 -6.798 0.486 5.627 652 H GLY 82 H GLY 82 -5.357 1.572 6.876 653 1HA GLY 82 1HA GLY 82 -2.643 2.193 5.858 654 2HA GLY 82 2HA GLY 82 -3.367 2.872 7.330 655 H CYS 83 H CYS 83 -1.387 2.017 8.466 656 HA CYS 83 HA CYS 83 -0.843 -0.837 8.251 657 1HB CYS 83 1HB CYS 83 0.809 -0.386 10.117 658 2HB CYS 83 2HB CYS 83 1.135 0.338 8.540 659 HG CYS 83 HG CYS 83 -0.402 1.847 11.106 660 H SER 84 H SER 84 -2.816 1.247 10.377 661 HA SER 84 HA SER 84 -2.945 -0.576 12.541 662 1HB SER 84 1HB SER 84 -5.151 1.195 11.402 663 2HB SER 84 2HB SER 84 -5.120 0.532 13.044 664 HG SER 84 HG SER 84 -3.392 1.838 13.523 665 H ASP 85 H ASP 85 -4.922 -0.276 9.565 666 HA ASP 85 HA ASP 85 -6.554 -2.588 10.076 667 1HB ASP 85 1HB ASP 85 -6.080 -0.666 7.815 668 2HB ASP 85 2HB ASP 85 -6.770 -2.216 7.393 669 H LEU 86 H LEU 86 -3.579 -2.002 8.202 670 HA LEU 86 HA LEU 86 -3.277 -4.543 7.090 671 1HB LEU 86 1HB LEU 86 -1.865 -2.394 6.771 672 2HB LEU 86 2HB LEU 86 -1.000 -2.909 8.232 673 HG LEU 86 HG LEU 86 -0.365 -5.026 7.062 674 1HD1 LEU 86 1HD1 LEU 86 -1.742 -3.671 4.715 675 2HD1 LEU 86 2HD1 LEU 86 -0.552 -4.981 4.532 676 3HD1 LEU 86 3HD1 LEU 86 -2.064 -5.266 5.396 677 1HD2 LEU 86 3HD2 LEU 86 0.408 -2.373 5.754 678 2HD2 LEU 86 1HD2 LEU 86 1.129 -3.074 7.213 679 3HD2 LEU 86 2HD2 LEU 86 1.350 -3.877 5.659 680 H VAL 87 H VAL 87 -2.366 -3.499 10.505 681 HA VAL 87 HA VAL 87 -1.101 -5.900 11.176 682 HB VAL 87 HB VAL 87 -2.410 -3.587 12.650 683 1HG1 VAL 87 1HG1 VAL 87 -1.104 -6.054 13.831 684 2HG1 VAL 87 2HG1 VAL 87 -1.424 -4.537 14.727 685 3HG1 VAL 87 3HG1 VAL 87 -2.773 -5.486 14.089 686 1HG2 VAL 87 1HG2 VAL 87 -0.127 -3.334 11.506 687 2HG2 VAL 87 2HG2 VAL 87 -0.187 -2.968 13.233 688 3HG2 VAL 87 3HG2 VAL 87 0.487 -4.516 12.666 689 H SER 88 H SER 88 -4.621 -4.851 11.324 690 HA SER 88 HA SER 88 -5.545 -7.171 12.760 691 1HB SER 88 1HB SER 88 -6.873 -5.226 10.845 692 2HB SER 88 2HB SER 88 -7.498 -6.852 10.853 693 HG SER 88 HG SER 88 -8.650 -5.771 12.299 694 H LEU 89 H LEU 89 -5.413 -6.380 9.231 695 HA LEU 89 HA LEU 89 -6.385 -8.912 8.544 696 1HB LEU 89 1HB LEU 89 -5.037 -6.722 6.926 697 2HB LEU 89 2HB LEU 89 -5.522 -8.249 6.222 698 HG LEU 89 HG LEU 89 -7.860 -7.818 7.228 699 1HD1 LEU 89 1HD1 LEU 89 -6.900 -4.949 7.061 700 2HD1 LEU 89 2HD1 LEU 89 -8.580 -5.491 7.239 701 3HD1 LEU 89 3HD1 LEU 89 -7.432 -5.808 8.528 702 1HD2 LEU 89 3HD2 LEU 89 -7.321 -7.940 4.813 703 2HD2 LEU 89 1HD2 LEU 89 -8.532 -6.706 5.146 704 3HD2 LEU 89 2HD2 LEU 89 -6.853 -6.222 4.834 705 H GLN 90 H GLN 90 -3.019 -7.926 9.190 706 HA GLN 90 HA GLN 90 -1.923 -10.402 8.161 707 1HB GLN 90 1HB GLN 90 -0.534 -8.373 8.586 708 2HB GLN 90 2HB GLN 90 -0.829 -8.563 10.322 709 1HG GLN 90 1HG GLN 90 0.222 -10.875 10.151 710 2HG GLN 90 2HG GLN 90 0.614 -10.520 8.470 711 1HE2 GLN 90 2HE2 GLN 90 3.676 -9.081 9.570 712 2HE2 GLN 90 1HE2 GLN 90 2.827 -9.798 8.230 713 H GLN 91 H GLN 91 -2.894 -9.331 11.557 714 HA GLN 91 HA GLN 91 -2.140 -11.746 12.737 715 1HB GLN 91 1HB GLN 91 -3.132 -9.141 13.422 716 2HB GLN 91 2HB GLN 91 -4.254 -10.241 14.148 717 1HG GLN 91 1HG GLN 91 -1.244 -10.547 14.484 718 2HG GLN 91 2HG GLN 91 -2.187 -9.383 15.376 719 1HE2 GLN 91 2HE2 GLN 91 -3.316 -13.231 16.296 720 2HE2 GLN 91 1HE2 GLN 91 -3.347 -12.828 14.593 721 H SER 92 H SER 92 -5.284 -10.602 11.583 722 HA SER 92 HA SER 92 -6.941 -12.852 12.340 723 1HB SER 92 1HB SER 92 -7.605 -10.411 11.911 724 2HB SER 92 2HB SER 92 -7.279 -10.685 10.201 725 HG SER 92 HG SER 92 -9.402 -10.964 10.428 726 H GLY 93 H GLY 93 -4.594 -12.190 9.830 727 1HA GLY 93 1HA GLY 93 -3.876 -13.406 8.080 728 2HA GLY 93 2HA GLY 93 -5.057 -14.676 8.453 729 H GLU 94 H GLU 94 -6.630 -11.473 8.123 730 HA GLU 94 HA GLU 94 -8.176 -12.541 5.966 731 1HB GLU 94 1HB GLU 94 -7.867 -10.095 7.654 732 2HB GLU 94 2HB GLU 94 -8.454 -9.757 6.036 733 1HG GLU 94 1HG GLU 94 -10.430 -11.012 6.337 734 2HG GLU 94 2HG GLU 94 -9.780 -11.855 7.759 735 H LEU 95 H LEU 95 -5.285 -10.609 6.217 736 HA LEU 95 HA LEU 95 -5.156 -9.365 3.709 737 1HB LEU 95 1HB LEU 95 -3.652 -9.180 5.879 738 2HB LEU 95 2HB LEU 95 -2.714 -10.451 5.146 739 HG LEU 95 HG LEU 95 -2.221 -8.938 3.262 740 1HD1 LEU 95 2HD1 LEU 95 -3.868 -6.865 4.786 741 2HD1 LEU 95 3HD1 LEU 95 -2.811 -6.520 3.398 742 3HD1 LEU 95 1HD1 LEU 95 -4.248 -7.508 3.175 743 1HD2 LEU 95 1HD2 LEU 95 -1.739 -7.739 6.019 744 2HD2 LEU 95 2HD2 LEU 95 -0.761 -8.990 5.222 745 3HD2 LEU 95 3HD2 LEU 95 -0.818 -7.360 4.547 746 H LEU 96 H LEU 96 -4.266 -12.697 4.671 747 HA LEU 96 HA LEU 96 -2.732 -13.251 2.290 748 1HB LEU 96 1HB LEU 96 -4.125 -15.083 4.304 749 2HB LEU 96 2HB LEU 96 -3.229 -15.685 2.931 750 HG LEU 96 HG LEU 96 -1.874 -15.875 4.859 751 1HD1 LEU 96 1HD1 LEU 96 -0.712 -15.277 2.756 752 2HD1 LEU 96 2HD1 LEU 96 -0.737 -13.563 3.235 753 3HD1 LEU 96 3HD1 LEU 96 0.157 -14.757 4.198 754 1HD2 LEU 96 3HD2 LEU 96 -2.890 -14.092 6.242 755 2HD2 LEU 96 1HD2 LEU 96 -1.127 -14.091 6.282 756 3HD2 LEU 96 2HD2 LEU 96 -1.979 -12.867 5.321 757 H THR 97 H THR 97 -6.169 -13.909 3.213 758 HA THR 97 HA THR 97 -6.904 -15.075 0.731 759 HB THR 97 HB THR 97 -8.567 -13.452 2.729 760 HG1 THR 97 HG1 THR 97 -8.693 -15.297 3.894 761 1HG2 THR 97 3HG2 THR 97 -9.350 -15.727 0.847 762 2HG2 THR 97 1HG2 THR 97 -10.409 -14.973 2.062 763 3HG2 THR 97 2HG2 THR 97 -9.831 -14.019 0.688 764 H ARG 98 H ARG 98 -7.096 -11.685 1.935 765 HA ARG 98 HA ARG 98 -8.212 -10.467 -0.309 766 1HB ARG 98 1HB ARG 98 -6.881 -9.670 2.133 767 2HB ARG 98 2HB ARG 98 -6.165 -8.725 0.855 768 1HG ARG 98 1HG ARG 98 -9.183 -8.998 1.125 769 2HG ARG 98 2HG ARG 98 -8.283 -7.846 2.114 770 1HD ARG 98 1HD ARG 98 -7.926 -6.393 0.409 771 2HD ARG 98 2HD ARG 98 -7.539 -7.675 -0.727 772 HE ARG 98 HE ARG 98 -9.635 -7.787 -1.496 773 1HH1 ARG 98 2HH2 ARG 98 -9.819 -5.815 1.523 774 2HH1 ARG 98 1HH2 ARG 98 -11.286 -5.059 1.035 775 1HH2 ARG 98 2HH1 ARG 98 -11.742 -6.899 -1.910 776 2HH2 ARG 98 1HH1 ARG 98 -12.456 -5.798 -0.758 777 H LEU 99 H LEU 99 -4.682 -11.041 0.288 778 HA LEU 99 HA LEU 99 -3.840 -10.057 -2.239 779 1HB LEU 99 1HB LEU 99 -2.684 -11.801 -0.014 780 2HB LEU 99 2HB LEU 99 -1.913 -11.843 -1.570 781 HG LEU 99 HG LEU 99 -2.110 -9.162 -1.328 782 1HD1 LEU 99 2HD1 LEU 99 -1.656 -10.237 1.486 783 2HD1 LEU 99 3HD1 LEU 99 -1.340 -8.566 0.984 784 3HD1 LEU 99 1HD1 LEU 99 -2.991 -9.185 0.966 785 1HD2 LEU 99 3HD2 LEU 99 0.060 -10.918 -0.190 786 2HD2 LEU 99 1HD2 LEU 99 -0.087 -10.368 -1.884 787 3HD2 LEU 99 2HD2 LEU 99 0.245 -9.194 -0.606 788 H LYS 100 H LYS 100 -4.622 -13.469 -1.244 789 HA LYS 100 HA LYS 100 -3.378 -14.256 -3.678 790 1HB LYS 100 1HB LYS 100 -4.303 -15.702 -1.549 791 2HB LYS 100 2HB LYS 100 -5.424 -16.214 -2.780 792 1HG LYS 100 1HG LYS 100 -3.145 -16.218 -4.312 793 2HG LYS 100 2HG LYS 100 -2.402 -16.504 -2.768 794 1HD LYS 100 1HD LYS 100 -3.777 -18.566 -2.502 795 2HD LYS 100 2HD LYS 100 -4.568 -18.224 -4.044 796 1HE LYS 100 1HE LYS 100 -1.615 -18.906 -3.607 797 2HE LYS 100 2HE LYS 100 -2.856 -19.914 -4.371 798 1HZ LYS 100 1HZ LYS 100 -2.976 -17.938 -6.030 799 2HZ LYS 100 2HZ LYS 100 -1.462 -17.588 -5.448 800 3HZ LYS 100 3HZ LYS 100 -1.728 -19.004 -6.155 801 H GLN 101 H GLN 101 -6.629 -13.427 -3.075 802 HA GLN 101 HA GLN 101 -7.914 -14.032 -5.490 803 1HB GLN 101 1HB GLN 101 -9.021 -12.726 -3.736 804 2HB GLN 101 2HB GLN 101 -8.027 -11.312 -4.130 805 1HG GLN 101 1HG GLN 101 -8.999 -11.277 -6.436 806 2HG GLN 101 2HG GLN 101 -9.996 -12.679 -6.025 807 1HE2 GLN 101 2HE2 GLN 101 -11.533 -9.118 -5.311 808 2HE2 GLN 101 1HE2 GLN 101 -10.351 -9.457 -6.551 809 H ILE 102 H ILE 102 -5.468 -11.349 -5.029 810 HA ILE 102 HA ILE 102 -5.724 -10.631 -7.835 811 HB ILE 102 HB ILE 102 -4.391 -8.804 -7.400 812 1HG1 ILE 102 1HG1 ILE 102 -3.497 -9.053 -4.644 813 2HG1 ILE 102 2HG1 ILE 102 -2.962 -10.437 -5.546 814 1HG2 ILE 102 3HG2 ILE 102 -6.586 -8.697 -6.271 815 2HG2 ILE 102 1HG2 ILE 102 -5.859 -9.340 -4.769 816 3HG2 ILE 102 2HG2 ILE 102 -5.352 -7.776 -5.374 817 1HD1 ILE 102 3HD1 ILE 102 -1.962 -8.960 -7.264 818 2HD1 ILE 102 1HD1 ILE 102 -2.497 -7.549 -6.318 819 3HD1 ILE 102 2HD1 ILE 102 -1.293 -8.683 -5.657 820 H GLY 103 H GLY 103 -4.472 -13.339 -6.701 821 1HA GLY 103 1HA GLY 103 -3.114 -14.896 -7.683 822 2HA GLY 103 2HA GLY 103 -2.710 -13.726 -8.943 823 H ALA 104 H ALA 104 -2.216 -13.258 -5.401 824 HA ALA 104 HA ALA 104 0.619 -12.553 -5.932 825 1HB ALA 104 3HB ALA 104 -1.225 -12.500 -3.484 826 2HB ALA 104 1HB ALA 104 0.449 -11.908 -3.505 827 3HB ALA 104 2HB ALA 104 -0.802 -11.097 -4.487 828 H LEU 105 H LEU 105 -0.847 -14.561 -3.224 829 HA LEU 105 HA LEU 105 1.707 -15.247 -2.629 830 1HB LEU 105 1HB LEU 105 -0.367 -17.219 -1.901 831 2HB LEU 105 2HB LEU 105 0.935 -16.560 -0.982 832 HG LEU 105 HG LEU 105 -1.532 -14.901 -1.546 833 1HD1 LEU 105 2HD1 LEU 105 -0.848 -16.615 0.872 834 2HD1 LEU 105 3HD1 LEU 105 -2.203 -15.464 0.756 835 3HD1 LEU 105 1HD1 LEU 105 -2.170 -16.896 -0.278 836 1HD2 LEU 105 3HD2 LEU 105 0.491 -13.606 -0.988 837 2HD2 LEU 105 1HD2 LEU 105 -0.721 -13.521 0.305 838 3HD2 LEU 105 2HD2 LEU 105 0.705 -14.563 0.483 839 H GLN 106 H GLN 106 3.113 -16.797 -3.049 840 HA GLN 106 HA GLN 106 2.777 -19.187 -4.531 841 1HB GLN 106 2HB GLN 106 2.804 -17.393 -6.344 842 2HB GLN 106 3HB GLN 106 4.338 -16.805 -5.667 843 1HG GLN 106 2HG GLN 106 5.329 -19.077 -6.072 844 2HG GLN 106 3HG GLN 106 3.786 -19.582 -6.748 845 1HE2 GLN 106 2HE2 GLN 106 4.811 -18.497 -9.994 846 2HE2 GLN 106 1HE2 GLN 106 3.789 -19.497 -8.998 No H/Q in entry = 846 Start of MODEL 2 1 1H ALA 2 2H ALA 2 -2.556 14.374 -9.491 2 2H ALA 2 3H ALA 2 -3.313 14.625 -8.036 3 3H ALA 2 1H ALA 2 -1.698 14.869 -8.194 4 HA ALA 2 HA ALA 2 -1.232 12.650 -8.562 5 1HB ALA 2 2HB ALA 2 -1.352 13.429 -6.227 6 2HB ALA 2 3HB ALA 2 -3.040 12.873 -6.150 7 3HB ALA 2 1HB ALA 2 -1.734 11.702 -6.399 8 H GLN 3 H GLN 3 -4.629 13.195 -9.268 9 HA GLN 3 HA GLN 3 -5.561 10.556 -9.158 10 1HB GLN 3 1HB GLN 3 -6.830 12.799 -9.379 11 2HB GLN 3 2HB GLN 3 -6.493 12.678 -11.105 12 1HG GLN 3 1HG GLN 3 -7.582 10.233 -10.746 13 2HG GLN 3 2HG GLN 3 -8.297 11.003 -9.355 14 1HE2 GLN 3 2HE2 GLN 3 -10.185 11.365 -12.790 15 2HE2 GLN 3 1HE2 GLN 3 -9.093 10.069 -12.328 16 H GLU 4 H GLU 4 -2.988 10.388 -10.373 17 HA GLU 4 HA GLU 4 -3.403 8.854 -12.776 18 1HB GLU 4 1HB GLU 4 -3.491 11.031 -13.836 19 2HB GLU 4 2HB GLU 4 -2.116 11.594 -12.901 20 1HG GLU 4 1HG GLU 4 -0.722 9.768 -14.082 21 2HG GLU 4 2HG GLU 4 -2.129 9.483 -15.105 22 H PHE 5 H PHE 5 -0.841 10.863 -11.088 23 HA PHE 5 HA PHE 5 1.118 8.931 -11.277 24 1HB PHE 5 1HB PHE 5 1.617 11.172 -10.470 25 2HB PHE 5 2HB PHE 5 0.759 10.856 -8.959 26 HD1 PHE 5 1HD PHE 5 3.626 9.637 -11.077 27 HD2 PHE 5 2HD PHE 5 1.908 9.782 -7.127 28 HE1 PHE 5 1HE PHE 5 5.668 8.582 -10.148 29 HE2 PHE 5 2HE PHE 5 3.972 8.749 -6.201 30 HZ PHE 5 HZ PHE 5 5.846 8.140 -7.711 31 H VAL 6 H VAL 6 -1.179 9.254 -8.498 32 HA VAL 6 HA VAL 6 -0.338 6.786 -7.260 33 HB VAL 6 HB VAL 6 -2.555 8.782 -6.957 34 1HG1 VAL 6 3HG1 VAL 6 -2.752 6.087 -5.595 35 2HG1 VAL 6 1HG1 VAL 6 -3.675 7.538 -5.182 36 3HG1 VAL 6 2HG1 VAL 6 -3.903 6.760 -6.753 37 1HG2 VAL 6 1HG2 VAL 6 -0.309 8.933 -5.801 38 2HG2 VAL 6 2HG2 VAL 6 -1.703 8.915 -4.697 39 3HG2 VAL 6 3HG2 VAL 6 -0.719 7.466 -4.912 40 H ASN 7 H ASN 7 -3.002 7.600 -9.541 41 HA ASN 7 HA ASN 7 -4.252 5.069 -9.292 42 1HB ASN 7 1HB ASN 7 -4.442 7.173 -11.474 43 2HB ASN 7 2HB ASN 7 -5.385 5.679 -11.487 44 1HD2 ASN 7 2HD2 ASN 7 -7.532 8.194 -9.807 45 2HD2 ASN 7 1HD2 ASN 7 -6.887 8.035 -11.428 46 H CYS 8 H CYS 8 -2.084 6.238 -11.914 47 HA CYS 8 HA CYS 8 -1.934 3.716 -13.261 48 1HB CYS 8 1HB CYS 8 -0.196 6.197 -13.435 49 2HB CYS 8 2HB CYS 8 -0.123 4.804 -14.521 50 HG CYS 8 HG CYS 8 -1.268 6.581 -15.809 51 H LYS 9 H LYS 9 -0.631 4.634 -10.229 52 HA LYS 9 HA LYS 9 1.734 2.916 -10.490 53 1HB LYS 9 1HB LYS 9 0.944 4.933 -8.585 54 2HB LYS 9 2HB LYS 9 1.156 3.408 -7.751 55 1HG LYS 9 1HG LYS 9 3.243 4.692 -7.826 56 2HG LYS 9 2HG LYS 9 3.360 3.138 -8.624 57 1HD LYS 9 1HD LYS 9 2.922 4.619 -10.815 58 2HD LYS 9 2HD LYS 9 3.452 5.933 -9.768 59 1HE LYS 9 1HE LYS 9 5.318 5.074 -11.052 60 2HE LYS 9 2HE LYS 9 5.571 4.671 -9.352 61 1HZ LYS 9 2HZ LYS 9 4.418 2.768 -11.327 62 2HZ LYS 9 3HZ LYS 9 6.013 2.797 -10.880 63 3HZ LYS 9 1HZ LYS 9 4.866 2.425 -9.795 64 H ILE 10 H ILE 10 -1.675 2.522 -9.691 65 HA ILE 10 HA ILE 10 -0.997 -0.206 -8.746 66 HB ILE 10 HB ILE 10 -3.742 0.923 -8.506 67 1HG1 ILE 10 1HG1 ILE 10 -2.528 1.409 -5.930 68 2HG1 ILE 10 2HG1 ILE 10 -1.587 2.289 -7.093 69 1HG2 ILE 10 2HG2 ILE 10 -2.058 -0.936 -6.764 70 2HG2 ILE 10 3HG2 ILE 10 -3.704 -0.453 -6.395 71 3HG2 ILE 10 1HG2 ILE 10 -3.389 -1.404 -7.842 72 1HD1 ILE 10 2HD1 ILE 10 -4.627 2.400 -6.798 73 2HD1 ILE 10 3HD1 ILE 10 -3.483 3.641 -6.257 74 3HD1 ILE 10 1HD1 ILE 10 -3.686 3.319 -7.991 75 H GLN 11 H GLN 11 -2.636 -1.816 -9.465 76 HA GLN 11 HA GLN 11 -4.197 -1.408 -11.826 77 1HB GLN 11 1HB GLN 11 -3.075 -3.253 -13.097 78 2HB GLN 11 2HB GLN 11 -2.048 -1.850 -12.928 79 1HG GLN 11 1HG GLN 11 -0.472 -2.958 -11.772 80 2HG GLN 11 2HG GLN 11 -1.627 -3.639 -10.664 81 1HE2 GLN 11 2HE2 GLN 11 -1.963 -6.599 -12.996 82 2HE2 GLN 11 1HE2 GLN 11 -3.011 -5.208 -13.130 83 HA PRO 12 HA PRO 12 -6.091 -4.702 -9.424 84 1HB PRO 12 1HB PRO 12 -7.716 -6.024 -11.159 85 2HB PRO 12 2HB PRO 12 -7.917 -4.303 -10.719 86 1HG PRO 12 1HG PRO 12 -6.495 -5.398 -13.172 87 2HG PRO 12 2HG PRO 12 -7.826 -4.191 -13.118 88 1HD PRO 12 1HD PRO 12 -5.222 -3.426 -13.212 89 2HD PRO 12 2HD PRO 12 -6.413 -2.524 -12.240 90 H GLY 13 H GLY 13 -3.609 -5.332 -9.573 91 1HA GLY 13 1HA GLY 13 -3.492 -8.087 -9.096 92 2HA GLY 13 2HA GLY 13 -2.961 -7.882 -10.739 93 H LYS 14 H LYS 14 -2.111 -5.262 -8.536 94 HA LYS 14 HA LYS 14 0.575 -6.433 -8.054 95 1HB LYS 14 1HB LYS 14 0.165 -4.315 -9.755 96 2HB LYS 14 2HB LYS 14 0.348 -3.455 -8.238 97 1HG LYS 14 1HG LYS 14 2.591 -4.445 -8.022 98 2HG LYS 14 2HG LYS 14 2.308 -5.483 -9.432 99 1HD LYS 14 1HD LYS 14 3.734 -3.606 -10.025 100 2HD LYS 14 2HD LYS 14 2.174 -3.445 -10.851 101 1HE LYS 14 1HE LYS 14 1.432 -1.853 -9.066 102 2HE LYS 14 2HE LYS 14 3.021 -1.995 -8.290 103 1HZ LYS 14 2HZ LYS 14 2.631 -1.053 -11.052 104 2HZ LYS 14 3HZ LYS 14 2.639 -0.043 -9.767 105 3HZ LYS 14 1HZ LYS 14 4.003 -0.906 -10.121 106 H VAL 15 H VAL 15 1.530 -5.553 -5.993 107 HA VAL 15 HA VAL 15 -0.563 -4.834 -4.029 108 HB VAL 15 HB VAL 15 2.136 -6.223 -3.682 109 1HG1 VAL 15 2HG1 VAL 15 -0.180 -5.568 -1.889 110 2HG1 VAL 15 3HG1 VAL 15 1.099 -6.685 -1.371 111 3HG1 VAL 15 1HG1 VAL 15 1.442 -4.970 -1.683 112 1HG2 VAL 15 2HG2 VAL 15 -0.654 -7.426 -3.702 113 2HG2 VAL 15 3HG2 VAL 15 0.698 -7.797 -4.794 114 3HG2 VAL 15 1HG2 VAL 15 0.810 -8.248 -3.104 115 H VAL 16 H VAL 16 -0.466 -2.549 -4.005 116 HA VAL 16 HA VAL 16 2.271 -1.366 -4.217 117 HB VAL 16 HB VAL 16 -0.434 -0.134 -4.853 118 1HG1 VAL 16 2HG1 VAL 16 2.407 0.811 -5.444 119 2HG1 VAL 16 3HG1 VAL 16 0.911 1.609 -5.984 120 3HG1 VAL 16 1HG1 VAL 16 1.315 1.569 -4.268 121 1HG2 VAL 16 2HG2 VAL 16 1.764 -1.368 -6.573 122 2HG2 VAL 16 3HG2 VAL 16 0.072 -1.896 -6.470 123 3HG2 VAL 16 1HG2 VAL 16 0.468 -0.345 -7.214 124 H VAL 17 H VAL 17 2.917 0.168 -2.692 125 HA VAL 17 HA VAL 17 0.959 0.867 -0.597 126 HB VAL 17 HB VAL 17 3.837 0.462 0.193 127 1HG1 VAL 17 2HG1 VAL 17 1.186 0.465 1.676 128 2HG1 VAL 17 3HG1 VAL 17 2.785 0.236 2.430 129 3HG1 VAL 17 1HG1 VAL 17 2.343 1.763 1.643 130 1HG2 VAL 17 3HG2 VAL 17 1.791 -1.765 0.076 131 2HG2 VAL 17 1HG2 VAL 17 3.412 -1.716 -0.623 132 3HG2 VAL 17 2HG2 VAL 17 3.222 -1.773 1.134 133 H PHE 18 H PHE 18 0.718 3.051 -0.759 134 HA PHE 18 HA PHE 18 2.926 4.695 -1.800 135 1HB PHE 18 1HB PHE 18 0.266 5.587 -0.568 136 2HB PHE 18 2HB PHE 18 1.377 6.614 -1.477 137 HD1 PHE 18 1HD PHE 18 2.029 5.905 -3.843 138 HD2 PHE 18 2HD PHE 18 -1.531 4.568 -1.817 139 HE1 PHE 18 1HE PHE 18 1.061 5.181 -6.020 140 HE2 PHE 18 2HE PHE 18 -2.504 3.878 -4.002 141 HZ PHE 18 HZ PHE 18 -1.185 4.172 -6.088 142 H ILE 19 H ILE 19 4.543 5.331 -0.497 143 HA ILE 19 HA ILE 19 4.272 5.404 2.439 144 HB ILE 19 HB ILE 19 6.484 4.184 2.543 145 1HG1 ILE 19 1HG1 ILE 19 6.643 2.581 0.376 146 2HG1 ILE 19 2HG1 ILE 19 6.122 4.008 -0.447 147 1HG2 ILE 19 2HG2 ILE 19 4.287 3.103 2.951 148 2HG2 ILE 19 3HG2 ILE 19 4.340 2.522 1.268 149 3HG2 ILE 19 1HG2 ILE 19 5.573 1.999 2.434 150 1HD1 ILE 19 3HD1 ILE 19 8.572 3.787 1.346 151 2HD1 ILE 19 1HD1 ILE 19 8.561 3.813 -0.432 152 3HD1 ILE 19 2HD1 ILE 19 8.072 5.256 0.472 153 H LYS 20 H LYS 20 6.545 6.157 3.290 154 HA LYS 20 HA LYS 20 7.912 8.085 1.533 155 1HB LYS 20 1HB LYS 20 8.269 9.306 3.930 156 2HB LYS 20 2HB LYS 20 7.016 9.761 2.773 157 1HG LYS 20 1HG LYS 20 5.337 8.468 4.016 158 2HG LYS 20 2HG LYS 20 6.591 7.896 5.112 159 1HD LYS 20 1HD LYS 20 5.343 9.607 6.209 160 2HD LYS 20 2HD LYS 20 6.942 10.267 5.866 161 1HE LYS 20 1HE LYS 20 5.997 11.494 3.902 162 2HE LYS 20 2HE LYS 20 4.412 10.765 4.216 163 1HZ LYS 20 3HZ LYS 20 4.531 11.880 6.440 164 2HZ LYS 20 1HZ LYS 20 5.849 12.720 5.872 165 3HZ LYS 20 2HZ LYS 20 4.406 12.916 5.172 166 HA PRO 21 HA PRO 21 11.139 5.457 2.496 167 1HB PRO 21 1HB PRO 21 13.428 6.938 2.458 168 2HB PRO 21 2HB PRO 21 12.340 6.813 1.046 169 1HG PRO 21 1HG PRO 21 12.426 9.023 3.126 170 2HG PRO 21 2HG PRO 21 12.454 9.184 1.340 171 1HD PRO 21 1HD PRO 21 10.137 9.402 2.774 172 2HD PRO 21 2HD PRO 21 10.178 8.654 1.163 173 H THR 22 H THR 22 9.966 6.975 5.021 174 HA THR 22 HA THR 22 11.986 6.214 6.946 175 HB THR 22 HB THR 22 12.759 8.195 6.937 176 HG1 THR 22 HG1 THR 22 11.940 9.338 8.695 177 1HG2 THR 22 3HG2 THR 22 9.968 9.041 6.338 178 2HG2 THR 22 1HG2 THR 22 11.291 10.185 6.757 179 3HG2 THR 22 2HG2 THR 22 11.456 9.150 5.336 180 H CYS 23 H CSN 23 9.343 8.016 8.061 181 HA CYS 23 HA CSN 23 7.642 7.600 9.384 182 1HB CYS 23 2HB CSN 23 6.615 8.022 7.326 183 2HB CYS 23 3HB CSN 23 6.791 6.356 6.817 184 HA PRO 24 HA PRO 24 8.433 3.616 11.226 185 1HB PRO 24 1HB PRO 24 7.000 3.858 13.557 186 2HB PRO 24 2HB PRO 24 8.563 4.686 13.267 187 1HG PRO 24 1HG PRO 24 5.786 5.829 12.916 188 2HG PRO 24 2HG PRO 24 7.175 6.540 13.798 189 1HD PRO 24 1HD PRO 24 6.589 7.237 11.230 190 2HD PRO 24 2HD PRO 24 8.289 7.094 11.776 191 H TYR 25 H TYR 25 5.332 4.874 10.223 192 HA TYR 25 HA TYR 25 3.947 2.328 10.728 193 1HB TYR 25 1HB TYR 25 3.037 4.878 9.342 194 2HB TYR 25 2HB TYR 25 2.047 3.454 9.639 195 HD1 TYR 25 1HD TYR 25 1.285 2.844 11.924 196 HD2 TYR 25 2HD TYR 25 3.773 6.301 11.214 197 HE1 TYR 25 1HE TYR 25 0.912 3.582 14.247 198 HE2 TYR 25 2HE TYR 25 3.417 7.046 13.523 199 HH TYR 25 HH TYR 25 2.026 6.731 15.422 200 H CYS 26 H CYS 26 5.314 4.262 8.014 201 HA CYS 26 HA CYS 26 4.637 2.429 5.922 202 1HB CYS 26 1HB CYS 26 6.954 4.411 6.251 203 2HB CYS 26 2HB CYS 26 6.642 3.495 4.787 204 HG CYS 26 HG CYS 26 4.846 5.780 6.296 205 H ARG 27 H ARG 27 7.520 2.732 8.040 206 HA ARG 27 HA ARG 27 9.055 0.606 7.053 207 1HB ARG 27 1HB ARG 27 9.692 2.279 8.908 208 2HB ARG 27 2HB ARG 27 8.806 1.243 10.022 209 1HG ARG 27 1HG ARG 27 10.187 -0.716 9.195 210 2HG ARG 27 2HG ARG 27 11.139 0.409 8.239 211 1HD ARG 27 1HD ARG 27 11.905 1.530 10.306 212 2HD ARG 27 2HD ARG 27 10.926 0.425 11.285 213 HE ARG 27 HE ARG 27 13.471 -0.101 9.946 214 1HH1 ARG 27 2HH2 ARG 27 10.784 -1.736 11.581 215 2HH1 ARG 27 1HH2 ARG 27 11.169 -3.314 11.027 216 1HH2 ARG 27 2HH1 ARG 27 14.185 -2.079 9.410 217 2HH2 ARG 27 1HH1 ARG 27 13.346 -3.534 9.833 218 H ARG 28 H ARG 28 6.572 0.460 9.681 219 HA ARG 28 HA ARG 28 6.800 -2.327 10.099 220 1HB ARG 28 1HB ARG 28 5.364 -0.734 11.495 221 2HB ARG 28 2HB ARG 28 4.188 -0.761 10.207 222 1HG ARG 28 1HG ARG 28 3.289 -2.557 11.349 223 2HG ARG 28 2HG ARG 28 4.447 -3.434 10.434 224 1HD ARG 28 1HD ARG 28 5.566 -4.132 12.215 225 2HD ARG 28 2HD ARG 28 5.830 -2.501 12.806 226 HE ARG 28 HE ARG 28 3.806 -4.420 13.628 227 1HH1 ARG 28 2HH2 ARG 28 4.970 -1.103 14.017 228 2HH1 ARG 28 1HH2 ARG 28 3.556 -0.514 14.832 229 1HH2 ARG 28 2HH1 ARG 28 2.080 -3.768 14.984 230 2HH2 ARG 28 1HH1 ARG 28 1.880 -2.095 15.471 231 H ALA 29 H ALA 29 4.475 -0.577 8.029 232 HA ALA 29 HA ALA 29 3.211 -2.868 7.033 233 1HB ALA 29 1HB ALA 29 3.677 -0.229 5.557 234 2HB ALA 29 2HB ALA 29 2.493 -1.470 5.090 235 3HB ALA 29 3HB ALA 29 2.313 -0.624 6.640 236 H GLN 30 H GLN 30 6.250 -1.311 5.703 237 HA GLN 30 HA GLN 30 6.613 -2.970 3.566 238 1HB GLN 30 1HB GLN 30 8.137 -1.028 5.184 239 2HB GLN 30 2HB GLN 30 9.150 -2.421 4.938 240 1HG GLN 30 1HG GLN 30 9.533 -1.935 2.795 241 2HG GLN 30 2HG GLN 30 7.812 -1.877 2.515 242 1HE2 GLN 30 2HE2 GLN 30 8.112 1.880 3.379 243 2HE2 GLN 30 1HE2 GLN 30 7.366 0.584 4.310 244 H GLU 31 H GLU 31 7.727 -3.546 6.999 245 HA GLU 31 HA GLU 31 9.099 -5.826 6.341 246 1HB GLU 31 1HB GLU 31 9.353 -3.997 8.184 247 2HB GLU 31 2HB GLU 31 7.843 -4.574 8.891 248 1HG GLU 31 1HG GLU 31 9.062 -6.850 8.918 249 2HG GLU 31 2HG GLU 31 10.516 -5.800 8.790 250 H ILE 32 H ILE 32 5.959 -5.155 7.781 251 HA ILE 32 HA ILE 32 4.998 -7.761 8.341 252 HB ILE 32 HB ILE 32 3.842 -5.050 7.695 253 1HG1 ILE 32 1HG1 ILE 32 3.665 -6.990 10.057 254 2HG1 ILE 32 2HG1 ILE 32 4.659 -5.550 9.956 255 1HG2 ILE 32 3HG2 ILE 32 2.185 -7.543 7.820 256 2HG2 ILE 32 1HG2 ILE 32 1.527 -5.914 8.065 257 3HG2 ILE 32 2HG2 ILE 32 2.257 -6.297 6.530 258 1HD1 ILE 32 3HD1 ILE 32 2.455 -4.221 9.713 259 2HD1 ILE 32 1HD1 ILE 32 1.629 -5.711 10.200 260 3HD1 ILE 32 2HD1 ILE 32 2.787 -4.971 11.300 261 H LEU 33 H LEU 33 4.730 -5.745 5.323 262 HA LEU 33 HA LEU 33 3.327 -7.967 4.100 263 1HB LEU 33 1HB LEU 33 4.436 -5.379 2.923 264 2HB LEU 33 2HB LEU 33 3.753 -6.649 1.928 265 HG LEU 33 HG LEU 33 2.244 -5.018 4.014 266 1HD1 LEU 33 3HD1 LEU 33 1.988 -5.289 0.988 267 2HD1 LEU 33 1HD1 LEU 33 0.953 -4.312 2.035 268 3HD1 LEU 33 2HD1 LEU 33 2.667 -3.906 1.875 269 1HD2 LEU 33 3HD2 LEU 33 1.284 -7.397 2.353 270 2HD2 LEU 33 1HD2 LEU 33 1.299 -7.267 4.130 271 3HD2 LEU 33 2HD2 LEU 33 0.214 -6.249 3.191 272 H SER 34 H SER 34 6.771 -6.674 3.884 273 HA SER 34 HA SER 34 7.344 -8.503 1.773 274 1HB SER 34 1HB SER 34 9.271 -7.127 3.680 275 2HB SER 34 2HB SER 34 9.675 -7.882 2.121 276 HG SER 34 HG SER 34 8.196 -5.588 2.696 277 H GLN 35 H GLN 35 6.778 -9.378 5.040 278 HA GLN 35 HA GLN 35 8.697 -11.577 5.139 279 1HB GLN 35 1HB GLN 35 6.242 -10.756 6.704 280 2HB GLN 35 2HB GLN 35 6.879 -12.390 6.894 281 1HG GLN 35 1HG GLN 35 8.952 -11.664 7.738 282 2HG GLN 35 2HG GLN 35 8.721 -10.007 7.171 283 1HE2 GLN 35 2HE2 GLN 35 6.941 -8.883 9.989 284 2HE2 GLN 35 1HE2 GLN 35 7.457 -8.605 8.324 285 H LEU 36 H LEU 36 5.490 -11.134 3.638 286 HA LEU 36 HA LEU 36 4.939 -13.958 3.681 287 1HB LEU 36 1HB LEU 36 3.673 -11.539 2.331 288 2HB LEU 36 2HB LEU 36 3.049 -13.162 2.106 289 HG LEU 36 HG LEU 36 1.793 -11.931 3.732 290 1HD1 LEU 36 1HD1 LEU 36 1.949 -14.406 3.955 291 2HD1 LEU 36 2HD1 LEU 36 3.331 -14.226 5.059 292 3HD1 LEU 36 3HD1 LEU 36 1.750 -13.640 5.542 293 1HD2 LEU 36 2HD2 LEU 36 3.533 -10.503 4.677 294 2HD2 LEU 36 3HD2 LEU 36 2.484 -11.247 5.888 295 3HD2 LEU 36 1HD2 LEU 36 4.122 -11.873 5.648 296 HA PRO 37 HA PRO 37 6.652 -14.900 -0.407 297 1HB PRO 37 1HB PRO 37 5.425 -17.249 -0.966 298 2HB PRO 37 2HB PRO 37 6.630 -17.111 0.348 299 1HG PRO 37 1HG PRO 37 3.602 -17.029 0.600 300 2HG PRO 37 2HG PRO 37 4.767 -18.003 1.551 301 1HD PRO 37 1HD PRO 37 3.777 -15.585 2.412 302 2HD PRO 37 2HD PRO 37 5.424 -16.149 2.825 303 H ILE 38 H ILE 38 5.477 -12.857 -0.958 304 HA ILE 38 HA ILE 38 2.877 -13.206 -2.403 305 HB ILE 38 HB ILE 38 4.629 -10.874 -1.408 306 1HG1 ILE 38 1HG1 ILE 38 1.605 -11.344 -1.207 307 2HG1 ILE 38 2HG1 ILE 38 2.755 -12.002 -0.056 308 1HG2 ILE 38 3HG2 ILE 38 2.397 -10.607 -3.504 309 2HG2 ILE 38 1HG2 ILE 38 3.072 -9.258 -2.594 310 3HG2 ILE 38 2HG2 ILE 38 4.101 -10.144 -3.689 311 1HD1 ILE 38 1HD1 ILE 38 3.617 -9.654 0.363 312 2HD1 ILE 38 2HD1 ILE 38 2.173 -9.072 -0.512 313 3HD1 ILE 38 3HD1 ILE 38 2.009 -10.029 0.971 314 H LYS 39 H LYS 39 2.876 -13.052 -4.687 315 HA LYS 39 HA LYS 39 4.942 -13.941 -6.075 316 1HB LYS 39 1HB LYS 39 2.510 -12.503 -6.817 317 2HB LYS 39 2HB LYS 39 3.808 -12.404 -8.014 318 1HG LYS 39 1HG LYS 39 3.228 -15.111 -6.838 319 2HG LYS 39 2HG LYS 39 2.051 -14.451 -7.969 320 1HD LYS 39 1HD LYS 39 5.012 -14.457 -8.603 321 2HD LYS 39 2HD LYS 39 4.018 -15.894 -8.871 322 1HE LYS 39 1HE LYS 39 2.722 -14.927 -10.528 323 2HE LYS 39 2HE LYS 39 3.009 -13.276 -9.960 324 1HZ LYS 39 1HZ LYS 39 5.230 -14.835 -11.084 325 2HZ LYS 39 2HZ LYS 39 4.180 -13.998 -12.054 326 3HZ LYS 39 3HZ LYS 39 5.066 -13.205 -10.943 327 H GLN 40 H GLN 40 6.918 -13.239 -6.718 328 HA GLN 40 HA GLN 40 7.878 -10.733 -5.768 329 1HB GLN 40 1HB GLN 40 9.081 -13.012 -6.277 330 2HB GLN 40 2HB GLN 40 9.291 -12.376 -7.903 331 1HG GLN 40 1HG GLN 40 10.196 -10.990 -5.335 332 2HG GLN 40 2HG GLN 40 11.216 -12.056 -6.297 333 1HE2 GLN 40 2HE2 GLN 40 10.988 -8.171 -7.350 334 2HE2 GLN 40 1HE2 GLN 40 10.502 -8.820 -5.794 335 H GLY 41 H GLY 41 8.198 -8.783 -6.867 336 1HA GLY 41 1HA GLY 41 8.203 -7.323 -8.706 337 2HA GLY 41 2HA GLY 41 7.489 -8.567 -9.725 338 H LEU 42 H LEU 42 5.534 -8.782 -6.925 339 HA LEU 42 HA LEU 42 3.627 -6.877 -8.056 340 1HB LEU 42 1HB LEU 42 3.307 -8.751 -5.726 341 2HB LEU 42 2HB LEU 42 2.124 -7.752 -6.513 342 HG LEU 42 HG LEU 42 3.370 -10.271 -7.575 343 1HD1 LEU 42 3HD1 LEU 42 1.402 -10.289 -6.028 344 2HD1 LEU 42 1HD1 LEU 42 0.514 -9.317 -7.231 345 3HD1 LEU 42 2HD1 LEU 42 1.024 -10.958 -7.643 346 1HD2 LEU 42 1HD2 LEU 42 1.699 -8.336 -9.171 347 2HD2 LEU 42 2HD2 LEU 42 3.364 -8.848 -9.521 348 3HD2 LEU 42 3HD2 LEU 42 2.024 -10.018 -9.617 349 H LEU 43 H LEU 43 5.922 -7.051 -5.239 350 HA LEU 43 HA LEU 43 4.147 -5.239 -3.759 351 1HB LEU 43 1HB LEU 43 5.947 -7.172 -2.878 352 2HB LEU 43 2HB LEU 43 6.796 -5.680 -2.572 353 HG LEU 43 HG LEU 43 5.716 -6.034 -0.573 354 1HD1 LEU 43 1HD1 LEU 43 5.051 -3.744 -1.458 355 2HD1 LEU 43 2HD1 LEU 43 3.495 -4.419 -1.903 356 3HD1 LEU 43 3HD1 LEU 43 3.992 -4.408 -0.203 357 1HD2 LEU 43 3HD2 LEU 43 3.336 -7.056 -2.105 358 2HD2 LEU 43 1HD2 LEU 43 4.453 -7.940 -1.066 359 3HD2 LEU 43 2HD2 LEU 43 3.328 -6.780 -0.342 360 H GLU 44 H GLU 44 4.188 -3.072 -4.373 361 HA GLU 44 HA GLU 44 6.829 -1.946 -5.195 362 1HB GLU 44 1HB GLU 44 5.200 -2.328 -7.075 363 2HB GLU 44 2HB GLU 44 4.151 -1.106 -6.331 364 1HG GLU 44 1HG GLU 44 6.076 0.514 -6.416 365 2HG GLU 44 2HG GLU 44 7.054 -0.715 -7.218 366 H PHE 45 H PHE 45 7.560 -0.576 -3.726 367 HA PHE 45 HA PHE 45 5.704 0.709 -1.811 368 1HB PHE 45 1HB PHE 45 8.729 0.330 -1.797 369 2HB PHE 45 2HB PHE 45 7.807 1.047 -0.510 370 HD1 PHE 45 1HD PHE 45 5.817 -0.369 0.472 371 HD2 PHE 45 2HD PHE 45 9.134 -2.040 -1.702 372 HE1 PHE 45 1HE PHE 45 5.333 -2.610 1.448 373 HE2 PHE 45 2HE PHE 45 8.687 -4.255 -0.676 374 HZ PHE 45 HZ PHE 45 6.789 -4.538 0.896 375 H VAL 46 H VAL 46 4.883 2.555 -2.839 376 HA VAL 46 HA VAL 46 6.533 4.067 -4.720 377 HB VAL 46 HB VAL 46 3.607 4.212 -3.905 378 1HG1 VAL 46 3HG1 VAL 46 4.452 6.414 -4.765 379 2HG1 VAL 46 1HG1 VAL 46 5.037 5.599 -6.224 380 3HG1 VAL 46 2HG1 VAL 46 3.301 5.675 -5.867 381 1HG2 VAL 46 2HG2 VAL 46 4.238 2.119 -5.111 382 2HG2 VAL 46 3HG2 VAL 46 3.131 3.142 -6.024 383 3HG2 VAL 46 1HG2 VAL 46 4.859 3.101 -6.442 384 H ASP 47 H ASP 47 7.860 5.445 -3.782 385 HA ASP 47 HA ASP 47 7.480 6.738 -1.247 386 1HB ASP 47 1HB ASP 47 9.614 6.018 -2.270 387 2HB ASP 47 2HB ASP 47 9.474 7.315 -3.451 388 H ILE 48 H ILE 48 5.868 8.188 -1.056 389 HA ILE 48 HA ILE 48 4.996 9.955 -3.151 390 HB ILE 48 HB ILE 48 3.534 10.927 -1.555 391 1HG1 ILE 48 1HG1 ILE 48 4.681 9.353 0.774 392 2HG1 ILE 48 2HG1 ILE 48 5.187 10.994 0.425 393 1HG2 ILE 48 2HG2 ILE 48 3.086 8.595 -2.464 394 2HG2 ILE 48 3HG2 ILE 48 3.680 7.929 -0.941 395 3HG2 ILE 48 1HG2 ILE 48 2.233 8.947 -0.948 396 1HD1 ILE 48 2HD1 ILE 48 2.832 11.769 0.604 397 2HD1 ILE 48 3HD1 ILE 48 2.330 10.124 1.015 398 3HD1 ILE 48 1HD1 ILE 48 3.424 11.010 2.095 399 H THR 49 H THR 49 7.841 10.167 -1.271 400 HA THR 49 HA THR 49 7.873 13.113 -1.612 401 HB THR 49 HB THR 49 7.286 12.489 0.691 402 HG1 THR 49 HG1 THR 49 9.731 13.776 0.191 403 1HG2 THR 49 1HG2 THR 49 10.064 11.271 0.869 404 2HG2 THR 49 2HG2 THR 49 8.976 11.616 2.232 405 3HG2 THR 49 3HG2 THR 49 8.514 10.415 1.014 406 H ALA 50 H ALA 50 9.066 10.520 -3.012 407 HA ALA 50 HA ALA 50 11.857 10.715 -2.870 408 1HB ALA 50 2HB ALA 50 10.048 10.006 -5.203 409 2HB ALA 50 3HB ALA 50 11.818 9.801 -5.214 410 3HB ALA 50 1HB ALA 50 10.844 8.906 -4.046 411 H THR 51 H THR 51 9.694 13.094 -4.189 412 HA THR 51 HA THR 51 11.935 14.780 -4.074 413 HB THR 51 HB THR 51 11.596 13.855 -6.697 414 HG1 THR 51 HG1 THR 51 13.387 14.898 -5.369 415 1HG2 THR 51 2HG2 THR 51 9.778 15.569 -6.972 416 2HG2 THR 51 3HG2 THR 51 10.946 16.821 -6.507 417 3HG2 THR 51 1HG2 THR 51 11.206 15.854 -7.984 418 H ASN 52 H ASN 52 8.442 14.552 -4.977 419 HA ASN 52 HA ASN 52 7.726 16.387 -2.969 420 1HB ASN 52 1HB ASN 52 8.646 17.725 -5.340 421 2HB ASN 52 2HB ASN 52 6.912 17.874 -5.363 422 1HD2 ASN 52 2HD2 ASN 52 9.108 19.488 -2.206 423 2HD2 ASN 52 1HD2 ASN 52 9.720 18.157 -3.166 424 H HIS 53 H HIS 53 5.260 17.316 -4.281 425 HA HIS 53 HA HIS 53 3.186 16.727 -4.595 426 1HB HIS 53 1HB HIS 53 4.396 14.452 -6.177 427 2HB HIS 53 2HB HIS 53 2.671 14.603 -5.966 428 HD1 HIS 53 1HD HIS 53 4.099 14.894 -8.784 429 HD2 HIS 53 2HD HIS 53 2.481 17.883 -6.310 430 HE1 HIS 53 1HE HIS 53 3.635 16.902 -10.296 431 H THR 54 H THR 54 4.935 15.021 -2.361 432 HA THR 54 HA THR 54 3.228 13.117 -1.391 433 HB THR 54 HB THR 54 4.868 13.155 0.006 434 HG1 THR 54 HG1 THR 54 4.045 15.175 1.625 435 1HG2 THR 54 1HG2 THR 54 5.183 16.112 -0.185 436 2HG2 THR 54 2HG2 THR 54 6.186 15.025 0.822 437 3HG2 THR 54 3HG2 THR 54 6.188 14.829 -0.937 438 H ASN 55 H ASN 55 3.003 16.435 -0.398 439 HA ASN 55 HA ASN 55 0.490 16.447 0.802 440 1HB ASN 55 1HB ASN 55 1.731 18.648 -0.850 441 2HB ASN 55 2HB ASN 55 0.108 18.822 -0.187 442 1HD2 ASN 55 2HD2 ASN 55 2.863 19.922 2.239 443 2HD2 ASN 55 1HD2 ASN 55 3.043 19.879 0.506 444 H GLU 56 H GLU 56 0.823 17.032 -2.791 445 HA GLU 56 HA GLU 56 -1.877 17.098 -3.396 446 1HB GLU 56 1HB GLU 56 0.685 16.332 -4.865 447 2HB GLU 56 2HB GLU 56 -0.854 15.967 -5.611 448 1HG GLU 56 1HG GLU 56 -0.200 18.025 -6.486 449 2HG GLU 56 2HG GLU 56 -1.553 18.342 -5.399 450 H ILE 57 H ILE 57 0.305 14.300 -3.164 451 HA ILE 57 HA ILE 57 -1.531 12.299 -4.116 452 HB ILE 57 HB ILE 57 1.161 12.389 -2.682 453 1HG1 ILE 57 1HG1 ILE 57 0.369 11.012 -5.296 454 2HG1 ILE 57 2HG1 ILE 57 0.783 12.721 -5.223 455 1HG2 ILE 57 3HG2 ILE 57 -0.558 9.926 -3.075 456 2HG2 ILE 57 1HG2 ILE 57 1.202 9.838 -2.957 457 3HG2 ILE 57 2HG2 ILE 57 0.269 10.486 -1.608 458 1HD1 ILE 57 1HD1 ILE 57 3.002 12.110 -4.177 459 2HD1 ILE 57 2HD1 ILE 57 2.640 10.413 -4.560 460 3HD1 ILE 57 3HD1 ILE 57 2.775 11.617 -5.856 461 H GLN 58 H GLN 58 -0.585 13.522 -0.956 462 HA GLN 58 HA GLN 58 -1.831 11.605 0.737 463 1HB GLN 58 1HB GLN 58 -0.728 14.461 0.943 464 2HB GLN 58 2HB GLN 58 -1.691 13.841 2.247 465 1HG GLN 58 1HG GLN 58 0.349 11.855 1.563 466 2HG GLN 58 2HG GLN 58 1.070 13.417 1.793 467 1HE2 GLN 58 2HE2 GLN 58 -0.232 11.464 5.096 468 2HE2 GLN 58 1HE2 GLN 58 -0.785 10.848 3.553 469 H ASP 59 H ASP 59 -2.775 14.850 -0.450 470 HA ASP 59 HA ASP 59 -5.343 15.148 0.655 471 1HB ASP 59 1HB ASP 59 -3.844 16.753 -0.763 472 2HB ASP 59 2HB ASP 59 -4.562 16.051 -2.164 473 H TYR 60 H TYR 60 -4.459 14.079 -2.570 474 HA TYR 60 HA TYR 60 -7.028 13.208 -3.368 475 1HB TYR 60 1HB TYR 60 -5.304 13.571 -5.001 476 2HB TYR 60 2HB TYR 60 -4.300 12.296 -4.300 477 HD1 TYR 60 1HD TYR 60 -7.931 12.488 -5.391 478 HD2 TYR 60 2HD TYR 60 -4.144 10.431 -5.689 479 HE1 TYR 60 1HE TYR 60 -8.997 10.720 -6.758 480 HE2 TYR 60 2HE TYR 60 -5.188 8.718 -7.118 481 HH TYR 60 HH TYR 60 -7.168 7.865 -7.892 482 H LEU 61 H LEU 61 -4.509 11.294 -1.665 483 HA LEU 61 HA LEU 61 -5.931 8.811 -1.741 484 1HB LEU 61 1HB LEU 61 -3.813 9.955 0.099 485 2HB LEU 61 2HB LEU 61 -4.545 8.404 0.454 486 HG LEU 61 HG LEU 61 -3.260 8.976 -2.251 487 1HD1 LEU 61 1HD1 LEU 61 -1.922 7.828 0.243 488 2HD1 LEU 61 2HD1 LEU 61 -1.222 7.879 -1.394 489 3HD1 LEU 61 3HD1 LEU 61 -1.567 9.380 -0.522 490 1HD2 LEU 61 3HD2 LEU 61 -3.850 6.406 -0.728 491 2HD2 LEU 61 1HD2 LEU 61 -4.761 7.023 -2.117 492 3HD2 LEU 61 2HD2 LEU 61 -3.079 6.532 -2.334 493 H GLN 62 H GLN 62 -6.306 11.681 0.361 494 HA GLN 62 HA GLN 62 -7.988 10.373 2.272 495 1HB GLN 62 1HB GLN 62 -6.915 12.785 2.328 496 2HB GLN 62 2HB GLN 62 -8.375 13.268 1.477 497 1HG GLN 62 1HG GLN 62 -9.723 12.127 3.305 498 2HG GLN 62 2HG GLN 62 -8.211 11.855 4.167 499 1HE2 GLN 62 2HE2 GLN 62 -10.151 15.041 5.213 500 2HE2 GLN 62 1HE2 GLN 62 -10.768 13.529 4.590 501 H GLN 63 H GLN 63 -8.613 11.871 -0.905 502 HA GLN 63 HA GLN 63 -11.484 11.389 -0.676 503 1HB GLN 63 1HB GLN 63 -9.957 13.080 -2.250 504 2HB GLN 63 2HB GLN 63 -10.385 11.809 -3.392 505 1HG GLN 63 1HG GLN 63 -12.107 13.441 -3.541 506 2HG GLN 63 2HG GLN 63 -12.818 12.111 -2.629 507 1HE2 GLN 63 2HE2 GLN 63 -13.455 15.561 -1.021 508 2HE2 GLN 63 1HE2 GLN 63 -13.568 15.030 -2.683 509 H LEU 64 H LEU 64 -8.873 9.833 -2.543 510 HA LEU 64 HA LEU 64 -10.577 7.931 -3.803 511 1HB LEU 64 1HB LEU 64 -8.579 8.438 -4.913 512 2HB LEU 64 2HB LEU 64 -7.619 8.310 -3.449 513 HG LEU 64 HG LEU 64 -7.913 5.797 -3.500 514 1HD1 LEU 64 1HD1 LEU 64 -9.908 5.740 -5.045 515 2HD1 LEU 64 2HD1 LEU 64 -8.895 6.382 -6.344 516 3HD1 LEU 64 3HD1 LEU 64 -8.560 4.777 -5.647 517 1HD2 LEU 64 1HD2 LEU 64 -5.861 6.927 -4.257 518 2HD2 LEU 64 2HD2 LEU 64 -6.205 5.471 -5.210 519 3HD2 LEU 64 3HD2 LEU 64 -6.544 7.063 -5.888 520 H THR 65 H THR 65 -9.078 7.876 -0.593 521 HA THR 65 HA THR 65 -10.098 5.085 -0.272 522 HB THR 65 HB THR 65 -8.403 4.580 1.262 523 HG1 THR 65 HG1 THR 65 -7.390 7.228 1.029 524 1HG2 THR 65 1HG2 THR 65 -7.776 4.452 -1.129 525 2HG2 THR 65 2HG2 THR 65 -7.014 6.057 -0.999 526 3HG2 THR 65 3HG2 THR 65 -6.390 4.701 -0.045 527 H GLY 66 H GLY 66 -9.257 7.791 1.885 528 1HA GLY 66 1HA GLY 66 -11.704 8.785 2.617 529 2HA GLY 66 2HA GLY 66 -11.544 7.317 3.592 530 H ALA 67 H ALA 67 -8.477 7.673 3.568 531 HA ALA 67 HA ALA 67 -8.216 10.050 5.298 532 1HB ALA 67 2HB ALA 67 -7.430 7.212 5.940 533 2HB ALA 67 3HB ALA 67 -6.775 8.622 6.804 534 3HB ALA 67 1HB ALA 67 -8.522 8.264 6.852 535 H ARG 68 H ARG 68 -6.175 10.933 5.237 536 HA ARG 68 HA ARG 68 -4.732 10.421 2.689 537 1HB ARG 68 1HB ARG 68 -3.294 12.304 3.330 538 2HB ARG 68 2HB ARG 68 -4.977 12.748 3.289 539 1HG ARG 68 1HG ARG 68 -4.064 11.948 6.009 540 2HG ARG 68 2HG ARG 68 -3.140 13.275 5.309 541 1HD ARG 68 1HD ARG 68 -5.275 14.456 4.769 542 2HD ARG 68 2HD ARG 68 -6.178 13.157 5.558 543 HE ARG 68 HE ARG 68 -4.235 14.103 7.375 544 1HH1 ARG 68 2HH2 ARG 68 -7.147 15.388 5.722 545 2HH1 ARG 68 1HH2 ARG 68 -7.391 16.629 6.928 546 1HH2 ARG 68 2HH1 ARG 68 -4.855 15.519 9.085 547 2HH2 ARG 68 1HH1 ARG 68 -6.131 16.656 8.868 548 H THR 69 H THR 69 -4.420 9.403 6.015 549 HA THR 69 HA THR 69 -1.724 9.863 6.303 550 HB THR 69 HB THR 69 -1.907 8.291 8.246 551 HG1 THR 69 HG1 THR 69 -3.590 7.069 8.488 552 1HG2 THR 69 3HG2 THR 69 -2.537 10.696 8.416 553 2HG2 THR 69 1HG2 THR 69 -4.207 10.300 7.946 554 3HG2 THR 69 2HG2 THR 69 -3.545 9.685 9.461 555 H VAL 70 H VAL 70 0.126 8.801 5.887 556 HA VAL 70 HA VAL 70 -0.046 6.414 4.184 557 HB VAL 70 HB VAL 70 2.570 6.831 4.273 558 1HG1 VAL 70 3HG1 VAL 70 1.086 7.009 2.287 559 2HG1 VAL 70 1HG1 VAL 70 0.711 8.686 2.733 560 3HG1 VAL 70 2HG1 VAL 70 2.375 8.212 2.299 561 1HG2 VAL 70 1HG2 VAL 70 2.448 8.658 6.021 562 2HG2 VAL 70 2HG2 VAL 70 3.209 9.154 4.499 563 3HG2 VAL 70 3HG2 VAL 70 1.564 9.664 4.849 564 HA PRO 71 HA PRO 71 1.793 4.633 3.777 565 1HB PRO 71 1HB PRO 71 1.436 1.923 4.044 566 2HB PRO 71 2HB PRO 71 2.907 2.766 4.606 567 1HG PRO 71 1HG PRO 71 0.486 1.977 6.234 568 2HG PRO 71 2HG PRO 71 2.213 1.694 6.618 569 1HD PRO 71 1HD PRO 71 0.833 3.796 7.653 570 2HD PRO 71 2HD PRO 71 2.551 3.960 7.177 571 H ARG 72 H ARG 72 0.435 3.586 2.073 572 HA ARG 72 HA ARG 72 -2.362 2.900 2.865 573 1HB ARG 72 1HB ARG 72 -1.528 4.769 0.599 574 2HB ARG 72 2HB ARG 72 -3.077 3.929 0.611 575 1HG ARG 72 1HG ARG 72 -2.202 5.723 2.881 576 2HG ARG 72 2HG ARG 72 -3.046 6.350 1.478 577 1HD ARG 72 1HD ARG 72 -5.063 5.422 2.011 578 2HD ARG 72 2HD ARG 72 -4.332 3.990 2.772 579 HE ARG 72 HE ARG 72 -3.581 6.066 4.376 580 1HH1 ARG 72 2HH2 ARG 72 -6.785 4.931 3.386 581 2HH1 ARG 72 1HH2 ARG 72 -7.448 4.894 4.979 582 1HH2 ARG 72 2HH1 ARG 72 -4.441 6.281 6.412 583 2HH2 ARG 72 1HH1 ARG 72 -6.002 5.650 6.808 584 H VAL 73 H VAL 73 -2.076 0.715 2.666 585 HA VAL 73 HA VAL 73 -0.625 -0.420 0.380 586 HB VAL 73 HB VAL 73 -2.244 -1.602 2.679 587 1HG1 VAL 73 2HG1 VAL 73 -0.847 -3.057 0.379 588 2HG1 VAL 73 3HG1 VAL 73 -1.494 -3.835 1.847 589 3HG1 VAL 73 1HG1 VAL 73 -2.586 -3.066 0.709 590 1HG2 VAL 73 3HG2 VAL 73 0.709 -1.618 1.947 591 2HG2 VAL 73 1HG2 VAL 73 -0.041 -0.833 3.364 592 3HG2 VAL 73 2HG2 VAL 73 0.037 -2.594 3.193 593 H PHE 74 H PHE 74 -1.559 -0.802 -1.547 594 HA PHE 74 HA PHE 74 -4.488 -1.133 -1.736 595 1HB PHE 74 1HB PHE 74 -2.572 0.110 -3.720 596 2HB PHE 74 2HB PHE 74 -4.091 -0.619 -4.185 597 HD1 PHE 74 1HD PHE 74 -3.064 1.854 -1.493 598 HD2 PHE 74 2HD PHE 74 -5.742 0.898 -4.741 599 HE1 PHE 74 1HE PHE 74 -4.130 4.083 -1.296 600 HE2 PHE 74 2HE PHE 74 -6.797 3.116 -4.511 601 HZ PHE 74 HZ PHE 74 -5.957 4.725 -2.823 602 H ILE 75 H ILE 75 -4.701 -3.304 -1.711 603 HA ILE 75 HA ILE 75 -2.774 -5.015 -3.213 604 HB ILE 75 HB ILE 75 -4.565 -5.468 -0.897 605 1HG1 ILE 75 1HG1 ILE 75 -3.022 -7.473 -0.620 606 2HG1 ILE 75 2HG1 ILE 75 -2.108 -6.833 -2.000 607 1HG2 ILE 75 2HG2 ILE 75 -5.783 -6.835 -2.681 608 2HG2 ILE 75 3HG2 ILE 75 -4.256 -7.673 -2.991 609 3HG2 ILE 75 1HG2 ILE 75 -5.048 -7.819 -1.418 610 1HD1 ILE 75 2HD1 ILE 75 -1.697 -4.812 -0.689 611 2HD1 ILE 75 3HD1 ILE 75 -2.602 -5.531 0.674 612 3HD1 ILE 75 1HD1 ILE 75 -1.087 -6.277 0.118 613 H GLY 76 H GLY 76 -3.247 -5.010 -5.333 614 1HA GLY 76 1HA GLY 76 -4.387 -4.997 -7.302 615 2HA GLY 76 2HA GLY 76 -5.561 -6.023 -6.478 616 H LYS 77 H LYS 77 -4.668 -2.608 -6.909 617 HA LYS 77 HA LYS 77 -5.748 -0.701 -6.816 618 1HB LYS 77 1HB LYS 77 -6.550 -2.182 -8.979 619 2HB LYS 77 2HB LYS 77 -8.103 -1.824 -8.226 620 1HG LYS 77 1HG LYS 77 -7.043 0.625 -8.031 621 2HG LYS 77 2HG LYS 77 -5.968 0.040 -9.310 622 1HD LYS 77 1HD LYS 77 -7.874 -0.396 -10.776 623 2HD LYS 77 2HD LYS 77 -9.009 -0.143 -9.432 624 1HE LYS 77 1HE LYS 77 -8.285 2.212 -9.238 625 2HE LYS 77 2HE LYS 77 -7.261 2.003 -10.678 626 1HZ LYS 77 2HZ LYS 77 -10.198 1.582 -10.607 627 2HZ LYS 77 3HZ LYS 77 -9.457 2.941 -11.181 628 3HZ LYS 77 1HZ LYS 77 -9.246 1.493 -11.933 629 H ASP 78 H ASP 78 -6.684 -2.579 -4.450 630 HA ASP 78 HA ASP 78 -8.651 -0.466 -3.692 631 1HB ASP 78 1HB ASP 78 -9.942 -2.516 -4.091 632 2HB ASP 78 2HB ASP 78 -8.912 -3.369 -2.933 633 H CYS 79 H CYS 79 -8.221 0.522 -1.851 634 HA CYS 79 HA CYS 79 -5.762 -0.050 -0.513 635 1HB CYS 79 1HB CYS 79 -6.672 2.247 -0.928 636 2HB CYS 79 2HB CYS 79 -7.892 1.940 0.327 637 HG CYS 79 HG CYS 79 -4.731 1.216 0.855 638 H ILE 80 H ILE 80 -5.540 -1.636 1.163 639 HA ILE 80 HA ILE 80 -8.002 -2.653 2.343 640 HB ILE 80 HB ILE 80 -6.748 -4.449 3.024 641 1HG1 ILE 80 1HG1 ILE 80 -4.241 -4.667 2.529 642 2HG1 ILE 80 2HG1 ILE 80 -4.198 -2.901 2.501 643 1HG2 ILE 80 2HG2 ILE 80 -7.239 -4.253 0.575 644 2HG2 ILE 80 3HG2 ILE 80 -5.555 -3.762 0.327 645 3HG2 ILE 80 1HG2 ILE 80 -5.932 -5.369 0.995 646 1HD1 ILE 80 3HD1 ILE 80 -5.411 -4.368 4.867 647 2HD1 ILE 80 1HD1 ILE 80 -3.662 -4.252 4.701 648 3HD1 ILE 80 2HD1 ILE 80 -4.634 -2.772 4.815 649 H GLY 81 H GLY 81 -5.893 -0.109 3.046 650 1HA GLY 81 1HA GLY 81 -6.795 1.138 5.077 651 2HA GLY 81 2HA GLY 81 -6.271 -0.302 5.973 652 H GLY 82 H GLY 82 -5.038 1.697 6.899 653 1HA GLY 82 1HA GLY 82 -2.604 2.345 5.429 654 2HA GLY 82 2HA GLY 82 -3.107 3.009 6.992 655 H CYS 83 H CYS 83 -2.675 1.734 8.927 656 HA CYS 83 HA CYS 83 -0.849 -0.552 8.516 657 1HB CYS 83 1HB CYS 83 0.343 1.768 8.962 658 2HB CYS 83 2HB CYS 83 -0.056 1.384 10.652 659 HG CYS 83 HG CYS 83 0.820 -1.173 10.386 660 H SER 84 H SER 84 -2.566 1.330 11.118 661 HA SER 84 HA SER 84 -2.525 -0.837 12.969 662 1HB SER 84 1HB SER 84 -4.426 1.530 12.723 663 2HB SER 84 2HB SER 84 -4.171 0.550 14.178 664 HG SER 84 HG SER 84 -2.967 2.636 13.899 665 H ASP 85 H ASP 85 -4.751 0.049 10.386 666 HA ASP 85 HA ASP 85 -6.817 -1.936 10.784 667 1HB ASP 85 1HB ASP 85 -5.773 -0.373 8.377 668 2HB ASP 85 2HB ASP 85 -7.024 -1.594 8.209 669 H LEU 86 H LEU 86 -4.143 -1.733 8.507 670 HA LEU 86 HA LEU 86 -4.174 -4.211 7.332 671 1HB LEU 86 1HB LEU 86 -2.944 -2.479 6.388 672 2HB LEU 86 2HB LEU 86 -2.104 -2.101 7.851 673 HG LEU 86 HG LEU 86 -1.467 -4.810 6.749 674 1HD1 LEU 86 2HD1 LEU 86 -0.544 -2.247 5.427 675 2HD1 LEU 86 3HD1 LEU 86 0.058 -3.893 5.087 676 3HD1 LEU 86 1HD1 LEU 86 -1.610 -3.460 4.691 677 1HD2 LEU 86 2HD2 LEU 86 0.178 -2.456 7.813 678 2HD2 LEU 86 3HD2 LEU 86 -0.236 -3.936 8.707 679 3HD2 LEU 86 1HD2 LEU 86 0.847 -4.002 7.307 680 H VAL 87 H VAL 87 -2.535 -3.444 10.519 681 HA VAL 87 HA VAL 87 -1.136 -5.839 10.717 682 HB VAL 87 HB VAL 87 -2.270 -3.761 12.609 683 1HG1 VAL 87 1HG1 VAL 87 -0.581 -6.175 13.345 684 2HG1 VAL 87 2HG1 VAL 87 -0.880 -4.746 14.388 685 3HG1 VAL 87 3HG1 VAL 87 -2.225 -5.802 13.914 686 1HG2 VAL 87 3HG2 VAL 87 -0.197 -3.330 11.082 687 2HG2 VAL 87 1HG2 VAL 87 0.004 -3.030 12.817 688 3HG2 VAL 87 2HG2 VAL 87 0.632 -4.519 12.087 689 H SER 88 H SER 88 -4.659 -5.168 11.330 690 HA SER 88 HA SER 88 -5.083 -7.667 12.770 691 1HB SER 88 1HB SER 88 -6.842 -5.630 11.396 692 2HB SER 88 2HB SER 88 -7.394 -7.281 11.267 693 HG SER 88 HG SER 88 -7.118 -7.589 13.462 694 H LEU 89 H LEU 89 -5.414 -6.533 9.417 695 HA LEU 89 HA LEU 89 -6.431 -8.957 8.378 696 1HB LEU 89 1HB LEU 89 -4.989 -6.617 7.042 697 2HB LEU 89 2HB LEU 89 -5.572 -8.013 6.177 698 HG LEU 89 HG LEU 89 -7.876 -7.461 7.414 699 1HD1 LEU 89 2HD1 LEU 89 -6.550 -4.734 7.078 700 2HD1 LEU 89 3HD1 LEU 89 -8.276 -5.021 7.363 701 3HD1 LEU 89 1HD1 LEU 89 -7.110 -5.473 8.602 702 1HD2 LEU 89 1HD2 LEU 89 -7.523 -7.762 4.992 703 2HD2 LEU 89 2HD2 LEU 89 -8.579 -6.401 5.345 704 3HD2 LEU 89 3HD2 LEU 89 -6.895 -6.102 4.876 705 H GLN 90 H GLN 90 -3.067 -7.818 8.899 706 HA GLN 90 HA GLN 90 -1.806 -10.138 7.773 707 1HB GLN 90 1HB GLN 90 -0.592 -8.023 8.322 708 2HB GLN 90 2HB GLN 90 -0.904 -8.312 10.028 709 1HG GLN 90 1HG GLN 90 0.323 -10.651 9.532 710 2HG GLN 90 2HG GLN 90 0.957 -9.771 8.145 711 1HE2 GLN 90 2HE2 GLN 90 3.538 -9.271 10.660 712 2HE2 GLN 90 1HE2 GLN 90 3.041 -10.371 9.391 713 H GLN 91 H GLN 91 -2.460 -9.330 11.330 714 HA GLN 91 HA GLN 91 -1.519 -11.602 12.371 715 1HB GLN 91 1HB GLN 91 -2.807 -9.268 13.218 716 2HB GLN 91 2HB GLN 91 -3.913 -10.487 13.765 717 1HG GLN 91 1HG GLN 91 -0.926 -10.699 14.311 718 2HG GLN 91 2HG GLN 91 -1.952 -9.577 15.176 719 1HE2 GLN 91 2HE2 GLN 91 -2.833 -13.639 15.706 720 2HE2 GLN 91 1HE2 GLN 91 -2.426 -13.101 14.122 721 H SER 92 H SER 92 -4.939 -10.990 11.524 722 HA SER 92 HA SER 92 -5.825 -13.649 12.237 723 1HB SER 92 1HB SER 92 -7.189 -11.559 12.365 724 2HB SER 92 2HB SER 92 -7.136 -11.434 10.601 725 HG SER 92 HG SER 92 -9.013 -12.365 11.274 726 H GLY 93 H GLY 93 -4.780 -11.990 9.224 727 1HA GLY 93 1HA GLY 93 -3.827 -13.225 7.442 728 2HA GLY 93 2HA GLY 93 -4.883 -14.596 7.785 729 H GLU 94 H GLU 94 -6.657 -11.502 7.941 730 HA GLU 94 HA GLU 94 -8.174 -12.360 5.664 731 1HB GLU 94 1HB GLU 94 -9.004 -11.050 7.600 732 2HB GLU 94 2HB GLU 94 -8.068 -9.659 7.041 733 1HG GLU 94 1HG GLU 94 -9.389 -9.609 4.940 734 2HG GLU 94 2HG GLU 94 -10.293 -11.035 5.473 735 H LEU 95 H LEU 95 -5.319 -10.420 6.094 736 HA LEU 95 HA LEU 95 -5.276 -9.029 3.551 737 1HB LEU 95 1HB LEU 95 -3.675 -8.994 5.855 738 2HB LEU 95 2HB LEU 95 -2.624 -9.768 4.737 739 HG LEU 95 HG LEU 95 -4.055 -7.124 4.295 740 1HD1 LEU 95 3HD1 LEU 95 -2.457 -6.992 6.161 741 2HD1 LEU 95 1HD1 LEU 95 -1.178 -7.692 5.149 742 3HD1 LEU 95 2HD1 LEU 95 -1.847 -6.090 4.768 743 1HD2 LEU 95 2HD2 LEU 95 -1.790 -8.420 2.738 744 2HD2 LEU 95 3HD2 LEU 95 -3.439 -8.089 2.145 745 3HD2 LEU 95 1HD2 LEU 95 -2.344 -6.753 2.523 746 H LEU 96 H LEU 96 -4.196 -12.174 4.754 747 HA LEU 96 HA LEU 96 -2.542 -12.853 2.461 748 1HB LEU 96 1HB LEU 96 -3.840 -14.666 4.522 749 2HB LEU 96 2HB LEU 96 -2.717 -15.166 3.298 750 HG LEU 96 HG LEU 96 -2.233 -14.081 5.949 751 1HD1 LEU 96 1HD1 LEU 96 -1.374 -16.198 4.962 752 2HD1 LEU 96 2HD1 LEU 96 -0.344 -15.254 3.867 753 3HD1 LEU 96 3HD1 LEU 96 -0.089 -15.186 5.633 754 1HD2 LEU 96 2HD2 LEU 96 -0.560 -12.741 3.787 755 2HD2 LEU 96 3HD2 LEU 96 -1.669 -11.922 4.917 756 3HD2 LEU 96 1HD2 LEU 96 -0.257 -12.723 5.541 757 H THR 97 H THR 97 -5.922 -13.510 3.459 758 HA THR 97 HA THR 97 -6.708 -14.988 1.148 759 HB THR 97 HB THR 97 -8.284 -13.073 2.928 760 HG1 THR 97 HG1 THR 97 -7.126 -15.448 3.470 761 1HG2 THR 97 2HG2 THR 97 -9.209 -15.342 1.124 762 2HG2 THR 97 3HG2 THR 97 -10.222 -14.536 2.346 763 3HG2 THR 97 1HG2 THR 97 -9.582 -13.628 0.975 764 H ARG 98 H ARG 98 -7.033 -11.429 1.859 765 HA ARG 98 HA ARG 98 -8.038 -10.886 -0.718 766 1HB ARG 98 1HB ARG 98 -7.964 -9.539 1.613 767 2HB ARG 98 2HB ARG 98 -6.669 -8.683 0.799 768 1HG ARG 98 1HG ARG 98 -9.247 -9.168 -0.736 769 2HG ARG 98 2HG ARG 98 -9.320 -8.052 0.618 770 1HD ARG 98 1HD ARG 98 -7.612 -6.654 -0.308 771 2HD ARG 98 2HD ARG 98 -7.208 -7.835 -1.536 772 HE ARG 98 HE ARG 98 -9.024 -7.200 -2.827 773 1HH1 ARG 98 2HH2 ARG 98 -9.250 -5.488 0.335 774 2HH1 ARG 98 1HH2 ARG 98 -10.295 -4.272 -0.381 775 1HH2 ARG 98 2HH1 ARG 98 -10.666 -5.683 -3.515 776 2HH2 ARG 98 1HH1 ARG 98 -11.134 -4.452 -2.371 777 H LEU 99 H LEU 99 -4.666 -10.870 0.395 778 HA LEU 99 HA LEU 99 -3.435 -9.967 -2.009 779 1HB LEU 99 1HB LEU 99 -2.688 -11.903 0.238 780 2HB LEU 99 2HB LEU 99 -1.643 -11.788 -1.151 781 HG LEU 99 HG LEU 99 -2.378 -9.334 0.452 782 1HD1 LEU 99 3HD1 LEU 99 -0.026 -11.233 0.838 783 2HD1 LEU 99 1HD1 LEU 99 -0.182 -9.631 1.591 784 3HD1 LEU 99 2HD1 LEU 99 -1.331 -10.908 1.997 785 1HD2 LEU 99 3HD2 LEU 99 -1.452 -8.993 -1.839 786 2HD2 LEU 99 1HD2 LEU 99 -0.322 -8.448 -0.585 787 3HD2 LEU 99 2HD2 LEU 99 -0.064 -9.986 -1.427 788 H LYS 100 H LYS 100 -4.390 -13.330 -1.003 789 HA LYS 100 HA LYS 100 -3.457 -14.292 -3.541 790 1HB LYS 100 1HB LYS 100 -4.524 -15.477 -1.161 791 2HB LYS 100 2HB LYS 100 -5.543 -16.023 -2.494 792 1HG LYS 100 1HG LYS 100 -3.411 -16.482 -3.819 793 2HG LYS 100 2HG LYS 100 -2.493 -16.074 -2.400 794 1HD LYS 100 1HD LYS 100 -3.113 -18.012 -1.233 795 2HD LYS 100 2HD LYS 100 -4.663 -18.176 -2.063 796 1HE LYS 100 1HE LYS 100 -2.005 -18.617 -3.473 797 2HE LYS 100 2HE LYS 100 -2.865 -19.910 -2.630 798 1HZ LYS 100 1HZ LYS 100 -4.091 -18.339 -4.829 799 2HZ LYS 100 2HZ LYS 100 -3.356 -19.810 -4.988 800 3HZ LYS 100 3HZ LYS 100 -4.700 -19.677 -4.087 801 H GLN 101 H GLN 101 -6.520 -12.882 -2.586 802 HA GLN 101 HA GLN 101 -7.966 -13.629 -4.849 803 1HB GLN 101 1HB GLN 101 -8.661 -12.141 -2.782 804 2HB GLN 101 2HB GLN 101 -8.160 -10.788 -3.805 805 1HG GLN 101 1HG GLN 101 -10.537 -11.118 -4.045 806 2HG GLN 101 2HG GLN 101 -9.776 -11.584 -5.568 807 1HE2 GLN 101 2HE2 GLN 101 -10.725 -15.030 -5.218 808 2HE2 GLN 101 1HE2 GLN 101 -9.942 -13.834 -6.247 809 H ILE 102 H ILE 102 -5.256 -11.269 -4.674 810 HA ILE 102 HA ILE 102 -5.719 -10.535 -7.495 811 HB ILE 102 HB ILE 102 -4.303 -8.762 -7.207 812 1HG1 ILE 102 1HG1 ILE 102 -3.228 -8.996 -4.491 813 2HG1 ILE 102 2HG1 ILE 102 -2.805 -10.390 -5.419 814 1HG2 ILE 102 3HG2 ILE 102 -6.397 -8.498 -5.906 815 2HG2 ILE 102 1HG2 ILE 102 -5.569 -9.107 -4.453 816 3HG2 ILE 102 2HG2 ILE 102 -5.034 -7.604 -5.186 817 1HD1 ILE 102 3HD1 ILE 102 -1.903 -8.955 -7.224 818 2HD1 ILE 102 1HD1 ILE 102 -2.294 -7.522 -6.235 819 3HD1 ILE 102 2HD1 ILE 102 -1.099 -8.718 -5.674 820 H GLY 103 H GLY 103 -4.531 -13.274 -6.323 821 1HA GLY 103 1HA GLY 103 -3.153 -14.845 -7.268 822 2HA GLY 103 2HA GLY 103 -2.815 -13.721 -8.592 823 H ALA 104 H ALA 104 -2.189 -13.001 -5.151 824 HA ALA 104 HA ALA 104 0.643 -12.365 -5.678 825 1HB ALA 104 1HB ALA 104 -1.177 -12.556 -3.187 826 2HB ALA 104 2HB ALA 104 0.463 -11.913 -3.167 827 3HB ALA 104 3HB ALA 104 -0.831 -11.063 -4.074 828 H LEU 105 H LEU 105 -0.903 -14.610 -3.137 829 HA LEU 105 HA LEU 105 1.708 -15.566 -2.772 830 1HB LEU 105 1HB LEU 105 -0.651 -17.081 -1.773 831 2HB LEU 105 2HB LEU 105 0.901 -16.802 -1.091 832 HG LEU 105 HG LEU 105 -1.188 -14.618 -1.182 833 1HD1 LEU 105 1HD1 LEU 105 -1.875 -16.442 0.317 834 2HD1 LEU 105 2HD1 LEU 105 -0.306 -16.371 1.146 835 3HD1 LEU 105 3HD1 LEU 105 -1.427 -14.991 1.226 836 1HD2 LEU 105 1HD2 LEU 105 1.517 -14.793 0.218 837 2HD2 LEU 105 2HD2 LEU 105 1.097 -13.737 -1.139 838 3HD2 LEU 105 3HD2 LEU 105 0.325 -13.492 0.437 839 H GLN 106 H GLN 106 2.638 -17.342 -3.412 840 HA GLN 106 HA GLN 106 1.367 -19.207 -5.303 841 1HB GLN 106 2HB GLN 106 2.287 -17.382 -6.688 842 2HB GLN 106 3HB GLN 106 3.851 -17.512 -5.871 843 1HG GLN 106 2HG GLN 106 4.173 -19.786 -6.733 844 2HG GLN 106 3HG GLN 106 2.531 -19.800 -7.376 845 1HE2 GLN 106 2HE2 GLN 106 3.349 -18.061 -10.380 846 2HE2 GLN 106 1HE2 GLN 106 2.059 -18.656 -9.333 No H/Q in entry = 846 Start of MODEL 3 1 1H ALA 2 2H ALA 2 -1.343 15.997 -8.760 2 2H ALA 2 3H ALA 2 0.231 16.303 -8.418 3 3H ALA 2 1H ALA 2 -0.203 15.759 -9.904 4 HA ALA 2 HA ALA 2 0.757 13.965 -8.747 5 1HB ALA 2 1HB ALA 2 -1.259 14.592 -6.559 6 2HB ALA 2 2HB ALA 2 -0.277 13.115 -6.655 7 3HB ALA 2 3HB ALA 2 0.518 14.685 -6.468 8 H GLN 3 H GLN 3 -2.665 13.702 -7.738 9 HA GLN 3 HA GLN 3 -4.048 11.979 -8.113 10 1HB GLN 3 1HB GLN 3 -5.196 12.234 -10.390 11 2HB GLN 3 2HB GLN 3 -5.251 13.544 -9.223 12 1HG GLN 3 1HG GLN 3 -3.464 14.757 -10.413 13 2HG GLN 3 2HG GLN 3 -3.324 13.445 -11.586 14 1HE2 GLN 3 2HE2 GLN 3 -5.336 15.654 -13.532 15 2HE2 GLN 3 1HE2 GLN 3 -3.750 14.939 -13.272 16 H GLU 4 H GLU 4 -3.033 11.783 -11.444 17 HA GLU 4 HA GLU 4 -3.030 9.207 -12.039 18 1HB GLU 4 1HB GLU 4 -2.237 11.531 -13.224 19 2HB GLU 4 2HB GLU 4 -0.666 10.808 -12.933 20 1HG GLU 4 1HG GLU 4 -1.113 10.014 -15.018 21 2HG GLU 4 2HG GLU 4 -1.748 8.667 -14.074 22 H PHE 5 H PHE 5 -0.270 10.829 -10.428 23 HA PHE 5 HA PHE 5 1.617 8.764 -10.431 24 1HB PHE 5 1HB PHE 5 2.064 11.063 -9.688 25 2HB PHE 5 2HB PHE 5 1.050 10.840 -8.271 26 HD1 PHE 5 1HD PHE 5 1.797 9.241 -6.423 27 HD2 PHE 5 2HD PHE 5 4.376 10.376 -9.691 28 HE1 PHE 5 1HE PHE 5 3.775 8.543 -5.113 29 HE2 PHE 5 2HE PHE 5 6.344 9.664 -8.374 30 HZ PHE 5 HZ PHE 5 6.056 8.749 -6.077 31 H VAL 6 H VAL 6 -1.123 9.217 -8.171 32 HA VAL 6 HA VAL 6 -0.535 6.672 -6.808 33 HB VAL 6 HB VAL 6 -2.621 8.865 -6.533 34 1HG1 VAL 6 2HG1 VAL 6 -2.691 6.217 -5.065 35 2HG1 VAL 6 3HG1 VAL 6 -3.661 7.639 -4.673 36 3HG1 VAL 6 1HG1 VAL 6 -3.894 6.798 -6.211 37 1HG2 VAL 6 1HG2 VAL 6 -0.432 9.226 -5.439 38 2HG2 VAL 6 2HG2 VAL 6 -1.736 9.030 -4.255 39 3HG2 VAL 6 3HG2 VAL 6 -0.613 7.692 -4.566 40 H ASN 7 H ASN 7 -2.982 8.217 -8.843 41 HA ASN 7 HA ASN 7 -4.805 6.190 -8.709 42 1HB ASN 7 1HB ASN 7 -4.878 8.718 -9.604 43 2HB ASN 7 2HB ASN 7 -4.776 7.928 -11.183 44 1HD2 ASN 7 2HD2 ASN 7 -8.322 7.773 -10.873 45 2HD2 ASN 7 1HD2 ASN 7 -6.970 8.129 -11.938 46 H CYS 8 H CYS 8 -2.179 6.383 -11.020 47 HA CYS 8 HA CYS 8 -3.367 4.191 -12.630 48 1HB CYS 8 1HB CYS 8 -2.665 6.549 -13.559 49 2HB CYS 8 2HB CYS 8 -1.023 5.871 -13.505 50 HG CYS 8 HG CYS 8 -1.916 5.633 -15.926 51 H LYS 9 H LYS 9 -0.809 4.743 -10.323 52 HA LYS 9 HA LYS 9 0.987 2.693 -11.340 53 1HB LYS 9 1HB LYS 9 0.561 3.906 -8.574 54 2HB LYS 9 2HB LYS 9 1.756 2.649 -8.872 55 1HG LYS 9 1HG LYS 9 1.728 5.256 -10.448 56 2HG LYS 9 2HG LYS 9 2.553 5.091 -8.895 57 1HD LYS 9 1HD LYS 9 3.216 3.297 -11.256 58 2HD LYS 9 2HD LYS 9 4.001 4.855 -10.929 59 1HE LYS 9 1HE LYS 9 4.574 4.068 -8.621 60 2HE LYS 9 2HE LYS 9 3.909 2.480 -9.021 61 1HZ LYS 9 1HZ LYS 9 5.588 2.273 -10.728 62 2HZ LYS 9 2HZ LYS 9 6.253 3.752 -10.299 63 3HZ LYS 9 3HZ LYS 9 6.217 2.471 -9.255 64 H ILE 10 H ILE 10 -1.885 2.661 -9.216 65 HA ILE 10 HA ILE 10 -1.556 -0.085 -8.411 66 HB ILE 10 HB ILE 10 -4.136 1.500 -8.610 67 1HG1 ILE 10 1HG1 ILE 10 -2.779 1.586 -5.945 68 2HG1 ILE 10 2HG1 ILE 10 -2.049 2.614 -7.162 69 1HG2 ILE 10 2HG2 ILE 10 -3.222 -0.738 -6.758 70 2HG2 ILE 10 3HG2 ILE 10 -4.731 0.182 -6.574 71 3HG2 ILE 10 1HG2 ILE 10 -4.486 -0.807 -8.015 72 1HD1 ILE 10 3HD1 ILE 10 -5.011 2.610 -6.499 73 2HD1 ILE 10 1HD1 ILE 10 -3.817 3.823 -5.972 74 3HD1 ILE 10 2HD1 ILE 10 -4.208 3.644 -7.695 75 H GLN 11 H GLN 11 -2.546 -1.961 -9.369 76 HA GLN 11 HA GLN 11 -4.655 -1.589 -11.279 77 1HB GLN 11 1HB GLN 11 -3.702 -2.714 -13.157 78 2HB GLN 11 2HB GLN 11 -2.585 -1.491 -12.667 79 1HG GLN 11 1HG GLN 11 -1.046 -3.088 -12.928 80 2HG GLN 11 2HG GLN 11 -1.445 -3.490 -11.272 81 1HE2 GLN 11 2HE2 GLN 11 -3.579 -6.128 -13.486 82 2HE2 GLN 11 1HE2 GLN 11 -4.129 -4.538 -13.080 83 HA PRO 12 HA PRO 12 -5.942 -5.170 -9.022 84 1HB PRO 12 1HB PRO 12 -7.715 -6.452 -10.628 85 2HB PRO 12 2HB PRO 12 -7.988 -4.813 -9.979 86 1HG PRO 12 1HG PRO 12 -6.859 -5.549 -12.706 87 2HG PRO 12 2HG PRO 12 -8.214 -4.434 -12.334 88 1HD PRO 12 1HD PRO 12 -5.710 -3.501 -12.734 89 2HD PRO 12 2HD PRO 12 -6.757 -2.791 -11.473 90 H GLY 13 H GLY 13 -3.587 -5.758 -9.291 91 1HA GLY 13 1HA GLY 13 -3.138 -8.426 -9.048 92 2HA GLY 13 2HA GLY 13 -2.938 -8.148 -10.761 93 H LYS 14 H LYS 14 -2.205 -6.005 -7.969 94 HA LYS 14 HA LYS 14 0.636 -6.433 -7.972 95 1HB LYS 14 1HB LYS 14 -0.652 -3.958 -9.128 96 2HB LYS 14 2HB LYS 14 0.519 -3.697 -7.858 97 1HG LYS 14 1HG LYS 14 2.195 -5.081 -9.143 98 2HG LYS 14 2HG LYS 14 1.041 -5.064 -10.497 99 1HD LYS 14 1HD LYS 14 1.020 -2.521 -10.311 100 2HD LYS 14 2HD LYS 14 2.326 -2.637 -9.122 101 1HE LYS 14 1HE LYS 14 2.439 -3.736 -11.953 102 2HE LYS 14 2HE LYS 14 3.032 -2.140 -11.479 103 1HZ LYS 14 2HZ LYS 14 4.094 -4.558 -10.169 104 2HZ LYS 14 3HZ LYS 14 4.679 -4.025 -11.596 105 3HZ LYS 14 1HZ LYS 14 4.726 -3.032 -10.267 106 H VAL 15 H VAL 15 1.465 -5.409 -5.881 107 HA VAL 15 HA VAL 15 -0.713 -4.392 -4.145 108 HB VAL 15 HB VAL 15 1.886 -5.667 -3.286 109 1HG1 VAL 15 3HG1 VAL 15 -0.681 -4.847 -1.910 110 2HG1 VAL 15 1HG1 VAL 15 0.597 -5.794 -1.093 111 3HG1 VAL 15 2HG1 VAL 15 0.901 -4.137 -1.643 112 1HG2 VAL 15 1HG2 VAL 15 -0.833 -6.986 -3.523 113 2HG2 VAL 15 2HG2 VAL 15 0.664 -7.457 -4.349 114 3HG2 VAL 15 3HG2 VAL 15 0.556 -7.638 -2.612 115 H VAL 16 H VAL 16 -0.533 -2.223 -4.888 116 HA VAL 16 HA VAL 16 2.176 -0.979 -4.766 117 HB VAL 16 HB VAL 16 -0.477 -0.029 -5.912 118 1HG1 VAL 16 1HG1 VAL 16 2.176 1.451 -5.752 119 2HG1 VAL 16 2HG1 VAL 16 0.755 1.975 -6.683 120 3HG1 VAL 16 3HG1 VAL 16 0.678 1.923 -4.919 121 1HG2 VAL 16 1HG2 VAL 16 2.251 -0.814 -7.070 122 2HG2 VAL 16 2HG2 VAL 16 0.702 -1.629 -7.319 123 3HG2 VAL 16 3HG2 VAL 16 0.977 -0.035 -8.016 124 H VAL 17 H VAL 17 2.731 0.266 -3.050 125 HA VAL 17 HA VAL 17 0.688 0.865 -0.996 126 HB VAL 17 HB VAL 17 3.509 -0.186 -0.610 127 1HG1 VAL 17 1HG1 VAL 17 1.257 0.340 1.381 128 2HG1 VAL 17 2HG1 VAL 17 2.811 -0.439 1.771 129 3HG1 VAL 17 3HG1 VAL 17 2.752 1.249 1.254 130 1HG2 VAL 17 1HG2 VAL 17 0.842 -1.628 -0.378 131 2HG2 VAL 17 2HG2 VAL 17 2.179 -1.984 -1.496 132 3HG2 VAL 17 3HG2 VAL 17 2.404 -2.242 0.222 133 H PHE 18 H PHE 18 0.658 3.051 -0.630 134 HA PHE 18 HA PHE 18 2.936 4.662 -1.668 135 1HB PHE 18 1HB PHE 18 0.253 5.592 -0.573 136 2HB PHE 18 2HB PHE 18 1.470 6.624 -1.291 137 HD1 PHE 18 2HD PHE 18 2.255 6.034 -3.730 138 HD2 PHE 18 1HD PHE 18 -1.405 4.616 -1.941 139 HE1 PHE 18 2HE PHE 18 1.392 5.410 -5.980 140 HE2 PHE 18 1HE PHE 18 -2.242 3.975 -4.188 141 HZ PHE 18 HZ PHE 18 -0.871 4.386 -6.193 142 H ILE 19 H ILE 19 4.429 5.510 -0.284 143 HA ILE 19 HA ILE 19 4.023 5.312 2.662 144 HB ILE 19 HB ILE 19 6.282 4.293 2.815 145 1HG1 ILE 19 1HG1 ILE 19 6.642 3.204 0.167 146 2HG1 ILE 19 2HG1 ILE 19 6.487 4.923 -0.007 147 1HG2 ILE 19 1HG2 ILE 19 4.311 2.844 2.834 148 2HG2 ILE 19 2HG2 ILE 19 4.473 2.618 1.073 149 3HG2 ILE 19 3HG2 ILE 19 5.745 2.053 2.161 150 1HD1 ILE 19 1HD1 ILE 19 8.283 5.298 1.658 151 2HD1 ILE 19 2HD1 ILE 19 8.476 3.533 1.815 152 3HD1 ILE 19 3HD1 ILE 19 8.809 4.338 0.265 153 H LYS 20 H LYS 20 5.896 6.324 3.824 154 HA LYS 20 HA LYS 20 7.465 8.237 2.243 155 1HB LYS 20 1HB LYS 20 7.504 9.621 4.449 156 2HB LYS 20 2HB LYS 20 6.166 9.850 3.311 157 1HG LYS 20 1HG LYS 20 4.636 8.653 4.666 158 2HG LYS 20 2HG LYS 20 5.910 7.929 5.619 159 1HD LYS 20 1HD LYS 20 4.815 9.611 6.959 160 2HD LYS 20 2HD LYS 20 6.454 10.166 6.591 161 1HE LYS 20 1HE LYS 20 5.485 11.536 4.691 162 2HE LYS 20 2HE LYS 20 3.864 11.042 5.222 163 1HZ LYS 20 2HZ LYS 20 4.319 12.150 7.343 164 2HZ LYS 20 3HZ LYS 20 5.806 12.611 6.803 165 3HZ LYS 20 1HZ LYS 20 4.427 13.165 6.077 166 HA PRO 21 HA PRO 21 10.527 5.873 4.502 167 1HB PRO 21 1HB PRO 21 12.791 7.220 3.946 168 2HB PRO 21 2HB PRO 21 11.829 6.481 2.633 169 1HG PRO 21 1HG PRO 21 11.776 9.376 3.555 170 2HG PRO 21 2HG PRO 21 11.936 8.756 1.882 171 1HD PRO 21 1HD PRO 21 9.538 9.536 3.017 172 2HD PRO 21 2HD PRO 21 9.646 8.261 1.778 173 H THR 22 H THR 22 9.838 9.260 5.232 174 HA THR 22 HA THR 22 11.254 9.472 7.717 175 HB THR 22 HB THR 22 9.767 11.561 7.782 176 HG1 THR 22 HG1 THR 22 8.558 12.019 6.045 177 1HG2 THR 22 1HG2 THR 22 11.500 11.129 5.301 178 2HG2 THR 22 2HG2 THR 22 10.981 12.693 5.953 179 3HG2 THR 22 3HG2 THR 22 12.058 11.657 6.902 180 H CYS 23 H CSN 23 9.558 7.062 7.480 181 HA CYS 23 HA CSN 23 7.750 7.467 9.760 182 1HB CYS 23 2HB CSN 23 6.625 7.751 7.522 183 2HB CYS 23 3HB CSN 23 7.032 6.095 7.161 184 HA PRO 24 HA PRO 24 9.532 3.322 10.527 185 1HB PRO 24 1HB PRO 24 8.770 3.057 13.114 186 2HB PRO 24 2HB PRO 24 10.147 4.099 12.639 187 1HG PRO 24 1HG PRO 24 7.291 4.932 13.235 188 2HG PRO 24 2HG PRO 24 8.813 5.675 13.815 189 1HD PRO 24 1HD PRO 24 7.381 6.595 11.645 190 2HD PRO 24 2HD PRO 24 9.153 6.792 11.786 191 H TYR 25 H TYR 25 6.226 4.656 10.626 192 HA TYR 25 HA TYR 25 4.964 2.084 11.264 193 1HB TYR 25 1HB TYR 25 3.733 4.606 10.037 194 2HB TYR 25 2HB TYR 25 2.900 3.219 10.636 195 HD1 TYR 25 1HD TYR 25 4.003 2.640 13.301 196 HD2 TYR 25 2HD TYR 25 3.247 6.430 11.375 197 HE1 TYR 25 1HE TYR 25 3.648 3.713 15.512 198 HE2 TYR 25 2HE TYR 25 2.919 7.495 13.576 199 HH TYR 25 HH TYR 25 2.580 7.079 15.858 200 H CYS 26 H CYS 26 5.587 4.167 8.362 201 HA CYS 26 HA CYS 26 4.495 2.409 6.422 202 1HB CYS 26 1HB CYS 26 6.897 4.293 6.186 203 2HB CYS 26 2HB CYS 26 6.204 3.387 4.862 204 HG CYS 26 HG CYS 26 4.846 5.710 6.747 205 H ARG 27 H ARG 27 7.785 2.575 7.809 206 HA ARG 27 HA ARG 27 8.908 0.332 6.484 207 1HB ARG 27 1HB ARG 27 10.130 2.031 7.760 208 2HB ARG 27 2HB ARG 27 9.545 1.274 9.265 209 1HG ARG 27 1HG ARG 27 10.497 -0.910 8.407 210 2HG ARG 27 2HG ARG 27 11.196 -0.051 7.046 211 1HD ARG 27 1HD ARG 27 11.699 0.893 9.883 212 2HD ARG 27 2HD ARG 27 12.593 -0.484 9.238 213 HE ARG 27 HE ARG 27 12.710 2.339 8.322 214 1HH1 ARG 27 2HH2 ARG 27 13.645 -1.050 7.584 215 2HH1 ARG 27 1HH2 ARG 27 14.980 -0.608 6.615 216 1HH2 ARG 27 2HH1 ARG 27 14.391 2.871 6.805 217 2HH2 ARG 27 1HH1 ARG 27 15.389 1.648 6.087 218 H ARG 28 H ARG 28 6.962 0.344 9.584 219 HA ARG 28 HA ARG 28 7.327 -2.469 9.932 220 1HB ARG 28 1HB ARG 28 6.169 -1.004 11.637 221 2HB ARG 28 2HB ARG 28 4.761 -0.964 10.599 222 1HG ARG 28 1HG ARG 28 4.202 -2.875 11.955 223 2HG ARG 28 2HG ARG 28 4.945 -3.638 10.595 224 1HD ARG 28 1HD ARG 28 7.154 -3.619 11.737 225 2HD ARG 28 2HD ARG 28 6.425 -2.897 13.165 226 HE ARG 28 HE ARG 28 6.126 -5.632 12.058 227 1HH1 ARG 28 2HH2 ARG 28 5.516 -3.464 14.828 228 2HH1 ARG 28 1HH2 ARG 28 5.552 -4.713 16.007 229 1HH2 ARG 28 2HH1 ARG 28 5.786 -7.288 13.507 230 2HH2 ARG 28 1HH1 ARG 28 5.568 -7.060 15.196 231 H ALA 29 H ALA 29 4.613 -0.729 8.418 232 HA ALA 29 HA ALA 29 3.308 -3.005 7.434 233 1HB ALA 29 1HB ALA 29 2.380 -0.704 7.211 234 2HB ALA 29 2HB ALA 29 3.556 -0.370 5.910 235 3HB ALA 29 3HB ALA 29 2.298 -1.601 5.680 236 H GLN 30 H GLN 30 6.167 -1.386 5.975 237 HA GLN 30 HA GLN 30 6.395 -2.945 3.710 238 1HB GLN 30 1HB GLN 30 7.853 -0.908 5.030 239 2HB GLN 30 2HB GLN 30 8.980 -2.266 5.001 240 1HG GLN 30 1HG GLN 30 9.014 -2.328 2.661 241 2HG GLN 30 2HG GLN 30 7.386 -1.657 2.609 242 1HE2 GLN 30 2HE2 GLN 30 8.393 1.764 2.652 243 2HE2 GLN 30 1HE2 GLN 30 7.061 0.649 2.993 244 H GLU 31 H GLU 31 7.895 -3.596 6.926 245 HA GLU 31 HA GLU 31 9.013 -6.047 5.851 246 1HB GLU 31 1HB GLU 31 9.923 -6.486 7.939 247 2HB GLU 31 2HB GLU 31 9.989 -4.755 7.749 248 1HG GLU 31 1HG GLU 31 9.357 -4.859 9.923 249 2HG GLU 31 2HG GLU 31 7.784 -4.734 9.201 250 H ILE 32 H ILE 32 6.162 -5.280 7.823 251 HA ILE 32 HA ILE 32 5.100 -7.838 8.248 252 HB ILE 32 HB ILE 32 4.103 -5.033 7.967 253 1HG1 ILE 32 1HG1 ILE 32 3.837 -7.232 10.070 254 2HG1 ILE 32 2HG1 ILE 32 4.962 -5.871 10.118 255 1HG2 ILE 32 3HG2 ILE 32 2.151 -7.289 8.019 256 2HG2 ILE 32 1HG2 ILE 32 1.791 -5.567 8.333 257 3HG2 ILE 32 2HG2 ILE 32 2.375 -6.044 6.757 258 1HD1 ILE 32 3HD1 ILE 32 2.848 -4.367 10.212 259 2HD1 ILE 32 1HD1 ILE 32 1.957 -5.865 10.552 260 3HD1 ILE 32 2HD1 ILE 32 3.231 -5.338 11.656 261 H LEU 33 H LEU 33 4.777 -5.693 5.350 262 HA LEU 33 HA LEU 33 3.011 -7.643 4.164 263 1HB LEU 33 1HB LEU 33 4.326 -5.108 3.101 264 2HB LEU 33 2HB LEU 33 3.701 -6.271 1.967 265 HG LEU 33 HG LEU 33 1.999 -4.787 4.025 266 1HD1 LEU 33 1HD1 LEU 33 2.685 -3.467 2.103 267 2HD1 LEU 33 2HD1 LEU 33 2.019 -4.712 1.003 268 3HD1 LEU 33 3HD1 LEU 33 0.953 -3.820 2.086 269 1HD2 LEU 33 2HD2 LEU 33 1.377 -7.076 2.101 270 2HD2 LEU 33 3HD2 LEU 33 0.973 -6.911 3.828 271 3HD2 LEU 33 1HD2 LEU 33 0.130 -5.935 2.630 272 H SER 34 H SER 34 6.366 -6.529 3.670 273 HA SER 34 HA SER 34 7.014 -8.198 1.487 274 1HB SER 34 1HB SER 34 8.076 -6.033 2.249 275 2HB SER 34 2HB SER 34 8.936 -6.960 3.494 276 HG SER 34 HG SER 34 9.050 -7.190 0.658 277 H GLN 35 H GLN 35 6.878 -9.116 4.873 278 HA GLN 35 HA GLN 35 8.738 -11.308 4.725 279 1HB GLN 35 1HB GLN 35 6.336 -10.721 6.500 280 2HB GLN 35 2HB GLN 35 7.355 -12.128 6.720 281 1HG GLN 35 1HG GLN 35 8.936 -9.628 6.607 282 2HG GLN 35 2HG GLN 35 7.688 -9.591 7.852 283 1HE2 GLN 35 2HE2 GLN 35 10.314 -10.803 9.896 284 2HE2 GLN 35 1HE2 GLN 35 9.510 -9.358 9.327 285 H LEU 36 H LEU 36 5.428 -10.942 3.506 286 HA LEU 36 HA LEU 36 4.818 -13.780 3.626 287 1HB LEU 36 1HB LEU 36 3.555 -11.401 2.212 288 2HB LEU 36 2HB LEU 36 2.906 -13.029 2.095 289 HG LEU 36 HG LEU 36 3.174 -11.416 4.670 290 1HD1 LEU 36 1HD1 LEU 36 0.756 -12.245 3.016 291 2HD1 LEU 36 2HD1 LEU 36 0.691 -11.432 4.588 292 3HD1 LEU 36 3HD1 LEU 36 1.409 -10.597 3.199 293 1HD2 LEU 36 3HD2 LEU 36 2.114 -14.226 4.149 294 2HD2 LEU 36 1HD2 LEU 36 3.390 -13.727 5.283 295 3HD2 LEU 36 2HD2 LEU 36 1.708 -13.287 5.595 296 HA PRO 37 HA PRO 37 6.754 -14.833 -0.243 297 1HB PRO 37 1HB PRO 37 5.611 -17.215 -0.851 298 2HB PRO 37 2HB PRO 37 6.588 -16.991 0.626 299 1HG PRO 37 1HG PRO 37 3.563 -16.902 0.382 300 2HG PRO 37 2HG PRO 37 4.552 -17.818 1.563 301 1HD PRO 37 1HD PRO 37 3.454 -15.347 2.103 302 2HD PRO 37 2HD PRO 37 4.984 -15.895 2.833 303 H ILE 38 H ILE 38 5.546 -12.769 -0.994 304 HA ILE 38 HA ILE 38 3.107 -13.239 -2.607 305 HB ILE 38 HB ILE 38 4.752 -10.862 -1.550 306 1HG1 ILE 38 1HG1 ILE 38 1.733 -11.396 -1.428 307 2HG1 ILE 38 2HG1 ILE 38 2.878 -12.078 -0.280 308 1HG2 ILE 38 2HG2 ILE 38 2.530 -10.509 -3.644 309 2HG2 ILE 38 3HG2 ILE 38 3.233 -9.210 -2.679 310 3HG2 ILE 38 1HG2 ILE 38 4.238 -10.054 -3.820 311 1HD1 ILE 38 1HD1 ILE 38 3.688 -9.711 0.209 312 2HD1 ILE 38 2HD1 ILE 38 2.209 -9.158 -0.633 313 3HD1 ILE 38 3HD1 ILE 38 2.104 -10.160 0.815 314 H LYS 39 H LYS 39 3.016 -12.837 -4.857 315 HA LYS 39 HA LYS 39 4.970 -13.726 -6.371 316 1HB LYS 39 1HB LYS 39 2.505 -12.260 -6.857 317 2HB LYS 39 2HB LYS 39 3.647 -12.146 -8.185 318 1HG LYS 39 1HG LYS 39 2.942 -14.810 -6.873 319 2HG LYS 39 2HG LYS 39 1.962 -14.109 -8.136 320 1HD LYS 39 1HD LYS 39 4.887 -14.940 -8.346 321 2HD LYS 39 2HD LYS 39 3.485 -15.768 -9.042 322 1HE LYS 39 1HE LYS 39 3.017 -13.693 -10.409 323 2HE LYS 39 2HE LYS 39 4.540 -13.015 -9.821 324 1HZ LYS 39 3HZ LYS 39 5.672 -14.958 -10.820 325 2HZ LYS 39 1HZ LYS 39 4.190 -15.412 -11.484 326 3HZ LYS 39 2HZ LYS 39 4.911 -14.002 -11.876 327 H GLN 40 H GLN 40 6.874 -12.959 -7.303 328 HA GLN 40 HA GLN 40 8.043 -10.695 -6.127 329 1HB GLN 40 1HB GLN 40 9.117 -12.796 -7.124 330 2HB GLN 40 2HB GLN 40 9.013 -12.024 -8.702 331 1HG GLN 40 1HG GLN 40 10.303 -10.523 -6.398 332 2HG GLN 40 2HG GLN 40 11.157 -11.895 -7.086 333 1HE2 GLN 40 2HE2 GLN 40 12.692 -9.464 -9.172 334 2HE2 GLN 40 1HE2 GLN 40 12.872 -10.466 -7.755 335 H GLY 41 H GLY 41 8.282 -8.552 -6.771 336 1HA GLY 41 1HA GLY 41 8.123 -6.701 -8.072 337 2HA GLY 41 2HA GLY 41 7.602 -7.685 -9.448 338 H LEU 42 H LEU 42 5.363 -8.571 -7.054 339 HA LEU 42 HA LEU 42 3.386 -6.731 -8.078 340 1HB LEU 42 1HB LEU 42 3.346 -8.571 -5.648 341 2HB LEU 42 2HB LEU 42 2.012 -7.617 -6.248 342 HG LEU 42 HG LEU 42 3.216 -10.087 -7.411 343 1HD1 LEU 42 2HD1 LEU 42 1.292 -10.136 -5.824 344 2HD1 LEU 42 3HD1 LEU 42 0.366 -9.126 -6.966 345 3HD1 LEU 42 1HD1 LEU 42 0.846 -10.759 -7.427 346 1HD2 LEU 42 3HD2 LEU 42 1.550 -8.149 -9.018 347 2HD2 LEU 42 1HD2 LEU 42 3.200 -8.718 -9.382 348 3HD2 LEU 42 2HD2 LEU 42 1.848 -9.846 -9.436 349 H LEU 43 H LEU 43 5.409 -6.959 -5.133 350 HA LEU 43 HA LEU 43 3.825 -4.941 -3.789 351 1HB LEU 43 1HB LEU 43 5.336 -7.092 -2.897 352 2HB LEU 43 2HB LEU 43 6.404 -5.755 -2.588 353 HG LEU 43 HG LEU 43 5.381 -5.812 -0.598 354 1HD1 LEU 43 1HD1 LEU 43 4.737 -3.575 -1.564 355 2HD1 LEU 43 2HD1 LEU 43 3.121 -4.240 -1.857 356 3HD1 LEU 43 3HD1 LEU 43 3.765 -4.146 -0.214 357 1HD2 LEU 43 1HD2 LEU 43 2.921 -6.944 -1.932 358 2HD2 LEU 43 2HD2 LEU 43 4.084 -7.712 -0.855 359 3HD2 LEU 43 3HD2 LEU 43 2.969 -6.499 -0.210 360 H GLU 44 H GLU 44 4.116 -2.803 -4.442 361 HA GLU 44 HA GLU 44 6.956 -1.888 -4.679 362 1HB GLU 44 1HB GLU 44 5.831 -1.851 -6.898 363 2HB GLU 44 2HB GLU 44 4.610 -0.749 -6.221 364 1HG GLU 44 1HG GLU 44 6.511 0.807 -5.544 365 2HG GLU 44 2HG GLU 44 7.637 -0.287 -6.322 366 H PHE 45 H PHE 45 7.478 -0.612 -3.117 367 HA PHE 45 HA PHE 45 5.480 0.846 -1.501 368 1HB PHE 45 1HB PHE 45 8.469 0.462 -1.069 369 2HB PHE 45 2HB PHE 45 7.316 1.137 0.066 370 HD1 PHE 45 2HD PHE 45 5.265 -0.389 0.704 371 HD2 PHE 45 1HD PHE 45 8.959 -1.884 -0.951 372 HE1 PHE 45 2HE PHE 45 4.729 -2.666 1.538 373 HE2 PHE 45 1HE PHE 45 8.433 -4.139 -0.087 374 HZ PHE 45 HZ PHE 45 6.330 -4.537 1.174 375 H VAL 46 H VAL 46 4.881 2.559 -2.749 376 HA VAL 46 HA VAL 46 6.757 4.028 -4.463 377 HB VAL 46 HB VAL 46 3.747 4.249 -4.038 378 1HG1 VAL 46 2HG1 VAL 46 5.554 5.539 -6.145 379 2HG1 VAL 46 3HG1 VAL 46 3.779 5.613 -6.126 380 3HG1 VAL 46 1HG1 VAL 46 4.706 6.389 -4.839 381 1HG2 VAL 46 3HG2 VAL 46 5.355 3.003 -6.297 382 2HG2 VAL 46 1HG2 VAL 46 4.356 2.128 -5.115 383 3HG2 VAL 46 2HG2 VAL 46 3.592 3.217 -6.281 384 H ASP 47 H ASP 47 7.960 5.480 -3.442 385 HA ASP 47 HA ASP 47 7.335 6.684 -0.917 386 1HB ASP 47 1HB ASP 47 9.571 6.025 -1.797 387 2HB ASP 47 2HB ASP 47 9.499 7.379 -2.911 388 H ILE 48 H ILE 48 5.751 8.166 -0.748 389 HA ILE 48 HA ILE 48 4.983 9.925 -2.899 390 HB ILE 48 HB ILE 48 3.461 10.941 -1.366 391 1HG1 ILE 48 1HG1 ILE 48 4.388 9.264 0.981 392 2HG1 ILE 48 2HG1 ILE 48 4.965 10.889 0.732 393 1HG2 ILE 48 3HG2 ILE 48 2.996 8.660 -2.371 394 2HG2 ILE 48 1HG2 ILE 48 3.547 7.914 -0.864 395 3HG2 ILE 48 2HG2 ILE 48 2.104 8.937 -0.863 396 1HD1 ILE 48 1HD1 ILE 48 2.539 11.656 0.723 397 2HD1 ILE 48 2HD1 ILE 48 2.083 10.000 1.162 398 3HD1 ILE 48 3HD1 ILE 48 3.098 10.950 2.256 399 H THR 49 H THR 49 7.642 10.125 -0.747 400 HA THR 49 HA THR 49 7.706 13.081 -0.840 401 HB THR 49 HB THR 49 9.265 13.018 0.873 402 HG1 THR 49 HG1 THR 49 9.570 10.243 0.326 403 1HG2 THR 49 1HG2 THR 49 6.969 12.454 1.667 404 2HG2 THR 49 2HG2 THR 49 7.389 10.729 1.575 405 3HG2 THR 49 3HG2 THR 49 8.241 11.792 2.704 406 H ALA 50 H ALA 50 8.721 10.423 -2.663 407 HA ALA 50 HA ALA 50 11.285 11.477 -3.530 408 1HB ALA 50 3HB ALA 50 10.906 9.062 -3.335 409 2HB ALA 50 1HB ALA 50 9.646 9.150 -4.603 410 3HB ALA 50 2HB ALA 50 11.339 9.560 -4.963 411 H THR 51 H THR 51 10.230 13.436 -3.864 412 HA THR 51 HA THR 51 9.956 15.223 -5.161 413 HB THR 51 HB THR 51 11.214 15.234 -7.211 414 HG1 THR 51 HG1 THR 51 10.886 13.519 -8.335 415 1HG2 THR 51 2HG2 THR 51 12.420 15.150 -5.043 416 2HG2 THR 51 3HG2 THR 51 12.545 13.379 -5.203 417 3HG2 THR 51 1HG2 THR 51 13.333 14.437 -6.384 418 H ASN 52 H ASN 52 7.653 12.991 -5.582 419 HA ASN 52 HA ASN 52 6.302 14.486 -7.747 420 1HB ASN 52 1HB ASN 52 5.795 12.090 -7.297 421 2HB ASN 52 2HB ASN 52 5.048 12.539 -5.771 422 1HD2 ASN 52 2HD2 ASN 52 3.220 13.320 -9.418 423 2HD2 ASN 52 1HD2 ASN 52 4.901 12.834 -9.302 424 H HIS 53 H HIS 53 4.282 14.134 -4.947 425 HA HIS 53 HA HIS 53 5.026 16.568 -3.531 426 1HB HIS 53 1HB HIS 53 2.634 16.397 -5.377 427 2HB HIS 53 2HB HIS 53 2.574 17.383 -3.925 428 HD1 HIS 53 1HD HIS 53 2.281 18.638 -6.851 429 HD2 HIS 53 2HD HIS 53 5.641 18.625 -4.300 430 HE1 HIS 53 1HE HIS 53 3.701 20.634 -7.506 431 H THR 54 H THR 54 5.114 15.124 -1.760 432 HA THR 54 HA THR 54 3.285 13.137 -1.114 433 HB THR 54 HB THR 54 4.972 12.919 0.276 434 HG1 THR 54 HG1 THR 54 3.362 13.107 1.825 435 1HG2 THR 54 3HG2 THR 54 5.244 15.868 0.619 436 2HG2 THR 54 1HG2 THR 54 6.262 14.600 1.374 437 3HG2 THR 54 2HG2 THR 54 6.261 14.779 -0.382 438 H ASN 55 H ASN 55 3.330 16.333 0.236 439 HA ASN 55 HA ASN 55 0.969 16.238 1.655 440 1HB ASN 55 1HB ASN 55 2.849 18.262 1.064 441 2HB ASN 55 2HB ASN 55 1.300 18.913 0.552 442 1HD2 ASN 55 2HD2 ASN 55 1.960 18.066 4.542 443 2HD2 ASN 55 1HD2 ASN 55 3.030 17.393 3.348 444 H GLU 56 H GLU 56 1.096 16.788 -1.904 445 HA GLU 56 HA GLU 56 -1.812 17.269 -1.909 446 1HB GLU 56 1HB GLU 56 -1.598 18.299 -3.831 447 2HB GLU 56 2HB GLU 56 0.089 18.460 -3.331 448 1HG GLU 56 1HG GLU 56 0.499 16.259 -4.540 449 2HG GLU 56 2HG GLU 56 -1.146 16.405 -5.159 450 H ILE 57 H ILE 57 0.512 14.671 -2.627 451 HA ILE 57 HA ILE 57 -1.343 12.805 -3.778 452 HB ILE 57 HB ILE 57 1.283 12.613 -2.252 453 1HG1 ILE 57 1HG1 ILE 57 0.508 11.443 -4.954 454 2HG1 ILE 57 2HG1 ILE 57 1.091 13.100 -4.750 455 1HG2 ILE 57 1HG2 ILE 57 -0.594 10.308 -2.820 456 2HG2 ILE 57 2HG2 ILE 57 1.136 10.061 -2.672 457 3HG2 ILE 57 3HG2 ILE 57 0.243 10.722 -1.309 458 1HD1 ILE 57 3HD1 ILE 57 3.202 12.302 -3.770 459 2HD1 ILE 57 1HD1 ILE 57 2.692 10.618 -4.013 460 3HD1 ILE 57 2HD1 ILE 57 2.925 11.665 -5.400 461 H GLN 58 H GLN 58 -0.587 13.856 -0.504 462 HA GLN 58 HA GLN 58 -1.979 11.905 1.008 463 1HB GLN 58 1HB GLN 58 -0.909 14.727 1.378 464 2HB GLN 58 2HB GLN 58 -2.030 14.120 2.579 465 1HG GLN 58 1HG GLN 58 0.569 12.723 1.833 466 2HG GLN 58 2HG GLN 58 0.388 13.817 3.179 467 1HE2 GLN 58 2HE2 GLN 58 -1.121 10.024 3.452 468 2HE2 GLN 58 1HE2 GLN 58 -0.144 10.526 2.092 469 H ASP 59 H ASP 59 -2.973 15.183 -0.114 470 HA ASP 59 HA ASP 59 -5.674 15.219 0.657 471 1HB ASP 59 1HB ASP 59 -4.287 17.048 -0.445 472 2HB ASP 59 2HB ASP 59 -4.498 16.278 -1.962 473 H TYR 60 H TYR 60 -4.282 14.375 -2.375 474 HA TYR 60 HA TYR 60 -6.537 13.348 -3.708 475 1HB TYR 60 1HB TYR 60 -4.356 13.808 -4.815 476 2HB TYR 60 2HB TYR 60 -3.702 12.317 -4.125 477 HD1 TYR 60 2HD TYR 60 -6.368 13.710 -6.350 478 HD2 TYR 60 1HD TYR 60 -4.253 10.155 -5.099 479 HE1 TYR 60 2HE TYR 60 -7.601 12.382 -8.014 480 HE2 TYR 60 1HE TYR 60 -5.496 8.823 -6.779 481 HH TYR 60 HH TYR 60 -7.323 8.838 -8.341 482 H LEU 61 H LEU 61 -4.323 11.464 -1.592 483 HA LEU 61 HA LEU 61 -5.600 8.931 -2.019 484 1HB LEU 61 1HB LEU 61 -3.890 10.062 0.216 485 2HB LEU 61 2HB LEU 61 -4.585 8.457 0.351 486 HG LEU 61 HG LEU 61 -2.936 9.228 -2.079 487 1HD1 LEU 61 2HD1 LEU 61 -1.888 8.192 0.591 488 2HD1 LEU 61 3HD1 LEU 61 -0.959 8.257 -0.927 489 3HD1 LEU 61 1HD1 LEU 61 -1.539 9.747 -0.161 490 1HD2 LEU 61 3HD2 LEU 61 -4.276 7.155 -2.189 491 2HD2 LEU 61 1HD2 LEU 61 -2.540 6.826 -2.198 492 3HD2 LEU 61 2HD2 LEU 61 -3.492 6.561 -0.716 493 H GLN 62 H GLN 62 -6.306 11.638 0.199 494 HA GLN 62 HA GLN 62 -8.357 10.221 1.628 495 1HB GLN 62 1HB GLN 62 -7.176 12.378 2.291 496 2HB GLN 62 2HB GLN 62 -8.240 13.224 1.206 497 1HG GLN 62 1HG GLN 62 -10.061 13.032 2.551 498 2HG GLN 62 2HG GLN 62 -9.683 11.395 3.048 499 1HE2 GLN 62 2HE2 GLN 62 -9.349 13.856 5.946 500 2HE2 GLN 62 1HE2 GLN 62 -10.497 13.777 4.643 501 H GLN 63 H GLN 63 -8.318 12.166 -1.299 502 HA GLN 63 HA GLN 63 -11.140 12.184 -1.757 503 1HB GLN 63 1HB GLN 63 -9.126 13.514 -2.888 504 2HB GLN 63 2HB GLN 63 -9.094 12.164 -3.999 505 1HG GLN 63 1HG GLN 63 -10.397 13.777 -5.055 506 2HG GLN 63 2HG GLN 63 -11.548 12.592 -4.468 507 1HE2 GLN 63 2HE2 GLN 63 -12.395 16.336 -3.628 508 2HE2 GLN 63 1HE2 GLN 63 -11.553 15.717 -5.036 509 H LEU 64 H LEU 64 -8.597 10.087 -3.089 510 HA LEU 64 HA LEU 64 -10.433 8.436 -4.552 511 1HB LEU 64 1HB LEU 64 -8.262 8.564 -5.447 512 2HB LEU 64 2HB LEU 64 -7.507 8.299 -3.885 513 HG LEU 64 HG LEU 64 -8.221 5.889 -3.937 514 1HD1 LEU 64 3HD1 LEU 64 -9.042 6.581 -6.794 515 2HD1 LEU 64 1HD1 LEU 64 -8.902 4.943 -6.119 516 3HD1 LEU 64 2HD1 LEU 64 -10.125 6.047 -5.494 517 1HD2 LEU 64 2HD2 LEU 64 -6.550 6.851 -6.282 518 2HD2 LEU 64 3HD2 LEU 64 -5.964 6.577 -4.620 519 3HD2 LEU 64 1HD2 LEU 64 -6.540 5.218 -5.606 520 H THR 65 H THR 65 -8.588 7.758 -1.485 521 HA THR 65 HA THR 65 -10.039 5.184 -1.341 522 HB THR 65 HB THR 65 -8.415 4.448 0.216 523 HG1 THR 65 HG1 THR 65 -7.377 7.094 0.187 524 1HG2 THR 65 1HG2 THR 65 -7.817 4.339 -2.155 525 2HG2 THR 65 2HG2 THR 65 -6.948 5.894 -2.019 526 3HG2 THR 65 3HG2 THR 65 -6.393 4.482 -1.108 527 H GLY 66 H GLY 66 -10.220 8.293 0.250 528 1HA GLY 66 1HA GLY 66 -12.088 8.816 1.573 529 2HA GLY 66 2HA GLY 66 -12.184 7.153 2.148 530 H ALA 67 H ALA 67 -8.878 7.944 2.145 531 HA ALA 67 HA ALA 67 -8.727 9.814 4.292 532 1HB ALA 67 3HB ALA 67 -8.386 6.878 4.877 533 2HB ALA 67 1HB ALA 67 -7.489 8.110 5.794 534 3HB ALA 67 2HB ALA 67 -9.266 8.105 5.801 535 H ARG 68 H ARG 68 -6.603 10.514 4.611 536 HA ARG 68 HA ARG 68 -4.784 9.907 2.400 537 1HB ARG 68 1HB ARG 68 -3.533 11.806 3.200 538 2HB ARG 68 2HB ARG 68 -5.239 12.215 3.174 539 1HG ARG 68 1HG ARG 68 -5.310 11.735 5.672 540 2HG ARG 68 2HG ARG 68 -3.547 11.598 5.626 541 1HD ARG 68 1HD ARG 68 -3.345 13.871 4.752 542 2HD ARG 68 2HD ARG 68 -5.105 14.044 4.675 543 HE ARG 68 HE ARG 68 -3.386 14.343 6.952 544 1HH1 ARG 68 2HH2 ARG 68 -6.734 13.572 6.002 545 2HH1 ARG 68 1HH2 ARG 68 -7.415 14.035 7.530 546 1HH2 ARG 68 2HH1 ARG 68 -4.292 14.798 9.030 547 2HH2 ARG 68 1HH1 ARG 68 -6.005 14.598 9.291 548 H THR 69 H THR 69 -4.978 8.938 5.804 549 HA THR 69 HA THR 69 -2.356 9.336 6.490 550 HB THR 69 HB THR 69 -2.936 7.561 8.274 551 HG1 THR 69 HG1 THR 69 -5.110 6.902 8.301 552 1HG2 THR 69 2HG2 THR 69 -3.295 10.003 8.597 553 2HG2 THR 69 3HG2 THR 69 -4.911 9.868 7.869 554 3HG2 THR 69 1HG2 THR 69 -4.550 9.044 9.400 555 H VAL 70 H VAL 70 -0.479 8.276 6.393 556 HA VAL 70 HA VAL 70 -0.425 5.930 4.610 557 HB VAL 70 HB VAL 70 2.138 6.645 4.519 558 1HG1 VAL 70 1HG1 VAL 70 -0.112 8.020 3.012 559 2HG1 VAL 70 2HG1 VAL 70 1.600 7.955 2.511 560 3HG1 VAL 70 3HG1 VAL 70 0.651 6.473 2.611 561 1HG2 VAL 70 3HG2 VAL 70 1.974 8.510 6.153 562 2HG2 VAL 70 1HG2 VAL 70 2.447 9.062 4.536 563 3HG2 VAL 70 2HG2 VAL 70 0.802 9.332 5.094 564 HA PRO 71 HA PRO 71 1.818 4.497 4.029 565 1HB PRO 71 1HB PRO 71 1.768 1.767 4.181 566 2HB PRO 71 2HB PRO 71 3.153 2.736 4.754 567 1HG PRO 71 1HG PRO 71 0.833 1.652 6.387 568 2HG PRO 71 2HG PRO 71 2.579 1.518 6.752 569 1HD PRO 71 1HD PRO 71 1.075 3.433 7.905 570 2HD PRO 71 2HD PRO 71 2.741 3.789 7.377 571 H ARG 72 H ARG 72 0.513 3.618 2.317 572 HA ARG 72 HA ARG 72 -2.365 3.103 2.987 573 1HB ARG 72 1HB ARG 72 -0.947 4.996 1.113 574 2HB ARG 72 2HB ARG 72 -2.360 4.227 0.454 575 1HG ARG 72 1HG ARG 72 -2.300 5.761 3.032 576 2HG ARG 72 2HG ARG 72 -2.777 6.456 1.502 577 1HD ARG 72 1HD ARG 72 -4.846 5.542 1.494 578 2HD ARG 72 2HD ARG 72 -4.289 3.994 2.152 579 HE ARG 72 HE ARG 72 -3.930 5.700 4.227 580 1HH1 ARG 72 2HH2 ARG 72 -6.855 5.228 2.289 581 2HH1 ARG 72 1HH2 ARG 72 -7.934 5.117 3.628 582 1HH2 ARG 72 2HH1 ARG 72 -5.288 5.911 5.961 583 2HH2 ARG 72 1HH1 ARG 72 -6.968 5.583 5.881 584 H VAL 73 H VAL 73 -2.745 0.929 2.473 585 HA VAL 73 HA VAL 73 -0.989 -0.303 0.403 586 HB VAL 73 HB VAL 73 -2.646 -1.491 2.651 587 1HG1 VAL 73 3HG1 VAL 73 -1.182 -2.917 0.365 588 2HG1 VAL 73 1HG1 VAL 73 -1.778 -3.722 1.832 589 3HG1 VAL 73 2HG1 VAL 73 -2.912 -2.992 0.716 590 1HG2 VAL 73 2HG2 VAL 73 0.339 -1.515 2.104 591 2HG2 VAL 73 3HG2 VAL 73 -0.502 -0.646 3.417 592 3HG2 VAL 73 1HG2 VAL 73 -0.469 -2.409 3.368 593 H PHE 74 H PHE 74 -1.815 -0.661 -1.529 594 HA PHE 74 HA PHE 74 -4.724 -1.124 -1.920 595 1HB PHE 74 1HB PHE 74 -2.681 0.267 -3.652 596 2HB PHE 74 2HB PHE 74 -3.722 -0.883 -4.425 597 HD1 PHE 74 1HD PHE 74 -6.120 -0.677 -4.392 598 HD2 PHE 74 2HD PHE 74 -3.601 2.543 -3.181 599 HE1 PHE 74 1HE PHE 74 -8.000 0.943 -4.811 600 HE2 PHE 74 2HE PHE 74 -5.429 4.145 -3.548 601 HZ PHE 74 HZ PHE 74 -7.648 3.342 -4.383 602 H ILE 75 H ILE 75 -4.865 -3.310 -1.697 603 HA ILE 75 HA ILE 75 -2.858 -5.043 -3.056 604 HB ILE 75 HB ILE 75 -4.784 -5.527 -0.844 605 1HG1 ILE 75 1HG1 ILE 75 -3.213 -7.572 -0.551 606 2HG1 ILE 75 2HG1 ILE 75 -2.204 -6.788 -1.780 607 1HG2 ILE 75 1HG2 ILE 75 -4.372 -7.556 -3.105 608 2HG2 ILE 75 2HG2 ILE 75 -5.099 -7.946 -1.551 609 3HG2 ILE 75 3HG2 ILE 75 -5.930 -6.848 -2.628 610 1HD1 ILE 75 1HD1 ILE 75 -1.965 -4.910 -0.273 611 2HD1 ILE 75 2HD1 ILE 75 -2.919 -5.776 0.965 612 3HD1 ILE 75 3HD1 ILE 75 -1.355 -6.423 0.408 613 H GLY 76 H GLY 76 -3.311 -5.244 -5.161 614 1HA GLY 76 1HA GLY 76 -4.320 -4.897 -7.164 615 2HA GLY 76 2HA GLY 76 -5.338 -6.184 -6.551 616 H LYS 77 H LYS 77 -5.092 -2.672 -6.867 617 HA LYS 77 HA LYS 77 -6.509 -1.007 -6.804 618 1HB LYS 77 1HB LYS 77 -7.081 -2.643 -8.953 619 2HB LYS 77 2HB LYS 77 -8.673 -2.440 -8.257 620 1HG LYS 77 1HG LYS 77 -7.341 0.153 -8.294 621 2HG LYS 77 2HG LYS 77 -7.044 -0.633 -9.830 622 1HD LYS 77 1HD LYS 77 -9.013 0.820 -9.940 623 2HD LYS 77 2HD LYS 77 -9.515 -0.870 -10.182 624 1HE LYS 77 1HE LYS 77 -10.408 -1.035 -7.968 625 2HE LYS 77 2HE LYS 77 -9.520 0.390 -7.435 626 1HZ LYS 77 3HZ LYS 77 -11.825 0.541 -9.263 627 2HZ LYS 77 1HZ LYS 77 -11.820 0.801 -7.642 628 3HZ LYS 77 2HZ LYS 77 -10.941 1.784 -8.625 629 H ASP 78 H ASP 78 -7.074 -3.045 -4.416 630 HA ASP 78 HA ASP 78 -9.087 -1.012 -3.684 631 1HB ASP 78 1HB ASP 78 -9.493 -3.921 -3.238 632 2HB ASP 78 2HB ASP 78 -10.020 -2.785 -1.990 633 H CYS 79 H CYS 79 -8.661 0.168 -2.130 634 HA CYS 79 HA CYS 79 -6.206 0.028 -0.660 635 1HB CYS 79 1HB CYS 79 -7.265 2.150 -1.417 636 2HB CYS 79 2HB CYS 79 -8.571 1.920 -0.252 637 HG CYS 79 HG CYS 79 -7.167 1.960 1.852 638 H ILE 80 H ILE 80 -5.949 -1.362 1.051 639 HA ILE 80 HA ILE 80 -8.322 -2.422 2.316 640 HB ILE 80 HB ILE 80 -6.910 -4.022 3.246 641 1HG1 ILE 80 1HG1 ILE 80 -4.291 -3.720 2.705 642 2HG1 ILE 80 2HG1 ILE 80 -4.735 -2.015 2.787 643 1HG2 ILE 80 2HG2 ILE 80 -7.274 -4.154 0.757 644 2HG2 ILE 80 3HG2 ILE 80 -5.661 -3.460 0.530 645 3HG2 ILE 80 1HG2 ILE 80 -5.841 -5.018 1.353 646 1HD1 ILE 80 3HD1 ILE 80 -5.886 -2.790 5.100 647 2HD1 ILE 80 1HD1 ILE 80 -4.753 -4.124 4.919 648 3HD1 ILE 80 2HD1 ILE 80 -4.163 -2.440 4.986 649 H GLY 81 H GLY 81 -6.044 0.110 2.959 650 1HA GLY 81 1HA GLY 81 -7.137 1.678 4.731 651 2HA GLY 81 2HA GLY 81 -6.864 0.287 5.798 652 H GLY 82 H GLY 82 -5.547 1.781 6.982 653 1HA GLY 82 1HA GLY 82 -2.904 2.397 5.817 654 2HA GLY 82 2HA GLY 82 -3.556 3.140 7.286 655 H CYS 83 H CYS 83 -1.537 2.428 8.466 656 HA CYS 83 HA CYS 83 -0.484 -0.228 8.128 657 1HB CYS 83 1HB CYS 83 0.889 0.441 10.175 658 2HB CYS 83 2HB CYS 83 1.136 1.402 8.737 659 HG CYS 83 HG CYS 83 1.199 2.953 10.875 660 H SER 84 H SER 84 -2.728 1.344 10.435 661 HA SER 84 HA SER 84 -2.407 -0.793 12.305 662 1HB SER 84 1HB SER 84 -3.137 1.605 12.794 663 2HB SER 84 2HB SER 84 -4.745 1.133 12.255 664 HG SER 84 HG SER 84 -4.646 -0.548 13.926 665 H ASP 85 H ASP 85 -4.839 -0.034 9.767 666 HA ASP 85 HA ASP 85 -6.505 -2.358 10.259 667 1HB ASP 85 1HB ASP 85 -6.165 -0.422 7.968 668 2HB ASP 85 2HB ASP 85 -7.015 -1.941 7.687 669 H LEU 86 H LEU 86 -3.777 -1.676 8.043 670 HA LEU 86 HA LEU 86 -3.557 -4.169 6.821 671 1HB LEU 86 1HB LEU 86 -2.388 -2.015 6.266 672 2HB LEU 86 2HB LEU 86 -1.332 -2.254 7.641 673 HG LEU 86 HG LEU 86 -0.375 -2.729 5.452 674 1HD1 LEU 86 2HD1 LEU 86 0.502 -3.772 7.536 675 2HD1 LEU 86 3HD1 LEU 86 -0.296 -5.283 7.028 676 3HD1 LEU 86 1HD1 LEU 86 0.933 -4.533 6.003 677 1HD2 LEU 86 2HD2 LEU 86 -2.312 -3.761 4.315 678 2HD2 LEU 86 3HD2 LEU 86 -0.879 -4.784 4.224 679 3HD2 LEU 86 1HD2 LEU 86 -2.169 -5.197 5.363 680 H VAL 87 H VAL 87 -2.218 -3.143 10.032 681 HA VAL 87 HA VAL 87 -0.898 -5.562 10.617 682 HB VAL 87 HB VAL 87 -1.926 -3.169 12.096 683 1HG1 VAL 87 2HG1 VAL 87 -1.250 -5.753 13.518 684 2HG1 VAL 87 3HG1 VAL 87 -1.315 -4.139 14.268 685 3HG1 VAL 87 1HG1 VAL 87 -2.783 -4.847 13.594 686 1HG2 VAL 87 3HG2 VAL 87 0.388 -3.400 11.139 687 2HG2 VAL 87 1HG2 VAL 87 0.329 -3.050 12.883 688 3HG2 VAL 87 2HG2 VAL 87 0.690 -4.694 12.313 689 H SER 88 H SER 88 -4.402 -4.622 11.109 690 HA SER 88 HA SER 88 -5.073 -7.036 12.534 691 1HB SER 88 1HB SER 88 -6.575 -4.890 11.088 692 2HB SER 88 2HB SER 88 -7.272 -6.493 10.907 693 HG SER 88 HG SER 88 -6.689 -5.264 13.408 694 H LEU 89 H LEU 89 -5.156 -6.140 9.032 695 HA LEU 89 HA LEU 89 -6.082 -8.646 8.147 696 1HB LEU 89 1HB LEU 89 -4.495 -6.470 6.728 697 2HB LEU 89 2HB LEU 89 -4.977 -7.959 5.969 698 HG LEU 89 HG LEU 89 -7.387 -7.410 6.697 699 1HD1 LEU 89 2HD1 LEU 89 -6.176 -4.644 6.738 700 2HD1 LEU 89 3HD1 LEU 89 -7.898 -4.974 6.486 701 3HD1 LEU 89 1HD1 LEU 89 -7.140 -5.452 8.001 702 1HD2 LEU 89 1HD2 LEU 89 -6.603 -7.634 4.380 703 2HD2 LEU 89 2HD2 LEU 89 -7.733 -6.285 4.536 704 3HD2 LEU 89 3HD2 LEU 89 -5.984 -5.971 4.410 705 H GLN 90 H GLN 90 -2.684 -7.590 8.800 706 HA GLN 90 HA GLN 90 -1.418 -10.076 7.992 707 1HB GLN 90 1HB GLN 90 -0.226 -8.074 8.154 708 2HB GLN 90 2HB GLN 90 -0.425 -8.092 9.919 709 1HG GLN 90 1HG GLN 90 1.612 -9.093 9.206 710 2HG GLN 90 2HG GLN 90 0.688 -10.299 10.054 711 1HE2 GLN 90 2HE2 GLN 90 2.067 -10.957 6.265 712 2HE2 GLN 90 1HE2 GLN 90 2.508 -9.492 7.061 713 H GLN 91 H GLN 91 -2.050 -8.868 11.377 714 HA GLN 91 HA GLN 91 -1.332 -11.112 12.653 715 1HB GLN 91 1HB GLN 91 -2.112 -8.523 13.185 716 2HB GLN 91 2HB GLN 91 -3.472 -9.377 13.878 717 1HG GLN 91 1HG GLN 91 -0.567 -10.052 14.502 718 2HG GLN 91 2HG GLN 91 -1.412 -8.680 15.207 719 1HE2 GLN 91 2HE2 GLN 91 -2.909 -12.443 16.031 720 2HE2 GLN 91 1HE2 GLN 91 -1.773 -12.235 14.740 721 H SER 92 H SER 92 -4.638 -10.249 11.593 722 HA SER 92 HA SER 92 -5.725 -12.744 12.735 723 1HB SER 92 1HB SER 92 -6.692 -10.158 12.668 724 2HB SER 92 2HB SER 92 -7.506 -10.857 11.262 725 HG SER 92 HG SER 92 -8.322 -12.485 12.594 726 H GLY 93 H GLY 93 -4.217 -11.833 9.879 727 1HA GLY 93 1HA GLY 93 -3.781 -13.084 8.121 728 2HA GLY 93 2HA GLY 93 -4.964 -14.271 8.638 729 H GLU 94 H GLU 94 -6.516 -11.093 8.200 730 HA GLU 94 HA GLU 94 -7.957 -12.203 5.975 731 1HB GLU 94 1HB GLU 94 -9.078 -10.647 7.350 732 2HB GLU 94 2HB GLU 94 -7.817 -9.444 7.189 733 1HG GLU 94 1HG GLU 94 -8.397 -9.002 4.881 734 2HG GLU 94 2HG GLU 94 -9.398 -10.450 4.797 735 H LEU 95 H LEU 95 -5.009 -10.375 6.281 736 HA LEU 95 HA LEU 95 -4.644 -9.269 3.735 737 1HB LEU 95 1HB LEU 95 -3.151 -8.867 5.694 738 2HB LEU 95 2HB LEU 95 -2.644 -10.550 5.651 739 HG LEU 95 HG LEU 95 -1.499 -10.161 3.545 740 1HD1 LEU 95 3HD1 LEU 95 -2.442 -7.258 3.793 741 2HD1 LEU 95 1HD1 LEU 95 -1.271 -7.886 2.602 742 3HD1 LEU 95 2HD1 LEU 95 -2.951 -8.409 2.533 743 1HD2 LEU 95 1HD2 LEU 95 -0.473 -9.698 5.784 744 2HD2 LEU 95 2HD2 LEU 95 0.286 -8.851 4.444 745 3HD2 LEU 95 3HD2 LEU 95 -0.815 -7.972 5.546 746 H LEU 96 H LEU 96 -4.247 -12.651 4.810 747 HA LEU 96 HA LEU 96 -2.613 -13.408 2.550 748 1HB LEU 96 1HB LEU 96 -4.203 -14.993 4.623 749 2HB LEU 96 2HB LEU 96 -3.320 -15.778 3.338 750 HG LEU 96 HG LEU 96 -2.189 -15.745 5.545 751 1HD1 LEU 96 1HD1 LEU 96 -0.922 -16.139 3.494 752 2HD1 LEU 96 2HD1 LEU 96 -0.579 -14.387 3.359 753 3HD1 LEU 96 3HD1 LEU 96 0.047 -15.338 4.723 754 1HD2 LEU 96 1HD2 LEU 96 -2.700 -13.399 6.241 755 2HD2 LEU 96 2HD2 LEU 96 -0.997 -13.835 6.386 756 3HD2 LEU 96 3HD2 LEU 96 -1.523 -12.820 5.034 757 H THR 97 H THR 97 -6.110 -13.937 3.340 758 HA THR 97 HA THR 97 -6.815 -15.007 0.805 759 HB THR 97 HB THR 97 -8.455 -13.353 2.791 760 HG1 THR 97 HG1 THR 97 -7.932 -16.135 2.654 761 1HG2 THR 97 1HG2 THR 97 -9.621 -13.808 0.608 762 2HG2 THR 97 2HG2 THR 97 -9.404 -15.546 0.893 763 3HG2 THR 97 3HG2 THR 97 -10.389 -14.573 2.006 764 H ARG 98 H ARG 98 -6.869 -11.615 2.053 765 HA ARG 98 HA ARG 98 -7.876 -10.314 -0.183 766 1HB ARG 98 1HB ARG 98 -7.179 -9.374 2.110 767 2HB ARG 98 2HB ARG 98 -5.541 -9.293 1.490 768 1HG ARG 98 1HG ARG 98 -5.989 -7.310 0.568 769 2HG ARG 98 2HG ARG 98 -7.175 -8.059 -0.508 770 1HD ARG 98 1HD ARG 98 -7.688 -6.951 2.262 771 2HD ARG 98 2HD ARG 98 -8.133 -6.227 0.706 772 HE ARG 98 HE ARG 98 -9.306 -8.720 0.626 773 1HH1 ARG 98 2HH2 ARG 98 -9.832 -5.915 2.811 774 2HH1 ARG 98 1HH2 ARG 98 -11.137 -6.681 3.612 775 1HH2 ARG 98 2HH1 ARG 98 -10.962 -9.704 1.793 776 2HH2 ARG 98 1HH1 ARG 98 -11.938 -8.781 2.881 777 H LEU 99 H LEU 99 -4.448 -11.166 0.454 778 HA LEU 99 HA LEU 99 -3.429 -10.158 -2.041 779 1HB LEU 99 1HB LEU 99 -2.519 -12.103 0.128 780 2HB LEU 99 2HB LEU 99 -1.524 -11.873 -1.277 781 HG LEU 99 HG LEU 99 -2.330 -9.553 0.484 782 1HD1 LEU 99 1HD1 LEU 99 -1.095 -11.300 1.743 783 2HD1 LEU 99 2HD1 LEU 99 0.167 -11.308 0.518 784 3HD1 LEU 99 3HD1 LEU 99 -0.108 -9.844 1.507 785 1HD2 LEU 99 1HD2 LEU 99 -1.550 -9.001 -1.834 786 2HD2 LEU 99 2HD2 LEU 99 -0.404 -8.470 -0.586 787 3HD2 LEU 99 3HD2 LEU 99 -0.075 -9.926 -1.546 788 H LYS 100 H LYS 100 -4.460 -13.454 -0.993 789 HA LYS 100 HA LYS 100 -3.619 -14.595 -3.495 790 1HB LYS 100 1HB LYS 100 -5.294 -15.488 -1.138 791 2HB LYS 100 2HB LYS 100 -5.390 -16.394 -2.635 792 1HG LYS 100 1HG LYS 100 -2.744 -16.274 -2.644 793 2HG LYS 100 2HG LYS 100 -2.913 -15.680 -1.007 794 1HD LYS 100 1HD LYS 100 -2.502 -18.106 -0.937 795 2HD LYS 100 2HD LYS 100 -4.177 -17.836 -0.429 796 1HE LYS 100 1HE LYS 100 -5.008 -18.475 -2.622 797 2HE LYS 100 2HE LYS 100 -3.385 -18.431 -3.320 798 1HZ LYS 100 1HZ LYS 100 -4.318 -20.361 -1.299 799 2HZ LYS 100 2HZ LYS 100 -4.124 -20.650 -2.906 800 3HZ LYS 100 3HZ LYS 100 -2.806 -20.327 -1.982 801 H GLN 101 H GLN 101 -6.652 -13.050 -2.568 802 HA GLN 101 HA GLN 101 -8.113 -13.769 -4.821 803 1HB GLN 101 1HB GLN 101 -8.558 -12.122 -2.700 804 2HB GLN 101 2HB GLN 101 -8.199 -10.906 -3.914 805 1HG GLN 101 1HG GLN 101 -10.563 -11.213 -3.906 806 2HG GLN 101 2HG GLN 101 -10.005 -12.036 -5.366 807 1HE2 GLN 101 2HE2 GLN 101 -12.441 -14.241 -3.436 808 2HE2 GLN 101 1HE2 GLN 101 -12.557 -12.570 -3.972 809 H ILE 102 H ILE 102 -5.324 -11.494 -4.632 810 HA ILE 102 HA ILE 102 -5.685 -10.884 -7.505 811 HB ILE 102 HB ILE 102 -4.321 -9.076 -7.263 812 1HG1 ILE 102 1HG1 ILE 102 -3.482 -9.268 -4.403 813 2HG1 ILE 102 2HG1 ILE 102 -2.827 -10.485 -5.425 814 1HG2 ILE 102 1HG2 ILE 102 -6.475 -8.777 -6.127 815 2HG2 ILE 102 2HG2 ILE 102 -5.756 -9.318 -4.579 816 3HG2 ILE 102 3HG2 ILE 102 -5.181 -7.837 -5.319 817 1HD1 ILE 102 2HD1 ILE 102 -1.946 -8.796 -6.991 818 2HD1 ILE 102 3HD1 ILE 102 -2.692 -7.521 -5.998 819 3HD1 ILE 102 1HD1 ILE 102 -1.361 -8.502 -5.340 820 H GLY 103 H GLY 103 -4.534 -13.546 -6.147 821 1HA GLY 103 1HA GLY 103 -3.212 -15.207 -7.025 822 2HA GLY 103 2HA GLY 103 -2.788 -14.143 -8.366 823 H ALA 104 H ALA 104 -2.166 -13.060 -5.083 824 HA ALA 104 HA ALA 104 0.611 -12.427 -5.697 825 1HB ALA 104 1HB ALA 104 -1.145 -12.516 -3.186 826 2HB ALA 104 2HB ALA 104 0.428 -11.729 -3.232 827 3HB ALA 104 3HB ALA 104 -0.946 -11.070 -4.183 828 H LEU 105 H LEU 105 -0.847 -14.704 -3.112 829 HA LEU 105 HA LEU 105 1.845 -15.676 -2.755 830 1HB LEU 105 1HB LEU 105 -0.665 -17.020 -1.890 831 2HB LEU 105 2HB LEU 105 0.920 -17.071 -1.230 832 HG LEU 105 HG LEU 105 -0.902 -14.673 -0.963 833 1HD1 LEU 105 3HD1 LEU 105 -1.429 -16.725 0.479 834 2HD1 LEU 105 1HD1 LEU 105 0.133 -16.475 1.258 835 3HD1 LEU 105 2HD1 LEU 105 -1.130 -15.214 1.318 836 1HD2 LEU 105 1HD2 LEU 105 1.896 -15.112 0.154 837 2HD2 LEU 105 2HD2 LEU 105 1.427 -13.926 -1.074 838 3HD2 LEU 105 3HD2 LEU 105 0.812 -13.767 0.578 839 H GLN 106 H GLN 106 2.523 -17.319 -3.723 840 HA GLN 106 HA GLN 106 1.784 -17.147 -6.393 841 1HB GLN 106 2HB GLN 106 4.071 -17.303 -5.642 842 2HB GLN 106 3HB GLN 106 3.876 -19.029 -5.269 843 1HG GLN 106 2HG GLN 106 3.550 -19.561 -7.614 844 2HG GLN 106 3HG GLN 106 3.316 -17.870 -8.035 845 1HE2 GLN 106 2HE2 GLN 106 7.145 -19.309 -7.530 846 2HE2 GLN 106 1HE2 GLN 106 5.786 -20.204 -6.868 No H/Q in entry = 846 Start of MODEL 4 1 1H ALA 2 3H ALA 2 -4.729 10.368 -7.882 2 2H ALA 2 1H ALA 2 -3.367 9.785 -7.229 3 3H ALA 2 2H ALA 2 -4.563 10.380 -6.245 4 HA ALA 2 HA ALA 2 -4.212 12.588 -7.043 5 1HB ALA 2 1HB ALA 2 -2.805 11.719 -5.166 6 2HB ALA 2 2HB ALA 2 -1.586 11.222 -6.350 7 3HB ALA 2 3HB ALA 2 -1.958 12.944 -6.147 8 H GLN 3 H GLN 3 -4.186 13.474 -8.983 9 HA GLN 3 HA GLN 3 -3.759 13.827 -11.195 10 1HB GLN 3 1HB GLN 3 -2.697 15.273 -9.490 11 2HB GLN 3 2HB GLN 3 -1.203 14.336 -9.677 12 1HG GLN 3 1HG GLN 3 -1.890 15.108 -12.311 13 2HG GLN 3 2HG GLN 3 -2.410 16.478 -11.341 14 1HE2 GLN 3 2HE2 GLN 3 1.005 17.206 -10.187 15 2HE2 GLN 3 1HE2 GLN 3 -0.435 16.727 -9.342 16 H GLU 4 H GLU 4 -3.825 11.424 -11.600 17 HA GLU 4 HA GLU 4 -3.243 9.583 -12.589 18 1HB GLU 4 1HB GLU 4 -2.704 11.429 -14.268 19 2HB GLU 4 2HB GLU 4 -1.001 11.017 -14.001 20 1HG GLU 4 1HG GLU 4 -1.393 8.732 -14.731 21 2HG GLU 4 2HG GLU 4 -3.150 8.962 -14.707 22 H PHE 5 H PHE 5 -0.410 11.001 -10.959 23 HA PHE 5 HA PHE 5 1.409 8.951 -11.312 24 1HB PHE 5 1HB PHE 5 1.578 11.346 -10.265 25 2HB PHE 5 2HB PHE 5 1.301 10.551 -8.737 26 HD1 PHE 5 1HD PHE 5 2.946 8.248 -8.534 27 HD2 PHE 5 2HD PHE 5 3.765 11.854 -10.765 28 HE1 PHE 5 1HE PHE 5 5.366 7.797 -8.379 29 HE2 PHE 5 2HE PHE 5 6.199 11.391 -10.601 30 HZ PHE 5 HZ PHE 5 7.009 9.363 -9.404 31 H VAL 6 H VAL 6 -0.573 9.406 -8.340 32 HA VAL 6 HA VAL 6 -0.005 6.756 -7.306 33 HB VAL 6 HB VAL 6 -1.989 8.929 -6.717 34 1HG1 VAL 6 1HG1 VAL 6 -2.252 6.197 -5.445 35 2HG1 VAL 6 2HG1 VAL 6 -3.013 7.677 -4.845 36 3HG1 VAL 6 3HG1 VAL 6 -3.466 7.025 -6.426 37 1HG2 VAL 6 3HG2 VAL 6 0.290 8.991 -5.701 38 2HG2 VAL 6 1HG2 VAL 6 -0.998 8.882 -4.482 39 3HG2 VAL 6 2HG2 VAL 6 -0.053 7.469 -4.884 40 H ASN 7 H ASN 7 -2.279 7.974 -9.695 41 HA ASN 7 HA ASN 7 -4.264 5.910 -9.144 42 1HB ASN 7 1HB ASN 7 -4.171 8.032 -11.317 43 2HB ASN 7 2HB ASN 7 -5.551 7.025 -10.914 44 1HD2 ASN 7 2HD2 ASN 7 -6.015 10.285 -9.208 45 2HD2 ASN 7 1HD2 ASN 7 -5.392 9.943 -10.783 46 H CYS 8 H CYS 8 -1.764 6.471 -11.594 47 HA CYS 8 HA CYS 8 -2.402 4.001 -13.059 48 1HB CYS 8 1HB CYS 8 -1.559 6.200 -14.116 49 2HB CYS 8 2HB CYS 8 0.006 5.853 -13.359 50 HG CYS 8 HG CYS 8 0.210 5.168 -15.827 51 H LYS 9 H LYS 9 -0.385 5.088 -10.342 52 HA LYS 9 HA LYS 9 1.641 3.119 -10.591 53 1HB LYS 9 1HB LYS 9 0.675 4.935 -8.466 54 2HB LYS 9 2HB LYS 9 1.318 3.448 -7.837 55 1HG LYS 9 1HG LYS 9 2.876 5.431 -8.038 56 2HG LYS 9 2HG LYS 9 3.475 3.871 -8.518 57 1HD LYS 9 1HD LYS 9 2.407 5.350 -10.846 58 2HD LYS 9 2HD LYS 9 3.564 6.282 -9.936 59 1HE LYS 9 1HE LYS 9 4.951 5.206 -11.412 60 2HE LYS 9 2HE LYS 9 5.090 4.173 -9.990 61 1HZ LYS 9 1HZ LYS 9 3.333 3.679 -12.318 62 2HZ LYS 9 2HZ LYS 9 4.764 2.971 -12.087 63 3HZ LYS 9 3HZ LYS 9 3.575 2.630 -11.025 64 H ILE 10 H ILE 10 -1.546 2.949 -8.888 65 HA ILE 10 HA ILE 10 -1.049 0.229 -8.069 66 HB ILE 10 HB ILE 10 -3.783 1.464 -8.384 67 1HG1 ILE 10 1HG1 ILE 10 -2.617 1.847 -5.677 68 2HG1 ILE 10 2HG1 ILE 10 -1.897 2.881 -6.880 69 1HG2 ILE 10 2HG2 ILE 10 -2.550 -0.476 -6.363 70 2HG2 ILE 10 3HG2 ILE 10 -4.194 0.149 -6.298 71 3HG2 ILE 10 1HG2 ILE 10 -3.681 -0.881 -7.662 72 1HD1 ILE 10 2HD1 ILE 10 -4.878 2.660 -6.381 73 2HD1 ILE 10 3HD1 ILE 10 -3.808 3.994 -5.878 74 3HD1 ILE 10 1HD1 ILE 10 -4.098 3.695 -7.602 75 H GLN 11 H GLN 11 -1.973 -1.726 -9.000 76 HA GLN 11 HA GLN 11 -3.153 -1.483 -11.704 77 1HB GLN 11 1HB GLN 11 -0.623 -2.930 -10.858 78 2HB GLN 11 2HB GLN 11 -1.626 -3.576 -12.156 79 1HG GLN 11 1HG GLN 11 -1.442 -1.453 -13.400 80 2HG GLN 11 2HG GLN 11 -0.402 -0.799 -12.128 81 1HE2 GLN 11 2HE2 GLN 11 2.196 -1.871 -14.370 82 2HE2 GLN 11 1HE2 GLN 11 1.150 -0.518 -14.057 83 HA PRO 12 HA PRO 12 -5.870 -4.483 -9.802 84 1HB PRO 12 1HB PRO 12 -7.338 -5.327 -11.920 85 2HB PRO 12 2HB PRO 12 -7.364 -3.654 -11.303 86 1HG PRO 12 1HG PRO 12 -5.749 -4.755 -13.627 87 2HG PRO 12 2HG PRO 12 -6.804 -3.301 -13.575 88 1HD PRO 12 1HD PRO 12 -4.082 -3.174 -13.210 89 2HD PRO 12 2HD PRO 12 -5.223 -2.059 -12.398 90 H GLY 13 H GLY 13 -3.541 -5.548 -9.676 91 1HA GLY 13 1HA GLY 13 -3.858 -8.305 -9.363 92 2HA GLY 13 2HA GLY 13 -3.190 -8.092 -10.966 93 H LYS 14 H LYS 14 -2.405 -5.756 -8.458 94 HA LYS 14 HA LYS 14 0.245 -6.897 -7.963 95 1HB LYS 14 1HB LYS 14 -0.197 -4.979 -9.921 96 2HB LYS 14 2HB LYS 14 0.073 -3.958 -8.531 97 1HG LYS 14 1HG LYS 14 2.283 -4.958 -8.204 98 2HG LYS 14 2HG LYS 14 1.941 -6.185 -9.454 99 1HD LYS 14 1HD LYS 14 1.782 -4.426 -11.141 100 2HD LYS 14 2HD LYS 14 2.117 -3.171 -9.932 101 1HE LYS 14 1HE LYS 14 4.335 -3.845 -9.636 102 2HE LYS 14 2HE LYS 14 4.019 -5.498 -10.193 103 1HZ LYS 14 3HZ LYS 14 4.048 -3.124 -11.940 104 2HZ LYS 14 1HZ LYS 14 5.268 -4.218 -11.794 105 3HZ LYS 14 2HZ LYS 14 3.809 -4.706 -12.411 106 H VAL 15 H VAL 15 1.124 -5.976 -5.914 107 HA VAL 15 HA VAL 15 -0.990 -4.813 -4.200 108 HB VAL 15 HB VAL 15 1.619 -6.196 -3.454 109 1HG1 VAL 15 1HG1 VAL 15 -0.739 -5.049 -1.981 110 2HG1 VAL 15 2HG1 VAL 15 0.283 -6.296 -1.218 111 3HG1 VAL 15 3HG1 VAL 15 0.952 -4.728 -1.703 112 1HG2 VAL 15 1HG2 VAL 15 -1.161 -7.374 -3.627 113 2HG2 VAL 15 2HG2 VAL 15 0.319 -7.908 -4.452 114 3HG2 VAL 15 3HG2 VAL 15 0.193 -8.080 -2.719 115 H VAL 16 H VAL 16 -0.788 -2.581 -4.655 116 HA VAL 16 HA VAL 16 2.013 -1.523 -4.677 117 HB VAL 16 HB VAL 16 -0.390 -0.297 -6.021 118 1HG1 VAL 16 1HG1 VAL 16 2.564 0.417 -6.049 119 2HG1 VAL 16 2HG1 VAL 16 1.305 1.196 -7.031 120 3HG1 VAL 16 3HG1 VAL 16 1.275 1.361 -5.272 121 1HG2 VAL 16 1HG2 VAL 16 1.920 -2.005 -7.052 122 2HG2 VAL 16 2HG2 VAL 16 0.183 -2.279 -7.235 123 3HG2 VAL 16 3HG2 VAL 16 0.969 -0.965 -8.122 124 H VAL 17 H VAL 17 2.540 -0.174 -3.121 125 HA VAL 17 HA VAL 17 0.397 0.659 -1.233 126 HB VAL 17 HB VAL 17 3.266 -0.169 -0.610 127 1HG1 VAL 17 1HG1 VAL 17 0.958 0.343 1.316 128 2HG1 VAL 17 2HG1 VAL 17 2.574 -0.242 1.757 129 3HG1 VAL 17 3HG1 VAL 17 2.378 1.375 1.096 130 1HG2 VAL 17 1HG2 VAL 17 0.724 -1.804 -0.323 131 2HG2 VAL 17 2HG2 VAL 17 2.152 -2.172 -1.302 132 3HG2 VAL 17 3HG2 VAL 17 2.281 -2.201 0.450 133 H PHE 18 H PHE 18 0.841 2.760 -0.230 134 HA PHE 18 HA PHE 18 2.989 4.328 -1.607 135 1HB PHE 18 1HB PHE 18 0.257 5.242 -0.561 136 2HB PHE 18 2HB PHE 18 1.454 6.365 -1.183 137 HD1 PHE 18 1HD PHE 18 2.369 6.020 -3.569 138 HD2 PHE 18 2HD PHE 18 -1.169 4.057 -2.070 139 HE1 PHE 18 1HE PHE 18 1.670 5.510 -5.881 140 HE2 PHE 18 2HE PHE 18 -1.890 3.597 -4.388 141 HZ PHE 18 HZ PHE 18 -0.464 4.340 -6.305 142 H ILE 19 H ILE 19 4.558 4.949 -0.182 143 HA ILE 19 HA ILE 19 4.003 5.315 2.706 144 HB ILE 19 HB ILE 19 6.314 4.287 3.120 145 1HG1 ILE 19 1HG1 ILE 19 6.671 2.411 1.120 146 2HG1 ILE 19 2HG1 ILE 19 6.376 3.886 0.219 147 1HG2 ILE 19 3HG2 ILE 19 4.241 3.076 3.624 148 2HG2 ILE 19 1HG2 ILE 19 4.278 2.326 2.026 149 3HG2 ILE 19 2HG2 ILE 19 5.567 1.987 3.193 150 1HD1 ILE 19 1HD1 ILE 19 8.521 3.497 2.297 151 2HD1 ILE 19 2HD1 ILE 19 8.722 3.441 0.538 152 3HD1 ILE 19 3HD1 ILE 19 8.254 4.968 1.312 153 H LYS 20 H LYS 20 6.155 6.322 3.683 154 HA LYS 20 HA LYS 20 7.602 8.023 1.806 155 1HB LYS 20 1HB LYS 20 7.547 9.936 3.374 156 2HB LYS 20 2HB LYS 20 5.952 9.556 2.731 157 1HG LYS 20 1HG LYS 20 5.550 8.279 4.943 158 2HG LYS 20 2HG LYS 20 7.034 9.037 5.538 159 1HD LYS 20 1HD LYS 20 4.619 10.531 4.414 160 2HD LYS 20 2HD LYS 20 4.847 10.199 6.120 161 1HE LYS 20 1HE LYS 20 6.896 11.776 4.488 162 2HE LYS 20 2HE LYS 20 5.479 12.525 5.235 163 1HZ LYS 20 1HZ LYS 20 6.253 11.606 7.381 164 2HZ LYS 20 2HZ LYS 20 7.691 11.205 6.682 165 3HZ LYS 20 3HZ LYS 20 7.188 12.771 6.753 166 HA PRO 21 HA PRO 21 10.773 5.929 3.818 167 1HB PRO 21 1HB PRO 21 12.944 7.637 3.765 168 2HB PRO 21 2HB PRO 21 12.221 6.938 2.292 169 1HG PRO 21 1HG PRO 21 11.721 9.664 3.490 170 2HG PRO 21 2HG PRO 21 12.077 9.231 1.780 171 1HD PRO 21 1HD PRO 21 9.546 9.638 2.619 172 2HD PRO 21 2HD PRO 21 9.937 8.337 1.466 173 H THR 22 H THR 22 9.713 8.807 5.398 174 HA THR 22 HA THR 22 11.493 8.614 7.686 175 HB THR 22 HB THR 22 10.146 10.878 8.017 176 HG1 THR 22 HG1 THR 22 9.862 11.554 5.636 177 1HG2 THR 22 1HG2 THR 22 12.157 10.459 5.749 178 2HG2 THR 22 2HG2 THR 22 11.754 12.020 6.506 179 3HG2 THR 22 3HG2 THR 22 12.530 10.758 7.457 180 H CYS 23 H CSN 23 8.430 7.351 6.905 181 HA CYS 23 HA CSN 23 7.254 7.875 9.553 182 1HB CYS 23 2HB CSN 23 5.887 8.248 7.593 183 2HB CYS 23 3HB CSN 23 6.246 6.642 7.007 184 HA PRO 24 HA PRO 24 8.740 3.763 10.705 185 1HB PRO 24 1HB PRO 24 7.829 3.610 13.244 186 2HB PRO 24 2HB PRO 24 9.157 4.705 12.768 187 1HG PRO 24 1HG PRO 24 6.238 5.396 13.155 188 2HG PRO 24 2HG PRO 24 7.667 6.279 13.765 189 1HD PRO 24 1HD PRO 24 6.320 6.940 11.428 190 2HD PRO 24 2HD PRO 24 8.047 7.278 11.686 191 H TYR 25 H TYR 25 5.385 4.899 10.587 192 HA TYR 25 HA TYR 25 4.243 2.247 11.126 193 1HB TYR 25 1HB TYR 25 2.996 4.814 10.036 194 2HB TYR 25 2HB TYR 25 2.126 3.371 10.469 195 HD1 TYR 25 2HD TYR 25 4.122 6.178 11.771 196 HD2 TYR 25 1HD TYR 25 1.653 2.796 12.843 197 HE1 TYR 25 2HE TYR 25 4.059 6.972 14.101 198 HE2 TYR 25 1HE TYR 25 1.544 3.621 15.168 199 HH TYR 25 HH TYR 25 3.569 6.266 16.314 200 H CYS 26 H CYS 26 5.062 4.387 8.361 201 HA CYS 26 HA CYS 26 4.300 2.624 6.257 202 1HB CYS 26 1HB CYS 26 6.576 4.645 6.522 203 2HB CYS 26 2HB CYS 26 6.252 3.719 5.073 204 HG CYS 26 HG CYS 26 4.426 5.917 6.700 205 H ARG 27 H ARG 27 7.487 2.944 7.951 206 HA ARG 27 HA ARG 27 8.795 0.794 6.761 207 1HB ARG 27 1HB ARG 27 8.940 1.821 9.595 208 2HB ARG 27 2HB ARG 27 9.886 0.429 9.086 209 1HG ARG 27 1HG ARG 27 11.049 1.693 7.396 210 2HG ARG 27 2HG ARG 27 10.017 3.111 7.687 211 1HD ARG 27 1HD ARG 27 10.790 3.192 10.041 212 2HD ARG 27 2HD ARG 27 11.735 1.723 9.816 213 HE ARG 27 HE ARG 27 12.410 4.463 9.013 214 1HH1 ARG 27 2HH2 ARG 27 13.171 1.053 8.156 215 2HH1 ARG 27 1HH2 ARG 27 14.742 1.454 7.600 216 1HH2 ARG 27 2HH1 ARG 27 14.646 4.851 8.649 217 2HH2 ARG 27 1HH1 ARG 27 15.665 3.627 8.023 218 H ARG 28 H ARG 28 6.585 0.658 9.595 219 HA ARG 28 HA ARG 28 6.785 -2.111 10.119 220 1HB ARG 28 1HB ARG 28 5.630 -0.519 11.595 221 2HB ARG 28 2HB ARG 28 4.380 -0.275 10.422 222 1HG ARG 28 1HG ARG 28 3.210 -2.006 11.311 223 2HG ARG 28 2HG ARG 28 4.382 -3.092 10.656 224 1HD ARG 28 1HD ARG 28 4.929 -1.809 13.346 225 2HD ARG 28 2HD ARG 28 3.808 -3.150 13.186 226 HE ARG 28 HE ARG 28 6.647 -3.346 12.191 227 1HH1 ARG 28 2HH2 ARG 28 4.006 -4.675 14.236 228 2HH1 ARG 28 1HH2 ARG 28 4.958 -6.020 14.730 229 1HH2 ARG 28 2HH1 ARG 28 7.777 -5.119 12.756 230 2HH2 ARG 28 1HH1 ARG 28 7.139 -6.361 13.828 231 H ALA 29 H ALA 29 4.233 -0.418 8.294 232 HA ALA 29 HA ALA 29 2.986 -2.763 7.385 233 1HB ALA 29 3HB ALA 29 3.173 -0.109 5.877 234 2HB ALA 29 1HB ALA 29 2.027 -1.417 5.509 235 3HB ALA 29 2HB ALA 29 1.925 -0.582 7.067 236 H GLN 30 H GLN 30 5.794 -1.048 5.779 237 HA GLN 30 HA GLN 30 6.097 -2.676 3.647 238 1HB GLN 30 1HB GLN 30 7.407 -0.550 4.854 239 2HB GLN 30 2HB GLN 30 8.571 -1.847 5.077 240 1HG GLN 30 1HG GLN 30 8.803 -2.225 2.776 241 2HG GLN 30 2HG GLN 30 7.221 -1.490 2.510 242 1HE2 GLN 30 2HE2 GLN 30 10.238 0.871 1.625 243 2HE2 GLN 30 1HE2 GLN 30 10.147 -0.853 1.359 244 H GLU 31 H GLU 31 7.505 -3.204 6.897 245 HA GLU 31 HA GLU 31 8.839 -5.614 5.941 246 1HB GLU 31 1HB GLU 31 9.509 -6.005 8.282 247 2HB GLU 31 2HB GLU 31 9.861 -4.360 7.750 248 1HG GLU 31 1HG GLU 31 7.862 -3.552 8.915 249 2HG GLU 31 2HG GLU 31 7.513 -5.180 9.510 250 H ILE 32 H ILE 32 5.930 -4.915 7.737 251 HA ILE 32 HA ILE 32 5.025 -7.541 8.299 252 HB ILE 32 HB ILE 32 3.791 -4.823 7.879 253 1HG1 ILE 32 1HG1 ILE 32 3.954 -6.847 10.166 254 2HG1 ILE 32 2HG1 ILE 32 4.813 -5.316 10.041 255 1HG2 ILE 32 2HG2 ILE 32 2.124 -7.279 8.197 256 2HG2 ILE 32 3HG2 ILE 32 1.551 -5.597 8.360 257 3HG2 ILE 32 1HG2 ILE 32 2.139 -6.157 6.814 258 1HD1 ILE 32 2HD1 ILE 32 2.490 -4.193 10.108 259 2HD1 ILE 32 3HD1 ILE 32 1.855 -5.777 10.588 260 3HD1 ILE 32 1HD1 ILE 32 3.053 -4.966 11.607 261 H LEU 33 H LEU 33 4.483 -5.470 5.368 262 HA LEU 33 HA LEU 33 2.925 -7.592 4.240 263 1HB LEU 33 1HB LEU 33 3.871 -4.933 3.221 264 2HB LEU 33 2HB LEU 33 3.662 -6.147 1.990 265 HG LEU 33 HG LEU 33 1.447 -5.340 3.927 266 1HD1 LEU 33 2HD1 LEU 33 1.959 -4.551 1.060 267 2HD1 LEU 33 3HD1 LEU 33 0.444 -4.314 1.918 268 3HD1 LEU 33 1HD1 LEU 33 1.922 -3.511 2.495 269 1HD2 LEU 33 3HD2 LEU 33 1.451 -7.149 1.447 270 2HD2 LEU 33 1HD2 LEU 33 1.151 -7.673 3.094 271 3HD2 LEU 33 2HD2 LEU 33 0.003 -6.595 2.299 272 H SER 34 H SER 34 6.277 -6.349 3.728 273 HA SER 34 HA SER 34 7.161 -8.191 1.836 274 1HB SER 34 1HB SER 34 8.288 -6.114 2.763 275 2HB SER 34 2HB SER 34 8.826 -7.097 4.136 276 HG SER 34 HG SER 34 10.371 -6.871 2.464 277 H GLN 35 H GLN 35 6.283 -9.083 5.160 278 HA GLN 35 HA GLN 35 8.084 -11.364 5.299 279 1HB GLN 35 1HB GLN 35 5.511 -10.621 6.735 280 2HB GLN 35 2HB GLN 35 6.285 -12.182 6.976 281 1HG GLN 35 1HG GLN 35 8.332 -11.167 7.762 282 2HG GLN 35 2HG GLN 35 7.698 -9.555 7.489 283 1HE2 GLN 35 2HE2 GLN 35 7.278 -10.325 11.107 284 2HE2 GLN 35 1HE2 GLN 35 8.557 -9.936 9.966 285 H LEU 36 H LEU 36 5.063 -10.824 3.530 286 HA LEU 36 HA LEU 36 4.272 -13.604 3.760 287 1HB LEU 36 1HB LEU 36 3.195 -11.341 2.092 288 2HB LEU 36 2HB LEU 36 2.410 -12.903 2.346 289 HG LEU 36 HG LEU 36 2.903 -10.700 4.404 290 1HD1 LEU 36 2HD1 LEU 36 0.354 -11.846 3.193 291 2HD1 LEU 36 3HD1 LEU 36 0.447 -10.636 4.482 292 3HD1 LEU 36 1HD1 LEU 36 1.067 -10.251 2.866 293 1HD2 LEU 36 1HD2 LEU 36 1.671 -13.452 4.834 294 2HD2 LEU 36 2HD2 LEU 36 3.149 -12.816 5.581 295 3HD2 LEU 36 3HD2 LEU 36 1.589 -12.105 5.985 296 HA PRO 37 HA PRO 37 6.574 -14.755 0.089 297 1HB PRO 37 1HB PRO 37 5.705 -17.299 -0.295 298 2HB PRO 37 2HB PRO 37 6.692 -16.819 1.110 299 1HG PRO 37 1HG PRO 37 3.662 -17.097 1.016 300 2HG PRO 37 2HG PRO 37 4.799 -17.781 2.217 301 1HD PRO 37 1HD PRO 37 3.434 -15.444 2.602 302 2HD PRO 37 2HD PRO 37 5.082 -15.681 3.243 303 H ILE 38 H ILE 38 5.652 -13.144 -1.213 304 HA ILE 38 HA ILE 38 3.040 -13.614 -2.558 305 HB ILE 38 HB ILE 38 4.845 -11.271 -1.790 306 1HG1 ILE 38 1HG1 ILE 38 1.820 -11.688 -1.484 307 2HG1 ILE 38 2HG1 ILE 38 2.984 -12.342 -0.335 308 1HG2 ILE 38 3HG2 ILE 38 2.504 -10.994 -3.767 309 2HG2 ILE 38 1HG2 ILE 38 3.332 -9.649 -2.973 310 3HG2 ILE 38 2HG2 ILE 38 4.217 -10.633 -4.088 311 1HD1 ILE 38 3HD1 ILE 38 3.934 -10.046 0.025 312 2HD1 ILE 38 1HD1 ILE 38 2.592 -9.420 -0.969 313 3HD1 ILE 38 2HD1 ILE 38 2.251 -10.223 0.550 314 H LYS 39 H LYS 39 2.867 -13.523 -4.912 315 HA LYS 39 HA LYS 39 4.766 -14.411 -6.482 316 1HB LYS 39 1HB LYS 39 2.313 -12.923 -6.919 317 2HB LYS 39 2HB LYS 39 3.482 -12.684 -8.204 318 1HG LYS 39 1HG LYS 39 2.990 -15.507 -7.244 319 2HG LYS 39 2HG LYS 39 1.764 -14.722 -8.206 320 1HD LYS 39 1HD LYS 39 4.682 -15.046 -8.997 321 2HD LYS 39 2HD LYS 39 3.365 -16.110 -9.512 322 1HE LYS 39 1HE LYS 39 2.260 -14.210 -10.658 323 2HE LYS 39 2HE LYS 39 3.518 -13.104 -10.116 324 1HZ LYS 39 1HZ LYS 39 3.984 -15.400 -11.906 325 2HZ LYS 39 2HZ LYS 39 3.754 -13.882 -12.400 326 3HZ LYS 39 3HZ LYS 39 5.081 -14.221 -11.488 327 H GLN 40 H GLN 40 6.687 -13.689 -7.341 328 HA GLN 40 HA GLN 40 7.910 -11.456 -6.239 329 1HB GLN 40 1HB GLN 40 8.820 -13.548 -7.734 330 2HB GLN 40 2HB GLN 40 8.907 -12.281 -8.952 331 1HG GLN 40 1HG GLN 40 10.261 -12.384 -6.238 332 2HG GLN 40 2HG GLN 40 11.036 -12.479 -7.819 333 1HE2 GLN 40 2HE2 GLN 40 10.582 -8.854 -6.104 334 2HE2 GLN 40 1HE2 GLN 40 10.310 -10.360 -5.249 335 H GLY 41 H GLY 41 7.837 -9.303 -6.638 336 1HA GLY 41 1HA GLY 41 7.925 -7.386 -7.944 337 2HA GLY 41 2HA GLY 41 7.343 -8.282 -9.348 338 H LEU 42 H LEU 42 5.095 -9.229 -6.936 339 HA LEU 42 HA LEU 42 3.213 -7.274 -7.917 340 1HB LEU 42 1HB LEU 42 2.946 -9.259 -5.649 341 2HB LEU 42 2HB LEU 42 1.706 -8.236 -6.319 342 HG LEU 42 HG LEU 42 2.954 -10.672 -7.513 343 1HD1 LEU 42 1HD1 LEU 42 0.903 -10.727 -6.068 344 2HD1 LEU 42 2HD1 LEU 42 0.082 -9.723 -7.283 345 3HD1 LEU 42 3HD1 LEU 42 0.626 -11.347 -7.716 346 1HD2 LEU 42 1HD2 LEU 42 1.410 -8.617 -9.109 347 2HD2 LEU 42 2HD2 LEU 42 3.078 -9.163 -9.385 348 3HD2 LEU 42 3HD2 LEU 42 1.734 -10.285 -9.623 349 H LEU 43 H LEU 43 5.206 -7.674 -4.899 350 HA LEU 43 HA LEU 43 3.591 -5.565 -3.670 351 1HB LEU 43 1HB LEU 43 4.864 -7.631 -2.488 352 2HB LEU 43 2HB LEU 43 6.106 -6.413 -2.349 353 HG LEU 43 HG LEU 43 5.026 -6.049 -0.382 354 1HD1 LEU 43 3HD1 LEU 43 4.775 -3.886 -1.595 355 2HD1 LEU 43 1HD1 LEU 43 3.111 -4.334 -2.004 356 3HD1 LEU 43 2HD1 LEU 43 3.596 -4.138 -0.320 357 1HD2 LEU 43 1HD2 LEU 43 2.619 -7.210 -1.711 358 2HD2 LEU 43 2HD2 LEU 43 3.414 -7.578 -0.161 359 3HD2 LEU 43 3HD2 LEU 43 2.373 -6.171 -0.293 360 H GLU 44 H GLU 44 3.875 -3.543 -4.380 361 HA GLU 44 HA GLU 44 6.613 -2.567 -5.081 362 1HB GLU 44 1HB GLU 44 4.939 -3.163 -6.913 363 2HB GLU 44 2HB GLU 44 4.056 -1.714 -6.412 364 1HG GLU 44 1HG GLU 44 6.006 -0.337 -6.812 365 2HG GLU 44 2HG GLU 44 7.039 -1.722 -7.042 366 H PHE 45 H PHE 45 7.175 -1.501 -3.225 367 HA PHE 45 HA PHE 45 5.177 0.183 -1.888 368 1HB PHE 45 1HB PHE 45 8.123 0.146 -1.120 369 2HB PHE 45 2HB PHE 45 6.746 0.597 -0.193 370 HD1 PHE 45 1HD PHE 45 4.991 -1.128 0.485 371 HD2 PHE 45 2HD PHE 45 8.919 -2.160 -0.964 372 HE1 PHE 45 1HE PHE 45 4.825 -3.340 1.600 373 HE2 PHE 45 2HE PHE 45 8.733 -4.379 0.127 374 HZ PHE 45 HZ PHE 45 6.692 -4.965 1.425 375 H VAL 46 H VAL 46 4.686 2.132 -2.950 376 HA VAL 46 HA VAL 46 6.725 3.484 -4.553 377 HB VAL 46 HB VAL 46 3.770 4.022 -4.037 378 1HG1 VAL 46 3HG1 VAL 46 5.708 5.254 -6.035 379 2HG1 VAL 46 1HG1 VAL 46 3.945 5.494 -6.027 380 3HG1 VAL 46 2HG1 VAL 46 4.902 6.064 -4.669 381 1HG2 VAL 46 3HG2 VAL 46 4.132 1.892 -5.256 382 2HG2 VAL 46 1HG2 VAL 46 3.381 3.116 -6.269 383 3HG2 VAL 46 2HG2 VAL 46 5.116 2.752 -6.460 384 H ASP 47 H ASP 47 7.832 5.182 -3.746 385 HA ASP 47 HA ASP 47 7.232 6.342 -1.114 386 1HB ASP 47 1HB ASP 47 9.555 5.791 -1.849 387 2HB ASP 47 2HB ASP 47 9.442 7.033 -3.087 388 H ILE 48 H ILE 48 5.710 7.970 -1.057 389 HA ILE 48 HA ILE 48 4.954 9.478 -3.450 390 HB ILE 48 HB ILE 48 3.570 10.823 -1.963 391 1HG1 ILE 48 1HG1 ILE 48 4.601 9.168 0.369 392 2HG1 ILE 48 2HG1 ILE 48 5.116 10.785 0.036 393 1HG2 ILE 48 3HG2 ILE 48 3.428 7.782 -1.609 394 2HG2 ILE 48 1HG2 ILE 48 2.080 8.888 -1.326 395 3HG2 ILE 48 2HG2 ILE 48 2.783 8.710 -2.948 396 1HD1 ILE 48 3HD1 ILE 48 2.772 11.606 0.313 397 2HD1 ILE 48 1HD1 ILE 48 2.262 9.967 0.716 398 3HD1 ILE 48 2HD1 ILE 48 3.416 10.814 1.758 399 H THR 49 H THR 49 7.544 9.766 -1.193 400 HA THR 49 HA THR 49 7.916 12.613 -1.762 401 HB THR 49 HB THR 49 9.602 12.636 -0.201 402 HG1 THR 49 HG1 THR 49 9.605 9.788 -0.219 403 1HG2 THR 49 3HG2 THR 49 7.309 12.324 0.783 404 2HG2 THR 49 1HG2 THR 49 7.650 10.593 0.945 405 3HG2 THR 49 2HG2 THR 49 8.619 11.776 1.834 406 H ALA 50 H ALA 50 8.491 9.684 -3.419 407 HA ALA 50 HA ALA 50 11.025 9.787 -4.421 408 1HB ALA 50 2HB ALA 50 8.487 9.127 -5.976 409 2HB ALA 50 3HB ALA 50 10.138 8.729 -6.484 410 3HB ALA 50 1HB ALA 50 9.482 7.994 -5.029 411 H THR 51 H THR 51 8.274 11.790 -5.543 412 HA THR 51 HA THR 51 10.235 13.513 -6.986 413 HB THR 51 HB THR 51 8.456 14.051 -8.563 414 HG1 THR 51 HG1 THR 51 6.561 13.168 -8.532 415 1HG2 THR 51 2HG2 THR 51 10.013 12.073 -8.949 416 2HG2 THR 51 3HG2 THR 51 8.718 11.010 -8.378 417 3HG2 THR 51 1HG2 THR 51 8.482 11.997 -9.833 418 H ASN 52 H ASN 52 8.954 13.417 -4.173 419 HA ASN 52 HA ASN 52 7.639 14.545 -2.728 420 1HB ASN 52 1HB ASN 52 9.933 15.544 -2.722 421 2HB ASN 52 2HB ASN 52 9.271 16.898 -3.643 422 1HD2 ASN 52 2HD2 ASN 52 7.359 18.160 -0.815 423 2HD2 ASN 52 1HD2 ASN 52 7.331 18.035 -2.558 424 H HIS 53 H HIS 53 5.847 14.076 -4.313 425 HA HIS 53 HA HIS 53 4.250 16.583 -4.511 426 1HB HIS 53 1HB HIS 53 3.973 13.983 -6.054 427 2HB HIS 53 2HB HIS 53 2.654 15.139 -5.873 428 HD1 HIS 53 1HD HIS 53 2.492 17.016 -7.594 429 HD2 HIS 53 2HD HIS 53 6.299 15.219 -7.299 430 HE1 HIS 53 1HE HIS 53 3.930 18.013 -9.451 431 H THR 54 H THR 54 5.131 14.847 -2.209 432 HA THR 54 HA THR 54 3.297 13.010 -1.303 433 HB THR 54 HB THR 54 4.889 12.852 0.068 434 HG1 THR 54 HG1 THR 54 4.028 15.025 1.586 435 1HG2 THR 54 1HG2 THR 54 6.429 14.335 -0.904 436 2HG2 THR 54 2HG2 THR 54 5.727 15.704 0.008 437 3HG2 THR 54 3HG2 THR 54 6.530 14.393 0.861 438 H ASN 55 H ASN 55 3.431 16.323 -0.388 439 HA ASN 55 HA ASN 55 1.150 16.679 1.063 440 1HB ASN 55 1HB ASN 55 2.800 18.479 0.595 441 2HB ASN 55 2HB ASN 55 2.088 18.696 -1.014 442 1HD2 ASN 55 2HD2 ASN 55 -0.479 20.796 0.281 443 2HD2 ASN 55 1HD2 ASN 55 0.394 20.253 -1.122 444 H GLU 56 H GLU 56 1.132 16.834 -2.584 445 HA GLU 56 HA GLU 56 -1.719 17.310 -2.652 446 1HB GLU 56 1HB GLU 56 -1.511 17.786 -4.743 447 2HB GLU 56 2HB GLU 56 0.215 17.875 -4.411 448 1HG GLU 56 1HG GLU 56 0.444 15.581 -5.095 449 2HG GLU 56 2HG GLU 56 -1.283 15.425 -5.400 450 H ILE 57 H ILE 57 0.413 14.525 -2.912 451 HA ILE 57 HA ILE 57 -1.558 12.689 -3.780 452 HB ILE 57 HB ILE 57 1.195 12.497 -2.501 453 1HG1 ILE 57 1HG1 ILE 57 0.169 11.251 -5.078 454 2HG1 ILE 57 2HG1 ILE 57 0.662 12.944 -5.016 455 1HG2 ILE 57 1HG2 ILE 57 -0.822 10.260 -2.779 456 2HG2 ILE 57 2HG2 ILE 57 0.889 9.924 -2.979 457 3HG2 ILE 57 3HG2 ILE 57 0.306 10.607 -1.454 458 1HD1 ILE 57 1HD1 ILE 57 2.927 12.242 -4.225 459 2HD1 ILE 57 2HD1 ILE 57 2.450 10.549 -4.450 460 3HD1 ILE 57 3HD1 ILE 57 2.507 11.640 -5.838 461 H GLN 58 H GLN 58 -0.466 13.682 -0.626 462 HA GLN 58 HA GLN 58 -1.779 11.939 1.141 463 1HB GLN 58 1HB GLN 58 -0.585 14.728 1.155 464 2HB GLN 58 2HB GLN 58 -1.608 14.287 2.496 465 1HG GLN 58 1HG GLN 58 0.801 12.631 1.660 466 2HG GLN 58 2HG GLN 58 0.869 13.937 2.844 467 1HE2 GLN 58 2HE2 GLN 58 -0.886 10.411 3.851 468 2HE2 GLN 58 1HE2 GLN 58 0.162 10.576 2.451 469 H ASP 59 H ASP 59 -2.756 15.140 -0.116 470 HA ASP 59 HA ASP 59 -5.262 15.468 1.153 471 1HB ASP 59 1HB ASP 59 -3.924 17.170 -0.135 472 2HB ASP 59 2HB ASP 59 -4.322 16.394 -1.615 473 H TYR 60 H TYR 60 -4.582 14.631 -2.125 474 HA TYR 60 HA TYR 60 -7.130 13.753 -2.977 475 1HB TYR 60 1HB TYR 60 -5.061 14.138 -4.392 476 2HB TYR 60 2HB TYR 60 -4.434 12.599 -3.839 477 HD1 TYR 60 1HD TYR 60 -6.007 10.450 -4.349 478 HD2 TYR 60 2HD TYR 60 -6.283 14.266 -6.375 479 HE1 TYR 60 1HE TYR 60 -7.166 9.379 -6.296 480 HE2 TYR 60 2HE TYR 60 -7.346 13.142 -8.303 481 HH TYR 60 HH TYR 60 -8.586 9.966 -8.213 482 H LEU 61 H LEU 61 -4.617 11.792 -1.330 483 HA LEU 61 HA LEU 61 -5.957 9.282 -1.554 484 1HB LEU 61 1HB LEU 61 -3.727 10.380 0.134 485 2HB LEU 61 2HB LEU 61 -4.478 8.913 0.664 486 HG LEU 61 HG LEU 61 -3.327 9.222 -2.130 487 1HD1 LEU 61 2HD1 LEU 61 -1.562 9.487 -0.384 488 2HD1 LEU 61 3HD1 LEU 61 -2.077 7.969 0.374 489 3HD1 LEU 61 1HD1 LEU 61 -1.381 7.957 -1.263 490 1HD2 LEU 61 2HD2 LEU 61 -5.030 7.377 -1.746 491 2HD2 LEU 61 3HD2 LEU 61 -3.404 6.781 -2.140 492 3HD2 LEU 61 1HD2 LEU 61 -3.993 6.770 -0.461 493 H GLN 62 H GLN 62 -6.462 11.977 0.694 494 HA GLN 62 HA GLN 62 -7.909 10.483 2.673 495 1HB GLN 62 1HB GLN 62 -6.928 12.819 2.896 496 2HB GLN 62 2HB GLN 62 -8.232 13.398 1.876 497 1HG GLN 62 1HG GLN 62 -9.304 11.808 4.098 498 2HG GLN 62 2HG GLN 62 -8.236 13.079 4.684 499 1HE2 GLN 62 2HE2 GLN 62 -11.945 14.102 3.401 500 2HE2 GLN 62 1HE2 GLN 62 -11.467 12.472 3.751 501 H GLN 63 H GLN 63 -8.841 12.174 -0.270 502 HA GLN 63 HA GLN 63 -11.638 11.508 0.009 503 1HB GLN 63 1HB GLN 63 -10.315 13.427 -1.307 504 2HB GLN 63 2HB GLN 63 -10.332 12.275 -2.615 505 1HG GLN 63 1HG GLN 63 -12.756 12.163 -2.608 506 2HG GLN 63 2HG GLN 63 -12.856 13.051 -1.085 507 1HE2 GLN 63 2HE2 GLN 63 -13.195 16.153 -2.696 508 2HE2 GLN 63 1HE2 GLN 63 -13.338 15.202 -1.249 509 H LEU 64 H LEU 64 -8.974 10.290 -1.960 510 HA LEU 64 HA LEU 64 -10.427 8.438 -3.528 511 1HB LEU 64 1HB LEU 64 -8.412 9.161 -4.402 512 2HB LEU 64 2HB LEU 64 -7.548 8.886 -2.902 513 HG LEU 64 HG LEU 64 -7.668 6.398 -3.319 514 1HD1 LEU 64 1HD1 LEU 64 -9.451 6.432 -5.085 515 2HD1 LEU 64 2HD1 LEU 64 -8.369 7.328 -6.158 516 3HD1 LEU 64 3HD1 LEU 64 -7.972 5.671 -5.659 517 1HD2 LEU 64 3HD2 LEU 64 -5.656 7.955 -3.810 518 2HD2 LEU 64 1HD2 LEU 64 -5.706 6.357 -4.565 519 3HD2 LEU 64 2HD2 LEU 64 -6.101 7.768 -5.519 520 H THR 65 H THR 65 -9.111 7.897 -0.210 521 HA THR 65 HA THR 65 -10.620 5.349 -0.403 522 HB THR 65 HB THR 65 -9.126 4.040 0.682 523 HG1 THR 65 HG1 THR 65 -8.444 4.990 2.400 524 1HG2 THR 65 3HG2 THR 65 -8.229 4.584 -1.549 525 2HG2 THR 65 1HG2 THR 65 -7.270 5.918 -0.848 526 3HG2 THR 65 2HG2 THR 65 -6.932 4.251 -0.387 527 H GLY 66 H GLY 66 -9.171 7.299 2.267 528 1HA GLY 66 1HA GLY 66 -11.771 8.023 3.324 529 2HA GLY 66 2HA GLY 66 -11.168 6.549 4.072 530 H ALA 67 H ALA 67 -8.230 7.738 3.824 531 HA ALA 67 HA ALA 67 -8.462 9.961 5.749 532 1HB ALA 67 3HB ALA 67 -8.300 7.875 7.100 533 2HB ALA 67 1HB ALA 67 -6.810 7.435 6.236 534 3HB ALA 67 2HB ALA 67 -6.854 8.886 7.266 535 H ARG 68 H ARG 68 -6.483 11.189 5.908 536 HA ARG 68 HA ARG 68 -4.859 11.214 3.464 537 1HB ARG 68 1HB ARG 68 -3.766 13.100 4.381 538 2HB ARG 68 2HB ARG 68 -5.470 13.256 4.778 539 1HG ARG 68 1HG ARG 68 -4.682 12.094 7.078 540 2HG ARG 68 2HG ARG 68 -3.107 12.717 6.591 541 1HD ARG 68 1HD ARG 68 -5.681 14.344 6.886 542 2HD ARG 68 2HD ARG 68 -4.376 14.268 8.084 543 HE ARG 68 HE ARG 68 -3.005 15.088 5.921 544 1HH1 ARG 68 2HH2 ARG 68 -6.130 16.427 7.139 545 2HH1 ARG 68 1HH2 ARG 68 -5.692 18.028 6.721 546 1HH2 ARG 68 2HH1 ARG 68 -2.553 17.081 5.350 547 2HH2 ARG 68 1HH1 ARG 68 -3.637 18.441 5.616 548 H THR 69 H THR 69 -4.644 9.752 6.705 549 HA THR 69 HA THR 69 -1.903 9.768 6.998 550 HB THR 69 HB THR 69 -2.409 7.880 8.622 551 HG1 THR 69 HG1 THR 69 -4.215 7.007 7.498 552 1HG2 THR 69 3HG2 THR 69 -2.604 10.304 9.254 553 2HG2 THR 69 1HG2 THR 69 -4.319 10.260 8.804 554 3HG2 THR 69 2HG2 THR 69 -3.725 9.262 10.142 555 H VAL 70 H VAL 70 -0.230 8.494 6.415 556 HA VAL 70 HA VAL 70 -0.648 6.254 4.536 557 HB VAL 70 HB VAL 70 2.031 6.582 4.538 558 1HG1 VAL 70 2HG1 VAL 70 -0.105 8.068 2.999 559 2HG1 VAL 70 3HG1 VAL 70 1.614 8.301 2.679 560 3HG1 VAL 70 1HG1 VAL 70 0.896 6.683 2.526 561 1HG2 VAL 70 2HG2 VAL 70 1.987 8.423 6.286 562 2HG2 VAL 70 3HG2 VAL 70 2.743 8.878 4.752 563 3HG2 VAL 70 1HG2 VAL 70 1.116 9.448 5.122 564 HA PRO 71 HA PRO 71 1.528 4.453 4.167 565 1HB PRO 71 1HB PRO 71 1.071 1.732 4.461 566 2HB PRO 71 2HB PRO 71 2.562 2.561 4.949 567 1HG PRO 71 1HG PRO 71 0.195 1.790 6.664 568 2HG PRO 71 2HG PRO 71 1.941 1.631 7.035 569 1HD PRO 71 1HD PRO 71 0.455 3.659 8.025 570 2HD PRO 71 2HD PRO 71 2.160 3.895 7.552 571 H ARG 72 H ARG 72 0.343 3.216 2.396 572 HA ARG 72 HA ARG 72 -2.498 2.713 3.000 573 1HB ARG 72 1HB ARG 72 -2.086 5.134 2.003 574 2HB ARG 72 2HB ARG 72 -1.799 4.292 0.493 575 1HG ARG 72 1HG ARG 72 -4.119 4.845 0.521 576 2HG ARG 72 2HG ARG 72 -4.009 3.116 0.772 577 1HD ARG 72 1HD ARG 72 -5.712 4.200 2.258 578 2HD ARG 72 2HD ARG 72 -4.446 3.427 3.201 579 HE ARG 72 HE ARG 72 -3.657 5.459 3.923 580 1HH1 ARG 72 2HH2 ARG 72 -6.304 6.078 1.643 581 2HH1 ARG 72 1HH2 ARG 72 -6.039 7.762 1.555 582 1HH2 ARG 72 2HH1 ARG 72 -3.261 7.653 3.765 583 2HH2 ARG 72 1HH1 ARG 72 -4.281 8.689 2.829 584 H VAL 73 H VAL 73 -2.691 0.597 2.505 585 HA VAL 73 HA VAL 73 -1.050 -0.521 0.303 586 HB VAL 73 HB VAL 73 -2.761 -1.715 2.510 587 1HG1 VAL 73 1HG1 VAL 73 -1.388 -3.210 0.209 588 2HG1 VAL 73 2HG1 VAL 73 -2.082 -3.982 1.647 589 3HG1 VAL 73 3HG1 VAL 73 -3.126 -3.144 0.522 590 1HG2 VAL 73 3HG2 VAL 73 0.215 -1.765 1.949 591 2HG2 VAL 73 1HG2 VAL 73 -0.628 -1.005 3.321 592 3HG2 VAL 73 2HG2 VAL 73 -0.584 -2.752 3.148 593 H PHE 74 H PHE 74 -1.932 -0.936 -1.706 594 HA PHE 74 HA PHE 74 -4.839 -1.312 -1.847 595 1HB PHE 74 1HB PHE 74 -2.936 -0.279 -3.980 596 2HB PHE 74 2HB PHE 74 -4.567 -0.835 -4.261 597 HD1 PHE 74 2HD PHE 74 -2.659 1.738 -2.268 598 HD2 PHE 74 1HD PHE 74 -6.335 0.729 -4.298 599 HE1 PHE 74 2HE PHE 74 -3.509 4.044 -1.914 600 HE2 PHE 74 1HE PHE 74 -7.160 3.025 -3.949 601 HZ PHE 74 HZ PHE 74 -5.751 4.693 -2.759 602 H ILE 75 H ILE 75 -5.443 -3.198 -2.758 603 HA ILE 75 HA ILE 75 -3.402 -5.146 -3.663 604 HB ILE 75 HB ILE 75 -5.176 -5.283 -1.308 605 1HG1 ILE 75 1HG1 ILE 75 -3.766 -7.491 -1.044 606 2HG1 ILE 75 2HG1 ILE 75 -2.784 -6.776 -2.332 607 1HG2 ILE 75 2HG2 ILE 75 -5.280 -7.560 -3.330 608 2HG2 ILE 75 3HG2 ILE 75 -5.888 -7.657 -1.692 609 3HG2 ILE 75 1HG2 ILE 75 -6.671 -6.572 -2.811 610 1HD1 ILE 75 1HD1 ILE 75 -2.474 -4.832 -0.853 611 2HD1 ILE 75 2HD1 ILE 75 -3.283 -5.749 0.457 612 3HD1 ILE 75 3HD1 ILE 75 -1.776 -6.338 -0.248 613 H GLY 76 H GLY 76 -3.778 -5.257 -5.813 614 1HA GLY 76 1HA GLY 76 -4.886 -5.419 -7.817 615 2HA GLY 76 2HA GLY 76 -6.209 -6.185 -6.920 616 H LYS 77 H LYS 77 -4.832 -2.941 -7.253 617 HA LYS 77 HA LYS 77 -5.744 -0.910 -7.087 618 1HB LYS 77 1HB LYS 77 -6.341 -1.980 -9.579 619 2HB LYS 77 2HB LYS 77 -7.867 -1.273 -9.083 620 1HG LYS 77 1HG LYS 77 -6.139 0.752 -8.347 621 2HG LYS 77 2HG LYS 77 -5.195 -0.017 -9.619 622 1HD LYS 77 1HD LYS 77 -6.325 1.721 -10.648 623 2HD LYS 77 2HD LYS 77 -7.259 0.299 -11.126 624 1HE LYS 77 1HE LYS 77 -8.922 0.801 -9.327 625 2HE LYS 77 2HE LYS 77 -7.919 2.144 -8.770 626 1HZ LYS 77 1HZ LYS 77 -8.266 3.122 -11.037 627 2HZ LYS 77 2HZ LYS 77 -9.419 1.962 -11.284 628 3HZ LYS 77 3HZ LYS 77 -9.617 3.050 -10.071 629 H ASP 78 H ASP 78 -7.040 -2.691 -5.046 630 HA ASP 78 HA ASP 78 -9.052 -0.589 -4.487 631 1HB ASP 78 1HB ASP 78 -10.205 -2.698 -5.024 632 2HB ASP 78 2HB ASP 78 -9.284 -3.534 -3.763 633 H CYS 79 H CYS 79 -8.853 0.295 -2.442 634 HA CYS 79 HA CYS 79 -6.344 -0.210 -1.039 635 1HB CYS 79 1HB CYS 79 -7.428 2.064 -1.293 636 2HB CYS 79 2HB CYS 79 -8.658 1.545 -0.129 637 HG CYS 79 HG CYS 79 -5.413 1.201 0.379 638 H ILE 80 H ILE 80 -6.130 -1.231 1.156 639 HA ILE 80 HA ILE 80 -8.562 -2.621 2.048 640 HB ILE 80 HB ILE 80 -7.092 -4.097 3.088 641 1HG1 ILE 80 1HG1 ILE 80 -4.611 -4.058 2.771 642 2HG1 ILE 80 2HG1 ILE 80 -4.760 -2.396 2.190 643 1HG2 ILE 80 1HG2 ILE 80 -7.523 -4.401 0.655 644 2HG2 ILE 80 2HG2 ILE 80 -5.983 -3.603 0.296 645 3HG2 ILE 80 3HG2 ILE 80 -5.985 -5.123 1.190 646 1HD1 ILE 80 3HD1 ILE 80 -5.932 -3.022 4.883 647 2HD1 ILE 80 1HD1 ILE 80 -4.181 -3.035 4.745 648 3HD1 ILE 80 2HD1 ILE 80 -5.059 -1.577 4.331 649 H GLY 81 H GLY 81 -6.704 0.187 2.675 650 1HA GLY 81 1HA GLY 81 -7.544 1.558 4.611 651 2HA GLY 81 2HA GLY 81 -7.200 0.117 5.593 652 H GLY 82 H GLY 82 -5.678 1.560 6.718 653 1HA GLY 82 1HA GLY 82 -3.234 2.295 5.169 654 2HA GLY 82 2HA GLY 82 -3.800 3.107 6.633 655 H CYS 83 H CYS 83 -3.317 2.168 8.666 656 HA CYS 83 HA CYS 83 -1.278 0.010 8.516 657 1HB CYS 83 1HB CYS 83 -1.039 2.560 9.609 658 2HB CYS 83 2HB CYS 83 -1.313 1.517 11.020 659 HG CYS 83 HG CYS 83 1.200 1.860 10.745 660 H SER 84 H SER 84 -3.884 1.121 10.894 661 HA SER 84 HA SER 84 -3.719 -1.208 12.400 662 1HB SER 84 1HB SER 84 -6.282 0.348 11.901 663 2HB SER 84 2HB SER 84 -5.895 -0.640 13.312 664 HG SER 84 HG SER 84 -4.213 0.812 13.795 665 H ASP 85 H ASP 85 -5.689 -0.646 9.476 666 HA ASP 85 HA ASP 85 -7.090 -3.180 9.588 667 1HB ASP 85 1HB ASP 85 -6.948 -0.868 7.792 668 2HB ASP 85 2HB ASP 85 -6.863 -2.334 6.857 669 H LEU 86 H LEU 86 -4.075 -2.077 8.067 670 HA LEU 86 HA LEU 86 -3.550 -4.509 6.659 671 1HB LEU 86 1HB LEU 86 -2.674 -2.189 6.206 672 2HB LEU 86 2HB LEU 86 -1.599 -2.359 7.575 673 HG LEU 86 HG LEU 86 -0.625 -2.672 5.321 674 1HD1 LEU 86 2HD1 LEU 86 0.408 -3.595 7.397 675 2HD1 LEU 86 3HD1 LEU 86 -0.244 -5.183 6.927 676 3HD1 LEU 86 1HD1 LEU 86 0.909 -4.333 5.881 677 1HD2 LEU 86 2HD2 LEU 86 -2.376 -3.965 4.161 678 2HD2 LEU 86 3HD2 LEU 86 -0.857 -4.850 4.149 679 3HD2 LEU 86 1HD2 LEU 86 -2.122 -5.332 5.274 680 H VAL 87 H VAL 87 -2.738 -3.345 9.989 681 HA VAL 87 HA VAL 87 -1.135 -5.555 10.670 682 HB VAL 87 HB VAL 87 -2.614 -3.323 12.101 683 1HG1 VAL 87 2HG1 VAL 87 -1.051 -5.551 13.423 684 2HG1 VAL 87 3HG1 VAL 87 -1.547 -4.017 14.198 685 3HG1 VAL 87 1HG1 VAL 87 -2.779 -5.163 13.653 686 1HG2 VAL 87 1HG2 VAL 87 -0.499 -2.844 10.895 687 2HG2 VAL 87 2HG2 VAL 87 -0.301 -2.626 12.628 688 3HG2 VAL 87 3HG2 VAL 87 0.335 -4.084 11.851 689 H SER 88 H SER 88 -4.822 -4.991 11.081 690 HA SER 88 HA SER 88 -5.001 -7.575 12.347 691 1HB SER 88 1HB SER 88 -7.365 -7.605 11.477 692 2HB SER 88 2HB SER 88 -6.945 -6.391 12.688 693 HG SER 88 HG SER 88 -8.112 -5.334 11.119 694 H LEU 89 H LEU 89 -5.186 -6.542 8.939 695 HA LEU 89 HA LEU 89 -5.819 -9.093 7.915 696 1HB LEU 89 1HB LEU 89 -4.112 -6.894 6.743 697 2HB LEU 89 2HB LEU 89 -4.533 -8.328 5.870 698 HG LEU 89 HG LEU 89 -6.855 -6.809 6.965 699 1HD1 LEU 89 1HD1 LEU 89 -5.335 -5.956 4.450 700 2HD1 LEU 89 2HD1 LEU 89 -6.916 -5.342 5.017 701 3HD1 LEU 89 3HD1 LEU 89 -5.470 -5.031 5.954 702 1HD2 LEU 89 2HD2 LEU 89 -7.088 -8.937 5.584 703 2HD2 LEU 89 3HD2 LEU 89 -7.911 -7.548 4.899 704 3HD2 LEU 89 1HD2 LEU 89 -6.345 -8.098 4.238 705 H GLN 90 H GLN 90 -2.531 -7.772 8.878 706 HA GLN 90 HA GLN 90 -1.292 -10.277 8.141 707 1HB GLN 90 1HB GLN 90 -0.073 -8.121 8.274 708 2HB GLN 90 2HB GLN 90 -0.269 -8.115 10.015 709 1HG GLN 90 1HG GLN 90 0.838 -10.705 9.208 710 2HG GLN 90 2HG GLN 90 1.752 -9.450 8.424 711 1HE2 GLN 90 2HE2 GLN 90 3.716 -9.277 11.387 712 2HE2 GLN 90 1HE2 GLN 90 3.696 -9.693 9.689 713 H GLN 91 H GLN 91 -2.209 -8.965 11.466 714 HA GLN 91 HA GLN 91 -1.308 -11.155 12.887 715 1HB GLN 91 1HB GLN 91 -2.470 -8.608 13.302 716 2HB GLN 91 2HB GLN 91 -3.570 -9.702 14.087 717 1HG GLN 91 1HG GLN 91 -0.548 -9.817 14.470 718 2HG GLN 91 2HG GLN 91 -1.566 -8.665 15.290 719 1HE2 GLN 91 2HE2 GLN 91 -1.119 -11.686 17.534 720 2HE2 GLN 91 1HE2 GLN 91 -0.014 -10.571 16.746 721 H SER 92 H SER 92 -4.668 -10.435 11.824 722 HA SER 92 HA SER 92 -5.733 -12.965 12.769 723 1HB SER 92 1HB SER 92 -6.878 -10.643 12.473 724 2HB SER 92 2HB SER 92 -6.971 -11.061 10.754 725 HG SER 92 HG SER 92 -8.423 -12.574 11.173 726 H GLY 93 H GLY 93 -3.644 -12.177 10.195 727 1HA GLY 93 1HA GLY 93 -2.929 -13.330 8.405 728 2HA GLY 93 2HA GLY 93 -3.935 -14.694 8.912 729 H GLU 94 H GLU 94 -5.847 -11.727 8.456 730 HA GLU 94 HA GLU 94 -7.163 -13.042 6.269 731 1HB GLU 94 1HB GLU 94 -8.131 -11.489 8.071 732 2HB GLU 94 2HB GLU 94 -7.489 -10.161 7.176 733 1HG GLU 94 1HG GLU 94 -9.783 -10.438 6.500 734 2HG GLU 94 2HG GLU 94 -8.818 -11.000 5.140 735 H LEU 95 H LEU 95 -4.452 -10.847 6.445 736 HA LEU 95 HA LEU 95 -4.417 -9.635 3.947 737 1HB LEU 95 1HB LEU 95 -2.763 -9.561 6.006 738 2HB LEU 95 2HB LEU 95 -1.881 -10.771 5.153 739 HG LEU 95 HG LEU 95 -1.222 -9.231 3.485 740 1HD1 LEU 95 1HD1 LEU 95 -3.383 -8.133 2.908 741 2HD1 LEU 95 2HD1 LEU 95 -3.294 -7.200 4.416 742 3HD1 LEU 95 3HD1 LEU 95 -2.092 -6.970 3.149 743 1HD2 LEU 95 3HD2 LEU 95 -0.190 -8.823 5.708 744 2HD2 LEU 95 1HD2 LEU 95 -0.314 -7.318 4.794 745 3HD2 LEU 95 2HD2 LEU 95 -1.460 -7.651 6.090 746 H LEU 96 H LEU 96 -3.586 -13.017 4.768 747 HA LEU 96 HA LEU 96 -2.296 -13.537 2.247 748 1HB LEU 96 1HB LEU 96 -3.589 -15.391 4.310 749 2HB LEU 96 2HB LEU 96 -2.836 -15.977 2.845 750 HG LEU 96 HG LEU 96 -1.336 -16.263 4.676 751 1HD1 LEU 96 2HD1 LEU 96 -0.326 -15.761 2.506 752 2HD1 LEU 96 3HD1 LEU 96 -0.300 -14.024 2.883 753 3HD1 LEU 96 1HD1 LEU 96 0.670 -15.164 3.818 754 1HD2 LEU 96 1HD2 LEU 96 -2.153 -14.401 6.135 755 2HD2 LEU 96 2HD2 LEU 96 -0.399 -14.540 6.033 756 3HD2 LEU 96 3HD2 LEU 96 -1.217 -13.259 5.134 757 H THR 97 H THR 97 -5.672 -14.115 3.373 758 HA THR 97 HA THR 97 -6.617 -15.120 0.885 759 HB THR 97 HB THR 97 -8.069 -13.674 3.161 760 HG1 THR 97 HG1 THR 97 -8.352 -16.153 3.543 761 1HG2 THR 97 3HG2 THR 97 -9.038 -15.726 1.125 762 2HG2 THR 97 1HG2 THR 97 -9.989 -15.086 2.490 763 3HG2 THR 97 2HG2 THR 97 -9.497 -14.010 1.181 764 H ARG 98 H ARG 98 -6.602 -11.839 2.311 765 HA ARG 98 HA ARG 98 -7.812 -10.306 0.305 766 1HB ARG 98 1HB ARG 98 -7.242 -9.474 2.470 767 2HB ARG 98 2HB ARG 98 -5.533 -9.732 2.165 768 1HG ARG 98 1HG ARG 98 -5.936 -7.426 1.957 769 2HG ARG 98 2HG ARG 98 -5.562 -8.092 0.372 770 1HD ARG 98 1HD ARG 98 -7.323 -6.561 -0.006 771 2HD ARG 98 2HD ARG 98 -8.056 -8.133 -0.080 772 HE ARG 98 HE ARG 98 -8.065 -6.556 2.479 773 1HH1 ARG 98 2HH2 ARG 98 -10.051 -8.016 -0.123 774 2HH1 ARG 98 1HH2 ARG 98 -11.519 -7.478 0.616 775 1HH2 ARG 98 2HH1 ARG 98 -10.105 -5.801 3.342 776 2HH2 ARG 98 1HH1 ARG 98 -11.545 -6.252 2.495 777 H LEU 99 H LEU 99 -4.255 -11.133 0.477 778 HA LEU 99 HA LEU 99 -3.799 -10.099 -2.154 779 1HB LEU 99 1HB LEU 99 -2.248 -11.768 -0.114 780 2HB LEU 99 2HB LEU 99 -1.664 -11.574 -1.752 781 HG LEU 99 HG LEU 99 -2.047 -9.040 -1.425 782 1HD1 LEU 99 1HD1 LEU 99 -1.686 -9.889 1.448 783 2HD1 LEU 99 2HD1 LEU 99 -1.546 -8.235 0.863 784 3HD1 LEU 99 3HD1 LEU 99 -3.114 -9.056 0.782 785 1HD2 LEU 99 3HD2 LEU 99 0.152 -10.601 -0.041 786 2HD2 LEU 99 1HD2 LEU 99 0.133 -10.122 -1.753 787 3HD2 LEU 99 2HD2 LEU 99 0.280 -8.882 -0.489 788 H LYS 100 H LYS 100 -4.574 -13.445 -1.044 789 HA LYS 100 HA LYS 100 -3.893 -14.661 -3.546 790 1HB LYS 100 1HB LYS 100 -5.858 -15.325 -1.348 791 2HB LYS 100 2HB LYS 100 -5.859 -16.244 -2.848 792 1HG LYS 100 1HG LYS 100 -3.337 -16.576 -2.552 793 2HG LYS 100 2HG LYS 100 -3.525 -15.922 -0.925 794 1HD LYS 100 1HD LYS 100 -4.901 -18.376 -2.113 795 2HD LYS 100 2HD LYS 100 -3.643 -18.401 -0.873 796 1HE LYS 100 1HE LYS 100 -5.178 -17.213 0.696 797 2HE LYS 100 2HE LYS 100 -6.434 -17.193 -0.559 798 1HZ LYS 100 2HZ LYS 100 -6.356 -19.625 -0.551 799 2HZ LYS 100 3HZ LYS 100 -5.327 -19.597 0.728 800 3HZ LYS 100 1HZ LYS 100 -6.847 -18.994 0.893 801 H GLN 101 H GLN 101 -6.761 -12.817 -2.582 802 HA GLN 101 HA GLN 101 -8.401 -13.300 -4.750 803 1HB GLN 101 1HB GLN 101 -8.608 -11.743 -2.598 804 2HB GLN 101 2HB GLN 101 -8.036 -10.491 -3.696 805 1HG GLN 101 1HG GLN 101 -10.353 -10.316 -3.777 806 2HG GLN 101 2HG GLN 101 -9.982 -11.192 -5.257 807 1HE2 GLN 101 2HE2 GLN 101 -12.926 -12.743 -3.411 808 2HE2 GLN 101 1HE2 GLN 101 -12.535 -11.164 -4.041 809 H ILE 102 H ILE 102 -5.273 -11.636 -4.896 810 HA ILE 102 HA ILE 102 -5.916 -10.772 -7.680 811 HB ILE 102 HB ILE 102 -4.529 -8.923 -7.424 812 1HG1 ILE 102 1HG1 ILE 102 -3.745 -9.001 -4.594 813 2HG1 ILE 102 2HG1 ILE 102 -3.187 -10.424 -5.411 814 1HG2 ILE 102 3HG2 ILE 102 -6.763 -8.744 -6.385 815 2HG2 ILE 102 1HG2 ILE 102 -6.071 -9.197 -4.806 816 3HG2 ILE 102 2HG2 ILE 102 -5.549 -7.709 -5.585 817 1HD1 ILE 102 1HD1 ILE 102 -2.138 -9.051 -7.181 818 2HD1 ILE 102 2HD1 ILE 102 -2.652 -7.589 -6.298 819 3HD1 ILE 102 3HD1 ILE 102 -1.485 -8.724 -5.575 820 H GLY 103 H GLY 103 -4.639 -13.390 -6.443 821 1HA GLY 103 1HA GLY 103 -3.330 -14.957 -7.500 822 2HA GLY 103 2HA GLY 103 -2.973 -13.782 -8.765 823 H ALA 104 H ALA 104 -2.287 -13.790 -5.251 824 HA ALA 104 HA ALA 104 0.498 -12.862 -5.760 825 1HB ALA 104 3HB ALA 104 -1.245 -13.189 -3.239 826 2HB ALA 104 1HB ALA 104 0.356 -12.433 -3.278 827 3HB ALA 104 2HB ALA 104 -1.019 -11.669 -4.122 828 H LEU 105 H LEU 105 -0.834 -15.337 -3.315 829 HA LEU 105 HA LEU 105 1.841 -15.841 -2.840 830 1HB LEU 105 1HB LEU 105 -0.235 -17.897 -2.249 831 2HB LEU 105 2HB LEU 105 1.168 -17.422 -1.350 832 HG LEU 105 HG LEU 105 -1.333 -15.752 -1.526 833 1HD1 LEU 105 1HD1 LEU 105 -1.520 -17.889 -0.217 834 2HD1 LEU 105 2HD1 LEU 105 -0.185 -17.354 0.799 835 3HD1 LEU 105 3HD1 LEU 105 -1.716 -16.438 0.776 836 1HD2 LEU 105 3HD2 LEU 105 1.200 -15.321 0.113 837 2HD2 LEU 105 1HD2 LEU 105 0.646 -14.317 -1.237 838 3HD2 LEU 105 2HD2 LEU 105 -0.304 -14.379 0.252 839 H GLN 106 H GLN 106 3.187 -17.286 -3.482 840 HA GLN 106 HA GLN 106 2.894 -19.008 -5.797 841 1HB GLN 106 2HB GLN 106 5.077 -18.099 -5.095 842 2HB GLN 106 3HB GLN 106 4.974 -18.986 -3.563 843 1HG GLN 106 2HG GLN 106 5.115 -21.119 -4.709 844 2HG GLN 106 3HG GLN 106 4.921 -20.352 -6.286 845 1HE2 GLN 106 2HE2 GLN 106 8.603 -20.195 -4.421 846 2HE2 GLN 106 1HE2 GLN 106 7.191 -20.765 -3.554 No H/Q in entry = 846 Start of MODEL 5 1 1H ALA 2 2H ALA 2 -0.576 14.760 -9.121 2 2H ALA 2 3H ALA 2 -1.934 15.271 -8.325 3 3H ALA 2 1H ALA 2 -0.466 15.485 -7.648 4 HA ALA 2 HA ALA 2 -0.133 13.127 -7.470 5 1HB ALA 2 2HB ALA 2 -2.702 14.153 -6.202 6 2HB ALA 2 3HB ALA 2 -1.836 12.687 -5.734 7 3HB ALA 2 1HB ALA 2 -1.059 14.284 -5.546 8 H GLN 3 H GLN 3 -3.316 13.929 -8.941 9 HA GLN 3 HA GLN 3 -4.349 11.360 -9.168 10 1HB GLN 3 1HB GLN 3 -6.004 12.430 -10.609 11 2HB GLN 3 2HB GLN 3 -5.646 13.390 -9.184 12 1HG GLN 3 1HG GLN 3 -3.969 14.717 -10.707 13 2HG GLN 3 2HG GLN 3 -4.802 13.945 -12.051 14 1HE2 GLN 3 2HE2 GLN 3 -6.335 17.268 -11.624 15 2HE2 GLN 3 1HE2 GLN 3 -4.720 16.655 -11.905 16 H GLU 4 H GLU 4 -1.808 10.862 -10.052 17 HA GLU 4 HA GLU 4 -2.441 9.457 -12.473 18 1HB GLU 4 1HB GLU 4 -1.662 11.924 -13.135 19 2HB GLU 4 2HB GLU 4 -0.051 11.306 -12.806 20 1HG GLU 4 1HG GLU 4 -0.351 9.516 -14.447 21 2HG GLU 4 2HG GLU 4 -2.065 9.935 -14.653 22 H PHE 5 H PHE 5 0.394 10.745 -10.603 23 HA PHE 5 HA PHE 5 1.924 8.393 -10.901 24 1HB PHE 5 1HB PHE 5 2.819 10.570 -10.112 25 2HB PHE 5 2HB PHE 5 1.985 10.363 -8.576 26 HD1 PHE 5 2HD PHE 5 4.369 8.549 -10.867 27 HD2 PHE 5 1HD PHE 5 3.211 9.364 -6.796 28 HE1 PHE 5 2HE PHE 5 6.296 7.222 -10.040 29 HE2 PHE 5 1HE PHE 5 5.177 8.102 -5.981 30 HZ PHE 5 HZ PHE 5 6.684 6.957 -7.612 31 H VAL 6 H VAL 6 -0.474 9.258 -8.387 32 HA VAL 6 HA VAL 6 -0.184 6.702 -7.024 33 HB VAL 6 HB VAL 6 -2.249 8.919 -6.960 34 1HG1 VAL 6 3HG1 VAL 6 -2.338 6.350 -5.330 35 2HG1 VAL 6 1HG1 VAL 6 -3.334 7.785 -5.060 36 3HG1 VAL 6 2HG1 VAL 6 -3.521 6.844 -6.548 37 1HG2 VAL 6 1HG2 VAL 6 -0.011 9.206 -5.789 38 2HG2 VAL 6 2HG2 VAL 6 -1.421 9.267 -4.711 39 3HG2 VAL 6 3HG2 VAL 6 -0.411 7.812 -4.781 40 H ASN 7 H ASN 7 -2.661 8.065 -9.246 41 HA ASN 7 HA ASN 7 -4.250 5.784 -9.020 42 1HB ASN 7 1HB ASN 7 -4.670 8.269 -9.995 43 2HB ASN 7 2HB ASN 7 -4.488 7.425 -11.533 44 1HD2 ASN 7 2HD2 ASN 7 -7.995 7.232 -9.669 45 2HD2 ASN 7 1HD2 ASN 7 -6.872 8.558 -9.652 46 H CYS 8 H CYS 8 -1.900 6.534 -11.643 47 HA CYS 8 HA CYS 8 -2.597 4.186 -13.169 48 1HB CYS 8 1HB CYS 8 -0.160 6.007 -13.306 49 2HB CYS 8 2HB CYS 8 -0.653 4.823 -14.529 50 HG CYS 8 HG CYS 8 -3.207 5.981 -14.596 51 H LYS 9 H LYS 9 -0.594 4.550 -10.306 52 HA LYS 9 HA LYS 9 1.316 2.478 -11.057 53 1HB LYS 9 1HB LYS 9 0.614 3.896 -8.472 54 2HB LYS 9 2HB LYS 9 1.571 2.429 -8.410 55 1HG LYS 9 1HG LYS 9 2.374 4.739 -10.204 56 2HG LYS 9 2HG LYS 9 2.820 4.662 -8.489 57 1HD LYS 9 1HD LYS 9 3.887 2.439 -8.882 58 2HD LYS 9 2HD LYS 9 3.563 2.614 -10.615 59 1HE LYS 9 1HE LYS 9 5.181 4.592 -8.948 60 2HE LYS 9 2HE LYS 9 5.876 3.266 -9.876 61 1HZ LYS 9 1HZ LYS 9 4.889 4.218 -11.874 62 2HZ LYS 9 2HZ LYS 9 4.366 5.528 -11.000 63 3HZ LYS 9 3HZ LYS 9 5.984 5.201 -11.150 64 H ILE 10 H ILE 10 -1.879 2.470 -9.371 65 HA ILE 10 HA ILE 10 -1.376 -0.308 -8.594 66 HB ILE 10 HB ILE 10 -4.063 0.980 -8.261 67 1HG1 ILE 10 1HG1 ILE 10 -2.926 1.593 -5.833 68 2HG1 ILE 10 2HG1 ILE 10 -1.639 2.066 -6.923 69 1HG2 ILE 10 2HG2 ILE 10 -3.603 -1.392 -7.664 70 2HG2 ILE 10 3HG2 ILE 10 -2.324 -0.880 -6.557 71 3HG2 ILE 10 1HG2 ILE 10 -4.001 -0.444 -6.218 72 1HD1 ILE 10 2HD1 ILE 10 -3.379 3.408 -8.221 73 2HD1 ILE 10 3HD1 ILE 10 -4.571 2.953 -6.989 74 3HD1 ILE 10 1HD1 ILE 10 -3.184 3.954 -6.544 75 H GLN 11 H GLN 11 -1.974 -2.022 -9.822 76 HA GLN 11 HA GLN 11 -4.039 -1.640 -11.946 77 1HB GLN 11 1HB GLN 11 -1.625 -3.488 -11.758 78 2HB GLN 11 2HB GLN 11 -3.043 -3.963 -12.681 79 1HG GLN 11 1HG GLN 11 -1.511 -2.956 -14.189 80 2HG GLN 11 2HG GLN 11 -2.926 -1.908 -14.025 81 1HE2 GLN 11 2HE2 GLN 11 -0.937 0.847 -12.938 82 2HE2 GLN 11 1HE2 GLN 11 -2.431 0.303 -13.657 83 HA PRO 12 HA PRO 12 -6.415 -4.771 -9.683 84 1HB PRO 12 1HB PRO 12 -7.715 -6.072 -11.695 85 2HB PRO 12 2HB PRO 12 -8.127 -4.407 -11.196 86 1HG PRO 12 1HG PRO 12 -6.347 -5.250 -13.498 87 2HG PRO 12 2HG PRO 12 -7.712 -4.085 -13.500 88 1HD PRO 12 1HD PRO 12 -5.133 -3.262 -13.257 89 2HD PRO 12 2HD PRO 12 -6.449 -2.448 -12.370 90 H GLY 13 H GLY 13 -4.176 -5.477 -9.227 91 1HA GLY 13 1HA GLY 13 -3.911 -8.031 -8.681 92 2HA GLY 13 2HA GLY 13 -3.410 -8.028 -10.354 93 H LYS 14 H LYS 14 -2.612 -5.148 -8.475 94 HA LYS 14 HA LYS 14 0.149 -6.166 -8.003 95 1HB LYS 14 1HB LYS 14 -0.481 -4.010 -9.681 96 2HB LYS 14 2HB LYS 14 -0.234 -3.206 -8.138 97 1HG LYS 14 1HG LYS 14 1.976 -4.298 -7.944 98 2HG LYS 14 2HG LYS 14 1.721 -5.148 -9.466 99 1HD LYS 14 1HD LYS 14 1.806 -2.109 -9.163 100 2HD LYS 14 2HD LYS 14 3.229 -3.075 -9.533 101 1HE LYS 14 1HE LYS 14 0.705 -3.088 -11.244 102 2HE LYS 14 2HE LYS 14 2.053 -1.993 -11.520 103 1HZ LYS 14 1HZ LYS 14 2.418 -4.915 -11.503 104 2HZ LYS 14 2HZ LYS 14 2.081 -4.065 -12.867 105 3HZ LYS 14 3HZ LYS 14 3.464 -3.794 -12.027 106 H VAL 15 H VAL 15 1.124 -5.297 -5.977 107 HA VAL 15 HA VAL 15 -0.914 -4.517 -3.987 108 HB VAL 15 HB VAL 15 1.718 -6.011 -3.613 109 1HG1 VAL 15 1HG1 VAL 15 -0.545 -5.098 -1.845 110 2HG1 VAL 15 2HG1 VAL 15 0.560 -6.390 -1.308 111 3HG1 VAL 15 3HG1 VAL 15 1.144 -4.754 -1.635 112 1HG2 VAL 15 2HG2 VAL 15 -1.082 -7.169 -3.561 113 2HG2 VAL 15 3HG2 VAL 15 0.162 -7.505 -4.765 114 3HG2 VAL 15 1HG2 VAL 15 0.429 -7.995 -3.107 115 H VAL 16 H VAL 16 -0.662 -2.276 -4.596 116 HA VAL 16 HA VAL 16 2.106 -1.186 -4.467 117 HB VAL 16 HB VAL 16 -0.564 -0.071 -5.369 118 1HG1 VAL 16 3HG1 VAL 16 2.061 1.404 -4.984 119 2HG1 VAL 16 1HG1 VAL 16 0.738 1.992 -6.013 120 3HG1 VAL 16 2HG1 VAL 16 0.492 1.806 -4.269 121 1HG2 VAL 16 2HG2 VAL 16 0.832 -1.618 -6.854 122 2HG2 VAL 16 3HG2 VAL 16 0.604 0.010 -7.520 123 3HG2 VAL 16 1HG2 VAL 16 2.130 -0.433 -6.758 124 H VAL 17 H VAL 17 2.723 0.181 -2.775 125 HA VAL 17 HA VAL 17 0.685 0.811 -0.725 126 HB VAL 17 HB VAL 17 3.552 0.125 -0.033 127 1HG1 VAL 17 1HG1 VAL 17 2.265 1.531 1.545 128 2HG1 VAL 17 2HG1 VAL 17 0.981 0.338 1.589 129 3HG1 VAL 17 3HG1 VAL 17 2.588 -0.067 2.245 130 1HG2 VAL 17 2HG2 VAL 17 1.207 -1.803 0.020 131 2HG2 VAL 17 3HG2 VAL 17 2.679 -1.930 -0.967 132 3HG2 VAL 17 1HG2 VAL 17 2.811 -2.053 0.775 133 H PHE 18 H PHE 18 0.541 2.975 -0.774 134 HA PHE 18 HA PHE 18 2.810 4.544 -1.858 135 1HB PHE 18 1HB PHE 18 0.121 5.467 -0.740 136 2HB PHE 18 2HB PHE 18 1.335 6.518 -1.485 137 HD1 PHE 18 1HD PHE 18 2.105 6.058 -3.861 138 HD2 PHE 18 2HD PHE 18 -1.384 4.200 -2.140 139 HE1 PHE 18 1HE PHE 18 1.337 5.389 -6.128 140 HE2 PHE 18 2HE PHE 18 -2.165 3.577 -4.420 141 HZ PHE 18 HZ PHE 18 -0.815 4.194 -6.401 142 H ILE 19 H ILE 19 4.364 5.342 -0.543 143 HA ILE 19 HA ILE 19 4.003 5.309 2.396 144 HB ILE 19 HB ILE 19 6.258 4.187 2.537 145 1HG1 ILE 19 1HG1 ILE 19 6.138 3.017 -0.199 146 2HG1 ILE 19 2HG1 ILE 19 6.570 4.708 -0.169 147 1HG2 ILE 19 3HG2 ILE 19 4.181 2.874 2.814 148 2HG2 ILE 19 1HG2 ILE 19 4.310 2.384 1.111 149 3HG2 ILE 19 2HG2 ILE 19 5.579 1.930 2.269 150 1HD1 ILE 19 2HD1 ILE 19 8.406 4.288 1.409 151 2HD1 ILE 19 3HD1 ILE 19 8.019 2.553 1.376 152 3HD1 ILE 19 1HD1 ILE 19 8.575 3.367 -0.098 153 H LYS 20 H LYS 20 5.957 6.227 3.447 154 HA LYS 20 HA LYS 20 7.668 7.924 1.744 155 1HB LYS 20 1HB LYS 20 8.029 9.285 3.953 156 2HB LYS 20 2HB LYS 20 6.646 9.682 2.922 157 1HG LYS 20 1HG LYS 20 5.103 8.601 4.385 158 2HG LYS 20 2HG LYS 20 6.401 7.755 5.226 159 1HD LYS 20 1HD LYS 20 5.455 9.487 6.600 160 2HD LYS 20 2HD LYS 20 7.153 9.832 6.280 161 1HE LYS 20 1HE LYS 20 6.595 11.636 4.795 162 2HE LYS 20 2HE LYS 20 4.922 11.068 4.625 163 1HZ LYS 20 1HZ LYS 20 6.026 12.115 7.170 164 2HZ LYS 20 2HZ LYS 20 5.074 12.958 6.116 165 3HZ LYS 20 3HZ LYS 20 4.494 11.636 6.884 166 HA PRO 21 HA PRO 21 10.403 5.002 3.630 167 1HB PRO 21 1HB PRO 21 12.857 6.035 3.183 168 2HB PRO 21 2HB PRO 21 11.772 5.495 1.883 169 1HG PRO 21 1HG PRO 21 12.274 8.320 2.807 170 2HG PRO 21 2HG PRO 21 12.173 7.691 1.143 171 1HD PRO 21 1HD PRO 21 10.050 8.868 2.495 172 2HD PRO 21 2HD PRO 21 9.851 7.677 1.173 173 H THR 22 H THR 22 9.597 7.846 5.221 174 HA THR 22 HA THR 22 11.602 7.530 7.363 175 HB THR 22 HB THR 22 11.326 9.948 7.602 176 HG1 THR 22 HG1 THR 22 9.923 11.021 6.522 177 1HG2 THR 22 2HG2 THR 22 12.989 9.006 5.897 178 2HG2 THR 22 3HG2 THR 22 11.767 9.339 4.651 179 3HG2 THR 22 1HG2 THR 22 12.436 10.665 5.586 180 H CYS 23 H CSN 23 8.167 7.318 6.797 181 HA CYS 23 HA CSN 23 7.434 7.932 9.553 182 1HB CYS 23 2HB CSN 23 5.998 7.155 7.134 183 2HB CYS 23 3HB CSN 23 5.627 6.056 8.406 184 HA PRO 24 HA PRO 24 9.041 3.885 10.883 185 1HB PRO 24 1HB PRO 24 7.943 3.760 13.370 186 2HB PRO 24 2HB PRO 24 9.257 4.908 12.993 187 1HG PRO 24 1HG PRO 24 6.273 5.460 13.040 188 2HG PRO 24 2HG PRO 24 7.583 6.392 13.832 189 1HD PRO 24 1HD PRO 24 6.549 7.087 11.403 190 2HD PRO 24 2HD PRO 24 8.270 7.345 11.800 191 H TYR 25 H TYR 25 5.726 4.981 10.600 192 HA TYR 25 HA TYR 25 4.447 2.471 11.056 193 1HB TYR 25 1HB TYR 25 3.567 4.993 9.589 194 2HB TYR 25 2HB TYR 25 2.487 3.673 10.028 195 HD1 TYR 25 1HD TYR 25 3.125 2.962 12.775 196 HD2 TYR 25 2HD TYR 25 3.219 6.871 10.916 197 HE1 TYR 25 1HE TYR 25 2.969 4.010 14.977 198 HE2 TYR 25 2HE TYR 25 2.973 7.909 13.130 199 HH TYR 25 HH TYR 25 3.168 6.014 16.122 200 H CYS 26 H CYS 26 5.520 4.247 8.112 201 HA CYS 26 HA CYS 26 4.638 2.261 6.221 202 1HB CYS 26 1HB CYS 26 6.796 4.416 6.085 203 2HB CYS 26 2HB CYS 26 6.420 3.299 4.768 204 HG CYS 26 HG CYS 26 4.262 5.339 6.264 205 H ARG 27 H ARG 27 7.769 2.842 7.937 206 HA ARG 27 HA ARG 27 9.127 0.653 6.860 207 1HB ARG 27 1HB ARG 27 10.077 2.424 8.413 208 2HB ARG 27 2HB ARG 27 9.375 1.510 9.762 209 1HG ARG 27 1HG ARG 27 10.609 -0.539 8.860 210 2HG ARG 27 2HG ARG 27 11.468 0.526 7.749 211 1HD ARG 27 1HD ARG 27 11.406 0.994 10.746 212 2HD ARG 27 2HD ARG 27 12.530 -0.159 10.006 213 HE ARG 27 HE ARG 27 12.768 2.327 8.657 214 1HH1 ARG 27 2HH2 ARG 27 13.336 0.960 11.892 215 2HH1 ARG 27 1HH2 ARG 27 14.819 1.813 12.165 216 1HH2 ARG 27 2HH1 ARG 27 14.760 3.478 8.988 217 2HH2 ARG 27 1HH1 ARG 27 15.482 3.459 10.560 218 H ARG 28 H ARG 28 6.924 0.605 9.733 219 HA ARG 28 HA ARG 28 7.109 -2.156 10.269 220 1HB ARG 28 1HB ARG 28 5.727 -0.503 11.606 221 2HB ARG 28 2HB ARG 28 4.526 -0.557 10.347 222 1HG ARG 28 1HG ARG 28 3.579 -2.418 11.188 223 2HG ARG 28 2HG ARG 28 5.047 -3.310 10.930 224 1HD ARG 28 1HD ARG 28 5.822 -2.057 13.201 225 2HD ARG 28 2HD ARG 28 4.075 -1.955 13.448 226 HE ARG 28 HE ARG 28 5.687 -4.449 13.019 227 1HH1 ARG 28 2HH2 ARG 28 3.042 -2.876 14.916 228 2HH1 ARG 28 1HH2 ARG 28 2.734 -4.321 15.786 229 1HH2 ARG 28 2HH1 ARG 28 5.211 -6.236 14.115 230 2HH2 ARG 28 1HH1 ARG 28 4.004 -6.290 15.363 231 H ALA 29 H ALA 29 4.727 -0.512 8.166 232 HA ALA 29 HA ALA 29 3.498 -2.849 7.180 233 1HB ALA 29 2HB ALA 29 3.930 -0.219 5.726 234 2HB ALA 29 3HB ALA 29 2.898 -1.534 5.136 235 3HB ALA 29 1HB ALA 29 2.501 -0.759 6.673 236 H GLN 30 H GLN 30 6.530 -1.341 6.058 237 HA GLN 30 HA GLN 30 6.850 -3.095 3.815 238 1HB GLN 30 1HB GLN 30 8.484 -1.063 5.275 239 2HB GLN 30 2HB GLN 30 9.422 -2.322 4.466 240 1HG GLN 30 1HG GLN 30 8.645 -1.760 2.354 241 2HG GLN 30 2HG GLN 30 7.102 -1.235 2.986 242 1HE2 GLN 30 2HE2 GLN 30 10.262 1.414 2.443 243 2HE2 GLN 30 1HE2 GLN 30 10.363 -0.315 2.169 244 H GLU 31 H GLU 31 7.878 -3.533 7.208 245 HA GLU 31 HA GLU 31 9.185 -6.039 6.358 246 1HB GLU 31 1HB GLU 31 9.442 -6.559 8.759 247 2HB GLU 31 2HB GLU 31 10.139 -4.996 8.340 248 1HG GLU 31 1HG GLU 31 8.308 -3.805 9.346 249 2HG GLU 31 2HG GLU 31 7.407 -5.300 9.656 250 H ILE 32 H ILE 32 6.192 -5.097 7.988 251 HA ILE 32 HA ILE 32 5.030 -7.573 8.355 252 HB ILE 32 HB ILE 32 4.073 -4.795 7.874 253 1HG1 ILE 32 1HG1 ILE 32 3.706 -6.879 10.078 254 2HG1 ILE 32 2HG1 ILE 32 4.790 -5.491 10.100 255 1HG2 ILE 32 1HG2 ILE 32 2.109 -7.057 7.838 256 2HG2 ILE 32 2HG2 ILE 32 1.715 -5.325 8.061 257 3HG2 ILE 32 3HG2 ILE 32 2.418 -5.849 6.558 258 1HD1 ILE 32 1HD1 ILE 32 2.661 -4.032 9.942 259 2HD1 ILE 32 2HD1 ILE 32 1.758 -5.515 10.319 260 3HD1 ILE 32 3HD1 ILE 32 2.944 -4.899 11.475 261 H LEU 33 H LEU 33 4.830 -5.539 5.401 262 HA LEU 33 HA LEU 33 3.327 -7.657 4.151 263 1HB LEU 33 1HB LEU 33 4.248 -4.957 3.118 264 2HB LEU 33 2HB LEU 33 3.830 -6.197 1.973 265 HG LEU 33 HG LEU 33 1.891 -5.094 4.057 266 1HD1 LEU 33 3HD1 LEU 33 2.391 -3.519 2.320 267 2HD1 LEU 33 1HD1 LEU 33 1.959 -4.720 1.066 268 3HD1 LEU 33 2HD1 LEU 33 0.737 -4.134 2.195 269 1HD2 LEU 33 3HD2 LEU 33 1.523 -7.162 1.821 270 2HD2 LEU 33 1HD2 LEU 33 1.310 -7.442 3.556 271 3HD2 LEU 33 2HD2 LEU 33 0.192 -6.389 2.701 272 H SER 34 H SER 34 6.783 -6.255 3.838 273 HA SER 34 HA SER 34 7.295 -8.222 1.756 274 1HB SER 34 1HB SER 34 8.418 -5.951 2.056 275 2HB SER 34 2HB SER 34 9.449 -6.789 3.243 276 HG SER 34 HG SER 34 9.914 -8.309 1.597 277 H GLN 35 H GLN 35 6.813 -8.940 4.953 278 HA GLN 35 HA GLN 35 8.844 -10.992 5.312 279 1HB GLN 35 1HB GLN 35 6.336 -10.078 6.697 280 2HB GLN 35 2HB GLN 35 6.948 -11.668 7.082 281 1HG GLN 35 1HG GLN 35 8.978 -9.454 7.137 282 2HG GLN 35 2HG GLN 35 7.720 -9.414 8.371 283 1HE2 GLN 35 2HE2 GLN 35 9.368 -11.835 10.341 284 2HE2 GLN 35 1HE2 GLN 35 8.361 -10.389 10.247 285 H LEU 36 H LEU 36 6.021 -10.877 3.283 286 HA LEU 36 HA LEU 36 5.505 -13.754 3.733 287 1HB LEU 36 1HB LEU 36 3.730 -11.369 3.086 288 2HB LEU 36 2HB LEU 36 3.164 -13.027 3.154 289 HG LEU 36 HG LEU 36 4.422 -11.518 5.502 290 1HD1 LEU 36 2HD1 LEU 36 2.212 -10.651 4.839 291 2HD1 LEU 36 3HD1 LEU 36 1.534 -12.294 5.035 292 3HD1 LEU 36 1HD1 LEU 36 2.194 -11.421 6.435 293 1HD2 LEU 36 1HD2 LEU 36 3.131 -14.281 5.346 294 2HD2 LEU 36 2HD2 LEU 36 4.813 -13.907 5.794 295 3HD2 LEU 36 3HD2 LEU 36 3.498 -13.429 6.858 296 HA PRO 37 HA PRO 37 6.388 -14.481 -0.439 297 1HB PRO 37 1HB PRO 37 5.112 -16.826 -0.969 298 2HB PRO 37 2HB PRO 37 6.432 -16.692 0.230 299 1HG PRO 37 1HG PRO 37 3.446 -16.701 0.754 300 2HG PRO 37 2HG PRO 37 4.726 -17.627 1.595 301 1HD PRO 37 1HD PRO 37 3.718 -15.252 2.546 302 2HD PRO 37 2HD PRO 37 5.401 -15.763 2.829 303 H ILE 38 H ILE 38 5.508 -12.733 -1.595 304 HA ILE 38 HA ILE 38 2.741 -13.071 -2.718 305 HB ILE 38 HB ILE 38 4.244 -10.711 -1.518 306 1HG1 ILE 38 1HG1 ILE 38 1.265 -11.414 -1.381 307 2HG1 ILE 38 2HG1 ILE 38 2.443 -12.230 -0.367 308 1HG2 ILE 38 2HG2 ILE 38 2.003 -10.423 -3.591 309 2HG2 ILE 38 3HG2 ILE 38 2.566 -9.129 -2.533 310 3HG2 ILE 38 1HG2 ILE 38 3.663 -9.807 -3.714 311 1HD1 ILE 38 3HD1 ILE 38 3.201 -10.077 0.553 312 2HD1 ILE 38 1HD1 ILE 38 1.908 -9.259 -0.359 313 3HD1 ILE 38 2HD1 ILE 38 1.507 -10.452 0.897 314 H LYS 39 H LYS 39 2.644 -12.751 -5.002 315 HA LYS 39 HA LYS 39 4.590 -13.608 -6.411 316 1HB LYS 39 1HB LYS 39 2.173 -12.168 -7.018 317 2HB LYS 39 2HB LYS 39 3.391 -11.865 -8.258 318 1HG LYS 39 1HG LYS 39 2.864 -14.677 -7.292 319 2HG LYS 39 2HG LYS 39 1.777 -13.885 -8.404 320 1HD LYS 39 1HD LYS 39 4.754 -14.346 -8.758 321 2HD LYS 39 2HD LYS 39 3.488 -15.353 -9.472 322 1HE LYS 39 1HE LYS 39 2.721 -13.381 -10.829 323 2HE LYS 39 2HE LYS 39 4.047 -12.425 -10.148 324 1HZ LYS 39 3HZ LYS 39 5.588 -14.079 -11.094 325 2HZ LYS 39 1HZ LYS 39 4.321 -14.804 -11.865 326 3HZ LYS 39 2HZ LYS 39 4.745 -13.250 -12.229 327 H GLN 40 H GLN 40 6.479 -13.048 -7.327 328 HA GLN 40 HA GLN 40 8.036 -11.036 -6.495 329 1HB GLN 40 1HB GLN 40 8.568 -13.132 -7.906 330 2HB GLN 40 2HB GLN 40 8.295 -12.127 -9.321 331 1HG GLN 40 1HG GLN 40 10.395 -11.787 -7.150 332 2HG GLN 40 2HG GLN 40 10.662 -12.247 -8.831 333 1HE2 GLN 40 2HE2 GLN 40 11.059 -8.419 -7.958 334 2HE2 GLN 40 1HE2 GLN 40 11.186 -9.743 -6.814 335 H GLY 41 H GLY 41 7.846 -8.900 -6.555 336 1HA GLY 41 1HA GLY 41 7.830 -6.803 -7.451 337 2HA GLY 41 2HA GLY 41 7.575 -7.484 -9.049 338 H LEU 42 H LEU 42 4.992 -8.625 -6.874 339 HA LEU 42 HA LEU 42 3.158 -6.621 -7.907 340 1HB LEU 42 1HB LEU 42 2.787 -8.479 -5.559 341 2HB LEU 42 2HB LEU 42 1.640 -7.453 -6.358 342 HG LEU 42 HG LEU 42 2.814 -9.987 -7.357 343 1HD1 LEU 42 3HD1 LEU 42 0.818 -9.999 -5.878 344 2HD1 LEU 42 1HD1 LEU 42 -0.023 -8.948 -7.041 345 3HD1 LEU 42 2HD1 LEU 42 0.421 -10.592 -7.514 346 1HD2 LEU 42 1HD2 LEU 42 1.384 -7.910 -9.015 347 2HD2 LEU 42 2HD2 LEU 42 2.943 -8.715 -9.340 348 3HD2 LEU 42 3HD2 LEU 42 1.427 -9.632 -9.435 349 H LEU 43 H LEU 43 5.260 -7.082 -5.012 350 HA LEU 43 HA LEU 43 3.706 -5.128 -3.522 351 1HB LEU 43 1HB LEU 43 5.299 -7.259 -2.721 352 2HB LEU 43 2HB LEU 43 6.344 -5.889 -2.431 353 HG LEU 43 HG LEU 43 5.299 -6.092 -0.411 354 1HD1 LEU 43 2HD1 LEU 43 4.885 -3.767 -1.302 355 2HD1 LEU 43 3HD1 LEU 43 3.223 -4.247 -1.626 356 3HD1 LEU 43 1HD1 LEU 43 3.855 -4.283 0.028 357 1HD2 LEU 43 1HD2 LEU 43 2.788 -6.896 -1.877 358 2HD2 LEU 43 2HD2 LEU 43 3.814 -7.867 -0.818 359 3HD2 LEU 43 3HD2 LEU 43 2.816 -6.579 -0.125 360 H GLU 44 H GLU 44 3.911 -3.013 -4.181 361 HA GLU 44 HA GLU 44 6.620 -2.048 -5.002 362 1HB GLU 44 1HB GLU 44 4.959 -2.694 -6.790 363 2HB GLU 44 2HB GLU 44 3.977 -1.329 -6.238 364 1HG GLU 44 1HG GLU 44 5.867 0.190 -6.657 365 2HG GLU 44 2HG GLU 44 6.917 -1.164 -7.047 366 H PHE 45 H PHE 45 7.294 -0.830 -3.407 367 HA PHE 45 HA PHE 45 5.412 0.633 -1.671 368 1HB PHE 45 1HB PHE 45 8.413 0.155 -1.490 369 2HB PHE 45 2HB PHE 45 7.426 0.955 -0.278 370 HD1 PHE 45 2HD PHE 45 5.486 -0.378 0.797 371 HD2 PHE 45 1HD PHE 45 8.694 -2.225 -1.407 372 HE1 PHE 45 2HE PHE 45 4.993 -2.550 1.900 373 HE2 PHE 45 1HE PHE 45 8.239 -4.372 -0.260 374 HZ PHE 45 HZ PHE 45 6.401 -4.541 1.405 375 H VAL 46 H VAL 46 4.724 2.381 -2.891 376 HA VAL 46 HA VAL 46 6.557 3.777 -4.682 377 HB VAL 46 HB VAL 46 3.563 4.008 -4.191 378 1HG1 VAL 46 2HG1 VAL 46 5.360 5.318 -6.281 379 2HG1 VAL 46 3HG1 VAL 46 3.588 5.314 -6.347 380 3HG1 VAL 46 1HG1 VAL 46 4.408 6.147 -5.026 381 1HG2 VAL 46 3HG2 VAL 46 4.271 1.883 -5.268 382 2HG2 VAL 46 1HG2 VAL 46 3.376 2.916 -6.384 383 3HG2 VAL 46 2HG2 VAL 46 5.151 2.797 -6.501 384 H ASP 47 H ASP 47 7.809 5.301 -3.868 385 HA ASP 47 HA ASP 47 7.347 6.611 -1.368 386 1HB ASP 47 1HB ASP 47 9.556 6.044 -2.353 387 2HB ASP 47 2HB ASP 47 9.355 7.365 -3.507 388 H ILE 48 H ILE 48 5.944 8.173 -1.018 389 HA ILE 48 HA ILE 48 4.890 9.995 -3.007 390 HB ILE 48 HB ILE 48 3.702 11.011 -1.169 391 1HG1 ILE 48 1HG1 ILE 48 5.408 9.397 0.764 392 2HG1 ILE 48 2HG1 ILE 48 5.370 11.125 0.589 393 1HG2 ILE 48 2HG2 ILE 48 3.056 8.702 -2.128 394 2HG2 ILE 48 3HG2 ILE 48 3.695 8.000 -0.645 395 3HG2 ILE 48 1HG2 ILE 48 2.334 9.123 -0.564 396 1HD1 ILE 48 3HD1 ILE 48 2.975 11.144 1.284 397 2HD1 ILE 48 1HD1 ILE 48 3.123 9.407 1.655 398 3HD1 ILE 48 2HD1 ILE 48 4.112 10.588 2.526 399 H THR 49 H THR 49 7.646 10.138 -0.762 400 HA THR 49 HA THR 49 7.702 13.095 -1.010 401 HB THR 49 HB THR 49 7.383 12.295 1.247 402 HG1 THR 49 HG1 THR 49 9.832 13.453 0.558 403 1HG2 THR 49 2HG2 THR 49 10.064 10.887 0.961 404 2HG2 THR 49 3HG2 THR 49 9.200 11.176 2.490 405 3HG2 THR 49 1HG2 THR 49 8.483 10.135 1.250 406 H ALA 50 H ALA 50 9.070 10.522 -2.501 407 HA ALA 50 HA ALA 50 11.695 11.593 -3.077 408 1HB ALA 50 1HB ALA 50 9.829 9.730 -4.598 409 2HB ALA 50 2HB ALA 50 11.503 10.074 -5.057 410 3HB ALA 50 3HB ALA 50 11.171 9.260 -3.529 411 H THR 51 H THR 51 10.323 13.805 -2.993 412 HA THR 51 HA THR 51 9.667 15.726 -3.962 413 HB THR 51 HB THR 51 11.985 14.776 -5.093 414 HG1 THR 51 HG1 THR 51 12.374 16.930 -5.306 415 1HG2 THR 51 1HG2 THR 51 10.662 14.516 -7.254 416 2HG2 THR 51 2HG2 THR 51 10.474 16.288 -7.223 417 3HG2 THR 51 3HG2 THR 51 12.096 15.571 -7.294 418 H ASN 52 H ASN 52 7.942 13.193 -4.514 419 HA ASN 52 HA ASN 52 6.900 13.770 -7.142 420 1HB ASN 52 1HB ASN 52 7.211 11.462 -5.717 421 2HB ASN 52 2HB ASN 52 5.486 11.748 -5.465 422 1HD2 ASN 52 2HD2 ASN 52 4.874 11.686 -9.132 423 2HD2 ASN 52 1HD2 ASN 52 4.358 12.542 -7.670 424 H HIS 53 H HIS 53 6.334 15.589 -4.710 425 HA HIS 53 HA HIS 53 4.751 16.924 -3.805 426 1HB HIS 53 1HB HIS 53 2.801 15.808 -5.879 427 2HB HIS 53 2HB HIS 53 2.442 16.938 -4.619 428 HD1 HIS 53 1HD HIS 53 1.592 18.175 -6.906 429 HD2 HIS 53 2HD HIS 53 5.687 18.130 -5.914 430 HE1 HIS 53 1HE HIS 53 2.680 20.135 -8.174 431 H THR 54 H THR 54 5.108 15.642 -1.927 432 HA THR 54 HA THR 54 3.794 13.128 -1.484 433 HB THR 54 HB THR 54 5.506 13.089 -0.131 434 HG1 THR 54 HG1 THR 54 5.047 13.717 2.027 435 1HG2 THR 54 1HG2 THR 54 6.468 15.204 -0.662 436 2HG2 THR 54 2HG2 THR 54 5.348 15.988 0.509 437 3HG2 THR 54 3HG2 THR 54 6.588 14.832 1.066 438 H ASN 55 H ASN 55 3.409 16.242 0.015 439 HA ASN 55 HA ASN 55 1.121 15.417 1.365 440 1HB ASN 55 1HB ASN 55 2.676 17.501 1.789 441 2HB ASN 55 2HB ASN 55 1.364 18.374 0.983 442 1HD2 ASN 55 2HD2 ASN 55 0.456 18.500 4.524 443 2HD2 ASN 55 1HD2 ASN 55 1.550 19.259 3.383 444 H GLU 56 H GLU 56 1.109 17.020 -1.892 445 HA GLU 56 HA GLU 56 -1.607 17.181 -2.244 446 1HB GLU 56 1HB GLU 56 0.746 17.676 -3.582 447 2HB GLU 56 2HB GLU 56 0.310 16.173 -4.387 448 1HG GLU 56 1HG GLU 56 -1.965 17.883 -4.265 449 2HG GLU 56 2HG GLU 56 -0.580 18.865 -4.756 450 H ILE 57 H ILE 57 0.652 14.392 -2.730 451 HA ILE 57 HA ILE 57 -1.321 12.561 -3.717 452 HB ILE 57 HB ILE 57 1.499 12.383 -2.629 453 1HG1 ILE 57 1HG1 ILE 57 0.224 11.387 -5.215 454 2HG1 ILE 57 2HG1 ILE 57 0.918 12.992 -5.007 455 1HG2 ILE 57 2HG2 ILE 57 -0.362 10.016 -2.958 456 2HG2 ILE 57 3HG2 ILE 57 1.397 9.870 -3.021 457 3HG2 ILE 57 1HG2 ILE 57 0.617 10.464 -1.558 458 1HD1 ILE 57 3HD1 ILE 57 3.128 11.977 -4.450 459 2HD1 ILE 57 1HD1 ILE 57 2.459 10.381 -4.859 460 3HD1 ILE 57 2HD1 ILE 57 2.556 11.644 -6.096 461 H GLN 58 H GLN 58 -0.212 13.412 -0.494 462 HA GLN 58 HA GLN 58 -1.426 11.387 1.044 463 1HB GLN 58 1HB GLN 58 -0.616 14.301 1.439 464 2HB GLN 58 2HB GLN 58 -1.569 13.546 2.679 465 1HG GLN 58 1HG GLN 58 1.152 12.613 1.740 466 2HG GLN 58 2HG GLN 58 0.820 13.443 3.238 467 1HE2 GLN 58 2HE2 GLN 58 -1.182 10.415 4.292 468 2HE2 GLN 58 1HE2 GLN 58 -1.292 12.159 4.416 469 H ASP 59 H ASP 59 -2.645 14.632 0.061 470 HA ASP 59 HA ASP 59 -5.256 14.371 1.152 471 1HB ASP 59 1HB ASP 59 -3.897 16.446 0.125 472 2HB ASP 59 2HB ASP 59 -4.657 16.002 -1.346 473 H TYR 60 H TYR 60 -4.000 13.975 -2.053 474 HA TYR 60 HA TYR 60 -6.400 13.229 -3.386 475 1HB TYR 60 1HB TYR 60 -4.255 13.712 -4.525 476 2HB TYR 60 2HB TYR 60 -3.619 12.151 -3.995 477 HD1 TYR 60 1HD TYR 60 -6.483 13.707 -5.861 478 HD2 TYR 60 2HD TYR 60 -3.958 10.241 -5.375 479 HE1 TYR 60 1HE TYR 60 -7.632 12.609 -7.757 480 HE2 TYR 60 2HE TYR 60 -5.073 9.159 -7.315 481 HH TYR 60 HH TYR 60 -7.879 10.662 -8.961 482 H LEU 61 H LEU 61 -4.126 11.081 -1.628 483 HA LEU 61 HA LEU 61 -5.582 8.656 -2.041 484 1HB LEU 61 1HB LEU 61 -3.661 9.540 0.135 485 2HB LEU 61 2HB LEU 61 -4.361 7.936 0.109 486 HG LEU 61 HG LEU 61 -2.808 9.030 -2.272 487 1HD1 LEU 61 2HD1 LEU 61 -1.698 7.461 0.102 488 2HD1 LEU 61 3HD1 LEU 61 -0.822 7.874 -1.395 489 3HD1 LEU 61 1HD1 LEU 61 -1.338 9.153 -0.290 490 1HD2 LEU 61 3HD2 LEU 61 -4.233 7.013 -2.607 491 2HD2 LEU 61 1HD2 LEU 61 -2.503 6.703 -2.822 492 3HD2 LEU 61 2HD2 LEU 61 -3.317 6.188 -1.332 493 H GLN 62 H GLN 62 -6.003 11.295 0.345 494 HA GLN 62 HA GLN 62 -7.912 9.962 1.971 495 1HB GLN 62 1HB GLN 62 -6.960 12.185 2.513 496 2HB GLN 62 2HB GLN 62 -7.918 12.929 1.260 497 1HG GLN 62 1HG GLN 62 -9.373 11.328 3.344 498 2HG GLN 62 2HG GLN 62 -8.709 12.906 3.741 499 1HE2 GLN 62 2HE2 GLN 62 -12.115 12.744 1.512 500 2HE2 GLN 62 1HE2 GLN 62 -11.237 11.277 1.820 501 H GLN 63 H GLN 63 -8.375 11.882 -0.969 502 HA GLN 63 HA GLN 63 -11.208 11.461 -1.000 503 1HB GLN 63 1HB GLN 63 -9.462 13.049 -2.407 504 2HB GLN 63 2HB GLN 63 -9.783 11.837 -3.619 505 1HG GLN 63 1HG GLN 63 -11.375 13.671 -3.849 506 2HG GLN 63 2HG GLN 63 -12.239 12.230 -3.314 507 1HE2 GLN 63 2HE2 GLN 63 -11.700 15.195 -0.441 508 2HE2 GLN 63 1HE2 GLN 63 -10.335 14.818 -1.469 509 H LEU 64 H LEU 64 -8.541 9.822 -2.699 510 HA LEU 64 HA LEU 64 -10.230 8.105 -4.207 511 1HB LEU 64 1HB LEU 64 -8.160 8.707 -5.146 512 2HB LEU 64 2HB LEU 64 -7.296 8.397 -3.647 513 HG LEU 64 HG LEU 64 -7.595 5.936 -3.975 514 1HD1 LEU 64 3HD1 LEU 64 -9.494 6.051 -5.645 515 2HD1 LEU 64 1HD1 LEU 64 -8.404 6.859 -6.778 516 3HD1 LEU 64 2HD1 LEU 64 -8.088 5.179 -6.297 517 1HD2 LEU 64 3HD2 LEU 64 -5.509 7.132 -4.504 518 2HD2 LEU 64 1HD2 LEU 64 -5.786 5.761 -5.594 519 3HD2 LEU 64 2HD2 LEU 64 -6.099 7.418 -6.156 520 H THR 65 H THR 65 -8.988 7.683 -0.913 521 HA THR 65 HA THR 65 -10.124 4.911 -0.955 522 HB THR 65 HB THR 65 -8.440 4.236 0.584 523 HG1 THR 65 HG1 THR 65 -7.415 6.893 0.466 524 1HG2 THR 65 3HG2 THR 65 -7.875 4.233 -1.830 525 2HG2 THR 65 1HG2 THR 65 -7.040 5.793 -1.615 526 3HG2 THR 65 2HG2 THR 65 -6.455 4.353 -0.761 527 H GLY 66 H GLY 66 -10.098 7.988 0.832 528 1HA GLY 66 1HA GLY 66 -12.062 8.453 2.099 529 2HA GLY 66 2HA GLY 66 -12.027 6.828 2.772 530 H ALA 67 H ALA 67 -8.737 7.580 2.748 531 HA ALA 67 HA ALA 67 -8.755 9.639 4.801 532 1HB ALA 67 2HB ALA 67 -7.891 6.810 5.466 533 2HB ALA 67 3HB ALA 67 -7.473 8.237 6.431 534 3HB ALA 67 1HB ALA 67 -9.174 7.760 6.252 535 H ARG 68 H ARG 68 -6.728 10.581 5.043 536 HA ARG 68 HA ARG 68 -4.913 10.197 2.803 537 1HB ARG 68 1HB ARG 68 -3.541 11.934 3.882 538 2HB ARG 68 2HB ARG 68 -5.152 12.460 3.572 539 1HG ARG 68 1HG ARG 68 -4.549 11.424 6.357 540 2HG ARG 68 2HG ARG 68 -3.815 12.920 5.836 541 1HD ARG 68 1HD ARG 68 -5.684 13.834 6.725 542 2HD ARG 68 2HD ARG 68 -6.255 13.604 5.085 543 HE ARG 68 HE ARG 68 -6.828 11.495 7.116 544 1HH1 ARG 68 2HH2 ARG 68 -8.022 14.558 5.740 545 2HH1 ARG 68 1HH2 ARG 68 -9.664 14.224 6.100 546 1HH2 ARG 68 2HH1 ARG 68 -9.072 10.996 7.462 547 2HH2 ARG 68 1HH1 ARG 68 -10.267 12.158 6.962 548 H THR 69 H THR 69 -5.040 8.642 5.972 549 HA THR 69 HA THR 69 -2.303 9.002 6.510 550 HB THR 69 HB THR 69 -2.876 7.222 8.294 551 HG1 THR 69 HG1 THR 69 -5.009 6.837 8.585 552 1HG2 THR 69 1HG2 THR 69 -2.916 9.729 8.577 553 2HG2 THR 69 2HG2 THR 69 -4.628 9.729 8.117 554 3HG2 THR 69 3HG2 THR 69 -4.100 8.893 9.583 555 H VAL 70 H VAL 70 -0.559 7.812 6.239 556 HA VAL 70 HA VAL 70 -0.664 5.517 4.380 557 HB VAL 70 HB VAL 70 1.902 6.197 4.253 558 1HG1 VAL 70 2HG1 VAL 70 0.368 6.248 2.351 559 2HG1 VAL 70 3HG1 VAL 70 -0.226 7.847 2.855 560 3HG1 VAL 70 1HG1 VAL 70 1.461 7.631 2.339 561 1HG2 VAL 70 1HG2 VAL 70 1.781 7.959 6.035 562 2HG2 VAL 70 2HG2 VAL 70 2.381 8.546 4.475 563 3HG2 VAL 70 3HG2 VAL 70 0.723 8.908 4.976 564 HA PRO 71 HA PRO 71 1.722 4.050 3.920 565 1HB PRO 71 1HB PRO 71 1.746 1.314 4.274 566 2HB PRO 71 2HB PRO 71 3.080 2.399 4.745 567 1HG PRO 71 1HG PRO 71 0.863 1.291 6.487 568 2HG PRO 71 2HG PRO 71 2.617 1.392 6.853 569 1HD PRO 71 1HD PRO 71 0.916 3.219 7.837 570 2HD PRO 71 2HD PRO 71 2.543 3.674 7.265 571 H ARG 72 H ARG 72 0.284 3.890 2.240 572 HA ARG 72 HA ARG 72 -2.471 2.992 2.939 573 1HB ARG 72 1HB ARG 72 -1.846 5.371 1.891 574 2HB ARG 72 2HB ARG 72 -1.824 4.476 0.379 575 1HG ARG 72 1HG ARG 72 -4.065 5.253 0.563 576 2HG ARG 72 2HG ARG 72 -4.153 3.571 1.115 577 1HD ARG 72 1HD ARG 72 -3.799 4.503 3.480 578 2HD ARG 72 2HD ARG 72 -4.037 6.119 2.796 579 HE ARG 72 HE ARG 72 -6.305 4.927 2.004 580 1HH1 ARG 72 2HH2 ARG 72 -4.707 5.394 5.107 581 2HH1 ARG 72 1HH2 ARG 72 -6.105 5.041 6.078 582 1HH2 ARG 72 2HH1 ARG 72 -8.174 4.240 3.276 583 2HH2 ARG 72 1HH1 ARG 72 -8.164 4.539 4.975 584 H VAL 73 H VAL 73 -2.343 0.801 2.771 585 HA VAL 73 HA VAL 73 -0.919 -0.471 0.552 586 HB VAL 73 HB VAL 73 -2.590 -1.550 2.838 587 1HG1 VAL 73 2HG1 VAL 73 -1.129 -3.089 0.626 588 2HG1 VAL 73 3HG1 VAL 73 -1.825 -3.844 2.072 589 3HG1 VAL 73 1HG1 VAL 73 -2.880 -3.081 0.899 590 1HG2 VAL 73 1HG2 VAL 73 0.379 -1.747 2.280 591 2HG2 VAL 73 2HG2 VAL 73 -0.407 -0.771 3.553 592 3HG2 VAL 73 3HG2 VAL 73 -0.484 -2.534 3.590 593 H PHE 74 H PHE 74 -1.699 -0.871 -1.340 594 HA PHE 74 HA PHE 74 -4.585 -0.743 -1.937 595 1HB PHE 74 1HB PHE 74 -2.314 0.828 -2.853 596 2HB PHE 74 2HB PHE 74 -2.932 -0.098 -4.186 597 HD1 PHE 74 1HD PHE 74 -5.582 -0.122 -4.431 598 HD2 PHE 74 2HD PHE 74 -3.315 2.913 -2.393 599 HE1 PHE 74 1HE PHE 74 -7.406 1.542 -4.847 600 HE2 PHE 74 2HE PHE 74 -5.082 4.578 -2.904 601 HZ PHE 74 HZ PHE 74 -7.142 3.853 -4.135 602 H ILE 75 H ILE 75 -5.073 -2.865 -2.039 603 HA ILE 75 HA ILE 75 -3.292 -4.772 -3.454 604 HB ILE 75 HB ILE 75 -4.923 -4.999 -0.999 605 1HG1 ILE 75 1HG1 ILE 75 -3.413 -7.249 -1.099 606 2HG1 ILE 75 2HG1 ILE 75 -2.507 -6.268 -2.229 607 1HG2 ILE 75 3HG2 ILE 75 -5.104 -7.224 -3.041 608 2HG2 ILE 75 1HG2 ILE 75 -5.590 -7.345 -1.352 609 3HG2 ILE 75 2HG2 ILE 75 -6.475 -6.273 -2.436 610 1HD1 ILE 75 3HD1 ILE 75 -3.027 -5.656 0.676 611 2HD1 ILE 75 1HD1 ILE 75 -1.530 -6.244 -0.054 612 3HD1 ILE 75 2HD1 ILE 75 -2.125 -4.651 -0.514 613 H GLY 76 H GLY 76 -3.772 -4.802 -5.523 614 1HA GLY 76 1HA GLY 76 -4.950 -5.097 -7.462 615 2HA GLY 76 2HA GLY 76 -6.180 -5.869 -6.468 616 H LYS 77 H LYS 77 -5.023 -2.576 -7.269 617 HA LYS 77 HA LYS 77 -5.917 -0.599 -7.214 618 1HB LYS 77 1HB LYS 77 -6.821 -1.876 -9.458 619 2HB LYS 77 2HB LYS 77 -8.339 -1.297 -8.762 620 1HG LYS 77 1HG LYS 77 -6.956 0.946 -8.409 621 2HG LYS 77 2HG LYS 77 -5.868 0.249 -9.596 622 1HD LYS 77 1HD LYS 77 -7.684 0.117 -11.245 623 2HD LYS 77 2HD LYS 77 -8.840 0.784 -10.090 624 1HE LYS 77 1HE LYS 77 -6.289 2.272 -10.837 625 2HE LYS 77 2HE LYS 77 -7.711 2.353 -11.865 626 1HZ LYS 77 2HZ LYS 77 -7.778 3.160 -9.017 627 2HZ LYS 77 3HZ LYS 77 -7.552 4.194 -10.283 628 3HZ LYS 77 1HZ LYS 77 -8.946 3.378 -10.137 629 H ASP 78 H ASP 78 -7.125 -2.479 -4.942 630 HA ASP 78 HA ASP 78 -9.079 -0.387 -4.147 631 1HB ASP 78 1HB ASP 78 -10.288 -2.414 -4.682 632 2HB ASP 78 2HB ASP 78 -9.189 -3.386 -3.678 633 H CYS 79 H CYS 79 -8.993 0.196 -1.970 634 HA CYS 79 HA CYS 79 -6.317 -0.116 -0.768 635 1HB CYS 79 1HB CYS 79 -7.374 2.086 -1.204 636 2HB CYS 79 2HB CYS 79 -8.623 1.742 0.000 637 HG CYS 79 HG CYS 79 -7.389 2.186 1.939 638 H ILE 80 H ILE 80 -5.922 -1.357 1.209 639 HA ILE 80 HA ILE 80 -8.273 -2.590 2.432 640 HB ILE 80 HB ILE 80 -6.774 -3.840 3.660 641 1HG1 ILE 80 1HG1 ILE 80 -4.254 -3.754 3.005 642 2HG1 ILE 80 2HG1 ILE 80 -4.617 -2.078 2.558 643 1HG2 ILE 80 1HG2 ILE 80 -7.354 -4.582 1.415 644 2HG2 ILE 80 2HG2 ILE 80 -5.883 -3.815 0.762 645 3HG2 ILE 80 3HG2 ILE 80 -5.764 -5.177 1.903 646 1HD1 ILE 80 3HD1 ILE 80 -5.203 -3.308 5.277 647 2HD1 ILE 80 1HD1 ILE 80 -3.713 -2.420 4.883 648 3HD1 ILE 80 2HD1 ILE 80 -5.261 -1.585 4.870 649 H GLY 81 H GLY 81 -6.333 0.258 2.764 650 1HA GLY 81 1HA GLY 81 -7.480 1.894 4.365 651 2HA GLY 81 2HA GLY 81 -7.229 0.623 5.574 652 H GLY 82 H GLY 82 -5.640 1.361 6.813 653 1HA GLY 82 1HA GLY 82 -3.104 2.359 5.641 654 2HA GLY 82 2HA GLY 82 -3.791 2.983 7.153 655 H CYS 83 H CYS 83 -1.879 2.204 8.344 656 HA CYS 83 HA CYS 83 -1.236 -0.596 8.058 657 1HB CYS 83 1HB CYS 83 0.375 1.400 8.767 658 2HB CYS 83 2HB CYS 83 -0.155 0.920 10.393 659 HG CYS 83 HG CYS 83 0.186 -1.692 9.897 660 H SER 84 H SER 84 -3.469 1.199 10.111 661 HA SER 84 HA SER 84 -3.341 -0.585 12.325 662 1HB SER 84 1HB SER 84 -5.698 1.111 11.330 663 2HB SER 84 2HB SER 84 -5.561 0.394 12.937 664 HG SER 84 HG SER 84 -4.155 1.790 13.523 665 H ASP 85 H ASP 85 -5.358 -0.415 9.427 666 HA ASP 85 HA ASP 85 -6.893 -2.816 9.693 667 1HB ASP 85 1HB ASP 85 -6.025 -1.014 7.404 668 2HB ASP 85 2HB ASP 85 -6.733 -2.562 7.043 669 H LEU 86 H LEU 86 -3.871 -2.084 7.896 670 HA LEU 86 HA LEU 86 -3.320 -4.590 6.959 671 1HB LEU 86 1HB LEU 86 -2.062 -2.429 6.493 672 2HB LEU 86 2HB LEU 86 -1.219 -2.694 8.027 673 HG LEU 86 HG LEU 86 -0.317 -4.848 7.160 674 1HD1 LEU 86 3HD1 LEU 86 -1.773 -4.013 4.625 675 2HD1 LEU 86 1HD1 LEU 86 -0.419 -5.171 4.649 676 3HD1 LEU 86 2HD1 LEU 86 -1.903 -5.535 5.519 677 1HD2 LEU 86 1HD2 LEU 86 0.253 -2.273 5.658 678 2HD2 LEU 86 2HD2 LEU 86 1.019 -2.879 7.128 679 3HD2 LEU 86 3HD2 LEU 86 1.295 -3.715 5.608 680 H VAL 87 H VAL 87 -2.440 -3.432 10.320 681 HA VAL 87 HA VAL 87 -0.885 -5.672 11.000 682 HB VAL 87 HB VAL 87 -2.438 -3.494 12.432 683 1HG1 VAL 87 3HG1 VAL 87 -0.832 -5.731 13.706 684 2HG1 VAL 87 1HG1 VAL 87 -1.364 -4.241 14.541 685 3HG1 VAL 87 2HG1 VAL 87 -2.564 -5.388 13.935 686 1HG2 VAL 87 3HG2 VAL 87 -0.219 -2.999 11.267 687 2HG2 VAL 87 1HG2 VAL 87 -0.286 -2.606 12.985 688 3HG2 VAL 87 2HG2 VAL 87 0.548 -4.080 12.436 689 H SER 88 H SER 88 -4.489 -4.997 11.308 690 HA SER 88 HA SER 88 -4.940 -7.528 12.617 691 1HB SER 88 1HB SER 88 -6.598 -5.324 11.618 692 2HB SER 88 2HB SER 88 -7.273 -6.895 11.154 693 HG SER 88 HG SER 88 -7.801 -5.988 13.332 694 H LEU 89 H LEU 89 -5.115 -6.483 9.124 695 HA LEU 89 HA LEU 89 -5.835 -8.971 8.103 696 1HB LEU 89 1HB LEU 89 -4.025 -6.819 6.948 697 2HB LEU 89 2HB LEU 89 -4.347 -8.301 6.118 698 HG LEU 89 HG LEU 89 -6.853 -7.781 6.407 699 1HD1 LEU 89 1HD1 LEU 89 -5.677 -5.009 6.686 700 2HD1 LEU 89 2HD1 LEU 89 -7.347 -5.350 6.202 701 3HD1 LEU 89 3HD1 LEU 89 -6.806 -5.840 7.794 702 1HD2 LEU 89 3HD2 LEU 89 -5.081 -6.248 4.453 703 2HD2 LEU 89 1HD2 LEU 89 -5.694 -7.910 4.242 704 3HD2 LEU 89 2HD2 LEU 89 -6.821 -6.554 4.250 705 H GLN 90 H GLN 90 -2.517 -7.886 9.045 706 HA GLN 90 HA GLN 90 -1.305 -10.356 8.233 707 1HB GLN 90 1HB GLN 90 -0.113 -8.205 8.477 708 2HB GLN 90 2HB GLN 90 -0.335 -8.249 10.216 709 1HG GLN 90 1HG GLN 90 0.912 -10.727 9.125 710 2HG GLN 90 2HG GLN 90 1.814 -9.266 8.773 711 1HE2 GLN 90 2HE2 GLN 90 3.342 -9.335 11.942 712 2HE2 GLN 90 1HE2 GLN 90 3.500 -9.279 10.194 713 H GLN 91 H GLN 91 -2.249 -9.161 11.542 714 HA GLN 91 HA GLN 91 -1.373 -11.421 12.880 715 1HB GLN 91 1HB GLN 91 -2.381 -8.830 13.432 716 2HB GLN 91 2HB GLN 91 -3.499 -9.886 14.242 717 1HG GLN 91 1HG GLN 91 -0.519 -10.332 14.538 718 2HG GLN 91 2HG GLN 91 -1.280 -8.945 15.288 719 1HE2 GLN 91 2HE2 GLN 91 -2.133 -12.683 16.828 720 2HE2 GLN 91 1HE2 GLN 91 -1.269 -12.573 15.315 721 H SER 92 H SER 92 -4.741 -10.395 12.133 722 HA SER 92 HA SER 92 -5.888 -12.851 13.198 723 1HB SER 92 1HB SER 92 -6.730 -10.105 12.366 724 2HB SER 92 2HB SER 92 -7.852 -11.366 11.889 725 HG SER 92 HG SER 92 -8.056 -11.984 13.997 726 H GLY 93 H GLY 93 -4.563 -11.815 10.152 727 1HA GLY 93 1HA GLY 93 -3.866 -13.498 8.732 728 2HA GLY 93 2HA GLY 93 -5.246 -14.502 9.177 729 H GLU 94 H GLU 94 -6.554 -11.436 8.471 730 HA GLU 94 HA GLU 94 -7.787 -12.449 6.109 731 1HB GLU 94 1HB GLU 94 -8.926 -10.835 7.423 732 2HB GLU 94 2HB GLU 94 -7.617 -9.671 7.291 733 1HG GLU 94 1HG GLU 94 -8.052 -9.404 4.865 734 2HG GLU 94 2HG GLU 94 -9.326 -10.633 4.960 735 H LEU 95 H LEU 95 -4.771 -10.701 6.550 736 HA LEU 95 HA LEU 95 -4.139 -9.642 4.062 737 1HB LEU 95 1HB LEU 95 -2.730 -9.634 6.124 738 2HB LEU 95 2HB LEU 95 -2.287 -11.293 5.852 739 HG LEU 95 HG LEU 95 -1.714 -9.020 3.896 740 1HD1 LEU 95 3HD1 LEU 95 -0.038 -10.065 6.214 741 2HD1 LEU 95 1HD1 LEU 95 0.542 -8.945 4.975 742 3HD1 LEU 95 2HD1 LEU 95 -0.757 -8.446 6.059 743 1HD2 LEU 95 2HD2 LEU 95 -0.471 -11.784 4.252 744 2HD2 LEU 95 3HD2 LEU 95 -1.357 -11.215 2.837 745 3HD2 LEU 95 1HD2 LEU 95 0.208 -10.513 3.213 746 H LEU 96 H LEU 96 -3.668 -13.129 5.020 747 HA LEU 96 HA LEU 96 -2.406 -13.644 2.499 748 1HB LEU 96 1HB LEU 96 -3.717 -15.565 4.494 749 2HB LEU 96 2HB LEU 96 -2.881 -16.097 3.051 750 HG LEU 96 HG LEU 96 -1.451 -16.413 4.908 751 1HD1 LEU 96 1HD1 LEU 96 -0.332 -15.717 2.832 752 2HD1 LEU 96 2HD1 LEU 96 -0.372 -14.021 3.359 753 3HD1 LEU 96 3HD1 LEU 96 0.569 -15.222 4.264 754 1HD2 LEU 96 2HD2 LEU 96 -2.410 -14.697 6.442 755 2HD2 LEU 96 3HD2 LEU 96 -0.641 -14.744 6.414 756 3HD2 LEU 96 1HD2 LEU 96 -1.489 -13.452 5.564 757 H THR 97 H THR 97 -5.807 -14.067 3.559 758 HA THR 97 HA THR 97 -6.760 -15.090 1.102 759 HB THR 97 HB THR 97 -8.217 -13.319 3.124 760 HG1 THR 97 HG1 THR 97 -8.533 -15.163 4.287 761 1HG2 THR 97 2HG2 THR 97 -9.207 -15.572 1.311 762 2HG2 THR 97 3HG2 THR 97 -10.191 -14.655 2.476 763 3HG2 THR 97 1HG2 THR 97 -9.510 -13.837 1.063 764 H ARG 98 H ARG 98 -6.629 -11.665 2.324 765 HA ARG 98 HA ARG 98 -7.803 -10.472 0.054 766 1HB ARG 98 1HB ARG 98 -6.548 -9.602 2.504 767 2HB ARG 98 2HB ARG 98 -5.787 -8.698 1.213 768 1HG ARG 98 1HG ARG 98 -8.806 -8.959 1.474 769 2HG ARG 98 2HG ARG 98 -7.892 -7.713 2.324 770 1HD ARG 98 1HD ARG 98 -7.157 -6.679 0.310 771 2HD ARG 98 2HD ARG 98 -7.706 -8.029 -0.695 772 HE ARG 98 HE ARG 98 -10.007 -7.352 0.458 773 1HH1 ARG 98 2HH2 ARG 98 -7.670 -5.072 -1.105 774 2HH1 ARG 98 1HH2 ARG 98 -8.958 -3.895 -1.290 775 1HH2 ARG 98 2HH1 ARG 98 -11.581 -5.789 -0.151 776 2HH2 ARG 98 1HH1 ARG 98 -11.027 -4.266 -0.818 777 H LEU 99 H LEU 99 -4.258 -11.186 0.673 778 HA LEU 99 HA LEU 99 -3.489 -10.087 -1.843 779 1HB LEU 99 1HB LEU 99 -2.366 -11.947 0.309 780 2HB LEU 99 2HB LEU 99 -1.482 -11.719 -1.172 781 HG LEU 99 HG LEU 99 -0.768 -10.341 0.705 782 1HD1 LEU 99 1HD1 LEU 99 -0.278 -9.799 -1.690 783 2HD1 LEU 99 2HD1 LEU 99 -1.693 -8.742 -1.720 784 3HD1 LEU 99 3HD1 LEU 99 -0.316 -8.363 -0.664 785 1HD2 LEU 99 1HD2 LEU 99 -3.295 -8.724 0.409 786 2HD2 LEU 99 2HD2 LEU 99 -2.659 -9.506 1.844 787 3HD2 LEU 99 3HD2 LEU 99 -1.803 -8.147 1.186 788 H LYS 100 H LYS 100 -4.309 -13.505 -0.823 789 HA LYS 100 HA LYS 100 -3.571 -14.346 -3.462 790 1HB LYS 100 1HB LYS 100 -4.391 -15.683 -1.087 791 2HB LYS 100 2HB LYS 100 -5.587 -16.120 -2.278 792 1HG LYS 100 1HG LYS 100 -3.024 -16.251 -3.621 793 2HG LYS 100 2HG LYS 100 -2.788 -16.919 -2.047 794 1HD LYS 100 1HD LYS 100 -3.365 -18.682 -3.611 795 2HD LYS 100 2HD LYS 100 -4.616 -18.534 -2.372 796 1HE LYS 100 1HE LYS 100 -5.537 -18.923 -4.655 797 2HE LYS 100 2HE LYS 100 -6.132 -17.421 -3.925 798 1HZ LYS 100 2HZ LYS 100 -3.830 -17.360 -5.776 799 2HZ LYS 100 3HZ LYS 100 -5.396 -17.312 -6.322 800 3HZ LYS 100 1HZ LYS 100 -4.862 -16.154 -5.345 801 H GLN 101 H GLN 101 -6.534 -13.053 -2.211 802 HA GLN 101 HA GLN 101 -8.342 -13.630 -4.244 803 1HB GLN 101 1HB GLN 101 -8.780 -12.403 -2.125 804 2HB GLN 101 2HB GLN 101 -8.004 -10.969 -2.799 805 1HG GLN 101 1HG GLN 101 -9.720 -10.655 -4.408 806 2HG GLN 101 2HG GLN 101 -10.368 -12.284 -4.135 807 1HE2 GLN 101 2HE2 GLN 101 -12.820 -10.823 -2.060 808 2HE2 GLN 101 1HE2 GLN 101 -12.477 -11.621 -3.604 809 H ILE 102 H ILE 102 -5.563 -11.318 -4.355 810 HA ILE 102 HA ILE 102 -6.347 -10.600 -7.130 811 HB ILE 102 HB ILE 102 -5.060 -8.705 -6.929 812 1HG1 ILE 102 1HG1 ILE 102 -3.956 -8.720 -4.251 813 2HG1 ILE 102 2HG1 ILE 102 -3.448 -10.161 -5.067 814 1HG2 ILE 102 1HG2 ILE 102 -7.205 -8.779 -5.621 815 2HG2 ILE 102 2HG2 ILE 102 -6.249 -9.066 -4.148 816 3HG2 ILE 102 3HG2 ILE 102 -6.036 -7.564 -5.070 817 1HD1 ILE 102 2HD1 ILE 102 -2.564 -8.850 -6.954 818 2HD1 ILE 102 3HD1 ILE 102 -3.094 -7.353 -6.143 819 3HD1 ILE 102 1HD1 ILE 102 -1.837 -8.378 -5.419 820 H GLY 103 H GLY 103 -4.898 -13.214 -6.132 821 1HA GLY 103 1HA GLY 103 -3.550 -14.710 -7.263 822 2HA GLY 103 2HA GLY 103 -3.329 -13.512 -8.535 823 H ALA 104 H ALA 104 -2.482 -13.147 -5.061 824 HA ALA 104 HA ALA 104 0.253 -12.274 -5.704 825 1HB ALA 104 2HB ALA 104 -1.298 -12.829 -3.107 826 2HB ALA 104 3HB ALA 104 0.281 -12.053 -3.205 827 3HB ALA 104 1HB ALA 104 -1.159 -11.240 -3.889 828 H LEU 105 H LEU 105 -0.921 -14.835 -3.330 829 HA LEU 105 HA LEU 105 1.746 -15.372 -2.933 830 1HB LEU 105 1HB LEU 105 -0.284 -17.421 -2.223 831 2HB LEU 105 2HB LEU 105 1.125 -16.876 -1.369 832 HG LEU 105 HG LEU 105 -1.427 -15.257 -1.535 833 1HD1 LEU 105 2HD1 LEU 105 -1.624 -17.355 -0.168 834 2HD1 LEU 105 3HD1 LEU 105 -0.234 -16.831 0.786 835 3HD1 LEU 105 1HD1 LEU 105 -1.744 -15.883 0.808 836 1HD2 LEU 105 3HD2 LEU 105 0.589 -13.835 -1.243 837 2HD2 LEU 105 1HD2 LEU 105 -0.469 -13.831 0.184 838 3HD2 LEU 105 2HD2 LEU 105 1.027 -14.783 0.186 839 H GLN 106 H GLN 106 3.138 -16.907 -3.487 840 HA GLN 106 HA GLN 106 2.684 -19.089 -5.300 841 1HB GLN 106 2HB GLN 106 2.844 -17.108 -6.831 842 2HB GLN 106 3HB GLN 106 4.319 -16.597 -5.997 843 1HG GLN 106 2HG GLN 106 5.462 -18.668 -6.686 844 2HG GLN 106 3HG GLN 106 3.975 -19.232 -7.450 845 1HE2 GLN 106 2HE2 GLN 106 5.052 -17.718 -10.482 846 2HE2 GLN 106 1HE2 GLN 106 4.003 -18.885 -9.694 No H/Q in entry = 846 Start of MODEL 6 1 1H ALA 2 2H ALA 2 -5.828 10.487 -6.593 2 2H ALA 2 3H ALA 2 -4.845 9.230 -6.251 3 3H ALA 2 1H ALA 2 -5.635 10.048 -5.018 4 HA ALA 2 HA ALA 2 -4.441 12.013 -5.543 5 1HB ALA 2 1HB ALA 2 -3.003 9.673 -4.529 6 2HB ALA 2 2HB ALA 2 -2.071 11.117 -4.999 7 3HB ALA 2 3HB ALA 2 -3.391 11.230 -3.833 8 H GLN 3 H GLN 3 -2.540 12.989 -6.625 9 HA GLN 3 HA GLN 3 -3.150 13.221 -9.246 10 1HB GLN 3 1HB GLN 3 -0.750 14.189 -9.426 11 2HB GLN 3 2HB GLN 3 -1.968 14.943 -8.413 12 1HG GLN 3 1HG GLN 3 -0.986 14.003 -6.387 13 2HG GLN 3 2HG GLN 3 0.194 13.096 -7.362 14 1HE2 GLN 3 2HE2 GLN 3 0.573 17.234 -7.145 15 2HE2 GLN 3 1HE2 GLN 3 -1.008 16.475 -6.903 16 H GLU 4 H GLU 4 -1.892 12.862 -11.224 17 HA GLU 4 HA GLU 4 -2.381 10.303 -11.716 18 1HB GLU 4 1HB GLU 4 -2.096 12.253 -13.354 19 2HB GLU 4 2HB GLU 4 -0.403 11.779 -13.469 20 1HG GLU 4 1HG GLU 4 -1.714 10.786 -15.290 21 2HG GLU 4 2HG GLU 4 -1.089 9.511 -14.251 22 H PHE 5 H PHE 5 0.929 11.270 -10.780 23 HA PHE 5 HA PHE 5 2.183 8.856 -11.441 24 1HB PHE 5 1HB PHE 5 3.303 10.890 -10.550 25 2HB PHE 5 2HB PHE 5 2.713 10.479 -8.939 26 HD1 PHE 5 1HD PHE 5 5.006 9.530 -11.703 27 HD2 PHE 5 2HD PHE 5 3.754 8.642 -7.668 28 HE1 PHE 5 1HE PHE 5 6.997 8.081 -11.402 29 HE2 PHE 5 2HE PHE 5 5.750 7.216 -7.367 30 HZ PHE 5 HZ PHE 5 7.375 6.923 -9.232 31 H VAL 6 H VAL 6 0.034 9.464 -8.625 32 HA VAL 6 HA VAL 6 0.353 6.861 -7.421 33 HB VAL 6 HB VAL 6 -1.555 9.209 -7.160 34 1HG1 VAL 6 3HG1 VAL 6 -2.348 6.427 -6.334 35 2HG1 VAL 6 1HG1 VAL 6 -2.907 7.840 -5.462 36 3HG1 VAL 6 2HG1 VAL 6 -3.288 7.675 -7.173 37 1HG2 VAL 6 1HG2 VAL 6 0.581 8.992 -5.878 38 2HG2 VAL 6 2HG2 VAL 6 -0.856 9.118 -4.865 39 3HG2 VAL 6 3HG2 VAL 6 -0.099 7.555 -5.090 40 H ASN 7 H ASN 7 -2.052 8.299 -9.673 41 HA ASN 7 HA ASN 7 -3.678 5.971 -9.674 42 1HB ASN 7 1HB ASN 7 -3.495 8.115 -11.824 43 2HB ASN 7 2HB ASN 7 -4.768 6.897 -11.677 44 1HD2 ASN 7 2HD2 ASN 7 -5.528 10.238 -9.855 45 2HD2 ASN 7 1HD2 ASN 7 -4.829 9.984 -11.458 46 H CYS 8 H CYS 8 -1.027 6.980 -11.794 47 HA CYS 8 HA CYS 8 -1.118 4.607 -13.471 48 1HB CYS 8 1HB CYS 8 -0.528 7.015 -14.175 49 2HB CYS 8 2HB CYS 8 1.036 6.738 -13.385 50 HG CYS 8 HG CYS 8 1.621 4.578 -14.657 51 H LYS 9 H LYS 9 -0.801 4.032 -10.669 52 HA LYS 9 HA LYS 9 1.466 2.193 -11.159 53 1HB LYS 9 1HB LYS 9 0.915 3.277 -8.362 54 2HB LYS 9 2HB LYS 9 2.053 1.989 -8.773 55 1HG LYS 9 1HG LYS 9 2.215 4.842 -9.668 56 2HG LYS 9 2HG LYS 9 3.113 4.200 -8.313 57 1HD LYS 9 1HD LYS 9 4.518 2.876 -9.712 58 2HD LYS 9 2HD LYS 9 3.485 3.086 -11.120 59 1HE LYS 9 1HE LYS 9 5.072 5.305 -9.754 60 2HE LYS 9 2HE LYS 9 5.493 4.493 -11.273 61 1HZ LYS 9 2HZ LYS 9 3.413 5.340 -12.205 62 2HZ LYS 9 3HZ LYS 9 3.100 6.172 -10.822 63 3HZ LYS 9 1HZ LYS 9 4.416 6.562 -11.737 64 H ILE 10 H ILE 10 -1.585 2.866 -9.167 65 HA ILE 10 HA ILE 10 -1.627 0.136 -8.448 66 HB ILE 10 HB ILE 10 -4.140 1.737 -8.539 67 1HG1 ILE 10 1HG1 ILE 10 -2.581 2.285 -6.062 68 2HG1 ILE 10 2HG1 ILE 10 -1.997 3.157 -7.471 69 1HG2 ILE 10 2HG2 ILE 10 -4.059 -0.562 -7.594 70 2HG2 ILE 10 3HG2 ILE 10 -2.841 -0.039 -6.420 71 3HG2 ILE 10 1HG2 ILE 10 -4.472 0.645 -6.351 72 1HD1 ILE 10 1HD1 ILE 10 -4.890 3.090 -6.637 73 2HD1 ILE 10 2HD1 ILE 10 -3.741 4.427 -6.344 74 3HD1 ILE 10 3HD1 ILE 10 -4.190 3.989 -8.006 75 H GLN 11 H GLN 11 -2.565 -1.559 -9.408 76 HA GLN 11 HA GLN 11 -4.533 -1.297 -11.544 77 1HB GLN 11 1HB GLN 11 -3.291 -3.180 -12.751 78 2HB GLN 11 2HB GLN 11 -2.545 -1.586 -12.889 79 1HG GLN 11 1HG GLN 11 -0.781 -2.145 -11.409 80 2HG GLN 11 2HG GLN 11 -1.686 -3.490 -10.724 81 1HE2 GLN 11 2HE2 GLN 11 -0.342 -5.938 -12.809 82 2HE2 GLN 11 1HE2 GLN 11 -1.538 -5.507 -11.617 83 HA PRO 12 HA PRO 12 -5.792 -4.990 -9.120 84 1HB PRO 12 1HB PRO 12 -6.708 -6.701 -11.101 85 2HB PRO 12 2HB PRO 12 -7.671 -5.351 -10.426 86 1HG PRO 12 1HG PRO 12 -6.029 -5.372 -12.975 87 2HG PRO 12 2HG PRO 12 -7.694 -4.759 -12.732 88 1HD PRO 12 1HD PRO 12 -5.536 -3.108 -12.736 89 2HD PRO 12 2HD PRO 12 -6.903 -2.829 -11.619 90 H GLY 13 H GLY 13 -4.846 -7.162 -8.871 91 1HA GLY 13 1HA GLY 13 -3.218 -8.804 -9.127 92 2HA GLY 13 2HA GLY 13 -2.993 -8.214 -10.765 93 H LYS 14 H LYS 14 -2.388 -5.843 -8.247 94 HA LYS 14 HA LYS 14 0.424 -6.580 -7.943 95 1HB LYS 14 1HB LYS 14 -0.173 -4.643 -9.769 96 2HB LYS 14 2HB LYS 14 -0.049 -3.643 -8.328 97 1HG LYS 14 1HG LYS 14 2.270 -4.522 -8.026 98 2HG LYS 14 2HG LYS 14 2.058 -5.570 -9.441 99 1HD LYS 14 1HD LYS 14 1.706 -3.521 -10.850 100 2HD LYS 14 2HD LYS 14 1.967 -2.515 -9.409 101 1HE LYS 14 1HE LYS 14 4.251 -3.606 -9.186 102 2HE LYS 14 2HE LYS 14 3.968 -4.368 -10.769 103 1HZ LYS 14 2HZ LYS 14 4.073 -1.464 -10.202 104 2HZ LYS 14 3HZ LYS 14 5.235 -2.301 -10.908 105 3HZ LYS 14 1HZ LYS 14 3.829 -2.152 -11.728 106 H VAL 15 H VAL 15 1.341 -5.357 -5.942 107 HA VAL 15 HA VAL 15 -0.848 -4.657 -4.069 108 HB VAL 15 HB VAL 15 1.719 -6.152 -3.393 109 1HG1 VAL 15 3HG1 VAL 15 -0.758 -5.285 -1.895 110 2HG1 VAL 15 1HG1 VAL 15 0.385 -6.476 -1.224 111 3HG1 VAL 15 2HG1 VAL 15 0.895 -4.808 -1.536 112 1HG2 VAL 15 1HG2 VAL 15 -1.093 -7.245 -3.663 113 2HG2 VAL 15 2HG2 VAL 15 0.311 -7.650 -4.676 114 3HG2 VAL 15 3HG2 VAL 15 0.322 -8.097 -2.985 115 H VAL 16 H VAL 16 -0.629 -2.484 -4.668 116 HA VAL 16 HA VAL 16 2.067 -1.261 -4.555 117 HB VAL 16 HB VAL 16 -0.613 -0.526 -5.763 118 1HG1 VAL 16 2HG1 VAL 16 1.800 1.305 -5.520 119 2HG1 VAL 16 3HG1 VAL 16 0.412 1.576 -6.597 120 3HG1 VAL 16 1HG1 VAL 16 0.186 1.592 -4.842 121 1HG2 VAL 16 3HG2 VAL 16 1.046 -2.101 -6.896 122 2HG2 VAL 16 1HG2 VAL 16 0.690 -0.638 -7.831 123 3HG2 VAL 16 2HG2 VAL 16 2.200 -0.773 -6.917 124 H VAL 17 H VAL 17 2.649 0.005 -2.862 125 HA VAL 17 HA VAL 17 0.556 0.722 -0.870 126 HB VAL 17 HB VAL 17 3.365 -0.240 -0.239 127 1HG1 VAL 17 2HG1 VAL 17 0.896 0.266 1.479 128 2HG1 VAL 17 3HG1 VAL 17 2.450 -0.374 2.073 129 3HG1 VAL 17 1HG1 VAL 17 2.327 1.272 1.428 130 1HG2 VAL 17 2HG2 VAL 17 0.780 -1.839 -0.161 131 2HG2 VAL 17 3HG2 VAL 17 2.204 -2.148 -1.174 132 3HG2 VAL 17 1HG2 VAL 17 2.340 -2.321 0.562 133 H PHE 18 H PHE 18 0.478 2.877 -0.794 134 HA PHE 18 HA PHE 18 2.775 4.428 -1.814 135 1HB PHE 18 1HB PHE 18 0.076 5.345 -0.719 136 2HB PHE 18 2HB PHE 18 1.316 6.426 -1.367 137 HD1 PHE 18 2HD PHE 18 2.307 5.862 -3.703 138 HD2 PHE 18 1HD PHE 18 -1.535 4.496 -2.286 139 HE1 PHE 18 2HE PHE 18 1.608 5.381 -6.040 140 HE2 PHE 18 1HE PHE 18 -2.224 4.066 -4.631 141 HZ PHE 18 HZ PHE 18 -0.624 4.485 -6.499 142 H ILE 19 H ILE 19 4.299 5.303 -0.464 143 HA ILE 19 HA ILE 19 4.013 5.254 2.476 144 HB ILE 19 HB ILE 19 6.144 4.061 2.672 145 1HG1 ILE 19 1HG1 ILE 19 6.306 2.820 0.031 146 2HG1 ILE 19 2HG1 ILE 19 6.531 4.548 -0.091 147 1HG2 ILE 19 1HG2 ILE 19 3.960 2.851 2.731 148 2HG2 ILE 19 2HG2 ILE 19 4.289 2.313 1.074 149 3HG2 ILE 19 3HG2 ILE 19 5.376 1.848 2.392 150 1HD1 ILE 19 1HD1 ILE 19 8.110 2.768 1.810 151 2HD1 ILE 19 2HD1 ILE 19 8.677 3.402 0.252 152 3HD1 ILE 19 3HD1 ILE 19 8.326 4.515 1.582 153 H LYS 20 H LYS 20 6.333 6.079 3.363 154 HA LYS 20 HA LYS 20 7.866 7.507 1.367 155 1HB LYS 20 1HB LYS 20 8.197 9.449 2.919 156 2HB LYS 20 2HB LYS 20 6.702 9.422 1.976 157 1HG LYS 20 1HG LYS 20 5.517 8.663 4.088 158 2HG LYS 20 2HG LYS 20 7.078 8.813 4.913 159 1HD LYS 20 1HD LYS 20 6.665 10.993 5.295 160 2HD LYS 20 2HD LYS 20 6.765 11.270 3.565 161 1HE LYS 20 1HE LYS 20 4.693 12.083 3.804 162 2HE LYS 20 2HE LYS 20 4.225 10.387 3.657 163 1HZ LYS 20 2HZ LYS 20 4.250 10.317 6.122 164 2HZ LYS 20 3HZ LYS 20 4.581 11.903 6.176 165 3HZ LYS 20 1HZ LYS 20 3.160 11.439 5.545 166 HA PRO 21 HA PRO 21 10.836 5.472 3.988 167 1HB PRO 21 1HB PRO 21 13.192 6.692 3.371 168 2HB PRO 21 2HB PRO 21 12.318 5.633 2.227 169 1HG PRO 21 1HG PRO 21 12.225 8.657 2.401 170 2HG PRO 21 2HG PRO 21 12.501 7.636 0.947 171 1HD PRO 21 1HD PRO 21 10.045 8.647 1.586 172 2HD PRO 21 2HD PRO 21 10.214 7.028 0.851 173 H THR 22 H THR 22 10.122 8.946 4.303 174 HA THR 22 HA THR 22 11.768 9.492 6.572 175 HB THR 22 HB THR 22 9.907 11.390 6.669 176 HG1 THR 22 HG1 THR 22 9.047 11.714 4.547 177 1HG2 THR 22 2HG2 THR 22 12.275 11.676 5.950 178 2HG2 THR 22 3HG2 THR 22 11.831 11.158 4.307 179 3HG2 THR 22 1HG2 THR 22 11.162 12.655 4.988 180 H CYS 23 H CSN 23 8.284 8.676 6.176 181 HA CYS 23 HA CSN 23 7.623 8.472 8.892 182 1HB CYS 23 2HB CSN 23 6.593 7.263 6.306 183 2HB CYS 23 3HB CSN 23 5.891 6.771 7.814 184 HA PRO 24 HA PRO 24 9.974 4.595 9.581 185 1HB PRO 24 1HB PRO 24 9.713 4.440 12.291 186 2HB PRO 24 2HB PRO 24 10.856 5.551 11.480 187 1HG PRO 24 1HG PRO 24 8.107 6.197 12.578 188 2HG PRO 24 2HG PRO 24 9.627 7.114 12.793 189 1HD PRO 24 1HD PRO 24 7.731 7.726 10.907 190 2HD PRO 24 2HD PRO 24 9.462 8.039 10.636 191 H TYR 25 H TYR 25 6.633 5.463 10.400 192 HA TYR 25 HA TYR 25 5.813 2.792 11.091 193 1HB TYR 25 1HB TYR 25 4.377 5.327 10.218 194 2HB TYR 25 2HB TYR 25 3.522 3.818 10.475 195 HD1 TYR 25 2HD TYR 25 3.705 2.605 12.673 196 HD2 TYR 25 1HD TYR 25 5.014 6.687 12.188 197 HE1 TYR 25 2HE TYR 25 3.457 2.953 15.080 198 HE2 TYR 25 1HE TYR 25 4.849 7.028 14.636 199 HH TYR 25 HH TYR 25 3.117 4.741 16.645 200 H CYS 26 H CYS 26 6.453 4.356 7.993 201 HA CYS 26 HA CYS 26 4.932 2.409 6.425 202 1HB CYS 26 1HB CYS 26 7.188 4.340 5.764 203 2HB CYS 26 2HB CYS 26 6.522 3.185 4.610 204 HG CYS 26 HG CYS 26 4.985 5.603 6.308 205 H ARG 27 H ARG 27 8.153 2.599 7.911 206 HA ARG 27 HA ARG 27 9.314 0.371 6.605 207 1HB ARG 27 1HB ARG 27 10.307 2.241 8.258 208 2HB ARG 27 2HB ARG 27 9.950 1.015 9.482 209 1HG ARG 27 1HG ARG 27 11.232 -0.561 7.693 210 2HG ARG 27 2HG ARG 27 11.908 0.991 7.220 211 1HD ARG 27 1HD ARG 27 12.352 1.314 9.787 212 2HD ARG 27 2HD ARG 27 12.112 -0.431 9.900 213 HE ARG 27 HE ARG 27 14.419 0.972 9.020 214 1HH1 ARG 27 2HH2 ARG 27 12.746 -2.116 8.332 215 2HH1 ARG 27 1HH2 ARG 27 14.064 -2.736 7.391 216 1HH2 ARG 27 2HH1 ARG 27 16.071 0.182 7.694 217 2HH2 ARG 27 1HH1 ARG 27 16.018 -1.428 7.066 218 H ARG 28 H ARG 28 7.083 0.566 9.384 219 HA ARG 28 HA ARG 28 7.307 -2.207 10.113 220 1HB ARG 28 1HB ARG 28 5.993 -0.572 11.488 221 2HB ARG 28 2HB ARG 28 4.835 -0.428 10.195 222 1HG ARG 28 1HG ARG 28 3.705 -2.000 11.437 223 2HG ARG 28 2HG ARG 28 4.562 -3.063 10.401 224 1HD ARG 28 1HD ARG 28 5.813 -2.307 13.070 225 2HD ARG 28 2HD ARG 28 4.489 -3.458 12.999 226 HE ARG 28 HE ARG 28 5.743 -5.036 11.933 227 1HH1 ARG 28 2HH2 ARG 28 7.804 -2.196 12.613 228 2HH1 ARG 28 1HH2 ARG 28 9.255 -3.012 12.129 229 1HH2 ARG 28 2HH1 ARG 28 7.694 -6.118 11.465 230 2HH2 ARG 28 1HH1 ARG 28 9.196 -5.284 11.420 231 H ALA 29 H ALA 29 4.955 -0.576 8.061 232 HA ALA 29 HA ALA 29 3.629 -2.831 7.116 233 1HB ALA 29 1HB ALA 29 4.188 -0.250 5.621 234 2HB ALA 29 2HB ALA 29 3.080 -1.513 5.051 235 3HB ALA 29 3HB ALA 29 2.743 -0.706 6.591 236 H GLN 30 H GLN 30 6.749 -1.504 5.804 237 HA GLN 30 HA GLN 30 7.010 -3.254 3.692 238 1HB GLN 30 1HB GLN 30 8.902 -1.726 5.497 239 2HB GLN 30 2HB GLN 30 9.590 -3.122 4.676 240 1HG GLN 30 1HG GLN 30 9.935 -1.634 3.005 241 2HG GLN 30 2HG GLN 30 8.290 -2.193 2.634 242 1HE2 GLN 30 2HE2 GLN 30 7.033 1.116 2.912 243 2HE2 GLN 30 1HE2 GLN 30 6.859 -0.523 2.265 244 H GLU 31 H GLU 31 7.947 -3.905 7.098 245 HA GLU 31 HA GLU 31 8.998 -6.495 6.302 246 1HB GLU 31 1HB GLU 31 9.092 -4.690 8.613 247 2HB GLU 31 2HB GLU 31 8.538 -6.273 9.135 248 1HG GLU 31 1HG GLU 31 10.490 -7.310 7.965 249 2HG GLU 31 2HG GLU 31 11.038 -5.692 7.506 250 H ILE 32 H ILE 32 6.103 -5.254 7.898 251 HA ILE 32 HA ILE 32 4.737 -7.664 8.476 252 HB ILE 32 HB ILE 32 4.020 -4.832 7.773 253 1HG1 ILE 32 1HG1 ILE 32 3.631 -6.694 10.158 254 2HG1 ILE 32 2HG1 ILE 32 4.696 -5.300 10.044 255 1HG2 ILE 32 1HG2 ILE 32 2.206 -6.043 6.645 256 2HG2 ILE 32 2HG2 ILE 32 1.851 -6.884 8.183 257 3HG2 ILE 32 3HG2 ILE 32 1.650 -5.121 8.013 258 1HD1 ILE 32 1HD1 ILE 32 2.535 -3.874 9.861 259 2HD1 ILE 32 2HD1 ILE 32 1.661 -5.351 10.315 260 3HD1 ILE 32 3HD1 ILE 32 2.846 -4.660 11.429 261 H LEU 33 H LEU 33 4.702 -5.695 5.420 262 HA LEU 33 HA LEU 33 3.003 -7.734 4.306 263 1HB LEU 33 1HB LEU 33 4.170 -5.190 3.154 264 2HB LEU 33 2HB LEU 33 3.583 -6.423 2.076 265 HG LEU 33 HG LEU 33 1.843 -5.025 4.177 266 1HD1 LEU 33 2HD1 LEU 33 2.447 -3.634 2.301 267 2HD1 LEU 33 3HD1 LEU 33 1.823 -4.865 1.161 268 3HD1 LEU 33 1HD1 LEU 33 0.730 -4.068 2.283 269 1HD2 LEU 33 3HD2 LEU 33 1.228 -7.229 2.137 270 2HD2 LEU 33 1HD2 LEU 33 0.965 -7.286 3.891 271 3HD2 LEU 33 2HD2 LEU 33 -0.013 -6.213 2.892 272 H SER 34 H SER 34 6.558 -6.828 3.855 273 HA SER 34 HA SER 34 6.871 -8.799 1.816 274 1HB SER 34 1HB SER 34 9.213 -8.550 2.076 275 2HB SER 34 2HB SER 34 8.462 -6.956 2.242 276 HG SER 34 HG SER 34 9.664 -6.909 3.937 277 H GLN 35 H GLN 35 6.630 -9.309 5.317 278 HA GLN 35 HA GLN 35 7.984 -11.871 5.258 279 1HB GLN 35 1HB GLN 35 6.124 -10.474 7.207 280 2HB GLN 35 2HB GLN 35 6.476 -12.191 7.386 281 1HG GLN 35 1HG GLN 35 8.894 -11.757 7.473 282 2HG GLN 35 2HG GLN 35 8.609 -10.026 7.291 283 1HE2 GLN 35 2HE2 GLN 35 7.262 -11.744 10.851 284 2HE2 GLN 35 1HE2 GLN 35 6.895 -12.511 9.350 285 H LEU 36 H LEU 36 4.797 -10.832 4.167 286 HA LEU 36 HA LEU 36 3.677 -13.519 4.360 287 1HB LEU 36 1HB LEU 36 2.678 -11.001 2.984 288 2HB LEU 36 2HB LEU 36 1.777 -12.493 3.216 289 HG LEU 36 HG LEU 36 2.740 -10.569 5.369 290 1HD1 LEU 36 3HD1 LEU 36 0.814 -9.778 4.088 291 2HD1 LEU 36 1HD1 LEU 36 -0.072 -11.270 4.472 292 3HD1 LEU 36 2HD1 LEU 36 0.385 -10.150 5.770 293 1HD2 LEU 36 2HD2 LEU 36 1.191 -13.162 5.771 294 2HD2 LEU 36 3HD2 LEU 36 2.832 -12.804 6.336 295 3HD2 LEU 36 1HD2 LEU 36 1.475 -11.921 7.007 296 HA PRO 37 HA PRO 37 5.476 -14.571 0.398 297 1HB PRO 37 1HB PRO 37 3.498 -16.487 -0.376 298 2HB PRO 37 2HB PRO 37 5.050 -16.798 0.436 299 1HG PRO 37 1HG PRO 37 2.364 -16.901 1.588 300 2HG PRO 37 2HG PRO 37 3.910 -17.427 2.289 301 1HD PRO 37 1HD PRO 37 2.402 -15.049 2.901 302 2HD PRO 37 2HD PRO 37 3.975 -15.563 3.574 303 H ILE 38 H ILE 38 5.268 -13.335 -1.515 304 HA ILE 38 HA ILE 38 2.600 -13.150 -2.770 305 HB ILE 38 HB ILE 38 4.397 -10.842 -1.692 306 1HG1 ILE 38 1HG1 ILE 38 1.815 -9.840 -1.571 307 2HG1 ILE 38 2HG1 ILE 38 1.516 -11.555 -1.295 308 1HG2 ILE 38 2HG2 ILE 38 2.483 -10.439 -3.998 309 2HG2 ILE 38 3HG2 ILE 38 3.221 -9.136 -3.040 310 3HG2 ILE 38 1HG2 ILE 38 4.254 -10.184 -3.955 311 1HD1 ILE 38 3HD1 ILE 38 3.670 -10.106 0.270 312 2HD1 ILE 38 1HD1 ILE 38 1.970 -9.895 0.680 313 3HD1 ILE 38 2HD1 ILE 38 2.684 -11.513 0.715 314 H LYS 39 H LYS 39 2.878 -12.744 -5.059 315 HA LYS 39 HA LYS 39 5.090 -13.782 -6.217 316 1HB LYS 39 1HB LYS 39 2.651 -12.438 -7.113 317 2HB LYS 39 2HB LYS 39 4.002 -12.205 -8.226 318 1HG LYS 39 1HG LYS 39 3.480 -14.953 -7.095 319 2HG LYS 39 2HG LYS 39 2.392 -14.356 -8.322 320 1HD LYS 39 1HD LYS 39 5.422 -14.615 -8.597 321 2HD LYS 39 2HD LYS 39 4.236 -15.753 -9.245 322 1HE LYS 39 1HE LYS 39 3.630 -13.013 -10.091 323 2HE LYS 39 2HE LYS 39 5.301 -13.414 -10.479 324 1HZ LYS 39 1HZ LYS 39 2.946 -15.002 -11.308 325 2HZ LYS 39 2HZ LYS 39 3.777 -13.935 -12.231 326 3HZ LYS 39 3HZ LYS 39 4.530 -15.289 -11.752 327 H GLN 40 H GLN 40 7.093 -12.976 -6.863 328 HA GLN 40 HA GLN 40 7.852 -10.667 -5.466 329 1HB GLN 40 1HB GLN 40 9.282 -12.733 -6.277 330 2HB GLN 40 2HB GLN 40 9.551 -11.774 -7.734 331 1HG GLN 40 1HG GLN 40 11.368 -11.400 -6.126 332 2HG GLN 40 2HG GLN 40 10.432 -9.907 -6.290 333 1HE2 GLN 40 2HE2 GLN 40 9.612 -9.834 -2.832 334 2HE2 GLN 40 1HE2 GLN 40 10.079 -8.918 -4.223 335 H GLY 41 H GLY 41 7.752 -8.550 -5.936 336 1HA GLY 41 1HA GLY 41 8.088 -6.654 -7.285 337 2HA GLY 41 2HA GLY 41 7.848 -7.602 -8.751 338 H LEU 42 H LEU 42 5.287 -8.677 -6.741 339 HA LEU 42 HA LEU 42 3.406 -6.740 -7.802 340 1HB LEU 42 1HB LEU 42 3.106 -8.690 -5.512 341 2HB LEU 42 2HB LEU 42 1.870 -7.721 -6.273 342 HG LEU 42 HG LEU 42 3.158 -10.226 -7.245 343 1HD1 LEU 42 1HD1 LEU 42 1.028 -10.163 -5.945 344 2HD1 LEU 42 2HD1 LEU 42 0.311 -9.218 -7.278 345 3HD1 LEU 42 3HD1 LEU 42 0.856 -10.881 -7.568 346 1HD2 LEU 42 1HD2 LEU 42 1.820 -8.225 -9.073 347 2HD2 LEU 42 2HD2 LEU 42 3.461 -8.916 -9.175 348 3HD2 LEU 42 3HD2 LEU 42 2.052 -9.950 -9.437 349 H LEU 43 H LEU 43 5.352 -7.260 -4.783 350 HA LEU 43 HA LEU 43 3.680 -5.363 -3.346 351 1HB LEU 43 1HB LEU 43 5.048 -7.544 -2.471 352 2HB LEU 43 2HB LEU 43 6.224 -6.304 -2.135 353 HG LEU 43 HG LEU 43 5.136 -6.291 -0.170 354 1HD1 LEU 43 1HD1 LEU 43 4.819 -3.987 -1.132 355 2HD1 LEU 43 2HD1 LEU 43 3.132 -4.433 -1.458 356 3HD1 LEU 43 3HD1 LEU 43 3.762 -4.435 0.195 357 1HD2 LEU 43 1HD2 LEU 43 2.647 -7.122 -1.670 358 2HD2 LEU 43 2HD2 LEU 43 3.617 -8.033 -0.518 359 3HD2 LEU 43 3HD2 LEU 43 2.609 -6.704 0.055 360 H GLU 44 H GLU 44 3.898 -3.327 -4.098 361 HA GLU 44 HA GLU 44 6.625 -2.316 -4.761 362 1HB GLU 44 1HB GLU 44 5.051 -2.975 -6.582 363 2HB GLU 44 2HB GLU 44 3.996 -1.651 -6.056 364 1HG GLU 44 1HG GLU 44 5.847 -0.059 -6.380 365 2HG GLU 44 2HG GLU 44 6.957 -1.371 -6.744 366 H PHE 45 H PHE 45 7.232 -1.138 -3.084 367 HA PHE 45 HA PHE 45 5.358 0.469 -1.522 368 1HB PHE 45 1HB PHE 45 8.363 0.036 -1.296 369 2HB PHE 45 2HB PHE 45 7.356 0.843 -0.110 370 HD1 PHE 45 1HD PHE 45 5.277 -0.569 0.794 371 HD2 PHE 45 2HD PHE 45 8.793 -2.288 -1.023 372 HE1 PHE 45 1HE PHE 45 4.839 -2.722 1.966 373 HE2 PHE 45 2HE PHE 45 8.323 -4.436 0.106 374 HZ PHE 45 HZ PHE 45 6.363 -4.655 1.622 375 H VAL 46 H VAL 46 4.672 2.212 -2.755 376 HA VAL 46 HA VAL 46 6.576 3.606 -4.498 377 HB VAL 46 HB VAL 46 3.562 3.879 -4.183 378 1HG1 VAL 46 3HG1 VAL 46 5.491 4.964 -6.290 379 2HG1 VAL 46 1HG1 VAL 46 3.729 5.117 -6.337 380 3HG1 VAL 46 2HG1 VAL 46 4.636 5.929 -5.068 381 1HG2 VAL 46 3HG2 VAL 46 5.226 2.418 -6.278 382 2HG2 VAL 46 1HG2 VAL 46 4.125 1.684 -5.095 383 3HG2 VAL 46 2HG2 VAL 46 3.473 2.709 -6.372 384 H ASP 47 H ASP 47 7.738 5.144 -3.591 385 HA ASP 47 HA ASP 47 7.215 6.580 -1.229 386 1HB ASP 47 1HB ASP 47 9.378 6.070 -2.358 387 2HB ASP 47 2HB ASP 47 9.017 7.287 -3.571 388 H ILE 48 H ILE 48 5.791 8.216 -0.865 389 HA ILE 48 HA ILE 48 4.660 9.832 -3.060 390 HB ILE 48 HB ILE 48 3.269 10.882 -1.426 391 1HG1 ILE 48 1HG1 ILE 48 4.246 9.129 0.838 392 2HG1 ILE 48 2HG1 ILE 48 4.795 10.782 0.589 393 1HG2 ILE 48 1HG2 ILE 48 2.687 8.623 -2.484 394 2HG2 ILE 48 2HG2 ILE 48 3.291 7.822 -1.025 395 3HG2 ILE 48 3HG2 ILE 48 1.862 8.867 -0.941 396 1HD1 ILE 48 1HD1 ILE 48 2.412 11.562 0.649 397 2HD1 ILE 48 2HD1 ILE 48 1.911 9.907 1.042 398 3HD1 ILE 48 3HD1 ILE 48 2.942 10.805 2.154 399 H THR 49 H THR 49 7.347 10.142 -0.857 400 HA THR 49 HA THR 49 7.141 13.087 -1.058 401 HB THR 49 HB THR 49 7.496 11.896 1.132 402 HG1 THR 49 HG1 THR 49 9.179 14.009 0.314 403 1HG2 THR 49 1HG2 THR 49 10.336 11.579 0.109 404 2HG2 THR 49 2HG2 THR 49 9.860 11.554 1.825 405 3HG2 THR 49 3HG2 THR 49 9.222 10.345 0.728 406 H ALA 50 H ALA 50 8.289 10.544 -2.820 407 HA ALA 50 HA ALA 50 10.769 10.814 -3.655 408 1HB ALA 50 3HB ALA 50 8.349 10.471 -5.475 409 2HB ALA 50 1HB ALA 50 10.020 10.066 -5.910 410 3HB ALA 50 2HB ALA 50 9.215 9.200 -4.598 411 H THR 51 H THR 51 8.223 12.878 -5.151 412 HA THR 51 HA THR 51 9.786 15.234 -5.115 413 HB THR 51 HB THR 51 10.599 13.514 -7.212 414 HG1 THR 51 HG1 THR 51 11.129 16.254 -7.309 415 1HG2 THR 51 3HG2 THR 51 9.192 15.966 -8.296 416 2HG2 THR 51 1HG2 THR 51 10.282 14.870 -9.164 417 3HG2 THR 51 2HG2 THR 51 8.717 14.270 -8.578 418 H ASN 52 H ASN 52 7.185 13.348 -6.473 419 HA ASN 52 HA ASN 52 5.776 14.970 -7.959 420 1HB ASN 52 1HB ASN 52 5.205 12.539 -6.452 421 2HB ASN 52 2HB ASN 52 3.784 13.569 -6.454 422 1HD2 ASN 52 2HD2 ASN 52 2.963 13.043 -9.850 423 2HD2 ASN 52 1HD2 ASN 52 2.684 13.987 -8.401 424 H HIS 53 H HIS 53 5.355 14.960 -4.473 425 HA HIS 53 HA HIS 53 4.691 16.905 -3.237 426 1HB HIS 53 1HB HIS 53 2.511 17.214 -5.313 427 2HB HIS 53 2HB HIS 53 2.363 17.799 -3.675 428 HD1 HIS 53 1HD HIS 53 4.421 19.525 -2.819 429 HD2 HIS 53 2HD HIS 53 3.606 19.036 -6.928 430 HE1 HIS 53 1HE HIS 53 5.297 21.613 -3.984 431 H THR 54 H THR 54 4.820 15.045 -1.987 432 HA THR 54 HA THR 54 2.966 13.193 -1.226 433 HB THR 54 HB THR 54 4.675 12.994 0.120 434 HG1 THR 54 HG1 THR 54 4.469 14.056 2.215 435 1HG2 THR 54 3HG2 THR 54 5.923 14.873 -0.621 436 2HG2 THR 54 1HG2 THR 54 4.950 15.929 0.465 437 3HG2 THR 54 2HG2 THR 54 6.044 14.673 1.123 438 H ASN 55 H ASN 55 3.021 16.412 0.014 439 HA ASN 55 HA ASN 55 0.717 16.573 1.517 440 1HB ASN 55 1HB ASN 55 2.244 18.505 1.146 441 2HB ASN 55 2HB ASN 55 1.496 18.794 -0.422 442 1HD2 ASN 55 2HD2 ASN 55 -1.304 20.529 0.968 443 2HD2 ASN 55 1HD2 ASN 55 -0.535 19.956 -0.482 444 H GLU 56 H GLU 56 0.584 17.225 -2.145 445 HA GLU 56 HA GLU 56 -2.209 17.371 -2.252 446 1HB GLU 56 1HB GLU 56 0.048 17.760 -3.835 447 2HB GLU 56 2HB GLU 56 -0.588 16.293 -4.531 448 1HG GLU 56 1HG GLU 56 -2.278 18.772 -4.003 449 2HG GLU 56 2HG GLU 56 -1.273 18.530 -5.429 450 H ILE 57 H ILE 57 0.153 14.708 -2.687 451 HA ILE 57 HA ILE 57 -1.743 12.816 -3.629 452 HB ILE 57 HB ILE 57 1.065 12.719 -2.426 453 1HG1 ILE 57 1HG1 ILE 57 0.054 11.563 -5.061 454 2HG1 ILE 57 2HG1 ILE 57 0.513 13.262 -4.855 455 1HG2 ILE 57 1HG2 ILE 57 -0.684 10.280 -2.900 456 2HG2 ILE 57 2HG2 ILE 57 1.076 10.204 -2.873 457 3HG2 ILE 57 3HG2 ILE 57 0.208 10.729 -1.434 458 1HD1 ILE 57 1HD1 ILE 57 2.787 12.655 -4.256 459 2HD1 ILE 57 2HD1 ILE 57 2.409 10.925 -4.418 460 3HD1 ILE 57 3HD1 ILE 57 2.322 11.975 -5.831 461 H GLN 58 H GLN 58 -0.852 13.887 -0.398 462 HA GLN 58 HA GLN 58 -2.080 11.766 1.100 463 1HB GLN 58 1HB GLN 58 -1.019 14.576 1.599 464 2HB GLN 58 2HB GLN 58 -2.094 13.871 2.796 465 1HG GLN 58 1HG GLN 58 0.530 12.636 1.898 466 2HG GLN 58 2HG GLN 58 0.276 13.608 3.331 467 1HE2 GLN 58 2HE2 GLN 58 -1.084 9.719 3.275 468 2HE2 GLN 58 1HE2 GLN 58 -0.219 10.416 1.918 469 H ASP 59 H ASP 59 -3.119 15.110 0.250 470 HA ASP 59 HA ASP 59 -5.758 15.116 1.197 471 1HB ASP 59 1HB ASP 59 -4.370 16.973 0.133 472 2HB ASP 59 2HB ASP 59 -4.745 16.339 -1.417 473 H TYR 60 H TYR 60 -4.653 14.494 -2.019 474 HA TYR 60 HA TYR 60 -7.182 13.324 -2.863 475 1HB TYR 60 1HB TYR 60 -5.728 14.758 -4.249 476 2HB TYR 60 2HB TYR 60 -4.568 13.491 -4.344 477 HD1 TYR 60 2HD TYR 60 -7.977 12.101 -4.686 478 HD2 TYR 60 1HD TYR 60 -4.811 14.132 -6.811 479 HE1 TYR 60 2HE TYR 60 -8.577 10.891 -6.706 480 HE2 TYR 60 1HE TYR 60 -5.457 12.951 -8.878 481 HH TYR 60 HH TYR 60 -8.298 10.830 -9.099 482 H LEU 61 H LEU 61 -4.833 11.746 -0.934 483 HA LEU 61 HA LEU 61 -5.825 9.092 -1.842 484 1HB LEU 61 1HB LEU 61 -3.871 9.975 0.291 485 2HB LEU 61 2HB LEU 61 -4.641 8.404 0.395 486 HG LEU 61 HG LEU 61 -3.195 9.284 -2.102 487 1HD1 LEU 61 3HD1 LEU 61 -2.018 7.802 0.308 488 2HD1 LEU 61 1HD1 LEU 61 -1.198 8.053 -1.255 489 3HD1 LEU 61 2HD1 LEU 61 -1.592 9.438 -0.227 490 1HD2 LEU 61 2HD2 LEU 61 -4.687 7.307 -2.283 491 2HD2 LEU 61 3HD2 LEU 61 -2.983 6.857 -2.475 492 3HD2 LEU 61 1HD2 LEU 61 -3.826 6.537 -0.940 493 H GLN 62 H GLN 62 -6.195 11.515 0.722 494 HA GLN 62 HA GLN 62 -8.109 10.272 2.383 495 1HB GLN 62 1HB GLN 62 -6.905 12.718 2.380 496 2HB GLN 62 2HB GLN 62 -8.375 13.160 1.548 497 1HG GLN 62 1HG GLN 62 -9.722 12.397 3.447 498 2HG GLN 62 2HG GLN 62 -8.250 12.011 4.334 499 1HE2 GLN 62 2HE2 GLN 62 -9.110 16.004 3.399 500 2HE2 GLN 62 1HE2 GLN 62 -9.872 14.677 2.542 501 H GLN 63 H GLN 63 -8.586 12.248 -0.577 502 HA GLN 63 HA GLN 63 -11.337 11.537 -0.735 503 1HB GLN 63 1HB GLN 63 -9.769 13.373 -2.034 504 2HB GLN 63 2HB GLN 63 -9.984 12.187 -3.317 505 1HG GLN 63 1HG GLN 63 -12.126 13.695 -1.765 506 2HG GLN 63 2HG GLN 63 -11.769 13.809 -3.490 507 1HE2 GLN 63 2HE2 GLN 63 -14.345 10.955 -2.069 508 2HE2 GLN 63 1HE2 GLN 63 -13.807 12.327 -1.162 509 H LEU 64 H LEU 64 -8.541 10.223 -2.651 510 HA LEU 64 HA LEU 64 -10.157 8.615 -4.261 511 1HB LEU 64 1HB LEU 64 -7.984 9.157 -5.050 512 2HB LEU 64 2HB LEU 64 -7.257 8.587 -3.545 513 HG LEU 64 HG LEU 64 -7.633 6.232 -4.176 514 1HD1 LEU 64 3HD1 LEU 64 -8.305 7.503 -6.887 515 2HD1 LEU 64 1HD1 LEU 64 -7.976 5.781 -6.616 516 3HD1 LEU 64 2HD1 LEU 64 -9.391 6.527 -5.878 517 1HD2 LEU 64 1HD2 LEU 64 -5.449 7.502 -4.559 518 2HD2 LEU 64 2HD2 LEU 64 -5.730 6.086 -5.575 519 3HD2 LEU 64 3HD2 LEU 64 -5.983 7.677 -6.270 520 H THR 65 H THR 65 -8.967 7.868 -1.021 521 HA THR 65 HA THR 65 -10.143 5.137 -1.277 522 HB THR 65 HB THR 65 -8.439 4.238 0.079 523 HG1 THR 65 HG1 THR 65 -7.476 6.889 0.429 524 1HG2 THR 65 1HG2 THR 65 -7.882 4.555 -2.313 525 2HG2 THR 65 2HG2 THR 65 -7.023 6.067 -1.905 526 3HG2 THR 65 3HG2 THR 65 -6.437 4.530 -1.277 527 H GLY 66 H GLY 66 -10.223 8.113 0.664 528 1HA GLY 66 1HA GLY 66 -12.125 8.457 2.000 529 2HA GLY 66 2HA GLY 66 -12.172 6.751 2.434 530 H ALA 67 H ALA 67 -8.916 7.510 2.497 531 HA ALA 67 HA ALA 67 -8.688 9.113 4.858 532 1HB ALA 67 2HB ALA 67 -8.208 6.105 4.991 533 2HB ALA 67 3HB ALA 67 -7.443 7.247 6.119 534 3HB ALA 67 1HB ALA 67 -9.212 7.108 6.061 535 H ARG 68 H ARG 68 -6.302 9.498 5.235 536 HA ARG 68 HA ARG 68 -4.892 9.185 2.593 537 1HB ARG 68 1HB ARG 68 -3.633 11.136 3.071 538 2HB ARG 68 2HB ARG 68 -5.348 11.486 3.151 539 1HG ARG 68 1HG ARG 68 -3.859 10.932 5.721 540 2HG ARG 68 2HG ARG 68 -3.621 12.470 4.892 541 1HD ARG 68 1HD ARG 68 -5.824 13.158 5.132 542 2HD ARG 68 2HD ARG 68 -6.427 11.526 5.375 543 HE ARG 68 HE ARG 68 -6.081 11.663 7.572 544 1HH1 ARG 68 2HH2 ARG 68 -4.413 14.417 6.071 545 2HH1 ARG 68 1HH2 ARG 68 -3.789 15.034 7.559 546 1HH2 ARG 68 2HH1 ARG 68 -5.339 12.525 9.581 547 2HH2 ARG 68 1HH1 ARG 68 -4.217 13.847 9.604 548 H THR 69 H THR 69 -4.577 8.242 5.931 549 HA THR 69 HA THR 69 -1.928 8.776 6.391 550 HB THR 69 HB THR 69 -2.274 6.692 7.997 551 HG1 THR 69 HG1 THR 69 -4.752 6.589 8.221 552 1HG2 THR 69 1HG2 THR 69 -2.451 9.089 8.647 553 2HG2 THR 69 2HG2 THR 69 -4.160 9.094 8.147 554 3HG2 THR 69 3HG2 THR 69 -3.611 8.062 9.492 555 H VAL 70 H VAL 70 -0.041 7.904 6.107 556 HA VAL 70 HA VAL 70 0.160 5.600 4.266 557 HB VAL 70 HB VAL 70 2.624 6.399 4.162 558 1HG1 VAL 70 2HG1 VAL 70 1.008 6.418 2.297 559 2HG1 VAL 70 3HG1 VAL 70 0.412 7.995 2.822 560 3HG1 VAL 70 1HG1 VAL 70 2.092 7.814 2.250 561 1HG2 VAL 70 3HG2 VAL 70 2.433 8.149 5.953 562 2HG2 VAL 70 1HG2 VAL 70 2.994 8.780 4.396 563 3HG2 VAL 70 2HG2 VAL 70 1.322 9.065 4.909 564 HA PRO 71 HA PRO 71 2.128 3.972 3.910 565 1HB PRO 71 1HB PRO 71 1.943 1.279 4.480 566 2HB PRO 71 2HB PRO 71 3.415 2.237 4.806 567 1HG PRO 71 1HG PRO 71 1.209 1.504 6.748 568 2HG PRO 71 2HG PRO 71 2.984 1.409 6.999 569 1HD PRO 71 1HD PRO 71 1.544 3.476 7.939 570 2HD PRO 71 2HD PRO 71 3.190 3.708 7.300 571 H ARG 72 H ARG 72 0.586 3.257 2.345 572 HA ARG 72 HA ARG 72 -2.194 2.755 3.340 573 1HB ARG 72 1HB ARG 72 -1.775 5.129 2.634 574 2HB ARG 72 2HB ARG 72 -1.336 4.573 1.037 575 1HG ARG 72 1HG ARG 72 -3.480 4.296 0.394 576 2HG ARG 72 2HG ARG 72 -3.939 3.481 1.893 577 1HD ARG 72 1HD ARG 72 -3.563 6.497 1.746 578 2HD ARG 72 2HD ARG 72 -5.101 5.710 1.396 579 HE ARG 72 HE ARG 72 -3.647 5.748 3.988 580 1HH1 ARG 72 2HH2 ARG 72 -6.728 5.067 2.316 581 2HH1 ARG 72 1HH2 ARG 72 -7.433 4.279 3.688 582 1HH2 ARG 72 2HH1 ARG 72 -4.821 5.268 5.905 583 2HH2 ARG 72 1HH1 ARG 72 -6.374 4.488 5.767 584 H VAL 73 H VAL 73 -2.580 0.643 2.756 585 HA VAL 73 HA VAL 73 -1.057 -0.492 0.500 586 HB VAL 73 HB VAL 73 -2.817 -1.736 2.644 587 1HG1 VAL 73 2HG1 VAL 73 -1.238 -3.111 0.399 588 2HG1 VAL 73 3HG1 VAL 73 -1.965 -3.941 1.793 589 3HG1 VAL 73 1HG1 VAL 73 -2.985 -3.138 0.616 590 1HG2 VAL 73 2HG2 VAL 73 0.200 -1.724 2.230 591 2HG2 VAL 73 3HG2 VAL 73 -0.702 -0.929 3.550 592 3HG2 VAL 73 1HG2 VAL 73 -0.630 -2.682 3.420 593 H PHE 74 H PHE 74 -1.846 -0.740 -1.445 594 HA PHE 74 HA PHE 74 -4.739 -1.120 -1.889 595 1HB PHE 74 1HB PHE 74 -2.570 -0.025 -3.696 596 2HB PHE 74 2HB PHE 74 -3.926 -0.907 -4.348 597 HD1 PHE 74 1HD PHE 74 -6.236 -0.137 -4.047 598 HD2 PHE 74 2HD PHE 74 -2.862 2.306 -3.001 599 HE1 PHE 74 1HE PHE 74 -7.633 1.873 -4.364 600 HE2 PHE 74 2HE PHE 74 -4.255 4.356 -3.334 601 HZ PHE 74 HZ PHE 74 -6.612 4.136 -4.101 602 H ILE 75 H ILE 75 -5.037 -3.288 -1.742 603 HA ILE 75 HA ILE 75 -3.074 -5.111 -3.060 604 HB ILE 75 HB ILE 75 -5.041 -5.513 -0.878 605 1HG1 ILE 75 1HG1 ILE 75 -3.583 -7.646 -0.641 606 2HG1 ILE 75 2HG1 ILE 75 -2.560 -6.905 -1.890 607 1HG2 ILE 75 1HG2 ILE 75 -4.834 -7.528 -3.176 608 2HG2 ILE 75 2HG2 ILE 75 -5.541 -7.879 -1.607 609 3HG2 ILE 75 3HG2 ILE 75 -6.318 -6.701 -2.652 610 1HD1 ILE 75 3HD1 ILE 75 -2.196 -5.044 -0.398 611 2HD1 ILE 75 1HD1 ILE 75 -3.184 -5.851 0.854 612 3HD1 ILE 75 2HD1 ILE 75 -1.662 -6.590 0.287 613 H GLY 76 H GLY 76 -3.403 -5.089 -5.204 614 1HA GLY 76 1HA GLY 76 -4.357 -4.851 -7.240 615 2HA GLY 76 2HA GLY 76 -5.532 -5.991 -6.585 616 H LYS 77 H LYS 77 -4.844 -2.516 -6.731 617 HA LYS 77 HA LYS 77 -6.137 -0.656 -6.543 618 1HB LYS 77 1HB LYS 77 -6.757 -2.142 -8.881 619 2HB LYS 77 2HB LYS 77 -8.307 -1.583 -8.282 620 1HG LYS 77 1HG LYS 77 -7.133 0.727 -7.982 621 2HG LYS 77 2HG LYS 77 -5.816 0.039 -8.948 622 1HD LYS 77 1HD LYS 77 -7.417 -0.341 -10.827 623 2HD LYS 77 2HD LYS 77 -8.690 0.435 -9.855 624 1HE LYS 77 1HE LYS 77 -7.246 2.468 -9.627 625 2HE LYS 77 2HE LYS 77 -6.022 1.702 -10.645 626 1HZ LYS 77 2HZ LYS 77 -7.675 1.682 -12.439 627 2HZ LYS 77 3HZ LYS 77 -8.751 2.474 -11.469 628 3HZ LYS 77 1HZ LYS 77 -7.360 3.203 -11.900 629 H ASP 78 H ASP 78 -7.044 -2.902 -4.493 630 HA ASP 78 HA ASP 78 -9.398 -1.288 -3.649 631 1HB ASP 78 1HB ASP 78 -9.824 -3.743 -4.015 632 2HB ASP 78 2HB ASP 78 -8.671 -4.088 -2.722 633 H CYS 79 H CYS 79 -8.956 0.018 -1.933 634 HA CYS 79 HA CYS 79 -6.260 -0.091 -0.760 635 1HB CYS 79 1HB CYS 79 -7.240 2.063 -1.607 636 2HB CYS 79 2HB CYS 79 -8.405 2.000 -0.271 637 HG CYS 79 HG CYS 79 -6.528 3.646 0.386 638 H ILE 80 H ILE 80 -6.074 -1.591 0.968 639 HA ILE 80 HA ILE 80 -8.517 -2.246 2.386 640 HB ILE 80 HB ILE 80 -7.349 -4.097 3.185 641 1HG1 ILE 80 1HG1 ILE 80 -4.978 -4.620 2.524 642 2HG1 ILE 80 2HG1 ILE 80 -4.766 -2.919 2.107 643 1HG2 ILE 80 1HG2 ILE 80 -8.104 -4.051 0.782 644 2HG2 ILE 80 2HG2 ILE 80 -6.428 -3.753 0.312 645 3HG2 ILE 80 3HG2 ILE 80 -6.852 -5.252 1.163 646 1HD1 ILE 80 1HD1 ILE 80 -5.775 -3.645 4.861 647 2HD1 ILE 80 2HD1 ILE 80 -4.075 -3.902 4.473 648 3HD1 ILE 80 3HD1 ILE 80 -4.762 -2.271 4.363 649 H GLY 81 H GLY 81 -6.054 0.066 2.902 650 1HA GLY 81 1HA GLY 81 -7.018 1.580 4.688 651 2HA GLY 81 2HA GLY 81 -6.749 0.228 5.796 652 H GLY 82 H GLY 82 -5.480 1.804 6.950 653 1HA GLY 82 1HA GLY 82 -2.775 2.311 5.908 654 2HA GLY 82 2HA GLY 82 -3.525 3.131 7.296 655 H CYS 83 H CYS 83 -1.690 2.411 8.705 656 HA CYS 83 HA CYS 83 -0.741 -0.283 8.434 657 1HB CYS 83 1HB CYS 83 0.384 2.090 9.288 658 2HB CYS 83 2HB CYS 83 0.074 1.277 10.827 659 HG CYS 83 HG CYS 83 2.532 0.855 10.139 660 H SER 84 H SER 84 -2.808 1.484 10.798 661 HA SER 84 HA SER 84 -2.714 -0.616 12.665 662 1HB SER 84 1HB SER 84 -4.889 1.494 12.364 663 2HB SER 84 2HB SER 84 -4.594 0.494 13.795 664 HG SER 84 HG SER 84 -3.417 2.204 14.280 665 H ASP 85 H ASP 85 -4.823 0.059 9.931 666 HA ASP 85 HA ASP 85 -6.712 -2.116 10.331 667 1HB ASP 85 1HB ASP 85 -5.941 -0.349 7.976 668 2HB ASP 85 2HB ASP 85 -7.038 -1.711 7.787 669 H LEU 86 H LEU 86 -3.796 -1.621 8.326 670 HA LEU 86 HA LEU 86 -3.621 -4.028 7.020 671 1HB LEU 86 1HB LEU 86 -2.178 -2.047 6.632 672 2HB LEU 86 2HB LEU 86 -1.366 -2.343 8.172 673 HG LEU 86 HG LEU 86 -0.502 -4.511 7.287 674 1HD1 LEU 86 1HD1 LEU 86 -1.954 -3.528 4.805 675 2HD1 LEU 86 2HD1 LEU 86 -0.668 -4.762 4.757 676 3HD1 LEU 86 3HD1 LEU 86 -2.177 -5.053 5.653 677 1HD2 LEU 86 2HD2 LEU 86 0.119 -2.010 5.652 678 2HD2 LEU 86 3HD2 LEU 86 0.858 -2.479 7.194 679 3HD2 LEU 86 1HD2 LEU 86 1.142 -3.464 5.755 680 H VAL 87 H VAL 87 -2.338 -3.333 10.399 681 HA VAL 87 HA VAL 87 -1.118 -5.784 10.791 682 HB VAL 87 HB VAL 87 -2.402 -3.655 12.547 683 1HG1 VAL 87 1HG1 VAL 87 -0.971 -6.196 13.377 684 2HG1 VAL 87 2HG1 VAL 87 -1.271 -4.790 14.457 685 3HG1 VAL 87 3HG1 VAL 87 -2.640 -5.712 13.799 686 1HG2 VAL 87 2HG2 VAL 87 -0.180 -3.210 11.360 687 2HG2 VAL 87 3HG2 VAL 87 -0.126 -3.126 13.135 688 3HG2 VAL 87 1HG2 VAL 87 0.502 -4.553 12.289 689 H SER 88 H SER 88 -4.658 -4.847 11.149 690 HA SER 88 HA SER 88 -5.330 -7.257 12.607 691 1HB SER 88 1HB SER 88 -6.879 -5.164 11.074 692 2HB SER 88 2HB SER 88 -7.537 -6.785 11.016 693 HG SER 88 HG SER 88 -7.652 -6.969 13.188 694 H LEU 89 H LEU 89 -5.433 -6.254 9.134 695 HA LEU 89 HA LEU 89 -6.495 -8.704 8.221 696 1HB LEU 89 1HB LEU 89 -4.746 -6.683 6.743 697 2HB LEU 89 2HB LEU 89 -5.405 -8.129 6.025 698 HG LEU 89 HG LEU 89 -7.743 -7.269 6.766 699 1HD1 LEU 89 2HD1 LEU 89 -6.148 -4.700 6.859 700 2HD1 LEU 89 3HD1 LEU 89 -7.903 -4.775 6.586 701 3HD1 LEU 89 1HD1 LEU 89 -7.222 -5.388 8.099 702 1HD2 LEU 89 1HD2 LEU 89 -6.142 -6.046 4.481 703 2HD2 LEU 89 2HD2 LEU 89 -7.053 -7.575 4.448 704 3HD2 LEU 89 3HD2 LEU 89 -7.918 -6.050 4.606 705 H GLN 90 H GLN 90 -3.074 -7.711 8.749 706 HA GLN 90 HA GLN 90 -1.960 -10.119 7.679 707 1HB GLN 90 1HB GLN 90 -0.746 -7.994 7.975 708 2HB GLN 90 2HB GLN 90 -0.884 -8.138 9.716 709 1HG GLN 90 1HG GLN 90 0.321 -10.564 8.587 710 2HG GLN 90 2HG GLN 90 1.169 -9.138 7.994 711 1HE2 GLN 90 2HE2 GLN 90 2.001 -10.381 11.681 712 2HE2 GLN 90 1HE2 GLN 90 1.533 -11.393 10.324 713 H GLN 91 H GLN 91 -2.561 -9.178 11.159 714 HA GLN 91 HA GLN 91 -1.670 -11.600 12.220 715 1HB GLN 91 1HB GLN 91 -2.604 -9.019 13.081 716 2HB GLN 91 2HB GLN 91 -3.656 -10.151 13.854 717 1HG GLN 91 1HG GLN 91 -0.859 -10.995 14.089 718 2HG GLN 91 2HG GLN 91 -1.049 -9.315 14.539 719 1HE2 GLN 91 2HE2 GLN 91 -2.629 -10.041 17.631 720 2HE2 GLN 91 1HE2 GLN 91 -1.886 -8.851 16.563 721 H SER 92 H SER 92 -5.028 -10.429 11.676 722 HA SER 92 HA SER 92 -6.299 -12.913 12.466 723 1HB SER 92 1HB SER 92 -7.266 -10.564 12.598 724 2HB SER 92 2HB SER 92 -7.455 -10.609 10.841 725 HG SER 92 HG SER 92 -8.952 -12.166 11.014 726 H GLY 93 H GLY 93 -4.456 -12.047 9.710 727 1HA GLY 93 1HA GLY 93 -4.017 -13.204 7.858 728 2HA GLY 93 2HA GLY 93 -5.088 -14.495 8.419 729 H GLU 94 H GLU 94 -6.656 -11.253 8.029 730 HA GLU 94 HA GLU 94 -8.336 -12.284 5.935 731 1HB GLU 94 1HB GLU 94 -8.672 -10.337 7.668 732 2HB GLU 94 2HB GLU 94 -7.632 -9.421 6.594 733 1HG GLU 94 1HG GLU 94 -9.595 -8.718 5.754 734 2HG GLU 94 2HG GLU 94 -9.441 -10.162 4.745 735 H LEU 95 H LEU 95 -5.292 -10.562 6.122 736 HA LEU 95 HA LEU 95 -5.185 -9.340 3.597 737 1HB LEU 95 1HB LEU 95 -3.510 -9.553 5.844 738 2HB LEU 95 2HB LEU 95 -2.569 -10.338 4.615 739 HG LEU 95 HG LEU 95 -3.793 -7.567 4.371 740 1HD1 LEU 95 3HD1 LEU 95 -1.051 -8.521 5.255 741 2HD1 LEU 95 1HD1 LEU 95 -1.350 -6.887 4.697 742 3HD1 LEU 95 2HD1 LEU 95 -2.193 -7.486 6.133 743 1HD2 LEU 95 3HD2 LEU 95 -1.694 -8.930 2.674 744 2HD2 LEU 95 1HD2 LEU 95 -3.356 -8.518 2.167 745 3HD2 LEU 95 2HD2 LEU 95 -2.196 -7.237 2.534 746 H LEU 96 H LEU 96 -4.302 -12.602 4.644 747 HA LEU 96 HA LEU 96 -2.857 -13.298 2.256 748 1HB LEU 96 1HB LEU 96 -4.120 -15.063 4.406 749 2HB LEU 96 2HB LEU 96 -3.204 -15.668 3.043 750 HG LEU 96 HG LEU 96 -1.664 -15.693 4.759 751 1HD1 LEU 96 1HD1 LEU 96 -0.802 -14.598 2.706 752 2HD1 LEU 96 2HD1 LEU 96 -1.033 -13.016 3.480 753 3HD1 LEU 96 3HD1 LEU 96 0.091 -14.214 4.161 754 1HD2 LEU 96 3HD2 LEU 96 -2.877 -14.394 6.420 755 2HD2 LEU 96 1HD2 LEU 96 -1.179 -13.935 6.346 756 3HD2 LEU 96 2HD2 LEU 96 -2.394 -12.868 5.623 757 H THR 97 H THR 97 -6.369 -13.650 3.152 758 HA THR 97 HA THR 97 -6.995 -15.014 0.694 759 HB THR 97 HB THR 97 -8.997 -13.109 1.816 760 HG1 THR 97 HG1 THR 97 -9.178 -13.839 3.717 761 1HG2 THR 97 3HG2 THR 97 -9.512 -14.900 0.205 762 2HG2 THR 97 1HG2 THR 97 -9.032 -16.127 1.391 763 3HG2 THR 97 2HG2 THR 97 -10.438 -15.080 1.708 764 H ARG 98 H ARG 98 -7.002 -11.569 1.699 765 HA ARG 98 HA ARG 98 -7.967 -10.427 -0.673 766 1HB ARG 98 1HB ARG 98 -6.639 -9.574 1.784 767 2HB ARG 98 2HB ARG 98 -5.928 -8.690 0.453 768 1HG ARG 98 1HG ARG 98 -8.926 -8.938 0.918 769 2HG ARG 98 2HG ARG 98 -7.914 -7.631 1.576 770 1HD ARG 98 1HD ARG 98 -7.555 -6.630 -0.470 771 2HD ARG 98 2HD ARG 98 -7.735 -8.128 -1.363 772 HE ARG 98 HE ARG 98 -9.759 -7.448 -1.862 773 1HH1 ARG 98 2HH2 ARG 98 -9.430 -6.399 1.560 774 2HH1 ARG 98 1HH2 ARG 98 -10.566 -5.096 1.345 775 1HH2 ARG 98 2HH1 ARG 98 -11.583 -6.059 -1.876 776 2HH2 ARG 98 1HH1 ARG 98 -11.904 -5.021 -0.522 777 H LEU 99 H LEU 99 -4.606 -11.079 0.215 778 HA LEU 99 HA LEU 99 -3.370 -10.311 -2.237 779 1HB LEU 99 1HB LEU 99 -2.707 -12.223 0.054 780 2HB LEU 99 2HB LEU 99 -1.604 -12.029 -1.286 781 HG LEU 99 HG LEU 99 -2.471 -9.723 0.460 782 1HD1 LEU 99 2HD1 LEU 99 -0.024 -11.553 0.575 783 2HD1 LEU 99 3HD1 LEU 99 -0.168 -10.025 1.462 784 3HD1 LEU 99 1HD1 LEU 99 -1.275 -11.356 1.813 785 1HD2 LEU 99 2HD2 LEU 99 -0.353 -10.073 -1.678 786 2HD2 LEU 99 3HD2 LEU 99 -1.722 -8.976 -1.707 787 3HD2 LEU 99 1HD2 LEU 99 -0.407 -8.691 -0.554 788 H LYS 100 H LYS 100 -4.571 -13.547 -1.123 789 HA LYS 100 HA LYS 100 -3.713 -14.814 -3.545 790 1HB LYS 100 1HB LYS 100 -5.606 -15.501 -1.293 791 2HB LYS 100 2HB LYS 100 -5.627 -16.488 -2.740 792 1HG LYS 100 1HG LYS 100 -3.130 -16.700 -2.649 793 2HG LYS 100 2HG LYS 100 -3.110 -15.762 -1.174 794 1HD LYS 100 1HD LYS 100 -4.538 -18.455 -1.508 795 2HD LYS 100 2HD LYS 100 -2.945 -18.232 -0.774 796 1HE LYS 100 1HE LYS 100 -4.011 -16.657 0.904 797 2HE LYS 100 2HE LYS 100 -5.594 -17.100 0.240 798 1HZ LYS 100 2HZ LYS 100 -3.689 -19.022 1.437 799 2HZ LYS 100 3HZ LYS 100 -4.999 -18.394 2.211 800 3HZ LYS 100 1HZ LYS 100 -5.206 -19.365 0.918 801 H GLN 101 H GLN 101 -6.748 -13.119 -2.775 802 HA GLN 101 HA GLN 101 -8.187 -13.766 -5.049 803 1HB GLN 101 1HB GLN 101 -8.708 -12.229 -2.963 804 2HB GLN 101 2HB GLN 101 -8.140 -10.923 -4.015 805 1HG GLN 101 1HG GLN 101 -9.854 -11.662 -5.716 806 2HG GLN 101 2HG GLN 101 -10.430 -12.858 -4.553 807 1HE2 GLN 101 2HE2 GLN 101 -12.609 -9.805 -4.273 808 2HE2 GLN 101 1HE2 GLN 101 -12.188 -10.911 -5.566 809 H ILE 102 H ILE 102 -5.357 -11.524 -4.816 810 HA ILE 102 HA ILE 102 -5.761 -10.780 -7.648 811 HB ILE 102 HB ILE 102 -4.443 -8.920 -7.278 812 1HG1 ILE 102 1HG1 ILE 102 -3.652 -9.002 -4.494 813 2HG1 ILE 102 2HG1 ILE 102 -3.128 -10.464 -5.261 814 1HG2 ILE 102 2HG2 ILE 102 -6.661 -8.732 -6.316 815 2HG2 ILE 102 3HG2 ILE 102 -6.055 -9.287 -4.734 816 3HG2 ILE 102 1HG2 ILE 102 -5.480 -7.766 -5.405 817 1HD1 ILE 102 1HD1 ILE 102 -2.034 -9.153 -7.076 818 2HD1 ILE 102 2HD1 ILE 102 -2.478 -7.673 -6.190 819 3HD1 ILE 102 3HD1 ILE 102 -1.374 -8.871 -5.467 820 H GLY 103 H GLY 103 -4.307 -13.403 -6.361 821 1HA GLY 103 1HA GLY 103 -2.880 -14.872 -7.429 822 2HA GLY 103 2HA GLY 103 -2.601 -13.683 -8.701 823 H ALA 104 H ALA 104 -2.056 -13.314 -5.216 824 HA ALA 104 HA ALA 104 0.747 -12.430 -5.569 825 1HB ALA 104 2HB ALA 104 -1.161 -12.897 -3.189 826 2HB ALA 104 3HB ALA 104 0.399 -12.098 -3.057 827 3HB ALA 104 1HB ALA 104 -0.932 -11.335 -3.983 828 H LEU 105 H LEU 105 -0.638 -14.731 -3.173 829 HA LEU 105 HA LEU 105 1.768 -15.393 -2.130 830 1HB LEU 105 1HB LEU 105 -0.966 -16.600 -2.074 831 2HB LEU 105 2HB LEU 105 0.339 -17.644 -1.579 832 HG LEU 105 HG LEU 105 1.142 -15.917 0.003 833 1HD1 LEU 105 2HD1 LEU 105 -0.066 -13.941 -1.066 834 2HD1 LEU 105 3HD1 LEU 105 -1.570 -14.550 -0.339 835 3HD1 LEU 105 1HD1 LEU 105 -0.201 -14.060 0.668 836 1HD2 LEU 105 1HD2 LEU 105 -0.253 -17.875 0.634 837 2HD2 LEU 105 2HD2 LEU 105 -0.340 -16.519 1.746 838 3HD2 LEU 105 3HD2 LEU 105 -1.680 -16.809 0.615 839 H GLN 106 H GLN 106 0.821 -16.405 -4.946 840 HA GLN 106 HA GLN 106 0.776 -18.511 -6.225 841 1HB GLN 106 2HB GLN 106 2.208 -16.701 -6.992 842 2HB GLN 106 3HB GLN 106 3.571 -17.331 -6.078 843 1HG GLN 106 2HG GLN 106 2.529 -19.393 -7.878 844 2HG GLN 106 3HG GLN 106 2.706 -17.888 -8.762 845 1HE2 GLN 106 2HE2 GLN 106 6.117 -19.614 -7.064 846 2HE2 GLN 106 1HE2 GLN 106 4.581 -19.486 -6.209 No H/Q in entry = 846 Start of MODEL 7 1 1H ALA 2 1H ALA 2 -2.888 15.112 -6.402 2 2H ALA 2 2H ALA 2 -1.813 16.215 -6.985 3 3H ALA 2 3H ALA 2 -2.990 15.656 -7.964 4 HA ALA 2 HA ALA 2 -1.009 14.655 -8.617 5 1HB ALA 2 1HB ALA 2 0.284 14.970 -6.584 6 2HB ALA 2 2HB ALA 2 -0.696 13.740 -5.742 7 3HB ALA 2 3HB ALA 2 0.345 13.283 -7.108 8 H GLN 3 H GLN 3 -2.958 13.893 -9.691 9 HA GLN 3 HA GLN 3 -4.605 11.874 -8.545 10 1HB GLN 3 1HB GLN 3 -4.362 12.893 -11.411 11 2HB GLN 3 2HB GLN 3 -5.685 11.897 -10.800 12 1HG GLN 3 1HG GLN 3 -6.359 13.637 -9.240 13 2HG GLN 3 2HG GLN 3 -4.989 14.652 -9.665 14 1HE2 GLN 3 2HE2 GLN 3 -6.371 15.621 -12.884 15 2HE2 GLN 3 1HE2 GLN 3 -4.849 14.988 -12.287 16 H GLU 4 H GLU 4 -2.598 11.628 -11.569 17 HA GLU 4 HA GLU 4 -3.001 8.807 -11.661 18 1HB GLU 4 1HB GLU 4 -0.837 10.298 -13.172 19 2HB GLU 4 2HB GLU 4 -1.608 8.787 -13.573 20 1HG GLU 4 1HG GLU 4 -2.695 10.128 -15.018 21 2HG GLU 4 2HG GLU 4 -3.827 10.225 -13.667 22 H PHE 5 H PHE 5 -0.559 10.760 -10.099 23 HA PHE 5 HA PHE 5 1.577 8.911 -9.957 24 1HB PHE 5 1HB PHE 5 1.212 11.425 -9.100 25 2HB PHE 5 2HB PHE 5 0.906 10.625 -7.575 26 HD1 PHE 5 2HD PHE 5 3.166 8.351 -8.027 27 HD2 PHE 5 1HD PHE 5 3.094 12.656 -8.423 28 HE1 PHE 5 2HE PHE 5 5.563 8.435 -7.562 29 HE2 PHE 5 1HE PHE 5 5.533 12.712 -7.940 30 HZ PHE 5 HZ PHE 5 6.766 10.608 -7.511 31 H VAL 6 H VAL 6 -1.516 9.062 -8.137 32 HA VAL 6 HA VAL 6 -0.845 6.498 -6.837 33 HB VAL 6 HB VAL 6 -3.160 8.427 -6.568 34 1HG1 VAL 6 1HG1 VAL 6 -2.784 5.719 -5.234 35 2HG1 VAL 6 2HG1 VAL 6 -3.955 6.946 -4.743 36 3HG1 VAL 6 3HG1 VAL 6 -4.102 6.178 -6.330 37 1HG2 VAL 6 2HG2 VAL 6 -1.030 9.027 -5.391 38 2HG2 VAL 6 3HG2 VAL 6 -2.314 8.625 -4.245 39 3HG2 VAL 6 1HG2 VAL 6 -1.035 7.448 -4.590 40 H ASN 7 H ASN 7 -3.438 7.829 -8.992 41 HA ASN 7 HA ASN 7 -4.698 5.320 -9.159 42 1HB ASN 7 1HB ASN 7 -4.964 7.890 -10.720 43 2HB ASN 7 2HB ASN 7 -5.706 6.440 -11.381 44 1HD2 ASN 7 2HD2 ASN 7 -8.333 8.108 -9.346 45 2HD2 ASN 7 1HD2 ASN 7 -7.313 8.565 -10.697 46 H CYS 8 H CYS 8 -2.022 6.430 -11.161 47 HA CYS 8 HA CYS 8 -2.450 4.294 -13.145 48 1HB CYS 8 1HB CYS 8 -1.672 6.589 -13.760 49 2HB CYS 8 2HB CYS 8 -0.174 6.299 -12.845 50 HG CYS 8 HG CYS 8 0.170 6.136 -15.465 51 H LYS 9 H LYS 9 -0.699 4.826 -10.118 52 HA LYS 9 HA LYS 9 1.391 2.865 -10.707 53 1HB LYS 9 1HB LYS 9 0.594 4.493 -8.286 54 2HB LYS 9 2HB LYS 9 1.661 3.104 -8.077 55 1HG LYS 9 1HG LYS 9 2.235 5.229 -10.168 56 2HG LYS 9 2HG LYS 9 2.762 5.411 -8.491 57 1HD LYS 9 1HD LYS 9 4.261 3.659 -8.559 58 2HD LYS 9 2HD LYS 9 3.494 2.851 -9.923 59 1HE LYS 9 1HE LYS 9 4.481 5.622 -10.460 60 2HE LYS 9 2HE LYS 9 5.739 4.439 -10.080 61 1HZ LYS 9 3HZ LYS 9 3.711 3.969 -12.193 62 2HZ LYS 9 1HZ LYS 9 5.221 4.594 -12.450 63 3HZ LYS 9 2HZ LYS 9 5.044 3.080 -11.844 64 H ILE 10 H ILE 10 -1.794 2.757 -9.046 65 HA ILE 10 HA ILE 10 -1.248 -0.034 -8.292 66 HB ILE 10 HB ILE 10 -3.997 1.138 -8.212 67 1HG1 ILE 10 1HG1 ILE 10 -2.711 1.579 -5.628 68 2HG1 ILE 10 2HG1 ILE 10 -1.948 2.568 -6.835 69 1HG2 ILE 10 2HG2 ILE 10 -2.401 -0.767 -6.429 70 2HG2 ILE 10 3HG2 ILE 10 -4.074 -0.287 -6.141 71 3HG2 ILE 10 1HG2 ILE 10 -3.657 -1.205 -7.597 72 1HD1 ILE 10 1HD1 ILE 10 -4.953 2.438 -6.387 73 2HD1 ILE 10 2HD1 ILE 10 -3.871 3.709 -5.792 74 3HD1 ILE 10 3HD1 ILE 10 -4.110 3.497 -7.539 75 H GLN 11 H GLN 11 -2.345 -1.855 -9.270 76 HA GLN 11 HA GLN 11 -4.250 -1.380 -11.368 77 1HB GLN 11 1HB GLN 11 -3.036 -2.613 -13.112 78 2HB GLN 11 2HB GLN 11 -2.174 -1.182 -12.620 79 1HG GLN 11 1HG GLN 11 -0.411 -2.562 -12.632 80 2HG GLN 11 2HG GLN 11 -0.920 -2.958 -11.005 81 1HE2 GLN 11 2HE2 GLN 11 -1.336 -5.695 -14.072 82 2HE2 GLN 11 1HE2 GLN 11 -0.891 -4.008 -14.397 83 HA PRO 12 HA PRO 12 -5.740 -5.053 -9.443 84 1HB PRO 12 1HB PRO 12 -7.259 -6.288 -11.333 85 2HB PRO 12 2HB PRO 12 -7.677 -4.694 -10.635 86 1HG PRO 12 1HG PRO 12 -6.335 -5.285 -13.280 87 2HG PRO 12 2HG PRO 12 -7.619 -4.087 -12.923 88 1HD PRO 12 1HD PRO 12 -4.938 -3.510 -13.098 89 2HD PRO 12 2HD PRO 12 -6.095 -2.545 -12.142 90 H GLY 13 H GLY 13 -4.288 -6.598 -8.848 91 1HA GLY 13 1HA GLY 13 -3.375 -8.770 -9.217 92 2HA GLY 13 2HA GLY 13 -3.029 -8.276 -10.844 93 H LYS 14 H LYS 14 -2.322 -5.666 -8.775 94 HA LYS 14 HA LYS 14 0.398 -6.631 -8.034 95 1HB LYS 14 1HB LYS 14 -0.045 -4.680 -9.927 96 2HB LYS 14 2HB LYS 14 0.019 -3.688 -8.479 97 1HG LYS 14 1HG LYS 14 2.241 -4.585 -8.016 98 2HG LYS 14 2HG LYS 14 2.169 -5.675 -9.416 99 1HD LYS 14 1HD LYS 14 2.445 -3.864 -10.926 100 2HD LYS 14 2HD LYS 14 1.791 -2.695 -9.779 101 1HE LYS 14 1HE LYS 14 4.106 -2.223 -9.904 102 2HE LYS 14 2HE LYS 14 3.808 -2.960 -8.332 103 1HZ LYS 14 2HZ LYS 14 4.981 -4.324 -10.688 104 2HZ LYS 14 3HZ LYS 14 5.800 -3.801 -9.405 105 3HZ LYS 14 1HZ LYS 14 4.777 -5.036 -9.208 106 H VAL 15 H VAL 15 1.264 -5.406 -6.084 107 HA VAL 15 HA VAL 15 -0.911 -4.576 -4.258 108 HB VAL 15 HB VAL 15 1.659 -6.132 -3.708 109 1HG1 VAL 15 3HG1 VAL 15 -0.644 -5.147 -2.036 110 2HG1 VAL 15 1HG1 VAL 15 0.466 -6.410 -1.438 111 3HG1 VAL 15 2HG1 VAL 15 1.049 -4.778 -1.798 112 1HG2 VAL 15 1HG2 VAL 15 -1.211 -7.123 -3.860 113 2HG2 VAL 15 2HG2 VAL 15 0.173 -7.641 -4.843 114 3HG2 VAL 15 3HG2 VAL 15 0.142 -8.026 -3.130 115 H VAL 16 H VAL 16 -0.681 -2.366 -3.967 116 HA VAL 16 HA VAL 16 2.073 -1.263 -4.252 117 HB VAL 16 HB VAL 16 -0.560 -0.097 -5.217 118 1HG1 VAL 16 2HG1 VAL 16 1.141 1.636 -4.615 119 2HG1 VAL 16 3HG1 VAL 16 2.292 0.824 -5.707 120 3HG1 VAL 16 1HG1 VAL 16 0.815 1.572 -6.350 121 1HG2 VAL 16 1HG2 VAL 16 1.711 -1.592 -6.613 122 2HG2 VAL 16 2HG2 VAL 16 -0.032 -1.936 -6.678 123 3HG2 VAL 16 3HG2 VAL 16 0.637 -0.520 -7.499 124 H VAL 17 H VAL 17 2.726 0.173 -2.697 125 HA VAL 17 HA VAL 17 0.712 0.948 -0.638 126 HB VAL 17 HB VAL 17 3.526 0.172 0.119 127 1HG1 VAL 17 1HG1 VAL 17 2.181 1.578 1.675 128 2HG1 VAL 17 2HG1 VAL 17 0.923 0.348 1.694 129 3HG1 VAL 17 3HG1 VAL 17 2.536 -0.015 2.358 130 1HG2 VAL 17 2HG2 VAL 17 1.128 -1.700 0.094 131 2HG2 VAL 17 3HG2 VAL 17 2.621 -1.866 -0.855 132 3HG2 VAL 17 1HG2 VAL 17 2.700 -1.994 0.895 133 H PHE 18 H PHE 18 0.611 3.087 -0.635 134 HA PHE 18 HA PHE 18 2.856 4.692 -1.690 135 1HB PHE 18 1HB PHE 18 0.106 5.443 -0.600 136 2HB PHE 18 2HB PHE 18 1.226 6.595 -1.339 137 HD1 PHE 18 1HD PHE 18 1.978 6.339 -3.708 138 HD2 PHE 18 2HD PHE 18 -1.210 3.963 -2.020 139 HE1 PHE 18 1HE PHE 18 1.257 5.687 -5.985 140 HE2 PHE 18 2HE PHE 18 -1.918 3.313 -4.300 141 HZ PHE 18 HZ PHE 18 -0.705 4.211 -6.285 142 H ILE 19 H ILE 19 4.508 5.243 -0.361 143 HA ILE 19 HA ILE 19 4.017 5.579 2.540 144 HB ILE 19 HB ILE 19 6.137 4.350 2.923 145 1HG1 ILE 19 1HG1 ILE 19 6.551 2.602 0.902 146 2HG1 ILE 19 2HG1 ILE 19 6.228 4.035 -0.034 147 1HG2 ILE 19 3HG2 ILE 19 3.819 3.335 3.068 148 2HG2 ILE 19 1HG2 ILE 19 4.229 2.487 1.556 149 3HG2 ILE 19 2HG2 ILE 19 5.193 2.233 3.028 150 1HD1 ILE 19 1HD1 ILE 19 8.338 3.780 2.167 151 2HD1 ILE 19 2HD1 ILE 19 8.639 3.726 0.422 152 3HD1 ILE 19 3HD1 ILE 19 8.066 5.224 1.172 153 H LYS 20 H LYS 20 5.846 6.600 3.643 154 HA LYS 20 HA LYS 20 7.625 8.203 1.909 155 1HB LYS 20 1HB LYS 20 7.563 9.991 3.642 156 2HB LYS 20 2HB LYS 20 6.029 9.783 2.783 157 1HG LYS 20 1HG LYS 20 5.387 8.287 4.881 158 2HG LYS 20 2HG LYS 20 6.739 9.117 5.650 159 1HD LYS 20 1HD LYS 20 4.329 10.439 4.330 160 2HD LYS 20 2HD LYS 20 4.475 10.138 6.057 161 1HE LYS 20 1HE LYS 20 6.343 11.940 4.436 162 2HE LYS 20 2HE LYS 20 4.944 12.476 5.372 163 1HZ LYS 20 2HZ LYS 20 6.021 11.457 7.338 164 2HZ LYS 20 3HZ LYS 20 7.409 11.286 6.437 165 3HZ LYS 20 1HZ LYS 20 6.769 12.771 6.738 166 HA PRO 21 HA PRO 21 10.451 5.900 4.447 167 1HB PRO 21 1HB PRO 21 12.801 7.280 4.100 168 2HB PRO 21 2HB PRO 21 12.034 6.278 2.830 169 1HG PRO 21 1HG PRO 21 11.887 9.276 3.182 170 2HG PRO 21 2HG PRO 21 12.193 8.350 1.679 171 1HD PRO 21 1HD PRO 21 9.712 9.313 2.369 172 2HD PRO 21 2HD PRO 21 9.925 7.794 1.452 173 H THR 22 H THR 22 9.775 9.321 4.938 174 HA THR 22 HA THR 22 11.044 9.562 7.524 175 HB THR 22 HB THR 22 10.081 11.866 7.269 176 HG1 THR 22 HG1 THR 22 9.160 12.385 5.335 177 1HG2 THR 22 3HG2 THR 22 12.345 11.278 6.365 178 2HG2 THR 22 1HG2 THR 22 11.603 10.928 4.795 179 3HG2 THR 22 2HG2 THR 22 11.536 12.564 5.453 180 H CYS 23 H CSN 23 8.872 7.506 7.118 181 HA CYS 23 HA CSN 23 7.276 8.185 9.500 182 1HB CYS 23 2HB CSN 23 5.755 8.379 7.669 183 2HB CYS 23 3HB CSN 23 6.426 6.942 6.878 184 HA PRO 24 HA PRO 24 9.171 4.138 10.482 185 1HB PRO 24 1HB PRO 24 8.127 3.714 12.959 186 2HB PRO 24 2HB PRO 24 9.367 4.965 12.664 187 1HG PRO 24 1HG PRO 24 6.371 5.339 12.847 188 2HG PRO 24 2HG PRO 24 7.657 6.283 13.659 189 1HD PRO 24 1HD PRO 24 6.495 7.111 11.311 190 2HD PRO 24 2HD PRO 24 8.220 7.413 11.688 191 H TYR 25 H TYR 25 5.690 4.873 10.333 192 HA TYR 25 HA TYR 25 4.846 2.100 10.776 193 1HB TYR 25 1HB TYR 25 3.311 4.489 9.631 194 2HB TYR 25 2HB TYR 25 2.646 2.927 10.012 195 HD1 TYR 25 1HD TYR 25 4.208 5.956 11.456 196 HD2 TYR 25 2HD TYR 25 1.985 2.346 12.264 197 HE1 TYR 25 1HE TYR 25 3.851 6.703 13.781 198 HE2 TYR 25 2HE TYR 25 1.594 3.113 14.594 199 HH TYR 25 HH TYR 25 2.028 4.793 16.178 200 H CYS 26 H CYS 26 5.658 4.302 8.079 201 HA CYS 26 HA CYS 26 4.915 2.555 5.960 202 1HB CYS 26 1HB CYS 26 7.042 4.706 6.257 203 2HB CYS 26 2HB CYS 26 6.785 3.822 4.767 204 HG CYS 26 HG CYS 26 4.803 5.767 6.559 205 H ARG 27 H ARG 27 8.062 2.779 7.743 206 HA ARG 27 HA ARG 27 9.243 0.561 6.412 207 1HB ARG 27 1HB ARG 27 10.436 2.205 7.952 208 2HB ARG 27 2HB ARG 27 9.719 1.335 9.311 209 1HG ARG 27 1HG ARG 27 10.801 -0.794 8.214 210 2HG ARG 27 2HG ARG 27 11.762 0.350 7.277 211 1HD ARG 27 1HD ARG 27 11.577 0.203 10.315 212 2HD ARG 27 2HD ARG 27 12.853 -0.536 9.339 213 HE ARG 27 HE ARG 27 12.857 2.166 8.650 214 1HH1 ARG 27 2HH2 ARG 27 13.214 0.300 11.636 215 2HH1 ARG 27 1HH2 ARG 27 14.390 1.350 12.353 216 1HH2 ARG 27 2HH1 ARG 27 14.409 3.633 9.597 217 2HH2 ARG 27 1HH1 ARG 27 15.054 3.302 11.172 218 H ARG 28 H ARG 28 7.149 0.669 9.327 219 HA ARG 28 HA ARG 28 7.141 -2.081 9.934 220 1HB ARG 28 1HB ARG 28 5.969 -0.314 11.284 221 2HB ARG 28 2HB ARG 28 4.737 -0.212 10.071 222 1HG ARG 28 1HG ARG 28 3.582 -1.798 11.070 223 2HG ARG 28 2HG ARG 28 4.759 -2.952 10.518 224 1HD ARG 28 1HD ARG 28 5.140 -1.459 13.137 225 2HD ARG 28 2HD ARG 28 4.166 -2.931 12.966 226 HE ARG 28 HE ARG 28 6.970 -3.056 11.991 227 1HH1 ARG 28 2HH2 ARG 28 4.713 -3.837 14.625 228 2HH1 ARG 28 1HH2 ARG 28 5.640 -5.194 15.166 229 1HH2 ARG 28 2HH1 ARG 28 8.120 -4.729 12.636 230 2HH2 ARG 28 1HH1 ARG 28 7.618 -5.862 13.876 231 H ALA 29 H ALA 29 4.832 -0.323 7.883 232 HA ALA 29 HA ALA 29 3.405 -2.569 7.022 233 1HB ALA 29 2HB ALA 29 3.926 0.011 5.481 234 2HB ALA 29 3HB ALA 29 2.758 -1.225 4.980 235 3HB ALA 29 1HB ALA 29 2.528 -0.397 6.525 236 H GLN 30 H GLN 30 6.417 -1.226 5.420 237 HA GLN 30 HA GLN 30 6.568 -3.140 3.432 238 1HB GLN 30 1HB GLN 30 8.541 -1.385 4.936 239 2HB GLN 30 2HB GLN 30 9.186 -2.771 4.048 240 1HG GLN 30 1HG GLN 30 9.188 -1.193 2.358 241 2HG GLN 30 2HG GLN 30 7.686 -2.036 2.166 242 1HE2 GLN 30 2HE2 GLN 30 7.725 1.946 3.051 243 2HE2 GLN 30 1HE2 GLN 30 9.206 0.968 3.013 244 H GLU 31 H GLU 31 7.804 -3.465 6.793 245 HA GLU 31 HA GLU 31 8.946 -6.060 6.041 246 1HB GLU 31 1HB GLU 31 9.594 -6.279 8.413 247 2HB GLU 31 2HB GLU 31 10.043 -4.705 7.758 248 1HG GLU 31 1HG GLU 31 8.116 -3.673 8.811 249 2HG GLU 31 2HG GLU 31 7.613 -5.212 9.523 250 H ILE 32 H ILE 32 6.082 -4.964 7.744 251 HA ILE 32 HA ILE 32 4.893 -7.414 8.442 252 HB ILE 32 HB ILE 32 3.939 -4.650 7.763 253 1HG1 ILE 32 1HG1 ILE 32 3.650 -6.551 10.145 254 2HG1 ILE 32 2HG1 ILE 32 4.762 -5.191 10.013 255 1HG2 ILE 32 3HG2 ILE 32 2.192 -5.901 6.638 256 2HG2 ILE 32 1HG2 ILE 32 1.910 -6.832 8.136 257 3HG2 ILE 32 2HG2 ILE 32 1.608 -5.080 8.049 258 1HD1 ILE 32 1HD1 ILE 32 2.660 -3.696 9.822 259 2HD1 ILE 32 2HD1 ILE 32 1.736 -5.132 10.315 260 3HD1 ILE 32 3HD1 ILE 32 2.961 -4.466 11.403 261 H LEU 33 H LEU 33 4.671 -5.620 5.326 262 HA LEU 33 HA LEU 33 2.914 -7.711 4.301 263 1HB LEU 33 1HB LEU 33 4.138 -5.182 3.147 264 2HB LEU 33 2HB LEU 33 3.658 -6.416 2.017 265 HG LEU 33 HG LEU 33 1.691 -5.200 4.023 266 1HD1 LEU 33 1HD1 LEU 33 2.144 -4.557 1.107 267 2HD1 LEU 33 2HD1 LEU 33 0.814 -3.984 2.116 268 3HD1 LEU 33 3HD1 LEU 33 2.475 -3.508 2.515 269 1HD2 LEU 33 1HD2 LEU 33 1.314 -6.902 1.489 270 2HD2 LEU 33 2HD2 LEU 33 1.091 -7.499 3.136 271 3HD2 LEU 33 3HD2 LEU 33 0.018 -6.236 2.499 272 H SER 34 H SER 34 6.360 -6.667 3.791 273 HA SER 34 HA SER 34 6.761 -8.498 1.656 274 1HB SER 34 1HB SER 34 7.918 -6.294 2.191 275 2HB SER 34 2HB SER 34 8.902 -7.181 3.367 276 HG SER 34 HG SER 34 9.858 -8.238 1.772 277 H GLN 35 H GLN 35 6.763 -9.068 5.104 278 HA GLN 35 HA GLN 35 8.536 -11.346 5.090 279 1HB GLN 35 1HB GLN 35 6.405 -10.232 6.946 280 2HB GLN 35 2HB GLN 35 7.031 -11.858 7.232 281 1HG GLN 35 1HG GLN 35 9.228 -11.146 7.598 282 2HG GLN 35 2HG GLN 35 8.960 -9.583 6.817 283 1HE2 GLN 35 2HE2 GLN 35 8.918 -8.210 10.058 284 2HE2 GLN 35 1HE2 GLN 35 9.870 -8.548 8.614 285 H LEU 36 H LEU 36 5.164 -10.912 4.023 286 HA LEU 36 HA LEU 36 4.635 -13.778 4.054 287 1HB LEU 36 1HB LEU 36 3.327 -11.353 2.749 288 2HB LEU 36 2HB LEU 36 2.786 -12.984 2.438 289 HG LEU 36 HG LEU 36 1.474 -11.734 4.112 290 1HD1 LEU 36 3HD1 LEU 36 1.428 -14.227 4.036 291 2HD1 LEU 36 1HD1 LEU 36 2.832 -14.302 5.120 292 3HD1 LEU 36 2HD1 LEU 36 1.310 -13.686 5.724 293 1HD2 LEU 36 2HD2 LEU 36 3.226 -10.560 5.321 294 2HD2 LEU 36 3HD2 LEU 36 2.105 -11.431 6.380 295 3HD2 LEU 36 1HD2 LEU 36 3.717 -12.087 6.096 296 HA PRO 37 HA PRO 37 6.577 -14.317 -0.043 297 1HB PRO 37 1HB PRO 37 5.277 -16.541 -0.928 298 2HB PRO 37 2HB PRO 37 6.521 -16.621 0.353 299 1HG PRO 37 1HG PRO 37 3.506 -16.562 0.681 300 2HG PRO 37 2HG PRO 37 4.671 -17.641 1.484 301 1HD PRO 37 1HD PRO 37 3.678 -15.357 2.647 302 2HD PRO 37 2HD PRO 37 5.328 -15.958 2.992 303 H ILE 38 H ILE 38 5.838 -12.603 -1.380 304 HA ILE 38 HA ILE 38 3.064 -12.918 -2.448 305 HB ILE 38 HB ILE 38 4.622 -10.486 -1.447 306 1HG1 ILE 38 1HG1 ILE 38 1.647 -11.163 -1.324 307 2HG1 ILE 38 2HG1 ILE 38 2.777 -11.911 -0.210 308 1HG2 ILE 38 2HG2 ILE 38 2.395 -10.445 -3.565 309 2HG2 ILE 38 3HG2 ILE 38 2.899 -9.032 -2.638 310 3HG2 ILE 38 1HG2 ILE 38 4.043 -9.800 -3.729 311 1HD1 ILE 38 2HD1 ILE 38 3.589 -9.684 0.524 312 2HD1 ILE 38 3HD1 ILE 38 2.185 -8.988 -0.343 313 3HD1 ILE 38 1HD1 ILE 38 1.938 -10.129 0.991 314 H LYS 39 H LYS 39 3.022 -12.970 -4.605 315 HA LYS 39 HA LYS 39 5.012 -14.068 -5.966 316 1HB LYS 39 1HB LYS 39 2.587 -12.624 -6.875 317 2HB LYS 39 2HB LYS 39 3.817 -12.907 -8.092 318 1HG LYS 39 1HG LYS 39 3.341 -15.351 -6.518 319 2HG LYS 39 2HG LYS 39 1.831 -14.718 -7.153 320 1HD LYS 39 1HD LYS 39 4.291 -15.423 -8.767 321 2HD LYS 39 2HD LYS 39 2.797 -16.353 -8.654 322 1HE LYS 39 1HE LYS 39 1.776 -15.112 -10.247 323 2HE LYS 39 2HE LYS 39 2.133 -13.619 -9.386 324 1HZ LYS 39 1HZ LYS 39 4.404 -13.765 -10.440 325 2HZ LYS 39 2HZ LYS 39 3.788 -14.974 -11.396 326 3HZ LYS 39 3HZ LYS 39 3.163 -13.470 -11.474 327 H GLN 40 H GLN 40 6.954 -13.514 -6.800 328 HA GLN 40 HA GLN 40 7.992 -11.200 -5.778 329 1HB GLN 40 1HB GLN 40 9.127 -13.451 -6.703 330 2HB GLN 40 2HB GLN 40 9.452 -12.440 -8.112 331 1HG GLN 40 1HG GLN 40 11.362 -12.305 -6.662 332 2HG GLN 40 2HG GLN 40 10.532 -10.753 -6.519 333 1HE2 GLN 40 2HE2 GLN 40 9.719 -11.271 -3.050 334 2HE2 GLN 40 1HE2 GLN 40 9.748 -10.125 -4.387 335 H GLY 41 H GLY 41 7.976 -9.129 -6.329 336 1HA GLY 41 1HA GLY 41 8.264 -7.306 -7.797 337 2HA GLY 41 2HA GLY 41 7.657 -8.258 -9.147 338 H LEU 42 H LEU 42 5.280 -9.112 -6.918 339 HA LEU 42 HA LEU 42 3.519 -7.141 -8.003 340 1HB LEU 42 1HB LEU 42 3.060 -8.982 -5.645 341 2HB LEU 42 2HB LEU 42 1.908 -7.983 -6.459 342 HG LEU 42 HG LEU 42 3.131 -10.527 -7.448 343 1HD1 LEU 42 1HD1 LEU 42 1.043 -10.457 -6.061 344 2HD1 LEU 42 2HD1 LEU 42 0.291 -9.462 -7.328 345 3HD1 LEU 42 3HD1 LEU 42 0.783 -11.121 -7.696 346 1HD2 LEU 42 3HD2 LEU 42 1.728 -8.464 -9.152 347 2HD2 LEU 42 1HD2 LEU 42 3.366 -9.123 -9.372 348 3HD2 LEU 42 2HD2 LEU 42 1.958 -10.175 -9.573 349 H LEU 43 H LEU 43 5.504 -7.268 -5.027 350 HA LEU 43 HA LEU 43 3.762 -5.272 -3.774 351 1HB LEU 43 1HB LEU 43 5.450 -7.197 -2.669 352 2HB LEU 43 2HB LEU 43 6.385 -5.728 -2.501 353 HG LEU 43 HG LEU 43 5.234 -5.817 -0.505 354 1HD1 LEU 43 1HD1 LEU 43 4.764 -3.592 -1.663 355 2HD1 LEU 43 2HD1 LEU 43 3.156 -4.204 -2.068 356 3HD1 LEU 43 3HD1 LEU 43 3.640 -4.037 -0.381 357 1HD2 LEU 43 3HD2 LEU 43 2.826 -6.827 -2.002 358 2HD2 LEU 43 1HD2 LEU 43 3.885 -7.669 -0.864 359 3HD2 LEU 43 2HD2 LEU 43 2.812 -6.388 -0.276 360 H GLU 44 H GLU 44 3.998 -3.115 -4.280 361 HA GLU 44 HA GLU 44 6.708 -2.086 -4.931 362 1HB GLU 44 1HB GLU 44 5.445 -2.485 -7.022 363 2HB GLU 44 2HB GLU 44 4.241 -1.286 -6.480 364 1HG GLU 44 1HG GLU 44 6.048 0.390 -6.246 365 2HG GLU 44 2HG GLU 44 7.259 -0.802 -6.647 366 H PHE 45 H PHE 45 7.198 -0.991 -3.220 367 HA PHE 45 HA PHE 45 5.232 0.564 -1.716 368 1HB PHE 45 1HB PHE 45 8.229 0.417 -1.240 369 2HB PHE 45 2HB PHE 45 6.953 0.795 -0.111 370 HD1 PHE 45 2HD PHE 45 5.270 -1.020 0.553 371 HD2 PHE 45 1HD PHE 45 8.967 -1.873 -1.500 372 HE1 PHE 45 2HE PHE 45 5.162 -3.359 1.345 373 HE2 PHE 45 1HE PHE 45 8.841 -4.219 -0.732 374 HZ PHE 45 HZ PHE 45 6.967 -4.953 0.747 375 H VAL 46 H VAL 46 4.667 2.471 -2.780 376 HA VAL 46 HA VAL 46 6.549 3.725 -4.671 377 HB VAL 46 HB VAL 46 3.622 4.266 -4.016 378 1HG1 VAL 46 3HG1 VAL 46 5.400 5.424 -6.220 379 2HG1 VAL 46 1HG1 VAL 46 3.645 5.653 -6.089 380 3HG1 VAL 46 2HG1 VAL 46 4.713 6.326 -4.855 381 1HG2 VAL 46 2HG2 VAL 46 4.014 2.101 -5.152 382 2HG2 VAL 46 3HG2 VAL 46 3.205 3.249 -6.225 383 3HG2 VAL 46 1HG2 VAL 46 4.945 2.914 -6.414 384 H ASP 47 H ASP 47 8.020 4.967 -3.710 385 HA ASP 47 HA ASP 47 7.678 6.285 -1.179 386 1HB ASP 47 1HB ASP 47 9.862 5.531 -2.172 387 2HB ASP 47 2HB ASP 47 9.764 6.905 -3.296 388 H ILE 48 H ILE 48 6.114 7.778 -1.055 389 HA ILE 48 HA ILE 48 5.308 9.439 -3.259 390 HB ILE 48 HB ILE 48 3.796 10.467 -1.756 391 1HG1 ILE 48 1HG1 ILE 48 4.850 8.969 0.658 392 2HG1 ILE 48 2HG1 ILE 48 5.343 10.599 0.309 393 1HG2 ILE 48 3HG2 ILE 48 3.364 8.147 -2.614 394 2HG2 ILE 48 1HG2 ILE 48 3.956 7.493 -1.084 395 3HG2 ILE 48 2HG2 ILE 48 2.504 8.494 -1.099 396 1HD1 ILE 48 1HD1 ILE 48 2.904 11.267 0.338 397 2HD1 ILE 48 2HD1 ILE 48 2.513 9.626 0.872 398 3HD1 ILE 48 3HD1 ILE 48 3.526 10.668 1.885 399 H THR 49 H THR 49 7.983 9.731 -1.083 400 HA THR 49 HA THR 49 8.047 12.669 -1.270 401 HB THR 49 HB THR 49 9.916 12.584 0.175 402 HG1 THR 49 HG1 THR 49 9.922 9.780 -0.229 403 1HG2 THR 49 2HG2 THR 49 7.678 12.398 1.219 404 2HG2 THR 49 3HG2 THR 49 7.847 10.629 1.229 405 3HG2 THR 49 1HG2 THR 49 8.951 11.639 2.186 406 H ALA 50 H ALA 50 8.543 10.396 -3.495 407 HA ALA 50 HA ALA 50 11.121 10.721 -4.478 408 1HB ALA 50 3HB ALA 50 8.497 10.164 -5.916 409 2HB ALA 50 1HB ALA 50 10.104 9.965 -6.648 410 3HB ALA 50 2HB ALA 50 9.648 8.985 -5.249 411 H THR 51 H THR 51 8.536 13.127 -4.640 412 HA THR 51 HA THR 51 10.647 14.911 -5.625 413 HB THR 51 HB THR 51 9.102 16.234 -7.007 414 HG1 THR 51 HG1 THR 51 7.164 15.437 -7.642 415 1HG2 THR 51 1HG2 THR 51 10.548 14.552 -8.119 416 2HG2 THR 51 2HG2 THR 51 9.235 13.358 -8.006 417 3HG2 THR 51 3HG2 THR 51 9.025 14.817 -8.981 418 H ASN 52 H ASN 52 7.569 16.326 -5.295 419 HA ASN 52 HA ASN 52 7.606 16.426 -2.337 420 1HB ASN 52 1HB ASN 52 8.572 18.561 -3.293 421 2HB ASN 52 2HB ASN 52 6.993 18.856 -4.035 422 1HD2 ASN 52 2HD2 ASN 52 6.161 20.605 -1.052 423 2HD2 ASN 52 1HD2 ASN 52 6.310 20.674 -2.792 424 H HIS 53 H HIS 53 6.003 15.534 -5.149 425 HA HIS 53 HA HIS 53 3.331 16.322 -4.620 426 1HB HIS 53 1HB HIS 53 4.581 14.072 -6.203 427 2HB HIS 53 2HB HIS 53 2.843 14.165 -5.999 428 HD1 HIS 53 1HD HIS 53 4.327 14.556 -8.909 429 HD2 HIS 53 2HD HIS 53 2.668 17.496 -6.345 430 HE1 HIS 53 1HE HIS 53 3.658 16.483 -10.353 431 H THR 54 H THR 54 5.231 14.431 -2.609 432 HA THR 54 HA THR 54 3.687 12.450 -1.569 433 HB THR 54 HB THR 54 5.602 12.530 -0.379 434 HG1 THR 54 HG1 THR 54 5.113 14.068 1.629 435 1HG2 THR 54 2HG2 THR 54 5.468 15.516 -0.309 436 2HG2 THR 54 3HG2 THR 54 6.744 14.497 0.416 437 3HG2 THR 54 1HG2 THR 54 6.516 14.479 -1.334 438 H ASN 55 H ASN 55 3.618 15.749 -0.444 439 HA ASN 55 HA ASN 55 1.545 15.614 1.357 440 1HB ASN 55 1HB ASN 55 1.924 18.076 -0.364 441 2HB ASN 55 2HB ASN 55 1.353 17.986 1.296 442 1HD2 ASN 55 2HD2 ASN 55 5.341 18.310 0.522 443 2HD2 ASN 55 1HD2 ASN 55 4.029 18.748 -0.535 444 H GLU 56 H GLU 56 1.243 16.301 -2.143 445 HA GLU 56 HA GLU 56 -1.613 16.497 -2.179 446 1HB GLU 56 1HB GLU 56 0.675 16.258 -4.160 447 2HB GLU 56 2HB GLU 56 -0.956 15.842 -4.691 448 1HG GLU 56 1HG GLU 56 -1.805 18.030 -3.991 449 2HG GLU 56 2HG GLU 56 -0.172 18.506 -3.491 450 H ILE 57 H ILE 57 0.666 13.758 -2.590 451 HA ILE 57 HA ILE 57 -1.217 11.928 -3.778 452 HB ILE 57 HB ILE 57 1.512 11.677 -2.437 453 1HG1 ILE 57 1HG1 ILE 57 0.626 10.674 -5.176 454 2HG1 ILE 57 2HG1 ILE 57 1.104 12.348 -4.905 455 1HG2 ILE 57 2HG2 ILE 57 -0.399 9.414 -3.067 456 2HG2 ILE 57 3HG2 ILE 57 1.338 9.156 -3.107 457 3HG2 ILE 57 1HG2 ILE 57 0.553 9.674 -1.607 458 1HD1 ILE 57 3HD1 ILE 57 3.303 11.535 -3.951 459 2HD1 ILE 57 1HD1 ILE 57 2.874 9.908 -4.533 460 3HD1 ILE 57 2HD1 ILE 57 3.058 11.247 -5.667 461 H GLN 58 H GLN 58 0.010 12.422 -0.437 462 HA GLN 58 HA GLN 58 -1.626 10.442 0.804 463 1HB GLN 58 1HB GLN 58 -1.479 12.387 2.733 464 2HB GLN 58 2HB GLN 58 -0.438 11.044 2.490 465 1HG GLN 58 1HG GLN 58 1.294 12.376 1.559 466 2HG GLN 58 2HG GLN 58 0.194 13.724 1.306 467 1HE2 GLN 58 2HE2 GLN 58 1.841 13.062 4.995 468 2HE2 GLN 58 1HE2 GLN 58 1.720 11.737 3.863 469 H ASP 59 H ASP 59 -2.139 13.862 0.585 470 HA ASP 59 HA ASP 59 -4.792 13.983 1.430 471 1HB ASP 59 1HB ASP 59 -3.170 15.688 -0.453 472 2HB ASP 59 2HB ASP 59 -4.893 15.937 -0.393 473 H TYR 60 H TYR 60 -3.733 13.236 -1.925 474 HA TYR 60 HA TYR 60 -6.341 12.978 -3.014 475 1HB TYR 60 1HB TYR 60 -4.132 13.040 -4.286 476 2HB TYR 60 2HB TYR 60 -3.884 11.373 -3.822 477 HD1 TYR 60 1HD TYR 60 -6.509 13.599 -5.368 478 HD2 TYR 60 2HD TYR 60 -4.602 9.732 -5.342 479 HE1 TYR 60 1HE TYR 60 -7.801 12.956 -7.371 480 HE2 TYR 60 2HE TYR 60 -5.854 9.091 -7.378 481 HH TYR 60 HH TYR 60 -7.474 9.736 -8.880 482 H LEU 61 H LEU 61 -4.254 10.607 -1.335 483 HA LEU 61 HA LEU 61 -5.979 8.366 -1.727 484 1HB LEU 61 1HB LEU 61 -4.025 8.910 0.540 485 2HB LEU 61 2HB LEU 61 -4.854 7.398 0.274 486 HG LEU 61 HG LEU 61 -3.104 8.570 -1.913 487 1HD1 LEU 61 3HD1 LEU 61 -1.735 8.418 0.170 488 2HD1 LEU 61 1HD1 LEU 61 -2.146 6.699 0.287 489 3HD1 LEU 61 2HD1 LEU 61 -1.224 7.322 -1.108 490 1HD2 LEU 61 3HD2 LEU 61 -4.618 6.704 -2.468 491 2HD2 LEU 61 1HD2 LEU 61 -2.914 6.232 -2.584 492 3HD2 LEU 61 2HD2 LEU 61 -3.890 5.719 -1.187 493 H GLN 62 H GLN 62 -6.250 11.089 0.569 494 HA GLN 62 HA GLN 62 -8.238 9.774 2.219 495 1HB GLN 62 1HB GLN 62 -7.167 11.704 3.051 496 2HB GLN 62 2HB GLN 62 -7.689 12.708 1.719 497 1HG GLN 62 1HG GLN 62 -9.653 11.358 3.588 498 2HG GLN 62 2HG GLN 62 -8.852 12.863 4.052 499 1HE2 GLN 62 2HE2 GLN 62 -10.403 14.826 1.384 500 2HE2 GLN 62 1HE2 GLN 62 -8.938 14.690 2.323 501 H GLN 63 H GLN 63 -8.506 12.065 -0.460 502 HA GLN 63 HA GLN 63 -11.290 11.984 -0.750 503 1HB GLN 63 1HB GLN 63 -9.449 13.439 -1.855 504 2HB GLN 63 2HB GLN 63 -9.352 12.226 -3.105 505 1HG GLN 63 1HG GLN 63 -12.062 13.405 -2.399 506 2HG GLN 63 2HG GLN 63 -10.912 14.360 -3.325 507 1HE2 GLN 63 2HE2 GLN 63 -12.670 11.145 -5.182 508 2HE2 GLN 63 1HE2 GLN 63 -12.763 11.249 -3.424 509 H LEU 64 H LEU 64 -8.853 10.053 -2.384 510 HA LEU 64 HA LEU 64 -10.677 8.453 -3.915 511 1HB LEU 64 1HB LEU 64 -8.557 8.836 -4.854 512 2HB LEU 64 2HB LEU 64 -7.740 8.460 -3.353 513 HG LEU 64 HG LEU 64 -8.294 6.013 -3.667 514 1HD1 LEU 64 3HD1 LEU 64 -10.111 6.337 -5.377 515 2HD1 LEU 64 1HD1 LEU 64 -8.893 6.992 -6.471 516 3HD1 LEU 64 2HD1 LEU 64 -8.781 5.298 -5.981 517 1HD2 LEU 64 2HD2 LEU 64 -6.093 7.016 -4.109 518 2HD2 LEU 64 3HD2 LEU 64 -6.449 5.700 -5.246 519 3HD2 LEU 64 1HD2 LEU 64 -6.590 7.393 -5.767 520 H THR 65 H THR 65 -9.230 7.841 -0.655 521 HA THR 65 HA THR 65 -10.497 5.149 -0.756 522 HB THR 65 HB THR 65 -8.769 4.164 0.434 523 HG1 THR 65 HG1 THR 65 -7.618 6.729 0.748 524 1HG2 THR 65 3HG2 THR 65 -8.286 4.471 -1.946 525 2HG2 THR 65 1HG2 THR 65 -7.397 5.982 -1.574 526 3HG2 THR 65 2HG2 THR 65 -6.809 4.432 -0.962 527 H GLY 66 H GLY 66 -10.204 8.000 1.323 528 1HA GLY 66 1HA GLY 66 -12.000 8.198 2.969 529 2HA GLY 66 2HA GLY 66 -11.737 6.529 3.426 530 H ALA 67 H ALA 67 -8.586 7.707 2.961 531 HA ALA 67 HA ALA 67 -8.363 9.511 5.177 532 1HB ALA 67 3HB ALA 67 -7.740 6.593 5.583 533 2HB ALA 67 1HB ALA 67 -6.723 7.803 6.387 534 3HB ALA 67 2HB ALA 67 -8.465 7.749 6.706 535 H ARG 68 H ARG 68 -6.228 10.365 5.343 536 HA ARG 68 HA ARG 68 -4.608 9.951 2.860 537 1HB ARG 68 1HB ARG 68 -3.530 12.093 3.368 538 2HB ARG 68 2HB ARG 68 -5.232 12.279 3.187 539 1HG ARG 68 1HG ARG 68 -5.263 12.140 5.815 540 2HG ARG 68 2HG ARG 68 -3.518 12.403 5.689 541 1HD ARG 68 1HD ARG 68 -3.761 14.590 4.911 542 2HD ARG 68 2HD ARG 68 -5.270 14.250 4.077 543 HE ARG 68 HE ARG 68 -4.948 14.698 7.002 544 1HH1 ARG 68 2HH2 ARG 68 -6.986 15.191 4.075 545 2HH1 ARG 68 1HH2 ARG 68 -8.363 15.646 5.008 546 1HH2 ARG 68 2HH1 ARG 68 -6.890 14.984 8.144 547 2HH2 ARG 68 1HH1 ARG 68 -8.300 15.615 7.346 548 H THR 69 H THR 69 -4.543 8.863 6.102 549 HA THR 69 HA THR 69 -1.785 9.343 6.636 550 HB THR 69 HB THR 69 -2.299 7.325 8.256 551 HG1 THR 69 HG1 THR 69 -4.577 7.283 8.704 552 1HG2 THR 69 1HG2 THR 69 -3.614 10.074 8.359 553 2HG2 THR 69 2HG2 THR 69 -3.424 9.014 9.772 554 3HG2 THR 69 3HG2 THR 69 -1.995 9.651 8.939 555 H VAL 70 H VAL 70 -0.063 8.231 6.212 556 HA VAL 70 HA VAL 70 -0.202 5.916 4.433 557 HB VAL 70 HB VAL 70 2.271 6.816 3.987 558 1HG1 VAL 70 2HG1 VAL 70 0.408 6.471 2.362 559 2HG1 VAL 70 3HG1 VAL 70 -0.200 8.091 2.737 560 3HG1 VAL 70 1HG1 VAL 70 1.408 7.876 1.986 561 1HG2 VAL 70 2HG2 VAL 70 2.050 8.825 5.546 562 2HG2 VAL 70 3HG2 VAL 70 2.405 9.251 3.855 563 3HG2 VAL 70 1HG2 VAL 70 0.771 9.452 4.484 564 HA PRO 71 HA PRO 71 1.837 4.229 3.994 565 1HB PRO 71 1HB PRO 71 1.547 1.577 4.663 566 2HB PRO 71 2HB PRO 71 3.049 2.478 5.002 567 1HG PRO 71 1HG PRO 71 0.713 1.995 6.888 568 2HG PRO 71 2HG PRO 71 2.441 1.688 7.200 569 1HD PRO 71 1HD PRO 71 1.291 3.970 8.040 570 2HD PRO 71 2HD PRO 71 2.935 4.009 7.339 571 H ARG 72 H ARG 72 0.371 3.235 2.511 572 HA ARG 72 HA ARG 72 -2.399 2.744 3.475 573 1HB ARG 72 1HB ARG 72 -2.049 5.136 2.774 574 2HB ARG 72 2HB ARG 72 -1.635 4.578 1.158 575 1HG ARG 72 1HG ARG 72 -3.809 4.230 0.600 576 2HG ARG 72 2HG ARG 72 -4.170 3.390 2.110 577 1HD ARG 72 1HD ARG 72 -3.886 6.410 1.969 578 2HD ARG 72 2HD ARG 72 -5.421 5.577 1.721 579 HE ARG 72 HE ARG 72 -3.789 5.723 4.192 580 1HH1 ARG 72 2HH2 ARG 72 -6.964 5.048 2.743 581 2HH1 ARG 72 1HH2 ARG 72 -7.719 4.561 4.211 582 1HH2 ARG 72 2HH1 ARG 72 -4.779 5.318 6.156 583 2HH2 ARG 72 1HH1 ARG 72 -6.424 4.785 6.266 584 H VAL 73 H VAL 73 -2.757 0.665 2.854 585 HA VAL 73 HA VAL 73 -1.093 -0.449 0.676 586 HB VAL 73 HB VAL 73 -2.793 -1.683 2.871 587 1HG1 VAL 73 1HG1 VAL 73 -1.278 -3.116 0.628 588 2HG1 VAL 73 2HG1 VAL 73 -2.038 -3.907 2.030 589 3HG1 VAL 73 3HG1 VAL 73 -3.035 -3.103 0.832 590 1HG2 VAL 73 1HG2 VAL 73 0.194 -1.711 2.276 591 2HG2 VAL 73 2HG2 VAL 73 -0.623 -0.906 3.640 592 3HG2 VAL 73 3HG2 VAL 73 -0.579 -2.667 3.513 593 H PHE 74 H PHE 74 -1.826 -0.786 -1.253 594 HA PHE 74 HA PHE 74 -4.719 -0.842 -1.873 595 1HB PHE 74 1HB PHE 74 -2.493 0.813 -2.835 596 2HB PHE 74 2HB PHE 74 -3.138 -0.147 -4.128 597 HD1 PHE 74 1HD PHE 74 -5.805 -0.231 -4.237 598 HD2 PHE 74 2HD PHE 74 -3.479 2.937 -2.490 599 HE1 PHE 74 1HE PHE 74 -7.673 1.371 -4.647 600 HE2 PHE 74 2HE PHE 74 -5.310 4.540 -2.981 601 HZ PHE 74 HZ PHE 74 -7.407 3.749 -4.064 602 H ILE 75 H ILE 75 -5.056 -3.036 -1.921 603 HA ILE 75 HA ILE 75 -3.104 -4.807 -3.312 604 HB ILE 75 HB ILE 75 -5.005 -5.201 -1.075 605 1HG1 ILE 75 1HG1 ILE 75 -3.619 -7.262 -0.759 606 2HG1 ILE 75 2HG1 ILE 75 -2.603 -6.718 -2.108 607 1HG2 ILE 75 2HG2 ILE 75 -4.880 -7.242 -3.377 608 2HG2 ILE 75 3HG2 ILE 75 -5.479 -7.620 -1.765 609 3HG2 ILE 75 1HG2 ILE 75 -6.344 -6.445 -2.754 610 1HD1 ILE 75 2HD1 ILE 75 -2.190 -4.666 -0.690 611 2HD1 ILE 75 3HD1 ILE 75 -3.000 -5.555 0.643 612 3HD1 ILE 75 1HD1 ILE 75 -1.517 -6.187 -0.078 613 H GLY 76 H GLY 76 -3.519 -4.994 -5.477 614 1HA GLY 76 1HA GLY 76 -4.621 -5.066 -7.456 615 2HA GLY 76 2HA GLY 76 -5.816 -5.988 -6.545 616 H LYS 77 H LYS 77 -4.860 -2.591 -7.038 617 HA LYS 77 HA LYS 77 -5.928 -0.660 -6.985 618 1HB LYS 77 1HB LYS 77 -6.610 -2.008 -9.295 619 2HB LYS 77 2HB LYS 77 -8.179 -1.494 -8.674 620 1HG LYS 77 1HG LYS 77 -6.939 0.806 -8.277 621 2HG LYS 77 2HG LYS 77 -5.751 0.181 -9.414 622 1HD LYS 77 1HD LYS 77 -8.733 0.378 -10.028 623 2HD LYS 77 2HD LYS 77 -7.583 1.680 -10.364 624 1HE LYS 77 1HE LYS 77 -6.367 0.405 -11.956 625 2HE LYS 77 2HE LYS 77 -7.153 -1.108 -11.448 626 1HZ LYS 77 3HZ LYS 77 -8.654 1.101 -12.675 627 2HZ LYS 77 1HZ LYS 77 -7.988 -0.104 -13.551 628 3HZ LYS 77 2HZ LYS 77 -9.130 -0.495 -12.455 629 H ASP 78 H ASP 78 -7.086 -2.659 -4.803 630 HA ASP 78 HA ASP 78 -9.151 -0.646 -4.084 631 1HB ASP 78 1HB ASP 78 -9.943 -3.059 -4.707 632 2HB ASP 78 2HB ASP 78 -9.304 -3.493 -3.113 633 H CYS 79 H CYS 79 -8.925 0.272 -2.100 634 HA CYS 79 HA CYS 79 -6.346 -0.084 -0.767 635 1HB CYS 79 1HB CYS 79 -7.434 2.133 -1.305 636 2HB CYS 79 2HB CYS 79 -8.629 1.793 -0.040 637 HG CYS 79 HG CYS 79 -6.934 3.447 0.932 638 H ILE 80 H ILE 80 -6.042 -1.513 1.092 639 HA ILE 80 HA ILE 80 -8.493 -2.520 2.317 640 HB ILE 80 HB ILE 80 -7.144 -4.087 3.335 641 1HG1 ILE 80 1HG1 ILE 80 -4.679 -4.331 2.705 642 2HG1 ILE 80 2HG1 ILE 80 -4.738 -2.617 2.281 643 1HG2 ILE 80 2HG2 ILE 80 -7.871 -4.476 1.018 644 2HG2 ILE 80 3HG2 ILE 80 -6.308 -3.874 0.426 645 3HG2 ILE 80 1HG2 ILE 80 -6.383 -5.350 1.415 646 1HD1 ILE 80 3HD1 ILE 80 -5.587 -3.655 5.013 647 2HD1 ILE 80 1HD1 ILE 80 -3.903 -3.262 4.624 648 3HD1 ILE 80 2HD1 ILE 80 -5.118 -1.997 4.572 649 H GLY 81 H GLY 81 -6.369 0.138 2.784 650 1HA GLY 81 1HA GLY 81 -7.306 1.671 4.545 651 2HA GLY 81 2HA GLY 81 -7.121 0.315 5.663 652 H GLY 82 H GLY 82 -5.734 1.729 6.873 653 1HA GLY 82 1HA GLY 82 -3.068 2.333 5.710 654 2HA GLY 82 2HA GLY 82 -3.770 3.111 7.136 655 H CYS 83 H CYS 83 -2.082 2.520 8.585 656 HA CYS 83 HA CYS 83 -0.822 -0.080 8.434 657 1HB CYS 83 1HB CYS 83 0.146 2.283 9.287 658 2HB CYS 83 2HB CYS 83 -0.473 1.702 10.842 659 HG CYS 83 HG CYS 83 0.663 -0.684 10.628 660 H SER 84 H SER 84 -3.245 1.535 10.589 661 HA SER 84 HA SER 84 -3.161 -0.567 12.472 662 1HB SER 84 1HB SER 84 -5.385 1.432 11.912 663 2HB SER 84 2HB SER 84 -5.257 0.392 13.342 664 HG SER 84 HG SER 84 -4.256 2.253 13.930 665 H ASP 85 H ASP 85 -5.350 -0.012 9.689 666 HA ASP 85 HA ASP 85 -6.906 -2.395 9.888 667 1HB ASP 85 1HB ASP 85 -6.021 -0.630 7.582 668 2HB ASP 85 2HB ASP 85 -6.830 -2.157 7.259 669 H LEU 86 H LEU 86 -3.928 -1.731 7.992 670 HA LEU 86 HA LEU 86 -3.548 -4.213 6.900 671 1HB LEU 86 1HB LEU 86 -2.247 -2.214 6.302 672 2HB LEU 86 2HB LEU 86 -1.459 -2.235 7.883 673 HG LEU 86 HG LEU 86 -0.422 -4.445 7.317 674 1HD1 LEU 86 1HD1 LEU 86 -1.793 -3.979 4.642 675 2HD1 LEU 86 2HD1 LEU 86 -0.436 -5.102 4.885 676 3HD1 LEU 86 3HD1 LEU 86 -1.962 -5.349 5.732 677 1HD2 LEU 86 3HD2 LEU 86 0.126 -2.045 5.555 678 2HD2 LEU 86 1HD2 LEU 86 0.874 -2.480 7.089 679 3HD2 LEU 86 2HD2 LEU 86 1.192 -3.470 5.658 680 H VAL 87 H VAL 87 -2.428 -3.205 10.250 681 HA VAL 87 HA VAL 87 -0.998 -5.569 10.714 682 HB VAL 87 HB VAL 87 -2.303 -3.379 12.396 683 1HG1 VAL 87 2HG1 VAL 87 -0.642 -5.729 13.347 684 2HG1 VAL 87 3HG1 VAL 87 -1.005 -4.262 14.315 685 3HG1 VAL 87 1HG1 VAL 87 -2.317 -5.329 13.794 686 1HG2 VAL 87 1HG2 VAL 87 -0.154 -2.947 10.993 687 2HG2 VAL 87 2HG2 VAL 87 -0.093 -2.549 12.718 688 3HG2 VAL 87 3HG2 VAL 87 0.651 -4.046 12.120 689 H SER 88 H SER 88 -4.523 -4.727 11.400 690 HA SER 88 HA SER 88 -5.133 -7.194 12.749 691 1HB SER 88 1HB SER 88 -6.737 -5.140 11.209 692 2HB SER 88 2HB SER 88 -7.336 -6.780 11.093 693 HG SER 88 HG SER 88 -8.313 -5.798 12.759 694 H LEU 89 H LEU 89 -5.373 -6.185 9.311 695 HA LEU 89 HA LEU 89 -6.336 -8.653 8.422 696 1HB LEU 89 1HB LEU 89 -4.886 -6.412 6.952 697 2HB LEU 89 2HB LEU 89 -5.413 -7.878 6.172 698 HG LEU 89 HG LEU 89 -7.773 -7.360 7.112 699 1HD1 LEU 89 1HD1 LEU 89 -6.499 -4.608 6.983 700 2HD1 LEU 89 2HD1 LEU 89 -8.240 -4.894 6.905 701 3HD1 LEU 89 3HD1 LEU 89 -7.358 -5.358 8.357 702 1HD2 LEU 89 1HD2 LEU 89 -6.512 -5.955 4.714 703 2HD2 LEU 89 2HD2 LEU 89 -7.177 -7.602 4.733 704 3HD2 LEU 89 3HD2 LEU 89 -8.254 -6.227 4.954 705 H GLN 90 H GLN 90 -2.904 -7.577 8.824 706 HA GLN 90 HA GLN 90 -1.922 -9.901 7.415 707 1HB GLN 90 1HB GLN 90 -0.630 -7.698 7.742 708 2HB GLN 90 2HB GLN 90 -0.427 -8.134 9.415 709 1HG GLN 90 1HG GLN 90 0.354 -10.365 7.649 710 2HG GLN 90 2HG GLN 90 1.208 -8.901 7.246 711 1HE2 GLN 90 2HE2 GLN 90 3.604 -9.709 9.697 712 2HE2 GLN 90 1HE2 GLN 90 3.273 -9.201 8.047 713 H GLN 91 H GLN 91 -2.194 -9.013 10.937 714 HA GLN 91 HA GLN 91 -0.939 -11.357 11.845 715 1HB GLN 91 1HB GLN 91 -1.865 -8.831 12.820 716 2HB GLN 91 2HB GLN 91 -2.720 -9.994 13.784 717 1HG GLN 91 1HG GLN 91 0.286 -10.173 13.322 718 2HG GLN 91 2HG GLN 91 -0.429 -9.004 14.394 719 1HE2 GLN 91 2HE2 GLN 91 -1.169 -12.816 15.724 720 2HE2 GLN 91 1HE2 GLN 91 -1.648 -12.470 14.076 721 H SER 92 H SER 92 -4.378 -10.488 11.381 722 HA SER 92 HA SER 92 -5.282 -13.046 12.553 723 1HB SER 92 1HB SER 92 -6.355 -10.765 13.046 724 2HB SER 92 2HB SER 92 -6.971 -10.806 11.381 725 HG SER 92 HG SER 92 -7.862 -12.904 11.968 726 H GLY 93 H GLY 93 -4.150 -11.987 9.549 727 1HA GLY 93 1HA GLY 93 -3.881 -13.313 7.743 728 2HA GLY 93 2HA GLY 93 -5.069 -14.453 8.372 729 H GLU 94 H GLU 94 -6.634 -11.309 8.248 730 HA GLU 94 HA GLU 94 -8.295 -12.253 6.105 731 1HB GLU 94 1HB GLU 94 -9.161 -10.813 7.834 732 2HB GLU 94 2HB GLU 94 -7.901 -9.634 7.561 733 1HG GLU 94 1HG GLU 94 -9.829 -8.678 6.705 734 2HG GLU 94 2HG GLU 94 -8.894 -9.138 5.295 735 H LEU 95 H LEU 95 -5.412 -10.276 6.294 736 HA LEU 95 HA LEU 95 -5.337 -9.065 3.733 737 1HB LEU 95 1HB LEU 95 -3.705 -8.902 5.827 738 2HB LEU 95 2HB LEU 95 -2.912 -10.266 5.137 739 HG LEU 95 HG LEU 95 -2.358 -8.899 3.173 740 1HD1 LEU 95 2HD1 LEU 95 -3.809 -6.638 4.627 741 2HD1 LEU 95 3HD1 LEU 95 -2.748 -6.424 3.219 742 3HD1 LEU 95 1HD1 LEU 95 -4.256 -7.320 3.047 743 1HD2 LEU 95 1HD2 LEU 95 -1.735 -7.631 5.842 744 2HD2 LEU 95 2HD2 LEU 95 -0.859 -8.984 5.085 745 3HD2 LEU 95 3HD2 LEU 95 -0.817 -7.374 4.357 746 H LEU 96 H LEU 96 -4.683 -12.399 4.756 747 HA LEU 96 HA LEU 96 -2.970 -13.026 2.501 748 1HB LEU 96 1HB LEU 96 -4.326 -14.858 4.478 749 2HB LEU 96 2HB LEU 96 -3.154 -15.309 3.258 750 HG LEU 96 HG LEU 96 -2.770 -13.851 5.843 751 1HD1 LEU 96 1HD1 LEU 96 -2.150 -16.206 5.388 752 2HD1 LEU 96 2HD1 LEU 96 -1.012 -15.649 4.136 753 3HD1 LEU 96 3HD1 LEU 96 -0.738 -15.211 5.843 754 1HD2 LEU 96 2HD2 LEU 96 -1.872 -12.082 4.297 755 2HD2 LEU 96 3HD2 LEU 96 -0.659 -12.830 5.286 756 3HD2 LEU 96 1HD2 LEU 96 -0.810 -13.297 3.568 757 H THR 97 H THR 97 -6.360 -13.788 3.400 758 HA THR 97 HA THR 97 -7.124 -15.075 0.994 759 HB THR 97 HB THR 97 -8.723 -13.344 2.944 760 HG1 THR 97 HG1 THR 97 -8.825 -15.076 4.184 761 1HG2 THR 97 3HG2 THR 97 -9.605 -15.634 1.124 762 2HG2 THR 97 1HG2 THR 97 -10.616 -14.837 2.353 763 3HG2 THR 97 2HG2 THR 97 -10.049 -13.915 0.959 764 H ARG 98 H ARG 98 -7.306 -11.614 2.013 765 HA ARG 98 HA ARG 98 -8.479 -10.714 -0.335 766 1HB ARG 98 1HB ARG 98 -7.910 -9.606 2.043 767 2HB ARG 98 2HB ARG 98 -6.592 -8.863 1.138 768 1HG ARG 98 1HG ARG 98 -9.527 -8.823 0.277 769 2HG ARG 98 2HG ARG 98 -8.841 -7.602 1.349 770 1HD ARG 98 1HD ARG 98 -7.496 -6.657 -0.297 771 2HD ARG 98 2HD ARG 98 -7.457 -8.124 -1.259 772 HE ARG 98 HE ARG 98 -9.638 -6.144 -1.188 773 1HH1 ARG 98 2HH2 ARG 98 -8.454 -9.254 -2.550 774 2HH1 ARG 98 1HH2 ARG 98 -9.604 -9.235 -3.822 775 1HH2 ARG 98 2HH1 ARG 98 -11.060 -6.145 -2.818 776 2HH2 ARG 98 1HH1 ARG 98 -11.115 -7.371 -4.062 777 H LEU 99 H LEU 99 -4.888 -10.923 0.345 778 HA LEU 99 HA LEU 99 -4.151 -10.063 -2.271 779 1HB LEU 99 1HB LEU 99 -2.804 -11.586 0.010 780 2HB LEU 99 2HB LEU 99 -2.080 -11.634 -1.574 781 HG LEU 99 HG LEU 99 -2.494 -8.987 -1.478 782 1HD1 LEU 99 1HD1 LEU 99 -1.986 -9.900 1.364 783 2HD1 LEU 99 2HD1 LEU 99 -1.752 -8.227 0.831 784 3HD1 LEU 99 3HD1 LEU 99 -3.374 -8.935 0.799 785 1HD2 LEU 99 1HD2 LEU 99 -0.154 -10.446 -0.248 786 2HD2 LEU 99 2HD2 LEU 99 -0.356 -10.035 -1.974 787 3HD2 LEU 99 3HD2 LEU 99 -0.136 -8.749 -0.784 788 H LYS 100 H LYS 100 -4.655 -13.441 -1.002 789 HA LYS 100 HA LYS 100 -3.305 -14.401 -3.295 790 1HB LYS 100 1HB LYS 100 -4.301 -15.634 -1.031 791 2HB LYS 100 2HB LYS 100 -5.319 -16.329 -2.293 792 1HG LYS 100 1HG LYS 100 -3.186 -16.723 -3.666 793 2HG LYS 100 2HG LYS 100 -2.264 -16.192 -2.277 794 1HD LYS 100 1HD LYS 100 -3.183 -18.063 -0.913 795 2HD LYS 100 2HD LYS 100 -4.178 -18.581 -2.296 796 1HE LYS 100 1HE LYS 100 -2.109 -18.974 -3.636 797 2HE LYS 100 2HE LYS 100 -1.129 -18.454 -2.269 798 1HZ LYS 100 1HZ LYS 100 -1.909 -20.297 -0.999 799 2HZ LYS 100 2HZ LYS 100 -2.845 -20.844 -2.264 800 3HZ LYS 100 3HZ LYS 100 -1.223 -20.808 -2.391 801 H GLN 101 H GLN 101 -6.628 -13.633 -2.874 802 HA GLN 101 HA GLN 101 -7.874 -14.503 -5.190 803 1HB GLN 101 1HB GLN 101 -8.812 -13.160 -3.329 804 2HB GLN 101 2HB GLN 101 -8.044 -11.713 -3.958 805 1HG GLN 101 1HG GLN 101 -9.809 -13.256 -5.844 806 2HG GLN 101 2HG GLN 101 -10.596 -12.453 -4.497 807 1HE2 GLN 101 2HE2 GLN 101 -9.363 -10.213 -7.629 808 2HE2 GLN 101 1HE2 GLN 101 -8.819 -11.889 -7.531 809 H ILE 102 H ILE 102 -5.448 -11.795 -4.994 810 HA ILE 102 HA ILE 102 -5.879 -11.185 -7.841 811 HB ILE 102 HB ILE 102 -4.687 -9.242 -7.494 812 1HG1 ILE 102 1HG1 ILE 102 -3.754 -9.260 -4.757 813 2HG1 ILE 102 2HG1 ILE 102 -3.159 -10.693 -5.538 814 1HG2 ILE 102 1HG2 ILE 102 -6.907 -9.359 -6.303 815 2HG2 ILE 102 2HG2 ILE 102 -6.029 -9.665 -4.793 816 3HG2 ILE 102 3HG2 ILE 102 -5.772 -8.142 -5.651 817 1HD1 ILE 102 1HD1 ILE 102 -2.794 -7.879 -6.600 818 2HD1 ILE 102 2HD1 ILE 102 -1.572 -8.852 -5.749 819 3HD1 ILE 102 3HD1 ILE 102 -2.150 -9.376 -7.335 820 H GLY 103 H GLY 103 -4.261 -13.618 -6.376 821 1HA GLY 103 1HA GLY 103 -2.863 -15.156 -7.298 822 2HA GLY 103 2HA GLY 103 -2.611 -14.110 -8.702 823 H ALA 104 H ALA 104 -1.982 -13.967 -5.218 824 HA ALA 104 HA ALA 104 0.664 -12.635 -5.677 825 1HB ALA 104 1HB ALA 104 -1.464 -12.548 -3.473 826 2HB ALA 104 2HB ALA 104 0.106 -11.725 -3.367 827 3HB ALA 104 3HB ALA 104 -1.084 -11.247 -4.617 828 H LEU 105 H LEU 105 -0.729 -14.396 -2.708 829 HA LEU 105 HA LEU 105 1.884 -15.335 -2.148 830 1HB LEU 105 1HB LEU 105 -0.399 -16.870 -1.083 831 2HB LEU 105 2HB LEU 105 1.016 -16.234 -0.310 832 HG LEU 105 HG LEU 105 -1.410 -14.530 -0.961 833 1HD1 LEU 105 3HD1 LEU 105 -1.942 -16.288 0.679 834 2HD1 LEU 105 1HD1 LEU 105 -0.550 -15.789 1.668 835 3HD1 LEU 105 2HD1 LEU 105 -1.921 -14.684 1.412 836 1HD2 LEU 105 1HD2 LEU 105 0.693 -13.231 -0.757 837 2HD2 LEU 105 2HD2 LEU 105 -0.411 -12.903 0.593 838 3HD2 LEU 105 3HD2 LEU 105 0.998 -13.968 0.818 839 H GLN 106 H GLN 106 2.825 -17.148 -2.816 840 HA GLN 106 HA GLN 106 1.624 -18.474 -5.124 841 1HB GLN 106 2HB GLN 106 3.952 -17.467 -4.955 842 2HB GLN 106 3HB GLN 106 4.420 -18.863 -3.964 843 1HG GLN 106 2HG GLN 106 3.963 -20.336 -5.879 844 2HG GLN 106 3HG GLN 106 3.307 -18.976 -6.805 845 1HE2 GLN 106 2HE2 GLN 106 7.280 -19.630 -6.933 846 2HE2 GLN 106 1HE2 GLN 106 6.121 -20.771 -6.263 No H/Q in entry = 846 Start of MODEL 8 1 1H ALA 2 1H ALA 2 -2.217 15.834 -9.528 2 2H ALA 2 2H ALA 2 -2.340 15.663 -7.876 3 3H ALA 2 3H ALA 2 -1.077 16.449 -8.514 4 HA ALA 2 HA ALA 2 -0.210 14.526 -9.552 5 1HB ALA 2 1HB ALA 2 0.488 15.140 -7.260 6 2HB ALA 2 2HB ALA 2 -0.881 14.218 -6.605 7 3HB ALA 2 3HB ALA 2 0.449 13.380 -7.447 8 H GLN 3 H GLN 3 -3.159 14.207 -10.169 9 HA GLN 3 HA GLN 3 -3.941 11.682 -8.921 10 1HB GLN 3 1HB GLN 3 -5.504 13.398 -10.884 11 2HB GLN 3 2HB GLN 3 -6.093 12.097 -9.838 12 1HG GLN 3 1HG GLN 3 -5.130 13.544 -7.872 13 2HG GLN 3 2HG GLN 3 -5.088 14.854 -9.061 14 1HE2 GLN 3 2HE2 GLN 3 -8.237 15.421 -7.371 15 2HE2 GLN 3 1HE2 GLN 3 -6.504 15.816 -7.332 16 H GLU 4 H GLU 4 -1.755 11.184 -10.332 17 HA GLU 4 HA GLU 4 -2.557 9.357 -12.464 18 1HB GLU 4 1HB GLU 4 -2.551 11.443 -13.701 19 2HB GLU 4 2HB GLU 4 -0.935 11.842 -13.098 20 1HG GLU 4 1HG GLU 4 -0.003 9.902 -14.320 21 2HG GLU 4 2HG GLU 4 -1.637 9.406 -14.800 22 H PHE 5 H PHE 5 0.260 11.137 -10.951 23 HA PHE 5 HA PHE 5 2.149 9.142 -11.064 24 1HB PHE 5 1HB PHE 5 2.536 11.346 -10.045 25 2HB PHE 5 2HB PHE 5 1.517 10.927 -8.678 26 HD1 PHE 5 1HD PHE 5 4.780 10.350 -10.339 27 HD2 PHE 5 2HD PHE 5 2.344 9.396 -6.906 28 HE1 PHE 5 1HE PHE 5 6.750 9.354 -9.202 29 HE2 PHE 5 2HE PHE 5 4.322 8.421 -5.781 30 HZ PHE 5 HZ PHE 5 6.516 8.371 -6.936 31 H VAL 6 H VAL 6 -0.294 9.467 -8.463 32 HA VAL 6 HA VAL 6 0.105 6.854 -7.326 33 HB VAL 6 HB VAL 6 -1.957 9.049 -7.186 34 1HG1 VAL 6 2HG1 VAL 6 -2.464 6.348 -5.890 35 2HG1 VAL 6 3HG1 VAL 6 -3.354 7.854 -5.582 36 3HG1 VAL 6 1HG1 VAL 6 -3.449 7.094 -7.163 37 1HG2 VAL 6 1HG2 VAL 6 0.133 9.026 -5.750 38 2HG2 VAL 6 2HG2 VAL 6 -1.396 9.066 -4.846 39 3HG2 VAL 6 3HG2 VAL 6 -0.486 7.568 -4.963 40 H ASN 7 H ASN 7 -2.120 8.104 -9.855 41 HA ASN 7 HA ASN 7 -3.813 5.835 -9.693 42 1HB ASN 7 1HB ASN 7 -4.139 8.281 -10.776 43 2HB ASN 7 2HB ASN 7 -3.738 7.397 -12.254 44 1HD2 ASN 7 2HD2 ASN 7 -7.363 6.889 -10.447 45 2HD2 ASN 7 1HD2 ASN 7 -6.210 8.032 -9.841 46 H CYS 8 H CYS 8 -1.173 6.605 -11.958 47 HA CYS 8 HA CYS 8 -1.360 4.248 -13.569 48 1HB CYS 8 1HB CYS 8 -0.267 6.401 -14.246 49 2HB CYS 8 2HB CYS 8 0.959 6.155 -12.991 50 HG CYS 8 HG CYS 8 1.580 3.673 -13.981 51 H LYS 9 H LYS 9 0.008 4.793 -10.333 52 HA LYS 9 HA LYS 9 1.918 2.601 -10.592 53 1HB LYS 9 1HB LYS 9 0.816 4.147 -8.214 54 2HB LYS 9 2HB LYS 9 1.840 2.727 -7.995 55 1HG LYS 9 1HG LYS 9 2.714 4.928 -9.842 56 2HG LYS 9 2HG LYS 9 2.949 5.095 -8.109 57 1HD LYS 9 1HD LYS 9 4.298 3.087 -8.017 58 2HD LYS 9 2HD LYS 9 3.941 2.659 -9.683 59 1HE LYS 9 1HE LYS 9 5.332 5.255 -8.902 60 2HE LYS 9 2HE LYS 9 6.187 3.739 -9.214 61 1HZ LYS 9 2HZ LYS 9 4.432 5.084 -11.176 62 2HZ LYS 9 3HZ LYS 9 6.067 5.120 -11.172 63 3HZ LYS 9 1HZ LYS 9 5.293 3.689 -11.416 64 H ILE 10 H ILE 10 -1.478 2.870 -9.357 65 HA ILE 10 HA ILE 10 -1.279 0.131 -8.433 66 HB ILE 10 HB ILE 10 -3.886 1.581 -8.714 67 1HG1 ILE 10 1HG1 ILE 10 -2.638 1.991 -6.050 68 2HG1 ILE 10 2HG1 ILE 10 -1.815 2.885 -7.300 69 1HG2 ILE 10 3HG2 ILE 10 -2.673 -0.397 -6.719 70 2HG2 ILE 10 1HG2 ILE 10 -4.253 0.360 -6.528 71 3HG2 ILE 10 2HG2 ILE 10 -3.941 -0.718 -7.920 72 1HD1 ILE 10 3HD1 ILE 10 -4.804 2.981 -6.823 73 2HD1 ILE 10 1HD1 ILE 10 -3.615 4.220 -6.350 74 3HD1 ILE 10 2HD1 ILE 10 -3.909 3.890 -8.070 75 H GLN 11 H GLN 11 -1.995 -1.708 -9.460 76 HA GLN 11 HA GLN 11 -3.471 -1.401 -12.025 77 1HB GLN 11 1HB GLN 11 -1.209 -3.289 -11.285 78 2HB GLN 11 2HB GLN 11 -2.435 -3.735 -12.453 79 1HG GLN 11 1HG GLN 11 -0.639 -2.996 -13.703 80 2HG GLN 11 2HG GLN 11 -1.867 -1.731 -13.808 81 1HE2 GLN 11 2HE2 GLN 11 0.229 0.767 -12.385 82 2HE2 GLN 11 1HE2 GLN 11 -1.358 0.370 -12.961 83 HA PRO 12 HA PRO 12 -6.267 -4.266 -9.905 84 1HB PRO 12 1HB PRO 12 -7.669 -5.270 -12.021 85 2HB PRO 12 2HB PRO 12 -7.857 -3.592 -11.431 86 1HG PRO 12 1HG PRO 12 -6.193 -4.575 -13.767 87 2HG PRO 12 2HG PRO 12 -7.328 -3.190 -13.720 88 1HD PRO 12 1HD PRO 12 -4.611 -2.916 -13.386 89 2HD PRO 12 2HD PRO 12 -5.790 -1.845 -12.578 90 H GLY 13 H GLY 13 -4.185 -5.343 -9.370 91 1HA GLY 13 1HA GLY 13 -4.265 -7.991 -9.194 92 2HA GLY 13 2HA GLY 13 -3.581 -7.788 -10.789 93 H LYS 14 H LYS 14 -2.601 -5.329 -8.472 94 HA LYS 14 HA LYS 14 -0.022 -6.761 -7.960 95 1HB LYS 14 1HB LYS 14 -0.585 -4.251 -9.503 96 2HB LYS 14 2HB LYS 14 0.658 -4.080 -8.273 97 1HG LYS 14 1HG LYS 14 1.966 -5.887 -9.166 98 2HG LYS 14 2HG LYS 14 0.690 -6.324 -10.305 99 1HD LYS 14 1HD LYS 14 2.271 -5.180 -11.581 100 2HD LYS 14 2HD LYS 14 0.967 -4.025 -11.356 101 1HE LYS 14 1HE LYS 14 2.300 -2.991 -9.467 102 2HE LYS 14 2HE LYS 14 3.597 -4.156 -9.802 103 1HZ LYS 14 3HZ LYS 14 3.751 -3.179 -12.052 104 2HZ LYS 14 1HZ LYS 14 2.615 -2.071 -11.655 105 3HZ LYS 14 2HZ LYS 14 4.092 -2.121 -10.873 106 H VAL 15 H VAL 15 1.225 -5.453 -6.193 107 HA VAL 15 HA VAL 15 -0.726 -4.516 -4.180 108 HB VAL 15 HB VAL 15 1.951 -5.858 -3.730 109 1HG1 VAL 15 1HG1 VAL 15 -0.397 -5.018 -2.038 110 2HG1 VAL 15 2HG1 VAL 15 0.813 -6.165 -1.414 111 3HG1 VAL 15 3HG1 VAL 15 1.260 -4.505 -1.849 112 1HG2 VAL 15 1HG2 VAL 15 -0.779 -7.169 -3.761 113 2HG2 VAL 15 2HG2 VAL 15 0.623 -7.563 -4.769 114 3HG2 VAL 15 3HG2 VAL 15 0.694 -7.879 -3.047 115 H VAL 16 H VAL 16 -0.571 -2.321 -4.043 116 HA VAL 16 HA VAL 16 2.088 -1.060 -4.552 117 HB VAL 16 HB VAL 16 -0.688 -0.243 -5.502 118 1HG1 VAL 16 2HG1 VAL 16 0.779 1.710 -4.990 119 2HG1 VAL 16 3HG1 VAL 16 2.010 1.029 -6.080 120 3HG1 VAL 16 1HG1 VAL 16 0.418 1.537 -6.706 121 1HG2 VAL 16 3HG2 VAL 16 1.712 -1.565 -6.824 122 2HG2 VAL 16 1HG2 VAL 16 0.016 -2.093 -6.826 123 3HG2 VAL 16 2HG2 VAL 16 0.516 -0.689 -7.771 124 H VAL 17 H VAL 17 2.766 0.168 -2.922 125 HA VAL 17 HA VAL 17 0.760 0.963 -0.888 126 HB VAL 17 HB VAL 17 3.573 -0.036 -0.379 127 1HG1 VAL 17 3HG1 VAL 17 1.162 0.450 1.428 128 2HG1 VAL 17 1HG1 VAL 17 2.712 -0.252 1.960 129 3HG1 VAL 17 2HG1 VAL 17 2.646 1.411 1.377 130 1HG2 VAL 17 3HG2 VAL 17 0.978 -1.621 -0.285 131 2HG2 VAL 17 1HG2 VAL 17 2.405 -1.934 -1.294 132 3HG2 VAL 17 2HG2 VAL 17 2.523 -2.131 0.446 133 H PHE 18 H PHE 18 0.674 3.094 -0.735 134 HA PHE 18 HA PHE 18 2.890 4.733 -1.825 135 1HB PHE 18 1HB PHE 18 0.148 5.455 -0.667 136 2HB PHE 18 2HB PHE 18 1.264 6.637 -1.337 137 HD1 PHE 18 1HD PHE 18 2.194 6.172 -3.743 138 HD2 PHE 18 2HD PHE 18 -1.373 4.336 -2.141 139 HE1 PHE 18 1HE PHE 18 1.477 5.550 -6.033 140 HE2 PHE 18 2HE PHE 18 -2.106 3.772 -4.437 141 HZ PHE 18 HZ PHE 18 -0.665 4.388 -6.383 142 H ILE 19 H ILE 19 4.547 5.419 -0.561 143 HA ILE 19 HA ILE 19 4.217 5.452 2.397 144 HB ILE 19 HB ILE 19 6.471 4.423 2.517 145 1HG1 ILE 19 1HG1 ILE 19 6.439 3.498 -0.338 146 2HG1 ILE 19 2HG1 ILE 19 7.006 5.129 -0.036 147 1HG2 ILE 19 2HG2 ILE 19 4.509 2.965 2.667 148 2HG2 ILE 19 3HG2 ILE 19 4.554 2.703 0.911 149 3HG2 ILE 19 1HG2 ILE 19 5.882 2.139 1.928 150 1HD1 ILE 19 3HD1 ILE 19 8.161 2.716 1.376 151 2HD1 ILE 19 1HD1 ILE 19 8.851 3.519 -0.048 152 3HD1 ILE 19 2HD1 ILE 19 8.714 4.399 1.490 153 H LYS 20 H LYS 20 6.098 6.499 3.469 154 HA LYS 20 HA LYS 20 7.537 8.438 1.791 155 1HB LYS 20 1HB LYS 20 7.520 10.014 3.823 156 2HB LYS 20 2HB LYS 20 6.098 9.977 2.765 157 1HG LYS 20 1HG LYS 20 4.913 8.567 4.398 158 2HG LYS 20 2HG LYS 20 6.343 8.536 5.423 159 1HD LYS 20 1HD LYS 20 4.672 10.104 6.249 160 2HD LYS 20 2HD LYS 20 6.177 10.912 5.859 161 1HE LYS 20 1HE LYS 20 5.246 11.855 3.811 162 2HE LYS 20 2HE LYS 20 3.757 10.917 4.015 163 1HZ LYS 20 3HZ LYS 20 3.398 12.128 6.101 164 2HZ LYS 20 1HZ LYS 20 4.683 13.107 5.767 165 3HZ LYS 20 2HZ LYS 20 3.361 13.094 4.797 166 HA PRO 21 HA PRO 21 10.617 6.015 3.605 167 1HB PRO 21 1HB PRO 21 12.918 7.413 3.109 168 2HB PRO 21 2HB PRO 21 11.917 6.728 1.804 169 1HG PRO 21 1HG PRO 21 11.880 9.576 2.852 170 2HG PRO 21 2HG PRO 21 11.985 9.027 1.148 171 1HD PRO 21 1HD PRO 21 9.615 9.742 2.313 172 2HD PRO 21 2HD PRO 21 9.702 8.418 1.112 173 H THR 22 H THR 22 9.804 9.055 4.993 174 HA THR 22 HA THR 22 11.830 9.379 6.982 175 HB THR 22 HB THR 22 10.009 11.087 7.708 176 HG1 THR 22 HG1 THR 22 8.219 10.140 6.828 177 1HG2 THR 22 2HG2 THR 22 11.072 11.230 4.850 178 2HG2 THR 22 3HG2 THR 22 10.373 12.583 5.762 179 3HG2 THR 22 1HG2 THR 22 11.853 11.825 6.337 180 H CYS 23 H CSN 23 8.904 7.425 6.822 181 HA CYS 23 HA CSN 23 8.470 7.802 9.707 182 1HB CYS 23 2HB CSN 23 6.629 7.448 7.351 183 2HB CYS 23 3HB CSN 23 6.070 7.512 9.000 184 HA PRO 24 HA PRO 24 9.047 3.533 10.323 185 1HB PRO 24 1HB PRO 24 8.190 3.244 12.902 186 2HB PRO 24 2HB PRO 24 9.643 4.190 12.454 187 1HG PRO 24 1HG PRO 24 6.832 5.228 12.963 188 2HG PRO 24 2HG PRO 24 8.379 5.819 13.660 189 1HD PRO 24 1HD PRO 24 7.233 6.987 11.484 190 2HD PRO 24 2HD PRO 24 9.008 6.848 11.651 191 H TYR 25 H TYR 25 5.822 4.921 10.301 192 HA TYR 25 HA TYR 25 4.403 2.438 10.722 193 1HB TYR 25 1HB TYR 25 3.567 5.021 9.314 194 2HB TYR 25 2HB TYR 25 2.482 3.700 9.750 195 HD1 TYR 25 1HD TYR 25 2.296 3.000 12.226 196 HD2 TYR 25 2HD TYR 25 4.135 6.707 10.947 197 HE1 TYR 25 1HE TYR 25 2.279 3.801 14.541 198 HE2 TYR 25 2HE TYR 25 4.144 7.507 13.253 199 HH TYR 25 HH TYR 25 2.753 5.571 15.945 200 H CYS 26 H CYS 26 5.792 4.127 7.894 201 HA CYS 26 HA CYS 26 4.783 2.262 5.920 202 1HB CYS 26 1HB CYS 26 7.087 4.290 5.981 203 2HB CYS 26 2HB CYS 26 6.722 3.261 4.589 204 HG CYS 26 HG CYS 26 4.230 3.905 4.343 205 H ARG 27 H ARG 27 7.859 2.600 7.768 206 HA ARG 27 HA ARG 27 9.202 0.304 6.885 207 1HB ARG 27 1HB ARG 27 10.076 2.125 8.327 208 2HB ARG 27 2HB ARG 27 9.274 1.338 9.710 209 1HG ARG 27 1HG ARG 27 10.470 -0.772 9.120 210 2HG ARG 27 2HG ARG 27 11.347 0.069 7.865 211 1HD ARG 27 1HD ARG 27 11.430 1.192 10.683 212 2HD ARG 27 2HD ARG 27 12.403 -0.220 10.282 213 HE ARG 27 HE ARG 27 13.728 0.957 8.861 214 1HH1 ARG 27 2HH2 ARG 27 11.332 3.201 10.259 215 2HH1 ARG 27 1HH2 ARG 27 11.944 4.568 9.365 216 1HH2 ARG 27 2HH1 ARG 27 14.597 2.832 7.868 217 2HH2 ARG 27 1HH1 ARG 27 13.760 4.369 8.025 218 H ARG 28 H ARG 28 6.873 0.351 9.676 219 HA ARG 28 HA ARG 28 7.094 -2.441 10.174 220 1HB ARG 28 1HB ARG 28 5.806 -0.863 11.639 221 2HB ARG 28 2HB ARG 28 4.550 -0.766 10.447 222 1HG ARG 28 1HG ARG 28 3.567 -2.663 11.227 223 2HG ARG 28 2HG ARG 28 4.980 -3.585 10.856 224 1HD ARG 28 1HD ARG 28 5.709 -2.283 13.269 225 2HD ARG 28 2HD ARG 28 4.001 -2.647 13.480 226 HE ARG 28 HE ARG 28 4.429 -4.889 13.522 227 1HH1 ARG 28 2HH2 ARG 28 7.518 -3.198 13.074 228 2HH1 ARG 28 1HH2 ARG 28 8.369 -4.564 12.416 229 1HH2 ARG 28 2HH1 ARG 28 5.729 -6.866 13.028 230 2HH2 ARG 28 1HH1 ARG 28 7.331 -6.635 12.398 231 H ALA 29 H ALA 29 4.675 -0.707 8.244 232 HA ALA 29 HA ALA 29 3.342 -2.978 7.285 233 1HB ALA 29 3HB ALA 29 3.772 -0.284 5.925 234 2HB ALA 29 1HB ALA 29 2.627 -1.504 5.343 235 3HB ALA 29 2HB ALA 29 2.390 -0.759 6.934 236 H GLN 30 H GLN 30 6.327 -1.438 5.822 237 HA GLN 30 HA GLN 30 6.513 -3.043 3.658 238 1HB GLN 30 1HB GLN 30 8.187 -1.210 5.199 239 2HB GLN 30 2HB GLN 30 9.153 -2.635 4.893 240 1HG GLN 30 1HG GLN 30 9.436 -2.073 2.721 241 2HG GLN 30 2HG GLN 30 7.688 -1.966 2.539 242 1HE2 GLN 30 2HE2 GLN 30 9.847 1.473 3.328 243 2HE2 GLN 30 1HE2 GLN 30 10.625 -0.106 3.327 244 H GLU 31 H GLU 31 7.669 -3.817 6.957 245 HA GLU 31 HA GLU 31 8.878 -6.262 5.909 246 1HB GLU 31 1HB GLU 31 9.193 -6.980 8.242 247 2HB GLU 31 2HB GLU 31 9.953 -5.440 7.868 248 1HG GLU 31 1HG GLU 31 8.416 -4.201 9.168 249 2HG GLU 31 2HG GLU 31 7.260 -5.532 9.257 250 H ILE 32 H ILE 32 5.994 -5.459 7.801 251 HA ILE 32 HA ILE 32 4.803 -7.929 8.113 252 HB ILE 32 HB ILE 32 3.891 -5.086 7.822 253 1HG1 ILE 32 1HG1 ILE 32 3.692 -7.217 10.008 254 2HG1 ILE 32 2HG1 ILE 32 4.810 -5.852 9.949 255 1HG2 ILE 32 3HG2 ILE 32 1.891 -7.323 7.991 256 2HG2 ILE 32 1HG2 ILE 32 1.547 -5.581 8.213 257 3HG2 ILE 32 2HG2 ILE 32 2.084 -6.153 6.658 258 1HD1 ILE 32 2HD1 ILE 32 2.718 -4.340 10.005 259 2HD1 ILE 32 3HD1 ILE 32 1.812 -5.802 10.449 260 3HD1 ILE 32 1HD1 ILE 32 3.116 -5.235 11.498 261 H LEU 33 H LEU 33 4.467 -5.714 5.291 262 HA LEU 33 HA LEU 33 2.734 -7.624 4.055 263 1HB LEU 33 1HB LEU 33 3.889 -5.015 3.191 264 2HB LEU 33 2HB LEU 33 3.753 -6.156 1.879 265 HG LEU 33 HG LEU 33 1.425 -5.401 3.687 266 1HD1 LEU 33 2HD1 LEU 33 2.158 -4.508 0.878 267 2HD1 LEU 33 3HD1 LEU 33 0.644 -4.148 1.714 268 3HD1 LEU 33 1HD1 LEU 33 2.171 -3.514 2.355 269 1HD2 LEU 33 2HD2 LEU 33 1.503 -6.948 1.037 270 2HD2 LEU 33 3HD2 LEU 33 1.170 -7.675 2.605 271 3HD2 LEU 33 1HD2 LEU 33 0.046 -6.489 1.930 272 H SER 34 H SER 34 6.264 -6.725 3.655 273 HA SER 34 HA SER 34 6.634 -8.464 1.478 274 1HB SER 34 1HB SER 34 9.000 -8.201 1.855 275 2HB SER 34 2HB SER 34 8.177 -6.661 2.129 276 HG SER 34 HG SER 34 8.125 -7.494 4.444 277 H GLN 35 H GLN 35 6.285 -9.390 4.885 278 HA GLN 35 HA GLN 35 8.030 -11.668 4.796 279 1HB GLN 35 1HB GLN 35 5.594 -11.234 6.595 280 2HB GLN 35 2HB GLN 35 6.860 -12.435 6.815 281 1HG GLN 35 1HG GLN 35 8.325 -10.077 6.760 282 2HG GLN 35 2HG GLN 35 6.806 -9.585 7.529 283 1HE2 GLN 35 2HE2 GLN 35 9.468 -11.445 9.828 284 2HE2 GLN 35 1HE2 GLN 35 9.838 -10.684 8.294 285 H LEU 36 H LEU 36 4.631 -11.179 3.921 286 HA LEU 36 HA LEU 36 3.955 -13.977 3.676 287 1HB LEU 36 1HB LEU 36 2.763 -11.486 2.379 288 2HB LEU 36 2HB LEU 36 2.045 -13.096 2.380 289 HG LEU 36 HG LEU 36 2.511 -11.333 4.832 290 1HD1 LEU 36 1HD1 LEU 36 -0.026 -12.172 3.375 291 2HD1 LEU 36 2HD1 LEU 36 0.032 -11.294 4.919 292 3HD1 LEU 36 3HD1 LEU 36 0.688 -10.542 3.457 293 1HD2 LEU 36 3HD2 LEU 36 1.267 -14.112 4.627 294 2HD2 LEU 36 1HD2 LEU 36 2.734 -13.648 5.524 295 3HD2 LEU 36 2HD2 LEU 36 1.177 -13.048 6.059 296 HA PRO 37 HA PRO 37 6.463 -14.378 0.007 297 1HB PRO 37 1HB PRO 37 5.757 -16.852 -0.889 298 2HB PRO 37 2HB PRO 37 6.609 -16.600 0.660 299 1HG PRO 37 1HG PRO 37 3.629 -16.993 0.234 300 2HG PRO 37 2HG PRO 37 4.702 -17.808 1.421 301 1HD PRO 37 1HD PRO 37 3.162 -15.634 2.065 302 2HD PRO 37 2HD PRO 37 4.758 -15.928 2.813 303 H ILE 38 H ILE 38 5.323 -12.519 -0.967 304 HA ILE 38 HA ILE 38 2.863 -13.009 -2.536 305 HB ILE 38 HB ILE 38 4.563 -10.628 -1.636 306 1HG1 ILE 38 1HG1 ILE 38 1.551 -11.141 -1.439 307 2HG1 ILE 38 2HG1 ILE 38 2.701 -11.787 -0.280 308 1HG2 ILE 38 1HG2 ILE 38 2.325 -10.440 -3.723 309 2HG2 ILE 38 2HG2 ILE 38 3.028 -9.070 -2.862 310 3HG2 ILE 38 3HG2 ILE 38 4.031 -9.996 -3.951 311 1HD1 ILE 38 1HD1 ILE 38 3.572 -9.439 0.086 312 2HD1 ILE 38 2HD1 ILE 38 2.086 -8.884 -0.744 313 3HD1 ILE 38 3HD1 ILE 38 2.005 -9.823 0.754 314 H LYS 39 H LYS 39 2.863 -13.001 -4.824 315 HA LYS 39 HA LYS 39 4.983 -14.020 -6.078 316 1HB LYS 39 1HB LYS 39 2.578 -12.663 -7.114 317 2HB LYS 39 2HB LYS 39 3.920 -12.816 -8.252 318 1HG LYS 39 1HG LYS 39 3.397 -15.324 -6.754 319 2HG LYS 39 2HG LYS 39 2.007 -14.777 -7.673 320 1HD LYS 39 1HD LYS 39 4.763 -15.085 -8.910 321 2HD LYS 39 2HD LYS 39 3.562 -16.389 -8.813 322 1HE LYS 39 1HE LYS 39 1.894 -14.957 -9.970 323 2HE LYS 39 2HE LYS 39 3.114 -13.688 -10.190 324 1HZ LYS 39 1HZ LYS 39 3.439 -16.439 -11.209 325 2HZ LYS 39 2HZ LYS 39 2.707 -15.280 -12.083 326 3HZ LYS 39 3HZ LYS 39 4.304 -15.114 -11.659 327 H GLN 40 H GLN 40 6.981 -13.316 -6.700 328 HA GLN 40 HA GLN 40 7.758 -10.785 -5.800 329 1HB GLN 40 1HB GLN 40 9.140 -13.032 -6.222 330 2HB GLN 40 2HB GLN 40 9.523 -12.250 -7.756 331 1HG GLN 40 1HG GLN 40 11.257 -11.633 -6.268 332 2HG GLN 40 2HG GLN 40 10.246 -10.195 -6.402 333 1HE2 GLN 40 2HE2 GLN 40 11.014 -10.627 -2.798 334 2HE2 GLN 40 1HE2 GLN 40 11.659 -9.872 -4.268 335 H GLY 41 H GLY 41 7.563 -8.845 -6.690 336 1HA GLY 41 1HA GLY 41 8.025 -7.300 -8.509 337 2HA GLY 41 2HA GLY 41 7.444 -8.509 -9.659 338 H LEU 42 H LEU 42 5.245 -8.961 -7.140 339 HA LEU 42 HA LEU 42 3.340 -7.161 -8.354 340 1HB LEU 42 1HB LEU 42 3.061 -8.910 -5.924 341 2HB LEU 42 2HB LEU 42 1.840 -7.939 -6.678 342 HG LEU 42 HG LEU 42 3.102 -10.443 -7.797 343 1HD1 LEU 42 1HD1 LEU 42 1.230 -10.536 -6.144 344 2HD1 LEU 42 2HD1 LEU 42 0.239 -9.581 -7.269 345 3HD1 LEU 42 3HD1 LEU 42 0.780 -11.201 -7.740 346 1HD2 LEU 42 3HD2 LEU 42 1.254 -8.547 -9.278 347 2HD2 LEU 42 1HD2 LEU 42 2.941 -8.970 -9.707 348 3HD2 LEU 42 2HD2 LEU 42 1.669 -10.204 -9.773 349 H LEU 43 H LEU 43 5.487 -7.167 -5.465 350 HA LEU 43 HA LEU 43 3.859 -5.124 -4.173 351 1HB LEU 43 1HB LEU 43 5.323 -7.209 -3.141 352 2HB LEU 43 2HB LEU 43 6.456 -5.900 -2.977 353 HG LEU 43 HG LEU 43 5.492 -5.788 -0.931 354 1HD1 LEU 43 1HD1 LEU 43 4.933 -3.559 -1.885 355 2HD1 LEU 43 2HD1 LEU 43 3.342 -4.147 -2.373 356 3HD1 LEU 43 3HD1 LEU 43 3.782 -4.065 -0.657 357 1HD2 LEU 43 3HD2 LEU 43 2.961 -6.874 -2.138 358 2HD2 LEU 43 1HD2 LEU 43 4.130 -7.631 -1.061 359 3HD2 LEU 43 2HD2 LEU 43 3.096 -6.338 -0.439 360 H GLU 44 H GLU 44 4.178 -2.979 -4.565 361 HA GLU 44 HA GLU 44 7.001 -2.061 -4.780 362 1HB GLU 44 1HB GLU 44 5.886 -1.955 -7.022 363 2HB GLU 44 2HB GLU 44 4.743 -0.774 -6.340 364 1HG GLU 44 1HG GLU 44 6.681 0.655 -5.657 365 2HG GLU 44 2HG GLU 44 7.797 -0.531 -6.321 366 H PHE 45 H PHE 45 7.520 -0.555 -3.364 367 HA PHE 45 HA PHE 45 5.426 0.724 -1.699 368 1HB PHE 45 1HB PHE 45 8.366 0.196 -1.128 369 2HB PHE 45 2HB PHE 45 7.255 1.079 -0.084 370 HD1 PHE 45 1HD PHE 45 5.333 -0.076 1.014 371 HD2 PHE 45 2HD PHE 45 8.324 -2.266 -1.188 372 HE1 PHE 45 1HE PHE 45 4.539 -2.182 2.042 373 HE2 PHE 45 2HE PHE 45 7.547 -4.372 -0.135 374 HZ PHE 45 HZ PHE 45 5.653 -4.344 1.474 375 H VAL 46 H VAL 46 4.919 2.591 -2.680 376 HA VAL 46 HA VAL 46 6.709 3.833 -4.621 377 HB VAL 46 HB VAL 46 3.820 4.461 -3.892 378 1HG1 VAL 46 3HG1 VAL 46 5.067 6.192 -5.195 379 2HG1 VAL 46 1HG1 VAL 46 5.415 4.973 -6.437 380 3HG1 VAL 46 2HG1 VAL 46 3.741 5.479 -6.101 381 1HG2 VAL 46 2HG2 VAL 46 4.860 2.448 -5.905 382 2HG2 VAL 46 3HG2 VAL 46 3.798 2.137 -4.519 383 3HG2 VAL 46 1HG2 VAL 46 3.195 3.089 -5.874 384 H ASP 47 H ASP 47 8.041 5.438 -3.893 385 HA ASP 47 HA ASP 47 7.689 6.771 -1.371 386 1HB ASP 47 1HB ASP 47 9.835 6.232 -2.581 387 2HB ASP 47 2HB ASP 47 9.502 7.560 -3.689 388 H ILE 48 H ILE 48 6.021 8.227 -1.096 389 HA ILE 48 HA ILE 48 5.157 9.954 -3.304 390 HB ILE 48 HB ILE 48 3.388 10.725 -1.905 391 1HG1 ILE 48 1HG1 ILE 48 3.954 8.628 0.182 392 2HG1 ILE 48 2HG1 ILE 48 4.575 10.267 0.371 393 1HG2 ILE 48 1HG2 ILE 48 3.166 8.759 -3.388 394 2HG2 ILE 48 2HG2 ILE 48 3.659 7.679 -2.067 395 3HG2 ILE 48 3HG2 ILE 48 2.139 8.579 -1.957 396 1HD1 ILE 48 1HD1 ILE 48 2.098 11.010 0.052 397 2HD1 ILE 48 2HD1 ILE 48 1.692 9.299 0.229 398 3HD1 ILE 48 3HD1 ILE 48 2.506 10.168 1.548 399 H THR 49 H THR 49 7.887 10.297 -1.697 400 HA THR 49 HA THR 49 7.504 13.224 -1.209 401 HB THR 49 HB THR 49 9.272 13.148 0.369 402 HG1 THR 49 HG1 THR 49 9.646 10.452 -0.438 403 1HG2 THR 49 2HG2 THR 49 7.007 12.461 1.176 404 2HG2 THR 49 3HG2 THR 49 7.498 10.767 1.006 405 3HG2 THR 49 1HG2 THR 49 8.342 11.833 2.153 406 H ALA 50 H ALA 50 9.667 10.751 -2.559 407 HA ALA 50 HA ALA 50 11.827 12.291 -2.881 408 1HB ALA 50 2HB ALA 50 11.744 9.814 -3.098 409 2HB ALA 50 3HB ALA 50 11.135 9.993 -4.753 410 3HB ALA 50 1HB ALA 50 12.740 10.589 -4.330 411 H THR 51 H THR 51 9.576 11.761 -5.698 412 HA THR 51 HA THR 51 10.700 14.322 -6.787 413 HB THR 51 HB THR 51 10.366 13.361 -8.970 414 HG1 THR 51 HG1 THR 51 9.507 11.457 -9.286 415 1HG2 THR 51 3HG2 THR 51 12.535 12.905 -7.781 416 2HG2 THR 51 1HG2 THR 51 11.885 11.332 -7.278 417 3HG2 THR 51 2HG2 THR 51 12.112 11.690 -8.998 418 H ASN 52 H ASN 52 8.070 13.489 -5.169 419 HA ASN 52 HA ASN 52 6.165 14.981 -6.852 420 1HB ASN 52 1HB ASN 52 4.486 13.287 -6.777 421 2HB ASN 52 2HB ASN 52 5.945 12.551 -7.416 422 1HD2 ASN 52 2HD2 ASN 52 6.407 10.335 -4.637 423 2HD2 ASN 52 1HD2 ASN 52 7.239 11.110 -5.924 424 H HIS 53 H HIS 53 3.926 14.202 -4.956 425 HA HIS 53 HA HIS 53 4.625 16.317 -2.954 426 1HB HIS 53 1HB HIS 53 2.431 16.312 -5.077 427 2HB HIS 53 2HB HIS 53 2.454 17.359 -3.644 428 HD1 HIS 53 1HD HIS 53 4.540 19.140 -3.450 429 HD2 HIS 53 2HD HIS 53 4.123 16.946 -7.035 430 HE1 HIS 53 1HE HIS 53 6.145 20.190 -5.151 431 H THR 54 H THR 54 4.651 14.495 -1.571 432 HA THR 54 HA THR 54 2.777 12.716 -0.987 433 HB THR 54 HB THR 54 4.375 12.393 0.509 434 HG1 THR 54 HG1 THR 54 2.944 14.095 2.259 435 1HG2 THR 54 3HG2 THR 54 4.501 15.291 1.165 436 2HG2 THR 54 1HG2 THR 54 5.529 14.017 1.861 437 3HG2 THR 54 2HG2 THR 54 5.639 14.371 0.119 438 H ASN 55 H ASN 55 2.743 15.819 0.572 439 HA ASN 55 HA ASN 55 0.313 15.842 1.828 440 1HB ASN 55 1HB ASN 55 2.045 17.766 1.632 441 2HB ASN 55 2HB ASN 55 1.057 18.341 0.286 442 1HD2 ASN 55 2HD2 ASN 55 -0.086 19.055 4.094 443 2HD2 ASN 55 1HD2 ASN 55 1.515 18.531 3.610 444 H GLU 56 H GLU 56 0.559 16.824 -1.735 445 HA GLU 56 HA GLU 56 -2.151 17.091 -2.137 446 1HB GLU 56 1HB GLU 56 0.240 17.495 -3.454 447 2HB GLU 56 2HB GLU 56 -0.286 16.036 -4.277 448 1HG GLU 56 1HG GLU 56 -2.507 17.841 -4.055 449 2HG GLU 56 2HG GLU 56 -1.090 18.778 -4.553 450 H ILE 57 H ILE 57 0.001 14.279 -2.632 451 HA ILE 57 HA ILE 57 -2.018 12.542 -3.627 452 HB ILE 57 HB ILE 57 0.832 12.366 -2.722 453 1HG1 ILE 57 1HG1 ILE 57 -0.595 11.271 -5.183 454 2HG1 ILE 57 2HG1 ILE 57 -0.178 12.968 -5.003 455 1HG2 ILE 57 3HG2 ILE 57 -0.908 9.900 -2.913 456 2HG2 ILE 57 1HG2 ILE 57 0.836 9.875 -3.200 457 3HG2 ILE 57 2HG2 ILE 57 0.213 10.379 -1.623 458 1HD1 ILE 57 1HD1 ILE 57 1.933 10.805 -4.856 459 2HD1 ILE 57 2HD1 ILE 57 1.494 11.692 -6.323 460 3HD1 ILE 57 3HD1 ILE 57 2.126 12.578 -4.925 461 H GLN 58 H GLN 58 -1.032 13.339 -0.347 462 HA GLN 58 HA GLN 58 -2.094 11.027 0.973 463 1HB GLN 58 1HB GLN 58 -1.131 13.792 1.833 464 2HB GLN 58 2HB GLN 58 -2.120 12.843 2.933 465 1HG GLN 58 1HG GLN 58 -0.418 10.895 2.515 466 2HG GLN 58 2HG GLN 58 0.623 12.160 1.886 467 1HE2 GLN 58 2HE2 GLN 58 -0.157 12.018 5.955 468 2HE2 GLN 58 1HE2 GLN 58 -1.279 11.242 4.837 469 H ASP 59 H ASP 59 -3.234 14.282 0.286 470 HA ASP 59 HA ASP 59 -5.867 14.196 1.315 471 1HB ASP 59 1HB ASP 59 -4.167 16.069 0.350 472 2HB ASP 59 2HB ASP 59 -5.121 15.864 -1.093 473 H TYR 60 H TYR 60 -4.599 13.875 -2.027 474 HA TYR 60 HA TYR 60 -6.980 13.260 -3.347 475 1HB TYR 60 1HB TYR 60 -4.925 13.722 -4.561 476 2HB TYR 60 2HB TYR 60 -4.151 12.297 -3.870 477 HD1 TYR 60 2HD TYR 60 -7.512 12.807 -5.539 478 HD2 TYR 60 1HD TYR 60 -3.730 10.719 -5.549 479 HE1 TYR 60 2HE TYR 60 -8.289 11.438 -7.395 480 HE2 TYR 60 1HE TYR 60 -4.509 9.339 -7.464 481 HH TYR 60 HH TYR 60 -7.690 9.909 -9.008 482 H LEU 61 H LEU 61 -4.702 10.952 -1.818 483 HA LEU 61 HA LEU 61 -6.268 8.617 -2.435 484 1HB LEU 61 1HB LEU 61 -4.093 9.239 -0.447 485 2HB LEU 61 2HB LEU 61 -4.863 7.652 -0.487 486 HG LEU 61 HG LEU 61 -3.426 8.942 -2.864 487 1HD1 LEU 61 3HD1 LEU 61 -2.436 6.829 -0.902 488 2HD1 LEU 61 1HD1 LEU 61 -1.598 7.374 -2.377 489 3HD1 LEU 61 2HD1 LEU 61 -1.845 8.509 -1.052 490 1HD2 LEU 61 3HD2 LEU 61 -4.704 6.254 -2.361 491 2HD2 LEU 61 1HD2 LEU 61 -4.906 7.376 -3.728 492 3HD2 LEU 61 2HD2 LEU 61 -3.410 6.449 -3.568 493 H GLN 62 H GLN 62 -6.351 10.908 0.358 494 HA GLN 62 HA GLN 62 -8.246 9.371 1.880 495 1HB GLN 62 1HB GLN 62 -7.016 11.240 2.856 496 2HB GLN 62 2HB GLN 62 -7.760 12.394 1.783 497 1HG GLN 62 1HG GLN 62 -9.740 12.430 2.835 498 2HG GLN 62 2HG GLN 62 -9.719 10.723 3.278 499 1HE2 GLN 62 2HE2 GLN 62 -8.943 11.405 6.598 500 2HE2 GLN 62 1HE2 GLN 62 -9.625 10.328 5.409 501 H GLN 63 H GLN 63 -8.568 11.897 -0.534 502 HA GLN 63 HA GLN 63 -11.407 11.974 -0.646 503 1HB GLN 63 1HB GLN 63 -9.453 13.374 -1.916 504 2HB GLN 63 2HB GLN 63 -9.876 12.281 -3.220 505 1HG GLN 63 1HG GLN 63 -12.389 13.086 -2.366 506 2HG GLN 63 2HG GLN 63 -11.415 14.519 -2.020 507 1HE2 GLN 63 2HE2 GLN 63 -12.457 13.613 -5.847 508 2HE2 GLN 63 1HE2 GLN 63 -13.157 12.850 -4.431 509 H LEU 64 H LEU 64 -9.113 9.956 -2.425 510 HA LEU 64 HA LEU 64 -11.055 8.718 -4.153 511 1HB LEU 64 1HB LEU 64 -8.811 8.896 -4.954 512 2HB LEU 64 2HB LEU 64 -8.174 8.285 -3.448 513 HG LEU 64 HG LEU 64 -9.199 5.968 -4.090 514 1HD1 LEU 64 1HD1 LEU 64 -10.504 6.872 -6.033 515 2HD1 LEU 64 2HD1 LEU 64 -8.966 7.312 -6.823 516 3HD1 LEU 64 3HD1 LEU 64 -9.356 5.612 -6.494 517 1HD2 LEU 64 1HD2 LEU 64 -6.801 7.167 -5.509 518 2HD2 LEU 64 2HD2 LEU 64 -6.845 6.361 -3.921 519 3HD2 LEU 64 3HD2 LEU 64 -7.175 5.426 -5.380 520 H THR 65 H THR 65 -9.737 7.784 -0.925 521 HA THR 65 HA THR 65 -11.625 5.489 -0.967 522 HB THR 65 HB THR 65 -10.126 4.106 0.169 523 HG1 THR 65 HG1 THR 65 -8.916 5.037 1.553 524 1HG2 THR 65 3HG2 THR 65 -9.631 4.344 -2.271 525 2HG2 THR 65 1HG2 THR 65 -8.382 5.560 -1.861 526 3HG2 THR 65 2HG2 THR 65 -8.212 3.902 -1.302 527 H GLY 66 H GLY 66 -9.701 7.135 1.553 528 1HA GLY 66 1HA GLY 66 -11.735 8.647 2.726 529 2HA GLY 66 2HA GLY 66 -11.953 7.050 3.400 530 H ALA 67 H ALA 67 -8.599 7.116 3.188 531 HA ALA 67 HA ALA 67 -8.314 8.636 5.759 532 1HB ALA 67 1HB ALA 67 -8.212 6.212 6.175 533 2HB ALA 67 2HB ALA 67 -6.885 6.076 4.992 534 3HB ALA 67 3HB ALA 67 -6.669 7.016 6.481 535 H ARG 68 H ARG 68 -6.461 9.797 6.035 536 HA ARG 68 HA ARG 68 -4.901 10.443 3.598 537 1HB ARG 68 1HB ARG 68 -4.497 12.508 4.473 538 2HB ARG 68 2HB ARG 68 -6.080 12.160 5.128 539 1HG ARG 68 1HG ARG 68 -4.709 11.333 7.266 540 2HG ARG 68 2HG ARG 68 -3.403 12.254 6.518 541 1HD ARG 68 1HD ARG 68 -4.350 13.917 7.808 542 2HD ARG 68 2HD ARG 68 -5.263 14.135 6.329 543 HE ARG 68 HE ARG 68 -6.241 12.447 8.577 544 1HH1 ARG 68 2HH2 ARG 68 -6.940 15.114 6.348 545 2HH1 ARG 68 1HH2 ARG 68 -8.297 15.717 7.220 546 1HH2 ARG 68 2HH1 ARG 68 -8.082 13.162 9.746 547 2HH2 ARG 68 1HH1 ARG 68 -9.049 14.467 9.157 548 H THR 69 H THR 69 -4.524 8.892 6.771 549 HA THR 69 HA THR 69 -1.775 9.362 7.186 550 HB THR 69 HB THR 69 -1.991 7.173 8.518 551 HG1 THR 69 HG1 THR 69 -3.763 6.451 7.160 552 1HG2 THR 69 3HG2 THR 69 -4.012 9.394 9.052 553 2HG2 THR 69 1HG2 THR 69 -3.459 8.191 10.239 554 3HG2 THR 69 2HG2 THR 69 -2.317 9.370 9.572 555 H VAL 70 H VAL 70 0.053 8.361 6.406 556 HA VAL 70 HA VAL 70 -0.267 6.320 4.324 557 HB VAL 70 HB VAL 70 2.420 6.722 4.401 558 1HG1 VAL 70 2HG1 VAL 70 0.830 6.943 2.465 559 2HG1 VAL 70 3HG1 VAL 70 0.581 8.645 2.973 560 3HG1 VAL 70 1HG1 VAL 70 2.187 8.065 2.483 561 1HG2 VAL 70 1HG2 VAL 70 1.235 9.467 5.165 562 2HG2 VAL 70 2HG2 VAL 70 2.311 8.491 6.190 563 3HG2 VAL 70 3HG2 VAL 70 2.863 9.149 4.638 564 HA PRO 71 HA PRO 71 1.462 4.711 3.540 565 1HB PRO 71 1HB PRO 71 1.185 1.974 3.386 566 2HB PRO 71 2HB PRO 71 2.703 2.786 3.870 567 1HG PRO 71 1HG PRO 71 0.556 1.639 5.673 568 2HG PRO 71 2HG PRO 71 2.333 1.400 5.753 569 1HD PRO 71 1HD PRO 71 1.095 3.233 7.303 570 2HD PRO 71 2HD PRO 71 2.700 3.557 6.607 571 H ARG 72 H ARG 72 -0.035 3.642 1.847 572 HA ARG 72 HA ARG 72 -2.714 2.848 2.871 573 1HB ARG 72 1HB ARG 72 -2.179 4.837 0.648 574 2HB ARG 72 2HB ARG 72 -3.259 3.517 0.277 575 1HG ARG 72 1HG ARG 72 -4.592 5.371 0.901 576 2HG ARG 72 2HG ARG 72 -4.770 4.086 2.088 577 1HD ARG 72 1HD ARG 72 -4.704 6.366 3.063 578 2HD ARG 72 2HD ARG 72 -3.523 5.235 3.717 579 HE ARG 72 HE ARG 72 -1.795 6.285 2.665 580 1HH1 ARG 72 2HH2 ARG 72 -4.759 8.241 2.371 581 2HH1 ARG 72 1HH2 ARG 72 -3.996 9.616 1.694 582 1HH2 ARG 72 2HH1 ARG 72 -0.756 8.061 1.646 583 2HH2 ARG 72 1HH1 ARG 72 -1.650 9.483 1.246 584 H VAL 73 H VAL 73 -2.628 0.663 2.545 585 HA VAL 73 HA VAL 73 -0.908 -0.400 0.365 586 HB VAL 73 HB VAL 73 -2.497 -1.686 2.612 587 1HG1 VAL 73 3HG1 VAL 73 -1.093 -3.024 0.239 588 2HG1 VAL 73 1HG1 VAL 73 -1.677 -3.892 1.681 589 3HG1 VAL 73 2HG1 VAL 73 -2.814 -3.106 0.613 590 1HG2 VAL 73 3HG2 VAL 73 0.466 -1.706 2.006 591 2HG2 VAL 73 1HG2 VAL 73 -0.343 -0.817 3.317 592 3HG2 VAL 73 2HG2 VAL 73 -0.334 -2.584 3.306 593 H PHE 74 H PHE 74 -1.772 -0.697 -1.567 594 HA PHE 74 HA PHE 74 -4.680 -1.130 -1.859 595 1HB PHE 74 1HB PHE 74 -2.644 -0.056 -3.842 596 2HB PHE 74 2HB PHE 74 -4.174 -0.758 -4.323 597 HD1 PHE 74 2HD PHE 74 -2.714 1.988 -2.227 598 HD2 PHE 74 1HD PHE 74 -6.171 0.521 -4.349 599 HE1 PHE 74 2HE PHE 74 -3.878 4.152 -1.861 600 HE2 PHE 74 1HE PHE 74 -7.327 2.679 -3.972 601 HZ PHE 74 HZ PHE 74 -6.190 4.487 -2.712 602 H ILE 75 H ILE 75 -5.157 -3.206 -2.221 603 HA ILE 75 HA ILE 75 -3.133 -4.975 -3.493 604 HB ILE 75 HB ILE 75 -4.773 -5.469 -1.072 605 1HG1 ILE 75 1HG1 ILE 75 -3.152 -7.501 -0.980 606 2HG1 ILE 75 2HG1 ILE 75 -2.289 -6.662 -2.283 607 1HG2 ILE 75 3HG2 ILE 75 -4.663 -7.499 -3.360 608 2HG2 ILE 75 1HG2 ILE 75 -5.111 -7.928 -1.722 609 3HG2 ILE 75 2HG2 ILE 75 -6.138 -6.831 -2.623 610 1HD1 ILE 75 3HD1 ILE 75 -2.018 -4.784 -0.750 611 2HD1 ILE 75 1HD1 ILE 75 -2.792 -5.749 0.549 612 3HD1 ILE 75 2HD1 ILE 75 -1.263 -6.282 -0.166 613 H GLY 76 H GLY 76 -3.714 -5.147 -5.571 614 1HA GLY 76 1HA GLY 76 -4.955 -5.271 -7.486 615 2HA GLY 76 2HA GLY 76 -6.177 -6.082 -6.502 616 H LYS 77 H LYS 77 -4.957 -2.713 -6.988 617 HA LYS 77 HA LYS 77 -5.929 -0.793 -6.719 618 1HB LYS 77 1HB LYS 77 -6.310 -1.824 -9.174 619 2HB LYS 77 2HB LYS 77 -7.982 -1.459 -8.788 620 1HG LYS 77 1HG LYS 77 -6.125 0.743 -8.051 621 2HG LYS 77 2HG LYS 77 -5.956 0.263 -9.728 622 1HD LYS 77 1HD LYS 77 -8.317 0.758 -10.146 623 2HD LYS 77 2HD LYS 77 -8.615 1.013 -8.419 624 1HE LYS 77 1HE LYS 77 -6.967 2.922 -8.456 625 2HE LYS 77 2HE LYS 77 -6.845 2.718 -10.215 626 1HZ LYS 77 2HZ LYS 77 -9.302 3.061 -10.250 627 2HZ LYS 77 3HZ LYS 77 -9.275 3.450 -8.687 628 3HZ LYS 77 1HZ LYS 77 -8.485 4.408 -9.771 629 H ASP 78 H ASP 78 -7.049 -2.470 -4.621 630 HA ASP 78 HA ASP 78 -8.837 -0.237 -4.067 631 1HB ASP 78 1HB ASP 78 -10.125 -2.633 -4.460 632 2HB ASP 78 2HB ASP 78 -9.820 -2.678 -2.716 633 H CYS 79 H CYS 79 -8.916 0.250 -1.774 634 HA CYS 79 HA CYS 79 -6.181 -0.165 -0.728 635 1HB CYS 79 1HB CYS 79 -7.173 2.138 -0.953 636 2HB CYS 79 2HB CYS 79 -8.311 1.706 0.355 637 HG CYS 79 HG CYS 79 -6.597 2.933 1.713 638 H ILE 80 H ILE 80 -5.806 -1.520 1.033 639 HA ILE 80 HA ILE 80 -8.101 -2.755 2.342 640 HB ILE 80 HB ILE 80 -6.617 -4.277 3.177 641 1HG1 ILE 80 1HG1 ILE 80 -4.016 -3.893 2.667 642 2HG1 ILE 80 2HG1 ILE 80 -4.517 -2.201 2.769 643 1HG2 ILE 80 1HG2 ILE 80 -6.962 -4.354 0.680 644 2HG2 ILE 80 2HG2 ILE 80 -5.355 -3.632 0.494 645 3HG2 ILE 80 3HG2 ILE 80 -5.523 -5.213 1.278 646 1HD1 ILE 80 2HD1 ILE 80 -5.542 -2.879 5.087 647 2HD1 ILE 80 3HD1 ILE 80 -4.601 -4.360 4.884 648 3HD1 ILE 80 1HD1 ILE 80 -3.788 -2.777 4.933 649 H GLY 81 H GLY 81 -5.840 -0.176 2.882 650 1HA GLY 81 1HA GLY 81 -6.865 1.423 4.637 651 2HA GLY 81 2HA GLY 81 -6.574 0.071 5.735 652 H GLY 82 H GLY 82 -5.342 1.996 6.657 653 1HA GLY 82 1HA GLY 82 -2.585 2.306 5.685 654 2HA GLY 82 2HA GLY 82 -3.293 3.085 7.114 655 H CYS 83 H CYS 83 -1.222 2.350 8.278 656 HA CYS 83 HA CYS 83 -0.466 -0.412 8.262 657 1HB CYS 83 1HB CYS 83 0.916 1.802 8.818 658 2HB CYS 83 2HB CYS 83 0.376 1.471 10.468 659 HG CYS 83 HG CYS 83 2.868 0.585 9.297 660 H SER 84 H SER 84 -2.465 1.678 10.398 661 HA SER 84 HA SER 84 -2.497 -0.212 12.483 662 1HB SER 84 1HB SER 84 -4.577 1.046 13.228 663 2HB SER 84 2HB SER 84 -3.076 1.968 13.091 664 HG SER 84 HG SER 84 -5.183 2.763 12.168 665 H ASP 85 H ASP 85 -4.622 0.264 9.701 666 HA ASP 85 HA ASP 85 -6.482 -1.863 10.260 667 1HB ASP 85 1HB ASP 85 -5.678 -0.256 7.825 668 2HB ASP 85 2HB ASP 85 -6.681 -1.687 7.638 669 H LEU 86 H LEU 86 -3.596 -1.628 8.145 670 HA LEU 86 HA LEU 86 -3.541 -4.176 7.073 671 1HB LEU 86 1HB LEU 86 -2.039 -2.275 6.432 672 2HB LEU 86 2HB LEU 86 -1.182 -2.481 7.959 673 HG LEU 86 HG LEU 86 -0.518 -4.810 7.226 674 1HD1 LEU 86 2HD1 LEU 86 -1.716 -3.893 4.572 675 2HD1 LEU 86 3HD1 LEU 86 -0.662 -5.303 4.790 676 3HD1 LEU 86 1HD1 LEU 86 -2.247 -5.269 5.562 677 1HD2 LEU 86 3HD2 LEU 86 0.323 -2.459 5.501 678 2HD2 LEU 86 1HD2 LEU 86 0.992 -2.934 7.074 679 3HD2 LEU 86 2HD2 LEU 86 1.218 -3.990 5.673 680 H VAL 87 H VAL 87 -2.294 -3.151 10.300 681 HA VAL 87 HA VAL 87 -1.017 -5.537 10.993 682 HB VAL 87 HB VAL 87 -2.223 -3.149 12.376 683 1HG1 VAL 87 1HG1 VAL 87 -1.260 -5.604 13.856 684 2HG1 VAL 87 2HG1 VAL 87 -1.524 -3.985 14.567 685 3HG1 VAL 87 3HG1 VAL 87 -2.890 -4.881 13.910 686 1HG2 VAL 87 1HG2 VAL 87 0.081 -3.124 11.370 687 2HG2 VAL 87 2HG2 VAL 87 0.077 -2.832 13.120 688 3HG2 VAL 87 3HG2 VAL 87 0.544 -4.422 12.486 689 H SER 88 H SER 88 -4.583 -4.680 11.294 690 HA SER 88 HA SER 88 -5.256 -7.146 12.643 691 1HB SER 88 1HB SER 88 -6.763 -5.071 11.099 692 2HB SER 88 2HB SER 88 -7.361 -6.701 10.863 693 HG SER 88 HG SER 88 -8.296 -5.542 12.612 694 H LEU 89 H LEU 89 -5.047 -6.164 9.183 695 HA LEU 89 HA LEU 89 -6.118 -8.657 8.282 696 1HB LEU 89 1HB LEU 89 -4.476 -6.579 6.778 697 2HB LEU 89 2HB LEU 89 -5.123 -8.041 6.074 698 HG LEU 89 HG LEU 89 -7.453 -7.247 6.962 699 1HD1 LEU 89 1HD1 LEU 89 -5.948 -4.624 6.883 700 2HD1 LEU 89 2HD1 LEU 89 -7.711 -4.768 6.740 701 3HD1 LEU 89 3HD1 LEU 89 -6.910 -5.318 8.206 702 1HD2 LEU 89 2HD2 LEU 89 -6.020 -6.105 4.536 703 2HD2 LEU 89 3HD2 LEU 89 -6.951 -7.613 4.629 704 3HD2 LEU 89 1HD2 LEU 89 -7.782 -6.063 4.790 705 H GLN 90 H GLN 90 -2.781 -7.693 9.158 706 HA GLN 90 HA GLN 90 -1.652 -10.212 8.261 707 1HB GLN 90 1HB GLN 90 -0.306 -8.179 8.563 708 2HB GLN 90 2HB GLN 90 -0.607 -8.197 10.291 709 1HG GLN 90 1HG GLN 90 0.465 -10.776 9.208 710 2HG GLN 90 2HG GLN 90 1.526 -9.400 8.997 711 1HE2 GLN 90 2HE2 GLN 90 2.740 -9.990 12.260 712 2HE2 GLN 90 1HE2 GLN 90 3.146 -9.972 10.550 713 H GLN 91 H GLN 91 -2.668 -8.967 11.571 714 HA GLN 91 HA GLN 91 -1.990 -11.176 12.968 715 1HB GLN 91 1HB GLN 91 -3.210 -8.617 13.333 716 2HB GLN 91 2HB GLN 91 -4.331 -9.726 14.038 717 1HG GLN 91 1HG GLN 91 -1.353 -9.779 14.681 718 2HG GLN 91 2HG GLN 91 -2.488 -8.670 15.439 719 1HE2 GLN 91 2HE2 GLN 91 -2.690 -12.721 16.296 720 2HE2 GLN 91 1HE2 GLN 91 -1.585 -12.092 15.085 721 H SER 92 H SER 92 -5.224 -10.321 11.781 722 HA SER 92 HA SER 92 -6.622 -12.727 12.488 723 1HB SER 92 1HB SER 92 -7.538 -10.387 11.982 724 2HB SER 92 2HB SER 92 -7.168 -10.680 10.278 725 HG SER 92 HG SER 92 -8.936 -12.122 11.959 726 H GLY 93 H GLY 93 -4.608 -11.668 9.746 727 1HA GLY 93 1HA GLY 93 -3.618 -12.982 8.134 728 2HA GLY 93 2HA GLY 93 -4.686 -14.335 8.517 729 H GLU 94 H GLU 94 -6.408 -11.239 8.134 730 HA GLU 94 HA GLU 94 -7.919 -12.242 5.933 731 1HB GLU 94 1HB GLU 94 -8.340 -10.269 7.652 732 2HB GLU 94 2HB GLU 94 -7.373 -9.338 6.535 733 1HG GLU 94 1HG GLU 94 -9.561 -8.879 5.876 734 2HG GLU 94 2HG GLU 94 -9.013 -10.034 4.677 735 H LEU 95 H LEU 95 -4.918 -10.473 6.206 736 HA LEU 95 HA LEU 95 -4.671 -9.294 3.683 737 1HB LEU 95 1HB LEU 95 -3.227 -8.995 5.809 738 2HB LEU 95 2HB LEU 95 -2.399 -10.463 5.354 739 HG LEU 95 HG LEU 95 -1.520 -9.370 3.356 740 1HD1 LEU 95 3HD1 LEU 95 -3.283 -7.015 4.168 741 2HD1 LEU 95 1HD1 LEU 95 -1.941 -6.889 3.011 742 3HD1 LEU 95 2HD1 LEU 95 -3.317 -7.922 2.632 743 1HD2 LEU 95 1HD2 LEU 95 -0.359 -9.061 5.532 744 2HD2 LEU 95 2HD2 LEU 95 -0.144 -7.652 4.493 745 3HD2 LEU 95 3HD2 LEU 95 -1.305 -7.597 5.838 746 H LEU 96 H LEU 96 -4.102 -12.644 4.717 747 HA LEU 96 HA LEU 96 -2.502 -13.399 2.424 748 1HB LEU 96 1HB LEU 96 -3.985 -15.047 4.498 749 2HB LEU 96 2HB LEU 96 -3.143 -15.719 3.108 750 HG LEU 96 HG LEU 96 -1.122 -14.180 3.933 751 1HD1 LEU 96 1HD1 LEU 96 -2.679 -14.681 6.507 752 2HD1 LEU 96 2HD1 LEU 96 -0.972 -14.160 6.419 753 3HD1 LEU 96 3HD1 LEU 96 -2.247 -13.103 5.826 754 1HD2 LEU 96 2HD2 LEU 96 -1.885 -16.832 5.170 755 2HD2 LEU 96 3HD2 LEU 96 -1.043 -16.569 3.627 756 3HD2 LEU 96 1HD2 LEU 96 -0.247 -16.115 5.136 757 H THR 97 H THR 97 -5.985 -13.904 3.319 758 HA THR 97 HA THR 97 -6.762 -15.056 0.863 759 HB THR 97 HB THR 97 -8.430 -13.282 2.719 760 HG1 THR 97 HG1 THR 97 -8.690 -15.088 3.990 761 1HG2 THR 97 3HG2 THR 97 -9.597 -14.091 0.672 762 2HG2 THR 97 1HG2 THR 97 -9.169 -15.764 1.096 763 3HG2 THR 97 2HG2 THR 97 -10.263 -14.826 2.138 764 H ARG 98 H ARG 98 -6.829 -11.630 1.981 765 HA ARG 98 HA ARG 98 -7.871 -10.361 -0.292 766 1HB ARG 98 1HB ARG 98 -7.333 -9.368 1.948 767 2HB ARG 98 2HB ARG 98 -5.641 -9.294 1.454 768 1HG ARG 98 1HG ARG 98 -6.006 -7.431 0.272 769 2HG ARG 98 2HG ARG 98 -7.268 -8.199 -0.702 770 1HD ARG 98 1HD ARG 98 -7.589 -6.846 1.963 771 2HD ARG 98 2HD ARG 98 -8.053 -6.219 0.358 772 HE ARG 98 HE ARG 98 -9.629 -8.203 0.231 773 1HH1 ARG 98 2HH2 ARG 98 -9.448 -5.982 2.855 774 2HH1 ARG 98 1HH2 ARG 98 -10.423 -6.850 4.010 775 1HH2 ARG 98 2HH1 ARG 98 -11.397 -9.232 1.528 776 2HH2 ARG 98 1HH1 ARG 98 -11.777 -8.523 3.041 777 H LEU 99 H LEU 99 -4.407 -11.161 0.401 778 HA LEU 99 HA LEU 99 -3.462 -10.243 -2.137 779 1HB LEU 99 1HB LEU 99 -2.424 -12.046 0.083 780 2HB LEU 99 2HB LEU 99 -1.472 -11.821 -1.357 781 HG LEU 99 HG LEU 99 -2.436 -9.432 0.236 782 1HD1 LEU 99 1HD1 LEU 99 0.134 -11.033 0.523 783 2HD1 LEU 99 2HD1 LEU 99 -0.212 -9.464 1.304 784 3HD1 LEU 99 3HD1 LEU 99 -1.155 -10.903 1.712 785 1HD2 LEU 99 2HD2 LEU 99 -0.173 -9.863 -1.774 786 2HD2 LEU 99 3HD2 LEU 99 -1.664 -8.984 -2.082 787 3HD2 LEU 99 1HD2 LEU 99 -0.499 -8.361 -0.898 788 H LYS 100 H LYS 100 -4.419 -13.571 -1.045 789 HA LYS 100 HA LYS 100 -3.543 -14.659 -3.576 790 1HB LYS 100 1HB LYS 100 -4.844 -15.705 -1.128 791 2HB LYS 100 2HB LYS 100 -5.410 -16.480 -2.593 792 1HG LYS 100 1HG LYS 100 -2.881 -16.664 -3.280 793 2HG LYS 100 2HG LYS 100 -2.538 -16.170 -1.628 794 1HD LYS 100 1HD LYS 100 -3.908 -18.097 -0.774 795 2HD LYS 100 2HD LYS 100 -4.275 -18.585 -2.426 796 1HE LYS 100 1HE LYS 100 -1.512 -18.614 -1.138 797 2HE LYS 100 2HE LYS 100 -2.573 -19.995 -1.330 798 1HZ LYS 100 2HZ LYS 100 -2.453 -19.604 -3.768 799 2HZ LYS 100 3HZ LYS 100 -1.189 -18.562 -3.503 800 3HZ LYS 100 1HZ LYS 100 -1.092 -20.127 -3.038 801 H GLN 101 H GLN 101 -6.585 -13.175 -2.626 802 HA GLN 101 HA GLN 101 -8.189 -13.874 -4.803 803 1HB GLN 101 1HB GLN 101 -8.718 -12.325 -2.837 804 2HB GLN 101 2HB GLN 101 -7.785 -11.081 -3.677 805 1HG GLN 101 1HG GLN 101 -9.949 -10.575 -4.152 806 2HG GLN 101 2HG GLN 101 -9.397 -11.333 -5.639 807 1HE2 GLN 101 2HE2 GLN 101 -12.669 -12.763 -3.827 808 2HE2 GLN 101 1HE2 GLN 101 -11.958 -11.178 -3.509 809 H ILE 102 H ILE 102 -5.385 -11.581 -4.694 810 HA ILE 102 HA ILE 102 -5.734 -11.005 -7.554 811 HB ILE 102 HB ILE 102 -4.454 -9.144 -7.274 812 1HG1 ILE 102 1HG1 ILE 102 -3.499 -9.195 -4.497 813 2HG1 ILE 102 2HG1 ILE 102 -2.912 -10.565 -5.375 814 1HG2 ILE 102 1HG2 ILE 102 -6.634 -9.088 -6.010 815 2HG2 ILE 102 2HG2 ILE 102 -5.729 -9.383 -4.523 816 3HG2 ILE 102 3HG2 ILE 102 -5.410 -7.914 -5.467 817 1HD1 ILE 102 1HD1 ILE 102 -2.030 -9.131 -7.148 818 2HD1 ILE 102 2HD1 ILE 102 -2.656 -7.693 -6.302 819 3HD1 ILE 102 3HD1 ILE 102 -1.361 -8.678 -5.576 820 H GLY 103 H GLY 103 -4.588 -13.642 -6.249 821 1HA GLY 103 1HA GLY 103 -3.250 -15.278 -7.134 822 2HA GLY 103 2HA GLY 103 -2.817 -14.170 -8.438 823 H ALA 104 H ALA 104 -2.174 -13.186 -5.094 824 HA ALA 104 HA ALA 104 0.619 -12.612 -5.751 825 1HB ALA 104 2HB ALA 104 -1.095 -12.716 -3.203 826 2HB ALA 104 3HB ALA 104 0.518 -12.011 -3.270 827 3HB ALA 104 1HB ALA 104 -0.842 -11.252 -4.165 828 H LEU 105 H LEU 105 -0.800 -14.727 -3.073 829 HA LEU 105 HA LEU 105 1.849 -15.421 -2.625 830 1HB LEU 105 1HB LEU 105 -0.430 -17.017 -1.608 831 2HB LEU 105 2HB LEU 105 1.118 -16.721 -0.929 832 HG LEU 105 HG LEU 105 -1.024 -14.596 -1.036 833 1HD1 LEU 105 2HD1 LEU 105 0.064 -16.234 1.298 834 2HD1 LEU 105 3HD1 LEU 105 -1.103 -14.897 1.413 835 3HD1 LEU 105 1HD1 LEU 105 -1.548 -16.395 0.581 836 1HD2 LEU 105 3HD2 LEU 105 1.755 -14.599 0.213 837 2HD2 LEU 105 1HD2 LEU 105 1.204 -13.611 -1.151 838 3HD2 LEU 105 2HD2 LEU 105 0.517 -13.345 0.457 839 H GLN 106 H GLN 106 2.953 -17.111 -3.075 840 HA GLN 106 HA GLN 106 2.358 -18.110 -5.743 841 1HB GLN 106 2HB GLN 106 4.439 -16.880 -5.115 842 2HB GLN 106 3HB GLN 106 4.911 -18.231 -4.090 843 1HG GLN 106 2HG GLN 106 4.901 -19.710 -6.144 844 2HG GLN 106 3HG GLN 106 4.523 -18.280 -7.119 845 1HE2 GLN 106 2HE2 GLN 106 8.295 -18.750 -5.434 846 2HE2 GLN 106 1HE2 GLN 106 6.908 -19.687 -4.878 No H/Q in entry = 846 Start of MODEL 9 1 1H ALA 2 1H ALA 2 -3.761 15.450 -6.097 2 2H ALA 2 2H ALA 2 -2.463 14.737 -5.399 3 3H ALA 2 3H ALA 2 -2.390 16.310 -5.889 4 HA ALA 2 HA ALA 2 -2.556 15.772 -8.146 5 1HB ALA 2 1HB ALA 2 -0.284 15.730 -7.195 6 2HB ALA 2 2HB ALA 2 -0.479 14.015 -6.776 7 3HB ALA 2 3HB ALA 2 -0.462 14.515 -8.480 8 H GLN 3 H GLN 3 -4.208 14.755 -9.119 9 HA GLN 3 HA GLN 3 -5.177 12.132 -8.203 10 1HB GLN 3 1HB GLN 3 -6.251 14.116 -10.246 11 2HB GLN 3 2HB GLN 3 -7.065 12.642 -9.727 12 1HG GLN 3 1HG GLN 3 -8.024 13.677 -8.029 13 2HG GLN 3 2HG GLN 3 -6.467 14.117 -7.337 14 1HE2 GLN 3 2HE2 GLN 3 -7.254 17.527 -7.865 15 2HE2 GLN 3 1HE2 GLN 3 -6.478 16.312 -6.879 16 H GLU 4 H GLU 4 -2.784 11.569 -9.198 17 HA GLU 4 HA GLU 4 -3.294 10.182 -11.742 18 1HB GLU 4 1HB GLU 4 -2.821 12.456 -12.586 19 2HB GLU 4 2HB GLU 4 -1.294 12.495 -11.687 20 1HG GLU 4 1HG GLU 4 -0.461 10.559 -12.993 21 2HG GLU 4 2HG GLU 4 -2.016 10.428 -13.822 22 H PHE 5 H PHE 5 -0.541 11.461 -9.739 23 HA PHE 5 HA PHE 5 1.281 9.542 -10.384 24 1HB PHE 5 1HB PHE 5 1.776 11.507 -9.024 25 2HB PHE 5 2HB PHE 5 0.896 10.835 -7.659 26 HD1 PHE 5 1HD PHE 5 3.993 10.614 -9.691 27 HD2 PHE 5 2HD PHE 5 1.870 9.018 -6.284 28 HE1 PHE 5 1HE PHE 5 6.076 9.552 -8.878 29 HE2 PHE 5 2HE PHE 5 3.969 7.977 -5.480 30 HZ PHE 5 HZ PHE 5 6.070 8.237 -6.759 31 H VAL 6 H VAL 6 -1.082 9.259 -7.716 32 HA VAL 6 HA VAL 6 -0.330 6.621 -6.906 33 HB VAL 6 HB VAL 6 -2.717 8.436 -6.519 34 1HG1 VAL 6 1HG1 VAL 6 -2.533 5.598 -5.465 35 2HG1 VAL 6 2HG1 VAL 6 -3.657 6.830 -4.876 36 3HG1 VAL 6 3HG1 VAL 6 -3.787 6.256 -6.536 37 1HG2 VAL 6 3HG2 VAL 6 -0.574 8.793 -5.241 38 2HG2 VAL 6 1HG2 VAL 6 -1.987 8.473 -4.208 39 3HG2 VAL 6 2HG2 VAL 6 -0.800 7.202 -4.497 40 H ASN 7 H ASN 7 -3.011 7.796 -9.004 41 HA ASN 7 HA ASN 7 -4.182 5.318 -9.491 42 1HB ASN 7 1HB ASN 7 -4.145 7.886 -11.131 43 2HB ASN 7 2HB ASN 7 -5.043 6.454 -11.624 44 1HD2 ASN 7 2HD2 ASN 7 -7.829 7.657 -9.794 45 2HD2 ASN 7 1HD2 ASN 7 -7.152 7.411 -11.379 46 H CYS 8 H CYS 8 -1.523 6.926 -11.235 47 HA CYS 8 HA CYS 8 -1.359 4.961 -13.326 48 1HB CYS 8 1HB CYS 8 -0.544 7.351 -13.434 49 2HB CYS 8 2HB CYS 8 0.772 6.899 -12.341 50 HG CYS 8 HG CYS 8 1.559 4.840 -13.926 51 H LYS 9 H LYS 9 0.028 5.067 -9.997 52 HA LYS 9 HA LYS 9 1.979 2.971 -10.700 53 1HB LYS 9 1HB LYS 9 1.163 4.129 -8.008 54 2HB LYS 9 2HB LYS 9 2.324 2.818 -8.201 55 1HG LYS 9 1HG LYS 9 2.630 5.642 -9.246 56 2HG LYS 9 2HG LYS 9 3.471 4.932 -7.885 57 1HD LYS 9 1HD LYS 9 4.577 3.311 -9.402 58 2HD LYS 9 2HD LYS 9 3.753 4.070 -10.786 59 1HE LYS 9 1HE LYS 9 4.823 6.268 -10.049 60 2HE LYS 9 2HE LYS 9 5.864 5.296 -8.989 61 1HZ LYS 9 3HZ LYS 9 6.565 4.076 -11.009 62 2HZ LYS 9 1HZ LYS 9 5.594 5.032 -11.925 63 3HZ LYS 9 2HZ LYS 9 6.882 5.682 -11.137 64 H ILE 10 H ILE 10 -1.243 3.026 -8.974 65 HA ILE 10 HA ILE 10 -0.990 0.253 -8.321 66 HB ILE 10 HB ILE 10 -3.608 1.667 -8.823 67 1HG1 ILE 10 1HG1 ILE 10 -2.639 1.714 -5.991 68 2HG1 ILE 10 2HG1 ILE 10 -1.790 2.824 -7.043 69 1HG2 ILE 10 2HG2 ILE 10 -2.733 -0.541 -6.896 70 2HG2 ILE 10 3HG2 ILE 10 -4.326 0.229 -6.880 71 3HG2 ILE 10 1HG2 ILE 10 -3.813 -0.702 -8.302 72 1HD1 ILE 10 2HD1 ILE 10 -4.812 2.657 -6.922 73 2HD1 ILE 10 3HD1 ILE 10 -3.809 3.822 -6.031 74 3HD1 ILE 10 1HD1 ILE 10 -3.829 3.843 -7.809 75 H GLN 11 H GLN 11 -1.930 -1.596 -9.413 76 HA GLN 11 HA GLN 11 -3.022 -1.212 -12.093 77 1HB GLN 11 1HB GLN 11 -0.577 -1.318 -12.366 78 2HB GLN 11 2HB GLN 11 -0.502 -2.827 -11.470 79 1HG GLN 11 1HG GLN 11 -1.657 -4.007 -13.252 80 2HG GLN 11 2HG GLN 11 -1.985 -2.485 -14.100 81 1HE2 GLN 11 2HE2 GLN 11 1.232 -2.178 -15.586 82 2HE2 GLN 11 1HE2 GLN 11 -0.373 -1.551 -15.451 83 HA PRO 12 HA PRO 12 -5.468 -4.496 -10.286 84 1HB PRO 12 1HB PRO 12 -6.350 -5.860 -12.531 85 2HB PRO 12 2HB PRO 12 -7.045 -4.325 -11.932 86 1HG PRO 12 1HG PRO 12 -4.961 -4.714 -14.102 87 2HG PRO 12 2HG PRO 12 -6.427 -3.684 -14.148 88 1HD PRO 12 1HD PRO 12 -4.022 -2.625 -13.589 89 2HD PRO 12 2HD PRO 12 -5.452 -2.090 -12.673 90 H GLY 13 H GLY 13 -4.867 -6.407 -9.479 91 1HA GLY 13 1HA GLY 13 -3.693 -8.361 -9.131 92 2HA GLY 13 2HA GLY 13 -3.082 -8.257 -10.766 93 H LYS 14 H LYS 14 -2.363 -5.380 -8.902 94 HA LYS 14 HA LYS 14 0.282 -6.534 -8.111 95 1HB LYS 14 1HB LYS 14 -0.379 -4.060 -9.650 96 2HB LYS 14 2HB LYS 14 0.665 -3.776 -8.279 97 1HG LYS 14 1HG LYS 14 1.808 -6.050 -9.419 98 2HG LYS 14 2HG LYS 14 1.241 -5.185 -10.821 99 1HD LYS 14 1HD LYS 14 2.828 -3.679 -8.711 100 2HD LYS 14 2HD LYS 14 3.659 -4.841 -9.707 101 1HE LYS 14 1HE LYS 14 2.075 -2.482 -10.815 102 2HE LYS 14 2HE LYS 14 3.828 -2.544 -10.574 103 1HZ LYS 14 1HZ LYS 14 3.810 -4.523 -12.087 104 2HZ LYS 14 2HZ LYS 14 2.252 -4.117 -12.501 105 3HZ LYS 14 3HZ LYS 14 3.472 -3.078 -12.784 106 H VAL 15 H VAL 15 1.330 -5.174 -6.300 107 HA VAL 15 HA VAL 15 -0.737 -4.473 -4.302 108 HB VAL 15 HB VAL 15 1.834 -6.034 -3.742 109 1HG1 VAL 15 2HG1 VAL 15 -0.534 -5.097 -2.132 110 2HG1 VAL 15 3HG1 VAL 15 0.593 -6.335 -1.529 111 3HG1 VAL 15 1HG1 VAL 15 1.152 -4.686 -1.861 112 1HG2 VAL 15 2HG2 VAL 15 -1.001 -7.066 -3.953 113 2HG2 VAL 15 3HG2 VAL 15 0.377 -7.497 -4.986 114 3HG2 VAL 15 1HG2 VAL 15 0.403 -7.951 -3.294 115 H VAL 16 H VAL 16 -0.545 -2.323 -4.006 116 HA VAL 16 HA VAL 16 2.169 -1.126 -4.117 117 HB VAL 16 HB VAL 16 -0.376 0.076 -5.276 118 1HG1 VAL 16 2HG1 VAL 16 2.560 0.866 -5.411 119 2HG1 VAL 16 3HG1 VAL 16 1.220 1.712 -6.226 120 3HG1 VAL 16 1HG1 VAL 16 1.321 1.706 -4.460 121 1HG2 VAL 16 3HG2 VAL 16 1.925 -1.454 -6.552 122 2HG2 VAL 16 1HG2 VAL 16 0.183 -1.769 -6.699 123 3HG2 VAL 16 2HG2 VAL 16 0.900 -0.343 -7.474 124 H VAL 17 H VAL 17 2.639 -0.537 -2.165 125 HA VAL 17 HA VAL 17 0.589 0.774 -0.483 126 HB VAL 17 HB VAL 17 3.353 -0.113 0.402 127 1HG1 VAL 17 2HG1 VAL 17 2.254 1.677 1.746 128 2HG1 VAL 17 3HG1 VAL 17 0.846 0.631 1.971 129 3HG1 VAL 17 1HG1 VAL 17 2.425 0.170 2.648 130 1HG2 VAL 17 1HG2 VAL 17 0.706 -1.604 0.494 131 2HG2 VAL 17 2HG2 VAL 17 2.243 -2.186 -0.106 132 3HG2 VAL 17 3HG2 VAL 17 2.049 -1.932 1.627 133 H PHE 18 H PHE 18 0.619 2.912 -0.532 134 HA PHE 18 HA PHE 18 2.949 4.368 -1.638 135 1HB PHE 18 1HB PHE 18 0.217 5.265 -0.604 136 2HB PHE 18 2HB PHE 18 1.443 6.397 -1.157 137 HD1 PHE 18 2HD PHE 18 2.285 6.259 -3.562 138 HD2 PHE 18 1HD PHE 18 -1.006 3.863 -2.148 139 HE1 PHE 18 2HE PHE 18 1.665 5.717 -5.909 140 HE2 PHE 18 1HE PHE 18 -1.618 3.321 -4.486 141 HZ PHE 18 HZ PHE 18 -0.311 4.272 -6.358 142 H ILE 19 H ILE 19 4.457 5.258 -0.348 143 HA ILE 19 HA ILE 19 4.110 5.276 2.581 144 HB ILE 19 HB ILE 19 6.326 4.211 2.757 145 1HG1 ILE 19 1HG1 ILE 19 6.358 3.045 0.024 146 2HG1 ILE 19 2HG1 ILE 19 6.782 4.748 0.129 147 1HG2 ILE 19 1HG2 ILE 19 4.213 2.895 2.946 148 2HG2 ILE 19 2HG2 ILE 19 4.446 2.374 1.259 149 3HG2 ILE 19 3HG2 ILE 19 5.633 1.945 2.500 150 1HD1 ILE 19 1HD1 ILE 19 8.130 2.593 1.761 151 2HD1 ILE 19 2HD1 ILE 19 8.781 3.373 0.304 152 3HD1 ILE 19 3HD1 ILE 19 8.514 4.327 1.773 153 H LYS 20 H LYS 20 6.187 6.226 3.571 154 HA LYS 20 HA LYS 20 7.783 7.845 1.803 155 1HB LYS 20 1HB LYS 20 7.771 9.698 3.633 156 2HB LYS 20 2HB LYS 20 6.500 9.653 2.383 157 1HG LYS 20 1HG LYS 20 4.915 8.744 3.941 158 2HG LYS 20 2HG LYS 20 6.158 8.592 5.196 159 1HD LYS 20 1HD LYS 20 4.728 10.559 5.548 160 2HD LYS 20 2HD LYS 20 6.418 11.017 5.292 161 1HE LYS 20 1HE LYS 20 5.980 11.697 3.012 162 2HE LYS 20 2HE LYS 20 4.322 11.083 3.106 163 1HZ LYS 20 1HZ LYS 20 3.884 12.758 4.807 164 2HZ LYS 20 2HZ LYS 20 5.410 13.353 4.671 165 3HZ LYS 20 3HZ LYS 20 4.388 13.447 3.391 166 HA PRO 21 HA PRO 21 10.502 5.564 4.226 167 1HB PRO 21 1HB PRO 21 12.931 6.743 3.858 168 2HB PRO 21 2HB PRO 21 11.994 6.018 2.517 169 1HG PRO 21 1HG PRO 21 12.127 8.946 3.316 170 2HG PRO 21 2HG PRO 21 12.329 8.240 1.681 171 1HD PRO 21 1HD PRO 21 9.937 9.257 2.579 172 2HD PRO 21 2HD PRO 21 10.024 7.883 1.455 173 H THR 22 H THR 22 9.920 8.884 5.126 174 HA THR 22 HA THR 22 11.569 9.190 7.400 175 HB THR 22 HB THR 22 9.828 11.067 7.738 176 HG1 THR 22 HG1 THR 22 8.092 10.544 6.651 177 1HG2 THR 22 2HG2 THR 22 11.979 11.425 6.516 178 2HG2 THR 22 3HG2 THR 22 11.207 10.900 5.007 179 3HG2 THR 22 1HG2 THR 22 10.654 12.371 5.827 180 H CYS 23 H CSN 23 8.178 8.157 6.949 181 HA CYS 23 HA CSN 23 7.618 8.076 9.747 182 1HB CYS 23 2HB CSN 23 6.192 7.767 7.193 183 2HB CYS 23 3HB CSN 23 5.669 6.581 8.331 184 HA PRO 24 HA PRO 24 9.253 3.854 10.290 185 1HB PRO 24 1HB PRO 24 8.571 3.470 12.909 186 2HB PRO 24 2HB PRO 24 9.938 4.499 12.390 187 1HG PRO 24 1HG PRO 24 7.110 5.365 13.094 188 2HG PRO 24 2HG PRO 24 8.645 6.048 13.697 189 1HD PRO 24 1HD PRO 24 7.279 7.157 11.637 190 2HD PRO 24 2HD PRO 24 9.072 7.124 11.623 191 H TYR 25 H TYR 25 5.973 4.959 10.465 192 HA TYR 25 HA TYR 25 4.692 2.383 10.814 193 1HB TYR 25 1HB TYR 25 3.755 5.010 9.558 194 2HB TYR 25 2HB TYR 25 2.720 3.638 9.926 195 HD1 TYR 25 2HD TYR 25 2.434 2.856 12.339 196 HD2 TYR 25 1HD TYR 25 4.456 6.548 11.306 197 HE1 TYR 25 2HE TYR 25 2.255 3.611 14.678 198 HE2 TYR 25 1HE TYR 25 4.337 7.264 13.661 199 HH TYR 25 HH TYR 25 3.994 6.323 15.951 200 H CYS 26 H CYS 26 6.099 4.187 8.066 201 HA CYS 26 HA CYS 26 4.935 2.412 6.040 202 1HB CYS 26 1HB CYS 26 7.168 4.513 6.030 203 2HB CYS 26 2HB CYS 26 6.728 3.515 4.651 204 HG CYS 26 HG CYS 26 4.916 5.664 6.400 205 H ARG 27 H ARG 27 8.002 2.755 7.861 206 HA ARG 27 HA ARG 27 9.412 0.580 6.820 207 1HB ARG 27 1HB ARG 27 9.957 2.331 8.770 208 2HB ARG 27 2HB ARG 27 9.388 1.033 9.804 209 1HG ARG 27 1HG ARG 27 11.092 -0.486 8.711 210 2HG ARG 27 2HG ARG 27 11.708 0.932 7.834 211 1HD ARG 27 1HD ARG 27 11.440 1.677 10.612 212 2HD ARG 27 2HD ARG 27 12.180 0.087 10.578 213 HE ARG 27 HE ARG 27 14.108 0.990 9.851 214 1HH1 ARG 27 2HH2 ARG 27 11.693 3.380 8.675 215 2HH1 ARG 27 1HH2 ARG 27 12.688 4.724 9.035 216 1HH2 ARG 27 2HH1 ARG 27 15.410 2.845 10.246 217 2HH2 ARG 27 1HH1 ARG 27 14.953 4.411 9.639 218 H ARG 28 H ARG 28 6.976 0.602 9.459 219 HA ARG 28 HA ARG 28 6.859 -2.151 9.935 220 1HB ARG 28 1HB ARG 28 5.567 -0.323 11.186 221 2HB ARG 28 2HB ARG 28 4.400 -0.362 9.897 222 1HG ARG 28 1HG ARG 28 3.324 -1.988 10.962 223 2HG ARG 28 2HG ARG 28 4.591 -3.063 10.437 224 1HD ARG 28 1HD ARG 28 4.502 -1.603 13.097 225 2HD ARG 28 2HD ARG 28 4.135 -3.311 12.822 226 HE ARG 28 HE ARG 28 6.743 -2.974 11.863 227 1HH1 ARG 28 2HH2 ARG 28 5.129 -2.693 15.047 228 2HH1 ARG 28 1HH2 ARG 28 6.633 -2.884 15.917 229 1HH2 ARG 28 2HH1 ARG 28 8.545 -3.351 12.952 230 2HH2 ARG 28 1HH1 ARG 28 8.691 -3.238 14.678 231 H ALA 29 H ALA 29 4.800 -0.307 7.683 232 HA ALA 29 HA ALA 29 3.439 -2.531 6.660 233 1HB ALA 29 1HB ALA 29 4.186 0.011 5.163 234 2HB ALA 29 2HB ALA 29 3.125 -1.253 4.502 235 3HB ALA 29 3HB ALA 29 2.645 -0.419 5.975 236 H GLN 30 H GLN 30 6.677 -1.343 5.427 237 HA GLN 30 HA GLN 30 6.941 -3.255 3.447 238 1HB GLN 30 1HB GLN 30 8.804 -1.579 5.121 239 2HB GLN 30 2HB GLN 30 9.518 -3.024 4.415 240 1HG GLN 30 1HG GLN 30 9.853 -1.742 2.607 241 2HG GLN 30 2HG GLN 30 8.177 -2.199 2.285 242 1HE2 GLN 30 2HE2 GLN 30 9.237 1.677 3.319 243 2HE2 GLN 30 1HE2 GLN 30 10.233 0.328 3.798 244 H GLU 31 H GLU 31 7.717 -3.683 6.913 245 HA GLU 31 HA GLU 31 8.804 -6.344 6.300 246 1HB GLU 31 1HB GLU 31 9.097 -6.567 8.754 247 2HB GLU 31 2HB GLU 31 9.837 -5.110 8.079 248 1HG GLU 31 1HG GLU 31 7.901 -3.787 8.840 249 2HG GLU 31 2HG GLU 31 7.250 -5.207 9.676 250 H ILE 32 H ILE 32 5.882 -5.020 7.752 251 HA ILE 32 HA ILE 32 4.506 -7.348 8.330 252 HB ILE 32 HB ILE 32 3.736 -4.583 7.504 253 1HG1 ILE 32 1HG1 ILE 32 3.105 -6.394 9.894 254 2HG1 ILE 32 2HG1 ILE 32 4.332 -5.144 9.838 255 1HG2 ILE 32 2HG2 ILE 32 2.017 -5.754 6.281 256 2HG2 ILE 32 3HG2 ILE 32 1.591 -6.681 7.748 257 3HG2 ILE 32 1HG2 ILE 32 1.348 -4.916 7.644 258 1HD1 ILE 32 1HD1 ILE 32 2.386 -3.483 9.433 259 2HD1 ILE 32 2HD1 ILE 32 1.301 -4.823 9.865 260 3HD1 ILE 32 3HD1 ILE 32 2.478 -4.245 11.046 261 H LEU 33 H LEU 33 4.570 -5.606 5.190 262 HA LEU 33 HA LEU 33 2.892 -7.728 4.103 263 1HB LEU 33 1HB LEU 33 4.052 -5.228 2.837 264 2HB LEU 33 2HB LEU 33 3.358 -6.521 1.877 265 HG LEU 33 HG LEU 33 1.890 -4.743 3.848 266 1HD1 LEU 33 3HD1 LEU 33 2.363 -4.112 1.420 267 2HD1 LEU 33 1HD1 LEU 33 1.304 -5.442 0.940 268 3HD1 LEU 33 2HD1 LEU 33 0.653 -4.103 1.906 269 1HD2 LEU 33 1HD2 LEU 33 0.896 -7.326 2.549 270 2HD2 LEU 33 2HD2 LEU 33 0.902 -6.923 4.283 271 3HD2 LEU 33 3HD2 LEU 33 -0.173 -6.059 3.186 272 H SER 34 H SER 34 6.433 -6.740 3.783 273 HA SER 34 HA SER 34 6.690 -8.681 1.654 274 1HB SER 34 1HB SER 34 8.151 -6.701 1.951 275 2HB SER 34 2HB SER 34 8.877 -7.487 3.366 276 HG SER 34 HG SER 34 8.785 -8.848 0.879 277 H GLN 35 H GLN 35 6.635 -9.123 5.167 278 HA GLN 35 HA GLN 35 7.918 -11.726 5.087 279 1HB GLN 35 1HB GLN 35 6.074 -10.335 7.072 280 2HB GLN 35 2HB GLN 35 6.719 -11.947 7.352 281 1HG GLN 35 1HG GLN 35 8.593 -9.619 6.792 282 2HG GLN 35 2HG GLN 35 7.947 -9.934 8.400 283 1HE2 GLN 35 2HE2 GLN 35 10.534 -12.212 9.084 284 2HE2 GLN 35 1HE2 GLN 35 9.458 -10.935 9.615 285 H LEU 36 H LEU 36 4.878 -10.666 3.818 286 HA LEU 36 HA LEU 36 3.770 -13.383 3.897 287 1HB LEU 36 1HB LEU 36 2.757 -10.820 2.634 288 2HB LEU 36 2HB LEU 36 1.942 -12.374 2.684 289 HG LEU 36 HG LEU 36 2.541 -10.497 5.010 290 1HD1 LEU 36 2HD1 LEU 36 0.686 -9.806 3.548 291 2HD1 LEU 36 3HD1 LEU 36 -0.103 -11.384 3.790 292 3HD1 LEU 36 1HD1 LEU 36 0.113 -10.266 5.157 293 1HD2 LEU 36 2HD2 LEU 36 1.257 -13.256 5.069 294 2HD2 LEU 36 3HD2 LEU 36 2.731 -12.732 5.902 295 3HD2 LEU 36 1HD2 LEU 36 1.180 -12.074 6.403 296 HA PRO 37 HA PRO 37 6.399 -13.780 0.342 297 1HB PRO 37 1HB PRO 37 5.879 -16.316 -0.472 298 2HB PRO 37 2HB PRO 37 6.566 -15.951 1.130 299 1HG PRO 37 1HG PRO 37 3.644 -16.445 0.455 300 2HG PRO 37 2HG PRO 37 4.625 -17.227 1.736 301 1HD PRO 37 1HD PRO 37 3.025 -15.069 2.255 302 2HD PRO 37 2HD PRO 37 4.585 -15.300 3.083 303 H ILE 38 H ILE 38 4.783 -11.977 -0.514 304 HA ILE 38 HA ILE 38 2.791 -12.658 -2.491 305 HB ILE 38 HB ILE 38 4.444 -10.137 -1.858 306 1HG1 ILE 38 1HG1 ILE 38 1.908 -9.281 -1.655 307 2HG1 ILE 38 2HG1 ILE 38 1.526 -10.996 -1.567 308 1HG2 ILE 38 2HG2 ILE 38 2.429 -10.400 -4.124 309 2HG2 ILE 38 3HG2 ILE 38 3.016 -8.861 -3.482 310 3HG2 ILE 38 1HG2 ILE 38 4.153 -9.951 -4.236 311 1HD1 ILE 38 1HD1 ILE 38 3.677 -9.820 0.215 312 2HD1 ILE 38 2HD1 ILE 38 1.983 -9.594 0.607 313 3HD1 ILE 38 3HD1 ILE 38 2.640 -11.247 0.449 314 H LYS 39 H LYS 39 2.963 -12.874 -4.746 315 HA LYS 39 HA LYS 39 5.164 -13.969 -5.745 316 1HB LYS 39 1HB LYS 39 2.806 -12.797 -7.113 317 2HB LYS 39 2HB LYS 39 4.232 -13.154 -8.088 318 1HG LYS 39 1HG LYS 39 4.006 -15.483 -6.571 319 2HG LYS 39 2HG LYS 39 2.317 -15.027 -6.807 320 1HD LYS 39 1HD LYS 39 4.298 -15.289 -9.049 321 2HD LYS 39 2HD LYS 39 3.221 -16.582 -8.477 322 1HE LYS 39 1HE LYS 39 1.239 -15.380 -9.022 323 2HE LYS 39 2HE LYS 39 2.101 -13.854 -9.233 324 1HZ LYS 39 3HZ LYS 39 2.629 -16.150 -10.988 325 2HZ LYS 39 1HZ LYS 39 1.438 -15.050 -11.304 326 3HZ LYS 39 2HZ LYS 39 3.001 -14.553 -11.214 327 H GLN 40 H GLN 40 7.157 -13.322 -6.441 328 HA GLN 40 HA GLN 40 8.003 -10.699 -5.817 329 1HB GLN 40 1HB GLN 40 9.435 -12.748 -5.792 330 2HB GLN 40 2HB GLN 40 9.378 -12.792 -7.561 331 1HG GLN 40 1HG GLN 40 10.394 -10.433 -7.543 332 2HG GLN 40 2HG GLN 40 10.572 -10.604 -5.796 333 1HE2 GLN 40 2HE2 GLN 40 13.020 -12.775 -8.316 334 2HE2 GLN 40 1HE2 GLN 40 11.575 -11.987 -8.979 335 H GLY 41 H GLY 41 7.480 -8.887 -6.936 336 1HA GLY 41 1HA GLY 41 7.879 -7.669 -9.053 337 2HA GLY 41 2HA GLY 41 7.109 -9.018 -9.897 338 H LEU 42 H LEU 42 5.172 -9.093 -7.258 339 HA LEU 42 HA LEU 42 3.237 -7.254 -8.410 340 1HB LEU 42 1HB LEU 42 3.036 -8.953 -5.956 341 2HB LEU 42 2HB LEU 42 1.770 -8.079 -6.772 342 HG LEU 42 HG LEU 42 3.142 -10.623 -7.613 343 1HD1 LEU 42 1HD1 LEU 42 1.114 -10.597 -6.142 344 2HD1 LEU 42 2HD1 LEU 42 0.233 -9.770 -7.442 345 3HD1 LEU 42 3HD1 LEU 42 0.833 -11.415 -7.701 346 1HD2 LEU 42 2HD2 LEU 42 1.486 -8.849 -9.410 347 2HD2 LEU 42 3HD2 LEU 42 3.165 -9.387 -9.679 348 3HD2 LEU 42 1HD2 LEU 42 1.848 -10.562 -9.727 349 H LEU 43 H LEU 43 5.304 -7.468 -5.492 350 HA LEU 43 HA LEU 43 3.780 -5.391 -4.109 351 1HB LEU 43 1HB LEU 43 4.983 -7.640 -3.169 352 2HB LEU 43 2HB LEU 43 6.284 -6.515 -2.960 353 HG LEU 43 HG LEU 43 5.402 -6.301 -0.914 354 1HD1 LEU 43 2HD1 LEU 43 5.078 -4.062 -1.799 355 2HD1 LEU 43 3HD1 LEU 43 3.394 -4.434 -2.232 356 3HD1 LEU 43 1HD1 LEU 43 3.903 -4.441 -0.540 357 1HD2 LEU 43 3HD2 LEU 43 2.725 -7.090 -2.049 358 2HD2 LEU 43 1HD2 LEU 43 3.819 -7.973 -0.977 359 3HD2 LEU 43 2HD2 LEU 43 2.942 -6.579 -0.360 360 H GLU 44 H GLU 44 4.265 -3.206 -4.453 361 HA GLU 44 HA GLU 44 7.134 -2.488 -4.882 362 1HB GLU 44 1HB GLU 44 5.874 -2.814 -7.037 363 2HB GLU 44 2HB GLU 44 4.842 -1.443 -6.580 364 1HG GLU 44 1HG GLU 44 6.874 -0.033 -6.336 365 2HG GLU 44 2HG GLU 44 7.896 -1.407 -6.785 366 H PHE 45 H PHE 45 7.626 -1.167 -3.206 367 HA PHE 45 HA PHE 45 5.498 0.272 -1.738 368 1HB PHE 45 1HB PHE 45 8.450 -0.103 -1.132 369 2HB PHE 45 2HB PHE 45 7.247 0.602 -0.071 370 HD1 PHE 45 1HD PHE 45 5.428 -0.850 0.906 371 HD2 PHE 45 2HD PHE 45 8.751 -2.502 -1.289 372 HE1 PHE 45 1HE PHE 45 4.913 -3.095 1.818 373 HE2 PHE 45 2HE PHE 45 8.258 -4.740 -0.345 374 HZ PHE 45 HZ PHE 45 6.337 -5.046 1.209 375 H VAL 46 H VAL 46 4.950 2.234 -2.571 376 HA VAL 46 HA VAL 46 6.907 3.599 -4.315 377 HB VAL 46 HB VAL 46 3.904 3.924 -3.905 378 1HG1 VAL 46 3HG1 VAL 46 4.963 6.089 -4.538 379 2HG1 VAL 46 1HG1 VAL 46 5.745 5.302 -5.923 380 3HG1 VAL 46 2HG1 VAL 46 3.973 5.443 -5.833 381 1HG2 VAL 46 2HG2 VAL 46 4.567 1.854 -5.105 382 2HG2 VAL 46 3HG2 VAL 46 3.732 2.996 -6.164 383 3HG2 VAL 46 1HG2 VAL 46 5.503 2.819 -6.259 384 H ASP 47 H ASP 47 8.186 4.988 -3.278 385 HA ASP 47 HA ASP 47 7.379 6.590 -1.017 386 1HB ASP 47 1HB ASP 47 9.770 6.164 -1.622 387 2HB ASP 47 2HB ASP 47 9.569 7.229 -3.026 388 H ILE 48 H ILE 48 6.189 8.326 -1.000 389 HA ILE 48 HA ILE 48 5.410 9.695 -3.531 390 HB ILE 48 HB ILE 48 3.703 10.802 -2.231 391 1HG1 ILE 48 1HG1 ILE 48 4.222 8.987 0.133 392 2HG1 ILE 48 2HG1 ILE 48 4.844 10.618 0.067 393 1HG2 ILE 48 1HG2 ILE 48 3.250 8.661 -3.403 394 2HG2 ILE 48 2HG2 ILE 48 3.741 7.734 -1.973 395 3HG2 ILE 48 3HG2 ILE 48 2.285 8.718 -1.921 396 1HD1 ILE 48 3HD1 ILE 48 2.350 11.308 -0.391 397 2HD1 ILE 48 1HD1 ILE 48 1.951 9.679 0.156 398 3HD1 ILE 48 2HD1 ILE 48 2.800 10.793 1.232 399 H THR 49 H THR 49 7.898 10.016 -1.246 400 HA THR 49 HA THR 49 7.870 12.961 -1.385 401 HB THR 49 HB THR 49 9.472 13.013 0.250 402 HG1 THR 49 HG1 THR 49 10.067 10.274 -0.238 403 1HG2 THR 49 2HG2 THR 49 7.281 12.229 1.112 404 2HG2 THR 49 3HG2 THR 49 7.883 10.563 1.006 405 3HG2 THR 49 1HG2 THR 49 8.663 11.708 2.104 406 H ALA 50 H ALA 50 9.908 10.261 -2.567 407 HA ALA 50 HA ALA 50 12.004 11.588 -3.689 408 1HB ALA 50 3HB ALA 50 11.753 9.119 -3.541 409 2HB ALA 50 1HB ALA 50 10.545 9.162 -4.840 410 3HB ALA 50 2HB ALA 50 12.225 9.624 -5.170 411 H THR 51 H THR 51 8.753 11.404 -5.041 412 HA THR 51 HA THR 51 9.395 13.311 -7.142 413 HB THR 51 HB THR 51 7.878 11.755 -8.672 414 HG1 THR 51 HG1 THR 51 7.750 10.134 -6.961 415 1HG2 THR 51 3HG2 THR 51 10.224 12.482 -9.146 416 2HG2 THR 51 1HG2 THR 51 10.795 10.999 -8.337 417 3HG2 THR 51 2HG2 THR 51 9.782 10.904 -9.802 418 H ASN 52 H ASN 52 7.429 14.227 -7.969 419 HA ASN 52 HA ASN 52 5.421 15.165 -7.768 420 1HB ASN 52 1HB ASN 52 4.899 12.694 -8.276 421 2HB ASN 52 2HB ASN 52 4.379 12.596 -6.611 422 1HD2 ASN 52 2HD2 ASN 52 2.125 14.435 -9.537 423 2HD2 ASN 52 1HD2 ASN 52 3.677 13.704 -9.827 424 H HIS 53 H HIS 53 3.361 14.744 -5.649 425 HA HIS 53 HA HIS 53 4.633 16.709 -3.795 426 1HB HIS 53 1HB HIS 53 1.943 16.532 -5.263 427 2HB HIS 53 2HB HIS 53 2.312 17.687 -3.980 428 HD1 HIS 53 1HD HIS 53 4.147 19.655 -4.597 429 HD2 HIS 53 2HD HIS 53 2.709 17.147 -7.643 430 HE1 HIS 53 1HE HIS 53 4.792 20.771 -6.788 431 H THR 54 H THR 54 4.966 14.667 -2.556 432 HA THR 54 HA THR 54 3.374 12.841 -1.600 433 HB THR 54 HB THR 54 5.244 12.624 -0.370 434 HG1 THR 54 HG1 THR 54 3.571 12.592 1.212 435 1HG2 THR 54 3HG2 THR 54 5.202 15.560 0.223 436 2HG2 THR 54 1HG2 THR 54 6.402 14.389 0.824 437 3HG2 THR 54 2HG2 THR 54 6.263 14.684 -0.918 438 H ASN 55 H ASN 55 3.368 15.862 0.193 439 HA ASN 55 HA ASN 55 1.205 15.443 1.826 440 1HB ASN 55 1HB ASN 55 2.799 17.490 1.664 441 2HB ASN 55 2HB ASN 55 1.551 18.204 0.650 442 1HD2 ASN 55 2HD2 ASN 55 -0.689 17.695 3.814 443 2HD2 ASN 55 1HD2 ASN 55 -0.790 16.965 2.256 444 H GLU 56 H GLU 56 0.978 16.727 -1.572 445 HA GLU 56 HA GLU 56 -1.867 16.851 -1.562 446 1HB GLU 56 1HB GLU 56 0.367 17.974 -2.838 447 2HB GLU 56 2HB GLU 56 -0.274 16.925 -4.090 448 1HG GLU 56 1HG GLU 56 -2.099 18.766 -2.511 449 2HG GLU 56 2HG GLU 56 -0.995 19.414 -3.720 450 H ILE 57 H ILE 57 0.336 14.265 -2.063 451 HA ILE 57 HA ILE 57 -1.461 12.678 -3.797 452 HB ILE 57 HB ILE 57 1.285 12.291 -2.571 453 1HG1 ILE 57 1HG1 ILE 57 0.252 11.636 -5.347 454 2HG1 ILE 57 2HG1 ILE 57 0.762 13.270 -4.898 455 1HG2 ILE 57 2HG2 ILE 57 -0.631 10.093 -3.362 456 2HG2 ILE 57 3HG2 ILE 57 1.101 9.851 -3.520 457 3HG2 ILE 57 1HG2 ILE 57 0.406 10.192 -1.935 458 1HD1 ILE 57 2HD1 ILE 57 2.626 10.878 -4.566 459 2HD1 ILE 57 3HD1 ILE 57 2.498 11.858 -6.014 460 3HD1 ILE 57 1HD1 ILE 57 3.007 12.605 -4.475 461 H GLN 58 H GLN 58 -0.277 12.800 -0.412 462 HA GLN 58 HA GLN 58 -1.831 10.515 0.367 463 1HB GLN 58 1HB GLN 58 -1.079 11.060 2.591 464 2HB GLN 58 2HB GLN 58 0.154 11.036 1.349 465 1HG GLN 58 1HG GLN 58 1.073 12.840 2.028 466 2HG GLN 58 2HG GLN 58 -0.319 13.696 1.541 467 1HE2 GLN 58 2HE2 GLN 58 -0.874 12.865 5.511 468 2HE2 GLN 58 1HE2 GLN 58 -1.258 11.708 4.267 469 H ASP 59 H ASP 59 -2.232 13.932 0.791 470 HA ASP 59 HA ASP 59 -4.913 13.934 1.821 471 1HB ASP 59 1HB ASP 59 -3.380 15.890 0.095 472 2HB ASP 59 2HB ASP 59 -5.075 16.084 0.361 473 H TYR 60 H TYR 60 -3.807 13.510 -1.599 474 HA TYR 60 HA TYR 60 -6.503 13.215 -2.619 475 1HB TYR 60 1HB TYR 60 -4.804 13.806 -4.144 476 2HB TYR 60 2HB TYR 60 -3.796 12.448 -3.724 477 HD1 TYR 60 1HD TYR 60 -7.371 12.990 -4.879 478 HD2 TYR 60 2HD TYR 60 -3.743 10.669 -5.176 479 HE1 TYR 60 1HE TYR 60 -8.445 11.534 -6.567 480 HE2 TYR 60 2HE TYR 60 -4.817 9.210 -6.857 481 HH TYR 60 HH TYR 60 -6.653 8.796 -8.070 482 H LEU 61 H LEU 61 -4.213 10.893 -1.129 483 HA LEU 61 HA LEU 61 -5.912 8.614 -1.611 484 1HB LEU 61 1HB LEU 61 -3.908 9.081 0.632 485 2HB LEU 61 2HB LEU 61 -4.761 7.586 0.378 486 HG LEU 61 HG LEU 61 -2.950 8.833 -1.736 487 1HD1 LEU 61 2HD1 LEU 61 -2.306 6.677 0.309 488 2HD1 LEU 61 3HD1 LEU 61 -1.260 7.196 -1.035 489 3HD1 LEU 61 1HD1 LEU 61 -1.631 8.309 0.287 490 1HD2 LEU 61 3HD2 LEU 61 -4.181 6.075 -1.381 491 2HD2 LEU 61 1HD2 LEU 61 -4.553 7.254 -2.654 492 3HD2 LEU 61 2HD2 LEU 61 -2.958 6.489 -2.606 493 H GLN 62 H GLN 62 -6.051 11.242 0.825 494 HA GLN 62 HA GLN 62 -8.081 10.039 2.413 495 1HB GLN 62 1HB GLN 62 -6.867 12.349 2.725 496 2HB GLN 62 2HB GLN 62 -8.166 12.969 1.707 497 1HG GLN 62 1HG GLN 62 -9.779 11.710 3.372 498 2HG GLN 62 2HG GLN 62 -8.383 11.691 4.432 499 1HE2 GLN 62 2HE2 GLN 62 -10.258 15.248 3.580 500 2HE2 GLN 62 1HE2 GLN 62 -10.610 13.798 2.616 501 H GLN 63 H GLN 63 -8.227 11.710 -0.728 502 HA GLN 63 HA GLN 63 -11.102 11.726 -0.818 503 1HB GLN 63 1HB GLN 63 -8.838 12.810 -2.295 504 2HB GLN 63 2HB GLN 63 -9.868 11.999 -3.427 505 1HG GLN 63 1HG GLN 63 -10.709 14.163 -1.440 506 2HG GLN 63 2HG GLN 63 -10.359 14.421 -3.142 507 1HE2 GLN 63 2HE2 GLN 63 -13.845 14.175 -3.737 508 2HE2 GLN 63 1HE2 GLN 63 -12.350 15.053 -4.015 509 H LEU 64 H LEU 64 -8.579 9.825 -2.550 510 HA LEU 64 HA LEU 64 -10.503 8.155 -3.894 511 1HB LEU 64 1HB LEU 64 -8.529 8.603 -5.061 512 2HB LEU 64 2HB LEU 64 -7.523 8.333 -3.648 513 HG LEU 64 HG LEU 64 -7.954 5.846 -3.832 514 1HD1 LEU 64 1HD1 LEU 64 -10.018 5.969 -5.274 515 2HD1 LEU 64 2HD1 LEU 64 -9.036 6.650 -6.574 516 3HD1 LEU 64 3HD1 LEU 64 -8.736 4.999 -6.006 517 1HD2 LEU 64 3HD2 LEU 64 -5.897 6.937 -4.610 518 2HD2 LEU 64 1HD2 LEU 64 -6.337 5.556 -5.632 519 3HD2 LEU 64 2HD2 LEU 64 -6.636 7.212 -6.199 520 H THR 65 H THR 65 -8.853 7.748 -0.784 521 HA THR 65 HA THR 65 -9.860 4.932 -0.666 522 HB THR 65 HB THR 65 -7.964 4.254 0.520 523 HG1 THR 65 HG1 THR 65 -7.224 6.975 0.630 524 1HG2 THR 65 3HG2 THR 65 -7.612 4.398 -1.914 525 2HG2 THR 65 1HG2 THR 65 -6.914 6.029 -1.713 526 3HG2 THR 65 2HG2 THR 65 -6.118 4.626 -0.991 527 H GLY 66 H GLY 66 -9.383 7.953 1.218 528 1HA GLY 66 1HA GLY 66 -11.514 8.485 2.324 529 2HA GLY 66 2HA GLY 66 -11.417 6.939 3.140 530 H ALA 67 H ALA 67 -8.251 7.587 3.349 531 HA ALA 67 HA ALA 67 -8.407 9.756 5.354 532 1HB ALA 67 1HB ALA 67 -8.732 7.678 6.616 533 2HB ALA 67 2HB ALA 67 -7.219 7.027 5.949 534 3HB ALA 67 3HB ALA 67 -7.184 8.464 7.001 535 H ARG 68 H ARG 68 -6.406 10.823 5.639 536 HA ARG 68 HA ARG 68 -4.698 10.558 3.288 537 1HB ARG 68 1HB ARG 68 -3.786 12.615 3.771 538 2HB ARG 68 2HB ARG 68 -5.416 12.784 4.405 539 1HG ARG 68 1HG ARG 68 -4.525 12.388 6.718 540 2HG ARG 68 2HG ARG 68 -2.925 12.171 6.061 541 1HD ARG 68 1HD ARG 68 -2.551 14.335 6.318 542 2HD ARG 68 2HD ARG 68 -3.637 14.642 4.973 543 HE ARG 68 HE ARG 68 -4.166 14.817 7.872 544 1HH1 ARG 68 2HH2 ARG 68 -5.465 15.443 4.606 545 2HH1 ARG 68 1HH2 ARG 68 -7.115 15.466 5.150 546 1HH2 ARG 68 2HH1 ARG 68 -6.234 15.371 8.598 547 2HH2 ARG 68 1HH1 ARG 68 -7.522 15.768 7.478 548 H THR 69 H THR 69 -4.545 9.040 6.335 549 HA THR 69 HA THR 69 -1.856 9.189 7.008 550 HB THR 69 HB THR 69 -2.544 6.697 7.862 551 HG1 THR 69 HG1 THR 69 -4.563 6.811 6.632 552 1HG2 THR 69 1HG2 THR 69 -3.684 9.314 8.949 553 2HG2 THR 69 2HG2 THR 69 -3.580 7.781 9.845 554 3HG2 THR 69 3HG2 THR 69 -2.101 8.606 9.342 555 H VAL 70 H VAL 70 -0.032 8.068 6.543 556 HA VAL 70 HA VAL 70 -0.083 6.026 4.433 557 HB VAL 70 HB VAL 70 2.462 6.643 4.389 558 1HG1 VAL 70 1HG1 VAL 70 0.349 8.430 3.129 559 2HG1 VAL 70 2HG1 VAL 70 2.050 8.264 2.593 560 3HG1 VAL 70 3HG1 VAL 70 0.953 6.882 2.505 561 1HG2 VAL 70 1HG2 VAL 70 2.409 8.214 6.331 562 2HG2 VAL 70 2HG2 VAL 70 2.975 8.990 4.858 563 3HG2 VAL 70 3HG2 VAL 70 1.337 9.301 5.433 564 HA PRO 71 HA PRO 71 1.791 4.270 4.007 565 1HB PRO 71 1HB PRO 71 1.408 1.571 4.421 566 2HB PRO 71 2HB PRO 71 2.932 2.406 4.851 567 1HG PRO 71 1HG PRO 71 0.566 1.781 6.659 568 2HG PRO 71 2HG PRO 71 2.296 1.437 6.966 569 1HD PRO 71 1HD PRO 71 1.145 3.629 7.992 570 2HD PRO 71 2HD PRO 71 2.800 3.712 7.319 571 H ARG 72 H ARG 72 0.332 3.150 2.420 572 HA ARG 72 HA ARG 72 -2.458 2.740 3.322 573 1HB ARG 72 1HB ARG 72 -2.187 5.157 2.512 574 2HB ARG 72 2HB ARG 72 -1.727 4.499 0.937 575 1HG ARG 72 1HG ARG 72 -4.034 4.908 0.700 576 2HG ARG 72 2HG ARG 72 -3.960 3.176 1.050 577 1HD ARG 72 1HD ARG 72 -4.196 4.047 3.579 578 2HD ARG 72 2HD ARG 72 -4.841 5.482 2.749 579 HE ARG 72 HE ARG 72 -6.211 3.335 1.672 580 1HH1 ARG 72 2HH2 ARG 72 -5.886 4.910 4.861 581 2HH1 ARG 72 1HH2 ARG 72 -7.432 4.330 5.424 582 1HH2 ARG 72 2HH1 ARG 72 -8.428 2.849 2.393 583 2HH2 ARG 72 1HH1 ARG 72 -8.918 3.468 3.921 584 H VAL 73 H VAL 73 -2.839 0.658 2.715 585 HA VAL 73 HA VAL 73 -1.177 -0.477 0.567 586 HB VAL 73 HB VAL 73 -3.088 -1.742 2.573 587 1HG1 VAL 73 1HG1 VAL 73 -1.254 -3.068 0.508 588 2HG1 VAL 73 2HG1 VAL 73 -2.071 -3.920 1.838 589 3HG1 VAL 73 3HG1 VAL 73 -3.017 -3.161 0.571 590 1HG2 VAL 73 2HG2 VAL 73 -0.078 -1.404 2.517 591 2HG2 VAL 73 3HG2 VAL 73 -1.233 -0.959 3.771 592 3HG2 VAL 73 1HG2 VAL 73 -0.842 -2.664 3.450 593 H PHE 74 H PHE 74 -1.855 -0.779 -1.455 594 HA PHE 74 HA PHE 74 -4.721 -1.223 -1.955 595 1HB PHE 74 1HB PHE 74 -2.511 -0.389 -3.872 596 2HB PHE 74 2HB PHE 74 -4.097 -0.932 -4.350 597 HD1 PHE 74 1HD PHE 74 -2.447 1.707 -2.219 598 HD2 PHE 74 2HD PHE 74 -5.829 0.637 -4.684 599 HE1 PHE 74 1HE PHE 74 -3.272 4.035 -2.115 600 HE2 PHE 74 2HE PHE 74 -6.605 2.991 -4.618 601 HZ PHE 74 HZ PHE 74 -5.318 4.694 -3.367 602 H ILE 75 H ILE 75 -5.240 -3.243 -2.576 603 HA ILE 75 HA ILE 75 -3.130 -5.103 -3.444 604 HB ILE 75 HB ILE 75 -4.894 -5.520 -1.097 605 1HG1 ILE 75 1HG1 ILE 75 -3.256 -7.536 -0.872 606 2HG1 ILE 75 2HG1 ILE 75 -2.357 -6.756 -2.184 607 1HG2 ILE 75 2HG2 ILE 75 -4.680 -7.687 -3.254 608 2HG2 ILE 75 3HG2 ILE 75 -5.227 -7.976 -1.602 609 3HG2 ILE 75 1HG2 ILE 75 -6.181 -6.949 -2.655 610 1HD1 ILE 75 3HD1 ILE 75 -2.031 -4.851 -0.681 611 2HD1 ILE 75 1HD1 ILE 75 -2.874 -5.772 0.609 612 3HD1 ILE 75 2HD1 ILE 75 -1.355 -6.372 -0.073 613 H GLY 76 H GLY 76 -3.516 -5.193 -5.537 614 1HA GLY 76 1HA GLY 76 -4.534 -5.389 -7.536 615 2HA GLY 76 2HA GLY 76 -5.735 -6.356 -6.689 616 H LYS 77 H LYS 77 -4.874 -2.990 -7.286 617 HA LYS 77 HA LYS 77 -5.832 -1.080 -7.523 618 1HB LYS 77 1HB LYS 77 -6.954 -2.760 -9.499 619 2HB LYS 77 2HB LYS 77 -8.302 -1.841 -8.840 620 1HG LYS 77 1HG LYS 77 -6.818 0.239 -9.094 621 2HG LYS 77 2HG LYS 77 -5.728 -0.770 -10.057 622 1HD LYS 77 1HD LYS 77 -7.532 -1.306 -11.629 623 2HD LYS 77 2HD LYS 77 -8.701 -0.392 -10.654 624 1HE LYS 77 1HE LYS 77 -7.450 1.696 -11.086 625 2HE LYS 77 2HE LYS 77 -6.245 0.788 -12.022 626 1HZ LYS 77 2HZ LYS 77 -7.981 0.157 -13.548 627 2HZ LYS 77 3HZ LYS 77 -9.104 1.070 -12.712 628 3HZ LYS 77 1HZ LYS 77 -7.839 1.778 -13.489 629 H ASP 78 H ASP 78 -7.532 -3.198 -5.546 630 HA ASP 78 HA ASP 78 -9.323 -1.002 -4.617 631 1HB ASP 78 1HB ASP 78 -10.008 -3.511 -4.756 632 2HB ASP 78 2HB ASP 78 -9.053 -3.694 -3.280 633 H CYS 79 H CYS 79 -9.248 -0.603 -2.168 634 HA CYS 79 HA CYS 79 -6.456 -0.547 -1.162 635 1HB CYS 79 1HB CYS 79 -7.199 1.654 -2.197 636 2HB CYS 79 2HB CYS 79 -8.420 1.760 -0.917 637 HG CYS 79 HG CYS 79 -5.200 1.132 -0.468 638 H ILE 80 H ILE 80 -6.268 -1.310 0.949 639 HA ILE 80 HA ILE 80 -8.810 -2.242 2.047 640 HB ILE 80 HB ILE 80 -7.615 -4.071 2.798 641 1HG1 ILE 80 1HG1 ILE 80 -5.179 -4.452 2.273 642 2HG1 ILE 80 2HG1 ILE 80 -5.020 -2.720 1.991 643 1HG2 ILE 80 1HG2 ILE 80 -8.193 -3.903 0.347 644 2HG2 ILE 80 2HG2 ILE 80 -6.492 -3.522 0.023 645 3HG2 ILE 80 3HG2 ILE 80 -6.928 -5.076 0.749 646 1HD1 ILE 80 3HD1 ILE 80 -6.125 -3.785 4.617 647 2HD1 ILE 80 1HD1 ILE 80 -4.380 -3.739 4.308 648 3HD1 ILE 80 2HD1 ILE 80 -5.301 -2.240 4.305 649 H GLY 81 H GLY 81 -6.345 0.047 2.839 650 1HA GLY 81 1HA GLY 81 -7.401 1.219 5.036 651 2HA GLY 81 2HA GLY 81 -6.705 -0.261 5.711 652 H GLY 82 H GLY 82 -5.660 1.853 6.714 653 1HA GLY 82 1HA GLY 82 -3.287 2.759 5.270 654 2HA GLY 82 2HA GLY 82 -3.889 3.350 6.820 655 H CYS 83 H CYS 83 -3.478 2.096 8.744 656 HA CYS 83 HA CYS 83 -1.115 0.311 8.492 657 1HB CYS 83 1HB CYS 83 -0.797 2.897 9.111 658 2HB CYS 83 2HB CYS 83 -1.227 2.325 10.735 659 HG CYS 83 HG CYS 83 1.339 2.460 10.567 660 H SER 84 H SER 84 -3.470 1.540 10.995 661 HA SER 84 HA SER 84 -3.060 -0.787 12.652 662 1HB SER 84 1HB SER 84 -3.859 1.546 13.310 663 2HB SER 84 2HB SER 84 -5.432 1.097 12.638 664 HG SER 84 HG SER 84 -5.451 -0.657 14.153 665 H ASP 85 H ASP 85 -5.392 0.142 10.103 666 HA ASP 85 HA ASP 85 -7.133 -2.138 10.315 667 1HB ASP 85 1HB ASP 85 -6.442 -0.194 8.084 668 2HB ASP 85 2HB ASP 85 -7.458 -1.599 7.775 669 H LEU 86 H LEU 86 -4.322 -1.465 8.207 670 HA LEU 86 HA LEU 86 -4.029 -3.927 6.919 671 1HB LEU 86 1HB LEU 86 -2.737 -1.960 6.276 672 2HB LEU 86 2HB LEU 86 -1.981 -1.882 7.850 673 HG LEU 86 HG LEU 86 -0.824 -4.057 7.444 674 1HD1 LEU 86 2HD1 LEU 86 -2.146 -3.807 4.718 675 2HD1 LEU 86 3HD1 LEU 86 -0.720 -4.827 5.048 676 3HD1 LEU 86 1HD1 LEU 86 -2.245 -5.149 5.867 677 1HD2 LEU 86 1HD2 LEU 86 -0.352 -1.697 5.623 678 2HD2 LEU 86 2HD2 LEU 86 0.414 -2.094 7.152 679 3HD2 LEU 86 3HD2 LEU 86 0.763 -3.088 5.729 680 H VAL 87 H VAL 87 -2.704 -2.949 10.170 681 HA VAL 87 HA VAL 87 -1.222 -5.241 10.654 682 HB VAL 87 HB VAL 87 -2.511 -3.038 12.257 683 1HG1 VAL 87 2HG1 VAL 87 -1.097 -5.425 13.465 684 2HG1 VAL 87 3HG1 VAL 87 -1.417 -3.864 14.281 685 3HG1 VAL 87 1HG1 VAL 87 -2.768 -4.889 13.772 686 1HG2 VAL 87 1HG2 VAL 87 -0.324 -2.758 10.972 687 2HG2 VAL 87 2HG2 VAL 87 -0.239 -2.401 12.704 688 3HG2 VAL 87 3HG2 VAL 87 0.383 -3.943 12.087 689 H SER 88 H SER 88 -4.792 -4.643 11.306 690 HA SER 88 HA SER 88 -5.079 -7.134 12.762 691 1HB SER 88 1HB SER 88 -7.002 -5.254 11.394 692 2HB SER 88 2HB SER 88 -7.441 -6.953 11.339 693 HG SER 88 HG SER 88 -8.283 -6.327 13.227 694 H LEU 89 H LEU 89 -5.581 -6.150 9.328 695 HA LEU 89 HA LEU 89 -6.408 -8.697 8.484 696 1HB LEU 89 1HB LEU 89 -5.146 -6.381 6.973 697 2HB LEU 89 2HB LEU 89 -5.567 -7.906 6.207 698 HG LEU 89 HG LEU 89 -7.959 -7.511 7.213 699 1HD1 LEU 89 3HD1 LEU 89 -6.923 -4.667 7.058 700 2HD1 LEU 89 1HD1 LEU 89 -8.633 -5.139 7.134 701 3HD1 LEU 89 2HD1 LEU 89 -7.575 -5.516 8.486 702 1HD2 LEU 89 2HD2 LEU 89 -6.877 -6.001 4.794 703 2HD2 LEU 89 3HD2 LEU 89 -7.417 -7.695 4.816 704 3HD2 LEU 89 1HD2 LEU 89 -8.582 -6.401 5.090 705 H GLN 90 H GLN 90 -3.054 -7.459 8.984 706 HA GLN 90 HA GLN 90 -1.900 -9.856 7.799 707 1HB GLN 90 1HB GLN 90 -0.611 -7.722 8.076 708 2HB GLN 90 2HB GLN 90 -0.675 -7.956 9.826 709 1HG GLN 90 1HG GLN 90 0.342 -10.399 9.102 710 2HG GLN 90 2HG GLN 90 0.876 -9.464 7.724 711 1HE2 GLN 90 2HE2 GLN 90 3.790 -8.793 9.659 712 2HE2 GLN 90 1HE2 GLN 90 3.120 -9.333 8.137 713 H GLN 91 H GLN 91 -2.567 -8.835 11.261 714 HA GLN 91 HA GLN 91 -1.344 -11.094 12.374 715 1HB GLN 91 1HB GLN 91 -2.535 -8.595 13.149 716 2HB GLN 91 2HB GLN 91 -3.387 -9.799 14.055 717 1HG GLN 91 1HG GLN 91 -0.352 -9.837 13.957 718 2HG GLN 91 2HG GLN 91 -1.203 -8.625 14.882 719 1HE2 GLN 91 2HE2 GLN 91 -1.216 -12.493 16.294 720 2HE2 GLN 91 1HE2 GLN 91 -0.726 -12.233 14.637 721 H SER 92 H SER 92 -4.802 -10.320 11.864 722 HA SER 92 HA SER 92 -5.973 -12.825 12.628 723 1HB SER 92 1HB SER 92 -7.082 -10.523 12.237 724 2HB SER 92 2HB SER 92 -6.871 -10.809 10.509 725 HG SER 92 HG SER 92 -8.861 -11.546 10.882 726 H GLY 93 H GLY 93 -4.396 -11.549 9.724 727 1HA GLY 93 1HA GLY 93 -3.497 -12.700 7.965 728 2HA GLY 93 2HA GLY 93 -4.275 -14.194 8.501 729 H GLU 94 H GLU 94 -6.356 -11.230 8.171 730 HA GLU 94 HA GLU 94 -7.932 -12.481 6.118 731 1HB GLU 94 1HB GLU 94 -8.516 -10.583 7.755 732 2HB GLU 94 2HB GLU 94 -7.482 -9.567 6.775 733 1HG GLU 94 1HG GLU 94 -9.426 -9.004 5.790 734 2HG GLU 94 2HG GLU 94 -9.082 -10.404 4.782 735 H LEU 95 H LEU 95 -5.201 -10.250 6.173 736 HA LEU 95 HA LEU 95 -5.183 -9.295 3.553 737 1HB LEU 95 1HB LEU 95 -3.665 -8.841 5.762 738 2HB LEU 95 2HB LEU 95 -2.562 -9.880 4.927 739 HG LEU 95 HG LEU 95 -2.011 -7.623 4.601 740 1HD1 LEU 95 2HD1 LEU 95 -1.741 -9.110 2.676 741 2HD1 LEU 95 3HD1 LEU 95 -3.252 -8.461 1.979 742 3HD1 LEU 95 1HD1 LEU 95 -1.849 -7.404 2.225 743 1HD2 LEU 95 2HD2 LEU 95 -4.793 -7.092 3.458 744 2HD2 LEU 95 3HD2 LEU 95 -4.111 -6.453 4.971 745 3HD2 LEU 95 1HD2 LEU 95 -3.430 -5.954 3.429 746 H LEU 96 H LEU 96 -3.923 -12.321 4.835 747 HA LEU 96 HA LEU 96 -2.421 -13.160 2.551 748 1HB LEU 96 1HB LEU 96 -3.706 -14.760 4.779 749 2HB LEU 96 2HB LEU 96 -2.869 -15.489 3.417 750 HG LEU 96 HG LEU 96 -0.944 -13.727 4.056 751 1HD1 LEU 96 2HD1 LEU 96 -2.344 -14.248 6.711 752 2HD1 LEU 96 3HD1 LEU 96 -0.733 -13.553 6.533 753 3HD1 LEU 96 1HD1 LEU 96 -2.133 -12.655 5.938 754 1HD2 LEU 96 1HD2 LEU 96 -0.711 -16.142 3.900 755 2HD2 LEU 96 2HD2 LEU 96 0.130 -15.512 5.321 756 3HD2 LEU 96 3HD2 LEU 96 -1.443 -16.339 5.507 757 H THR 97 H THR 97 -5.912 -13.914 3.402 758 HA THR 97 HA THR 97 -6.267 -15.328 0.883 759 HB THR 97 HB THR 97 -8.164 -14.182 2.971 760 HG1 THR 97 HG1 THR 97 -6.912 -16.099 3.476 761 1HG2 THR 97 2HG2 THR 97 -8.822 -15.859 0.509 762 2HG2 THR 97 3HG2 THR 97 -9.938 -15.533 1.859 763 3HG2 THR 97 1HG2 THR 97 -9.380 -14.202 0.838 764 H ARG 98 H ARG 98 -6.820 -11.991 2.062 765 HA ARG 98 HA ARG 98 -8.086 -10.955 -0.209 766 1HB ARG 98 1HB ARG 98 -7.339 -10.003 2.226 767 2HB ARG 98 2HB ARG 98 -6.093 -9.224 1.263 768 1HG ARG 98 1HG ARG 98 -9.101 -9.049 0.742 769 2HG ARG 98 2HG ARG 98 -8.180 -7.908 1.740 770 1HD ARG 98 1HD ARG 98 -6.910 -7.106 -0.069 771 2HD ARG 98 2HD ARG 98 -7.358 -8.461 -1.096 772 HE ARG 98 HE ARG 98 -8.752 -7.040 -1.993 773 1HH1 ARG 98 2HH2 ARG 98 -9.634 -6.668 1.521 774 2HH1 ARG 98 1HH2 ARG 98 -10.667 -5.355 1.144 775 1HH2 ARG 98 2HH1 ARG 98 -10.149 -5.547 -2.357 776 2HH2 ARG 98 1HH1 ARG 98 -11.049 -4.716 -1.127 777 H LEU 99 H LEU 99 -4.531 -11.211 0.418 778 HA LEU 99 HA LEU 99 -3.689 -10.321 -2.155 779 1HB LEU 99 1HB LEU 99 -2.577 -12.020 0.116 780 2HB LEU 99 2HB LEU 99 -1.674 -11.941 -1.366 781 HG LEU 99 HG LEU 99 -2.496 -9.454 0.130 782 1HD1 LEU 99 1HD1 LEU 99 -1.083 -10.934 1.531 783 2HD1 LEU 99 2HD1 LEU 99 0.096 -11.042 0.225 784 3HD1 LEU 99 3HD1 LEU 99 -0.198 -9.481 1.028 785 1HD2 LEU 99 2HD2 LEU 99 -0.433 -9.992 -2.051 786 2HD2 LEU 99 3HD2 LEU 99 -1.919 -9.073 -2.242 787 3HD2 LEU 99 1HD2 LEU 99 -0.635 -8.454 -1.189 788 H LYS 100 H LYS 100 -4.476 -13.663 -0.993 789 HA LYS 100 HA LYS 100 -3.584 -14.787 -3.501 790 1HB LYS 100 1HB LYS 100 -5.253 -15.783 -1.181 791 2HB LYS 100 2HB LYS 100 -5.276 -16.653 -2.714 792 1HG LYS 100 1HG LYS 100 -2.686 -16.500 -2.681 793 2HG LYS 100 2HG LYS 100 -2.822 -15.933 -1.029 794 1HD LYS 100 1HD LYS 100 -3.830 -18.068 -0.324 795 2HD LYS 100 2HD LYS 100 -4.035 -18.575 -2.024 796 1HE LYS 100 1HE LYS 100 -1.558 -18.414 -2.333 797 2HE LYS 100 2HE LYS 100 -1.401 -18.073 -0.596 798 1HZ LYS 100 2HZ LYS 100 -2.740 -20.524 -1.358 799 2HZ LYS 100 3HZ LYS 100 -1.110 -20.404 -1.567 800 3HZ LYS 100 1HZ LYS 100 -1.743 -20.153 -0.060 801 H GLN 101 H GLN 101 -6.650 -13.353 -2.582 802 HA GLN 101 HA GLN 101 -8.124 -13.949 -4.866 803 1HB GLN 101 1HB GLN 101 -8.568 -12.406 -2.689 804 2HB GLN 101 2HB GLN 101 -8.160 -11.128 -3.821 805 1HG GLN 101 1HG GLN 101 -10.542 -11.393 -3.819 806 2HG GLN 101 2HG GLN 101 -9.958 -11.991 -5.370 807 1HE2 GLN 101 2HE2 GLN 101 -12.024 -14.833 -4.687 808 2HE2 GLN 101 1HE2 GLN 101 -11.885 -13.387 -5.674 809 H ILE 102 H ILE 102 -5.131 -12.059 -4.801 810 HA ILE 102 HA ILE 102 -5.629 -11.283 -7.632 811 HB ILE 102 HB ILE 102 -4.347 -9.399 -7.369 812 1HG1 ILE 102 1HG1 ILE 102 -3.578 -9.438 -4.514 813 2HG1 ILE 102 2HG1 ILE 102 -2.901 -10.747 -5.407 814 1HG2 ILE 102 3HG2 ILE 102 -6.545 -9.175 -6.343 815 2HG2 ILE 102 1HG2 ILE 102 -5.861 -9.611 -4.748 816 3HG2 ILE 102 2HG2 ILE 102 -5.328 -8.132 -5.551 817 1HD1 ILE 102 1HD1 ILE 102 -2.005 -9.182 -7.112 818 2HD1 ILE 102 2HD1 ILE 102 -2.619 -7.823 -6.134 819 3HD1 ILE 102 3HD1 ILE 102 -1.359 -8.911 -5.491 820 H GLY 103 H GLY 103 -4.406 -13.884 -6.295 821 1HA GLY 103 1HA GLY 103 -2.943 -15.450 -7.097 822 2HA GLY 103 2HA GLY 103 -2.623 -14.389 -8.475 823 H ALA 104 H ALA 104 -2.037 -13.706 -5.023 824 HA ALA 104 HA ALA 104 0.727 -12.773 -5.642 825 1HB ALA 104 3HB ALA 104 -1.133 -12.731 -3.208 826 2HB ALA 104 1HB ALA 104 0.435 -11.916 -3.273 827 3HB ALA 104 2HB ALA 104 -0.911 -11.367 -4.318 828 H LEU 105 H LEU 105 -0.635 -14.884 -2.804 829 HA LEU 105 HA LEU 105 2.121 -15.261 -2.280 830 1HB LEU 105 1HB LEU 105 -0.009 -16.969 -1.183 831 2HB LEU 105 2HB LEU 105 1.474 -16.470 -0.503 832 HG LEU 105 HG LEU 105 -0.880 -14.591 -0.793 833 1HD1 LEU 105 3HD1 LEU 105 -1.246 -16.334 0.925 834 2HD1 LEU 105 1HD1 LEU 105 0.315 -15.925 1.670 835 3HD1 LEU 105 2HD1 LEU 105 -1.009 -14.741 1.650 836 1HD2 LEU 105 1HD2 LEU 105 1.898 -14.242 0.414 837 2HD2 LEU 105 2HD2 LEU 105 1.179 -13.323 -0.918 838 3HD2 LEU 105 3HD2 LEU 105 0.543 -13.150 0.729 839 H GLN 106 H GLN 106 3.322 -16.859 -2.771 840 HA GLN 106 HA GLN 106 2.679 -18.338 -5.173 841 1HB GLN 106 2HB GLN 106 4.789 -17.116 -4.850 842 2HB GLN 106 3HB GLN 106 5.261 -18.215 -3.552 843 1HG GLN 106 2HG GLN 106 5.437 -20.077 -5.082 844 2HG GLN 106 3HG GLN 106 4.569 -19.199 -6.348 845 1HE2 GLN 106 2HE2 GLN 106 7.709 -18.450 -7.785 846 2HE2 GLN 106 1HE2 GLN 106 6.208 -19.342 -7.955 No H/Q in entry = 846 Start of MODEL 10 1 1H ALA 2 3H ALA 2 -1.067 13.986 -9.347 2 2H ALA 2 1H ALA 2 -2.569 14.496 -8.886 3 3H ALA 2 2H ALA 2 -1.273 14.808 -7.924 4 HA ALA 2 HA ALA 2 -0.902 12.499 -7.528 5 1HB ALA 2 3HB ALA 2 -2.269 13.763 -5.926 6 2HB ALA 2 1HB ALA 2 -3.721 13.428 -6.884 7 3HB ALA 2 2HB ALA 2 -2.837 12.096 -6.086 8 H GLN 3 H GLN 3 -3.981 13.014 -9.219 9 HA GLN 3 HA GLN 3 -4.926 10.562 -9.809 10 1HB GLN 3 1HB GLN 3 -6.299 11.778 -11.425 11 2HB GLN 3 2HB GLN 3 -6.173 12.616 -9.899 12 1HG GLN 3 1HG GLN 3 -4.597 13.353 -12.411 13 2HG GLN 3 2HG GLN 3 -6.087 14.123 -11.880 14 1HE2 GLN 3 2HE2 GLN 3 -2.951 16.055 -10.700 15 2HE2 GLN 3 1HE2 GLN 3 -3.296 15.335 -12.246 16 H GLU 4 H GLU 4 -2.097 10.389 -10.511 17 HA GLU 4 HA GLU 4 -2.372 8.771 -12.886 18 1HB GLU 4 1HB GLU 4 -2.010 10.909 -14.017 19 2HB GLU 4 2HB GLU 4 -0.675 11.293 -12.924 20 1HG GLU 4 1HG GLU 4 0.651 9.408 -13.829 21 2HG GLU 4 2HG GLU 4 -0.660 9.029 -14.948 22 H PHE 5 H PHE 5 0.096 10.595 -10.898 23 HA PHE 5 HA PHE 5 1.896 8.395 -10.940 24 1HB PHE 5 1HB PHE 5 2.657 10.649 -10.388 25 2HB PHE 5 2HB PHE 5 1.688 10.648 -8.913 26 HD1 PHE 5 2HD PHE 5 4.169 8.274 -10.553 27 HD2 PHE 5 1HD PHE 5 2.939 10.321 -6.962 28 HE1 PHE 5 2HE PHE 5 6.028 7.216 -9.304 29 HE2 PHE 5 1HE PHE 5 4.828 9.278 -5.724 30 HZ PHE 5 HZ PHE 5 6.367 7.739 -6.888 31 H VAL 6 H VAL 6 -0.559 9.291 -8.421 32 HA VAL 6 HA VAL 6 -0.143 6.761 -7.039 33 HB VAL 6 HB VAL 6 -2.152 9.009 -6.854 34 1HG1 VAL 6 1HG1 VAL 6 -2.458 6.378 -5.394 35 2HG1 VAL 6 2HG1 VAL 6 -3.329 7.868 -5.025 36 3HG1 VAL 6 3HG1 VAL 6 -3.587 7.048 -6.572 37 1HG2 VAL 6 2HG2 VAL 6 0.069 9.145 -5.684 38 2HG2 VAL 6 3HG2 VAL 6 -1.322 9.127 -4.578 39 3HG2 VAL 6 1HG2 VAL 6 -0.344 7.674 -4.789 40 H ASN 7 H ASN 7 -2.662 8.081 -9.242 41 HA ASN 7 HA ASN 7 -4.310 5.884 -9.029 42 1HB ASN 7 1HB ASN 7 -4.839 8.139 -10.126 43 2HB ASN 7 2HB ASN 7 -4.173 7.464 -11.623 44 1HD2 ASN 7 2HD2 ASN 7 -7.871 6.367 -10.295 45 2HD2 ASN 7 1HD2 ASN 7 -6.973 7.726 -9.687 46 H CYS 8 H CYS 8 -1.848 6.365 -11.583 47 HA CYS 8 HA CYS 8 -2.571 3.925 -12.935 48 1HB CYS 8 1HB CYS 8 -1.679 6.077 -13.996 49 2HB CYS 8 2HB CYS 8 -0.082 5.615 -13.370 50 HG CYS 8 HG CYS 8 -0.385 5.013 -15.930 51 H LYS 9 H LYS 9 -0.267 4.765 -10.369 52 HA LYS 9 HA LYS 9 1.464 2.500 -10.903 53 1HB LYS 9 1HB LYS 9 1.102 4.339 -8.521 54 2HB LYS 9 2HB LYS 9 2.093 2.889 -8.383 55 1HG LYS 9 1HG LYS 9 2.534 4.890 -10.629 56 2HG LYS 9 2HG LYS 9 3.311 5.066 -9.052 57 1HD LYS 9 1HD LYS 9 4.596 3.138 -9.263 58 2HD LYS 9 2HD LYS 9 3.591 2.418 -10.509 59 1HE LYS 9 1HE LYS 9 5.273 4.925 -10.948 60 2HE LYS 9 2HE LYS 9 5.806 3.279 -11.294 61 1HZ LYS 9 1HZ LYS 9 3.640 3.207 -12.709 62 2HZ LYS 9 2HZ LYS 9 3.797 4.844 -12.714 63 3HZ LYS 9 3HZ LYS 9 4.991 3.905 -13.308 64 H ILE 10 H ILE 10 -1.568 2.896 -8.946 65 HA ILE 10 HA ILE 10 -1.248 0.141 -8.051 66 HB ILE 10 HB ILE 10 -3.904 1.469 -8.058 67 1HG1 ILE 10 1HG1 ILE 10 -2.830 2.137 -5.508 68 2HG1 ILE 10 2HG1 ILE 10 -1.739 2.824 -6.685 69 1HG2 ILE 10 2HG2 ILE 10 -3.503 -0.859 -7.264 70 2HG2 ILE 10 3HG2 ILE 10 -2.380 -0.232 -6.040 71 3HG2 ILE 10 1HG2 ILE 10 -4.092 0.203 -5.968 72 1HD1 ILE 10 3HD1 ILE 10 -3.716 3.892 -7.828 73 2HD1 ILE 10 1HD1 ILE 10 -4.772 3.194 -6.584 74 3HD1 ILE 10 2HD1 ILE 10 -3.556 4.402 -6.136 75 H GLN 11 H GLN 11 -2.014 -1.617 -9.158 76 HA GLN 11 HA GLN 11 -3.750 -1.211 -11.544 77 1HB GLN 11 1HB GLN 11 -1.205 -2.824 -11.170 78 2HB GLN 11 2HB GLN 11 -2.439 -3.377 -12.299 79 1HG GLN 11 1HG GLN 11 -2.208 -1.505 -13.709 80 2HG GLN 11 2HG GLN 11 -1.415 -0.539 -12.456 81 1HE2 GLN 11 2HE2 GLN 11 0.898 -3.457 -14.265 82 2HE2 GLN 11 1HE2 GLN 11 -0.771 -3.862 -13.904 83 HA PRO 12 HA PRO 12 -6.253 -4.103 -9.360 84 1HB PRO 12 1HB PRO 12 -7.806 -5.204 -11.300 85 2HB PRO 12 2HB PRO 12 -7.832 -3.474 -10.883 86 1HG PRO 12 1HG PRO 12 -6.243 -4.803 -13.095 87 2HG PRO 12 2HG PRO 12 -7.360 -3.409 -13.245 88 1HD PRO 12 1HD PRO 12 -4.690 -3.061 -12.968 89 2HD PRO 12 2HD PRO 12 -5.848 -1.975 -12.149 90 H GLY 13 H GLY 13 -3.644 -5.103 -10.038 91 1HA GLY 13 1HA GLY 13 -3.954 -7.816 -9.113 92 2HA GLY 13 2HA GLY 13 -3.443 -7.824 -10.791 93 H LYS 14 H LYS 14 -2.333 -5.207 -8.626 94 HA LYS 14 HA LYS 14 0.278 -6.570 -8.209 95 1HB LYS 14 1HB LYS 14 -0.236 -3.913 -9.541 96 2HB LYS 14 2HB LYS 14 0.923 -3.877 -8.221 97 1HG LYS 14 1HG LYS 14 2.182 -5.746 -9.256 98 2HG LYS 14 2HG LYS 14 1.087 -5.710 -10.622 99 1HD LYS 14 1HD LYS 14 3.066 -4.619 -11.287 100 2HD LYS 14 2HD LYS 14 1.858 -3.346 -11.074 101 1HE LYS 14 1HE LYS 14 2.833 -2.812 -8.846 102 2HE LYS 14 2HE LYS 14 3.992 -4.143 -9.017 103 1HZ LYS 14 2HZ LYS 14 3.838 -1.839 -10.866 104 2HZ LYS 14 3HZ LYS 14 4.878 -1.898 -9.614 105 3HZ LYS 14 1HZ LYS 14 5.028 -2.992 -10.826 106 H VAL 15 H VAL 15 1.365 -5.384 -6.245 107 HA VAL 15 HA VAL 15 -0.734 -4.518 -4.329 108 HB VAL 15 HB VAL 15 1.760 -6.149 -3.623 109 1HG1 VAL 15 2HG1 VAL 15 -0.666 -5.132 -2.140 110 2HG1 VAL 15 3HG1 VAL 15 0.473 -6.310 -1.441 111 3HG1 VAL 15 1HG1 VAL 15 0.990 -4.664 -1.837 112 1HG2 VAL 15 2HG2 VAL 15 -1.102 -7.101 -3.943 113 2HG2 VAL 15 3HG2 VAL 15 0.340 -7.646 -4.837 114 3HG2 VAL 15 1HG2 VAL 15 0.206 -7.996 -3.125 115 H VAL 16 H VAL 16 -0.360 -2.374 -3.804 116 HA VAL 16 HA VAL 16 2.407 -1.365 -4.223 117 HB VAL 16 HB VAL 16 -0.142 -0.059 -5.230 118 1HG1 VAL 16 2HG1 VAL 16 1.749 1.504 -4.729 119 2HG1 VAL 16 3HG1 VAL 16 2.806 0.530 -5.773 120 3HG1 VAL 16 1HG1 VAL 16 1.414 1.404 -6.458 121 1HG2 VAL 16 3HG2 VAL 16 1.875 -1.784 -6.685 122 2HG2 VAL 16 1HG2 VAL 16 0.111 -2.005 -6.568 123 3HG2 VAL 16 2HG2 VAL 16 0.769 -0.663 -7.503 124 H VAL 17 H VAL 17 3.114 -0.098 -2.625 125 HA VAL 17 HA VAL 17 1.092 0.912 -0.676 126 HB VAL 17 HB VAL 17 3.952 0.306 0.065 127 1HG1 VAL 17 1HG1 VAL 17 2.522 1.711 1.581 128 2HG1 VAL 17 2HG1 VAL 17 1.367 0.388 1.687 129 3HG1 VAL 17 3HG1 VAL 17 3.017 0.181 2.321 130 1HG2 VAL 17 1HG2 VAL 17 1.615 -1.655 0.168 131 2HG2 VAL 17 2HG2 VAL 17 3.100 -1.839 -0.780 132 3HG2 VAL 17 3HG2 VAL 17 3.193 -1.862 0.977 133 H PHE 18 H PHE 18 0.919 3.077 -0.601 134 HA PHE 18 HA PHE 18 3.083 4.761 -1.759 135 1HB PHE 18 1HB PHE 18 0.362 5.538 -0.618 136 2HB PHE 18 2HB PHE 18 1.526 6.667 -1.308 137 HD1 PHE 18 1HD PHE 18 2.500 6.056 -3.686 138 HD2 PHE 18 2HD PHE 18 -1.278 4.695 -2.088 139 HE1 PHE 18 1HE PHE 18 1.718 5.511 -5.983 140 HE2 PHE 18 2HE PHE 18 -2.050 4.181 -4.376 141 HZ PHE 18 HZ PHE 18 -0.546 4.577 -6.316 142 H ILE 19 H ILE 19 4.617 5.566 -0.434 143 HA ILE 19 HA ILE 19 4.288 5.431 2.506 144 HB ILE 19 HB ILE 19 6.541 4.284 2.571 145 1HG1 ILE 19 1HG1 ILE 19 6.890 2.917 0.270 146 2HG1 ILE 19 2HG1 ILE 19 6.320 4.403 -0.425 147 1HG2 ILE 19 1HG2 ILE 19 4.389 3.093 2.770 148 2HG2 ILE 19 2HG2 ILE 19 4.490 2.698 1.035 149 3HG2 ILE 19 3HG2 ILE 19 5.721 2.119 2.158 150 1HD1 ILE 19 2HD1 ILE 19 8.172 5.612 0.765 151 2HD1 ILE 19 3HD1 ILE 19 8.725 4.040 1.400 152 3HD1 ILE 19 1HD1 ILE 19 8.737 4.353 -0.346 153 H LYS 20 H LYS 20 6.537 6.143 3.478 154 HA LYS 20 HA LYS 20 7.686 8.392 2.022 155 1HB LYS 20 1HB LYS 20 7.759 9.169 4.728 156 2HB LYS 20 2HB LYS 20 6.903 9.924 3.418 157 1HG LYS 20 1HG LYS 20 4.845 8.952 3.872 158 2HG LYS 20 2HG LYS 20 5.507 7.768 4.981 159 1HD LYS 20 1HD LYS 20 4.443 9.441 6.296 160 2HD LYS 20 2HD LYS 20 6.181 9.624 6.539 161 1HE LYS 20 1HE LYS 20 6.243 11.534 5.014 162 2HE LYS 20 2HE LYS 20 4.553 11.281 4.552 163 1HZ LYS 20 2HZ LYS 20 5.410 11.980 7.306 164 2HZ LYS 20 3HZ LYS 20 4.824 13.036 6.176 165 3HZ LYS 20 1HZ LYS 20 3.877 11.863 6.753 166 HA PRO 21 HA PRO 21 11.194 6.210 2.703 167 1HB PRO 21 1HB PRO 21 13.235 8.078 2.769 168 2HB PRO 21 2HB PRO 21 12.164 7.811 1.367 169 1HG PRO 21 1HG PRO 21 11.988 9.941 3.516 170 2HG PRO 21 2HG PRO 21 11.829 10.121 1.742 171 1HD PRO 21 1HD PRO 21 9.661 9.915 3.418 172 2HD PRO 21 2HD PRO 21 9.672 9.281 1.748 173 H THR 22 H THR 22 10.232 7.655 5.567 174 HA THR 22 HA THR 22 12.763 7.102 7.034 175 HB THR 22 HB THR 22 11.881 9.215 8.301 176 HG1 THR 22 HG1 THR 22 9.862 9.318 7.277 177 1HG2 THR 22 3HG2 THR 22 13.904 9.219 6.909 178 2HG2 THR 22 1HG2 THR 22 12.940 9.473 5.451 179 3HG2 THR 22 2HG2 THR 22 12.992 10.721 6.718 180 H CYS 23 H CSN 23 9.245 6.652 7.145 181 HA CYS 23 HA CSN 23 8.999 7.067 9.897 182 1HB CYS 23 2HB CSN 23 6.729 5.739 8.819 183 2HB CYS 23 3HB CSN 23 6.975 7.452 9.134 184 HA PRO 24 HA PRO 24 9.165 2.855 11.521 185 1HB PRO 24 1HB PRO 24 7.363 2.958 13.560 186 2HB PRO 24 2HB PRO 24 8.945 3.794 13.636 187 1HG PRO 24 1HG PRO 24 6.233 4.945 12.898 188 2HG PRO 24 2HG PRO 24 7.422 5.608 14.045 189 1HD PRO 24 1HD PRO 24 7.241 6.471 11.444 190 2HD PRO 24 2HD PRO 24 8.816 6.378 12.278 191 H TYR 25 H TYR 25 6.128 4.447 10.637 192 HA TYR 25 HA TYR 25 4.479 2.105 10.755 193 1HB TYR 25 1HB TYR 25 4.104 4.735 9.236 194 2HB TYR 25 2HB TYR 25 2.863 3.518 9.521 195 HD1 TYR 25 2HD TYR 25 2.132 2.961 11.893 196 HD2 TYR 25 1HD TYR 25 4.580 6.390 10.921 197 HE1 TYR 25 2HE TYR 25 1.523 4.001 14.044 198 HE2 TYR 25 1HE TYR 25 3.996 7.424 13.084 199 HH TYR 25 HH TYR 25 1.836 5.800 15.468 200 H CYS 26 H CYS 26 6.092 3.858 8.005 201 HA CYS 26 HA CYS 26 5.128 1.985 6.030 202 1HB CYS 26 1HB CYS 26 7.384 4.073 6.038 203 2HB CYS 26 2HB CYS 26 6.912 3.088 4.664 204 HG CYS 26 HG CYS 26 5.753 5.703 5.823 205 H ARG 27 H ARG 27 8.257 2.373 7.837 206 HA ARG 27 HA ARG 27 9.623 0.076 6.987 207 1HB ARG 27 1HB ARG 27 10.474 1.840 8.508 208 2HB ARG 27 2HB ARG 27 9.449 1.175 9.797 209 1HG ARG 27 1HG ARG 27 10.683 -1.050 9.303 210 2HG ARG 27 2HG ARG 27 11.850 -0.092 8.410 211 1HD ARG 27 1HD ARG 27 11.067 0.647 11.266 212 2HD ARG 27 2HD ARG 27 12.247 -0.621 10.935 213 HE ARG 27 HE ARG 27 12.620 2.092 9.747 214 1HH1 ARG 27 2HH2 ARG 27 13.535 0.100 12.439 215 2HH1 ARG 27 1HH2 ARG 27 15.257 0.232 12.267 216 1HH2 ARG 27 2HH1 ARG 27 14.866 2.454 9.437 217 2HH2 ARG 27 1HH1 ARG 27 16.046 1.763 10.521 218 H ARG 28 H ARG 28 7.072 0.183 9.571 219 HA ARG 28 HA ARG 28 7.115 -2.617 10.049 220 1HB ARG 28 1HB ARG 28 5.917 -0.916 11.458 221 2HB ARG 28 2HB ARG 28 4.672 -0.788 10.240 222 1HG ARG 28 1HG ARG 28 3.633 -2.684 10.923 223 2HG ARG 28 2HG ARG 28 5.105 -3.627 10.790 224 1HD ARG 28 1HD ARG 28 5.830 -2.483 13.039 225 2HD ARG 28 2HD ARG 28 4.122 -2.024 13.172 226 HE ARG 28 HE ARG 28 4.756 -4.883 12.704 227 1HH1 ARG 28 2HH2 ARG 28 4.166 -2.423 15.203 228 2HH1 ARG 28 1HH2 ARG 28 3.735 -3.602 16.404 229 1HH2 ARG 28 2HH1 ARG 28 4.439 -6.357 14.309 230 2HH2 ARG 28 1HH1 ARG 28 3.903 -5.860 15.916 231 H ALA 29 H ALA 29 4.883 -0.718 8.039 232 HA ALA 29 HA ALA 29 3.382 -2.865 7.108 233 1HB ALA 29 1HB ALA 29 4.004 -0.242 5.677 234 2HB ALA 29 2HB ALA 29 2.718 -1.364 5.202 235 3HB ALA 29 3HB ALA 29 2.638 -0.579 6.788 236 H GLN 30 H GLN 30 6.392 -1.533 5.547 237 HA GLN 30 HA GLN 30 6.303 -3.253 3.327 238 1HB GLN 30 1HB GLN 30 8.450 -1.660 4.794 239 2HB GLN 30 2HB GLN 30 8.959 -2.942 3.691 240 1HG GLN 30 1HG GLN 30 8.806 -1.255 2.171 241 2HG GLN 30 2HG GLN 30 7.196 -1.978 2.094 242 1HE2 GLN 30 2HE2 GLN 30 7.793 1.883 3.417 243 2HE2 GLN 30 1HE2 GLN 30 9.053 0.827 2.858 244 H GLU 31 H GLU 31 7.875 -3.872 6.603 245 HA GLU 31 HA GLU 31 8.883 -6.298 5.777 246 1HB GLU 31 1HB GLU 31 9.372 -4.578 7.718 247 2HB GLU 31 2HB GLU 31 8.002 -5.319 8.552 248 1HG GLU 31 1HG GLU 31 9.506 -7.469 7.659 249 2HG GLU 31 2HG GLU 31 10.720 -6.218 8.041 250 H ILE 32 H ILE 32 5.970 -5.392 7.643 251 HA ILE 32 HA ILE 32 4.785 -7.875 8.105 252 HB ILE 32 HB ILE 32 3.867 -5.053 7.580 253 1HG1 ILE 32 1HG1 ILE 32 3.769 -7.019 9.925 254 2HG1 ILE 32 2HG1 ILE 32 4.772 -5.590 9.773 255 1HG2 ILE 32 1HG2 ILE 32 2.077 -6.281 6.518 256 2HG2 ILE 32 2HG2 ILE 32 1.917 -7.305 7.973 257 3HG2 ILE 32 3HG2 ILE 32 1.532 -5.565 8.011 258 1HD1 ILE 32 2HD1 ILE 32 2.587 -4.224 9.770 259 2HD1 ILE 32 3HD1 ILE 32 1.765 -5.723 10.242 260 3HD1 ILE 32 1HD1 ILE 32 3.001 -5.053 11.299 261 H LEU 33 H LEU 33 4.594 -5.814 5.162 262 HA LEU 33 HA LEU 33 2.835 -7.740 3.988 263 1HB LEU 33 1HB LEU 33 4.155 -5.216 2.986 264 2HB LEU 33 2HB LEU 33 3.669 -6.370 1.775 265 HG LEU 33 HG LEU 33 1.717 -5.220 3.831 266 1HD1 LEU 33 2HD1 LEU 33 2.224 -4.463 0.945 267 2HD1 LEU 33 3HD1 LEU 33 0.845 -3.949 1.926 268 3HD1 LEU 33 1HD1 LEU 33 2.483 -3.471 2.406 269 1HD2 LEU 33 1HD2 LEU 33 1.082 -7.484 2.827 270 2HD2 LEU 33 2HD2 LEU 33 -0.003 -6.170 2.361 271 3HD2 LEU 33 3HD2 LEU 33 1.224 -6.765 1.224 272 H SER 34 H SER 34 6.312 -6.799 3.486 273 HA SER 34 HA SER 34 6.784 -8.592 1.338 274 1HB SER 34 1HB SER 34 8.058 -6.529 1.969 275 2HB SER 34 2HB SER 34 8.802 -7.431 3.298 276 HG SER 34 HG SER 34 10.045 -7.251 1.378 277 H GLN 35 H GLN 35 6.834 -9.249 4.822 278 HA GLN 35 HA GLN 35 8.495 -11.624 4.686 279 1HB GLN 35 1HB GLN 35 6.453 -10.687 6.740 280 2HB GLN 35 2HB GLN 35 7.517 -12.063 6.970 281 1HG GLN 35 1HG GLN 35 8.832 -9.434 6.317 282 2HG GLN 35 2HG GLN 35 8.072 -9.603 7.905 283 1HE2 GLN 35 2HE2 GLN 35 11.185 -10.872 8.978 284 2HE2 GLN 35 1HE2 GLN 35 9.928 -9.658 9.227 285 H LEU 36 H LEU 36 5.116 -10.949 3.903 286 HA LEU 36 HA LEU 36 4.361 -13.780 3.930 287 1HB LEU 36 1HB LEU 36 3.034 -11.256 2.871 288 2HB LEU 36 2HB LEU 36 2.368 -12.863 2.665 289 HG LEU 36 HG LEU 36 2.858 -11.478 5.342 290 1HD1 LEU 36 3HD1 LEU 36 0.280 -12.019 3.801 291 2HD1 LEU 36 1HD1 LEU 36 0.400 -11.311 5.429 292 3HD1 LEU 36 2HD1 LEU 36 1.058 -10.436 4.038 293 1HD2 LEU 36 1HD2 LEU 36 1.512 -14.141 4.686 294 2HD2 LEU 36 2HD2 LEU 36 2.992 -13.900 5.643 295 3HD2 LEU 36 3HD2 LEU 36 1.450 -13.328 6.268 296 HA PRO 37 HA PRO 37 6.500 -14.152 0.081 297 1HB PRO 37 1HB PRO 37 5.832 -16.662 -0.722 298 2HB PRO 37 2HB PRO 37 6.727 -16.351 0.790 299 1HG PRO 37 1HG PRO 37 3.731 -16.759 0.484 300 2HG PRO 37 2HG PRO 37 4.851 -17.610 1.599 301 1HD PRO 37 1HD PRO 37 3.401 -15.432 2.401 302 2HD PRO 37 2HD PRO 37 5.063 -15.715 2.990 303 H ILE 38 H ILE 38 4.913 -12.298 -0.568 304 HA ILE 38 HA ILE 38 2.765 -12.922 -2.437 305 HB ILE 38 HB ILE 38 4.465 -10.436 -1.771 306 1HG1 ILE 38 1HG1 ILE 38 1.920 -9.547 -1.566 307 2HG1 ILE 38 2HG1 ILE 38 1.573 -11.269 -1.347 308 1HG2 ILE 38 3HG2 ILE 38 2.453 -10.563 -4.051 309 2HG2 ILE 38 1HG2 ILE 38 3.048 -9.061 -3.328 310 3HG2 ILE 38 2HG2 ILE 38 4.182 -10.119 -4.110 311 1HD1 ILE 38 1HD1 ILE 38 3.680 -9.777 0.248 312 2HD1 ILE 38 2HD1 ILE 38 1.983 -9.830 0.723 313 3HD1 ILE 38 3HD1 ILE 38 2.914 -11.346 0.599 314 H LYS 39 H LYS 39 2.867 -13.020 -4.701 315 HA LYS 39 HA LYS 39 5.001 -14.018 -5.977 316 1HB LYS 39 1HB LYS 39 2.541 -12.663 -6.894 317 2HB LYS 39 2HB LYS 39 3.840 -12.875 -8.069 318 1HG LYS 39 1HG LYS 39 3.388 -15.347 -6.522 319 2HG LYS 39 2HG LYS 39 1.904 -14.797 -7.288 320 1HD LYS 39 1HD LYS 39 4.536 -15.105 -8.769 321 2HD LYS 39 2HD LYS 39 3.297 -16.367 -8.659 322 1HE LYS 39 1HE LYS 39 1.623 -14.953 -9.703 323 2HE LYS 39 2HE LYS 39 2.705 -13.559 -9.721 324 1HZ LYS 39 3HZ LYS 39 3.590 -15.971 -11.088 325 2HZ LYS 39 1HZ LYS 39 2.433 -15.040 -11.812 326 3HZ LYS 39 2HZ LYS 39 3.887 -14.397 -11.441 327 H GLN 40 H GLN 40 7.017 -13.161 -6.713 328 HA GLN 40 HA GLN 40 7.533 -10.461 -5.923 329 1HB GLN 40 1HB GLN 40 9.270 -12.249 -6.012 330 2HB GLN 40 2HB GLN 40 9.316 -12.096 -7.773 331 1HG GLN 40 1HG GLN 40 10.450 -10.078 -7.670 332 2HG GLN 40 2HG GLN 40 9.574 -9.528 -6.242 333 1HE2 GLN 40 2HE2 GLN 40 12.083 -10.373 -3.984 334 2HE2 GLN 40 1HE2 GLN 40 10.831 -9.249 -4.474 335 H GLY 41 H GLY 41 8.092 -8.631 -7.204 336 1HA GLY 41 1HA GLY 41 7.836 -7.189 -8.978 337 2HA GLY 41 2HA GLY 41 7.178 -8.491 -9.974 338 H LEU 42 H LEU 42 5.104 -9.117 -7.498 339 HA LEU 42 HA LEU 42 3.174 -7.282 -8.490 340 1HB LEU 42 1HB LEU 42 3.014 -9.014 -6.028 341 2HB LEU 42 2HB LEU 42 1.747 -8.088 -6.768 342 HG LEU 42 HG LEU 42 3.002 -10.624 -7.762 343 1HD1 LEU 42 2HD1 LEU 42 1.007 -10.532 -6.195 344 2HD1 LEU 42 3HD1 LEU 42 0.107 -9.721 -7.491 345 3HD1 LEU 42 1HD1 LEU 42 0.688 -11.370 -7.737 346 1HD2 LEU 42 1HD2 LEU 42 1.274 -8.806 -9.449 347 2HD2 LEU 42 2HD2 LEU 42 2.968 -9.276 -9.769 348 3HD2 LEU 42 3HD2 LEU 42 1.692 -10.498 -9.807 349 H LEU 43 H LEU 43 5.131 -7.562 -5.496 350 HA LEU 43 HA LEU 43 3.696 -5.412 -4.237 351 1HB LEU 43 1HB LEU 43 4.857 -7.601 -3.195 352 2HB LEU 43 2HB LEU 43 6.180 -6.499 -3.018 353 HG LEU 43 HG LEU 43 5.311 -6.045 -1.016 354 1HD1 LEU 43 3HD1 LEU 43 4.714 -3.894 -2.089 355 2HD1 LEU 43 1HD1 LEU 43 3.096 -4.508 -2.446 356 3HD1 LEU 43 2HD1 LEU 43 3.615 -4.309 -0.778 357 1HD2 LEU 43 2HD2 LEU 43 2.679 -7.178 -1.985 358 2HD2 LEU 43 3HD2 LEU 43 3.888 -7.896 -0.924 359 3HD2 LEU 43 1HD2 LEU 43 2.926 -6.531 -0.354 360 H GLU 44 H GLU 44 4.173 -3.255 -4.599 361 HA GLU 44 HA GLU 44 7.028 -2.470 -4.955 362 1HB GLU 44 1HB GLU 44 5.626 -2.399 -7.073 363 2HB GLU 44 2HB GLU 44 4.652 -1.136 -6.294 364 1HG GLU 44 1HG GLU 44 6.751 0.203 -5.964 365 2HG GLU 44 2HG GLU 44 7.673 -1.062 -6.769 366 H PHE 45 H PHE 45 7.547 -0.425 -3.999 367 HA PHE 45 HA PHE 45 5.574 0.691 -2.093 368 1HB PHE 45 1HB PHE 45 8.521 0.602 -1.465 369 2HB PHE 45 2HB PHE 45 7.175 0.876 -0.399 370 HD1 PHE 45 1HD PHE 45 5.379 -1.313 -0.600 371 HD2 PHE 45 2HD PHE 45 9.677 -1.382 -0.873 372 HE1 PHE 45 1HE PHE 45 5.407 -3.602 0.349 373 HE2 PHE 45 2HE PHE 45 9.690 -3.682 0.050 374 HZ PHE 45 HZ PHE 45 7.543 -4.775 0.708 375 H VAL 46 H VAL 46 5.375 2.881 -2.384 376 HA VAL 46 HA VAL 46 7.031 4.158 -4.482 377 HB VAL 46 HB VAL 46 4.007 4.155 -4.062 378 1HG1 VAL 46 3HG1 VAL 46 5.753 5.310 -6.276 379 2HG1 VAL 46 1HG1 VAL 46 3.980 5.240 -6.306 380 3HG1 VAL 46 2HG1 VAL 46 4.796 6.231 -5.092 381 1HG2 VAL 46 2HG2 VAL 46 5.700 2.678 -6.114 382 2HG2 VAL 46 3HG2 VAL 46 4.647 1.962 -4.870 383 3HG2 VAL 46 1HG2 VAL 46 3.935 2.874 -6.200 384 H ASP 47 H ASP 47 8.180 5.659 -3.339 385 HA ASP 47 HA ASP 47 7.304 6.984 -0.991 386 1HB ASP 47 1HB ASP 47 9.662 6.594 -1.748 387 2HB ASP 47 2HB ASP 47 9.449 7.870 -2.950 388 H ILE 48 H ILE 48 5.840 8.571 -0.800 389 HA ILE 48 HA ILE 48 5.047 10.187 -3.166 390 HB ILE 48 HB ILE 48 3.221 11.013 -1.775 391 1HG1 ILE 48 1HG1 ILE 48 3.837 8.956 0.354 392 2HG1 ILE 48 2HG1 ILE 48 4.424 10.609 0.491 393 1HG2 ILE 48 3HG2 ILE 48 2.974 9.007 -3.224 394 2HG2 ILE 48 1HG2 ILE 48 3.472 7.958 -1.885 395 3HG2 ILE 48 2HG2 ILE 48 1.951 8.860 -1.783 396 1HD1 ILE 48 3HD1 ILE 48 1.992 11.364 0.220 397 2HD1 ILE 48 1HD1 ILE 48 1.538 9.656 0.380 398 3HD1 ILE 48 2HD1 ILE 48 2.375 10.479 1.709 399 H THR 49 H THR 49 7.358 10.519 -0.692 400 HA THR 49 HA THR 49 7.209 13.485 -0.886 401 HB THR 49 HB THR 49 6.347 12.584 1.261 402 HG1 THR 49 HG1 THR 49 8.593 14.246 1.145 403 1HG2 THR 49 1HG2 THR 49 9.181 11.633 1.700 404 2HG2 THR 49 2HG2 THR 49 7.946 11.801 2.957 405 3HG2 THR 49 3HG2 THR 49 7.721 10.660 1.599 406 H ALA 50 H ALA 50 8.793 11.129 -2.224 407 HA ALA 50 HA ALA 50 11.521 12.134 -1.940 408 1HB ALA 50 2HB ALA 50 11.009 9.919 -2.976 409 2HB ALA 50 3HB ALA 50 10.185 10.732 -4.309 410 3HB ALA 50 1HB ALA 50 11.925 10.996 -4.047 411 H THR 51 H THR 51 8.857 12.564 -4.344 412 HA THR 51 HA THR 51 9.861 15.296 -4.992 413 HB THR 51 HB THR 51 9.758 14.468 -7.426 414 HG1 THR 51 HG1 THR 51 10.522 11.972 -6.658 415 1HG2 THR 51 1HG2 THR 51 11.922 14.881 -6.207 416 2HG2 THR 51 2HG2 THR 51 11.942 13.186 -5.722 417 3HG2 THR 51 3HG2 THR 51 12.020 13.617 -7.442 418 H ASN 52 H ASN 52 7.187 12.894 -5.371 419 HA ASN 52 HA ASN 52 5.886 14.672 -7.207 420 1HB ASN 52 1HB ASN 52 6.006 12.048 -7.178 421 2HB ASN 52 2HB ASN 52 4.558 12.175 -6.181 422 1HD2 ASN 52 2HD2 ASN 52 4.463 13.304 -10.171 423 2HD2 ASN 52 1HD2 ASN 52 5.990 12.931 -9.381 424 H HIS 53 H HIS 53 5.888 15.572 -4.270 425 HA HIS 53 HA HIS 53 4.520 16.883 -2.970 426 1HB HIS 53 1HB HIS 53 3.922 17.712 -5.291 427 2HB HIS 53 2HB HIS 53 2.433 16.800 -5.136 428 HD1 HIS 53 1HD HIS 53 2.925 18.188 -1.774 429 HD2 HIS 53 2HD HIS 53 1.875 19.616 -5.591 430 HE1 HIS 53 1HE HIS 53 1.583 20.327 -1.401 431 H THR 54 H THR 54 4.542 15.159 -1.499 432 HA THR 54 HA THR 54 2.728 13.111 -1.233 433 HB THR 54 HB THR 54 4.241 12.814 0.362 434 HG1 THR 54 HG1 THR 54 2.264 12.847 1.542 435 1HG2 THR 54 1HG2 THR 54 5.398 14.908 0.158 436 2HG2 THR 54 2HG2 THR 54 4.126 15.687 1.170 437 3HG2 THR 54 3HG2 THR 54 5.171 14.430 1.853 438 H ASN 55 H ASN 55 2.560 16.212 0.284 439 HA ASN 55 HA ASN 55 0.146 16.031 1.548 440 1HB ASN 55 1HB ASN 55 1.875 18.032 1.393 441 2HB ASN 55 2HB ASN 55 0.712 18.693 0.236 442 1HD2 ASN 55 2HD2 ASN 55 -0.272 20.132 3.458 443 2HD2 ASN 55 1HD2 ASN 55 0.771 20.429 2.090 444 H GLU 56 H GLU 56 0.358 17.171 -2.009 445 HA GLU 56 HA GLU 56 -2.328 17.457 -2.477 446 1HB GLU 56 1HB GLU 56 -0.138 18.204 -3.484 447 2HB GLU 56 2HB GLU 56 0.138 16.593 -4.121 448 1HG GLU 56 1HG GLU 56 -2.226 18.311 -4.718 449 2HG GLU 56 2HG GLU 56 -0.652 18.440 -5.553 450 H ILE 57 H ILE 57 -0.100 14.670 -2.814 451 HA ILE 57 HA ILE 57 -1.978 12.822 -3.934 452 HB ILE 57 HB ILE 57 0.764 12.772 -2.689 453 1HG1 ILE 57 1HG1 ILE 57 -0.246 11.581 -5.292 454 2HG1 ILE 57 2HG1 ILE 57 0.188 13.285 -5.118 455 1HG2 ILE 57 1HG2 ILE 57 -0.979 10.334 -2.890 456 2HG2 ILE 57 2HG2 ILE 57 0.765 10.220 -3.122 457 3HG2 ILE 57 3HG2 ILE 57 0.114 10.842 -1.601 458 1HD1 ILE 57 3HD1 ILE 57 2.472 12.618 -4.338 459 2HD1 ILE 57 1HD1 ILE 57 2.076 10.934 -4.748 460 3HD1 ILE 57 2HD1 ILE 57 2.080 12.179 -6.006 461 H GLN 58 H GLN 58 -1.171 13.709 -0.606 462 HA GLN 58 HA GLN 58 -2.497 11.501 0.685 463 1HB GLN 58 1HB GLN 58 -1.365 14.234 1.477 464 2HB GLN 58 2HB GLN 58 -2.445 13.400 2.569 465 1HG GLN 58 1HG GLN 58 -0.824 11.339 2.277 466 2HG GLN 58 2HG GLN 58 0.298 12.570 1.698 467 1HE2 GLN 58 2HE2 GLN 58 -0.526 12.313 5.689 468 2HE2 GLN 58 1HE2 GLN 58 -1.259 11.219 4.525 469 H ASP 59 H ASP 59 -3.374 14.810 -0.275 470 HA ASP 59 HA ASP 59 -6.102 14.790 0.649 471 1HB ASP 59 1HB ASP 59 -4.302 16.534 -0.926 472 2HB ASP 59 2HB ASP 59 -5.962 16.619 -1.419 473 H TYR 60 H TYR 60 -4.720 14.072 -2.556 474 HA TYR 60 HA TYR 60 -7.139 13.199 -3.723 475 1HB TYR 60 1HB TYR 60 -5.038 13.643 -4.906 476 2HB TYR 60 2HB TYR 60 -4.297 12.233 -4.156 477 HD1 TYR 60 2HD TYR 60 -7.161 13.263 -6.341 478 HD2 TYR 60 1HD TYR 60 -4.400 10.131 -5.250 479 HE1 TYR 60 2HE TYR 60 -8.006 11.894 -8.190 480 HE2 TYR 60 1HE TYR 60 -5.187 8.773 -7.177 481 HH TYR 60 HH TYR 60 -7.846 9.877 -9.324 482 H LEU 61 H LEU 61 -4.811 11.326 -1.770 483 HA LEU 61 HA LEU 61 -6.077 8.795 -2.043 484 1HB LEU 61 1HB LEU 61 -4.203 9.998 0.011 485 2HB LEU 61 2HB LEU 61 -4.843 8.388 0.243 486 HG LEU 61 HG LEU 61 -3.389 9.149 -2.323 487 1HD1 LEU 61 1HD1 LEU 61 -2.219 8.235 0.337 488 2HD1 LEU 61 2HD1 LEU 61 -1.370 8.066 -1.225 489 3HD1 LEU 61 3HD1 LEU 61 -1.816 9.659 -0.605 490 1HD2 LEU 61 2HD2 LEU 61 -4.052 6.515 -0.956 491 2HD2 LEU 61 3HD2 LEU 61 -4.688 7.133 -2.480 492 3HD2 LEU 61 1HD2 LEU 61 -2.982 6.691 -2.376 493 H GLN 62 H GLN 62 -6.686 11.475 0.242 494 HA GLN 62 HA GLN 62 -8.425 10.048 1.988 495 1HB GLN 62 1HB GLN 62 -7.536 12.404 2.307 496 2HB GLN 62 2HB GLN 62 -8.757 12.953 1.149 497 1HG GLN 62 1HG GLN 62 -10.476 11.754 2.697 498 2HG GLN 62 2HG GLN 62 -9.181 11.708 3.891 499 1HE2 GLN 62 2HE2 GLN 62 -9.203 15.466 4.009 500 2HE2 GLN 62 1HE2 GLN 62 -7.991 14.235 3.740 501 H GLN 63 H GLN 63 -9.025 11.793 -1.092 502 HA GLN 63 HA GLN 63 -11.820 11.129 -1.104 503 1HB GLN 63 1HB GLN 63 -10.263 12.863 -2.546 504 2HB GLN 63 2HB GLN 63 -10.407 11.548 -3.705 505 1HG GLN 63 1HG GLN 63 -12.297 12.752 -4.247 506 2HG GLN 63 2HG GLN 63 -13.007 11.708 -3.036 507 1HE2 GLN 63 2HE2 GLN 63 -13.155 14.475 -0.577 508 2HE2 GLN 63 1HE2 GLN 63 -13.093 12.726 -0.671 509 H LEU 64 H LEU 64 -9.017 9.711 -2.839 510 HA LEU 64 HA LEU 64 -10.554 7.841 -4.258 511 1HB LEU 64 1HB LEU 64 -8.491 8.413 -5.184 512 2HB LEU 64 2HB LEU 64 -7.647 8.208 -3.660 513 HG LEU 64 HG LEU 64 -7.826 5.717 -3.874 514 1HD1 LEU 64 3HD1 LEU 64 -8.795 6.408 -6.695 515 2HD1 LEU 64 1HD1 LEU 64 -8.235 4.805 -6.168 516 3HD1 LEU 64 2HD1 LEU 64 -9.692 5.492 -5.474 517 1HD2 LEU 64 1HD2 LEU 64 -5.808 7.026 -4.534 518 2HD2 LEU 64 2HD2 LEU 64 -6.025 5.569 -5.520 519 3HD2 LEU 64 3HD2 LEU 64 -6.466 7.155 -6.179 520 H THR 65 H THR 65 -9.169 7.547 -1.007 521 HA THR 65 HA THR 65 -10.090 4.699 -0.934 522 HB THR 65 HB THR 65 -8.305 4.188 0.524 523 HG1 THR 65 HG1 THR 65 -7.615 6.954 0.488 524 1HG2 THR 65 2HG2 THR 65 -7.740 4.305 -1.907 525 2HG2 THR 65 3HG2 THR 65 -7.081 5.942 -1.644 526 3HG2 THR 65 1HG2 THR 65 -6.347 4.554 -0.829 527 H GLY 66 H GLY 66 -10.261 7.816 0.763 528 1HA GLY 66 1HA GLY 66 -12.262 8.053 2.152 529 2HA GLY 66 2HA GLY 66 -11.799 6.561 2.969 530 H ALA 67 H ALA 67 -8.848 7.181 2.860 531 HA ALA 67 HA ALA 67 -8.687 9.415 4.817 532 1HB ALA 67 3HB ALA 67 -7.738 6.553 5.192 533 2HB ALA 67 1HB ALA 67 -7.402 7.897 6.309 534 3HB ALA 67 2HB ALA 67 -9.062 7.331 6.059 535 H ARG 68 H ARG 68 -6.551 10.102 5.289 536 HA ARG 68 HA ARG 68 -4.837 10.027 2.866 537 1HB ARG 68 1HB ARG 68 -4.134 12.148 3.430 538 2HB ARG 68 2HB ARG 68 -5.820 12.148 3.946 539 1HG ARG 68 1HG ARG 68 -4.912 11.636 6.305 540 2HG ARG 68 2HG ARG 68 -3.313 11.998 5.667 541 1HD ARG 68 1HD ARG 68 -5.672 13.866 5.946 542 2HD ARG 68 2HD ARG 68 -4.104 13.949 6.752 543 HE ARG 68 HE ARG 68 -4.718 14.482 3.898 544 1HH1 ARG 68 2HH2 ARG 68 -2.868 15.425 6.737 545 2HH1 ARG 68 1HH2 ARG 68 -1.822 16.525 5.905 546 1HH2 ARG 68 2HH1 ARG 68 -3.425 16.022 2.756 547 2HH2 ARG 68 1HH1 ARG 68 -2.154 16.858 3.556 548 H THR 69 H THR 69 -4.804 8.331 5.799 549 HA THR 69 HA THR 69 -2.194 8.974 6.753 550 HB THR 69 HB THR 69 -2.596 6.855 8.098 551 HG1 THR 69 HG1 THR 69 -4.571 5.872 7.925 552 1HG2 THR 69 2HG2 THR 69 -3.340 9.122 8.884 553 2HG2 THR 69 3HG2 THR 69 -4.918 8.848 8.116 554 3HG2 THR 69 1HG2 THR 69 -4.396 7.815 9.459 555 H VAL 70 H VAL 70 -0.265 8.073 6.342 556 HA VAL 70 HA VAL 70 -0.080 5.958 4.268 557 HB VAL 70 HB VAL 70 2.438 6.746 4.398 558 1HG1 VAL 70 2HG1 VAL 70 0.961 6.833 2.422 559 2HG1 VAL 70 3HG1 VAL 70 0.339 8.410 2.963 560 3HG1 VAL 70 1HG1 VAL 70 2.061 8.210 2.522 561 1HG2 VAL 70 3HG2 VAL 70 2.132 8.416 6.233 562 2HG2 VAL 70 1HG2 VAL 70 2.706 9.164 4.725 563 3HG2 VAL 70 2HG2 VAL 70 1.023 9.347 5.198 564 HA PRO 71 HA PRO 71 1.893 4.357 3.788 565 1HB PRO 71 1HB PRO 71 1.809 1.606 4.158 566 2HB PRO 71 2HB PRO 71 3.239 2.616 4.504 567 1HG PRO 71 1HG PRO 71 1.174 1.622 6.462 568 2HG PRO 71 2HG PRO 71 2.956 1.650 6.619 569 1HD PRO 71 1HD PRO 71 1.403 3.538 7.749 570 2HD PRO 71 2HD PRO 71 2.999 3.934 7.052 571 H ARG 72 H ARG 72 0.346 3.992 2.176 572 HA ARG 72 HA ARG 72 -2.418 3.069 2.966 573 1HB ARG 72 1HB ARG 72 -1.387 4.510 0.481 574 2HB ARG 72 2HB ARG 72 -2.954 3.735 0.545 575 1HG ARG 72 1HG ARG 72 -2.223 6.003 2.425 576 2HG ARG 72 2HG ARG 72 -2.756 6.238 0.792 577 1HD ARG 72 1HD ARG 72 -4.771 6.474 1.771 578 2HD ARG 72 2HD ARG 72 -4.821 4.748 1.406 579 HE ARG 72 HE ARG 72 -3.743 5.490 4.023 580 1HH1 ARG 72 2HH2 ARG 72 -6.827 4.966 2.299 581 2HH1 ARG 72 1HH2 ARG 72 -7.635 4.295 3.691 582 1HH2 ARG 72 2HH1 ARG 72 -5.035 5.097 5.925 583 2HH2 ARG 72 1HH1 ARG 72 -6.631 4.437 5.767 584 H VAL 73 H VAL 73 -2.461 0.829 2.726 585 HA VAL 73 HA VAL 73 -0.781 -0.395 0.593 586 HB VAL 73 HB VAL 73 -2.461 -1.540 2.848 587 1HG1 VAL 73 1HG1 VAL 73 -1.104 -3.037 0.533 588 2HG1 VAL 73 2HG1 VAL 73 -1.750 -3.818 1.992 589 3HG1 VAL 73 3HG1 VAL 73 -2.833 -3.011 0.879 590 1HG2 VAL 73 1HG2 VAL 73 -0.234 -0.679 3.429 591 2HG2 VAL 73 2HG2 VAL 73 -0.312 -2.432 3.582 592 3HG2 VAL 73 3HG2 VAL 73 0.498 -1.693 2.193 593 H PHE 74 H PHE 74 -1.629 -0.755 -1.358 594 HA PHE 74 HA PHE 74 -4.530 -1.234 -1.566 595 1HB PHE 74 1HB PHE 74 -2.603 -0.176 -3.651 596 2HB PHE 74 2HB PHE 74 -4.176 -0.858 -3.994 597 HD1 PHE 74 1HD PHE 74 -2.709 1.885 -1.822 598 HD2 PHE 74 2HD PHE 74 -5.927 0.621 -4.405 599 HE1 PHE 74 1HE PHE 74 -3.585 4.193 -1.881 600 HE2 PHE 74 2HE PHE 74 -6.779 2.937 -4.480 601 HZ PHE 74 HZ PHE 74 -5.561 4.743 -3.271 602 H ILE 75 H ILE 75 -5.029 -3.179 -2.315 603 HA ILE 75 HA ILE 75 -2.943 -5.001 -3.360 604 HB ILE 75 HB ILE 75 -4.753 -5.259 -1.031 605 1HG1 ILE 75 1HG1 ILE 75 -3.290 -7.370 -0.694 606 2HG1 ILE 75 2HG1 ILE 75 -2.297 -6.675 -1.992 607 1HG2 ILE 75 1HG2 ILE 75 -4.670 -7.519 -3.096 608 2HG2 ILE 75 2HG2 ILE 75 -5.302 -7.646 -1.453 609 3HG2 ILE 75 3HG2 ILE 75 -6.126 -6.612 -2.617 610 1HD1 ILE 75 3HD1 ILE 75 -2.064 -4.675 -0.589 611 2HD1 ILE 75 1HD1 ILE 75 -2.991 -5.504 0.700 612 3HD1 ILE 75 2HD1 ILE 75 -1.420 -6.146 0.174 613 H GLY 76 H GLY 76 -3.389 -5.089 -5.514 614 1HA GLY 76 1HA GLY 76 -4.444 -4.971 -7.500 615 2HA GLY 76 2HA GLY 76 -5.673 -5.966 -6.750 616 H LYS 77 H LYS 77 -4.728 -2.565 -7.232 617 HA LYS 77 HA LYS 77 -5.755 -0.592 -6.975 618 1HB LYS 77 1HB LYS 77 -7.123 -2.145 -9.014 619 2HB LYS 77 2HB LYS 77 -8.175 -0.936 -8.355 620 1HG LYS 77 1HG LYS 77 -5.354 -0.122 -9.084 621 2HG LYS 77 2HG LYS 77 -6.492 -0.446 -10.367 622 1HD LYS 77 1HD LYS 77 -8.011 1.298 -9.622 623 2HD LYS 77 2HD LYS 77 -7.157 1.450 -8.086 624 1HE LYS 77 1HE LYS 77 -6.554 3.365 -9.353 625 2HE LYS 77 2HE LYS 77 -5.141 2.310 -9.312 626 1HZ LYS 77 3HZ LYS 77 -6.050 1.547 -11.600 627 2HZ LYS 77 1HZ LYS 77 -6.846 2.971 -11.581 628 3HZ LYS 77 2HZ LYS 77 -5.219 2.969 -11.439 629 H ASP 78 H ASP 78 -6.846 -2.834 -4.887 630 HA ASP 78 HA ASP 78 -9.015 -1.064 -3.920 631 1HB ASP 78 1HB ASP 78 -9.139 -3.697 -4.513 632 2HB ASP 78 2HB ASP 78 -8.658 -3.817 -2.822 633 H CYS 79 H CYS 79 -8.471 0.229 -2.246 634 HA CYS 79 HA CYS 79 -5.968 -0.052 -0.793 635 1HB CYS 79 1HB CYS 79 -7.056 2.127 -1.378 636 2HB CYS 79 2HB CYS 79 -8.329 1.761 -0.192 637 HG CYS 79 HG CYS 79 -6.901 1.726 1.877 638 H ILE 80 H ILE 80 -5.726 -1.452 1.018 639 HA ILE 80 HA ILE 80 -8.153 -2.572 2.209 640 HB ILE 80 HB ILE 80 -6.755 -4.054 3.262 641 1HG1 ILE 80 1HG1 ILE 80 -4.128 -3.797 2.781 642 2HG1 ILE 80 2HG1 ILE 80 -4.562 -2.082 2.773 643 1HG2 ILE 80 2HG2 ILE 80 -7.061 -4.394 0.810 644 2HG2 ILE 80 3HG2 ILE 80 -5.465 -3.668 0.541 645 3HG2 ILE 80 1HG2 ILE 80 -5.616 -5.175 1.471 646 1HD1 ILE 80 2HD1 ILE 80 -5.650 -2.513 5.073 647 2HD1 ILE 80 3HD1 ILE 80 -4.931 -4.128 4.977 648 3HD1 ILE 80 1HD1 ILE 80 -3.891 -2.682 4.991 649 H GLY 81 H GLY 81 -5.806 -0.078 2.803 650 1HA GLY 81 1HA GLY 81 -6.967 1.708 4.323 651 2HA GLY 81 2HA GLY 81 -6.886 0.409 5.516 652 H GLY 82 H GLY 82 -5.564 1.779 6.772 653 1HA GLY 82 1HA GLY 82 -2.824 2.337 5.771 654 2HA GLY 82 2HA GLY 82 -3.569 3.166 7.133 655 H CYS 83 H CYS 83 -1.735 2.543 8.558 656 HA CYS 83 HA CYS 83 -0.639 -0.093 8.319 657 1HB CYS 83 1HB CYS 83 0.388 2.276 9.112 658 2HB CYS 83 2HB CYS 83 -0.055 1.654 10.707 659 HG CYS 83 HG CYS 83 1.772 0.228 8.321 660 H SER 84 H SER 84 -2.945 1.510 10.513 661 HA SER 84 HA SER 84 -2.837 -0.576 12.427 662 1HB SER 84 1HB SER 84 -3.567 1.768 12.849 663 2HB SER 84 2HB SER 84 -5.046 1.465 11.919 664 HG SER 84 HG SER 84 -5.348 1.312 14.144 665 H ASP 85 H ASP 85 -4.759 0.017 9.533 666 HA ASP 85 HA ASP 85 -6.693 -2.110 9.876 667 1HB ASP 85 1HB ASP 85 -5.649 -0.764 7.334 668 2HB ASP 85 2HB ASP 85 -7.045 -1.827 7.436 669 H LEU 86 H LEU 86 -3.694 -1.698 7.966 670 HA LEU 86 HA LEU 86 -3.411 -4.221 6.920 671 1HB LEU 86 1HB LEU 86 -1.999 -2.241 6.359 672 2HB LEU 86 2HB LEU 86 -1.210 -2.379 7.931 673 HG LEU 86 HG LEU 86 -0.424 -4.700 7.267 674 1HD1 LEU 86 3HD1 LEU 86 -1.623 -3.892 4.588 675 2HD1 LEU 86 1HD1 LEU 86 -0.444 -5.210 4.808 676 3HD1 LEU 86 2HD1 LEU 86 -2.026 -5.303 5.575 677 1HD2 LEU 86 1HD2 LEU 86 0.438 -2.293 5.649 678 2HD2 LEU 86 2HD2 LEU 86 1.057 -2.843 7.208 679 3HD2 LEU 86 3HD2 LEU 86 1.352 -3.822 5.761 680 H VAL 87 H VAL 87 -2.171 -3.168 10.244 681 HA VAL 87 HA VAL 87 -0.938 -5.596 10.820 682 HB VAL 87 HB VAL 87 -2.137 -3.276 12.372 683 1HG1 VAL 87 1HG1 VAL 87 -0.885 -5.778 13.533 684 2HG1 VAL 87 2HG1 VAL 87 -1.117 -4.246 14.422 685 3HG1 VAL 87 3HG1 VAL 87 -2.524 -5.146 13.833 686 1HG2 VAL 87 2HG2 VAL 87 0.092 -3.033 11.187 687 2HG2 VAL 87 3HG2 VAL 87 0.202 -2.853 12.952 688 3HG2 VAL 87 1HG2 VAL 87 0.709 -4.361 12.180 689 H SER 88 H SER 88 -4.448 -4.592 11.108 690 HA SER 88 HA SER 88 -5.132 -6.947 12.680 691 1HB SER 88 1HB SER 88 -6.651 -4.839 11.147 692 2HB SER 88 2HB SER 88 -7.361 -6.451 11.119 693 HG SER 88 HG SER 88 -6.556 -5.154 13.482 694 H LEU 89 H LEU 89 -5.349 -6.030 9.178 695 HA LEU 89 HA LEU 89 -6.431 -8.503 8.365 696 1HB LEU 89 1HB LEU 89 -4.769 -6.486 6.802 697 2HB LEU 89 2HB LEU 89 -5.403 -7.956 6.128 698 HG LEU 89 HG LEU 89 -7.738 -7.176 6.950 699 1HD1 LEU 89 2HD1 LEU 89 -6.178 -4.576 6.811 700 2HD1 LEU 89 3HD1 LEU 89 -7.916 -4.643 6.533 701 3HD1 LEU 89 1HD1 LEU 89 -7.270 -5.157 8.091 702 1HD2 LEU 89 1HD2 LEU 89 -6.284 -6.084 4.501 703 2HD2 LEU 89 2HD2 LEU 89 -7.148 -7.634 4.632 704 3HD2 LEU 89 3HD2 LEU 89 -8.051 -6.122 4.710 705 H GLN 90 H GLN 90 -2.977 -7.575 8.894 706 HA GLN 90 HA GLN 90 -1.988 -10.098 7.936 707 1HB GLN 90 1HB GLN 90 -0.637 -8.034 8.122 708 2HB GLN 90 2HB GLN 90 -0.762 -8.100 9.872 709 1HG GLN 90 1HG GLN 90 0.203 -10.673 8.855 710 2HG GLN 90 2HG GLN 90 1.152 -9.382 8.156 711 1HE2 GLN 90 2HE2 GLN 90 2.051 -10.451 11.854 712 2HE2 GLN 90 1HE2 GLN 90 1.116 -11.462 10.740 713 H GLN 91 H GLN 91 -2.517 -8.914 11.355 714 HA GLN 91 HA GLN 91 -1.678 -11.317 12.513 715 1HB GLN 91 1HB GLN 91 -2.364 -8.649 13.259 716 2HB GLN 91 2HB GLN 91 -3.449 -9.632 14.184 717 1HG GLN 91 1HG GLN 91 -0.508 -10.345 14.100 718 2HG GLN 91 2HG GLN 91 -1.002 -8.875 14.904 719 1HE2 GLN 91 2HE2 GLN 91 -2.598 -12.242 16.655 720 2HE2 GLN 91 1HE2 GLN 91 -2.721 -12.153 14.910 721 H SER 92 H SER 92 -4.892 -10.248 11.542 722 HA SER 92 HA SER 92 -6.330 -12.510 12.746 723 1HB SER 92 1HB SER 92 -7.153 -10.074 12.495 724 2HB SER 92 2HB SER 92 -7.286 -10.395 10.762 725 HG SER 92 HG SER 92 -8.996 -11.560 11.068 726 H GLY 93 H GLY 93 -4.495 -11.841 9.879 727 1HA GLY 93 1HA GLY 93 -4.033 -13.183 8.118 728 2HA GLY 93 2HA GLY 93 -5.253 -14.346 8.646 729 H GLU 94 H GLU 94 -6.676 -11.053 8.326 730 HA GLU 94 HA GLU 94 -8.267 -12.104 6.175 731 1HB GLU 94 1HB GLU 94 -8.083 -9.706 7.946 732 2HB GLU 94 2HB GLU 94 -8.589 -9.325 6.311 733 1HG GLU 94 1HG GLU 94 -10.507 -9.734 7.784 734 2HG GLU 94 2HG GLU 94 -10.457 -10.905 6.470 735 H LEU 95 H LEU 95 -5.276 -10.397 6.393 736 HA LEU 95 HA LEU 95 -5.091 -9.173 3.849 737 1HB LEU 95 1HB LEU 95 -3.555 -8.864 5.886 738 2HB LEU 95 2HB LEU 95 -2.838 -10.409 5.507 739 HG LEU 95 HG LEU 95 -1.952 -9.488 3.422 740 1HD1 LEU 95 1HD1 LEU 95 -3.445 -6.933 4.183 741 2HD1 LEU 95 2HD1 LEU 95 -2.183 -7.029 2.935 742 3HD1 LEU 95 3HD1 LEU 95 -3.686 -7.919 2.718 743 1HD2 LEU 95 2HD2 LEU 95 -0.698 -9.183 5.530 744 2HD2 LEU 95 3HD2 LEU 95 -0.427 -7.818 4.446 745 3HD2 LEU 95 1HD2 LEU 95 -1.529 -7.648 5.822 746 H LEU 96 H LEU 96 -4.611 -12.544 4.889 747 HA LEU 96 HA LEU 96 -2.973 -13.285 2.629 748 1HB LEU 96 1HB LEU 96 -4.543 -14.850 4.716 749 2HB LEU 96 2HB LEU 96 -3.920 -15.665 3.305 750 HG LEU 96 HG LEU 96 -2.466 -15.917 5.251 751 1HD1 LEU 96 2HD1 LEU 96 -1.554 -16.054 2.945 752 2HD1 LEU 96 3HD1 LEU 96 -1.077 -14.341 3.048 753 3HD1 LEU 96 1HD1 LEU 96 -0.360 -15.543 4.139 754 1HD2 LEU 96 2HD2 LEU 96 -2.789 -13.689 6.298 755 2HD2 LEU 96 3HD2 LEU 96 -1.086 -14.131 6.122 756 3HD2 LEU 96 1HD2 LEU 96 -1.806 -12.953 5.011 757 H THR 97 H THR 97 -6.519 -13.658 3.344 758 HA THR 97 HA THR 97 -7.110 -14.735 0.764 759 HB THR 97 HB THR 97 -8.990 -12.917 2.310 760 HG1 THR 97 HG1 THR 97 -8.062 -15.454 3.166 761 1HG2 THR 97 1HG2 THR 97 -9.780 -14.040 0.241 762 2HG2 THR 97 2HG2 THR 97 -9.449 -15.614 0.994 763 3HG2 THR 97 3HG2 THR 97 -10.686 -14.537 1.681 764 H ARG 98 H ARG 98 -7.089 -11.337 2.007 765 HA ARG 98 HA ARG 98 -8.030 -10.102 -0.331 766 1HB ARG 98 1HB ARG 98 -6.781 -9.278 2.153 767 2HB ARG 98 2HB ARG 98 -5.970 -8.431 0.854 768 1HG ARG 98 1HG ARG 98 -8.980 -8.472 1.340 769 2HG ARG 98 2HG ARG 98 -7.873 -7.180 1.800 770 1HD ARG 98 1HD ARG 98 -8.183 -6.201 -0.205 771 2HD ARG 98 2HD ARG 98 -7.326 -7.537 -0.913 772 HE ARG 98 HE ARG 98 -9.170 -8.198 -1.974 773 1HH1 ARG 98 2HH2 ARG 98 -10.425 -6.395 0.852 774 2HH1 ARG 98 1HH2 ARG 98 -12.059 -6.924 0.563 775 1HH2 ARG 98 2HH1 ARG 98 -11.230 -8.536 -2.469 776 2HH2 ARG 98 1HH1 ARG 98 -12.558 -8.041 -1.470 777 H LEU 99 H LEU 99 -4.643 -10.956 0.503 778 HA LEU 99 HA LEU 99 -3.553 -9.974 -1.986 779 1HB LEU 99 1HB LEU 99 -2.682 -11.891 0.224 780 2HB LEU 99 2HB LEU 99 -1.666 -11.622 -1.182 781 HG LEU 99 HG LEU 99 -2.492 -9.335 0.619 782 1HD1 LEU 99 3HD1 LEU 99 -0.002 -11.116 0.710 783 2HD1 LEU 99 1HD1 LEU 99 -0.254 -9.631 1.662 784 3HD1 LEU 99 2HD1 LEU 99 -1.276 -11.053 1.931 785 1HD2 LEU 99 2HD2 LEU 99 -0.267 -9.778 -1.425 786 2HD2 LEU 99 3HD2 LEU 99 -1.690 -8.797 -1.685 787 3HD2 LEU 99 1HD2 LEU 99 -0.496 -8.303 -0.459 788 H LYS 100 H LYS 100 -4.257 -13.364 -0.881 789 HA LYS 100 HA LYS 100 -3.579 -14.494 -3.375 790 1HB LYS 100 1HB LYS 100 -5.293 -15.337 -1.018 791 2HB LYS 100 2HB LYS 100 -5.373 -16.290 -2.465 792 1HG LYS 100 1HG LYS 100 -2.611 -15.870 -2.251 793 2HG LYS 100 2HG LYS 100 -3.103 -15.862 -0.568 794 1HD LYS 100 1HD LYS 100 -2.530 -18.130 -1.082 795 2HD LYS 100 2HD LYS 100 -4.297 -18.115 -1.091 796 1HE LYS 100 1HE LYS 100 -4.297 -17.909 -3.553 797 2HE LYS 100 2HE LYS 100 -2.526 -17.770 -3.578 798 1HZ LYS 100 3HZ LYS 100 -3.948 -20.126 -2.546 799 2HZ LYS 100 1HZ LYS 100 -3.409 -20.015 -4.096 800 3HZ LYS 100 2HZ LYS 100 -2.338 -19.998 -2.855 801 H GLN 101 H GLN 101 -6.602 -12.956 -2.494 802 HA GLN 101 HA GLN 101 -8.165 -13.714 -4.695 803 1HB GLN 101 1HB GLN 101 -8.939 -12.250 -2.865 804 2HB GLN 101 2HB GLN 101 -7.875 -10.959 -3.443 805 1HG GLN 101 1HG GLN 101 -9.123 -10.869 -5.567 806 2HG GLN 101 2HG GLN 101 -10.212 -12.139 -4.977 807 1HE2 GLN 101 2HE2 GLN 101 -12.356 -9.674 -3.615 808 2HE2 GLN 101 1HE2 GLN 101 -12.117 -11.272 -4.258 809 H ILE 102 H ILE 102 -5.428 -11.269 -4.620 810 HA ILE 102 HA ILE 102 -5.885 -10.776 -7.482 811 HB ILE 102 HB ILE 102 -4.607 -8.903 -7.277 812 1HG1 ILE 102 1HG1 ILE 102 -3.525 -8.862 -4.590 813 2HG1 ILE 102 2HG1 ILE 102 -3.048 -10.342 -5.345 814 1HG2 ILE 102 3HG2 ILE 102 -6.733 -8.754 -6.030 815 2HG2 ILE 102 1HG2 ILE 102 -5.871 -9.156 -4.524 816 3HG2 ILE 102 2HG2 ILE 102 -5.478 -7.670 -5.385 817 1HD1 ILE 102 2HD1 ILE 102 -2.210 -9.058 -7.335 818 2HD1 ILE 102 3HD1 ILE 102 -2.590 -7.559 -6.451 819 3HD1 ILE 102 1HD1 ILE 102 -1.366 -8.695 -5.829 820 H GLY 103 H GLY 103 -4.479 -13.337 -6.077 821 1HA GLY 103 1HA GLY 103 -3.149 -14.954 -7.037 822 2HA GLY 103 2HA GLY 103 -2.852 -13.886 -8.414 823 H ALA 104 H ALA 104 -2.177 -13.258 -4.968 824 HA ALA 104 HA ALA 104 0.665 -12.541 -5.538 825 1HB ALA 104 3HB ALA 104 -1.224 -12.511 -3.087 826 2HB ALA 104 1HB ALA 104 0.395 -11.817 -3.096 827 3HB ALA 104 2HB ALA 104 -0.903 -11.098 -4.102 828 H LEU 105 H LEU 105 -0.886 -14.659 -2.816 829 HA LEU 105 HA LEU 105 1.759 -15.512 -2.315 830 1HB LEU 105 1HB LEU 105 -0.785 -16.882 -1.583 831 2HB LEU 105 2HB LEU 105 0.731 -17.103 -0.904 832 HG LEU 105 HG LEU 105 -0.893 -15.906 0.576 833 1HD1 LEU 105 1HD1 LEU 105 1.461 -15.982 1.082 834 2HD1 LEU 105 2HD1 LEU 105 1.772 -14.560 0.040 835 3HD1 LEU 105 3HD1 LEU 105 0.794 -14.403 1.522 836 1HD2 LEU 105 2HD2 LEU 105 -1.709 -14.153 -1.071 837 2HD2 LEU 105 3HD2 LEU 105 -1.160 -13.559 0.490 838 3HD2 LEU 105 1HD2 LEU 105 -0.109 -13.389 -0.929 839 H GLN 106 H GLN 106 2.628 -17.164 -2.965 840 HA GLN 106 HA GLN 106 2.052 -17.878 -5.678 841 1HB GLN 106 2HB GLN 106 4.290 -17.252 -4.592 842 2HB GLN 106 3HB GLN 106 4.404 -18.949 -4.069 843 1HG GLN 106 2HG GLN 106 4.199 -19.640 -6.450 844 2HG GLN 106 3HG GLN 106 4.057 -17.948 -6.935 845 1HE2 GLN 106 2HE2 GLN 106 7.763 -17.806 -5.640 846 2HE2 GLN 106 1HE2 GLN 106 6.332 -17.241 -4.822 No H/Q in entry = 846 Start of MODEL 11 1 1H ALA 2 3H ALA 2 -4.639 10.290 -7.509 2 2H ALA 2 1H ALA 2 -3.200 10.143 -6.754 3 3H ALA 2 2H ALA 2 -4.381 11.126 -6.108 4 HA ALA 2 HA ALA 2 -4.225 12.625 -7.900 5 1HB ALA 2 2HB ALA 2 -1.485 11.870 -6.788 6 2HB ALA 2 3HB ALA 2 -1.907 13.392 -7.578 7 3HB ALA 2 1HB ALA 2 -2.655 12.986 -6.024 8 H GLN 3 H GLN 3 -4.098 12.728 -9.944 9 HA GLN 3 HA GLN 3 -3.771 12.434 -12.069 10 1HB GLN 3 1HB GLN 3 -2.404 14.174 -11.127 11 2HB GLN 3 2HB GLN 3 -1.091 13.043 -10.817 12 1HG GLN 3 1HG GLN 3 -0.796 12.737 -13.291 13 2HG GLN 3 2HG GLN 3 -2.044 13.958 -13.559 14 1HE2 GLN 3 2HE2 GLN 3 0.091 16.654 -12.310 15 2HE2 GLN 3 1HE2 GLN 3 -1.596 16.168 -12.518 16 H GLU 4 H GLU 4 -0.909 10.681 -10.729 17 HA GLU 4 HA GLU 4 -1.130 8.535 -12.718 18 1HB GLU 4 1HB GLU 4 -0.222 10.501 -14.019 19 2HB GLU 4 2HB GLU 4 1.140 10.574 -12.902 20 1HG GLU 4 1HG GLU 4 1.696 8.183 -13.559 21 2HG GLU 4 2HG GLU 4 0.386 8.266 -14.748 22 H PHE 5 H PHE 5 1.171 10.366 -10.567 23 HA PHE 5 HA PHE 5 2.825 8.177 -10.029 24 1HB PHE 5 1HB PHE 5 3.078 10.728 -9.583 25 2HB PHE 5 2HB PHE 5 2.343 10.381 -8.023 26 HD1 PHE 5 2HD PHE 5 3.574 8.822 -6.407 27 HD2 PHE 5 1HD PHE 5 5.328 10.161 -10.119 28 HE1 PHE 5 2HE PHE 5 5.825 8.184 -5.590 29 HE2 PHE 5 1HE PHE 5 7.566 9.528 -9.291 30 HZ PHE 5 HZ PHE 5 7.816 8.505 -7.025 31 H VAL 6 H VAL 6 -0.279 9.040 -8.519 32 HA VAL 6 HA VAL 6 -0.215 6.421 -7.129 33 HB VAL 6 HB VAL 6 -2.078 8.807 -6.955 34 1HG1 VAL 6 3HG1 VAL 6 -2.389 6.113 -5.590 35 2HG1 VAL 6 1HG1 VAL 6 -3.273 7.579 -5.141 36 3HG1 VAL 6 2HG1 VAL 6 -3.509 6.857 -6.740 37 1HG2 VAL 6 1HG2 VAL 6 0.085 8.985 -5.748 38 2HG2 VAL 6 2HG2 VAL 6 -1.304 8.935 -4.646 39 3HG2 VAL 6 3HG2 VAL 6 -0.292 7.500 -4.877 40 H ASN 7 H ASN 7 -2.317 8.356 -9.357 41 HA ASN 7 HA ASN 7 -4.162 6.275 -9.538 42 1HB ASN 7 1HB ASN 7 -3.782 8.629 -11.415 43 2HB ASN 7 2HB ASN 7 -5.178 7.560 -11.413 44 1HD2 ASN 7 2HD2 ASN 7 -6.550 10.215 -9.454 45 2HD2 ASN 7 1HD2 ASN 7 -6.185 9.872 -11.104 46 H CYS 8 H CYS 8 -1.237 6.488 -11.388 47 HA CYS 8 HA CYS 8 -2.223 4.471 -13.363 48 1HB CYS 8 1HB CYS 8 -1.171 6.515 -14.293 49 2HB CYS 8 2HB CYS 8 0.291 6.197 -13.329 50 HG CYS 8 HG CYS 8 -1.090 4.283 -15.637 51 H LYS 9 H LYS 9 -0.134 5.052 -10.581 52 HA LYS 9 HA LYS 9 1.583 2.780 -10.886 53 1HB LYS 9 1HB LYS 9 1.170 4.941 -8.994 54 2HB LYS 9 2HB LYS 9 1.267 3.431 -8.112 55 1HG LYS 9 1HG LYS 9 3.464 4.446 -8.307 56 2HG LYS 9 2HG LYS 9 3.413 2.894 -9.135 57 1HD LYS 9 1HD LYS 9 3.176 4.127 -11.324 58 2HD LYS 9 2HD LYS 9 3.328 5.662 -10.434 59 1HE LYS 9 1HE LYS 9 5.567 5.071 -9.702 60 2HE LYS 9 2HE LYS 9 5.365 3.405 -10.260 61 1HZ LYS 9 1HZ LYS 9 5.284 4.227 -12.533 62 2HZ LYS 9 2HZ LYS 9 5.562 5.782 -12.018 63 3HZ LYS 9 3HZ LYS 9 6.683 4.581 -11.811 64 H ILE 10 H ILE 10 -1.594 3.115 -9.101 65 HA ILE 10 HA ILE 10 -1.345 0.503 -7.996 66 HB ILE 10 HB ILE 10 -4.014 1.674 -8.746 67 1HG1 ILE 10 1HG1 ILE 10 -3.089 2.601 -6.078 68 2HG1 ILE 10 2HG1 ILE 10 -2.293 3.422 -7.399 69 1HG2 ILE 10 3HG2 ILE 10 -2.930 0.196 -6.312 70 2HG2 ILE 10 1HG2 ILE 10 -4.582 0.805 -6.464 71 3HG2 ILE 10 2HG2 ILE 10 -3.991 -0.455 -7.579 72 1HD1 ILE 10 3HD1 ILE 10 -5.288 3.113 -7.154 73 2HD1 ILE 10 1HD1 ILE 10 -4.341 4.573 -6.762 74 3HD1 ILE 10 2HD1 ILE 10 -4.410 3.983 -8.441 75 H GLN 11 H GLN 11 -2.175 -1.573 -8.820 76 HA GLN 11 HA GLN 11 -3.230 -1.508 -11.577 77 1HB GLN 11 1HB GLN 11 -0.609 -2.517 -10.790 78 2HB GLN 11 2HB GLN 11 -1.622 -3.840 -11.341 79 1HG GLN 11 1HG GLN 11 -1.042 -3.383 -13.395 80 2HG GLN 11 2HG GLN 11 -2.057 -1.946 -13.319 81 1HE2 GLN 11 2HE2 GLN 11 0.775 0.072 -13.948 82 2HE2 GLN 11 1HE2 GLN 11 -0.873 -0.379 -14.415 83 HA PRO 12 HA PRO 12 -5.957 -4.510 -9.656 84 1HB PRO 12 1HB PRO 12 -7.298 -5.437 -11.859 85 2HB PRO 12 2HB PRO 12 -7.548 -3.794 -11.194 86 1HG PRO 12 1HG PRO 12 -5.798 -4.598 -13.534 87 2HG PRO 12 2HG PRO 12 -6.965 -3.248 -13.430 88 1HD PRO 12 1HD PRO 12 -4.278 -2.926 -13.014 89 2HD PRO 12 2HD PRO 12 -5.504 -1.937 -12.170 90 H GLY 13 H GLY 13 -4.252 -5.844 -8.959 91 1HA GLY 13 1HA GLY 13 -3.839 -8.323 -9.134 92 2HA GLY 13 2HA GLY 13 -3.291 -7.914 -10.739 93 H LYS 14 H LYS 14 -2.497 -5.488 -8.429 94 HA LYS 14 HA LYS 14 0.221 -6.575 -7.920 95 1HB LYS 14 1HB LYS 14 -0.348 -4.595 -9.715 96 2HB LYS 14 2HB LYS 14 -0.172 -3.607 -8.280 97 1HG LYS 14 1HG LYS 14 2.134 -4.390 -8.059 98 2HG LYS 14 2HG LYS 14 1.891 -5.617 -9.324 99 1HD LYS 14 1HD LYS 14 1.559 -3.852 -10.988 100 2HD LYS 14 2HD LYS 14 1.615 -2.601 -9.738 101 1HE LYS 14 1HE LYS 14 3.682 -2.625 -10.947 102 2HE LYS 14 2HE LYS 14 3.985 -3.117 -9.283 103 1HZ LYS 14 2HZ LYS 14 3.461 -5.291 -11.135 104 2HZ LYS 14 3HZ LYS 14 4.828 -4.431 -11.441 105 3HZ LYS 14 1HZ LYS 14 4.624 -5.154 -9.971 106 H VAL 15 H VAL 15 1.237 -5.554 -5.966 107 HA VAL 15 HA VAL 15 -0.780 -4.602 -4.022 108 HB VAL 15 HB VAL 15 1.874 -5.985 -3.520 109 1HG1 VAL 15 1HG1 VAL 15 -0.549 -5.254 -1.884 110 2HG1 VAL 15 2HG1 VAL 15 0.727 -6.314 -1.243 111 3HG1 VAL 15 3HG1 VAL 15 1.059 -4.616 -1.650 112 1HG2 VAL 15 1HG2 VAL 15 -0.873 -7.262 -3.573 113 2HG2 VAL 15 2HG2 VAL 15 0.489 -7.637 -4.642 114 3HG2 VAL 15 3HG2 VAL 15 0.622 -8.004 -2.937 115 H VAL 16 H VAL 16 -0.588 -2.415 -4.769 116 HA VAL 16 HA VAL 16 2.143 -1.234 -4.740 117 HB VAL 16 HB VAL 16 -0.523 -0.347 -5.882 118 1HG1 VAL 16 2HG1 VAL 16 2.117 1.181 -5.842 119 2HG1 VAL 16 3HG1 VAL 16 0.685 1.614 -6.800 120 3HG1 VAL 16 1HG1 VAL 16 0.614 1.671 -5.032 121 1HG2 VAL 16 1HG2 VAL 16 0.976 -2.110 -7.065 122 2HG2 VAL 16 2HG2 VAL 16 0.561 -0.686 -8.005 123 3HG2 VAL 16 3HG2 VAL 16 2.157 -0.819 -7.265 124 H VAL 17 H VAL 17 2.720 0.093 -3.082 125 HA VAL 17 HA VAL 17 0.667 0.710 -1.032 126 HB VAL 17 HB VAL 17 3.474 -0.307 -0.528 127 1HG1 VAL 17 1HG1 VAL 17 1.082 0.215 1.295 128 2HG1 VAL 17 2HG1 VAL 17 2.593 -0.566 1.812 129 3HG1 VAL 17 3HG1 VAL 17 2.591 1.114 1.272 130 1HG2 VAL 17 1HG2 VAL 17 0.862 -1.849 -0.451 131 2HG2 VAL 17 2HG2 VAL 17 2.267 -2.147 -1.494 132 3HG2 VAL 17 3HG2 VAL 17 2.417 -2.400 0.233 133 H PHE 18 H PHE 18 0.581 2.851 -0.818 134 HA PHE 18 HA PHE 18 2.857 4.495 -1.746 135 1HB PHE 18 1HB PHE 18 0.159 5.357 -0.643 136 2HB PHE 18 2HB PHE 18 1.384 6.431 -1.332 137 HD1 PHE 18 2HD PHE 18 2.243 5.998 -3.700 138 HD2 PHE 18 1HD PHE 18 -1.331 4.172 -2.124 139 HE1 PHE 18 2HE PHE 18 1.557 5.352 -5.991 140 HE2 PHE 18 1HE PHE 18 -2.040 3.574 -4.409 141 HZ PHE 18 HZ PHE 18 -0.590 4.184 -6.362 142 H ILE 19 H ILE 19 4.358 5.310 -0.401 143 HA ILE 19 HA ILE 19 4.076 5.064 2.532 144 HB ILE 19 HB ILE 19 6.327 4.050 2.611 145 1HG1 ILE 19 1HG1 ILE 19 6.371 3.181 -0.239 146 2HG1 ILE 19 2HG1 ILE 19 6.719 4.878 0.005 147 1HG2 ILE 19 1HG2 ILE 19 4.412 2.566 2.734 148 2HG2 ILE 19 2HG2 ILE 19 4.423 2.379 0.964 149 3HG2 ILE 19 3HG2 ILE 19 5.782 1.793 1.924 150 1HD1 ILE 19 2HD1 ILE 19 8.189 2.634 1.409 151 2HD1 ILE 19 3HD1 ILE 19 8.779 3.592 0.032 152 3HD1 ILE 19 1HD1 ILE 19 8.505 4.375 1.600 153 H LYS 20 H LYS 20 6.309 6.010 3.469 154 HA LYS 20 HA LYS 20 7.741 7.709 1.643 155 1HB LYS 20 1HB LYS 20 7.768 9.673 3.169 156 2HB LYS 20 2HB LYS 20 6.200 9.387 2.424 157 1HG LYS 20 1HG LYS 20 5.527 8.168 4.600 158 2HG LYS 20 2HG LYS 20 7.020 8.799 5.294 159 1HD LYS 20 1HD LYS 20 4.685 10.406 4.173 160 2HD LYS 20 2HD LYS 20 5.084 10.138 5.866 161 1HE LYS 20 1HE LYS 20 7.454 11.202 4.797 162 2HE LYS 20 2HE LYS 20 6.189 12.080 3.927 163 1HZ LYS 20 1HZ LYS 20 5.230 12.632 6.126 164 2HZ LYS 20 2HZ LYS 20 6.459 11.858 6.855 165 3HZ LYS 20 3HZ LYS 20 6.773 13.200 5.965 166 HA PRO 21 HA PRO 21 10.706 5.522 3.929 167 1HB PRO 21 1HB PRO 21 12.999 7.066 3.754 168 2HB PRO 21 2HB PRO 21 12.302 6.136 2.392 169 1HG PRO 21 1HG PRO 21 11.915 9.075 3.048 170 2HG PRO 21 2HG PRO 21 12.331 8.336 1.464 171 1HD PRO 21 1HD PRO 21 9.780 8.987 2.033 172 2HD PRO 21 2HD PRO 21 10.145 7.432 1.223 173 H THR 22 H THR 22 9.840 8.727 5.160 174 HA THR 22 HA THR 22 11.478 8.574 7.535 175 HB THR 22 HB THR 22 9.920 10.495 8.178 176 HG1 THR 22 HG1 THR 22 8.171 10.438 7.097 177 1HG2 THR 22 3HG2 THR 22 12.085 10.916 7.076 178 2HG2 THR 22 1HG2 THR 22 11.319 10.757 5.477 179 3HG2 THR 22 2HG2 THR 22 10.855 12.081 6.565 180 H CYS 23 H CSN 23 8.329 7.275 6.574 181 HA CYS 23 HA CSN 23 7.124 7.581 9.136 182 1HB CYS 23 2HB CSN 23 5.948 7.534 6.928 183 2HB CYS 23 3HB CSN 23 6.381 5.859 6.793 184 HA PRO 24 HA PRO 24 8.828 3.654 10.756 185 1HB PRO 24 1HB PRO 24 7.822 3.761 13.277 186 2HB PRO 24 2HB PRO 24 9.179 4.791 12.749 187 1HG PRO 24 1HG PRO 24 6.228 5.512 12.894 188 2HG PRO 24 2HG PRO 24 7.613 6.443 13.537 189 1HD PRO 24 1HD PRO 24 6.473 6.973 11.104 190 2HD PRO 24 2HD PRO 24 8.225 7.192 11.389 191 H TYR 25 H TYR 25 5.502 4.631 10.175 192 HA TYR 25 HA TYR 25 4.456 1.952 10.930 193 1HB TYR 25 1HB TYR 25 3.073 4.353 9.691 194 2HB TYR 25 2HB TYR 25 2.338 2.826 10.091 195 HD1 TYR 25 2HD TYR 25 1.846 2.170 12.432 196 HD2 TYR 25 1HD TYR 25 3.803 5.900 11.485 197 HE1 TYR 25 2HE TYR 25 1.260 3.047 14.669 198 HE2 TYR 25 1HE TYR 25 3.212 6.790 13.701 199 HH TYR 25 HH TYR 25 1.815 6.453 15.554 200 H CYS 26 H CYS 26 5.352 3.948 8.045 201 HA CYS 26 HA CYS 26 4.576 1.984 6.105 202 1HB CYS 26 1HB CYS 26 6.885 4.006 6.063 203 2HB CYS 26 2HB CYS 26 6.419 2.974 4.726 204 HG CYS 26 HG CYS 26 4.631 5.271 6.292 205 H ARG 27 H ARG 27 7.595 2.421 8.021 206 HA ARG 27 HA ARG 27 9.053 0.288 6.999 207 1HB ARG 27 1HB ARG 27 9.577 2.032 8.955 208 2HB ARG 27 2HB ARG 27 9.069 0.703 9.995 209 1HG ARG 27 1HG ARG 27 10.743 -0.773 8.702 210 2HG ARG 27 2HG ARG 27 11.289 0.716 7.912 211 1HD ARG 27 1HD ARG 27 11.374 1.461 10.559 212 2HD ARG 27 2HD ARG 27 11.690 -0.263 10.704 213 HE ARG 27 HE ARG 27 13.306 1.803 9.327 214 1HH1 ARG 27 2HH2 ARG 27 13.023 -1.730 9.982 215 2HH1 ARG 27 1HH2 ARG 27 14.672 -2.032 9.630 216 1HH2 ARG 27 2HH1 ARG 27 15.489 1.357 8.921 217 2HH2 ARG 27 1HH1 ARG 27 16.022 -0.293 8.736 218 H ARG 28 H ARG 28 6.497 0.090 9.519 219 HA ARG 28 HA ARG 28 6.810 -2.737 9.941 220 1HB ARG 28 1HB ARG 28 5.410 -1.230 11.422 221 2HB ARG 28 2HB ARG 28 4.215 -1.137 10.162 222 1HG ARG 28 1HG ARG 28 3.273 -3.088 10.885 223 2HG ARG 28 2HG ARG 28 4.670 -3.956 10.378 224 1HD ARG 28 1HD ARG 28 4.285 -2.700 13.131 225 2HD ARG 28 2HD ARG 28 4.205 -4.418 12.710 226 HE ARG 28 HE ARG 28 6.741 -3.683 11.880 227 1HH1 ARG 28 2HH2 ARG 28 5.141 -3.847 15.034 228 2HH1 ARG 28 1HH2 ARG 28 6.592 -3.484 15.922 229 1HH2 ARG 28 2HH1 ARG 28 8.568 -3.897 12.980 230 2HH2 ARG 28 1HH1 ARG 28 8.646 -3.851 14.728 231 H ALA 29 H ALA 29 4.531 -0.859 7.967 232 HA ALA 29 HA ALA 29 3.278 -3.111 6.815 233 1HB ALA 29 2HB ALA 29 3.702 -0.339 5.646 234 2HB ALA 29 3HB ALA 29 2.670 -1.571 4.891 235 3HB ALA 29 1HB ALA 29 2.274 -0.959 6.516 236 H GLN 30 H GLN 30 6.299 -1.495 5.666 237 HA GLN 30 HA GLN 30 6.790 -3.253 3.547 238 1HB GLN 30 1HB GLN 30 8.453 -1.425 5.269 239 2HB GLN 30 2HB GLN 30 9.301 -2.782 4.542 240 1HG GLN 30 1HG GLN 30 9.526 -1.673 2.675 241 2HG GLN 30 2HG GLN 30 7.803 -1.884 2.448 242 1HE2 GLN 30 2HE2 GLN 30 9.377 1.827 3.081 243 2HE2 GLN 30 1HE2 GLN 30 10.371 0.399 2.849 244 H GLU 31 H GLU 31 7.582 -3.770 7.038 245 HA GLU 31 HA GLU 31 9.077 -6.150 6.311 246 1HB GLU 31 1HB GLU 31 9.675 -6.311 8.542 247 2HB GLU 31 2HB GLU 31 9.274 -4.600 8.486 248 1HG GLU 31 1HG GLU 31 6.943 -5.313 9.382 249 2HG GLU 31 2HG GLU 31 7.653 -6.896 9.661 250 H ILE 32 H ILE 32 5.905 -5.511 7.633 251 HA ILE 32 HA ILE 32 4.857 -8.117 7.870 252 HB ILE 32 HB ILE 32 3.779 -5.326 7.419 253 1HG1 ILE 32 1HG1 ILE 32 3.351 -7.447 9.577 254 2HG1 ILE 32 2HG1 ILE 32 4.472 -6.089 9.673 255 1HG2 ILE 32 2HG2 ILE 32 1.991 -7.739 7.417 256 2HG2 ILE 32 3HG2 ILE 32 1.483 -6.031 7.516 257 3HG2 ILE 32 1HG2 ILE 32 2.256 -6.601 6.061 258 1HD1 ILE 32 1HD1 ILE 32 2.395 -4.569 9.392 259 2HD1 ILE 32 2HD1 ILE 32 1.432 -6.022 9.735 260 3HD1 ILE 32 3HD1 ILE 32 2.575 -5.433 10.943 261 H LEU 33 H LEU 33 4.706 -5.844 5.039 262 HA LEU 33 HA LEU 33 3.415 -7.957 3.606 263 1HB LEU 33 1HB LEU 33 4.297 -5.182 2.772 264 2HB LEU 33 2HB LEU 33 3.846 -6.348 1.567 265 HG LEU 33 HG LEU 33 1.970 -5.331 3.766 266 1HD1 LEU 33 1HD1 LEU 33 2.416 -3.719 2.023 267 2HD1 LEU 33 2HD1 LEU 33 1.903 -4.899 0.781 268 3HD1 LEU 33 3HD1 LEU 33 0.753 -4.320 1.986 269 1HD2 LEU 33 2HD2 LEU 33 1.520 -7.328 1.471 270 2HD2 LEU 33 3HD2 LEU 33 1.389 -7.688 3.196 271 3HD2 LEU 33 1HD2 LEU 33 0.234 -6.592 2.440 272 H SER 34 H SER 34 6.868 -6.737 3.679 273 HA SER 34 HA SER 34 7.649 -8.364 1.442 274 1HB SER 34 1HB SER 34 9.330 -7.428 3.788 275 2HB SER 34 2HB SER 34 9.928 -8.034 2.233 276 HG SER 34 HG SER 34 8.458 -5.717 2.834 277 H GLN 35 H GLN 35 7.280 -9.172 4.963 278 HA GLN 35 HA GLN 35 8.630 -11.707 4.625 279 1HB GLN 35 1HB GLN 35 6.888 -10.548 6.833 280 2HB GLN 35 2HB GLN 35 7.496 -12.194 6.874 281 1HG GLN 35 1HG GLN 35 9.792 -10.659 6.273 282 2HG GLN 35 2HG GLN 35 8.921 -9.705 7.466 283 1HE2 GLN 35 2HE2 GLN 35 10.434 -13.415 8.507 284 2HE2 GLN 35 1HE2 GLN 35 10.174 -13.022 6.817 285 H LEU 36 H LEU 36 5.542 -10.738 3.491 286 HA LEU 36 HA LEU 36 4.479 -13.474 3.667 287 1HB LEU 36 1HB LEU 36 3.435 -10.885 2.514 288 2HB LEU 36 2HB LEU 36 2.734 -12.442 2.082 289 HG LEU 36 HG LEU 36 2.866 -11.272 4.885 290 1HD1 LEU 36 1HD1 LEU 36 1.212 -10.215 3.373 291 2HD1 LEU 36 2HD1 LEU 36 0.492 -11.820 3.074 292 3HD1 LEU 36 3HD1 LEU 36 0.448 -11.104 4.698 293 1HD2 LEU 36 1HD2 LEU 36 1.739 -13.929 3.886 294 2HD2 LEU 36 2HD2 LEU 36 2.958 -13.687 5.148 295 3HD2 LEU 36 3HD2 LEU 36 1.300 -13.204 5.448 296 HA PRO 37 HA PRO 37 6.701 -14.420 -0.069 297 1HB PRO 37 1HB PRO 37 5.853 -16.950 -0.511 298 2HB PRO 37 2HB PRO 37 6.780 -16.519 0.954 299 1HG PRO 37 1HG PRO 37 3.765 -16.778 0.663 300 2HG PRO 37 2HG PRO 37 4.836 -17.514 1.897 301 1HD PRO 37 1HD PRO 37 3.478 -15.171 2.326 302 2HD PRO 37 2HD PRO 37 5.096 -15.479 3.020 303 H ILE 38 H ILE 38 5.483 -12.668 -1.154 304 HA ILE 38 HA ILE 38 3.046 -13.478 -2.684 305 HB ILE 38 HB ILE 38 4.429 -10.923 -1.687 306 1HG1 ILE 38 1HG1 ILE 38 1.446 -11.555 -1.528 307 2HG1 ILE 38 2HG1 ILE 38 2.593 -12.332 -0.439 308 1HG2 ILE 38 2HG2 ILE 38 2.246 -10.816 -3.814 309 2HG2 ILE 38 3HG2 ILE 38 2.760 -9.444 -2.829 310 3HG2 ILE 38 1HG2 ILE 38 3.899 -10.186 -3.927 311 1HD1 ILE 38 2HD1 ILE 38 3.497 -10.018 0.143 312 2HD1 ILE 38 3HD1 ILE 38 2.036 -9.368 -0.646 313 3HD1 ILE 38 1HD1 ILE 38 1.921 -10.426 0.767 314 H LYS 39 H LYS 39 2.993 -13.205 -4.991 315 HA LYS 39 HA LYS 39 5.054 -13.908 -6.394 316 1HB LYS 39 1HB LYS 39 2.592 -12.468 -7.129 317 2HB LYS 39 2HB LYS 39 3.832 -12.553 -8.376 318 1HG LYS 39 1HG LYS 39 2.794 -14.989 -6.864 319 2HG LYS 39 2HG LYS 39 2.097 -14.413 -8.348 320 1HD LYS 39 1HD LYS 39 4.946 -15.428 -7.924 321 2HD LYS 39 2HD LYS 39 3.606 -16.332 -8.623 322 1HE LYS 39 1HE LYS 39 3.495 -14.859 -10.537 323 2HE LYS 39 2HE LYS 39 4.718 -13.774 -9.856 324 1HZ LYS 39 1HZ LYS 39 5.297 -16.612 -10.413 325 2HZ LYS 39 2HZ LYS 39 5.538 -15.414 -11.528 326 3HZ LYS 39 3HZ LYS 39 6.341 -15.404 -10.077 327 H GLN 40 H GLN 40 6.912 -13.084 -7.372 328 HA GLN 40 HA GLN 40 8.012 -10.770 -6.183 329 1HB GLN 40 1HB GLN 40 9.268 -12.730 -7.102 330 2HB GLN 40 2HB GLN 40 8.901 -12.171 -8.746 331 1HG GLN 40 1HG GLN 40 10.114 -10.054 -8.267 332 2HG GLN 40 2HG GLN 40 10.458 -10.625 -6.625 333 1HE2 GLN 40 2HE2 GLN 40 13.459 -11.169 -8.801 334 2HE2 GLN 40 1HE2 GLN 40 12.556 -9.849 -8.058 335 H GLY 41 H GLY 41 8.220 -8.632 -6.915 336 1HA GLY 41 1HA GLY 41 7.979 -6.832 -8.305 337 2HA GLY 41 2HA GLY 41 7.392 -7.876 -9.584 338 H LEU 42 H LEU 42 5.234 -8.796 -7.121 339 HA LEU 42 HA LEU 42 3.269 -6.876 -8.009 340 1HB LEU 42 1HB LEU 42 3.112 -8.801 -5.686 341 2HB LEU 42 2HB LEU 42 1.862 -7.826 -6.383 342 HG LEU 42 HG LEU 42 3.116 -10.286 -7.550 343 1HD1 LEU 42 1HD1 LEU 42 1.173 -10.407 -5.978 344 2HD1 LEU 42 2HD1 LEU 42 0.244 -9.378 -7.092 345 3HD1 LEU 42 3HD1 LEU 42 0.762 -10.985 -7.610 346 1HD2 LEU 42 2HD2 LEU 42 1.400 -8.283 -9.045 347 2HD2 LEU 42 3HD2 LEU 42 3.064 -8.785 -9.420 348 3HD2 LEU 42 1HD2 LEU 42 1.740 -9.946 -9.574 349 H LEU 43 H LEU 43 5.444 -7.222 -5.159 350 HA LEU 43 HA LEU 43 3.844 -5.259 -3.700 351 1HB LEU 43 1HB LEU 43 5.436 -7.381 -2.839 352 2HB LEU 43 2HB LEU 43 6.444 -5.997 -2.504 353 HG LEU 43 HG LEU 43 5.338 -6.175 -0.542 354 1HD1 LEU 43 3HD1 LEU 43 4.846 -3.878 -1.478 355 2HD1 LEU 43 1HD1 LEU 43 3.212 -4.446 -1.822 356 3HD1 LEU 43 2HD1 LEU 43 3.820 -4.427 -0.159 357 1HD2 LEU 43 3HD2 LEU 43 2.944 -7.169 -2.093 358 2HD2 LEU 43 1HD2 LEU 43 3.968 -8.009 -0.934 359 3HD2 LEU 43 2HD2 LEU 43 2.845 -6.766 -0.362 360 H GLU 44 H GLU 44 4.023 -3.201 -4.432 361 HA GLU 44 HA GLU 44 6.754 -2.159 -5.078 362 1HB GLU 44 1HB GLU 44 5.282 -2.488 -7.081 363 2HB GLU 44 2HB GLU 44 4.152 -1.308 -6.383 364 1HG GLU 44 1HG GLU 44 6.083 0.339 -6.265 365 2HG GLU 44 2HG GLU 44 7.083 -0.847 -7.098 366 H PHE 45 H PHE 45 7.321 -1.061 -3.285 367 HA PHE 45 HA PHE 45 5.374 0.564 -1.794 368 1HB PHE 45 1HB PHE 45 8.362 0.140 -1.416 369 2HB PHE 45 2HB PHE 45 7.291 0.984 -0.305 370 HD1 PHE 45 2HD PHE 45 5.276 -0.356 0.660 371 HD2 PHE 45 1HD PHE 45 8.693 -2.212 -1.167 372 HE1 PHE 45 2HE PHE 45 4.665 -2.547 1.721 373 HE2 PHE 45 1HE PHE 45 8.140 -4.352 -0.069 374 HZ PHE 45 HZ PHE 45 6.124 -4.531 1.375 375 H VAL 46 H VAL 46 4.931 2.609 -2.506 376 HA VAL 46 HA VAL 46 6.771 3.977 -4.377 377 HB VAL 46 HB VAL 46 3.747 4.086 -4.091 378 1HG1 VAL 46 1HG1 VAL 46 5.627 5.438 -6.080 379 2HG1 VAL 46 2HG1 VAL 46 3.857 5.413 -6.209 380 3HG1 VAL 46 3HG1 VAL 46 4.618 6.245 -4.856 381 1HG2 VAL 46 2HG2 VAL 46 5.480 2.849 -6.269 382 2HG2 VAL 46 3HG2 VAL 46 4.459 1.969 -5.107 383 3HG2 VAL 46 1HG2 VAL 46 3.713 3.014 -6.313 384 H ASP 47 H ASP 47 7.889 5.450 -3.322 385 HA ASP 47 HA ASP 47 7.260 6.840 -0.957 386 1HB ASP 47 1HB ASP 47 9.474 6.301 -1.896 387 2HB ASP 47 2HB ASP 47 9.252 7.497 -3.147 388 H ILE 48 H ILE 48 5.496 8.155 -0.810 389 HA ILE 48 HA ILE 48 4.523 9.838 -2.908 390 HB ILE 48 HB ILE 48 3.226 11.007 -1.230 391 1HG1 ILE 48 1HG1 ILE 48 4.435 9.335 0.985 392 2HG1 ILE 48 2HG1 ILE 48 4.877 11.000 0.667 393 1HG2 ILE 48 3HG2 ILE 48 2.569 8.726 -2.167 394 2HG2 ILE 48 1HG2 ILE 48 3.207 7.986 -0.690 395 3HG2 ILE 48 2HG2 ILE 48 1.817 9.087 -0.602 396 1HD1 ILE 48 3HD1 ILE 48 2.411 11.598 0.926 397 2HD1 ILE 48 1HD1 ILE 48 2.155 9.941 1.511 398 3HD1 ILE 48 2HD1 ILE 48 3.229 11.034 2.395 399 H THR 49 H THR 49 7.331 10.289 -0.847 400 HA THR 49 HA THR 49 7.239 13.185 -1.453 401 HB THR 49 HB THR 49 7.290 12.501 0.901 402 HG1 THR 49 HG1 THR 49 9.582 13.970 0.255 403 1HG2 THR 49 2HG2 THR 49 10.079 11.494 0.291 404 2HG2 THR 49 3HG2 THR 49 9.592 12.075 1.900 405 3HG2 THR 49 1HG2 THR 49 8.746 10.716 1.177 406 H ALA 50 H ALA 50 8.305 10.462 -2.912 407 HA ALA 50 HA ALA 50 10.890 10.560 -3.644 408 1HB ALA 50 3HB ALA 50 8.429 10.188 -5.396 409 2HB ALA 50 1HB ALA 50 10.080 9.898 -5.980 410 3HB ALA 50 2HB ALA 50 9.442 8.943 -4.652 411 H THR 51 H THR 51 8.511 12.287 -5.534 412 HA THR 51 HA THR 51 9.831 14.790 -5.453 413 HB THR 51 HB THR 51 11.308 13.565 -7.047 414 HG1 THR 51 HG1 THR 51 11.530 15.500 -8.191 415 1HG2 THR 51 3HG2 THR 51 9.404 12.676 -8.339 416 2HG2 THR 51 1HG2 THR 51 9.039 14.353 -8.866 417 3HG2 THR 51 2HG2 THR 51 10.605 13.599 -9.298 418 H ASN 52 H ASN 52 7.209 12.742 -6.376 419 HA ASN 52 HA ASN 52 5.724 14.171 -8.101 420 1HB ASN 52 1HB ASN 52 5.047 11.968 -7.334 421 2HB ASN 52 2HB ASN 52 4.657 12.581 -5.718 422 1HD2 ASN 52 2HD2 ASN 52 1.539 14.069 -6.805 423 2HD2 ASN 52 1HD2 ASN 52 2.595 13.833 -5.436 424 H HIS 53 H HIS 53 5.501 14.527 -4.592 425 HA HIS 53 HA HIS 53 4.805 16.682 -3.523 426 1HB HIS 53 1HB HIS 53 2.831 16.684 -5.793 427 2HB HIS 53 2HB HIS 53 2.221 16.834 -4.201 428 HD1 HIS 53 1HD HIS 53 3.090 18.822 -2.599 429 HD2 HIS 53 2HD HIS 53 3.985 19.007 -6.724 430 HE1 HIS 53 1HE HIS 53 3.456 21.265 -3.133 431 H THR 54 H THR 54 4.731 15.547 -1.736 432 HA THR 54 HA THR 54 3.193 13.168 -1.332 433 HB THR 54 HB THR 54 4.779 13.089 0.161 434 HG1 THR 54 HG1 THR 54 4.219 14.025 2.248 435 1HG2 THR 54 1HG2 THR 54 5.989 15.011 -0.512 436 2HG2 THR 54 2HG2 THR 54 4.913 16.054 0.475 437 3HG2 THR 54 3HG2 THR 54 5.988 14.849 1.230 438 H ASN 55 H ASN 55 2.877 16.368 0.046 439 HA ASN 55 HA ASN 55 0.486 15.813 1.274 440 1HB ASN 55 1HB ASN 55 1.906 17.870 1.690 441 2HB ASN 55 2HB ASN 55 0.879 18.672 0.480 442 1HD2 ASN 55 2HD2 ASN 55 -1.837 18.973 2.807 443 2HD2 ASN 55 1HD2 ASN 55 -1.289 19.319 1.194 444 H GLU 56 H GLU 56 0.766 17.019 -2.149 445 HA GLU 56 HA GLU 56 -1.947 17.404 -2.662 446 1HB GLU 56 1HB GLU 56 0.444 17.769 -3.799 447 2HB GLU 56 2HB GLU 56 0.052 16.260 -4.638 448 1HG GLU 56 1HG GLU 56 -1.577 18.811 -4.510 449 2HG GLU 56 2HG GLU 56 -0.333 18.446 -5.704 450 H ILE 57 H ILE 57 0.140 14.459 -2.876 451 HA ILE 57 HA ILE 57 -1.919 12.661 -3.752 452 HB ILE 57 HB ILE 57 0.836 12.401 -2.509 453 1HG1 ILE 57 1HG1 ILE 57 -0.400 11.131 -4.970 454 2HG1 ILE 57 2HG1 ILE 57 0.373 12.709 -4.974 455 1HG2 ILE 57 3HG2 ILE 57 -1.180 10.129 -2.667 456 2HG2 ILE 57 1HG2 ILE 57 0.566 9.876 -2.553 457 3HG2 ILE 57 2HG2 ILE 57 -0.265 10.697 -1.251 458 1HD1 ILE 57 1HD1 ILE 57 2.512 11.665 -4.196 459 2HD1 ILE 57 2HD1 ILE 57 1.761 10.061 -4.335 460 3HD1 ILE 57 3HD1 ILE 57 1.958 11.059 -5.770 461 H GLN 58 H GLN 58 -0.905 13.874 -0.577 462 HA GLN 58 HA GLN 58 -2.281 11.895 0.990 463 1HB GLN 58 1HB GLN 58 -1.100 14.662 1.470 464 2HB GLN 58 2HB GLN 58 -2.104 13.968 2.688 465 1HG GLN 58 1HG GLN 58 0.458 12.713 1.713 466 2HG GLN 58 2HG GLN 58 0.256 13.632 3.189 467 1HE2 GLN 58 2HE2 GLN 58 -1.118 9.776 3.043 468 2HE2 GLN 58 1HE2 GLN 58 -0.425 10.519 1.599 469 H ASP 59 H ASP 59 -3.082 15.286 0.024 470 HA ASP 59 HA ASP 59 -5.671 15.600 1.048 471 1HB ASP 59 1HB ASP 59 -4.257 17.255 -0.286 472 2HB ASP 59 2HB ASP 59 -4.708 16.448 -1.741 473 H TYR 60 H TYR 60 -4.684 14.540 -2.090 474 HA TYR 60 HA TYR 60 -7.122 13.745 -3.159 475 1HB TYR 60 1HB TYR 60 -4.926 13.998 -4.365 476 2HB TYR 60 2HB TYR 60 -4.463 12.404 -3.782 477 HD1 TYR 60 2HD TYR 60 -5.989 10.379 -4.450 478 HD2 TYR 60 1HD TYR 60 -6.220 14.272 -6.329 479 HE1 TYR 60 2HE TYR 60 -7.140 9.396 -6.429 480 HE2 TYR 60 1HE TYR 60 -7.457 13.299 -8.198 481 HH TYR 60 HH TYR 60 -8.770 11.345 -8.795 482 H LEU 61 H LEU 61 -4.860 11.680 -1.253 483 HA LEU 61 HA LEU 61 -6.374 9.260 -1.469 484 1HB LEU 61 1HB LEU 61 -4.400 10.282 0.585 485 2HB LEU 61 2HB LEU 61 -5.188 8.726 0.764 486 HG LEU 61 HG LEU 61 -3.665 9.376 -1.780 487 1HD1 LEU 61 3HD1 LEU 61 -2.562 8.411 0.890 488 2HD1 LEU 61 1HD1 LEU 61 -1.708 8.211 -0.671 489 3HD1 LEU 61 2HD1 LEU 61 -2.084 9.825 -0.044 490 1HD2 LEU 61 1HD2 LEU 61 -4.428 6.800 -0.349 491 2HD2 LEU 61 2HD2 LEU 61 -5.102 7.428 -1.853 492 3HD2 LEU 61 3HD2 LEU 61 -3.412 6.905 -1.814 493 H GLN 62 H GLN 62 -6.470 11.903 0.956 494 HA GLN 62 HA GLN 62 -8.365 10.683 2.669 495 1HB GLN 62 1HB GLN 62 -7.005 13.070 2.800 496 2HB GLN 62 2HB GLN 62 -8.581 13.644 2.291 497 1HG GLN 62 1HG GLN 62 -9.550 12.179 4.203 498 2HG GLN 62 2HG GLN 62 -7.890 12.071 4.792 499 1HE2 GLN 62 2HE2 GLN 62 -10.081 15.414 5.514 500 2HE2 GLN 62 1HE2 GLN 62 -10.758 13.989 4.732 501 H GLN 63 H GLN 63 -8.817 12.487 -0.349 502 HA GLN 63 HA GLN 63 -11.721 12.380 -0.166 503 1HB GLN 63 1HB GLN 63 -9.914 13.916 -1.620 504 2HB GLN 63 2HB GLN 63 -10.444 12.745 -2.824 505 1HG GLN 63 1HG GLN 63 -11.910 14.626 -2.966 506 2HG GLN 63 2HG GLN 63 -12.827 13.312 -2.228 507 1HE2 GLN 63 2HE2 GLN 63 -13.536 16.469 -0.374 508 2HE2 GLN 63 1HE2 GLN 63 -13.904 15.711 -1.920 509 H LEU 64 H LEU 64 -9.188 10.623 -1.927 510 HA LEU 64 HA LEU 64 -10.885 9.376 -3.733 511 1HB LEU 64 1HB LEU 64 -8.628 9.618 -4.367 512 2HB LEU 64 2HB LEU 64 -8.054 8.928 -2.861 513 HG LEU 64 HG LEU 64 -8.960 6.641 -3.657 514 1HD1 LEU 64 1HD1 LEU 64 -9.002 8.230 -6.270 515 2HD1 LEU 64 2HD1 LEU 64 -8.994 6.457 -6.163 516 3HD1 LEU 64 3HD1 LEU 64 -10.344 7.374 -5.505 517 1HD2 LEU 64 2HD2 LEU 64 -6.570 7.910 -5.032 518 2HD2 LEU 64 3HD2 LEU 64 -6.609 7.087 -3.471 519 3HD2 LEU 64 1HD2 LEU 64 -6.939 6.177 -4.943 520 H THR 65 H THR 65 -9.378 8.077 -0.736 521 HA THR 65 HA THR 65 -11.119 5.665 -0.949 522 HB THR 65 HB THR 65 -9.586 4.476 0.349 523 HG1 THR 65 HG1 THR 65 -9.052 5.814 1.949 524 1HG2 THR 65 2HG2 THR 65 -8.691 4.861 -1.945 525 2HG2 THR 65 3HG2 THR 65 -7.784 6.276 -1.337 526 3HG2 THR 65 1HG2 THR 65 -7.408 4.665 -0.740 527 H GLY 66 H GLY 66 -10.047 8.301 1.223 528 1HA GLY 66 1HA GLY 66 -12.107 9.330 2.388 529 2HA GLY 66 2HA GLY 66 -12.315 7.735 3.079 530 H ALA 67 H ALA 67 -9.056 7.733 3.003 531 HA ALA 67 HA ALA 67 -8.526 9.701 5.101 532 1HB ALA 67 1HB ALA 67 -8.085 6.712 5.508 533 2HB ALA 67 2HB ALA 67 -7.440 7.992 6.553 534 3HB ALA 67 3HB ALA 67 -9.193 7.751 6.434 535 H ARG 68 H ARG 68 -6.193 9.884 5.458 536 HA ARG 68 HA ARG 68 -4.796 9.281 2.883 537 1HB ARG 68 1HB ARG 68 -3.764 11.361 2.964 538 2HB ARG 68 2HB ARG 68 -5.499 11.583 3.193 539 1HG ARG 68 1HG ARG 68 -4.958 11.822 5.719 540 2HG ARG 68 2HG ARG 68 -3.264 11.917 5.225 541 1HD ARG 68 1HD ARG 68 -4.208 13.703 3.481 542 2HD ARG 68 2HD ARG 68 -5.552 13.803 4.596 543 HE ARG 68 HE ARG 68 -3.057 15.082 4.786 544 1HH1 ARG 68 2HH2 ARG 68 -5.184 13.380 7.175 545 2HH1 ARG 68 1HH2 ARG 68 -4.959 14.683 8.297 546 1HH2 ARG 68 2HH1 ARG 68 -3.035 16.710 6.240 547 2HH2 ARG 68 1HH1 ARG 68 -3.692 16.492 7.852 548 H THR 69 H THR 69 -4.435 8.911 6.411 549 HA THR 69 HA THR 69 -1.688 9.553 6.386 550 HB THR 69 HB THR 69 -1.794 8.284 8.626 551 HG1 THR 69 HG1 THR 69 -3.518 7.115 8.890 552 1HG2 THR 69 2HG2 THR 69 -2.184 10.766 8.379 553 2HG2 THR 69 3HG2 THR 69 -3.909 10.444 8.125 554 3HG2 THR 69 1HG2 THR 69 -3.143 10.050 9.674 555 H VAL 70 H VAL 70 0.074 8.370 6.075 556 HA VAL 70 HA VAL 70 -0.294 5.984 4.456 557 HB VAL 70 HB VAL 70 2.392 6.457 4.340 558 1HG1 VAL 70 1HG1 VAL 70 0.857 6.248 2.450 559 2HG1 VAL 70 2HG1 VAL 70 0.243 7.889 2.735 560 3HG1 VAL 70 3HG1 VAL 70 1.933 7.623 2.232 561 1HG2 VAL 70 3HG2 VAL 70 2.353 8.480 5.784 562 2HG2 VAL 70 1HG2 VAL 70 2.828 8.848 4.125 563 3HG2 VAL 70 2HG2 VAL 70 1.200 9.257 4.665 564 HA PRO 71 HA PRO 71 1.840 4.283 3.838 565 1HB PRO 71 1HB PRO 71 1.465 1.563 4.013 566 2HB PRO 71 2HB PRO 71 2.958 2.377 4.550 567 1HG PRO 71 1HG PRO 71 0.588 1.524 6.239 568 2HG PRO 71 2HG PRO 71 2.333 1.289 6.578 569 1HD PRO 71 1HD PRO 71 0.936 3.310 7.700 570 2HD PRO 71 2HD PRO 71 2.638 3.518 7.207 571 H ARG 72 H ARG 72 0.418 3.456 2.077 572 HA ARG 72 HA ARG 72 -2.398 2.846 2.899 573 1HB ARG 72 1HB ARG 72 -1.683 4.290 0.312 574 2HB ARG 72 2HB ARG 72 -3.281 3.880 0.914 575 1HG ARG 72 1HG ARG 72 -1.377 5.946 2.059 576 2HG ARG 72 2HG ARG 72 -2.796 6.253 1.077 577 1HD ARG 72 1HD ARG 72 -2.864 4.962 3.813 578 2HD ARG 72 2HD ARG 72 -3.114 6.681 3.487 579 HE ARG 72 HE ARG 72 -4.979 5.421 1.903 580 1HH1 ARG 72 2HH2 ARG 72 -4.209 5.514 5.383 581 2HH1 ARG 72 1HH2 ARG 72 -5.845 5.177 5.886 582 1HH2 ARG 72 2HH1 ARG 72 -7.144 5.193 2.556 583 2HH2 ARG 72 1HH1 ARG 72 -7.502 4.724 4.178 584 H VAL 73 H VAL 73 -2.381 0.665 2.654 585 HA VAL 73 HA VAL 73 -0.832 -0.534 0.427 586 HB VAL 73 HB VAL 73 -2.458 -1.680 2.718 587 1HG1 VAL 73 1HG1 VAL 73 -1.095 -3.123 0.395 588 2HG1 VAL 73 2HG1 VAL 73 -1.742 -3.926 1.846 589 3HG1 VAL 73 3HG1 VAL 73 -2.831 -3.108 0.736 590 1HG2 VAL 73 2HG2 VAL 73 0.492 -1.909 2.079 591 2HG2 VAL 73 3HG2 VAL 73 -0.235 -0.952 3.398 592 3HG2 VAL 73 1HG2 VAL 73 -0.349 -2.712 3.394 593 H PHE 74 H PHE 74 -1.732 -0.847 -1.519 594 HA PHE 74 HA PHE 74 -4.669 -1.048 -1.782 595 1HB PHE 74 1HB PHE 74 -2.622 0.100 -3.709 596 2HB PHE 74 2HB PHE 74 -4.200 -0.469 -4.195 597 HD1 PHE 74 1HD PHE 74 -2.619 1.966 -1.785 598 HD2 PHE 74 2HD PHE 74 -5.983 1.035 -4.315 599 HE1 PHE 74 1HE PHE 74 -3.562 4.242 -1.406 600 HE2 PHE 74 2HE PHE 74 -6.883 3.304 -3.960 601 HZ PHE 74 HZ PHE 74 -5.679 4.914 -2.505 602 H ILE 75 H ILE 75 -4.915 -3.245 -1.707 603 HA ILE 75 HA ILE 75 -3.049 -5.012 -3.224 604 HB ILE 75 HB ILE 75 -4.857 -5.443 -0.906 605 1HG1 ILE 75 1HG1 ILE 75 -3.348 -7.541 -0.703 606 2HG1 ILE 75 2HG1 ILE 75 -2.395 -6.806 -2.002 607 1HG2 ILE 75 3HG2 ILE 75 -4.740 -7.422 -3.235 608 2HG2 ILE 75 1HG2 ILE 75 -5.253 -7.868 -1.621 609 3HG2 ILE 75 2HG2 ILE 75 -6.207 -6.701 -2.518 610 1HD1 ILE 75 3HD1 ILE 75 -2.069 -4.871 -0.533 611 2HD1 ILE 75 1HD1 ILE 75 -2.924 -5.732 0.779 612 3HD1 ILE 75 2HD1 ILE 75 -1.397 -6.367 0.137 613 H GLY 76 H GLY 76 -3.654 -5.243 -5.325 614 1HA GLY 76 1HA GLY 76 -4.878 -5.100 -7.257 615 2HA GLY 76 2HA GLY 76 -6.043 -6.057 -6.349 616 H LYS 77 H LYS 77 -5.018 -2.696 -6.727 617 HA LYS 77 HA LYS 77 -5.931 -0.732 -6.543 618 1HB LYS 77 1HB LYS 77 -7.220 -2.057 -8.671 619 2HB LYS 77 2HB LYS 77 -8.524 -1.255 -7.788 620 1HG LYS 77 1HG LYS 77 -6.999 0.829 -7.772 621 2HG LYS 77 2HG LYS 77 -5.979 -0.036 -8.931 622 1HD LYS 77 1HD LYS 77 -7.879 -0.236 -10.490 623 2HD LYS 77 2HD LYS 77 -8.932 0.631 -9.338 624 1HE LYS 77 1HE LYS 77 -7.429 2.598 -9.424 625 2HE LYS 77 2HE LYS 77 -6.330 1.716 -10.503 626 1HZ LYS 77 1HZ LYS 77 -8.197 1.593 -12.089 627 2HZ LYS 77 2HZ LYS 77 -9.062 2.619 -11.112 628 3HZ LYS 77 3HZ LYS 77 -7.649 3.122 -11.802 629 H ASP 78 H ASP 78 -7.352 -2.992 -4.588 630 HA ASP 78 HA ASP 78 -9.316 -1.077 -3.455 631 1HB ASP 78 1HB ASP 78 -8.882 -4.024 -3.284 632 2HB ASP 78 2HB ASP 78 -9.309 -3.238 -1.773 633 H CYS 79 H CYS 79 -8.548 0.402 -2.130 634 HA CYS 79 HA CYS 79 -6.078 0.201 -0.666 635 1HB CYS 79 1HB CYS 79 -7.332 2.319 -1.289 636 2HB CYS 79 2HB CYS 79 -8.515 1.929 -0.027 637 HG CYS 79 HG CYS 79 -7.121 2.212 1.946 638 H ILE 80 H ILE 80 -5.775 -1.334 1.042 639 HA ILE 80 HA ILE 80 -8.138 -2.339 2.449 640 HB ILE 80 HB ILE 80 -6.742 -3.920 3.330 641 1HG1 ILE 80 1HG1 ILE 80 -4.135 -3.731 2.695 642 2HG1 ILE 80 2HG1 ILE 80 -4.528 -2.007 2.804 643 1HG2 ILE 80 2HG2 ILE 80 -7.176 -4.123 0.864 644 2HG2 ILE 80 3HG2 ILE 80 -5.545 -3.497 0.569 645 3HG2 ILE 80 1HG2 ILE 80 -5.758 -5.021 1.452 646 1HD1 ILE 80 1HD1 ILE 80 -5.466 -2.517 5.139 647 2HD1 ILE 80 2HD1 ILE 80 -4.824 -4.151 4.942 648 3HD1 ILE 80 3HD1 ILE 80 -3.730 -2.741 4.946 649 H GLY 81 H GLY 81 -5.818 0.205 2.686 650 1HA GLY 81 1HA GLY 81 -6.653 2.070 4.057 651 2HA GLY 81 2HA GLY 81 -6.858 0.915 5.386 652 H GLY 82 H GLY 82 -5.350 1.664 6.761 653 1HA GLY 82 1HA GLY 82 -2.601 2.143 5.740 654 2HA GLY 82 2HA GLY 82 -3.316 3.028 7.097 655 H CYS 83 H CYS 83 -1.787 2.396 8.636 656 HA CYS 83 HA CYS 83 -0.498 -0.154 8.541 657 1HB CYS 83 1HB CYS 83 0.508 0.783 10.719 658 2HB CYS 83 2HB CYS 83 0.790 1.681 9.221 659 HG CYS 83 HG CYS 83 0.405 3.609 10.818 660 H SER 84 H SER 84 -3.176 1.292 10.470 661 HA SER 84 HA SER 84 -3.067 -0.897 12.292 662 1HB SER 84 1HB SER 84 -5.346 0.144 13.075 663 2HB SER 84 2HB SER 84 -3.822 0.977 13.391 664 HG SER 84 HG SER 84 -5.887 1.982 12.209 665 H ASP 85 H ASP 85 -4.802 -0.201 9.346 666 HA ASP 85 HA ASP 85 -6.788 -2.311 9.550 667 1HB ASP 85 1HB ASP 85 -5.553 -0.945 7.107 668 2HB ASP 85 2HB ASP 85 -6.923 -2.056 7.090 669 H LEU 86 H LEU 86 -3.648 -1.909 7.881 670 HA LEU 86 HA LEU 86 -3.368 -4.518 6.943 671 1HB LEU 86 1HB LEU 86 -1.954 -2.458 6.386 672 2HB LEU 86 2HB LEU 86 -1.124 -2.710 7.921 673 HG LEU 86 HG LEU 86 -0.475 -5.031 7.100 674 1HD1 LEU 86 3HD1 LEU 86 -1.727 -4.004 4.517 675 2HD1 LEU 86 1HD1 LEU 86 -0.562 -5.348 4.587 676 3HD1 LEU 86 2HD1 LEU 86 -2.121 -5.480 5.404 677 1HD2 LEU 86 2HD2 LEU 86 0.416 -2.605 5.506 678 2HD2 LEU 86 3HD2 LEU 86 1.057 -3.171 7.058 679 3HD2 LEU 86 1HD2 LEU 86 1.294 -4.151 5.607 680 H VAL 87 H VAL 87 -2.653 -3.259 10.275 681 HA VAL 87 HA VAL 87 -1.304 -5.577 11.148 682 HB VAL 87 HB VAL 87 -2.660 -3.176 12.345 683 1HG1 VAL 87 3HG1 VAL 87 -1.868 -5.585 14.005 684 2HG1 VAL 87 1HG1 VAL 87 -2.196 -3.948 14.628 685 3HG1 VAL 87 2HG1 VAL 87 -3.491 -4.867 13.857 686 1HG2 VAL 87 2HG2 VAL 87 -0.241 -3.296 11.580 687 2HG2 VAL 87 3HG2 VAL 87 -0.490 -2.766 13.257 688 3HG2 VAL 87 1HG2 VAL 87 0.056 -4.422 12.904 689 H SER 88 H SER 88 -4.878 -4.731 11.130 690 HA SER 88 HA SER 88 -5.715 -7.044 12.584 691 1HB SER 88 1HB SER 88 -6.998 -5.065 10.729 692 2HB SER 88 2HB SER 88 -7.665 -6.682 10.622 693 HG SER 88 HG SER 88 -8.476 -5.067 12.291 694 H LEU 89 H LEU 89 -5.574 -6.333 9.081 695 HA LEU 89 HA LEU 89 -6.363 -8.887 8.221 696 1HB LEU 89 1HB LEU 89 -4.790 -6.671 6.836 697 2HB LEU 89 2HB LEU 89 -5.172 -8.185 6.067 698 HG LEU 89 HG LEU 89 -7.647 -7.723 6.681 699 1HD1 LEU 89 2HD1 LEU 89 -6.552 -4.886 6.636 700 2HD1 LEU 89 3HD1 LEU 89 -8.259 -5.337 6.507 701 3HD1 LEU 89 1HD1 LEU 89 -7.385 -5.683 7.996 702 1HD2 LEU 89 1HD2 LEU 89 -6.157 -6.268 4.458 703 2HD2 LEU 89 2HD2 LEU 89 -6.799 -7.931 4.404 704 3HD2 LEU 89 3HD2 LEU 89 -7.906 -6.560 4.507 705 H GLN 90 H GLN 90 -3.061 -7.665 9.068 706 HA GLN 90 HA GLN 90 -1.687 -10.071 8.278 707 1HB GLN 90 1HB GLN 90 -0.589 -8.014 8.504 708 2HB GLN 90 2HB GLN 90 -0.844 -8.062 10.247 709 1HG GLN 90 1HG GLN 90 1.276 -8.895 9.480 710 2HG GLN 90 2HG GLN 90 0.471 -10.098 10.464 711 1HE2 GLN 90 2HE2 GLN 90 0.403 -12.440 7.660 712 2HE2 GLN 90 1HE2 GLN 90 -0.578 -11.945 9.023 713 H GLN 91 H GLN 91 -3.124 -8.970 11.514 714 HA GLN 91 HA GLN 91 -2.065 -10.909 13.067 715 1HB GLN 91 1HB GLN 91 -3.913 -8.615 13.234 716 2HB GLN 91 2HB GLN 91 -4.655 -9.952 13.996 717 1HG GLN 91 1HG GLN 91 -2.242 -10.230 15.089 718 2HG GLN 91 2HG GLN 91 -2.187 -8.503 14.781 719 1HE2 GLN 91 2HE2 GLN 91 -4.679 -9.869 17.723 720 2HE2 GLN 91 1HE2 GLN 91 -3.768 -11.015 16.755 721 H SER 92 H SER 92 -5.515 -10.671 11.965 722 HA SER 92 HA SER 92 -5.950 -13.472 12.717 723 1HB SER 92 1HB SER 92 -7.655 -11.561 12.891 724 2HB SER 92 2HB SER 92 -7.834 -11.717 11.127 725 HG SER 92 HG SER 92 -8.301 -13.967 11.557 726 H GLY 93 H GLY 93 -4.688 -11.824 9.964 727 1HA GLY 93 1HA GLY 93 -3.658 -12.864 8.220 728 2HA GLY 93 2HA GLY 93 -4.500 -14.368 8.574 729 H GLU 94 H GLU 94 -6.550 -11.367 8.148 730 HA GLU 94 HA GLU 94 -7.757 -12.690 5.892 731 1HB GLU 94 1HB GLU 94 -9.110 -11.313 7.296 732 2HB GLU 94 2HB GLU 94 -8.092 -9.893 7.011 733 1HG GLU 94 1HG GLU 94 -8.774 -9.740 4.711 734 2HG GLU 94 2HG GLU 94 -9.425 -11.388 4.728 735 H LEU 95 H LEU 95 -5.026 -10.596 6.331 736 HA LEU 95 HA LEU 95 -4.743 -9.331 3.864 737 1HB LEU 95 1HB LEU 95 -3.290 -9.100 5.945 738 2HB LEU 95 2HB LEU 95 -2.512 -10.606 5.530 739 HG LEU 95 HG LEU 95 -1.492 -9.588 3.586 740 1HD1 LEU 95 3HD1 LEU 95 -3.283 -7.185 4.171 741 2HD1 LEU 95 1HD1 LEU 95 -1.876 -7.127 3.088 742 3HD1 LEU 95 2HD1 LEU 95 -3.235 -8.169 2.689 743 1HD2 LEU 95 3HD2 LEU 95 -1.419 -7.731 6.017 744 2HD2 LEU 95 1HD2 LEU 95 -0.446 -9.193 5.788 745 3HD2 LEU 95 2HD2 LEU 95 -0.195 -7.796 4.741 746 H LEU 96 H LEU 96 -4.060 -12.679 4.761 747 HA LEU 96 HA LEU 96 -2.537 -13.394 2.442 748 1HB LEU 96 1HB LEU 96 -4.238 -15.031 4.405 749 2HB LEU 96 2HB LEU 96 -3.280 -15.752 3.138 750 HG LEU 96 HG LEU 96 -2.288 -15.893 5.398 751 1HD1 LEU 96 2HD1 LEU 96 -0.947 -16.174 3.412 752 2HD1 LEU 96 3HD1 LEU 96 -0.630 -14.419 3.327 753 3HD1 LEU 96 1HD1 LEU 96 -0.005 -15.398 4.677 754 1HD2 LEU 96 3HD2 LEU 96 -2.828 -13.603 6.240 755 2HD2 LEU 96 1HD2 LEU 96 -1.145 -14.074 6.450 756 3HD2 LEU 96 2HD2 LEU 96 -1.572 -12.944 5.155 757 H THR 97 H THR 97 -6.011 -13.734 3.268 758 HA THR 97 HA THR 97 -6.778 -14.882 0.764 759 HB THR 97 HB THR 97 -8.301 -13.381 2.966 760 HG1 THR 97 HG1 THR 97 -8.457 -15.427 3.862 761 1HG2 THR 97 3HG2 THR 97 -9.688 -13.619 0.889 762 2HG2 THR 97 1HG2 THR 97 -9.414 -15.378 0.937 763 3HG2 THR 97 2HG2 THR 97 -10.289 -14.548 2.254 764 H ARG 98 H ARG 98 -6.840 -11.520 2.037 765 HA ARG 98 HA ARG 98 -7.924 -10.210 -0.189 766 1HB ARG 98 1HB ARG 98 -7.266 -9.247 2.082 767 2HB ARG 98 2HB ARG 98 -5.608 -9.181 1.498 768 1HG ARG 98 1HG ARG 98 -6.027 -7.214 0.520 769 2HG ARG 98 2HG ARG 98 -7.208 -7.978 -0.554 770 1HD ARG 98 1HD ARG 98 -7.753 -6.771 2.149 771 2HD ARG 98 2HD ARG 98 -8.175 -6.096 0.564 772 HE ARG 98 HE ARG 98 -9.527 -8.227 0.213 773 1HH1 ARG 98 2HH2 ARG 98 -9.773 -6.263 3.117 774 2HH1 ARG 98 1HH2 ARG 98 -11.011 -7.272 3.814 775 1HH2 ARG 98 2HH1 ARG 98 -10.919 -9.690 1.269 776 2HH2 ARG 98 1HH1 ARG 98 -11.644 -9.256 2.786 777 H LEU 99 H LEU 99 -4.497 -11.191 0.414 778 HA LEU 99 HA LEU 99 -3.556 -10.164 -2.123 779 1HB LEU 99 1HB LEU 99 -2.511 -12.095 0.004 780 2HB LEU 99 2HB LEU 99 -1.581 -11.773 -1.445 781 HG LEU 99 HG LEU 99 -2.503 -9.471 0.307 782 1HD1 LEU 99 3HD1 LEU 99 -0.052 -11.231 0.602 783 2HD1 LEU 99 1HD1 LEU 99 -0.262 -9.641 1.400 784 3HD1 LEU 99 2HD1 LEU 99 -1.330 -11.001 1.781 785 1HD2 LEU 99 3HD2 LEU 99 -0.151 -9.885 -1.599 786 2HD2 LEU 99 1HD2 LEU 99 -1.627 -8.994 -1.978 787 3HD2 LEU 99 2HD2 LEU 99 -0.531 -8.395 -0.715 788 H LYS 100 H LYS 100 -4.305 -13.516 -1.025 789 HA LYS 100 HA LYS 100 -3.557 -14.719 -3.467 790 1HB LYS 100 1HB LYS 100 -5.379 -15.446 -1.167 791 2HB LYS 100 2HB LYS 100 -5.350 -16.477 -2.587 792 1HG LYS 100 1HG LYS 100 -2.808 -16.527 -2.432 793 2HG LYS 100 2HG LYS 100 -2.916 -15.547 -0.987 794 1HD LYS 100 1HD LYS 100 -2.903 -17.506 0.137 795 2HD LYS 100 2HD LYS 100 -4.611 -17.629 -0.269 796 1HE LYS 100 1HE LYS 100 -2.301 -18.742 -1.935 797 2HE LYS 100 2HE LYS 100 -3.182 -19.678 -0.736 798 1HZ LYS 100 1HZ LYS 100 -4.943 -18.548 -2.712 799 2HZ LYS 100 2HZ LYS 100 -3.765 -19.510 -3.342 800 3HZ LYS 100 3HZ LYS 100 -4.794 -20.072 -2.187 801 H GLN 101 H GLN 101 -6.578 -13.128 -2.656 802 HA GLN 101 HA GLN 101 -8.189 -13.727 -4.830 803 1HB GLN 101 1HB GLN 101 -8.502 -12.065 -2.837 804 2HB GLN 101 2HB GLN 101 -7.677 -10.902 -3.872 805 1HG GLN 101 1HG GLN 101 -9.496 -11.397 -5.627 806 2HG GLN 101 2HG GLN 101 -10.343 -12.251 -4.322 807 1HE2 GLN 101 2HE2 GLN 101 -10.128 -8.138 -4.356 808 2HE2 GLN 101 1HE2 GLN 101 -9.335 -9.107 -5.574 809 H ILE 102 H ILE 102 -5.269 -11.570 -4.809 810 HA ILE 102 HA ILE 102 -5.872 -10.814 -7.589 811 HB ILE 102 HB ILE 102 -4.583 -8.919 -7.237 812 1HG1 ILE 102 1HG1 ILE 102 -3.637 -9.147 -4.474 813 2HG1 ILE 102 2HG1 ILE 102 -3.043 -10.468 -5.426 814 1HG2 ILE 102 1HG2 ILE 102 -6.775 -8.995 -6.036 815 2HG2 ILE 102 2HG2 ILE 102 -5.904 -9.418 -4.543 816 3HG2 ILE 102 3HG2 ILE 102 -5.586 -7.872 -5.325 817 1HD1 ILE 102 2HD1 ILE 102 -2.110 -8.935 -7.087 818 2HD1 ILE 102 3HD1 ILE 102 -2.756 -7.548 -6.165 819 3HD1 ILE 102 1HD1 ILE 102 -1.488 -8.585 -5.469 820 H GLY 103 H GLY 103 -4.356 -13.429 -6.513 821 1HA GLY 103 1HA GLY 103 -2.980 -14.886 -7.663 822 2HA GLY 103 2HA GLY 103 -2.714 -13.665 -8.896 823 H ALA 104 H ALA 104 -2.053 -13.854 -5.415 824 HA ALA 104 HA ALA 104 0.679 -12.637 -5.780 825 1HB ALA 104 3HB ALA 104 -1.351 -12.675 -3.464 826 2HB ALA 104 1HB ALA 104 0.198 -11.841 -3.414 827 3HB ALA 104 2HB ALA 104 -1.080 -11.287 -4.532 828 H LEU 105 H LEU 105 -0.813 -14.771 -3.019 829 HA LEU 105 HA LEU 105 1.912 -15.664 -2.676 830 1HB LEU 105 1HB LEU 105 -0.718 -16.524 -1.469 831 2HB LEU 105 2HB LEU 105 0.767 -17.316 -1.222 832 HG LEU 105 HG LEU 105 1.790 -15.169 -0.332 833 1HD1 LEU 105 1HD1 LEU 105 -1.140 -14.336 -0.138 834 2HD1 LEU 105 2HD1 LEU 105 0.223 -13.547 0.674 835 3HD1 LEU 105 3HD1 LEU 105 0.129 -13.522 -1.088 836 1HD2 LEU 105 1HD2 LEU 105 1.098 -17.101 1.046 837 2HD2 LEU 105 2HD2 LEU 105 0.885 -15.565 1.888 838 3HD2 LEU 105 3HD2 LEU 105 -0.527 -16.415 1.185 839 H GLN 106 H GLN 106 2.451 -17.704 -2.944 840 HA GLN 106 HA GLN 106 1.502 -18.761 -5.548 841 1HB GLN 106 2HB GLN 106 3.887 -18.184 -5.223 842 2HB GLN 106 3HB GLN 106 4.039 -19.463 -4.012 843 1HG GLN 106 2HG GLN 106 3.385 -21.151 -5.728 844 2HG GLN 106 3HG GLN 106 3.141 -19.864 -6.909 845 1HE2 GLN 106 2HE2 GLN 106 6.769 -21.526 -6.651 846 2HE2 GLN 106 1HE2 GLN 106 5.346 -22.180 -5.830 No H/Q in entry = 846 Start of MODEL 12 1 1H ALA 2 3H ALA 2 -0.701 15.085 -9.447 2 2H ALA 2 1H ALA 2 -2.149 15.610 -8.895 3 3H ALA 2 2H ALA 2 -0.847 15.717 -7.918 4 HA ALA 2 HA ALA 2 -0.629 13.307 -7.969 5 1HB ALA 2 1HB ALA 2 -3.301 14.328 -6.925 6 2HB ALA 2 2HB ALA 2 -2.591 12.734 -6.559 7 3HB ALA 2 3HB ALA 2 -1.765 14.201 -6.036 8 H GLN 3 H GLN 3 -4.080 13.054 -8.438 9 HA GLN 3 HA GLN 3 -5.447 12.233 -9.949 10 1HB GLN 3 1HB GLN 3 -4.791 14.600 -10.497 11 2HB GLN 3 2HB GLN 3 -3.821 13.951 -11.825 12 1HG GLN 3 1HG GLN 3 -5.820 13.088 -12.910 13 2HG GLN 3 2HG GLN 3 -6.809 13.436 -11.479 14 1HE2 GLN 3 2HE2 GLN 3 -7.676 16.585 -12.855 15 2HE2 GLN 3 1HE2 GLN 3 -8.149 15.133 -11.987 16 H GLU 4 H GLU 4 -2.283 11.259 -10.613 17 HA GLU 4 HA GLU 4 -2.994 9.061 -12.403 18 1HB GLU 4 1HB GLU 4 -2.731 11.119 -13.793 19 2HB GLU 4 2HB GLU 4 -1.105 11.339 -13.123 20 1HG GLU 4 1HG GLU 4 -0.414 9.158 -14.070 21 2HG GLU 4 2HG GLU 4 -2.057 8.870 -14.654 22 H PHE 5 H PHE 5 -0.436 10.950 -10.611 23 HA PHE 5 HA PHE 5 1.585 9.100 -10.538 24 1HB PHE 5 1HB PHE 5 1.642 11.320 -9.457 25 2HB PHE 5 2HB PHE 5 0.554 10.760 -8.196 26 HD1 PHE 5 1HD PHE 5 1.354 9.213 -6.414 27 HD2 PHE 5 2HD PHE 5 4.002 10.618 -9.520 28 HE1 PHE 5 1HE PHE 5 3.307 8.451 -5.093 29 HE2 PHE 5 2HE PHE 5 5.947 9.814 -8.197 30 HZ PHE 5 HZ PHE 5 5.605 8.760 -5.976 31 H VAL 6 H VAL 6 -1.248 9.058 -8.361 32 HA VAL 6 HA VAL 6 -0.532 6.491 -7.201 33 HB VAL 6 HB VAL 6 -2.852 8.410 -7.003 34 1HG1 VAL 6 1HG1 VAL 6 -2.847 5.642 -5.771 35 2HG1 VAL 6 2HG1 VAL 6 -3.965 6.954 -5.360 36 3HG1 VAL 6 3HG1 VAL 6 -3.996 6.250 -6.981 37 1HG2 VAL 6 1HG2 VAL 6 -0.746 8.746 -5.623 38 2HG2 VAL 6 2HG2 VAL 6 -2.188 8.499 -4.634 39 3HG2 VAL 6 3HG2 VAL 6 -1.042 7.186 -4.856 40 H ASN 7 H ASN 7 -2.860 7.571 -9.739 41 HA ASN 7 HA ASN 7 -4.115 5.013 -9.868 42 1HB ASN 7 1HB ASN 7 -4.127 7.272 -11.912 43 2HB ASN 7 2HB ASN 7 -5.185 5.869 -11.955 44 1HD2 ASN 7 2HD2 ASN 7 -6.658 8.961 -10.081 45 2HD2 ASN 7 1HD2 ASN 7 -5.600 9.001 -11.441 46 H CYS 8 H CYS 8 -1.368 6.346 -11.700 47 HA CYS 8 HA CYS 8 -1.395 4.201 -13.694 48 1HB CYS 8 1HB CYS 8 -0.202 6.801 -13.487 49 2HB CYS 8 2HB CYS 8 1.136 5.653 -13.473 50 HG CYS 8 HG CYS 8 0.375 4.313 -15.593 51 H LYS 9 H LYS 9 -0.209 4.617 -10.442 52 HA LYS 9 HA LYS 9 1.809 2.509 -10.730 53 1HB LYS 9 1HB LYS 9 0.739 4.133 -8.417 54 2HB LYS 9 2HB LYS 9 1.604 2.628 -8.110 55 1HG LYS 9 1HG LYS 9 2.747 4.838 -9.871 56 2HG LYS 9 2HG LYS 9 2.996 4.750 -8.130 57 1HD LYS 9 1HD LYS 9 3.889 2.361 -8.486 58 2HD LYS 9 2HD LYS 9 3.910 2.711 -10.205 59 1HE LYS 9 1HE LYS 9 5.353 4.358 -8.083 60 2HE LYS 9 2HE LYS 9 6.085 3.043 -9.006 61 1HZ LYS 9 2HZ LYS 9 5.684 4.291 -11.029 62 2HZ LYS 9 3HZ LYS 9 5.046 5.550 -10.158 63 3HZ LYS 9 1HZ LYS 9 6.604 5.133 -9.973 64 H ILE 10 H ILE 10 -1.471 2.709 -9.067 65 HA ILE 10 HA ILE 10 -1.238 -0.117 -8.581 66 HB ILE 10 HB ILE 10 -3.887 1.288 -8.568 67 1HG1 ILE 10 1HG1 ILE 10 -2.549 1.467 -5.935 68 2HG1 ILE 10 2HG1 ILE 10 -1.810 2.521 -7.113 69 1HG2 ILE 10 2HG2 ILE 10 -2.569 -0.869 -6.860 70 2HG2 ILE 10 3HG2 ILE 10 -4.148 -0.163 -6.514 71 3HG2 ILE 10 1HG2 ILE 10 -3.905 -1.057 -8.024 72 1HD1 ILE 10 2HD1 ILE 10 -4.808 2.405 -6.648 73 2HD1 ILE 10 3HD1 ILE 10 -3.714 3.592 -5.916 74 3HD1 ILE 10 1HD1 ILE 10 -3.926 3.554 -7.680 75 H GLN 11 H GLN 11 -2.280 -1.834 -9.586 76 HA GLN 11 HA GLN 11 -4.063 -1.427 -11.857 77 1HB GLN 11 1HB GLN 11 -2.862 -3.184 -13.159 78 2HB GLN 11 2HB GLN 11 -1.936 -1.709 -12.951 79 1HG GLN 11 1HG GLN 11 -0.703 -2.812 -11.038 80 2HG GLN 11 2HG GLN 11 -1.492 -4.332 -11.474 81 1HE2 GLN 11 2HE2 GLN 11 0.514 -4.401 -14.628 82 2HE2 GLN 11 1HE2 GLN 11 -1.204 -4.326 -14.372 83 HA PRO 12 HA PRO 12 -5.967 -4.656 -9.414 84 1HB PRO 12 1HB PRO 12 -7.737 -5.845 -11.072 85 2HB PRO 12 2HB PRO 12 -7.853 -4.128 -10.594 86 1HG PRO 12 1HG PRO 12 -6.662 -5.261 -13.150 87 2HG PRO 12 2HG PRO 12 -7.846 -3.926 -12.979 88 1HD PRO 12 1HD PRO 12 -5.124 -3.541 -13.221 89 2HD PRO 12 2HD PRO 12 -6.182 -2.415 -12.316 90 H GLY 13 H GLY 13 -3.595 -5.418 -9.568 91 1HA GLY 13 1HA GLY 13 -3.322 -8.167 -9.319 92 2HA GLY 13 2HA GLY 13 -3.008 -7.838 -11.006 93 H LYS 14 H LYS 14 -2.251 -5.790 -8.136 94 HA LYS 14 HA LYS 14 0.536 -6.527 -8.075 95 1HB LYS 14 1HB LYS 14 -0.337 -3.899 -9.189 96 2HB LYS 14 2HB LYS 14 0.598 -3.721 -7.742 97 1HG LYS 14 1HG LYS 14 2.262 -5.427 -8.958 98 2HG LYS 14 2HG LYS 14 1.501 -4.749 -10.399 99 1HD LYS 14 1HD LYS 14 2.037 -2.423 -9.440 100 2HD LYS 14 2HD LYS 14 2.859 -3.233 -8.107 101 1HE LYS 14 1HE LYS 14 4.602 -2.693 -9.519 102 2HE LYS 14 2HE LYS 14 4.300 -4.406 -9.867 103 1HZ LYS 14 2HZ LYS 14 2.831 -3.428 -11.751 104 2HZ LYS 14 3HZ LYS 14 3.626 -2.026 -11.467 105 3HZ LYS 14 1HZ LYS 14 4.454 -3.354 -11.966 106 H VAL 15 H VAL 15 1.474 -5.441 -6.006 107 HA VAL 15 HA VAL 15 -0.676 -4.617 -4.146 108 HB VAL 15 HB VAL 15 1.913 -6.038 -3.426 109 1HG1 VAL 15 1HG1 VAL 15 -0.512 -5.049 -1.934 110 2HG1 VAL 15 2HG1 VAL 15 0.687 -6.140 -1.179 111 3HG1 VAL 15 3HG1 VAL 15 1.126 -4.501 -1.692 112 1HG2 VAL 15 2HG2 VAL 15 -0.900 -7.145 -3.681 113 2HG2 VAL 15 3HG2 VAL 15 0.592 -7.731 -4.440 114 3HG2 VAL 15 1HG2 VAL 15 0.375 -7.917 -2.703 115 H VAL 16 H VAL 16 -0.515 -2.387 -4.534 116 HA VAL 16 HA VAL 16 2.221 -1.218 -4.546 117 HB VAL 16 HB VAL 16 -0.486 -0.153 -5.416 118 1HG1 VAL 16 3HG1 VAL 16 2.184 1.292 -5.305 119 2HG1 VAL 16 1HG1 VAL 16 0.720 1.888 -6.128 120 3HG1 VAL 16 2HG1 VAL 16 0.733 1.712 -4.375 121 1HG2 VAL 16 2HG2 VAL 16 2.133 -0.885 -6.817 122 2HG2 VAL 16 3HG2 VAL 16 0.557 -1.655 -7.022 123 3HG2 VAL 16 1HG2 VAL 16 0.817 -0.012 -7.617 124 H VAL 17 H VAL 17 2.859 0.077 -2.821 125 HA VAL 17 HA VAL 17 0.747 0.822 -0.834 126 HB VAL 17 HB VAL 17 3.586 0.174 -0.035 127 1HG1 VAL 17 1HG1 VAL 17 1.002 0.430 1.544 128 2HG1 VAL 17 2HG1 VAL 17 2.588 -0.006 2.221 129 3HG1 VAL 17 3HG1 VAL 17 2.331 1.590 1.508 130 1HG2 VAL 17 3HG2 VAL 17 1.237 -1.755 -0.024 131 2HG2 VAL 17 1HG2 VAL 17 2.764 -1.925 -0.910 132 3HG2 VAL 17 2HG2 VAL 17 2.778 -1.995 0.847 133 H PHE 18 H PHE 18 0.587 3.003 -0.790 134 HA PHE 18 HA PHE 18 2.818 4.653 -1.793 135 1HB PHE 18 1HB PHE 18 0.081 5.437 -0.722 136 2HB PHE 18 2HB PHE 18 1.243 6.558 -1.451 137 HD1 PHE 18 2HD PHE 18 2.076 6.236 -3.785 138 HD2 PHE 18 1HD PHE 18 -1.288 4.063 -2.183 139 HE1 PHE 18 2HE PHE 18 1.387 5.602 -6.089 140 HE2 PHE 18 1HE PHE 18 -1.955 3.418 -4.485 141 HZ PHE 18 HZ PHE 18 -0.622 4.204 -6.433 142 H ILE 19 H ILE 19 4.395 5.330 -0.484 143 HA ILE 19 HA ILE 19 4.157 5.197 2.466 144 HB ILE 19 HB ILE 19 6.401 4.183 2.546 145 1HG1 ILE 19 1HG1 ILE 19 6.458 3.164 -0.229 146 2HG1 ILE 19 2HG1 ILE 19 6.652 4.890 -0.146 147 1HG2 ILE 19 2HG2 ILE 19 4.441 2.730 2.725 148 2HG2 ILE 19 3HG2 ILE 19 4.507 2.420 0.972 149 3HG2 ILE 19 1HG2 ILE 19 5.840 1.904 2.029 150 1HD1 ILE 19 1HD1 ILE 19 8.362 2.926 1.408 151 2HD1 ILE 19 2HD1 ILE 19 8.840 3.812 -0.060 152 3HD1 ILE 19 3HD1 ILE 19 8.520 4.696 1.436 153 H LYS 20 H LYS 20 6.594 6.102 3.229 154 HA LYS 20 HA LYS 20 7.530 8.336 1.577 155 1HB LYS 20 1HB LYS 20 7.552 9.774 3.739 156 2HB LYS 20 2HB LYS 20 6.037 9.611 2.843 157 1HG LYS 20 1HG LYS 20 5.197 8.085 4.538 158 2HG LYS 20 2HG LYS 20 6.807 7.948 5.247 159 1HD LYS 20 1HD LYS 20 5.168 9.477 6.485 160 2HD LYS 20 2HD LYS 20 6.764 10.148 6.123 161 1HE LYS 20 1HE LYS 20 5.833 11.364 4.166 162 2HE LYS 20 2HE LYS 20 4.223 10.708 4.500 163 1HZ LYS 20 3HZ LYS 20 5.805 12.397 6.343 164 2HZ LYS 20 1HZ LYS 20 4.559 12.927 5.402 165 3HZ LYS 20 2HZ LYS 20 4.279 11.867 6.617 166 HA PRO 21 HA PRO 21 11.199 6.616 2.557 167 1HB PRO 21 1HB PRO 21 13.047 8.645 2.827 168 2HB PRO 21 2HB PRO 21 12.148 8.393 1.327 169 1HG PRO 21 1HG PRO 21 11.509 10.310 3.573 170 2HG PRO 21 2HG PRO 21 11.647 10.660 1.815 171 1HD PRO 21 1HD PRO 21 9.263 10.192 2.919 172 2HD PRO 21 2HD PRO 21 9.658 9.490 1.356 173 H THR 22 H THR 22 9.765 8.121 5.189 174 HA THR 22 HA THR 22 11.914 7.464 7.117 175 HB THR 22 HB THR 22 10.779 9.339 8.433 176 HG1 THR 22 HG1 THR 22 9.949 10.671 6.244 177 1HG2 THR 22 2HG2 THR 22 12.968 9.634 7.349 178 2HG2 THR 22 3HG2 THR 22 12.176 10.107 5.836 179 3HG2 THR 22 1HG2 THR 22 12.002 11.115 7.288 180 H CYS 23 H CSN 23 8.671 8.351 7.843 181 HA CYS 23 HA CSN 23 7.304 7.318 9.451 182 1HB CYS 23 2HB CSN 23 6.363 7.733 7.312 183 2HB CYS 23 3HB CSN 23 6.789 6.096 6.788 184 HA PRO 24 HA PRO 24 8.962 3.291 10.745 185 1HB PRO 24 1HB PRO 24 8.014 3.286 13.302 186 2HB PRO 24 2HB PRO 24 9.456 4.223 12.806 187 1HG PRO 24 1HG PRO 24 6.615 5.212 13.144 188 2HG PRO 24 2HG PRO 24 8.125 5.962 13.740 189 1HD PRO 24 1HD PRO 24 6.844 6.703 11.414 190 2HD PRO 24 2HD PRO 24 8.615 6.840 11.599 191 H TYR 25 H TYR 25 5.781 4.497 10.099 192 HA TYR 25 HA TYR 25 4.457 1.928 10.846 193 1HB TYR 25 1HB TYR 25 3.315 4.493 9.664 194 2HB TYR 25 2HB TYR 25 2.420 3.061 10.107 195 HD1 TYR 25 2HD TYR 25 2.336 2.288 12.554 196 HD2 TYR 25 1HD TYR 25 4.035 6.066 11.334 197 HE1 TYR 25 2HE TYR 25 2.206 3.148 14.911 198 HE2 TYR 25 1HE TYR 25 3.898 6.893 13.651 199 HH TYR 25 HH TYR 25 2.987 6.477 15.790 200 H CYS 26 H CYS 26 5.507 3.955 8.031 201 HA CYS 26 HA CYS 26 4.613 2.137 5.983 202 1HB CYS 26 1HB CYS 26 6.979 4.082 6.090 203 2HB CYS 26 2HB CYS 26 6.533 3.123 4.681 204 HG CYS 26 HG CYS 26 4.857 5.437 6.294 205 H ARG 27 H ARG 27 7.789 2.544 7.649 206 HA ARG 27 HA ARG 27 8.971 0.313 6.478 207 1HB ARG 27 1HB ARG 27 10.057 2.190 7.881 208 2HB ARG 27 2HB ARG 27 9.642 1.204 9.297 209 1HG ARG 27 1HG ARG 27 10.812 -0.733 7.999 210 2HG ARG 27 2HG ARG 27 11.468 0.499 6.940 211 1HD ARG 27 1HD ARG 27 11.772 0.737 9.949 212 2HD ARG 27 2HD ARG 27 12.755 -0.420 9.041 213 HE ARG 27 HE ARG 27 12.750 2.317 7.974 214 1HH1 ARG 27 2HH2 ARG 27 14.396 0.103 10.228 215 2HH1 ARG 27 1HH2 ARG 27 15.940 0.864 10.082 216 1HH2 ARG 27 2HH1 ARG 27 14.790 3.285 7.699 217 2HH2 ARG 27 1HH1 ARG 27 16.179 2.677 8.564 218 H ARG 28 H ARG 28 7.099 0.353 9.576 219 HA ARG 28 HA ARG 28 7.254 -2.418 10.141 220 1HB ARG 28 1HB ARG 28 6.158 -0.847 11.654 221 2HB ARG 28 2HB ARG 28 4.928 -0.476 10.492 222 1HG ARG 28 1HG ARG 28 3.614 -2.171 11.210 223 2HG ARG 28 2HG ARG 28 4.813 -3.346 10.793 224 1HD ARG 28 1HD ARG 28 4.998 -1.859 13.435 225 2HD ARG 28 2HD ARG 28 3.997 -3.298 13.207 226 HE ARG 28 HE ARG 28 6.758 -3.677 12.294 227 1HH1 ARG 28 2HH2 ARG 28 4.601 -3.902 15.128 228 2HH1 ARG 28 1HH2 ARG 28 5.588 -5.076 15.926 229 1HH2 ARG 28 2HH1 ARG 28 7.957 -5.197 13.255 230 2HH2 ARG 28 1HH1 ARG 28 7.529 -5.925 14.796 231 H ALA 29 H ALA 29 4.698 -0.705 8.379 232 HA ALA 29 HA ALA 29 3.259 -2.961 7.533 233 1HB ALA 29 3HB ALA 29 2.409 -0.687 7.227 234 2HB ALA 29 1HB ALA 29 3.616 -0.406 5.935 235 3HB ALA 29 2HB ALA 29 2.334 -1.611 5.710 236 H GLN 30 H GLN 30 6.170 -1.576 6.039 237 HA GLN 30 HA GLN 30 6.358 -3.308 3.815 238 1HB GLN 30 1HB GLN 30 8.049 -1.362 5.232 239 2HB GLN 30 2HB GLN 30 9.006 -2.755 4.748 240 1HG GLN 30 1HG GLN 30 8.898 -2.241 2.570 241 2HG GLN 30 2HG GLN 30 7.174 -1.883 2.654 242 1HE2 GLN 30 2HE2 GLN 30 9.766 1.199 2.504 243 2HE2 GLN 30 1HE2 GLN 30 10.170 -0.446 2.010 244 H GLU 31 H GLU 31 7.736 -3.832 7.150 245 HA GLU 31 HA GLU 31 8.801 -6.372 6.168 246 1HB GLU 31 1HB GLU 31 9.685 -6.744 8.306 247 2HB GLU 31 2HB GLU 31 9.755 -4.996 8.146 248 1HG GLU 31 1HG GLU 31 7.429 -5.139 9.439 249 2HG GLU 31 2HG GLU 31 8.021 -6.714 9.921 250 H ILE 32 H ILE 32 5.984 -5.352 7.925 251 HA ILE 32 HA ILE 32 4.784 -7.849 8.537 252 HB ILE 32 HB ILE 32 3.870 -5.025 8.004 253 1HG1 ILE 32 1HG1 ILE 32 3.805 -6.942 10.376 254 2HG1 ILE 32 2HG1 ILE 32 4.808 -5.526 10.184 255 1HG2 ILE 32 2HG2 ILE 32 1.975 -7.337 8.283 256 2HG2 ILE 32 3HG2 ILE 32 1.530 -5.628 8.530 257 3HG2 ILE 32 1HG2 ILE 32 2.093 -6.152 6.958 258 1HD1 ILE 32 1HD1 ILE 32 2.632 -4.147 10.246 259 2HD1 ILE 32 2HD1 ILE 32 1.817 -5.644 10.745 260 3HD1 ILE 32 3HD1 ILE 32 3.094 -4.975 11.756 261 H LEU 33 H LEU 33 4.558 -5.818 5.559 262 HA LEU 33 HA LEU 33 2.775 -7.731 4.391 263 1HB LEU 33 1HB LEU 33 4.085 -5.197 3.405 264 2HB LEU 33 2HB LEU 33 3.715 -6.358 2.178 265 HG LEU 33 HG LEU 33 1.576 -5.276 4.065 266 1HD1 LEU 33 1HD1 LEU 33 2.330 -4.521 1.225 267 2HD1 LEU 33 2HD1 LEU 33 0.856 -4.024 2.060 268 3HD1 LEU 33 3HD1 LEU 33 2.437 -3.503 2.681 269 1HD2 LEU 33 1HD2 LEU 33 1.421 -6.892 1.455 270 2HD2 LEU 33 2HD2 LEU 33 1.071 -7.543 3.053 271 3HD2 LEU 33 3HD2 LEU 33 0.044 -6.269 2.379 272 H SER 34 H SER 34 6.228 -6.741 3.850 273 HA SER 34 HA SER 34 6.617 -8.312 1.570 274 1HB SER 34 1HB SER 34 7.944 -6.319 2.457 275 2HB SER 34 2HB SER 34 8.801 -7.461 3.509 276 HG SER 34 HG SER 34 8.673 -7.303 0.675 277 H GLN 35 H GLN 35 6.718 -9.336 4.938 278 HA GLN 35 HA GLN 35 8.338 -11.711 4.489 279 1HB GLN 35 1HB GLN 35 6.525 -10.786 6.745 280 2HB GLN 35 2HB GLN 35 7.372 -12.333 6.770 281 1HG GLN 35 1HG GLN 35 9.537 -11.283 6.674 282 2HG GLN 35 2HG GLN 35 8.837 -9.684 6.564 283 1HE2 GLN 35 2HE2 GLN 35 7.638 -9.737 10.021 284 2HE2 GLN 35 1HE2 GLN 35 7.360 -9.063 8.388 285 H LEU 36 H LEU 36 5.291 -11.014 3.257 286 HA LEU 36 HA LEU 36 4.311 -13.786 3.545 287 1HB LEU 36 1HB LEU 36 3.239 -11.292 2.188 288 2HB LEU 36 2HB LEU 36 2.507 -12.870 1.997 289 HG LEU 36 HG LEU 36 2.855 -11.438 4.677 290 1HD1 LEU 36 3HD1 LEU 36 1.221 -10.329 3.199 291 2HD1 LEU 36 1HD1 LEU 36 0.365 -11.882 2.994 292 3HD1 LEU 36 2HD1 LEU 36 0.434 -11.095 4.589 293 1HD2 LEU 36 2HD2 LEU 36 1.476 -14.055 3.910 294 2HD2 LEU 36 3HD2 LEU 36 2.802 -13.834 5.075 295 3HD2 LEU 36 1HD2 LEU 36 1.206 -13.207 5.446 296 HA PRO 37 HA PRO 37 6.469 -14.825 -0.186 297 1HB PRO 37 1HB PRO 37 5.355 -17.225 -0.827 298 2HB PRO 37 2HB PRO 37 6.285 -16.980 0.675 299 1HG PRO 37 1HG PRO 37 3.270 -16.892 0.337 300 2HG PRO 37 2HG PRO 37 4.213 -17.800 1.553 301 1HD PRO 37 1HD PRO 37 3.130 -15.358 2.091 302 2HD PRO 37 2HD PRO 37 4.686 -15.880 2.788 303 H ILE 38 H ILE 38 5.077 -12.760 -0.852 304 HA ILE 38 HA ILE 38 2.834 -13.176 -2.680 305 HB ILE 38 HB ILE 38 4.537 -10.900 -1.603 306 1HG1 ILE 38 1HG1 ILE 38 1.511 -11.113 -1.729 307 2HG1 ILE 38 2HG1 ILE 38 2.428 -12.040 -0.531 308 1HG2 ILE 38 2HG2 ILE 38 2.539 -10.506 -3.873 309 2HG2 ILE 38 3HG2 ILE 38 3.206 -9.212 -2.859 310 3HG2 ILE 38 1HG2 ILE 38 4.280 -10.139 -3.891 311 1HD1 ILE 38 2HD1 ILE 38 3.471 -9.817 0.187 312 2HD1 ILE 38 3HD1 ILE 38 2.131 -9.064 -0.734 313 3HD1 ILE 38 1HD1 ILE 38 1.793 -10.144 0.625 314 H LYS 39 H LYS 39 2.902 -13.039 -4.997 315 HA LYS 39 HA LYS 39 4.973 -13.992 -6.308 316 1HB LYS 39 1HB LYS 39 2.584 -12.542 -7.080 317 2HB LYS 39 2HB LYS 39 3.898 -12.370 -8.246 318 1HG LYS 39 1HG LYS 39 3.239 -15.120 -7.172 319 2HG LYS 39 2HG LYS 39 2.169 -14.379 -8.344 320 1HD LYS 39 1HD LYS 39 5.165 -14.868 -8.693 321 2HD LYS 39 2HD LYS 39 3.873 -15.892 -9.331 322 1HE LYS 39 1HE LYS 39 3.016 -13.991 -10.688 323 2HE LYS 39 2HE LYS 39 4.324 -12.968 -10.096 324 1HZ LYS 39 2HZ LYS 39 4.856 -15.450 -11.589 325 2HZ LYS 39 3HZ LYS 39 4.705 -13.977 -12.293 326 3HZ LYS 39 1HZ LYS 39 5.896 -14.257 -11.202 327 H GLN 40 H GLN 40 7.011 -13.234 -6.981 328 HA GLN 40 HA GLN 40 7.813 -10.795 -5.741 329 1HB GLN 40 1HB GLN 40 9.260 -12.878 -6.146 330 2HB GLN 40 2HB GLN 40 9.425 -12.329 -7.817 331 1HG GLN 40 1HG GLN 40 11.346 -11.590 -6.543 332 2HG GLN 40 2HG GLN 40 10.398 -10.180 -6.979 333 1HE2 GLN 40 2HE2 GLN 40 10.949 -11.125 -3.016 334 2HE2 GLN 40 1HE2 GLN 40 11.501 -12.212 -4.275 335 H GLY 41 H GLY 41 8.048 -8.737 -6.565 336 1HA GLY 41 1HA GLY 41 8.241 -7.138 -8.281 337 2HA GLY 41 2HA GLY 41 7.606 -8.282 -9.459 338 H LEU 42 H LEU 42 5.383 -8.909 -7.110 339 HA LEU 42 HA LEU 42 3.497 -7.011 -8.188 340 1HB LEU 42 1HB LEU 42 3.282 -8.886 -5.822 341 2HB LEU 42 2HB LEU 42 2.014 -7.879 -6.469 342 HG LEU 42 HG LEU 42 3.261 -10.305 -7.737 343 1HD1 LEU 42 1HD1 LEU 42 1.382 -10.490 -6.107 344 2HD1 LEU 42 2HD1 LEU 42 0.404 -9.460 -7.176 345 3HD1 LEU 42 3HD1 LEU 42 0.928 -11.053 -7.740 346 1HD2 LEU 42 3HD2 LEU 42 1.471 -8.304 -9.142 347 2HD2 LEU 42 1HD2 LEU 42 3.116 -8.796 -9.614 348 3HD2 LEU 42 2HD2 LEU 42 1.790 -9.957 -9.693 349 H LEU 43 H LEU 43 5.482 -7.262 -5.217 350 HA LEU 43 HA LEU 43 3.836 -5.292 -3.865 351 1HB LEU 43 1HB LEU 43 5.045 -7.429 -2.853 352 2HB LEU 43 2HB LEU 43 6.366 -6.315 -2.687 353 HG LEU 43 HG LEU 43 5.492 -5.879 -0.663 354 1HD1 LEU 43 1HD1 LEU 43 4.880 -3.728 -1.739 355 2HD1 LEU 43 2HD1 LEU 43 3.254 -4.358 -2.039 356 3HD1 LEU 43 3HD1 LEU 43 3.831 -4.158 -0.390 357 1HD2 LEU 43 3HD2 LEU 43 2.882 -7.009 -1.695 358 2HD2 LEU 43 1HD2 LEU 43 4.080 -7.733 -0.608 359 3HD2 LEU 43 2HD2 LEU 43 3.092 -6.383 -0.041 360 H GLU 44 H GLU 44 4.122 -3.156 -4.536 361 HA GLU 44 HA GLU 44 6.933 -2.247 -4.930 362 1HB GLU 44 1HB GLU 44 5.648 -2.576 -7.060 363 2HB GLU 44 2HB GLU 44 4.534 -1.298 -6.525 364 1HG GLU 44 1HG GLU 44 6.478 0.249 -6.266 365 2HG GLU 44 2HG GLU 44 7.571 -1.036 -6.791 366 H PHE 45 H PHE 45 7.457 -0.911 -3.374 367 HA PHE 45 HA PHE 45 5.402 0.594 -1.884 368 1HB PHE 45 1HB PHE 45 8.423 0.595 -1.549 369 2HB PHE 45 2HB PHE 45 7.218 1.102 -0.377 370 HD1 PHE 45 2HD PHE 45 5.347 -0.934 0.038 371 HD2 PHE 45 1HD PHE 45 9.496 -1.406 -0.966 372 HE1 PHE 45 2HE PHE 45 5.314 -3.210 1.011 373 HE2 PHE 45 1HE PHE 45 9.461 -3.700 -0.024 374 HZ PHE 45 HZ PHE 45 7.359 -4.599 0.987 375 H VAL 46 H VAL 46 5.030 2.788 -2.375 376 HA VAL 46 HA VAL 46 6.662 4.033 -4.515 377 HB VAL 46 HB VAL 46 3.652 4.076 -4.065 378 1HG1 VAL 46 3HG1 VAL 46 5.413 5.409 -6.178 379 2HG1 VAL 46 1HG1 VAL 46 3.633 5.392 -6.166 380 3HG1 VAL 46 2HG1 VAL 46 4.506 6.237 -4.899 381 1HG2 VAL 46 1HG2 VAL 46 5.347 2.815 -6.273 382 2HG2 VAL 46 2HG2 VAL 46 4.399 1.950 -5.055 383 3HG2 VAL 46 3HG2 VAL 46 3.567 2.939 -6.256 384 H ASP 47 H ASP 47 7.913 5.312 -3.325 385 HA ASP 47 HA ASP 47 7.197 6.736 -1.011 386 1HB ASP 47 1HB ASP 47 9.471 6.050 -1.926 387 2HB ASP 47 2HB ASP 47 9.372 7.460 -2.995 388 H ILE 48 H ILE 48 5.661 8.287 -0.878 389 HA ILE 48 HA ILE 48 4.782 9.862 -3.123 390 HB ILE 48 HB ILE 48 3.397 11.059 -1.558 391 1HG1 ILE 48 1HG1 ILE 48 4.631 9.543 0.771 392 2HG1 ILE 48 2HG1 ILE 48 5.068 11.172 0.359 393 1HG2 ILE 48 2HG2 ILE 48 2.779 8.759 -2.381 394 2HG2 ILE 48 3HG2 ILE 48 3.378 8.086 -0.858 395 3HG2 ILE 48 1HG2 ILE 48 1.995 9.194 -0.855 396 1HD1 ILE 48 1HD1 ILE 48 2.635 11.824 0.632 397 2HD1 ILE 48 2HD1 ILE 48 2.320 10.180 1.213 398 3HD1 ILE 48 3HD1 ILE 48 3.420 11.237 2.114 399 H THR 49 H THR 49 7.638 10.192 -1.283 400 HA THR 49 HA THR 49 7.770 13.102 -1.737 401 HB THR 49 HB THR 49 9.706 13.129 -0.442 402 HG1 THR 49 HG1 THR 49 9.698 10.290 -0.503 403 1HG2 THR 49 3HG2 THR 49 7.598 12.852 0.895 404 2HG2 THR 49 1HG2 THR 49 7.901 11.105 0.970 405 3HG2 THR 49 2HG2 THR 49 9.039 12.237 1.716 406 H ALA 50 H ALA 50 8.292 10.223 -3.528 407 HA ALA 50 HA ALA 50 10.663 10.753 -4.915 408 1HB ALA 50 3HB ALA 50 9.455 8.618 -5.053 409 2HB ALA 50 1HB ALA 50 8.126 9.414 -5.933 410 3HB ALA 50 2HB ALA 50 9.729 9.290 -6.669 411 H THR 51 H THR 51 7.531 12.313 -5.283 412 HA THR 51 HA THR 51 8.626 14.026 -7.458 413 HB THR 51 HB THR 51 6.112 14.362 -7.922 414 HG1 THR 51 HG1 THR 51 4.948 12.389 -7.248 415 1HG2 THR 51 3HG2 THR 51 7.333 11.604 -8.378 416 2HG2 THR 51 1HG2 THR 51 5.971 12.322 -9.283 417 3HG2 THR 51 2HG2 THR 51 7.582 13.040 -9.373 418 H ASN 52 H ASN 52 8.403 14.033 -4.267 419 HA ASN 52 HA ASN 52 7.869 15.303 -2.531 420 1HB ASN 52 1HB ASN 52 9.688 16.564 -3.662 421 2HB ASN 52 2HB ASN 52 8.457 17.624 -4.363 422 1HD2 ASN 52 2HD2 ASN 52 8.948 19.716 -1.537 423 2HD2 ASN 52 1HD2 ASN 52 8.970 19.529 -3.268 424 H HIS 53 H HIS 53 5.664 15.582 -5.106 425 HA HIS 53 HA HIS 53 3.785 17.383 -3.981 426 1HB HIS 53 1HB HIS 53 3.531 15.118 -5.986 427 2HB HIS 53 2HB HIS 53 2.149 16.097 -5.493 428 HD1 HIS 53 1HD HIS 53 1.899 18.535 -6.471 429 HD2 HIS 53 2HD HIS 53 5.327 16.374 -7.626 430 HE1 HIS 53 1HE HIS 53 3.022 19.881 -8.294 431 H THR 54 H THR 54 4.812 15.131 -2.098 432 HA THR 54 HA THR 54 2.930 13.396 -1.139 433 HB THR 54 HB THR 54 4.619 13.206 0.215 434 HG1 THR 54 HG1 THR 54 4.324 14.161 2.247 435 1HG2 THR 54 2HG2 THR 54 5.177 16.139 0.200 436 2HG2 THR 54 3HG2 THR 54 6.090 14.899 1.112 437 3HG2 THR 54 1HG2 THR 54 6.063 14.827 -0.655 438 H ASN 55 H ASN 55 3.183 16.692 -0.148 439 HA ASN 55 HA ASN 55 0.917 16.998 1.422 440 1HB ASN 55 1HB ASN 55 2.581 18.916 -0.172 441 2HB ASN 55 2HB ASN 55 0.987 19.488 0.275 442 1HD2 ASN 55 2HD2 ASN 55 3.127 18.418 3.609 443 2HD2 ASN 55 1HD2 ASN 55 3.029 17.256 2.301 444 H GLU 56 H GLU 56 0.734 16.684 -2.104 445 HA GLU 56 HA GLU 56 -2.168 17.307 -1.934 446 1HB GLU 56 1HB GLU 56 -2.138 18.264 -3.895 447 2HB GLU 56 2HB GLU 56 -0.409 18.462 -3.613 448 1HG GLU 56 1HG GLU 56 -0.068 16.286 -4.775 449 2HG GLU 56 2HG GLU 56 -1.804 16.241 -5.116 450 H ILE 57 H ILE 57 0.218 14.818 -2.662 451 HA ILE 57 HA ILE 57 -1.619 12.932 -3.846 452 HB ILE 57 HB ILE 57 1.205 12.902 -2.724 453 1HG1 ILE 57 1HG1 ILE 57 0.139 11.954 -5.435 454 2HG1 ILE 57 2HG1 ILE 57 0.475 13.654 -5.107 455 1HG2 ILE 57 2HG2 ILE 57 -0.352 10.407 -3.547 456 2HG2 ILE 57 3HG2 ILE 57 1.411 10.478 -3.357 457 3HG2 ILE 57 1HG2 ILE 57 0.374 10.737 -1.963 458 1HD1 ILE 57 1HD1 ILE 57 2.832 13.136 -4.586 459 2HD1 ILE 57 2HD1 ILE 57 2.551 11.438 -4.981 460 3HD1 ILE 57 3HD1 ILE 57 2.377 12.673 -6.235 461 H GLN 58 H GLN 58 -0.602 13.721 -0.557 462 HA GLN 58 HA GLN 58 -1.650 11.455 0.844 463 1HB GLN 58 1HB GLN 58 -0.811 14.334 1.487 464 2HB GLN 58 2HB GLN 58 -1.737 13.455 2.668 465 1HG GLN 58 1HG GLN 58 0.359 11.664 1.842 466 2HG GLN 58 2HG GLN 58 1.069 13.234 2.099 467 1HE2 GLN 58 2HE2 GLN 58 -0.152 11.109 5.367 468 2HE2 GLN 58 1HE2 GLN 58 -0.819 10.622 3.814 469 H ASP 59 H ASP 59 -2.904 14.740 0.221 470 HA ASP 59 HA ASP 59 -5.538 14.592 1.188 471 1HB ASP 59 1HB ASP 59 -4.156 16.541 0.220 472 2HB ASP 59 2HB ASP 59 -4.596 16.006 -1.352 473 H TYR 60 H TYR 60 -4.345 14.161 -2.046 474 HA TYR 60 HA TYR 60 -6.605 13.226 -3.392 475 1HB TYR 60 1HB TYR 60 -4.403 13.788 -4.443 476 2HB TYR 60 2HB TYR 60 -3.778 12.230 -3.915 477 HD1 TYR 60 2HD TYR 60 -4.646 10.110 -4.937 478 HD2 TYR 60 1HD TYR 60 -5.940 14.004 -6.286 479 HE1 TYR 60 2HE TYR 60 -5.723 9.070 -6.920 480 HE2 TYR 60 1HE TYR 60 -7.024 12.961 -8.256 481 HH TYR 60 HH TYR 60 -7.668 9.614 -8.479 482 H LEU 61 H LEU 61 -4.251 11.203 -1.564 483 HA LEU 61 HA LEU 61 -5.575 8.714 -2.067 484 1HB LEU 61 1HB LEU 61 -3.580 9.639 0.017 485 2HB LEU 61 2HB LEU 61 -4.281 8.040 0.110 486 HG LEU 61 HG LEU 61 -2.900 9.010 -2.419 487 1HD1 LEU 61 2HD1 LEU 61 -1.295 9.232 -0.560 488 2HD1 LEU 61 3HD1 LEU 61 -1.611 7.555 -0.066 489 3HD1 LEU 61 1HD1 LEU 61 -0.854 7.908 -1.642 490 1HD2 LEU 61 2HD2 LEU 61 -4.320 6.987 -2.600 491 2HD2 LEU 61 3HD2 LEU 61 -2.607 6.596 -2.803 492 3HD2 LEU 61 1HD2 LEU 61 -3.422 6.235 -1.263 493 H GLN 62 H GLN 62 -6.080 11.203 0.478 494 HA GLN 62 HA GLN 62 -7.891 9.568 2.024 495 1HB GLN 62 1HB GLN 62 -6.840 11.780 2.784 496 2HB GLN 62 2HB GLN 62 -8.001 12.603 1.752 497 1HG GLN 62 1HG GLN 62 -9.823 11.267 3.038 498 2HG GLN 62 2HG GLN 62 -8.549 10.866 4.181 499 1HE2 GLN 62 2HE2 GLN 62 -10.346 14.457 4.421 500 2HE2 GLN 62 1HE2 GLN 62 -10.919 13.158 3.365 501 H GLN 63 H GLN 63 -8.399 12.084 -0.455 502 HA GLN 63 HA GLN 63 -11.192 11.905 -0.565 503 1HB GLN 63 1HB GLN 63 -9.274 13.491 -1.617 504 2HB GLN 63 2HB GLN 63 -9.590 12.556 -3.041 505 1HG GLN 63 1HG GLN 63 -12.057 13.591 -1.704 506 2HG GLN 63 2HG GLN 63 -10.936 14.832 -2.250 507 1HE2 GLN 63 2HE2 GLN 63 -13.168 12.878 -5.029 508 2HE2 GLN 63 1HE2 GLN 63 -13.369 12.610 -3.288 509 H LEU 64 H LEU 64 -8.727 10.129 -2.329 510 HA LEU 64 HA LEU 64 -10.575 8.645 -4.028 511 1HB LEU 64 1HB LEU 64 -8.394 8.895 -4.901 512 2HB LEU 64 2HB LEU 64 -7.651 8.450 -3.366 513 HG LEU 64 HG LEU 64 -8.337 6.072 -3.675 514 1HD1 LEU 64 3HD1 LEU 64 -9.276 7.188 -6.333 515 2HD1 LEU 64 1HD1 LEU 64 -8.957 5.462 -6.057 516 3HD1 LEU 64 2HD1 LEU 64 -10.234 6.290 -5.153 517 1HD2 LEU 64 2HD2 LEU 64 -6.696 7.320 -5.909 518 2HD2 LEU 64 3HD2 LEU 64 -6.089 6.871 -4.295 519 3HD2 LEU 64 1HD2 LEU 64 -6.647 5.622 -5.425 520 H THR 65 H THR 65 -8.784 7.731 -0.972 521 HA THR 65 HA THR 65 -10.208 5.129 -1.115 522 HB THR 65 HB THR 65 -8.527 4.232 0.298 523 HG1 THR 65 HG1 THR 65 -7.293 6.793 0.345 524 1HG2 THR 65 3HG2 THR 65 -8.022 4.359 -2.103 525 2HG2 THR 65 1HG2 THR 65 -7.116 5.875 -1.821 526 3HG2 THR 65 2HG2 THR 65 -6.570 4.366 -1.087 527 H GLY 66 H GLY 66 -9.091 7.182 1.525 528 1HA GLY 66 1HA GLY 66 -11.472 7.979 2.695 529 2HA GLY 66 2HA GLY 66 -11.234 6.340 3.298 530 H ALA 67 H ALA 67 -8.061 7.137 3.101 531 HA ALA 67 HA ALA 67 -7.991 9.069 5.326 532 1HB ALA 67 2HB ALA 67 -7.850 6.752 6.333 533 2HB ALA 67 3HB ALA 67 -6.363 6.509 5.382 534 3HB ALA 67 1HB ALA 67 -6.429 7.775 6.611 535 H ARG 68 H ARG 68 -6.068 10.283 5.302 536 HA ARG 68 HA ARG 68 -4.541 10.166 2.739 537 1HB ARG 68 1HB ARG 68 -3.251 12.044 3.499 538 2HB ARG 68 2HB ARG 68 -4.934 12.456 3.477 539 1HG ARG 68 1HG ARG 68 -3.801 11.604 6.139 540 2HG ARG 68 2HG ARG 68 -3.185 13.102 5.443 541 1HD ARG 68 1HD ARG 68 -5.436 14.016 5.225 542 2HD ARG 68 2HD ARG 68 -6.132 12.477 5.766 543 HE ARG 68 HE ARG 68 -4.302 13.507 7.723 544 1HH1 ARG 68 2HH2 ARG 68 -7.610 13.985 6.468 545 2HH1 ARG 68 1HH2 ARG 68 -8.226 14.553 7.991 546 1HH2 ARG 68 2HH1 ARG 68 -5.060 14.444 9.622 547 2HH2 ARG 68 1HH1 ARG 68 -6.712 14.867 9.830 548 H THR 69 H THR 69 -4.271 9.111 6.094 549 HA THR 69 HA THR 69 -1.556 9.580 6.412 550 HB THR 69 HB THR 69 -1.783 7.831 8.250 551 HG1 THR 69 HG1 THR 69 -3.429 6.668 7.063 552 1HG2 THR 69 1HG2 THR 69 -3.980 9.957 8.115 553 2HG2 THR 69 2HG2 THR 69 -3.427 9.135 9.579 554 3HG2 THR 69 3HG2 THR 69 -2.317 10.201 8.693 555 H VAL 70 H VAL 70 0.265 8.517 5.939 556 HA VAL 70 HA VAL 70 0.003 6.153 4.210 557 HB VAL 70 HB VAL 70 2.595 6.605 4.041 558 1HG1 VAL 70 1HG1 VAL 70 0.903 6.793 2.221 559 2HG1 VAL 70 2HG1 VAL 70 0.554 8.456 2.729 560 3HG1 VAL 70 3HG1 VAL 70 2.168 8.019 2.107 561 1HG2 VAL 70 3HG2 VAL 70 2.676 8.434 5.772 562 2HG2 VAL 70 1HG2 VAL 70 3.189 8.968 4.148 563 3HG2 VAL 70 2HG2 VAL 70 1.603 9.416 4.750 564 HA PRO 71 HA PRO 71 1.707 4.380 3.700 565 1HB PRO 71 1HB PRO 71 1.320 1.676 4.038 566 2HB PRO 71 2HB PRO 71 2.870 2.499 4.378 567 1HG PRO 71 1HG PRO 71 0.669 1.795 6.350 568 2HG PRO 71 2HG PRO 71 2.426 1.488 6.495 569 1HD PRO 71 1HD PRO 71 1.310 3.625 7.686 570 2HD PRO 71 2HD PRO 71 2.900 3.759 6.906 571 H ARG 72 H ARG 72 0.156 3.620 2.119 572 HA ARG 72 HA ARG 72 -2.551 2.821 3.107 573 1HB ARG 72 1HB ARG 72 -1.996 4.616 0.705 574 2HB ARG 72 2HB ARG 72 -3.534 3.830 1.027 575 1HG ARG 72 1HG ARG 72 -2.211 5.920 2.786 576 2HG ARG 72 2HG ARG 72 -3.515 6.225 1.655 577 1HD ARG 72 1HD ARG 72 -3.751 4.394 4.076 578 2HD ARG 72 2HD ARG 72 -4.237 6.089 4.036 579 HE ARG 72 HE ARG 72 -5.690 5.186 1.985 580 1HH1 ARG 72 2HH2 ARG 72 -5.380 4.021 5.310 581 2HH1 ARG 72 1HH2 ARG 72 -7.016 3.466 5.444 582 1HH2 ARG 72 2HH1 ARG 72 -7.816 4.448 2.106 583 2HH2 ARG 72 1HH1 ARG 72 -8.449 3.656 3.481 584 H VAL 73 H VAL 73 -2.554 0.672 2.711 585 HA VAL 73 HA VAL 73 -0.887 -0.438 0.551 586 HB VAL 73 HB VAL 73 -2.599 -1.632 2.756 587 1HG1 VAL 73 2HG1 VAL 73 -1.125 -3.125 0.529 588 2HG1 VAL 73 3HG1 VAL 73 -1.825 -3.885 1.971 589 3HG1 VAL 73 1HG1 VAL 73 -2.874 -3.119 0.797 590 1HG2 VAL 73 3HG2 VAL 73 0.383 -1.709 2.169 591 2HG2 VAL 73 1HG2 VAL 73 -0.423 -0.849 3.508 592 3HG2 VAL 73 2HG2 VAL 73 -0.409 -2.612 3.442 593 H PHE 74 H PHE 74 -1.603 -0.899 -1.397 594 HA PHE 74 HA PHE 74 -4.493 -1.067 -2.037 595 1HB PHE 74 1HB PHE 74 -2.225 0.461 -3.238 596 2HB PHE 74 2HB PHE 74 -3.140 -0.492 -4.375 597 HD1 PHE 74 2HD PHE 74 -5.655 -0.309 -4.434 598 HD2 PHE 74 1HD PHE 74 -3.123 2.594 -2.526 599 HE1 PHE 74 2HE PHE 74 -7.366 1.443 -4.854 600 HE2 PHE 74 1HE PHE 74 -4.833 4.354 -2.940 601 HZ PHE 74 HZ PHE 74 -6.954 3.768 -4.127 602 H ILE 75 H ILE 75 -4.710 -3.264 -1.849 603 HA ILE 75 HA ILE 75 -2.832 -5.046 -3.318 604 HB ILE 75 HB ILE 75 -4.762 -5.358 -1.090 605 1HG1 ILE 75 1HG1 ILE 75 -3.349 -7.443 -0.656 606 2HG1 ILE 75 2HG1 ILE 75 -2.297 -6.866 -1.961 607 1HG2 ILE 75 2HG2 ILE 75 -4.592 -7.462 -3.286 608 2HG2 ILE 75 3HG2 ILE 75 -5.260 -7.741 -1.680 609 3HG2 ILE 75 1HG2 ILE 75 -6.065 -6.607 -2.742 610 1HD1 ILE 75 2HD1 ILE 75 -2.044 -4.779 -0.587 611 2HD1 ILE 75 3HD1 ILE 75 -2.868 -5.644 0.735 612 3HD1 ILE 75 1HD1 ILE 75 -1.330 -6.254 0.101 613 H GLY 76 H GLY 76 -3.300 -5.094 -5.460 614 1HA GLY 76 1HA GLY 76 -4.367 -4.815 -7.459 615 2HA GLY 76 2HA GLY 76 -5.502 -5.951 -6.738 616 H LYS 77 H LYS 77 -4.841 -2.417 -6.906 617 HA LYS 77 HA LYS 77 -6.161 -0.614 -6.612 618 1HB LYS 77 1HB LYS 77 -6.656 -2.025 -8.963 619 2HB LYS 77 2HB LYS 77 -8.258 -1.645 -8.406 620 1HG LYS 77 1HG LYS 77 -6.253 0.601 -8.304 621 2HG LYS 77 2HG LYS 77 -6.588 -0.057 -9.883 622 1HD LYS 77 1HD LYS 77 -8.732 0.957 -7.950 623 2HD LYS 77 2HD LYS 77 -7.996 1.924 -9.230 624 1HE LYS 77 1HE LYS 77 -8.819 0.345 -10.950 625 2HE LYS 77 2HE LYS 77 -9.566 -0.653 -9.692 626 1HZ LYS 77 1HZ LYS 77 -10.997 1.260 -9.149 627 2HZ LYS 77 2HZ LYS 77 -10.278 2.133 -10.347 628 3HZ LYS 77 3HZ LYS 77 -11.168 0.826 -10.708 629 H ASP 78 H ASP 78 -6.856 -2.815 -4.591 630 HA ASP 78 HA ASP 78 -9.407 -1.613 -3.703 631 1HB ASP 78 1HB ASP 78 -9.388 -4.067 -4.479 632 2HB ASP 78 2HB ASP 78 -8.349 -4.409 -3.097 633 H CYS 79 H CYS 79 -8.581 0.021 -2.362 634 HA CYS 79 HA CYS 79 -6.107 -0.346 -0.936 635 1HB CYS 79 1HB CYS 79 -6.985 1.880 -1.684 636 2HB CYS 79 2HB CYS 79 -8.202 1.789 -0.401 637 HG CYS 79 HG CYS 79 -4.998 1.194 0.148 638 H ILE 80 H ILE 80 -5.833 -1.523 0.920 639 HA ILE 80 HA ILE 80 -8.223 -2.795 1.967 640 HB ILE 80 HB ILE 80 -6.776 -4.373 2.850 641 1HG1 ILE 80 1HG1 ILE 80 -4.178 -3.905 2.849 642 2HG1 ILE 80 2HG1 ILE 80 -4.680 -2.216 2.929 643 1HG2 ILE 80 3HG2 ILE 80 -6.668 -4.228 0.330 644 2HG2 ILE 80 1HG2 ILE 80 -5.146 -3.353 0.490 645 3HG2 ILE 80 2HG2 ILE 80 -5.266 -5.002 1.110 646 1HD1 ILE 80 3HD1 ILE 80 -6.192 -3.406 4.964 647 2HD1 ILE 80 1HD1 ILE 80 -4.713 -4.353 4.974 648 3HD1 ILE 80 2HD1 ILE 80 -4.635 -2.586 5.183 649 H GLY 81 H GLY 81 -6.158 -0.165 2.833 650 1HA GLY 81 1HA GLY 81 -7.290 1.229 4.689 651 2HA GLY 81 2HA GLY 81 -6.876 -0.195 5.664 652 H GLY 82 H GLY 82 -5.433 1.458 6.807 653 1HA GLY 82 1HA GLY 82 -3.075 2.285 5.198 654 2HA GLY 82 2HA GLY 82 -3.688 3.100 6.637 655 H CYS 83 H CYS 83 -3.436 2.046 8.697 656 HA CYS 83 HA CYS 83 -1.003 0.333 8.805 657 1HB CYS 83 1HB CYS 83 -1.437 2.248 11.039 658 2HB CYS 83 2HB CYS 83 0.034 1.756 10.217 659 HG CYS 83 HG CYS 83 -0.536 3.196 7.985 660 H SER 84 H SER 84 -3.604 1.603 11.013 661 HA SER 84 HA SER 84 -3.583 -0.598 12.732 662 1HB SER 84 1HB SER 84 -5.916 1.237 12.016 663 2HB SER 84 2HB SER 84 -5.734 0.308 13.512 664 HG SER 84 HG SER 84 -4.044 1.563 14.116 665 H ASP 85 H ASP 85 -5.493 -0.090 9.734 666 HA ASP 85 HA ASP 85 -7.086 -2.486 9.850 667 1HB ASP 85 1HB ASP 85 -6.092 -0.638 7.676 668 2HB ASP 85 2HB ASP 85 -6.643 -2.237 7.196 669 H LEU 86 H LEU 86 -3.990 -1.726 8.298 670 HA LEU 86 HA LEU 86 -3.622 -4.164 7.018 671 1HB LEU 86 1HB LEU 86 -2.588 -1.927 6.569 672 2HB LEU 86 2HB LEU 86 -1.522 -2.147 7.937 673 HG LEU 86 HG LEU 86 -0.550 -2.493 5.682 674 1HD1 LEU 86 2HD1 LEU 86 0.455 -3.464 7.750 675 2HD1 LEU 86 3HD1 LEU 86 -0.303 -5.012 7.310 676 3HD1 LEU 86 1HD1 LEU 86 0.886 -4.262 6.234 677 1HD2 LEU 86 2HD2 LEU 86 -2.389 -3.666 4.561 678 2HD2 LEU 86 3HD2 LEU 86 -0.895 -4.621 4.482 679 3HD2 LEU 86 1HD2 LEU 86 -2.163 -5.079 5.630 680 H VAL 87 H VAL 87 -2.483 -3.181 10.345 681 HA VAL 87 HA VAL 87 -1.070 -5.534 10.883 682 HB VAL 87 HB VAL 87 -2.474 -3.401 12.547 683 1HG1 VAL 87 1HG1 VAL 87 -0.470 -5.525 13.381 684 2HG1 VAL 87 2HG1 VAL 87 -1.001 -4.139 14.386 685 3HG1 VAL 87 3HG1 VAL 87 -2.163 -5.396 13.908 686 1HG2 VAL 87 1HG2 VAL 87 -0.504 -2.670 11.050 687 2HG2 VAL 87 2HG2 VAL 87 -0.327 -2.384 12.779 688 3HG2 VAL 87 3HG2 VAL 87 0.509 -3.750 12.010 689 H SER 88 H SER 88 -4.636 -4.742 11.195 690 HA SER 88 HA SER 88 -5.263 -7.085 12.819 691 1HB SER 88 1HB SER 88 -6.865 -5.197 11.060 692 2HB SER 88 2HB SER 88 -7.395 -6.863 11.095 693 HG SER 88 HG SER 88 -7.249 -5.124 13.270 694 H LEU 89 H LEU 89 -5.357 -6.270 9.317 695 HA LEU 89 HA LEU 89 -6.151 -8.783 8.418 696 1HB LEU 89 1HB LEU 89 -4.637 -6.491 7.112 697 2HB LEU 89 2HB LEU 89 -4.900 -7.977 6.280 698 HG LEU 89 HG LEU 89 -7.418 -7.692 6.919 699 1HD1 LEU 89 3HD1 LEU 89 -6.467 -4.816 6.889 700 2HD1 LEU 89 1HD1 LEU 89 -8.155 -5.348 6.729 701 3HD1 LEU 89 2HD1 LEU 89 -7.280 -5.674 8.221 702 1HD2 LEU 89 3HD2 LEU 89 -5.994 -6.233 4.663 703 2HD2 LEU 89 1HD2 LEU 89 -6.599 -7.903 4.648 704 3HD2 LEU 89 2HD2 LEU 89 -7.730 -6.566 4.732 705 H GLN 90 H GLN 90 -2.798 -7.649 9.195 706 HA GLN 90 HA GLN 90 -1.560 -10.083 8.307 707 1HB GLN 90 1HB GLN 90 -0.292 -7.982 8.844 708 2HB GLN 90 2HB GLN 90 -0.659 -8.237 10.554 709 1HG GLN 90 1HG GLN 90 0.456 -10.590 10.249 710 2HG GLN 90 2HG GLN 90 1.037 -9.943 8.711 711 1HE2 GLN 90 2HE2 GLN 90 3.941 -9.159 10.645 712 2HE2 GLN 90 1HE2 GLN 90 3.276 -10.199 9.391 713 H GLN 91 H GLN 91 -2.618 -9.048 11.659 714 HA GLN 91 HA GLN 91 -1.711 -11.356 12.890 715 1HB GLN 91 1HB GLN 91 -2.865 -8.812 13.519 716 2HB GLN 91 2HB GLN 91 -3.908 -9.964 14.289 717 1HG GLN 91 1HG GLN 91 -0.889 -10.105 14.565 718 2HG GLN 91 2HG GLN 91 -1.851 -8.957 15.461 719 1HE2 GLN 91 2HE2 GLN 91 -2.711 -12.890 16.483 720 2HE2 GLN 91 1HE2 GLN 91 -2.854 -12.451 14.807 721 H SER 92 H SER 92 -4.995 -10.476 11.828 722 HA SER 92 HA SER 92 -6.374 -12.872 12.609 723 1HB SER 92 1HB SER 92 -7.499 -10.729 12.132 724 2HB SER 92 2HB SER 92 -6.870 -10.733 10.479 725 HG SER 92 HG SER 92 -9.008 -11.407 10.533 726 H GLY 93 H GLY 93 -4.877 -11.681 9.564 727 1HA GLY 93 1HA GLY 93 -3.657 -13.170 8.100 728 2HA GLY 93 2HA GLY 93 -4.831 -14.448 8.459 729 H GLU 94 H GLU 94 -6.550 -11.400 8.249 730 HA GLU 94 HA GLU 94 -7.833 -12.310 5.859 731 1HB GLU 94 1HB GLU 94 -8.985 -11.086 7.552 732 2HB GLU 94 2HB GLU 94 -7.848 -9.748 7.466 733 1HG GLU 94 1HG GLU 94 -8.662 -9.252 5.143 734 2HG GLU 94 2HG GLU 94 -9.814 -10.584 5.290 735 H LEU 95 H LEU 95 -4.966 -10.396 6.452 736 HA LEU 95 HA LEU 95 -4.702 -8.982 4.058 737 1HB LEU 95 1HB LEU 95 -3.125 -9.021 6.142 738 2HB LEU 95 2HB LEU 95 -2.380 -10.416 5.436 739 HG LEU 95 HG LEU 95 -1.496 -9.115 3.629 740 1HD1 LEU 95 3HD1 LEU 95 -3.350 -6.866 4.527 741 2HD1 LEU 95 1HD1 LEU 95 -2.002 -6.646 3.393 742 3HD1 LEU 95 2HD1 LEU 95 -3.340 -7.698 2.951 743 1HD2 LEU 95 2HD2 LEU 95 -1.389 -7.497 6.221 744 2HD2 LEU 95 3HD2 LEU 95 -0.349 -8.871 5.794 745 3HD2 LEU 95 1HD2 LEU 95 -0.240 -7.357 4.888 746 H LEU 96 H LEU 96 -3.985 -12.396 4.775 747 HA LEU 96 HA LEU 96 -2.570 -12.931 2.339 748 1HB LEU 96 1HB LEU 96 -3.912 -14.793 4.325 749 2HB LEU 96 2HB LEU 96 -3.082 -15.308 2.859 750 HG LEU 96 HG LEU 96 -1.112 -13.736 3.777 751 1HD1 LEU 96 3HD1 LEU 96 -2.564 -14.588 6.322 752 2HD1 LEU 96 1HD1 LEU 96 -0.903 -13.978 6.254 753 3HD1 LEU 96 2HD1 LEU 96 -2.241 -12.919 5.803 754 1HD2 LEU 96 1HD2 LEU 96 -0.940 -16.098 3.241 755 2HD2 LEU 96 2HD2 LEU 96 -0.093 -15.723 4.739 756 3HD2 LEU 96 3HD2 LEU 96 -1.682 -16.526 4.805 757 H THR 97 H THR 97 -5.975 -13.627 3.389 758 HA THR 97 HA THR 97 -6.940 -14.607 0.986 759 HB THR 97 HB THR 97 -8.451 -12.780 2.907 760 HG1 THR 97 HG1 THR 97 -8.727 -14.670 4.157 761 1HG2 THR 97 2HG2 THR 97 -9.742 -13.584 0.935 762 2HG2 THR 97 3HG2 THR 97 -9.323 -15.259 1.352 763 3HG2 THR 97 1HG2 THR 97 -10.343 -14.295 2.442 764 H ARG 98 H ARG 98 -6.678 -11.178 2.057 765 HA ARG 98 HA ARG 98 -7.903 -9.924 -0.138 766 1HB ARG 98 1HB ARG 98 -7.138 -8.926 2.069 767 2HB ARG 98 2HB ARG 98 -5.528 -8.806 1.368 768 1HG ARG 98 1HG ARG 98 -6.066 -6.917 0.356 769 2HG ARG 98 2HG ARG 98 -7.338 -7.701 -0.574 770 1HD ARG 98 1HD ARG 98 -7.665 -6.585 2.230 771 2HD ARG 98 2HD ARG 98 -8.117 -5.758 0.719 772 HE ARG 98 HE ARG 98 -9.630 -7.640 0.228 773 1HH1 ARG 98 2HH2 ARG 98 -9.458 -6.338 3.544 774 2HH1 ARG 98 1HH2 ARG 98 -10.506 -7.536 4.213 775 1HH2 ARG 98 2HH1 ARG 98 -11.185 -9.026 1.036 776 2HH2 ARG 98 1HH1 ARG 98 -11.676 -8.938 2.699 777 H LEU 99 H LEU 99 -4.351 -10.675 0.229 778 HA LEU 99 HA LEU 99 -3.861 -9.705 -2.501 779 1HB LEU 99 1HB LEU 99 -1.535 -10.692 -2.098 780 2HB LEU 99 2HB LEU 99 -2.080 -9.293 -1.241 781 HG LEU 99 HG LEU 99 -2.748 -11.360 0.516 782 1HD1 LEU 99 2HD1 LEU 99 -1.567 -12.982 -0.736 783 2HD1 LEU 99 3HD1 LEU 99 -0.082 -12.015 -0.630 784 3HD1 LEU 99 1HD1 LEU 99 -0.816 -12.684 0.835 785 1HD2 LEU 99 1HD2 LEU 99 -0.316 -9.542 0.441 786 2HD2 LEU 99 2HD2 LEU 99 -1.900 -9.163 1.139 787 3HD2 LEU 99 3HD2 LEU 99 -0.914 -10.428 1.865 788 H LYS 100 H LYS 100 -4.304 -12.938 -1.072 789 HA LYS 100 HA LYS 100 -3.753 -14.405 -3.461 790 1HB LYS 100 1HB LYS 100 -5.633 -14.837 -1.128 791 2HB LYS 100 2HB LYS 100 -5.576 -15.938 -2.493 792 1HG LYS 100 1HG LYS 100 -3.052 -16.158 -2.139 793 2HG LYS 100 2HG LYS 100 -3.205 -15.118 -0.742 794 1HD LYS 100 1HD LYS 100 -3.452 -17.044 0.444 795 2HD LYS 100 2HD LYS 100 -5.113 -17.014 -0.102 796 1HE LYS 100 1HE LYS 100 -2.787 -18.492 -1.439 797 2HE LYS 100 2HE LYS 100 -4.037 -19.225 -0.442 798 1HZ LYS 100 3HZ LYS 100 -5.673 -18.498 -2.115 799 2HZ LYS 100 1HZ LYS 100 -4.455 -17.924 -3.068 800 3HZ LYS 100 2HZ LYS 100 -4.515 -19.515 -2.758 801 H GLN 101 H GLN 101 -6.627 -12.517 -2.626 802 HA GLN 101 HA GLN 101 -8.256 -13.159 -4.816 803 1HB GLN 101 1HB GLN 101 -8.539 -11.613 -2.699 804 2HB GLN 101 2HB GLN 101 -8.072 -10.317 -3.798 805 1HG GLN 101 1HG GLN 101 -9.979 -10.611 -5.162 806 2HG GLN 101 2HG GLN 101 -10.345 -12.198 -4.471 807 1HE2 GLN 101 2HE2 GLN 101 -11.971 -10.924 -1.548 808 2HE2 GLN 101 1HE2 GLN 101 -10.934 -12.249 -2.100 809 H ILE 102 H ILE 102 -5.176 -11.630 -5.003 810 HA ILE 102 HA ILE 102 -5.656 -10.772 -7.822 811 HB ILE 102 HB ILE 102 -4.266 -9.003 -7.555 812 1HG1 ILE 102 1HG1 ILE 102 -3.285 -9.247 -4.760 813 2HG1 ILE 102 2HG1 ILE 102 -2.740 -10.519 -5.781 814 1HG2 ILE 102 1HG2 ILE 102 -6.336 -8.639 -6.259 815 2HG2 ILE 102 2HG2 ILE 102 -5.505 -9.172 -4.782 816 3HG2 ILE 102 3HG2 ILE 102 -4.947 -7.718 -5.615 817 1HD1 ILE 102 2HD1 ILE 102 -2.531 -7.594 -6.490 818 2HD1 ILE 102 3HD1 ILE 102 -1.207 -8.548 -5.783 819 3HD1 ILE 102 1HD1 ILE 102 -1.820 -8.936 -7.410 820 H GLY 103 H GLY 103 -4.682 -13.401 -6.303 821 1HA GLY 103 1HA GLY 103 -3.404 -15.172 -6.875 822 2HA GLY 103 2HA GLY 103 -3.115 -14.388 -8.427 823 H ALA 104 H ALA 104 -2.182 -13.213 -5.172 824 HA ALA 104 HA ALA 104 0.599 -12.616 -5.941 825 1HB ALA 104 3HB ALA 104 -0.959 -12.754 -3.268 826 2HB ALA 104 1HB ALA 104 0.655 -12.066 -3.485 827 3HB ALA 104 2HB ALA 104 -0.754 -11.294 -4.254 828 H LEU 105 H LEU 105 -0.769 -15.070 -3.483 829 HA LEU 105 HA LEU 105 1.924 -15.640 -3.027 830 1HB LEU 105 1HB LEU 105 -0.402 -17.381 -2.306 831 2HB LEU 105 2HB LEU 105 1.146 -17.283 -1.568 832 HG LEU 105 HG LEU 105 -0.904 -15.094 -1.385 833 1HD1 LEU 105 3HD1 LEU 105 -1.243 -17.171 0.032 834 2HD1 LEU 105 1HD1 LEU 105 0.290 -16.817 0.819 835 3HD1 LEU 105 2HD1 LEU 105 -1.057 -15.659 0.945 836 1HD2 LEU 105 3HD2 LEU 105 1.976 -15.259 -0.442 837 2HD2 LEU 105 1HD2 LEU 105 1.210 -13.990 -1.405 838 3HD2 LEU 105 2HD2 LEU 105 0.827 -14.173 0.321 839 H GLN 106 H GLN 106 3.116 -17.309 -3.431 840 HA GLN 106 HA GLN 106 2.463 -19.461 -5.306 841 1HB GLN 106 2HB GLN 106 3.111 -17.604 -6.782 842 2HB GLN 106 3HB GLN 106 4.605 -17.354 -5.864 843 1HG GLN 106 2HG GLN 106 5.487 -19.475 -6.521 844 2HG GLN 106 3HG GLN 106 3.926 -20.033 -7.108 845 1HE2 GLN 106 2HE2 GLN 106 4.822 -19.253 -10.378 846 2HE2 GLN 106 1HE2 GLN 106 3.882 -20.181 -9.235 No H/Q in entry = 846 Start of MODEL 13 1 1H ALA 2 2H ALA 2 -3.181 13.589 -6.838 2 2H ALA 2 3H ALA 2 -2.641 12.179 -6.204 3 3H ALA 2 1H ALA 2 -1.814 13.624 -5.972 4 HA ALA 2 HA ALA 2 -1.318 13.762 -8.275 5 1HB ALA 2 3HB ALA 2 -0.634 10.999 -7.156 6 2HB ALA 2 1HB ALA 2 0.141 11.771 -8.555 7 3HB ALA 2 2HB ALA 2 0.334 12.478 -6.950 8 H GLN 3 H GLN 3 -1.669 13.134 -10.279 9 HA GLN 3 HA GLN 3 -3.752 11.211 -11.009 10 1HB GLN 3 1HB GLN 3 -2.731 11.639 -13.340 11 2HB GLN 3 2HB GLN 3 -3.646 12.909 -12.581 12 1HG GLN 3 1HG GLN 3 -0.592 12.863 -12.616 13 2HG GLN 3 2HG GLN 3 -1.604 13.679 -13.801 14 1HE2 GLN 3 2HE2 GLN 3 -0.785 15.663 -10.414 15 2HE2 GLN 3 1HE2 GLN 3 0.207 14.373 -11.021 16 H GLU 4 H GLU 4 -0.602 11.086 -12.564 17 HA GLU 4 HA GLU 4 -0.926 8.347 -12.602 18 1HB GLU 4 1HB GLU 4 1.457 10.050 -13.433 19 2HB GLU 4 2HB GLU 4 1.205 8.350 -13.867 20 1HG GLU 4 1HG GLU 4 -1.074 9.074 -14.816 21 2HG GLU 4 2HG GLU 4 -0.531 10.746 -14.624 22 H PHE 5 H PHE 5 1.211 10.251 -10.541 23 HA PHE 5 HA PHE 5 2.886 8.197 -9.666 24 1HB PHE 5 1HB PHE 5 2.855 10.770 -9.123 25 2HB PHE 5 2HB PHE 5 1.921 10.292 -7.713 26 HD1 PHE 5 2HD PHE 5 5.175 10.011 -9.469 27 HD2 PHE 5 1HD PHE 5 3.017 9.097 -5.848 28 HE1 PHE 5 2HE PHE 5 7.297 9.373 -8.369 29 HE2 PHE 5 1HE PHE 5 5.148 8.491 -4.740 30 HZ PHE 5 HZ PHE 5 7.288 8.580 -6.003 31 H VAL 6 H VAL 6 -0.511 8.738 -8.750 32 HA VAL 6 HA VAL 6 -0.407 6.348 -7.040 33 HB VAL 6 HB VAL 6 -2.309 8.708 -7.115 34 1HG1 VAL 6 3HG1 VAL 6 -2.439 6.242 -5.328 35 2HG1 VAL 6 1HG1 VAL 6 -3.448 7.690 -5.180 36 3HG1 VAL 6 2HG1 VAL 6 -3.601 6.650 -6.599 37 1HG2 VAL 6 1HG2 VAL 6 -0.106 9.101 -5.985 38 2HG2 VAL 6 2HG2 VAL 6 -1.455 9.104 -4.836 39 3HG2 VAL 6 3HG2 VAL 6 -0.390 7.691 -4.975 40 H ASN 7 H ASN 7 -2.784 7.897 -9.328 41 HA ASN 7 HA ASN 7 -4.307 5.489 -9.334 42 1HB ASN 7 1HB ASN 7 -4.341 7.890 -11.197 43 2HB ASN 7 2HB ASN 7 -5.438 6.514 -11.354 44 1HD2 ASN 7 2HD2 ASN 7 -6.920 9.330 -9.260 45 2HD2 ASN 7 1HD2 ASN 7 -5.883 9.454 -10.640 46 H CYS 8 H CYS 8 -2.001 6.778 -11.753 47 HA CYS 8 HA CYS 8 -2.419 4.576 -13.597 48 1HB CYS 8 1HB CYS 8 -1.591 6.946 -14.104 49 2HB CYS 8 2HB CYS 8 -0.001 6.406 -13.495 50 HG CYS 8 HG CYS 8 -0.125 6.555 -16.124 51 H LYS 9 H LYS 9 -0.575 4.933 -10.661 52 HA LYS 9 HA LYS 9 1.287 2.774 -11.229 53 1HB LYS 9 1HB LYS 9 0.920 4.696 -9.081 54 2HB LYS 9 2HB LYS 9 0.911 3.079 -8.396 55 1HG LYS 9 1HG LYS 9 3.160 3.806 -8.373 56 2HG LYS 9 2HG LYS 9 3.041 2.593 -9.647 57 1HD LYS 9 1HD LYS 9 2.871 4.528 -11.323 58 2HD LYS 9 2HD LYS 9 3.219 5.622 -9.961 59 1HE LYS 9 1HE LYS 9 5.286 4.205 -9.488 60 2HE LYS 9 2HE LYS 9 4.957 3.315 -10.972 61 1HZ LYS 9 3HZ LYS 9 5.191 5.462 -12.170 62 2HZ LYS 9 1HZ LYS 9 5.687 6.178 -10.754 63 3HZ LYS 9 2HZ LYS 9 6.531 4.952 -11.430 64 H ILE 10 H ILE 10 -1.932 2.951 -9.507 65 HA ILE 10 HA ILE 10 -1.519 0.146 -8.776 66 HB ILE 10 HB ILE 10 -4.159 1.514 -8.434 67 1HG1 ILE 10 1HG1 ILE 10 -2.507 1.913 -6.032 68 2HG1 ILE 10 2HG1 ILE 10 -1.891 2.825 -7.384 69 1HG2 ILE 10 2HG2 ILE 10 -3.875 -0.863 -7.725 70 2HG2 ILE 10 3HG2 ILE 10 -2.546 -0.391 -6.665 71 3HG2 ILE 10 1HG2 ILE 10 -4.184 0.197 -6.337 72 1HD1 ILE 10 1HD1 ILE 10 -4.777 2.875 -6.435 73 2HD1 ILE 10 2HD1 ILE 10 -3.556 4.134 -6.146 74 3HD1 ILE 10 3HD1 ILE 10 -4.118 3.809 -7.796 75 H GLN 11 H GLN 11 -2.631 -1.630 -9.588 76 HA GLN 11 HA GLN 11 -4.952 -1.252 -11.272 77 1HB GLN 11 1HB GLN 11 -4.163 -2.916 -12.946 78 2HB GLN 11 2HB GLN 11 -3.277 -1.403 -12.992 79 1HG GLN 11 1HG GLN 11 -1.354 -2.453 -11.885 80 2HG GLN 11 2HG GLN 11 -2.261 -3.949 -11.662 81 1HE2 GLN 11 2HE2 GLN 11 -0.571 -3.177 -15.307 82 2HE2 GLN 11 1HE2 GLN 11 -0.480 -1.984 -14.012 83 HA PRO 12 HA PRO 12 -5.948 -4.981 -8.842 84 1HB PRO 12 1HB PRO 12 -7.073 -6.717 -10.685 85 2HB PRO 12 2HB PRO 12 -7.938 -5.405 -9.834 86 1HG PRO 12 1HG PRO 12 -6.758 -5.380 -12.611 87 2HG PRO 12 2HG PRO 12 -8.333 -4.733 -12.036 88 1HD PRO 12 1HD PRO 12 -6.181 -3.134 -12.453 89 2HD PRO 12 2HD PRO 12 -7.325 -2.821 -11.124 90 H GLY 13 H GLY 13 -5.118 -7.207 -8.638 91 1HA GLY 13 1HA GLY 13 -3.569 -8.880 -8.944 92 2HA GLY 13 2HA GLY 13 -3.404 -8.329 -10.597 93 H LYS 14 H LYS 14 -2.563 -5.767 -8.407 94 HA LYS 14 HA LYS 14 0.154 -6.798 -7.939 95 1HB LYS 14 1HB LYS 14 -0.561 -4.376 -9.579 96 2HB LYS 14 2HB LYS 14 0.562 -4.070 -8.251 97 1HG LYS 14 1HG LYS 14 1.902 -6.069 -9.032 98 2HG LYS 14 2HG LYS 14 0.885 -6.116 -10.466 99 1HD LYS 14 1HD LYS 14 2.930 -5.047 -11.009 100 2HD LYS 14 2HD LYS 14 1.676 -3.789 -11.007 101 1HE LYS 14 1HE LYS 14 2.436 -3.061 -8.765 102 2HE LYS 14 2HE LYS 14 3.649 -4.359 -8.725 103 1HZ LYS 14 1HZ LYS 14 3.566 -2.300 -10.821 104 2HZ LYS 14 2HZ LYS 14 4.397 -2.056 -9.466 105 3HZ LYS 14 3HZ LYS 14 4.822 -3.317 -10.474 106 H VAL 15 H VAL 15 1.143 -5.693 -5.997 107 HA VAL 15 HA VAL 15 -0.975 -4.548 -4.254 108 HB VAL 15 HB VAL 15 1.663 -5.793 -3.468 109 1HG1 VAL 15 1HG1 VAL 15 -0.794 -4.825 -2.001 110 2HG1 VAL 15 2HG1 VAL 15 0.420 -5.865 -1.208 111 3HG1 VAL 15 3HG1 VAL 15 0.858 -4.253 -1.799 112 1HG2 VAL 15 3HG2 VAL 15 -1.064 -7.115 -3.538 113 2HG2 VAL 15 1HG2 VAL 15 0.411 -7.621 -4.392 114 3HG2 VAL 15 2HG2 VAL 15 0.345 -7.742 -2.643 115 H VAL 16 H VAL 16 -0.736 -2.336 -3.926 116 HA VAL 16 HA VAL 16 1.965 -1.174 -4.445 117 HB VAL 16 HB VAL 16 -0.709 0.012 -5.261 118 1HG1 VAL 16 1HG1 VAL 16 1.064 1.693 -4.843 119 2HG1 VAL 16 2HG1 VAL 16 2.154 0.813 -5.940 120 3HG1 VAL 16 3HG1 VAL 16 0.677 1.579 -6.564 121 1HG2 VAL 16 3HG2 VAL 16 1.366 -1.560 -6.854 122 2HG2 VAL 16 1HG2 VAL 16 -0.363 -1.919 -6.685 123 3HG2 VAL 16 2HG2 VAL 16 0.162 -0.514 -7.617 124 H VAL 17 H VAL 17 2.670 0.212 -2.899 125 HA VAL 17 HA VAL 17 0.732 1.020 -0.788 126 HB VAL 17 HB VAL 17 3.605 0.361 -0.169 127 1HG1 VAL 17 1HG1 VAL 17 2.310 1.717 1.441 128 2HG1 VAL 17 2HG1 VAL 17 1.069 0.460 1.516 129 3HG1 VAL 17 3HG1 VAL 17 2.715 0.130 2.111 130 1HG2 VAL 17 2HG2 VAL 17 1.298 -1.621 -0.049 131 2HG2 VAL 17 3HG2 VAL 17 2.740 -1.731 -1.083 132 3HG2 VAL 17 1HG2 VAL 17 2.925 -1.828 0.660 133 H PHE 18 H PHE 18 0.549 3.143 -0.816 134 HA PHE 18 HA PHE 18 2.749 4.844 -1.808 135 1HB PHE 18 1HB PHE 18 0.039 5.601 -0.633 136 2HB PHE 18 2HB PHE 18 1.177 6.724 -1.398 137 HD1 PHE 18 1HD PHE 18 2.031 6.183 -3.753 138 HD2 PHE 18 2HD PHE 18 -1.453 4.306 -2.030 139 HE1 PHE 18 1HE PHE 18 1.362 5.345 -5.983 140 HE2 PHE 18 2HE PHE 18 -2.149 3.552 -4.298 141 HZ PHE 18 HZ PHE 18 -0.755 4.143 -6.269 142 H ILE 19 H ILE 19 4.314 5.551 -0.551 143 HA ILE 19 HA ILE 19 4.060 5.359 2.393 144 HB ILE 19 HB ILE 19 6.356 4.414 2.426 145 1HG1 ILE 19 1HG1 ILE 19 6.296 3.543 -0.437 146 2HG1 ILE 19 2HG1 ILE 19 6.769 5.202 -0.132 147 1HG2 ILE 19 1HG2 ILE 19 4.488 2.867 2.622 148 2HG2 ILE 19 2HG2 ILE 19 4.454 2.653 0.858 149 3HG2 ILE 19 3HG2 ILE 19 5.864 2.129 1.790 150 1HD1 ILE 19 1HD1 ILE 19 8.536 4.494 1.416 151 2HD1 ILE 19 2HD1 ILE 19 8.110 2.794 1.119 152 3HD1 ILE 19 3HD1 ILE 19 8.739 3.798 -0.202 153 H LYS 20 H LYS 20 5.889 6.446 3.458 154 HA LYS 20 HA LYS 20 7.555 8.147 1.785 155 1HB LYS 20 1HB LYS 20 7.581 9.748 3.850 156 2HB LYS 20 2HB LYS 20 6.426 10.000 2.553 157 1HG LYS 20 1HG LYS 20 4.600 9.387 3.818 158 2HG LYS 20 2HG LYS 20 5.524 8.348 4.906 159 1HD LYS 20 1HD LYS 20 4.677 10.402 5.975 160 2HD LYS 20 2HD LYS 20 6.426 10.165 6.115 161 1HE LYS 20 1HE LYS 20 6.831 11.846 4.380 162 2HE LYS 20 2HE LYS 20 5.081 12.024 4.109 163 1HZ LYS 20 2HZ LYS 20 6.469 12.636 6.651 164 2HZ LYS 20 3HZ LYS 20 5.932 13.754 5.555 165 3HZ LYS 20 1HZ LYS 20 4.861 12.817 6.353 166 HA PRO 21 HA PRO 21 9.914 5.300 4.329 167 1HB PRO 21 1HB PRO 21 12.482 6.186 3.846 168 2HB PRO 21 2HB PRO 21 11.522 5.235 2.669 169 1HG PRO 21 1HG PRO 21 11.838 8.254 2.810 170 2HG PRO 21 2HG PRO 21 12.018 7.190 1.378 171 1HD PRO 21 1HD PRO 21 9.744 8.532 1.867 172 2HD PRO 21 2HD PRO 21 9.688 6.862 1.215 173 H THR 22 H THR 22 9.757 8.779 4.716 174 HA THR 22 HA THR 22 11.257 8.949 7.165 175 HB THR 22 HB THR 22 10.371 11.321 6.999 176 HG1 THR 22 HG1 THR 22 9.286 11.914 5.245 177 1HG2 THR 22 2HG2 THR 22 12.555 10.681 6.029 178 2HG2 THR 22 3HG2 THR 22 11.768 10.294 4.485 179 3HG2 THR 22 1HG2 THR 22 11.764 11.959 5.098 180 H CYS 23 H CSN 23 8.223 7.577 6.621 181 HA CYS 23 HA CSN 23 7.396 8.293 9.374 182 1HB CYS 23 2HB CSN 23 5.838 7.367 6.989 183 2HB CYS 23 3HB CSN 23 5.370 6.774 8.557 184 HA PRO 24 HA PRO 24 9.289 4.283 10.255 185 1HB PRO 24 1HB PRO 24 8.342 3.901 12.795 186 2HB PRO 24 2HB PRO 24 9.547 5.169 12.425 187 1HG PRO 24 1HG PRO 24 6.543 5.453 12.631 188 2HG PRO 24 2HG PRO 24 7.784 6.423 13.477 189 1HD PRO 24 1HD PRO 24 6.651 7.286 11.166 190 2HD PRO 24 2HD PRO 24 8.396 7.535 11.455 191 H TYR 25 H TYR 25 5.929 5.048 10.163 192 HA TYR 25 HA TYR 25 4.754 2.517 10.745 193 1HB TYR 25 1HB TYR 25 3.805 4.955 9.106 194 2HB TYR 25 2HB TYR 25 2.759 3.698 9.771 195 HD1 TYR 25 2HD TYR 25 3.438 3.195 12.477 196 HD2 TYR 25 1HD TYR 25 3.866 6.927 10.335 197 HE1 TYR 25 2HE TYR 25 3.956 4.353 14.584 198 HE2 TYR 25 1HE TYR 25 4.329 8.090 12.439 199 HH TYR 25 HH TYR 25 4.754 7.864 14.686 200 H CYS 26 H CYS 26 5.870 4.193 7.787 201 HA CYS 26 HA CYS 26 4.879 2.299 5.891 202 1HB CYS 26 1HB CYS 26 7.131 4.370 5.827 203 2HB CYS 26 2HB CYS 26 6.701 3.342 4.452 204 HG CYS 26 HG CYS 26 4.188 3.965 4.343 205 H ARG 27 H ARG 27 8.028 2.552 7.666 206 HA ARG 27 HA ARG 27 9.290 0.316 6.482 207 1HB ARG 27 1HB ARG 27 9.500 1.521 9.245 208 2HB ARG 27 2HB ARG 27 10.258 -0.035 8.882 209 1HG ARG 27 1HG ARG 27 11.474 0.936 6.996 210 2HG ARG 27 2HG ARG 27 10.738 2.520 7.338 211 1HD ARG 27 1HD ARG 27 11.729 2.511 9.580 212 2HD ARG 27 2HD ARG 27 12.306 0.855 9.350 213 HE ARG 27 HE ARG 27 13.234 2.818 7.359 214 1HH1 ARG 27 2HH2 ARG 27 14.178 0.899 10.241 215 2HH1 ARG 27 1HH2 ARG 27 15.860 1.191 10.002 216 1HH2 ARG 27 2HH1 ARG 27 15.522 3.094 7.086 217 2HH2 ARG 27 1HH1 ARG 27 16.600 2.551 8.353 218 H ARG 28 H ARG 28 7.153 0.353 9.382 219 HA ARG 28 HA ARG 28 7.217 -2.425 9.867 220 1HB ARG 28 1HB ARG 28 6.200 -0.960 11.398 221 2HB ARG 28 2HB ARG 28 5.004 -0.388 10.278 222 1HG ARG 28 1HG ARG 28 3.676 -2.377 10.361 223 2HG ARG 28 2HG ARG 28 5.032 -3.405 10.774 224 1HD ARG 28 1HD ARG 28 5.209 -2.290 12.998 225 2HD ARG 28 2HD ARG 28 3.723 -1.377 12.652 226 HE ARG 28 HE ARG 28 3.032 -4.031 12.278 227 1HH1 ARG 28 2HH2 ARG 28 4.509 -2.211 14.953 228 2HH1 ARG 28 1HH2 ARG 28 4.004 -3.330 16.175 229 1HH2 ARG 28 2HH1 ARG 28 2.328 -5.527 13.908 230 2HH2 ARG 28 1HH1 ARG 28 2.692 -5.210 15.560 231 H ALA 29 H ALA 29 4.770 -0.652 8.117 232 HA ALA 29 HA ALA 29 3.352 -2.873 7.093 233 1HB ALA 29 2HB ALA 29 3.807 -0.216 5.696 234 2HB ALA 29 3HB ALA 29 2.601 -1.415 5.212 235 3HB ALA 29 1HB ALA 29 2.468 -0.646 6.808 236 H GLN 30 H GLN 30 6.338 -1.403 5.769 237 HA GLN 30 HA GLN 30 6.481 -3.060 3.456 238 1HB GLN 30 1HB GLN 30 8.129 -1.013 4.780 239 2HB GLN 30 2HB GLN 30 9.140 -2.379 4.347 240 1HG GLN 30 1HG GLN 30 8.801 -2.151 2.120 241 2HG GLN 30 2HG GLN 30 7.164 -1.560 2.307 242 1HE2 GLN 30 2HE2 GLN 30 10.041 1.084 1.382 243 2HE2 GLN 30 1HE2 GLN 30 10.126 -0.659 1.243 244 H GLU 31 H GLU 31 7.834 -3.541 6.806 245 HA GLU 31 HA GLU 31 9.165 -5.923 5.920 246 1HB GLU 31 1HB GLU 31 8.786 -4.241 8.360 247 2HB GLU 31 2HB GLU 31 8.612 -5.914 8.775 248 1HG GLU 31 1HG GLU 31 11.014 -4.645 7.435 249 2HG GLU 31 2HG GLU 31 10.884 -5.125 9.128 250 H ILE 32 H ILE 32 6.124 -5.207 7.505 251 HA ILE 32 HA ILE 32 5.071 -7.798 7.922 252 HB ILE 32 HB ILE 32 4.098 -4.999 7.555 253 1HG1 ILE 32 1HG1 ILE 32 3.758 -7.202 9.641 254 2HG1 ILE 32 2HG1 ILE 32 4.821 -5.797 9.738 255 1HG2 ILE 32 1HG2 ILE 32 2.100 -7.214 7.458 256 2HG2 ILE 32 2HG2 ILE 32 1.775 -5.467 7.698 257 3HG2 ILE 32 3HG2 ILE 32 2.460 -5.999 6.188 258 1HD1 ILE 32 2HD1 ILE 32 2.735 -4.349 9.773 259 2HD1 ILE 32 3HD1 ILE 32 1.786 -5.847 9.943 260 3HD1 ILE 32 1HD1 ILE 32 2.967 -5.418 11.180 261 H LEU 33 H LEU 33 4.830 -5.634 5.026 262 HA LEU 33 HA LEU 33 3.314 -7.682 3.714 263 1HB LEU 33 1HB LEU 33 4.421 -5.008 2.799 264 2HB LEU 33 2HB LEU 33 3.843 -6.151 1.613 265 HG LEU 33 HG LEU 33 2.083 -4.971 3.836 266 1HD1 LEU 33 2HD1 LEU 33 2.158 -4.483 0.862 267 2HD1 LEU 33 3HD1 LEU 33 0.971 -3.864 2.008 268 3HD1 LEU 33 1HD1 LEU 33 2.666 -3.370 2.167 269 1HD2 LEU 33 3HD2 LEU 33 1.493 -6.932 1.556 270 2HD2 LEU 33 1HD2 LEU 33 1.269 -7.219 3.295 271 3HD2 LEU 33 2HD2 LEU 33 0.253 -6.039 2.462 272 H SER 34 H SER 34 6.736 -6.495 3.485 273 HA SER 34 HA SER 34 7.422 -8.071 1.227 274 1HB SER 34 1HB SER 34 8.577 -6.046 2.327 275 2HB SER 34 2HB SER 34 9.418 -7.233 3.339 276 HG SER 34 HG SER 34 10.218 -8.108 1.311 277 H GLN 35 H GLN 35 7.184 -8.940 4.701 278 HA GLN 35 HA GLN 35 8.791 -11.312 4.492 279 1HB GLN 35 1HB GLN 35 6.884 -10.134 6.514 280 2HB GLN 35 2HB GLN 35 6.984 -11.859 6.513 281 1HG GLN 35 1HG GLN 35 9.668 -11.280 6.457 282 2HG GLN 35 2HG GLN 35 9.042 -9.923 7.395 283 1HE2 GLN 35 2HE2 GLN 35 8.012 -12.056 10.160 284 2HE2 GLN 35 1HE2 GLN 35 7.989 -10.444 9.447 285 H LEU 36 H LEU 36 5.495 -10.683 3.422 286 HA LEU 36 HA LEU 36 4.609 -13.409 3.870 287 1HB LEU 36 1HB LEU 36 3.522 -11.035 2.309 288 2HB LEU 36 2HB LEU 36 2.732 -12.605 2.254 289 HG LEU 36 HG LEU 36 3.269 -11.069 4.842 290 1HD1 LEU 36 1HD1 LEU 36 1.640 -9.913 3.355 291 2HD1 LEU 36 2HD1 LEU 36 0.653 -11.398 3.333 292 3HD1 LEU 36 3HD1 LEU 36 0.920 -10.518 4.855 293 1HD2 LEU 36 1HD2 LEU 36 1.769 -13.635 4.190 294 2HD2 LEU 36 2HD2 LEU 36 3.059 -13.397 5.385 295 3HD2 LEU 36 3HD2 LEU 36 1.465 -12.713 5.675 296 HA PRO 37 HA PRO 37 6.261 -15.003 0.033 297 1HB PRO 37 1HB PRO 37 4.814 -17.267 -0.350 298 2HB PRO 37 2HB PRO 37 5.938 -17.068 1.023 299 1HG PRO 37 1HG PRO 37 2.925 -16.669 1.028 300 2HG PRO 37 2HG PRO 37 3.923 -17.602 2.180 301 1HD PRO 37 1HD PRO 37 3.136 -15.028 2.668 302 2HD PRO 37 2HD PRO 37 4.700 -15.678 3.246 303 H ILE 38 H ILE 38 5.445 -12.984 -1.148 304 HA ILE 38 HA ILE 38 2.815 -13.381 -2.537 305 HB ILE 38 HB ILE 38 4.484 -10.994 -1.605 306 1HG1 ILE 38 1HG1 ILE 38 1.462 -11.468 -1.527 307 2HG1 ILE 38 2HG1 ILE 38 2.562 -12.086 -0.298 308 1HG2 ILE 38 3HG2 ILE 38 2.318 -10.735 -3.760 309 2HG2 ILE 38 1HG2 ILE 38 3.061 -9.395 -2.872 310 3HG2 ILE 38 2HG2 ILE 38 4.047 -10.355 -3.935 311 1HD1 ILE 38 2HD1 ILE 38 3.364 -9.729 0.108 312 2HD1 ILE 38 3HD1 ILE 38 1.994 -9.177 -0.896 313 3HD1 ILE 38 1HD1 ILE 38 1.708 -10.077 0.596 314 H LYS 39 H LYS 39 2.758 -13.170 -4.818 315 HA LYS 39 HA LYS 39 4.733 -14.167 -6.336 316 1HB LYS 39 1HB LYS 39 2.330 -12.606 -6.845 317 2HB LYS 39 2HB LYS 39 3.550 -12.480 -8.104 318 1HG LYS 39 1HG LYS 39 2.839 -15.228 -7.084 319 2HG LYS 39 2HG LYS 39 1.689 -14.378 -8.106 320 1HD LYS 39 1HD LYS 39 4.549 -15.079 -8.782 321 2HD LYS 39 2HD LYS 39 3.087 -15.875 -9.381 322 1HE LYS 39 1HE LYS 39 2.354 -13.745 -10.469 323 2HE LYS 39 2HE LYS 39 3.849 -12.962 -9.933 324 1HZ LYS 39 2HZ LYS 39 5.098 -14.482 -11.264 325 2HZ LYS 39 3HZ LYS 39 3.682 -15.190 -11.833 326 3HZ LYS 39 1HZ LYS 39 4.059 -13.610 -12.147 327 H GLN 40 H GLN 40 6.734 -13.404 -7.100 328 HA GLN 40 HA GLN 40 7.739 -10.979 -5.944 329 1HB GLN 40 1HB GLN 40 9.154 -12.988 -6.432 330 2HB GLN 40 2HB GLN 40 8.900 -12.719 -8.158 331 1HG GLN 40 1HG GLN 40 11.025 -11.870 -7.699 332 2HG GLN 40 2HG GLN 40 10.028 -10.449 -7.894 333 1HE2 GLN 40 2HE2 GLN 40 12.360 -10.143 -4.891 334 2HE2 GLN 40 1HE2 GLN 40 12.611 -10.613 -6.564 335 H GLY 41 H GLY 41 8.030 -8.978 -6.830 336 1HA GLY 41 1HA GLY 41 8.046 -7.325 -8.466 337 2HA GLY 41 2HA GLY 41 7.335 -8.430 -9.637 338 H LEU 42 H LEU 42 5.190 -9.085 -7.155 339 HA LEU 42 HA LEU 42 3.345 -7.250 -8.291 340 1HB LEU 42 1HB LEU 42 3.115 -8.998 -5.816 341 2HB LEU 42 2HB LEU 42 1.842 -8.008 -6.478 342 HG LEU 42 HG LEU 42 3.011 -10.506 -7.582 343 1HD1 LEU 42 3HD1 LEU 42 1.039 -10.514 -6.056 344 2HD1 LEU 42 1HD1 LEU 42 0.159 -9.509 -7.232 345 3HD1 LEU 42 2HD1 LEU 42 0.639 -11.157 -7.668 346 1HD2 LEU 42 3HD2 LEU 42 1.462 -8.531 -9.240 347 2HD2 LEU 42 1HD2 LEU 42 3.079 -9.204 -9.557 348 3HD2 LEU 42 2HD2 LEU 42 1.662 -10.254 -9.644 349 H LEU 43 H LEU 43 5.331 -7.191 -5.341 350 HA LEU 43 HA LEU 43 3.599 -5.213 -4.084 351 1HB LEU 43 1HB LEU 43 5.138 -7.233 -3.027 352 2HB LEU 43 2HB LEU 43 6.224 -5.880 -2.870 353 HG LEU 43 HG LEU 43 5.220 -5.808 -0.834 354 1HD1 LEU 43 3HD1 LEU 43 4.761 -3.602 -1.949 355 2HD1 LEU 43 1HD1 LEU 43 3.113 -4.151 -2.301 356 3HD1 LEU 43 2HD1 LEU 43 3.664 -3.996 -0.632 357 1HD2 LEU 43 3HD2 LEU 43 2.790 -6.990 -2.153 358 2HD2 LEU 43 1HD2 LEU 43 3.745 -7.551 -0.802 359 3HD2 LEU 43 2HD2 LEU 43 2.648 -6.205 -0.554 360 H GLU 44 H GLU 44 3.831 -3.054 -4.607 361 HA GLU 44 HA GLU 44 6.554 -2.063 -5.296 362 1HB GLU 44 1HB GLU 44 4.920 -2.170 -7.215 363 2HB GLU 44 2HB GLU 44 3.903 -0.989 -6.350 364 1HG GLU 44 1HG GLU 44 5.899 0.546 -6.223 365 2HG GLU 44 2HG GLU 44 6.833 -0.665 -7.098 366 H PHE 45 H PHE 45 7.329 -0.614 -3.895 367 HA PHE 45 HA PHE 45 5.479 0.798 -2.029 368 1HB PHE 45 1HB PHE 45 8.506 0.584 -1.900 369 2HB PHE 45 2HB PHE 45 7.415 1.150 -0.642 370 HD1 PHE 45 1HD PHE 45 5.381 -0.837 -0.282 371 HD2 PHE 45 2HD PHE 45 9.523 -1.448 -1.294 372 HE1 PHE 45 1HE PHE 45 5.291 -3.105 0.703 373 HE2 PHE 45 2HE PHE 45 9.410 -3.736 -0.351 374 HZ PHE 45 HZ PHE 45 7.294 -4.563 0.672 375 H VAL 46 H VAL 46 5.082 2.969 -2.439 376 HA VAL 46 HA VAL 46 6.616 4.257 -4.623 377 HB VAL 46 HB VAL 46 3.640 4.318 -3.993 378 1HG1 VAL 46 1HG1 VAL 46 5.337 5.512 -6.213 379 2HG1 VAL 46 2HG1 VAL 46 3.576 5.348 -6.330 380 3HG1 VAL 46 3HG1 VAL 46 4.273 6.358 -5.062 381 1HG2 VAL 46 2HG2 VAL 46 5.127 2.843 -6.204 382 2HG2 VAL 46 3HG2 VAL 46 4.233 2.100 -4.855 383 3HG2 VAL 46 1HG2 VAL 46 3.365 3.021 -6.078 384 H ASP 47 H ASP 47 7.818 5.848 -3.783 385 HA ASP 47 HA ASP 47 7.327 7.028 -1.220 386 1HB ASP 47 1HB ASP 47 9.561 6.425 -2.080 387 2HB ASP 47 2HB ASP 47 9.429 7.743 -3.244 388 H ILE 48 H ILE 48 5.695 8.396 -1.026 389 HA ILE 48 HA ILE 48 4.958 10.410 -2.923 390 HB ILE 48 HB ILE 48 3.439 11.209 -1.324 391 1HG1 ILE 48 1HG1 ILE 48 4.669 9.588 0.934 392 2HG1 ILE 48 2HG1 ILE 48 5.017 11.281 0.671 393 1HG2 ILE 48 2HG2 ILE 48 3.073 8.882 -2.330 394 2HG2 ILE 48 3HG2 ILE 48 3.596 8.197 -0.796 395 3HG2 ILE 48 1HG2 ILE 48 2.154 9.198 -0.843 396 1HD1 ILE 48 1HD1 ILE 48 2.575 11.795 0.856 397 2HD1 ILE 48 2HD1 ILE 48 2.282 10.095 1.267 398 3HD1 ILE 48 3HD1 ILE 48 3.280 11.101 2.330 399 H THR 49 H THR 49 7.676 10.320 -0.789 400 HA THR 49 HA THR 49 7.960 13.263 -1.009 401 HB THR 49 HB THR 49 7.548 12.487 1.275 402 HG1 THR 49 HG1 THR 49 10.093 13.527 0.714 403 1HG2 THR 49 2HG2 THR 49 10.146 10.959 1.029 404 2HG2 THR 49 3HG2 THR 49 9.415 11.451 2.571 405 3HG2 THR 49 1HG2 THR 49 8.539 10.368 1.495 406 H ALA 50 H ALA 50 8.903 10.658 -2.691 407 HA ALA 50 HA ALA 50 11.712 11.000 -2.939 408 1HB ALA 50 2HB ALA 50 9.652 10.316 -5.084 409 2HB ALA 50 3HB ALA 50 11.408 10.292 -5.316 410 3HB ALA 50 1HB ALA 50 10.668 9.207 -4.144 411 H THR 51 H THR 51 9.026 12.692 -4.668 412 HA THR 51 HA THR 51 10.490 15.171 -4.381 413 HB THR 51 HB THR 51 11.215 13.710 -6.610 414 HG1 THR 51 HG1 THR 51 11.444 16.498 -6.117 415 1HG2 THR 51 1HG2 THR 51 9.176 14.378 -7.784 416 2HG2 THR 51 2HG2 THR 51 9.561 16.097 -7.462 417 3HG2 THR 51 3HG2 THR 51 10.643 15.107 -8.472 418 H ASN 52 H ASN 52 7.688 13.496 -5.802 419 HA ASN 52 HA ASN 52 6.464 15.399 -7.157 420 1HB ASN 52 1HB ASN 52 5.517 13.176 -6.985 421 2HB ASN 52 2HB ASN 52 5.026 13.457 -5.314 422 1HD2 ASN 52 2HD2 ASN 52 2.348 15.732 -6.349 423 2HD2 ASN 52 1HD2 ASN 52 3.146 15.101 -4.930 424 H HIS 53 H HIS 53 5.583 14.964 -3.779 425 HA HIS 53 HA HIS 53 5.382 17.123 -2.413 426 1HB HIS 53 1HB HIS 53 3.394 17.611 -4.612 427 2HB HIS 53 2HB HIS 53 2.981 17.989 -2.958 428 HD1 HIS 53 1HD HIS 53 5.913 19.125 -2.056 429 HD2 HIS 53 2HD HIS 53 3.601 20.163 -5.435 430 HE1 HIS 53 1HE HIS 53 6.694 21.441 -2.790 431 H THR 54 H THR 54 5.104 15.855 -0.693 432 HA THR 54 HA THR 54 3.542 13.591 -0.644 433 HB THR 54 HB THR 54 4.440 13.288 1.256 434 HG1 THR 54 HG1 THR 54 3.060 14.525 2.494 435 1HG2 THR 54 1HG2 THR 54 6.368 14.298 0.164 436 2HG2 THR 54 2HG2 THR 54 6.019 15.818 1.017 437 3HG2 THR 54 3HG2 THR 54 6.444 14.358 1.931 438 H ASN 55 H ASN 55 2.880 16.722 0.948 439 HA ASN 55 HA ASN 55 0.331 16.097 1.683 440 1HB ASN 55 1HB ASN 55 1.494 18.188 2.367 441 2HB ASN 55 2HB ASN 55 0.850 18.951 0.892 442 1HD2 ASN 55 2HD2 ASN 55 -2.369 19.305 2.457 443 2HD2 ASN 55 1HD2 ASN 55 -1.301 19.840 1.171 444 H GLU 56 H GLU 56 1.161 17.130 -1.681 445 HA GLU 56 HA GLU 56 -1.579 17.439 -2.514 446 1HB GLU 56 1HB GLU 56 1.109 17.164 -3.760 447 2HB GLU 56 2HB GLU 56 -0.154 16.452 -4.727 448 1HG GLU 56 1HG GLU 56 -0.388 19.278 -3.625 449 2HG GLU 56 2HG GLU 56 0.411 18.903 -5.154 450 H ILE 57 H ILE 57 0.655 14.649 -2.574 451 HA ILE 57 HA ILE 57 -1.208 12.832 -3.803 452 HB ILE 57 HB ILE 57 1.409 12.600 -2.251 453 1HG1 ILE 57 1HG1 ILE 57 0.799 11.431 -4.987 454 2HG1 ILE 57 2HG1 ILE 57 0.988 13.187 -4.841 455 1HG2 ILE 57 2HG2 ILE 57 -0.426 10.313 -3.097 456 2HG2 ILE 57 3HG2 ILE 57 1.312 10.096 -2.933 457 3HG2 ILE 57 1HG2 ILE 57 0.350 10.577 -1.523 458 1HD1 ILE 57 2HD1 ILE 57 3.077 11.176 -3.934 459 2HD1 ILE 57 3HD1 ILE 57 3.105 12.126 -5.435 460 3HD1 ILE 57 1HD1 ILE 57 3.202 12.944 -3.862 461 H GLN 58 H GLN 58 -0.414 13.680 -0.491 462 HA GLN 58 HA GLN 58 -1.712 11.696 1.039 463 1HB GLN 58 1HB GLN 58 -0.937 14.607 1.299 464 2HB GLN 58 2HB GLN 58 -1.990 13.962 2.501 465 1HG GLN 58 1HG GLN 58 0.782 12.889 1.886 466 2HG GLN 58 2HG GLN 58 0.386 13.984 3.204 467 1HE2 GLN 58 2HE2 GLN 58 -1.790 11.098 4.491 468 2HE2 GLN 58 1HE2 GLN 58 -2.111 12.762 4.026 469 H ASP 59 H ASP 59 -2.846 14.920 -0.133 470 HA ASP 59 HA ASP 59 -5.472 14.745 0.912 471 1HB ASP 59 1HB ASP 59 -3.951 16.703 -0.262 472 2HB ASP 59 2HB ASP 59 -4.999 16.330 -1.603 473 H TYR 60 H TYR 60 -4.104 14.087 -2.241 474 HA TYR 60 HA TYR 60 -6.481 13.265 -3.557 475 1HB TYR 60 1HB TYR 60 -4.149 13.629 -4.544 476 2HB TYR 60 2HB TYR 60 -3.800 11.956 -4.097 477 HD1 TYR 60 2HD TYR 60 -5.376 10.097 -5.021 478 HD2 TYR 60 1HD TYR 60 -5.420 14.173 -6.495 479 HE1 TYR 60 2HE TYR 60 -6.784 9.409 -6.928 480 HE2 TYR 60 1HE TYR 60 -6.795 13.466 -8.396 481 HH TYR 60 HH TYR 60 -8.098 11.770 -9.280 482 H LEU 61 H LEU 61 -4.207 11.259 -1.615 483 HA LEU 61 HA LEU 61 -5.677 8.810 -1.949 484 1HB LEU 61 1HB LEU 61 -3.761 9.730 0.223 485 2HB LEU 61 2HB LEU 61 -4.453 8.119 0.188 486 HG LEU 61 HG LEU 61 -2.795 9.268 -2.103 487 1HD1 LEU 61 1HD1 LEU 61 -1.456 9.203 -0.020 488 2HD1 LEU 61 2HD1 LEU 61 -1.882 7.494 0.206 489 3HD1 LEU 61 3HD1 LEU 61 -0.909 8.004 -1.197 490 1HD2 LEU 61 3HD2 LEU 61 -3.595 6.433 -1.370 491 2HD2 LEU 61 1HD2 LEU 61 -4.227 7.385 -2.729 492 3HD2 LEU 61 2HD2 LEU 61 -2.525 6.908 -2.711 493 H GLN 62 H GLN 62 -5.937 11.468 0.419 494 HA GLN 62 HA GLN 62 -7.861 10.286 2.118 495 1HB GLN 62 1HB GLN 62 -6.595 12.431 2.492 496 2HB GLN 62 2HB GLN 62 -7.655 13.243 1.367 497 1HG GLN 62 1HG GLN 62 -8.930 11.707 3.610 498 2HG GLN 62 2HG GLN 62 -8.095 13.203 3.997 499 1HE2 GLN 62 2HE2 GLN 62 -11.160 14.856 3.467 500 2HE2 GLN 62 1HE2 GLN 62 -10.128 14.166 4.686 501 H GLN 63 H GLN 63 -8.324 12.294 -0.814 502 HA GLN 63 HA GLN 63 -11.138 12.112 -0.845 503 1HB GLN 63 1HB GLN 63 -9.454 13.600 -2.184 504 2HB GLN 63 2HB GLN 63 -9.376 12.274 -3.324 505 1HG GLN 63 1HG GLN 63 -10.993 13.834 -4.156 506 2HG GLN 63 2HG GLN 63 -11.883 12.420 -3.603 507 1HE2 GLN 63 2HE2 GLN 63 -12.342 16.065 -1.697 508 2HE2 GLN 63 1HE2 GLN 63 -10.860 15.754 -2.565 509 H LEU 64 H LEU 64 -8.694 10.229 -2.560 510 HA LEU 64 HA LEU 64 -10.509 8.661 -4.059 511 1HB LEU 64 1HB LEU 64 -8.362 8.939 -4.975 512 2HB LEU 64 2HB LEU 64 -7.573 8.516 -3.461 513 HG LEU 64 HG LEU 64 -8.249 6.115 -3.764 514 1HD1 LEU 64 1HD1 LEU 64 -10.126 6.535 -5.394 515 2HD1 LEU 64 2HD1 LEU 64 -8.926 7.042 -6.594 516 3HD1 LEU 64 3HD1 LEU 64 -8.927 5.375 -5.983 517 1HD2 LEU 64 1HD2 LEU 64 -6.527 7.349 -5.949 518 2HD2 LEU 64 2HD2 LEU 64 -5.984 6.917 -4.315 519 3HD2 LEU 64 3HD2 LEU 64 -6.513 5.657 -5.447 520 H THR 65 H THR 65 -8.827 7.904 -0.947 521 HA THR 65 HA THR 65 -10.182 5.250 -0.960 522 HB THR 65 HB THR 65 -8.486 4.457 0.501 523 HG1 THR 65 HG1 THR 65 -7.438 7.108 0.508 524 1HG2 THR 65 3HG2 THR 65 -7.981 4.467 -1.918 525 2HG2 THR 65 1HG2 THR 65 -7.127 6.026 -1.720 526 3HG2 THR 65 2HG2 THR 65 -6.531 4.576 -0.905 527 H GLY 66 H GLY 66 -10.343 8.311 0.761 528 1HA GLY 66 1HA GLY 66 -12.161 8.756 2.173 529 2HA GLY 66 2HA GLY 66 -12.343 7.047 2.528 530 H ALA 67 H ALA 67 -8.998 7.863 2.671 531 HA ALA 67 HA ALA 67 -8.991 9.087 5.282 532 1HB ALA 67 1HB ALA 67 -7.970 6.257 4.913 533 2HB ALA 67 2HB ALA 67 -7.704 7.264 6.354 534 3HB ALA 67 3HB ALA 67 -9.356 6.739 5.912 535 H ARG 68 H ARG 68 -6.918 9.918 5.728 536 HA ARG 68 HA ARG 68 -5.213 10.049 3.298 537 1HB ARG 68 1HB ARG 68 -4.544 12.103 3.890 538 2HB ARG 68 2HB ARG 68 -6.135 12.078 4.642 539 1HG ARG 68 1HG ARG 68 -5.057 11.631 6.859 540 2HG ARG 68 2HG ARG 68 -3.474 11.721 6.076 541 1HD ARG 68 1HD ARG 68 -3.732 13.915 6.854 542 2HD ARG 68 2HD ARG 68 -4.221 14.036 5.173 543 HE ARG 68 HE ARG 68 -6.328 14.608 5.826 544 1HH1 ARG 68 2HH2 ARG 68 -4.592 13.443 8.747 545 2HH1 ARG 68 1HH2 ARG 68 -5.962 13.721 9.774 546 1HH2 ARG 68 2HH1 ARG 68 -8.042 15.006 7.223 547 2HH2 ARG 68 1HH1 ARG 68 -7.914 14.745 8.922 548 H THR 69 H THR 69 -5.073 8.071 6.082 549 HA THR 69 HA THR 69 -2.384 8.588 6.881 550 HB THR 69 HB THR 69 -2.749 6.111 7.766 551 HG1 THR 69 HG1 THR 69 -5.252 6.055 8.037 552 1HG2 THR 69 3HG2 THR 69 -4.476 8.429 8.698 553 2HG2 THR 69 1HG2 THR 69 -4.112 6.975 9.655 554 3HG2 THR 69 2HG2 THR 69 -2.806 8.078 9.213 555 H VAL 70 H VAL 70 -0.553 7.860 6.283 556 HA VAL 70 HA VAL 70 -0.316 5.782 4.194 557 HB VAL 70 HB VAL 70 2.188 6.529 4.349 558 1HG1 VAL 70 2HG1 VAL 70 0.765 6.790 2.351 559 2HG1 VAL 70 3HG1 VAL 70 0.147 8.327 2.982 560 3HG1 VAL 70 1HG1 VAL 70 1.865 8.153 2.563 561 1HG2 VAL 70 2HG2 VAL 70 1.862 8.057 6.320 562 2HG2 VAL 70 3HG2 VAL 70 2.578 8.865 4.912 563 3HG2 VAL 70 1HG2 VAL 70 0.874 9.117 5.292 564 HA PRO 71 HA PRO 71 1.774 4.317 3.789 565 1HB PRO 71 1HB PRO 71 1.805 1.565 4.059 566 2HB PRO 71 2HB PRO 71 3.180 2.611 4.486 567 1HG PRO 71 1HG PRO 71 1.067 1.450 6.303 568 2HG PRO 71 2HG PRO 71 2.836 1.578 6.582 569 1HD PRO 71 1HD PRO 71 1.091 3.315 7.688 570 2HD PRO 71 2HD PRO 71 2.723 3.812 7.154 571 H ARG 72 H ARG 72 0.373 3.779 2.096 572 HA ARG 72 HA ARG 72 -2.392 3.000 2.933 573 1HB ARG 72 1HB ARG 72 -1.847 5.395 1.980 574 2HB ARG 72 2HB ARG 72 -1.725 4.579 0.427 575 1HG ARG 72 1HG ARG 72 -3.986 5.278 0.515 576 2HG ARG 72 2HG ARG 72 -4.034 3.572 0.978 577 1HD ARG 72 1HD ARG 72 -3.795 4.491 3.414 578 2HD ARG 72 2HD ARG 72 -4.257 6.056 2.720 579 HE ARG 72 HE ARG 72 -6.296 4.610 1.865 580 1HH1 ARG 72 2HH2 ARG 72 -4.854 5.027 5.057 581 2HH1 ARG 72 1HH2 ARG 72 -6.113 4.268 5.951 582 1HH2 ARG 72 2HH1 ARG 72 -8.039 3.419 3.049 583 2HH2 ARG 72 1HH1 ARG 72 -8.136 3.735 4.744 584 H VAL 73 H VAL 73 -2.340 0.777 2.677 585 HA VAL 73 HA VAL 73 -0.985 -0.435 0.376 586 HB VAL 73 HB VAL 73 -2.709 -1.578 2.624 587 1HG1 VAL 73 1HG1 VAL 73 -1.198 -3.091 0.429 588 2HG1 VAL 73 2HG1 VAL 73 -1.949 -3.831 1.856 589 3HG1 VAL 73 3HG1 VAL 73 -2.953 -3.065 0.645 590 1HG2 VAL 73 1HG2 VAL 73 0.293 -1.690 2.104 591 2HG2 VAL 73 2HG2 VAL 73 -0.530 -0.884 3.459 592 3HG2 VAL 73 3HG2 VAL 73 -0.549 -2.644 3.317 593 H PHE 74 H PHE 74 -1.905 -0.826 -1.534 594 HA PHE 74 HA PHE 74 -4.822 -1.269 -1.743 595 1HB PHE 74 1HB PHE 74 -2.818 -0.303 -3.811 596 2HB PHE 74 2HB PHE 74 -4.389 -0.971 -4.210 597 HD1 PHE 74 2HD PHE 74 -2.798 1.814 -2.236 598 HD2 PHE 74 1HD PHE 74 -6.282 0.432 -4.387 599 HE1 PHE 74 2HE PHE 74 -3.750 4.110 -2.218 600 HE2 PHE 74 1HE PHE 74 -7.179 2.726 -4.421 601 HZ PHE 74 HZ PHE 74 -5.882 4.579 -3.381 602 H ILE 75 H ILE 75 -5.086 -3.453 -1.659 603 HA ILE 75 HA ILE 75 -3.074 -5.215 -2.968 604 HB ILE 75 HB ILE 75 -4.927 -5.648 -0.701 605 1HG1 ILE 75 1HG1 ILE 75 -3.350 -7.670 -0.434 606 2HG1 ILE 75 2HG1 ILE 75 -2.412 -6.955 -1.759 607 1HG2 ILE 75 3HG2 ILE 75 -4.670 -7.781 -2.863 608 2HG2 ILE 75 1HG2 ILE 75 -5.320 -8.050 -1.245 609 3HG2 ILE 75 2HG2 ILE 75 -6.181 -6.995 -2.359 610 1HD1 ILE 75 3HD1 ILE 75 -2.036 -5.031 -0.341 611 2HD1 ILE 75 1HD1 ILE 75 -2.943 -5.830 0.972 612 3HD1 ILE 75 2HD1 ILE 75 -1.430 -6.538 0.367 613 H GLY 76 H GLY 76 -3.419 -5.048 -5.116 614 1HA GLY 76 1HA GLY 76 -4.417 -5.006 -7.126 615 2HA GLY 76 2HA GLY 76 -5.587 -6.130 -6.424 616 H LYS 77 H LYS 77 -4.856 -2.654 -6.551 617 HA LYS 77 HA LYS 77 -6.125 -0.802 -6.322 618 1HB LYS 77 1HB LYS 77 -6.881 -2.244 -8.703 619 2HB LYS 77 2HB LYS 77 -8.296 -1.428 -8.102 620 1HG LYS 77 1HG LYS 77 -6.715 0.674 -7.862 621 2HG LYS 77 2HG LYS 77 -5.643 -0.249 -8.932 622 1HD LYS 77 1HD LYS 77 -7.543 -0.408 -10.579 623 2HD LYS 77 2HD LYS 77 -8.474 0.665 -9.507 624 1HE LYS 77 1HE LYS 77 -6.503 2.317 -9.683 625 2HE LYS 77 2HE LYS 77 -5.871 1.277 -10.972 626 1HZ LYS 77 3HZ LYS 77 -8.164 1.624 -12.010 627 2HZ LYS 77 1HZ LYS 77 -8.358 2.853 -10.960 628 3HZ LYS 77 2HZ LYS 77 -7.112 2.922 -12.015 629 H ASP 78 H ASP 78 -7.061 -3.082 -4.377 630 HA ASP 78 HA ASP 78 -9.441 -1.525 -3.508 631 1HB ASP 78 1HB ASP 78 -9.873 -3.965 -3.821 632 2HB ASP 78 2HB ASP 78 -8.600 -4.316 -2.644 633 H CYS 79 H CYS 79 -8.682 0.025 -2.206 634 HA CYS 79 HA CYS 79 -6.216 -0.180 -0.754 635 1HB CYS 79 1HB CYS 79 -7.216 1.958 -1.552 636 2HB CYS 79 2HB CYS 79 -8.467 1.804 -0.304 637 HG CYS 79 HG CYS 79 -5.244 1.372 0.283 638 H ILE 80 H ILE 80 -5.989 -1.704 0.948 639 HA ILE 80 HA ILE 80 -8.435 -2.616 2.180 640 HB ILE 80 HB ILE 80 -7.142 -4.329 3.094 641 1HG1 ILE 80 1HG1 ILE 80 -4.664 -4.545 2.483 642 2HG1 ILE 80 2HG1 ILE 80 -4.673 -2.793 2.252 643 1HG2 ILE 80 1HG2 ILE 80 -7.806 -4.407 0.690 644 2HG2 ILE 80 2HG2 ILE 80 -6.162 -3.900 0.263 645 3HG2 ILE 80 3HG2 ILE 80 -6.432 -5.438 1.114 646 1HD1 ILE 80 2HD1 ILE 80 -5.656 -4.089 4.826 647 2HD1 ILE 80 3HD1 ILE 80 -3.941 -3.741 4.539 648 3HD1 ILE 80 1HD1 ILE 80 -5.101 -2.420 4.580 649 H GLY 81 H GLY 81 -6.155 -0.168 2.929 650 1HA GLY 81 1HA GLY 81 -7.220 1.222 4.828 651 2HA GLY 81 2HA GLY 81 -6.838 -0.210 5.796 652 H GLY 82 H GLY 82 -5.657 1.527 6.901 653 1HA GLY 82 1HA GLY 82 -2.943 2.095 5.858 654 2HA GLY 82 2HA GLY 82 -3.722 2.891 7.237 655 H CYS 83 H CYS 83 -1.839 2.303 8.656 656 HA CYS 83 HA CYS 83 -0.684 -0.279 8.543 657 1HB CYS 83 1HB CYS 83 -0.286 2.239 10.076 658 2HB CYS 83 2HB CYS 83 -0.025 0.780 11.047 659 HG CYS 83 HG CYS 83 1.563 -0.435 9.384 660 H SER 84 H SER 84 -3.207 1.211 10.637 661 HA SER 84 HA SER 84 -3.030 -0.788 12.525 662 1HB SER 84 1HB SER 84 -5.485 0.878 11.808 663 2HB SER 84 2HB SER 84 -5.271 -0.016 13.321 664 HG SER 84 HG SER 84 -4.788 2.161 13.516 665 H ASP 85 H ASP 85 -5.224 -0.447 9.761 666 HA ASP 85 HA ASP 85 -6.744 -2.854 10.084 667 1HB ASP 85 1HB ASP 85 -6.280 -0.786 7.974 668 2HB ASP 85 2HB ASP 85 -6.722 -2.373 7.367 669 H LEU 86 H LEU 86 -3.837 -2.032 8.111 670 HA LEU 86 HA LEU 86 -3.413 -4.555 7.043 671 1HB LEU 86 1HB LEU 86 -2.254 -2.480 6.357 672 2HB LEU 86 2HB LEU 86 -1.357 -2.484 7.874 673 HG LEU 86 HG LEU 86 -0.325 -4.692 7.212 674 1HD1 LEU 86 1HD1 LEU 86 -1.690 -4.126 4.540 675 2HD1 LEU 86 2HD1 LEU 86 -0.425 -5.343 4.820 676 3HD1 LEU 86 3HD1 LEU 86 -1.992 -5.508 5.611 677 1HD2 LEU 86 2HD2 LEU 86 0.067 -2.274 5.418 678 2HD2 LEU 86 3HD2 LEU 86 0.899 -2.650 6.924 679 3HD2 LEU 86 1HD2 LEU 86 1.186 -3.659 5.507 680 H VAL 87 H VAL 87 -2.424 -3.464 10.441 681 HA VAL 87 HA VAL 87 -0.950 -5.810 10.968 682 HB VAL 87 HB VAL 87 -2.299 -3.620 12.579 683 1HG1 VAL 87 2HG1 VAL 87 -1.013 -6.145 13.626 684 2HG1 VAL 87 3HG1 VAL 87 -1.281 -4.671 14.599 685 3HG1 VAL 87 1HG1 VAL 87 -2.665 -5.549 13.927 686 1HG2 VAL 87 1HG2 VAL 87 0.594 -4.531 12.318 687 2HG2 VAL 87 2HG2 VAL 87 -0.124 -3.080 11.599 688 3HG2 VAL 87 3HG2 VAL 87 0.014 -3.195 13.343 689 H SER 88 H SER 88 -4.522 -4.971 11.457 690 HA SER 88 HA SER 88 -5.011 -7.475 12.786 691 1HB SER 88 1HB SER 88 -6.705 -5.343 11.560 692 2HB SER 88 2HB SER 88 -7.348 -6.971 11.345 693 HG SER 88 HG SER 88 -7.740 -5.691 13.483 694 H LEU 89 H LEU 89 -5.305 -6.456 9.345 695 HA LEU 89 HA LEU 89 -6.252 -8.988 8.457 696 1HB LEU 89 1HB LEU 89 -4.873 -6.715 6.972 697 2HB LEU 89 2HB LEU 89 -5.409 -8.204 6.221 698 HG LEU 89 HG LEU 89 -7.739 -7.708 7.235 699 1HD1 LEU 89 1HD1 LEU 89 -6.578 -4.909 7.063 700 2HD1 LEU 89 2HD1 LEU 89 -8.307 -5.285 7.114 701 3HD1 LEU 89 3HD1 LEU 89 -7.304 -5.704 8.495 702 1HD2 LEU 89 3HD2 LEU 89 -6.597 -6.244 4.817 703 2HD2 LEU 89 1HD2 LEU 89 -7.246 -7.902 4.846 704 3HD2 LEU 89 2HD2 LEU 89 -8.320 -6.536 5.152 705 H GLN 90 H GLN 90 -2.882 -7.844 9.097 706 HA GLN 90 HA GLN 90 -1.706 -10.230 7.974 707 1HB GLN 90 1HB GLN 90 -0.456 -8.156 8.208 708 2HB GLN 90 2HB GLN 90 -0.654 -8.145 9.943 709 1HG GLN 90 1HG GLN 90 0.557 -10.669 8.989 710 2HG GLN 90 2HG GLN 90 1.442 -9.267 8.431 711 1HE2 GLN 90 2HE2 GLN 90 3.291 -9.631 11.452 712 2HE2 GLN 90 1HE2 GLN 90 3.267 -9.882 9.706 713 H GLN 91 H GLN 91 -2.325 -9.202 11.425 714 HA GLN 91 HA GLN 91 -1.343 -11.461 12.619 715 1HB GLN 91 1HB GLN 91 -2.476 -8.880 13.310 716 2HB GLN 91 2HB GLN 91 -3.402 -10.054 14.172 717 1HG GLN 91 1HG GLN 91 -0.735 -10.855 14.557 718 2HG GLN 91 2HG GLN 91 -0.662 -9.101 14.554 719 1HE2 GLN 91 2HE2 GLN 91 -2.485 -11.026 17.693 720 2HE2 GLN 91 1HE2 GLN 91 -1.967 -11.932 16.277 721 H SER 92 H SER 92 -4.767 -10.514 12.042 722 HA SER 92 HA SER 92 -5.908 -13.027 12.941 723 1HB SER 92 1HB SER 92 -6.996 -10.662 12.833 724 2HB SER 92 2HB SER 92 -7.165 -10.957 11.097 725 HG SER 92 HG SER 92 -9.013 -11.593 12.116 726 H GLY 93 H GLY 93 -4.492 -11.723 9.969 727 1HA GLY 93 1HA GLY 93 -3.644 -13.010 8.267 728 2HA GLY 93 2HA GLY 93 -4.594 -14.393 8.796 729 H GLU 94 H GLU 94 -6.539 -11.417 8.406 730 HA GLU 94 HA GLU 94 -7.972 -12.764 6.305 731 1HB GLU 94 1HB GLU 94 -8.915 -11.255 8.062 732 2HB GLU 94 2HB GLU 94 -8.105 -9.886 7.332 733 1HG GLU 94 1HG GLU 94 -9.869 -11.478 5.510 734 2HG GLU 94 2HG GLU 94 -10.683 -10.715 6.849 735 H LEU 95 H LEU 95 -5.270 -10.603 6.343 736 HA LEU 95 HA LEU 95 -5.395 -9.543 3.726 737 1HB LEU 95 1HB LEU 95 -3.633 -9.115 5.737 738 2HB LEU 95 2HB LEU 95 -2.767 -10.407 4.994 739 HG LEU 95 HG LEU 95 -2.859 -9.040 2.807 740 1HD1 LEU 95 2HD1 LEU 95 -3.874 -6.884 4.719 741 2HD1 LEU 95 3HD1 LEU 95 -3.255 -6.590 3.091 742 3HD1 LEU 95 1HD1 LEU 95 -4.737 -7.521 3.304 743 1HD2 LEU 95 2HD2 LEU 95 -1.513 -7.853 5.272 744 2HD2 LEU 95 3HD2 LEU 95 -0.872 -9.129 4.219 745 3HD2 LEU 95 1HD2 LEU 95 -1.091 -7.497 3.581 746 H LEU 96 H LEU 96 -4.513 -12.781 4.869 747 HA LEU 96 HA LEU 96 -2.800 -13.386 2.632 748 1HB LEU 96 1HB LEU 96 -4.153 -15.052 4.798 749 2HB LEU 96 2HB LEU 96 -3.268 -15.818 3.504 750 HG LEU 96 HG LEU 96 -1.993 -15.566 5.614 751 1HD1 LEU 96 1HD1 LEU 96 -0.920 -15.834 3.388 752 2HD1 LEU 96 2HD1 LEU 96 -0.686 -14.071 3.304 753 3HD1 LEU 96 3HD1 LEU 96 0.086 -15.043 4.587 754 1HD2 LEU 96 1HD2 LEU 96 -2.732 -13.280 6.282 755 2HD2 LEU 96 2HD2 LEU 96 -0.970 -13.460 6.238 756 3HD2 LEU 96 3HD2 LEU 96 -1.785 -12.598 4.936 757 H THR 97 H THR 97 -6.246 -14.231 3.405 758 HA THR 97 HA THR 97 -6.654 -15.588 0.894 759 HB THR 97 HB THR 97 -8.615 -14.150 2.738 760 HG1 THR 97 HG1 THR 97 -8.760 -16.121 3.775 761 1HG2 THR 97 2HG2 THR 97 -9.016 -16.454 0.774 762 2HG2 THR 97 3HG2 THR 97 -10.244 -15.821 1.889 763 3HG2 THR 97 1HG2 THR 97 -9.630 -14.800 0.584 764 H ARG 98 H ARG 98 -6.975 -12.151 1.974 765 HA ARG 98 HA ARG 98 -8.214 -11.352 -0.450 766 1HB ARG 98 1HB ARG 98 -7.866 -10.205 1.996 767 2HB ARG 98 2HB ARG 98 -6.654 -9.301 1.110 768 1HG ARG 98 1HG ARG 98 -9.419 -9.666 -0.111 769 2HG ARG 98 2HG ARG 98 -9.255 -8.585 1.252 770 1HD ARG 98 1HD ARG 98 -7.721 -7.163 0.084 771 2HD ARG 98 2HD ARG 98 -7.415 -8.408 -1.139 772 HE ARG 98 HE ARG 98 -9.013 -7.510 -2.382 773 1HH1 ARG 98 2HH2 ARG 98 -9.797 -6.479 0.966 774 2HH1 ARG 98 1HH2 ARG 98 -11.258 -5.694 0.446 775 1HH2 ARG 98 2HH1 ARG 98 -11.076 -6.689 -2.907 776 2HH2 ARG 98 1HH1 ARG 98 -11.775 -5.546 -1.794 777 H LEU 99 H LEU 99 -4.742 -11.286 0.499 778 HA LEU 99 HA LEU 99 -3.684 -10.322 -1.943 779 1HB LEU 99 1HB LEU 99 -2.735 -12.231 0.234 780 2HB LEU 99 2HB LEU 99 -1.738 -11.965 -1.182 781 HG LEU 99 HG LEU 99 -2.713 -9.620 0.460 782 1HD1 LEU 99 3HD1 LEU 99 -0.190 -11.262 0.909 783 2HD1 LEU 99 1HD1 LEU 99 -0.560 -9.698 1.668 784 3HD1 LEU 99 2HD1 LEU 99 -1.562 -11.114 2.021 785 1HD2 LEU 99 3HD2 LEU 99 -0.316 -10.085 -1.383 786 2HD2 LEU 99 1HD2 LEU 99 -1.765 -9.173 -1.800 787 3HD2 LEU 99 2HD2 LEU 99 -0.677 -8.577 -0.529 788 H LYS 100 H LYS 100 -4.595 -13.697 -0.984 789 HA LYS 100 HA LYS 100 -3.766 -14.781 -3.515 790 1HB LYS 100 1HB LYS 100 -5.563 -15.715 -1.263 791 2HB LYS 100 2HB LYS 100 -5.527 -16.601 -2.779 792 1HG LYS 100 1HG LYS 100 -2.965 -16.572 -2.646 793 2HG LYS 100 2HG LYS 100 -3.146 -15.850 -1.056 794 1HD LYS 100 1HD LYS 100 -4.352 -18.555 -1.786 795 2HD LYS 100 2HD LYS 100 -2.731 -18.359 -1.108 796 1HE LYS 100 1HE LYS 100 -3.716 -17.144 0.855 797 2HE LYS 100 2HE LYS 100 -5.332 -17.458 0.206 798 1HZ LYS 100 1HZ LYS 100 -3.389 -19.557 0.974 799 2HZ LYS 100 2HZ LYS 100 -4.687 -19.079 1.869 800 3HZ LYS 100 3HZ LYS 100 -4.922 -19.807 0.421 801 H GLN 101 H GLN 101 -6.798 -13.273 -2.536 802 HA GLN 101 HA GLN 101 -8.200 -13.795 -4.908 803 1HB GLN 101 1HB GLN 101 -8.821 -12.620 -2.578 804 2HB GLN 101 2HB GLN 101 -8.511 -11.150 -3.491 805 1HG GLN 101 1HG GLN 101 -10.814 -11.566 -3.600 806 2HG GLN 101 2HG GLN 101 -10.188 -11.924 -5.205 807 1HE2 GLN 101 2HE2 GLN 101 -12.343 -14.718 -3.336 808 2HE2 GLN 101 1HE2 GLN 101 -12.138 -13.098 -2.685 809 H ILE 102 H ILE 102 -5.390 -11.760 -4.598 810 HA ILE 102 HA ILE 102 -5.949 -10.744 -7.346 811 HB ILE 102 HB ILE 102 -4.603 -8.929 -7.001 812 1HG1 ILE 102 1HG1 ILE 102 -3.665 -9.244 -4.229 813 2HG1 ILE 102 2HG1 ILE 102 -3.121 -10.520 -5.230 814 1HG2 ILE 102 1HG2 ILE 102 -6.754 -8.774 -5.830 815 2HG2 ILE 102 2HG2 ILE 102 -5.969 -9.331 -4.327 816 3HG2 ILE 102 3HG2 ILE 102 -5.470 -7.803 -5.051 817 1HD1 ILE 102 1HD1 ILE 102 -2.183 -8.942 -6.886 818 2HD1 ILE 102 2HD1 ILE 102 -2.724 -7.588 -5.863 819 3HD1 ILE 102 3HD1 ILE 102 -1.481 -8.725 -5.282 820 H GLY 103 H GLY 103 -4.814 -13.477 -6.284 821 1HA GLY 103 1HA GLY 103 -3.567 -15.068 -7.328 822 2HA GLY 103 2HA GLY 103 -3.161 -13.894 -8.582 823 H ALA 104 H ALA 104 -2.403 -13.327 -5.129 824 HA ALA 104 HA ALA 104 0.395 -12.736 -5.817 825 1HB ALA 104 3HB ALA 104 -1.224 -12.830 -3.190 826 2HB ALA 104 1HB ALA 104 0.390 -12.149 -3.368 827 3HB ALA 104 2HB ALA 104 -1.002 -11.377 -4.179 828 H LEU 105 H LEU 105 -1.013 -14.954 -3.198 829 HA LEU 105 HA LEU 105 1.662 -15.565 -2.813 830 1HB LEU 105 1HB LEU 105 -0.443 -17.276 -1.664 831 2HB LEU 105 2HB LEU 105 1.057 -16.746 -1.018 832 HG LEU 105 HG LEU 105 -1.289 -14.878 -1.256 833 1HD1 LEU 105 3HD1 LEU 105 -1.560 -16.782 0.422 834 2HD1 LEU 105 1HD1 LEU 105 -0.109 -16.191 1.230 835 3HD1 LEU 105 2HD1 LEU 105 -1.563 -15.159 1.135 836 1HD2 LEU 105 1HD2 LEU 105 0.871 -13.724 -1.314 837 2HD2 LEU 105 2HD2 LEU 105 -0.011 -13.399 0.192 838 3HD2 LEU 105 3HD2 LEU 105 1.356 -14.530 0.187 839 H GLN 106 H GLN 106 2.867 -17.108 -3.299 840 HA GLN 106 HA GLN 106 2.090 -19.594 -4.615 841 1HB GLN 106 2HB GLN 106 3.788 -17.246 -5.535 842 2HB GLN 106 3HB GLN 106 4.461 -18.847 -5.733 843 1HG GLN 106 2HG GLN 106 2.194 -19.509 -6.804 844 2HG GLN 106 3HG GLN 106 1.816 -17.784 -6.823 845 1HE2 GLN 106 2HE2 GLN 106 3.082 -18.852 -10.180 846 2HE2 GLN 106 1HE2 GLN 106 1.805 -19.351 -9.081 No H/Q in entry = 846 Start of MODEL 14 1 1H ALA 2 2H ALA 2 -3.307 15.634 -8.153 2 2H ALA 2 3H ALA 2 -2.527 16.346 -6.908 3 3H ALA 2 1H ALA 2 -1.773 16.218 -8.367 4 HA ALA 2 HA ALA 2 -0.835 14.614 -6.977 5 1HB ALA 2 1HB ALA 2 -2.626 14.419 -5.330 6 2HB ALA 2 2HB ALA 2 -3.672 13.620 -6.526 7 3HB ALA 2 3HB ALA 2 -2.193 12.819 -5.974 8 H GLN 3 H GLN 3 -3.680 13.864 -9.042 9 HA GLN 3 HA GLN 3 -3.846 13.128 -11.112 10 1HB GLN 3 1HB GLN 3 -0.881 12.594 -11.308 11 2HB GLN 3 2HB GLN 3 -2.043 12.843 -12.601 12 1HG GLN 3 1HG GLN 3 -2.254 15.240 -11.907 13 2HG GLN 3 2HG GLN 3 -0.898 14.981 -10.790 14 1HE2 GLN 3 2HE2 GLN 3 0.484 16.221 -14.055 15 2HE2 GLN 3 1HE2 GLN 3 -0.721 16.862 -12.952 16 H GLU 4 H GLU 4 -3.016 11.250 -12.572 17 HA GLU 4 HA GLU 4 -3.456 8.686 -11.666 18 1HB GLU 4 1HB GLU 4 -2.173 9.933 -14.045 19 2HB GLU 4 2HB GLU 4 -1.746 8.264 -13.742 20 1HG GLU 4 1HG GLU 4 -3.524 7.979 -15.094 21 2HG GLU 4 2HG GLU 4 -4.303 7.813 -13.530 22 H PHE 5 H PHE 5 -0.741 10.549 -10.708 23 HA PHE 5 HA PHE 5 1.417 8.844 -10.642 24 1HB PHE 5 1HB PHE 5 1.420 11.162 -9.778 25 2HB PHE 5 2HB PHE 5 0.478 10.648 -8.381 26 HD1 PHE 5 2HD PHE 5 1.502 9.100 -6.649 27 HD2 PHE 5 1HD PHE 5 3.806 10.752 -9.906 28 HE1 PHE 5 2HE PHE 5 3.596 8.408 -5.522 29 HE2 PHE 5 1HE PHE 5 5.880 10.083 -8.768 30 HZ PHE 5 HZ PHE 5 5.794 8.870 -6.582 31 H VAL 6 H VAL 6 -1.159 9.027 -8.147 32 HA VAL 6 HA VAL 6 -0.368 6.564 -6.836 33 HB VAL 6 HB VAL 6 -2.698 8.479 -6.713 34 1HG1 VAL 6 2HG1 VAL 6 -3.844 6.298 -6.488 35 2HG1 VAL 6 3HG1 VAL 6 -2.708 5.843 -5.204 36 3HG1 VAL 6 1HG1 VAL 6 -3.828 7.202 -4.984 37 1HG2 VAL 6 3HG2 VAL 6 -0.564 8.890 -5.423 38 2HG2 VAL 6 1HG2 VAL 6 -1.990 8.719 -4.388 39 3HG2 VAL 6 2HG2 VAL 6 -0.850 7.383 -4.536 40 H ASN 7 H ASN 7 -3.063 7.438 -8.977 41 HA ASN 7 HA ASN 7 -4.421 5.100 -8.873 42 1HB ASN 7 1HB ASN 7 -4.276 6.882 -11.322 43 2HB ASN 7 2HB ASN 7 -5.516 5.717 -10.979 44 1HD2 ASN 7 2HD2 ASN 7 -5.670 9.351 -9.127 45 2HD2 ASN 7 1HD2 ASN 7 -4.280 8.994 -10.023 46 H CYS 8 H CYS 8 -1.746 5.748 -11.145 47 HA CYS 8 HA CYS 8 -2.214 3.128 -12.463 48 1HB CYS 8 1HB CYS 8 -0.556 5.550 -13.276 49 2HB CYS 8 2HB CYS 8 -0.717 4.043 -14.202 50 HG CYS 8 HG CYS 8 -2.954 6.297 -13.322 51 H LYS 9 H LYS 9 -0.176 4.395 -9.980 52 HA LYS 9 HA LYS 9 1.938 2.384 -10.439 53 1HB LYS 9 1HB LYS 9 0.983 3.853 -7.939 54 2HB LYS 9 2HB LYS 9 2.130 2.512 -7.898 55 1HG LYS 9 1HG LYS 9 2.597 5.131 -9.333 56 2HG LYS 9 2HG LYS 9 3.263 4.650 -7.798 57 1HD LYS 9 1HD LYS 9 5.040 3.879 -8.934 58 2HD LYS 9 2HD LYS 9 4.027 2.511 -9.413 59 1HE LYS 9 1HE LYS 9 3.159 4.076 -11.283 60 2HE LYS 9 2HE LYS 9 4.500 5.143 -10.886 61 1HZ LYS 9 3HZ LYS 9 6.016 3.353 -11.369 62 2HZ LYS 9 1HZ LYS 9 4.777 2.347 -11.816 63 3HZ LYS 9 2HZ LYS 9 5.083 3.705 -12.680 64 H ILE 10 H ILE 10 -1.265 2.605 -8.726 65 HA ILE 10 HA ILE 10 -1.205 -0.117 -7.886 66 HB ILE 10 HB ILE 10 -3.624 1.577 -8.548 67 1HG1 ILE 10 1HG1 ILE 10 -2.722 1.382 -5.684 68 2HG1 ILE 10 2HG1 ILE 10 -1.744 2.405 -6.700 69 1HG2 ILE 10 3HG2 ILE 10 -3.227 -0.813 -6.692 70 2HG2 ILE 10 1HG2 ILE 10 -4.642 0.253 -6.651 71 3HG2 ILE 10 2HG2 ILE 10 -4.309 -0.691 -8.106 72 1HD1 ILE 10 3HD1 ILE 10 -4.762 2.638 -6.493 73 2HD1 ILE 10 1HD1 ILE 10 -3.577 3.683 -5.676 74 3HD1 ILE 10 2HD1 ILE 10 -3.679 3.671 -7.443 75 H GLN 11 H GLN 11 -2.410 -1.922 -8.831 76 HA GLN 11 HA GLN 11 -3.428 -1.592 -11.539 77 1HB GLN 11 1HB GLN 11 -0.812 -2.674 -11.131 78 2HB GLN 11 2HB GLN 11 -1.863 -4.075 -11.169 79 1HG GLN 11 1HG GLN 11 -1.709 -4.078 -13.308 80 2HG GLN 11 2HG GLN 11 -2.761 -2.684 -13.378 81 1HE2 GLN 11 2HE2 GLN 11 0.444 -0.603 -13.602 82 2HE2 GLN 11 1HE2 GLN 11 -0.792 -0.635 -12.370 83 HA PRO 12 HA PRO 12 -5.946 -4.916 -9.634 84 1HB PRO 12 1HB PRO 12 -6.952 -6.075 -11.936 85 2HB PRO 12 2HB PRO 12 -7.649 -4.611 -11.177 86 1HG PRO 12 1HG PRO 12 -5.753 -4.752 -13.519 87 2HG PRO 12 2HG PRO 12 -7.220 -3.739 -13.310 88 1HD PRO 12 1HD PRO 12 -4.736 -2.763 -12.891 89 2HD PRO 12 2HD PRO 12 -6.111 -2.239 -11.897 90 H GLY 13 H GLY 13 -4.929 -6.767 -9.069 91 1HA GLY 13 1HA GLY 13 -3.477 -8.580 -9.084 92 2HA GLY 13 2HA GLY 13 -3.230 -8.309 -10.795 93 H LYS 14 H LYS 14 -2.572 -5.867 -8.247 94 HA LYS 14 HA LYS 14 0.244 -6.571 -8.017 95 1HB LYS 14 1HB LYS 14 -0.345 -4.628 -9.823 96 2HB LYS 14 2HB LYS 14 -0.244 -3.622 -8.395 97 1HG LYS 14 1HG LYS 14 2.062 -4.342 -8.096 98 2HG LYS 14 2HG LYS 14 1.922 -5.560 -9.385 99 1HD LYS 14 1HD LYS 14 1.850 -3.856 -11.072 100 2HD LYS 14 2HD LYS 14 1.454 -2.600 -9.900 101 1HE LYS 14 1HE LYS 14 3.751 -2.355 -10.658 102 2HE LYS 14 2HE LYS 14 3.678 -2.670 -8.923 103 1HZ LYS 14 1HZ LYS 14 4.318 -4.754 -10.948 104 2HZ LYS 14 2HZ LYS 14 5.420 -3.917 -10.092 105 3HZ LYS 14 3HZ LYS 14 4.406 -4.943 -9.342 106 H VAL 15 H VAL 15 1.206 -5.501 -6.037 107 HA VAL 15 HA VAL 15 -0.863 -4.650 -4.100 108 HB VAL 15 HB VAL 15 1.775 -6.117 -3.677 109 1HG1 VAL 15 1HG1 VAL 15 -0.517 -5.247 -1.925 110 2HG1 VAL 15 2HG1 VAL 15 0.659 -6.462 -1.363 111 3HG1 VAL 15 3HG1 VAL 15 1.163 -4.802 -1.730 112 1HG2 VAL 15 2HG2 VAL 15 -1.037 -7.260 -3.653 113 2HG2 VAL 15 3HG2 VAL 15 0.275 -7.686 -4.770 114 3HG2 VAL 15 1HG2 VAL 15 0.427 -8.092 -3.069 115 H VAL 16 H VAL 16 -0.650 -2.410 -3.874 116 HA VAL 16 HA VAL 16 2.078 -1.278 -4.295 117 HB VAL 16 HB VAL 16 -0.585 -0.314 -5.394 118 1HG1 VAL 16 2HG1 VAL 16 1.014 1.537 -4.853 119 2HG1 VAL 16 3HG1 VAL 16 2.235 0.728 -5.866 120 3HG1 VAL 16 1HG1 VAL 16 0.723 1.346 -6.577 121 1HG2 VAL 16 1HG2 VAL 16 1.787 -1.839 -6.555 122 2HG2 VAL 16 2HG2 VAL 16 0.056 -2.249 -6.620 123 3HG2 VAL 16 3HG2 VAL 16 0.702 -0.922 -7.584 124 H VAL 17 H VAL 17 2.739 0.174 -2.844 125 HA VAL 17 HA VAL 17 0.775 0.884 -0.740 126 HB VAL 17 HB VAL 17 3.592 -0.066 -0.239 127 1HG1 VAL 17 2HG1 VAL 17 1.182 0.356 1.586 128 2HG1 VAL 17 3HG1 VAL 17 2.755 -0.305 2.103 129 3HG1 VAL 17 1HG1 VAL 17 2.619 1.364 1.532 130 1HG2 VAL 17 2HG2 VAL 17 1.031 -1.697 -0.083 131 2HG2 VAL 17 3HG2 VAL 17 2.400 -1.961 -1.180 132 3HG2 VAL 17 1HG2 VAL 17 2.637 -2.171 0.540 133 H PHE 18 H PHE 18 0.652 3.004 -0.582 134 HA PHE 18 HA PHE 18 2.854 4.684 -1.588 135 1HB PHE 18 1HB PHE 18 0.127 5.421 -0.408 136 2HB PHE 18 2HB PHE 18 1.239 6.572 -1.150 137 HD1 PHE 18 2HD PHE 18 2.031 6.214 -3.530 138 HD2 PHE 18 1HD PHE 18 -1.307 4.066 -1.822 139 HE1 PHE 18 2HE PHE 18 1.318 5.491 -5.800 140 HE2 PHE 18 1HE PHE 18 -1.994 3.352 -4.086 141 HZ PHE 18 HZ PHE 18 -0.690 4.102 -6.072 142 H ILE 19 H ILE 19 4.471 5.274 -0.305 143 HA ILE 19 HA ILE 19 4.164 5.312 2.647 144 HB ILE 19 HB ILE 19 6.397 4.264 2.771 145 1HG1 ILE 19 1HG1 ILE 19 6.503 3.119 0.050 146 2HG1 ILE 19 2HG1 ILE 19 6.725 4.851 0.055 147 1HG2 ILE 19 3HG2 ILE 19 4.376 2.854 2.932 148 2HG2 ILE 19 1HG2 ILE 19 4.559 2.452 1.207 149 3HG2 ILE 19 2HG2 ILE 19 5.812 1.984 2.375 150 1HD1 ILE 19 1HD1 ILE 19 8.328 2.953 1.780 151 2HD1 ILE 19 2HD1 ILE 19 8.862 3.722 0.271 152 3HD1 ILE 19 3HD1 ILE 19 8.525 4.717 1.695 153 H LYS 20 H LYS 20 6.181 6.344 3.620 154 HA LYS 20 HA LYS 20 7.641 8.119 1.792 155 1HB LYS 20 1HB LYS 20 7.818 9.828 3.645 156 2HB LYS 20 2HB LYS 20 6.270 9.762 2.777 157 1HG LYS 20 1HG LYS 20 5.525 8.250 4.820 158 2HG LYS 20 2HG LYS 20 6.941 8.946 5.610 159 1HD LYS 20 1HD LYS 20 4.793 10.666 4.319 160 2HD LYS 20 2HD LYS 20 4.568 10.003 5.930 161 1HE LYS 20 1HE LYS 20 6.987 11.686 5.245 162 2HE LYS 20 2HE LYS 20 5.449 12.398 5.713 163 1HZ LYS 20 1HZ LYS 20 6.954 10.505 7.438 164 2HZ LYS 20 2HZ LYS 20 6.875 12.130 7.612 165 3HZ LYS 20 3HZ LYS 20 5.525 11.228 7.801 166 HA PRO 21 HA PRO 21 10.804 5.866 4.074 167 1HB PRO 21 1HB PRO 21 13.062 7.075 3.169 168 2HB PRO 21 2HB PRO 21 11.988 6.169 2.067 169 1HG PRO 21 1HG PRO 21 11.958 9.173 2.602 170 2HG PRO 21 2HG PRO 21 12.120 8.348 1.018 171 1HD PRO 21 1HD PRO 21 9.708 9.173 1.922 172 2HD PRO 21 2HD PRO 21 9.876 7.607 1.070 173 H THR 22 H THR 22 9.328 8.022 5.424 174 HA THR 22 HA THR 22 11.155 8.812 7.470 175 HB THR 22 HB THR 22 11.761 10.472 6.100 176 HG1 THR 22 HG1 THR 22 10.217 11.197 8.361 177 1HG2 THR 22 2HG2 THR 22 8.841 11.011 6.086 178 2HG2 THR 22 3HG2 THR 22 10.127 12.167 5.563 179 3HG2 THR 22 1HG2 THR 22 9.932 10.595 4.715 180 H CYS 23 H CSN 23 8.873 7.033 6.985 181 HA CYS 23 HA CSN 23 7.198 7.901 9.267 182 1HB CYS 23 2HB CSN 23 5.923 7.867 7.123 183 2HB CYS 23 3HB CSN 23 6.485 6.248 6.876 184 HA PRO 24 HA PRO 24 9.156 4.051 10.674 185 1HB PRO 24 1HB PRO 24 7.968 3.935 13.191 186 2HB PRO 24 2HB PRO 24 9.437 4.872 12.805 187 1HG PRO 24 1HG PRO 24 6.617 5.843 13.091 188 2HG PRO 24 2HG PRO 24 8.135 6.656 13.556 189 1HD PRO 24 1HD PRO 24 6.707 7.219 11.255 190 2HD PRO 24 2HD PRO 24 8.473 7.474 11.412 191 H TYR 25 H TYR 25 5.728 4.819 10.346 192 HA TYR 25 HA TYR 25 4.880 2.047 10.849 193 1HB TYR 25 1HB TYR 25 3.323 4.505 9.938 194 2HB TYR 25 2HB TYR 25 2.645 2.907 10.121 195 HD1 TYR 25 1HD TYR 25 4.644 5.414 12.108 196 HD2 TYR 25 2HD TYR 25 1.572 2.387 12.171 197 HE1 TYR 25 1HE TYR 25 4.512 5.616 14.545 198 HE2 TYR 25 2HE TYR 25 1.323 2.686 14.604 199 HH TYR 25 HH TYR 25 3.440 4.971 16.438 200 H CYS 26 H CYS 26 5.747 4.186 8.120 201 HA CYS 26 HA CYS 26 4.937 2.320 6.066 202 1HB CYS 26 1HB CYS 26 7.130 4.457 6.123 203 2HB CYS 26 2HB CYS 26 6.733 3.464 4.732 204 HG CYS 26 HG CYS 26 4.802 5.536 6.442 205 H ARG 27 H ARG 27 8.062 2.846 7.809 206 HA ARG 27 HA ARG 27 9.445 0.654 6.738 207 1HB ARG 27 1HB ARG 27 10.483 2.328 8.269 208 2HB ARG 27 2HB ARG 27 9.642 1.551 9.624 209 1HG ARG 27 1HG ARG 27 10.712 -0.633 8.842 210 2HG ARG 27 2HG ARG 27 11.737 0.313 7.779 211 1HD ARG 27 1HD ARG 27 11.638 0.828 10.776 212 2HD ARG 27 2HD ARG 27 12.564 -0.516 10.099 213 HE ARG 27 HE ARG 27 13.223 1.865 8.688 214 1HH1 ARG 27 2HH2 ARG 27 13.838 0.149 11.756 215 2HH1 ARG 27 1HH2 ARG 27 15.415 0.817 11.946 216 1HH2 ARG 27 2HH1 ARG 27 15.372 2.703 8.966 217 2HH2 ARG 27 1HH1 ARG 27 16.230 2.345 10.433 218 H ARG 28 H ARG 28 7.176 0.558 9.573 219 HA ARG 28 HA ARG 28 7.415 -2.229 9.942 220 1HB ARG 28 1HB ARG 28 6.031 -0.766 11.458 221 2HB ARG 28 2HB ARG 28 4.807 -0.643 10.223 222 1HG ARG 28 1HG ARG 28 4.043 -2.430 11.667 223 2HG ARG 28 2HG ARG 28 4.575 -3.168 10.196 224 1HD ARG 28 1HD ARG 28 6.722 -3.817 11.178 225 2HD ARG 28 2HD ARG 28 6.356 -2.937 12.668 226 HE ARG 28 HE ARG 28 4.369 -4.549 12.862 227 1HH1 ARG 28 2HH2 ARG 28 7.572 -5.555 11.681 228 2HH1 ARG 28 1HH2 ARG 28 7.248 -7.235 11.853 229 1HH2 ARG 28 2HH1 ARG 28 3.991 -6.629 13.208 230 2HH2 ARG 28 1HH1 ARG 28 5.116 -7.904 12.825 231 H ALA 29 H ALA 29 5.003 -0.499 8.034 232 HA ALA 29 HA ALA 29 3.635 -2.709 7.038 233 1HB ALA 29 3HB ALA 29 4.088 -0.048 5.647 234 2HB ALA 29 1HB ALA 29 2.944 -1.287 5.092 235 3HB ALA 29 2HB ALA 29 2.719 -0.555 6.687 236 H GLN 30 H GLN 30 6.628 -1.232 5.486 237 HA GLN 30 HA GLN 30 6.801 -3.013 3.413 238 1HB GLN 30 1HB GLN 30 8.550 -1.117 4.862 239 2HB GLN 30 2HB GLN 30 9.442 -2.568 4.428 240 1HG GLN 30 1HG GLN 30 9.636 -1.950 2.327 241 2HG GLN 30 2HG GLN 30 7.889 -1.909 2.195 242 1HE2 GLN 30 2HE2 GLN 30 9.689 1.489 1.533 243 2HE2 GLN 30 1HE2 GLN 30 10.298 -0.112 1.250 244 H GLU 31 H GLU 31 7.856 -3.589 6.787 245 HA GLU 31 HA GLU 31 9.098 -6.107 6.054 246 1HB GLU 31 1HB GLU 31 8.859 -4.312 8.379 247 2HB GLU 31 2HB GLU 31 8.400 -5.917 8.876 248 1HG GLU 31 1HG GLU 31 10.989 -5.197 7.442 249 2HG GLU 31 2HG GLU 31 10.826 -5.347 9.195 250 H ILE 32 H ILE 32 6.137 -5.127 7.704 251 HA ILE 32 HA ILE 32 4.861 -7.554 8.154 252 HB ILE 32 HB ILE 32 4.107 -4.721 7.628 253 1HG1 ILE 32 1HG1 ILE 32 3.633 -6.774 9.828 254 2HG1 ILE 32 2HG1 ILE 32 4.681 -5.369 9.846 255 1HG2 ILE 32 1HG2 ILE 32 2.366 -5.734 6.298 256 2HG2 ILE 32 2HG2 ILE 32 1.902 -6.759 7.692 257 3HG2 ILE 32 3HG2 ILE 32 1.755 -4.983 7.738 258 1HD1 ILE 32 1HD1 ILE 32 2.512 -3.945 9.695 259 2HD1 ILE 32 2HD1 ILE 32 1.635 -5.461 9.990 260 3HD1 ILE 32 3HD1 ILE 32 2.757 -4.848 11.203 261 H LEU 33 H LEU 33 4.746 -5.578 5.139 262 HA LEU 33 HA LEU 33 3.097 -7.616 3.968 263 1HB LEU 33 1HB LEU 33 4.192 -4.987 2.997 264 2HB LEU 33 2HB LEU 33 3.800 -6.175 1.780 265 HG LEU 33 HG LEU 33 1.796 -5.169 3.854 266 1HD1 LEU 33 3HD1 LEU 33 2.117 -4.493 0.932 267 2HD1 LEU 33 1HD1 LEU 33 0.764 -4.028 1.964 268 3HD1 LEU 33 2HD1 LEU 33 2.388 -3.424 2.340 269 1HD2 LEU 33 1HD2 LEU 33 1.473 -6.955 1.380 270 2HD2 LEU 33 2HD2 LEU 33 1.200 -7.443 3.060 271 3HD2 LEU 33 3HD2 LEU 33 0.132 -6.257 2.310 272 H SER 34 H SER 34 6.628 -6.614 3.645 273 HA SER 34 HA SER 34 6.805 -8.446 1.367 274 1HB SER 34 1HB SER 34 7.976 -6.132 1.763 275 2HB SER 34 2HB SER 34 9.220 -7.130 2.543 276 HG SER 34 HG SER 34 9.604 -8.124 0.645 277 H GLN 35 H GLN 35 7.023 -9.006 4.746 278 HA GLN 35 HA GLN 35 8.825 -11.314 4.587 279 1HB GLN 35 1HB GLN 35 6.703 -10.363 6.553 280 2HB GLN 35 2HB GLN 35 7.566 -11.877 6.778 281 1HG GLN 35 1HG GLN 35 9.115 -9.290 6.449 282 2HG GLN 35 2HG GLN 35 8.381 -9.725 7.986 283 1HE2 GLN 35 2HE2 GLN 35 11.519 -11.186 8.695 284 2HE2 GLN 35 1HE2 GLN 35 10.606 -9.660 8.789 285 H LEU 36 H LEU 36 5.573 -10.685 3.418 286 HA LEU 36 HA LEU 36 4.642 -13.415 3.811 287 1HB LEU 36 1HB LEU 36 3.581 -11.120 2.110 288 2HB LEU 36 2HB LEU 36 2.729 -12.612 2.436 289 HG LEU 36 HG LEU 36 3.544 -10.618 4.593 290 1HD1 LEU 36 1HD1 LEU 36 1.896 -9.681 3.028 291 2HD1 LEU 36 2HD1 LEU 36 0.806 -11.054 3.348 292 3HD1 LEU 36 3HD1 LEU 36 1.245 -9.912 4.652 293 1HD2 LEU 36 3HD2 LEU 36 1.699 -13.046 4.705 294 2HD2 LEU 36 1HD2 LEU 36 3.275 -12.872 5.515 295 3HD2 LEU 36 2HD2 LEU 36 1.921 -11.856 6.007 296 HA PRO 37 HA PRO 37 6.479 -14.822 -0.007 297 1HB PRO 37 1HB PRO 37 5.134 -17.122 -0.510 298 2HB PRO 37 2HB PRO 37 6.085 -16.913 0.985 299 1HG PRO 37 1HG PRO 37 3.097 -16.499 0.633 300 2HG PRO 37 2HG PRO 37 3.932 -17.495 1.868 301 1HD PRO 37 1HD PRO 37 3.135 -14.904 2.329 302 2HD PRO 37 2HD PRO 37 4.587 -15.604 3.085 303 H ILE 38 H ILE 38 4.866 -12.623 -0.420 304 HA ILE 38 HA ILE 38 2.679 -13.006 -2.319 305 HB ILE 38 HB ILE 38 4.403 -10.669 -1.265 306 1HG1 ILE 38 1HG1 ILE 38 1.370 -11.117 -1.318 307 2HG1 ILE 38 2HG1 ILE 38 2.427 -11.636 -0.010 308 1HG2 ILE 38 2HG2 ILE 38 2.344 -10.401 -3.543 309 2HG2 ILE 38 3HG2 ILE 38 3.024 -9.048 -2.646 310 3HG2 ILE 38 1HG2 ILE 38 4.076 -10.018 -3.626 311 1HD1 ILE 38 3HD1 ILE 38 3.176 -9.269 0.313 312 2HD1 ILE 38 1HD1 ILE 38 1.844 -8.778 -0.779 313 3HD1 ILE 38 2HD1 ILE 38 1.507 -9.607 0.737 314 H LYS 39 H LYS 39 2.881 -12.969 -4.610 315 HA LYS 39 HA LYS 39 5.123 -13.893 -5.686 316 1HB LYS 39 1HB LYS 39 2.728 -12.606 -6.814 317 2HB LYS 39 2HB LYS 39 4.142 -12.642 -7.866 318 1HG LYS 39 1HG LYS 39 3.281 -15.176 -6.430 319 2HG LYS 39 2HG LYS 39 2.387 -14.644 -7.836 320 1HD LYS 39 1HD LYS 39 5.347 -15.318 -7.718 321 2HD LYS 39 2HD LYS 39 4.072 -16.318 -8.411 322 1HE LYS 39 1HE LYS 39 3.629 -14.586 -10.125 323 2HE LYS 39 2HE LYS 39 4.919 -13.579 -9.452 324 1HZ LYS 39 3HZ LYS 39 6.469 -15.405 -9.972 325 2HZ LYS 39 1HZ LYS 39 5.223 -16.199 -10.751 326 3HZ LYS 39 2HZ LYS 39 5.749 -14.751 -11.290 327 H GLN 40 H GLN 40 7.135 -12.979 -6.129 328 HA GLN 40 HA GLN 40 7.523 -10.279 -5.230 329 1HB GLN 40 1HB GLN 40 9.250 -12.031 -5.037 330 2HB GLN 40 2HB GLN 40 9.525 -11.969 -6.789 331 1HG GLN 40 1HG GLN 40 10.464 -9.808 -6.679 332 2HG GLN 40 2HG GLN 40 9.634 -9.395 -5.182 333 1HE2 GLN 40 2HE2 GLN 40 13.254 -11.335 -5.016 334 2HE2 GLN 40 1HE2 GLN 40 12.388 -11.139 -6.538 335 H GLY 41 H GLY 41 8.002 -8.349 -6.432 336 1HA GLY 41 1HA GLY 41 8.058 -7.045 -8.382 337 2HA GLY 41 2HA GLY 41 7.403 -8.379 -9.338 338 H LEU 42 H LEU 42 5.195 -8.985 -7.136 339 HA LEU 42 HA LEU 42 3.327 -7.070 -8.173 340 1HB LEU 42 1HB LEU 42 3.037 -8.923 -5.795 341 2HB LEU 42 2HB LEU 42 1.819 -7.942 -6.541 342 HG LEU 42 HG LEU 42 3.043 -10.462 -7.612 343 1HD1 LEU 42 1HD1 LEU 42 1.056 -10.394 -6.064 344 2HD1 LEU 42 2HD1 LEU 42 0.180 -9.455 -7.291 345 3HD1 LEU 42 3HD1 LEU 42 0.693 -11.111 -7.655 346 1HD2 LEU 42 1HD2 LEU 42 1.471 -8.424 -9.216 347 2HD2 LEU 42 2HD2 LEU 42 3.080 -9.104 -9.575 348 3HD2 LEU 42 3HD2 LEU 42 1.648 -10.137 -9.665 349 H LEU 43 H LEU 43 5.445 -7.212 -5.259 350 HA LEU 43 HA LEU 43 3.778 -5.205 -3.941 351 1HB LEU 43 1HB LEU 43 5.460 -7.153 -2.899 352 2HB LEU 43 2HB LEU 43 6.431 -5.710 -2.765 353 HG LEU 43 HG LEU 43 5.401 -5.724 -0.737 354 1HD1 LEU 43 1HD1 LEU 43 4.817 -3.529 -1.796 355 2HD1 LEU 43 2HD1 LEU 43 3.211 -4.168 -2.171 356 3HD1 LEU 43 3HD1 LEU 43 3.749 -4.022 -0.490 357 1HD2 LEU 43 3HD2 LEU 43 2.949 -6.864 -2.051 358 2HD2 LEU 43 1HD2 LEU 43 4.065 -7.608 -0.905 359 3HD2 LEU 43 2HD2 LEU 43 2.973 -6.327 -0.352 360 H GLU 44 H GLU 44 4.013 -3.056 -4.505 361 HA GLU 44 HA GLU 44 6.784 -2.088 -4.942 362 1HB GLU 44 1HB GLU 44 5.662 -2.225 -7.156 363 2HB GLU 44 2HB GLU 44 4.500 -0.993 -6.597 364 1HG GLU 44 1HG GLU 44 6.365 0.532 -6.060 365 2HG GLU 44 2HG GLU 44 7.536 -0.712 -6.406 366 H PHE 45 H PHE 45 7.264 -0.988 -3.236 367 HA PHE 45 HA PHE 45 5.297 0.580 -1.726 368 1HB PHE 45 1HB PHE 45 8.283 0.127 -1.324 369 2HB PHE 45 2HB PHE 45 7.208 0.955 -0.207 370 HD1 PHE 45 2HD PHE 45 5.380 -0.304 0.971 371 HD2 PHE 45 1HD PHE 45 8.399 -2.312 -1.372 372 HE1 PHE 45 2HE PHE 45 4.726 -2.479 1.981 373 HE2 PHE 45 1HE PHE 45 7.793 -4.458 -0.310 374 HZ PHE 45 HZ PHE 45 5.956 -4.555 1.359 375 H VAL 46 H VAL 46 4.752 2.516 -2.667 376 HA VAL 46 HA VAL 46 6.565 3.832 -4.578 377 HB VAL 46 HB VAL 46 3.633 4.292 -3.880 378 1HG1 VAL 46 3HG1 VAL 46 4.836 6.279 -4.905 379 2HG1 VAL 46 1HG1 VAL 46 5.199 5.262 -6.313 380 3HG1 VAL 46 2HG1 VAL 46 3.524 5.652 -5.889 381 1HG2 VAL 46 3HG2 VAL 46 3.967 2.059 -4.924 382 2HG2 VAL 46 1HG2 VAL 46 3.075 3.169 -5.950 383 3HG2 VAL 46 2HG2 VAL 46 4.792 2.830 -6.293 384 H ASP 47 H ASP 47 7.788 5.413 -3.781 385 HA ASP 47 HA ASP 47 7.459 6.682 -1.193 386 1HB ASP 47 1HB ASP 47 9.617 6.143 -2.362 387 2HB ASP 47 2HB ASP 47 9.243 7.382 -3.543 388 H ILE 48 H ILE 48 5.802 8.101 -0.908 389 HA ILE 48 HA ILE 48 4.662 9.716 -3.042 390 HB ILE 48 HB ILE 48 3.349 10.809 -1.339 391 1HG1 ILE 48 1HG1 ILE 48 4.631 9.202 0.882 392 2HG1 ILE 48 2HG1 ILE 48 5.115 10.837 0.498 393 1HG2 ILE 48 1HG2 ILE 48 2.721 8.536 -2.245 394 2HG2 ILE 48 2HG2 ILE 48 3.424 7.802 -0.795 395 3HG2 ILE 48 3HG2 ILE 48 2.015 8.879 -0.659 396 1HD1 ILE 48 2HD1 ILE 48 2.706 11.531 0.805 397 2HD1 ILE 48 3HD1 ILE 48 2.368 9.899 1.392 398 3HD1 ILE 48 1HD1 ILE 48 3.508 10.929 2.275 399 H THR 49 H THR 49 7.654 10.051 -1.535 400 HA THR 49 HA THR 49 7.629 12.840 -2.366 401 HB THR 49 HB THR 49 7.118 12.752 0.052 402 HG1 THR 49 HG1 THR 49 9.193 14.236 0.354 403 1HG2 THR 49 3HG2 THR 49 8.475 10.870 0.785 404 2HG2 THR 49 1HG2 THR 49 9.961 11.784 0.472 405 3HG2 THR 49 2HG2 THR 49 8.809 12.333 1.716 406 H ALA 50 H ALA 50 8.456 10.495 -3.682 407 HA ALA 50 HA ALA 50 11.363 10.794 -3.984 408 1HB ALA 50 2HB ALA 50 9.206 9.400 -5.627 409 2HB ALA 50 3HB ALA 50 10.905 9.537 -6.152 410 3HB ALA 50 1HB ALA 50 10.503 8.685 -4.674 411 H THR 51 H THR 51 10.640 13.199 -3.739 412 HA THR 51 HA THR 51 10.335 15.292 -4.486 413 HB THR 51 HB THR 51 11.788 15.917 -6.374 414 HG1 THR 51 HG1 THR 51 11.425 13.857 -7.502 415 1HG2 THR 51 3HG2 THR 51 12.633 15.437 -4.009 416 2HG2 THR 51 1HG2 THR 51 13.128 13.840 -4.581 417 3HG2 THR 51 2HG2 THR 51 13.843 15.301 -5.299 418 H ASN 52 H ASN 52 7.956 14.757 -4.604 419 HA ASN 52 HA ASN 52 7.095 15.870 -7.121 420 1HB ASN 52 1HB ASN 52 6.958 13.241 -7.276 421 2HB ASN 52 2HB ASN 52 5.463 13.442 -6.382 422 1HD2 ASN 52 2HD2 ASN 52 5.886 14.690 -10.289 423 2HD2 ASN 52 1HD2 ASN 52 7.267 14.638 -9.237 424 H HIS 53 H HIS 53 4.877 14.279 -4.741 425 HA HIS 53 HA HIS 53 4.195 16.914 -3.672 426 1HB HIS 53 1HB HIS 53 3.389 16.522 -6.236 427 2HB HIS 53 2HB HIS 53 2.046 15.737 -5.449 428 HD1 HIS 53 1HD HIS 53 3.787 18.923 -4.061 429 HD2 HIS 53 2HD HIS 53 0.387 17.743 -6.255 430 HE1 HIS 53 1HE HIS 53 2.297 20.931 -4.165 431 H THR 54 H THR 54 4.787 15.007 -1.996 432 HA THR 54 HA THR 54 3.031 13.107 -1.211 433 HB THR 54 HB THR 54 4.695 12.962 0.184 434 HG1 THR 54 HG1 THR 54 3.249 13.043 1.792 435 1HG2 THR 54 1HG2 THR 54 5.928 14.843 -0.499 436 2HG2 THR 54 2HG2 THR 54 4.909 15.891 0.549 437 3HG2 THR 54 3HG2 THR 54 5.968 14.644 1.270 438 H ASN 55 H ASN 55 2.879 16.296 0.211 439 HA ASN 55 HA ASN 55 0.573 16.048 1.699 440 1HB ASN 55 1HB ASN 55 1.505 18.503 0.190 441 2HB ASN 55 2HB ASN 55 -0.065 18.509 0.973 442 1HD2 ASN 55 2HD2 ASN 55 2.003 19.934 3.556 443 2HD2 ASN 55 1HD2 ASN 55 0.971 20.314 2.197 444 H GLU 56 H GLU 56 0.384 17.189 -1.777 445 HA GLU 56 HA GLU 56 -2.381 17.064 -1.798 446 1HB GLU 56 1HB GLU 56 -0.287 17.956 -3.385 447 2HB GLU 56 2HB GLU 56 -0.889 16.612 -4.350 448 1HG GLU 56 1HG GLU 56 -3.114 18.200 -3.331 449 2HG GLU 56 2HG GLU 56 -1.898 19.262 -4.024 450 H ILE 57 H ILE 57 0.052 14.575 -2.695 451 HA ILE 57 HA ILE 57 -1.799 12.647 -3.722 452 HB ILE 57 HB ILE 57 1.000 12.581 -2.540 453 1HG1 ILE 57 1HG1 ILE 57 -0.019 11.504 -5.213 454 2HG1 ILE 57 2HG1 ILE 57 0.359 13.212 -4.981 455 1HG2 ILE 57 2HG2 ILE 57 -0.703 10.139 -3.163 456 2HG2 ILE 57 3HG2 ILE 57 1.063 10.087 -3.066 457 3HG2 ILE 57 1HG2 ILE 57 0.121 10.518 -1.643 458 1HD1 ILE 57 2HD1 ILE 57 2.683 12.648 -4.328 459 2HD1 ILE 57 3HD1 ILE 57 2.354 10.936 -4.651 460 3HD1 ILE 57 1HD1 ILE 57 2.276 12.116 -5.967 461 H GLN 58 H GLN 58 -0.756 13.475 -0.443 462 HA GLN 58 HA GLN 58 -1.767 11.161 0.890 463 1HB GLN 58 1HB GLN 58 -0.806 13.959 1.718 464 2HB GLN 58 2HB GLN 58 -1.693 12.983 2.849 465 1HG GLN 58 1HG GLN 58 0.259 11.166 2.079 466 2HG GLN 58 2HG GLN 58 1.073 12.700 1.878 467 1HE2 GLN 58 2HE2 GLN 58 -0.141 11.920 5.759 468 2HE2 GLN 58 1HE2 GLN 58 -1.108 11.249 4.473 469 H ASP 59 H ASP 59 -3.044 14.430 0.213 470 HA ASP 59 HA ASP 59 -5.547 14.134 1.656 471 1HB ASP 59 1HB ASP 59 -4.027 16.249 0.633 472 2HB ASP 59 2HB ASP 59 -5.397 16.229 -0.432 473 H TYR 60 H TYR 60 -4.543 14.099 -1.776 474 HA TYR 60 HA TYR 60 -7.036 13.593 -3.021 475 1HB TYR 60 1HB TYR 60 -5.062 14.119 -4.306 476 2HB TYR 60 2HB TYR 60 -4.214 12.697 -3.698 477 HD1 TYR 60 1HD TYR 60 -7.365 13.623 -5.586 478 HD2 TYR 60 2HD TYR 60 -4.220 10.725 -4.938 479 HE1 TYR 60 1HE TYR 60 -8.314 12.197 -7.363 480 HE2 TYR 60 2HE TYR 60 -5.162 9.308 -6.741 481 HH TYR 60 HH TYR 60 -8.212 10.098 -8.414 482 H LEU 61 H LEU 61 -4.613 11.250 -1.773 483 HA LEU 61 HA LEU 61 -6.186 8.904 -2.095 484 1HB LEU 61 1HB LEU 61 -4.004 9.731 -0.194 485 2HB LEU 61 2HB LEU 61 -4.816 8.171 -0.011 486 HG LEU 61 HG LEU 61 -3.378 8.946 -2.571 487 1HD1 LEU 61 1HD1 LEU 61 -1.776 9.017 -0.685 488 2HD1 LEU 61 2HD1 LEU 61 -2.280 7.383 -0.188 489 3HD1 LEU 61 3HD1 LEU 61 -1.473 7.640 -1.751 490 1HD2 LEU 61 3HD2 LEU 61 -4.259 6.299 -1.300 491 2HD2 LEU 61 1HD2 LEU 61 -4.987 7.059 -2.721 492 3HD2 LEU 61 2HD2 LEU 61 -3.325 6.443 -2.803 493 H GLN 62 H GLN 62 -6.415 11.505 0.410 494 HA GLN 62 HA GLN 62 -8.077 9.898 2.139 495 1HB GLN 62 1HB GLN 62 -6.861 12.172 2.677 496 2HB GLN 62 2HB GLN 62 -8.329 12.904 2.018 497 1HG GLN 62 1HG GLN 62 -9.669 11.346 3.560 498 2HG GLN 62 2HG GLN 62 -8.160 10.939 4.344 499 1HE2 GLN 62 2HE2 GLN 62 -10.172 13.750 5.987 500 2HE2 GLN 62 1HE2 GLN 62 -10.529 12.143 5.454 501 H GLN 63 H GLN 63 -8.737 12.039 -0.596 502 HA GLN 63 HA GLN 63 -11.609 11.739 -0.281 503 1HB GLN 63 1HB GLN 63 -10.200 13.434 -1.789 504 2HB GLN 63 2HB GLN 63 -10.407 12.182 -3.013 505 1HG GLN 63 1HG GLN 63 -12.908 12.183 -2.401 506 2HG GLN 63 2HG GLN 63 -12.593 13.582 -1.390 507 1HE2 GLN 63 2HE2 GLN 63 -13.267 15.666 -4.173 508 2HE2 GLN 63 1HE2 GLN 63 -13.295 15.441 -2.443 509 H LEU 64 H LEU 64 -9.163 10.153 -2.267 510 HA LEU 64 HA LEU 64 -10.990 8.410 -3.599 511 1HB LEU 64 1HB LEU 64 -9.062 9.016 -4.780 512 2HB LEU 64 2HB LEU 64 -8.020 8.712 -3.406 513 HG LEU 64 HG LEU 64 -8.344 6.224 -3.731 514 1HD1 LEU 64 1HD1 LEU 64 -10.416 6.453 -5.187 515 2HD1 LEU 64 2HD1 LEU 64 -9.399 7.126 -6.459 516 3HD1 LEU 64 3HD1 LEU 64 -9.141 5.454 -5.903 517 1HD2 LEU 64 3HD2 LEU 64 -6.324 7.478 -4.488 518 2HD2 LEU 64 1HD2 LEU 64 -6.715 6.104 -5.542 519 3HD2 LEU 64 2HD2 LEU 64 -7.109 7.758 -6.050 520 H THR 65 H THR 65 -9.210 7.899 -0.536 521 HA THR 65 HA THR 65 -10.475 5.213 -0.359 522 HB THR 65 HB THR 65 -8.597 4.219 0.464 523 HG1 THR 65 HG1 THR 65 -7.833 5.450 1.956 524 1HG2 THR 65 2HG2 THR 65 -8.276 4.677 -1.923 525 2HG2 THR 65 3HG2 THR 65 -7.362 6.160 -1.518 526 3HG2 THR 65 1HG2 THR 65 -6.740 4.576 -1.040 527 H GLY 66 H GLY 66 -10.474 8.252 1.149 528 1HA GLY 66 1HA GLY 66 -11.714 8.820 3.024 529 2HA GLY 66 2HA GLY 66 -11.734 7.142 3.542 530 H ALA 67 H ALA 67 -8.590 7.473 2.813 531 HA ALA 67 HA ALA 67 -7.894 8.283 5.599 532 1HB ALA 67 1HB ALA 67 -6.705 6.128 3.870 533 2HB ALA 67 2HB ALA 67 -6.138 6.607 5.495 534 3HB ALA 67 3HB ALA 67 -7.754 5.887 5.296 535 H ARG 68 H ARG 68 -6.274 9.494 5.894 536 HA ARG 68 HA ARG 68 -4.770 10.544 3.520 537 1HB ARG 68 1HB ARG 68 -4.589 12.606 4.300 538 2HB ARG 68 2HB ARG 68 -6.117 12.141 5.008 539 1HG ARG 68 1HG ARG 68 -4.681 11.577 7.148 540 2HG ARG 68 2HG ARG 68 -3.409 12.497 6.336 541 1HD ARG 68 1HD ARG 68 -4.635 14.010 7.801 542 2HD ARG 68 2HD ARG 68 -5.006 14.438 6.135 543 HE ARG 68 HE ARG 68 -7.171 13.697 6.332 544 1HH1 ARG 68 2HH2 ARG 68 -5.632 13.507 9.501 545 2HH1 ARG 68 1HH2 ARG 68 -6.992 12.757 10.268 546 1HH2 ARG 68 2HH1 ARG 68 -9.031 12.730 7.397 547 2HH2 ARG 68 1HH1 ARG 68 -8.932 12.395 9.083 548 H THR 69 H THR 69 -4.439 8.920 6.690 549 HA THR 69 HA THR 69 -1.724 9.646 7.018 550 HB THR 69 HB THR 69 -2.023 7.882 8.879 551 HG1 THR 69 HG1 THR 69 -3.781 6.759 8.735 552 1HG2 THR 69 2HG2 THR 69 -2.371 10.406 9.115 553 2HG2 THR 69 3HG2 THR 69 -4.101 10.126 8.864 554 3HG2 THR 69 1HG2 THR 69 -3.288 9.408 10.262 555 H VAL 70 H VAL 70 0.107 8.493 6.609 556 HA VAL 70 HA VAL 70 -0.123 6.234 4.723 557 HB VAL 70 HB VAL 70 2.497 6.823 4.590 558 1HG1 VAL 70 3HG1 VAL 70 0.789 6.795 2.752 559 2HG1 VAL 70 1HG1 VAL 70 0.423 8.501 3.138 560 3HG1 VAL 70 2HG1 VAL 70 2.045 8.016 2.594 561 1HG2 VAL 70 1HG2 VAL 70 2.393 8.728 6.231 562 2HG2 VAL 70 2HG2 VAL 70 2.835 9.266 4.592 563 3HG2 VAL 70 3HG2 VAL 70 1.215 9.553 5.197 564 HA PRO 71 HA PRO 71 1.961 4.559 4.065 565 1HB PRO 71 1HB PRO 71 1.634 1.824 4.307 566 2HB PRO 71 2HB PRO 71 3.138 2.674 4.751 567 1HG PRO 71 1HG PRO 71 0.863 1.861 6.582 568 2HG PRO 71 2HG PRO 71 2.624 1.604 6.807 569 1HD PRO 71 1HD PRO 71 1.399 3.651 8.014 570 2HD PRO 71 2HD PRO 71 3.012 3.872 7.296 571 H ARG 72 H ARG 72 0.569 3.432 2.402 572 HA ARG 72 HA ARG 72 -2.252 2.950 3.240 573 1HB ARG 72 1HB ARG 72 -1.616 5.293 2.011 574 2HB ARG 72 2HB ARG 72 -1.695 4.303 0.586 575 1HG ARG 72 1HG ARG 72 -3.919 4.869 0.682 576 2HG ARG 72 2HG ARG 72 -3.948 3.415 1.674 577 1HD ARG 72 1HD ARG 72 -5.114 4.861 3.019 578 2HD ARG 72 2HD ARG 72 -3.500 5.096 3.685 579 HE ARG 72 HE ARG 72 -5.142 6.928 2.071 580 1HH1 ARG 72 2HH2 ARG 72 -2.103 6.595 3.794 581 2HH1 ARG 72 1HH2 ARG 72 -1.514 8.161 3.374 582 1HH2 ARG 72 2HH1 ARG 72 -4.502 9.067 1.850 583 2HH2 ARG 72 1HH1 ARG 72 -2.948 9.639 2.320 584 H VAL 73 H VAL 73 -2.573 0.765 2.711 585 HA VAL 73 HA VAL 73 -0.954 -0.353 0.470 586 HB VAL 73 HB VAL 73 -2.616 -1.647 2.656 587 1HG1 VAL 73 1HG1 VAL 73 -1.072 -2.982 0.362 588 2HG1 VAL 73 2HG1 VAL 73 -1.778 -3.831 1.755 589 3HG1 VAL 73 3HG1 VAL 73 -2.816 -3.026 0.598 590 1HG2 VAL 73 2HG2 VAL 73 0.387 -1.654 2.160 591 2HG2 VAL 73 3HG2 VAL 73 -0.465 -0.835 3.492 592 3HG2 VAL 73 1HG2 VAL 73 -0.447 -2.594 3.374 593 H PHE 74 H PHE 74 -1.844 -0.590 -1.441 594 HA PHE 74 HA PHE 74 -4.751 -1.045 -1.740 595 1HB PHE 74 1HB PHE 74 -2.672 0.063 -3.639 596 2HB PHE 74 2HB PHE 74 -4.020 -0.870 -4.248 597 HD1 PHE 74 1HD PHE 74 -3.238 2.205 -2.254 598 HD2 PHE 74 2HD PHE 74 -6.136 0.069 -4.612 599 HE1 PHE 74 1HE PHE 74 -4.622 4.260 -2.445 600 HE2 PHE 74 2HE PHE 74 -7.520 2.112 -4.796 601 HZ PHE 74 HZ PHE 74 -6.744 4.227 -3.747 602 H ILE 75 H ILE 75 -5.095 -3.208 -1.809 603 HA ILE 75 HA ILE 75 -3.052 -4.954 -3.098 604 HB ILE 75 HB ILE 75 -4.887 -5.442 -0.821 605 1HG1 ILE 75 1HG1 ILE 75 -3.376 -7.501 -0.635 606 2HG1 ILE 75 2HG1 ILE 75 -2.443 -6.793 -1.976 607 1HG2 ILE 75 3HG2 ILE 75 -4.705 -7.489 -3.100 608 2HG2 ILE 75 1HG2 ILE 75 -5.380 -7.792 -1.493 609 3HG2 ILE 75 2HG2 ILE 75 -6.184 -6.664 -2.582 610 1HD1 ILE 75 2HD1 ILE 75 -2.003 -4.882 -0.538 611 2HD1 ILE 75 3HD1 ILE 75 -2.848 -5.725 0.799 612 3HD1 ILE 75 1HD1 ILE 75 -1.367 -6.411 0.098 613 H GLY 76 H GLY 76 -3.538 -5.158 -5.238 614 1HA GLY 76 1HA GLY 76 -4.685 -5.156 -7.202 615 2HA GLY 76 2HA GLY 76 -5.781 -6.186 -6.294 616 H LYS 77 H LYS 77 -5.125 -2.748 -6.969 617 HA LYS 77 HA LYS 77 -6.343 -0.906 -6.903 618 1HB LYS 77 1HB LYS 77 -7.326 -2.653 -8.904 619 2HB LYS 77 2HB LYS 77 -8.746 -1.917 -8.179 620 1HG LYS 77 1HG LYS 77 -7.547 0.333 -8.426 621 2HG LYS 77 2HG LYS 77 -6.311 -0.509 -9.362 622 1HD LYS 77 1HD LYS 77 -7.975 -1.303 -10.955 623 2HD LYS 77 2HD LYS 77 -9.282 -0.477 -10.105 624 1HE LYS 77 1HE LYS 77 -6.859 1.039 -11.135 625 2HE LYS 77 2HE LYS 77 -8.165 0.581 -12.232 626 1HZ LYS 77 1HZ LYS 77 -8.552 2.270 -9.836 627 2HZ LYS 77 2HZ LYS 77 -8.456 2.785 -11.405 628 3HZ LYS 77 3HZ LYS 77 -9.706 1.833 -10.914 629 H ASP 78 H ASP 78 -7.142 -2.948 -4.530 630 HA ASP 78 HA ASP 78 -9.272 -1.060 -3.627 631 1HB ASP 78 1HB ASP 78 -10.060 -3.400 -3.771 632 2HB ASP 78 2HB ASP 78 -8.786 -3.886 -2.633 633 H CYS 79 H CYS 79 -8.629 0.315 -2.121 634 HA CYS 79 HA CYS 79 -6.139 0.080 -0.668 635 1HB CYS 79 1HB CYS 79 -7.230 2.237 -1.298 636 2HB CYS 79 2HB CYS 79 -8.498 1.913 -0.104 637 HG CYS 79 HG CYS 79 -7.059 1.861 1.950 638 H ILE 80 H ILE 80 -5.889 -1.507 1.034 639 HA ILE 80 HA ILE 80 -8.314 -2.352 2.418 640 HB ILE 80 HB ILE 80 -6.945 -3.937 3.454 641 1HG1 ILE 80 1HG1 ILE 80 -4.598 -4.394 2.607 642 2HG1 ILE 80 2HG1 ILE 80 -4.575 -2.729 2.018 643 1HG2 ILE 80 3HG2 ILE 80 -7.948 -4.381 1.262 644 2HG2 ILE 80 1HG2 ILE 80 -6.430 -3.919 0.463 645 3HG2 ILE 80 2HG2 ILE 80 -6.476 -5.329 1.553 646 1HD1 ILE 80 3HD1 ILE 80 -5.209 -3.444 4.909 647 2HD1 ILE 80 1HD1 ILE 80 -3.552 -3.212 4.317 648 3HD1 ILE 80 2HD1 ILE 80 -4.688 -1.871 4.263 649 H GLY 81 H GLY 81 -5.945 0.120 2.716 650 1HA GLY 81 1HA GLY 81 -6.807 1.855 4.330 651 2HA GLY 81 2HA GLY 81 -6.800 0.579 5.540 652 H GLY 82 H GLY 82 -5.440 1.849 6.718 653 1HA GLY 82 1HA GLY 82 -2.665 2.364 5.838 654 2HA GLY 82 2HA GLY 82 -3.483 3.047 7.264 655 H CYS 83 H CYS 83 -1.764 2.380 8.718 656 HA CYS 83 HA CYS 83 -0.537 -0.206 8.399 657 1HB CYS 83 1HB CYS 83 0.375 2.130 9.429 658 2HB CYS 83 2HB CYS 83 -0.203 1.378 10.929 659 HG CYS 83 HG CYS 83 2.135 0.506 8.754 660 H SER 84 H SER 84 -3.051 1.197 10.579 661 HA SER 84 HA SER 84 -2.914 -1.049 12.297 662 1HB SER 84 1HB SER 84 -3.933 1.173 12.921 663 2HB SER 84 2HB SER 84 -5.350 0.753 11.947 664 HG SER 84 HG SER 84 -5.767 -0.972 13.343 665 H ASP 85 H ASP 85 -4.969 -0.186 9.521 666 HA ASP 85 HA ASP 85 -6.700 -2.460 9.682 667 1HB ASP 85 1HB ASP 85 -6.004 -0.499 7.472 668 2HB ASP 85 2HB ASP 85 -7.193 -1.786 7.271 669 H LEU 86 H LEU 86 -3.728 -1.776 7.777 670 HA LEU 86 HA LEU 86 -3.434 -4.283 6.575 671 1HB LEU 86 1HB LEU 86 -2.051 -2.317 6.059 672 2HB LEU 86 2HB LEU 86 -1.344 -2.372 7.677 673 HG LEU 86 HG LEU 86 -0.336 -4.584 7.167 674 1HD1 LEU 86 2HD1 LEU 86 -1.489 -4.160 4.379 675 2HD1 LEU 86 3HD1 LEU 86 -0.248 -5.359 4.811 676 3HD1 LEU 86 1HD1 LEU 86 -1.856 -5.464 5.508 677 1HD2 LEU 86 2HD2 LEU 86 0.303 -2.202 5.399 678 2HD2 LEU 86 3HD2 LEU 86 1.004 -2.642 6.953 679 3HD2 LEU 86 1HD2 LEU 86 1.353 -3.632 5.529 680 H VAL 87 H VAL 87 -2.358 -3.323 9.992 681 HA VAL 87 HA VAL 87 -1.205 -5.815 10.555 682 HB VAL 87 HB VAL 87 -2.255 -3.431 12.103 683 1HG1 VAL 87 1HG1 VAL 87 -1.225 -6.017 13.288 684 2HG1 VAL 87 2HG1 VAL 87 -1.346 -4.462 14.166 685 3HG1 VAL 87 3HG1 VAL 87 -2.810 -5.258 13.561 686 1HG2 VAL 87 3HG2 VAL 87 0.005 -3.399 10.936 687 2HG2 VAL 87 1HG2 VAL 87 0.072 -3.143 12.689 688 3HG2 VAL 87 2HG2 VAL 87 0.493 -4.728 12.003 689 H SER 88 H SER 88 -4.656 -4.621 10.719 690 HA SER 88 HA SER 88 -5.619 -6.806 12.354 691 1HB SER 88 1HB SER 88 -6.891 -4.773 10.504 692 2HB SER 88 2HB SER 88 -7.687 -6.328 10.599 693 HG SER 88 HG SER 88 -8.569 -5.085 12.185 694 H LEU 89 H LEU 89 -5.675 -6.112 8.824 695 HA LEU 89 HA LEU 89 -6.730 -8.608 8.064 696 1HB LEU 89 1HB LEU 89 -5.114 -6.517 6.544 697 2HB LEU 89 2HB LEU 89 -5.636 -8.021 5.831 698 HG LEU 89 HG LEU 89 -8.047 -7.313 6.620 699 1HD1 LEU 89 3HD1 LEU 89 -6.645 -4.646 6.242 700 2HD1 LEU 89 1HD1 LEU 89 -8.397 -4.886 6.145 701 3HD1 LEU 89 2HD1 LEU 89 -7.563 -5.211 7.661 702 1HD2 LEU 89 2HD2 LEU 89 -6.629 -6.258 4.144 703 2HD2 LEU 89 3HD2 LEU 89 -7.372 -7.866 4.327 704 3HD2 LEU 89 1HD2 LEU 89 -8.390 -6.425 4.344 705 H GLN 90 H GLN 90 -3.305 -7.655 8.748 706 HA GLN 90 HA GLN 90 -2.258 -10.195 7.883 707 1HB GLN 90 1HB GLN 90 -0.830 -8.204 8.176 708 2HB GLN 90 2HB GLN 90 -1.103 -8.248 9.925 709 1HG GLN 90 1HG GLN 90 -0.053 -10.488 10.044 710 2HG GLN 90 2HG GLN 90 0.141 -10.506 8.289 711 1HE2 GLN 90 2HE2 GLN 90 3.282 -8.917 8.512 712 2HE2 GLN 90 1HE2 GLN 90 2.221 -9.916 7.584 713 H GLN 91 H GLN 91 -2.899 -9.014 11.306 714 HA GLN 91 HA GLN 91 -2.191 -11.472 12.406 715 1HB GLN 91 1HB GLN 91 -2.819 -8.800 13.195 716 2HB GLN 91 2HB GLN 91 -3.953 -9.783 14.076 717 1HG GLN 91 1HG GLN 91 -0.987 -10.460 14.011 718 2HG GLN 91 2HG GLN 91 -1.608 -9.136 14.965 719 1HE2 GLN 91 2HE2 GLN 91 -3.105 -12.760 16.223 720 2HE2 GLN 91 1HE2 GLN 91 -3.265 -12.439 14.512 721 H SER 92 H SER 92 -5.395 -10.174 11.533 722 HA SER 92 HA SER 92 -6.810 -12.531 12.581 723 1HB SER 92 1HB SER 92 -7.699 -10.143 12.740 724 2HB SER 92 2HB SER 92 -7.894 -10.181 10.974 725 HG SER 92 HG SER 92 -9.135 -12.164 11.381 726 H GLY 93 H GLY 93 -4.937 -11.864 9.851 727 1HA GLY 93 1HA GLY 93 -4.457 -13.277 8.191 728 2HA GLY 93 2HA GLY 93 -5.808 -14.303 8.672 729 H GLU 94 H GLU 94 -7.112 -11.093 8.002 730 HA GLU 94 HA GLU 94 -8.479 -12.334 5.799 731 1HB GLU 94 1HB GLU 94 -9.497 -10.624 7.216 732 2HB GLU 94 2HB GLU 94 -8.288 -9.450 6.687 733 1HG GLU 94 1HG GLU 94 -9.145 -9.641 4.340 734 2HG GLU 94 2HG GLU 94 -10.363 -10.797 4.902 735 H LEU 95 H LEU 95 -5.593 -10.406 6.073 736 HA LEU 95 HA LEU 95 -5.371 -9.319 3.483 737 1HB LEU 95 1HB LEU 95 -3.822 -8.979 5.632 738 2HB LEU 95 2HB LEU 95 -2.973 -10.367 5.028 739 HG LEU 95 HG LEU 95 -2.585 -9.067 2.877 740 1HD1 LEU 95 1HD1 LEU 95 -3.791 -6.770 4.487 741 2HD1 LEU 95 2HD1 LEU 95 -2.863 -6.591 2.989 742 3HD1 LEU 95 3HD1 LEU 95 -4.418 -7.426 2.958 743 1HD2 LEU 95 2HD2 LEU 95 -1.658 -7.851 5.517 744 2HD2 LEU 95 3HD2 LEU 95 -0.923 -9.223 4.667 745 3HD2 LEU 95 1HD2 LEU 95 -0.881 -7.610 3.941 746 H LEU 96 H LEU 96 -4.690 -12.591 4.684 747 HA LEU 96 HA LEU 96 -2.928 -13.248 2.501 748 1HB LEU 96 1HB LEU 96 -3.136 -14.303 4.860 749 2HB LEU 96 2HB LEU 96 -4.388 -15.326 4.160 750 HG LEU 96 HG LEU 96 -1.750 -15.016 2.682 751 1HD1 LEU 96 2HD1 LEU 96 -2.082 -16.726 5.143 752 2HD1 LEU 96 3HD1 LEU 96 -0.697 -16.752 4.015 753 3HD1 LEU 96 1HD1 LEU 96 -1.041 -15.295 4.961 754 1HD2 LEU 96 3HD2 LEU 96 -3.534 -16.432 1.676 755 2HD2 LEU 96 1HD2 LEU 96 -2.087 -17.364 2.089 756 3HD2 LEU 96 2HD2 LEU 96 -3.525 -17.450 3.131 757 H THR 97 H THR 97 -6.426 -13.859 3.179 758 HA THR 97 HA THR 97 -7.005 -15.078 0.672 759 HB THR 97 HB THR 97 -8.788 -13.333 2.445 760 HG1 THR 97 HG1 THR 97 -9.161 -15.176 3.609 761 1HG2 THR 97 2HG2 THR 97 -9.452 -15.676 0.598 762 2HG2 THR 97 3HG2 THR 97 -10.606 -14.793 1.624 763 3HG2 THR 97 1HG2 THR 97 -9.816 -13.967 0.274 764 H ARG 98 H ARG 98 -7.261 -11.650 1.798 765 HA ARG 98 HA ARG 98 -8.215 -10.536 -0.562 766 1HB ARG 98 1HB ARG 98 -7.426 -9.620 1.950 767 2HB ARG 98 2HB ARG 98 -6.269 -8.810 0.920 768 1HG ARG 98 1HG ARG 98 -9.257 -8.749 0.333 769 2HG ARG 98 2HG ARG 98 -8.561 -7.715 1.577 770 1HD ARG 98 1HD ARG 98 -7.082 -6.648 -0.032 771 2HD ARG 98 2HD ARG 98 -7.636 -7.677 -1.321 772 HE ARG 98 HE ARG 98 -9.021 -5.378 -0.082 773 1HH1 ARG 98 2HH2 ARG 98 -9.430 -8.080 -2.387 774 2HH1 ARG 98 1HH2 ARG 98 -10.927 -7.458 -2.965 775 1HH2 ARG 98 2HH1 ARG 98 -10.991 -4.674 -0.809 776 2HH2 ARG 98 1HH1 ARG 98 -11.981 -5.620 -1.883 777 H LEU 99 H LEU 99 -4.775 -11.120 0.300 778 HA LEU 99 HA LEU 99 -3.693 -10.208 -2.192 779 1HB LEU 99 1HB LEU 99 -2.833 -12.043 0.097 780 2HB LEU 99 2HB LEU 99 -1.779 -11.809 -1.276 781 HG LEU 99 HG LEU 99 -2.746 -9.461 0.373 782 1HD1 LEU 99 2HD1 LEU 99 -0.230 -11.148 0.730 783 2HD1 LEU 99 3HD1 LEU 99 -0.602 -9.620 1.575 784 3HD1 LEU 99 1HD1 LEU 99 -1.590 -11.055 1.858 785 1HD2 LEU 99 2HD2 LEU 99 -0.405 -9.919 -1.539 786 2HD2 LEU 99 3HD2 LEU 99 -1.845 -8.979 -1.889 787 3HD2 LEU 99 1HD2 LEU 99 -0.709 -8.430 -0.636 788 H LYS 100 H LYS 100 -4.395 -13.620 -1.055 789 HA LYS 100 HA LYS 100 -3.215 -14.487 -3.542 790 1HB LYS 100 1HB LYS 100 -4.056 -15.856 -1.233 791 2HB LYS 100 2HB LYS 100 -5.082 -16.499 -2.499 792 1HG LYS 100 1HG LYS 100 -2.915 -16.677 -3.958 793 2HG LYS 100 2HG LYS 100 -2.041 -16.267 -2.509 794 1HD LYS 100 1HD LYS 100 -3.212 -18.286 -1.381 795 2HD LYS 100 2HD LYS 100 -3.817 -18.739 -2.964 796 1HE LYS 100 1HE LYS 100 -0.868 -18.616 -2.153 797 2HE LYS 100 2HE LYS 100 -1.851 -20.072 -2.162 798 1HZ LYS 100 2HZ LYS 100 -1.984 -19.861 -4.603 799 2HZ LYS 100 3HZ LYS 100 -1.041 -18.486 -4.506 800 3HZ LYS 100 1HZ LYS 100 -0.416 -19.856 -4.076 801 H GLN 101 H GLN 101 -6.448 -13.640 -2.698 802 HA GLN 101 HA GLN 101 -7.992 -14.335 -4.886 803 1HB GLN 101 1HB GLN 101 -8.674 -13.016 -2.898 804 2HB GLN 101 2HB GLN 101 -7.717 -11.657 -3.488 805 1HG GLN 101 1HG GLN 101 -9.281 -11.639 -5.534 806 2HG GLN 101 2HG GLN 101 -10.306 -12.746 -4.601 807 1HE2 GLN 101 2HE2 GLN 101 -11.072 -10.267 -2.000 808 2HE2 GLN 101 1HE2 GLN 101 -10.891 -11.965 -2.340 809 H ILE 102 H ILE 102 -5.310 -11.845 -4.813 810 HA ILE 102 HA ILE 102 -5.846 -11.293 -7.669 811 HB ILE 102 HB ILE 102 -4.855 -9.246 -7.437 812 1HG1 ILE 102 1HG1 ILE 102 -4.093 -9.049 -4.631 813 2HG1 ILE 102 2HG1 ILE 102 -3.271 -10.380 -5.364 814 1HG2 ILE 102 1HG2 ILE 102 -7.087 -9.449 -6.421 815 2HG2 ILE 102 2HG2 ILE 102 -6.334 -9.688 -4.817 816 3HG2 ILE 102 3HG2 ILE 102 -6.109 -8.166 -5.673 817 1HD1 ILE 102 2HD1 ILE 102 -3.282 -7.566 -6.496 818 2HD1 ILE 102 3HD1 ILE 102 -1.976 -8.278 -5.527 819 3HD1 ILE 102 1HD1 ILE 102 -2.343 -8.949 -7.120 820 H GLY 103 H GLY 103 -4.301 -13.721 -6.445 821 1HA GLY 103 1HA GLY 103 -2.737 -15.097 -7.399 822 2HA GLY 103 2HA GLY 103 -2.480 -13.891 -8.663 823 H ALA 104 H ALA 104 -1.997 -13.620 -5.095 824 HA ALA 104 HA ALA 104 0.744 -12.488 -5.556 825 1HB ALA 104 2HB ALA 104 -1.329 -12.462 -3.280 826 2HB ALA 104 3HB ALA 104 0.211 -11.592 -3.242 827 3HB ALA 104 1HB ALA 104 -1.081 -11.114 -4.398 828 H LEU 105 H LEU 105 -0.713 -14.417 -2.638 829 HA LEU 105 HA LEU 105 1.917 -15.261 -2.243 830 1HB LEU 105 1HB LEU 105 -0.441 -16.831 -1.256 831 2HB LEU 105 2HB LEU 105 1.152 -16.672 -0.711 832 HG LEU 105 HG LEU 105 -0.018 -15.669 0.954 833 1HD1 LEU 105 1HD1 LEU 105 1.973 -14.349 0.225 834 2HD1 LEU 105 2HD1 LEU 105 0.883 -13.312 -0.716 835 3HD1 LEU 105 3HD1 LEU 105 0.735 -13.389 1.052 836 1HD2 LEU 105 3HD2 LEU 105 -1.563 -14.076 -1.112 837 2HD2 LEU 105 1HD2 LEU 105 -2.151 -15.404 -0.095 838 3HD2 LEU 105 2HD2 LEU 105 -1.667 -13.883 0.645 839 H GLN 106 H GLN 106 2.842 -17.050 -2.905 840 HA GLN 106 HA GLN 106 2.201 -17.592 -5.605 841 1HB GLN 106 2HB GLN 106 4.449 -17.344 -4.457 842 2HB GLN 106 3HB GLN 106 4.291 -19.018 -3.915 843 1HG GLN 106 2HG GLN 106 4.365 -19.809 -6.215 844 2HG GLN 106 3HG GLN 106 4.084 -18.181 -6.845 845 1HE2 GLN 106 2HE2 GLN 106 7.876 -19.178 -5.571 846 2HE2 GLN 106 1HE2 GLN 106 6.504 -20.176 -5.099 No H/Q in entry = 846 Start of MODEL 15 1 1H ALA 2 1H ALA 2 -2.945 10.580 -6.404 2 2H ALA 2 2H ALA 2 -4.363 11.344 -5.952 3 3H ALA 2 3H ALA 2 -3.996 11.137 -7.548 4 HA ALA 2 HA ALA 2 -3.616 13.361 -6.981 5 1HB ALA 2 2HB ALA 2 -2.003 12.053 -4.828 6 2HB ALA 2 3HB ALA 2 -1.422 13.596 -5.513 7 3HB ALA 2 1HB ALA 2 -2.999 13.543 -4.754 8 H GLN 3 H GLN 3 -2.823 13.799 -8.801 9 HA GLN 3 HA GLN 3 -1.912 13.645 -10.663 10 1HB GLN 3 1HB GLN 3 0.251 13.739 -8.822 11 2HB GLN 3 2HB GLN 3 0.742 12.546 -10.006 12 1HG GLN 3 1HG GLN 3 -0.103 15.429 -10.581 13 2HG GLN 3 2HG GLN 3 1.557 14.813 -10.569 14 1HE2 GLN 3 2HE2 GLN 3 -0.724 14.257 -13.903 15 2HE2 GLN 3 1HE2 GLN 3 -1.237 15.273 -12.553 16 H GLU 4 H GLU 4 -0.855 12.208 -12.439 17 HA GLU 4 HA GLU 4 -1.959 9.571 -12.351 18 1HB GLU 4 1HB GLU 4 -1.439 11.161 -14.395 19 2HB GLU 4 2HB GLU 4 0.165 10.409 -14.319 20 1HG GLU 4 1HG GLU 4 -1.061 8.159 -14.269 21 2HG GLU 4 2HG GLU 4 -2.552 9.029 -14.589 22 H PHE 5 H PHE 5 1.017 10.968 -11.316 23 HA PHE 5 HA PHE 5 2.785 8.848 -11.085 24 1HB PHE 5 1HB PHE 5 2.972 11.288 -10.282 25 2HB PHE 5 2HB PHE 5 2.209 10.756 -8.792 26 HD1 PHE 5 2HD PHE 5 3.424 8.527 -7.693 27 HD2 PHE 5 1HD PHE 5 5.277 11.314 -10.431 28 HE1 PHE 5 2HE PHE 5 5.678 7.801 -6.937 29 HE2 PHE 5 1HE PHE 5 7.491 10.618 -9.622 30 HZ PHE 5 HZ PHE 5 7.712 8.856 -7.884 31 H VAL 6 H VAL 6 -0.029 9.565 -8.860 32 HA VAL 6 HA VAL 6 0.327 7.005 -7.525 33 HB VAL 6 HB VAL 6 -1.745 9.199 -7.420 34 1HG1 VAL 6 2HG1 VAL 6 -2.016 6.509 -6.053 35 2HG1 VAL 6 3HG1 VAL 6 -2.927 7.953 -5.609 36 3HG1 VAL 6 1HG1 VAL 6 -3.137 7.224 -7.213 37 1HG2 VAL 6 2HG2 VAL 6 0.416 9.398 -6.101 38 2HG2 VAL 6 3HG2 VAL 6 -1.015 9.322 -5.057 39 3HG2 VAL 6 1HG2 VAL 6 0.001 7.904 -5.263 40 H ASN 7 H ASN 7 -1.951 8.259 -10.047 41 HA ASN 7 HA ASN 7 -3.623 6.019 -9.885 42 1HB ASN 7 1HB ASN 7 -3.328 7.443 -12.532 43 2HB ASN 7 2HB ASN 7 -4.754 6.720 -11.820 44 1HD2 ASN 7 2HD2 ASN 7 -4.596 9.815 -9.496 45 2HD2 ASN 7 1HD2 ASN 7 -4.569 8.064 -9.150 46 H CYS 8 H CYS 8 -1.057 6.535 -12.389 47 HA CYS 8 HA CYS 8 -1.508 3.812 -13.387 48 1HB CYS 8 1HB CYS 8 0.382 6.060 -14.178 49 2HB CYS 8 2HB CYS 8 0.355 4.466 -14.969 50 HG CYS 8 HG CYS 8 -0.994 6.465 -16.275 51 H LYS 9 H LYS 9 0.330 4.982 -10.747 52 HA LYS 9 HA LYS 9 2.460 2.997 -11.052 53 1HB LYS 9 1HB LYS 9 1.512 4.781 -8.835 54 2HB LYS 9 2HB LYS 9 2.281 3.295 -8.346 55 1HG LYS 9 1HG LYS 9 3.599 5.174 -10.356 56 2HG LYS 9 2HG LYS 9 3.807 5.324 -8.616 57 1HD LYS 9 1HD LYS 9 4.504 2.831 -8.635 58 2HD LYS 9 2HD LYS 9 4.668 2.999 -10.381 59 1HE LYS 9 1HE LYS 9 6.060 4.803 -8.345 60 2HE LYS 9 2HE LYS 9 6.766 3.304 -8.962 61 1HZ LYS 9 3HZ LYS 9 6.032 5.590 -10.708 62 2HZ LYS 9 1HZ LYS 9 7.565 5.206 -10.178 63 3HZ LYS 9 2HZ LYS 9 6.757 4.195 -11.147 64 H ILE 10 H ILE 10 -1.013 2.802 -10.203 65 HA ILE 10 HA ILE 10 -0.504 0.173 -8.987 66 HB ILE 10 HB ILE 10 -3.185 1.454 -9.460 67 1HG1 ILE 10 1HG1 ILE 10 -2.067 1.976 -6.751 68 2HG1 ILE 10 2HG1 ILE 10 -1.291 2.930 -7.977 69 1HG2 ILE 10 1HG2 ILE 10 -2.112 -0.480 -7.369 70 2HG2 ILE 10 2HG2 ILE 10 -3.701 0.286 -7.255 71 3HG2 ILE 10 3HG2 ILE 10 -3.338 -0.790 -8.611 72 1HD1 ILE 10 1HD1 ILE 10 -3.484 3.643 -8.878 73 2HD1 ILE 10 2HD1 ILE 10 -4.280 2.779 -7.555 74 3HD1 ILE 10 3HD1 ILE 10 -3.181 4.162 -7.219 75 H GLN 11 H GLN 11 -1.593 -1.725 -9.788 76 HA GLN 11 HA GLN 11 -2.965 -1.551 -12.372 77 1HB GLN 11 1HB GLN 11 -0.559 -3.298 -11.717 78 2HB GLN 11 2HB GLN 11 -1.802 -3.875 -12.822 79 1HG GLN 11 1HG GLN 11 -1.472 -2.007 -14.340 80 2HG GLN 11 2HG GLN 11 -0.342 -1.244 -13.220 81 1HE2 GLN 11 2HE2 GLN 11 0.940 -4.429 -15.521 82 2HE2 GLN 11 1HE2 GLN 11 -0.758 -4.027 -15.404 83 HA PRO 12 HA PRO 12 -5.679 -3.980 -9.829 84 1HB PRO 12 1HB PRO 12 -7.476 -4.950 -11.581 85 2HB PRO 12 2HB PRO 12 -7.195 -3.199 -11.389 86 1HG PRO 12 1HG PRO 12 -5.966 -5.030 -13.490 87 2HG PRO 12 2HG PRO 12 -6.854 -3.498 -13.757 88 1HD PRO 12 1HD PRO 12 -4.118 -3.600 -13.580 89 2HD PRO 12 2HD PRO 12 -5.058 -2.201 -12.981 90 H GLY 13 H GLY 13 -3.476 -5.250 -9.693 91 1HA GLY 13 1HA GLY 13 -3.964 -7.920 -9.044 92 2HA GLY 13 2HA GLY 13 -3.437 -7.936 -10.717 93 H LYS 14 H LYS 14 -2.361 -5.594 -8.292 94 HA LYS 14 HA LYS 14 0.169 -6.951 -7.792 95 1HB LYS 14 1HB LYS 14 -0.112 -4.402 -9.364 96 2HB LYS 14 2HB LYS 14 0.906 -4.258 -7.936 97 1HG LYS 14 1HG LYS 14 2.017 -6.434 -8.718 98 2HG LYS 14 2HG LYS 14 1.304 -6.127 -10.282 99 1HD LYS 14 1HD LYS 14 2.970 -4.038 -8.783 100 2HD LYS 14 2HD LYS 14 3.742 -5.271 -9.752 101 1HE LYS 14 1HE LYS 14 1.601 -3.401 -10.849 102 2HE LYS 14 2HE LYS 14 3.324 -3.042 -10.897 103 1HZ LYS 14 1HZ LYS 14 2.116 -5.445 -12.171 104 2HZ LYS 14 2HZ LYS 14 2.537 -4.050 -12.929 105 3HZ LYS 14 3HZ LYS 14 3.698 -4.957 -12.234 106 H VAL 15 H VAL 15 1.281 -5.565 -5.959 107 HA VAL 15 HA VAL 15 -0.845 -4.831 -4.015 108 HB VAL 15 HB VAL 15 1.804 -6.237 -3.468 109 1HG1 VAL 15 3HG1 VAL 15 -0.658 -5.579 -1.888 110 2HG1 VAL 15 1HG1 VAL 15 0.628 -6.613 -1.239 111 3HG1 VAL 15 2HG1 VAL 15 0.924 -4.894 -1.589 112 1HG2 VAL 15 1HG2 VAL 15 -0.961 -7.469 -3.663 113 2HG2 VAL 15 2HG2 VAL 15 0.439 -7.821 -4.701 114 3HG2 VAL 15 3HG2 VAL 15 0.498 -8.258 -3.007 115 H VAL 16 H VAL 16 -0.715 -2.649 -3.745 116 HA VAL 16 HA VAL 16 1.856 -1.327 -4.474 117 HB VAL 16 HB VAL 16 -0.982 -0.780 -5.409 118 1HG1 VAL 16 2HG1 VAL 16 1.642 0.633 -5.921 119 2HG1 VAL 16 3HG1 VAL 16 0.254 0.791 -7.012 120 3HG1 VAL 16 1HG1 VAL 16 0.089 1.291 -5.333 121 1HG2 VAL 16 2HG2 VAL 16 1.399 -2.104 -6.735 122 2HG2 VAL 16 3HG2 VAL 16 -0.256 -2.730 -6.531 123 3HG2 VAL 16 1HG2 VAL 16 0.059 -1.429 -7.669 124 H VAL 17 H VAL 17 2.567 -0.136 -2.889 125 HA VAL 17 HA VAL 17 0.584 1.105 -1.019 126 HB VAL 17 HB VAL 17 3.413 0.448 -0.218 127 1HG1 VAL 17 3HG1 VAL 17 2.044 1.889 1.266 128 2HG1 VAL 17 1HG1 VAL 17 0.819 0.621 1.370 129 3HG1 VAL 17 2HG1 VAL 17 2.447 0.350 2.034 130 1HG2 VAL 17 3HG2 VAL 17 1.095 -1.530 -0.085 131 2HG2 VAL 17 1HG2 VAL 17 2.606 -1.719 -1.010 132 3HG2 VAL 17 2HG2 VAL 17 2.673 -1.672 0.740 133 H PHE 18 H PHE 18 0.701 3.257 -0.610 134 HA PHE 18 HA PHE 18 2.899 4.804 -1.896 135 1HB PHE 18 1HB PHE 18 0.085 5.581 -1.041 136 2HB PHE 18 2HB PHE 18 1.289 6.758 -1.561 137 HD1 PHE 18 1HD PHE 18 2.451 6.431 -3.853 138 HD2 PHE 18 2HD PHE 18 -1.245 4.514 -2.700 139 HE1 PHE 18 1HE PHE 18 1.950 5.932 -6.234 140 HE2 PHE 18 2HE PHE 18 -1.710 3.997 -5.089 141 HZ PHE 18 HZ PHE 18 -0.111 4.680 -6.833 142 H ILE 19 H ILE 19 4.394 5.630 -0.526 143 HA ILE 19 HA ILE 19 3.954 5.612 2.398 144 HB ILE 19 HB ILE 19 6.106 4.394 2.633 145 1HG1 ILE 19 1HG1 ILE 19 6.510 2.911 0.366 146 2HG1 ILE 19 2HG1 ILE 19 6.174 4.467 -0.335 147 1HG2 ILE 19 3HG2 ILE 19 3.788 3.336 2.634 148 2HG2 ILE 19 1HG2 ILE 19 4.232 2.655 1.051 149 3HG2 ILE 19 2HG2 ILE 19 5.180 2.272 2.507 150 1HD1 ILE 19 1HD1 ILE 19 7.987 5.467 1.079 151 2HD1 ILE 19 2HD1 ILE 19 8.323 3.842 1.726 152 3HD1 ILE 19 3HD1 ILE 19 8.554 4.182 0.001 153 H LYS 20 H LYS 20 5.980 6.509 3.500 154 HA LYS 20 HA LYS 20 7.475 8.444 1.850 155 1HB LYS 20 1HB LYS 20 7.453 9.829 4.134 156 2HB LYS 20 2HB LYS 20 6.227 10.081 2.902 157 1HG LYS 20 1HG LYS 20 4.550 8.913 4.076 158 2HG LYS 20 2HG LYS 20 5.715 8.074 5.081 159 1HD LYS 20 1HD LYS 20 4.654 9.561 6.513 160 2HD LYS 20 2HD LYS 20 6.259 10.233 6.221 161 1HE LYS 20 1HE LYS 20 5.160 11.814 4.550 162 2HE LYS 20 2HE LYS 20 3.593 11.164 5.064 163 1HZ LYS 20 1HZ LYS 20 4.226 11.840 7.356 164 2HZ LYS 20 2HZ LYS 20 5.546 12.581 6.776 165 3HZ LYS 20 3HZ LYS 20 4.059 13.123 6.332 166 HA PRO 21 HA PRO 21 10.724 6.166 3.861 167 1HB PRO 21 1HB PRO 21 12.805 7.975 3.826 168 2HB PRO 21 2HB PRO 21 12.223 7.109 2.366 169 1HG PRO 21 1HG PRO 21 11.567 9.917 3.293 170 2HG PRO 21 2HG PRO 21 11.988 9.361 1.643 171 1HD PRO 21 1HD PRO 21 9.404 9.754 2.403 172 2HD PRO 21 2HD PRO 21 9.873 8.409 1.319 173 H THR 22 H THR 22 10.177 9.559 4.928 174 HA THR 22 HA THR 22 11.184 9.173 7.601 175 HB THR 22 HB THR 22 10.276 11.612 7.631 176 HG1 THR 22 HG1 THR 22 10.105 12.442 5.462 177 1HG2 THR 22 3HG2 THR 22 12.426 10.821 5.606 178 2HG2 THR 22 1HG2 THR 22 12.208 12.425 6.329 179 3HG2 THR 22 2HG2 THR 22 12.663 11.054 7.352 180 H CYS 23 H CSN 23 9.330 7.232 7.236 181 HA CYS 23 HA CSN 23 7.334 7.968 9.240 182 1HB CYS 23 2HB CSN 23 6.110 8.124 7.241 183 2HB CYS 23 3HB CSN 23 6.726 6.590 6.616 184 HA PRO 24 HA PRO 24 9.017 3.922 10.446 185 1HB PRO 24 1HB PRO 24 8.126 3.772 12.974 186 2HB PRO 24 2HB PRO 24 9.393 4.943 12.494 187 1HG PRO 24 1HG PRO 24 6.426 5.449 12.770 188 2HG PRO 24 2HG PRO 24 7.760 6.399 13.491 189 1HD PRO 24 1HD PRO 24 6.557 7.086 11.114 190 2HD PRO 24 2HD PRO 24 8.288 7.408 11.436 191 H TYR 25 H TYR 25 5.607 4.960 10.160 192 HA TYR 25 HA TYR 25 4.612 2.237 10.713 193 1HB TYR 25 1HB TYR 25 3.248 4.590 9.346 194 2HB TYR 25 2HB TYR 25 2.548 3.014 9.596 195 HD1 TYR 25 2HD TYR 25 2.907 2.226 12.300 196 HD2 TYR 25 1HD TYR 25 2.172 6.158 10.652 197 HE1 TYR 25 2HE TYR 25 1.777 2.885 14.385 198 HE2 TYR 25 1HE TYR 25 1.078 6.838 12.763 199 HH TYR 25 HH TYR 25 0.642 6.241 14.988 200 H CYS 26 H CYS 26 5.586 4.289 7.902 201 HA CYS 26 HA CYS 26 4.849 2.345 5.927 202 1HB CYS 26 1HB CYS 26 6.955 4.548 5.946 203 2HB CYS 26 2HB CYS 26 6.617 3.531 4.556 204 HG CYS 26 HG CYS 26 4.727 5.645 6.233 205 H ARG 27 H ARG 27 7.868 2.832 7.807 206 HA ARG 27 HA ARG 27 9.376 0.698 6.768 207 1HB ARG 27 1HB ARG 27 9.247 1.843 9.566 208 2HB ARG 27 2HB ARG 27 10.261 0.462 9.186 209 1HG ARG 27 1HG ARG 27 11.488 1.706 7.525 210 2HG ARG 27 2HG ARG 27 10.403 3.100 7.707 211 1HD ARG 27 1HD ARG 27 11.142 3.355 10.054 212 2HD ARG 27 2HD ARG 27 12.095 1.867 9.896 213 HE ARG 27 HE ARG 27 12.693 4.154 8.106 214 1HH1 ARG 27 2HH2 ARG 27 13.785 2.298 10.973 215 2HH1 ARG 27 1HH2 ARG 27 15.476 2.621 10.640 216 1HH2 ARG 27 2HH1 ARG 27 14.903 4.696 7.867 217 2HH2 ARG 27 1HH1 ARG 27 16.100 4.018 8.915 218 H ARG 28 H ARG 28 7.084 0.614 9.525 219 HA ARG 28 HA ARG 28 7.167 -2.131 10.067 220 1HB ARG 28 1HB ARG 28 5.955 -0.444 11.463 221 2HB ARG 28 2HB ARG 28 4.792 -0.212 10.214 222 1HG ARG 28 1HG ARG 28 3.505 -1.751 11.201 223 2HG ARG 28 2HG ARG 28 4.580 -2.957 10.558 224 1HD ARG 28 1HD ARG 28 5.076 -1.648 13.262 225 2HD ARG 28 2HD ARG 28 4.042 -3.064 13.039 226 HE ARG 28 HE ARG 28 6.629 -3.477 11.833 227 1HH1 ARG 28 2HH2 ARG 28 4.946 -3.535 14.985 228 2HH1 ARG 28 1HH2 ARG 28 6.009 -4.725 15.645 229 1HH2 ARG 28 2HH1 ARG 28 7.992 -5.111 12.758 230 2HH2 ARG 28 1HH1 ARG 28 7.574 -5.780 14.306 231 H ALA 29 H ALA 29 4.845 -0.393 8.058 232 HA ALA 29 HA ALA 29 3.349 -2.581 7.197 233 1HB ALA 29 2HB ALA 29 3.880 0.029 5.733 234 2HB ALA 29 3HB ALA 29 2.664 -1.159 5.236 235 3HB ALA 29 1HB ALA 29 2.512 -0.385 6.824 236 H GLN 30 H GLN 30 6.288 -1.188 5.401 237 HA GLN 30 HA GLN 30 6.283 -2.996 3.395 238 1HB GLN 30 1HB GLN 30 8.295 -1.273 4.875 239 2HB GLN 30 2HB GLN 30 8.982 -2.657 4.013 240 1HG GLN 30 1HG GLN 30 8.959 -1.053 2.340 241 2HG GLN 30 2HG GLN 30 7.510 -2.058 2.135 242 1HE2 GLN 30 2HE2 GLN 30 7.056 1.928 2.476 243 2HE2 GLN 30 1HE2 GLN 30 8.630 1.194 2.245 244 H GLU 31 H GLU 31 7.707 -3.470 6.654 245 HA GLU 31 HA GLU 31 8.841 -5.957 5.970 246 1HB GLU 31 1HB GLU 31 9.075 -4.016 7.931 247 2HB GLU 31 2HB GLU 31 8.126 -5.176 8.836 248 1HG GLU 31 1HG GLU 31 10.655 -5.907 7.323 249 2HG GLU 31 2HG GLU 31 10.702 -5.164 8.926 250 H ILE 32 H ILE 32 5.953 -5.058 7.776 251 HA ILE 32 HA ILE 32 4.719 -7.508 8.306 252 HB ILE 32 HB ILE 32 3.891 -4.665 7.757 253 1HG1 ILE 32 1HG1 ILE 32 3.704 -6.622 10.070 254 2HG1 ILE 32 2HG1 ILE 32 4.741 -5.211 9.943 255 1HG2 ILE 32 2HG2 ILE 32 2.060 -5.819 6.644 256 2HG2 ILE 32 3HG2 ILE 32 1.793 -6.775 8.129 257 3HG2 ILE 32 1HG2 ILE 32 1.555 -5.013 8.105 258 1HD1 ILE 32 1HD1 ILE 32 2.563 -3.819 9.947 259 2HD1 ILE 32 2HD1 ILE 32 1.739 -5.328 10.402 260 3HD1 ILE 32 3HD1 ILE 32 2.992 -4.661 11.458 261 H LEU 33 H LEU 33 4.418 -5.476 5.348 262 HA LEU 33 HA LEU 33 2.661 -7.343 4.135 263 1HB LEU 33 1HB LEU 33 4.199 -4.940 3.140 264 2HB LEU 33 2HB LEU 33 3.648 -6.065 1.937 265 HG LEU 33 HG LEU 33 1.682 -4.794 3.915 266 1HD1 LEU 33 2HD1 LEU 33 2.402 -3.939 1.136 267 2HD1 LEU 33 3HD1 LEU 33 1.076 -3.338 2.115 268 3HD1 LEU 33 1HD1 LEU 33 2.746 -3.061 2.648 269 1HD2 LEU 33 1HD2 LEU 33 1.312 -6.234 1.243 270 2HD2 LEU 33 2HD2 LEU 33 0.915 -6.914 2.829 271 3HD2 LEU 33 3HD2 LEU 33 0.038 -5.496 2.219 272 H SER 34 H SER 34 6.245 -6.715 3.769 273 HA SER 34 HA SER 34 6.569 -8.685 1.746 274 1HB SER 34 1HB SER 34 8.613 -7.714 3.767 275 2HB SER 34 2HB SER 34 8.949 -8.471 2.198 276 HG SER 34 HG SER 34 7.713 -5.980 2.752 277 H GLN 35 H GLN 35 6.100 -9.237 5.214 278 HA GLN 35 HA GLN 35 7.567 -11.749 5.309 279 1HB GLN 35 1HB GLN 35 5.499 -10.420 7.074 280 2HB GLN 35 2HB GLN 35 5.949 -12.099 7.344 281 1HG GLN 35 1HG GLN 35 8.328 -11.491 7.573 282 2HG GLN 35 2HG GLN 35 7.914 -9.794 7.334 283 1HE2 GLN 35 2HE2 GLN 35 6.008 -9.636 10.534 284 2HE2 GLN 35 1HE2 GLN 35 5.598 -9.536 8.856 285 H LEU 36 H LEU 36 4.367 -10.792 4.205 286 HA LEU 36 HA LEU 36 3.318 -13.515 4.160 287 1HB LEU 36 1HB LEU 36 2.415 -10.911 2.890 288 2HB LEU 36 2HB LEU 36 1.499 -12.420 2.856 289 HG LEU 36 HG LEU 36 2.282 -10.893 5.398 290 1HD1 LEU 36 2HD1 LEU 36 0.730 -9.656 4.029 291 2HD1 LEU 36 3HD1 LEU 36 -0.378 -11.056 3.954 292 3HD1 LEU 36 1HD1 LEU 36 -0.059 -10.236 5.504 293 1HD2 LEU 36 2HD2 LEU 36 0.525 -13.335 4.953 294 2HD2 LEU 36 3HD2 LEU 36 1.995 -13.236 5.931 295 3HD2 LEU 36 1HD2 LEU 36 0.547 -12.384 6.460 296 HA PRO 37 HA PRO 37 5.933 -14.322 0.724 297 1HB PRO 37 1HB PRO 37 5.196 -16.827 0.030 298 2HB PRO 37 2HB PRO 37 5.803 -16.443 1.663 299 1HG PRO 37 1HG PRO 37 2.909 -16.646 0.767 300 2HG PRO 37 2HG PRO 37 3.713 -17.489 2.127 301 1HD PRO 37 1HD PRO 37 2.337 -15.156 2.496 302 2HD PRO 37 2HD PRO 37 3.827 -15.529 3.414 303 H ILE 38 H ILE 38 4.601 -12.427 -0.320 304 HA ILE 38 HA ILE 38 2.599 -13.014 -2.286 305 HB ILE 38 HB ILE 38 4.385 -10.634 -1.609 306 1HG1 ILE 38 1HG1 ILE 38 1.936 -9.585 -1.560 307 2HG1 ILE 38 2HG1 ILE 38 1.399 -11.255 -1.511 308 1HG2 ILE 38 3HG2 ILE 38 2.553 -10.716 -4.022 309 2HG2 ILE 38 1HG2 ILE 38 3.204 -9.233 -3.295 310 3HG2 ILE 38 2HG2 ILE 38 4.310 -10.394 -3.969 311 1HD1 ILE 38 3HD1 ILE 38 3.454 -10.122 0.429 312 2HD1 ILE 38 1HD1 ILE 38 1.721 -9.973 0.698 313 3HD1 ILE 38 2HD1 ILE 38 2.451 -11.590 0.589 314 H LYS 39 H LYS 39 2.702 -13.370 -4.513 315 HA LYS 39 HA LYS 39 4.673 -14.517 -5.856 316 1HB LYS 39 1HB LYS 39 2.349 -12.909 -6.626 317 2HB LYS 39 2HB LYS 39 3.608 -12.978 -7.861 318 1HG LYS 39 1HG LYS 39 2.769 -15.555 -6.557 319 2HG LYS 39 2HG LYS 39 1.680 -14.812 -7.724 320 1HD LYS 39 1HD LYS 39 4.625 -15.198 -8.343 321 2HD LYS 39 2HD LYS 39 3.491 -16.545 -8.475 322 1HE LYS 39 1HE LYS 39 2.167 -15.463 -10.130 323 2HE LYS 39 2HE LYS 39 2.977 -13.905 -9.906 324 1HZ LYS 39 1HZ LYS 39 4.460 -16.279 -10.797 325 2HZ LYS 39 2HZ LYS 39 3.678 -15.361 -11.880 326 3HZ LYS 39 3HZ LYS 39 4.890 -14.710 -10.974 327 H GLN 40 H GLN 40 6.691 -13.949 -6.604 328 HA GLN 40 HA GLN 40 7.868 -11.606 -5.617 329 1HB GLN 40 1HB GLN 40 8.950 -13.832 -6.289 330 2HB GLN 40 2HB GLN 40 8.911 -13.263 -7.955 331 1HG GLN 40 1HG GLN 40 11.115 -12.861 -7.029 332 2HG GLN 40 2HG GLN 40 10.329 -11.318 -7.313 333 1HE2 GLN 40 2HE2 GLN 40 10.127 -12.207 -3.280 334 2HE2 GLN 40 1HE2 GLN 40 9.394 -13.258 -4.437 335 H GLY 41 H GLY 41 7.982 -9.512 -6.357 336 1HA GLY 41 1HA GLY 41 8.221 -7.849 -7.940 337 2HA GLY 41 2HA GLY 41 7.731 -8.946 -9.228 338 H LEU 42 H LEU 42 5.299 -9.439 -6.852 339 HA LEU 42 HA LEU 42 3.546 -7.613 -8.230 340 1HB LEU 42 1HB LEU 42 3.124 -9.271 -5.763 341 2HB LEU 42 2HB LEU 42 1.930 -8.265 -6.516 342 HG LEU 42 HG LEU 42 3.097 -10.820 -7.588 343 1HD1 LEU 42 2HD1 LEU 42 1.188 -10.787 -5.949 344 2HD1 LEU 42 3HD1 LEU 42 0.265 -9.831 -7.138 345 3HD1 LEU 42 1HD1 LEU 42 0.781 -11.473 -7.540 346 1HD2 LEU 42 3HD2 LEU 42 1.376 -8.805 -9.072 347 2HD2 LEU 42 1HD2 LEU 42 2.978 -9.430 -9.565 348 3HD2 LEU 42 2HD2 LEU 42 1.575 -10.510 -9.528 349 H LEU 43 H LEU 43 5.504 -7.515 -5.280 350 HA LEU 43 HA LEU 43 3.685 -5.592 -4.015 351 1HB LEU 43 1HB LEU 43 5.113 -7.661 -2.932 352 2HB LEU 43 2HB LEU 43 6.240 -6.361 -2.707 353 HG LEU 43 HG LEU 43 5.226 -6.174 -0.720 354 1HD1 LEU 43 3HD1 LEU 43 4.571 -4.030 -1.799 355 2HD1 LEU 43 1HD1 LEU 43 3.006 -4.717 -2.219 356 3HD1 LEU 43 2HD1 LEU 43 3.465 -4.541 -0.530 357 1HD2 LEU 43 3HD2 LEU 43 2.726 -7.402 -1.890 358 2HD2 LEU 43 1HD2 LEU 43 3.924 -8.127 -0.820 359 3HD2 LEU 43 2HD2 LEU 43 2.878 -6.857 -0.200 360 H GLU 44 H GLU 44 3.949 -3.399 -4.456 361 HA GLU 44 HA GLU 44 6.701 -2.438 -4.941 362 1HB GLU 44 1HB GLU 44 5.345 -2.524 -7.043 363 2HB GLU 44 2HB GLU 44 4.209 -1.374 -6.298 364 1HG GLU 44 1HG GLU 44 6.133 0.196 -5.909 365 2HG GLU 44 2HG GLU 44 7.220 -0.951 -6.675 366 H PHE 45 H PHE 45 7.263 -0.743 -3.726 367 HA PHE 45 HA PHE 45 5.203 0.624 -2.077 368 1HB PHE 45 1HB PHE 45 8.129 0.529 -1.326 369 2HB PHE 45 2HB PHE 45 6.740 0.900 -0.345 370 HD1 PHE 45 2HD PHE 45 4.977 -1.015 0.032 371 HD2 PHE 45 1HD PHE 45 9.081 -1.679 -1.070 372 HE1 PHE 45 2HE PHE 45 4.828 -3.321 0.903 373 HE2 PHE 45 1HE PHE 45 8.933 -3.997 -0.187 374 HZ PHE 45 HZ PHE 45 6.790 -4.837 0.760 375 H VAL 46 H VAL 46 5.148 2.868 -2.364 376 HA VAL 46 HA VAL 46 6.874 3.981 -4.481 377 HB VAL 46 HB VAL 46 3.871 4.169 -4.167 378 1HG1 VAL 46 3HG1 VAL 46 5.797 5.220 -6.265 379 2HG1 VAL 46 1HG1 VAL 46 4.022 5.206 -6.423 380 3HG1 VAL 46 2HG1 VAL 46 4.782 6.167 -5.155 381 1HG2 VAL 46 2HG2 VAL 46 5.527 2.611 -6.202 382 2HG2 VAL 46 3HG2 VAL 46 4.465 1.909 -4.958 383 3HG2 VAL 46 1HG2 VAL 46 3.765 2.847 -6.268 384 H ASP 47 H ASP 47 7.992 5.569 -3.608 385 HA ASP 47 HA ASP 47 7.352 6.904 -1.186 386 1HB ASP 47 1HB ASP 47 9.607 6.474 -2.157 387 2HB ASP 47 2HB ASP 47 9.314 7.749 -3.338 388 H ILE 48 H ILE 48 5.971 8.541 -0.829 389 HA ILE 48 HA ILE 48 4.750 10.117 -2.975 390 HB ILE 48 HB ILE 48 3.561 11.279 -1.223 391 1HG1 ILE 48 1HG1 ILE 48 4.834 9.547 0.907 392 2HG1 ILE 48 2HG1 ILE 48 5.237 11.219 0.621 393 1HG2 ILE 48 2HG2 ILE 48 2.881 9.003 -2.210 394 2HG2 ILE 48 3HG2 ILE 48 3.509 8.246 -0.746 395 3HG2 ILE 48 1HG2 ILE 48 2.146 9.374 -0.646 396 1HD1 ILE 48 1HD1 ILE 48 2.764 11.784 0.983 397 2HD1 ILE 48 2HD1 ILE 48 2.526 10.114 1.469 398 3HD1 ILE 48 3HD1 ILE 48 3.610 11.139 2.411 399 H THR 49 H THR 49 7.603 10.423 -1.063 400 HA THR 49 HA THR 49 7.699 13.348 -1.360 401 HB THR 49 HB THR 49 9.535 13.281 0.103 402 HG1 THR 49 HG1 THR 49 9.596 10.444 -0.228 403 1HG2 THR 49 3HG2 THR 49 7.372 12.867 1.256 404 2HG2 THR 49 1HG2 THR 49 7.657 11.114 1.153 405 3HG2 THR 49 2HG2 THR 49 8.736 12.137 2.101 406 H ALA 50 H ALA 50 8.311 10.746 -3.354 407 HA ALA 50 HA ALA 50 10.833 11.006 -4.383 408 1HB ALA 50 3HB ALA 50 9.256 9.239 -5.031 409 2HB ALA 50 1HB ALA 50 8.275 10.407 -5.938 410 3HB ALA 50 2HB ALA 50 9.933 10.029 -6.457 411 H THR 51 H THR 51 7.962 12.711 -5.751 412 HA THR 51 HA THR 51 9.521 15.116 -5.947 413 HB THR 51 HB THR 51 9.859 13.580 -8.124 414 HG1 THR 51 HG1 THR 51 10.046 16.392 -7.956 415 1HG2 THR 51 3HG2 THR 51 7.939 15.799 -8.836 416 2HG2 THR 51 1HG2 THR 51 8.973 14.886 -9.965 417 3HG2 THR 51 2HG2 THR 51 7.694 14.033 -9.064 418 H ASN 52 H ASN 52 6.537 13.996 -7.526 419 HA ASN 52 HA ASN 52 5.273 16.118 -7.965 420 1HB ASN 52 1HB ASN 52 4.199 14.108 -8.490 421 2HB ASN 52 2HB ASN 52 3.947 13.675 -6.793 422 1HD2 ASN 52 2HD2 ASN 52 0.752 15.218 -6.791 423 2HD2 ASN 52 1HD2 ASN 52 1.757 13.897 -6.230 424 H HIS 53 H HIS 53 3.773 14.951 -4.938 425 HA HIS 53 HA HIS 53 4.476 17.226 -3.352 426 1HB HIS 53 1HB HIS 53 1.741 17.184 -4.656 427 2HB HIS 53 2HB HIS 53 1.992 17.837 -3.028 428 HD1 HIS 53 1HD HIS 53 2.047 19.046 -6.502 429 HD2 HIS 53 2HD HIS 53 4.108 19.768 -2.887 430 HE1 HIS 53 1HE HIS 53 3.322 21.231 -6.806 431 H THR 54 H THR 54 5.019 15.619 -1.810 432 HA THR 54 HA THR 54 3.603 13.331 -1.216 433 HB THR 54 HB THR 54 5.531 13.248 -0.033 434 HG1 THR 54 HG1 THR 54 3.979 12.836 1.572 435 1HG2 THR 54 1HG2 THR 54 5.046 16.050 0.917 436 2HG2 THR 54 2HG2 THR 54 6.385 14.991 1.418 437 3HG2 THR 54 3HG2 THR 54 6.247 15.478 -0.288 438 H ASN 55 H ASN 55 3.391 16.316 0.536 439 HA ASN 55 HA ASN 55 1.129 15.716 2.089 440 1HB ASN 55 1HB ASN 55 3.009 17.671 2.173 441 2HB ASN 55 2HB ASN 55 1.618 18.579 1.588 442 1HD2 ASN 55 2HD2 ASN 55 0.292 18.677 4.887 443 2HD2 ASN 55 1HD2 ASN 55 0.216 19.318 3.241 444 H GLU 56 H GLU 56 1.000 16.333 -1.329 445 HA GLU 56 HA GLU 56 -1.850 17.062 -1.065 446 1HB GLU 56 1HB GLU 56 -1.912 17.850 -3.076 447 2HB GLU 56 2HB GLU 56 -0.169 17.961 -2.994 448 1HG GLU 56 1HG GLU 56 -0.045 15.684 -3.973 449 2HG GLU 56 2HG GLU 56 -1.794 15.607 -4.062 450 H ILE 57 H ILE 57 0.429 14.425 -1.783 451 HA ILE 57 HA ILE 57 -1.551 12.796 -3.009 452 HB ILE 57 HB ILE 57 1.288 12.308 -1.969 453 1HG1 ILE 57 1HG1 ILE 57 0.249 11.716 -4.779 454 2HG1 ILE 57 2HG1 ILE 57 0.659 13.372 -4.323 455 1HG2 ILE 57 1HG2 ILE 57 -0.767 10.292 -2.976 456 2HG2 ILE 57 2HG2 ILE 57 0.967 9.943 -3.027 457 3HG2 ILE 57 3HG2 ILE 57 0.171 10.246 -1.486 458 1HD1 ILE 57 1HD1 ILE 57 2.583 11.016 -4.157 459 2HD1 ILE 57 2HD1 ILE 57 2.551 12.252 -5.421 460 3HD1 ILE 57 3HD1 ILE 57 2.951 12.704 -3.752 461 H GLN 58 H GLN 58 -0.082 12.806 0.203 462 HA GLN 58 HA GLN 58 -1.564 10.665 1.310 463 1HB GLN 58 1HB GLN 58 -0.953 11.546 3.468 464 2HB GLN 58 2HB GLN 58 0.359 11.481 2.301 465 1HG GLN 58 1HG GLN 58 0.810 13.396 3.377 466 2HG GLN 58 2HG GLN 58 0.086 13.914 1.898 467 1HE2 GLN 58 2HE2 GLN 58 -2.850 14.381 4.657 468 2HE2 GLN 58 1HE2 GLN 58 -2.244 12.758 4.416 469 H ASP 59 H ASP 59 -2.186 14.048 1.213 470 HA ASP 59 HA ASP 59 -4.696 14.280 2.455 471 1HB ASP 59 1HB ASP 59 -3.133 16.070 1.405 472 2HB ASP 59 2HB ASP 59 -4.051 15.874 -0.060 473 H TYR 60 H TYR 60 -4.128 14.009 -0.956 474 HA TYR 60 HA TYR 60 -6.715 13.627 -1.950 475 1HB TYR 60 1HB TYR 60 -4.651 14.153 -3.213 476 2HB TYR 60 2HB TYR 60 -4.105 12.493 -3.015 477 HD1 TYR 60 2HD TYR 60 -5.726 10.630 -4.072 478 HD2 TYR 60 1HD TYR 60 -5.522 14.785 -5.308 479 HE1 TYR 60 2HE TYR 60 -6.789 10.070 -6.230 480 HE2 TYR 60 1HE TYR 60 -6.592 14.188 -7.421 481 HH TYR 60 HH TYR 60 -7.963 11.019 -8.061 482 H LEU 61 H LEU 61 -4.601 11.169 -0.418 483 HA LEU 61 HA LEU 61 -6.104 8.873 -1.283 484 1HB LEU 61 1HB LEU 61 -4.485 9.333 1.241 485 2HB LEU 61 2HB LEU 61 -5.338 7.862 0.914 486 HG LEU 61 HG LEU 61 -3.007 8.912 -0.776 487 1HD1 LEU 61 2HD1 LEU 61 -3.380 6.870 1.453 488 2HD1 LEU 61 3HD1 LEU 61 -2.044 6.746 0.299 489 3HD1 LEU 61 1HD1 LEU 61 -2.256 8.183 1.367 490 1HD2 LEU 61 3HD2 LEU 61 -4.936 6.560 -1.023 491 2HD2 LEU 61 1HD2 LEU 61 -4.396 7.722 -2.246 492 3HD2 LEU 61 2HD2 LEU 61 -3.276 6.486 -1.675 493 H GLN 62 H GLN 62 -6.776 11.324 1.215 494 HA GLN 62 HA GLN 62 -8.742 9.809 2.609 495 1HB GLN 62 1HB GLN 62 -7.643 12.167 3.113 496 2HB GLN 62 2HB GLN 62 -9.011 12.786 2.203 497 1HG GLN 62 1HG GLN 62 -10.529 11.478 3.756 498 2HG GLN 62 2HG GLN 62 -9.112 11.027 4.703 499 1HE2 GLN 62 2HE2 GLN 62 -10.486 14.970 4.774 500 2HE2 GLN 62 1HE2 GLN 62 -11.001 13.843 3.546 501 H GLN 63 H GLN 63 -8.792 11.701 -0.364 502 HA GLN 63 HA GLN 63 -11.654 11.477 -0.774 503 1HB GLN 63 1HB GLN 63 -9.761 13.229 -1.674 504 2HB GLN 63 2HB GLN 63 -9.738 12.097 -3.018 505 1HG GLN 63 1HG GLN 63 -11.371 13.545 -3.730 506 2HG GLN 63 2HG GLN 63 -12.383 12.367 -2.900 507 1HE2 GLN 63 2HE2 GLN 63 -13.325 14.722 -0.312 508 2HE2 GLN 63 1HE2 GLN 63 -13.154 13.018 -0.541 509 H LEU 64 H LEU 64 -8.720 9.980 -2.167 510 HA LEU 64 HA LEU 64 -10.182 8.488 -4.137 511 1HB LEU 64 1HB LEU 64 -8.080 9.160 -4.773 512 2HB LEU 64 2HB LEU 64 -7.338 8.700 -3.254 513 HG LEU 64 HG LEU 64 -7.528 6.277 -3.892 514 1HD1 LEU 64 1HD1 LEU 64 -9.321 6.563 -5.664 515 2HD1 LEU 64 2HD1 LEU 64 -8.160 7.438 -6.661 516 3HD1 LEU 64 3HD1 LEU 64 -7.891 5.724 -6.271 517 1HD2 LEU 64 3HD2 LEU 64 -5.429 7.600 -4.199 518 2HD2 LEU 64 1HD2 LEU 64 -5.618 6.327 -5.409 519 3HD2 LEU 64 2HD2 LEU 64 -5.951 8.009 -5.845 520 H THR 65 H THR 65 -8.945 7.526 -0.861 521 HA THR 65 HA THR 65 -10.519 5.036 -1.234 522 HB THR 65 HB THR 65 -9.032 3.889 0.229 523 HG1 THR 65 HG1 THR 65 -7.948 4.937 1.609 524 1HG2 THR 65 2HG2 THR 65 -8.409 4.237 -2.225 525 2HG2 THR 65 3HG2 THR 65 -7.157 5.358 -1.606 526 3HG2 THR 65 1HG2 THR 65 -7.206 3.649 -1.083 527 H GLY 66 H GLY 66 -9.329 7.232 1.371 528 1HA GLY 66 1HA GLY 66 -11.832 7.874 2.452 529 2HA GLY 66 2HA GLY 66 -11.407 6.311 3.145 530 H ALA 67 H ALA 67 -8.467 6.864 3.302 531 HA ALA 67 HA ALA 67 -8.579 8.753 5.604 532 1HB ALA 67 2HB ALA 67 -8.312 6.405 6.330 533 2HB ALA 67 3HB ALA 67 -6.893 6.243 5.261 534 3HB ALA 67 1HB ALA 67 -6.844 7.346 6.639 535 H ARG 68 H ARG 68 -6.807 10.077 5.909 536 HA ARG 68 HA ARG 68 -5.488 10.811 3.389 537 1HB ARG 68 1HB ARG 68 -5.175 12.906 4.293 538 2HB ARG 68 2HB ARG 68 -6.675 12.390 5.036 539 1HG ARG 68 1HG ARG 68 -4.890 11.589 6.976 540 2HG ARG 68 2HG ARG 68 -4.023 12.945 6.248 541 1HD ARG 68 1HD ARG 68 -6.206 14.297 6.456 542 2HD ARG 68 2HD ARG 68 -6.839 12.972 7.427 543 HE ARG 68 HE ARG 68 -5.659 13.722 9.211 544 1HH1 ARG 68 2HH2 ARG 68 -4.408 15.515 6.344 545 2HH1 ARG 68 1HH2 ARG 68 -3.376 16.496 7.338 546 1HH2 ARG 68 2HH1 ARG 68 -4.385 15.153 10.392 547 2HH2 ARG 68 1HH1 ARG 68 -3.345 16.305 9.572 548 H THR 69 H THR 69 -4.628 8.357 5.066 549 HA THR 69 HA THR 69 -2.103 9.324 6.226 550 HB THR 69 HB THR 69 -2.380 7.182 7.544 551 HG1 THR 69 HG1 THR 69 -4.519 6.359 7.576 552 1HG2 THR 69 3HG2 THR 69 -2.982 9.442 8.408 553 2HG2 THR 69 1HG2 THR 69 -4.631 9.226 7.779 554 3HG2 THR 69 2HG2 THR 69 -4.007 8.170 9.065 555 H VAL 70 H VAL 70 -0.313 7.917 6.272 556 HA VAL 70 HA VAL 70 -0.051 5.956 4.166 557 HB VAL 70 HB VAL 70 2.348 6.995 4.090 558 1HG1 VAL 70 3HG1 VAL 70 0.611 6.856 2.297 559 2HG1 VAL 70 1HG1 VAL 70 -0.001 8.446 2.809 560 3HG1 VAL 70 2HG1 VAL 70 1.669 8.273 2.183 561 1HG2 VAL 70 3HG2 VAL 70 1.891 8.807 5.895 562 2HG2 VAL 70 1HG2 VAL 70 2.346 9.513 4.327 563 3HG2 VAL 70 2HG2 VAL 70 0.673 9.518 4.833 564 HA PRO 71 HA PRO 71 1.715 4.406 3.782 565 1HB PRO 71 1HB PRO 71 1.617 1.680 4.305 566 2HB PRO 71 2HB PRO 71 3.097 2.634 4.596 567 1HG PRO 71 1HG PRO 71 0.949 1.876 6.588 568 2HG PRO 71 2HG PRO 71 2.723 1.771 6.778 569 1HD PRO 71 1HD PRO 71 1.306 3.842 7.793 570 2HD PRO 71 2HD PRO 71 2.958 4.060 7.135 571 H ARG 72 H ARG 72 0.088 3.352 2.381 572 HA ARG 72 HA ARG 72 -2.371 2.330 3.659 573 1HB ARG 72 1HB ARG 72 -2.770 4.724 3.555 574 2HB ARG 72 2HB ARG 72 -2.306 4.809 1.879 575 1HG ARG 72 1HG ARG 72 -4.514 2.869 2.435 576 2HG ARG 72 2HG ARG 72 -4.893 4.514 2.934 577 1HD ARG 72 1HD ARG 72 -5.556 3.921 0.564 578 2HD ARG 72 2HD ARG 72 -4.643 5.388 0.765 579 HE ARG 72 HE ARG 72 -2.596 3.869 0.293 580 1HH1 ARG 72 2HH2 ARG 72 -5.606 3.737 -1.426 581 2HH1 ARG 72 1HH2 ARG 72 -5.053 2.744 -2.728 582 1HH2 ARG 72 2HH1 ARG 72 -1.813 2.390 -1.190 583 2HH2 ARG 72 1HH1 ARG 72 -2.740 1.930 -2.577 584 H VAL 73 H VAL 73 -3.120 0.621 2.466 585 HA VAL 73 HA VAL 73 -1.305 -0.175 0.254 586 HB VAL 73 HB VAL 73 -2.924 -1.657 2.334 587 1HG1 VAL 73 1HG1 VAL 73 -1.266 -2.862 0.074 588 2HG1 VAL 73 2HG1 VAL 73 -1.859 -3.757 1.489 589 3HG1 VAL 73 3HG1 VAL 73 -3.001 -3.056 0.360 590 1HG2 VAL 73 2HG2 VAL 73 0.073 -1.373 2.045 591 2HG2 VAL 73 3HG2 VAL 73 -0.954 -0.736 3.353 592 3HG2 VAL 73 1HG2 VAL 73 -0.739 -2.467 3.155 593 H PHE 74 H PHE 74 -2.083 -0.580 -1.744 594 HA PHE 74 HA PHE 74 -4.969 -1.084 -2.169 595 1HB PHE 74 1HB PHE 74 -2.736 -0.250 -4.059 596 2HB PHE 74 2HB PHE 74 -4.140 -1.114 -4.633 597 HD1 PHE 74 1HD PHE 74 -6.467 0.040 -3.482 598 HD2 PHE 74 2HD PHE 74 -2.853 2.002 -4.744 599 HE1 PHE 74 1HE PHE 74 -7.757 2.067 -3.985 600 HE2 PHE 74 2HE PHE 74 -4.166 4.073 -5.206 601 HZ PHE 74 HZ PHE 74 -6.629 4.087 -4.878 602 H ILE 75 H ILE 75 -5.391 -3.262 -2.329 603 HA ILE 75 HA ILE 75 -3.245 -5.067 -3.304 604 HB ILE 75 HB ILE 75 -5.063 -5.407 -1.013 605 1HG1 ILE 75 1HG1 ILE 75 -3.572 -7.526 -0.760 606 2HG1 ILE 75 2HG1 ILE 75 -2.613 -6.812 -2.073 607 1HG2 ILE 75 3HG2 ILE 75 -5.011 -7.549 -3.162 608 2HG2 ILE 75 1HG2 ILE 75 -5.580 -7.816 -1.528 609 3HG2 ILE 75 2HG2 ILE 75 -6.459 -6.696 -2.554 610 1HD1 ILE 75 3HD1 ILE 75 -2.146 -4.930 -0.615 611 2HD1 ILE 75 1HD1 ILE 75 -3.099 -5.684 0.693 612 3HD1 ILE 75 2HD1 ILE 75 -1.627 -6.460 0.098 613 H GLY 76 H GLY 76 -3.573 -5.187 -5.455 614 1HA GLY 76 1HA GLY 76 -4.582 -5.164 -7.497 615 2HA GLY 76 2HA GLY 76 -5.896 -6.050 -6.710 616 H LYS 77 H LYS 77 -4.700 -2.659 -6.708 617 HA LYS 77 HA LYS 77 -5.630 -0.696 -6.486 618 1HB LYS 77 1HB LYS 77 -6.395 -1.691 -8.973 619 2HB LYS 77 2HB LYS 77 -7.925 -1.130 -8.291 620 1HG LYS 77 1HG LYS 77 -6.454 1.000 -7.620 621 2HG LYS 77 2HG LYS 77 -5.391 0.389 -8.884 622 1HD LYS 77 1HD LYS 77 -8.298 1.212 -9.218 623 2HD LYS 77 2HD LYS 77 -6.866 2.113 -9.743 624 1HE LYS 77 1HE LYS 77 -6.265 0.074 -11.188 625 2HE LYS 77 2HE LYS 77 -7.893 -0.539 -10.833 626 1HZ LYS 77 3HZ LYS 77 -8.754 1.551 -11.798 627 2HZ LYS 77 1HZ LYS 77 -7.215 1.993 -12.183 628 3HZ LYS 77 2HZ LYS 77 -7.886 0.671 -12.886 629 H ASP 78 H ASP 78 -7.335 -3.143 -5.011 630 HA ASP 78 HA ASP 78 -9.528 -1.339 -4.125 631 1HB ASP 78 1HB ASP 78 -9.915 -3.792 -4.799 632 2HB ASP 78 2HB ASP 78 -9.087 -4.220 -3.292 633 H CYS 79 H CYS 79 -9.595 -0.734 -1.815 634 HA CYS 79 HA CYS 79 -6.831 -0.701 -0.743 635 1HB CYS 79 1HB CYS 79 -7.764 1.473 -1.420 636 2HB CYS 79 2HB CYS 79 -8.969 1.355 -0.133 637 HG CYS 79 HG CYS 79 -5.731 0.819 0.307 638 H ILE 80 H ILE 80 -6.324 -1.737 1.024 639 HA ILE 80 HA ILE 80 -8.395 -3.187 2.452 640 HB ILE 80 HB ILE 80 -6.693 -4.511 3.232 641 1HG1 ILE 80 1HG1 ILE 80 -4.180 -3.718 2.738 642 2HG1 ILE 80 2HG1 ILE 80 -4.919 -2.119 2.879 643 1HG2 ILE 80 2HG2 ILE 80 -6.981 -4.493 0.678 644 2HG2 ILE 80 3HG2 ILE 80 -5.461 -3.596 0.606 645 3HG2 ILE 80 1HG2 ILE 80 -5.494 -5.220 1.321 646 1HD1 ILE 80 2HD1 ILE 80 -5.799 -2.943 5.187 647 2HD1 ILE 80 3HD1 ILE 80 -4.731 -4.326 4.948 648 3HD1 ILE 80 1HD1 ILE 80 -4.066 -2.676 5.020 649 H GLY 81 H GLY 81 -6.584 -0.267 2.943 650 1HA GLY 81 1HA GLY 81 -7.602 1.149 4.813 651 2HA GLY 81 2HA GLY 81 -7.227 -0.243 5.832 652 H GLY 82 H GLY 82 -5.969 1.248 6.995 653 1HA GLY 82 1HA GLY 82 -3.395 2.205 5.812 654 2HA GLY 82 2HA GLY 82 -4.153 2.780 7.316 655 H CYS 83 H CYS 83 -1.990 2.311 8.393 656 HA CYS 83 HA CYS 83 -0.927 -0.370 8.237 657 1HB CYS 83 1HB CYS 83 0.389 0.483 10.332 658 2HB CYS 83 2HB CYS 83 0.792 1.077 8.723 659 HG CYS 83 HG CYS 83 0.916 2.974 10.628 660 H SER 84 H SER 84 -3.176 1.347 10.443 661 HA SER 84 HA SER 84 -2.974 -0.547 12.485 662 1HB SER 84 1HB SER 84 -5.367 1.171 11.720 663 2HB SER 84 2HB SER 84 -5.230 0.253 13.229 664 HG SER 84 HG SER 84 -3.617 2.440 12.351 665 H ASP 85 H ASP 85 -5.084 -0.447 9.645 666 HA ASP 85 HA ASP 85 -6.610 -2.849 10.129 667 1HB ASP 85 1HB ASP 85 -5.802 -1.394 7.522 668 2HB ASP 85 2HB ASP 85 -7.050 -2.621 7.645 669 H LEU 86 H LEU 86 -3.795 -2.052 8.073 670 HA LEU 86 HA LEU 86 -3.313 -4.519 6.973 671 1HB LEU 86 1HB LEU 86 -2.217 -2.312 6.420 672 2HB LEU 86 2HB LEU 86 -1.247 -2.492 7.887 673 HG LEU 86 HG LEU 86 -0.279 -4.603 6.924 674 1HD1 LEU 86 1HD1 LEU 86 -1.899 -3.758 4.487 675 2HD1 LEU 86 2HD1 LEU 86 -0.549 -4.920 4.448 676 3HD1 LEU 86 3HD1 LEU 86 -1.996 -5.281 5.377 677 1HD2 LEU 86 1HD2 LEU 86 0.836 -2.422 6.849 678 2HD2 LEU 86 2HD2 LEU 86 1.218 -3.357 5.416 679 3HD2 LEU 86 3HD2 LEU 86 0.033 -2.033 5.318 680 H VAL 87 H VAL 87 -2.167 -3.379 10.243 681 HA VAL 87 HA VAL 87 -0.600 -5.626 10.832 682 HB VAL 87 HB VAL 87 -2.104 -3.478 12.368 683 1HG1 VAL 87 1HG1 VAL 87 -0.385 -5.690 13.521 684 2HG1 VAL 87 2HG1 VAL 87 -0.870 -4.205 14.394 685 3HG1 VAL 87 3HG1 VAL 87 -2.105 -5.353 13.855 686 1HG2 VAL 87 2HG2 VAL 87 0.080 -2.982 11.051 687 2HG2 VAL 87 3HG2 VAL 87 0.006 -2.492 12.749 688 3HG2 VAL 87 1HG2 VAL 87 0.884 -3.960 12.288 689 H SER 88 H SER 88 -4.150 -4.984 11.678 690 HA SER 88 HA SER 88 -4.583 -7.606 12.639 691 1HB SER 88 1HB SER 88 -6.940 -7.309 11.743 692 2HB SER 88 2HB SER 88 -6.377 -6.329 13.101 693 HG SER 88 HG SER 88 -6.037 -5.168 10.591 694 H LEU 89 H LEU 89 -5.065 -6.479 9.246 695 HA LEU 89 HA LEU 89 -5.926 -9.003 8.370 696 1HB LEU 89 1HB LEU 89 -4.623 -6.691 6.876 697 2HB LEU 89 2HB LEU 89 -5.222 -8.157 6.126 698 HG LEU 89 HG LEU 89 -7.485 -7.717 7.087 699 1HD1 LEU 89 3HD1 LEU 89 -6.410 -4.889 7.287 700 2HD1 LEU 89 1HD1 LEU 89 -8.122 -5.345 7.349 701 3HD1 LEU 89 2HD1 LEU 89 -7.061 -5.882 8.634 702 1HD2 LEU 89 3HD2 LEU 89 -6.243 -5.981 4.933 703 2HD2 LEU 89 1HD2 LEU 89 -7.040 -7.567 4.735 704 3HD2 LEU 89 2HD2 LEU 89 -7.982 -6.137 5.172 705 H GLN 90 H GLN 90 -2.550 -7.787 8.874 706 HA GLN 90 HA GLN 90 -1.376 -10.088 7.589 707 1HB GLN 90 1HB GLN 90 -0.208 -7.901 7.980 708 2HB GLN 90 2HB GLN 90 -0.241 -8.195 9.702 709 1HG GLN 90 1HG GLN 90 0.927 -10.512 8.361 710 2HG GLN 90 2HG GLN 90 1.696 -9.066 7.758 711 1HE2 GLN 90 2HE2 GLN 90 3.507 -10.503 10.804 712 2HE2 GLN 90 1HE2 GLN 90 2.869 -11.213 9.346 713 H GLN 91 H GLN 91 -1.966 -9.198 11.084 714 HA GLN 91 HA GLN 91 -0.739 -11.452 12.169 715 1HB GLN 91 1HB GLN 91 -1.935 -8.970 12.980 716 2HB GLN 91 2HB GLN 91 -2.792 -10.180 13.872 717 1HG GLN 91 1HG GLN 91 0.223 -10.214 13.728 718 2HG GLN 91 2HG GLN 91 -0.616 -9.037 14.720 719 1HE2 GLN 91 2HE2 GLN 91 -0.960 -11.395 17.344 720 2HE2 GLN 91 1HE2 GLN 91 -0.813 -9.700 16.875 721 H SER 92 H SER 92 -4.232 -10.644 11.936 722 HA SER 92 HA SER 92 -5.184 -13.256 12.754 723 1HB SER 92 1HB SER 92 -6.232 -10.689 12.523 724 2HB SER 92 2HB SER 92 -6.928 -11.484 11.111 725 HG SER 92 HG SER 92 -7.901 -12.976 12.460 726 H GLY 93 H GLY 93 -3.888 -11.902 9.845 727 1HA GLY 93 1HA GLY 93 -3.331 -12.950 7.952 728 2HA GLY 93 2HA GLY 93 -4.185 -14.409 8.476 729 H GLU 94 H GLU 94 -6.217 -11.432 8.457 730 HA GLU 94 HA GLU 94 -7.778 -12.672 6.386 731 1HB GLU 94 1HB GLU 94 -8.650 -11.236 8.188 732 2HB GLU 94 2HB GLU 94 -7.926 -9.827 7.413 733 1HG GLU 94 1HG GLU 94 -9.351 -10.096 5.461 734 2HG GLU 94 2HG GLU 94 -9.877 -11.694 5.997 735 H LEU 95 H LEU 95 -4.984 -10.592 6.287 736 HA LEU 95 HA LEU 95 -5.323 -9.559 3.631 737 1HB LEU 95 1HB LEU 95 -3.440 -8.943 5.511 738 2HB LEU 95 2HB LEU 95 -2.545 -10.124 4.634 739 HG LEU 95 HG LEU 95 -3.136 -8.783 2.488 740 1HD1 LEU 95 2HD1 LEU 95 -4.020 -6.685 4.506 741 2HD1 LEU 95 3HD1 LEU 95 -3.808 -6.433 2.769 742 3HD1 LEU 95 1HD1 LEU 95 -5.084 -7.495 3.335 743 1HD2 LEU 95 2HD2 LEU 95 -1.528 -7.500 4.722 744 2HD2 LEU 95 3HD2 LEU 95 -0.962 -8.508 3.375 745 3HD2 LEU 95 1HD2 LEU 95 -1.564 -6.892 3.045 746 H LEU 96 H LEU 96 -4.464 -12.788 4.796 747 HA LEU 96 HA LEU 96 -2.930 -13.498 2.459 748 1HB LEU 96 1HB LEU 96 -4.441 -15.180 4.504 749 2HB LEU 96 2HB LEU 96 -3.705 -15.891 3.088 750 HG LEU 96 HG LEU 96 -2.348 -16.189 5.050 751 1HD1 LEU 96 3HD1 LEU 96 -1.272 -16.108 2.854 752 2HD1 LEU 96 1HD1 LEU 96 -0.942 -14.364 3.068 753 3HD1 LEU 96 2HD1 LEU 96 -0.195 -15.567 4.141 754 1HD2 LEU 96 3HD2 LEU 96 -2.903 -14.156 6.251 755 2HD2 LEU 96 1HD2 LEU 96 -1.171 -14.436 6.188 756 3HD2 LEU 96 2HD2 LEU 96 -1.902 -13.186 5.145 757 H THR 97 H THR 97 -6.372 -14.059 3.364 758 HA THR 97 HA THR 97 -7.239 -15.023 0.854 759 HB THR 97 HB THR 97 -8.649 -13.359 2.995 760 HG1 THR 97 HG1 THR 97 -8.850 -16.138 2.705 761 1HG2 THR 97 2HG2 THR 97 -9.859 -15.211 0.899 762 2HG2 THR 97 3HG2 THR 97 -10.717 -14.411 2.245 763 3HG2 THR 97 1HG2 THR 97 -10.018 -13.441 0.947 764 H ARG 98 H ARG 98 -7.189 -11.648 2.149 765 HA ARG 98 HA ARG 98 -8.217 -10.202 0.013 766 1HB ARG 98 1HB ARG 98 -7.401 -9.419 2.272 767 2HB ARG 98 2HB ARG 98 -5.802 -9.273 1.532 768 1HG ARG 98 1HG ARG 98 -6.350 -7.400 0.457 769 2HG ARG 98 2HG ARG 98 -7.817 -8.090 -0.245 770 1HD ARG 98 1HD ARG 98 -7.490 -6.892 2.498 771 2HD ARG 98 2HD ARG 98 -8.263 -6.147 1.082 772 HE ARG 98 HE ARG 98 -9.368 -8.008 3.001 773 1HH1 ARG 98 2HH2 ARG 98 -9.989 -6.332 -0.051 774 2HH1 ARG 98 1HH2 ARG 98 -11.633 -6.821 -0.111 775 1HH2 ARG 98 2HH1 ARG 98 -11.537 -8.523 2.992 776 2HH2 ARG 98 1HH1 ARG 98 -12.530 -8.184 1.627 777 H LEU 99 H LEU 99 -4.795 -11.197 0.463 778 HA LEU 99 HA LEU 99 -3.853 -10.161 -2.047 779 1HB LEU 99 1HB LEU 99 -2.848 -12.071 0.106 780 2HB LEU 99 2HB LEU 99 -1.900 -11.840 -1.339 781 HG LEU 99 HG LEU 99 -2.742 -9.466 0.347 782 1HD1 LEU 99 2HD1 LEU 99 -0.254 -11.203 0.610 783 2HD1 LEU 99 3HD1 LEU 99 -0.490 -9.625 1.400 784 3HD1 LEU 99 1HD1 LEU 99 -1.524 -10.998 1.824 785 1HD2 LEU 99 2HD2 LEU 99 -0.492 -9.980 -1.645 786 2HD2 LEU 99 3HD2 LEU 99 -1.938 -9.024 -1.953 787 3HD2 LEU 99 1HD2 LEU 99 -0.752 -8.469 -0.753 788 H LYS 100 H LYS 100 -4.644 -13.552 -0.986 789 HA LYS 100 HA LYS 100 -3.746 -14.560 -3.499 790 1HB LYS 100 1HB LYS 100 -4.979 -15.692 -1.097 791 2HB LYS 100 2HB LYS 100 -5.700 -16.379 -2.538 792 1HG LYS 100 1HG LYS 100 -3.298 -16.737 -3.436 793 2HG LYS 100 2HG LYS 100 -2.728 -16.263 -1.847 794 1HD LYS 100 1HD LYS 100 -4.203 -18.085 -0.855 795 2HD LYS 100 2HD LYS 100 -4.587 -18.586 -2.516 796 1HE LYS 100 1HE LYS 100 -2.032 -18.859 -2.841 797 2HE LYS 100 2HE LYS 100 -1.910 -18.689 -1.079 798 1HZ LYS 100 1HZ LYS 100 -3.631 -20.567 -1.057 799 2HZ LYS 100 2HZ LYS 100 -3.179 -20.828 -2.627 800 3HZ LYS 100 3HZ LYS 100 -2.074 -20.951 -1.430 801 H GLN 101 H GLN 101 -6.857 -13.160 -2.598 802 HA GLN 101 HA GLN 101 -8.335 -13.951 -4.838 803 1HB GLN 101 1HB GLN 101 -9.084 -12.662 -2.805 804 2HB GLN 101 2HB GLN 101 -8.368 -11.209 -3.517 805 1HG GLN 101 1HG GLN 101 -9.859 -11.380 -5.440 806 2HG GLN 101 2HG GLN 101 -10.519 -12.908 -4.855 807 1HE2 GLN 101 2HE2 GLN 101 -12.721 -11.398 -2.480 808 2HE2 GLN 101 1HE2 GLN 101 -12.044 -12.879 -3.144 809 H ILE 102 H ILE 102 -5.687 -11.481 -4.689 810 HA ILE 102 HA ILE 102 -6.223 -10.674 -7.486 811 HB ILE 102 HB ILE 102 -4.518 -9.175 -7.335 812 1HG1 ILE 102 1HG1 ILE 102 -3.470 -9.644 -4.582 813 2HG1 ILE 102 2HG1 ILE 102 -3.127 -10.900 -5.713 814 1HG2 ILE 102 1HG2 ILE 102 -6.518 -8.664 -5.992 815 2HG2 ILE 102 2HG2 ILE 102 -5.681 -9.282 -4.549 816 3HG2 ILE 102 3HG2 ILE 102 -5.019 -7.864 -5.401 817 1HD1 ILE 102 2HD1 ILE 102 -2.534 -7.960 -6.199 818 2HD1 ILE 102 3HD1 ILE 102 -1.356 -9.162 -5.648 819 3HD1 ILE 102 1HD1 ILE 102 -2.066 -9.309 -7.265 820 H GLY 103 H GLY 103 -4.687 -13.334 -6.018 821 1HA GLY 103 1HA GLY 103 -3.433 -15.070 -6.952 822 2HA GLY 103 2HA GLY 103 -3.229 -14.143 -8.452 823 H ALA 104 H ALA 104 -2.147 -14.497 -5.124 824 HA ALA 104 HA ALA 104 0.363 -12.944 -5.651 825 1HB ALA 104 2HB ALA 104 -1.557 -12.688 -3.285 826 2HB ALA 104 3HB ALA 104 0.057 -11.957 -3.352 827 3HB ALA 104 1HB ALA 104 -1.216 -11.418 -4.478 828 H LEU 105 H LEU 105 -0.958 -14.752 -2.555 829 HA LEU 105 HA LEU 105 1.690 -15.496 -2.226 830 1HB LEU 105 1HB LEU 105 -0.623 -16.988 -1.043 831 2HB LEU 105 2HB LEU 105 0.989 -16.831 -0.526 832 HG LEU 105 HG LEU 105 -0.002 -15.622 1.061 833 1HD1 LEU 105 3HD1 LEU 105 1.826 -14.326 0.063 834 2HD1 LEU 105 1HD1 LEU 105 0.654 -13.417 -0.911 835 3HD1 LEU 105 2HD1 LEU 105 0.623 -13.322 0.863 836 1HD2 LEU 105 2HD2 LEU 105 -1.806 -14.275 -0.982 837 2HD2 LEU 105 3HD2 LEU 105 -2.259 -15.499 0.233 838 3HD2 LEU 105 1HD2 LEU 105 -1.726 -13.907 0.744 839 H GLN 106 H GLN 106 2.688 -17.251 -2.654 840 HA GLN 106 HA GLN 106 1.697 -18.596 -5.083 841 1HB GLN 106 2HB GLN 106 3.697 -16.989 -4.981 842 2HB GLN 106 3HB GLN 106 4.575 -18.271 -4.152 843 1HG GLN 106 2HG GLN 106 4.092 -19.782 -6.110 844 2HG GLN 106 3HG GLN 106 3.372 -18.387 -6.927 845 1HE2 GLN 106 2HE2 GLN 106 7.391 -18.903 -6.991 846 2HE2 GLN 106 1HE2 GLN 106 6.250 -20.090 -6.402 No H/Q in entry = 846 Start of MODEL 16 1 1H ALA 2 1H ALA 2 -3.625 15.588 -8.476 2 2H ALA 2 2H ALA 2 -3.413 15.324 -6.848 3 3H ALA 2 3H ALA 2 -2.447 16.357 -7.629 4 HA ALA 2 HA ALA 2 -1.449 14.696 -8.921 5 1HB ALA 2 3HB ALA 2 -0.445 15.152 -6.768 6 2HB ALA 2 1HB ALA 2 -1.528 13.984 -5.971 7 3HB ALA 2 2HB ALA 2 -0.301 13.432 -7.140 8 H GLN 3 H GLN 3 -4.115 14.051 -9.572 9 HA GLN 3 HA GLN 3 -4.497 11.214 -8.910 10 1HB GLN 3 1HB GLN 3 -6.524 11.396 -10.257 11 2HB GLN 3 2HB GLN 3 -6.506 12.494 -8.883 12 1HG GLN 3 1HG GLN 3 -6.478 14.379 -10.143 13 2HG GLN 3 2HG GLN 3 -5.539 13.664 -11.453 14 1HE2 GLN 3 2HE2 GLN 3 -8.451 13.635 -13.420 15 2HE2 GLN 3 1HE2 GLN 3 -6.727 13.888 -13.287 16 H GLU 4 H GLU 4 -2.164 11.191 -9.897 17 HA GLU 4 HA GLU 4 -2.390 9.915 -12.529 18 1HB GLU 4 1HB GLU 4 -2.099 12.363 -13.103 19 2HB GLU 4 2HB GLU 4 -0.590 12.337 -12.198 20 1HG GLU 4 1HG GLU 4 -0.066 10.248 -13.804 21 2HG GLU 4 2HG GLU 4 -1.246 11.043 -14.829 22 H PHE 5 H PHE 5 0.115 11.370 -10.268 23 HA PHE 5 HA PHE 5 1.878 9.236 -10.707 24 1HB PHE 5 1HB PHE 5 2.364 11.425 -9.469 25 2HB PHE 5 2HB PHE 5 1.808 10.607 -8.011 26 HD1 PHE 5 2HD PHE 5 2.953 8.197 -7.541 27 HD2 PHE 5 1HD PHE 5 4.596 11.224 -10.151 28 HE1 PHE 5 2HE PHE 5 5.180 7.135 -7.390 29 HE2 PHE 5 1HE PHE 5 6.824 10.144 -9.978 30 HZ PHE 5 HZ PHE 5 7.111 8.088 -8.607 31 H VAL 6 H VAL 6 -0.320 9.565 -7.858 32 HA VAL 6 HA VAL 6 -0.069 6.839 -7.025 33 HB VAL 6 HB VAL 6 -2.098 9.054 -6.603 34 1HG1 VAL 6 3HG1 VAL 6 -2.308 6.317 -5.299 35 2HG1 VAL 6 1HG1 VAL 6 -3.239 7.760 -4.864 36 3HG1 VAL 6 2HG1 VAL 6 -3.469 7.011 -6.443 37 1HG2 VAL 6 2HG2 VAL 6 0.161 9.105 -5.418 38 2HG2 VAL 6 3HG2 VAL 6 -1.270 9.116 -4.364 39 3HG2 VAL 6 1HG2 VAL 6 -0.333 7.641 -4.562 40 H ASN 7 H ASN 7 -2.378 8.523 -9.121 41 HA ASN 7 HA ASN 7 -4.231 6.387 -9.253 42 1HB ASN 7 1HB ASN 7 -4.379 9.012 -9.674 43 2HB ASN 7 2HB ASN 7 -4.065 8.567 -11.348 44 1HD2 ASN 7 2HD2 ASN 7 -7.631 7.069 -9.987 45 2HD2 ASN 7 1HD2 ASN 7 -6.212 6.400 -9.262 46 H CYS 8 H CYS 8 -1.325 6.911 -11.101 47 HA CYS 8 HA CYS 8 -2.063 4.865 -13.094 48 1HB CYS 8 1HB CYS 8 -1.038 7.094 -13.718 49 2HB CYS 8 2HB CYS 8 0.462 6.533 -12.964 50 HG CYS 8 HG CYS 8 0.779 4.411 -14.378 51 H LYS 9 H LYS 9 -0.034 5.334 -10.176 52 HA LYS 9 HA LYS 9 1.817 3.235 -10.728 53 1HB LYS 9 1HB LYS 9 0.920 4.657 -8.215 54 2HB LYS 9 2HB LYS 9 1.928 3.214 -8.060 55 1HG LYS 9 1HG LYS 9 2.697 5.447 -9.914 56 2HG LYS 9 2HG LYS 9 3.087 5.551 -8.213 57 1HD LYS 9 1HD LYS 9 4.496 3.594 -8.327 58 2HD LYS 9 2HD LYS 9 3.932 3.173 -9.943 59 1HE LYS 9 1HE LYS 9 5.402 5.764 -9.275 60 2HE LYS 9 2HE LYS 9 6.193 4.298 -9.846 61 1HZ LYS 9 2HZ LYS 9 4.125 5.766 -11.376 62 2HZ LYS 9 3HZ LYS 9 5.739 5.816 -11.646 63 3HZ LYS 9 1HZ LYS 9 4.931 4.408 -11.863 64 H ILE 10 H ILE 10 -1.360 3.192 -9.028 65 HA ILE 10 HA ILE 10 -1.114 0.487 -8.196 66 HB ILE 10 HB ILE 10 -3.670 2.003 -8.795 67 1HG1 ILE 10 1HG1 ILE 10 -2.650 1.995 -5.966 68 2HG1 ILE 10 2HG1 ILE 10 -1.797 3.061 -7.054 69 1HG2 ILE 10 2HG2 ILE 10 -2.980 -0.253 -6.851 70 2HG2 ILE 10 3HG2 ILE 10 -4.496 0.662 -6.852 71 3HG2 ILE 10 1HG2 ILE 10 -4.075 -0.335 -8.258 72 1HD1 ILE 10 1HD1 ILE 10 -3.884 4.130 -7.767 73 2HD1 ILE 10 2HD1 ILE 10 -4.797 3.081 -6.658 74 3HD1 ILE 10 3HD1 ILE 10 -3.624 4.259 -6.017 75 H GLN 11 H GLN 11 -1.800 -1.428 -9.209 76 HA GLN 11 HA GLN 11 -3.160 -1.250 -11.819 77 1HB GLN 11 1HB GLN 11 -0.648 -2.802 -11.201 78 2HB GLN 11 2HB GLN 11 -1.908 -3.609 -12.117 79 1HG GLN 11 1HG GLN 11 -0.722 -2.729 -13.826 80 2HG GLN 11 2HG GLN 11 -1.915 -1.456 -13.626 81 1HE2 GLN 11 2HE2 GLN 11 0.550 1.002 -12.768 82 2HE2 GLN 11 1HE2 GLN 11 -1.133 0.644 -12.650 83 HA PRO 12 HA PRO 12 -6.008 -3.681 -9.653 84 1HB PRO 12 1HB PRO 12 -7.391 -5.058 -11.611 85 2HB PRO 12 2HB PRO 12 -7.399 -3.274 -11.508 86 1HG PRO 12 1HG PRO 12 -5.587 -5.016 -13.212 87 2HG PRO 12 2HG PRO 12 -6.600 -3.634 -13.742 88 1HD PRO 12 1HD PRO 12 -3.978 -3.309 -13.162 89 2HD PRO 12 2HD PRO 12 -5.179 -2.070 -12.694 90 H GLY 13 H GLY 13 -3.426 -4.917 -10.049 91 1HA GLY 13 1HA GLY 13 -3.761 -7.561 -8.947 92 2HA GLY 13 2HA GLY 13 -3.384 -7.681 -10.663 93 H LYS 14 H LYS 14 -2.206 -5.334 -8.131 94 HA LYS 14 HA LYS 14 0.381 -6.649 -7.909 95 1HB LYS 14 1HB LYS 14 -0.063 -3.934 -9.237 96 2HB LYS 14 2HB LYS 14 1.104 -4.005 -7.926 97 1HG LYS 14 1HG LYS 14 2.093 -6.069 -9.149 98 2HG LYS 14 2HG LYS 14 1.197 -5.490 -10.535 99 1HD LYS 14 1HD LYS 14 3.242 -3.785 -9.038 100 2HD LYS 14 2HD LYS 14 3.637 -4.862 -10.377 101 1HE LYS 14 1HE LYS 14 1.616 -3.535 -11.570 102 2HE LYS 14 2HE LYS 14 2.107 -2.277 -10.423 103 1HZ LYS 14 2HZ LYS 14 4.394 -2.579 -11.342 104 2HZ LYS 14 3HZ LYS 14 3.776 -3.598 -12.474 105 3HZ LYS 14 1HZ LYS 14 3.317 -2.028 -12.460 106 H VAL 15 H VAL 15 1.409 -5.674 -5.865 107 HA VAL 15 HA VAL 15 -0.710 -4.612 -4.080 108 HB VAL 15 HB VAL 15 1.901 -5.964 -3.347 109 1HG1 VAL 15 1HG1 VAL 15 -0.463 -4.834 -1.843 110 2HG1 VAL 15 2HG1 VAL 15 0.659 -5.990 -1.070 111 3HG1 VAL 15 3HG1 VAL 15 1.209 -4.403 -1.633 112 1HG2 VAL 15 2HG2 VAL 15 -0.908 -7.093 -3.393 113 2HG2 VAL 15 3HG2 VAL 15 0.497 -7.665 -4.315 114 3HG2 VAL 15 1HG2 VAL 15 0.486 -7.839 -2.570 115 H VAL 16 H VAL 16 -0.597 -2.410 -4.386 116 HA VAL 16 HA VAL 16 2.128 -1.202 -4.658 117 HB VAL 16 HB VAL 16 -0.577 -0.250 -5.675 118 1HG1 VAL 16 3HG1 VAL 16 2.183 0.994 -5.942 119 2HG1 VAL 16 1HG1 VAL 16 0.704 1.570 -6.744 120 3HG1 VAL 16 2HG1 VAL 16 0.847 1.666 -4.986 121 1HG2 VAL 16 2HG2 VAL 16 1.917 -1.465 -6.946 122 2HG2 VAL 16 3HG2 VAL 16 0.242 -2.045 -7.040 123 3HG2 VAL 16 1HG2 VAL 16 0.731 -0.575 -7.900 124 H VAL 17 H VAL 17 2.836 -0.102 -2.963 125 HA VAL 17 HA VAL 17 0.844 0.699 -0.898 126 HB VAL 17 HB VAL 17 3.647 -0.347 -0.376 127 1HG1 VAL 17 2HG1 VAL 17 1.226 0.253 1.389 128 2HG1 VAL 17 3HG1 VAL 17 2.726 -0.530 1.954 129 3HG1 VAL 17 1HG1 VAL 17 2.757 1.135 1.357 130 1HG2 VAL 17 1HG2 VAL 17 1.004 -1.858 -0.316 131 2HG2 VAL 17 2HG2 VAL 17 2.428 -2.197 -1.320 132 3HG2 VAL 17 3HG2 VAL 17 2.531 -2.410 0.422 133 H PHE 18 H PHE 18 0.748 2.827 -0.793 134 HA PHE 18 HA PHE 18 3.033 4.461 -1.720 135 1HB PHE 18 1HB PHE 18 0.327 5.277 -0.587 136 2HB PHE 18 2HB PHE 18 1.545 6.397 -1.202 137 HD1 PHE 18 1HD PHE 18 2.365 6.240 -3.579 138 HD2 PHE 18 2HD PHE 18 -1.053 4.037 -2.144 139 HE1 PHE 18 1HE PHE 18 1.666 5.823 -5.903 140 HE2 PHE 18 2HE PHE 18 -1.777 3.640 -4.478 141 HZ PHE 18 HZ PHE 18 -0.429 4.558 -6.367 142 H ILE 19 H ILE 19 4.534 5.324 -0.386 143 HA ILE 19 HA ILE 19 4.235 5.267 2.568 144 HB ILE 19 HB ILE 19 6.650 4.466 2.592 145 1HG1 ILE 19 1HG1 ILE 19 6.416 3.362 -0.201 146 2HG1 ILE 19 2HG1 ILE 19 6.906 5.035 -0.009 147 1HG2 ILE 19 1HG2 ILE 19 4.869 2.874 3.066 148 2HG2 ILE 19 2HG2 ILE 19 4.766 2.441 1.343 149 3HG2 ILE 19 3HG2 ILE 19 6.239 2.095 2.282 150 1HD1 ILE 19 3HD1 ILE 19 8.362 2.726 1.273 151 2HD1 ILE 19 1HD1 ILE 19 8.848 3.631 -0.181 152 3HD1 ILE 19 2HD1 ILE 19 8.781 4.457 1.382 153 H LYS 20 H LYS 20 5.999 6.552 3.543 154 HA LYS 20 HA LYS 20 7.358 8.389 1.724 155 1HB LYS 20 1HB LYS 20 7.431 9.719 4.203 156 2HB LYS 20 2HB LYS 20 6.681 10.211 2.710 157 1HG LYS 20 1HG LYS 20 4.570 9.104 3.341 158 2HG LYS 20 2HG LYS 20 5.222 8.788 4.934 159 1HD LYS 20 1HD LYS 20 5.003 11.545 3.633 160 2HD LYS 20 2HD LYS 20 3.764 10.886 4.679 161 1HE LYS 20 1HE LYS 20 6.614 11.479 5.511 162 2HE LYS 20 2HE LYS 20 5.196 12.514 5.774 163 1HZ LYS 20 1HZ LYS 20 4.227 10.630 7.069 164 2HZ LYS 20 2HZ LYS 20 5.701 9.873 6.984 165 3HZ LYS 20 3HZ LYS 20 5.545 11.324 7.733 166 HA PRO 21 HA PRO 21 10.540 5.943 2.855 167 1HB PRO 21 1HB PRO 21 12.791 7.413 2.293 168 2HB PRO 21 2HB PRO 21 11.585 6.945 1.075 169 1HG PRO 21 1HG PRO 21 11.816 9.562 2.590 170 2HG PRO 21 2HG PRO 21 11.615 9.319 0.821 171 1HD PRO 21 1HD PRO 21 9.522 9.862 2.493 172 2HD PRO 21 2HD PRO 21 9.343 8.790 1.081 173 H THR 22 H THR 22 9.687 7.770 5.272 174 HA THR 22 HA THR 22 12.221 7.863 6.838 175 HB THR 22 HB THR 22 10.962 9.952 7.749 176 HG1 THR 22 HG1 THR 22 8.944 9.454 6.645 177 1HG2 THR 22 1HG2 THR 22 12.007 9.903 4.876 178 2HG2 THR 22 2HG2 THR 22 11.803 11.340 5.886 179 3HG2 THR 22 3HG2 THR 22 12.978 10.101 6.344 180 H CYS 23 H CSN 23 8.815 6.987 6.822 181 HA CYS 23 HA CSN 23 8.484 7.480 9.549 182 1HB CYS 23 2HB CSN 23 6.596 6.141 7.633 183 2HB CYS 23 3HB CSN 23 6.230 7.301 8.928 184 HA PRO 24 HA PRO 24 8.665 3.307 11.254 185 1HB PRO 24 1HB PRO 24 6.977 3.565 13.383 186 2HB PRO 24 2HB PRO 24 8.596 4.315 13.335 187 1HG PRO 24 1HG PRO 24 5.942 5.625 12.702 188 2HG PRO 24 2HG PRO 24 7.254 6.230 13.765 189 1HD PRO 24 1HD PRO 24 7.020 7.051 11.191 190 2HD PRO 24 2HD PRO 24 8.630 6.778 11.931 191 H TYR 25 H TYR 25 5.667 4.925 10.330 192 HA TYR 25 HA TYR 25 3.872 2.712 10.648 193 1HB TYR 25 1HB TYR 25 3.798 5.162 8.786 194 2HB TYR 25 2HB TYR 25 2.421 4.161 9.203 195 HD1 TYR 25 2HD TYR 25 2.911 3.892 12.267 196 HD2 TYR 25 1HD TYR 25 3.085 7.251 9.544 197 HE1 TYR 25 2HE TYR 25 2.696 5.443 14.160 198 HE2 TYR 25 1HE TYR 25 2.855 8.801 11.435 199 HH TYR 25 HH TYR 25 3.036 8.981 13.751 200 H CYS 26 H CYS 26 5.719 4.097 7.965 201 HA CYS 26 HA CYS 26 4.897 2.377 5.827 202 1HB CYS 26 1HB CYS 26 7.379 4.120 6.406 203 2HB CYS 26 2HB CYS 26 7.110 3.297 4.872 204 HG CYS 26 HG CYS 26 6.554 5.967 5.111 205 H ARG 27 H ARG 27 7.805 2.486 7.930 206 HA ARG 27 HA ARG 27 9.115 0.184 7.076 207 1HB ARG 27 1HB ARG 27 8.914 1.607 9.748 208 2HB ARG 27 2HB ARG 27 9.866 0.134 9.603 209 1HG ARG 27 1HG ARG 27 11.316 1.075 7.955 210 2HG ARG 27 2HG ARG 27 10.292 2.521 7.787 211 1HD ARG 27 1HD ARG 27 10.782 3.266 9.996 212 2HD ARG 27 2HD ARG 27 11.464 1.703 10.450 213 HE ARG 27 HE ARG 27 12.942 2.836 8.249 214 1HH1 ARG 27 2HH2 ARG 27 12.563 3.101 11.763 215 2HH1 ARG 27 1HH2 ARG 27 14.205 3.503 12.070 216 1HH2 ARG 27 2HH1 ARG 27 15.183 3.401 8.639 217 2HH2 ARG 27 1HH1 ARG 27 15.711 3.640 10.266 218 H ARG 28 H ARG 28 6.640 0.430 9.675 219 HA ARG 28 HA ARG 28 6.670 -2.289 10.409 220 1HB ARG 28 1HB ARG 28 5.407 -0.516 11.599 221 2HB ARG 28 2HB ARG 28 4.287 -0.385 10.271 222 1HG ARG 28 1HG ARG 28 3.030 -2.103 11.145 223 2HG ARG 28 2HG ARG 28 4.352 -3.202 10.867 224 1HD ARG 28 1HD ARG 28 4.064 -1.493 13.353 225 2HD ARG 28 2HD ARG 28 3.611 -3.207 13.233 226 HE ARG 28 HE ARG 28 6.223 -3.278 12.430 227 1HH1 ARG 28 2HH2 ARG 28 4.799 -1.726 15.300 228 2HH1 ARG 28 1HH2 ARG 28 6.271 -1.813 16.201 229 1HH2 ARG 28 2HH1 ARG 28 8.016 -3.318 13.459 230 2HH2 ARG 28 1HH1 ARG 28 8.269 -2.742 15.089 231 H ALA 29 H ALA 29 4.464 -0.651 8.147 232 HA ALA 29 HA ALA 29 3.222 -2.989 7.234 233 1HB ALA 29 1HB ALA 29 3.824 -0.450 5.640 234 2HB ALA 29 2HB ALA 29 2.645 -1.680 5.163 235 3HB ALA 29 3HB ALA 29 2.383 -0.757 6.664 236 H GLN 30 H GLN 30 6.351 -1.541 5.910 237 HA GLN 30 HA GLN 30 6.755 -3.300 3.935 238 1HB GLN 30 1HB GLN 30 8.078 -1.199 5.043 239 2HB GLN 30 2HB GLN 30 9.080 -2.538 5.636 240 1HG GLN 30 1HG GLN 30 9.362 -3.375 3.359 241 2HG GLN 30 2HG GLN 30 8.116 -2.213 2.849 242 1HE2 GLN 30 2HE2 GLN 30 11.266 -0.571 1.805 243 2HE2 GLN 30 1HE2 GLN 30 10.165 -1.802 1.240 244 H GLU 31 H GLU 31 7.752 -3.738 7.344 245 HA GLU 31 HA GLU 31 8.981 -6.279 6.625 246 1HB GLU 31 1HB GLU 31 9.656 -6.463 8.877 247 2HB GLU 31 2HB GLU 31 9.734 -4.750 8.491 248 1HG GLU 31 1HG GLU 31 7.205 -4.981 9.605 249 2HG GLU 31 2HG GLU 31 8.051 -6.248 10.455 250 H ILE 32 H ILE 32 5.949 -5.321 8.010 251 HA ILE 32 HA ILE 32 4.829 -7.855 8.609 252 HB ILE 32 HB ILE 32 3.900 -5.091 7.951 253 1HG1 ILE 32 1HG1 ILE 32 3.566 -7.048 10.288 254 2HG1 ILE 32 2HG1 ILE 32 4.636 -5.647 10.215 255 1HG2 ILE 32 2HG2 ILE 32 2.232 -6.237 6.713 256 2HG2 ILE 32 3HG2 ILE 32 1.861 -7.275 8.123 257 3HG2 ILE 32 1HG2 ILE 32 1.563 -5.511 8.148 258 1HD1 ILE 32 1HD1 ILE 32 2.555 -4.224 10.018 259 2HD1 ILE 32 2HD1 ILE 32 1.605 -5.670 10.428 260 3HD1 ILE 32 3HD1 ILE 32 2.794 -5.033 11.584 261 H LEU 33 H LEU 33 4.816 -5.919 5.579 262 HA LEU 33 HA LEU 33 3.155 -7.894 4.329 263 1HB LEU 33 1HB LEU 33 4.587 -5.408 3.357 264 2HB LEU 33 2HB LEU 33 4.014 -6.550 2.171 265 HG LEU 33 HG LEU 33 2.169 -5.136 4.166 266 1HD1 LEU 33 1HD1 LEU 33 3.117 -3.628 2.506 267 2HD1 LEU 33 2HD1 LEU 33 2.550 -4.720 1.214 268 3HD1 LEU 33 3HD1 LEU 33 1.388 -3.938 2.261 269 1HD2 LEU 33 3HD2 LEU 33 1.655 -7.052 1.835 270 2HD2 LEU 33 1HD2 LEU 33 1.255 -7.314 3.539 271 3HD2 LEU 33 2HD2 LEU 33 0.415 -6.051 2.617 272 H SER 34 H SER 34 6.672 -6.926 4.110 273 HA SER 34 HA SER 34 7.036 -8.440 1.755 274 1HB SER 34 1HB SER 34 9.359 -7.937 1.943 275 2HB SER 34 2HB SER 34 8.429 -6.522 2.431 276 HG SER 34 HG SER 34 10.181 -6.899 3.763 277 H GLN 35 H GLN 35 7.205 -9.558 5.096 278 HA GLN 35 HA GLN 35 8.716 -11.967 4.343 279 1HB GLN 35 1HB GLN 35 7.285 -11.343 6.942 280 2HB GLN 35 2HB GLN 35 8.439 -12.649 6.636 281 1HG GLN 35 1HG GLN 35 8.995 -9.665 6.746 282 2HG GLN 35 2HG GLN 35 9.615 -10.924 7.799 283 1HE2 GLN 35 2HE2 GLN 35 11.702 -9.873 4.513 284 2HE2 GLN 35 1HE2 GLN 35 10.219 -9.036 4.941 285 H LEU 36 H LEU 36 5.440 -11.066 3.847 286 HA LEU 36 HA LEU 36 4.386 -13.769 4.103 287 1HB LEU 36 1HB LEU 36 3.342 -11.317 2.635 288 2HB LEU 36 2HB LEU 36 2.474 -12.817 2.884 289 HG LEU 36 HG LEU 36 3.360 -10.889 5.071 290 1HD1 LEU 36 2HD1 LEU 36 1.564 -10.022 3.652 291 2HD1 LEU 36 3HD1 LEU 36 0.591 -11.481 3.967 292 3HD1 LEU 36 1HD1 LEU 36 0.989 -10.355 5.292 293 1HD2 LEU 36 2HD2 LEU 36 1.681 -13.429 5.265 294 2HD2 LEU 36 3HD2 LEU 36 3.282 -13.158 5.989 295 3HD2 LEU 36 1HD2 LEU 36 1.893 -12.245 6.572 296 HA PRO 37 HA PRO 37 6.380 -14.677 0.165 297 1HB PRO 37 1HB PRO 37 5.264 -17.092 -0.442 298 2HB PRO 37 2HB PRO 37 6.427 -16.877 0.904 299 1HG PRO 37 1HG PRO 37 3.408 -17.041 1.058 300 2HG PRO 37 2HG PRO 37 4.624 -17.825 2.110 301 1HD PRO 37 1HD PRO 37 3.315 -15.457 2.730 302 2HD PRO 37 2HD PRO 37 4.938 -15.863 3.353 303 H ILE 38 H ILE 38 5.655 -13.138 -1.335 304 HA ILE 38 HA ILE 38 2.883 -13.421 -2.460 305 HB ILE 38 HB ILE 38 4.580 -11.092 -1.469 306 1HG1 ILE 38 1HG1 ILE 38 1.564 -11.628 -1.277 307 2HG1 ILE 38 2HG1 ILE 38 2.724 -12.319 -0.153 308 1HG2 ILE 38 2HG2 ILE 38 2.305 -10.759 -3.498 309 2HG2 ILE 38 3HG2 ILE 38 3.073 -9.453 -2.584 310 3HG2 ILE 38 1HG2 ILE 38 4.015 -10.351 -3.755 311 1HD1 ILE 38 2HD1 ILE 38 3.550 -9.996 0.377 312 2HD1 ILE 38 3HD1 ILE 38 2.117 -9.384 -0.500 313 3HD1 ILE 38 1HD1 ILE 38 1.929 -10.396 0.937 314 H LYS 39 H LYS 39 2.792 -13.157 -4.794 315 HA LYS 39 HA LYS 39 4.896 -14.171 -6.144 316 1HB LYS 39 1HB LYS 39 2.680 -12.523 -7.344 317 2HB LYS 39 2HB LYS 39 3.972 -13.296 -8.272 318 1HG LYS 39 1HG LYS 39 3.097 -15.394 -6.709 319 2HG LYS 39 2HG LYS 39 1.606 -14.487 -6.958 320 1HD LYS 39 1HD LYS 39 3.408 -15.575 -9.144 321 2HD LYS 39 2HD LYS 39 1.895 -16.261 -8.571 322 1HE LYS 39 1HE LYS 39 1.107 -15.123 -10.416 323 2HE LYS 39 2HE LYS 39 0.834 -13.941 -9.144 324 1HZ LYS 39 2HZ LYS 39 2.997 -12.893 -9.880 325 2HZ LYS 39 3HZ LYS 39 3.015 -13.962 -11.132 326 3HZ LYS 39 1HZ LYS 39 1.798 -12.879 -10.985 327 H GLN 40 H GLN 40 6.875 -13.444 -6.868 328 HA GLN 40 HA GLN 40 7.691 -10.973 -5.762 329 1HB GLN 40 1HB GLN 40 9.020 -13.124 -6.229 330 2HB GLN 40 2HB GLN 40 9.272 -12.483 -7.863 331 1HG GLN 40 1HG GLN 40 10.343 -10.462 -6.875 332 2HG GLN 40 2HG GLN 40 10.018 -11.076 -5.248 333 1HE2 GLN 40 2HE2 GLN 40 13.558 -11.979 -6.197 334 2HE2 GLN 40 1HE2 GLN 40 12.731 -10.445 -6.144 335 H GLY 41 H GLY 41 7.992 -8.933 -6.624 336 1HA GLY 41 1HA GLY 41 8.023 -7.277 -8.238 337 2HA GLY 41 2HA GLY 41 7.552 -8.433 -9.482 338 H LEU 42 H LEU 42 5.310 -8.992 -6.887 339 HA LEU 42 HA LEU 42 3.372 -7.189 -8.072 340 1HB LEU 42 1HB LEU 42 3.197 -8.900 -5.603 341 2HB LEU 42 2HB LEU 42 1.958 -7.889 -6.255 342 HG LEU 42 HG LEU 42 3.064 -10.405 -7.491 343 1HD1 LEU 42 3HD1 LEU 42 1.378 -10.573 -5.701 344 2HD1 LEU 42 1HD1 LEU 42 0.301 -9.477 -6.607 345 3HD1 LEU 42 2HD1 LEU 42 0.706 -11.063 -7.271 346 1HD2 LEU 42 3HD2 LEU 42 1.120 -8.482 -8.785 347 2HD2 LEU 42 1HD2 LEU 42 2.753 -8.920 -9.375 348 3HD2 LEU 42 2HD2 LEU 42 1.479 -10.126 -9.327 349 H LEU 43 H LEU 43 5.504 -7.289 -5.203 350 HA LEU 43 HA LEU 43 3.801 -5.350 -3.870 351 1HB LEU 43 1HB LEU 43 4.746 -7.566 -2.882 352 2HB LEU 43 2HB LEU 43 6.193 -6.632 -2.650 353 HG LEU 43 HG LEU 43 5.397 -6.102 -0.653 354 1HD1 LEU 43 1HD1 LEU 43 4.977 -3.907 -1.644 355 2HD1 LEU 43 2HD1 LEU 43 3.313 -4.365 -2.023 356 3HD1 LEU 43 3HD1 LEU 43 3.883 -4.250 -0.345 357 1HD2 LEU 43 3HD2 LEU 43 2.715 -7.102 -1.641 358 2HD2 LEU 43 1HD2 LEU 43 3.890 -7.866 -0.565 359 3HD2 LEU 43 2HD2 LEU 43 2.969 -6.482 0.007 360 H GLU 44 H GLU 44 4.172 -3.300 -4.683 361 HA GLU 44 HA GLU 44 7.012 -2.386 -4.676 362 1HB GLU 44 1HB GLU 44 5.874 -2.523 -6.914 363 2HB GLU 44 2HB GLU 44 4.796 -1.219 -6.374 364 1HG GLU 44 1HG GLU 44 6.780 0.201 -5.890 365 2HG GLU 44 2HG GLU 44 7.857 -1.123 -6.327 366 H PHE 45 H PHE 45 7.462 -1.138 -3.060 367 HA PHE 45 HA PHE 45 5.416 0.487 -1.699 368 1HB PHE 45 1HB PHE 45 8.361 0.054 -1.082 369 2HB PHE 45 2HB PHE 45 7.242 1.036 -0.140 370 HD1 PHE 45 1HD PHE 45 8.082 -2.423 -1.167 371 HD2 PHE 45 2HD PHE 45 5.574 -0.001 1.347 372 HE1 PHE 45 1HE PHE 45 7.397 -4.451 0.080 373 HE2 PHE 45 2HE PHE 45 4.858 -2.028 2.580 374 HZ PHE 45 HZ PHE 45 5.771 -4.262 1.932 375 H VAL 46 H VAL 46 5.091 2.494 -2.445 376 HA VAL 46 HA VAL 46 6.868 3.641 -4.529 377 HB VAL 46 HB VAL 46 3.853 3.825 -4.053 378 1HG1 VAL 46 3HG1 VAL 46 4.741 5.874 -5.118 379 2HG1 VAL 46 1HG1 VAL 46 5.532 4.886 -6.366 380 3HG1 VAL 46 2HG1 VAL 46 3.755 4.929 -6.224 381 1HG2 VAL 46 1HG2 VAL 46 5.470 2.283 -6.117 382 2HG2 VAL 46 2HG2 VAL 46 4.374 1.622 -4.883 383 3HG2 VAL 46 3HG2 VAL 46 3.722 2.570 -6.224 384 H ASP 47 H ASP 47 7.518 5.788 -4.262 385 HA ASP 47 HA ASP 47 7.379 6.702 -1.492 386 1HB ASP 47 1HB ASP 47 9.424 6.602 -3.156 387 2HB ASP 47 2HB ASP 47 8.804 8.146 -3.744 388 H ILE 48 H ILE 48 6.154 8.489 -0.830 389 HA ILE 48 HA ILE 48 4.759 10.094 -2.908 390 HB ILE 48 HB ILE 48 3.312 10.890 -1.255 391 1HG1 ILE 48 1HG1 ILE 48 4.540 9.238 0.963 392 2HG1 ILE 48 2HG1 ILE 48 5.010 10.901 0.697 393 1HG2 ILE 48 1HG2 ILE 48 2.926 8.621 -2.292 394 2HG2 ILE 48 2HG2 ILE 48 3.605 7.872 -0.843 395 3HG2 ILE 48 3HG2 ILE 48 2.116 8.827 -0.734 396 1HD1 ILE 48 1HD1 ILE 48 2.601 11.580 0.899 397 2HD1 ILE 48 2HD1 ILE 48 2.195 9.898 1.299 398 3HD1 ILE 48 3HD1 ILE 48 3.237 10.841 2.360 399 H THR 49 H THR 49 7.768 10.381 -1.637 400 HA THR 49 HA THR 49 7.497 13.344 -1.298 401 HB THR 49 HB THR 49 9.220 13.320 0.268 402 HG1 THR 49 HG1 THR 49 9.707 10.622 -0.524 403 1HG2 THR 49 2HG2 THR 49 7.034 12.470 1.160 404 2HG2 THR 49 3HG2 THR 49 7.643 10.814 0.916 405 3HG2 THR 49 1HG2 THR 49 8.438 11.899 2.063 406 H ALA 50 H ALA 50 9.138 10.757 -2.948 407 HA ALA 50 HA ALA 50 11.522 11.827 -3.552 408 1HB ALA 50 1HB ALA 50 10.851 9.525 -4.028 409 2HB ALA 50 2HB ALA 50 9.822 10.066 -5.373 410 3HB ALA 50 3HB ALA 50 11.586 10.255 -5.459 411 H THR 51 H THR 51 8.764 12.019 -5.803 412 HA THR 51 HA THR 51 10.029 14.260 -7.297 413 HB THR 51 HB THR 51 9.294 12.732 -9.259 414 HG1 THR 51 HG1 THR 51 9.191 10.417 -8.339 415 1HG2 THR 51 1HG2 THR 51 11.671 12.819 -8.512 416 2HG2 THR 51 2HG2 THR 51 11.363 11.437 -7.444 417 3HG2 THR 51 3HG2 THR 51 11.187 11.262 -9.199 418 H ASN 52 H ASN 52 7.247 13.573 -5.590 419 HA ASN 52 HA ASN 52 5.393 14.559 -7.713 420 1HB ASN 52 1HB ASN 52 4.051 12.526 -7.206 421 2HB ASN 52 2HB ASN 52 5.636 12.201 -7.883 422 1HD2 ASN 52 2HD2 ASN 52 5.941 9.741 -5.306 423 2HD2 ASN 52 1HD2 ASN 52 5.522 9.970 -6.992 424 H HIS 53 H HIS 53 6.118 15.107 -4.481 425 HA HIS 53 HA HIS 53 5.107 16.317 -2.888 426 1HB HIS 53 1HB HIS 53 4.508 17.654 -4.966 427 2HB HIS 53 2HB HIS 53 2.873 17.118 -4.669 428 HD1 HIS 53 1HD HIS 53 1.835 19.381 -3.743 429 HD2 HIS 53 2HD HIS 53 5.490 18.261 -1.948 430 HE1 HIS 53 1HE HIS 53 2.197 20.961 -1.812 431 H THR 54 H THR 54 4.868 14.552 -1.706 432 HA THR 54 HA THR 54 2.949 13.063 -0.835 433 HB THR 54 HB THR 54 4.550 12.989 0.660 434 HG1 THR 54 HG1 THR 54 4.175 14.181 2.598 435 1HG2 THR 54 1HG2 THR 54 5.950 14.702 -0.277 436 2HG2 THR 54 2HG2 THR 54 5.003 15.956 0.586 437 3HG2 THR 54 3HG2 THR 54 5.955 14.729 1.474 438 H ASN 55 H ASN 55 2.962 16.395 0.224 439 HA ASN 55 HA ASN 55 0.564 16.487 1.448 440 1HB ASN 55 1HB ASN 55 1.580 18.772 -0.267 441 2HB ASN 55 2HB ASN 55 0.324 18.910 0.958 442 1HD2 ASN 55 2HD2 ASN 55 4.207 19.081 2.110 443 2HD2 ASN 55 1HD2 ASN 55 3.622 19.309 0.481 444 H GLU 56 H GLU 56 0.936 16.942 -2.092 445 HA GLU 56 HA GLU 56 -1.867 17.387 -2.657 446 1HB GLU 56 1HB GLU 56 0.731 17.507 -3.888 447 2HB GLU 56 2HB GLU 56 -0.105 16.283 -4.800 448 1HG GLU 56 1HG GLU 56 -1.445 18.929 -4.231 449 2HG GLU 56 2HG GLU 56 -0.142 18.829 -5.418 450 H ILE 57 H ILE 57 0.349 14.620 -2.929 451 HA ILE 57 HA ILE 57 -1.425 12.691 -3.983 452 HB ILE 57 HB ILE 57 1.181 12.742 -2.464 453 1HG1 ILE 57 1HG1 ILE 57 0.428 11.399 -5.080 454 2HG1 ILE 57 2HG1 ILE 57 0.802 13.119 -4.971 455 1HG2 ILE 57 1HG2 ILE 57 -0.490 10.252 -2.758 456 2HG2 ILE 57 2HG2 ILE 57 1.271 10.175 -2.737 457 3HG2 ILE 57 3HG2 ILE 57 0.399 10.844 -1.354 458 1HD1 ILE 57 3HD1 ILE 57 2.750 10.944 -4.141 459 2HD1 ILE 57 1HD1 ILE 57 2.724 11.832 -5.666 460 3HD1 ILE 57 2HD1 ILE 57 3.026 12.697 -4.146 461 H GLN 58 H GLN 58 -0.773 13.623 -0.645 462 HA GLN 58 HA GLN 58 -2.181 11.493 0.626 463 1HB GLN 58 1HB GLN 58 -1.019 14.229 1.335 464 2HB GLN 58 2HB GLN 58 -2.092 13.452 2.487 465 1HG GLN 58 1HG GLN 58 0.575 12.424 1.550 466 2HG GLN 58 2HG GLN 58 0.165 13.011 3.149 467 1HE2 GLN 58 2HE2 GLN 58 -1.340 9.883 4.064 468 2HE2 GLN 58 1HE2 GLN 58 -0.980 11.517 4.653 469 H ASP 59 H ASP 59 -2.949 14.888 -0.176 470 HA ASP 59 HA ASP 59 -5.571 15.054 0.881 471 1HB ASP 59 1HB ASP 59 -3.812 16.601 -0.934 472 2HB ASP 59 2HB ASP 59 -5.471 16.733 -1.394 473 H TYR 60 H TYR 60 -4.412 14.176 -2.407 474 HA TYR 60 HA TYR 60 -7.001 13.541 -3.436 475 1HB TYR 60 1HB TYR 60 -5.164 13.972 -4.952 476 2HB TYR 60 2HB TYR 60 -4.224 12.639 -4.283 477 HD1 TYR 60 1HD TYR 60 -7.736 13.095 -5.614 478 HD2 TYR 60 2HD TYR 60 -4.135 10.721 -5.659 479 HE1 TYR 60 1HE TYR 60 -8.831 11.495 -7.128 480 HE2 TYR 60 2HE TYR 60 -5.221 9.102 -7.188 481 HH TYR 60 HH TYR 60 -7.193 8.623 -8.498 482 H LEU 61 H LEU 61 -4.505 11.454 -1.902 483 HA LEU 61 HA LEU 61 -5.749 8.970 -2.337 484 1HB LEU 61 1HB LEU 61 -3.836 10.010 -0.245 485 2HB LEU 61 2HB LEU 61 -4.571 8.449 0.024 486 HG LEU 61 HG LEU 61 -3.098 9.091 -2.561 487 1HD1 LEU 61 1HD1 LEU 61 -1.968 7.821 -0.020 488 2HD1 LEU 61 2HD1 LEU 61 -1.135 7.956 -1.587 489 3HD1 LEU 61 3HD1 LEU 61 -1.544 9.406 -0.661 490 1HD2 LEU 61 2HD2 LEU 61 -3.845 6.493 -1.144 491 2HD2 LEU 61 3HD2 LEU 61 -4.591 7.133 -2.626 492 3HD2 LEU 61 1HD2 LEU 61 -2.898 6.616 -2.644 493 H GLN 62 H GLN 62 -6.215 11.319 0.326 494 HA GLN 62 HA GLN 62 -8.096 9.804 1.767 495 1HB GLN 62 1HB GLN 62 -7.039 12.195 2.261 496 2HB GLN 62 2HB GLN 62 -8.481 12.806 1.501 497 1HG GLN 62 1HG GLN 62 -8.784 10.670 3.645 498 2HG GLN 62 2HG GLN 62 -8.344 12.283 4.122 499 1HE2 GLN 62 2HE2 GLN 62 -12.168 11.709 2.618 500 2HE2 GLN 62 1HE2 GLN 62 -10.901 10.713 1.965 501 H GLN 63 H GLN 63 -8.688 12.227 -0.848 502 HA GLN 63 HA GLN 63 -11.479 11.989 -0.846 503 1HB GLN 63 1HB GLN 63 -9.868 13.644 -2.108 504 2HB GLN 63 2HB GLN 63 -9.856 12.445 -3.384 505 1HG GLN 63 1HG GLN 63 -11.597 13.863 -4.038 506 2HG GLN 63 2HG GLN 63 -12.458 12.544 -3.277 507 1HE2 GLN 63 2HE2 GLN 63 -12.667 16.345 -1.739 508 2HE2 GLN 63 1HE2 GLN 63 -11.596 15.933 -3.060 509 H LEU 64 H LEU 64 -9.095 10.339 -2.853 510 HA LEU 64 HA LEU 64 -10.829 8.826 -4.479 511 1HB LEU 64 1HB LEU 64 -8.599 9.044 -5.201 512 2HB LEU 64 2HB LEU 64 -7.948 8.587 -3.635 513 HG LEU 64 HG LEU 64 -8.678 6.210 -4.023 514 1HD1 LEU 64 1HD1 LEU 64 -10.422 6.629 -5.747 515 2HD1 LEU 64 2HD1 LEU 64 -9.168 7.191 -6.867 516 3HD1 LEU 64 3HD1 LEU 64 -9.180 5.506 -6.308 517 1HD2 LEU 64 2HD2 LEU 64 -6.363 6.960 -4.394 518 2HD2 LEU 64 3HD2 LEU 64 -6.835 5.688 -5.534 519 3HD2 LEU 64 1HD2 LEU 64 -6.768 7.381 -6.071 520 H THR 65 H THR 65 -9.320 7.897 -1.335 521 HA THR 65 HA THR 65 -10.773 5.300 -1.511 522 HB THR 65 HB THR 65 -9.258 4.553 0.235 523 HG1 THR 65 HG1 THR 65 -7.949 7.087 -0.077 524 1HG2 THR 65 1HG2 THR 65 -8.633 4.297 -2.176 525 2HG2 THR 65 2HG2 THR 65 -7.660 5.788 -2.033 526 3HG2 THR 65 3HG2 THR 65 -7.257 4.360 -1.064 527 H GLY 66 H GLY 66 -10.035 7.674 1.069 528 1HA GLY 66 1HA GLY 66 -12.176 8.469 2.277 529 2HA GLY 66 2HA GLY 66 -12.384 6.748 2.633 530 H ALA 67 H ALA 67 -9.049 7.051 2.578 531 HA ALA 67 HA ALA 67 -8.732 8.542 5.053 532 1HB ALA 67 3HB ALA 67 -7.905 5.614 4.800 533 2HB ALA 67 1HB ALA 67 -7.370 6.698 6.091 534 3HB ALA 67 2HB ALA 67 -9.086 6.281 5.939 535 H ARG 68 H ARG 68 -6.507 9.039 5.433 536 HA ARG 68 HA ARG 68 -4.949 9.010 2.859 537 1HB ARG 68 1HB ARG 68 -4.575 11.186 2.985 538 2HB ARG 68 2HB ARG 68 -6.103 11.160 3.863 539 1HG ARG 68 1HG ARG 68 -4.753 11.231 6.023 540 2HG ARG 68 2HG ARG 68 -3.319 11.480 4.997 541 1HD ARG 68 1HD ARG 68 -4.926 13.326 3.882 542 2HD ARG 68 2HD ARG 68 -5.685 13.266 5.482 543 HE ARG 68 HE ARG 68 -2.942 13.584 5.934 544 1HH1 ARG 68 2HH2 ARG 68 -5.634 15.329 4.385 545 2HH1 ARG 68 1HH2 ARG 68 -4.855 16.866 4.332 546 1HH2 ARG 68 2HH1 ARG 68 -1.954 15.784 6.110 547 2HH2 ARG 68 1HH1 ARG 68 -2.825 17.131 5.467 548 H THR 69 H THR 69 -4.769 8.368 6.361 549 HA THR 69 HA THR 69 -2.132 9.237 6.662 550 HB THR 69 HB THR 69 -2.235 7.659 8.683 551 HG1 THR 69 HG1 THR 69 -4.198 6.671 9.065 552 1HG2 THR 69 1HG2 THR 69 -4.511 9.670 8.238 553 2HG2 THR 69 2HG2 THR 69 -3.993 9.059 9.814 554 3HG2 THR 69 3HG2 THR 69 -2.883 10.045 8.838 555 H VAL 70 H VAL 70 -0.135 8.283 6.384 556 HA VAL 70 HA VAL 70 -0.274 6.021 4.525 557 HB VAL 70 HB VAL 70 2.393 6.544 4.537 558 1HG1 VAL 70 1HG1 VAL 70 0.218 8.038 3.036 559 2HG1 VAL 70 2HG1 VAL 70 1.936 7.952 2.576 560 3HG1 VAL 70 3HG1 VAL 70 0.951 6.486 2.587 561 1HG2 VAL 70 2HG2 VAL 70 2.070 8.414 6.257 562 2HG2 VAL 70 3HG2 VAL 70 2.796 8.898 4.723 563 3HG2 VAL 70 1HG2 VAL 70 1.112 9.283 5.033 564 HA PRO 71 HA PRO 71 1.720 4.527 3.748 565 1HB PRO 71 1HB PRO 71 1.633 1.786 3.608 566 2HB PRO 71 2HB PRO 71 3.051 2.692 4.215 567 1HG PRO 71 1HG PRO 71 0.866 1.366 5.833 568 2HG PRO 71 2HG PRO 71 2.651 1.356 6.081 569 1HD PRO 71 1HD PRO 71 1.016 3.022 7.468 570 2HD PRO 71 2HD PRO 71 2.689 3.447 6.999 571 H ARG 72 H ARG 72 0.383 3.416 1.966 572 HA ARG 72 HA ARG 72 -2.404 2.723 2.841 573 1HB ARG 72 1HB ARG 72 -1.713 4.463 0.439 574 2HB ARG 72 2HB ARG 72 -3.315 3.860 0.843 575 1HG ARG 72 1HG ARG 72 -1.688 5.779 2.573 576 2HG ARG 72 2HG ARG 72 -2.918 6.268 1.425 577 1HD ARG 72 1HD ARG 72 -3.486 4.447 3.793 578 2HD ARG 72 2HD ARG 72 -3.646 6.201 3.822 579 HE ARG 72 HE ARG 72 -5.252 5.934 1.883 580 1HH1 ARG 72 2HH2 ARG 72 -5.260 4.003 4.832 581 2HH1 ARG 72 1HH2 ARG 72 -6.779 3.268 4.517 582 1HH2 ARG 72 2HH1 ARG 72 -7.351 5.193 1.606 583 2HH2 ARG 72 1HH1 ARG 72 -7.921 3.809 2.454 584 H VAL 73 H VAL 73 -2.295 0.531 2.531 585 HA VAL 73 HA VAL 73 -0.792 -0.584 0.247 586 HB VAL 73 HB VAL 73 -2.444 -1.796 2.490 587 1HG1 VAL 73 1HG1 VAL 73 -1.065 -3.264 0.178 588 2HG1 VAL 73 2HG1 VAL 73 -1.686 -4.051 1.640 589 3HG1 VAL 73 3HG1 VAL 73 -2.794 -3.254 0.546 590 1HG2 VAL 73 3HG2 VAL 73 0.536 -1.948 1.966 591 2HG2 VAL 73 1HG2 VAL 73 -0.267 -1.080 3.288 592 3HG2 VAL 73 2HG2 VAL 73 -0.339 -2.841 3.209 593 H PHE 74 H PHE 74 -1.714 -0.960 -1.696 594 HA PHE 74 HA PHE 74 -4.655 -1.266 -1.964 595 1HB PHE 74 1HB PHE 74 -2.591 -0.199 -3.929 596 2HB PHE 74 2HB PHE 74 -4.191 -0.739 -4.382 597 HD1 PHE 74 1HD PHE 74 -2.431 1.759 -2.196 598 HD2 PHE 74 2HD PHE 74 -6.032 0.767 -4.365 599 HE1 PHE 74 1HE PHE 74 -3.301 4.061 -1.847 600 HE2 PHE 74 2HE PHE 74 -6.851 3.071 -4.070 601 HZ PHE 74 HZ PHE 74 -5.480 4.733 -2.820 602 H ILE 75 H ILE 75 -4.960 -3.418 -1.907 603 HA ILE 75 HA ILE 75 -3.084 -5.287 -3.261 604 HB ILE 75 HB ILE 75 -4.956 -5.467 -0.993 605 1HG1 ILE 75 1HG1 ILE 75 -3.607 -7.624 -0.623 606 2HG1 ILE 75 2HG1 ILE 75 -2.648 -7.118 -2.038 607 1HG2 ILE 75 2HG2 ILE 75 -5.033 -7.686 -3.073 608 2HG2 ILE 75 3HG2 ILE 75 -5.653 -7.784 -1.419 609 3HG2 ILE 75 1HG2 ILE 75 -6.417 -6.690 -2.548 610 1HD1 ILE 75 2HD1 ILE 75 -2.176 -5.047 -0.754 611 2HD1 ILE 75 3HD1 ILE 75 -2.905 -5.845 0.661 612 3HD1 ILE 75 1HD1 ILE 75 -1.467 -6.546 -0.106 613 H GLY 76 H GLY 76 -3.365 -4.927 -5.426 614 1HA GLY 76 1HA GLY 76 -4.353 -4.745 -7.467 615 2HA GLY 76 2HA GLY 76 -5.533 -5.910 -6.854 616 H LYS 77 H LYS 77 -4.799 -2.388 -6.705 617 HA LYS 77 HA LYS 77 -5.935 -0.624 -6.204 618 1HB LYS 77 1HB LYS 77 -6.752 -1.536 -8.688 619 2HB LYS 77 2HB LYS 77 -8.276 -1.294 -7.858 620 1HG LYS 77 1HG LYS 77 -6.934 1.030 -7.190 621 2HG LYS 77 2HG LYS 77 -6.229 0.642 -8.769 622 1HD LYS 77 1HD LYS 77 -8.118 1.997 -9.308 623 2HD LYS 77 2HD LYS 77 -8.673 0.333 -9.588 624 1HE LYS 77 1HE LYS 77 -9.478 0.454 -7.085 625 2HE LYS 77 2HE LYS 77 -9.307 2.198 -7.261 626 1HZ LYS 77 1HZ LYS 77 -10.902 1.997 -9.148 627 2HZ LYS 77 2HZ LYS 77 -11.038 0.386 -8.812 628 3HZ LYS 77 3HZ LYS 77 -11.528 1.488 -7.703 629 H ASP 78 H ASP 78 -6.986 -3.178 -4.563 630 HA ASP 78 HA ASP 78 -9.330 -1.719 -3.443 631 1HB ASP 78 1HB ASP 78 -9.450 -4.170 -4.054 632 2HB ASP 78 2HB ASP 78 -8.312 -4.486 -2.738 633 H CYS 79 H CYS 79 -8.551 -0.113 -2.129 634 HA CYS 79 HA CYS 79 -6.045 -0.435 -0.735 635 1HB CYS 79 1HB CYS 79 -6.976 1.779 -1.489 636 2HB CYS 79 2HB CYS 79 -8.128 1.676 -0.150 637 HG CYS 79 HG CYS 79 -4.878 1.169 0.164 638 H ILE 80 H ILE 80 -5.782 -1.720 1.016 639 HA ILE 80 HA ILE 80 -8.092 -2.746 2.454 640 HB ILE 80 HB ILE 80 -6.647 -4.299 3.342 641 1HG1 ILE 80 1HG1 ILE 80 -4.073 -4.094 2.593 642 2HG1 ILE 80 2HG1 ILE 80 -4.476 -2.372 2.654 643 1HG2 ILE 80 3HG2 ILE 80 -7.219 -4.550 0.918 644 2HG2 ILE 80 1HG2 ILE 80 -5.627 -3.882 0.516 645 3HG2 ILE 80 2HG2 ILE 80 -5.752 -5.409 1.417 646 1HD1 ILE 80 1HD1 ILE 80 -5.350 -2.855 5.060 647 2HD1 ILE 80 2HD1 ILE 80 -4.587 -4.434 4.872 648 3HD1 ILE 80 3HD1 ILE 80 -3.614 -2.945 4.783 649 H GLY 81 H GLY 81 -5.661 -0.309 2.922 650 1HA GLY 81 1HA GLY 81 -6.686 1.322 4.676 651 2HA GLY 81 2HA GLY 81 -6.395 -0.026 5.770 652 H GLY 82 H GLY 82 -5.156 1.732 6.744 653 1HA GLY 82 1HA GLY 82 -2.405 2.039 5.728 654 2HA GLY 82 2HA GLY 82 -3.118 2.929 7.094 655 H CYS 83 H CYS 83 -1.155 2.238 8.370 656 HA CYS 83 HA CYS 83 -0.315 -0.520 8.256 657 1HB CYS 83 1HB CYS 83 1.301 0.126 10.028 658 2HB CYS 83 2HB CYS 83 1.412 1.116 8.577 659 HG CYS 83 HG CYS 83 0.691 1.727 11.635 660 H SER 84 H SER 84 -2.255 1.512 10.522 661 HA SER 84 HA SER 84 -2.293 -0.485 12.509 662 1HB SER 84 1HB SER 84 -4.266 1.774 12.001 663 2HB SER 84 2HB SER 84 -4.107 0.840 13.507 664 HG SER 84 HG SER 84 -2.892 2.654 13.776 665 H ASP 85 H ASP 85 -4.293 -0.032 9.628 666 HA ASP 85 HA ASP 85 -6.315 -2.014 10.441 667 1HB ASP 85 1HB ASP 85 -5.720 -0.420 7.940 668 2HB ASP 85 2HB ASP 85 -6.754 -1.845 7.830 669 H LEU 86 H LEU 86 -3.550 -1.817 8.207 670 HA LEU 86 HA LEU 86 -3.517 -4.370 7.163 671 1HB LEU 86 1HB LEU 86 -2.131 -2.460 6.418 672 2HB LEU 86 2HB LEU 86 -1.231 -2.532 7.920 673 HG LEU 86 HG LEU 86 -0.368 -4.795 7.294 674 1HD1 LEU 86 2HD1 LEU 86 -1.684 -4.217 4.603 675 2HD1 LEU 86 3HD1 LEU 86 -0.529 -5.520 4.949 676 3HD1 LEU 86 1HD1 LEU 86 -2.116 -5.526 5.727 677 1HD2 LEU 86 1HD2 LEU 86 0.135 -2.518 5.346 678 2HD2 LEU 86 2HD2 LEU 86 0.899 -2.750 6.915 679 3HD2 LEU 86 3HD2 LEU 86 1.219 -3.906 5.634 680 H VAL 87 H VAL 87 -2.295 -3.397 10.472 681 HA VAL 87 HA VAL 87 -0.915 -5.779 11.019 682 HB VAL 87 HB VAL 87 -2.276 -3.545 12.565 683 1HG1 VAL 87 3HG1 VAL 87 -1.027 -6.022 13.796 684 2HG1 VAL 87 1HG1 VAL 87 -1.435 -4.513 14.669 685 3HG1 VAL 87 2HG1 VAL 87 -2.718 -5.492 13.954 686 1HG2 VAL 87 2HG2 VAL 87 0.025 -3.237 11.587 687 2HG2 VAL 87 3HG2 VAL 87 -0.034 -3.062 13.337 688 3HG2 VAL 87 1HG2 VAL 87 0.600 -4.557 12.616 689 H SER 88 H SER 88 -4.484 -4.935 11.412 690 HA SER 88 HA SER 88 -5.057 -7.475 12.655 691 1HB SER 88 1HB SER 88 -6.672 -5.256 11.461 692 2HB SER 88 2HB SER 88 -7.319 -6.868 11.155 693 HG SER 88 HG SER 88 -8.160 -6.302 13.062 694 H LEU 89 H LEU 89 -5.104 -6.264 9.228 695 HA LEU 89 HA LEU 89 -6.223 -8.709 8.284 696 1HB LEU 89 1HB LEU 89 -4.562 -6.656 6.776 697 2HB LEU 89 2HB LEU 89 -5.279 -8.096 6.079 698 HG LEU 89 HG LEU 89 -7.545 -7.262 7.016 699 1HD1 LEU 89 3HD1 LEU 89 -5.960 -4.669 6.864 700 2HD1 LEU 89 1HD1 LEU 89 -7.731 -4.765 6.781 701 3HD1 LEU 89 2HD1 LEU 89 -6.906 -5.309 8.230 702 1HD2 LEU 89 1HD2 LEU 89 -6.134 -6.148 4.564 703 2HD2 LEU 89 2HD2 LEU 89 -7.053 -7.665 4.677 704 3HD2 LEU 89 3HD2 LEU 89 -7.887 -6.126 4.837 705 H GLN 90 H GLN 90 -2.820 -7.886 9.068 706 HA GLN 90 HA GLN 90 -1.831 -10.385 7.986 707 1HB GLN 90 1HB GLN 90 -0.361 -8.383 8.491 708 2HB GLN 90 2HB GLN 90 -0.658 -8.644 10.209 709 1HG GLN 90 1HG GLN 90 0.276 -11.009 9.941 710 2HG GLN 90 2HG GLN 90 0.737 -10.563 8.296 711 1HE2 GLN 90 2HE2 GLN 90 3.801 -9.331 9.596 712 2HE2 GLN 90 1HE2 GLN 90 2.991 -9.978 8.191 713 H GLN 91 H GLN 91 -2.485 -9.288 11.398 714 HA GLN 91 HA GLN 91 -1.862 -11.692 12.619 715 1HB GLN 91 1HB GLN 91 -2.580 -9.014 13.263 716 2HB GLN 91 2HB GLN 91 -3.770 -9.959 14.090 717 1HG GLN 91 1HG GLN 91 -0.803 -10.607 14.311 718 2HG GLN 91 2HG GLN 91 -1.481 -9.218 15.140 719 1HE2 GLN 91 2HE2 GLN 91 -3.479 -11.316 17.381 720 2HE2 GLN 91 1HE2 GLN 91 -3.693 -9.839 16.437 721 H SER 92 H SER 92 -5.097 -10.368 11.860 722 HA SER 92 HA SER 92 -6.560 -12.757 12.683 723 1HB SER 92 1HB SER 92 -7.140 -9.951 11.974 724 2HB SER 92 2HB SER 92 -8.187 -11.059 11.096 725 HG SER 92 HG SER 92 -9.208 -11.367 12.832 726 H GLY 93 H GLY 93 -4.549 -12.122 10.026 727 1HA GLY 93 1HA GLY 93 -4.113 -13.457 8.291 728 2HA GLY 93 2HA GLY 93 -5.465 -14.483 8.748 729 H GLU 94 H GLU 94 -6.745 -11.317 8.230 730 HA GLU 94 HA GLU 94 -8.255 -12.323 6.013 731 1HB GLU 94 1HB GLU 94 -8.858 -10.476 7.700 732 2HB GLU 94 2HB GLU 94 -7.696 -9.455 6.868 733 1HG GLU 94 1HG GLU 94 -9.781 -8.779 6.039 734 2HG GLU 94 2HG GLU 94 -9.089 -9.740 4.742 735 H LEU 95 H LEU 95 -5.256 -10.512 6.197 736 HA LEU 95 HA LEU 95 -5.206 -9.483 3.572 737 1HB LEU 95 1HB LEU 95 -3.517 -9.084 5.649 738 2HB LEU 95 2HB LEU 95 -2.658 -10.402 4.931 739 HG LEU 95 HG LEU 95 -2.633 -9.085 2.743 740 1HD1 LEU 95 3HD1 LEU 95 -3.748 -6.850 4.494 741 2HD1 LEU 95 1HD1 LEU 95 -3.042 -6.632 2.886 742 3HD1 LEU 95 2HD1 LEU 95 -4.536 -7.545 3.063 743 1HD2 LEU 95 2HD2 LEU 95 -1.440 -7.846 5.253 744 2HD2 LEU 95 3HD2 LEU 95 -0.729 -9.102 4.218 745 3HD2 LEU 95 1HD2 LEU 95 -0.965 -7.473 3.579 746 H LEU 96 H LEU 96 -4.489 -12.713 4.806 747 HA LEU 96 HA LEU 96 -2.766 -13.452 2.609 748 1HB LEU 96 1HB LEU 96 -4.290 -15.045 4.717 749 2HB LEU 96 2HB LEU 96 -3.346 -15.831 3.487 750 HG LEU 96 HG LEU 96 -2.243 -15.642 5.709 751 1HD1 LEU 96 1HD1 LEU 96 -0.925 -16.073 3.719 752 2HD1 LEU 96 2HD1 LEU 96 -0.720 -14.323 3.430 753 3HD1 LEU 96 3HD1 LEU 96 -0.012 -15.099 4.862 754 1HD2 LEU 96 3HD2 LEU 96 -2.895 -13.303 6.307 755 2HD2 LEU 96 1HD2 LEU 96 -1.170 -13.629 6.476 756 3HD2 LEU 96 2HD2 LEU 96 -1.748 -12.708 5.082 757 H THR 97 H THR 97 -6.334 -13.806 3.245 758 HA THR 97 HA THR 97 -6.730 -15.157 0.707 759 HB THR 97 HB THR 97 -8.729 -13.593 2.394 760 HG1 THR 97 HG1 THR 97 -9.040 -15.468 3.545 761 1HG2 THR 97 2HG2 THR 97 -8.989 -16.036 0.564 762 2HG2 THR 97 3HG2 THR 97 -10.313 -15.293 1.485 763 3HG2 THR 97 1HG2 THR 97 -9.533 -14.388 0.180 764 H ARG 98 H ARG 98 -7.131 -11.751 1.908 765 HA ARG 98 HA ARG 98 -8.014 -10.598 -0.481 766 1HB ARG 98 1HB ARG 98 -6.775 -9.703 2.030 767 2HB ARG 98 2HB ARG 98 -6.256 -8.685 0.706 768 1HG ARG 98 1HG ARG 98 -9.185 -9.382 1.030 769 2HG ARG 98 2HG ARG 98 -8.463 -8.150 2.066 770 1HD ARG 98 1HD ARG 98 -8.186 -6.621 0.376 771 2HD ARG 98 2HD ARG 98 -7.859 -7.842 -0.833 772 HE ARG 98 HE ARG 98 -10.010 -7.694 -1.519 773 1HH1 ARG 98 2HH2 ARG 98 -10.162 -6.664 1.922 774 2HH1 ARG 98 1HH2 ARG 98 -11.899 -6.757 1.930 775 1HH2 ARG 98 2HH1 ARG 98 -12.352 -7.480 -1.442 776 2HH2 ARG 98 1HH1 ARG 98 -13.048 -7.014 0.074 777 H LEU 99 H LEU 99 -4.631 -11.343 0.408 778 HA LEU 99 HA LEU 99 -3.505 -10.311 -2.035 779 1HB LEU 99 1HB LEU 99 -2.659 -12.272 0.160 780 2HB LEU 99 2HB LEU 99 -1.614 -12.012 -1.210 781 HG LEU 99 HG LEU 99 -2.551 -9.671 0.469 782 1HD1 LEU 99 1HD1 LEU 99 -0.081 -11.420 0.855 783 2HD1 LEU 99 2HD1 LEU 99 -0.379 -9.865 1.671 784 3HD1 LEU 99 3HD1 LEU 99 -1.433 -11.250 1.985 785 1HD2 LEU 99 1HD2 LEU 99 -0.157 -10.112 -1.369 786 2HD2 LEU 99 2HD2 LEU 99 -1.595 -9.163 -1.756 787 3HD2 LEU 99 3HD2 LEU 99 -0.509 -8.636 -0.455 788 H LYS 100 H LYS 100 -4.372 -13.723 -1.096 789 HA LYS 100 HA LYS 100 -3.622 -14.643 -3.724 790 1HB LYS 100 1HB LYS 100 -4.992 -15.780 -1.339 791 2HB LYS 100 2HB LYS 100 -5.506 -16.484 -2.838 792 1HG LYS 100 1HG LYS 100 -2.599 -16.224 -2.944 793 2HG LYS 100 2HG LYS 100 -3.016 -16.859 -1.389 794 1HD LYS 100 1HD LYS 100 -4.345 -18.716 -2.514 795 2HD LYS 100 2HD LYS 100 -3.871 -18.039 -4.080 796 1HE LYS 100 1HE LYS 100 -1.434 -18.261 -2.876 797 2HE LYS 100 2HE LYS 100 -2.254 -19.610 -2.090 798 1HZ LYS 100 1HZ LYS 100 -2.058 -19.233 -5.034 799 2HZ LYS 100 2HZ LYS 100 -0.966 -20.067 -4.202 800 3HZ LYS 100 3HZ LYS 100 -2.559 -20.579 -4.269 801 H GLN 101 H GLN 101 -6.591 -13.112 -2.642 802 HA GLN 101 HA GLN 101 -8.294 -13.586 -4.732 803 1HB GLN 101 1HB GLN 101 -8.251 -11.815 -2.663 804 2HB GLN 101 2HB GLN 101 -7.783 -10.729 -3.948 805 1HG GLN 101 1HG GLN 101 -9.997 -10.438 -4.190 806 2HG GLN 101 2HG GLN 101 -9.929 -11.909 -5.157 807 1HE2 GLN 101 2HE2 GLN 101 -12.553 -12.009 -2.309 808 2HE2 GLN 101 1HE2 GLN 101 -12.264 -10.903 -3.632 809 H ILE 102 H ILE 102 -5.318 -11.477 -4.777 810 HA ILE 102 HA ILE 102 -5.955 -10.748 -7.578 811 HB ILE 102 HB ILE 102 -4.437 -8.988 -7.373 812 1HG1 ILE 102 1HG1 ILE 102 -3.676 -9.276 -4.499 813 2HG1 ILE 102 2HG1 ILE 102 -3.042 -10.480 -5.540 814 1HG2 ILE 102 1HG2 ILE 102 -6.622 -8.687 -6.303 815 2HG2 ILE 102 2HG2 ILE 102 -5.923 -9.205 -4.738 816 3HG2 ILE 102 3HG2 ILE 102 -5.329 -7.726 -5.511 817 1HD1 ILE 102 1HD1 ILE 102 -2.044 -8.767 -7.030 818 2HD1 ILE 102 2HD1 ILE 102 -2.759 -7.492 -6.013 819 3HD1 ILE 102 3HD1 ILE 102 -1.502 -8.559 -5.352 820 H GLY 103 H GLY 103 -4.347 -13.333 -6.246 821 1HA GLY 103 1HA GLY 103 -3.031 -14.894 -7.400 822 2HA GLY 103 2HA GLY 103 -2.697 -13.720 -8.664 823 H ALA 104 H ALA 104 -2.115 -14.044 -5.154 824 HA ALA 104 HA ALA 104 0.589 -12.728 -5.458 825 1HB ALA 104 3HB ALA 104 -1.430 -12.814 -3.171 826 2HB ALA 104 1HB ALA 104 0.122 -11.978 -3.096 827 3HB ALA 104 2HB ALA 104 -1.167 -11.398 -4.202 828 H LEU 105 H LEU 105 -0.920 -14.801 -2.697 829 HA LEU 105 HA LEU 105 1.677 -15.774 -2.284 830 1HB LEU 105 1HB LEU 105 -0.654 -17.399 -1.416 831 2HB LEU 105 2HB LEU 105 0.843 -17.005 -0.637 832 HG LEU 105 HG LEU 105 -1.494 -15.091 -0.851 833 1HD1 LEU 105 1HD1 LEU 105 -1.880 -17.096 0.606 834 2HD1 LEU 105 2HD1 LEU 105 -0.431 -16.672 1.526 835 3HD1 LEU 105 3HD1 LEU 105 -1.841 -15.578 1.502 836 1HD2 LEU 105 2HD2 LEU 105 1.100 -14.867 0.738 837 2HD2 LEU 105 3HD2 LEU 105 0.672 -13.886 -0.670 838 3HD2 LEU 105 1HD2 LEU 105 -0.276 -13.750 0.824 839 H GLN 106 H GLN 106 2.638 -17.591 -3.027 840 HA GLN 106 HA GLN 106 1.921 -17.765 -5.787 841 1HB GLN 106 2HB GLN 106 4.188 -17.212 -4.638 842 2HB GLN 106 3HB GLN 106 4.387 -18.960 -4.522 843 1HG GLN 106 2HG GLN 106 3.604 -18.437 -7.233 844 2HG GLN 106 3HG GLN 106 4.702 -17.125 -6.806 845 1HE2 GLN 106 2HE2 GLN 106 6.027 -21.071 -6.846 846 2HE2 GLN 106 1HE2 GLN 106 4.366 -20.632 -6.413 No H/Q in entry = 846 Start of MODEL 17 1 1H ALA 2 1H ALA 2 -2.249 16.415 -9.703 2 2H ALA 2 2H ALA 2 -2.124 16.593 -8.074 3 3H ALA 2 3H ALA 2 -0.830 16.878 -9.020 4 HA ALA 2 HA ALA 2 -0.717 14.610 -9.707 5 1HB ALA 2 2HB ALA 2 0.544 15.418 -7.681 6 2HB ALA 2 3HB ALA 2 -0.783 14.803 -6.674 7 3HB ALA 2 1HB ALA 2 0.154 13.678 -7.671 8 H GLN 3 H GLN 3 -2.043 12.981 -10.302 9 HA GLN 3 HA GLN 3 -3.736 11.781 -8.255 10 1HB GLN 3 1HB GLN 3 -4.906 12.258 -11.032 11 2HB GLN 3 2HB GLN 3 -5.575 11.228 -9.764 12 1HG GLN 3 1HG GLN 3 -5.590 13.351 -8.282 13 2HG GLN 3 2HG GLN 3 -5.338 14.251 -9.776 14 1HE2 GLN 3 2HE2 GLN 3 -8.735 12.739 -10.858 15 2HE2 GLN 3 1HE2 GLN 3 -7.129 12.362 -11.413 16 H GLU 4 H GLU 4 -2.766 11.450 -11.747 17 HA GLU 4 HA GLU 4 -2.785 8.662 -11.637 18 1HB GLU 4 1HB GLU 4 -1.602 10.629 -13.575 19 2HB GLU 4 2HB GLU 4 -1.055 8.956 -13.661 20 1HG GLU 4 1HG GLU 4 -2.868 9.009 -15.135 21 2HG GLU 4 2HG GLU 4 -3.499 8.221 -13.693 22 H PHE 5 H PHE 5 -0.237 10.697 -10.350 23 HA PHE 5 HA PHE 5 1.904 8.879 -10.347 24 1HB PHE 5 1HB PHE 5 1.877 11.197 -9.353 25 2HB PHE 5 2HB PHE 5 1.039 10.550 -7.955 26 HD1 PHE 5 2HD PHE 5 2.230 8.901 -6.432 27 HD2 PHE 5 1HD PHE 5 4.253 10.837 -9.722 28 HE1 PHE 5 2HE PHE 5 4.435 8.330 -5.441 29 HE2 PHE 5 1HE PHE 5 6.428 10.225 -8.734 30 HZ PHE 5 HZ PHE 5 6.530 8.979 -6.579 31 H VAL 6 H VAL 6 -0.990 8.989 -8.270 32 HA VAL 6 HA VAL 6 -0.401 6.395 -7.029 33 HB VAL 6 HB VAL 6 -2.647 8.427 -6.791 34 1HG1 VAL 6 1HG1 VAL 6 -2.463 5.759 -5.348 35 2HG1 VAL 6 2HG1 VAL 6 -3.576 7.071 -4.958 36 3HG1 VAL 6 3HG1 VAL 6 -3.714 6.236 -6.511 37 1HG2 VAL 6 1HG2 VAL 6 -0.510 8.955 -5.611 38 2HG2 VAL 6 2HG2 VAL 6 -1.862 8.679 -4.500 39 3HG2 VAL 6 3HG2 VAL 6 -0.640 7.421 -4.729 40 H ASN 7 H ASN 7 -2.946 7.850 -9.119 41 HA ASN 7 HA ASN 7 -4.314 5.414 -9.193 42 1HB ASN 7 1HB ASN 7 -5.146 7.882 -9.562 43 2HB ASN 7 2HB ASN 7 -4.863 7.546 -11.271 44 1HD2 ASN 7 2HD2 ASN 7 -8.354 6.569 -10.927 45 2HD2 ASN 7 1HD2 ASN 7 -7.335 7.900 -11.415 46 H CYS 8 H CYS 8 -1.634 6.224 -11.185 47 HA CYS 8 HA CYS 8 -2.383 4.095 -13.129 48 1HB CYS 8 1HB CYS 8 -1.724 6.451 -13.936 49 2HB CYS 8 2HB CYS 8 -0.075 6.024 -13.431 50 HG CYS 8 HG CYS 8 -0.207 3.631 -14.739 51 H LYS 9 H LYS 9 -0.360 4.626 -10.325 52 HA LYS 9 HA LYS 9 1.712 2.699 -11.029 53 1HB LYS 9 1HB LYS 9 0.682 3.902 -8.442 54 2HB LYS 9 2HB LYS 9 1.655 2.445 -8.359 55 1HG LYS 9 1HG LYS 9 2.628 4.962 -9.740 56 2HG LYS 9 2HG LYS 9 2.885 4.623 -8.030 57 1HD LYS 9 1HD LYS 9 4.086 2.546 -8.626 58 2HD LYS 9 2HD LYS 9 3.830 2.908 -10.353 59 1HE LYS 9 1HE LYS 9 5.140 4.952 -10.169 60 2HE LYS 9 2HE LYS 9 5.369 4.699 -8.430 61 1HZ LYS 9 1HZ LYS 9 6.251 2.747 -10.463 62 2HZ LYS 9 2HZ LYS 9 7.236 3.910 -9.863 63 3HZ LYS 9 3HZ LYS 9 6.628 2.752 -8.869 64 H ILE 10 H ILE 10 -1.299 2.539 -9.104 65 HA ILE 10 HA ILE 10 -1.048 -0.283 -8.695 66 HB ILE 10 HB ILE 10 -3.683 1.143 -8.496 67 1HG1 ILE 10 1HG1 ILE 10 -2.169 1.452 -5.974 68 2HG1 ILE 10 2HG1 ILE 10 -1.556 2.480 -7.245 69 1HG2 ILE 10 2HG2 ILE 10 -2.248 -0.916 -6.760 70 2HG2 ILE 10 3HG2 ILE 10 -3.824 -0.203 -6.392 71 3HG2 ILE 10 1HG2 ILE 10 -3.635 -1.191 -7.843 72 1HD1 ILE 10 1HD1 ILE 10 -4.482 2.327 -6.450 73 2HD1 ILE 10 2HD1 ILE 10 -3.343 3.604 -5.986 74 3HD1 ILE 10 3HD1 ILE 10 -3.785 3.394 -7.689 75 H GLN 11 H GLN 11 -2.350 -1.964 -9.576 76 HA GLN 11 HA GLN 11 -4.434 -1.414 -11.458 77 1HB GLN 11 1HB GLN 11 -3.633 -2.671 -13.313 78 2HB GLN 11 2HB GLN 11 -2.318 -1.622 -12.855 79 1HG GLN 11 1HG GLN 11 -1.565 -3.739 -11.404 80 2HG GLN 11 2HG GLN 11 -2.535 -4.611 -12.579 81 1HE2 GLN 11 2HE2 GLN 11 -0.272 -3.561 -15.324 82 2HE2 GLN 11 1HE2 GLN 11 -1.990 -3.462 -15.039 83 HA PRO 12 HA PRO 12 -6.165 -4.373 -9.037 84 1HB PRO 12 1HB PRO 12 -7.820 -6.043 -10.449 85 2HB PRO 12 2HB PRO 12 -7.985 -4.261 -10.511 86 1HG PRO 12 1HG PRO 12 -6.457 -6.054 -12.435 87 2HG PRO 12 2HG PRO 12 -7.690 -4.816 -12.829 88 1HD PRO 12 1HD PRO 12 -5.014 -4.315 -12.911 89 2HD PRO 12 2HD PRO 12 -6.167 -3.047 -12.401 90 H GLY 13 H GLY 13 -3.638 -5.373 -10.017 91 1HA GLY 13 1HA GLY 13 -3.555 -8.054 -8.786 92 2HA GLY 13 2HA GLY 13 -3.046 -7.966 -10.459 93 H LYS 14 H LYS 14 -2.311 -5.074 -8.626 94 HA LYS 14 HA LYS 14 0.477 -6.026 -8.122 95 1HB LYS 14 1HB LYS 14 -0.246 -3.875 -9.741 96 2HB LYS 14 2HB LYS 14 -0.058 -3.094 -8.182 97 1HG LYS 14 1HG LYS 14 2.212 -4.316 -8.090 98 2HG LYS 14 2HG LYS 14 1.978 -4.716 -9.786 99 1HD LYS 14 1HD LYS 14 1.782 -1.848 -8.789 100 2HD LYS 14 2HD LYS 14 3.359 -2.573 -9.020 101 1HE LYS 14 1HE LYS 14 1.354 -2.754 -11.264 102 2HE LYS 14 2HE LYS 14 2.093 -1.185 -10.917 103 1HZ LYS 14 1HZ LYS 14 3.623 -3.638 -11.471 104 2HZ LYS 14 2HZ LYS 14 3.358 -2.404 -12.536 105 3HZ LYS 14 3HZ LYS 14 4.246 -2.154 -11.155 106 H VAL 15 H VAL 15 1.338 -5.516 -5.984 107 HA VAL 15 HA VAL 15 -0.684 -4.636 -4.029 108 HB VAL 15 HB VAL 15 1.965 -6.073 -3.624 109 1HG1 VAL 15 2HG1 VAL 15 -0.454 -5.546 -1.900 110 2HG1 VAL 15 3HG1 VAL 15 0.937 -6.515 -1.366 111 3HG1 VAL 15 1HG1 VAL 15 1.106 -4.775 -1.668 112 1HG2 VAL 15 3HG2 VAL 15 -0.828 -7.272 -3.708 113 2HG2 VAL 15 1HG2 VAL 15 0.495 -7.602 -4.847 114 3HG2 VAL 15 2HG2 VAL 15 0.658 -8.101 -3.177 115 H VAL 16 H VAL 16 -0.507 -2.349 -4.384 116 HA VAL 16 HA VAL 16 2.266 -1.226 -4.305 117 HB VAL 16 HB VAL 16 -0.375 0.045 -5.104 118 1HG1 VAL 16 2HG1 VAL 16 2.431 1.228 -4.953 119 2HG1 VAL 16 3HG1 VAL 16 1.082 1.971 -5.834 120 3HG1 VAL 16 1HG1 VAL 16 0.995 1.796 -4.079 121 1HG2 VAL 16 2HG2 VAL 16 2.164 -0.753 -6.607 122 2HG2 VAL 16 3HG2 VAL 16 0.568 -1.505 -6.758 123 3HG2 VAL 16 1HG2 VAL 16 0.818 0.155 -7.324 124 H VAL 17 H VAL 17 2.906 0.132 -2.653 125 HA VAL 17 HA VAL 17 0.884 0.827 -0.599 126 HB VAL 17 HB VAL 17 3.750 0.283 0.168 127 1HG1 VAL 17 2HG1 VAL 17 1.129 0.362 1.704 128 2HG1 VAL 17 3HG1 VAL 17 2.728 0.031 2.412 129 3HG1 VAL 17 1HG1 VAL 17 2.370 1.611 1.691 130 1HG2 VAL 17 3HG2 VAL 17 1.530 -1.794 0.193 131 2HG2 VAL 17 1HG2 VAL 17 3.036 -1.864 -0.744 132 3HG2 VAL 17 2HG2 VAL 17 3.115 -1.923 1.009 133 H PHE 18 H PHE 18 0.706 3.018 -0.653 134 HA PHE 18 HA PHE 18 2.964 4.628 -1.707 135 1HB PHE 18 1HB PHE 18 0.205 5.447 -0.695 136 2HB PHE 18 2HB PHE 18 1.403 6.556 -1.370 137 HD1 PHE 18 1HD PHE 18 2.216 6.264 -3.748 138 HD2 PHE 18 2HD PHE 18 -1.065 3.980 -2.134 139 HE1 PHE 18 1HE PHE 18 1.556 5.585 -6.043 140 HE2 PHE 18 2HE PHE 18 -1.723 3.305 -4.416 141 HZ PHE 18 HZ PHE 18 -0.435 4.144 -6.380 142 H ILE 19 H ILE 19 4.431 5.588 -0.385 143 HA ILE 19 HA ILE 19 4.081 5.497 2.554 144 HB ILE 19 HB ILE 19 6.300 4.389 2.695 145 1HG1 ILE 19 1HG1 ILE 19 6.213 3.499 -0.176 146 2HG1 ILE 19 2HG1 ILE 19 6.856 5.094 0.172 147 1HG2 ILE 19 2HG2 ILE 19 4.249 3.023 2.807 148 2HG2 ILE 19 3HG2 ILE 19 4.369 2.709 1.064 149 3HG2 ILE 19 1HG2 ILE 19 5.639 2.142 2.147 150 1HD1 ILE 19 1HD1 ILE 19 7.896 2.596 1.510 151 2HD1 ILE 19 2HD1 ILE 19 8.603 3.382 0.088 152 3HD1 ILE 19 3HD1 ILE 19 8.544 4.246 1.641 153 H LYS 20 H LYS 20 6.220 6.389 3.578 154 HA LYS 20 HA LYS 20 7.845 8.001 1.833 155 1HB LYS 20 1HB LYS 20 7.936 9.951 3.286 156 2HB LYS 20 2HB LYS 20 6.351 9.726 2.561 157 1HG LYS 20 1HG LYS 20 5.574 8.729 4.788 158 2HG LYS 20 2HG LYS 20 7.167 9.148 5.442 159 1HD LYS 20 1HD LYS 20 5.688 10.910 6.081 160 2HD LYS 20 2HD LYS 20 6.727 11.548 4.796 161 1HE LYS 20 1HE LYS 20 4.819 10.917 3.161 162 2HE LYS 20 2HE LYS 20 3.822 10.629 4.592 163 1HZ LYS 20 2HZ LYS 20 5.103 13.215 3.936 164 2HZ LYS 20 3HZ LYS 20 3.497 12.842 3.713 165 3HZ LYS 20 1HZ LYS 20 4.106 12.946 5.197 166 HA PRO 21 HA PRO 21 10.567 5.449 3.941 167 1HB PRO 21 1HB PRO 21 12.975 6.851 4.014 168 2HB PRO 21 2HB PRO 21 12.268 6.119 2.543 169 1HG PRO 21 1HG PRO 21 12.036 8.991 3.496 170 2HG PRO 21 2HG PRO 21 12.463 8.397 1.857 171 1HD PRO 21 1HD PRO 21 9.933 9.139 2.411 172 2HD PRO 21 2HD PRO 21 10.235 7.653 1.459 173 H THR 22 H THR 22 10.370 8.744 5.369 174 HA THR 22 HA THR 22 11.776 8.164 7.755 175 HB THR 22 HB THR 22 10.513 10.264 8.504 176 HG1 THR 22 HG1 THR 22 9.183 11.181 7.186 177 1HG2 THR 22 2HG2 THR 22 12.786 10.230 7.437 178 2HG2 THR 22 3HG2 THR 22 11.999 10.411 5.849 179 3HG2 THR 22 1HG2 THR 22 11.866 11.689 7.069 180 H CYS 23 H CSN 23 8.416 7.692 6.803 181 HA CYS 23 HA CSN 23 7.234 7.632 9.339 182 1HB CYS 23 2HB CSN 23 6.143 7.884 7.093 183 2HB CYS 23 3HB CSN 23 6.518 6.220 6.773 184 HA PRO 24 HA PRO 24 8.898 3.529 10.515 185 1HB PRO 24 1HB PRO 24 7.930 3.400 13.061 186 2HB PRO 24 2HB PRO 24 9.337 4.414 12.607 187 1HG PRO 24 1HG PRO 24 6.458 5.284 12.957 188 2HG PRO 24 2HG PRO 24 7.943 6.062 13.587 189 1HD PRO 24 1HD PRO 24 6.684 6.871 11.279 190 2HD PRO 24 2HD PRO 24 8.454 7.003 11.495 191 H TYR 25 H TYR 25 5.587 4.722 10.292 192 HA TYR 25 HA TYR 25 4.333 2.132 10.863 193 1HB TYR 25 1HB TYR 25 3.212 4.560 9.365 194 2HB TYR 25 2HB TYR 25 2.342 3.148 9.839 195 HD1 TYR 25 1HD TYR 25 4.405 5.881 11.449 196 HD2 TYR 25 2HD TYR 25 0.956 3.280 11.706 197 HE1 TYR 25 1HE TYR 25 3.659 7.060 13.488 198 HE2 TYR 25 2HE TYR 25 0.172 4.526 13.666 199 HH TYR 25 HH TYR 25 0.384 6.606 14.677 200 H CYS 26 H CYS 26 5.411 4.102 8.027 201 HA CYS 26 HA CYS 26 4.603 2.257 6.007 202 1HB CYS 26 1HB CYS 26 6.890 4.282 6.128 203 2HB CYS 26 2HB CYS 26 6.503 3.316 4.709 204 HG CYS 26 HG CYS 26 4.722 5.565 6.338 205 H ARG 27 H ARG 27 7.735 2.571 7.795 206 HA ARG 27 HA ARG 27 8.988 0.403 6.557 207 1HB ARG 27 1HB ARG 27 10.029 2.098 8.172 208 2HB ARG 27 2HB ARG 27 9.406 1.084 9.488 209 1HG ARG 27 1HG ARG 27 10.615 -0.895 8.338 210 2HG ARG 27 2HG ARG 27 11.376 0.295 7.283 211 1HD ARG 27 1HD ARG 27 11.549 0.151 10.319 212 2HD ARG 27 2HD ARG 27 12.787 -0.371 9.166 213 HE ARG 27 HE ARG 27 12.317 2.297 8.528 214 1HH1 ARG 27 2HH2 ARG 27 13.909 0.383 10.989 215 2HH1 ARG 27 1HH2 ARG 27 14.541 1.718 11.900 216 1HH2 ARG 27 2HH1 ARG 27 13.190 4.135 9.628 217 2HH2 ARG 27 1HH1 ARG 27 14.379 3.899 10.878 218 H ARG 28 H ARG 28 6.968 0.282 9.583 219 HA ARG 28 HA ARG 28 7.213 -2.520 9.914 220 1HB ARG 28 1HB ARG 28 6.046 -1.078 11.522 221 2HB ARG 28 2HB ARG 28 4.719 -0.822 10.421 222 1HG ARG 28 1HG ARG 28 3.782 -2.884 10.774 223 2HG ARG 28 2HG ARG 28 5.305 -3.728 10.736 224 1HD ARG 28 1HD ARG 28 4.528 -4.101 12.864 225 2HD ARG 28 2HD ARG 28 5.783 -2.875 13.095 226 HE ARG 28 HE ARG 28 3.795 -1.216 12.987 227 1HH1 ARG 28 2HH2 ARG 28 3.561 -4.384 14.601 228 2HH1 ARG 28 1HH2 ARG 28 1.900 -4.150 15.049 229 1HH2 ARG 28 2HH1 ARG 28 1.864 -0.794 13.790 230 2HH2 ARG 28 1HH1 ARG 28 0.956 -1.885 14.804 231 H ALA 29 H ALA 29 4.749 -0.723 8.191 232 HA ALA 29 HA ALA 29 3.319 -2.904 7.127 233 1HB ALA 29 3HB ALA 29 3.799 -0.227 5.745 234 2HB ALA 29 1HB ALA 29 2.616 -1.435 5.222 235 3HB ALA 29 2HB ALA 29 2.438 -0.673 6.810 236 H GLN 30 H GLN 30 6.330 -1.417 5.630 237 HA GLN 30 HA GLN 30 6.501 -3.153 3.502 238 1HB GLN 30 1HB GLN 30 8.426 -1.456 5.142 239 2HB GLN 30 2HB GLN 30 9.119 -2.750 4.150 240 1HG GLN 30 1HG GLN 30 9.055 -0.931 2.693 241 2HG GLN 30 2HG GLN 30 7.682 -2.015 2.356 242 1HE2 GLN 30 2HE2 GLN 30 5.222 0.459 3.158 243 2HE2 GLN 30 1HE2 GLN 30 5.519 -1.232 2.742 244 H GLU 31 H GLU 31 7.819 -3.680 6.807 245 HA GLU 31 HA GLU 31 8.979 -6.161 6.153 246 1HB GLU 31 1HB GLU 31 8.659 -4.350 8.392 247 2HB GLU 31 2HB GLU 31 8.034 -5.891 8.942 248 1HG GLU 31 1HG GLU 31 10.125 -6.983 8.490 249 2HG GLU 31 2HG GLU 31 10.744 -5.564 7.624 250 H ILE 32 H ILE 32 5.936 -5.375 7.762 251 HA ILE 32 HA ILE 32 4.760 -7.873 8.103 252 HB ILE 32 HB ILE 32 3.892 -5.038 7.696 253 1HG1 ILE 32 1HG1 ILE 32 3.437 -7.158 9.848 254 2HG1 ILE 32 2HG1 ILE 32 4.563 -5.807 9.907 255 1HG2 ILE 32 3HG2 ILE 32 1.851 -7.226 7.545 256 2HG2 ILE 32 1HG2 ILE 32 1.505 -5.504 7.870 257 3HG2 ILE 32 2HG2 ILE 32 2.215 -5.960 6.345 258 1HD1 ILE 32 3HD1 ILE 32 2.452 -4.289 9.760 259 2HD1 ILE 32 1HD1 ILE 32 1.534 -5.759 10.141 260 3HD1 ILE 32 2HD1 ILE 32 2.744 -5.164 11.287 261 H LEU 33 H LEU 33 4.742 -5.779 5.166 262 HA LEU 33 HA LEU 33 3.041 -7.729 3.867 263 1HB LEU 33 1HB LEU 33 4.296 -5.131 2.977 264 2HB LEU 33 2HB LEU 33 3.813 -6.270 1.746 265 HG LEU 33 HG LEU 33 1.842 -5.246 3.864 266 1HD1 LEU 33 3HD1 LEU 33 2.257 -4.320 1.025 267 2HD1 LEU 33 1HD1 LEU 33 0.920 -3.909 2.087 268 3HD1 LEU 33 2HD1 LEU 33 2.561 -3.412 2.540 269 1HD2 LEU 33 2HD2 LEU 33 1.276 -7.477 2.717 270 2HD2 LEU 33 3HD2 LEU 33 0.155 -6.161 2.350 271 3HD2 LEU 33 1HD2 LEU 33 1.389 -6.644 1.169 272 H SER 34 H SER 34 6.546 -6.788 3.734 273 HA SER 34 HA SER 34 7.245 -8.547 1.608 274 1HB SER 34 1HB SER 34 8.969 -7.710 3.969 275 2HB SER 34 2HB SER 34 9.546 -8.371 2.432 276 HG SER 34 HG SER 34 8.194 -5.938 2.923 277 H GLN 35 H GLN 35 6.507 -9.371 4.939 278 HA GLN 35 HA GLN 35 8.073 -11.775 5.101 279 1HB GLN 35 1HB GLN 35 5.715 -10.563 6.589 280 2HB GLN 35 2HB GLN 35 6.293 -12.179 7.016 281 1HG GLN 35 1HG GLN 35 8.346 -11.439 7.800 282 2HG GLN 35 2HG GLN 35 8.321 -9.959 6.855 283 1HE2 GLN 35 2HE2 GLN 35 7.658 -8.366 9.961 284 2HE2 GLN 35 1HE2 GLN 35 8.854 -8.738 8.742 285 H LEU 36 H LEU 36 5.233 -11.144 3.251 286 HA LEU 36 HA LEU 36 4.322 -13.948 3.453 287 1HB LEU 36 1HB LEU 36 3.096 -11.421 2.327 288 2HB LEU 36 2HB LEU 36 2.390 -13.023 2.172 289 HG LEU 36 HG LEU 36 2.850 -11.449 4.742 290 1HD1 LEU 36 3HD1 LEU 36 0.317 -12.416 3.359 291 2HD1 LEU 36 1HD1 LEU 36 0.383 -11.572 4.916 292 3HD1 LEU 36 2HD1 LEU 36 0.919 -10.739 3.448 293 1HD2 LEU 36 1HD2 LEU 36 1.898 -14.319 4.415 294 2HD2 LEU 36 2HD2 LEU 36 3.265 -13.727 5.384 295 3HD2 LEU 36 3HD2 LEU 36 1.617 -13.353 5.880 296 HA PRO 37 HA PRO 37 6.675 -14.526 -0.246 297 1HB PRO 37 1HB PRO 37 6.014 -17.075 -0.926 298 2HB PRO 37 2HB PRO 37 6.901 -16.683 0.576 299 1HG PRO 37 1HG PRO 37 3.927 -17.198 0.254 300 2HG PRO 37 2HG PRO 37 5.047 -17.879 1.473 301 1HD PRO 37 1HD PRO 37 3.455 -15.685 1.967 302 2HD PRO 37 2HD PRO 37 5.043 -15.901 2.732 303 H ILE 38 H ILE 38 5.546 -12.809 -1.337 304 HA ILE 38 HA ILE 38 3.106 -13.515 -2.880 305 HB ILE 38 HB ILE 38 4.591 -11.017 -1.853 306 1HG1 ILE 38 1HG1 ILE 38 1.593 -11.608 -1.676 307 2HG1 ILE 38 2HG1 ILE 38 2.754 -12.372 -0.588 308 1HG2 ILE 38 1HG2 ILE 38 2.404 -10.827 -3.985 309 2HG2 ILE 38 2HG2 ILE 38 2.874 -9.486 -2.945 310 3HG2 ILE 38 3HG2 ILE 38 4.044 -10.163 -4.035 311 1HD1 ILE 38 2HD1 ILE 38 3.665 -10.080 -0.012 312 2HD1 ILE 38 3HD1 ILE 38 2.210 -9.415 -0.806 313 3HD1 ILE 38 1HD1 ILE 38 2.075 -10.466 0.600 314 H LYS 39 H LYS 39 3.033 -13.160 -5.232 315 HA LYS 39 HA LYS 39 5.038 -13.661 -6.736 316 1HB LYS 39 1HB LYS 39 2.593 -12.107 -7.183 317 2HB LYS 39 2HB LYS 39 3.813 -12.162 -8.486 318 1HG LYS 39 1HG LYS 39 3.751 -14.503 -8.597 319 2HG LYS 39 2HG LYS 39 2.925 -14.719 -7.107 320 1HD LYS 39 1HD LYS 39 1.396 -15.124 -8.993 321 2HD LYS 39 2HD LYS 39 0.867 -13.808 -7.952 322 1HE LYS 39 1HE LYS 39 2.047 -12.216 -9.654 323 2HE LYS 39 2HE LYS 39 2.113 -13.612 -10.729 324 1HZ LYS 39 3HZ LYS 39 -0.323 -13.720 -10.546 325 2HZ LYS 39 1HZ LYS 39 -0.337 -12.403 -9.579 326 3HZ LYS 39 2HZ LYS 39 0.173 -12.255 -11.127 327 H GLN 40 H GLN 40 7.027 -12.657 -7.285 328 HA GLN 40 HA GLN 40 7.568 -10.151 -6.031 329 1HB GLN 40 1HB GLN 40 9.225 -12.070 -6.524 330 2HB GLN 40 2HB GLN 40 9.383 -11.365 -8.137 331 1HG GLN 40 1HG GLN 40 11.153 -10.632 -6.518 332 2HG GLN 40 2HG GLN 40 10.236 -9.278 -7.174 333 1HE2 GLN 40 2HE2 GLN 40 9.471 -8.133 -3.889 334 2HE2 GLN 40 1HE2 GLN 40 9.835 -7.703 -5.556 335 H GLY 41 H GLY 41 8.328 -8.139 -7.148 336 1HA GLY 41 1HA GLY 41 7.990 -6.457 -8.674 337 2HA GLY 41 2HA GLY 41 7.306 -7.617 -9.812 338 H LEU 42 H LEU 42 5.229 -8.518 -7.502 339 HA LEU 42 HA LEU 42 3.267 -6.533 -8.181 340 1HB LEU 42 1HB LEU 42 3.150 -8.532 -5.923 341 2HB LEU 42 2HB LEU 42 1.881 -7.576 -6.634 342 HG LEU 42 HG LEU 42 3.217 -10.000 -7.788 343 1HD1 LEU 42 1HD1 LEU 42 1.299 -10.177 -6.225 344 2HD1 LEU 42 2HD1 LEU 42 0.339 -9.146 -7.307 345 3HD1 LEU 42 3HD1 LEU 42 0.868 -10.734 -7.864 346 1HD2 LEU 42 1HD2 LEU 42 1.591 -8.006 -9.331 347 2HD2 LEU 42 2HD2 LEU 42 3.189 -8.690 -9.722 348 3HD2 LEU 42 3HD2 LEU 42 1.750 -9.718 -9.791 349 H LEU 43 H LEU 43 5.490 -7.124 -5.394 350 HA LEU 43 HA LEU 43 3.962 -5.262 -3.776 351 1HB LEU 43 1HB LEU 43 5.509 -7.452 -3.111 352 2HB LEU 43 2HB LEU 43 6.590 -6.146 -2.733 353 HG LEU 43 HG LEU 43 5.595 -6.304 -0.729 354 1HD1 LEU 43 3HD1 LEU 43 4.896 -4.016 -1.552 355 2HD1 LEU 43 1HD1 LEU 43 3.287 -4.693 -1.852 356 3HD1 LEU 43 2HD1 LEU 43 3.949 -4.705 -0.224 357 1HD2 LEU 43 2HD2 LEU 43 3.065 -7.262 -2.097 358 2HD2 LEU 43 3HD2 LEU 43 4.270 -8.212 -1.219 359 3HD2 LEU 43 1HD2 LEU 43 3.246 -7.079 -0.332 360 H GLU 44 H GLU 44 4.154 -3.097 -4.370 361 HA GLU 44 HA GLU 44 6.963 -2.138 -4.683 362 1HB GLU 44 1HB GLU 44 5.697 -2.185 -6.884 363 2HB GLU 44 2HB GLU 44 4.671 -0.897 -6.209 364 1HG GLU 44 1HG GLU 44 6.897 0.303 -5.587 365 2HG GLU 44 2HG GLU 44 7.714 -0.914 -6.562 366 H PHE 45 H PHE 45 7.480 -1.012 -3.013 367 HA PHE 45 HA PHE 45 5.570 0.623 -1.506 368 1HB PHE 45 1HB PHE 45 8.578 0.397 -1.140 369 2HB PHE 45 2HB PHE 45 7.363 0.870 0.043 370 HD1 PHE 45 2HD PHE 45 5.387 -1.092 0.212 371 HD2 PHE 45 1HD PHE 45 9.537 -1.722 -0.740 372 HE1 PHE 45 2HE PHE 45 5.215 -3.431 1.026 373 HE2 PHE 45 1HE PHE 45 9.338 -4.085 -0.010 374 HZ PHE 45 HZ PHE 45 7.179 -4.943 0.874 375 H VAL 46 H VAL 46 5.033 2.521 -2.516 376 HA VAL 46 HA VAL 46 6.904 3.855 -4.390 377 HB VAL 46 HB VAL 46 3.895 4.063 -3.940 378 1HG1 VAL 46 3HG1 VAL 46 5.676 5.472 -5.989 379 2HG1 VAL 46 1HG1 VAL 46 3.902 5.480 -5.997 380 3HG1 VAL 46 2HG1 VAL 46 4.780 6.237 -4.665 381 1HG2 VAL 46 2HG2 VAL 46 4.623 1.971 -5.089 382 2HG2 VAL 46 3HG2 VAL 46 3.700 3.041 -6.146 383 3HG2 VAL 46 1HG2 VAL 46 5.470 2.954 -6.300 384 H ASP 47 H ASP 47 8.200 5.235 -3.261 385 HA ASP 47 HA ASP 47 7.351 6.773 -0.967 386 1HB ASP 47 1HB ASP 47 9.732 6.289 -1.598 387 2HB ASP 47 2HB ASP 47 9.557 7.446 -2.924 388 H ILE 48 H ILE 48 6.289 8.603 -0.915 389 HA ILE 48 HA ILE 48 5.561 10.023 -3.445 390 HB ILE 48 HB ILE 48 3.593 10.770 -2.382 391 1HG1 ILE 48 1HG1 ILE 48 4.683 9.625 0.224 392 2HG1 ILE 48 2HG1 ILE 48 4.417 11.298 -0.176 393 1HG2 ILE 48 3HG2 ILE 48 3.646 8.406 -3.254 394 2HG2 ILE 48 1HG2 ILE 48 3.913 7.828 -1.598 395 3HG2 ILE 48 2HG2 ILE 48 2.415 8.664 -2.017 396 1HD1 ILE 48 3HD1 ILE 48 1.974 10.855 -0.366 397 2HD1 ILE 48 1HD1 ILE 48 2.266 9.198 0.213 398 3HD1 ILE 48 2HD1 ILE 48 2.644 10.572 1.262 399 H THR 49 H THR 49 7.624 10.272 -0.666 400 HA THR 49 HA THR 49 7.701 13.216 -0.772 401 HB THR 49 HB THR 49 7.771 11.552 1.346 402 HG1 THR 49 HG1 THR 49 8.200 13.324 2.412 403 1HG2 THR 49 3HG2 THR 49 10.001 10.576 0.757 404 2HG2 THR 49 1HG2 THR 49 10.723 12.173 0.909 405 3HG2 THR 49 2HG2 THR 49 9.966 11.399 2.321 406 H ALA 50 H ALA 50 8.953 10.642 -2.401 407 HA ALA 50 HA ALA 50 11.469 11.578 -3.383 408 1HB ALA 50 1HB ALA 50 9.317 9.700 -4.467 409 2HB ALA 50 2HB ALA 50 10.881 9.977 -5.237 410 3HB ALA 50 3HB ALA 50 10.827 9.251 -3.627 411 H THR 51 H THR 51 10.567 13.717 -3.269 412 HA THR 51 HA THR 51 10.171 15.754 -4.098 413 HB THR 51 HB THR 51 11.012 16.183 -6.355 414 HG1 THR 51 HG1 THR 51 11.411 14.681 -7.741 415 1HG2 THR 51 1HG2 THR 51 12.593 15.817 -4.441 416 2HG2 THR 51 2HG2 THR 51 12.710 14.100 -4.885 417 3HG2 THR 51 3HG2 THR 51 13.287 15.337 -6.000 418 H ASN 52 H ASN 52 7.941 13.462 -5.018 419 HA ASN 52 HA ASN 52 6.646 15.069 -7.037 420 1HB ASN 52 1HB ASN 52 6.909 12.236 -6.356 421 2HB ASN 52 2HB ASN 52 5.225 12.627 -6.639 422 1HD2 ASN 52 2HD2 ASN 52 7.881 12.842 -9.737 423 2HD2 ASN 52 1HD2 ASN 52 8.378 12.331 -8.133 424 H HIS 53 H HIS 53 6.341 15.617 -4.041 425 HA HIS 53 HA HIS 53 4.938 16.946 -2.825 426 1HB HIS 53 1HB HIS 53 2.911 16.605 -5.103 427 2HB HIS 53 2HB HIS 53 2.651 17.504 -3.630 428 HD1 HIS 53 1HD HIS 53 2.204 19.151 -6.094 429 HD2 HIS 53 2HD HIS 53 5.993 18.638 -4.257 430 HE1 HIS 53 1HE HIS 53 3.609 21.115 -6.791 431 H THR 54 H THR 54 4.976 15.033 -1.120 432 HA THR 54 HA THR 54 3.109 13.189 -0.991 433 HB THR 54 HB THR 54 3.633 12.925 1.033 434 HG1 THR 54 HG1 THR 54 2.720 14.364 2.266 435 1HG2 THR 54 1HG2 THR 54 5.716 13.196 -0.047 436 2HG2 THR 54 2HG2 THR 54 5.876 14.835 0.637 437 3HG2 THR 54 3HG2 THR 54 5.797 13.399 1.701 438 H ASN 55 H ASN 55 2.604 16.482 0.311 439 HA ASN 55 HA ASN 55 0.101 16.124 1.323 440 1HB ASN 55 1HB ASN 55 1.497 18.251 1.389 441 2HB ASN 55 2HB ASN 55 0.789 18.675 -0.180 442 1HD2 ASN 55 2HD2 ASN 55 -1.181 19.978 2.840 443 2HD2 ASN 55 1HD2 ASN 55 0.438 20.243 2.200 444 H GLU 56 H GLU 56 0.746 17.052 -2.117 445 HA GLU 56 HA GLU 56 -1.985 17.195 -2.886 446 1HB GLU 56 1HB GLU 56 0.669 16.724 -4.309 447 2HB GLU 56 2HB GLU 56 -0.828 16.396 -5.150 448 1HG GLU 56 1HG GLU 56 -1.553 18.808 -4.315 449 2HG GLU 56 2HG GLU 56 0.199 19.012 -4.184 450 H ILE 57 H ILE 57 0.362 14.495 -3.100 451 HA ILE 57 HA ILE 57 -1.425 12.618 -4.313 452 HB ILE 57 HB ILE 57 1.238 12.561 -2.834 453 1HG1 ILE 57 1HG1 ILE 57 0.494 11.462 -5.589 454 2HG1 ILE 57 2HG1 ILE 57 0.839 13.172 -5.326 455 1HG2 ILE 57 2HG2 ILE 57 -0.413 10.124 -3.549 456 2HG2 ILE 57 3HG2 ILE 57 1.341 10.056 -3.387 457 3HG2 ILE 57 1HG2 ILE 57 0.341 10.507 -2.003 458 1HD1 ILE 57 1HD1 ILE 57 3.083 12.639 -4.451 459 2HD1 ILE 57 2HD1 ILE 57 2.809 10.922 -4.788 460 3HD1 ILE 57 3HD1 ILE 57 2.842 12.090 -6.117 461 H GLN 58 H GLN 58 -0.804 13.570 -0.971 462 HA GLN 58 HA GLN 58 -2.021 11.240 0.268 463 1HB GLN 58 1HB GLN 58 -0.801 13.917 1.158 464 2HB GLN 58 2HB GLN 58 -1.805 13.009 2.257 465 1HG GLN 58 1HG GLN 58 -0.328 10.937 1.775 466 2HG GLN 58 2HG GLN 58 0.767 12.087 1.017 467 1HE2 GLN 58 2HE2 GLN 58 0.331 11.989 5.138 468 2HE2 GLN 58 1HE2 GLN 58 -0.836 11.286 4.050 469 H ASP 59 H ASP 59 -2.901 14.601 -0.481 470 HA ASP 59 HA ASP 59 -5.482 14.771 0.677 471 1HB ASP 59 1HB ASP 59 -3.826 16.521 -0.445 472 2HB ASP 59 2HB ASP 59 -4.663 16.155 -1.912 473 H TYR 60 H TYR 60 -4.329 14.058 -2.560 474 HA TYR 60 HA TYR 60 -6.823 13.276 -3.712 475 1HB TYR 60 1HB TYR 60 -4.942 13.700 -5.169 476 2HB TYR 60 2HB TYR 60 -4.013 12.390 -4.439 477 HD1 TYR 60 2HD TYR 60 -7.481 12.808 -5.917 478 HD2 TYR 60 1HD TYR 60 -3.876 10.442 -5.751 479 HE1 TYR 60 2HE TYR 60 -8.513 11.156 -7.411 480 HE2 TYR 60 1HE TYR 60 -4.908 8.787 -7.289 481 HH TYR 60 HH TYR 60 -8.341 8.948 -8.238 482 H LEU 61 H LEU 61 -4.356 11.217 -2.034 483 HA LEU 61 HA LEU 61 -5.801 8.782 -2.193 484 1HB LEU 61 1HB LEU 61 -3.837 9.869 -0.162 485 2HB LEU 61 2HB LEU 61 -4.614 8.331 0.104 486 HG LEU 61 HG LEU 61 -3.060 8.904 -2.455 487 1HD1 LEU 61 3HD1 LEU 61 -2.002 7.718 0.151 488 2HD1 LEU 61 1HD1 LEU 61 -1.145 7.739 -1.413 489 3HD1 LEU 61 2HD1 LEU 61 -1.512 9.256 -0.592 490 1HD2 LEU 61 3HD2 LEU 61 -4.603 6.948 -2.423 491 2HD2 LEU 61 1HD2 LEU 61 -2.905 6.468 -2.559 492 3HD2 LEU 61 2HD2 LEU 61 -3.761 6.317 -1.004 493 H GLN 62 H GLN 62 -6.120 11.471 0.135 494 HA GLN 62 HA GLN 62 -8.070 10.265 1.789 495 1HB GLN 62 1HB GLN 62 -6.681 12.461 2.026 496 2HB GLN 62 2HB GLN 62 -7.999 13.227 1.181 497 1HG GLN 62 1HG GLN 62 -8.252 11.678 3.786 498 2HG GLN 62 2HG GLN 62 -8.123 13.420 3.656 499 1HE2 GLN 62 2HE2 GLN 62 -11.502 13.633 2.134 500 2HE2 GLN 62 1HE2 GLN 62 -9.894 14.255 1.747 501 H GLN 63 H GLN 63 -8.438 12.102 -1.276 502 HA GLN 63 HA GLN 63 -11.306 11.934 -1.326 503 1HB GLN 63 1HB GLN 63 -9.750 13.420 -2.732 504 2HB GLN 63 2HB GLN 63 -9.515 12.030 -3.785 505 1HG GLN 63 1HG GLN 63 -11.959 11.878 -4.153 506 2HG GLN 63 2HG GLN 63 -12.215 13.243 -3.060 507 1HE2 GLN 63 2HE2 GLN 63 -11.759 15.614 -5.663 508 2HE2 GLN 63 1HE2 GLN 63 -12.392 15.238 -4.079 509 H LEU 64 H LEU 64 -8.823 10.081 -2.986 510 HA LEU 64 HA LEU 64 -10.460 8.279 -4.364 511 1HB LEU 64 1HB LEU 64 -8.314 8.713 -5.220 512 2HB LEU 64 2HB LEU 64 -7.554 8.466 -3.660 513 HG LEU 64 HG LEU 64 -7.944 5.990 -3.871 514 1HD1 LEU 64 1HD1 LEU 64 -9.663 6.071 -5.653 515 2HD1 LEU 64 2HD1 LEU 64 -8.467 6.701 -6.789 516 3HD1 LEU 64 3HD1 LEU 64 -8.287 5.063 -6.103 517 1HD2 LEU 64 1HD2 LEU 64 -5.781 7.144 -4.317 518 2HD2 LEU 64 2HD2 LEU 64 -6.004 5.651 -5.252 519 3HD2 LEU 64 3HD2 LEU 64 -6.225 7.231 -6.029 520 H THR 65 H THR 65 -9.056 7.849 -1.066 521 HA THR 65 HA THR 65 -10.558 5.270 -0.963 522 HB THR 65 HB THR 65 -8.904 4.138 0.010 523 HG1 THR 65 HG1 THR 65 -8.253 5.008 1.692 524 1HG2 THR 65 1HG2 THR 65 -7.222 6.110 -1.562 525 2HG2 THR 65 2HG2 THR 65 -6.709 4.527 -0.979 526 3HG2 THR 65 3HG2 THR 65 -8.019 4.615 -2.163 527 H GLY 66 H GLY 66 -9.919 8.315 0.735 528 1HA GLY 66 1HA GLY 66 -11.686 9.070 2.207 529 2HA GLY 66 2HA GLY 66 -11.854 7.450 2.840 530 H ALA 67 H ALA 67 -8.468 7.999 2.533 531 HA ALA 67 HA ALA 67 -8.273 9.669 4.917 532 1HB ALA 67 2HB ALA 67 -7.212 6.823 4.941 533 2HB ALA 67 3HB ALA 67 -6.876 8.068 6.166 534 3HB ALA 67 1HB ALA 67 -8.529 7.461 5.952 535 H ARG 68 H ARG 68 -6.314 10.641 5.085 536 HA ARG 68 HA ARG 68 -4.618 10.597 2.652 537 1HB ARG 68 1HB ARG 68 -3.696 12.656 3.406 538 2HB ARG 68 2HB ARG 68 -5.401 12.761 3.831 539 1HG ARG 68 1HG ARG 68 -4.766 11.943 6.144 540 2HG ARG 68 2HG ARG 68 -3.064 12.124 5.701 541 1HD ARG 68 1HD ARG 68 -3.178 14.456 5.563 542 2HD ARG 68 2HD ARG 68 -4.939 14.467 5.431 543 HE ARG 68 HE ARG 68 -3.300 14.063 7.838 544 1HH1 ARG 68 2HH2 ARG 68 -6.605 14.288 6.535 545 2HH1 ARG 68 1HH2 ARG 68 -7.381 13.545 7.875 546 1HH2 ARG 68 2HH1 ARG 68 -4.328 13.586 9.848 547 2HH2 ARG 68 1HH1 ARG 68 -6.051 13.416 9.937 548 H THR 69 H THR 69 -4.602 9.083 5.775 549 HA THR 69 HA THR 69 -1.898 9.617 6.482 550 HB THR 69 HB THR 69 -2.502 7.792 8.206 551 HG1 THR 69 HG1 THR 69 -4.244 6.740 7.854 552 1HG2 THR 69 2HG2 THR 69 -2.750 10.230 8.671 553 2HG2 THR 69 3HG2 THR 69 -4.393 10.191 7.989 554 3HG2 THR 69 1HG2 THR 69 -4.017 9.277 9.458 555 H VAL 70 H VAL 70 -0.122 8.384 6.224 556 HA VAL 70 HA VAL 70 -0.323 6.144 4.304 557 HB VAL 70 HB VAL 70 2.252 6.597 4.181 558 1HG1 VAL 70 1HG1 VAL 70 0.674 6.913 2.325 559 2HG1 VAL 70 2HG1 VAL 70 0.243 8.522 2.941 560 3HG1 VAL 70 3HG1 VAL 70 1.892 8.187 2.358 561 1HG2 VAL 70 1HG2 VAL 70 2.280 8.274 6.061 562 2HG2 VAL 70 2HG2 VAL 70 2.976 8.836 4.537 563 3HG2 VAL 70 3HG2 VAL 70 1.361 9.390 5.026 564 HA PRO 71 HA PRO 71 1.755 4.488 3.780 565 1HB PRO 71 1HB PRO 71 1.501 1.758 4.058 566 2HB PRO 71 2HB PRO 71 2.978 2.652 4.521 567 1HG PRO 71 1HG PRO 71 0.690 1.791 6.306 568 2HG PRO 71 2HG PRO 71 2.450 1.577 6.578 569 1HD PRO 71 1HD PRO 71 1.143 3.629 7.722 570 2HD PRO 71 2HD PRO 71 2.769 3.871 7.043 571 H ARG 72 H ARG 72 0.303 3.595 2.085 572 HA ARG 72 HA ARG 72 -2.420 2.771 3.032 573 1HB ARG 72 1HB ARG 72 -1.920 4.557 0.604 574 2HB ARG 72 2HB ARG 72 -3.453 3.818 1.083 575 1HG ARG 72 1HG ARG 72 -2.723 5.024 3.419 576 2HG ARG 72 2HG ARG 72 -1.993 6.134 2.270 577 1HD ARG 72 1HD ARG 72 -4.147 6.989 2.844 578 2HD ARG 72 2HD ARG 72 -4.279 6.373 1.199 579 HE ARG 72 HE ARG 72 -5.935 5.031 1.897 580 1HH1 ARG 72 2HH2 ARG 72 -4.015 5.754 4.854 581 2HH1 ARG 72 1HH2 ARG 72 -5.126 4.890 5.880 582 1HH2 ARG 72 2HH1 ARG 72 -7.311 3.819 3.370 583 2HH2 ARG 72 1HH1 ARG 72 -6.906 3.816 5.058 584 H VAL 73 H VAL 73 -2.474 0.668 2.654 585 HA VAL 73 HA VAL 73 -0.827 -0.519 0.508 586 HB VAL 73 HB VAL 73 -2.556 -1.686 2.733 587 1HG1 VAL 73 1HG1 VAL 73 -0.908 -3.104 0.580 588 2HG1 VAL 73 2HG1 VAL 73 -1.628 -3.897 2.003 589 3HG1 VAL 73 3HG1 VAL 73 -2.669 -3.185 0.778 590 1HG2 VAL 73 3HG2 VAL 73 0.454 -1.706 2.303 591 2HG2 VAL 73 1HG2 VAL 73 -0.433 -0.866 3.605 592 3HG2 VAL 73 2HG2 VAL 73 -0.400 -2.632 3.521 593 H PHE 74 H PHE 74 -1.664 -0.905 -1.431 594 HA PHE 74 HA PHE 74 -4.584 -1.197 -1.822 595 1HB PHE 74 1HB PHE 74 -2.442 -0.180 -3.712 596 2HB PHE 74 2HB PHE 74 -4.019 -0.753 -4.225 597 HD1 PHE 74 1HD PHE 74 -2.437 1.787 -1.948 598 HD2 PHE 74 2HD PHE 74 -5.834 0.754 -4.409 599 HE1 PHE 74 1HE PHE 74 -3.317 4.093 -1.734 600 HE2 PHE 74 2HE PHE 74 -6.658 3.076 -4.242 601 HZ PHE 74 HZ PHE 74 -5.379 4.759 -2.946 602 H ILE 75 H ILE 75 -4.805 -3.383 -1.627 603 HA ILE 75 HA ILE 75 -2.856 -5.203 -2.966 604 HB ILE 75 HB ILE 75 -4.694 -5.494 -0.673 605 1HG1 ILE 75 1HG1 ILE 75 -3.198 -7.584 -0.367 606 2HG1 ILE 75 2HG1 ILE 75 -2.287 -6.969 -1.753 607 1HG2 ILE 75 3HG2 ILE 75 -6.025 -6.844 -2.289 608 2HG2 ILE 75 1HG2 ILE 75 -4.559 -7.792 -2.641 609 3HG2 ILE 75 2HG2 ILE 75 -5.271 -7.787 -1.019 610 1HD1 ILE 75 1HD1 ILE 75 -1.812 -4.955 -0.417 611 2HD1 ILE 75 2HD1 ILE 75 -2.636 -5.736 0.973 612 3HD1 ILE 75 3HD1 ILE 75 -1.170 -6.454 0.278 613 H GLY 76 H GLY 76 -3.204 -5.087 -5.104 614 1HA GLY 76 1HA GLY 76 -4.188 -4.985 -7.123 615 2HA GLY 76 2HA GLY 76 -5.324 -6.177 -6.513 616 H LYS 77 H LYS 77 -4.618 -2.746 -6.336 617 HA LYS 77 HA LYS 77 -5.742 -0.926 -6.010 618 1HB LYS 77 1HB LYS 77 -6.210 -1.845 -8.560 619 2HB LYS 77 2HB LYS 77 -7.853 -1.537 -8.022 620 1HG LYS 77 1HG LYS 77 -6.245 0.696 -7.159 621 2HG LYS 77 2HG LYS 77 -5.733 0.297 -8.793 622 1HD LYS 77 1HD LYS 77 -7.970 0.652 -9.653 623 2HD LYS 77 2HD LYS 77 -8.634 0.807 -8.007 624 1HE LYS 77 1HE LYS 77 -7.203 2.790 -7.594 625 2HE LYS 77 2HE LYS 77 -6.489 2.618 -9.210 626 1HZ LYS 77 3HZ LYS 77 -8.738 2.978 -10.110 627 2HZ LYS 77 1HZ LYS 77 -9.274 3.349 -8.588 628 3HZ LYS 77 2HZ LYS 77 -8.095 4.257 -9.329 629 H ASP 78 H ASP 78 -7.005 -3.247 -4.325 630 HA ASP 78 HA ASP 78 -9.233 -1.467 -3.466 631 1HB ASP 78 1HB ASP 78 -9.758 -3.918 -3.559 632 2HB ASP 78 2HB ASP 78 -8.468 -4.194 -2.379 633 H CYS 79 H CYS 79 -8.550 0.110 -2.071 634 HA CYS 79 HA CYS 79 -6.009 -0.058 -0.691 635 1HB CYS 79 1HB CYS 79 -7.079 2.093 -1.435 636 2HB CYS 79 2HB CYS 79 -8.303 1.865 -0.175 637 HG CYS 79 HG CYS 79 -6.748 1.871 1.828 638 H ILE 80 H ILE 80 -5.807 -1.617 0.993 639 HA ILE 80 HA ILE 80 -8.253 -2.546 2.269 640 HB ILE 80 HB ILE 80 -6.961 -4.277 3.095 641 1HG1 ILE 80 1HG1 ILE 80 -4.486 -4.512 2.588 642 2HG1 ILE 80 2HG1 ILE 80 -4.455 -2.774 2.285 643 1HG2 ILE 80 1HG2 ILE 80 -7.493 -4.221 0.619 644 2HG2 ILE 80 2HG2 ILE 80 -5.810 -3.762 0.340 645 3HG2 ILE 80 3HG2 ILE 80 -6.194 -5.321 1.109 646 1HD1 ILE 80 2HD1 ILE 80 -5.478 -3.926 4.904 647 2HD1 ILE 80 3HD1 ILE 80 -3.749 -3.671 4.600 648 3HD1 ILE 80 1HD1 ILE 80 -4.842 -2.292 4.592 649 H GLY 81 H GLY 81 -5.956 -0.090 2.882 650 1HA GLY 81 1HA GLY 81 -7.086 1.445 4.601 651 2HA GLY 81 2HA GLY 81 -6.764 0.125 5.723 652 H GLY 82 H GLY 82 -5.493 1.754 6.821 653 1HA GLY 82 1HA GLY 82 -2.856 2.370 5.651 654 2HA GLY 82 2HA GLY 82 -3.530 3.098 7.116 655 H CYS 83 H CYS 83 -1.456 2.440 8.227 656 HA CYS 83 HA CYS 83 -0.580 -0.300 8.120 657 1HB CYS 83 1HB CYS 83 0.696 1.947 8.851 658 2HB CYS 83 2HB CYS 83 0.144 1.443 10.461 659 HG CYS 83 HG CYS 83 2.588 0.528 8.739 660 H SER 84 H SER 84 -2.728 1.603 10.284 661 HA SER 84 HA SER 84 -2.589 -0.348 12.327 662 1HB SER 84 1HB SER 84 -3.306 2.113 12.504 663 2HB SER 84 2HB SER 84 -4.890 1.595 11.908 664 HG SER 84 HG SER 84 -5.161 0.360 13.725 665 H ASP 85 H ASP 85 -4.361 -0.149 9.340 666 HA ASP 85 HA ASP 85 -6.536 -1.978 10.132 667 1HB ASP 85 1HB ASP 85 -5.733 -0.704 7.473 668 2HB ASP 85 2HB ASP 85 -7.205 -1.646 7.760 669 H LEU 86 H LEU 86 -3.833 -1.801 7.822 670 HA LEU 86 HA LEU 86 -3.621 -4.385 6.841 671 1HB LEU 86 1HB LEU 86 -2.236 -2.474 6.104 672 2HB LEU 86 2HB LEU 86 -1.487 -2.394 7.695 673 HG LEU 86 HG LEU 86 -0.509 -4.697 7.313 674 1HD1 LEU 86 3HD1 LEU 86 -1.519 -4.249 4.472 675 2HD1 LEU 86 1HD1 LEU 86 -0.347 -5.487 4.974 676 3HD1 LEU 86 2HD1 LEU 86 -2.000 -5.538 5.585 677 1HD2 LEU 86 1HD2 LEU 86 0.236 -2.336 5.579 678 2HD2 LEU 86 2HD2 LEU 86 0.874 -2.809 7.154 679 3HD2 LEU 86 3HD2 LEU 86 1.242 -3.799 5.734 680 H VAL 87 H VAL 87 -2.480 -3.131 10.024 681 HA VAL 87 HA VAL 87 -1.050 -5.351 10.859 682 HB VAL 87 HB VAL 87 -2.447 -3.007 12.070 683 1HG1 VAL 87 2HG1 VAL 87 -1.756 -5.413 13.761 684 2HG1 VAL 87 3HG1 VAL 87 -1.850 -3.760 14.393 685 3HG1 VAL 87 1HG1 VAL 87 -3.271 -4.506 13.670 686 1HG2 VAL 87 3HG2 VAL 87 -0.062 -3.058 11.231 687 2HG2 VAL 87 1HG2 VAL 87 -0.277 -2.519 12.901 688 3HG2 VAL 87 2HG2 VAL 87 0.317 -4.166 12.564 689 H SER 88 H SER 88 -4.679 -4.844 11.110 690 HA SER 88 HA SER 88 -4.990 -7.288 12.666 691 1HB SER 88 1HB SER 88 -6.831 -5.380 11.259 692 2HB SER 88 2HB SER 88 -7.317 -7.070 11.160 693 HG SER 88 HG SER 88 -7.206 -7.308 13.382 694 H LEU 89 H LEU 89 -5.235 -6.387 9.169 695 HA LEU 89 HA LEU 89 -6.029 -8.980 8.350 696 1HB LEU 89 1HB LEU 89 -4.592 -6.790 6.792 697 2HB LEU 89 2HB LEU 89 -5.092 -8.325 6.119 698 HG LEU 89 HG LEU 89 -7.471 -7.805 6.940 699 1HD1 LEU 89 1HD1 LEU 89 -6.329 -4.983 6.908 700 2HD1 LEU 89 2HD1 LEU 89 -8.057 -5.393 6.867 701 3HD1 LEU 89 3HD1 LEU 89 -7.103 -5.816 8.278 702 1HD2 LEU 89 3HD2 LEU 89 -6.204 -6.287 4.618 703 2HD2 LEU 89 1HD2 LEU 89 -6.798 -7.968 4.591 704 3HD2 LEU 89 2HD2 LEU 89 -7.938 -6.644 4.815 705 H GLN 90 H GLN 90 -2.749 -7.672 9.037 706 HA GLN 90 HA GLN 90 -1.304 -10.062 8.254 707 1HB GLN 90 1HB GLN 90 -0.304 -7.945 8.387 708 2HB GLN 90 2HB GLN 90 -0.500 -7.938 10.140 709 1HG GLN 90 1HG GLN 90 1.654 -8.712 9.266 710 2HG GLN 90 2HG GLN 90 0.931 -9.820 10.424 711 1HE2 GLN 90 2HE2 GLN 90 2.027 -11.115 6.716 712 2HE2 GLN 90 1HE2 GLN 90 2.322 -9.454 7.095 713 H GLN 91 H GLN 91 -2.381 -8.889 11.623 714 HA GLN 91 HA GLN 91 -1.350 -11.083 12.904 715 1HB GLN 91 1HB GLN 91 -2.712 -8.565 13.406 716 2HB GLN 91 2HB GLN 91 -3.587 -9.773 14.280 717 1HG GLN 91 1HG GLN 91 -0.596 -9.338 14.485 718 2HG GLN 91 2HG GLN 91 -1.824 -8.588 15.464 719 1HE2 GLN 91 2HE2 GLN 91 -0.735 -12.558 16.063 720 2HE2 GLN 91 1HE2 GLN 91 -0.096 -11.599 14.744 721 H SER 92 H SER 92 -4.755 -10.349 12.031 722 HA SER 92 HA SER 92 -5.876 -12.908 12.812 723 1HB SER 92 1HB SER 92 -6.988 -10.557 12.620 724 2HB SER 92 2HB SER 92 -7.045 -10.864 10.884 725 HG SER 92 HG SER 92 -8.375 -12.677 11.316 726 H GLY 93 H GLY 93 -3.864 -11.839 10.210 727 1HA GLY 93 1HA GLY 93 -3.112 -12.876 8.389 728 2HA GLY 93 2HA GLY 93 -3.902 -14.340 8.977 729 H GLU 94 H GLU 94 -6.047 -11.510 8.346 730 HA GLU 94 HA GLU 94 -7.395 -12.991 6.280 731 1HB GLU 94 1HB GLU 94 -8.558 -11.358 7.680 732 2HB GLU 94 2HB GLU 94 -7.533 -10.057 7.048 733 1HG GLU 94 1HG GLU 94 -8.418 -10.406 4.778 734 2HG GLU 94 2HG GLU 94 -9.357 -11.801 5.331 735 H LEU 95 H LEU 95 -4.737 -10.732 6.409 736 HA LEU 95 HA LEU 95 -4.615 -9.575 3.912 737 1HB LEU 95 1HB LEU 95 -3.126 -9.105 5.873 738 2HB LEU 95 2HB LEU 95 -2.311 -10.635 5.616 739 HG LEU 95 HG LEU 95 -1.387 -9.795 3.514 740 1HD1 LEU 95 3HD1 LEU 95 -3.010 -7.268 4.072 741 2HD1 LEU 95 1HD1 LEU 95 -1.718 -7.398 2.860 742 3HD1 LEU 95 2HD1 LEU 95 -3.181 -8.359 2.677 743 1HD2 LEU 95 2HD2 LEU 95 -0.232 -9.332 5.640 744 2HD2 LEU 95 3HD2 LEU 95 0.036 -8.017 4.494 745 3HD2 LEU 95 1HD2 LEU 95 -1.124 -7.816 5.824 746 H LEU 96 H LEU 96 -3.612 -12.846 4.842 747 HA LEU 96 HA LEU 96 -2.206 -13.485 2.482 748 1HB LEU 96 1HB LEU 96 -2.389 -14.667 4.841 749 2HB LEU 96 2HB LEU 96 -3.827 -15.438 4.218 750 HG LEU 96 HG LEU 96 -1.965 -16.933 4.141 751 1HD1 LEU 96 2HD1 LEU 96 -3.542 -17.146 2.257 752 2HD1 LEU 96 3HD1 LEU 96 -2.493 -16.103 1.270 753 3HD1 LEU 96 1HD1 LEU 96 -1.898 -17.668 1.845 754 1HD2 LEU 96 3HD2 LEU 96 -0.159 -15.319 4.139 755 2HD2 LEU 96 1HD2 LEU 96 0.083 -16.511 2.852 756 3HD2 LEU 96 2HD2 LEU 96 -0.497 -14.876 2.457 757 H THR 97 H THR 97 -5.642 -14.217 3.322 758 HA THR 97 HA THR 97 -6.296 -15.202 0.695 759 HB THR 97 HB THR 97 -7.990 -14.024 2.954 760 HG1 THR 97 HG1 THR 97 -7.097 -15.840 3.689 761 1HG2 THR 97 2HG2 THR 97 -9.214 -14.036 0.764 762 2HG2 THR 97 3HG2 THR 97 -8.873 -15.778 0.624 763 3HG2 THR 97 1HG2 THR 97 -9.874 -15.143 1.961 764 H ARG 98 H ARG 98 -6.520 -11.941 2.265 765 HA ARG 98 HA ARG 98 -7.826 -10.716 0.094 766 1HB ARG 98 1HB ARG 98 -6.824 -9.863 2.583 767 2HB ARG 98 2HB ARG 98 -5.910 -8.896 1.430 768 1HG ARG 98 1HG ARG 98 -8.949 -9.186 1.519 769 2HG ARG 98 2HG ARG 98 -8.055 -7.848 2.228 770 1HD ARG 98 1HD ARG 98 -7.840 -6.755 0.269 771 2HD ARG 98 2HD ARG 98 -7.342 -8.194 -0.599 772 HE ARG 98 HE ARG 98 -10.146 -8.299 -0.002 773 1HH1 ARG 98 2HH2 ARG 98 -7.918 -6.622 -2.212 774 2HH1 ARG 98 1HH2 ARG 98 -9.033 -6.552 -3.526 775 1HH2 ARG 98 2HH1 ARG 98 -11.632 -8.126 -1.635 776 2HH2 ARG 98 1HH1 ARG 98 -11.325 -7.160 -3.061 777 H LEU 99 H LEU 99 -4.284 -11.282 0.563 778 HA LEU 99 HA LEU 99 -3.561 -10.009 -1.940 779 1HB LEU 99 1HB LEU 99 -2.381 -12.061 -0.041 780 2HB LEU 99 2HB LEU 99 -1.550 -11.662 -1.543 781 HG LEU 99 HG LEU 99 -2.259 -9.464 0.401 782 1HD1 LEU 99 2HD1 LEU 99 0.120 -11.354 0.514 783 2HD1 LEU 99 3HD1 LEU 99 -0.010 -9.810 1.412 784 3HD1 LEU 99 1HD1 LEU 99 -1.119 -11.151 1.739 785 1HD2 LEU 99 3HD2 LEU 99 -1.429 -8.985 -1.937 786 2HD2 LEU 99 1HD2 LEU 99 -0.304 -8.422 -0.673 787 3HD2 LEU 99 2HD2 LEU 99 0.027 -9.905 -1.583 788 H LYS 100 H LYS 100 -4.033 -13.529 -1.106 789 HA LYS 100 HA LYS 100 -3.748 -14.351 -3.797 790 1HB LYS 100 1HB LYS 100 -5.293 -15.499 -1.444 791 2HB LYS 100 2HB LYS 100 -5.379 -16.233 -3.031 792 1HG LYS 100 1HG LYS 100 -2.695 -15.910 -2.962 793 2HG LYS 100 2HG LYS 100 -2.983 -15.771 -1.246 794 1HD LYS 100 1HD LYS 100 -2.560 -18.004 -1.297 795 2HD LYS 100 2HD LYS 100 -4.284 -18.131 -1.657 796 1HE LYS 100 1HE LYS 100 -3.879 -18.517 -3.978 797 2HE LYS 100 2HE LYS 100 -2.295 -17.741 -3.915 798 1HZ LYS 100 3HZ LYS 100 -1.420 -19.595 -2.691 799 2HZ LYS 100 1HZ LYS 100 -2.860 -20.422 -2.813 800 3HZ LYS 100 2HZ LYS 100 -1.879 -20.014 -4.098 801 H GLN 101 H GLN 101 -6.529 -12.899 -2.389 802 HA GLN 101 HA GLN 101 -8.469 -13.131 -4.340 803 1HB GLN 101 1HB GLN 101 -8.337 -11.533 -2.225 804 2HB GLN 101 2HB GLN 101 -7.710 -10.378 -3.393 805 1HG GLN 101 1HG GLN 101 -9.926 -9.835 -3.333 806 2HG GLN 101 2HG GLN 101 -9.811 -10.815 -4.789 807 1HE2 GLN 101 2HE2 GLN 101 -12.834 -12.172 -3.331 808 2HE2 GLN 101 1HE2 GLN 101 -12.209 -10.869 -4.348 809 H ILE 102 H ILE 102 -5.422 -11.224 -4.627 810 HA ILE 102 HA ILE 102 -6.260 -10.241 -7.290 811 HB ILE 102 HB ILE 102 -4.684 -8.564 -7.017 812 1HG1 ILE 102 1HG1 ILE 102 -3.406 -9.155 -4.433 813 2HG1 ILE 102 2HG1 ILE 102 -3.146 -10.433 -5.546 814 1HG2 ILE 102 1HG2 ILE 102 -6.655 -8.357 -5.550 815 2HG2 ILE 102 2HG2 ILE 102 -5.736 -9.109 -4.213 816 3HG2 ILE 102 3HG2 ILE 102 -5.210 -7.570 -4.864 817 1HD1 ILE 102 3HD1 ILE 102 -2.542 -7.536 -6.185 818 2HD1 ILE 102 1HD1 ILE 102 -1.361 -8.753 -5.647 819 3HD1 ILE 102 2HD1 ILE 102 -2.179 -8.968 -7.197 820 H GLY 103 H GLY 103 -4.666 -12.944 -6.168 821 1HA GLY 103 1HA GLY 103 -3.279 -14.491 -7.126 822 2HA GLY 103 2HA GLY 103 -3.231 -13.558 -8.625 823 H ALA 104 H ALA 104 -1.897 -13.900 -5.426 824 HA ALA 104 HA ALA 104 0.670 -12.383 -6.023 825 1HB ALA 104 2HB ALA 104 -1.325 -12.347 -3.630 826 2HB ALA 104 3HB ALA 104 0.275 -11.616 -3.564 827 3HB ALA 104 1HB ALA 104 -0.973 -10.960 -4.665 828 H LEU 105 H LEU 105 -0.790 -14.426 -3.168 829 HA LEU 105 HA LEU 105 1.824 -15.473 -2.821 830 1HB LEU 105 1HB LEU 105 -0.864 -16.595 -2.020 831 2HB LEU 105 2HB LEU 105 0.649 -17.129 -1.486 832 HG LEU 105 HG LEU 105 -0.535 -15.943 0.233 833 1HD1 LEU 105 3HD1 LEU 105 1.876 -16.049 0.301 834 2HD1 LEU 105 1HD1 LEU 105 1.992 -14.528 -0.620 835 3HD1 LEU 105 2HD1 LEU 105 1.276 -14.535 1.012 836 1HD2 LEU 105 2HD2 LEU 105 -1.597 -14.142 -1.198 837 2HD2 LEU 105 3HD2 LEU 105 -0.842 -13.609 0.307 838 3HD2 LEU 105 1HD2 LEU 105 -0.007 -13.348 -1.239 839 H GLN 106 H GLN 106 2.468 -17.395 -3.332 840 HA GLN 106 HA GLN 106 1.713 -19.010 -5.581 841 1HB GLN 106 2HB GLN 106 3.950 -18.905 -4.460 842 2HB GLN 106 3HB GLN 106 3.214 -19.498 -2.973 843 1HG GLN 106 2HG GLN 106 2.552 -21.624 -4.276 844 2HG GLN 106 3HG GLN 106 3.536 -21.013 -5.612 845 1HE2 GLN 106 2HE2 GLN 106 5.366 -22.359 -2.164 846 2HE2 GLN 106 1HE2 GLN 106 3.665 -21.877 -2.117 No H/Q in entry = 846 Start of MODEL 18 1 1H ALA 2 2H ALA 2 -3.910 16.462 -6.443 2 2H ALA 2 3H ALA 2 -3.078 17.729 -7.091 3 3H ALA 2 1H ALA 2 -4.317 17.049 -7.937 4 HA ALA 2 HA ALA 2 -2.424 16.286 -8.953 5 1HB ALA 2 2HB ALA 2 -1.467 15.531 -6.167 6 2HB ALA 2 3HB ALA 2 -0.649 15.097 -7.673 7 3HB ALA 2 1HB ALA 2 -0.792 16.805 -7.219 8 H GLN 3 H GLN 3 -4.122 14.962 -9.863 9 HA GLN 3 HA GLN 3 -4.454 12.324 -8.485 10 1HB GLN 3 1HB GLN 3 -6.429 13.306 -10.524 11 2HB GLN 3 2HB GLN 3 -6.543 12.003 -9.385 12 1HG GLN 3 1HG GLN 3 -7.893 13.471 -8.341 13 2HG GLN 3 2HG GLN 3 -6.386 13.995 -7.591 14 1HE2 GLN 3 2HE2 GLN 3 -7.909 17.161 -8.643 15 2HE2 GLN 3 1HE2 GLN 3 -8.163 15.953 -7.406 16 H GLU 4 H GLU 4 -2.358 11.756 -9.459 17 HA GLU 4 HA GLU 4 -2.860 10.387 -11.984 18 1HB GLU 4 1HB GLU 4 -2.180 12.752 -12.680 19 2HB GLU 4 2HB GLU 4 -0.593 12.416 -11.993 20 1HG GLU 4 1HG GLU 4 -0.340 10.467 -13.506 21 2HG GLU 4 2HG GLU 4 -1.974 10.709 -14.126 22 H PHE 5 H PHE 5 0.033 11.510 -10.040 23 HA PHE 5 HA PHE 5 1.658 9.404 -10.575 24 1HB PHE 5 1HB PHE 5 2.362 11.328 -9.281 25 2HB PHE 5 2HB PHE 5 1.359 10.863 -7.919 26 HD1 PHE 5 2HD PHE 5 4.301 9.774 -9.988 27 HD2 PHE 5 1HD PHE 5 2.256 9.451 -6.201 28 HE1 PHE 5 2HE PHE 5 6.236 8.532 -9.037 29 HE2 PHE 5 1HE PHE 5 4.215 8.242 -5.259 30 HZ PHE 5 HZ PHE 5 6.183 7.764 -6.674 31 H VAL 6 H VAL 6 -0.655 9.466 -7.861 32 HA VAL 6 HA VAL 6 -0.099 6.793 -7.005 33 HB VAL 6 HB VAL 6 -2.469 8.642 -6.602 34 1HG1 VAL 6 2HG1 VAL 6 -2.079 5.893 -5.369 35 2HG1 VAL 6 3HG1 VAL 6 -3.258 7.098 -4.811 36 3HG1 VAL 6 1HG1 VAL 6 -3.409 6.398 -6.426 37 1HG2 VAL 6 1HG2 VAL 6 -0.331 9.248 -5.463 38 2HG2 VAL 6 2HG2 VAL 6 -1.611 8.819 -4.315 39 3HG2 VAL 6 3HG2 VAL 6 -0.321 7.671 -4.665 40 H ASN 7 H ASN 7 -2.511 8.081 -9.310 41 HA ASN 7 HA ASN 7 -4.029 5.649 -9.362 42 1HB ASN 7 1HB ASN 7 -4.719 8.089 -10.007 43 2HB ASN 7 2HB ASN 7 -4.089 7.673 -11.604 44 1HD2 ASN 7 2HD2 ASN 7 -7.801 6.893 -11.206 45 2HD2 ASN 7 1HD2 ASN 7 -6.767 8.316 -11.150 46 H CYS 8 H CYS 8 -1.624 7.133 -11.478 47 HA CYS 8 HA CYS 8 -1.395 4.909 -13.320 48 1HB CYS 8 1HB CYS 8 -1.133 7.522 -13.674 49 2HB CYS 8 2HB CYS 8 0.517 7.250 -13.082 50 HG CYS 8 HG CYS 8 0.969 5.255 -14.774 51 H LYS 9 H LYS 9 -0.476 4.943 -10.202 52 HA LYS 9 HA LYS 9 2.007 3.359 -10.757 53 1HB LYS 9 1HB LYS 9 1.125 4.918 -8.324 54 2HB LYS 9 2HB LYS 9 2.144 3.503 -8.129 55 1HG LYS 9 1HG LYS 9 2.927 5.674 -10.096 56 2HG LYS 9 2HG LYS 9 3.264 5.855 -8.378 57 1HD LYS 9 1HD LYS 9 4.538 3.744 -8.362 58 2HD LYS 9 2HD LYS 9 4.203 3.495 -10.078 59 1HE LYS 9 1HE LYS 9 5.592 5.985 -9.009 60 2HE LYS 9 2HE LYS 9 6.476 4.512 -9.411 61 1HZ LYS 9 2HZ LYS 9 4.752 5.908 -11.370 62 2HZ LYS 9 3HZ LYS 9 6.387 6.089 -11.286 63 3HZ LYS 9 1HZ LYS 9 5.750 4.643 -11.641 64 H ILE 10 H ILE 10 -1.326 3.324 -9.256 65 HA ILE 10 HA ILE 10 -1.029 0.671 -8.310 66 HB ILE 10 HB ILE 10 -3.464 2.187 -9.292 67 1HG1 ILE 10 1HG1 ILE 10 -2.915 1.747 -6.347 68 2HG1 ILE 10 2HG1 ILE 10 -1.917 2.926 -7.158 69 1HG2 ILE 10 1HG2 ILE 10 -3.281 -0.327 -7.564 70 2HG2 ILE 10 2HG2 ILE 10 -4.739 0.671 -7.800 71 3HG2 ILE 10 3HG2 ILE 10 -4.033 -0.175 -9.170 72 1HD1 ILE 10 3HD1 ILE 10 -4.936 2.973 -7.241 73 2HD1 ILE 10 1HD1 ILE 10 -3.875 4.012 -6.243 74 3HD1 ILE 10 2HD1 ILE 10 -3.833 4.118 -8.009 75 H GLN 11 H GLN 11 -1.574 -1.309 -9.245 76 HA GLN 11 HA GLN 11 -2.794 -1.294 -11.876 77 1HB GLN 11 1HB GLN 11 -0.343 -1.649 -12.211 78 2HB GLN 11 2HB GLN 11 -0.419 -3.077 -11.175 79 1HG GLN 11 1HG GLN 11 -1.822 -4.231 -12.783 80 2HG GLN 11 2HG GLN 11 -2.100 -2.757 -13.687 81 1HE2 GLN 11 2HE2 GLN 11 1.480 -4.723 -14.212 82 2HE2 GLN 11 1HE2 GLN 11 0.381 -5.258 -12.958 83 HA PRO 12 HA PRO 12 -5.178 -4.258 -9.325 84 1HB PRO 12 1HB PRO 12 -6.608 -5.504 -11.297 85 2HB PRO 12 2HB PRO 12 -7.024 -3.870 -10.693 86 1HG PRO 12 1HG PRO 12 -5.351 -4.599 -13.104 87 2HG PRO 12 2HG PRO 12 -6.713 -3.430 -13.043 88 1HD PRO 12 1HD PRO 12 -4.153 -2.636 -12.929 89 2HD PRO 12 2HD PRO 12 -5.383 -1.837 -11.909 90 H GLY 13 H GLY 13 -5.218 -6.679 -9.214 91 1HA GLY 13 1HA GLY 13 -3.953 -8.605 -9.014 92 2HA GLY 13 2HA GLY 13 -3.488 -8.362 -10.677 93 H LYS 14 H LYS 14 -2.594 -5.771 -8.501 94 HA LYS 14 HA LYS 14 0.050 -6.896 -7.895 95 1HB LYS 14 1HB LYS 14 -0.278 -5.008 -9.934 96 2HB LYS 14 2HB LYS 14 -0.024 -3.977 -8.523 97 1HG LYS 14 1HG LYS 14 1.951 -5.692 -8.081 98 2HG LYS 14 2HG LYS 14 1.810 -6.037 -9.791 99 1HD LYS 14 1HD LYS 14 2.228 -3.253 -8.586 100 2HD LYS 14 2HD LYS 14 3.537 -4.320 -9.044 101 1HE LYS 14 1HE LYS 14 1.711 -4.100 -11.284 102 2HE LYS 14 2HE LYS 14 2.094 -2.465 -10.675 103 1HZ LYS 14 2HZ LYS 14 4.103 -4.494 -11.376 104 2HZ LYS 14 3HZ LYS 14 3.690 -3.241 -12.345 105 3HZ LYS 14 1HZ LYS 14 4.401 -2.954 -10.879 106 H VAL 15 H VAL 15 0.970 -5.820 -5.875 107 HA VAL 15 HA VAL 15 -1.175 -4.572 -4.247 108 HB VAL 15 HB VAL 15 1.396 -5.944 -3.379 109 1HG1 VAL 15 3HG1 VAL 15 -1.042 -4.829 -1.995 110 2HG1 VAL 15 1HG1 VAL 15 0.027 -6.011 -1.188 111 3HG1 VAL 15 2HG1 VAL 15 0.653 -4.438 -1.704 112 1HG2 VAL 15 1HG2 VAL 15 -1.367 -7.152 -3.616 113 2HG2 VAL 15 2HG2 VAL 15 0.148 -7.660 -4.412 114 3HG2 VAL 15 3HG2 VAL 15 -0.009 -7.841 -2.685 115 H VAL 16 H VAL 16 -0.945 -2.330 -4.407 116 HA VAL 16 HA VAL 16 1.853 -1.324 -4.668 117 HB VAL 16 HB VAL 16 -0.698 -0.105 -5.768 118 1HG1 VAL 16 2HG1 VAL 16 1.065 1.541 -5.067 119 2HG1 VAL 16 3HG1 VAL 16 2.236 0.647 -6.045 120 3HG1 VAL 16 1HG1 VAL 16 0.870 1.481 -6.826 121 1HG2 VAL 16 3HG2 VAL 16 1.586 -1.744 -6.948 122 2HG2 VAL 16 1HG2 VAL 16 -0.151 -2.051 -7.087 123 3HG2 VAL 16 2HG2 VAL 16 0.606 -0.699 -7.964 124 H VAL 17 H VAL 17 2.617 -0.156 -3.031 125 HA VAL 17 HA VAL 17 0.650 0.696 -0.982 126 HB VAL 17 HB VAL 17 3.316 -0.705 -0.548 127 1HG1 VAL 17 2HG1 VAL 17 1.163 0.213 1.417 128 2HG1 VAL 17 3HG1 VAL 17 2.534 -0.856 1.827 129 3HG1 VAL 17 1HG1 VAL 17 2.821 0.798 1.311 130 1HG2 VAL 17 2HG2 VAL 17 0.441 -1.704 -0.473 131 2HG2 VAL 17 3HG2 VAL 17 1.786 -2.302 -1.441 132 3HG2 VAL 17 1HG2 VAL 17 1.788 -2.557 0.300 133 H PHE 18 H PHE 18 0.666 2.733 -0.634 134 HA PHE 18 HA PHE 18 2.842 4.355 -1.750 135 1HB PHE 18 1HB PHE 18 0.087 5.048 -0.639 136 2HB PHE 18 2HB PHE 18 1.220 6.248 -1.274 137 HD1 PHE 18 1HD PHE 18 -0.856 3.288 -2.234 138 HD2 PHE 18 2HD PHE 18 1.867 6.353 -3.573 139 HE1 PHE 18 1HE PHE 18 -1.360 2.712 -4.606 140 HE2 PHE 18 2HE PHE 18 1.354 5.790 -5.911 141 HZ PHE 18 HZ PHE 18 -0.298 4.045 -6.444 142 H ILE 19 H ILE 19 4.381 5.306 -0.490 143 HA ILE 19 HA ILE 19 4.157 5.230 2.453 144 HB ILE 19 HB ILE 19 6.379 4.035 2.520 145 1HG1 ILE 19 1HG1 ILE 19 6.321 2.816 -0.130 146 2HG1 ILE 19 2HG1 ILE 19 6.459 4.552 -0.289 147 1HG2 ILE 19 1HG2 ILE 19 4.359 2.776 2.866 148 2HG2 ILE 19 2HG2 ILE 19 4.249 2.437 1.119 149 3HG2 ILE 19 3HG2 ILE 19 5.602 1.805 2.072 150 1HD1 ILE 19 1HD1 ILE 19 8.404 4.577 1.253 151 2HD1 ILE 19 2HD1 ILE 19 8.303 2.800 1.363 152 3HD1 ILE 19 3HD1 ILE 19 8.677 3.587 -0.186 153 H LYS 20 H LYS 20 6.561 5.861 3.266 154 HA LYS 20 HA LYS 20 7.828 7.971 1.713 155 1HB LYS 20 1HB LYS 20 7.750 9.103 4.246 156 2HB LYS 20 2HB LYS 20 6.911 9.652 2.808 157 1HG LYS 20 1HG LYS 20 4.879 8.343 3.506 158 2HG LYS 20 2HG LYS 20 5.725 7.907 4.985 159 1HD LYS 20 1HD LYS 20 4.355 9.750 5.548 160 2HD LYS 20 2HD LYS 20 5.970 10.456 5.398 161 1HE LYS 20 1HE LYS 20 5.457 11.210 3.101 162 2HE LYS 20 2HE LYS 20 3.900 10.368 3.145 163 1HZ LYS 20 1HZ LYS 20 3.229 11.883 4.928 164 2HZ LYS 20 2HZ LYS 20 4.663 12.651 4.839 165 3HZ LYS 20 3HZ LYS 20 3.645 12.722 3.543 166 HA PRO 21 HA PRO 21 11.172 5.797 3.152 167 1HB PRO 21 1HB PRO 21 13.268 7.543 3.281 168 2HB PRO 21 2HB PRO 21 12.391 7.220 1.755 169 1HG PRO 21 1HG PRO 21 12.002 9.544 3.669 170 2HG PRO 21 2HG PRO 21 12.164 9.588 1.886 171 1HD PRO 21 1HD PRO 21 9.715 9.585 3.163 172 2HD PRO 21 2HD PRO 21 9.984 8.851 1.572 173 H THR 22 H THR 22 10.198 8.385 5.287 174 HA THR 22 HA THR 22 11.874 7.499 7.550 175 HB THR 22 HB THR 22 11.682 10.054 8.016 176 HG1 THR 22 HG1 THR 22 11.569 11.182 5.937 177 1HG2 THR 22 3HG2 THR 22 13.740 8.845 7.312 178 2HG2 THR 22 1HG2 THR 22 13.306 9.114 5.614 179 3HG2 THR 22 2HG2 THR 22 13.656 10.489 6.684 180 H CYS 23 H CSN 23 9.141 6.578 6.895 181 HA CYS 23 HA CSN 23 7.656 7.616 9.243 182 1HB CYS 23 2HB CSN 23 6.755 7.864 6.853 183 2HB CYS 23 3HB CSN 23 6.608 6.128 6.838 184 HA PRO 24 HA PRO 24 8.996 3.487 10.598 185 1HB PRO 24 1HB PRO 24 8.027 3.543 13.157 186 2HB PRO 24 2HB PRO 24 9.516 4.404 12.657 187 1HG PRO 24 1HG PRO 24 6.715 5.528 12.934 188 2HG PRO 24 2HG PRO 24 8.252 6.212 13.556 189 1HD PRO 24 1HD PRO 24 7.091 7.038 11.221 190 2HD PRO 24 2HD PRO 24 8.870 6.979 11.401 191 H TYR 25 H TYR 25 5.755 4.865 10.382 192 HA TYR 25 HA TYR 25 4.326 2.384 10.902 193 1HB TYR 25 1HB TYR 25 3.544 4.863 9.287 194 2HB TYR 25 2HB TYR 25 2.467 3.569 9.776 195 HD1 TYR 25 1HD TYR 25 2.272 3.088 12.402 196 HD2 TYR 25 2HD TYR 25 3.738 6.757 10.637 197 HE1 TYR 25 1HE TYR 25 1.677 4.327 14.454 198 HE2 TYR 25 2HE TYR 25 3.188 7.981 12.682 199 HH TYR 25 HH TYR 25 2.171 7.889 14.707 200 H CYS 26 H CYS 26 5.732 4.104 8.053 201 HA CYS 26 HA CYS 26 4.720 2.220 6.100 202 1HB CYS 26 1HB CYS 26 7.079 4.181 6.010 203 2HB CYS 26 2HB CYS 26 6.571 3.152 4.690 204 HG CYS 26 HG CYS 26 4.876 5.541 6.241 205 H ARG 27 H ARG 27 7.885 2.586 7.793 206 HA ARG 27 HA ARG 27 9.118 0.217 6.947 207 1HB ARG 27 1HB ARG 27 10.124 1.998 8.437 208 2HB ARG 27 2HB ARG 27 9.273 1.242 9.799 209 1HG ARG 27 1HG ARG 27 10.402 -0.958 9.106 210 2HG ARG 27 2HG ARG 27 11.394 -0.015 7.999 211 1HD ARG 27 1HD ARG 27 11.207 0.462 11.002 212 2HD ARG 27 2HD ARG 27 12.457 -0.521 10.229 213 HE ARG 27 HE ARG 27 13.047 1.540 8.899 214 1HH1 ARG 27 2HH2 ARG 27 11.812 1.888 12.244 215 2HH1 ARG 27 1HH2 ARG 27 12.578 3.418 12.461 216 1HH2 ARG 27 2HH1 ARG 27 14.055 3.425 9.235 217 2HH2 ARG 27 1HH1 ARG 27 13.930 4.316 10.740 218 H ARG 28 H ARG 28 6.803 0.477 9.728 219 HA ARG 28 HA ARG 28 6.739 -2.263 10.396 220 1HB ARG 28 1HB ARG 28 5.456 -0.568 11.660 221 2HB ARG 28 2HB ARG 28 4.410 -0.289 10.313 222 1HG ARG 28 1HG ARG 28 3.004 -1.877 11.011 223 2HG ARG 28 2HG ARG 28 4.184 -3.089 10.642 224 1HD ARG 28 1HD ARG 28 4.217 -1.655 13.321 225 2HD ARG 28 2HD ARG 28 3.223 -3.066 12.935 226 HE ARG 28 HE ARG 28 6.204 -3.133 12.665 227 1HH1 ARG 28 2HH2 ARG 28 3.354 -4.255 14.430 228 2HH1 ARG 28 1HH2 ARG 28 4.035 -5.788 14.857 229 1HH2 ARG 28 2HH1 ARG 28 7.092 -5.245 13.069 230 2HH2 ARG 28 1HH1 ARG 28 6.270 -6.290 14.174 231 H ALA 29 H ALA 29 4.535 -0.567 8.195 232 HA ALA 29 HA ALA 29 3.201 -2.881 7.287 233 1HB ALA 29 2HB ALA 29 3.720 -0.323 5.720 234 2HB ALA 29 3HB ALA 29 2.572 -1.587 5.247 235 3HB ALA 29 1HB ALA 29 2.306 -0.703 6.761 236 H GLN 30 H GLN 30 6.262 -1.492 6.026 237 HA GLN 30 HA GLN 30 6.519 -3.350 3.887 238 1HB GLN 30 1HB GLN 30 8.303 -1.407 5.350 239 2HB GLN 30 2HB GLN 30 9.064 -2.642 4.348 240 1HG GLN 30 1HG GLN 30 8.312 -1.729 2.398 241 2HG GLN 30 2HG GLN 30 6.716 -1.481 3.052 242 1HE2 GLN 30 2HE2 GLN 30 9.427 1.631 3.112 243 2HE2 GLN 30 1HE2 GLN 30 9.924 0.006 2.596 244 H GLU 31 H GLU 31 7.769 -3.640 7.285 245 HA GLU 31 HA GLU 31 8.908 -6.197 6.445 246 1HB GLU 31 1HB GLU 31 9.546 -6.482 8.825 247 2HB GLU 31 2HB GLU 31 9.917 -4.840 8.283 248 1HG GLU 31 1HG GLU 31 7.937 -3.960 9.386 249 2HG GLU 31 2HG GLU 31 7.424 -5.578 9.871 250 H ILE 32 H ILE 32 5.975 -5.179 7.914 251 HA ILE 32 HA ILE 32 4.795 -7.701 8.600 252 HB ILE 32 HB ILE 32 3.829 -4.953 7.845 253 1HG1 ILE 32 1HG1 ILE 32 3.649 -6.797 10.267 254 2HG1 ILE 32 2HG1 ILE 32 4.523 -5.292 10.138 255 1HG2 ILE 32 2HG2 ILE 32 1.913 -7.256 8.131 256 2HG2 ILE 32 3HG2 ILE 32 1.500 -5.516 8.093 257 3HG2 ILE 32 1HG2 ILE 32 2.197 -6.245 6.677 258 1HD1 ILE 32 1HD1 ILE 32 2.229 -4.133 9.964 259 2HD1 ILE 32 2HD1 ILE 32 1.515 -5.705 10.392 260 3HD1 ILE 32 3HD1 ILE 32 2.610 -4.906 11.522 261 H LEU 33 H LEU 33 4.736 -5.762 5.583 262 HA LEU 33 HA LEU 33 3.162 -7.762 4.256 263 1HB LEU 33 1HB LEU 33 4.589 -5.241 3.298 264 2HB LEU 33 2HB LEU 33 3.838 -6.329 2.163 265 HG LEU 33 HG LEU 33 2.213 -4.920 4.358 266 1HD1 LEU 33 1HD1 LEU 33 2.774 -4.250 1.485 267 2HD1 LEU 33 2HD1 LEU 33 1.484 -3.541 2.463 268 3HD1 LEU 33 3HD1 LEU 33 3.177 -3.287 2.917 269 1HD2 LEU 33 1HD2 LEU 33 1.450 -6.517 1.868 270 2HD2 LEU 33 2HD2 LEU 33 1.164 -6.983 3.551 271 3HD2 LEU 33 3HD2 LEU 33 0.332 -5.579 2.875 272 H SER 34 H SER 34 6.574 -6.509 3.868 273 HA SER 34 HA SER 34 6.968 -7.922 1.473 274 1HB SER 34 1HB SER 34 8.158 -5.864 2.233 275 2HB SER 34 2HB SER 34 9.092 -6.850 3.371 276 HG SER 34 HG SER 34 9.002 -7.193 0.541 277 H GLN 35 H GLN 35 7.308 -9.167 4.746 278 HA GLN 35 HA GLN 35 9.256 -11.162 4.033 279 1HB GLN 35 1HB GLN 35 7.336 -10.861 6.354 280 2HB GLN 35 2HB GLN 35 8.393 -12.263 6.222 281 1HG GLN 35 1HG GLN 35 9.500 -9.430 6.171 282 2HG GLN 35 2HG GLN 35 9.186 -10.307 7.666 283 1HE2 GLN 35 2HE2 GLN 35 12.537 -11.436 7.507 284 2HE2 GLN 35 1HE2 GLN 35 11.316 -10.640 8.419 285 H LEU 36 H LEU 36 5.789 -10.984 3.449 286 HA LEU 36 HA LEU 36 5.327 -13.824 3.629 287 1HB LEU 36 1HB LEU 36 3.752 -11.554 2.343 288 2HB LEU 36 2HB LEU 36 3.156 -13.198 2.509 289 HG LEU 36 HG LEU 36 3.892 -11.338 4.819 290 1HD1 LEU 36 3HD1 LEU 36 1.191 -12.294 3.784 291 2HD1 LEU 36 1HD1 LEU 36 1.466 -11.333 5.256 292 3HD1 LEU 36 2HD1 LEU 36 1.863 -10.644 3.676 293 1HD2 LEU 36 1HD2 LEU 36 2.734 -14.163 4.839 294 2HD2 LEU 36 2HD2 LEU 36 4.283 -13.629 5.541 295 3HD2 LEU 36 3HD2 LEU 36 2.769 -13.072 6.245 296 HA PRO 37 HA PRO 37 6.687 -14.925 -0.504 297 1HB PRO 37 1HB PRO 37 5.243 -17.187 -0.994 298 2HB PRO 37 2HB PRO 37 6.576 -17.131 0.198 299 1HG PRO 37 1HG PRO 37 3.598 -16.939 0.722 300 2HG PRO 37 2HG PRO 37 4.823 -17.906 1.597 301 1HD PRO 37 1HD PRO 37 3.933 -15.454 2.474 302 2HD PRO 37 2HD PRO 37 5.597 -16.032 2.776 303 H ILE 38 H ILE 38 6.015 -13.440 -2.097 304 HA ILE 38 HA ILE 38 3.144 -13.487 -2.893 305 HB ILE 38 HB ILE 38 5.012 -11.196 -2.039 306 1HG1 ILE 38 1HG1 ILE 38 2.001 -11.232 -1.580 307 2HG1 ILE 38 2HG1 ILE 38 3.017 -12.312 -0.625 308 1HG2 ILE 38 3HG2 ILE 38 2.616 -10.783 -3.904 309 2HG2 ILE 38 1HG2 ILE 38 3.431 -9.487 -3.031 310 3HG2 ILE 38 2HG2 ILE 38 4.317 -10.384 -4.231 311 1HD1 ILE 38 2HD1 ILE 38 3.517 -9.326 -0.819 312 2HD1 ILE 38 3HD1 ILE 38 2.647 -10.121 0.505 313 3HD1 ILE 38 1HD1 ILE 38 4.350 -10.488 0.223 314 H LYS 39 H LYS 39 2.859 -13.234 -5.076 315 HA LYS 39 HA LYS 39 4.619 -14.332 -6.701 316 1HB LYS 39 1HB LYS 39 2.122 -12.874 -7.060 317 2HB LYS 39 2HB LYS 39 3.106 -12.858 -8.504 318 1HG LYS 39 1HG LYS 39 2.636 -15.457 -6.991 319 2HG LYS 39 2HG LYS 39 1.398 -14.819 -8.045 320 1HD LYS 39 1HD LYS 39 4.226 -15.519 -8.907 321 2HD LYS 39 2HD LYS 39 2.772 -16.512 -9.124 322 1HE LYS 39 1HE LYS 39 1.733 -14.662 -10.464 323 2HE LYS 39 2HE LYS 39 3.262 -13.784 -10.379 324 1HZ LYS 39 2HZ LYS 39 4.296 -15.744 -11.453 325 2HZ LYS 39 3HZ LYS 39 2.791 -16.376 -11.693 326 3HZ LYS 39 1HZ LYS 39 3.213 -14.928 -12.377 327 H GLN 40 H GLN 40 5.845 -13.576 -8.539 328 HA GLN 40 HA GLN 40 7.958 -12.102 -8.013 329 1HB GLN 40 1HB GLN 40 7.479 -13.570 -10.006 330 2HB GLN 40 2HB GLN 40 6.722 -12.190 -10.795 331 1HG GLN 40 1HG GLN 40 9.627 -12.356 -9.862 332 2HG GLN 40 2HG GLN 40 9.071 -12.606 -11.518 333 1HE2 GLN 40 2HE2 GLN 40 8.651 -9.095 -12.152 334 2HE2 GLN 40 1HE2 GLN 40 8.320 -10.685 -12.798 335 H GLY 41 H GLY 41 7.715 -10.163 -6.864 336 1HA GLY 41 1HA GLY 41 8.054 -7.895 -6.889 337 2HA GLY 41 2HA GLY 41 7.839 -7.906 -8.635 338 H LEU 42 H LEU 42 5.109 -9.282 -6.719 339 HA LEU 42 HA LEU 42 3.448 -7.244 -7.847 340 1HB LEU 42 1HB LEU 42 2.818 -9.219 -5.641 341 2HB LEU 42 2HB LEU 42 1.707 -8.178 -6.465 342 HG LEU 42 HG LEU 42 2.984 -10.683 -7.456 343 1HD1 LEU 42 2HD1 LEU 42 0.746 -10.522 -6.291 344 2HD1 LEU 42 3HD1 LEU 42 0.177 -9.569 -7.661 345 3HD1 LEU 42 1HD1 LEU 42 0.671 -11.247 -7.922 346 1HD2 LEU 42 1HD2 LEU 42 1.781 -8.549 -9.224 347 2HD2 LEU 42 2HD2 LEU 42 3.431 -9.221 -9.318 348 3HD2 LEU 42 3HD2 LEU 42 2.044 -10.248 -9.707 349 H LEU 43 H LEU 43 5.273 -7.471 -4.802 350 HA LEU 43 HA LEU 43 3.456 -5.488 -3.563 351 1HB LEU 43 1HB LEU 43 4.717 -7.466 -2.275 352 2HB LEU 43 2HB LEU 43 5.986 -6.262 -2.215 353 HG LEU 43 HG LEU 43 4.896 -5.811 -0.248 354 1HD1 LEU 43 3HD1 LEU 43 4.851 -3.718 -1.638 355 2HD1 LEU 43 1HD1 LEU 43 3.145 -4.052 -2.011 356 3HD1 LEU 43 2HD1 LEU 43 3.678 -3.759 -0.353 357 1HD2 LEU 43 2HD2 LEU 43 2.403 -6.789 -1.600 358 2HD2 LEU 43 3HD2 LEU 43 3.149 -7.275 -0.074 359 3HD2 LEU 43 1HD2 LEU 43 2.260 -5.754 -0.162 360 H GLU 44 H GLU 44 3.675 -3.533 -4.536 361 HA GLU 44 HA GLU 44 6.384 -2.607 -5.335 362 1HB GLU 44 1HB GLU 44 4.422 -3.257 -6.951 363 2HB GLU 44 2HB GLU 44 3.801 -1.653 -6.539 364 1HG GLU 44 1HG GLU 44 5.827 -0.615 -7.340 365 2HG GLU 44 2HG GLU 44 6.671 -2.151 -7.433 366 H PHE 45 H PHE 45 7.118 -1.354 -3.682 367 HA PHE 45 HA PHE 45 5.287 0.330 -2.142 368 1HB PHE 45 1HB PHE 45 8.309 0.030 -1.950 369 2HB PHE 45 2HB PHE 45 7.273 0.862 -0.814 370 HD1 PHE 45 1HD PHE 45 5.439 -0.476 0.403 371 HD2 PHE 45 2HD PHE 45 8.706 -2.339 -1.706 372 HE1 PHE 45 1HE PHE 45 5.031 -2.598 1.626 373 HE2 PHE 45 2HE PHE 45 8.318 -4.439 -0.456 374 HZ PHE 45 HZ PHE 45 6.489 -4.576 1.214 375 H VAL 46 H VAL 46 4.988 2.487 -2.504 376 HA VAL 46 HA VAL 46 6.475 3.788 -4.723 377 HB VAL 46 HB VAL 46 3.498 3.741 -4.098 378 1HG1 VAL 46 3HG1 VAL 46 5.110 5.166 -6.257 379 2HG1 VAL 46 1HG1 VAL 46 3.351 4.964 -6.279 380 3HG1 VAL 46 2HG1 VAL 46 4.111 5.909 -4.992 381 1HG2 VAL 46 3HG2 VAL 46 5.171 2.485 -6.315 382 2HG2 VAL 46 1HG2 VAL 46 4.180 1.654 -5.102 383 3HG2 VAL 46 2HG2 VAL 46 3.396 2.624 -6.346 384 H ASP 47 H ASP 47 7.745 5.202 -3.680 385 HA ASP 47 HA ASP 47 6.930 6.449 -1.202 386 1HB ASP 47 1HB ASP 47 9.251 5.695 -1.834 387 2HB ASP 47 2HB ASP 47 9.353 7.122 -2.873 388 H ILE 48 H ILE 48 5.739 8.235 -1.005 389 HA ILE 48 HA ILE 48 5.144 9.862 -3.386 390 HB ILE 48 HB ILE 48 3.456 10.937 -2.004 391 1HG1 ILE 48 1HG1 ILE 48 3.989 9.011 0.271 392 2HG1 ILE 48 2HG1 ILE 48 4.696 10.625 0.244 393 1HG2 ILE 48 1HG2 ILE 48 2.988 8.822 -3.268 394 2HG2 ILE 48 2HG2 ILE 48 3.394 7.865 -1.832 395 3HG2 ILE 48 3HG2 ILE 48 1.978 8.924 -1.818 396 1HD1 ILE 48 2HD1 ILE 48 2.377 11.574 0.013 397 2HD1 ILE 48 3HD1 ILE 48 1.730 9.932 0.200 398 3HD1 ILE 48 1HD1 ILE 48 2.641 10.679 1.518 399 H THR 49 H THR 49 7.554 10.109 -0.994 400 HA THR 49 HA THR 49 7.702 13.053 -1.399 401 HB THR 49 HB THR 49 6.978 12.355 0.876 402 HG1 THR 49 HG1 THR 49 8.985 14.065 0.273 403 1HG2 THR 49 2HG2 THR 49 8.303 10.327 1.149 404 2HG2 THR 49 3HG2 THR 49 9.792 11.298 1.209 405 3HG2 THR 49 1HG2 THR 49 8.548 11.482 2.468 406 H ALA 50 H ALA 50 8.818 10.379 -2.614 407 HA ALA 50 HA ALA 50 11.624 11.024 -2.965 408 1HB ALA 50 1HB ALA 50 9.645 9.325 -4.552 409 2HB ALA 50 2HB ALA 50 11.378 9.448 -4.897 410 3HB ALA 50 3HB ALA 50 10.845 8.743 -3.367 411 H THR 51 H THR 51 10.871 13.287 -2.996 412 HA THR 51 HA THR 51 10.977 15.295 -4.032 413 HB THR 51 HB THR 51 12.466 13.598 -5.592 414 HG1 THR 51 HG1 THR 51 12.632 16.238 -6.267 415 1HG2 THR 51 2HG2 THR 51 10.743 13.691 -7.363 416 2HG2 THR 51 3HG2 THR 51 10.896 15.470 -7.390 417 3HG2 THR 51 1HG2 THR 51 12.286 14.448 -7.828 418 H ASN 52 H ASN 52 8.599 13.045 -5.058 419 HA ASN 52 HA ASN 52 6.977 14.865 -6.570 420 1HB ASN 52 1HB ASN 52 6.914 12.178 -6.236 421 2HB ASN 52 2HB ASN 52 5.648 12.633 -5.092 422 1HD2 ASN 52 2HD2 ASN 52 4.815 12.602 -9.028 423 2HD2 ASN 52 1HD2 ASN 52 6.094 11.716 -8.239 424 H HIS 53 H HIS 53 4.634 15.339 -5.673 425 HA HIS 53 HA HIS 53 5.080 16.967 -3.255 426 1HB HIS 53 1HB HIS 53 4.432 18.067 -5.400 427 2HB HIS 53 2HB HIS 53 2.869 17.253 -5.291 428 HD1 HIS 53 1HD HIS 53 4.192 18.507 -1.917 429 HD2 HIS 53 2HD HIS 53 1.929 19.851 -5.219 430 HE1 HIS 53 1HE HIS 53 2.729 20.414 -1.080 431 H THR 54 H THR 54 5.029 14.886 -2.244 432 HA THR 54 HA THR 54 3.116 13.204 -1.509 433 HB THR 54 HB THR 54 4.771 12.840 -0.124 434 HG1 THR 54 HG1 THR 54 3.884 14.617 1.818 435 1HG2 THR 54 2HG2 THR 54 5.191 15.770 0.233 436 2HG2 THR 54 3HG2 THR 54 6.132 14.527 1.072 437 3HG2 THR 54 1HG2 THR 54 6.193 14.626 -0.695 438 H ASN 55 H ASN 55 3.171 16.256 0.239 439 HA ASN 55 HA ASN 55 0.746 16.144 1.436 440 1HB ASN 55 1HB ASN 55 2.346 17.997 1.757 441 2HB ASN 55 2HB ASN 55 1.761 18.753 0.261 442 1HD2 ASN 55 2HD2 ASN 55 -1.026 20.185 1.952 443 2HD2 ASN 55 1HD2 ASN 55 0.017 20.222 0.551 444 H GLU 56 H GLU 56 0.993 17.012 -2.053 445 HA GLU 56 HA GLU 56 -1.864 17.599 -2.284 446 1HB GLU 56 1HB GLU 56 0.591 17.852 -3.835 447 2HB GLU 56 2HB GLU 56 -0.600 17.041 -4.794 448 1HG GLU 56 1HG GLU 56 -1.536 19.491 -3.326 449 2HG GLU 56 2HG GLU 56 -0.369 19.716 -4.616 450 H ILE 57 H ILE 57 0.370 14.931 -3.044 451 HA ILE 57 HA ILE 57 -1.525 13.138 -4.228 452 HB ILE 57 HB ILE 57 1.210 12.983 -2.948 453 1HG1 ILE 57 1HG1 ILE 57 0.288 11.893 -5.625 454 2HG1 ILE 57 2HG1 ILE 57 0.640 13.609 -5.403 455 1HG2 ILE 57 3HG2 ILE 57 -0.541 10.582 -3.476 456 2HG2 ILE 57 1HG2 ILE 57 1.224 10.474 -3.485 457 3HG2 ILE 57 2HG2 ILE 57 0.381 10.975 -2.019 458 1HD1 ILE 57 1HD1 ILE 57 2.669 11.406 -4.815 459 2HD1 ILE 57 2HD1 ILE 57 2.575 12.359 -6.297 460 3HD1 ILE 57 3HD1 ILE 57 2.930 13.158 -4.750 461 H GLN 58 H GLN 58 -0.624 13.808 -0.898 462 HA GLN 58 HA GLN 58 -1.828 11.666 0.487 463 1HB GLN 58 1HB GLN 58 -0.962 14.541 1.066 464 2HB GLN 58 2HB GLN 58 -1.953 13.708 2.237 465 1HG GLN 58 1HG GLN 58 0.732 12.705 1.269 466 2HG GLN 58 2HG GLN 58 0.456 13.575 2.771 467 1HE2 GLN 58 2HE2 GLN 58 -1.337 10.771 4.207 468 2HE2 GLN 58 1HE2 GLN 58 -1.100 12.529 4.363 469 H ASP 59 H ASP 59 -2.987 14.954 -0.356 470 HA ASP 59 HA ASP 59 -5.596 14.805 0.736 471 1HB ASP 59 1HB ASP 59 -4.120 16.720 -0.441 472 2HB ASP 59 2HB ASP 59 -5.045 16.284 -1.842 473 H TYR 60 H TYR 60 -4.330 14.123 -2.451 474 HA TYR 60 HA TYR 60 -6.781 13.150 -3.578 475 1HB TYR 60 1HB TYR 60 -4.991 13.698 -5.080 476 2HB TYR 60 2HB TYR 60 -3.958 12.443 -4.410 477 HD1 TYR 60 2HD TYR 60 -7.564 12.497 -5.597 478 HD2 TYR 60 1HD TYR 60 -3.649 10.732 -5.971 479 HE1 TYR 60 2HE TYR 60 -8.472 10.887 -7.198 480 HE2 TYR 60 1HE TYR 60 -4.567 9.084 -7.616 481 HH TYR 60 HH TYR 60 -8.038 8.973 -8.476 482 H LEU 61 H LEU 61 -4.333 11.315 -1.662 483 HA LEU 61 HA LEU 61 -5.582 8.731 -1.930 484 1HB LEU 61 1HB LEU 61 -4.259 9.859 0.581 485 2HB LEU 61 2HB LEU 61 -4.720 8.204 0.315 486 HG LEU 61 HG LEU 61 -2.461 9.739 -1.010 487 1HD1 LEU 61 1HD1 LEU 61 -2.537 7.226 0.725 488 2HD1 LEU 61 2HD1 LEU 61 -1.082 7.979 0.027 489 3HD1 LEU 61 3HD1 LEU 61 -2.027 8.841 1.238 490 1HD2 LEU 61 3HD2 LEU 61 -3.623 7.042 -1.693 491 2HD2 LEU 61 1HD2 LEU 61 -3.412 8.429 -2.770 492 3HD2 LEU 61 2HD2 LEU 61 -1.986 7.548 -2.185 493 H GLN 62 H GLN 62 -6.222 11.445 0.294 494 HA GLN 62 HA GLN 62 -8.264 10.254 1.808 495 1HB GLN 62 1HB GLN 62 -7.065 12.712 1.847 496 2HB GLN 62 2HB GLN 62 -8.568 13.152 1.061 497 1HG GLN 62 1HG GLN 62 -9.812 11.940 2.900 498 2HG GLN 62 2HG GLN 62 -8.275 11.793 3.767 499 1HE2 GLN 62 2HE2 GLN 62 -10.419 14.944 4.440 500 2HE2 GLN 62 1HE2 GLN 62 -10.698 13.212 4.536 501 H GLN 63 H GLN 63 -8.502 12.136 -1.253 502 HA GLN 63 HA GLN 63 -11.334 11.935 -1.409 503 1HB GLN 63 1HB GLN 63 -9.120 13.146 -2.867 504 2HB GLN 63 2HB GLN 63 -10.089 12.237 -4.001 505 1HG GLN 63 1HG GLN 63 -11.036 14.389 -3.975 506 2HG GLN 63 2HG GLN 63 -12.143 13.420 -3.010 507 1HE2 GLN 63 2HE2 GLN 63 -10.415 16.721 -1.410 508 2HE2 GLN 63 1HE2 GLN 63 -10.539 16.351 -3.115 509 H LEU 64 H LEU 64 -8.691 9.956 -2.754 510 HA LEU 64 HA LEU 64 -10.396 8.521 -4.563 511 1HB LEU 64 1HB LEU 64 -8.159 8.813 -5.229 512 2HB LEU 64 2HB LEU 64 -7.549 8.367 -3.645 513 HG LEU 64 HG LEU 64 -8.079 5.977 -4.051 514 1HD1 LEU 64 1HD1 LEU 64 -8.571 6.998 -6.912 515 2HD1 LEU 64 2HD1 LEU 64 -8.448 5.298 -6.426 516 3HD1 LEU 64 3HD1 LEU 64 -9.797 6.275 -5.861 517 1HD2 LEU 64 3HD2 LEU 64 -5.810 7.033 -4.478 518 2HD2 LEU 64 1HD2 LEU 64 -6.156 5.617 -5.525 519 3HD2 LEU 64 2HD2 LEU 64 -6.286 7.267 -6.154 520 H THR 65 H THR 65 -9.469 7.925 -1.168 521 HA THR 65 HA THR 65 -11.061 5.395 -1.278 522 HB THR 65 HB THR 65 -9.713 4.550 0.525 523 HG1 THR 65 HG1 THR 65 -8.215 5.613 1.533 524 1HG2 THR 65 3HG2 THR 65 -8.900 4.233 -1.789 525 2HG2 THR 65 1HG2 THR 65 -7.897 5.697 -1.611 526 3HG2 THR 65 2HG2 THR 65 -7.576 4.275 -0.591 527 H GLY 66 H GLY 66 -9.987 7.811 1.065 528 1HA GLY 66 1HA GLY 66 -12.131 9.059 2.056 529 2HA GLY 66 2HA GLY 66 -12.385 7.435 2.723 530 H ALA 67 H ALA 67 -9.025 7.636 2.552 531 HA ALA 67 HA ALA 67 -8.692 9.236 5.009 532 1HB ALA 67 1HB ALA 67 -7.886 6.316 4.715 533 2HB ALA 67 2HB ALA 67 -7.305 7.401 5.986 534 3HB ALA 67 3HB ALA 67 -9.025 7.001 5.909 535 H ARG 68 H ARG 68 -6.670 10.062 5.183 536 HA ARG 68 HA ARG 68 -5.056 9.924 2.664 537 1HB ARG 68 1HB ARG 68 -4.152 12.008 3.135 538 2HB ARG 68 2HB ARG 68 -5.871 12.141 3.491 539 1HG ARG 68 1HG ARG 68 -5.233 11.837 5.965 540 2HG ARG 68 2HG ARG 68 -3.543 12.028 5.427 541 1HD ARG 68 1HD ARG 68 -4.296 14.167 4.234 542 2HD ARG 68 2HD ARG 68 -5.846 13.998 5.080 543 HE ARG 68 HE ARG 68 -3.585 13.859 6.874 544 1HH1 ARG 68 2HH2 ARG 68 -5.579 16.209 5.051 545 2HH1 ARG 68 1HH2 ARG 68 -5.353 17.479 6.210 546 1HH2 ARG 68 2HH1 ARG 68 -3.014 15.627 8.166 547 2HH2 ARG 68 1HH1 ARG 68 -3.970 17.081 8.110 548 H THR 69 H THR 69 -4.925 8.696 5.934 549 HA THR 69 HA THR 69 -2.227 9.151 6.441 550 HB THR 69 HB THR 69 -2.803 6.894 7.871 551 HG1 THR 69 HG1 THR 69 -4.914 6.563 7.119 552 1HG2 THR 69 3HG2 THR 69 -2.197 9.129 8.748 553 2HG2 THR 69 1HG2 THR 69 -3.837 9.725 8.397 554 3HG2 THR 69 2HG2 THR 69 -3.579 8.470 9.623 555 H VAL 70 H VAL 70 -0.380 8.015 6.182 556 HA VAL 70 HA VAL 70 -0.380 5.758 4.317 557 HB VAL 70 HB VAL 70 2.186 6.487 4.263 558 1HG1 VAL 70 2HG1 VAL 70 0.687 6.342 2.344 559 2HG1 VAL 70 3HG1 VAL 70 0.000 7.933 2.739 560 3HG1 VAL 70 1HG1 VAL 70 1.708 7.787 2.253 561 1HG2 VAL 70 1HG2 VAL 70 1.951 8.373 5.901 562 2HG2 VAL 70 2HG2 VAL 70 2.526 8.883 4.303 563 3HG2 VAL 70 3HG2 VAL 70 0.856 9.197 4.758 564 HA PRO 71 HA PRO 71 1.759 4.295 3.877 565 1HB PRO 71 1HB PRO 71 1.750 1.573 4.160 566 2HB PRO 71 2HB PRO 71 3.127 2.593 4.661 567 1HG PRO 71 1HG PRO 71 0.879 1.531 6.374 568 2HG PRO 71 2HG PRO 71 2.635 1.495 6.712 569 1HD PRO 71 1HD PRO 71 1.052 3.403 7.798 570 2HD PRO 71 2HD PRO 71 2.709 3.784 7.237 571 H ARG 72 H ARG 72 0.348 3.743 2.233 572 HA ARG 72 HA ARG 72 -2.408 2.922 3.097 573 1HB ARG 72 1HB ARG 72 -2.285 5.241 2.143 574 2HB ARG 72 2HB ARG 72 -1.779 4.517 0.599 575 1HG ARG 72 1HG ARG 72 -3.893 2.981 0.954 576 2HG ARG 72 2HG ARG 72 -4.381 4.211 2.129 577 1HD ARG 72 1HD ARG 72 -5.473 4.632 0.078 578 2HD ARG 72 2HD ARG 72 -4.263 5.900 0.283 579 HE ARG 72 HE ARG 72 -2.900 3.988 -1.114 580 1HH1 ARG 72 1HH2 ARG 72 -5.987 5.361 -3.406 581 2HH1 ARG 72 2HH2 ARG 72 -6.032 5.484 -1.684 582 1HH2 ARG 72 2HH1 ARG 72 -2.694 3.985 -3.438 583 2HH2 ARG 72 1HH1 ARG 72 -4.039 4.431 -4.419 584 H VAL 73 H VAL 73 -2.158 0.706 2.952 585 HA VAL 73 HA VAL 73 -0.858 -0.509 0.663 586 HB VAL 73 HB VAL 73 -2.584 -1.607 2.909 587 1HG1 VAL 73 2HG1 VAL 73 -1.158 -3.143 0.673 588 2HG1 VAL 73 3HG1 VAL 73 -1.883 -3.894 2.106 589 3HG1 VAL 73 1HG1 VAL 73 -2.906 -3.075 0.944 590 1HG2 VAL 73 3HG2 VAL 73 0.378 -1.706 2.405 591 2HG2 VAL 73 1HG2 VAL 73 -0.482 -0.964 3.778 592 3HG2 VAL 73 2HG2 VAL 73 -0.454 -2.721 3.588 593 H PHE 74 H PHE 74 -1.733 -0.860 -1.282 594 HA PHE 74 HA PHE 74 -4.665 -0.779 -1.588 595 1HB PHE 74 1HB PHE 74 -3.037 1.196 -2.412 596 2HB PHE 74 2HB PHE 74 -2.839 0.136 -3.789 597 HD1 PHE 74 1HD PHE 74 -5.417 1.858 -1.680 598 HD2 PHE 74 2HD PHE 74 -4.458 0.161 -5.502 599 HE1 PHE 74 1HE PHE 74 -7.512 2.842 -2.680 600 HE2 PHE 74 2HE PHE 74 -6.510 1.213 -6.469 601 HZ PHE 74 HZ PHE 74 -8.066 2.491 -5.001 602 H ILE 75 H ILE 75 -5.093 -2.923 -1.723 603 HA ILE 75 HA ILE 75 -3.228 -4.818 -3.072 604 HB ILE 75 HB ILE 75 -5.082 -5.020 -0.789 605 1HG1 ILE 75 1HG1 ILE 75 -3.780 -7.354 -0.701 606 2HG1 ILE 75 2HG1 ILE 75 -2.728 -6.570 -1.882 607 1HG2 ILE 75 2HG2 ILE 75 -5.230 -7.172 -2.897 608 2HG2 ILE 75 3HG2 ILE 75 -5.918 -7.273 -1.278 609 3HG2 ILE 75 1HG2 ILE 75 -6.581 -6.112 -2.396 610 1HD1 ILE 75 3HD1 ILE 75 -3.314 -5.674 0.937 611 2HD1 ILE 75 1HD1 ILE 75 -1.852 -6.487 0.345 612 3HD1 ILE 75 2HD1 ILE 75 -2.243 -4.872 -0.253 613 H GLY 76 H GLY 76 -3.573 -4.892 -5.249 614 1HA GLY 76 1HA GLY 76 -4.626 -5.106 -7.238 615 2HA GLY 76 2HA GLY 76 -5.828 -5.998 -6.308 616 H LYS 77 H LYS 77 -4.967 -2.574 -7.077 617 HA LYS 77 HA LYS 77 -6.092 -0.776 -7.060 618 1HB LYS 77 1HB LYS 77 -6.667 -2.113 -9.306 619 2HB LYS 77 2HB LYS 77 -8.321 -1.942 -8.690 620 1HG LYS 77 1HG LYS 77 -7.486 0.534 -8.224 621 2HG LYS 77 2HG LYS 77 -6.258 0.150 -9.417 622 1HD LYS 77 1HD LYS 77 -9.258 0.002 -9.905 623 2HD LYS 77 2HD LYS 77 -8.256 1.428 -10.222 624 1HE LYS 77 1HE LYS 77 -6.781 -0.154 -11.673 625 2HE LYS 77 2HE LYS 77 -8.179 -1.264 -11.628 626 1HZ LYS 77 3HZ LYS 77 -9.500 0.600 -12.522 627 2HZ LYS 77 1HZ LYS 77 -8.140 1.524 -12.632 628 3HZ LYS 77 2HZ LYS 77 -8.281 0.183 -13.552 629 H ASP 78 H ASP 78 -6.847 -2.300 -4.586 630 HA ASP 78 HA ASP 78 -9.108 -0.520 -4.000 631 1HB ASP 78 1HB ASP 78 -9.965 -2.874 -4.495 632 2HB ASP 78 2HB ASP 78 -8.975 -3.434 -3.132 633 H CYS 79 H CYS 79 -9.065 0.168 -1.751 634 HA CYS 79 HA CYS 79 -6.388 -0.118 -0.517 635 1HB CYS 79 1HB CYS 79 -7.650 2.106 -0.795 636 2HB CYS 79 2HB CYS 79 -8.720 1.590 0.481 637 HG CYS 79 HG CYS 79 -7.171 3.026 1.760 638 H ILE 80 H ILE 80 -5.984 -1.273 1.489 639 HA ILE 80 HA ILE 80 -8.261 -2.754 2.555 640 HB ILE 80 HB ILE 80 -6.678 -3.902 3.825 641 1HG1 ILE 80 1HG1 ILE 80 -4.188 -3.549 3.331 642 2HG1 ILE 80 2HG1 ILE 80 -4.660 -1.920 2.817 643 1HG2 ILE 80 3HG2 ILE 80 -7.101 -4.571 1.489 644 2HG2 ILE 80 1HG2 ILE 80 -5.683 -3.634 0.969 645 3HG2 ILE 80 2HG2 ILE 80 -5.483 -5.035 2.047 646 1HD1 ILE 80 3HD1 ILE 80 -5.351 -3.069 5.542 647 2HD1 ILE 80 1HD1 ILE 80 -3.837 -2.203 5.200 648 3HD1 ILE 80 2HD1 ILE 80 -5.378 -1.365 5.042 649 H GLY 81 H GLY 81 -7.115 0.385 3.033 650 1HA GLY 81 1HA GLY 81 -8.520 1.542 4.875 651 2HA GLY 81 2HA GLY 81 -7.707 0.411 5.948 652 H GLY 82 H GLY 82 -5.593 0.604 6.294 653 1HA GLY 82 1HA GLY 82 -3.743 1.838 4.500 654 2HA GLY 82 2HA GLY 82 -3.941 2.892 5.900 655 H CYS 83 H CYS 83 -3.558 1.899 8.046 656 HA CYS 83 HA CYS 83 -1.549 -0.321 7.922 657 1HB CYS 83 1HB CYS 83 -0.018 1.201 8.292 658 2HB CYS 83 2HB CYS 83 -1.182 2.471 8.663 659 HG CYS 83 HG CYS 83 -1.403 2.079 11.143 660 H SER 84 H SER 84 -4.101 1.205 10.021 661 HA SER 84 HA SER 84 -3.458 -0.755 12.090 662 1HB SER 84 1HB SER 84 -4.408 1.651 12.363 663 2HB SER 84 2HB SER 84 -5.982 0.891 12.068 664 HG SER 84 HG SER 84 -5.860 -0.093 13.926 665 H ASP 85 H ASP 85 -5.671 -0.544 9.382 666 HA ASP 85 HA ASP 85 -7.134 -3.001 9.857 667 1HB ASP 85 1HB ASP 85 -6.410 -1.397 7.369 668 2HB ASP 85 2HB ASP 85 -7.217 -2.956 7.273 669 H LEU 86 H LEU 86 -4.030 -2.128 8.289 670 HA LEU 86 HA LEU 86 -3.436 -4.679 7.246 671 1HB LEU 86 1HB LEU 86 -2.252 -2.501 6.679 672 2HB LEU 86 2HB LEU 86 -1.405 -2.654 8.214 673 HG LEU 86 HG LEU 86 -0.497 -4.860 7.486 674 1HD1 LEU 86 3HD1 LEU 86 -1.761 -4.105 4.819 675 2HD1 LEU 86 1HD1 LEU 86 -0.509 -5.359 5.047 676 3HD1 LEU 86 2HD1 LEU 86 -2.091 -5.547 5.795 677 1HD2 LEU 86 3HD2 LEU 86 0.110 -2.412 5.792 678 2HD2 LEU 86 1HD2 LEU 86 0.794 -2.811 7.376 679 3HD2 LEU 86 2HD2 LEU 86 1.176 -3.828 5.984 680 H VAL 87 H VAL 87 -2.825 -3.270 10.523 681 HA VAL 87 HA VAL 87 -1.330 -5.406 11.572 682 HB VAL 87 HB VAL 87 -3.059 -3.146 12.614 683 1HG1 VAL 87 1HG1 VAL 87 -1.629 -5.188 14.325 684 2HG1 VAL 87 2HG1 VAL 87 -2.328 -3.640 14.881 685 3HG1 VAL 87 3HG1 VAL 87 -3.387 -4.895 14.247 686 1HG2 VAL 87 1HG2 VAL 87 -0.808 -2.618 11.695 687 2HG2 VAL 87 2HG2 VAL 87 -0.921 -2.286 13.427 688 3HG2 VAL 87 3HG2 VAL 87 -0.081 -3.738 12.860 689 H SER 88 H SER 88 -4.942 -4.888 11.337 690 HA SER 88 HA SER 88 -5.633 -7.220 12.890 691 1HB SER 88 1HB SER 88 -7.031 -5.376 10.978 692 2HB SER 88 2HB SER 88 -7.550 -7.054 10.881 693 HG SER 88 HG SER 88 -8.822 -6.255 12.384 694 H LEU 89 H LEU 89 -5.241 -6.580 9.396 695 HA LEU 89 HA LEU 89 -5.784 -9.158 8.429 696 1HB LEU 89 1HB LEU 89 -4.011 -6.944 7.373 697 2HB LEU 89 2HB LEU 89 -4.317 -8.377 6.460 698 HG LEU 89 HG LEU 89 -6.781 -6.984 7.397 699 1HD1 LEU 89 2HD1 LEU 89 -5.038 -5.945 5.111 700 2HD1 LEU 89 3HD1 LEU 89 -6.716 -5.457 5.479 701 3HD1 LEU 89 1HD1 LEU 89 -5.443 -5.093 6.618 702 1HD2 LEU 89 1HD2 LEU 89 -6.763 -9.060 5.935 703 2HD2 LEU 89 2HD2 LEU 89 -7.597 -7.691 5.219 704 3HD2 LEU 89 3HD2 LEU 89 -5.956 -8.128 4.682 705 H GLN 90 H GLN 90 -2.650 -7.811 9.694 706 HA GLN 90 HA GLN 90 -1.221 -10.263 9.184 707 1HB GLN 90 1HB GLN 90 -0.061 -8.111 9.662 708 2HB GLN 90 2HB GLN 90 -0.661 -8.173 11.330 709 1HG GLN 90 1HG GLN 90 0.495 -10.407 11.607 710 2HG GLN 90 2HG GLN 90 1.136 -10.233 9.972 711 1HE2 GLN 90 2HE2 GLN 90 3.999 -8.846 11.533 712 2HE2 GLN 90 1HE2 GLN 90 3.379 -10.015 10.421 713 H GLN 91 H GLN 91 -2.753 -9.004 12.296 714 HA GLN 91 HA GLN 91 -1.941 -11.127 13.816 715 1HB GLN 91 1HB GLN 91 -3.430 -8.645 13.968 716 2HB GLN 91 2HB GLN 91 -4.438 -9.852 14.705 717 1HG GLN 91 1HG GLN 91 -1.525 -9.376 15.390 718 2HG GLN 91 2HG GLN 91 -2.898 -8.623 16.165 719 1HE2 GLN 91 2HE2 GLN 91 -1.675 -12.136 17.589 720 2HE2 GLN 91 1HE2 GLN 91 -0.680 -11.014 16.653 721 H SER 92 H SER 92 -5.135 -10.548 12.319 722 HA SER 92 HA SER 92 -6.293 -13.099 13.103 723 1HB SER 92 1HB SER 92 -7.562 -10.970 12.875 724 2HB SER 92 2HB SER 92 -7.170 -10.926 11.146 725 HG SER 92 HG SER 92 -8.205 -13.139 11.223 726 H GLY 93 H GLY 93 -3.903 -12.354 10.849 727 1HA GLY 93 1HA GLY 93 -3.045 -13.427 9.083 728 2HA GLY 93 2HA GLY 93 -4.153 -14.767 9.410 729 H GLU 94 H GLU 94 -5.968 -11.776 8.815 730 HA GLU 94 HA GLU 94 -6.999 -13.109 6.495 731 1HB GLU 94 1HB GLU 94 -8.387 -11.694 7.992 732 2HB GLU 94 2HB GLU 94 -7.545 -10.273 7.431 733 1HG GLU 94 1HG GLU 94 -8.282 -10.941 5.040 734 2HG GLU 94 2HG GLU 94 -9.217 -12.239 5.772 735 H LEU 95 H LEU 95 -4.353 -10.886 6.974 736 HA LEU 95 HA LEU 95 -4.005 -9.688 4.515 737 1HB LEU 95 1HB LEU 95 -2.517 -9.441 6.555 738 2HB LEU 95 2HB LEU 95 -1.828 -11.006 6.202 739 HG LEU 95 HG LEU 95 -0.795 -10.164 4.191 740 1HD1 LEU 95 2HD1 LEU 95 -2.366 -7.592 4.678 741 2HD1 LEU 95 3HD1 LEU 95 -1.023 -7.741 3.524 742 3HD1 LEU 95 1HD1 LEU 95 -2.493 -8.668 3.271 743 1HD2 LEU 95 2HD2 LEU 95 0.249 -9.664 6.428 744 2HD2 LEU 95 3HD2 LEU 95 0.712 -8.520 5.167 745 3HD2 LEU 95 1HD2 LEU 95 -0.502 -8.059 6.384 746 H LEU 96 H LEU 96 -3.388 -13.090 5.357 747 HA LEU 96 HA LEU 96 -1.900 -13.692 2.952 748 1HB LEU 96 1HB LEU 96 -3.411 -15.416 4.980 749 2HB LEU 96 2HB LEU 96 -2.604 -16.106 3.594 750 HG LEU 96 HG LEU 96 -1.312 -16.339 5.645 751 1HD1 LEU 96 1HD1 LEU 96 -0.128 -16.317 3.517 752 2HD1 LEU 96 2HD1 LEU 96 0.092 -14.550 3.619 753 3HD1 LEU 96 3HD1 LEU 96 0.863 -15.630 4.803 754 1HD2 LEU 96 2HD2 LEU 96 -1.926 -14.204 6.777 755 2HD2 LEU 96 3HD2 LEU 96 -0.193 -14.547 6.778 756 3HD2 LEU 96 1HD2 LEU 96 -0.839 -13.333 5.661 757 H THR 97 H THR 97 -5.327 -14.224 3.928 758 HA THR 97 HA THR 97 -6.292 -15.171 1.479 759 HB THR 97 HB THR 97 -7.779 -13.414 3.483 760 HG1 THR 97 HG1 THR 97 -8.036 -15.257 4.708 761 1HG2 THR 97 2HG2 THR 97 -9.065 -14.108 1.470 762 2HG2 THR 97 3HG2 THR 97 -8.680 -15.809 1.818 763 3HG2 THR 97 1HG2 THR 97 -9.688 -14.872 2.942 764 H ARG 98 H ARG 98 -6.217 -11.821 2.759 765 HA ARG 98 HA ARG 98 -7.341 -10.421 0.613 766 1HB ARG 98 1HB ARG 98 -6.874 -9.584 2.921 767 2HB ARG 98 2HB ARG 98 -5.156 -9.576 2.549 768 1HG ARG 98 1HG ARG 98 -5.982 -7.338 2.392 769 2HG ARG 98 2HG ARG 98 -5.504 -7.898 0.798 770 1HD ARG 98 1HD ARG 98 -7.515 -6.656 0.520 771 2HD ARG 98 2HD ARG 98 -7.942 -8.334 0.294 772 HE ARG 98 HE ARG 98 -8.571 -6.500 2.564 773 1HH1 ARG 98 2HH2 ARG 98 -9.373 -9.792 1.282 774 2HH1 ARG 98 1HH2 ARG 98 -10.185 -10.160 2.797 775 1HH2 ARG 98 2HH1 ARG 98 -9.883 -7.033 4.230 776 2HH2 ARG 98 1HH1 ARG 98 -10.533 -8.642 4.394 777 H LEU 99 H LEU 99 -3.929 -11.447 1.058 778 HA LEU 99 HA LEU 99 -3.139 -10.140 -1.454 779 1HB LEU 99 1HB LEU 99 -1.863 -12.197 0.434 780 2HB LEU 99 2HB LEU 99 -1.035 -11.630 -1.008 781 HG LEU 99 HG LEU 99 -1.939 -9.694 1.151 782 1HD1 LEU 99 2HD1 LEU 99 0.704 -11.198 0.861 783 2HD1 LEU 99 3HD1 LEU 99 0.417 -9.822 1.959 784 3HD1 LEU 99 1HD1 LEU 99 -0.462 -11.344 2.183 785 1HD2 LEU 99 1HD2 LEU 99 0.172 -9.531 -1.044 786 2HD2 LEU 99 2HD2 LEU 99 -1.408 -8.704 -1.034 787 3HD2 LEU 99 3HD2 LEU 99 -0.178 -8.280 0.167 788 H LYS 100 H LYS 100 -3.888 -13.595 -0.571 789 HA LYS 100 HA LYS 100 -3.340 -14.303 -3.300 790 1HB LYS 100 1HB LYS 100 -4.124 -15.749 -0.954 791 2HB LYS 100 2HB LYS 100 -5.280 -16.149 -2.227 792 1HG LYS 100 1HG LYS 100 -3.244 -16.399 -3.816 793 2HG LYS 100 2HG LYS 100 -2.241 -16.259 -2.394 794 1HD LYS 100 1HD LYS 100 -3.468 -18.243 -1.380 795 2HD LYS 100 2HD LYS 100 -4.408 -18.405 -2.868 796 1HE LYS 100 1HE LYS 100 -1.390 -18.805 -2.616 797 2HE LYS 100 2HE LYS 100 -2.610 -20.093 -2.688 798 1HZ LYS 100 2HZ LYS 100 -3.079 -19.365 -4.988 799 2HZ LYS 100 3HZ LYS 100 -1.890 -18.203 -4.824 800 3HZ LYS 100 1HZ LYS 100 -1.473 -19.709 -4.789 801 H GLN 101 H GLN 101 -6.144 -12.940 -1.849 802 HA GLN 101 HA GLN 101 -8.069 -13.211 -3.833 803 1HB GLN 101 1HB GLN 101 -8.031 -11.983 -1.540 804 2HB GLN 101 2HB GLN 101 -7.533 -10.563 -2.458 805 1HG GLN 101 1HG GLN 101 -9.609 -10.455 -3.592 806 2HG GLN 101 2HG GLN 101 -10.025 -12.120 -3.150 807 1HE2 GLN 101 2HE2 GLN 101 -12.122 -10.495 -0.744 808 2HE2 GLN 101 1HE2 GLN 101 -12.092 -11.114 -2.370 809 H ILE 102 H ILE 102 -4.990 -11.362 -4.152 810 HA ILE 102 HA ILE 102 -5.942 -10.628 -6.904 811 HB ILE 102 HB ILE 102 -4.388 -8.889 -6.947 812 1HG1 ILE 102 1HG1 ILE 102 -3.246 -8.849 -4.270 813 2HG1 ILE 102 2HG1 ILE 102 -2.959 -10.411 -4.981 814 1HG2 ILE 102 2HG2 ILE 102 -6.436 -8.399 -5.718 815 2HG2 ILE 102 3HG2 ILE 102 -5.677 -8.920 -4.195 816 3HG2 ILE 102 1HG2 ILE 102 -5.038 -7.514 -5.056 817 1HD1 ILE 102 2HD1 ILE 102 -2.038 -9.315 -7.028 818 2HD1 ILE 102 3HD1 ILE 102 -2.202 -7.757 -6.183 819 3HD1 ILE 102 1HD1 ILE 102 -1.110 -9.022 -5.559 820 H GLY 103 H GLY 103 -4.598 -13.295 -5.795 821 1HA GLY 103 1HA GLY 103 -3.301 -14.913 -6.807 822 2HA GLY 103 2HA GLY 103 -3.109 -13.851 -8.209 823 H ALA 104 H ALA 104 -2.200 -13.246 -4.800 824 HA ALA 104 HA ALA 104 0.568 -12.469 -5.581 825 1HB ALA 104 3HB ALA 104 -1.073 -12.509 -2.984 826 2HB ALA 104 1HB ALA 104 0.506 -11.758 -3.143 827 3HB ALA 104 2HB ALA 104 -0.911 -11.081 -4.014 828 H LEU 105 H LEU 105 -0.655 -14.423 -2.677 829 HA LEU 105 HA LEU 105 1.870 -15.768 -2.678 830 1HB LEU 105 1HB LEU 105 -0.431 -17.241 -1.567 831 2HB LEU 105 2HB LEU 105 1.121 -16.846 -0.897 832 HG LEU 105 HG LEU 105 -1.193 -14.889 -0.912 833 1HD1 LEU 105 1HD1 LEU 105 -0.191 -16.791 1.234 834 2HD1 LEU 105 2HD1 LEU 105 -1.395 -15.510 1.475 835 3HD1 LEU 105 3HD1 LEU 105 -1.758 -16.859 0.400 836 1HD2 LEU 105 2HD2 LEU 105 1.427 -14.864 0.638 837 2HD2 LEU 105 3HD2 LEU 105 1.025 -13.792 -0.707 838 3HD2 LEU 105 1HD2 LEU 105 0.105 -13.696 0.802 839 H GLN 106 H GLN 106 2.401 -17.572 -3.838 840 HA GLN 106 HA GLN 106 1.054 -17.558 -6.333 841 1HB GLN 106 2HB GLN 106 3.473 -17.679 -6.061 842 2HB GLN 106 3HB GLN 106 3.337 -19.316 -5.393 843 1HG GLN 106 2HG GLN 106 2.523 -20.176 -7.515 844 2HG GLN 106 3HG GLN 106 2.247 -18.550 -8.137 845 1HE2 GLN 106 2HE2 GLN 106 6.095 -20.046 -8.128 846 2HE2 GLN 106 1HE2 GLN 106 4.886 -20.760 -7.069 No H/Q in entry = 846 Start of MODEL 19 1 1H ALA 2 2H ALA 2 -4.000 14.725 -7.645 2 2H ALA 2 3H ALA 2 -3.727 13.781 -6.312 3 3H ALA 2 1H ALA 2 -2.825 15.138 -6.598 4 HA ALA 2 HA ALA 2 -1.926 14.233 -8.575 5 1HB ALA 2 2HB ALA 2 -0.714 13.960 -6.445 6 2HB ALA 2 3HB ALA 2 -1.507 12.375 -6.222 7 3HB ALA 2 1HB ALA 2 -0.403 12.638 -7.583 8 H GLN 3 H GLN 3 -3.941 13.722 -9.752 9 HA GLN 3 HA GLN 3 -5.255 11.182 -9.400 10 1HB GLN 3 1HB GLN 3 -6.799 12.032 -11.043 11 2HB GLN 3 2HB GLN 3 -6.383 13.308 -9.901 12 1HG GLN 3 1HG GLN 3 -4.532 13.930 -11.737 13 2HG GLN 3 2HG GLN 3 -5.575 12.988 -12.799 14 1HE2 GLN 3 2HE2 GLN 3 -6.541 16.567 -13.086 15 2HE2 GLN 3 1HE2 GLN 3 -5.137 15.584 -13.437 16 H GLU 4 H GLU 4 -2.455 10.940 -10.195 17 HA GLU 4 HA GLU 4 -2.607 9.309 -12.639 18 1HB GLU 4 1HB GLU 4 -2.543 11.738 -13.352 19 2HB GLU 4 2HB GLU 4 -1.035 11.912 -12.465 20 1HG GLU 4 1HG GLU 4 0.000 10.183 -13.955 21 2HG GLU 4 2HG GLU 4 -1.519 10.089 -14.852 22 H PHE 5 H PHE 5 -0.296 11.184 -10.508 23 HA PHE 5 HA PHE 5 1.685 9.198 -10.489 24 1HB PHE 5 1HB PHE 5 1.723 11.611 -9.522 25 2HB PHE 5 2HB PHE 5 1.181 10.883 -8.024 26 HD1 PHE 5 1HD PHE 5 2.694 8.733 -7.234 27 HD2 PHE 5 2HD PHE 5 3.998 11.849 -9.931 28 HE1 PHE 5 1HE PHE 5 5.063 8.145 -6.787 29 HE2 PHE 5 2HE PHE 5 6.352 11.291 -9.421 30 HZ PHE 5 HZ PHE 5 6.890 9.436 -7.843 31 H VAL 6 H VAL 6 -1.091 9.554 -8.156 32 HA VAL 6 HA VAL 6 -0.449 6.933 -6.989 33 HB VAL 6 HB VAL 6 -2.621 8.989 -6.561 34 1HG1 VAL 6 3HG1 VAL 6 -2.509 6.223 -5.291 35 2HG1 VAL 6 1HG1 VAL 6 -3.506 7.558 -4.704 36 3HG1 VAL 6 2HG1 VAL 6 -3.808 6.864 -6.305 37 1HG2 VAL 6 2HG2 VAL 6 -0.326 9.244 -5.477 38 2HG2 VAL 6 3HG2 VAL 6 -1.683 9.160 -4.333 39 3HG2 VAL 6 1HG2 VAL 6 -0.647 7.756 -4.589 40 H ASN 7 H ASN 7 -2.936 8.339 -9.175 41 HA ASN 7 HA ASN 7 -4.576 6.072 -9.092 42 1HB ASN 7 1HB ASN 7 -5.080 8.479 -9.953 43 2HB ASN 7 2HB ASN 7 -4.524 7.878 -11.524 44 1HD2 ASN 7 2HD2 ASN 7 -8.212 6.842 -10.034 45 2HD2 ASN 7 1HD2 ASN 7 -7.204 8.085 -9.387 46 H CYS 8 H CYS 8 -2.102 6.902 -11.566 47 HA CYS 8 HA CYS 8 -2.581 4.498 -13.100 48 1HB CYS 8 1HB CYS 8 -1.784 6.713 -14.014 49 2HB CYS 8 2HB CYS 8 -0.220 6.422 -13.224 50 HG CYS 8 HG CYS 8 -0.474 5.961 -15.950 51 H LYS 9 H LYS 9 -0.670 5.285 -10.268 52 HA LYS 9 HA LYS 9 1.299 3.209 -10.620 53 1HB LYS 9 1HB LYS 9 0.626 5.159 -8.555 54 2HB LYS 9 2HB LYS 9 0.826 3.596 -7.827 55 1HG LYS 9 1HG LYS 9 2.878 4.869 -7.805 56 2HG LYS 9 2HG LYS 9 3.019 3.323 -8.599 57 1HD LYS 9 1HD LYS 9 2.896 4.677 -10.841 58 2HD LYS 9 2HD LYS 9 3.078 6.110 -9.818 59 1HE LYS 9 1HE LYS 9 5.307 5.496 -10.481 60 2HE LYS 9 2HE LYS 9 5.135 5.002 -8.794 61 1HZ LYS 9 3HZ LYS 9 4.468 2.739 -9.871 62 2HZ LYS 9 1HZ LYS 9 5.188 3.342 -11.205 63 3HZ LYS 9 2HZ LYS 9 6.070 3.156 -9.848 64 H ILE 10 H ILE 10 -1.922 3.287 -8.874 65 HA ILE 10 HA ILE 10 -1.628 0.602 -7.975 66 HB ILE 10 HB ILE 10 -4.164 2.149 -8.610 67 1HG1 ILE 10 1HG1 ILE 10 -3.142 2.016 -5.774 68 2HG1 ILE 10 2HG1 ILE 10 -2.314 3.134 -6.842 69 1HG2 ILE 10 3HG2 ILE 10 -3.627 -0.191 -6.720 70 2HG2 ILE 10 1HG2 ILE 10 -5.102 0.796 -6.707 71 3HG2 ILE 10 2HG2 ILE 10 -4.709 -0.163 -8.139 72 1HD1 ILE 10 2HD1 ILE 10 -5.304 3.086 -6.438 73 2HD1 ILE 10 3HD1 ILE 10 -4.138 4.252 -5.749 74 3HD1 ILE 10 1HD1 ILE 10 -4.398 4.182 -7.510 75 H GLN 11 H GLN 11 -2.609 -1.307 -8.845 76 HA GLN 11 HA GLN 11 -3.739 -1.238 -11.522 77 1HB GLN 11 1HB GLN 11 -1.194 -1.481 -11.694 78 2HB GLN 11 2HB GLN 11 -1.337 -2.961 -10.752 79 1HG GLN 11 1HG GLN 11 -2.814 -3.879 -12.610 80 2HG GLN 11 2HG GLN 11 -2.458 -2.427 -13.524 81 1HE2 GLN 11 2HE2 GLN 11 0.109 -5.490 -13.758 82 2HE2 GLN 11 1HE2 GLN 11 -1.580 -5.578 -13.302 83 HA PRO 12 HA PRO 12 -5.766 -4.756 -9.335 84 1HB PRO 12 1HB PRO 12 -6.578 -6.248 -11.495 85 2HB PRO 12 2HB PRO 12 -7.436 -4.790 -10.908 86 1HG PRO 12 1HG PRO 12 -5.425 -4.965 -13.166 87 2HG PRO 12 2HG PRO 12 -7.045 -4.182 -13.173 88 1HD PRO 12 1HD PRO 12 -4.796 -2.740 -12.751 89 2HD PRO 12 2HD PRO 12 -6.286 -2.383 -11.840 90 H GLY 13 H GLY 13 -5.305 -7.095 -9.287 91 1HA GLY 13 1HA GLY 13 -3.710 -8.797 -8.970 92 2HA GLY 13 2HA GLY 13 -3.312 -8.456 -10.639 93 H LYS 14 H LYS 14 -2.695 -5.941 -8.192 94 HA LYS 14 HA LYS 14 0.098 -6.733 -7.922 95 1HB LYS 14 1HB LYS 14 -0.550 -4.968 -9.948 96 2HB LYS 14 2HB LYS 14 -0.267 -3.839 -8.633 97 1HG LYS 14 1HG LYS 14 2.014 -4.599 -8.394 98 2HG LYS 14 2HG LYS 14 1.674 -6.077 -9.306 99 1HD LYS 14 1HD LYS 14 3.000 -4.718 -10.686 100 2HD LYS 14 2HD LYS 14 1.377 -4.773 -11.373 101 1HE LYS 14 1HE LYS 14 0.928 -2.499 -10.392 102 2HE LYS 14 2HE LYS 14 2.582 -2.484 -9.745 103 1HZ LYS 14 3HZ LYS 14 3.379 -2.674 -12.034 104 2HZ LYS 14 1HZ LYS 14 1.836 -2.572 -12.611 105 3HZ LYS 14 2HZ LYS 14 2.549 -1.313 -11.822 106 H VAL 15 H VAL 15 1.148 -5.376 -6.134 107 HA VAL 15 HA VAL 15 -0.911 -4.626 -4.141 108 HB VAL 15 HB VAL 15 1.683 -6.189 -3.631 109 1HG1 VAL 15 2HG1 VAL 15 -0.586 -5.113 -1.954 110 2HG1 VAL 15 3HG1 VAL 15 0.499 -6.390 -1.360 111 3HG1 VAL 15 1HG1 VAL 15 1.120 -4.782 -1.754 112 1HG2 VAL 15 3HG2 VAL 15 -0.020 -7.585 -4.804 113 2HG2 VAL 15 1HG2 VAL 15 0.356 -8.080 -3.166 114 3HG2 VAL 15 2HG2 VAL 15 -1.153 -7.189 -3.488 115 H VAL 16 H VAL 16 -0.771 -2.426 -4.517 116 HA VAL 16 HA VAL 16 1.974 -1.254 -4.672 117 HB VAL 16 HB VAL 16 -0.685 -0.362 -5.852 118 1HG1 VAL 16 2HG1 VAL 16 2.071 0.916 -6.017 119 2HG1 VAL 16 3HG1 VAL 16 0.640 1.422 -6.940 120 3HG1 VAL 16 1HG1 VAL 16 0.661 1.605 -5.182 121 1HG2 VAL 16 2HG2 VAL 16 1.913 -1.440 -7.068 122 2HG2 VAL 16 3HG2 VAL 16 0.352 -2.271 -7.035 123 3HG2 VAL 16 1HG2 VAL 16 0.542 -0.809 -8.008 124 H VAL 17 H VAL 17 2.593 0.095 -3.067 125 HA VAL 17 HA VAL 17 0.535 0.793 -1.039 126 HB VAL 17 HB VAL 17 3.354 -0.225 -0.519 127 1HG1 VAL 17 3HG1 VAL 17 0.965 0.295 1.300 128 2HG1 VAL 17 1HG1 VAL 17 2.493 -0.468 1.815 129 3HG1 VAL 17 2HG1 VAL 17 2.462 1.206 1.257 130 1HG2 VAL 17 3HG2 VAL 17 0.766 -1.806 -0.466 131 2HG2 VAL 17 1HG2 VAL 17 2.193 -2.090 -1.478 132 3HG2 VAL 17 2HG2 VAL 17 2.310 -2.329 0.257 133 H PHE 18 H PHE 18 0.446 2.947 -0.799 134 HA PHE 18 HA PHE 18 2.756 4.570 -1.665 135 1HB PHE 18 1HB PHE 18 0.037 5.439 -0.631 136 2HB PHE 18 2HB PHE 18 1.275 6.531 -1.268 137 HD1 PHE 18 2HD PHE 18 1.995 6.466 -3.631 138 HD2 PHE 18 1HD PHE 18 -1.160 3.941 -2.150 139 HE1 PHE 18 2HE PHE 18 1.309 5.959 -5.956 140 HE2 PHE 18 1HE PHE 18 -1.876 3.461 -4.467 141 HZ PHE 18 HZ PHE 18 -0.657 4.496 -6.377 142 H ILE 19 H ILE 19 4.289 5.207 -0.243 143 HA ILE 19 HA ILE 19 3.853 4.995 2.683 144 HB ILE 19 HB ILE 19 6.113 4.031 2.853 145 1HG1 ILE 19 1HG1 ILE 19 6.359 3.270 -0.019 146 2HG1 ILE 19 2HG1 ILE 19 6.644 4.959 0.322 147 1HG2 ILE 19 2HG2 ILE 19 4.230 2.499 2.791 148 2HG2 ILE 19 3HG2 ILE 19 4.360 2.387 1.016 149 3HG2 ILE 19 1HG2 ILE 19 5.662 1.785 2.049 150 1HD1 ILE 19 3HD1 ILE 19 8.074 2.741 1.791 151 2HD1 ILE 19 1HD1 ILE 19 8.721 3.664 0.422 152 3HD1 ILE 19 2HD1 ILE 19 8.355 4.492 1.947 153 H LYS 20 H LYS 20 6.028 5.973 3.775 154 HA LYS 20 HA LYS 20 7.339 7.889 2.025 155 1HB LYS 20 1HB LYS 20 6.872 9.753 3.011 156 2HB LYS 20 2HB LYS 20 5.464 9.013 3.682 157 1HG LYS 20 1HG LYS 20 6.972 8.696 5.728 158 2HG LYS 20 2HG LYS 20 8.168 9.676 4.930 159 1HD LYS 20 1HD LYS 20 5.323 10.586 5.485 160 2HD LYS 20 2HD LYS 20 6.698 10.847 6.569 161 1HE LYS 20 1HE LYS 20 7.913 12.066 4.799 162 2HE LYS 20 2HE LYS 20 6.524 11.870 3.707 163 1HZ LYS 20 2HZ LYS 20 6.431 13.237 6.324 164 2HZ LYS 20 3HZ LYS 20 6.516 14.008 4.870 165 3HZ LYS 20 1HZ LYS 20 5.192 13.109 5.256 166 HA PRO 21 HA PRO 21 10.714 6.013 3.902 167 1HB PRO 21 1HB PRO 21 12.779 7.783 3.718 168 2HB PRO 21 2HB PRO 21 11.971 7.093 2.280 169 1HG PRO 21 1HG PRO 21 11.524 9.800 3.549 170 2HG PRO 21 2HG PRO 21 11.680 9.390 1.812 171 1HD PRO 21 1HD PRO 21 9.260 9.719 3.084 172 2HD PRO 21 2HD PRO 21 9.497 8.658 1.697 173 H THR 22 H THR 22 9.933 9.212 5.335 174 HA THR 22 HA THR 22 11.332 8.614 7.817 175 HB THR 22 HB THR 22 10.639 10.913 8.368 176 HG1 THR 22 HG1 THR 22 9.514 12.107 7.057 177 1HG2 THR 22 3HG2 THR 22 12.745 10.491 7.032 178 2HG2 THR 22 1HG2 THR 22 11.825 10.815 5.554 179 3HG2 THR 22 2HG2 THR 22 12.028 12.087 6.762 180 H CYS 23 H CSN 23 8.383 7.573 6.629 181 HA CYS 23 HA CSN 23 6.974 7.794 9.189 182 1HB CYS 23 2HB CSN 23 6.260 7.009 6.394 183 2HB CYS 23 3HB CSN 23 5.474 6.148 7.602 184 HA PRO 24 HA PRO 24 8.837 3.841 10.385 185 1HB PRO 24 1HB PRO 24 8.005 3.830 12.995 186 2HB PRO 24 2HB PRO 24 9.405 4.775 12.404 187 1HG PRO 24 1HG PRO 24 6.576 5.739 12.871 188 2HG PRO 24 2HG PRO 24 8.116 6.516 13.374 189 1HD PRO 24 1HD PRO 24 6.759 7.254 11.159 190 2HD PRO 24 2HD PRO 24 8.523 7.288 11.179 191 H TYR 25 H TYR 25 5.383 4.883 10.660 192 HA TYR 25 HA TYR 25 4.473 2.157 11.125 193 1HB TYR 25 1HB TYR 25 2.989 4.670 10.268 194 2HB TYR 25 2HB TYR 25 2.226 3.119 10.535 195 HD1 TYR 25 1HD TYR 25 2.479 1.963 12.809 196 HD2 TYR 25 2HD TYR 25 3.355 6.140 12.182 197 HE1 TYR 25 1HE TYR 25 2.269 2.361 15.230 198 HE2 TYR 25 2HE TYR 25 3.169 6.549 14.609 199 HH TYR 25 HH TYR 25 1.921 4.094 16.822 200 H CYS 26 H CYS 26 5.371 4.023 8.283 201 HA CYS 26 HA CYS 26 4.242 2.151 6.333 202 1HB CYS 26 1HB CYS 26 6.565 4.149 6.160 203 2HB CYS 26 2HB CYS 26 6.072 3.071 4.869 204 HG CYS 26 HG CYS 26 3.969 5.096 6.467 205 H ARG 27 H ARG 27 7.433 2.684 7.861 206 HA ARG 27 HA ARG 27 8.814 0.591 6.716 207 1HB ARG 27 1HB ARG 27 9.460 2.566 8.344 208 2HB ARG 27 2HB ARG 27 9.308 1.327 9.599 209 1HG ARG 27 1HG ARG 27 10.973 -0.079 8.296 210 2HG ARG 27 2HG ARG 27 11.113 1.268 7.138 211 1HD ARG 27 1HD ARG 27 11.477 2.717 9.339 212 2HD ARG 27 2HD ARG 27 11.833 1.165 10.076 213 HE ARG 27 HE ARG 27 13.905 1.308 9.211 214 1HH1 ARG 27 2HH2 ARG 27 11.859 3.272 7.039 215 2HH1 ARG 27 1HH2 ARG 27 13.195 3.944 6.192 216 1HH2 ARG 27 2HH1 ARG 27 15.648 2.307 8.164 217 2HH2 ARG 27 1HH1 ARG 27 15.414 3.424 6.853 218 H ARG 28 H ARG 28 6.808 0.364 9.690 219 HA ARG 28 HA ARG 28 7.251 -2.424 10.201 220 1HB ARG 28 1HB ARG 28 6.063 -1.147 11.766 221 2HB ARG 28 2HB ARG 28 4.862 -0.589 10.627 222 1HG ARG 28 1HG ARG 28 3.721 -2.706 10.539 223 2HG ARG 28 2HG ARG 28 5.094 -3.596 11.170 224 1HD ARG 28 1HD ARG 28 4.812 -2.339 13.362 225 2HD ARG 28 2HD ARG 28 3.312 -1.653 12.714 226 HE ARG 28 HE ARG 28 2.906 -4.290 12.326 227 1HH1 ARG 28 2HH2 ARG 28 4.129 -2.692 15.251 228 2HH1 ARG 28 1HH2 ARG 28 3.153 -3.600 16.335 229 1HH2 ARG 28 2HH1 ARG 28 2.056 -5.870 13.780 230 2HH2 ARG 28 1HH1 ARG 28 2.091 -5.537 15.479 231 H ALA 29 H ALA 29 4.638 -0.869 8.483 232 HA ALA 29 HA ALA 29 3.361 -3.168 7.496 233 1HB ALA 29 2HB ALA 29 2.375 -0.892 7.371 234 2HB ALA 29 3HB ALA 29 3.507 -0.501 6.048 235 3HB ALA 29 1HB ALA 29 2.283 -1.760 5.822 236 H GLN 30 H GLN 30 6.133 -1.396 5.996 237 HA GLN 30 HA GLN 30 6.469 -2.872 3.741 238 1HB GLN 30 1HB GLN 30 8.000 -1.060 5.460 239 2HB GLN 30 2HB GLN 30 9.071 -2.355 4.988 240 1HG GLN 30 1HG GLN 30 9.311 -1.503 2.939 241 2HG GLN 30 2HG GLN 30 7.565 -1.604 2.714 242 1HE2 GLN 30 2HE2 GLN 30 9.379 1.984 3.727 243 2HE2 GLN 30 1HE2 GLN 30 10.305 0.554 3.281 244 H GLU 31 H GLU 31 7.777 -3.650 6.994 245 HA GLU 31 HA GLU 31 9.145 -5.964 5.975 246 1HB GLU 31 1HB GLU 31 8.977 -4.498 8.478 247 2HB GLU 31 2HB GLU 31 8.432 -6.137 8.824 248 1HG GLU 31 1HG GLU 31 10.550 -6.832 7.417 249 2HG GLU 31 2HG GLU 31 11.088 -5.181 7.793 250 H ILE 32 H ILE 32 6.189 -5.433 7.823 251 HA ILE 32 HA ILE 32 5.189 -8.010 8.042 252 HB ILE 32 HB ILE 32 4.105 -5.227 7.820 253 1HG1 ILE 32 1HG1 ILE 32 4.147 -7.444 9.924 254 2HG1 ILE 32 2HG1 ILE 32 5.064 -5.941 9.918 255 1HG2 ILE 32 1HG2 ILE 32 2.294 -7.620 7.740 256 2HG2 ILE 32 2HG2 ILE 32 1.782 -5.999 8.257 257 3HG2 ILE 32 3HG2 ILE 32 2.370 -6.222 6.630 258 1HD1 ILE 32 1HD1 ILE 32 2.836 -4.713 10.152 259 2HD1 ILE 32 2HD1 ILE 32 2.087 -6.301 10.419 260 3HD1 ILE 32 3HD1 ILE 32 3.343 -5.745 11.521 261 H LEU 33 H LEU 33 4.747 -5.744 5.269 262 HA LEU 33 HA LEU 33 3.179 -7.762 3.970 263 1HB LEU 33 1HB LEU 33 4.154 -5.043 3.122 264 2HB LEU 33 2HB LEU 33 3.821 -6.190 1.847 265 HG LEU 33 HG LEU 33 1.770 -5.265 3.924 266 1HD1 LEU 33 2HD1 LEU 33 1.995 -4.730 0.953 267 2HD1 LEU 33 3HD1 LEU 33 0.680 -4.254 2.013 268 3HD1 LEU 33 1HD1 LEU 33 2.299 -3.578 2.276 269 1HD2 LEU 33 2HD2 LEU 33 1.567 -7.267 1.606 270 2HD2 LEU 33 3HD2 LEU 33 1.193 -7.567 3.307 271 3HD2 LEU 33 1HD2 LEU 33 0.160 -6.498 2.361 272 H SER 34 H SER 34 6.646 -6.538 3.621 273 HA SER 34 HA SER 34 7.257 -8.451 1.585 274 1HB SER 34 1HB SER 34 8.974 -6.979 3.597 275 2HB SER 34 2HB SER 34 9.653 -8.062 2.382 276 HG SER 34 HG SER 34 9.552 -5.928 1.598 277 H GLN 35 H GLN 35 6.789 -9.155 4.995 278 HA GLN 35 HA GLN 35 8.437 -11.511 5.115 279 1HB GLN 35 1HB GLN 35 5.967 -10.568 6.635 280 2HB GLN 35 2HB GLN 35 6.718 -12.113 6.982 281 1HG GLN 35 1HG GLN 35 8.786 -11.078 7.647 282 2HG GLN 35 2HG GLN 35 8.233 -9.486 7.218 283 1HE2 GLN 35 2HE2 GLN 35 7.716 -10.317 10.949 284 2HE2 GLN 35 1HE2 GLN 35 9.129 -10.486 9.909 285 H LEU 36 H LEU 36 5.208 -10.855 3.850 286 HA LEU 36 HA LEU 36 4.375 -13.643 3.816 287 1HB LEU 36 1HB LEU 36 3.177 -11.099 2.669 288 2HB LEU 36 2HB LEU 36 2.394 -12.681 2.654 289 HG LEU 36 HG LEU 36 3.059 -10.978 5.085 290 1HD1 LEU 36 2HD1 LEU 36 1.134 -10.210 3.747 291 2HD1 LEU 36 3HD1 LEU 36 0.390 -11.821 3.876 292 3HD1 LEU 36 1HD1 LEU 36 0.623 -10.821 5.328 293 1HD2 LEU 36 1HD2 LEU 36 1.836 -13.763 4.955 294 2HD2 LEU 36 2HD2 LEU 36 3.323 -13.266 5.792 295 3HD2 LEU 36 3HD2 LEU 36 1.760 -12.699 6.378 296 HA PRO 37 HA PRO 37 6.486 -14.257 -0.069 297 1HB PRO 37 1HB PRO 37 5.560 -16.736 -0.789 298 2HB PRO 37 2HB PRO 37 6.663 -16.437 0.566 299 1HG PRO 37 1HG PRO 37 3.676 -16.859 0.628 300 2HG PRO 37 2HG PRO 37 4.915 -17.535 1.718 301 1HD PRO 37 1HD PRO 37 3.410 -15.330 2.383 302 2HD PRO 37 2HD PRO 37 5.084 -15.560 2.949 303 H ILE 38 H ILE 38 4.898 -12.328 -0.680 304 HA ILE 38 HA ILE 38 2.799 -12.911 -2.599 305 HB ILE 38 HB ILE 38 4.503 -10.464 -1.803 306 1HG1 ILE 38 1HG1 ILE 38 1.971 -9.535 -1.621 307 2HG1 ILE 38 2HG1 ILE 38 1.588 -11.256 -1.469 308 1HG2 ILE 38 2HG2 ILE 38 2.536 -10.461 -4.114 309 2HG2 ILE 38 3HG2 ILE 38 3.167 -9.003 -3.324 310 3HG2 ILE 38 1HG2 ILE 38 4.277 -10.066 -4.133 311 1HD1 ILE 38 2HD1 ILE 38 3.708 -9.908 0.224 312 2HD1 ILE 38 3HD1 ILE 38 1.997 -9.877 0.646 313 3HD1 ILE 38 1HD1 ILE 38 2.842 -11.443 0.488 314 H LYS 39 H LYS 39 2.954 -13.007 -4.902 315 HA LYS 39 HA LYS 39 5.119 -13.906 -6.107 316 1HB LYS 39 1HB LYS 39 2.692 -12.543 -7.057 317 2HB LYS 39 2HB LYS 39 4.035 -12.604 -8.206 318 1HG LYS 39 1HG LYS 39 3.089 -15.084 -6.723 319 2HG LYS 39 2HG LYS 39 2.309 -14.522 -8.189 320 1HD LYS 39 1HD LYS 39 5.277 -15.195 -7.959 321 2HD LYS 39 2HD LYS 39 4.027 -16.343 -8.462 322 1HE LYS 39 1HE LYS 39 3.435 -14.939 -10.386 323 2HE LYS 39 2HE LYS 39 4.618 -13.712 -9.900 324 1HZ LYS 39 2HZ LYS 39 5.298 -16.490 -10.640 325 2HZ LYS 39 3HZ LYS 39 5.493 -15.178 -11.604 326 3HZ LYS 39 1HZ LYS 39 6.371 -15.301 -10.249 327 H GLN 40 H GLN 40 7.086 -13.129 -6.638 328 HA GLN 40 HA GLN 40 8.085 -10.658 -5.888 329 1HB GLN 40 1HB GLN 40 9.406 -12.707 -6.512 330 2HB GLN 40 2HB GLN 40 9.050 -12.379 -8.214 331 1HG GLN 40 1HG GLN 40 10.153 -10.069 -7.839 332 2HG GLN 40 2HG GLN 40 10.728 -10.701 -6.300 333 1HE2 GLN 40 2HE2 GLN 40 12.663 -13.303 -8.314 334 2HE2 GLN 40 1HE2 GLN 40 11.500 -13.368 -6.998 335 H GLY 41 H GLY 41 7.846 -8.604 -6.668 336 1HA GLY 41 1HA GLY 41 7.969 -7.025 -8.434 337 2HA GLY 41 2HA GLY 41 7.202 -8.167 -9.536 338 H LEU 42 H LEU 42 5.125 -8.913 -7.223 339 HA LEU 42 HA LEU 42 3.240 -6.951 -8.102 340 1HB LEU 42 1HB LEU 42 3.029 -8.910 -5.822 341 2HB LEU 42 2HB LEU 42 1.752 -7.943 -6.500 342 HG LEU 42 HG LEU 42 3.047 -10.403 -7.590 343 1HD1 LEU 42 3HD1 LEU 42 0.961 -10.375 -6.176 344 2HD1 LEU 42 1HD1 LEU 42 0.152 -9.461 -7.459 345 3HD1 LEU 42 2HD1 LEU 42 0.724 -11.109 -7.782 346 1HD2 LEU 42 2HD2 LEU 42 1.484 -8.480 -9.322 347 2HD2 LEU 42 3HD2 LEU 42 3.187 -8.962 -9.523 348 3HD2 LEU 42 1HD2 LEU 42 1.910 -10.161 -9.725 349 H LEU 43 H LEU 43 5.282 -7.319 -5.185 350 HA LEU 43 HA LEU 43 3.627 -5.400 -3.696 351 1HB LEU 43 1HB LEU 43 4.968 -7.573 -2.774 352 2HB LEU 43 2HB LEU 43 6.200 -6.366 -2.558 353 HG LEU 43 HG LEU 43 5.213 -6.244 -0.521 354 1HD1 LEU 43 2HD1 LEU 43 4.962 -3.955 -1.474 355 2HD1 LEU 43 3HD1 LEU 43 3.277 -4.322 -1.867 356 3HD1 LEU 43 1HD1 LEU 43 3.832 -4.328 -0.186 357 1HD2 LEU 43 1HD2 LEU 43 2.669 -7.082 -1.891 358 2HD2 LEU 43 2HD2 LEU 43 3.623 -7.897 -0.655 359 3HD2 LEU 43 3HD2 LEU 43 2.660 -6.490 -0.215 360 H GLU 44 H GLU 44 3.921 -3.268 -4.385 361 HA GLU 44 HA GLU 44 6.763 -2.372 -4.451 362 1HB GLU 44 1HB GLU 44 5.867 -2.726 -6.732 363 2HB GLU 44 2HB GLU 44 4.748 -1.367 -6.435 364 1HG GLU 44 1HG GLU 44 6.598 0.104 -5.933 365 2HG GLU 44 2HG GLU 44 7.743 -1.192 -5.822 366 H PHE 45 H PHE 45 7.171 -1.102 -2.935 367 HA PHE 45 HA PHE 45 5.160 0.564 -1.624 368 1HB PHE 45 1HB PHE 45 8.141 0.232 -1.097 369 2HB PHE 45 2HB PHE 45 6.983 1.054 -0.063 370 HD1 PHE 45 2HD PHE 45 5.067 -0.302 0.986 371 HD2 PHE 45 1HD PHE 45 8.456 -2.150 -0.938 372 HE1 PHE 45 2HE PHE 45 4.507 -2.464 2.069 373 HE2 PHE 45 1HE PHE 45 7.903 -4.296 0.167 374 HZ PHE 45 HZ PHE 45 5.951 -4.466 1.668 375 H VAL 46 H VAL 46 4.645 2.384 -2.697 376 HA VAL 46 HA VAL 46 6.516 3.760 -4.515 377 HB VAL 46 HB VAL 46 3.530 4.112 -4.036 378 1HG1 VAL 46 2HG1 VAL 46 4.879 6.105 -4.919 379 2HG1 VAL 46 3HG1 VAL 46 5.238 5.133 -6.352 380 3HG1 VAL 46 1HG1 VAL 46 3.558 5.573 -5.921 381 1HG2 VAL 46 1HG2 VAL 46 4.969 2.667 -6.311 382 2HG2 VAL 46 2HG2 VAL 46 3.965 1.908 -5.062 383 3HG2 VAL 46 3HG2 VAL 46 3.222 3.012 -6.217 384 H ASP 47 H ASP 47 7.524 5.569 -3.668 385 HA ASP 47 HA ASP 47 6.800 6.501 -1.008 386 1HB ASP 47 1HB ASP 47 9.104 6.147 -2.050 387 2HB ASP 47 2HB ASP 47 8.848 7.669 -2.883 388 H ILE 48 H ILE 48 5.491 8.203 -0.507 389 HA ILE 48 HA ILE 48 4.165 9.821 -2.517 390 HB ILE 48 HB ILE 48 3.323 11.166 -0.714 391 1HG1 ILE 48 1HG1 ILE 48 5.123 9.652 1.209 392 2HG1 ILE 48 2HG1 ILE 48 5.285 11.330 0.739 393 1HG2 ILE 48 1HG2 ILE 48 2.400 8.809 -1.246 394 2HG2 ILE 48 2HG2 ILE 48 3.163 8.276 0.245 395 3HG2 ILE 48 3HG2 ILE 48 1.909 9.525 0.297 396 1HD1 ILE 48 2HD1 ILE 48 3.062 11.837 1.726 397 2HD1 ILE 48 3HD1 ILE 48 2.976 10.162 2.325 398 3HD1 ILE 48 1HD1 ILE 48 4.252 11.242 2.900 399 H THR 49 H THR 49 7.260 9.986 -0.956 400 HA THR 49 HA THR 49 7.803 12.624 -2.143 401 HB THR 49 HB THR 49 7.072 12.806 0.194 402 HG1 THR 49 HG1 THR 49 9.675 13.610 -0.453 403 1HG2 THR 49 3HG2 THR 49 7.882 10.772 1.203 404 2HG2 THR 49 1HG2 THR 49 9.560 11.316 1.024 405 3HG2 THR 49 2HG2 THR 49 8.440 12.205 2.078 406 H ALA 50 H ALA 50 8.214 10.372 -3.446 407 HA ALA 50 HA ALA 50 10.829 9.223 -3.324 408 1HB ALA 50 2HB ALA 50 9.014 8.413 -4.894 409 2HB ALA 50 3HB ALA 50 9.178 9.925 -5.799 410 3HB ALA 50 1HB ALA 50 10.539 8.797 -5.706 411 H THR 51 H THR 51 9.404 12.058 -4.882 412 HA THR 51 HA THR 51 12.005 13.501 -4.885 413 HB THR 51 HB THR 51 11.370 14.295 -7.174 414 HG1 THR 51 HG1 THR 51 9.421 13.929 -7.708 415 1HG2 THR 51 3HG2 THR 51 12.967 12.447 -6.940 416 2HG2 THR 51 1HG2 THR 51 11.633 11.274 -7.040 417 3HG2 THR 51 2HG2 THR 51 12.000 12.326 -8.416 418 H ASN 52 H ASN 52 8.462 13.814 -5.386 419 HA ASN 52 HA ASN 52 8.163 16.136 -3.707 420 1HB ASN 52 1HB ASN 52 7.577 17.725 -5.556 421 2HB ASN 52 2HB ASN 52 9.259 17.282 -5.519 422 1HD2 ASN 52 2HD2 ASN 52 7.228 16.669 -8.929 423 2HD2 ASN 52 1HD2 ASN 52 6.448 17.391 -7.530 424 H HIS 53 H HIS 53 5.769 17.109 -5.124 425 HA HIS 53 HA HIS 53 3.590 16.820 -5.139 426 1HB HIS 53 1HB HIS 53 4.446 14.221 -6.395 427 2HB HIS 53 2HB HIS 53 2.759 14.496 -6.057 428 HD1 HIS 53 1HD HIS 53 1.568 16.774 -7.345 429 HD2 HIS 53 2HD HIS 53 5.206 15.090 -8.709 430 HE1 HIS 53 1HE HIS 53 1.859 17.560 -9.654 431 H THR 54 H THR 54 5.161 14.996 -2.730 432 HA THR 54 HA THR 54 3.407 13.339 -1.647 433 HB THR 54 HB THR 54 5.045 13.390 -0.240 434 HG1 THR 54 HG1 THR 54 3.325 15.195 1.067 435 1HG2 THR 54 2HG2 THR 54 5.277 16.361 -0.344 436 2HG2 THR 54 3HG2 THR 54 6.324 15.268 0.603 437 3HG2 THR 54 1HG2 THR 54 6.314 15.149 -1.163 438 H ASN 55 H ASN 55 3.222 16.680 -0.752 439 HA ASN 55 HA ASN 55 0.784 16.692 0.628 440 1HB ASN 55 1HB ASN 55 2.372 18.627 0.363 441 2HB ASN 55 2HB ASN 55 1.629 18.954 -1.210 442 1HD2 ASN 55 2HD2 ASN 55 -0.197 21.241 0.941 443 2HD2 ASN 55 1HD2 ASN 55 1.335 21.103 0.144 444 H GLU 56 H GLU 56 1.062 17.202 -2.945 445 HA GLU 56 HA GLU 56 -1.684 17.240 -3.501 446 1HB GLU 56 1HB GLU 56 0.841 17.423 -4.869 447 2HB GLU 56 2HB GLU 56 0.029 16.084 -5.616 448 1HG GLU 56 1HG GLU 56 -1.923 18.178 -5.369 449 2HG GLU 56 2HG GLU 56 -0.425 18.925 -5.923 450 H ILE 57 H ILE 57 0.510 14.566 -3.007 451 HA ILE 57 HA ILE 57 -1.202 12.476 -4.145 452 HB ILE 57 HB ILE 57 1.508 12.708 -2.801 453 1HG1 ILE 57 1HG1 ILE 57 0.709 11.241 -5.342 454 2HG1 ILE 57 2HG1 ILE 57 1.060 12.966 -5.298 455 1HG2 ILE 57 2HG2 ILE 57 -0.001 10.097 -3.100 456 2HG2 ILE 57 3HG2 ILE 57 1.750 10.212 -2.894 457 3HG2 ILE 57 1HG2 ILE 57 0.677 10.798 -1.622 458 1HD1 ILE 57 1HD1 ILE 57 3.329 12.519 -4.413 459 2HD1 ILE 57 2HD1 ILE 57 3.035 10.785 -4.592 460 3HD1 ILE 57 3HD1 ILE 57 3.039 11.827 -6.020 461 H GLN 58 H GLN 58 -0.483 13.912 -1.037 462 HA GLN 58 HA GLN 58 -1.711 11.964 0.673 463 1HB GLN 58 1HB GLN 58 -0.556 14.777 0.830 464 2HB GLN 58 2HB GLN 58 -1.614 14.251 2.109 465 1HG GLN 58 1HG GLN 58 0.793 12.609 1.275 466 2HG GLN 58 2HG GLN 58 0.871 13.881 2.488 467 1HE2 GLN 58 2HE2 GLN 58 -0.859 10.344 3.471 468 2HE2 GLN 58 1HE2 GLN 58 0.216 10.542 2.108 469 H ASP 59 H ASP 59 -2.675 15.216 -0.491 470 HA ASP 59 HA ASP 59 -5.358 15.447 0.246 471 1HB ASP 59 1HB ASP 59 -3.915 17.022 -1.090 472 2HB ASP 59 2HB ASP 59 -4.051 16.005 -2.468 473 H TYR 60 H TYR 60 -4.050 14.113 -2.634 474 HA TYR 60 HA TYR 60 -6.380 12.987 -3.725 475 1HB TYR 60 1HB TYR 60 -4.157 13.283 -4.850 476 2HB TYR 60 2HB TYR 60 -3.648 11.738 -4.179 477 HD1 TYR 60 2HD TYR 60 -6.285 13.410 -6.239 478 HD2 TYR 60 1HD TYR 60 -4.400 9.680 -5.199 479 HE1 TYR 60 2HE TYR 60 -7.605 12.287 -7.963 480 HE2 TYR 60 1HE TYR 60 -5.717 8.526 -6.971 481 HH TYR 60 HH TYR 60 -8.323 10.205 -8.712 482 H LEU 61 H LEU 61 -4.050 11.273 -1.577 483 HA LEU 61 HA LEU 61 -5.368 8.740 -1.637 484 1HB LEU 61 1HB LEU 61 -3.637 10.140 0.422 485 2HB LEU 61 2HB LEU 61 -4.363 8.592 0.787 486 HG LEU 61 HG LEU 61 -2.565 9.052 -1.633 487 1HD1 LEU 61 3HD1 LEU 61 -1.871 8.237 1.219 488 2HD1 LEU 61 1HD1 LEU 61 -0.819 7.909 -0.187 489 3HD1 LEU 61 2HD1 LEU 61 -1.233 9.567 0.255 490 1HD2 LEU 61 3HD2 LEU 61 -3.811 6.618 -0.336 491 2HD2 LEU 61 1HD2 LEU 61 -3.856 7.146 -2.018 492 3HD2 LEU 61 2HD2 LEU 61 -2.346 6.516 -1.358 493 H GLN 62 H GLN 62 -5.929 11.655 0.318 494 HA GLN 62 HA GLN 62 -7.978 10.651 1.997 495 1HB GLN 62 1HB GLN 62 -6.630 12.991 1.776 496 2HB GLN 62 2HB GLN 62 -8.109 13.488 0.988 497 1HG GLN 62 1HG GLN 62 -9.400 13.266 2.916 498 2HG GLN 62 2HG GLN 62 -8.289 12.106 3.657 499 1HE2 GLN 62 2HE2 GLN 62 -7.141 14.777 5.689 500 2HE2 GLN 62 1HE2 GLN 62 -8.111 13.331 5.634 501 H GLN 63 H GLN 63 -8.162 12.294 -1.177 502 HA GLN 63 HA GLN 63 -10.946 12.106 -1.507 503 1HB GLN 63 1HB GLN 63 -8.896 13.305 -2.824 504 2HB GLN 63 2HB GLN 63 -9.157 11.980 -3.932 505 1HG GLN 63 1HG GLN 63 -11.405 12.659 -4.393 506 2HG GLN 63 2HG GLN 63 -11.485 13.695 -2.964 507 1HE2 GLN 63 2HE2 GLN 63 -9.566 16.417 -4.375 508 2HE2 GLN 63 1HE2 GLN 63 -9.863 15.531 -2.886 509 H LEU 64 H LEU 64 -8.401 9.894 -2.618 510 HA LEU 64 HA LEU 64 -10.210 8.214 -4.097 511 1HB LEU 64 1HB LEU 64 -8.019 8.341 -4.915 512 2HB LEU 64 2HB LEU 64 -7.319 8.155 -3.318 513 HG LEU 64 HG LEU 64 -7.924 5.749 -3.280 514 1HD1 LEU 64 2HD1 LEU 64 -9.809 5.796 -4.930 515 2HD1 LEU 64 3HD1 LEU 64 -8.658 6.208 -6.212 516 3HD1 LEU 64 1HD1 LEU 64 -8.541 4.640 -5.381 517 1HD2 LEU 64 1HD2 LEU 64 -5.693 6.552 -3.991 518 2HD2 LEU 64 2HD2 LEU 64 -6.176 5.108 -4.901 519 3HD2 LEU 64 3HD2 LEU 64 -6.278 6.700 -5.662 520 H THR 65 H THR 65 -8.818 7.967 -0.781 521 HA THR 65 HA THR 65 -10.223 5.347 -0.523 522 HB THR 65 HB THR 65 -8.650 4.756 1.158 523 HG1 THR 65 HG1 THR 65 -7.484 7.338 0.755 524 1HG2 THR 65 2HG2 THR 65 -8.001 4.407 -1.222 525 2HG2 THR 65 3HG2 THR 65 -7.091 5.944 -1.156 526 3HG2 THR 65 1HG2 THR 65 -6.628 4.585 -0.117 527 H GLY 66 H GLY 66 -10.097 8.564 0.987 528 1HA GLY 66 1HA GLY 66 -11.895 9.307 2.325 529 2HA GLY 66 2HA GLY 66 -12.083 7.690 3.014 530 H ALA 67 H ALA 67 -8.738 8.066 2.857 531 HA ALA 67 HA ALA 67 -8.472 10.010 4.997 532 1HB ALA 67 3HB ALA 67 -8.876 7.912 6.266 533 2HB ALA 67 1HB ALA 67 -7.535 7.138 5.391 534 3HB ALA 67 2HB ALA 67 -7.212 8.503 6.477 535 H ARG 68 H ARG 68 -6.347 10.814 5.100 536 HA ARG 68 HA ARG 68 -4.748 10.288 2.642 537 1HB ARG 68 1HB ARG 68 -3.501 12.237 3.134 538 2HB ARG 68 2HB ARG 68 -5.201 12.625 3.344 539 1HG ARG 68 1HG ARG 68 -4.810 12.275 5.869 540 2HG ARG 68 2HG ARG 68 -3.084 12.269 5.496 541 1HD ARG 68 1HD ARG 68 -5.091 14.488 4.910 542 2HD ARG 68 2HD ARG 68 -3.876 14.503 6.169 543 HE ARG 68 HE ARG 68 -2.172 14.380 4.307 544 1HH1 ARG 68 2HH2 ARG 68 -5.365 15.759 3.455 545 2HH1 ARG 68 1HH2 ARG 68 -4.742 17.227 2.835 546 1HH2 ARG 68 2HH1 ARG 68 -1.319 16.331 3.408 547 2HH2 ARG 68 1HH1 ARG 68 -2.359 17.446 2.578 548 H THR 69 H THR 69 -4.784 9.188 5.951 549 HA THR 69 HA THR 69 -2.068 9.530 6.506 550 HB THR 69 HB THR 69 -2.612 7.787 8.320 551 HG1 THR 69 HG1 THR 69 -4.282 6.669 7.537 552 1HG2 THR 69 2HG2 THR 69 -2.813 10.234 8.656 553 2HG2 THR 69 3HG2 THR 69 -4.475 10.199 8.027 554 3HG2 THR 69 1HG2 THR 69 -4.073 9.354 9.535 555 H VAL 70 H VAL 70 -0.290 8.344 6.244 556 HA VAL 70 HA VAL 70 -0.456 6.117 4.351 557 HB VAL 70 HB VAL 70 2.187 6.463 4.596 558 1HG1 VAL 70 2HG1 VAL 70 0.327 8.263 3.004 559 2HG1 VAL 70 3HG1 VAL 70 2.055 7.978 2.661 560 3HG1 VAL 70 1HG1 VAL 70 0.896 6.654 2.532 561 1HG2 VAL 70 3HG2 VAL 70 1.973 8.243 6.368 562 2HG2 VAL 70 1HG2 VAL 70 2.883 8.722 4.931 563 3HG2 VAL 70 2HG2 VAL 70 1.220 9.300 5.147 564 HA PRO 71 HA PRO 71 1.421 4.546 3.805 565 1HB PRO 71 1HB PRO 71 1.386 1.827 3.687 566 2HB PRO 71 2HB PRO 71 2.756 2.727 4.391 567 1HG PRO 71 1HG PRO 71 0.458 1.433 5.814 568 2HG PRO 71 2HG PRO 71 2.187 1.335 6.228 569 1HD PRO 71 1HD PRO 71 0.482 3.073 7.492 570 2HD PRO 71 2HD PRO 71 2.196 3.474 7.195 571 H ARG 72 H ARG 72 0.090 3.559 2.010 572 HA ARG 72 HA ARG 72 -2.693 2.753 2.816 573 1HB ARG 72 1HB ARG 72 -1.925 4.612 0.532 574 2HB ARG 72 2HB ARG 72 -3.512 3.887 0.723 575 1HG ARG 72 1HG ARG 72 -2.463 5.503 3.039 576 2HG ARG 72 2HG ARG 72 -2.812 6.353 1.580 577 1HD ARG 72 1HD ARG 72 -4.850 6.612 2.451 578 2HD ARG 72 2HD ARG 72 -5.155 5.029 1.725 579 HE ARG 72 HE ARG 72 -4.027 4.980 4.398 580 1HH1 ARG 72 2HH2 ARG 72 -7.123 5.600 2.786 581 2HH1 ARG 72 1HH2 ARG 72 -8.111 4.914 4.028 582 1HH2 ARG 72 2HH1 ARG 72 -5.291 4.021 6.035 583 2HH2 ARG 72 1HH1 ARG 72 -7.033 4.044 6.020 584 H VAL 73 H VAL 73 -2.356 0.588 2.529 585 HA VAL 73 HA VAL 73 -0.882 -0.447 0.191 586 HB VAL 73 HB VAL 73 -2.541 -1.699 2.405 587 1HG1 VAL 73 1HG1 VAL 73 -1.025 -3.153 0.173 588 2HG1 VAL 73 2HG1 VAL 73 -1.763 -3.921 1.592 589 3HG1 VAL 73 3HG1 VAL 73 -2.771 -3.116 0.404 590 1HG2 VAL 73 1HG2 VAL 73 -0.352 -0.928 3.223 591 2HG2 VAL 73 2HG2 VAL 73 -0.449 -2.687 3.192 592 3HG2 VAL 73 3HG2 VAL 73 0.455 -1.867 1.941 593 H PHE 74 H PHE 74 -1.876 -0.832 -1.746 594 HA PHE 74 HA PHE 74 -4.812 -1.122 -1.848 595 1HB PHE 74 1HB PHE 74 -2.861 -0.137 -3.960 596 2HB PHE 74 2HB PHE 74 -4.514 -0.621 -4.277 597 HD1 PHE 74 2HD PHE 74 -2.460 1.799 -2.287 598 HD2 PHE 74 1HD PHE 74 -6.331 0.899 -3.977 599 HE1 PHE 74 2HE PHE 74 -3.265 4.095 -1.727 600 HE2 PHE 74 1HE PHE 74 -7.087 3.186 -3.463 601 HZ PHE 74 HZ PHE 74 -5.524 4.799 -2.364 602 H ILE 75 H ILE 75 -5.177 -3.231 -1.780 603 HA ILE 75 HA ILE 75 -3.376 -5.161 -3.149 604 HB ILE 75 HB ILE 75 -5.122 -5.316 -0.776 605 1HG1 ILE 75 1HG1 ILE 75 -3.772 -7.480 -0.511 606 2HG1 ILE 75 2HG1 ILE 75 -2.925 -6.989 -2.001 607 1HG2 ILE 75 3HG2 ILE 75 -5.442 -7.412 -2.975 608 2HG2 ILE 75 1HG2 ILE 75 -5.824 -7.708 -1.282 609 3HG2 ILE 75 2HG2 ILE 75 -6.724 -6.485 -2.170 610 1HD1 ILE 75 2HD1 ILE 75 -2.285 -4.917 -0.813 611 2HD1 ILE 75 3HD1 ILE 75 -2.991 -5.608 0.674 612 3HD1 ILE 75 1HD1 ILE 75 -1.609 -6.389 -0.100 613 H GLY 76 H GLY 76 -3.745 -4.966 -5.269 614 1HA GLY 76 1HA GLY 76 -4.788 -4.771 -7.269 615 2HA GLY 76 2HA GLY 76 -5.911 -5.947 -6.585 616 H LYS 77 H LYS 77 -5.317 -2.357 -6.738 617 HA LYS 77 HA LYS 77 -6.555 -0.634 -6.356 618 1HB LYS 77 1HB LYS 77 -7.029 -1.720 -8.765 619 2HB LYS 77 2HB LYS 77 -8.665 -1.854 -8.099 620 1HG LYS 77 1HG LYS 77 -8.155 0.649 -7.313 621 2HG LYS 77 2HG LYS 77 -6.927 0.577 -8.571 622 1HD LYS 77 1HD LYS 77 -8.495 0.320 -10.295 623 2HD LYS 77 2HD LYS 77 -9.789 -0.238 -9.233 624 1HE LYS 77 1HE LYS 77 -8.708 2.583 -8.974 625 2HE LYS 77 2HE LYS 77 -9.838 2.164 -10.261 626 1HZ LYS 77 1HZ LYS 77 -11.416 1.424 -8.572 627 2HZ LYS 77 2HZ LYS 77 -10.421 1.949 -7.360 628 3HZ LYS 77 3HZ LYS 77 -11.045 2.999 -8.431 629 H ASP 78 H ASP 78 -7.216 -2.737 -4.227 630 HA ASP 78 HA ASP 78 -9.395 -0.931 -3.331 631 1HB ASP 78 1HB ASP 78 -10.356 -3.216 -3.644 632 2HB ASP 78 2HB ASP 78 -9.187 -3.825 -2.458 633 H CYS 79 H CYS 79 -8.865 0.161 -1.526 634 HA CYS 79 HA CYS 79 -6.175 -0.238 -0.482 635 1HB CYS 79 1HB CYS 79 -7.168 2.049 -0.861 636 2HB CYS 79 2HB CYS 79 -8.260 1.744 0.503 637 HG CYS 79 HG CYS 79 -4.989 1.297 0.607 638 H ILE 80 H ILE 80 -5.687 -1.310 1.588 639 HA ILE 80 HA ILE 80 -8.018 -2.295 3.078 640 HB ILE 80 HB ILE 80 -6.644 -4.143 3.576 641 1HG1 ILE 80 1HG1 ILE 80 -4.614 -4.674 2.195 642 2HG1 ILE 80 2HG1 ILE 80 -4.548 -2.971 1.731 643 1HG2 ILE 80 3HG2 ILE 80 -8.119 -4.180 1.593 644 2HG2 ILE 80 1HG2 ILE 80 -6.754 -3.715 0.568 645 3HG2 ILE 80 2HG2 ILE 80 -6.732 -5.263 1.428 646 1HD1 ILE 80 1HD1 ILE 80 -4.504 -3.936 4.618 647 2HD1 ILE 80 2HD1 ILE 80 -3.053 -3.718 3.634 648 3HD1 ILE 80 3HD1 ILE 80 -4.083 -2.323 4.014 649 H GLY 81 H GLY 81 -6.272 0.319 3.265 650 1HA GLY 81 1HA GLY 81 -5.936 1.678 5.138 651 2HA GLY 81 2HA GLY 81 -6.061 0.275 6.212 652 H GLY 82 H GLY 82 -4.085 0.722 7.266 653 1HA GLY 82 1HA GLY 82 -1.647 -0.206 5.988 654 2HA GLY 82 2HA GLY 82 -1.750 1.543 5.982 655 H CYS 83 H CYS 83 -3.248 0.876 9.036 656 HA CYS 83 HA CYS 83 -1.064 0.036 10.415 657 1HB CYS 83 1HB CYS 83 -0.473 1.980 11.605 658 2HB CYS 83 2HB CYS 83 -0.548 2.595 9.968 659 HG CYS 83 HG CYS 83 -1.472 4.259 11.865 660 H SER 84 H SER 84 -1.997 -0.396 12.535 661 HA SER 84 HA SER 84 -3.506 -1.440 13.577 662 1HB SER 84 1HB SER 84 -4.484 0.789 14.025 663 2HB SER 84 2HB SER 84 -5.561 0.601 12.633 664 HG SER 84 HG SER 84 -6.762 -0.771 13.668 665 H ASP 85 H ASP 85 -5.580 -0.659 10.773 666 HA ASP 85 HA ASP 85 -6.872 -3.136 10.582 667 1HB ASP 85 1HB ASP 85 -6.372 -0.814 8.760 668 2HB ASP 85 2HB ASP 85 -6.694 -2.323 7.939 669 H LEU 86 H LEU 86 -4.043 -2.009 8.913 670 HA LEU 86 HA LEU 86 -3.281 -4.120 7.334 671 1HB LEU 86 1HB LEU 86 -2.371 -1.765 7.626 672 2HB LEU 86 2HB LEU 86 -1.428 -2.327 8.982 673 HG LEU 86 HG LEU 86 -0.171 -2.030 6.886 674 1HD1 LEU 86 1HD1 LEU 86 0.595 -3.655 8.610 675 2HD1 LEU 86 2HD1 LEU 86 -0.158 -4.952 7.645 676 3HD1 LEU 86 3HD1 LEU 86 1.156 -3.986 6.963 677 1HD2 LEU 86 3HD2 LEU 86 -1.809 -4.350 5.790 678 2HD2 LEU 86 1HD2 LEU 86 -1.809 -2.650 5.232 679 3HD2 LEU 86 2HD2 LEU 86 -0.356 -3.672 5.070 680 H VAL 87 H VAL 87 -2.578 -3.745 10.911 681 HA VAL 87 HA VAL 87 -0.866 -6.001 11.028 682 HB VAL 87 HB VAL 87 -2.290 -4.196 13.055 683 1HG1 VAL 87 1HG1 VAL 87 -0.290 -6.407 13.473 684 2HG1 VAL 87 2HG1 VAL 87 -0.700 -5.157 14.686 685 3HG1 VAL 87 3HG1 VAL 87 -1.938 -6.295 14.120 686 1HG2 VAL 87 1HG2 VAL 87 0.578 -4.326 12.039 687 2HG2 VAL 87 2HG2 VAL 87 -0.589 -3.018 11.749 688 3HG2 VAL 87 3HG2 VAL 87 0.009 -3.310 13.380 689 H SER 88 H SER 88 -4.405 -5.368 11.831 690 HA SER 88 HA SER 88 -4.897 -8.025 12.791 691 1HB SER 88 1HB SER 88 -6.616 -5.832 11.730 692 2HB SER 88 2HB SER 88 -7.159 -7.441 11.249 693 HG SER 88 HG SER 88 -8.084 -7.300 13.108 694 H LEU 89 H LEU 89 -5.006 -6.619 9.492 695 HA LEU 89 HA LEU 89 -6.031 -8.966 8.294 696 1HB LEU 89 1HB LEU 89 -4.338 -6.759 7.088 697 2HB LEU 89 2HB LEU 89 -5.248 -7.944 6.161 698 HG LEU 89 HG LEU 89 -6.714 -6.132 8.090 699 1HD1 LEU 89 2HD1 LEU 89 -6.046 -5.641 5.171 700 2HD1 LEU 89 3HD1 LEU 89 -7.171 -4.668 6.149 701 3HD1 LEU 89 1HD1 LEU 89 -5.459 -4.691 6.561 702 1HD2 LEU 89 1HD2 LEU 89 -7.549 -7.738 5.668 703 2HD2 LEU 89 2HD2 LEU 89 -8.040 -7.962 7.378 704 3HD2 LEU 89 3HD2 LEU 89 -8.569 -6.547 6.480 705 H GLN 90 H GLN 90 -2.612 -8.074 9.096 706 HA GLN 90 HA GLN 90 -1.571 -10.461 7.828 707 1HB GLN 90 1HB GLN 90 -0.125 -8.475 8.430 708 2HB GLN 90 2HB GLN 90 -0.365 -8.859 10.135 709 1HG GLN 90 1HG GLN 90 0.591 -11.196 9.641 710 2HG GLN 90 2HG GLN 90 1.002 -10.596 8.040 711 1HE2 GLN 90 2HE2 GLN 90 4.204 -9.757 9.308 712 2HE2 GLN 90 1HE2 GLN 90 3.236 -10.278 7.986 713 H GLN 91 H GLN 91 -2.327 -9.632 11.293 714 HA GLN 91 HA GLN 91 -1.452 -12.034 12.370 715 1HB GLN 91 1HB GLN 91 -2.492 -9.490 13.204 716 2HB GLN 91 2HB GLN 91 -3.536 -10.651 13.926 717 1HG GLN 91 1HG GLN 91 -0.717 -11.395 14.288 718 2HG GLN 91 2HG GLN 91 -1.002 -9.733 14.758 719 1HE2 GLN 91 2HE2 GLN 91 -2.132 -12.640 17.304 720 2HE2 GLN 91 1HE2 GLN 91 -1.141 -12.918 15.882 721 H SER 92 H SER 92 -4.788 -10.946 11.763 722 HA SER 92 HA SER 92 -6.123 -13.421 12.412 723 1HB SER 92 1HB SER 92 -7.068 -11.123 12.701 724 2HB SER 92 2HB SER 92 -7.025 -10.899 10.946 725 HG SER 92 HG SER 92 -8.610 -12.219 10.640 726 H GLY 93 H GLY 93 -4.373 -12.201 9.655 727 1HA GLY 93 1HA GLY 93 -3.661 -13.479 7.895 728 2HA GLY 93 2HA GLY 93 -4.868 -14.708 8.279 729 H GLU 94 H GLU 94 -6.583 -11.669 8.070 730 HA GLU 94 HA GLU 94 -7.925 -12.571 5.783 731 1HB GLU 94 1HB GLU 94 -7.774 -10.160 7.569 732 2HB GLU 94 2HB GLU 94 -8.296 -9.855 5.933 733 1HG GLU 94 1HG GLU 94 -10.287 -10.209 6.991 734 2HG GLU 94 2HG GLU 94 -9.968 -11.741 6.185 735 H LEU 95 H LEU 95 -5.076 -10.536 6.155 736 HA LEU 95 HA LEU 95 -5.023 -9.225 3.639 737 1HB LEU 95 1HB LEU 95 -3.452 -8.950 5.771 738 2HB LEU 95 2HB LEU 95 -2.520 -10.221 5.068 739 HG LEU 95 HG LEU 95 -1.948 -8.825 3.165 740 1HD1 LEU 95 3HD1 LEU 95 -3.887 -6.762 4.308 741 2HD1 LEU 95 1HD1 LEU 95 -2.684 -6.430 3.046 742 3HD1 LEU 95 2HD1 LEU 95 -3.986 -7.566 2.719 743 1HD2 LEU 95 1HD2 LEU 95 -1.810 -7.330 5.835 744 2HD2 LEU 95 2HD2 LEU 95 -0.644 -8.521 5.223 745 3HD2 LEU 95 3HD2 LEU 95 -0.822 -6.951 4.425 746 H LEU 96 H LEU 96 -4.092 -12.458 4.688 747 HA LEU 96 HA LEU 96 -2.375 -13.087 2.494 748 1HB LEU 96 1HB LEU 96 -2.645 -14.124 4.924 749 2HB LEU 96 2HB LEU 96 -3.927 -15.076 4.213 750 HG LEU 96 HG LEU 96 -1.953 -16.386 4.289 751 1HD1 LEU 96 1HD1 LEU 96 -3.315 -16.624 2.222 752 2HD1 LEU 96 2HD1 LEU 96 -2.229 -15.502 1.400 753 3HD1 LEU 96 3HD1 LEU 96 -1.601 -17.035 2.005 754 1HD2 LEU 96 3HD2 LEU 96 -0.308 -14.593 4.502 755 2HD2 LEU 96 1HD2 LEU 96 0.179 -15.773 3.274 756 3HD2 LEU 96 2HD2 LEU 96 -0.473 -14.196 2.779 757 H THR 97 H THR 97 -5.773 -14.115 3.271 758 HA THR 97 HA THR 97 -6.317 -15.252 0.758 759 HB THR 97 HB THR 97 -8.237 -13.816 2.648 760 HG1 THR 97 HG1 THR 97 -8.253 -15.955 3.690 761 1HG2 THR 97 3HG2 THR 97 -9.280 -14.720 0.570 762 2HG2 THR 97 1HG2 THR 97 -8.590 -16.317 0.926 763 3HG2 THR 97 2HG2 THR 97 -9.816 -15.614 2.002 764 H ARG 98 H ARG 98 -6.714 -11.853 1.902 765 HA ARG 98 HA ARG 98 -7.983 -10.830 -0.437 766 1HB ARG 98 1HB ARG 98 -6.627 -9.791 1.970 767 2HB ARG 98 2HB ARG 98 -6.279 -8.788 0.607 768 1HG ARG 98 1HG ARG 98 -9.146 -9.607 0.962 769 2HG ARG 98 2HG ARG 98 -8.467 -8.520 2.176 770 1HD ARG 98 1HD ARG 98 -8.195 -6.758 0.716 771 2HD ARG 98 2HD ARG 98 -7.943 -7.796 -0.675 772 HE ARG 98 HE ARG 98 -9.984 -7.103 -1.213 773 1HH1 ARG 98 2HH2 ARG 98 -10.255 -7.970 2.223 774 2HH1 ARG 98 1HH2 ARG 98 -11.968 -7.941 2.286 775 1HH2 ARG 98 2HH1 ARG 98 -12.243 -6.753 -1.071 776 2HH2 ARG 98 1HH1 ARG 98 -13.128 -7.237 0.342 777 H LEU 99 H LEU 99 -4.524 -11.247 0.315 778 HA LEU 99 HA LEU 99 -3.573 -10.101 -2.160 779 1HB LEU 99 1HB LEU 99 -2.505 -11.919 0.032 780 2HB LEU 99 2HB LEU 99 -1.534 -11.549 -1.376 781 HG LEU 99 HG LEU 99 -2.552 -9.323 0.390 782 1HD1 LEU 99 1HD1 LEU 99 -0.011 -11.005 0.665 783 2HD1 LEU 99 2HD1 LEU 99 -0.301 -9.457 1.498 784 3HD1 LEU 99 3HD1 LEU 99 -1.311 -10.865 1.853 785 1HD2 LEU 99 3HD2 LEU 99 -0.244 -9.715 -1.562 786 2HD2 LEU 99 1HD2 LEU 99 -1.694 -8.771 -1.846 787 3HD2 LEU 99 2HD2 LEU 99 -0.522 -8.253 -0.605 788 H LYS 100 H LYS 100 -4.027 -13.541 -1.086 789 HA LYS 100 HA LYS 100 -3.397 -14.637 -3.644 790 1HB LYS 100 1HB LYS 100 -5.105 -15.595 -1.312 791 2HB LYS 100 2HB LYS 100 -5.080 -16.494 -2.814 792 1HG LYS 100 1HG LYS 100 -2.389 -16.032 -2.533 793 2HG LYS 100 2HG LYS 100 -2.887 -15.973 -0.854 794 1HD LYS 100 1HD LYS 100 -2.326 -18.204 -1.081 795 2HD LYS 100 2HD LYS 100 -4.065 -18.302 -1.403 796 1HE LYS 100 1HE LYS 100 -3.592 -18.256 -3.846 797 2HE LYS 100 2HE LYS 100 -1.876 -18.010 -3.524 798 1HZ LYS 100 1HZ LYS 100 -1.820 -20.194 -2.471 799 2HZ LYS 100 2HZ LYS 100 -3.416 -20.426 -2.853 800 3HZ LYS 100 3HZ LYS 100 -2.269 -20.267 -4.039 801 H GLN 101 H GLN 101 -6.450 -13.208 -2.570 802 HA GLN 101 HA GLN 101 -8.040 -13.933 -4.700 803 1HB GLN 101 1HB GLN 101 -8.291 -12.261 -2.523 804 2HB GLN 101 2HB GLN 101 -8.131 -11.079 -3.796 805 1HG GLN 101 1HG GLN 101 -10.421 -11.395 -3.709 806 2HG GLN 101 2HG GLN 101 -10.002 -12.552 -4.982 807 1HE2 GLN 101 2HE2 GLN 101 -12.036 -13.911 -1.896 808 2HE2 GLN 101 1HE2 GLN 101 -11.981 -12.251 -2.453 809 H ILE 102 H ILE 102 -5.249 -11.704 -4.754 810 HA ILE 102 HA ILE 102 -5.879 -11.096 -7.596 811 HB ILE 102 HB ILE 102 -5.007 -8.953 -7.318 812 1HG1 ILE 102 1HG1 ILE 102 -4.497 -8.755 -4.446 813 2HG1 ILE 102 2HG1 ILE 102 -3.532 -10.003 -5.121 814 1HG2 ILE 102 1HG2 ILE 102 -7.310 -9.321 -6.441 815 2HG2 ILE 102 2HG2 ILE 102 -6.630 -9.424 -4.803 816 3HG2 ILE 102 3HG2 ILE 102 -6.460 -7.921 -5.712 817 1HD1 ILE 102 3HD1 ILE 102 -3.660 -7.252 -6.368 818 2HD1 ILE 102 1HD1 ILE 102 -2.488 -7.704 -5.124 819 3HD1 ILE 102 2HD1 ILE 102 -2.468 -8.540 -6.684 820 H GLY 103 H GLY 103 -4.384 -13.441 -6.461 821 1HA GLY 103 1HA GLY 103 -2.944 -14.748 -7.697 822 2HA GLY 103 2HA GLY 103 -2.480 -13.329 -8.624 823 H ALA 104 H ALA 104 -2.059 -13.138 -5.108 824 HA ALA 104 HA ALA 104 0.769 -12.490 -5.644 825 1HB ALA 104 1HB ALA 104 -1.097 -12.523 -3.202 826 2HB ALA 104 2HB ALA 104 0.512 -11.798 -3.220 827 3HB ALA 104 3HB ALA 104 -0.813 -11.094 -4.201 828 H LEU 105 H LEU 105 -0.800 -14.628 -2.974 829 HA LEU 105 HA LEU 105 1.876 -15.321 -2.453 830 1HB LEU 105 1HB LEU 105 -0.645 -16.617 -1.439 831 2HB LEU 105 2HB LEU 105 0.924 -16.893 -0.931 832 HG LEU 105 HG LEU 105 -0.140 -15.589 0.709 833 1HD1 LEU 105 1HD1 LEU 105 2.260 -15.231 0.349 834 2HD1 LEU 105 2HD1 LEU 105 1.887 -13.821 -0.665 835 3HD1 LEU 105 3HD1 LEU 105 1.433 -13.828 1.052 836 1HD2 LEU 105 2HD2 LEU 105 -1.679 -14.245 -0.815 837 2HD2 LEU 105 3HD2 LEU 105 -0.867 -13.354 0.468 838 3HD2 LEU 105 1HD2 LEU 105 -0.257 -13.254 -1.195 839 H GLN 106 H GLN 106 2.797 -17.175 -2.617 840 HA GLN 106 HA GLN 106 2.295 -18.548 -5.130 841 1HB GLN 106 2HB GLN 106 4.475 -17.569 -4.174 842 2HB GLN 106 3HB GLN 106 4.587 -19.021 -3.179 843 1HG GLN 106 2HG GLN 106 4.875 -20.424 -5.097 844 2HG GLN 106 3HG GLN 106 4.164 -19.225 -6.181 845 1HE2 GLN 106 2HE2 GLN 106 7.163 -17.167 -6.364 846 2HE2 GLN 106 1HE2 GLN 106 5.446 -16.982 -6.072 No H/Q in entry = 846 Start of MODEL 20 1 1H ALA 2 2H ALA 2 -3.526 10.011 -7.716 2 2H ALA 2 3H ALA 2 -3.628 10.506 -6.124 3 3H ALA 2 1H ALA 2 -4.731 11.002 -7.249 4 HA ALA 2 HA ALA 2 -3.373 12.795 -6.865 5 1HB ALA 2 2HB ALA 2 -1.483 11.389 -5.973 6 2HB ALA 2 3HB ALA 2 -1.001 11.061 -7.660 7 3HB ALA 2 1HB ALA 2 -0.982 12.723 -7.030 8 H GLN 3 H GLN 3 -1.683 13.704 -8.866 9 HA GLN 3 HA GLN 3 -3.016 14.068 -11.204 10 1HB GLN 3 1HB GLN 3 -0.076 13.473 -10.706 11 2HB GLN 3 2HB GLN 3 -0.690 13.949 -12.289 12 1HG GLN 3 1HG GLN 3 -1.513 16.085 -11.317 13 2HG GLN 3 2HG GLN 3 -0.806 15.641 -9.773 14 1HE2 GLN 3 2HE2 GLN 3 1.502 17.577 -12.399 15 2HE2 GLN 3 1HE2 GLN 3 -0.206 17.414 -12.540 16 H GLU 4 H GLU 4 -0.618 11.466 -10.842 17 HA GLU 4 HA GLU 4 -1.932 9.618 -12.722 18 1HB GLU 4 1HB GLU 4 -1.016 11.313 -14.204 19 2HB GLU 4 2HB GLU 4 0.565 11.151 -13.436 20 1HG GLU 4 1HG GLU 4 0.530 9.861 -15.495 21 2HG GLU 4 2HG GLU 4 0.641 8.753 -14.124 22 H PHE 5 H PHE 5 1.307 10.511 -11.296 23 HA PHE 5 HA PHE 5 2.411 8.082 -11.500 24 1HB PHE 5 1HB PHE 5 3.558 10.157 -10.847 25 2HB PHE 5 2HB PHE 5 2.865 10.052 -9.233 26 HD1 PHE 5 1HD PHE 5 5.234 8.449 -11.625 27 HD2 PHE 5 2HD PHE 5 3.827 8.614 -7.554 28 HE1 PHE 5 1HE PHE 5 7.159 7.060 -10.897 29 HE2 PHE 5 2HE PHE 5 5.760 7.287 -6.829 30 HZ PHE 5 HZ PHE 5 7.432 6.474 -8.485 31 H VAL 6 H VAL 6 0.306 8.983 -8.832 32 HA VAL 6 HA VAL 6 0.561 6.530 -7.307 33 HB VAL 6 HB VAL 6 -1.362 8.845 -7.449 34 1HG1 VAL 6 3HG1 VAL 6 -2.957 7.020 -7.029 35 2HG1 VAL 6 1HG1 VAL 6 -1.984 6.486 -5.653 36 3HG1 VAL 6 2HG1 VAL 6 -2.767 8.070 -5.631 37 1HG2 VAL 6 3HG2 VAL 6 0.768 9.022 -6.149 38 2HG2 VAL 6 1HG2 VAL 6 -0.668 9.174 -5.121 39 3HG2 VAL 6 2HG2 VAL 6 0.243 7.667 -5.140 40 H ASN 7 H ASN 7 -1.873 7.722 -9.570 41 HA ASN 7 HA ASN 7 -3.608 5.551 -9.497 42 1HB ASN 7 1HB ASN 7 -3.288 7.561 -11.759 43 2HB ASN 7 2HB ASN 7 -4.745 6.701 -11.294 44 1HD2 ASN 7 2HD2 ASN 7 -5.123 10.163 -10.084 45 2HD2 ASN 7 1HD2 ASN 7 -5.399 9.165 -11.508 46 H CYS 8 H CYS 8 -0.952 6.312 -11.618 47 HA CYS 8 HA CYS 8 -0.993 4.443 -13.688 48 1HB CYS 8 1HB CYS 8 0.532 6.269 -13.726 49 2HB CYS 8 2HB CYS 8 1.088 5.969 -12.081 50 HG CYS 8 HG CYS 8 3.010 5.643 -13.738 51 H LYS 9 H LYS 9 0.431 4.187 -10.384 52 HA LYS 9 HA LYS 9 1.587 1.601 -10.902 53 1HB LYS 9 1HB LYS 9 1.019 3.124 -8.317 54 2HB LYS 9 2HB LYS 9 1.973 1.651 -8.386 55 1HG LYS 9 1HG LYS 9 2.729 4.119 -10.019 56 2HG LYS 9 2HG LYS 9 3.229 3.890 -8.347 57 1HD LYS 9 1HD LYS 9 4.209 1.659 -9.052 58 2HD LYS 9 2HD LYS 9 3.941 2.138 -10.733 59 1HE LYS 9 1HE LYS 9 5.563 3.729 -8.676 60 2HE LYS 9 2HE LYS 9 6.256 2.593 -9.830 61 1HZ LYS 9 2HZ LYS 9 5.440 3.953 -11.620 62 2HZ LYS 9 3HZ LYS 9 4.851 5.086 -10.546 63 3HZ LYS 9 1HZ LYS 9 6.469 4.762 -10.644 64 H ILE 10 H ILE 10 -1.671 2.496 -10.106 65 HA ILE 10 HA ILE 10 -2.303 0.095 -8.634 66 HB ILE 10 HB ILE 10 -4.158 1.938 -10.145 67 1HG1 ILE 10 1HG1 ILE 10 -2.995 3.486 -8.984 68 2HG1 ILE 10 2HG1 ILE 10 -4.669 3.341 -8.440 69 1HG2 ILE 10 1HG2 ILE 10 -5.203 -0.129 -9.438 70 2HG2 ILE 10 2HG2 ILE 10 -4.659 0.159 -7.778 71 3HG2 ILE 10 3HG2 ILE 10 -5.856 1.247 -8.533 72 1HD1 ILE 10 2HD1 ILE 10 -3.930 1.907 -6.650 73 2HD1 ILE 10 3HD1 ILE 10 -2.235 2.103 -7.226 74 3HD1 ILE 10 1HD1 ILE 10 -3.175 3.539 -6.645 75 H GLN 11 H GLN 11 -2.725 -1.934 -9.559 76 HA GLN 11 HA GLN 11 -4.128 -1.969 -12.157 77 1HB GLN 11 1HB GLN 11 -1.788 -3.782 -11.381 78 2HB GLN 11 2HB GLN 11 -3.058 -4.321 -12.445 79 1HG GLN 11 1HG GLN 11 -1.585 -3.626 -13.996 80 2HG GLN 11 2HG GLN 11 -2.592 -2.185 -13.855 81 1HE2 GLN 11 2HE2 GLN 11 0.904 -0.974 -13.905 82 2HE2 GLN 11 1HE2 GLN 11 -0.355 -1.529 -15.002 83 HA PRO 12 HA PRO 12 -6.699 -4.726 -9.633 84 1HB PRO 12 1HB PRO 12 -8.114 -6.085 -11.497 85 2HB PRO 12 2HB PRO 12 -8.336 -4.339 -11.241 86 1HG PRO 12 1HG PRO 12 -6.598 -5.681 -13.351 87 2HG PRO 12 2HG PRO 12 -7.818 -4.400 -13.589 88 1HD PRO 12 1HD PRO 12 -5.149 -3.876 -13.327 89 2HD PRO 12 2HD PRO 12 -6.386 -2.759 -12.690 90 H GLY 13 H GLY 13 -4.418 -5.487 -9.215 91 1HA GLY 13 1HA GLY 13 -3.866 -7.939 -8.523 92 2HA GLY 13 2HA GLY 13 -3.729 -8.088 -10.272 93 H LYS 14 H LYS 14 -2.819 -5.774 -7.687 94 HA LYS 14 HA LYS 14 -0.018 -6.184 -8.009 95 1HB LYS 14 1HB LYS 14 -1.311 -3.739 -9.121 96 2HB LYS 14 2HB LYS 14 -0.192 -3.361 -7.845 97 1HG LYS 14 1HG LYS 14 0.909 -5.355 -9.733 98 2HG LYS 14 2HG LYS 14 0.429 -3.903 -10.549 99 1HD LYS 14 1HD LYS 14 2.078 -3.571 -8.046 100 2HD LYS 14 2HD LYS 14 2.859 -4.289 -9.439 101 1HE LYS 14 1HE LYS 14 1.561 -1.560 -9.390 102 2HE LYS 14 2HE LYS 14 3.293 -1.906 -9.296 103 1HZ LYS 14 3HZ LYS 14 3.020 -3.021 -11.503 104 2HZ LYS 14 1HZ LYS 14 1.502 -2.328 -11.581 105 3HZ LYS 14 2HZ LYS 14 2.830 -1.403 -11.546 106 H VAL 15 H VAL 15 1.038 -5.343 -5.981 107 HA VAL 15 HA VAL 15 -0.927 -4.607 -3.894 108 HB VAL 15 HB VAL 15 1.669 -6.168 -3.690 109 1HG1 VAL 15 3HG1 VAL 15 -0.260 -4.931 -1.741 110 2HG1 VAL 15 1HG1 VAL 15 0.621 -6.412 -1.259 111 3HG1 VAL 15 2HG1 VAL 15 1.460 -4.916 -1.686 112 1HG2 VAL 15 2HG2 VAL 15 -0.138 -7.579 -4.620 113 2HG2 VAL 15 3HG2 VAL 15 0.359 -8.065 -3.003 114 3HG2 VAL 15 1HG2 VAL 15 -1.143 -7.144 -3.232 115 H VAL 16 H VAL 16 -0.716 -2.344 -4.314 116 HA VAL 16 HA VAL 16 2.058 -1.261 -4.308 117 HB VAL 16 HB VAL 16 -0.646 -0.040 -4.937 118 1HG1 VAL 16 3HG1 VAL 16 2.045 1.312 -4.553 119 2HG1 VAL 16 1HG1 VAL 16 0.755 2.004 -5.553 120 3HG1 VAL 16 2HG1 VAL 16 0.491 1.751 -3.822 121 1HG2 VAL 16 1HG2 VAL 16 1.907 -0.510 -6.532 122 2HG2 VAL 16 2HG2 VAL 16 0.393 -1.418 -6.693 123 3HG2 VAL 16 3HG2 VAL 16 0.432 0.293 -7.116 124 H VAL 17 H VAL 17 2.775 0.061 -2.592 125 HA VAL 17 HA VAL 17 0.751 0.747 -0.568 126 HB VAL 17 HB VAL 17 3.584 0.339 0.353 127 1HG1 VAL 17 3HG1 VAL 17 1.963 1.581 1.743 128 2HG1 VAL 17 1HG1 VAL 17 0.876 0.197 1.729 129 3HG1 VAL 17 2HG1 VAL 17 2.460 0.071 2.524 130 1HG2 VAL 17 3HG2 VAL 17 1.528 -1.894 0.236 131 2HG2 VAL 17 1HG2 VAL 17 3.103 -1.851 -0.581 132 3HG2 VAL 17 2HG2 VAL 17 3.048 -1.900 1.179 133 H PHE 18 H PHE 18 0.554 2.920 -0.706 134 HA PHE 18 HA PHE 18 2.768 4.502 -1.837 135 1HB PHE 18 1HB PHE 18 0.077 5.400 -0.710 136 2HB PHE 18 2HB PHE 18 1.258 6.453 -1.490 137 HD1 PHE 18 1HD PHE 18 2.095 5.763 -3.859 138 HD2 PHE 18 2HD PHE 18 -1.556 4.311 -2.091 139 HE1 PHE 18 1HE PHE 18 1.307 4.980 -6.089 140 HE2 PHE 18 2HE PHE 18 -2.358 3.620 -4.352 141 HZ PHE 18 HZ PHE 18 -0.911 3.949 -6.330 142 H ILE 19 H ILE 19 4.363 5.293 -0.471 143 HA ILE 19 HA ILE 19 3.994 5.505 2.458 144 HB ILE 19 HB ILE 19 6.127 4.169 2.684 145 1HG1 ILE 19 1HG1 ILE 19 6.296 2.478 0.582 146 2HG1 ILE 19 2HG1 ILE 19 5.875 3.901 -0.312 147 1HG2 ILE 19 2HG2 ILE 19 3.774 3.259 2.950 148 2HG2 ILE 19 3HG2 ILE 19 4.006 2.500 1.362 149 3HG2 ILE 19 1HG2 ILE 19 5.083 2.094 2.714 150 1HD1 ILE 19 2HD1 ILE 19 7.814 5.104 0.739 151 2HD1 ILE 19 3HD1 ILE 19 8.243 3.588 1.566 152 3HD1 ILE 19 1HD1 ILE 19 8.268 3.684 -0.210 153 H LYS 20 H LYS 20 6.345 6.173 3.348 154 HA LYS 20 HA LYS 20 7.626 8.219 1.613 155 1HB LYS 20 1HB LYS 20 8.104 9.396 3.929 156 2HB LYS 20 2HB LYS 20 6.598 9.708 3.078 157 1HG LYS 20 1HG LYS 20 6.533 7.453 5.027 158 2HG LYS 20 2HG LYS 20 6.973 8.993 5.734 159 1HD LYS 20 1HD LYS 20 4.554 8.668 3.916 160 2HD LYS 20 2HD LYS 20 4.457 8.400 5.649 161 1HE LYS 20 1HE LYS 20 5.324 11.034 4.340 162 2HE LYS 20 2HE LYS 20 3.732 10.686 5.013 163 1HZ LYS 20 2HZ LYS 20 5.159 10.124 7.110 164 2HZ LYS 20 3HZ LYS 20 6.225 11.153 6.456 165 3HZ LYS 20 1HZ LYS 20 4.684 11.670 6.763 166 HA PRO 21 HA PRO 21 11.202 5.992 2.752 167 1HB PRO 21 1HB PRO 21 13.214 7.747 2.282 168 2HB PRO 21 2HB PRO 21 12.084 7.247 0.997 169 1HG PRO 21 1HG PRO 21 12.038 9.798 2.623 170 2HG PRO 21 2HG PRO 21 11.808 9.584 0.862 171 1HD PRO 21 1HD PRO 21 9.768 9.752 2.760 172 2HD PRO 21 2HD PRO 21 9.608 9.035 1.159 173 H THR 22 H THR 22 9.726 7.247 5.079 174 HA THR 22 HA THR 22 11.892 7.022 6.937 175 HB THR 22 HB THR 22 12.317 9.113 6.870 176 HG1 THR 22 HG1 THR 22 12.385 8.872 8.879 177 1HG2 THR 22 2HG2 THR 22 9.370 9.523 6.991 178 2HG2 THR 22 3HG2 THR 22 10.639 10.807 7.191 179 3HG2 THR 22 1HG2 THR 22 10.509 9.883 5.666 180 H CYS 23 H CSN 23 8.971 8.301 8.180 181 HA CYS 23 HA CSN 23 7.623 7.427 9.721 182 1HB CYS 23 2HB CSN 23 6.706 6.685 7.004 183 2HB CYS 23 3HB CSN 23 5.789 6.135 8.387 184 HA PRO 24 HA PRO 24 8.957 3.266 10.893 185 1HB PRO 24 1HB PRO 24 7.897 3.300 13.441 186 2HB PRO 24 2HB PRO 24 9.497 3.950 12.982 187 1HG PRO 24 1HG PRO 24 6.912 5.453 13.379 188 2HG PRO 24 2HG PRO 24 8.565 5.914 13.901 189 1HD PRO 24 1HD PRO 24 7.295 6.887 11.671 190 2HD PRO 24 2HD PRO 24 9.068 6.734 11.736 191 H TYR 25 H TYR 25 5.833 4.742 10.625 192 HA TYR 25 HA TYR 25 4.176 2.378 10.982 193 1HB TYR 25 1HB TYR 25 3.756 5.034 9.514 194 2HB TYR 25 2HB TYR 25 2.494 3.869 9.875 195 HD1 TYR 25 1HD TYR 25 2.182 3.237 12.494 196 HD2 TYR 25 2HD TYR 25 4.137 6.790 10.972 197 HE1 TYR 25 1HE TYR 25 1.924 4.340 14.693 198 HE2 TYR 25 2HE TYR 25 3.865 7.882 13.151 199 HH TYR 25 HH TYR 25 2.527 6.202 16.027 200 H CYS 26 H CYS 26 5.605 4.180 8.163 201 HA CYS 26 HA CYS 26 4.609 2.355 6.142 202 1HB CYS 26 1HB CYS 26 6.848 4.443 6.179 203 2HB CYS 26 2HB CYS 26 6.464 3.434 4.787 204 HG CYS 26 HG CYS 26 4.390 5.509 6.404 205 H ARG 27 H ARG 27 7.676 2.752 7.937 206 HA ARG 27 HA ARG 27 9.137 0.625 6.859 207 1HB ARG 27 1HB ARG 27 9.716 2.451 8.678 208 2HB ARG 27 2HB ARG 27 9.191 1.210 9.832 209 1HG ARG 27 1HG ARG 27 10.887 -0.360 8.748 210 2HG ARG 27 2HG ARG 27 11.415 1.019 7.761 211 1HD ARG 27 1HD ARG 27 11.513 2.205 10.183 212 2HD ARG 27 2HD ARG 27 11.728 0.551 10.729 213 HE ARG 27 HE ARG 27 13.476 2.171 8.942 214 1HH1 ARG 27 2HH2 ARG 27 13.170 -0.909 10.716 215 2HH1 ARG 27 1HH2 ARG 27 14.885 -1.076 10.927 216 1HH2 ARG 27 2HH1 ARG 27 15.658 1.902 9.137 217 2HH2 ARG 27 1HH1 ARG 27 16.346 0.565 10.010 218 H ARG 28 H ARG 28 6.759 0.526 9.582 219 HA ARG 28 HA ARG 28 6.906 -2.242 10.050 220 1HB ARG 28 1HB ARG 28 5.573 -0.574 11.413 221 2HB ARG 28 2HB ARG 28 4.372 -0.533 10.150 222 1HG ARG 28 1HG ARG 28 3.344 -2.301 11.079 223 2HG ARG 28 2HG ARG 28 4.675 -3.292 10.555 224 1HD ARG 28 1HD ARG 28 4.782 -1.765 13.184 225 2HD ARG 28 2HD ARG 28 4.089 -3.385 13.031 226 HE ARG 28 HE ARG 28 6.763 -3.310 11.908 227 1HH1 ARG 28 2HH2 ARG 28 5.216 -3.203 15.071 228 2HH1 ARG 28 1HH2 ARG 28 6.047 -4.587 15.695 229 1HH2 ARG 28 2HH1 ARG 28 8.221 -4.707 12.844 230 2HH2 ARG 28 1HH1 ARG 28 7.912 -5.408 14.428 231 H ALA 29 H ALA 29 4.562 -0.503 7.978 232 HA ALA 29 HA ALA 29 3.337 -2.830 6.992 233 1HB ALA 29 3HB ALA 29 3.693 -0.182 5.516 234 2HB ALA 29 1HB ALA 29 2.577 -1.476 5.041 235 3HB ALA 29 2HB ALA 29 2.340 -0.650 6.592 236 H GLN 30 H GLN 30 6.293 -1.208 5.609 237 HA GLN 30 HA GLN 30 6.599 -2.887 3.481 238 1HB GLN 30 1HB GLN 30 8.214 -0.926 4.965 239 2HB GLN 30 2HB GLN 30 9.226 -2.310 4.574 240 1HG GLN 30 1HG GLN 30 9.382 -1.768 2.430 241 2HG GLN 30 2HG GLN 30 7.634 -1.690 2.319 242 1HE2 GLN 30 2HE2 GLN 30 9.850 1.776 2.449 243 2HE2 GLN 30 1HE2 GLN 30 10.536 0.168 2.299 244 H GLU 31 H GLU 31 7.781 -3.486 6.794 245 HA GLU 31 HA GLU 31 9.127 -5.939 5.853 246 1HB GLU 31 1HB GLU 31 9.728 -6.337 8.194 247 2HB GLU 31 2HB GLU 31 10.131 -4.704 7.666 248 1HG GLU 31 1HG GLU 31 8.064 -3.876 8.778 249 2HG GLU 31 2HG GLU 31 7.803 -5.489 9.448 250 H ILE 32 H ILE 32 6.172 -5.076 7.561 251 HA ILE 32 HA ILE 32 5.141 -7.654 8.120 252 HB ILE 32 HB ILE 32 3.987 -4.919 7.563 253 1HG1 ILE 32 1HG1 ILE 32 3.996 -6.862 9.914 254 2HG1 ILE 32 2HG1 ILE 32 4.923 -5.385 9.772 255 1HG2 ILE 32 1HG2 ILE 32 2.261 -7.361 7.873 256 2HG2 ILE 32 2HG2 ILE 32 1.703 -5.676 8.023 257 3HG2 ILE 32 3HG2 ILE 32 2.315 -6.224 6.492 258 1HD1 ILE 32 1HD1 ILE 32 2.652 -4.152 9.719 259 2HD1 ILE 32 2HD1 ILE 32 1.923 -5.697 10.206 260 3HD1 ILE 32 3HD1 ILE 32 3.109 -4.932 11.261 261 H LEU 33 H LEU 33 4.737 -5.630 5.156 262 HA LEU 33 HA LEU 33 3.188 -7.741 3.976 263 1HB LEU 33 1HB LEU 33 4.190 -5.078 2.981 264 2HB LEU 33 2HB LEU 33 3.827 -6.289 1.779 265 HG LEU 33 HG LEU 33 1.800 -5.364 3.875 266 1HD1 LEU 33 1HD1 LEU 33 2.136 -4.632 0.947 267 2HD1 LEU 33 2HD1 LEU 33 0.726 -4.252 1.946 268 3HD1 LEU 33 3HD1 LEU 33 2.304 -3.578 2.377 269 1HD2 LEU 33 1HD2 LEU 33 1.550 -7.174 1.411 270 2HD2 LEU 33 2HD2 LEU 33 1.260 -7.642 3.094 271 3HD2 LEU 33 3HD2 LEU 33 0.181 -6.493 2.305 272 H SER 34 H SER 34 6.613 -6.531 3.535 273 HA SER 34 HA SER 34 7.374 -8.419 1.593 274 1HB SER 34 1HB SER 34 8.989 -7.341 3.944 275 2HB SER 34 2HB SER 34 9.671 -8.152 2.529 276 HG SER 34 HG SER 34 8.417 -5.669 2.768 277 H GLN 35 H GLN 35 6.813 -9.023 5.070 278 HA GLN 35 HA GLN 35 8.258 -11.506 5.160 279 1HB GLN 35 1HB GLN 35 6.159 -10.133 6.874 280 2HB GLN 35 2HB GLN 35 6.622 -11.781 7.234 281 1HG GLN 35 1HG GLN 35 8.818 -9.741 6.928 282 2HG GLN 35 2HG GLN 35 7.828 -9.720 8.383 283 1HE2 GLN 35 2HE2 GLN 35 9.022 -12.823 9.670 284 2HE2 GLN 35 1HE2 GLN 35 7.963 -11.425 9.865 285 H LEU 36 H LEU 36 5.130 -10.721 3.715 286 HA LEU 36 HA LEU 36 4.245 -13.523 3.907 287 1HB LEU 36 1HB LEU 36 3.010 -11.034 2.690 288 2HB LEU 36 2HB LEU 36 2.324 -12.658 2.628 289 HG LEU 36 HG LEU 36 2.807 -10.994 5.143 290 1HD1 LEU 36 3HD1 LEU 36 0.934 -10.202 3.758 291 2HD1 LEU 36 1HD1 LEU 36 0.212 -11.827 3.793 292 3HD1 LEU 36 2HD1 LEU 36 0.372 -10.889 5.296 293 1HD2 LEU 36 2HD2 LEU 36 1.558 -13.763 4.853 294 2HD2 LEU 36 3HD2 LEU 36 3.050 -13.353 5.717 295 3HD2 LEU 36 1HD2 LEU 36 1.518 -12.761 6.330 296 HA PRO 37 HA PRO 37 6.386 -13.960 0.015 297 1HB PRO 37 1HB PRO 37 5.636 -16.472 -0.713 298 2HB PRO 37 2HB PRO 37 6.729 -16.161 0.670 299 1HG PRO 37 1HG PRO 37 3.755 -16.738 0.741 300 2HG PRO 37 2HG PRO 37 5.045 -17.402 1.787 301 1HD PRO 37 1HD PRO 37 3.431 -15.251 2.479 302 2HD PRO 37 2HD PRO 37 5.085 -15.469 3.112 303 H ILE 38 H ILE 38 5.670 -12.746 -1.692 304 HA ILE 38 HA ILE 38 2.848 -13.105 -2.662 305 HB ILE 38 HB ILE 38 4.441 -10.689 -1.697 306 1HG1 ILE 38 1HG1 ILE 38 1.459 -11.341 -1.404 307 2HG1 ILE 38 2HG1 ILE 38 2.663 -12.085 -0.368 308 1HG2 ILE 38 1HG2 ILE 38 2.125 -10.520 -3.709 309 2HG2 ILE 38 2HG2 ILE 38 2.674 -9.171 -2.729 310 3HG2 ILE 38 3HG2 ILE 38 3.766 -9.873 -3.898 311 1HD1 ILE 38 1HD1 ILE 38 3.533 -9.791 0.232 312 2HD1 ILE 38 2HD1 ILE 38 2.019 -9.153 -0.490 313 3HD1 ILE 38 3HD1 ILE 38 1.983 -10.259 0.885 314 H LYS 39 H LYS 39 2.641 -12.792 -4.911 315 HA LYS 39 HA LYS 39 4.603 -13.563 -6.536 316 1HB LYS 39 1HB LYS 39 2.128 -12.056 -7.016 317 2HB LYS 39 2HB LYS 39 3.307 -12.115 -8.342 318 1HG LYS 39 1HG LYS 39 2.650 -14.708 -6.970 319 2HG LYS 39 2HG LYS 39 1.369 -13.978 -7.928 320 1HD LYS 39 1HD LYS 39 4.166 -14.487 -9.007 321 2HD LYS 39 2HD LYS 39 2.836 -15.654 -9.093 322 1HE LYS 39 1HE LYS 39 1.409 -13.863 -10.199 323 2HE LYS 39 2HE LYS 39 2.848 -12.841 -10.304 324 1HZ LYS 39 1HZ LYS 39 3.859 -14.573 -11.689 325 2HZ LYS 39 2HZ LYS 39 2.442 -15.454 -11.594 326 3HZ LYS 39 3HZ LYS 39 2.459 -13.984 -12.324 327 H GLN 40 H GLN 40 6.568 -12.638 -7.267 328 HA GLN 40 HA GLN 40 7.144 -9.916 -6.451 329 1HB GLN 40 1HB GLN 40 8.891 -11.807 -6.777 330 2HB GLN 40 2HB GLN 40 8.857 -11.348 -8.488 331 1HG GLN 40 1HG GLN 40 9.398 -8.972 -7.792 332 2HG GLN 40 2HG GLN 40 9.422 -9.508 -6.113 333 1HE2 GLN 40 2HE2 GLN 40 12.787 -9.915 -8.268 334 2HE2 GLN 40 1HE2 GLN 40 11.463 -8.951 -8.861 335 H GLY 41 H GLY 41 7.351 -8.054 -7.812 336 1HA GLY 41 1HA GLY 41 6.866 -6.816 -9.802 337 2HA GLY 41 2HA GLY 41 5.947 -8.182 -10.441 338 H LEU 42 H LEU 42 4.500 -8.674 -7.693 339 HA LEU 42 HA LEU 42 2.473 -6.675 -8.125 340 1HB LEU 42 1HB LEU 42 2.702 -8.685 -5.889 341 2HB LEU 42 2HB LEU 42 1.355 -7.664 -6.305 342 HG LEU 42 HG LEU 42 2.398 -10.036 -7.817 343 1HD1 LEU 42 2HD1 LEU 42 0.789 -10.305 -5.916 344 2HD1 LEU 42 3HD1 LEU 42 -0.360 -9.241 -6.755 345 3HD1 LEU 42 1HD1 LEU 42 0.069 -10.807 -7.467 346 1HD2 LEU 42 1HD2 LEU 42 0.302 -8.135 -8.881 347 2HD2 LEU 42 2HD2 LEU 42 1.916 -8.432 -9.584 348 3HD2 LEU 42 3HD2 LEU 42 0.711 -9.719 -9.544 349 H LEU 43 H LEU 43 4.985 -7.273 -5.531 350 HA LEU 43 HA LEU 43 3.608 -5.341 -3.874 351 1HB LEU 43 1HB LEU 43 5.008 -7.537 -3.191 352 2HB LEU 43 2HB LEU 43 6.273 -6.349 -3.041 353 HG LEU 43 HG LEU 43 5.486 -6.326 -0.899 354 1HD1 LEU 43 1HD1 LEU 43 5.150 -3.995 -1.628 355 2HD1 LEU 43 2HD1 LEU 43 3.465 -4.323 -2.003 356 3HD1 LEU 43 3HD1 LEU 43 4.035 -4.470 -0.340 357 1HD2 LEU 43 3HD2 LEU 43 2.793 -7.036 -2.036 358 2HD2 LEU 43 1HD2 LEU 43 3.897 -7.969 -1.028 359 3HD2 LEU 43 2HD2 LEU 43 3.012 -6.612 -0.316 360 H GLU 44 H GLU 44 3.840 -3.154 -4.416 361 HA GLU 44 HA GLU 44 6.623 -2.261 -4.988 362 1HB GLU 44 1HB GLU 44 5.063 -2.600 -6.978 363 2HB GLU 44 2HB GLU 44 4.201 -1.154 -6.416 364 1HG GLU 44 1HG GLU 44 6.288 0.146 -6.500 365 2HG GLU 44 2HG GLU 44 7.223 -1.299 -6.887 366 H PHE 45 H PHE 45 7.284 -1.055 -3.417 367 HA PHE 45 HA PHE 45 5.471 0.557 -1.768 368 1HB PHE 45 1HB PHE 45 8.498 0.260 -1.681 369 2HB PHE 45 2HB PHE 45 7.484 0.941 -0.432 370 HD1 PHE 45 2HD PHE 45 5.379 -0.830 0.118 371 HD2 PHE 45 1HD PHE 45 9.356 -1.880 -1.161 372 HE1 PHE 45 2HE PHE 45 5.124 -3.079 1.166 373 HE2 PHE 45 1HE PHE 45 9.083 -4.125 -0.156 374 HZ PHE 45 HZ PHE 45 6.970 -4.732 1.000 375 H VAL 46 H VAL 46 4.762 2.390 -2.777 376 HA VAL 46 HA VAL 46 6.465 3.755 -4.788 377 HB VAL 46 HB VAL 46 3.476 3.897 -4.224 378 1HG1 VAL 46 3HG1 VAL 46 5.202 5.072 -6.454 379 2HG1 VAL 46 1HG1 VAL 46 3.431 5.109 -6.436 380 3HG1 VAL 46 2HG1 VAL 46 4.329 5.996 -5.208 381 1HG2 VAL 46 2HG2 VAL 46 4.155 1.716 -5.176 382 2HG2 VAL 46 3HG2 VAL 46 3.181 2.668 -6.290 383 3HG2 VAL 46 1HG2 VAL 46 4.954 2.553 -6.516 384 H ASP 47 H ASP 47 7.422 5.678 -4.182 385 HA ASP 47 HA ASP 47 6.810 6.514 -1.457 386 1HB ASP 47 1HB ASP 47 9.126 6.049 -2.378 387 2HB ASP 47 2HB ASP 47 8.993 7.610 -3.212 388 H ILE 48 H ILE 48 5.844 8.405 -0.889 389 HA ILE 48 HA ILE 48 4.589 10.068 -2.954 390 HB ILE 48 HB ILE 48 3.310 11.007 -1.133 391 1HG1 ILE 48 1HG1 ILE 48 5.022 9.405 0.817 392 2HG1 ILE 48 2HG1 ILE 48 5.053 11.122 0.608 393 1HG2 ILE 48 3HG2 ILE 48 2.748 8.756 -2.169 394 2HG2 ILE 48 1HG2 ILE 48 3.498 7.971 -0.768 395 3HG2 ILE 48 2HG2 ILE 48 2.072 8.995 -0.559 396 1HD1 ILE 48 3HD1 ILE 48 2.605 11.182 1.229 397 2HD1 ILE 48 1HD1 ILE 48 2.782 9.478 1.692 398 3HD1 ILE 48 2HD1 ILE 48 3.735 10.722 2.516 399 H THR 49 H THR 49 7.520 10.331 -1.202 400 HA THR 49 HA THR 49 7.563 13.288 -1.516 401 HB THR 49 HB THR 49 6.638 12.569 0.688 402 HG1 THR 49 HG1 THR 49 7.766 13.976 1.889 403 1HG2 THR 49 2HG2 THR 49 7.998 10.579 1.078 404 2HG2 THR 49 3HG2 THR 49 9.441 11.607 1.284 405 3HG2 THR 49 1HG2 THR 49 8.080 11.717 2.425 406 H ALA 50 H ALA 50 9.085 10.373 -2.136 407 HA ALA 50 HA ALA 50 11.766 10.900 -2.017 408 1HB ALA 50 1HB ALA 50 10.205 9.560 -4.255 409 2HB ALA 50 2HB ALA 50 11.972 9.503 -4.080 410 3HB ALA 50 3HB ALA 50 10.952 8.797 -2.822 411 H THR 51 H THR 51 9.428 12.604 -3.986 412 HA THR 51 HA THR 51 11.636 14.456 -4.620 413 HB THR 51 HB THR 51 10.593 15.183 -6.651 414 HG1 THR 51 HG1 THR 51 8.950 14.258 -7.570 415 1HG2 THR 51 3HG2 THR 51 12.307 13.424 -6.778 416 2HG2 THR 51 1HG2 THR 51 11.060 12.163 -6.707 417 3HG2 THR 51 2HG2 THR 51 11.140 13.255 -8.094 418 H ASN 52 H ASN 52 8.034 14.638 -4.863 419 HA ASN 52 HA ASN 52 7.813 16.484 -2.621 420 1HB ASN 52 1HB ASN 52 8.897 17.722 -4.639 421 2HB ASN 52 2HB ASN 52 7.315 17.595 -5.415 422 1HD2 ASN 52 2HD2 ASN 52 7.584 20.903 -3.713 423 2HD2 ASN 52 1HD2 ASN 52 8.467 20.054 -4.967 424 H HIS 53 H HIS 53 5.376 17.722 -3.506 425 HA HIS 53 HA HIS 53 3.195 17.468 -3.696 426 1HB HIS 53 1HB HIS 53 4.009 15.361 -5.671 427 2HB HIS 53 2HB HIS 53 2.330 15.719 -5.350 428 HD1 HIS 53 1HD HIS 53 4.845 16.771 -7.700 429 HD2 HIS 53 2HD HIS 53 1.685 18.540 -5.542 430 HE1 HIS 53 1HE HIS 53 4.149 18.844 -9.000 431 H THR 54 H THR 54 4.690 15.447 -1.660 432 HA THR 54 HA THR 54 3.079 13.298 -1.282 433 HB THR 54 HB THR 54 4.686 13.140 0.207 434 HG1 THR 54 HG1 THR 54 2.734 13.032 1.480 435 1HG2 THR 54 1HG2 THR 54 4.415 16.026 0.943 436 2HG2 THR 54 2HG2 THR 54 5.551 14.871 1.681 437 3HG2 THR 54 3HG2 THR 54 5.708 15.256 -0.042 438 H ASN 55 H ASN 55 2.571 16.272 0.499 439 HA ASN 55 HA ASN 55 0.097 15.534 1.590 440 1HB ASN 55 1HB ASN 55 1.518 18.068 1.469 441 2HB ASN 55 2HB ASN 55 -0.214 18.311 1.239 442 1HD2 ASN 55 2HD2 ASN 55 0.952 17.766 4.962 443 2HD2 ASN 55 1HD2 ASN 55 2.026 18.235 3.665 444 H GLU 56 H GLU 56 0.574 17.217 -1.559 445 HA GLU 56 HA GLU 56 -2.085 17.454 -2.332 446 1HB GLU 56 1HB GLU 56 0.495 17.988 -3.278 447 2HB GLU 56 2HB GLU 56 -0.008 16.745 -4.389 448 1HG GLU 56 1HG GLU 56 -2.049 18.866 -3.926 449 2HG GLU 56 2HG GLU 56 -0.501 19.458 -4.518 450 H ILE 57 H ILE 57 0.186 14.759 -2.822 451 HA ILE 57 HA ILE 57 -1.522 12.947 -4.194 452 HB ILE 57 HB ILE 57 1.047 12.810 -2.596 453 1HG1 ILE 57 1HG1 ILE 57 0.611 11.646 -5.331 454 2HG1 ILE 57 2HG1 ILE 57 0.753 13.401 -5.138 455 1HG2 ILE 57 3HG2 ILE 57 -0.600 10.386 -3.321 456 2HG2 ILE 57 1HG2 ILE 57 1.163 10.307 -3.139 457 3HG2 ILE 57 2HG2 ILE 57 0.162 10.801 -1.779 458 1HD1 ILE 57 2HD1 ILE 57 2.823 11.356 -4.238 459 2HD1 ILE 57 3HD1 ILE 57 2.906 12.373 -5.689 460 3HD1 ILE 57 1HD1 ILE 57 2.965 13.115 -4.081 461 H GLN 58 H GLN 58 -1.007 13.673 -0.763 462 HA GLN 58 HA GLN 58 -2.271 11.285 0.174 463 1HB GLN 58 1HB GLN 58 -1.147 13.851 1.416 464 2HB GLN 58 2HB GLN 58 -2.161 12.814 2.376 465 1HG GLN 58 1HG GLN 58 0.587 12.271 1.395 466 2HG GLN 58 2HG GLN 58 -0.067 12.063 2.994 467 1HE2 GLN 58 2HE2 GLN 58 -1.623 8.839 1.913 468 2HE2 GLN 58 1HE2 GLN 58 -2.045 10.243 2.894 469 H ASP 59 H ASP 59 -3.227 14.690 -0.087 470 HA ASP 59 HA ASP 59 -5.756 14.652 1.135 471 1HB ASP 59 1HB ASP 59 -4.199 16.536 0.090 472 2HB ASP 59 2HB ASP 59 -5.139 16.289 -1.353 473 H TYR 60 H TYR 60 -4.877 14.372 -2.272 474 HA TYR 60 HA TYR 60 -7.295 13.483 -3.417 475 1HB TYR 60 1HB TYR 60 -5.121 14.120 -4.533 476 2HB TYR 60 2HB TYR 60 -4.481 12.543 -4.148 477 HD1 TYR 60 2HD TYR 60 -6.569 10.580 -4.999 478 HD2 TYR 60 1HD TYR 60 -5.332 14.311 -6.768 479 HE1 TYR 60 2HE TYR 60 -7.367 9.799 -7.192 480 HE2 TYR 60 1HE TYR 60 -6.027 13.474 -8.982 481 HH TYR 60 HH TYR 60 -7.932 10.520 -9.423 482 H LEU 61 H LEU 61 -4.664 11.503 -1.933 483 HA LEU 61 HA LEU 61 -5.832 8.979 -2.426 484 1HB LEU 61 1HB LEU 61 -3.771 10.004 -0.523 485 2HB LEU 61 2HB LEU 61 -4.484 8.469 -0.131 486 HG LEU 61 HG LEU 61 -3.226 9.028 -2.854 487 1HD1 LEU 61 3HD1 LEU 61 -1.530 9.324 -1.086 488 2HD1 LEU 61 1HD1 LEU 61 -1.932 7.743 -0.401 489 3HD1 LEU 61 2HD1 LEU 61 -1.228 7.864 -2.027 490 1HD2 LEU 61 1HD2 LEU 61 -4.796 7.066 -2.681 491 2HD2 LEU 61 2HD2 LEU 61 -3.118 6.554 -2.937 492 3HD2 LEU 61 3HD2 LEU 61 -3.848 6.458 -1.322 493 H GLN 62 H GLN 62 -6.634 11.352 0.129 494 HA GLN 62 HA GLN 62 -8.196 9.540 1.693 495 1HB GLN 62 1HB GLN 62 -7.572 11.973 2.262 496 2HB GLN 62 2HB GLN 62 -8.911 12.464 1.239 497 1HG GLN 62 1HG GLN 62 -10.472 11.078 2.591 498 2HG GLN 62 2HG GLN 62 -9.133 10.563 3.613 499 1HE2 GLN 62 2HE2 GLN 62 -10.695 14.368 4.050 500 2HE2 GLN 62 1HE2 GLN 62 -11.115 13.374 2.684 501 H GLN 63 H GLN 63 -9.191 11.834 -0.887 502 HA GLN 63 HA GLN 63 -11.845 10.908 -0.986 503 1HB GLN 63 1HB GLN 63 -10.370 12.998 -2.060 504 2HB GLN 63 2HB GLN 63 -10.670 12.053 -3.493 505 1HG GLN 63 1HG GLN 63 -12.443 13.707 -3.204 506 2HG GLN 63 2HG GLN 63 -13.128 12.098 -2.980 507 1HE2 GLN 63 2HE2 GLN 63 -14.688 13.844 -0.221 508 2HE2 GLN 63 1HE2 GLN 63 -14.840 13.643 -1.943 509 H LEU 64 H LEU 64 -9.003 9.879 -2.717 510 HA LEU 64 HA LEU 64 -10.364 8.075 -4.562 511 1HB LEU 64 1HB LEU 64 -8.394 9.019 -5.354 512 2HB LEU 64 2HB LEU 64 -7.555 8.759 -3.836 513 HG LEU 64 HG LEU 64 -7.375 6.316 -4.337 514 1HD1 LEU 64 2HD1 LEU 64 -8.232 7.289 -7.127 515 2HD1 LEU 64 3HD1 LEU 64 -7.567 5.682 -6.749 516 3HD1 LEU 64 1HD1 LEU 64 -9.135 6.163 -6.095 517 1HD2 LEU 64 3HD2 LEU 64 -5.525 8.011 -4.700 518 2HD2 LEU 64 1HD2 LEU 64 -5.454 6.616 -5.784 519 3HD2 LEU 64 2HD2 LEU 64 -6.056 8.162 -6.389 520 H THR 65 H THR 65 -9.240 7.684 -1.180 521 HA THR 65 HA THR 65 -10.039 4.829 -1.415 522 HB THR 65 HB THR 65 -8.393 4.209 0.148 523 HG1 THR 65 HG1 THR 65 -7.502 6.904 0.178 524 1HG2 THR 65 3HG2 THR 65 -7.743 4.430 -2.247 525 2HG2 THR 65 1HG2 THR 65 -7.069 6.038 -1.893 526 3HG2 THR 65 2HG2 THR 65 -6.382 4.606 -1.106 527 H GLY 66 H GLY 66 -9.462 7.058 1.291 528 1HA GLY 66 1HA GLY 66 -11.925 7.458 2.373 529 2HA GLY 66 2HA GLY 66 -11.538 5.818 2.913 530 H ALA 67 H ALA 67 -8.483 7.125 2.820 531 HA ALA 67 HA ALA 67 -8.674 8.896 5.115 532 1HB ALA 67 1HB ALA 67 -8.540 6.653 6.208 533 2HB ALA 67 2HB ALA 67 -7.082 6.301 5.279 534 3HB ALA 67 3HB ALA 67 -7.069 7.607 6.477 535 H ARG 68 H ARG 68 -6.751 10.138 5.317 536 HA ARG 68 HA ARG 68 -4.928 10.051 2.967 537 1HB ARG 68 1HB ARG 68 -4.467 12.287 3.316 538 2HB ARG 68 2HB ARG 68 -6.164 12.168 3.745 539 1HG ARG 68 1HG ARG 68 -5.258 11.912 6.201 540 2HG ARG 68 2HG ARG 68 -3.770 12.610 5.532 541 1HD ARG 68 1HD ARG 68 -5.018 14.511 4.620 542 2HD ARG 68 2HD ARG 68 -6.546 13.831 5.184 543 HE ARG 68 HE ARG 68 -4.795 15.493 6.619 544 1HH1 ARG 68 2HH2 ARG 68 -6.869 12.616 7.200 545 2HH1 ARG 68 1HH2 ARG 68 -7.083 12.968 8.870 546 1HH2 ARG 68 2HH1 ARG 68 -5.203 15.971 8.782 547 2HH2 ARG 68 1HH1 ARG 68 -6.144 14.924 9.799 548 H THR 69 H THR 69 -4.942 8.669 6.090 549 HA THR 69 HA THR 69 -2.246 9.416 6.828 550 HB THR 69 HB THR 69 -2.478 7.533 8.416 551 HG1 THR 69 HG1 THR 69 -3.785 6.125 7.278 552 1HG2 THR 69 2HG2 THR 69 -3.465 9.839 8.878 553 2HG2 THR 69 3HG2 THR 69 -5.040 9.197 8.382 554 3HG2 THR 69 1HG2 THR 69 -4.202 8.506 9.782 555 H VAL 70 H VAL 70 -0.329 8.341 6.252 556 HA VAL 70 HA VAL 70 -0.502 6.018 4.481 557 HB VAL 70 HB VAL 70 2.143 6.720 4.433 558 1HG1 VAL 70 2HG1 VAL 70 -0.146 7.817 2.802 559 2HG1 VAL 70 3HG1 VAL 70 1.550 7.763 2.275 560 3HG1 VAL 70 1HG1 VAL 70 0.658 6.266 2.570 561 1HG2 VAL 70 3HG2 VAL 70 0.651 9.406 4.617 562 2HG2 VAL 70 1HG2 VAL 70 1.831 8.807 5.812 563 3HG2 VAL 70 2HG2 VAL 70 2.315 9.165 4.140 564 HA PRO 71 HA PRO 71 1.621 4.368 3.976 565 1HB PRO 71 1HB PRO 71 1.342 1.645 4.372 566 2HB PRO 71 2HB PRO 71 2.821 2.554 4.785 567 1HG PRO 71 1HG PRO 71 0.559 1.764 6.627 568 2HG PRO 71 2HG PRO 71 2.322 1.590 6.889 569 1HD PRO 71 1HD PRO 71 0.956 3.659 7.947 570 2HD PRO 71 2HD PRO 71 2.596 3.898 7.282 571 H ARG 72 H ARG 72 0.290 3.302 2.301 572 HA ARG 72 HA ARG 72 -2.556 2.743 3.042 573 1HB ARG 72 1HB ARG 72 -1.674 4.380 0.605 574 2HB ARG 72 2HB ARG 72 -3.310 3.845 0.990 575 1HG ARG 72 1HG ARG 72 -2.658 5.095 3.297 576 2HG ARG 72 2HG ARG 72 -1.654 6.017 2.202 577 1HD ARG 72 1HD ARG 72 -3.772 7.159 2.574 578 2HD ARG 72 2HD ARG 72 -3.648 6.637 0.896 579 HE ARG 72 HE ARG 72 -5.667 5.684 1.236 580 1HH1 ARG 72 2HH2 ARG 72 -4.121 5.509 4.462 581 2HH1 ARG 72 1HH2 ARG 72 -5.452 4.582 5.119 582 1HH2 ARG 72 2HH1 ARG 72 -7.315 4.631 2.119 583 2HH2 ARG 72 1HH1 ARG 72 -7.318 4.037 3.752 584 H VAL 73 H VAL 73 -2.455 0.506 2.808 585 HA VAL 73 HA VAL 73 -0.953 -0.657 0.573 586 HB VAL 73 HB VAL 73 -2.731 -1.861 2.721 587 1HG1 VAL 73 2HG1 VAL 73 -1.237 -3.251 0.432 588 2HG1 VAL 73 3HG1 VAL 73 -1.920 -4.083 1.846 589 3HG1 VAL 73 1HG1 VAL 73 -2.981 -3.268 0.710 590 1HG2 VAL 73 3HG2 VAL 73 0.268 -1.898 2.221 591 2HG2 VAL 73 1HG2 VAL 73 -0.585 -1.106 3.570 592 3HG2 VAL 73 2HG2 VAL 73 -0.546 -2.864 3.430 593 H PHE 74 H PHE 74 -1.702 -0.858 -1.345 594 HA PHE 74 HA PHE 74 -4.594 -0.920 -1.908 595 1HB PHE 74 1HB PHE 74 -2.267 0.151 -3.481 596 2HB PHE 74 2HB PHE 74 -3.611 -0.575 -4.343 597 HD1 PHE 74 1HD PHE 74 -2.909 2.060 -1.756 598 HD2 PHE 74 2HD PHE 74 -5.462 0.696 -4.955 599 HE1 PHE 74 1HE PHE 74 -3.986 4.283 -1.860 600 HE2 PHE 74 2HE PHE 74 -6.497 2.940 -5.099 601 HZ PHE 74 HZ PHE 74 -5.696 4.764 -3.617 602 H ILE 75 H ILE 75 -4.971 -3.072 -1.699 603 HA ILE 75 HA ILE 75 -3.295 -4.966 -3.267 604 HB ILE 75 HB ILE 75 -5.130 -5.334 -0.964 605 1HG1 ILE 75 1HG1 ILE 75 -3.789 -7.383 -0.606 606 2HG1 ILE 75 2HG1 ILE 75 -2.941 -7.057 -2.122 607 1HG2 ILE 75 2HG2 ILE 75 -5.242 -7.083 -3.449 608 2HG2 ILE 75 3HG2 ILE 75 -5.602 -7.748 -1.874 609 3HG2 ILE 75 1HG2 ILE 75 -6.594 -6.426 -2.500 610 1HD1 ILE 75 3HD1 ILE 75 -2.127 -4.927 -0.938 611 2HD1 ILE 75 1HD1 ILE 75 -2.687 -5.739 0.553 612 3HD1 ILE 75 2HD1 ILE 75 -1.455 -6.492 -0.435 613 H GLY 76 H GLY 76 -3.791 -4.772 -5.255 614 1HA GLY 76 1HA GLY 76 -4.927 -4.683 -7.263 615 2HA GLY 76 2HA GLY 76 -5.977 -5.805 -6.415 616 H LYS 77 H LYS 77 -5.589 -2.480 -7.405 617 HA LYS 77 HA LYS 77 -6.733 -0.648 -7.617 618 1HB LYS 77 1HB LYS 77 -8.779 -2.736 -8.411 619 2HB LYS 77 2HB LYS 77 -9.191 -1.034 -8.326 620 1HG LYS 77 1HG LYS 77 -7.357 -0.460 -9.896 621 2HG LYS 77 2HG LYS 77 -7.035 -2.188 -10.067 622 1HD LYS 77 1HD LYS 77 -8.447 -1.919 -11.875 623 2HD LYS 77 2HD LYS 77 -9.659 -2.254 -10.644 624 1HE LYS 77 1HE LYS 77 -10.513 -0.323 -11.671 625 2HE LYS 77 2HE LYS 77 -9.662 0.343 -10.270 626 1HZ LYS 77 3HZ LYS 77 -7.712 0.570 -11.911 627 2HZ LYS 77 1HZ LYS 77 -8.861 0.357 -13.091 628 3HZ LYS 77 2HZ LYS 77 -8.977 1.616 -12.058 629 H ASP 78 H ASP 78 -7.708 -2.601 -5.033 630 HA ASP 78 HA ASP 78 -9.468 -0.434 -3.968 631 1HB ASP 78 1HB ASP 78 -10.308 -2.794 -3.934 632 2HB ASP 78 2HB ASP 78 -8.938 -3.239 -2.909 633 H CYS 79 H CYS 79 -9.058 -0.019 -1.549 634 HA CYS 79 HA CYS 79 -6.212 -0.246 -0.801 635 1HB CYS 79 1HB CYS 79 -6.832 2.106 -1.472 636 2HB CYS 79 2HB CYS 79 -7.973 2.120 -0.108 637 HG CYS 79 HG CYS 79 -4.837 1.168 0.203 638 H ILE 80 H ILE 80 -5.999 -1.364 1.115 639 HA ILE 80 HA ILE 80 -8.472 -2.554 2.054 640 HB ILE 80 HB ILE 80 -7.115 -4.201 2.978 641 1HG1 ILE 80 1HG1 ILE 80 -4.476 -3.834 2.820 642 2HG1 ILE 80 2HG1 ILE 80 -4.925 -2.134 2.956 643 1HG2 ILE 80 2HG2 ILE 80 -7.152 -4.074 0.457 644 2HG2 ILE 80 3HG2 ILE 80 -5.546 -3.324 0.526 645 3HG2 ILE 80 1HG2 ILE 80 -5.780 -4.959 1.163 646 1HD1 ILE 80 3HD1 ILE 80 -6.374 -3.179 5.044 647 2HD1 ILE 80 1HD1 ILE 80 -5.077 -4.358 4.942 648 3HD1 ILE 80 2HD1 ILE 80 -4.701 -2.630 5.185 649 H GLY 81 H GLY 81 -6.350 -0.087 3.196 650 1HA GLY 81 1HA GLY 81 -7.391 0.984 5.425 651 2HA GLY 81 2HA GLY 81 -6.853 -0.618 5.981 652 H GLY 82 H GLY 82 -5.524 1.343 7.094 653 1HA GLY 82 1HA GLY 82 -3.254 2.174 5.414 654 2HA GLY 82 2HA GLY 82 -3.826 2.886 6.929 655 H CYS 83 H CYS 83 -3.298 1.840 8.936 656 HA CYS 83 HA CYS 83 -0.900 0.091 8.772 657 1HB CYS 83 1HB CYS 83 -0.678 2.697 9.258 658 2HB CYS 83 2HB CYS 83 -1.094 2.201 10.905 659 HG CYS 83 HG CYS 83 1.479 2.429 10.663 660 H SER 84 H SER 84 -3.225 1.354 11.309 661 HA SER 84 HA SER 84 -3.013 -0.880 13.038 662 1HB SER 84 1HB SER 84 -5.054 1.252 12.432 663 2HB SER 84 2HB SER 84 -5.641 -0.167 13.299 664 HG SER 84 HG SER 84 -4.453 0.186 14.933 665 H ASP 85 H ASP 85 -5.365 -0.248 10.457 666 HA ASP 85 HA ASP 85 -6.858 -2.622 10.614 667 1HB ASP 85 1HB ASP 85 -6.224 -0.719 8.259 668 2HB ASP 85 2HB ASP 85 -7.580 -1.840 8.305 669 H LEU 86 H LEU 86 -3.902 -1.765 8.853 670 HA LEU 86 HA LEU 86 -3.865 -4.072 7.110 671 1HB LEU 86 1HB LEU 86 -2.809 -1.921 6.576 672 2HB LEU 86 2HB LEU 86 -1.713 -2.069 7.933 673 HG LEU 86 HG LEU 86 -0.793 -2.484 5.663 674 1HD1 LEU 86 2HD1 LEU 86 0.358 -3.257 7.720 675 2HD1 LEU 86 3HD1 LEU 86 -0.358 -4.866 7.465 676 3HD1 LEU 86 1HD1 LEU 86 0.737 -4.179 6.256 677 1HD2 LEU 86 3HD2 LEU 86 -2.614 -3.788 4.675 678 2HD2 LEU 86 1HD2 LEU 86 -1.091 -4.675 4.591 679 3HD2 LEU 86 2HD2 LEU 86 -2.300 -5.132 5.800 680 H VAL 87 H VAL 87 -2.378 -3.256 10.367 681 HA VAL 87 HA VAL 87 -0.924 -5.627 10.595 682 HB VAL 87 HB VAL 87 -2.047 -3.538 12.489 683 1HG1 VAL 87 3HG1 VAL 87 -0.229 -5.883 13.113 684 2HG1 VAL 87 1HG1 VAL 87 -0.555 -4.501 14.202 685 3HG1 VAL 87 2HG1 VAL 87 -1.863 -5.603 13.757 686 1HG2 VAL 87 3HG2 VAL 87 -0.120 -2.973 10.859 687 2HG2 VAL 87 1HG2 VAL 87 0.146 -2.674 12.575 688 3HG2 VAL 87 2HG2 VAL 87 0.847 -4.108 11.805 689 H SER 88 H SER 88 -4.438 -4.845 11.533 690 HA SER 88 HA SER 88 -4.798 -7.497 12.500 691 1HB SER 88 1HB SER 88 -7.180 -7.267 11.705 692 2HB SER 88 2HB SER 88 -6.603 -6.405 13.134 693 HG SER 88 HG SER 88 -7.028 -4.606 12.164 694 H LEU 89 H LEU 89 -5.254 -6.309 9.075 695 HA LEU 89 HA LEU 89 -5.901 -8.867 8.209 696 1HB LEU 89 1HB LEU 89 -4.522 -6.564 6.818 697 2HB LEU 89 2HB LEU 89 -4.707 -8.101 6.062 698 HG LEU 89 HG LEU 89 -7.190 -7.992 6.717 699 1HD1 LEU 89 2HD1 LEU 89 -6.582 -5.045 6.721 700 2HD1 LEU 89 3HD1 LEU 89 -8.202 -5.774 6.593 701 3HD1 LEU 89 1HD1 LEU 89 -7.243 -6.049 8.043 702 1HD2 LEU 89 3HD2 LEU 89 -6.016 -6.376 4.426 703 2HD2 LEU 89 1HD2 LEU 89 -6.467 -8.098 4.416 704 3HD2 LEU 89 2HD2 LEU 89 -7.719 -6.873 4.560 705 H GLN 90 H GLN 90 -2.525 -7.670 8.905 706 HA GLN 90 HA GLN 90 -1.342 -10.132 7.997 707 1HB GLN 90 1HB GLN 90 -0.003 -8.089 8.500 708 2HB GLN 90 2HB GLN 90 -0.372 -8.276 10.214 709 1HG GLN 90 1HG GLN 90 0.735 -10.622 10.039 710 2HG GLN 90 2HG GLN 90 1.303 -10.109 8.450 711 1HE2 GLN 90 2HE2 GLN 90 4.210 -9.052 10.262 712 2HE2 GLN 90 1HE2 GLN 90 3.563 -10.145 9.050 713 H GLN 91 H GLN 91 -2.251 -9.113 11.372 714 HA GLN 91 HA GLN 91 -1.444 -11.462 12.557 715 1HB GLN 91 1HB GLN 91 -2.131 -8.829 13.217 716 2HB GLN 91 2HB GLN 91 -3.402 -9.724 14.016 717 1HG GLN 91 1HG GLN 91 -0.530 -10.622 14.283 718 2HG GLN 91 2HG GLN 91 -1.023 -9.119 15.040 719 1HE2 GLN 91 2HE2 GLN 91 -2.552 -12.723 16.507 720 2HE2 GLN 91 1HE2 GLN 91 -1.581 -12.654 15.057 721 H SER 92 H SER 92 -4.835 -10.440 11.703 722 HA SER 92 HA SER 92 -5.993 -12.903 12.766 723 1HB SER 92 1HB SER 92 -6.889 -10.362 11.467 724 2HB SER 92 2HB SER 92 -7.716 -11.796 10.917 725 HG SER 92 HG SER 92 -8.763 -10.976 12.637 726 H GLY 93 H GLY 93 -4.102 -11.946 9.997 727 1HA GLY 93 1HA GLY 93 -3.334 -13.299 8.324 728 2HA GLY 93 2HA GLY 93 -4.531 -14.533 8.738 729 H GLU 94 H GLU 94 -6.161 -11.431 8.467 730 HA GLU 94 HA GLU 94 -7.503 -12.518 6.171 731 1HB GLU 94 1HB GLU 94 -8.604 -11.350 7.934 732 2HB GLU 94 2HB GLU 94 -7.682 -9.889 7.661 733 1HG GLU 94 1HG GLU 94 -8.833 -9.484 5.553 734 2HG GLU 94 2HG GLU 94 -9.555 -11.104 5.592 735 H LEU 95 H LEU 95 -4.666 -10.528 6.472 736 HA LEU 95 HA LEU 95 -4.618 -9.232 3.947 737 1HB LEU 95 1HB LEU 95 -2.832 -9.457 6.105 738 2HB LEU 95 2HB LEU 95 -1.978 -10.292 4.888 739 HG LEU 95 HG LEU 95 -3.061 -7.458 4.794 740 1HD1 LEU 95 1HD1 LEU 95 -0.233 -8.551 5.021 741 2HD1 LEU 95 2HD1 LEU 95 -0.626 -6.847 4.793 742 3HD1 LEU 95 3HD1 LEU 95 -1.156 -7.676 6.260 743 1HD2 LEU 95 1HD2 LEU 95 -3.087 -8.388 2.491 744 2HD2 LEU 95 2HD2 LEU 95 -1.991 -7.030 2.717 745 3HD2 LEU 95 3HD2 LEU 95 -1.340 -8.676 2.657 746 H LEU 96 H LEU 96 -3.670 -12.491 4.954 747 HA LEU 96 HA LEU 96 -2.379 -13.295 2.496 748 1HB LEU 96 1HB LEU 96 -3.615 -14.910 4.734 749 2HB LEU 96 2HB LEU 96 -2.914 -15.607 3.288 750 HG LEU 96 HG LEU 96 -0.835 -14.037 3.841 751 1HD1 LEU 96 2HD1 LEU 96 -2.169 -14.345 6.566 752 2HD1 LEU 96 3HD1 LEU 96 -0.461 -13.936 6.334 753 3HD1 LEU 96 1HD1 LEU 96 -1.707 -12.833 5.766 754 1HD2 LEU 96 1HD2 LEU 96 -0.801 -16.446 3.664 755 2HD2 LEU 96 2HD2 LEU 96 0.183 -15.889 5.018 756 3HD2 LEU 96 3HD2 LEU 96 -1.431 -16.604 5.317 757 H THR 97 H THR 97 -5.734 -13.605 3.741 758 HA THR 97 HA THR 97 -6.817 -14.892 1.438 759 HB THR 97 HB THR 97 -8.293 -12.881 3.195 760 HG1 THR 97 HG1 THR 97 -7.097 -15.256 4.016 761 1HG2 THR 97 2HG2 THR 97 -9.520 -14.018 1.344 762 2HG2 THR 97 3HG2 THR 97 -9.132 -15.585 2.088 763 3HG2 THR 97 1HG2 THR 97 -10.153 -14.404 2.950 764 H ARG 98 H ARG 98 -6.727 -11.388 2.354 765 HA ARG 98 HA ARG 98 -7.896 -10.286 0.058 766 1HB ARG 98 1HB ARG 98 -7.239 -9.151 2.208 767 2HB ARG 98 2HB ARG 98 -5.582 -9.093 1.615 768 1HG ARG 98 1HG ARG 98 -6.021 -7.316 0.337 769 2HG ARG 98 2HG ARG 98 -7.339 -8.152 -0.506 770 1HD ARG 98 1HD ARG 98 -7.526 -6.597 2.051 771 2HD ARG 98 2HD ARG 98 -8.112 -6.139 0.430 772 HE ARG 98 HE ARG 98 -9.457 -8.431 0.809 773 1HH1 ARG 98 2HH2 ARG 98 -9.476 -5.427 2.582 774 2HH1 ARG 98 1HH2 ARG 98 -10.400 -5.994 3.944 775 1HH2 ARG 98 2HH1 ARG 98 -11.089 -9.091 2.312 776 2HH2 ARG 98 1HH1 ARG 98 -11.485 -8.150 3.699 777 H LEU 99 H LEU 99 -4.479 -11.148 0.595 778 HA LEU 99 HA LEU 99 -3.504 -10.211 -1.942 779 1HB LEU 99 1HB LEU 99 -2.567 -12.192 0.197 780 2HB LEU 99 2HB LEU 99 -1.598 -11.925 -1.221 781 HG LEU 99 HG LEU 99 -2.382 -9.645 0.607 782 1HD1 LEU 99 2HD1 LEU 99 0.043 -11.497 0.639 783 2HD1 LEU 99 3HD1 LEU 99 -0.066 -9.974 1.537 784 3HD1 LEU 99 1HD1 LEU 99 -1.171 -11.301 1.914 785 1HD2 LEU 99 1HD2 LEU 99 -0.248 -9.963 -1.536 786 2HD2 LEU 99 2HD2 LEU 99 -1.681 -8.938 -1.611 787 3HD2 LEU 99 3HD2 LEU 99 -0.400 -8.578 -0.438 788 H LYS 100 H LYS 100 -4.474 -13.527 -0.832 789 HA LYS 100 HA LYS 100 -3.840 -14.446 -3.494 790 1HB LYS 100 1HB LYS 100 -4.304 -15.674 -0.995 791 2HB LYS 100 2HB LYS 100 -5.552 -16.314 -2.052 792 1HG LYS 100 1HG LYS 100 -3.725 -16.593 -3.863 793 2HG LYS 100 2HG LYS 100 -2.534 -16.135 -2.679 794 1HD LYS 100 1HD LYS 100 -2.862 -18.117 -1.375 795 2HD LYS 100 2HD LYS 100 -4.432 -18.448 -2.081 796 1HE LYS 100 1HE LYS 100 -1.838 -18.564 -3.678 797 2HE LYS 100 2HE LYS 100 -2.519 -19.942 -2.814 798 1HZ LYS 100 1HZ LYS 100 -4.582 -19.598 -4.140 799 2HZ LYS 100 2HZ LYS 100 -3.788 -18.512 -5.076 800 3HZ LYS 100 3HZ LYS 100 -3.263 -20.054 -5.025 801 H GLN 101 H GLN 101 -6.726 -13.256 -2.066 802 HA GLN 101 HA GLN 101 -8.562 -13.777 -4.127 803 1HB GLN 101 1HB GLN 101 -8.919 -12.375 -2.005 804 2HB GLN 101 2HB GLN 101 -8.192 -11.032 -2.882 805 1HG GLN 101 1HG GLN 101 -10.535 -10.751 -2.968 806 2HG GLN 101 2HG GLN 101 -10.002 -11.179 -4.586 807 1HE2 GLN 101 2HE2 GLN 101 -12.729 -13.534 -2.708 808 2HE2 GLN 101 1HE2 GLN 101 -12.253 -11.985 -2.052 809 H ILE 102 H ILE 102 -5.632 -11.676 -4.281 810 HA ILE 102 HA ILE 102 -6.214 -11.249 -7.182 811 HB ILE 102 HB ILE 102 -4.938 -9.299 -7.146 812 1HG1 ILE 102 1HG1 ILE 102 -4.563 -9.174 -4.145 813 2HG1 ILE 102 2HG1 ILE 102 -3.541 -10.165 -5.091 814 1HG2 ILE 102 2HG2 ILE 102 -7.269 -9.178 -6.361 815 2HG2 ILE 102 3HG2 ILE 102 -6.688 -9.264 -4.669 816 3HG2 ILE 102 1HG2 ILE 102 -6.224 -7.885 -5.684 817 1HD1 ILE 102 1HD1 ILE 102 -3.960 -7.242 -5.727 818 2HD1 ILE 102 2HD1 ILE 102 -2.619 -7.871 -4.756 819 3HD1 ILE 102 3HD1 ILE 102 -2.758 -8.328 -6.462 820 H GLY 103 H GLY 103 -5.111 -13.708 -5.953 821 1HA GLY 103 1HA GLY 103 -3.760 -15.343 -6.710 822 2HA GLY 103 2HA GLY 103 -3.423 -14.318 -8.103 823 H ALA 104 H ALA 104 -2.520 -13.213 -4.900 824 HA ALA 104 HA ALA 104 0.173 -12.585 -5.793 825 1HB ALA 104 3HB ALA 104 -1.369 -12.584 -3.156 826 2HB ALA 104 1HB ALA 104 0.165 -11.740 -3.388 827 3HB ALA 104 2HB ALA 104 -1.317 -11.207 -4.269 828 H LEU 105 H LEU 105 -1.025 -14.795 -3.006 829 HA LEU 105 HA LEU 105 1.703 -15.359 -2.490 830 1HB LEU 105 1HB LEU 105 -0.482 -17.266 -1.851 831 2HB LEU 105 2HB LEU 105 0.950 -16.854 -0.979 832 HG LEU 105 HG LEU 105 -1.514 -15.105 -1.049 833 1HD1 LEU 105 3HD1 LEU 105 -1.713 -17.224 0.295 834 2HD1 LEU 105 1HD1 LEU 105 -0.314 -16.715 1.241 835 3HD1 LEU 105 2HD1 LEU 105 -1.813 -15.750 1.262 836 1HD2 LEU 105 1HD2 LEU 105 1.064 -14.755 0.525 837 2HD2 LEU 105 2HD2 LEU 105 0.515 -13.727 -0.808 838 3HD2 LEU 105 3HD2 LEU 105 -0.415 -13.788 0.705 839 H GLN 106 H GLN 106 2.895 -16.935 -3.297 840 HA GLN 106 HA GLN 106 2.098 -17.511 -6.054 841 1HB GLN 106 2HB GLN 106 3.953 -15.978 -5.487 842 2HB GLN 106 3HB GLN 106 4.876 -17.325 -4.830 843 1HG GLN 106 2HG GLN 106 5.024 -18.380 -7.005 844 2HG GLN 106 3HG GLN 106 3.816 -17.290 -7.687 845 1HE2 GLN 106 2HE2 GLN 106 7.137 -16.103 -8.897 846 2HE2 GLN 106 1HE2 GLN 106 6.110 -17.529 -9.115 No H/Q in entry = 846 No H/Q in entry = 846
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