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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 | stage | position | program | type |
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4357 |
1f6v ![]() ![]() |
cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 -6.371 13.762 20.081 2 2H GLY 1 2H GLY 1 -5.467 14.111 18.686 3 3H GLY 1 3H GLY 1 -4.873 13.003 19.828 4 1HA GLY 1 1HA GLY 1 -6.375 11.393 19.125 5 2HA GLY 1 2HA GLY 1 -7.531 12.573 18.436 6 H SER 2 H SER 2 -7.357 10.623 16.909 7 HA SER 2 HA SER 2 -5.115 9.114 16.187 8 1HB SER 2 2HB SER 2 -6.425 8.297 14.496 9 2HB SER 2 1HB SER 2 -7.691 9.181 15.346 10 HG SER 2 HG SER 2 -7.365 10.907 13.949 11 H ARG 3 H ARG 3 -3.388 9.418 14.776 12 HA ARG 3 HA ARG 3 -2.982 12.217 13.838 13 1HB ARG 3 2HB ARG 3 -0.833 10.124 13.767 14 2HB ARG 3 1HB ARG 3 -0.690 11.862 14.035 15 1HG ARG 3 2HG ARG 3 -0.412 11.174 16.209 16 2HG ARG 3 1HG ARG 3 -2.174 11.230 16.188 17 1HD ARG 3 2HD ARG 3 -2.374 8.962 16.271 18 2HD ARG 3 1HD ARG 3 -1.000 8.705 15.196 19 HE ARG 3 HE ARG 3 0.473 9.087 17.183 20 1HH1 ARG 3 2HH1 ARG 3 -2.066 10.151 18.710 21 2HH1 ARG 3 1HH1 ARG 3 -2.263 8.870 19.859 22 1HH2 ARG 3 1HH2 ARG 3 -0.122 6.700 18.203 23 2HH2 ARG 3 2HH2 ARG 3 -1.160 6.915 19.572 24 H ILE 4 H ILE 4 -4.725 10.401 12.395 25 HA ILE 4 HA ILE 4 -3.445 9.132 10.191 26 HB ILE 4 HB ILE 4 -5.682 9.476 9.043 27 1HG1 ILE 4 2HG1 ILE 4 -7.271 10.264 11.186 28 2HG1 ILE 4 1HG1 ILE 4 -5.902 11.375 11.259 29 1HG2 ILE 4 1HG2 ILE 4 -6.365 7.619 10.134 30 2HG2 ILE 4 2HG2 ILE 4 -6.512 8.487 11.663 31 3HG2 ILE 4 3HG2 ILE 4 -4.951 7.830 11.169 32 1HD1 ILE 4 1HD1 ILE 4 -6.535 12.446 9.368 33 2HD1 ILE 4 2HD1 ILE 4 -8.090 11.642 9.583 34 3HD1 ILE 4 3HD1 ILE 4 -6.868 10.932 8.527 35 H ALA 5 H ALA 5 -2.613 9.939 8.298 36 HA ALA 5 HA ALA 5 -2.221 12.824 8.083 37 1HB ALA 5 1HB ALA 5 -0.419 11.389 7.354 38 2HB ALA 5 2HB ALA 5 -1.069 12.191 5.924 39 3HB ALA 5 3HB ALA 5 -1.492 10.512 6.263 40 H LYS 6 H LYS 6 -2.503 13.474 5.470 41 HA LYS 6 HA LYS 6 -5.409 13.588 5.172 42 1HB LYS 6 2HB LYS 6 -3.228 15.156 4.319 43 2HB LYS 6 1HB LYS 6 -3.956 14.516 2.844 44 1HG LYS 6 2HG LYS 6 -5.672 15.697 5.022 45 2HG LYS 6 1HG LYS 6 -4.910 16.731 3.812 46 1HD LYS 6 2HD LYS 6 -6.457 16.166 2.277 47 2HD LYS 6 1HD LYS 6 -6.135 14.450 2.530 48 1HE LYS 6 2HE LYS 6 -8.123 14.258 3.565 49 2HE LYS 6 1HE LYS 6 -7.550 15.363 4.815 50 1HZ LYS 6 1HZ LYS 6 -8.891 16.930 4.046 51 2HZ LYS 6 2HZ LYS 6 -9.532 15.822 2.929 52 3HZ LYS 6 3HZ LYS 6 -8.223 16.813 2.492 53 H ARG 7 H ARG 7 -5.944 11.357 4.805 54 HA ARG 7 HA ARG 7 -4.771 9.636 2.908 55 1HB ARG 7 2HB ARG 7 -7.221 9.743 4.443 56 2HB ARG 7 1HB ARG 7 -7.548 9.140 2.820 57 1HG ARG 7 2HG ARG 7 -5.662 7.516 3.097 58 2HG ARG 7 1HG ARG 7 -5.487 8.062 4.766 59 1HD ARG 7 2HD ARG 7 -8.256 7.447 4.214 60 2HD ARG 7 1HD ARG 7 -7.237 6.066 3.806 61 HE ARG 7 HE ARG 7 -6.482 7.137 6.370 62 1HH1 ARG 7 2HH1 ARG 7 -7.386 4.317 5.082 63 2HH1 ARG 7 1HH1 ARG 7 -8.515 3.845 6.308 64 1HH2 ARG 7 1HH2 ARG 7 -8.596 6.969 7.810 65 2HH2 ARG 7 2HH2 ARG 7 -9.200 5.346 7.852 66 H THR 8 H THR 8 -5.718 9.000 0.758 67 HA THR 8 HA THR 8 -6.539 9.516 -1.388 68 HB THR 8 HB THR 8 -7.632 12.087 -0.235 69 HG1 THR 8 HG1 THR 8 -9.242 10.992 0.616 70 1HG2 THR 8 1HG2 THR 8 -8.049 10.408 -2.668 71 2HG2 THR 8 2HG2 THR 8 -7.982 12.163 -2.513 72 3HG2 THR 8 3HG2 THR 8 -9.431 11.289 -2.014 73 H ALA 9 H ALA 9 -4.133 10.923 0.183 74 HA ALA 9 HA ALA 9 -3.550 13.366 -1.098 75 1HB ALA 9 1HB ALA 9 -2.231 11.748 0.688 76 2HB ALA 9 2HB ALA 9 -1.540 13.189 -0.059 77 3HB ALA 9 3HB ALA 9 -1.220 11.599 -0.748 78 H ILE 10 H ILE 10 -1.276 13.214 -2.578 79 HA ILE 10 HA ILE 10 -2.191 11.735 -5.005 80 HB ILE 10 HB ILE 10 -0.333 14.121 -4.789 81 1HG1 ILE 10 2HG1 ILE 10 -2.772 14.633 -6.207 82 2HG1 ILE 10 1HG1 ILE 10 -3.177 13.943 -4.636 83 1HG2 ILE 10 1HG2 ILE 10 -1.413 12.486 -7.078 84 2HG2 ILE 10 2HG2 ILE 10 0.244 13.017 -6.783 85 3HG2 ILE 10 3HG2 ILE 10 -0.972 14.178 -7.314 86 1HD1 ILE 10 1HD1 ILE 10 -2.602 15.847 -3.580 87 2HD1 ILE 10 2HD1 ILE 10 -2.418 16.601 -5.163 88 3HD1 ILE 10 3HD1 ILE 10 -1.026 15.865 -4.371 89 H ASN 11 H ASN 11 -1.115 9.759 -4.200 90 HA ASN 11 HA ASN 11 1.788 9.779 -3.838 91 1HB ASN 11 2HB ASN 11 0.372 8.124 -2.671 92 2HB ASN 11 1HB ASN 11 -0.139 7.465 -4.225 93 1HD2 ASN 11 1HD2 ASN 11 3.102 8.463 -2.986 94 2HD2 ASN 11 2HD2 ASN 11 3.852 6.982 -3.338 95 H LYS 12 H LYS 12 3.108 10.038 -5.596 96 HA LYS 12 HA LYS 12 3.902 9.882 -7.800 97 1HB LYS 12 2HB LYS 12 2.684 7.247 -7.159 98 2HB LYS 12 1HB LYS 12 3.035 7.562 -8.859 99 1HG LYS 12 2HG LYS 12 5.094 6.752 -8.238 100 2HG LYS 12 1HG LYS 12 5.338 8.442 -7.797 101 1HD LYS 12 2HD LYS 12 4.842 8.013 -5.499 102 2HD LYS 12 1HD LYS 12 4.231 6.400 -5.863 103 1HE LYS 12 2HE LYS 12 6.774 6.300 -6.912 104 2HE LYS 12 1HE LYS 12 7.002 7.308 -5.482 105 1HZ LYS 12 1HZ LYS 12 7.078 4.715 -5.321 106 2HZ LYS 12 2HZ LYS 12 5.388 4.874 -5.240 107 3HZ LYS 12 3HZ LYS 12 6.372 5.639 -4.086 108 H THR 13 H THR 13 0.924 10.778 -7.211 109 HA THR 13 HA THR 13 -0.981 11.322 -8.492 110 HB THR 13 HB THR 13 0.442 11.816 -10.964 111 HG1 THR 13 HG1 THR 13 2.332 12.053 -10.040 112 1HG2 THR 13 1HG2 THR 13 -1.548 12.985 -9.597 113 2HG2 THR 13 2HG2 THR 13 -0.552 13.876 -10.748 114 3HG2 THR 13 3HG2 THR 13 -0.209 13.977 -9.020 115 H LYS 14 H LYS 14 -1.603 11.039 -11.153 116 HA LYS 14 HA LYS 14 -1.696 8.084 -11.444 117 1HB LYS 14 2HB LYS 14 -3.282 10.125 -13.021 118 2HB LYS 14 1HB LYS 14 -3.628 8.407 -12.819 119 1HG LYS 14 2HG LYS 14 -4.708 8.757 -10.868 120 2HG LYS 14 1HG LYS 14 -3.417 9.792 -10.256 121 1HD LYS 14 2HD LYS 14 -5.660 10.944 -10.561 122 2HD LYS 14 1HD LYS 14 -4.305 11.714 -11.388 123 1HE LYS 14 2HE LYS 14 -5.455 9.703 -13.101 124 2HE LYS 14 1HE LYS 14 -6.723 10.794 -12.541 125 1HZ LYS 14 1HZ LYS 14 -4.225 11.482 -13.971 126 2HZ LYS 14 2HZ LYS 14 -5.153 12.647 -13.156 127 3HZ LYS 14 3HZ LYS 14 -5.823 11.779 -14.454 128 H LYS 15 H LYS 15 -1.021 11.058 -13.280 129 HA LYS 15 HA LYS 15 -0.130 9.729 -15.667 130 1HB LYS 15 2HB LYS 15 -0.671 12.038 -15.882 131 2HB LYS 15 1HB LYS 15 0.346 12.484 -14.512 132 1HG LYS 15 2HG LYS 15 2.275 12.432 -15.751 133 2HG LYS 15 1HG LYS 15 1.707 11.113 -16.775 134 1HD LYS 15 2HD LYS 15 0.110 13.534 -17.113 135 2HD LYS 15 1HD LYS 15 1.812 13.802 -17.489 136 1HE LYS 15 2HE LYS 15 0.688 11.281 -18.544 137 2HE LYS 15 1HE LYS 15 0.013 12.749 -19.250 138 1HZ LYS 15 1HZ LYS 15 2.918 12.566 -18.928 139 2HZ LYS 15 2HZ LYS 15 2.010 13.370 -20.116 140 3HZ LYS 15 3HZ LYS 15 2.197 11.682 -20.182 141 H ALA 16 H ALA 16 1.554 10.916 -12.765 142 HA ALA 16 HA ALA 16 4.106 9.816 -13.771 143 1HB ALA 16 1HB ALA 16 4.324 10.674 -11.058 144 2HB ALA 16 2HB ALA 16 3.360 11.873 -11.922 145 3HB ALA 16 3HB ALA 16 4.975 11.457 -12.499 146 H ASP 17 H ASP 17 1.640 8.224 -12.881 147 HA ASP 17 HA ASP 17 2.376 6.811 -10.467 148 1HB ASP 17 2HB ASP 17 0.070 6.871 -11.348 149 2HB ASP 17 1HB ASP 17 0.593 5.968 -12.770 150 H VAL 18 H VAL 18 3.091 6.365 -13.900 151 HA VAL 18 HA VAL 18 4.648 3.920 -13.187 152 HB VAL 18 HB VAL 18 4.069 4.838 -16.002 153 1HG1 VAL 18 1HG1 VAL 18 4.781 2.242 -14.629 154 2HG1 VAL 18 2HG1 VAL 18 5.662 3.077 -15.910 155 3HG1 VAL 18 3HG1 VAL 18 4.131 2.278 -16.269 156 1HG2 VAL 18 1HG2 VAL 18 2.239 2.822 -15.397 157 2HG2 VAL 18 2HG2 VAL 18 1.860 4.533 -15.600 158 3HG2 VAL 18 3HG2 VAL 18 2.174 3.883 -13.991 159 H LYS 19 H LYS 19 4.965 7.232 -14.016 160 HA LYS 19 HA LYS 19 7.665 6.921 -15.148 161 1HB LYS 19 2HB LYS 19 7.663 9.254 -15.480 162 2HB LYS 19 1HB LYS 19 5.964 8.832 -15.672 163 1HG LYS 19 2HG LYS 19 5.749 10.593 -14.198 164 2HG LYS 19 1HG LYS 19 5.936 9.276 -13.040 165 1HD LYS 19 2HD LYS 19 7.775 10.285 -12.228 166 2HD LYS 19 1HD LYS 19 8.551 10.088 -13.801 167 1HE LYS 19 2HE LYS 19 7.040 12.203 -14.402 168 2HE LYS 19 1HE LYS 19 7.150 12.470 -12.661 169 1HZ LYS 19 1HZ LYS 19 8.946 13.500 -14.081 170 2HZ LYS 19 2HZ LYS 19 9.532 11.925 -14.331 171 3HZ LYS 19 3HZ LYS 19 9.474 12.574 -12.762 172 H ALA 20 H ALA 20 6.144 7.691 -12.087 173 HA ALA 20 HA ALA 20 8.524 8.484 -10.661 174 1HB ALA 20 1HB ALA 20 7.114 7.662 -8.651 175 2HB ALA 20 2HB ALA 20 5.837 7.379 -9.834 176 3HB ALA 20 3HB ALA 20 6.472 9.007 -9.594 177 H ILE 21 H ILE 21 6.840 5.381 -11.113 178 HA ILE 21 HA ILE 21 8.397 3.720 -9.503 179 HB ILE 21 HB ILE 21 7.445 3.106 -12.313 180 1HG1 ILE 21 2HG1 ILE 21 5.414 3.515 -11.341 181 2HG1 ILE 21 1HG1 ILE 21 5.653 1.904 -10.681 182 1HG2 ILE 21 1HG2 ILE 21 7.447 0.911 -10.438 183 2HG2 ILE 21 2HG2 ILE 21 9.057 1.623 -10.570 184 3HG2 ILE 21 3HG2 ILE 21 8.233 1.039 -12.012 185 1HD1 ILE 21 1HD1 ILE 21 5.042 3.269 -8.825 186 2HD1 ILE 21 2HD1 ILE 21 6.135 4.560 -9.322 187 3HD1 ILE 21 3HD1 ILE 21 6.787 3.050 -8.688 188 H ALA 22 H ALA 22 9.378 5.452 -12.362 189 HA ALA 22 HA ALA 22 11.823 3.805 -12.641 190 1HB ALA 22 1HB ALA 22 10.543 4.677 -14.641 191 2HB ALA 22 2HB ALA 22 12.260 5.082 -14.635 192 3HB ALA 22 3HB ALA 22 11.066 6.298 -14.182 193 H ASP 23 H ASP 23 11.147 7.312 -12.185 194 HA ASP 23 HA ASP 23 13.904 7.631 -11.130 195 1HB ASP 23 2HB ASP 23 12.874 9.238 -12.801 196 2HB ASP 23 1HB ASP 23 11.801 9.771 -11.505 197 H ALA 24 H ALA 24 11.518 6.336 -9.626 198 HA ALA 24 HA ALA 24 11.209 8.239 -7.383 199 1HB ALA 24 1HB ALA 24 9.885 5.604 -7.993 200 2HB ALA 24 2HB ALA 24 9.166 7.212 -8.067 201 3HB ALA 24 3HB ALA 24 9.601 6.511 -6.507 202 H TRP 25 H TRP 25 12.213 4.824 -7.713 203 HA TRP 25 HA TRP 25 13.300 5.041 -4.968 204 1HB TRP 25 2HB TRP 25 13.544 2.408 -6.198 205 2HB TRP 25 1HB TRP 25 12.740 2.883 -4.718 206 HD1 TRP 25 HD1 TRP 25 10.526 4.839 -6.148 207 HE1 TRP 25 HE1 TRP 25 8.638 3.767 -7.491 208 HE3 TRP 25 HE3 TRP 25 12.499 0.194 -6.949 209 HZ2 TRP 25 HZ2 TRP 25 8.039 1.288 -8.727 210 HZ3 TRP 25 HZ3 TRP 25 11.212 -1.476 -8.209 211 HH2 TRP 25 HH2 TRP 25 8.998 -0.932 -9.105 212 H GLN 26 H GLN 26 15.195 2.696 -5.695 213 HA GLN 26 HA GLN 26 17.510 4.335 -6.090 214 1HB GLN 26 2HB GLN 26 17.577 2.126 -4.962 215 2HB GLN 26 1HB GLN 26 17.252 1.346 -6.512 216 1HG GLN 26 2HG GLN 26 19.604 1.265 -6.351 217 2HG GLN 26 1HG GLN 26 19.312 2.677 -7.368 218 1HE2 GLN 26 1HE2 GLN 26 21.185 3.880 -6.700 219 2HE2 GLN 26 2HE2 GLN 26 21.379 4.462 -5.118 220 H ILE 27 H ILE 27 16.915 5.518 -8.048 221 HA ILE 27 HA ILE 27 17.336 3.927 -10.536 222 HB ILE 27 HB ILE 27 15.401 4.844 -11.256 223 1HG1 ILE 27 2HG1 ILE 27 17.161 6.562 -12.126 224 2HG1 ILE 27 1HG1 ILE 27 15.457 7.005 -12.194 225 1HG2 ILE 27 1HG2 ILE 27 15.497 6.827 -8.981 226 2HG2 ILE 27 2HG2 ILE 27 14.868 5.194 -8.833 227 3HG2 ILE 27 3HG2 ILE 27 14.076 6.350 -9.890 228 1HD1 ILE 27 1HD1 ILE 27 17.191 8.708 -11.198 229 2HD1 ILE 27 2HD1 ILE 27 17.067 7.704 -9.754 230 3HD1 ILE 27 3HD1 ILE 27 15.633 8.495 -10.402 231 H ASN 28 H ASN 28 18.339 6.566 -8.538 232 HA ASN 28 HA ASN 28 20.778 6.871 -10.147 233 1HB ASN 28 2HB ASN 28 19.046 8.541 -11.031 234 2HB ASN 28 1HB ASN 28 19.160 9.332 -9.457 235 1HD2 ASN 28 1HD2 ASN 28 21.074 10.540 -8.978 236 2HD2 ASN 28 2HD2 ASN 28 22.309 10.797 -10.108 237 H GLY 29 H GLY 29 18.901 8.209 -7.424 238 1HA GLY 29 2HA GLY 29 19.916 7.707 -5.148 239 2HA GLY 29 1HA GLY 29 21.440 8.239 -5.859 240 H GLU 30 H GLU 30 20.136 10.375 -7.409 241 HA GLU 30 HA GLU 30 19.568 12.240 -5.154 242 1HB GLU 30 2HB GLU 30 21.657 12.903 -6.093 243 2HB GLU 30 1HB GLU 30 21.072 12.668 -7.740 244 1HG GLU 30 2HG GLU 30 20.324 14.787 -7.813 245 2HG GLU 30 1HG GLU 30 19.340 14.517 -6.374 246 H LYS 31 H LYS 31 18.649 11.133 -8.342 247 HA LYS 31 HA LYS 31 16.565 13.182 -8.645 248 1HB LYS 31 2HB LYS 31 17.289 10.698 -10.222 249 2HB LYS 31 1HB LYS 31 15.922 11.734 -10.636 250 1HG LYS 31 2HG LYS 31 17.467 12.844 -11.896 251 2HG LYS 31 1HG LYS 31 17.894 13.594 -10.357 252 1HD LYS 31 2HD LYS 31 19.536 11.704 -9.996 253 2HD LYS 31 1HD LYS 31 19.213 11.197 -11.654 254 1HE LYS 31 2HE LYS 31 19.870 14.069 -11.259 255 2HE LYS 31 1HE LYS 31 21.189 12.923 -11.020 256 1HZ LYS 31 1HZ LYS 31 20.725 13.831 -13.369 257 2HZ LYS 31 2HZ LYS 31 19.450 12.708 -13.386 258 3HZ LYS 31 3HZ LYS 31 21.051 12.176 -13.181 259 H GLU 32 H GLU 32 16.876 9.957 -7.352 260 HA GLU 32 HA GLU 32 13.981 9.487 -7.336 261 1HB GLU 32 2HB GLU 32 14.589 7.525 -5.892 262 2HB GLU 32 1HB GLU 32 15.413 7.535 -7.444 263 1HG GLU 32 2HG GLU 32 17.334 7.326 -6.273 264 2HG GLU 32 1HG GLU 32 17.106 9.008 -5.799 265 H LEU 33 H LEU 33 16.458 10.579 -5.049 266 HA LEU 33 HA LEU 33 14.874 10.548 -2.700 267 1HB LEU 33 2HB LEU 33 16.474 12.018 -1.753 268 2HB LEU 33 1HB LEU 33 17.386 11.100 -2.949 269 HG LEU 33 HG LEU 33 16.699 13.061 -4.563 270 1HD1 LEU 33 1HD1 LEU 33 15.467 14.653 -3.536 271 2HD1 LEU 33 2HD1 LEU 33 16.937 15.097 -2.669 272 3HD1 LEU 33 3HD1 LEU 33 15.790 13.971 -1.943 273 1HD2 LEU 33 1HD2 LEU 33 18.861 13.754 -4.330 274 2HD2 LEU 33 2HD2 LEU 33 18.973 12.410 -3.192 275 3HD2 LEU 33 3HD2 LEU 33 18.683 14.046 -2.600 276 H GLU 34 H GLU 34 15.006 12.836 -5.380 277 HA GLU 34 HA GLU 34 13.507 14.938 -4.210 278 1HB GLU 34 2HB GLU 34 14.817 14.842 -6.456 279 2HB GLU 34 1HB GLU 34 13.311 14.204 -7.124 280 1HG GLU 34 2HG GLU 34 12.157 16.169 -6.772 281 2HG GLU 34 1HG GLU 34 13.161 16.611 -5.391 282 H LEU 35 H LEU 35 12.354 12.323 -6.418 283 HA LEU 35 HA LEU 35 9.651 12.925 -6.347 284 1HB LEU 35 2HB LEU 35 10.719 11.038 -7.654 285 2HB LEU 35 1HB LEU 35 10.741 10.102 -6.161 286 HG LEU 35 HG LEU 35 8.708 9.873 -7.845 287 1HD1 LEU 35 1HD1 LEU 35 8.963 8.823 -5.563 288 2HD1 LEU 35 2HD1 LEU 35 7.298 9.216 -5.992 289 3HD1 LEU 35 3HD1 LEU 35 8.191 10.254 -4.887 290 1HD2 LEU 35 1HD2 LEU 35 7.925 12.267 -6.155 291 2HD2 LEU 35 2HD2 LEU 35 6.868 11.403 -7.272 292 3HD2 LEU 35 3HD2 LEU 35 8.247 12.315 -7.886 293 H LEU 36 H LEU 36 11.243 10.637 -4.080 294 HA LEU 36 HA LEU 36 8.954 10.477 -2.387 295 1HB LEU 36 2HB LEU 36 11.155 8.996 -2.533 296 2HB LEU 36 1HB LEU 36 11.713 10.108 -1.280 297 HG LEU 36 HG LEU 36 10.565 8.067 -0.367 298 1HD1 LEU 36 1HD1 LEU 36 8.785 10.371 0.284 299 2HD1 LEU 36 2HD1 LEU 36 10.509 10.606 0.531 300 3HD1 LEU 36 3HD1 LEU 36 9.666 9.302 1.368 301 1HD2 LEU 36 1HD2 LEU 36 8.788 8.573 -2.435 302 2HD2 LEU 36 2HD2 LEU 36 7.907 9.131 -1.015 303 3HD2 LEU 36 3HD2 LEU 36 8.494 7.470 -1.092 304 H GLN 37 H GLN 37 11.440 12.836 -2.735 305 HA GLN 37 HA GLN 37 11.367 13.978 -0.124 306 1HB GLN 37 2HB GLN 37 13.040 14.555 -1.900 307 2HB GLN 37 1HB GLN 37 11.774 15.425 -2.763 308 1HG GLN 37 2HG GLN 37 11.464 16.901 -0.802 309 2HG GLN 37 1HG GLN 37 12.758 16.042 0.038 310 1HE2 GLN 37 1HE2 GLN 37 14.210 15.740 -2.668 311 2HE2 GLN 37 2HE2 GLN 37 14.924 17.255 -2.925 312 H GLN 38 H GLN 38 8.996 13.761 -2.525 313 HA GLN 38 HA GLN 38 7.251 15.550 -0.966 314 1HB GLN 38 2HB GLN 38 8.408 16.418 -3.360 315 2HB GLN 38 1HB GLN 38 6.794 15.880 -3.828 316 1HG GLN 38 2HG GLN 38 5.887 17.242 -1.893 317 2HG GLN 38 1HG GLN 38 7.506 17.918 -1.704 318 1HE2 GLN 38 1HE2 GLN 38 4.611 18.714 -3.027 319 2HE2 GLN 38 2HE2 GLN 38 5.126 19.635 -4.356 320 H ILE 39 H ILE 39 7.642 12.552 -1.694 321 HA ILE 39 HA ILE 39 4.875 12.181 -2.703 322 HB ILE 39 HB ILE 39 7.345 10.639 -3.329 323 1HG1 ILE 39 2HG1 ILE 39 6.664 12.396 -4.875 324 2HG1 ILE 39 1HG1 ILE 39 6.325 10.832 -5.614 325 1HG2 ILE 39 1HG2 ILE 39 5.918 8.847 -4.244 326 2HG2 ILE 39 2HG2 ILE 39 4.483 9.668 -3.631 327 3HG2 ILE 39 3HG2 ILE 39 5.667 9.001 -2.506 328 1HD1 ILE 39 1HD1 ILE 39 4.213 11.538 -5.917 329 2HD1 ILE 39 2HD1 ILE 39 4.482 12.959 -4.909 330 3HD1 ILE 39 3HD1 ILE 39 4.013 11.428 -4.169 331 H ALA 40 H ALA 40 7.295 10.813 -0.462 332 HA ALA 40 HA ALA 40 5.362 8.871 0.580 333 1HB ALA 40 1HB ALA 40 7.836 8.498 0.753 334 2HB ALA 40 2HB ALA 40 7.007 8.376 2.299 335 3HB ALA 40 3HB ALA 40 7.915 9.832 1.900 336 H GLN 41 H GLN 41 5.684 12.132 0.823 337 HA GLN 41 HA GLN 41 4.552 12.230 3.561 338 1HB GLN 41 2HB GLN 41 5.445 14.566 1.898 339 2HB GLN 41 1HB GLN 41 5.292 14.483 3.655 340 1HG GLN 41 2HG GLN 41 7.245 13.242 3.904 341 2HG GLN 41 1HG GLN 41 7.153 12.570 2.288 342 1HE2 GLN 41 1HE2 GLN 41 9.285 13.218 1.690 343 2HE2 GLN 41 2HE2 GLN 41 9.705 14.841 1.456 344 H LYS 42 H LYS 42 3.771 12.389 0.290 345 HA LYS 42 HA LYS 42 1.043 13.324 1.046 346 1HB LYS 42 2HB LYS 42 0.969 14.521 -1.213 347 2HB LYS 42 1HB LYS 42 1.942 15.282 0.046 348 1HG LYS 42 2HG LYS 42 3.553 15.312 -1.562 349 2HG LYS 42 1HG LYS 42 3.790 13.632 -1.089 350 1HD LYS 42 2HD LYS 42 3.550 13.733 -3.505 351 2HD LYS 42 1HD LYS 42 2.124 12.957 -2.828 352 1HE LYS 42 2HE LYS 42 1.844 14.869 -4.615 353 2HE LYS 42 1HE LYS 42 0.763 14.809 -3.223 354 1HZ LYS 42 1HZ LYS 42 3.260 16.410 -3.356 355 2HZ LYS 42 2HZ LYS 42 2.123 16.411 -2.093 356 3HZ LYS 42 3HZ LYS 42 1.703 17.031 -3.618 357 HA PRO 43 HA PRO 43 1.316 9.682 -2.040 358 1HB PRO 43 2HB PRO 43 1.201 7.545 -0.319 359 2HB PRO 43 1HB PRO 43 2.717 8.207 -0.959 360 1HG PRO 43 2HG PRO 43 1.505 8.557 1.761 361 2HG PRO 43 1HG PRO 43 3.212 8.492 1.289 362 1HD PRO 43 2HD PRO 43 1.852 10.861 1.864 363 2HD PRO 43 1HD PRO 43 3.312 10.738 0.870 364 H GLY 44 H GLY 44 -0.179 8.511 0.949 365 1HA GLY 44 2HA GLY 44 -2.427 8.089 1.474 366 2HA GLY 44 1HA GLY 44 -2.821 9.484 0.466 367 H ALA 45 H ALA 45 -0.970 7.156 -1.180 368 HA ALA 45 HA ALA 45 -3.312 5.644 -2.128 369 1HB ALA 45 1HB ALA 45 -3.625 7.331 -3.672 370 2HB ALA 45 2HB ALA 45 -2.489 6.310 -4.555 371 3HB ALA 45 3HB ALA 45 -1.913 7.752 -3.718 372 H LEU 46 H LEU 46 -0.032 5.654 -1.349 373 HA LEU 46 HA LEU 46 1.249 4.110 -3.275 374 1HB LEU 46 2HB LEU 46 1.641 4.657 -0.502 375 2HB LEU 46 1HB LEU 46 1.802 2.915 -0.723 376 HG LEU 46 HG LEU 46 3.202 4.923 -2.502 377 1HD1 LEU 46 1HD1 LEU 46 4.757 5.253 -0.908 378 2HD1 LEU 46 2HD1 LEU 46 4.960 3.512 -0.706 379 3HD1 LEU 46 3HD1 LEU 46 3.735 4.372 0.228 380 1HD2 LEU 46 1HD2 LEU 46 3.950 2.055 -1.924 381 2HD2 LEU 46 2HD2 LEU 46 4.426 3.057 -3.296 382 3HD2 LEU 46 3HD2 LEU 46 2.772 2.456 -3.174 383 H ARG 47 H ARG 47 0.056 2.415 -0.418 384 HA ARG 47 HA ARG 47 -0.413 -0.007 -0.548 385 1HB ARG 47 2HB ARG 47 -2.914 1.589 -1.152 386 2HB ARG 47 1HB ARG 47 -2.864 -0.020 -0.435 387 1HG ARG 47 2HG ARG 47 -1.230 2.093 0.888 388 2HG ARG 47 1HG ARG 47 -2.981 2.212 1.064 389 1HD ARG 47 2HD ARG 47 -3.089 -0.061 1.944 390 2HD ARG 47 1HD ARG 47 -1.361 -0.278 1.669 391 HE ARG 47 HE ARG 47 -1.210 0.596 3.859 392 1HH1 ARG 47 2HH1 ARG 47 -4.107 1.763 2.582 393 2HH1 ARG 47 1HH1 ARG 47 -4.092 3.252 3.467 394 1HH2 ARG 47 1HH2 ARG 47 -0.908 2.772 4.744 395 2HH2 ARG 47 2HH2 ARG 47 -2.284 3.822 4.689 396 H ILE 48 H ILE 48 -2.616 1.331 -3.010 397 HA ILE 48 HA ILE 48 -2.944 -0.887 -4.595 398 HB ILE 48 HB ILE 48 -2.570 1.988 -5.468 399 1HG1 ILE 48 2HG1 ILE 48 -4.486 1.329 -3.928 400 2HG1 ILE 48 1HG1 ILE 48 -4.975 2.053 -5.460 401 1HG2 ILE 48 1HG2 ILE 48 -2.976 -0.492 -7.030 402 2HG2 ILE 48 2HG2 ILE 48 -2.353 1.075 -7.546 403 3HG2 ILE 48 3HG2 ILE 48 -4.092 0.818 -7.411 404 1HD1 ILE 48 1HD1 ILE 48 -4.937 -0.898 -4.774 405 2HD1 ILE 48 2HD1 ILE 48 -5.241 -0.267 -6.393 406 3HD1 ILE 48 3HD1 ILE 48 -6.358 0.100 -5.080 407 H LEU 49 H LEU 49 -0.411 1.538 -5.386 408 HA LEU 49 HA LEU 49 0.987 -0.463 -7.018 409 1HB LEU 49 2HB LEU 49 2.500 1.980 -6.403 410 2HB LEU 49 1HB LEU 49 2.062 1.301 -7.967 411 HG LEU 49 HG LEU 49 -0.366 2.151 -7.225 412 1HD1 LEU 49 1HD1 LEU 49 1.404 3.271 -5.264 413 2HD1 LEU 49 2HD1 LEU 49 -0.339 3.500 -5.422 414 3HD1 LEU 49 3HD1 LEU 49 0.773 4.581 -6.262 415 1HD2 LEU 49 1HD2 LEU 49 1.905 3.744 -8.439 416 2HD2 LEU 49 2HD2 LEU 49 0.239 4.324 -8.423 417 3HD2 LEU 49 3HD2 LEU 49 0.650 2.841 -9.285 418 H ASN 50 H ASN 50 1.160 0.718 -3.754 419 HA ASN 50 HA ASN 50 3.885 0.187 -3.173 420 1HB ASN 50 2HB ASN 50 2.217 1.301 -1.623 421 2HB ASN 50 1HB ASN 50 1.571 -0.301 -1.285 422 1HD2 ASN 50 1HD2 ASN 50 5.036 0.457 -1.804 423 2HD2 ASN 50 2HD2 ASN 50 5.528 0.012 -0.246 424 H HIS 51 H HIS 51 1.138 -1.963 -3.511 425 HA HIS 51 HA HIS 51 1.897 -4.275 -2.214 426 1HB HIS 51 2HB HIS 51 -0.121 -4.168 -3.593 427 2HB HIS 51 1HB HIS 51 0.852 -4.013 -5.055 428 HD1 HIS 51 HD1 HIS 51 0.665 -6.486 -2.137 429 HD2 HIS 51 HD2 HIS 51 1.143 -6.451 -6.276 430 HE1 HIS 51 HE1 HIS 51 0.806 -8.907 -2.864 431 H SER 52 H SER 52 3.373 -2.805 -5.032 432 HA SER 52 HA SER 52 5.547 -4.832 -4.845 433 1HB SER 52 2HB SER 52 5.123 -3.609 -7.478 434 2HB SER 52 1HB SER 52 5.379 -5.298 -7.053 435 HG SER 52 HG SER 52 3.132 -5.141 -6.208 436 H LEU 53 H LEU 53 4.663 -1.615 -4.546 437 HA LEU 53 HA LEU 53 7.165 -0.511 -5.605 438 1HB LEU 53 2HB LEU 53 4.593 0.561 -5.003 439 2HB LEU 53 1HB LEU 53 5.756 1.384 -3.964 440 HG LEU 53 HG LEU 53 7.043 2.139 -5.816 441 1HD1 LEU 53 1HD1 LEU 53 6.294 1.327 -8.173 442 2HD1 LEU 53 2HD1 LEU 53 5.539 0.005 -7.290 443 3HD1 LEU 53 3HD1 LEU 53 7.274 0.248 -7.184 444 1HD2 LEU 53 1HD2 LEU 53 4.336 2.262 -7.100 445 2HD2 LEU 53 2HD2 LEU 53 5.542 3.535 -6.916 446 3HD2 LEU 53 3HD2 LEU 53 4.565 3.039 -5.533 447 H ARG 54 H ARG 54 6.129 -1.986 -2.767 448 HA ARG 54 HA ARG 54 7.604 -0.555 -0.784 449 1HB ARG 54 2HB ARG 54 6.084 -2.261 -0.040 450 2HB ARG 54 1HB ARG 54 6.845 -3.478 -1.066 451 1HG ARG 54 2HG ARG 54 8.636 -3.761 0.358 452 2HG ARG 54 1HG ARG 54 8.570 -2.098 0.942 453 1HD ARG 54 2HD ARG 54 7.658 -3.067 2.797 454 2HD ARG 54 1HD ARG 54 6.178 -3.020 1.840 455 HE ARG 54 HE ARG 54 7.321 -5.420 1.108 456 1HH1 ARG 54 2HH1 ARG 54 5.089 -4.510 3.273 457 2HH1 ARG 54 1HH1 ARG 54 5.436 -5.700 4.482 458 1HH2 ARG 54 1HH2 ARG 54 8.416 -6.700 3.018 459 2HH2 ARG 54 2HH2 ARG 54 7.319 -6.942 4.338 460 H LEU 55 H LEU 55 8.550 -2.440 -3.482 461 HA LEU 55 HA LEU 55 11.126 -3.365 -2.614 462 1HB LEU 55 2HB LEU 55 9.580 -3.261 -5.071 463 2HB LEU 55 1HB LEU 55 11.262 -2.831 -5.376 464 HG LEU 55 HG LEU 55 10.690 -5.324 -5.497 465 1HD1 LEU 55 1HD1 LEU 55 12.744 -5.420 -3.523 466 2HD1 LEU 55 2HD1 LEU 55 12.930 -3.908 -4.412 467 3HD1 LEU 55 3HD1 LEU 55 12.923 -5.444 -5.277 468 1HD2 LEU 55 1HD2 LEU 55 10.893 -5.243 -2.496 469 2HD2 LEU 55 2HD2 LEU 55 10.243 -6.514 -3.531 470 3HD2 LEU 55 3HD2 LEU 55 9.321 -5.034 -3.267 471 H ALA 56 H ALA 56 9.959 -0.361 -4.034 472 HA ALA 56 HA ALA 56 12.061 1.052 -4.943 473 1HB ALA 56 1HB ALA 56 9.909 2.119 -4.517 474 2HB ALA 56 2HB ALA 56 11.185 3.072 -3.760 475 3HB ALA 56 3HB ALA 56 10.171 2.017 -2.777 476 H ALA 57 H ALA 57 11.659 0.102 -1.560 477 HA ALA 57 HA ALA 57 14.327 1.282 -0.941 478 1HB ALA 57 1HB ALA 57 13.221 1.938 0.920 479 2HB ALA 57 2HB ALA 57 13.281 0.249 1.422 480 3HB ALA 57 3HB ALA 57 11.862 0.869 0.577 481 H MET 58 H MET 58 12.499 -1.733 -1.034 482 HA MET 58 HA MET 58 14.499 -3.378 0.229 483 1HB MET 58 2HB MET 58 11.930 -3.742 -0.948 484 2HB MET 58 1HB MET 58 13.036 -4.876 -1.723 485 1HG MET 58 2HG MET 58 13.582 -5.928 0.303 486 2HG MET 58 1HG MET 58 13.045 -4.554 1.270 487 1HE MET 58 1HE MET 58 10.580 -7.307 -1.289 488 2HE MET 58 2HE MET 58 11.576 -8.175 -0.124 489 3HE MET 58 3HE MET 58 12.327 -7.032 -1.235 490 H THR 59 H THR 59 16.538 -2.942 -0.686 491 HA THR 59 HA THR 59 16.841 -3.376 -3.611 492 HB THR 59 HB THR 59 17.897 -1.385 -2.365 493 HG1 THR 59 HG1 THR 59 19.416 -3.202 -3.914 494 1HG2 THR 59 1HG2 THR 59 20.101 -3.273 -1.639 495 2HG2 THR 59 2HG2 THR 59 18.720 -3.140 -0.550 496 3HG2 THR 59 3HG2 THR 59 19.683 -1.712 -0.931 497 H ALA 60 H ALA 60 16.380 -5.493 -1.448 498 HA ALA 60 HA ALA 60 18.795 -7.140 -2.088 499 1HB ALA 60 1HB ALA 60 17.221 -7.908 0.289 500 2HB ALA 60 2HB ALA 60 18.053 -6.359 0.428 501 3HB ALA 60 3HB ALA 60 18.969 -7.825 0.076 502 H HIS 61 H HIS 61 15.630 -6.758 -2.821 503 HA HIS 61 HA HIS 61 14.103 -8.966 -2.573 504 1HB HIS 61 2HB HIS 61 13.809 -6.998 -4.215 505 2HB HIS 61 1HB HIS 61 14.705 -7.992 -5.365 506 HD1 HIS 61 HD1 HIS 61 12.925 -10.298 -3.324 507 HD2 HIS 61 HD2 HIS 61 11.826 -7.823 -6.494 508 HE1 HIS 61 HE1 HIS 61 10.750 -11.221 -4.235 509 H GLY 62 H GLY 62 15.344 -10.813 -2.096 510 1HA GLY 62 2HA GLY 62 17.244 -11.908 -4.021 511 2HA GLY 62 1HA GLY 62 16.684 -12.709 -2.552 512 H LYS 63 H LYS 63 15.849 -12.030 -5.921 513 HA LYS 63 HA LYS 63 14.787 -14.590 -6.441 514 1HB LYS 63 2HB LYS 63 13.048 -13.361 -4.762 515 2HB LYS 63 1HB LYS 63 12.427 -12.792 -6.312 516 1HG LYS 63 2HG LYS 63 12.079 -15.014 -7.104 517 2HG LYS 63 1HG LYS 63 13.037 -15.708 -5.795 518 1HD LYS 63 2HD LYS 63 10.884 -16.079 -5.000 519 2HD LYS 63 1HD LYS 63 11.242 -14.516 -4.265 520 1HE LYS 63 2HE LYS 63 9.485 -13.619 -5.340 521 2HE LYS 63 1HE LYS 63 10.235 -14.022 -6.885 522 1HZ LYS 63 1HZ LYS 63 8.896 -16.157 -5.398 523 2HZ LYS 63 2HZ LYS 63 9.048 -15.936 -7.075 524 3HZ LYS 63 3HZ LYS 63 7.925 -15.016 -6.191 525 H GLY 64 H GLY 64 14.346 -11.122 -7.104 526 1HA GLY 64 2HA GLY 64 15.186 -11.398 -9.838 527 2HA GLY 64 1HA GLY 64 13.426 -11.294 -9.764 528 H GLU 65 H GLU 65 16.339 -9.504 -9.674 529 HA GLU 65 HA GLU 65 14.846 -6.994 -9.633 530 1HB GLU 65 2HB GLU 65 16.282 -6.095 -7.709 531 2HB GLU 65 1HB GLU 65 14.987 -7.207 -7.260 532 1HG GLU 65 2HG GLU 65 16.530 -9.051 -7.080 533 2HG GLU 65 1HG GLU 65 17.840 -8.090 -7.768 534 H ARG 66 H ARG 66 15.886 -5.645 -11.019 535 HA ARG 66 HA ARG 66 18.478 -6.399 -12.112 536 1HB ARG 66 2HB ARG 66 16.313 -4.874 -12.989 537 2HB ARG 66 1HB ARG 66 17.599 -3.689 -12.746 538 1HG ARG 66 2HG ARG 66 18.091 -4.372 -14.904 539 2HG ARG 66 1HG ARG 66 19.058 -5.531 -13.990 540 1HD ARG 66 2HD ARG 66 17.065 -7.092 -14.053 541 2HD ARG 66 1HD ARG 66 16.311 -5.971 -15.187 542 HE ARG 66 HE ARG 66 19.002 -7.001 -15.884 543 1HH1 ARG 66 2HH1 ARG 66 19.019 -7.454 -18.138 544 2HH1 ARG 66 1HH1 ARG 66 17.560 -8.032 -18.872 545 1HH2 ARG 66 2HH2 ARG 66 15.640 -8.084 -17.678 546 2HH2 ARG 66 1HH2 ARG 66 15.630 -7.546 -16.031 547 H VAL 67 H VAL 67 19.460 -3.655 -12.448 548 HA VAL 67 HA VAL 67 20.019 -2.719 -9.705 549 HB VAL 67 HB VAL 67 22.157 -3.830 -11.544 550 1HG1 VAL 67 1HG1 VAL 67 23.266 -2.988 -9.083 551 2HG1 VAL 67 2HG1 VAL 67 22.276 -1.646 -9.656 552 3HG1 VAL 67 3HG1 VAL 67 23.557 -2.294 -10.678 553 1HG2 VAL 67 1HG2 VAL 67 22.622 -4.895 -9.115 554 2HG2 VAL 67 2HG2 VAL 67 21.524 -5.642 -10.277 555 3HG2 VAL 67 3HG2 VAL 67 20.882 -4.641 -8.975 556 H ASN 68 H ASN 68 18.713 -1.010 -10.955 557 HA ASN 68 HA ASN 68 20.174 1.278 -11.473 558 1HB ASN 68 2HB ASN 68 20.468 -0.626 -13.633 559 2HB ASN 68 1HB ASN 68 19.672 0.836 -14.215 560 1HD2 ASN 68 1HD2 ASN 68 20.866 2.846 -12.721 561 2HD2 ASN 68 2HD2 ASN 68 22.539 2.879 -13.005 562 H GLU 69 H GLU 69 18.821 2.519 -13.564 563 HA GLU 69 HA GLU 69 16.329 3.194 -12.471 564 1HB GLU 69 2HB GLU 69 15.735 3.860 -14.889 565 2HB GLU 69 1HB GLU 69 17.173 4.607 -14.191 566 1HG GLU 69 2HG GLU 69 18.612 3.428 -15.538 567 2HG GLU 69 1HG GLU 69 17.560 2.014 -15.602 568 H ASP 70 H ASP 70 17.182 0.479 -14.548 569 HA ASP 70 HA ASP 70 14.444 -0.267 -15.139 570 1HB ASP 70 2HB ASP 70 16.860 -2.082 -15.089 571 2HB ASP 70 1HB ASP 70 15.351 -2.334 -15.966 572 H TYR 71 H TYR 71 16.869 -1.388 -12.771 573 HA TYR 71 HA TYR 71 15.795 -3.438 -11.396 574 1HB TYR 71 2HB TYR 71 17.615 -2.412 -10.323 575 2HB TYR 71 1HB TYR 71 16.857 -0.824 -10.348 576 HD1 TYR 71 HD1 TYR 71 16.326 -0.042 -8.277 577 HD2 TYR 71 HD2 TYR 71 15.849 -4.232 -9.073 578 HE1 TYR 71 HE1 TYR 71 15.406 -0.353 -5.998 579 HE2 TYR 71 HE2 TYR 71 14.931 -4.549 -6.787 580 HH TYR 71 HH TYR 71 14.661 -1.818 -4.510 581 H LEU 72 H LEU 72 14.632 -0.124 -10.952 582 HA LEU 72 HA LEU 72 12.616 -0.540 -9.148 583 1HB LEU 72 2HB LEU 72 12.352 1.180 -11.601 584 2HB LEU 72 1HB LEU 72 11.523 1.398 -10.060 585 HG LEU 72 HG LEU 72 14.434 1.796 -10.697 586 1HD1 LEU 72 1HD1 LEU 72 12.542 3.461 -9.045 587 2HD1 LEU 72 2HD1 LEU 72 12.575 3.572 -10.805 588 3HD1 LEU 72 3HD1 LEU 72 14.013 3.966 -9.873 589 1HD2 LEU 72 1HD2 LEU 72 14.093 0.330 -8.608 590 2HD2 LEU 72 2HD2 LEU 72 13.297 1.734 -7.902 591 3HD2 LEU 72 3HD2 LEU 72 14.983 1.828 -8.381 592 H ARG 73 H ARG 73 12.118 -0.624 -12.655 593 HA ARG 73 HA ARG 73 9.461 -1.707 -12.419 594 1HB ARG 73 2HB ARG 73 11.427 -1.308 -14.600 595 2HB ARG 73 1HB ARG 73 10.291 -2.632 -14.863 596 1HG ARG 73 2HG ARG 73 8.423 -1.217 -14.779 597 2HG ARG 73 1HG ARG 73 9.300 0.046 -13.915 598 1HD ARG 73 2HD ARG 73 9.888 -0.787 -16.769 599 2HD ARG 73 1HD ARG 73 8.898 0.604 -16.325 600 HE ARG 73 HE ARG 73 11.268 1.009 -14.946 601 1HH1 ARG 73 2HH1 ARG 73 11.646 3.121 -16.266 602 2HH1 ARG 73 1HH1 ARG 73 12.405 2.816 -17.793 603 1HH2 ARG 73 2HH2 ARG 73 12.437 0.717 -18.639 604 2HH2 ARG 73 1HH2 ARG 73 11.703 -0.581 -17.759 605 H GLN 74 H GLN 74 12.623 -3.310 -12.855 606 HA GLN 74 HA GLN 74 11.499 -5.942 -13.006 607 1HB GLN 74 2HB GLN 74 13.934 -5.120 -13.574 608 2HB GLN 74 1HB GLN 74 14.235 -5.384 -11.862 609 1HG GLN 74 2HG GLN 74 14.829 -7.421 -13.001 610 2HG GLN 74 1HG GLN 74 13.321 -7.721 -12.136 611 1HE2 GLN 74 1HE2 GLN 74 13.761 -9.425 -14.233 612 2HE2 GLN 74 2HE2 GLN 74 12.800 -9.018 -15.571 613 H ALA 75 H ALA 75 11.614 -3.756 -10.515 614 HA ALA 75 HA ALA 75 11.834 -5.743 -8.352 615 1HB ALA 75 1HB ALA 75 12.669 -3.931 -7.271 616 2HB ALA 75 2HB ALA 75 11.090 -3.155 -7.400 617 3HB ALA 75 3HB ALA 75 12.297 -2.916 -8.664 618 H PHE 76 H PHE 76 9.585 -3.161 -9.305 619 HA PHE 76 HA PHE 76 7.361 -4.596 -7.995 620 1HB PHE 76 2HB PHE 76 6.473 -2.521 -7.623 621 2HB PHE 76 1HB PHE 76 8.102 -1.970 -7.947 622 HD1 PHE 76 HD1 PHE 76 4.938 -1.063 -8.573 623 HD2 PHE 76 HD2 PHE 76 8.440 -2.156 -10.786 624 HE1 PHE 76 HE1 PHE 76 4.084 0.195 -10.504 625 HE2 PHE 76 HE2 PHE 76 7.593 -0.893 -12.730 626 HZ PHE 76 HZ PHE 76 5.414 0.275 -12.611 627 H ARG 77 H ARG 77 8.555 -5.438 -10.642 628 HA ARG 77 HA ARG 77 5.985 -5.556 -12.102 629 1HB ARG 77 2HB ARG 77 8.074 -3.759 -12.866 630 2HB ARG 77 1HB ARG 77 7.991 -5.026 -14.074 631 1HG ARG 77 2HG ARG 77 5.766 -3.197 -13.157 632 2HG ARG 77 1HG ARG 77 6.442 -3.348 -14.779 633 1HD ARG 77 2HD ARG 77 5.677 -5.864 -14.527 634 2HD ARG 77 1HD ARG 77 4.579 -5.191 -13.324 635 HE ARG 77 HE ARG 77 3.302 -4.394 -15.124 636 1HH1 ARG 77 2HH1 ARG 77 5.338 -6.091 -16.844 637 2HH1 ARG 77 1HH1 ARG 77 5.671 -4.938 -18.093 638 1HH2 ARG 77 1HH2 ARG 77 4.279 -2.272 -16.367 639 2HH2 ARG 77 2HH2 ARG 77 5.070 -2.775 -17.823 640 H GLU 78 H GLU 78 9.427 -6.464 -12.069 641 HA GLU 78 HA GLU 78 9.389 -8.593 -13.870 642 1HB GLU 78 2HB GLU 78 11.421 -9.193 -12.962 643 2HB GLU 78 1HB GLU 78 11.268 -7.599 -12.240 644 1HG GLU 78 2HG GLU 78 11.767 -8.871 -10.360 645 2HG GLU 78 1HG GLU 78 10.004 -8.931 -10.331 646 H LEU 79 H LEU 79 7.817 -8.368 -10.788 647 HA LEU 79 HA LEU 79 7.346 -11.290 -10.679 648 1HB LEU 79 2HB LEU 79 6.435 -9.079 -8.823 649 2HB LEU 79 1HB LEU 79 6.270 -10.807 -8.523 650 HG LEU 79 HG LEU 79 8.932 -10.654 -9.066 651 1HD1 LEU 79 1HD1 LEU 79 8.335 -8.021 -8.998 652 2HD1 LEU 79 2HD1 LEU 79 9.891 -8.659 -8.468 653 3HD1 LEU 79 3HD1 LEU 79 8.638 -8.294 -7.281 654 1HD2 LEU 79 1HD2 LEU 79 7.303 -11.247 -6.898 655 2HD2 LEU 79 2HD2 LEU 79 8.367 -9.989 -6.268 656 3HD2 LEU 79 3HD2 LEU 79 9.053 -11.463 -6.953 657 H ASP 80 H ASP 80 5.107 -8.544 -10.110 658 HA ASP 80 HA ASP 80 3.397 -8.909 -12.303 659 1HB ASP 80 2HB ASP 80 1.601 -10.301 -11.028 660 2HB ASP 80 1HB ASP 80 2.933 -11.146 -11.829 661 H LEU 81 H LEU 81 3.254 -8.621 -8.759 662 HA LEU 81 HA LEU 81 2.425 -6.847 -7.494 663 1HB LEU 81 2HB LEU 81 1.089 -5.701 -9.935 664 2HB LEU 81 1HB LEU 81 1.647 -4.884 -8.485 665 HG LEU 81 HG LEU 81 3.217 -5.759 -10.874 666 1HD1 LEU 81 1HD1 LEU 81 3.865 -3.576 -10.907 667 2HD1 LEU 81 2HD1 LEU 81 3.976 -3.473 -9.150 668 3HD1 LEU 81 3HD1 LEU 81 2.405 -3.356 -9.943 669 1HD2 LEU 81 1HD2 LEU 81 4.792 -6.772 -9.590 670 2HD2 LEU 81 2HD2 LEU 81 4.050 -6.218 -8.096 671 3HD2 LEU 81 3HD2 LEU 81 5.151 -5.167 -8.968 672 H ASP 82 H ASP 82 1.237 -9.117 -7.236 673 HA ASP 82 HA ASP 82 -1.524 -8.468 -6.840 674 1HB ASP 82 2HB ASP 82 -2.577 -10.015 -8.367 675 2HB ASP 82 1HB ASP 82 -1.520 -8.956 -9.300 676 H VAL 83 H VAL 83 1.002 -10.882 -6.876 677 HA VAL 83 HA VAL 83 -0.054 -11.971 -4.361 678 HB VAL 83 HB VAL 83 0.323 -13.803 -6.744 679 1HG1 VAL 83 1HG1 VAL 83 -1.185 -14.630 -4.333 680 2HG1 VAL 83 2HG1 VAL 83 0.549 -14.401 -4.095 681 3HG1 VAL 83 3HG1 VAL 83 -0.033 -15.542 -5.308 682 1HG2 VAL 83 1HG2 VAL 83 -2.183 -14.077 -6.528 683 2HG2 VAL 83 2HG2 VAL 83 -1.675 -12.493 -7.113 684 3HG2 VAL 83 3HG2 VAL 83 -2.177 -12.693 -5.434 685 H ASP 84 H ASP 84 2.375 -12.250 -6.934 686 HA ASP 84 HA ASP 84 4.307 -13.722 -5.440 687 1HB ASP 84 2HB ASP 84 4.543 -11.772 -7.730 688 2HB ASP 84 1HB ASP 84 5.953 -12.562 -7.028 689 H ILE 85 H ILE 85 3.656 -10.255 -5.654 690 HA ILE 85 HA ILE 85 5.914 -9.671 -3.836 691 HB ILE 85 HB ILE 85 4.397 -7.327 -4.086 692 1HG1 ILE 85 2HG1 ILE 85 3.121 -8.527 -5.910 693 2HG1 ILE 85 1HG1 ILE 85 3.948 -7.069 -6.447 694 1HG2 ILE 85 1HG2 ILE 85 6.980 -8.393 -4.869 695 2HG2 ILE 85 2HG2 ILE 85 6.551 -6.756 -4.377 696 3HG2 ILE 85 3HG2 ILE 85 6.379 -7.244 -6.063 697 1HD1 ILE 85 1HD1 ILE 85 5.841 -9.133 -6.715 698 2HD1 ILE 85 2HD1 ILE 85 4.980 -8.303 -8.011 699 3HD1 ILE 85 3HD1 ILE 85 4.328 -9.796 -7.335 700 H SER 86 H SER 86 2.831 -10.792 -3.464 701 HA SER 86 HA SER 86 1.904 -9.166 -1.262 702 1HB SER 86 2HB SER 86 0.557 -10.833 -2.725 703 2HB SER 86 1HB SER 86 1.189 -12.071 -1.644 704 HG SER 86 HG SER 86 -0.494 -9.876 -1.084 705 H THR 87 H THR 87 1.371 -11.563 0.501 706 HA THR 87 HA THR 87 4.038 -11.553 1.832 707 HB THR 87 HB THR 87 1.331 -12.389 2.927 708 HG1 THR 87 HG1 THR 87 1.633 -10.373 4.100 709 1HG2 THR 87 1HG2 THR 87 3.231 -11.633 4.917 710 2HG2 THR 87 2HG2 THR 87 4.007 -12.797 3.842 711 3HG2 THR 87 3HG2 THR 87 2.499 -13.217 4.656 712 H LEU 88 H LEU 88 2.757 -13.265 -0.460 713 HA LEU 88 HA LEU 88 3.421 -15.913 0.731 714 1HB LEU 88 2HB LEU 88 1.958 -16.060 -1.754 715 2HB LEU 88 1HB LEU 88 1.519 -16.702 -0.178 716 HG LEU 88 HG LEU 88 1.086 -13.835 -1.046 717 1HD1 LEU 88 1HD1 LEU 88 -0.329 -16.118 -1.832 718 2HD1 LEU 88 2HD1 LEU 88 -0.895 -14.450 -1.930 719 3HD1 LEU 88 3HD1 LEU 88 -1.287 -15.432 -0.519 720 1HD2 LEU 88 1HD2 LEU 88 1.141 -15.075 1.507 721 2HD2 LEU 88 2HD2 LEU 88 -0.555 -14.775 1.129 722 3HD2 LEU 88 3HD2 LEU 88 0.599 -13.442 1.119 723 H LEU 89 H LEU 89 5.411 -16.551 0.026 724 HA LEU 89 HA LEU 89 6.019 -16.284 -2.863 725 1HB LEU 89 2HB LEU 89 8.433 -15.616 -2.074 726 2HB LEU 89 1HB LEU 89 7.188 -14.378 -2.199 727 HG LEU 89 HG LEU 89 7.005 -15.581 0.396 728 1HD1 LEU 89 1HD1 LEU 89 9.641 -14.260 0.260 729 2HD1 LEU 89 2HD1 LEU 89 9.579 -15.854 -0.493 730 3HD1 LEU 89 3HD1 LEU 89 9.130 -15.661 1.202 731 1HD2 LEU 89 1HD2 LEU 89 8.045 -13.036 0.711 732 2HD2 LEU 89 2HD2 LEU 89 6.333 -13.415 0.524 733 3HD2 LEU 89 3HD2 LEU 89 7.290 -12.948 -0.881 734 H ARG 90 H ARG 90 7.812 -17.238 0.089 735 HA ARG 90 HA ARG 90 9.180 -19.410 -1.057 736 1HB ARG 90 2HB ARG 90 9.518 -20.222 1.209 737 2HB ARG 90 1HB ARG 90 9.610 -18.462 1.222 738 1HG ARG 90 2HG ARG 90 6.873 -19.175 1.571 739 2HG ARG 90 1HG ARG 90 7.825 -20.149 2.691 740 1HD ARG 90 2HD ARG 90 9.031 -17.973 3.315 741 2HD ARG 90 1HD ARG 90 7.736 -17.138 2.458 742 HE ARG 90 HE ARG 90 7.373 -18.776 4.923 743 1HH1 ARG 90 2HH1 ARG 90 5.228 -18.255 2.608 744 2HH1 ARG 90 1HH1 ARG 90 4.244 -17.090 3.428 745 1HH2 ARG 90 1HH2 ARG 90 6.545 -16.539 5.964 746 2HH2 ARG 90 2HH2 ARG 90 4.990 -16.118 5.328 747 H ASN 91 HN ASN 91 8.605 -21.732 0.249 748 HA ASN 91 HA ASN 91 6.270 -22.682 -1.208 749 1HB ASN 91 2HB ASN 91 6.858 -24.864 -0.355 750 2HB ASN 91 1HB ASN 91 8.359 -24.044 -0.786 751 1HD2 ASN 91 1HD2 ASN 91 9.935 -24.054 0.821 752 2HD2 ASN 91 2HD2 ASN 91 9.637 -24.280 2.476 Start of MODEL 2 1 1H GLY 1 1H GLY 1 -11.893 24.467 -2.212 2 2H GLY 1 2H GLY 1 -10.897 23.445 -3.135 3 3H GLY 1 3H GLY 1 -12.586 23.359 -3.295 4 1HA GLY 1 1HA GLY 1 -12.434 25.710 -4.134 5 2HA GLY 1 2HA GLY 1 -10.657 25.513 -4.217 6 H SER 2 H SER 2 -10.672 24.702 -6.511 7 HA SER 2 HA SER 2 -13.306 24.627 -7.898 8 1HB SER 2 2HB SER 2 -10.494 25.225 -8.774 9 2HB SER 2 1HB SER 2 -11.688 24.710 -9.961 10 HG SER 2 HG SER 2 -12.967 26.454 -9.375 11 H ARG 3 H ARG 3 -10.353 23.130 -9.099 12 HA ARG 3 HA ARG 3 -11.819 20.539 -9.186 13 1HB ARG 3 2HB ARG 3 -9.825 21.875 -10.898 14 2HB ARG 3 1HB ARG 3 -9.508 20.161 -10.628 15 1HG ARG 3 2HG ARG 3 -10.934 20.052 -12.459 16 2HG ARG 3 1HG ARG 3 -12.089 19.920 -11.132 17 1HD ARG 3 2HD ARG 3 -13.001 21.959 -11.560 18 2HD ARG 3 1HD ARG 3 -11.435 22.691 -11.906 19 HE ARG 3 HE ARG 3 -12.292 20.862 -14.000 20 1HH1 ARG 3 2HH1 ARG 3 -14.426 22.087 -14.841 21 2HH1 ARG 3 1HH1 ARG 3 -14.026 23.677 -15.404 22 1HH2 ARG 3 2HH2 ARG 3 -12.062 24.624 -14.814 23 2HH2 ARG 3 1HH2 ARG 3 -10.954 23.761 -13.799 24 H ILE 4 H ILE 4 -11.149 20.746 -6.688 25 HA ILE 4 HA ILE 4 -8.377 19.973 -6.145 26 HB ILE 4 HB ILE 4 -9.072 19.873 -3.813 27 1HG1 ILE 4 2HG1 ILE 4 -11.720 20.615 -3.704 28 2HG1 ILE 4 1HG1 ILE 4 -11.711 19.503 -5.074 29 1HG2 ILE 4 1HG2 ILE 4 -8.873 22.115 -5.130 30 2HG2 ILE 4 2HG2 ILE 4 -9.603 22.142 -3.525 31 3HG2 ILE 4 3HG2 ILE 4 -10.628 22.182 -4.961 32 1HD1 ILE 4 1HD1 ILE 4 -11.155 17.691 -3.777 33 2HD1 ILE 4 2HD1 ILE 4 -11.941 18.653 -2.525 34 3HD1 ILE 4 3HD1 ILE 4 -10.183 18.654 -2.665 35 H ALA 5 H ALA 5 -7.749 17.902 -5.282 36 HA ALA 5 HA ALA 5 -9.089 15.666 -6.536 37 1HB ALA 5 1HB ALA 5 -6.682 16.078 -4.845 38 2HB ALA 5 2HB ALA 5 -6.868 15.143 -6.329 39 3HB ALA 5 3HB ALA 5 -7.404 14.470 -4.790 40 H LYS 6 H LYS 6 -10.441 14.131 -5.605 41 HA LYS 6 HA LYS 6 -11.690 14.893 -3.048 42 1HB LYS 6 2HB LYS 6 -13.323 13.147 -3.573 43 2HB LYS 6 1HB LYS 6 -13.079 14.174 -4.985 44 1HG LYS 6 2HG LYS 6 -11.870 12.546 -6.132 45 2HG LYS 6 1HG LYS 6 -11.393 11.713 -4.652 46 1HD LYS 6 2HD LYS 6 -14.203 11.621 -4.678 47 2HD LYS 6 1HD LYS 6 -13.711 11.258 -6.332 48 1HE LYS 6 2HE LYS 6 -13.139 9.180 -5.691 49 2HE LYS 6 1HE LYS 6 -11.933 9.866 -4.602 50 1HZ LYS 6 1HZ LYS 6 -14.787 9.725 -3.849 51 2HZ LYS 6 2HZ LYS 6 -13.431 9.902 -2.841 52 3HZ LYS 6 3HZ LYS 6 -13.743 8.412 -3.595 53 H ARG 7 H ARG 7 -8.937 13.333 -3.687 54 HA ARG 7 HA ARG 7 -9.391 11.108 -1.761 55 1HB ARG 7 2HB ARG 7 -7.649 11.520 -4.056 56 2HB ARG 7 1HB ARG 7 -6.734 11.018 -2.634 57 1HG ARG 7 2HG ARG 7 -9.283 9.598 -3.372 58 2HG ARG 7 1HG ARG 7 -7.766 9.172 -4.165 59 1HD ARG 7 2HD ARG 7 -6.778 8.976 -1.800 60 2HD ARG 7 1HD ARG 7 -8.446 9.003 -1.228 61 HE ARG 7 HE ARG 7 -7.514 6.950 -3.192 62 1HH1 ARG 7 2HH1 ARG 7 -7.038 5.957 -0.526 63 2HH1 ARG 7 1HH1 ARG 7 -8.554 5.265 -0.051 64 1HH2 ARG 7 2HH2 ARG 7 -10.446 5.814 -1.168 65 2HH2 ARG 7 1HH2 ARG 7 -10.375 6.924 -2.495 66 H THR 8 H THR 8 -7.153 10.789 -0.418 67 HA THR 8 HA THR 8 -7.007 13.155 1.286 68 HB THR 8 HB THR 8 -5.604 10.471 1.353 69 HG1 THR 8 HG1 THR 8 -7.142 9.980 2.720 70 1HG2 THR 8 1HG2 THR 8 -4.027 11.832 2.412 71 2HG2 THR 8 2HG2 THR 8 -5.053 11.342 3.761 72 3HG2 THR 8 3HG2 THR 8 -5.254 12.937 3.035 73 H ALA 9 H ALA 9 -4.111 11.328 0.453 74 HA ALA 9 HA ALA 9 -2.812 13.895 -0.293 75 1HB ALA 9 1HB ALA 9 -1.978 11.633 1.195 76 2HB ALA 9 2HB ALA 9 -1.022 13.055 0.780 77 3HB ALA 9 3HB ALA 9 -1.011 11.647 -0.279 78 H ILE 10 H ILE 10 -1.234 13.766 -2.177 79 HA ILE 10 HA ILE 10 -2.481 12.147 -4.354 80 HB ILE 10 HB ILE 10 -0.682 14.538 -4.745 81 1HG1 ILE 10 2HG1 ILE 10 -3.181 15.527 -5.137 82 2HG1 ILE 10 1HG1 ILE 10 -3.500 14.399 -3.819 83 1HG2 ILE 10 1HG2 ILE 10 -2.823 13.173 -6.405 84 2HG2 ILE 10 2HG2 ILE 10 -1.088 13.177 -6.721 85 3HG2 ILE 10 3HG2 ILE 10 -2.014 14.671 -6.867 86 1HD1 ILE 10 1HD1 ILE 10 -2.156 16.967 -3.738 87 2HD1 ILE 10 2HD1 ILE 10 -1.113 15.692 -3.107 88 3HD1 ILE 10 3HD1 ILE 10 -2.707 15.957 -2.402 89 H ASN 11 H ASN 11 -1.130 10.278 -3.681 90 HA ASN 11 HA ASN 11 1.736 10.344 -3.708 91 1HB ASN 11 2HB ASN 11 0.186 8.471 -2.861 92 2HB ASN 11 1HB ASN 11 0.048 7.976 -4.547 93 1HD2 ASN 11 1HD2 ASN 11 2.916 9.215 -2.757 94 2HD2 ASN 11 2HD2 ASN 11 3.878 7.849 -3.056 95 H LYS 12 H LYS 12 2.889 8.866 -5.538 96 HA LYS 12 HA LYS 12 3.165 10.253 -7.884 97 1HB LYS 12 2HB LYS 12 3.611 7.955 -8.992 98 2HB LYS 12 1HB LYS 12 4.605 8.398 -7.605 99 1HG LYS 12 2HG LYS 12 2.474 7.184 -6.375 100 2HG LYS 12 1HG LYS 12 2.594 6.257 -7.869 101 1HD LYS 12 2HD LYS 12 4.139 5.088 -6.636 102 2HD LYS 12 1HD LYS 12 5.205 6.360 -7.235 103 1HE LYS 12 2HE LYS 12 4.224 7.607 -5.053 104 2HE LYS 12 1HE LYS 12 4.114 5.936 -4.501 105 1HZ LYS 12 1HZ LYS 12 6.329 5.730 -4.414 106 2HZ LYS 12 2HZ LYS 12 6.332 7.428 -4.363 107 3HZ LYS 12 3HZ LYS 12 6.587 6.620 -5.835 108 H THR 13 H THR 13 1.228 11.146 -8.687 109 HA THR 13 HA THR 13 -1.256 9.950 -9.029 110 HB THR 13 HB THR 13 -1.144 12.245 -9.528 111 HG1 THR 13 HG1 THR 13 -1.655 12.291 -11.849 112 1HG2 THR 13 1HG2 THR 13 0.485 12.412 -11.859 113 2HG2 THR 13 2HG2 THR 13 1.389 11.514 -10.639 114 3HG2 THR 13 3HG2 THR 13 0.779 13.128 -10.275 115 H LYS 14 H LYS 14 -2.311 9.149 -11.031 116 HA LYS 14 HA LYS 14 -1.134 6.833 -12.074 117 1HB LYS 14 2HB LYS 14 -3.290 8.649 -13.154 118 2HB LYS 14 1HB LYS 14 -2.808 7.181 -14.003 119 1HG LYS 14 2HG LYS 14 -3.798 5.820 -12.473 120 2HG LYS 14 1HG LYS 14 -3.290 6.821 -11.113 121 1HD LYS 14 2HD LYS 14 -5.100 8.456 -12.400 122 2HD LYS 14 1HD LYS 14 -5.812 6.858 -12.619 123 1HE LYS 14 2HE LYS 14 -6.487 6.836 -10.476 124 2HE LYS 14 1HE LYS 14 -4.824 7.065 -9.933 125 1HZ LYS 14 1HZ LYS 14 -5.481 9.060 -9.251 126 2HZ LYS 14 2HZ LYS 14 -6.963 8.953 -10.076 127 3HZ LYS 14 3HZ LYS 14 -5.576 9.512 -10.883 128 H LYS 15 H LYS 15 -1.138 10.128 -13.435 129 HA LYS 15 HA LYS 15 0.199 9.524 -15.868 130 1HB LYS 15 2HB LYS 15 -0.081 11.971 -14.160 131 2HB LYS 15 1HB LYS 15 1.111 11.986 -15.461 132 1HG LYS 15 2HG LYS 15 -1.396 10.845 -16.374 133 2HG LYS 15 1HG LYS 15 -1.647 12.461 -15.711 134 1HD LYS 15 2HD LYS 15 0.736 12.572 -17.247 135 2HD LYS 15 1HD LYS 15 -0.460 11.722 -18.226 136 1HE LYS 15 2HE LYS 15 -1.747 13.578 -18.485 137 2HE LYS 15 1HE LYS 15 -1.514 14.085 -16.811 138 1HZ LYS 15 1HZ LYS 15 0.904 14.524 -17.688 139 2HZ LYS 15 2HZ LYS 15 -0.324 15.681 -17.880 140 3HZ LYS 15 3HZ LYS 15 0.106 14.671 -19.177 141 H ALA 16 H ALA 16 1.559 10.595 -12.734 142 HA ALA 16 HA ALA 16 4.264 9.881 -13.687 143 1HB ALA 16 1HB ALA 16 3.264 11.132 -11.112 144 2HB ALA 16 2HB ALA 16 4.104 11.946 -12.432 145 3HB ALA 16 3HB ALA 16 4.962 10.774 -11.433 146 H ASP 17 H ASP 17 2.101 7.872 -13.145 147 HA ASP 17 HA ASP 17 2.858 6.435 -10.723 148 1HB ASP 17 2HB ASP 17 0.636 6.404 -12.193 149 2HB ASP 17 1HB ASP 17 1.476 5.083 -13.001 150 H VAL 18 H VAL 18 3.679 6.249 -14.159 151 HA VAL 18 HA VAL 18 5.393 3.889 -13.635 152 HB VAL 18 HB VAL 18 5.189 5.260 -16.297 153 1HG1 VAL 18 1HG1 VAL 18 5.656 3.097 -17.146 154 2HG1 VAL 18 2HG1 VAL 18 5.186 2.316 -15.637 155 3HG1 VAL 18 3HG1 VAL 18 6.686 3.240 -15.722 156 1HG2 VAL 18 1HG2 VAL 18 3.173 3.785 -16.727 157 2HG2 VAL 18 2HG2 VAL 18 2.876 5.129 -15.625 158 3HG2 VAL 18 3HG2 VAL 18 3.099 3.500 -14.988 159 H LYS 19 H LYS 19 5.586 7.331 -14.111 160 HA LYS 19 HA LYS 19 8.459 7.286 -14.714 161 1HB LYS 19 2HB LYS 19 8.320 9.635 -14.875 162 2HB LYS 19 1HB LYS 19 6.741 9.096 -15.440 163 1HG LYS 19 2HG LYS 19 5.914 9.396 -13.051 164 2HG LYS 19 1HG LYS 19 7.446 10.201 -12.712 165 1HD LYS 19 2HD LYS 19 5.374 11.045 -14.757 166 2HD LYS 19 1HD LYS 19 5.811 11.903 -13.278 167 1HE LYS 19 2HE LYS 19 8.139 12.143 -14.155 168 2HE LYS 19 1HE LYS 19 7.613 11.398 -15.664 169 1HZ LYS 19 1HZ LYS 19 5.874 13.200 -15.741 170 2HZ LYS 19 2HZ LYS 19 7.477 13.700 -16.000 171 3HZ LYS 19 3HZ LYS 19 6.732 13.972 -14.498 172 H ALA 20 H ALA 20 6.374 7.580 -11.925 173 HA ALA 20 HA ALA 20 8.478 8.485 -10.112 174 1HB ALA 20 1HB ALA 20 5.818 7.166 -9.478 175 2HB ALA 20 2HB ALA 20 6.044 8.901 -9.703 176 3HB ALA 20 3HB ALA 20 6.831 8.077 -8.357 177 H ILE 21 H ILE 21 7.360 5.434 -11.367 178 HA ILE 21 HA ILE 21 8.553 3.842 -9.233 179 HB ILE 21 HB ILE 21 7.516 3.118 -11.988 180 1HG1 ILE 21 2HG1 ILE 21 5.514 2.671 -10.999 181 2HG1 ILE 21 1HG1 ILE 21 6.271 1.970 -9.578 182 1HG2 ILE 21 1HG2 ILE 21 9.329 1.676 -10.374 183 2HG2 ILE 21 2HG2 ILE 21 8.448 1.088 -11.782 184 3HG2 ILE 21 3HG2 ILE 21 7.762 0.899 -10.168 185 1HD1 ILE 21 1HD1 ILE 21 5.029 3.968 -8.930 186 2HD1 ILE 21 2HD1 ILE 21 5.890 4.927 -10.133 187 3HD1 ILE 21 3HD1 ILE 21 6.756 4.274 -8.744 188 H ALA 22 H ALA 22 9.614 5.120 -12.344 189 HA ALA 22 HA ALA 22 12.088 3.495 -12.204 190 1HB ALA 22 1HB ALA 22 10.591 4.701 -14.305 191 2HB ALA 22 2HB ALA 22 12.044 3.710 -14.440 192 3HB ALA 22 3HB ALA 22 12.181 5.462 -14.287 193 H ASP 23 H ASP 23 10.991 6.773 -11.656 194 HA ASP 23 HA ASP 23 13.772 7.726 -11.307 195 1HB ASP 23 2HB ASP 23 11.969 9.098 -12.487 196 2HB ASP 23 1HB ASP 23 11.226 9.311 -10.901 197 H ALA 24 H ALA 24 11.136 6.558 -9.387 198 HA ALA 24 HA ALA 24 12.230 7.847 -6.957 199 1HB ALA 24 1HB ALA 24 10.304 7.013 -5.800 200 2HB ALA 24 2HB ALA 24 9.928 5.893 -7.106 201 3HB ALA 24 3HB ALA 24 9.735 7.627 -7.352 202 H TRP 25 H TRP 25 12.222 6.194 -5.003 203 HA TRP 25 HA TRP 25 13.310 4.447 -3.945 204 1HB TRP 25 2HB TRP 25 13.721 2.726 -6.283 205 2HB TRP 25 1HB TRP 25 13.061 2.341 -4.715 206 HD1 TRP 25 HD1 TRP 25 10.697 4.864 -5.756 207 HE1 TRP 25 HE1 TRP 25 8.755 3.895 -7.089 208 HE3 TRP 25 HE3 TRP 25 12.542 0.210 -6.811 209 HZ2 TRP 25 HZ2 TRP 25 8.054 1.471 -8.404 210 HZ3 TRP 25 HZ3 TRP 25 11.171 -1.394 -8.083 211 HH2 TRP 25 HH2 TRP 25 8.938 -0.760 -8.889 212 H GLN 26 H GLN 26 15.293 2.692 -5.430 213 HA GLN 26 HA GLN 26 17.474 4.684 -5.421 214 1HB GLN 26 2HB GLN 26 17.524 2.383 -4.244 215 2HB GLN 26 1HB GLN 26 17.770 1.714 -5.855 216 1HG GLN 26 2HG GLN 26 19.947 2.075 -4.862 217 2HG GLN 26 1HG GLN 26 19.722 3.273 -6.136 218 1HE2 GLN 26 1HE2 GLN 26 21.305 4.672 -4.958 219 2HE2 GLN 26 2HE2 GLN 26 20.799 5.548 -3.596 220 H ILE 27 H ILE 27 16.550 5.586 -7.590 221 HA ILE 27 HA ILE 27 17.423 3.855 -9.862 222 HB ILE 27 HB ILE 27 15.481 4.538 -10.794 223 1HG1 ILE 27 2HG1 ILE 27 17.206 6.196 -11.797 224 2HG1 ILE 27 1HG1 ILE 27 15.496 6.542 -12.026 225 1HG2 ILE 27 1HG2 ILE 27 13.917 5.815 -9.699 226 2HG2 ILE 27 2HG2 ILE 27 15.104 6.940 -9.052 227 3HG2 ILE 27 3HG2 ILE 27 14.945 5.333 -8.365 228 1HD1 ILE 27 1HD1 ILE 27 17.162 7.717 -9.783 229 2HD1 ILE 27 2HD1 ILE 27 15.515 8.158 -10.225 230 3HD1 ILE 27 3HD1 ILE 27 16.852 8.538 -11.310 231 H ASN 28 H ASN 28 18.280 6.601 -8.009 232 HA ASN 28 HA ASN 28 20.741 6.929 -9.542 233 1HB ASN 28 2HB ASN 28 18.971 8.326 -10.765 234 2HB ASN 28 1HB ASN 28 18.946 9.352 -9.331 235 1HD2 ASN 28 1HD2 ASN 28 21.387 9.914 -8.583 236 2HD2 ASN 28 2HD2 ASN 28 22.405 10.418 -9.841 237 H GLY 29 H GLY 29 18.580 8.320 -7.082 238 1HA GLY 29 2HA GLY 29 19.352 8.400 -4.738 239 2HA GLY 29 1HA GLY 29 20.984 8.684 -5.350 240 H GLU 30 H GLU 30 20.088 10.562 -7.409 241 HA GLU 30 HA GLU 30 19.626 12.911 -5.638 242 1HB GLU 30 2HB GLU 30 21.643 13.173 -6.902 243 2HB GLU 30 1HB GLU 30 20.862 12.620 -8.384 244 1HG GLU 30 2HG GLU 30 19.954 14.659 -8.814 245 2HG GLU 30 1HG GLU 30 19.558 14.944 -7.118 246 H LYS 31 H LYS 31 18.398 11.165 -8.415 247 HA LYS 31 HA LYS 31 16.314 13.197 -8.928 248 1HB LYS 31 2HB LYS 31 17.138 10.608 -10.241 249 2HB LYS 31 1HB LYS 31 15.611 11.388 -10.653 250 1HG LYS 31 2HG LYS 31 16.778 12.667 -12.100 251 2HG LYS 31 1HG LYS 31 17.484 13.465 -10.693 252 1HD LYS 31 2HD LYS 31 19.321 11.856 -10.656 253 2HD LYS 31 1HD LYS 31 18.595 10.961 -11.991 254 1HE LYS 31 2HE LYS 31 18.698 13.512 -13.012 255 2HE LYS 31 1HE LYS 31 20.167 13.451 -12.038 256 1HZ LYS 31 1HZ LYS 31 19.912 11.028 -13.417 257 2HZ LYS 31 2HZ LYS 31 21.112 12.218 -13.591 258 3HZ LYS 31 3HZ LYS 31 19.701 12.287 -14.536 259 H GLU 32 H GLU 32 16.632 9.967 -7.516 260 HA GLU 32 HA GLU 32 13.743 9.633 -7.232 261 1HB GLU 32 2HB GLU 32 14.326 7.637 -5.926 262 2HB GLU 32 1HB GLU 32 15.288 7.686 -7.401 263 1HG GLU 32 2HG GLU 32 16.972 7.268 -5.876 264 2HG GLU 32 1HG GLU 32 16.969 9.032 -5.826 265 H LEU 33 H LEU 33 16.317 11.049 -5.342 266 HA LEU 33 HA LEU 33 14.972 10.989 -2.808 267 1HB LEU 33 2HB LEU 33 16.616 12.508 -2.054 268 2HB LEU 33 1HB LEU 33 17.443 11.611 -3.326 269 HG LEU 33 HG LEU 33 16.541 13.521 -4.885 270 1HD1 LEU 33 1HD1 LEU 33 16.875 15.531 -2.905 271 2HD1 LEU 33 2HD1 LEU 33 15.684 14.389 -2.282 272 3HD1 LEU 33 3HD1 LEU 33 15.425 15.172 -3.841 273 1HD2 LEU 33 1HD2 LEU 33 18.952 12.977 -3.897 274 2HD2 LEU 33 2HD2 LEU 33 18.669 14.472 -3.004 275 3HD2 LEU 33 3HD2 LEU 33 18.650 14.481 -4.767 276 H GLU 34 H GLU 34 14.847 13.191 -5.565 277 HA GLU 34 HA GLU 34 13.336 15.258 -4.333 278 1HB GLU 34 2HB GLU 34 14.590 15.217 -6.602 279 2HB GLU 34 1HB GLU 34 13.097 14.526 -7.244 280 1HG GLU 34 2HG GLU 34 11.818 16.427 -6.534 281 2HG GLU 34 1HG GLU 34 13.181 17.050 -5.606 282 H LEU 35 H LEU 35 12.143 12.694 -6.589 283 HA LEU 35 HA LEU 35 9.450 13.267 -6.388 284 1HB LEU 35 2HB LEU 35 10.563 11.376 -7.743 285 2HB LEU 35 1HB LEU 35 10.436 10.410 -6.277 286 HG LEU 35 HG LEU 35 8.490 10.446 -8.148 287 1HD1 LEU 35 1HD1 LEU 35 6.947 9.672 -6.398 288 2HD1 LEU 35 2HD1 LEU 35 7.983 10.377 -5.159 289 3HD1 LEU 35 3HD1 LEU 35 8.562 9.020 -6.122 290 1HD2 LEU 35 1HD2 LEU 35 6.655 11.914 -7.389 291 2HD2 LEU 35 2HD2 LEU 35 8.057 12.866 -7.882 292 3HD2 LEU 35 3HD2 LEU 35 7.719 12.614 -6.168 293 H LEU 36 H LEU 36 11.139 10.931 -4.264 294 HA LEU 36 HA LEU 36 8.920 10.686 -2.491 295 1HB LEU 36 2HB LEU 36 11.131 9.238 -2.780 296 2HB LEU 36 1HB LEU 36 11.719 10.306 -1.502 297 HG LEU 36 HG LEU 36 10.626 8.223 -0.627 298 1HD1 LEU 36 1HD1 LEU 36 8.839 10.487 0.142 299 2HD1 LEU 36 2HD1 LEU 36 10.566 10.719 0.371 300 3HD1 LEU 36 3HD1 LEU 36 9.739 9.382 1.170 301 1HD2 LEU 36 1HD2 LEU 36 7.970 9.380 -1.321 302 2HD2 LEU 36 2HD2 LEU 36 8.447 7.691 -1.161 303 3HD2 LEU 36 3HD2 LEU 36 8.845 8.587 -2.628 304 H GLN 37 H GLN 37 11.435 13.052 -2.802 305 HA GLN 37 HA GLN 37 11.400 14.093 -0.151 306 1HB GLN 37 2HB GLN 37 13.088 14.800 -1.774 307 2HB GLN 37 1HB GLN 37 11.846 15.504 -2.802 308 1HG GLN 37 2HG GLN 37 11.268 17.085 -0.975 309 2HG GLN 37 1HG GLN 37 12.584 16.410 -0.008 310 1HE2 GLN 37 1HE2 GLN 37 14.090 16.040 -2.743 311 2HE2 GLN 37 2HE2 GLN 37 14.735 17.579 -3.035 312 H GLN 38 H GLN 38 9.007 13.995 -2.548 313 HA GLN 38 HA GLN 38 7.273 15.699 -0.879 314 1HB GLN 38 2HB GLN 38 8.386 16.607 -3.317 315 2HB GLN 38 1HB GLN 38 6.708 16.192 -3.671 316 1HG GLN 38 2HG GLN 38 6.186 17.491 -1.462 317 2HG GLN 38 1HG GLN 38 7.780 18.204 -1.709 318 1HE2 GLN 38 1HE2 GLN 38 8.128 19.202 -3.970 319 2HE2 GLN 38 2HE2 GLN 38 6.794 19.951 -4.707 320 H ILE 39 H ILE 39 7.644 12.734 -1.703 321 HA ILE 39 HA ILE 39 4.866 12.412 -2.692 322 HB ILE 39 HB ILE 39 7.333 11.008 -3.549 323 1HG1 ILE 39 2HG1 ILE 39 6.317 12.774 -4.939 324 2HG1 ILE 39 1HG1 ILE 39 6.146 11.212 -5.729 325 1HG2 ILE 39 1HG2 ILE 39 5.471 9.351 -4.560 326 2HG2 ILE 39 2HG2 ILE 39 4.662 9.772 -3.051 327 3HG2 ILE 39 3HG2 ILE 39 6.260 9.030 -3.015 328 1HD1 ILE 39 1HD1 ILE 39 4.081 13.021 -5.018 329 2HD1 ILE 39 2HD1 ILE 39 3.894 11.585 -4.012 330 3HD1 ILE 39 3HD1 ILE 39 3.922 11.434 -5.767 331 H ALA 40 H ALA 40 7.336 10.954 -0.561 332 HA ALA 40 HA ALA 40 5.442 8.939 0.414 333 1HB ALA 40 1HB ALA 40 7.908 8.572 0.565 334 2HB ALA 40 2HB ALA 40 7.104 8.416 2.121 335 3HB ALA 40 3HB ALA 40 7.998 9.884 1.737 336 H GLN 41 H GLN 41 5.768 12.197 0.824 337 HA GLN 41 HA GLN 41 4.641 12.154 3.563 338 1HB GLN 41 2HB GLN 41 5.503 14.576 2.004 339 2HB GLN 41 1HB GLN 41 5.362 14.410 3.756 340 1HG GLN 41 2HG GLN 41 7.320 13.152 3.930 341 2HG GLN 41 1HG GLN 41 7.235 12.591 2.272 342 1HE2 GLN 41 1HE2 GLN 41 9.311 13.308 1.632 343 2HE2 GLN 41 2HE2 GLN 41 9.727 14.945 1.540 344 H LYS 42 H LYS 42 3.829 12.459 0.310 345 HA LYS 42 HA LYS 42 1.110 13.364 1.137 346 1HB LYS 42 2HB LYS 42 0.994 14.584 -1.111 347 2HB LYS 42 1HB LYS 42 1.976 15.334 0.146 348 1HG LYS 42 2HG LYS 42 3.560 15.405 -1.493 349 2HG LYS 42 1HG LYS 42 3.831 13.727 -1.027 350 1HD LYS 42 2HD LYS 42 3.567 13.810 -3.431 351 2HD LYS 42 1HD LYS 42 2.139 13.039 -2.748 352 1HE LYS 42 2HE LYS 42 1.157 14.569 -4.201 353 2HE LYS 42 1HE LYS 42 1.203 15.510 -2.710 354 1HZ LYS 42 1HZ LYS 42 3.584 16.096 -3.662 355 2HZ LYS 42 2HZ LYS 42 2.197 16.981 -4.089 356 3HZ LYS 42 3HZ LYS 42 2.801 15.785 -5.136 357 HA PRO 43 HA PRO 43 1.306 9.755 -1.983 358 1HB PRO 43 2HB PRO 43 1.235 7.601 -0.281 359 2HB PRO 43 1HB PRO 43 2.733 8.268 -0.952 360 1HG PRO 43 2HG PRO 43 1.597 8.586 1.801 361 2HG PRO 43 1HG PRO 43 3.291 8.545 1.278 362 1HD PRO 43 2HD PRO 43 1.912 10.891 1.917 363 2HD PRO 43 1HD PRO 43 3.357 10.794 0.897 364 H GLY 44 H GLY 44 -0.106 8.404 0.941 365 1HA GLY 44 2HA GLY 44 -2.346 8.030 1.546 366 2HA GLY 44 1HA GLY 44 -2.770 9.428 0.554 367 H ALA 45 H ALA 45 -0.946 7.249 -1.239 368 HA ALA 45 HA ALA 45 -3.289 5.683 -2.128 369 1HB ALA 45 1HB ALA 45 -2.993 6.359 -4.466 370 2HB ALA 45 2HB ALA 45 -1.684 7.444 -3.996 371 3HB ALA 45 3HB ALA 45 -3.331 7.765 -3.456 372 H LEU 46 H LEU 46 0.080 5.838 -1.540 373 HA LEU 46 HA LEU 46 1.256 4.216 -3.452 374 1HB LEU 46 2HB LEU 46 1.930 5.058 -0.879 375 2HB LEU 46 1HB LEU 46 1.929 3.298 -0.759 376 HG LEU 46 HG LEU 46 3.344 4.796 -2.974 377 1HD1 LEU 46 1HD1 LEU 46 4.829 5.412 -1.378 378 2HD1 LEU 46 2HD1 LEU 46 5.282 3.708 -1.322 379 3HD1 LEU 46 3HD1 LEU 46 4.101 4.347 -0.177 380 1HD2 LEU 46 1HD2 LEU 46 2.619 2.292 -3.108 381 2HD2 LEU 46 2HD2 LEU 46 3.916 2.023 -1.946 382 3HD2 LEU 46 3HD2 LEU 46 4.279 2.709 -3.529 383 H ARG 47 H ARG 47 0.222 2.733 -0.406 384 HA ARG 47 HA ARG 47 -0.100 0.270 -0.341 385 1HB ARG 47 2HB ARG 47 -2.164 2.169 -0.006 386 2HB ARG 47 1HB ARG 47 -2.875 0.804 -0.870 387 1HG ARG 47 2HG ARG 47 -2.319 -0.725 0.833 388 2HG ARG 47 1HG ARG 47 -1.107 0.352 1.527 389 1HD ARG 47 2HD ARG 47 -2.652 1.554 2.704 390 2HD ARG 47 1HD ARG 47 -3.871 1.418 1.438 391 HE ARG 47 HE ARG 47 -3.857 -0.183 3.734 392 1HH1 ARG 47 2HH1 ARG 47 -6.081 -0.464 1.878 393 2HH1 ARG 47 1HH1 ARG 47 -5.861 -2.046 1.208 394 1HH2 ARG 47 2HH2 ARG 47 -3.858 -3.082 1.390 395 2HH2 ARG 47 1HH2 ARG 47 -2.547 -2.294 2.201 396 H ILE 48 H ILE 48 -2.478 1.391 -2.757 397 HA ILE 48 HA ILE 48 -2.839 -0.962 -4.143 398 HB ILE 48 HB ILE 48 -2.653 1.866 -5.192 399 1HG1 ILE 48 2HG1 ILE 48 -5.228 0.793 -5.473 400 2HG1 ILE 48 1HG1 ILE 48 -4.666 0.197 -3.909 401 1HG2 ILE 48 1HG2 ILE 48 -2.132 0.407 -7.066 402 2HG2 ILE 48 2HG2 ILE 48 -3.794 0.972 -7.237 403 3HG2 ILE 48 3HG2 ILE 48 -3.473 -0.662 -6.652 404 1HD1 ILE 48 1HD1 ILE 48 -4.812 3.077 -4.833 405 2HD1 ILE 48 2HD1 ILE 48 -3.966 2.572 -3.369 406 3HD1 ILE 48 3HD1 ILE 48 -5.708 2.328 -3.511 407 H LEU 49 H LEU 49 -0.454 1.474 -5.298 408 HA LEU 49 HA LEU 49 0.919 -0.580 -6.861 409 1HB LEU 49 2HB LEU 49 2.354 1.965 -6.320 410 2HB LEU 49 1HB LEU 49 2.058 1.149 -7.853 411 HG LEU 49 HG LEU 49 -0.485 1.897 -7.148 412 1HD1 LEU 49 1HD1 LEU 49 -0.476 4.088 -6.231 413 2HD1 LEU 49 2HD1 LEU 49 1.265 4.262 -6.457 414 3HD1 LEU 49 3HD1 LEU 49 0.641 3.175 -5.216 415 1HD2 LEU 49 1HD2 LEU 49 -0.275 3.526 -8.911 416 2HD2 LEU 49 2HD2 LEU 49 0.785 2.179 -9.325 417 3HD2 LEU 49 3HD2 LEU 49 1.465 3.661 -8.654 418 H ASN 50 H ASN 50 1.062 0.512 -3.622 419 HA ASN 50 HA ASN 50 3.838 0.045 -3.075 420 1HB ASN 50 2HB ASN 50 2.250 1.216 -1.504 421 2HB ASN 50 1HB ASN 50 1.516 -0.350 -1.169 422 1HD2 ASN 50 1HD2 ASN 50 5.012 0.253 -1.686 423 2HD2 ASN 50 2HD2 ASN 50 5.486 -0.235 -0.134 424 H HIS 51 H HIS 51 1.074 -2.032 -3.475 425 HA HIS 51 HA HIS 51 1.819 -4.366 -2.164 426 1HB HIS 51 2HB HIS 51 -0.242 -4.184 -3.502 427 2HB HIS 51 1HB HIS 51 0.711 -4.101 -4.981 428 HD1 HIS 51 HD1 HIS 51 0.103 -6.486 -2.074 429 HD2 HIS 51 HD2 HIS 51 1.294 -6.574 -6.066 430 HE1 HIS 51 HE1 HIS 51 0.296 -8.930 -2.709 431 H SER 52 H SER 52 3.277 -2.817 -4.944 432 HA SER 52 HA SER 52 5.398 -4.905 -4.899 433 1HB SER 52 2HB SER 52 4.861 -3.467 -7.429 434 2HB SER 52 1HB SER 52 5.283 -5.156 -7.166 435 HG SER 52 HG SER 52 2.771 -3.897 -6.734 436 H LEU 53 H LEU 53 4.598 -1.697 -4.380 437 HA LEU 53 HA LEU 53 7.106 -0.586 -5.410 438 1HB LEU 53 2HB LEU 53 4.582 0.523 -4.743 439 2HB LEU 53 1HB LEU 53 5.742 1.214 -3.608 440 HG LEU 53 HG LEU 53 7.102 2.084 -5.357 441 1HD1 LEU 53 1HD1 LEU 53 7.314 0.346 -6.901 442 2HD1 LEU 53 2HD1 LEU 53 6.343 1.514 -7.792 443 3HD1 LEU 53 3HD1 LEU 53 5.576 0.126 -7.032 444 1HD2 LEU 53 1HD2 LEU 53 5.589 3.721 -5.688 445 2HD2 LEU 53 2HD2 LEU 53 4.258 2.603 -5.390 446 3HD2 LEU 53 3HD2 LEU 53 4.922 2.770 -7.015 447 H ARG 54 H ARG 54 6.033 -2.164 -2.624 448 HA ARG 54 HA ARG 54 7.591 -0.934 -0.592 449 1HB ARG 54 2HB ARG 54 6.136 -2.685 0.114 450 2HB ARG 54 1HB ARG 54 6.761 -3.801 -1.100 451 1HG ARG 54 2HG ARG 54 8.689 -4.259 0.110 452 2HG ARG 54 1HG ARG 54 8.659 -2.705 0.944 453 1HD ARG 54 2HD ARG 54 6.295 -4.316 1.532 454 2HD ARG 54 1HD ARG 54 7.790 -5.132 1.992 455 HE ARG 54 HE ARG 54 6.949 -2.451 3.009 456 1HH1 ARG 54 2HH1 ARG 54 6.867 -4.825 4.818 457 2HH1 ARG 54 1HH1 ARG 54 8.388 -4.717 5.640 458 1HH2 ARG 54 1HH2 ARG 54 9.775 -2.521 3.341 459 2HH2 ARG 54 2HH2 ARG 54 10.033 -3.413 4.804 460 H LEU 55 H LEU 55 8.428 -2.686 -3.436 461 HA LEU 55 HA LEU 55 11.015 -3.676 -2.785 462 1HB LEU 55 2HB LEU 55 9.374 -3.477 -5.092 463 2HB LEU 55 1HB LEU 55 10.914 -2.721 -5.496 464 HG LEU 55 HG LEU 55 10.879 -5.198 -5.922 465 1HD1 LEU 55 1HD1 LEU 55 12.999 -4.065 -5.569 466 2HD1 LEU 55 2HD1 LEU 55 13.043 -5.607 -4.716 467 3HD1 LEU 55 3HD1 LEU 55 12.776 -4.113 -3.821 468 1HD2 LEU 55 1HD2 LEU 55 9.979 -6.521 -4.330 469 2HD2 LEU 55 2HD2 LEU 55 9.844 -5.152 -3.227 470 3HD2 LEU 55 3HD2 LEU 55 11.328 -6.105 -3.273 471 H ALA 56 H ALA 56 9.927 -0.545 -4.009 472 HA ALA 56 HA ALA 56 12.062 0.849 -4.799 473 1HB ALA 56 1HB ALA 56 11.221 2.840 -3.668 474 2HB ALA 56 2HB ALA 56 10.320 1.843 -2.526 475 3HB ALA 56 3HB ALA 56 9.859 1.870 -4.228 476 H ALA 57 H ALA 57 11.621 -0.225 -1.447 477 HA ALA 57 HA ALA 57 14.329 0.839 -0.797 478 1HB ALA 57 1HB ALA 57 11.902 0.766 0.656 479 2HB ALA 57 2HB ALA 57 13.479 1.299 1.237 480 3HB ALA 57 3HB ALA 57 12.985 -0.382 1.447 481 H MET 58 H MET 58 12.427 -2.113 -1.055 482 HA MET 58 HA MET 58 14.277 -3.898 0.203 483 1HB MET 58 2HB MET 58 11.812 -4.100 -1.170 484 2HB MET 58 1HB MET 58 12.940 -5.154 -2.022 485 1HG MET 58 2HG MET 58 13.375 -6.446 -0.100 486 2HG MET 58 1HG MET 58 12.761 -5.200 0.986 487 1HE MET 58 1HE MET 58 11.101 -8.839 0.076 488 2HE MET 58 2HE MET 58 12.584 -8.140 -0.569 489 3HE MET 58 3HE MET 58 11.154 -8.250 -1.592 490 H THR 59 H THR 59 16.413 -3.561 -0.485 491 HA THR 59 HA THR 59 16.947 -3.717 -3.404 492 HB THR 59 HB THR 59 18.061 -1.924 -2.069 493 HG1 THR 59 HG1 THR 59 20.308 -2.877 -2.654 494 1HG2 THR 59 1HG2 THR 59 18.275 -3.705 -0.090 495 2HG2 THR 59 2HG2 THR 59 19.404 -2.360 -0.248 496 3HG2 THR 59 3HG2 THR 59 19.854 -3.963 -0.832 497 H ALA 60 H ALA 60 16.302 -5.922 -1.227 498 HA ALA 60 HA ALA 60 18.579 -7.720 -1.952 499 1HB ALA 60 1HB ALA 60 16.819 -7.499 0.457 500 2HB ALA 60 2HB ALA 60 18.549 -7.827 0.361 501 3HB ALA 60 3HB ALA 60 17.388 -9.103 -0.004 502 H HIS 61 H HIS 61 15.620 -6.949 -3.030 503 HA HIS 61 HA HIS 61 14.353 -9.557 -3.210 504 1HB HIS 61 2HB HIS 61 13.281 -7.185 -3.407 505 2HB HIS 61 1HB HIS 61 13.808 -7.266 -5.088 506 HD1 HIS 61 HD1 HIS 61 12.409 -10.085 -2.947 507 HD2 HIS 61 HD2 HIS 61 11.449 -7.953 -6.398 508 HE1 HIS 61 HE1 HIS 61 10.365 -11.203 -3.934 509 H GLY 62 H GLY 62 16.247 -10.759 -4.056 510 1HA GLY 62 2HA GLY 62 17.157 -10.114 -6.775 511 2HA GLY 62 1HA GLY 62 17.703 -11.476 -5.796 512 H LYS 63 H LYS 63 14.645 -11.941 -5.326 513 HA LYS 63 HA LYS 63 14.361 -14.012 -7.302 514 1HB LYS 63 2HB LYS 63 13.255 -13.954 -5.021 515 2HB LYS 63 1HB LYS 63 12.143 -12.747 -5.669 516 1HG LYS 63 2HG LYS 63 11.034 -14.269 -6.971 517 2HG LYS 63 1HG LYS 63 12.492 -15.209 -7.293 518 1HD LYS 63 2HD LYS 63 12.359 -16.348 -5.230 519 2HD LYS 63 1HD LYS 63 11.248 -15.159 -4.547 520 1HE LYS 63 2HE LYS 63 9.614 -15.881 -6.402 521 2HE LYS 63 1HE LYS 63 10.675 -17.271 -6.627 522 1HZ LYS 63 1HZ LYS 63 8.696 -16.930 -4.702 523 2HZ LYS 63 2HZ LYS 63 10.185 -16.913 -3.882 524 3HZ LYS 63 3HZ LYS 63 9.770 -18.232 -4.870 525 H GLY 64 H GLY 64 13.873 -10.648 -7.442 526 1HA GLY 64 2HA GLY 64 12.983 -10.752 -10.180 527 2HA GLY 64 1HA GLY 64 11.644 -10.321 -9.114 528 H GLU 65 H GLU 65 14.736 -9.269 -10.393 529 HA GLU 65 HA GLU 65 14.014 -6.486 -9.996 530 1HB GLU 65 2HB GLU 65 15.811 -5.871 -8.471 531 2HB GLU 65 1HB GLU 65 14.816 -7.114 -7.709 532 1HG GLU 65 2HG GLU 65 16.431 -8.779 -8.009 533 2HG GLU 65 1HG GLU 65 17.223 -7.910 -9.325 534 H ARG 66 H ARG 66 15.395 -5.099 -11.208 535 HA ARG 66 HA ARG 66 17.254 -6.569 -13.017 536 1HB ARG 66 2HB ARG 66 15.360 -5.401 -14.104 537 2HB ARG 66 1HB ARG 66 15.911 -3.877 -13.410 538 1HG ARG 66 2HG ARG 66 17.241 -3.619 -15.212 539 2HG ARG 66 1HG ARG 66 18.178 -5.004 -14.646 540 1HD ARG 66 2HD ARG 66 16.604 -6.521 -15.841 541 2HD ARG 66 1HD ARG 66 15.754 -5.108 -16.466 542 HE ARG 66 HE ARG 66 18.072 -4.510 -17.487 543 1HH1 ARG 66 2HH1 ARG 66 16.900 -6.072 -19.480 544 2HH1 ARG 66 1HH1 ARG 66 17.843 -7.522 -19.575 545 1HH2 ARG 66 2HH2 ARG 66 19.209 -8.096 -17.864 546 2HH2 ARG 66 1HH2 ARG 66 19.310 -7.084 -16.461 547 H VAL 67 H VAL 67 17.507 -3.109 -12.933 548 HA VAL 67 HA VAL 67 19.386 -2.763 -10.839 549 HB VAL 67 HB VAL 67 20.837 -4.323 -11.941 550 1HG1 VAL 67 1HG1 VAL 67 21.395 -3.219 -14.456 551 2HG1 VAL 67 2HG1 VAL 67 19.639 -3.152 -14.316 552 3HG1 VAL 67 3HG1 VAL 67 20.479 -4.692 -14.136 553 1HG2 VAL 67 1HG2 VAL 67 21.771 -2.051 -11.177 554 2HG2 VAL 67 2HG2 VAL 67 21.802 -1.617 -12.886 555 3HG2 VAL 67 3HG2 VAL 67 22.765 -2.974 -12.304 556 H ASN 68 H ASN 68 19.614 -0.591 -10.591 557 HA ASN 68 HA ASN 68 19.803 1.686 -11.160 558 1HB ASN 68 2HB ASN 68 20.850 0.467 -13.356 559 2HB ASN 68 1HB ASN 68 19.454 1.279 -14.068 560 1HD2 ASN 68 1HD2 ASN 68 19.852 3.409 -14.675 561 2HD2 ASN 68 2HD2 ASN 68 21.038 4.414 -13.993 562 H GLU 69 H GLU 69 18.415 2.831 -13.513 563 HA GLU 69 HA GLU 69 15.913 3.429 -12.405 564 1HB GLU 69 2HB GLU 69 17.024 4.590 -14.358 565 2HB GLU 69 1HB GLU 69 16.473 3.262 -15.378 566 1HG GLU 69 2HG GLU 69 14.163 3.758 -14.910 567 2HG GLU 69 1HG GLU 69 14.611 4.922 -13.663 568 H ASP 70 H ASP 70 16.653 0.889 -14.823 569 HA ASP 70 HA ASP 70 13.974 -0.043 -15.083 570 1HB ASP 70 2HB ASP 70 16.449 -1.768 -15.248 571 2HB ASP 70 1HB ASP 70 14.896 -2.039 -16.038 572 H TYR 71 H TYR 71 16.603 -1.190 -12.935 573 HA TYR 71 HA TYR 71 15.652 -3.313 -11.587 574 1HB TYR 71 2HB TYR 71 17.527 -2.304 -10.578 575 2HB TYR 71 1HB TYR 71 16.722 -0.747 -10.431 576 HD1 TYR 71 HD1 TYR 71 16.429 -0.178 -8.229 577 HD2 TYR 71 HD2 TYR 71 15.763 -4.245 -9.429 578 HE1 TYR 71 HE1 TYR 71 15.672 -0.718 -5.931 579 HE2 TYR 71 HE2 TYR 71 15.010 -4.794 -7.126 580 HH TYR 71 HH TYR 71 15.387 -2.577 -4.484 581 H LEU 72 H LEU 72 14.433 -0.050 -11.008 582 HA LEU 72 HA LEU 72 12.557 -0.680 -9.053 583 1HB LEU 72 2HB LEU 72 12.081 1.345 -11.222 584 2HB LEU 72 1HB LEU 72 11.503 1.381 -9.555 585 HG LEU 72 HG LEU 72 14.338 1.717 -10.532 586 1HD1 LEU 72 1HD1 LEU 72 13.057 3.741 -10.543 587 2HD1 LEU 72 2HD1 LEU 72 14.067 3.782 -9.099 588 3HD1 LEU 72 3HD1 LEU 72 12.359 3.377 -8.967 589 1HD2 LEU 72 1HD2 LEU 72 14.064 0.176 -8.488 590 2HD2 LEU 72 2HD2 LEU 72 13.461 1.602 -7.655 591 3HD2 LEU 72 3HD2 LEU 72 15.098 1.585 -8.290 592 H ARG 73 H ARG 73 11.904 -0.343 -12.525 593 HA ARG 73 HA ARG 73 9.229 -1.338 -12.346 594 1HB ARG 73 2HB ARG 73 10.129 -0.214 -14.370 595 2HB ARG 73 1HB ARG 73 11.180 -1.600 -14.666 596 1HG ARG 73 2HG ARG 73 9.174 -3.058 -14.835 597 2HG ARG 73 1HG ARG 73 8.147 -1.640 -14.615 598 1HD ARG 73 2HD ARG 73 8.275 -1.985 -16.976 599 2HD ARG 73 1HD ARG 73 9.347 -0.627 -16.630 600 HE ARG 73 HE ARG 73 11.037 -2.797 -16.494 601 1HH1 ARG 73 2HH1 ARG 73 10.162 -4.605 -18.250 602 2HH1 ARG 73 1HH1 ARG 73 10.345 -3.966 -19.849 603 1HH2 ARG 73 2HH2 ARG 73 10.628 -1.744 -20.151 604 2HH2 ARG 73 1HH2 ARG 73 10.665 -0.682 -18.784 605 H GLN 74 H GLN 74 12.220 -3.087 -13.219 606 HA GLN 74 HA GLN 74 11.087 -5.657 -13.400 607 1HB GLN 74 2HB GLN 74 13.559 -4.811 -13.842 608 2HB GLN 74 1HB GLN 74 13.797 -5.233 -12.154 609 1HG GLN 74 2HG GLN 74 14.394 -7.194 -13.358 610 2HG GLN 74 1HG GLN 74 12.785 -7.514 -12.711 611 1HE2 GLN 74 1HE2 GLN 74 14.511 -7.954 -15.476 612 2HE2 GLN 74 2HE2 GLN 74 13.271 -7.835 -16.628 613 H ALA 75 H ALA 75 11.588 -3.628 -10.734 614 HA ALA 75 HA ALA 75 11.653 -5.716 -8.713 615 1HB ALA 75 1HB ALA 75 12.011 -2.832 -8.901 616 2HB ALA 75 2HB ALA 75 12.603 -3.939 -7.665 617 3HB ALA 75 3HB ALA 75 10.983 -3.253 -7.532 618 H PHE 76 H PHE 76 9.399 -3.065 -9.423 619 HA PHE 76 HA PHE 76 7.208 -4.582 -8.164 620 1HB PHE 76 2HB PHE 76 6.358 -2.539 -7.595 621 2HB PHE 76 1HB PHE 76 7.987 -1.984 -7.918 622 HD1 PHE 76 HD1 PHE 76 4.869 -0.923 -8.327 623 HD2 PHE 76 HD2 PHE 76 8.201 -1.971 -10.812 624 HE1 PHE 76 HE1 PHE 76 3.986 0.547 -10.097 625 HE2 PHE 76 HE2 PHE 76 7.321 -0.504 -12.594 626 HZ PHE 76 HZ PHE 76 5.216 0.756 -12.258 627 H ARG 77 H ARG 77 8.292 -5.255 -10.883 628 HA ARG 77 HA ARG 77 5.684 -5.255 -12.255 629 1HB ARG 77 2HB ARG 77 7.811 -3.427 -12.987 630 2HB ARG 77 1HB ARG 77 7.443 -4.509 -14.315 631 1HG ARG 77 2HG ARG 77 4.932 -3.871 -13.381 632 2HG ARG 77 1HG ARG 77 5.813 -2.362 -13.145 633 1HD ARG 77 2HD ARG 77 4.701 -2.667 -15.429 634 2HD ARG 77 1HD ARG 77 6.410 -2.232 -15.447 635 HE ARG 77 HE ARG 77 6.911 -4.389 -16.304 636 1HH1 ARG 77 2HH1 ARG 77 3.829 -4.390 -14.791 637 2HH1 ARG 77 1HH1 ARG 77 3.254 -5.779 -15.650 638 1HH2 ARG 77 1HH2 ARG 77 6.104 -6.084 -17.601 639 2HH2 ARG 77 2HH2 ARG 77 4.541 -6.739 -17.240 640 H GLU 78 H GLU 78 9.077 -6.277 -12.203 641 HA GLU 78 HA GLU 78 8.935 -8.174 -14.312 642 1HB GLU 78 2HB GLU 78 11.022 -8.855 -13.606 643 2HB GLU 78 1HB GLU 78 10.934 -7.332 -12.746 644 1HG GLU 78 2HG GLU 78 11.530 -8.722 -10.996 645 2HG GLU 78 1HG GLU 78 9.775 -8.860 -10.889 646 H LEU 79 H LEU 79 7.360 -8.159 -11.276 647 HA LEU 79 HA LEU 79 6.966 -11.109 -11.374 648 1HB LEU 79 2HB LEU 79 6.256 -9.132 -9.189 649 2HB LEU 79 1HB LEU 79 6.101 -10.887 -9.089 650 HG LEU 79 HG LEU 79 8.703 -10.634 -9.887 651 1HD1 LEU 79 1HD1 LEU 79 9.748 -8.839 -8.680 652 2HD1 LEU 79 2HD1 LEU 79 8.236 -8.417 -7.878 653 3HD1 LEU 79 3HD1 LEU 79 8.430 -8.122 -9.606 654 1HD2 LEU 79 1HD2 LEU 79 8.799 -10.534 -7.085 655 2HD2 LEU 79 2HD2 LEU 79 8.697 -11.988 -8.080 656 3HD2 LEU 79 3HD2 LEU 79 7.227 -11.240 -7.456 657 H ASP 80 H ASP 80 4.819 -8.397 -10.378 658 HA ASP 80 HA ASP 80 2.931 -8.645 -12.457 659 1HB ASP 80 2HB ASP 80 1.211 -10.029 -11.077 660 2HB ASP 80 1HB ASP 80 2.460 -10.890 -11.982 661 H LEU 81 H LEU 81 3.028 -8.496 -8.897 662 HA LEU 81 HA LEU 81 2.377 -6.718 -7.518 663 1HB LEU 81 2HB LEU 81 0.870 -5.494 -9.823 664 2HB LEU 81 1HB LEU 81 1.479 -4.727 -8.370 665 HG LEU 81 HG LEU 81 2.927 -5.415 -10.881 666 1HD1 LEU 81 1HD1 LEU 81 2.155 -3.104 -9.795 667 2HD1 LEU 81 2HD1 LEU 81 3.643 -3.239 -10.733 668 3HD1 LEU 81 3HD1 LEU 81 3.705 -3.265 -8.971 669 1HD2 LEU 81 1HD2 LEU 81 4.609 -6.492 -9.802 670 2HD2 LEU 81 2HD2 LEU 81 3.942 -6.117 -8.222 671 3HD2 LEU 81 3HD2 LEU 81 4.966 -4.952 -9.034 672 H ASP 82 H ASP 82 1.158 -9.025 -7.302 673 HA ASP 82 HA ASP 82 -1.563 -8.294 -6.658 674 1HB ASP 82 2HB ASP 82 -2.623 -10.102 -8.046 675 2HB ASP 82 1HB ASP 82 -1.978 -8.758 -8.987 676 H VAL 83 H VAL 83 0.885 -10.785 -6.890 677 HA VAL 83 HA VAL 83 0.063 -11.794 -4.257 678 HB VAL 83 HB VAL 83 -0.003 -13.573 -6.710 679 1HG1 VAL 83 1HG1 VAL 83 -0.703 -15.313 -5.014 680 2HG1 VAL 83 2HG1 VAL 83 -0.225 -14.181 -3.749 681 3HG1 VAL 83 3HG1 VAL 83 0.979 -14.803 -4.878 682 1HG2 VAL 83 1HG2 VAL 83 -2.037 -12.248 -6.449 683 2HG2 VAL 83 2HG2 VAL 83 -2.134 -12.679 -4.742 684 3HG2 VAL 83 3HG2 VAL 83 -2.373 -13.914 -5.977 685 H ASP 84 H ASP 84 2.248 -12.019 -7.030 686 HA ASP 84 HA ASP 84 4.251 -13.629 -5.760 687 1HB ASP 84 2HB ASP 84 4.394 -11.591 -7.990 688 2HB ASP 84 1HB ASP 84 5.784 -12.543 -7.471 689 H ILE 85 H ILE 85 3.611 -10.173 -5.779 690 HA ILE 85 HA ILE 85 6.030 -9.669 -4.143 691 HB ILE 85 HB ILE 85 4.558 -7.282 -4.277 692 1HG1 ILE 85 2HG1 ILE 85 3.153 -8.446 -6.040 693 2HG1 ILE 85 1HG1 ILE 85 3.971 -6.995 -6.600 694 1HG2 ILE 85 1HG2 ILE 85 6.705 -6.760 -4.698 695 2HG2 ILE 85 2HG2 ILE 85 6.423 -7.243 -6.371 696 3HG2 ILE 85 3HG2 ILE 85 7.062 -8.409 -5.212 697 1HD1 ILE 85 1HD1 ILE 85 5.795 -9.127 -6.981 698 2HD1 ILE 85 2HD1 ILE 85 4.950 -8.202 -8.222 699 3HD1 ILE 85 3HD1 ILE 85 4.235 -9.684 -7.586 700 H SER 86 H SER 86 3.096 -10.876 -3.530 701 HA SER 86 HA SER 86 2.327 -9.231 -1.234 702 1HB SER 86 2HB SER 86 0.808 -10.725 -2.753 703 2HB SER 86 1HB SER 86 1.356 -12.040 -1.717 704 HG SER 86 HG SER 86 -0.058 -11.350 -0.338 705 H THR 87 H THR 87 1.695 -11.360 0.596 706 HA THR 87 HA THR 87 4.447 -11.960 1.575 707 HB THR 87 HB THR 87 1.755 -11.940 2.983 708 HG1 THR 87 HG1 THR 87 3.984 -10.248 2.849 709 1HG2 THR 87 1HG2 THR 87 4.475 -12.899 3.823 710 2HG2 THR 87 2HG2 THR 87 2.896 -13.621 4.131 711 3HG2 THR 87 3HG2 THR 87 3.397 -12.182 5.020 712 H LEU 88 H LEU 88 2.608 -13.350 -0.490 713 HA LEU 88 HA LEU 88 2.695 -16.056 0.756 714 1HB LEU 88 2HB LEU 88 1.020 -15.817 -1.618 715 2HB LEU 88 1HB LEU 88 0.616 -16.433 -0.024 716 HG LEU 88 HG LEU 88 0.770 -13.486 -0.663 717 1HD1 LEU 88 1HD1 LEU 88 -1.096 -15.198 -1.706 718 2HD1 LEU 88 2HD1 LEU 88 -1.402 -13.498 -1.348 719 3HD1 LEU 88 3HD1 LEU 88 -1.861 -14.740 -0.184 720 1HD2 LEU 88 1HD2 LEU 88 0.384 -13.197 1.545 721 2HD2 LEU 88 2HD2 LEU 88 0.689 -14.921 1.755 722 3HD2 LEU 88 3HD2 LEU 88 -0.959 -14.341 1.513 723 H LEU 89 H LEU 89 5.050 -15.712 -0.105 724 HA LEU 89 HA LEU 89 5.134 -16.540 -2.977 725 1HB LEU 89 2HB LEU 89 7.594 -15.701 -2.738 726 2HB LEU 89 1HB LEU 89 6.305 -14.507 -2.897 727 HG LEU 89 HG LEU 89 7.156 -15.456 -0.171 728 1HD1 LEU 89 1HD1 LEU 89 8.726 -13.525 -0.096 729 2HD1 LEU 89 2HD1 LEU 89 8.440 -13.253 -1.815 730 3HD1 LEU 89 3HD1 LEU 89 9.221 -14.740 -1.276 731 1HD2 LEU 89 1HD2 LEU 89 6.452 -12.644 -0.671 732 2HD2 LEU 89 2HD2 LEU 89 5.834 -13.755 0.551 733 3HD2 LEU 89 3HD2 LEU 89 5.163 -13.776 -1.080 734 H ARG 90 H ARG 90 8.076 -16.776 -1.198 735 HA ARG 90 HA ARG 90 8.537 -19.469 -1.684 736 1HB ARG 90 2HB ARG 90 10.273 -18.025 -0.768 737 2HB ARG 90 1HB ARG 90 9.374 -17.853 0.740 738 1HG ARG 90 2HG ARG 90 10.676 -19.588 1.435 739 2HG ARG 90 1HG ARG 90 9.517 -20.570 0.539 740 1HD ARG 90 2HD ARG 90 11.034 -21.092 -1.058 741 2HD ARG 90 1HD ARG 90 11.604 -19.428 -1.173 742 HE ARG 90 HE ARG 90 12.658 -21.488 0.688 743 1HH1 ARG 90 2HH1 ARG 90 13.391 -19.701 2.449 744 2HH1 ARG 90 1HH1 ARG 90 14.604 -18.666 1.774 745 1HH2 ARG 90 2HH2 ARG 90 14.898 -18.578 -0.465 746 2HH2 ARG 90 1HH2 ARG 90 13.908 -19.545 -1.507 747 H ASN 91 HN ASN 91 7.666 -18.395 1.595 748 HA ASN 91 HA ASN 91 6.737 -20.951 2.433 749 1HB ASN 91 2HB ASN 91 5.609 -19.686 4.277 750 2HB ASN 91 1HB ASN 91 7.298 -19.224 4.060 751 1HD2 ASN 91 1HD2 ASN 91 3.983 -18.217 3.072 752 2HD2 ASN 91 2HD2 ASN 91 4.358 -16.566 2.958 Start of MODEL 3 1 1H GLY 1 1H GLY 1 -20.474 6.416 -11.468 2 2H GLY 1 2H GLY 1 -21.578 6.085 -12.715 3 3H GLY 1 3H GLY 1 -20.034 6.688 -13.085 4 1HA GLY 1 1HA GLY 1 -20.254 4.128 -11.740 5 2HA GLY 1 2HA GLY 1 -20.482 4.178 -13.515 6 H SER 2 H SER 2 -18.633 5.851 -10.828 7 HA SER 2 HA SER 2 -16.148 4.415 -11.573 8 1HB SER 2 2HB SER 2 -15.757 6.737 -11.380 9 2HB SER 2 1HB SER 2 -16.755 6.875 -9.937 10 HG SER 2 HG SER 2 -14.270 6.741 -9.847 11 H ARG 3 H ARG 3 -16.314 2.388 -10.595 12 HA ARG 3 HA ARG 3 -16.955 2.310 -7.688 13 1HB ARG 3 2HB ARG 3 -16.988 0.293 -9.909 14 2HB ARG 3 1HB ARG 3 -16.777 -0.269 -8.250 15 1HG ARG 3 2HG ARG 3 -18.881 1.702 -8.346 16 2HG ARG 3 1HG ARG 3 -19.204 0.430 -9.525 17 1HD ARG 3 2HD ARG 3 -18.224 -0.707 -7.046 18 2HD ARG 3 1HD ARG 3 -19.638 0.303 -6.749 19 HE ARG 3 HE ARG 3 -20.702 -1.095 -8.663 20 1HH1 ARG 3 2HH1 ARG 3 -19.756 -3.239 -9.595 21 2HH1 ARG 3 1HH1 ARG 3 -19.532 -4.444 -8.371 22 1HH2 ARG 3 2HH2 ARG 3 -19.530 -3.850 -6.190 23 2HH2 ARG 3 1HH2 ARG 3 -19.752 -2.192 -5.743 24 H ILE 4 H ILE 4 -14.533 3.467 -8.095 25 HA ILE 4 HA ILE 4 -12.565 1.268 -7.597 26 HB ILE 4 HB ILE 4 -10.846 3.004 -8.243 27 1HG1 ILE 4 2HG1 ILE 4 -13.328 4.514 -9.127 28 2HG1 ILE 4 1HG1 ILE 4 -12.270 4.983 -7.795 29 1HG2 ILE 4 1HG2 ILE 4 -11.070 2.540 -10.529 30 2HG2 ILE 4 2HG2 ILE 4 -12.828 2.675 -10.483 31 3HG2 ILE 4 3HG2 ILE 4 -12.034 1.259 -9.793 32 1HD1 ILE 4 1HD1 ILE 4 -11.856 5.239 -10.711 33 2HD1 ILE 4 2HD1 ILE 4 -10.452 4.673 -9.805 34 3HD1 ILE 4 3HD1 ILE 4 -11.206 6.212 -9.391 35 H ALA 5 H ALA 5 -10.615 2.331 -6.230 36 HA ALA 5 HA ALA 5 -11.897 3.268 -3.733 37 1HB ALA 5 1HB ALA 5 -9.447 2.990 -2.899 38 2HB ALA 5 2HB ALA 5 -9.180 2.172 -4.438 39 3HB ALA 5 3HB ALA 5 -10.363 1.536 -3.296 40 H LYS 6 H LYS 6 -12.189 5.453 -3.671 41 HA LYS 6 HA LYS 6 -10.567 7.337 -5.123 42 1HB LYS 6 2HB LYS 6 -12.978 7.423 -3.724 43 2HB LYS 6 1HB LYS 6 -11.902 8.448 -2.775 44 1HG LYS 6 2HG LYS 6 -11.450 9.871 -4.623 45 2HG LYS 6 1HG LYS 6 -12.110 8.712 -5.778 46 1HD LYS 6 2HD LYS 6 -14.076 9.802 -5.619 47 2HD LYS 6 1HD LYS 6 -14.198 9.199 -3.966 48 1HE LYS 6 2HE LYS 6 -12.438 11.550 -4.310 49 2HE LYS 6 1HE LYS 6 -14.150 11.848 -4.612 50 1HZ LYS 6 1HZ LYS 6 -12.802 11.082 -2.140 51 2HZ LYS 6 2HZ LYS 6 -14.349 10.431 -2.409 52 3HZ LYS 6 3HZ LYS 6 -14.126 12.115 -2.377 53 H ARG 7 H ARG 7 -8.458 7.704 -4.624 54 HA ARG 7 HA ARG 7 -7.324 7.108 -2.035 55 1HB ARG 7 2HB ARG 7 -5.309 8.319 -2.963 56 2HB ARG 7 1HB ARG 7 -5.898 7.009 -3.987 57 1HG ARG 7 2HG ARG 7 -7.368 9.234 -4.814 58 2HG ARG 7 1HG ARG 7 -5.739 9.862 -4.556 59 1HD ARG 7 2HD ARG 7 -4.785 8.363 -6.108 60 2HD ARG 7 1HD ARG 7 -6.187 7.292 -6.071 61 HE ARG 7 HE ARG 7 -5.955 9.787 -7.625 62 1HH1 ARG 7 2HH1 ARG 7 -8.527 10.380 -6.968 63 2HH1 ARG 7 1HH1 ARG 7 -9.555 9.264 -7.801 64 1HH2 ARG 7 2HH2 ARG 7 -8.699 7.343 -8.632 65 2HH2 ARG 7 1HH2 ARG 7 -7.016 6.989 -8.436 66 H THR 8 H THR 8 -5.715 9.354 -1.479 67 HA THR 8 HA THR 8 -7.719 11.503 -0.942 68 HB THR 8 HB THR 8 -5.676 10.496 1.057 69 HG1 THR 8 HG1 THR 8 -8.483 10.112 0.897 70 1HG2 THR 8 1HG2 THR 8 -7.636 12.732 0.952 71 2HG2 THR 8 2HG2 THR 8 -6.075 12.641 1.768 72 3HG2 THR 8 3HG2 THR 8 -7.492 11.872 2.484 73 H ALA 9 H ALA 9 -4.226 10.885 -0.372 74 HA ALA 9 HA ALA 9 -3.612 13.664 -1.041 75 1HB ALA 9 1HB ALA 9 -2.364 11.716 0.476 76 2HB ALA 9 2HB ALA 9 -1.644 13.253 -0.004 77 3HB ALA 9 3HB ALA 9 -1.351 11.804 -0.962 78 H ILE 10 H ILE 10 -1.337 13.570 -2.554 79 HA ILE 10 HA ILE 10 -2.433 12.874 -5.188 80 HB ILE 10 HB ILE 10 0.314 13.990 -4.672 81 1HG1 ILE 10 2HG1 ILE 10 -1.342 15.232 -3.268 82 2HG1 ILE 10 1HG1 ILE 10 -0.669 16.221 -4.552 83 1HG2 ILE 10 1HG2 ILE 10 -1.585 13.740 -6.918 84 2HG2 ILE 10 2HG2 ILE 10 0.172 13.895 -6.941 85 3HG2 ILE 10 3HG2 ILE 10 -0.837 15.330 -6.768 86 1HD1 ILE 10 1HD1 ILE 10 -3.209 14.688 -5.021 87 2HD1 ILE 10 2HD1 ILE 10 -2.635 16.150 -5.824 88 3HD1 ILE 10 3HD1 ILE 10 -3.256 16.234 -4.175 89 H ASN 11 H ASN 11 0.802 12.296 -3.732 90 HA ASN 11 HA ASN 11 2.234 10.438 -3.941 91 1HB ASN 11 2HB ASN 11 0.021 9.296 -3.158 92 2HB ASN 11 1HB ASN 11 -0.132 8.804 -4.842 93 1HD2 ASN 11 1HD2 ASN 11 2.802 9.084 -2.768 94 2HD2 ASN 11 2HD2 ASN 11 3.281 7.469 -2.974 95 H LYS 12 H LYS 12 2.869 8.708 -5.735 96 HA LYS 12 HA LYS 12 3.329 10.056 -8.168 97 1HB LYS 12 2HB LYS 12 3.704 7.724 -9.121 98 2HB LYS 12 1HB LYS 12 4.632 8.100 -7.671 99 1HG LYS 12 2HG LYS 12 2.285 7.089 -6.626 100 2HG LYS 12 1HG LYS 12 2.521 6.100 -8.068 101 1HD LYS 12 2HD LYS 12 3.779 4.918 -6.501 102 2HD LYS 12 1HD LYS 12 5.008 5.964 -7.212 103 1HE LYS 12 2HE LYS 12 4.530 7.628 -5.370 104 2HE LYS 12 1HE LYS 12 3.518 6.399 -4.613 105 1HZ LYS 12 1HZ LYS 12 6.303 5.806 -5.385 106 2HZ LYS 12 2HZ LYS 12 5.325 5.021 -4.239 107 3HZ LYS 12 3HZ LYS 12 5.956 6.563 -3.906 108 H THR 13 H THR 13 1.328 11.023 -8.851 109 HA THR 13 HA THR 13 -1.189 9.900 -9.090 110 HB THR 13 HB THR 13 -1.246 11.339 -11.326 111 HG1 THR 13 HG1 THR 13 0.977 11.553 -11.507 112 1HG2 THR 13 1HG2 THR 13 -1.875 11.780 -8.707 113 2HG2 THR 13 2HG2 THR 13 -2.128 12.960 -9.994 114 3HG2 THR 13 3HG2 THR 13 -0.684 13.050 -8.984 115 H LYS 14 H LYS 14 -2.340 8.918 -10.893 116 HA LYS 14 HA LYS 14 -1.229 6.573 -11.917 117 1HB LYS 14 2HB LYS 14 -3.407 8.351 -13.041 118 2HB LYS 14 1HB LYS 14 -3.013 6.776 -13.730 119 1HG LYS 14 2HG LYS 14 -3.628 7.118 -10.793 120 2HG LYS 14 1HG LYS 14 -4.898 6.832 -11.982 121 1HD LYS 14 2HD LYS 14 -2.715 4.986 -12.403 122 2HD LYS 14 1HD LYS 14 -3.274 4.893 -10.733 123 1HE LYS 14 2HE LYS 14 -5.623 5.067 -12.239 124 2HE LYS 14 1HE LYS 14 -4.588 3.977 -13.161 125 1HZ LYS 14 1HZ LYS 14 -4.481 2.479 -11.454 126 2HZ LYS 14 2HZ LYS 14 -6.060 3.071 -11.241 127 3HZ LYS 14 3HZ LYS 14 -4.796 3.634 -10.254 128 H LYS 15 H LYS 15 -1.267 9.806 -13.405 129 HA LYS 15 HA LYS 15 -0.019 9.042 -15.866 130 1HB LYS 15 2HB LYS 15 0.540 11.422 -16.089 131 2HB LYS 15 1HB LYS 15 -1.116 11.239 -15.506 132 1HG LYS 15 2HG LYS 15 -0.157 11.458 -13.144 133 2HG LYS 15 1HG LYS 15 1.341 11.989 -13.911 134 1HD LYS 15 2HD LYS 15 0.406 14.060 -13.795 135 2HD LYS 15 1HD LYS 15 -0.505 13.538 -15.214 136 1HE LYS 15 2HE LYS 15 -2.419 13.025 -13.956 137 2HE LYS 15 1HE LYS 15 -1.512 12.912 -12.446 138 1HZ LYS 15 1HZ LYS 15 -2.696 14.953 -12.432 139 2HZ LYS 15 2HZ LYS 15 -2.147 15.367 -13.986 140 3HZ LYS 15 3HZ LYS 15 -1.063 15.332 -12.679 141 H ALA 16 H ALA 16 1.294 10.180 -12.765 142 HA ALA 16 HA ALA 16 4.045 9.655 -13.724 143 1HB ALA 16 1HB ALA 16 4.323 11.479 -12.386 144 2HB ALA 16 2HB ALA 16 4.273 10.313 -11.065 145 3HB ALA 16 3HB ALA 16 2.813 11.189 -11.523 146 H ASP 17 H ASP 17 1.972 7.540 -13.275 147 HA ASP 17 HA ASP 17 2.739 6.086 -10.876 148 1HB ASP 17 2HB ASP 17 0.546 5.687 -11.795 149 2HB ASP 17 1HB ASP 17 1.222 5.281 -13.372 150 H VAL 18 H VAL 18 3.698 6.045 -14.274 151 HA VAL 18 HA VAL 18 5.592 3.825 -13.697 152 HB VAL 18 HB VAL 18 5.137 5.112 -16.387 153 1HG1 VAL 18 1HG1 VAL 18 7.026 3.438 -15.864 154 2HG1 VAL 18 2HG1 VAL 18 5.989 3.069 -17.242 155 3HG1 VAL 18 3HG1 VAL 18 5.747 2.235 -15.707 156 1HG2 VAL 18 1HG2 VAL 18 2.977 4.442 -16.261 157 2HG2 VAL 18 2HG2 VAL 18 3.266 3.542 -14.771 158 3HG2 VAL 18 3HG2 VAL 18 3.604 2.795 -16.333 159 H LYS 19 H LYS 19 5.474 7.208 -13.832 160 HA LYS 19 HA LYS 19 8.303 7.489 -14.668 161 1HB LYS 19 2HB LYS 19 7.929 9.821 -14.736 162 2HB LYS 19 1HB LYS 19 6.395 9.142 -15.278 163 1HG LYS 19 2HG LYS 19 5.627 10.641 -13.691 164 2HG LYS 19 1HG LYS 19 5.841 9.214 -12.676 165 1HD LYS 19 2HD LYS 19 7.435 10.242 -11.460 166 2HD LYS 19 1HD LYS 19 8.333 10.674 -12.916 167 1HE LYS 19 2HE LYS 19 7.678 12.812 -12.692 168 2HE LYS 19 1HE LYS 19 5.992 12.311 -12.806 169 1HZ LYS 19 1HZ LYS 19 7.453 11.977 -10.274 170 2HZ LYS 19 2HZ LYS 19 5.785 12.163 -10.535 171 3HZ LYS 19 3HZ LYS 19 6.826 13.498 -10.687 172 H ALA 20 H ALA 20 6.285 7.611 -11.798 173 HA ALA 20 HA ALA 20 8.442 8.537 -10.043 174 1HB ALA 20 1HB ALA 20 6.094 7.096 -8.916 175 2HB ALA 20 2HB ALA 20 5.747 8.583 -9.799 176 3HB ALA 20 3HB ALA 20 6.831 8.615 -8.408 177 H ILE 21 H ILE 21 7.413 5.535 -11.395 178 HA ILE 21 HA ILE 21 8.505 3.865 -9.274 179 HB ILE 21 HB ILE 21 7.527 3.332 -12.084 180 1HG1 ILE 21 2HG1 ILE 21 5.600 2.553 -11.079 181 2HG1 ILE 21 1HG1 ILE 21 6.452 1.991 -9.647 182 1HG2 ILE 21 1HG2 ILE 21 8.030 1.000 -10.353 183 2HG2 ILE 21 2HG2 ILE 21 9.493 1.794 -10.921 184 3HG2 ILE 21 3HG2 ILE 21 8.311 1.198 -12.080 185 1HD1 ILE 21 1HD1 ILE 21 5.897 4.901 -10.292 186 2HD1 ILE 21 2HD1 ILE 21 6.669 4.291 -8.830 187 3HD1 ILE 21 3HD1 ILE 21 4.973 3.926 -9.151 188 H ALA 22 H ALA 22 9.632 4.867 -12.523 189 HA ALA 22 HA ALA 22 12.170 3.455 -12.133 190 1HB ALA 22 1HB ALA 22 10.851 4.066 -14.364 191 2HB ALA 22 2HB ALA 22 12.611 3.951 -14.346 192 3HB ALA 22 3HB ALA 22 11.828 5.530 -14.258 193 H ASP 23 H ASP 23 10.955 6.685 -11.607 194 HA ASP 23 HA ASP 23 13.696 7.746 -11.258 195 1HB ASP 23 2HB ASP 23 11.747 9.004 -12.421 196 2HB ASP 23 1HB ASP 23 11.150 9.294 -10.787 197 H ALA 24 H ALA 24 11.069 6.546 -9.319 198 HA ALA 24 HA ALA 24 12.189 7.844 -6.907 199 1HB ALA 24 1HB ALA 24 9.872 5.907 -7.042 200 2HB ALA 24 2HB ALA 24 9.696 7.644 -7.273 201 3HB ALA 24 3HB ALA 24 10.270 7.014 -5.730 202 H TRP 25 H TRP 25 12.122 6.163 -4.943 203 HA TRP 25 HA TRP 25 13.201 4.415 -3.880 204 1HB TRP 25 2HB TRP 25 13.673 2.724 -6.235 205 2HB TRP 25 1HB TRP 25 12.987 2.310 -4.683 206 HD1 TRP 25 HD1 TRP 25 10.641 4.841 -5.745 207 HE1 TRP 25 HE1 TRP 25 8.733 3.878 -7.124 208 HE3 TRP 25 HE3 TRP 25 12.513 0.205 -6.787 209 HZ2 TRP 25 HZ2 TRP 25 8.059 1.468 -8.475 210 HZ3 TRP 25 HZ3 TRP 25 11.180 -1.394 -8.105 211 HH2 TRP 25 HH2 TRP 25 8.969 -0.753 -8.963 212 H GLN 26 H GLN 26 15.235 2.707 -5.379 213 HA GLN 26 HA GLN 26 17.368 4.757 -5.304 214 1HB GLN 26 2HB GLN 26 17.413 2.435 -4.115 215 2HB GLN 26 1HB GLN 26 17.802 1.809 -5.715 216 1HG GLN 26 2HG GLN 26 19.952 2.308 -5.208 217 2HG GLN 26 1HG GLN 26 19.489 3.983 -5.513 218 1HE2 GLN 26 1HE2 GLN 26 19.341 5.410 -3.709 219 2HE2 GLN 26 2HE2 GLN 26 19.693 4.933 -2.118 220 H ILE 27 H ILE 27 16.471 5.599 -7.509 221 HA ILE 27 HA ILE 27 17.406 3.845 -9.735 222 HB ILE 27 HB ILE 27 15.480 4.525 -10.701 223 1HG1 ILE 27 2HG1 ILE 27 17.263 6.131 -11.712 224 2HG1 ILE 27 1HG1 ILE 27 15.561 6.477 -12.005 225 1HG2 ILE 27 1HG2 ILE 27 13.924 5.872 -9.681 226 2HG2 ILE 27 2HG2 ILE 27 15.120 6.982 -9.025 227 3HG2 ILE 27 3HG2 ILE 27 14.907 5.392 -8.313 228 1HD1 ILE 27 1HD1 ILE 27 15.551 8.123 -10.196 229 2HD1 ILE 27 2HD1 ILE 27 16.838 8.508 -11.338 230 3HD1 ILE 27 3HD1 ILE 27 17.224 7.736 -9.802 231 H ASN 28 H ASN 28 18.231 6.636 -7.923 232 HA ASN 28 HA ASN 28 20.707 6.918 -9.476 233 1HB ASN 28 2HB ASN 28 18.941 8.407 -10.593 234 2HB ASN 28 1HB ASN 28 18.970 9.366 -9.112 235 1HD2 ASN 28 1HD2 ASN 28 21.097 10.342 -8.493 236 2HD2 ASN 28 2HD2 ASN 28 22.244 10.675 -9.696 237 H GLY 29 H GLY 29 18.640 8.299 -6.922 238 1HA GLY 29 2HA GLY 29 19.527 8.173 -4.591 239 2HA GLY 29 1HA GLY 29 21.109 8.566 -5.264 240 H GLU 30 H GLU 30 19.823 10.515 -7.151 241 HA GLU 30 HA GLU 30 19.300 12.681 -5.161 242 1HB GLU 30 2HB GLU 30 21.415 13.159 -6.167 243 2HB GLU 30 1HB GLU 30 20.824 12.733 -7.774 244 1HG GLU 30 2HG GLU 30 19.830 14.759 -8.085 245 2HG GLU 30 1HG GLU 30 19.290 14.860 -6.409 246 H LYS 31 H LYS 31 18.434 11.218 -8.232 247 HA LYS 31 HA LYS 31 16.341 13.224 -8.745 248 1HB LYS 31 2HB LYS 31 17.432 10.835 -10.189 249 2HB LYS 31 1HB LYS 31 15.800 11.378 -10.583 250 1HG LYS 31 2HG LYS 31 16.839 12.825 -11.992 251 2HG LYS 31 1HG LYS 31 17.181 13.753 -10.531 252 1HD LYS 31 2HD LYS 31 19.252 12.136 -10.340 253 2HD LYS 31 1HD LYS 31 18.987 11.913 -12.069 254 1HE LYS 31 2HE LYS 31 19.786 14.387 -10.577 255 2HE LYS 31 1HE LYS 31 20.421 13.740 -12.091 256 1HZ LYS 31 1HZ LYS 31 17.959 14.219 -12.849 257 2HZ LYS 31 2HZ LYS 31 19.160 15.420 -12.901 258 3HZ LYS 31 3HZ LYS 31 18.050 15.379 -11.615 259 H GLU 32 H GLU 32 16.678 10.179 -7.130 260 HA GLU 32 HA GLU 32 13.760 9.677 -7.218 261 1HB GLU 32 2HB GLU 32 14.285 7.632 -5.967 262 2HB GLU 32 1HB GLU 32 15.341 7.758 -7.371 263 1HG GLU 32 2HG GLU 32 16.893 7.257 -5.716 264 2HG GLU 32 1HG GLU 32 16.928 9.020 -5.668 265 H LEU 33 H LEU 33 16.238 10.882 -5.032 266 HA LEU 33 HA LEU 33 14.611 10.822 -2.658 267 1HB LEU 33 2HB LEU 33 16.332 12.023 -1.631 268 2HB LEU 33 1HB LEU 33 17.204 11.259 -2.959 269 HG LEU 33 HG LEU 33 16.488 13.456 -4.260 270 1HD1 LEU 33 1HD1 LEU 33 15.224 14.703 -2.788 271 2HD1 LEU 33 2HD1 LEU 33 16.823 15.310 -2.356 272 3HD1 LEU 33 3HD1 LEU 33 16.055 14.065 -1.370 273 1HD2 LEU 33 1HD2 LEU 33 18.637 13.956 -2.252 274 2HD2 LEU 33 2HD2 LEU 33 18.678 14.129 -4.008 275 3HD2 LEU 33 3HD2 LEU 33 18.813 12.530 -3.275 276 H GLU 34 H GLU 34 14.777 12.898 -5.440 277 HA GLU 34 HA GLU 34 13.495 15.202 -4.320 278 1HB GLU 34 2HB GLU 34 14.800 14.913 -6.561 279 2HB GLU 34 1HB GLU 34 13.243 14.381 -7.203 280 1HG GLU 34 2HG GLU 34 12.197 16.462 -6.490 281 2HG GLU 34 1HG GLU 34 13.705 16.968 -5.729 282 H LEU 35 H LEU 35 12.176 12.599 -6.445 283 HA LEU 35 HA LEU 35 9.508 13.361 -6.388 284 1HB LEU 35 2HB LEU 35 10.538 11.358 -7.614 285 2HB LEU 35 1HB LEU 35 10.395 10.477 -6.098 286 HG LEU 35 HG LEU 35 8.453 10.457 -7.971 287 1HD1 LEU 35 1HD1 LEU 35 6.896 9.794 -6.190 288 2HD1 LEU 35 2HD1 LEU 35 7.938 10.547 -4.983 289 3HD1 LEU 35 3HD1 LEU 35 8.500 9.133 -5.873 290 1HD2 LEU 35 1HD2 LEU 35 7.757 12.754 -6.115 291 2HD2 LEU 35 2HD2 LEU 35 6.645 12.000 -7.257 292 3HD2 LEU 35 3HD2 LEU 35 8.054 12.881 -7.847 293 H LEU 36 H LEU 36 11.098 11.148 -4.073 294 HA LEU 36 HA LEU 36 8.857 11.024 -2.318 295 1HB LEU 36 2HB LEU 36 11.065 9.568 -2.457 296 2HB LEU 36 1HB LEU 36 11.663 10.756 -1.294 297 HG LEU 36 HG LEU 36 10.584 8.769 -0.208 298 1HD1 LEU 36 1HD1 LEU 36 8.771 11.064 0.362 299 2HD1 LEU 36 2HD1 LEU 36 10.493 11.373 0.513 300 3HD1 LEU 36 3HD1 LEU 36 9.735 10.105 1.475 301 1HD2 LEU 36 1HD2 LEU 36 7.942 9.872 -1.087 302 2HD2 LEU 36 2HD2 LEU 36 8.363 8.222 -0.625 303 3HD2 LEU 36 3HD2 LEU 36 8.823 8.840 -2.212 304 H GLN 37 H GLN 37 11.411 13.343 -2.746 305 HA GLN 37 HA GLN 37 11.381 14.609 -0.226 306 1HB GLN 37 2HB GLN 37 12.803 15.134 -2.366 307 2HB GLN 37 1HB GLN 37 11.469 16.208 -2.784 308 1HG GLN 37 2HG GLN 37 11.972 17.699 -1.129 309 2HG GLN 37 1HG GLN 37 12.456 16.431 0.001 310 1HE2 GLN 37 1HE2 GLN 37 13.776 16.729 -3.293 311 2HE2 GLN 37 2HE2 GLN 37 15.354 17.120 -2.805 312 H GLN 38 H GLN 38 8.930 14.329 -2.592 313 HA GLN 38 HA GLN 38 7.178 16.057 -0.951 314 1HB GLN 38 2HB GLN 38 8.220 16.870 -3.441 315 2HB GLN 38 1HB GLN 38 6.560 16.372 -3.764 316 1HG GLN 38 2HG GLN 38 5.670 18.075 -2.536 317 2HG GLN 38 1HG GLN 38 6.944 17.997 -1.318 318 1HE2 GLN 38 1HE2 GLN 38 8.545 19.600 -1.434 319 2HE2 GLN 38 2HE2 GLN 38 8.784 20.625 -2.766 320 H ILE 39 H ILE 39 7.599 13.041 -1.731 321 HA ILE 39 HA ILE 39 4.790 12.655 -2.601 322 HB ILE 39 HB ILE 39 7.232 11.136 -3.382 323 1HG1 ILE 39 2HG1 ILE 39 6.424 12.933 -4.851 324 2HG1 ILE 39 1HG1 ILE 39 6.120 11.373 -5.604 325 1HG2 ILE 39 1HG2 ILE 39 5.270 9.618 -4.434 326 2HG2 ILE 39 2HG2 ILE 39 4.456 10.122 -2.953 327 3HG2 ILE 39 3HG2 ILE 39 5.990 9.256 -2.864 328 1HD1 ILE 39 1HD1 ILE 39 4.226 13.403 -4.928 329 2HD1 ILE 39 2HD1 ILE 39 3.860 11.949 -3.996 330 3HD1 ILE 39 3HD1 ILE 39 3.947 11.872 -5.754 331 H ALA 40 H ALA 40 7.254 11.527 -0.309 332 HA ALA 40 HA ALA 40 5.485 9.390 0.692 333 1HB ALA 40 1HB ALA 40 7.937 9.168 0.972 334 2HB ALA 40 2HB ALA 40 7.111 9.139 2.524 335 3HB ALA 40 3HB ALA 40 7.942 10.600 1.998 336 H GLN 41 H GLN 41 5.613 12.693 0.959 337 HA GLN 41 HA GLN 41 4.366 12.711 3.642 338 1HB GLN 41 2HB GLN 41 5.096 15.125 2.022 339 2HB GLN 41 1HB GLN 41 4.989 14.980 3.777 340 1HG GLN 41 2HG GLN 41 7.046 13.893 3.948 341 2HG GLN 41 1HG GLN 41 6.967 13.254 2.320 342 1HE2 GLN 41 1HE2 GLN 41 9.144 14.100 1.943 343 2HE2 GLN 41 2HE2 GLN 41 9.374 15.745 1.626 344 H LYS 42 H LYS 42 3.644 12.809 0.354 345 HA LYS 42 HA LYS 42 0.856 13.597 1.044 346 1HB LYS 42 2HB LYS 42 0.786 14.743 -1.260 347 2HB LYS 42 1HB LYS 42 1.625 15.590 0.040 348 1HG LYS 42 2HG LYS 42 3.307 15.738 -1.490 349 2HG LYS 42 1HG LYS 42 3.662 14.091 -0.976 350 1HD LYS 42 2HD LYS 42 3.532 13.889 -3.310 351 2HD LYS 42 1HD LYS 42 1.928 13.401 -2.788 352 1HE LYS 42 2HE LYS 42 1.914 15.035 -4.700 353 2HE LYS 42 1HE LYS 42 1.028 15.595 -3.281 354 1HZ LYS 42 1HZ LYS 42 2.935 17.004 -4.535 355 2HZ LYS 42 2HZ LYS 42 3.837 16.269 -3.297 356 3HZ LYS 42 3HZ LYS 42 2.490 17.230 -2.914 357 HA PRO 43 HA PRO 43 1.326 9.951 -2.012 358 1HB PRO 43 2HB PRO 43 1.355 7.813 -0.290 359 2HB PRO 43 1HB PRO 43 2.825 8.567 -0.935 360 1HG PRO 43 2HG PRO 43 1.610 8.844 1.790 361 2HG PRO 43 1HG PRO 43 3.314 8.880 1.307 362 1HD PRO 43 2HD PRO 43 1.812 11.164 1.890 363 2HD PRO 43 1HD PRO 43 3.277 11.128 0.894 364 H GLY 44 H GLY 44 -0.063 8.684 0.994 365 1HA GLY 44 2HA GLY 44 -2.273 8.087 1.520 366 2HA GLY 44 1HA GLY 44 -2.761 9.496 0.572 367 H ALA 45 H ALA 45 -0.791 7.292 -1.126 368 HA ALA 45 HA ALA 45 -3.090 5.776 -2.185 369 1HB ALA 45 1HB ALA 45 -1.375 7.555 -3.935 370 2HB ALA 45 2HB ALA 45 -3.051 7.870 -3.486 371 3HB ALA 45 3HB ALA 45 -2.655 6.479 -4.495 372 H LEU 46 H LEU 46 0.252 5.886 -1.412 373 HA LEU 46 HA LEU 46 1.494 4.269 -3.292 374 1HB LEU 46 2HB LEU 46 2.081 5.078 -0.696 375 2HB LEU 46 1HB LEU 46 2.025 3.321 -0.572 376 HG LEU 46 HG LEU 46 3.587 4.790 -2.709 377 1HD1 LEU 46 1HD1 LEU 46 4.401 5.236 -0.355 378 2HD1 LEU 46 2HD1 LEU 46 5.569 4.412 -1.387 379 3HD1 LEU 46 3HD1 LEU 46 4.656 3.499 -0.185 380 1HD2 LEU 46 1HD2 LEU 46 2.802 2.361 -3.016 381 2HD2 LEU 46 2HD2 LEU 46 3.902 1.960 -1.697 382 3HD2 LEU 46 3HD2 LEU 46 4.532 2.657 -3.189 383 H ARG 47 H ARG 47 0.300 2.761 -0.316 384 HA ARG 47 HA ARG 47 -0.025 0.273 -0.372 385 1HB ARG 47 2HB ARG 47 -2.602 1.819 -0.745 386 2HB ARG 47 1HB ARG 47 -2.450 0.224 -0.006 387 1HG ARG 47 2HG ARG 47 -1.954 1.162 1.974 388 2HG ARG 47 1HG ARG 47 -0.580 2.002 1.252 389 1HD ARG 47 2HD ARG 47 -1.695 3.967 1.182 390 2HD ARG 47 1HD ARG 47 -3.138 3.209 0.510 391 HE ARG 47 HE ARG 47 -2.597 3.666 3.370 392 1HH1 ARG 47 2HH1 ARG 47 -5.176 4.505 2.676 393 2HH1 ARG 47 1HH1 ARG 47 -6.207 3.136 2.928 394 1HH2 ARG 47 2HH2 ARG 47 -5.316 1.063 3.078 395 2HH2 ARG 47 1HH2 ARG 47 -3.603 0.845 2.941 396 H ILE 48 H ILE 48 -2.360 1.645 -2.710 397 HA ILE 48 HA ILE 48 -2.940 -0.601 -4.177 398 HB ILE 48 HB ILE 48 -2.357 2.146 -5.327 399 1HG1 ILE 48 2HG1 ILE 48 -4.056 2.113 -3.517 400 2HG1 ILE 48 1HG1 ILE 48 -4.787 2.473 -5.081 401 1HG2 ILE 48 1HG2 ILE 48 -3.199 -0.383 -6.528 402 2HG2 ILE 48 2HG2 ILE 48 -2.687 1.112 -7.311 403 3HG2 ILE 48 3HG2 ILE 48 -4.366 0.910 -6.807 404 1HD1 ILE 48 1HD1 ILE 48 -6.212 0.843 -4.102 405 2HD1 ILE 48 2HD1 ILE 48 -4.849 -0.131 -3.551 406 3HD1 ILE 48 3HD1 ILE 48 -5.237 -0.049 -5.270 407 H LEU 49 H LEU 49 -0.305 1.602 -5.231 408 HA LEU 49 HA LEU 49 0.860 -0.606 -6.790 409 1HB LEU 49 2HB LEU 49 2.380 1.929 -6.425 410 2HB LEU 49 1HB LEU 49 2.086 0.996 -7.890 411 HG LEU 49 HG LEU 49 -0.454 1.857 -7.218 412 1HD1 LEU 49 1HD1 LEU 49 1.597 3.953 -6.478 413 2HD1 LEU 49 2HD1 LEU 49 0.235 3.379 -5.515 414 3HD1 LEU 49 3HD1 LEU 49 -0.051 4.374 -6.942 415 1HD2 LEU 49 1HD2 LEU 49 -0.328 2.645 -9.338 416 2HD2 LEU 49 2HD2 LEU 49 1.337 2.065 -9.333 417 3HD2 LEU 49 3HD2 LEU 49 0.989 3.745 -8.929 418 H ASN 50 H ASN 50 1.067 0.496 -3.604 419 HA ASN 50 HA ASN 50 3.850 0.087 -3.070 420 1HB ASN 50 2HB ASN 50 2.222 1.193 -1.487 421 2HB ASN 50 1HB ASN 50 1.549 -0.401 -1.162 422 1HD2 ASN 50 1HD2 ASN 50 5.030 0.153 -1.726 423 2HD2 ASN 50 2HD2 ASN 50 5.518 -0.252 -0.155 424 H HIS 51 H HIS 51 1.095 -2.036 -3.397 425 HA HIS 51 HA HIS 51 1.889 -4.380 -2.165 426 1HB HIS 51 2HB HIS 51 -0.177 -4.196 -3.505 427 2HB HIS 51 1HB HIS 51 0.782 -4.117 -4.983 428 HD1 HIS 51 HD1 HIS 51 0.380 -6.490 -2.010 429 HD2 HIS 51 HD2 HIS 51 1.177 -6.598 -6.098 430 HE1 HIS 51 HE1 HIS 51 0.535 -8.935 -2.644 431 H SER 52 H SER 52 3.321 -2.812 -4.964 432 HA SER 52 HA SER 52 5.457 -4.892 -4.901 433 1HB SER 52 2HB SER 52 5.213 -3.588 -7.474 434 2HB SER 52 1HB SER 52 5.161 -5.304 -7.096 435 HG SER 52 HG SER 52 3.069 -3.406 -7.138 436 H LEU 53 H LEU 53 4.638 -1.678 -4.428 437 HA LEU 53 HA LEU 53 7.146 -0.551 -5.430 438 1HB LEU 53 2HB LEU 53 4.612 0.521 -4.725 439 2HB LEU 53 1HB LEU 53 5.783 1.223 -3.611 440 HG LEU 53 HG LEU 53 7.100 2.112 -5.381 441 1HD1 LEU 53 1HD1 LEU 53 5.537 0.177 -7.073 442 2HD1 LEU 53 2HD1 LEU 53 7.281 0.357 -6.934 443 3HD1 LEU 53 3HD1 LEU 53 6.341 1.562 -7.808 444 1HD2 LEU 53 1HD2 LEU 53 4.749 3.136 -4.974 445 2HD2 LEU 53 2HD2 LEU 53 4.320 2.400 -6.518 446 3HD2 LEU 53 3HD2 LEU 53 5.608 3.603 -6.442 447 H ARG 54 H ARG 54 6.108 -2.188 -2.666 448 HA ARG 54 HA ARG 54 7.680 -0.943 -0.634 449 1HB ARG 54 2HB ARG 54 6.029 -2.756 -0.188 450 2HB ARG 54 1HB ARG 54 7.084 -3.899 -1.020 451 1HG ARG 54 2HG ARG 54 8.113 -4.251 0.954 452 2HG ARG 54 1HG ARG 54 8.747 -2.609 0.835 453 1HD ARG 54 2HD ARG 54 7.522 -2.042 2.633 454 2HD ARG 54 1HD ARG 54 6.060 -2.376 1.705 455 HE ARG 54 HE ARG 54 6.990 -4.869 2.611 456 1HH1 ARG 54 2HH1 ARG 54 7.227 -5.218 4.988 457 2HH1 ARG 54 1HH1 ARG 54 6.033 -4.434 5.966 458 1HH2 ARG 54 2HH2 ARG 54 4.707 -2.836 5.070 459 2HH2 ARG 54 1HH2 ARG 54 4.886 -2.399 3.404 460 H LEU 55 H LEU 55 8.458 -2.765 -3.444 461 HA LEU 55 HA LEU 55 11.025 -3.808 -2.760 462 1HB LEU 55 2HB LEU 55 9.432 -3.393 -5.171 463 2HB LEU 55 1HB LEU 55 11.141 -3.083 -5.463 464 HG LEU 55 HG LEU 55 10.313 -5.511 -5.759 465 1HD1 LEU 55 1HD1 LEU 55 12.500 -6.021 -5.570 466 2HD1 LEU 55 2HD1 LEU 55 12.480 -5.745 -3.829 467 3HD1 LEU 55 3HD1 LEU 55 12.735 -4.393 -4.933 468 1HD2 LEU 55 1HD2 LEU 55 10.755 -5.848 -2.835 469 2HD2 LEU 55 2HD2 LEU 55 9.695 -6.744 -3.922 470 3HD2 LEU 55 3HD2 LEU 55 9.202 -5.163 -3.315 471 H ALA 56 H ALA 56 9.949 -0.669 -3.927 472 HA ALA 56 HA ALA 56 12.036 0.757 -4.788 473 1HB ALA 56 1HB ALA 56 10.704 1.850 -2.325 474 2HB ALA 56 2HB ALA 56 9.755 1.569 -3.785 475 3HB ALA 56 3HB ALA 56 11.125 2.680 -3.824 476 H ALA 57 H ALA 57 11.751 -0.373 -1.432 477 HA ALA 57 HA ALA 57 14.530 0.581 -0.913 478 1HB ALA 57 1HB ALA 57 12.141 0.496 0.675 479 2HB ALA 57 2HB ALA 57 13.719 1.153 1.109 480 3HB ALA 57 3HB ALA 57 13.352 -0.543 1.427 481 H MET 58 H MET 58 12.492 -2.289 -1.074 482 HA MET 58 HA MET 58 14.346 -4.138 0.104 483 1HB MET 58 2HB MET 58 11.782 -4.260 -1.036 484 2HB MET 58 1HB MET 58 12.780 -5.318 -2.035 485 1HG MET 58 2HG MET 58 13.419 -6.652 -0.175 486 2HG MET 58 1HG MET 58 12.855 -5.447 0.983 487 1HE MET 58 1HE MET 58 10.834 -8.180 -1.818 488 2HE MET 58 2HE MET 58 11.316 -9.038 -0.356 489 3HE MET 58 3HE MET 58 12.503 -8.079 -1.237 490 H THR 59 H THR 59 16.438 -3.757 -0.751 491 HA THR 59 HA THR 59 16.769 -4.076 -3.687 492 HB THR 59 HB THR 59 17.945 -2.182 -2.690 493 HG1 THR 59 HG1 THR 59 19.241 -2.868 -4.219 494 1HG2 THR 59 1HG2 THR 59 18.379 -4.064 -0.571 495 2HG2 THR 59 2HG2 THR 59 18.724 -2.335 -0.589 496 3HG2 THR 59 3HG2 THR 59 19.945 -3.483 -1.139 497 H ALA 60 H ALA 60 16.247 -6.231 -1.500 498 HA ALA 60 HA ALA 60 18.571 -7.965 -2.243 499 1HB ALA 60 1HB ALA 60 16.797 -8.168 0.210 500 2HB ALA 60 2HB ALA 60 18.420 -7.481 0.193 501 3HB ALA 60 3HB ALA 60 18.185 -9.193 -0.157 502 H HIS 61 H HIS 61 15.462 -7.392 -3.036 503 HA HIS 61 HA HIS 61 14.007 -9.758 -2.897 504 1HB HIS 61 2HB HIS 61 13.362 -7.511 -3.978 505 2HB HIS 61 1HB HIS 61 14.148 -8.126 -5.431 506 HD1 HIS 61 HD1 HIS 61 12.469 -10.676 -3.339 507 HD2 HIS 61 HD2 HIS 61 11.467 -8.270 -6.594 508 HE1 HIS 61 HE1 HIS 61 10.335 -11.633 -4.306 509 H GLY 62 H GLY 62 15.479 -11.518 -3.002 510 1HA GLY 62 2HA GLY 62 17.086 -11.973 -5.399 511 2HA GLY 62 1HA GLY 62 16.885 -13.104 -4.059 512 H LYS 63 H LYS 63 15.162 -11.769 -6.879 513 HA LYS 63 HA LYS 63 14.253 -14.381 -7.696 514 1HB LYS 63 2HB LYS 63 12.711 -13.273 -5.673 515 2HB LYS 63 1HB LYS 63 11.840 -12.813 -7.136 516 1HG LYS 63 2HG LYS 63 11.268 -14.963 -7.626 517 2HG LYS 63 1HG LYS 63 12.824 -15.600 -7.096 518 1HD LYS 63 2HD LYS 63 12.133 -15.313 -4.737 519 2HD LYS 63 1HD LYS 63 10.566 -14.706 -5.277 520 1HE LYS 63 2HE LYS 63 9.946 -16.895 -5.092 521 2HE LYS 63 1HE LYS 63 10.701 -17.031 -6.681 522 1HZ LYS 63 1HZ LYS 63 12.393 -18.203 -5.856 523 2HZ LYS 63 2HZ LYS 63 11.406 -18.454 -4.496 524 3HZ LYS 63 3HZ LYS 63 12.560 -17.207 -4.491 525 H GLY 64 H GLY 64 13.761 -10.869 -7.827 526 1HA GLY 64 2HA GLY 64 14.134 -10.831 -10.692 527 2HA GLY 64 1HA GLY 64 12.428 -10.632 -10.282 528 H GLU 65 H GLU 65 15.554 -9.114 -10.273 529 HA GLU 65 HA GLU 65 14.350 -6.493 -9.969 530 1HB GLU 65 2HB GLU 65 15.471 -5.866 -7.880 531 2HB GLU 65 1HB GLU 65 14.397 -7.236 -7.597 532 1HG GLU 65 2HG GLU 65 16.221 -8.194 -6.637 533 2HG GLU 65 1HG GLU 65 16.721 -8.504 -8.300 534 H ARG 66 H ARG 66 15.522 -5.445 -11.502 535 HA ARG 66 HA ARG 66 18.129 -6.259 -12.363 536 1HB ARG 66 2HB ARG 66 16.287 -4.693 -13.480 537 2HB ARG 66 1HB ARG 66 17.244 -3.423 -12.718 538 1HG ARG 66 2HG ARG 66 18.357 -3.609 -14.741 539 2HG ARG 66 1HG ARG 66 19.267 -4.772 -13.776 540 1HD ARG 66 2HD ARG 66 16.910 -6.013 -14.928 541 2HD ARG 66 1HD ARG 66 17.914 -5.286 -16.182 542 HE ARG 66 HE ARG 66 19.778 -6.625 -14.724 543 1HH1 ARG 66 2HH1 ARG 66 20.086 -8.875 -14.519 544 2HH1 ARG 66 1HH1 ARG 66 18.965 -9.947 -15.291 545 1HH2 ARG 66 2HH2 ARG 66 17.128 -9.116 -16.313 546 2HH2 ARG 66 1HH2 ARG 66 16.841 -7.408 -16.325 547 H VAL 67 H VAL 67 19.315 -3.514 -12.380 548 HA VAL 67 HA VAL 67 19.971 -3.234 -9.485 549 HB VAL 67 HB VAL 67 21.797 -4.517 -10.250 550 1HG1 VAL 67 1HG1 VAL 67 21.562 -2.843 -12.750 551 2HG1 VAL 67 2HG1 VAL 67 21.457 -4.596 -12.591 552 3HG1 VAL 67 3HG1 VAL 67 23.012 -3.785 -12.405 553 1HG2 VAL 67 1HG2 VAL 67 22.290 -2.113 -9.251 554 2HG2 VAL 67 2HG2 VAL 67 22.941 -1.812 -10.862 555 3HG2 VAL 67 3HG2 VAL 67 23.609 -3.108 -9.870 556 H ASN 68 H ASN 68 19.586 -1.726 -12.632 557 HA ASN 68 HA ASN 68 20.258 0.906 -11.384 558 1HB ASN 68 2HB ASN 68 21.203 -0.142 -13.731 559 2HB ASN 68 1HB ASN 68 19.843 0.826 -14.302 560 1HD2 ASN 68 1HD2 ASN 68 22.512 1.626 -14.899 561 2HD2 ASN 68 2HD2 ASN 68 22.860 3.048 -14.040 562 H GLU 69 H GLU 69 18.907 2.533 -13.227 563 HA GLU 69 HA GLU 69 16.453 3.051 -12.161 564 1HB GLU 69 2HB GLU 69 17.365 4.428 -13.946 565 2HB GLU 69 1HB GLU 69 17.153 3.120 -15.110 566 1HG GLU 69 2HG GLU 69 14.656 3.193 -14.466 567 2HG GLU 69 1HG GLU 69 15.025 4.754 -13.728 568 H ASP 70 H ASP 70 16.922 0.690 -14.828 569 HA ASP 70 HA ASP 70 14.254 -0.101 -15.141 570 1HB ASP 70 2HB ASP 70 16.518 -2.090 -15.077 571 2HB ASP 70 1HB ASP 70 15.047 -2.143 -16.049 572 H TYR 71 H TYR 71 16.642 -1.514 -12.878 573 HA TYR 71 HA TYR 71 15.475 -3.464 -11.494 574 1HB TYR 71 2HB TYR 71 17.372 -2.546 -10.442 575 2HB TYR 71 1HB TYR 71 16.671 -0.933 -10.387 576 HD1 TYR 71 HD1 TYR 71 16.547 -0.310 -8.168 577 HD2 TYR 71 HD2 TYR 71 15.248 -4.240 -9.312 578 HE1 TYR 71 HE1 TYR 71 15.696 -0.686 -5.870 579 HE2 TYR 71 HE2 TYR 71 14.398 -4.620 -7.010 580 HH TYR 71 HH TYR 71 13.594 -2.633 -4.992 581 H LEU 72 H LEU 72 14.426 -0.107 -11.076 582 HA LEU 72 HA LEU 72 12.423 -0.606 -9.200 583 1HB LEU 72 2HB LEU 72 12.264 1.471 -11.363 584 2HB LEU 72 1HB LEU 72 11.530 1.532 -9.761 585 HG LEU 72 HG LEU 72 14.434 1.773 -10.505 586 1HD1 LEU 72 1HD1 LEU 72 13.054 3.787 -10.402 587 2HD1 LEU 72 2HD1 LEU 72 14.187 3.765 -9.052 588 3HD1 LEU 72 3HD1 LEU 72 12.497 3.343 -8.790 589 1HD2 LEU 72 1HD2 LEU 72 13.935 0.091 -8.547 590 2HD2 LEU 72 2HD2 LEU 72 13.491 1.543 -7.658 591 3HD2 LEU 72 3HD2 LEU 72 15.118 1.367 -8.297 592 H ARG 73 H ARG 73 11.963 -0.165 -12.686 593 HA ARG 73 HA ARG 73 9.204 -1.072 -12.522 594 1HB ARG 73 2HB ARG 73 11.115 -0.815 -14.873 595 2HB ARG 73 1HB ARG 73 9.414 -1.246 -15.044 596 1HG ARG 73 2HG ARG 73 8.702 0.878 -14.638 597 2HG ARG 73 1HG ARG 73 9.921 1.152 -13.394 598 1HD ARG 73 2HD ARG 73 10.111 2.490 -15.619 599 2HD ARG 73 1HD ARG 73 11.570 1.749 -14.962 600 HE ARG 73 HE ARG 73 10.936 -0.203 -16.592 601 1HH1 ARG 73 2HH1 ARG 73 12.344 2.405 -17.580 602 2HH1 ARG 73 1HH1 ARG 73 11.498 2.647 -19.072 603 1HH2 ARG 73 1HH2 ARG 73 8.957 0.418 -18.299 604 2HH2 ARG 73 2HH2 ARG 73 9.580 1.521 -19.479 605 H GLN 74 H GLN 74 12.161 -2.691 -12.403 606 HA GLN 74 HA GLN 74 10.996 -5.212 -13.420 607 1HB GLN 74 2HB GLN 74 13.441 -4.359 -13.927 608 2HB GLN 74 1HB GLN 74 13.788 -4.930 -12.298 609 1HG GLN 74 2HG GLN 74 14.280 -6.774 -13.721 610 2HG GLN 74 1HG GLN 74 12.719 -7.147 -12.993 611 1HE2 GLN 74 1HE2 GLN 74 12.892 -8.536 -15.212 612 2HE2 GLN 74 2HE2 GLN 74 12.143 -7.803 -16.548 613 H ALA 75 H ALA 75 11.279 -3.437 -10.644 614 HA ALA 75 HA ALA 75 11.471 -5.722 -8.785 615 1HB ALA 75 1HB ALA 75 10.879 -3.271 -7.443 616 2HB ALA 75 2HB ALA 75 12.064 -2.901 -8.693 617 3HB ALA 75 3HB ALA 75 12.421 -4.125 -7.477 618 H PHE 76 H PHE 76 9.340 -2.956 -9.390 619 HA PHE 76 HA PHE 76 7.090 -4.382 -8.107 620 1HB PHE 76 2HB PHE 76 6.400 -2.302 -7.493 621 2HB PHE 76 1HB PHE 76 7.995 -1.782 -7.978 622 HD1 PHE 76 HD1 PHE 76 8.117 -1.594 -10.746 623 HD2 PHE 76 HD2 PHE 76 4.688 -0.973 -8.244 624 HE1 PHE 76 HE1 PHE 76 7.083 -0.198 -12.505 625 HE2 PHE 76 HE2 PHE 76 3.651 0.430 -9.995 626 HZ PHE 76 HZ PHE 76 4.850 0.818 -12.145 627 H ARG 77 H ARG 77 8.176 -5.035 -10.867 628 HA ARG 77 HA ARG 77 5.549 -4.953 -12.220 629 1HB ARG 77 2HB ARG 77 7.604 -3.091 -12.797 630 2HB ARG 77 1HB ARG 77 7.547 -4.208 -14.150 631 1HG ARG 77 2HG ARG 77 4.926 -3.865 -13.911 632 2HG ARG 77 1HG ARG 77 5.418 -2.357 -13.141 633 1HD ARG 77 2HD ARG 77 5.103 -1.968 -15.528 634 2HD ARG 77 1HD ARG 77 6.819 -1.837 -15.139 635 HE ARG 77 HE ARG 77 6.411 -4.511 -15.884 636 1HH1 ARG 77 2HH1 ARG 77 4.988 -1.865 -17.398 637 2HH1 ARG 77 1HH1 ARG 77 5.711 -2.141 -18.948 638 1HH2 ARG 77 1HH2 ARG 77 7.804 -4.665 -17.817 639 2HH2 ARG 77 2HH2 ARG 77 7.305 -3.727 -19.185 640 H GLU 78 H GLU 78 8.943 -5.973 -12.312 641 HA GLU 78 HA GLU 78 8.729 -7.849 -14.417 642 1HB GLU 78 2HB GLU 78 10.857 -8.472 -13.828 643 2HB GLU 78 1HB GLU 78 10.763 -6.992 -12.883 644 1HG GLU 78 2HG GLU 78 11.509 -8.522 -11.281 645 2HG GLU 78 1HG GLU 78 9.763 -8.583 -11.033 646 H LEU 79 H LEU 79 7.270 -7.920 -11.319 647 HA LEU 79 HA LEU 79 6.939 -10.875 -11.431 648 1HB LEU 79 2HB LEU 79 6.234 -8.862 -9.278 649 2HB LEU 79 1HB LEU 79 5.917 -10.593 -9.167 650 HG LEU 79 HG LEU 79 8.531 -10.660 -9.845 651 1HD1 LEU 79 1HD1 LEU 79 8.493 -8.092 -9.744 652 2HD1 LEU 79 2HD1 LEU 79 9.767 -8.900 -8.831 653 3HD1 LEU 79 3HD1 LEU 79 8.344 -8.277 -7.996 654 1HD2 LEU 79 1HD2 LEU 79 8.691 -11.642 -7.811 655 2HD2 LEU 79 2HD2 LEU 79 6.978 -11.260 -7.632 656 3HD2 LEU 79 3HD2 LEU 79 8.198 -10.171 -6.973 657 H ASP 80 H ASP 80 4.683 -8.299 -10.377 658 HA ASP 80 HA ASP 80 2.823 -8.584 -12.505 659 1HB ASP 80 2HB ASP 80 1.136 -9.995 -11.115 660 2HB ASP 80 1HB ASP 80 2.428 -10.837 -11.975 661 H LEU 81 H LEU 81 2.910 -8.397 -8.943 662 HA LEU 81 HA LEU 81 2.242 -6.618 -7.579 663 1HB LEU 81 2HB LEU 81 0.762 -5.405 -9.907 664 2HB LEU 81 1HB LEU 81 1.366 -4.628 -8.454 665 HG LEU 81 HG LEU 81 2.842 -5.383 -10.936 666 1HD1 LEU 81 1HD1 LEU 81 2.090 -3.034 -9.714 667 2HD1 LEU 81 2HD1 LEU 81 3.359 -3.185 -10.930 668 3HD1 LEU 81 3HD1 LEU 81 3.773 -3.196 -9.216 669 1HD2 LEU 81 1HD2 LEU 81 3.807 -5.971 -8.224 670 2HD2 LEU 81 2HD2 LEU 81 4.860 -4.881 -9.100 671 3HD2 LEU 81 3HD2 LEU 81 4.473 -6.458 -9.775 672 H ASP 82 H ASP 82 1.034 -8.904 -7.334 673 HA ASP 82 HA ASP 82 -1.652 -8.219 -6.629 674 1HB ASP 82 2HB ASP 82 -2.736 -9.946 -8.172 675 2HB ASP 82 1HB ASP 82 -2.233 -8.430 -8.921 676 H VAL 83 H VAL 83 0.769 -10.697 -7.119 677 HA VAL 83 HA VAL 83 -0.205 -12.025 -4.667 678 HB VAL 83 HB VAL 83 0.285 -13.659 -7.160 679 1HG1 VAL 83 1HG1 VAL 83 0.182 -15.330 -5.657 680 2HG1 VAL 83 2HG1 VAL 83 -1.502 -14.891 -5.368 681 3HG1 VAL 83 3HG1 VAL 83 -0.226 -14.204 -4.363 682 1HG2 VAL 83 1HG2 VAL 83 -1.643 -12.100 -7.485 683 2HG2 VAL 83 2HG2 VAL 83 -2.382 -12.761 -6.025 684 3HG2 VAL 83 3HG2 VAL 83 -2.137 -13.793 -7.435 685 H ASP 84 H ASP 84 2.222 -12.108 -7.274 686 HA ASP 84 HA ASP 84 4.159 -13.636 -5.838 687 1HB ASP 84 2HB ASP 84 4.582 -11.526 -7.971 688 2HB ASP 84 1HB ASP 84 5.788 -12.694 -7.439 689 H ILE 85 H ILE 85 3.581 -10.147 -6.000 690 HA ILE 85 HA ILE 85 5.860 -9.635 -4.207 691 HB ILE 85 HB ILE 85 4.317 -7.298 -4.314 692 1HG1 ILE 85 2HG1 ILE 85 3.013 -8.433 -6.166 693 2HG1 ILE 85 1HG1 ILE 85 3.810 -6.934 -6.638 694 1HG2 ILE 85 1HG2 ILE 85 6.822 -8.326 -5.568 695 2HG2 ILE 85 2HG2 ILE 85 6.598 -7.000 -4.427 696 3HG2 ILE 85 3HG2 ILE 85 6.185 -6.781 -6.128 697 1HD1 ILE 85 1HD1 ILE 85 4.222 -9.616 -7.668 698 2HD1 ILE 85 2HD1 ILE 85 5.734 -8.926 -7.079 699 3HD1 ILE 85 3HD1 ILE 85 4.796 -8.076 -8.307 700 H SER 86 H SER 86 2.927 -10.913 -3.670 701 HA SER 86 HA SER 86 1.989 -9.326 -1.439 702 1HB SER 86 2HB SER 86 0.435 -11.127 -1.049 703 2HB SER 86 1HB SER 86 0.573 -10.928 -2.793 704 HG SER 86 HG SER 86 0.746 -13.119 -2.162 705 H THR 87 H THR 87 1.624 -11.024 0.640 706 HA THR 87 HA THR 87 4.418 -11.530 1.552 707 HB THR 87 HB THR 87 1.852 -11.316 3.163 708 HG1 THR 87 HG1 THR 87 3.874 -9.455 3.415 709 1HG2 THR 87 1HG2 THR 87 3.098 -12.333 4.745 710 2HG2 THR 87 2HG2 THR 87 4.048 -10.848 4.803 711 3HG2 THR 87 3HG2 THR 87 4.568 -12.189 3.781 712 H LEU 88 H LEU 88 2.445 -13.208 -0.128 713 HA LEU 88 HA LEU 88 2.511 -15.640 1.593 714 1HB LEU 88 2HB LEU 88 0.754 -15.783 -0.729 715 2HB LEU 88 1HB LEU 88 0.392 -16.078 0.964 716 HG LEU 88 HG LEU 88 0.601 -13.313 -0.241 717 1HD1 LEU 88 1HD1 LEU 88 -2.011 -14.426 0.632 718 2HD1 LEU 88 2HD1 LEU 88 -1.360 -15.062 -0.879 719 3HD1 LEU 88 3HD1 LEU 88 -1.643 -13.331 -0.700 720 1HD2 LEU 88 1HD2 LEU 88 -0.835 -14.050 2.290 721 2HD2 LEU 88 2HD2 LEU 88 -0.078 -12.520 1.844 722 3HD2 LEU 88 3HD2 LEU 88 0.922 -13.893 2.320 723 H LEU 89 H LEU 89 2.777 -17.697 0.300 724 HA LEU 89 HA LEU 89 3.692 -17.763 -2.374 725 1HB LEU 89 2HB LEU 89 6.180 -18.111 -1.837 726 2HB LEU 89 1HB LEU 89 5.591 -16.449 -1.799 727 HG LEU 89 HG LEU 89 5.201 -17.703 0.778 728 1HD1 LEU 89 1HD1 LEU 89 7.273 -18.513 1.329 729 2HD1 LEU 89 2HD1 LEU 89 8.109 -17.390 0.258 730 3HD1 LEU 89 3HD1 LEU 89 7.356 -18.841 -0.402 731 1HD2 LEU 89 1HD2 LEU 89 6.245 -15.239 -0.430 732 2HD2 LEU 89 2HD2 LEU 89 7.113 -15.710 1.030 733 3HD2 LEU 89 3HD2 LEU 89 5.369 -15.461 1.085 734 H ARG 90 H ARG 90 4.779 -19.879 -2.856 735 HA ARG 90 HA ARG 90 4.681 -21.895 -0.707 736 1HB ARG 90 2HB ARG 90 3.242 -23.358 -2.320 737 2HB ARG 90 1HB ARG 90 2.429 -22.144 -1.331 738 1HG ARG 90 2HG ARG 90 2.323 -20.598 -3.167 739 2HG ARG 90 1HG ARG 90 3.391 -21.600 -4.149 740 1HD ARG 90 2HD ARG 90 1.231 -22.099 -4.970 741 2HD ARG 90 1HD ARG 90 1.594 -23.439 -3.881 742 HE ARG 90 HE ARG 90 -0.125 -22.672 -2.452 743 1HH1 ARG 90 2HH1 ARG 90 0.019 -20.199 -1.488 744 2HH1 ARG 90 1HH1 ARG 90 -0.910 -19.143 -2.500 745 1HH2 ARG 90 2HH2 ARG 90 -1.486 -19.794 -4.587 746 2HH2 ARG 90 1HH2 ARG 90 -1.000 -21.350 -5.174 747 H ASN 91 HN ASN 91 5.116 -24.170 -1.955 748 HA ASN 91 HA ASN 91 7.615 -23.684 -3.447 749 1HB ASN 91 2HB ASN 91 7.961 -26.114 -3.187 750 2HB ASN 91 1HB ASN 91 7.583 -25.366 -1.635 751 1HD2 ASN 91 1HD2 ASN 91 5.541 -25.890 -0.632 752 2HD2 ASN 91 2HD2 ASN 91 4.520 -27.103 -1.239 Start of MODEL 4 1 1H GLY 1 1H GLY 1 -6.815 19.793 -0.969 2 2H GLY 1 2H GLY 1 -5.770 18.779 -0.093 3 3H GLY 1 3H GLY 1 -5.822 20.444 0.243 4 1HA GLY 1 1HA GLY 1 -7.204 19.652 1.884 5 2HA GLY 1 2HA GLY 1 -8.435 19.941 0.619 6 H SER 2 H SER 2 -9.363 18.494 2.441 7 HA SER 2 HA SER 2 -7.960 15.893 2.898 8 1HB SER 2 2HB SER 2 -9.850 17.509 4.601 9 2HB SER 2 1HB SER 2 -9.626 15.786 4.885 10 HG SER 2 HG SER 2 -8.002 17.877 5.481 11 H ARG 3 H ARG 3 -11.155 17.365 2.322 12 HA ARG 3 HA ARG 3 -12.240 14.690 1.632 13 1HB ARG 3 2HB ARG 3 -13.438 16.513 3.084 14 2HB ARG 3 1HB ARG 3 -13.814 17.252 1.526 15 1HG ARG 3 2HG ARG 3 -15.267 15.590 0.938 16 2HG ARG 3 1HG ARG 3 -14.308 14.333 1.722 17 1HD ARG 3 2HD ARG 3 -15.379 14.580 3.726 18 2HD ARG 3 1HD ARG 3 -15.544 16.324 3.537 19 HE ARG 3 HE ARG 3 -17.272 14.506 1.927 20 1HH1 ARG 3 2HH1 ARG 3 -17.427 17.582 2.095 21 2HH1 ARG 3 1HH1 ARG 3 -18.806 17.772 3.126 22 1HH2 ARG 3 1HH2 ARG 3 -18.786 14.478 4.204 23 2HH2 ARG 3 2HH2 ARG 3 -19.575 16.016 4.319 24 H ILE 4 H ILE 4 -10.262 16.110 -0.086 25 HA ILE 4 HA ILE 4 -11.457 17.355 -2.326 26 HB ILE 4 HB ILE 4 -9.454 16.520 -3.592 27 1HG1 ILE 4 2HG1 ILE 4 -8.465 15.333 -1.018 28 2HG1 ILE 4 1HG1 ILE 4 -9.492 14.358 -2.070 29 1HG2 ILE 4 1HG2 ILE 4 -9.510 18.532 -1.960 30 2HG2 ILE 4 2HG2 ILE 4 -7.932 17.904 -2.434 31 3HG2 ILE 4 3HG2 ILE 4 -8.612 17.485 -0.862 32 1HD1 ILE 4 1HD1 ILE 4 -7.807 14.020 -3.531 33 2HD1 ILE 4 2HD1 ILE 4 -6.729 14.737 -2.334 34 3HD1 ILE 4 3HD1 ILE 4 -7.440 15.743 -3.596 35 H ALA 5 H ALA 5 -11.757 16.353 -4.525 36 HA ALA 5 HA ALA 5 -13.553 14.101 -4.356 37 1HB ALA 5 1HB ALA 5 -12.589 15.945 -6.429 38 2HB ALA 5 2HB ALA 5 -14.178 15.204 -6.236 39 3HB ALA 5 3HB ALA 5 -12.880 14.313 -7.029 40 H LYS 6 H LYS 6 -10.161 14.480 -5.292 41 HA LYS 6 HA LYS 6 -9.900 11.730 -6.214 42 1HB LYS 6 2HB LYS 6 -8.197 14.100 -5.985 43 2HB LYS 6 1HB LYS 6 -7.347 12.615 -5.556 44 1HG LYS 6 2HG LYS 6 -7.048 12.415 -7.805 45 2HG LYS 6 1HG LYS 6 -8.703 11.805 -7.782 46 1HD LYS 6 2HD LYS 6 -9.588 13.773 -8.611 47 2HD LYS 6 1HD LYS 6 -8.308 14.765 -7.912 48 1HE LYS 6 2HE LYS 6 -7.582 12.801 -10.052 49 2HE LYS 6 1HE LYS 6 -8.378 14.304 -10.522 50 1HZ LYS 6 1HZ LYS 6 -5.985 14.559 -10.528 51 2HZ LYS 6 2HZ LYS 6 -5.898 14.078 -8.900 52 3HZ LYS 6 3HZ LYS 6 -6.671 15.532 -9.320 53 H ARG 7 H ARG 7 -7.657 10.769 -4.947 54 HA ARG 7 HA ARG 7 -8.734 9.729 -2.494 55 1HB ARG 7 2HB ARG 7 -6.605 9.103 -4.196 56 2HB ARG 7 1HB ARG 7 -5.834 9.549 -2.674 57 1HG ARG 7 2HG ARG 7 -6.328 7.473 -1.944 58 2HG ARG 7 1HG ARG 7 -8.016 7.986 -1.902 59 1HD ARG 7 2HD ARG 7 -7.060 7.246 -4.586 60 2HD ARG 7 1HD ARG 7 -7.052 5.914 -3.431 61 HE ARG 7 HE ARG 7 -9.368 5.870 -3.855 62 1HH1 ARG 7 2HH1 ARG 7 -9.262 8.261 -5.725 63 2HH1 ARG 7 1HH1 ARG 7 -10.344 9.360 -4.935 64 1HH2 ARG 7 1HH2 ARG 7 -10.305 7.644 -1.921 65 2HH2 ARG 7 2HH2 ARG 7 -10.934 9.010 -2.780 66 H THR 8 H THR 8 -7.308 9.884 -0.405 67 HA THR 8 HA THR 8 -7.496 12.408 0.731 68 HB THR 8 HB THR 8 -5.476 11.584 2.190 69 HG1 THR 8 HG1 THR 8 -6.175 9.150 0.960 70 1HG2 THR 8 1HG2 THR 8 -8.134 11.314 2.416 71 2HG2 THR 8 2HG2 THR 8 -7.016 10.557 3.551 72 3HG2 THR 8 3HG2 THR 8 -7.707 9.612 2.232 73 H ALA 9 H ALA 9 -4.272 11.110 -0.106 74 HA ALA 9 HA ALA 9 -3.432 13.897 -0.724 75 1HB ALA 9 1HB ALA 9 -1.138 13.030 -0.526 76 2HB ALA 9 2HB ALA 9 -1.768 11.397 -0.306 77 3HB ALA 9 3HB ALA 9 -2.076 12.632 0.913 78 H ILE 10 H ILE 10 -1.308 13.415 -2.425 79 HA ILE 10 HA ILE 10 -2.757 12.628 -4.888 80 HB ILE 10 HB ILE 10 -0.174 14.131 -4.415 81 1HG1 ILE 10 2HG1 ILE 10 -2.482 15.200 -5.968 82 2HG1 ILE 10 1HG1 ILE 10 -2.704 15.043 -4.225 83 1HG2 ILE 10 1HG2 ILE 10 -1.406 13.011 -6.921 84 2HG2 ILE 10 2HG2 ILE 10 0.287 13.023 -6.428 85 3HG2 ILE 10 3HG2 ILE 10 -0.478 14.508 -6.991 86 1HD1 ILE 10 1HD1 ILE 10 -0.711 16.386 -3.809 87 2HD1 ILE 10 2HD1 ILE 10 -1.790 17.274 -4.886 88 3HD1 ILE 10 3HD1 ILE 10 -0.366 16.462 -5.537 89 H ASN 11 H ASN 11 0.694 12.311 -4.021 90 HA ASN 11 HA ASN 11 2.063 10.378 -4.012 91 1HB ASN 11 2HB ASN 11 -0.119 9.203 -3.230 92 2HB ASN 11 1HB ASN 11 -0.298 8.734 -4.917 93 1HD2 ASN 11 1HD2 ASN 11 2.690 8.999 -2.919 94 2HD2 ASN 11 2HD2 ASN 11 3.161 7.384 -3.146 95 H LYS 12 H LYS 12 2.767 8.684 -5.752 96 HA LYS 12 HA LYS 12 3.365 9.914 -8.162 97 1HB LYS 12 2HB LYS 12 2.750 6.959 -7.814 98 2HB LYS 12 1HB LYS 12 3.752 7.676 -9.078 99 1HG LYS 12 2HG LYS 12 5.535 7.575 -7.713 100 2HG LYS 12 1HG LYS 12 4.716 8.641 -6.576 101 1HD LYS 12 2HD LYS 12 3.510 6.563 -5.710 102 2HD LYS 12 1HD LYS 12 4.660 5.619 -6.659 103 1HE LYS 12 2HE LYS 12 6.512 6.887 -5.471 104 2HE LYS 12 1HE LYS 12 5.274 7.522 -4.388 105 1HZ LYS 12 1HZ LYS 12 6.455 4.906 -4.485 106 2HZ LYS 12 2HZ LYS 12 4.758 4.864 -4.435 107 3HZ LYS 12 3HZ LYS 12 5.626 5.672 -3.220 108 H THR 13 H THR 13 1.619 11.085 -9.056 109 HA THR 13 HA THR 13 -1.041 10.228 -9.371 110 HB THR 13 HB THR 13 0.050 11.820 -11.613 111 HG1 THR 13 HG1 THR 13 1.408 12.671 -10.175 112 1HG2 THR 13 1HG2 THR 13 -1.804 13.255 -10.057 113 2HG2 THR 13 2HG2 THR 13 -2.342 11.576 -9.996 114 3HG2 THR 13 3HG2 THR 13 -2.129 12.377 -11.552 115 H LYS 14 H LYS 14 -2.159 9.590 -11.406 116 HA LYS 14 HA LYS 14 -1.297 7.168 -12.470 117 1HB LYS 14 2HB LYS 14 -2.696 8.012 -14.581 118 2HB LYS 14 1HB LYS 14 -3.491 7.601 -13.062 119 1HG LYS 14 2HG LYS 14 -3.669 9.891 -12.417 120 2HG LYS 14 1HG LYS 14 -2.546 10.407 -13.675 121 1HD LYS 14 2HD LYS 14 -4.691 8.959 -14.907 122 2HD LYS 14 1HD LYS 14 -5.380 10.189 -13.846 123 1HE LYS 14 2HE LYS 14 -3.094 11.179 -15.382 124 2HE LYS 14 1HE LYS 14 -4.417 10.628 -16.410 125 1HZ LYS 14 1HZ LYS 14 -5.565 12.035 -14.317 126 2HZ LYS 14 2HZ LYS 14 -5.456 12.509 -15.945 127 3HZ LYS 14 3HZ LYS 14 -4.251 12.971 -14.841 128 H LYS 15 H LYS 15 -0.694 10.433 -13.785 129 HA LYS 15 HA LYS 15 0.842 9.517 -16.042 130 1HB LYS 15 2HB LYS 15 -0.031 11.790 -16.015 131 2HB LYS 15 1HB LYS 15 0.861 12.155 -14.538 132 1HG LYS 15 2HG LYS 15 2.558 12.861 -15.842 133 2HG LYS 15 1HG LYS 15 2.793 11.180 -16.323 134 1HD LYS 15 2HD LYS 15 0.584 12.559 -17.717 135 2HD LYS 15 1HD LYS 15 2.191 13.200 -18.065 136 1HE LYS 15 2HE LYS 15 2.941 11.197 -18.985 137 2HE LYS 15 1HE LYS 15 1.769 10.231 -18.091 138 1HZ LYS 15 1HZ LYS 15 0.222 10.515 -19.657 139 2HZ LYS 15 2HZ LYS 15 1.514 10.958 -20.668 140 3HZ LYS 15 3HZ LYS 15 0.593 12.153 -19.888 141 H ALA 16 H ALA 16 1.630 10.399 -12.710 142 HA ALA 16 HA ALA 16 4.488 9.808 -13.160 143 1HB ALA 16 1HB ALA 16 2.974 10.689 -10.684 144 2HB ALA 16 2HB ALA 16 3.964 11.713 -11.724 145 3HB ALA 16 3HB ALA 16 4.720 10.447 -10.755 146 H ASP 17 H ASP 17 2.027 7.869 -13.067 147 HA ASP 17 HA ASP 17 2.681 6.083 -10.841 148 1HB ASP 17 2HB ASP 17 0.440 6.454 -12.331 149 2HB ASP 17 1HB ASP 17 1.134 5.058 -13.156 150 H VAL 18 H VAL 18 3.499 6.397 -14.237 151 HA VAL 18 HA VAL 18 5.036 3.856 -14.083 152 HB VAL 18 HB VAL 18 5.218 4.580 -16.681 153 1HG1 VAL 18 1HG1 VAL 18 3.528 2.821 -15.074 154 2HG1 VAL 18 2HG1 VAL 18 4.351 2.494 -16.599 155 3HG1 VAL 18 3HG1 VAL 18 2.768 3.273 -16.600 156 1HG2 VAL 18 1HG2 VAL 18 3.727 6.602 -16.075 157 2HG2 VAL 18 2HG2 VAL 18 2.418 5.427 -15.947 158 3HG2 VAL 18 3HG2 VAL 18 3.261 5.645 -17.480 159 H LYS 19 H LYS 19 5.329 7.318 -14.322 160 HA LYS 19 HA LYS 19 8.166 7.108 -15.130 161 1HB LYS 19 2HB LYS 19 8.150 9.443 -15.436 162 2HB LYS 19 1HB LYS 19 6.525 8.960 -15.915 163 1HG LYS 19 2HG LYS 19 5.735 10.435 -14.410 164 2HG LYS 19 1HG LYS 19 6.373 9.390 -13.143 165 1HD LYS 19 2HD LYS 19 8.545 10.557 -13.271 166 2HD LYS 19 1HD LYS 19 7.901 11.607 -14.533 167 1HE LYS 19 2HE LYS 19 6.321 12.596 -13.033 168 2HE LYS 19 1HE LYS 19 6.624 11.371 -11.800 169 1HZ LYS 19 1HZ LYS 19 7.780 13.385 -11.243 170 2HZ LYS 19 2HZ LYS 19 8.544 13.424 -12.761 171 3HZ LYS 19 3HZ LYS 19 8.916 12.194 -11.650 172 H ALA 20 H ALA 20 6.228 7.582 -12.266 173 HA ALA 20 HA ALA 20 8.453 8.487 -10.590 174 1HB ALA 20 1HB ALA 20 6.920 8.247 -8.755 175 2HB ALA 20 2HB ALA 20 5.856 7.208 -9.703 176 3HB ALA 20 3HB ALA 20 6.001 8.919 -10.101 177 H ILE 21 H ILE 21 6.828 5.410 -11.294 178 HA ILE 21 HA ILE 21 8.226 3.796 -9.405 179 HB ILE 21 HB ILE 21 7.159 3.139 -12.173 180 1HG1 ILE 21 2HG1 ILE 21 5.182 2.546 -11.171 181 2HG1 ILE 21 1HG1 ILE 21 5.972 1.995 -9.701 182 1HG2 ILE 21 1HG2 ILE 21 7.382 0.866 -10.445 183 2HG2 ILE 21 2HG2 ILE 21 8.954 1.636 -10.571 184 3HG2 ILE 21 3HG2 ILE 21 8.114 1.114 -12.028 185 1HD1 ILE 21 1HD1 ILE 21 5.291 4.839 -10.482 186 2HD1 ILE 21 2HD1 ILE 21 6.376 4.454 -9.146 187 3HD1 ILE 21 3HD1 ILE 21 4.696 3.927 -9.098 188 H ALA 22 H ALA 22 9.338 5.476 -12.196 189 HA ALA 22 HA ALA 22 11.750 3.762 -12.412 190 1HB ALA 22 1HB ALA 22 11.540 6.210 -14.062 191 2HB ALA 22 2HB ALA 22 10.285 5.003 -14.339 192 3HB ALA 22 3HB ALA 22 11.982 4.569 -14.533 193 H ASP 23 H ASP 23 11.007 7.243 -11.968 194 HA ASP 23 HA ASP 23 13.762 7.671 -10.966 195 1HB ASP 23 2HB ASP 23 12.525 9.208 -12.625 196 2HB ASP 23 1HB ASP 23 11.609 9.767 -11.225 197 H ALA 24 H ALA 24 11.304 6.373 -9.427 198 HA ALA 24 HA ALA 24 11.146 8.264 -7.155 199 1HB ALA 24 1HB ALA 24 9.044 7.320 -7.829 200 2HB ALA 24 2HB ALA 24 9.466 6.648 -6.254 201 3HB ALA 24 3HB ALA 24 9.693 5.684 -7.713 202 H TRP 25 H TRP 25 12.034 4.824 -7.581 203 HA TRP 25 HA TRP 25 13.132 4.941 -4.834 204 1HB TRP 25 2HB TRP 25 13.334 2.334 -6.101 205 2HB TRP 25 1HB TRP 25 12.513 2.804 -4.628 206 HD1 TRP 25 HD1 TRP 25 10.326 4.787 -6.042 207 HE1 TRP 25 HE1 TRP 25 8.441 3.732 -7.400 208 HE3 TRP 25 HE3 TRP 25 12.312 0.160 -6.947 209 HZ2 TRP 25 HZ2 TRP 25 7.840 1.277 -8.691 210 HZ3 TRP 25 HZ3 TRP 25 11.027 -1.486 -8.253 211 HH2 TRP 25 HH2 TRP 25 8.811 -0.923 -9.130 212 H GLN 26 H GLN 26 14.960 2.575 -5.602 213 HA GLN 26 HA GLN 26 17.344 4.112 -5.912 214 1HB GLN 26 2HB GLN 26 17.341 1.887 -4.878 215 2HB GLN 26 1HB GLN 26 16.874 1.160 -6.416 216 1HG GLN 26 2HG GLN 26 19.112 0.908 -6.732 217 2HG GLN 26 1HG GLN 26 19.072 2.620 -7.155 218 1HE2 GLN 26 1HE2 GLN 26 19.616 4.187 -5.396 219 2HE2 GLN 26 2HE2 GLN 26 20.575 3.684 -4.089 220 H ILE 27 H ILE 27 16.809 5.415 -7.847 221 HA ILE 27 HA ILE 27 17.234 3.893 -10.377 222 HB ILE 27 HB ILE 27 15.345 4.880 -11.112 223 1HG1 ILE 27 2HG1 ILE 27 17.200 6.594 -11.857 224 2HG1 ILE 27 1HG1 ILE 27 15.502 7.023 -12.038 225 1HG2 ILE 27 1HG2 ILE 27 14.028 6.389 -9.738 226 2HG2 ILE 27 2HG2 ILE 27 15.438 6.792 -8.779 227 3HG2 ILE 27 3HG2 ILE 27 14.759 5.175 -8.698 228 1HD1 ILE 27 1HD1 ILE 27 15.533 8.432 -10.138 229 2HD1 ILE 27 2HD1 ILE 27 17.058 8.780 -10.950 230 3HD1 ILE 27 3HD1 ILE 27 17.031 7.731 -9.533 231 H ASN 28 H ASN 28 18.208 6.544 -8.336 232 HA ASN 28 HA ASN 28 20.719 6.774 -9.864 233 1HB ASN 28 2HB ASN 28 19.148 8.484 -10.846 234 2HB ASN 28 1HB ASN 28 19.047 9.227 -9.248 235 1HD2 ASN 28 1HD2 ASN 28 20.510 10.908 -8.968 236 2HD2 ASN 28 2HD2 ASN 28 22.023 11.026 -9.724 237 H GLY 29 H GLY 29 18.843 8.310 -7.247 238 1HA GLY 29 2HA GLY 29 19.739 7.785 -4.911 239 2HA GLY 29 1HA GLY 29 21.313 8.216 -5.581 240 H GLU 30 H GLU 30 20.228 10.348 -7.247 241 HA GLU 30 HA GLU 30 19.750 12.363 -5.104 242 1HB GLU 30 2HB GLU 30 21.836 12.762 -6.285 243 2HB GLU 30 1HB GLU 30 21.016 12.641 -7.843 244 1HG GLU 30 2HG GLU 30 19.749 14.647 -7.415 245 2HG GLU 30 1HG GLU 30 20.316 14.711 -5.746 246 H LYS 31 H LYS 31 18.584 11.040 -8.114 247 HA LYS 31 HA LYS 31 16.547 13.164 -8.404 248 1HB LYS 31 2HB LYS 31 17.366 10.756 -10.022 249 2HB LYS 31 1HB LYS 31 15.824 11.555 -10.329 250 1HG LYS 31 2HG LYS 31 17.010 12.947 -11.669 251 2HG LYS 31 1HG LYS 31 17.572 13.686 -10.169 252 1HD LYS 31 2HD LYS 31 19.410 11.889 -10.166 253 2HD LYS 31 1HD LYS 31 18.948 11.579 -11.840 254 1HE LYS 31 2HE LYS 31 19.685 14.326 -10.798 255 2HE LYS 31 1HE LYS 31 20.840 13.237 -11.568 256 1HZ LYS 31 1HZ LYS 31 18.394 13.556 -13.044 257 2HZ LYS 31 2HZ LYS 31 20.004 13.657 -13.576 258 3HZ LYS 31 3HZ LYS 31 19.256 15.005 -12.863 259 H GLU 32 H GLU 32 16.824 9.811 -7.350 260 HA GLU 32 HA GLU 32 13.970 9.349 -7.189 261 1HB GLU 32 2HB GLU 32 14.684 7.499 -5.579 262 2HB GLU 32 1HB GLU 32 15.346 7.409 -7.203 263 1HG GLU 32 2HG GLU 32 17.401 7.351 -6.282 264 2HG GLU 32 1HG GLU 32 17.150 9.017 -5.769 265 H LEU 33 H LEU 33 16.417 10.449 -4.853 266 HA LEU 33 HA LEU 33 14.754 10.548 -2.569 267 1HB LEU 33 2HB LEU 33 16.363 12.043 -1.635 268 2HB LEU 33 1HB LEU 33 17.276 11.000 -2.724 269 HG LEU 33 HG LEU 33 16.747 12.866 -4.500 270 1HD1 LEU 33 1HD1 LEU 33 17.019 14.928 -2.520 271 2HD1 LEU 33 2HD1 LEU 33 15.593 13.961 -2.138 272 3HD1 LEU 33 3HD1 LEU 33 15.744 14.724 -3.721 273 1HD2 LEU 33 1HD2 LEU 33 18.967 12.181 -3.266 274 2HD2 LEU 33 2HD2 LEU 33 18.711 13.679 -2.369 275 3HD2 LEU 33 3HD2 LEU 33 18.896 13.721 -4.122 276 H GLU 34 H GLU 34 14.868 12.561 -5.412 277 HA GLU 34 HA GLU 34 13.505 14.843 -4.368 278 1HB GLU 34 2HB GLU 34 14.804 14.534 -6.600 279 2HB GLU 34 1HB GLU 34 13.271 13.915 -7.220 280 1HG GLU 34 2HG GLU 34 12.144 15.950 -6.780 281 2HG GLU 34 1HG GLU 34 13.442 16.513 -5.728 282 H LEU 35 H LEU 35 12.222 12.179 -6.442 283 HA LEU 35 HA LEU 35 9.559 12.892 -6.406 284 1HB LEU 35 2HB LEU 35 10.618 10.811 -7.499 285 2HB LEU 35 1HB LEU 35 10.390 10.019 -5.943 286 HG LEU 35 HG LEU 35 8.512 9.950 -7.890 287 1HD1 LEU 35 1HD1 LEU 35 6.872 9.429 -6.133 288 2HD1 LEU 35 2HD1 LEU 35 7.899 10.206 -4.929 289 3HD1 LEU 35 3HD1 LEU 35 8.441 8.732 -5.730 290 1HD2 LEU 35 1HD2 LEU 35 6.723 11.569 -7.332 291 2HD2 LEU 35 2HD2 LEU 35 8.177 12.396 -7.889 292 3HD2 LEU 35 3HD2 LEU 35 7.797 12.345 -6.170 293 H LEU 36 H LEU 36 11.032 10.700 -3.979 294 HA LEU 36 HA LEU 36 8.763 10.737 -2.276 295 1HB LEU 36 2HB LEU 36 10.907 9.198 -2.290 296 2HB LEU 36 1HB LEU 36 11.535 10.412 -1.171 297 HG LEU 36 HG LEU 36 10.354 8.525 -0.015 298 1HD1 LEU 36 1HD1 LEU 36 9.546 9.974 1.590 299 2HD1 LEU 36 2HD1 LEU 36 8.619 10.905 0.421 300 3HD1 LEU 36 3HD1 LEU 36 10.348 11.170 0.573 301 1HD2 LEU 36 1HD2 LEU 36 8.107 8.066 -0.432 302 2HD2 LEU 36 2HD2 LEU 36 8.638 8.544 -2.044 303 3HD2 LEU 36 3HD2 LEU 36 7.782 9.696 -1.021 304 H GLN 37 H GLN 37 11.422 12.964 -2.691 305 HA GLN 37 HA GLN 37 11.353 14.326 -0.235 306 1HB GLN 37 2HB GLN 37 12.813 14.774 -2.351 307 2HB GLN 37 1HB GLN 37 11.491 15.828 -2.850 308 1HG GLN 37 2HG GLN 37 11.898 17.361 -1.185 309 2HG GLN 37 1HG GLN 37 12.493 16.139 -0.060 310 1HE2 GLN 37 1HE2 GLN 37 13.667 16.449 -3.403 311 2HE2 GLN 37 2HE2 GLN 37 15.238 16.937 -2.987 312 H GLN 38 H GLN 38 8.918 14.052 -2.648 313 HA GLN 38 HA GLN 38 7.188 15.836 -1.039 314 1HB GLN 38 2HB GLN 38 8.290 16.706 -3.422 315 2HB GLN 38 1HB GLN 38 6.723 16.075 -3.929 316 1HG GLN 38 2HG GLN 38 5.536 17.543 -2.515 317 2HG GLN 38 1HG GLN 38 6.962 17.895 -1.538 318 1HE2 GLN 38 1HE2 GLN 38 8.880 18.816 -3.093 319 2HE2 GLN 38 2HE2 GLN 38 8.376 20.057 -4.135 320 H ILE 39 H ILE 39 7.551 12.805 -1.801 321 HA ILE 39 HA ILE 39 4.745 12.467 -2.690 322 HB ILE 39 HB ILE 39 7.146 10.824 -3.350 323 1HG1 ILE 39 2HG1 ILE 39 6.554 12.635 -4.882 324 2HG1 ILE 39 1HG1 ILE 39 6.144 11.093 -5.627 325 1HG2 ILE 39 1HG2 ILE 39 5.767 9.034 -2.886 326 2HG2 ILE 39 2HG2 ILE 39 5.135 9.431 -4.484 327 3HG2 ILE 39 3HG2 ILE 39 4.298 9.998 -3.038 328 1HD1 ILE 39 1HD1 ILE 39 3.862 11.855 -4.163 329 2HD1 ILE 39 2HD1 ILE 39 4.054 11.847 -5.914 330 3HD1 ILE 39 3HD1 ILE 39 4.413 13.308 -4.998 331 H ALA 40 H ALA 40 7.110 11.423 -0.276 332 HA ALA 40 HA ALA 40 5.312 9.300 0.713 333 1HB ALA 40 1HB ALA 40 7.744 10.543 2.034 334 2HB ALA 40 2HB ALA 40 7.730 9.049 1.101 335 3HB ALA 40 3HB ALA 40 6.870 9.137 2.631 336 H GLN 41 H GLN 41 5.412 12.609 0.888 337 HA GLN 41 HA GLN 41 4.078 12.674 3.533 338 1HB GLN 41 2HB GLN 41 4.900 15.068 1.926 339 2HB GLN 41 1HB GLN 41 4.723 14.938 3.677 340 1HG GLN 41 2HG GLN 41 6.738 13.726 3.915 341 2HG GLN 41 1HG GLN 41 6.757 13.246 2.228 342 1HE2 GLN 41 1HE2 GLN 41 8.686 14.151 1.517 343 2HE2 GLN 41 2HE2 GLN 41 9.047 15.800 1.608 344 H LYS 42 H LYS 42 3.488 12.745 0.216 345 HA LYS 42 HA LYS 42 0.688 13.576 0.796 346 1HB LYS 42 2HB LYS 42 0.707 14.668 -1.536 347 2HB LYS 42 1HB LYS 42 1.509 15.537 -0.228 348 1HG LYS 42 2HG LYS 42 3.250 15.635 -1.693 349 2HG LYS 42 1HG LYS 42 3.562 13.989 -1.145 350 1HD LYS 42 2HD LYS 42 3.505 13.743 -3.472 351 2HD LYS 42 1HD LYS 42 1.864 13.310 -3.006 352 1HE LYS 42 2HE LYS 42 0.996 15.411 -3.678 353 2HE LYS 42 1HE LYS 42 2.598 16.145 -3.733 354 1HZ LYS 42 1HZ LYS 42 1.638 15.558 -5.939 355 2HZ LYS 42 2HZ LYS 42 1.757 13.920 -5.504 356 3HZ LYS 42 3HZ LYS 42 3.158 14.871 -5.634 357 HA PRO 43 HA PRO 43 1.228 9.846 -2.128 358 1HB PRO 43 2HB PRO 43 1.138 7.761 -0.342 359 2HB PRO 43 1HB PRO 43 2.647 8.458 -0.961 360 1HG PRO 43 2HG PRO 43 1.352 8.838 1.712 361 2HG PRO 43 1HG PRO 43 3.071 8.846 1.278 362 1HD PRO 43 2HD PRO 43 1.566 11.158 1.750 363 2HD PRO 43 1HD PRO 43 3.073 11.083 0.818 364 H GLY 44 H GLY 44 -0.306 8.393 0.670 365 1HA GLY 44 2HA GLY 44 -2.577 7.966 1.137 366 2HA GLY 44 1HA GLY 44 -2.982 9.357 0.123 367 H ALA 45 H ALA 45 -0.932 6.882 -1.140 368 HA ALA 45 HA ALA 45 -3.036 5.318 -2.394 369 1HB ALA 45 1HB ALA 45 -2.231 7.738 -3.670 370 2HB ALA 45 2HB ALA 45 -3.334 6.503 -4.277 371 3HB ALA 45 3HB ALA 45 -1.609 6.393 -4.627 372 H LEU 46 H LEU 46 0.390 6.174 -2.113 373 HA LEU 46 HA LEU 46 1.674 4.319 -3.701 374 1HB LEU 46 2HB LEU 46 3.059 5.675 -2.353 375 2HB LEU 46 1HB LEU 46 2.212 5.232 -0.878 376 HG LEU 46 HG LEU 46 4.585 4.229 -1.372 377 1HD1 LEU 46 1HD1 LEU 46 2.159 2.963 -0.205 378 2HD1 LEU 46 2HD1 LEU 46 3.685 3.400 0.557 379 3HD1 LEU 46 3HD1 LEU 46 3.576 1.939 -0.420 380 1HD2 LEU 46 1HD2 LEU 46 4.797 2.769 -3.069 381 2HD2 LEU 46 2HD2 LEU 46 3.157 3.164 -3.578 382 3HD2 LEU 46 3HD2 LEU 46 3.439 1.819 -2.474 383 H ARG 47 H ARG 47 -0.116 3.669 -0.712 384 HA ARG 47 HA ARG 47 0.598 1.032 -0.185 385 1HB ARG 47 2HB ARG 47 -1.769 2.695 0.272 386 2HB ARG 47 1HB ARG 47 -2.144 0.974 0.164 387 1HG ARG 47 2HG ARG 47 -0.110 0.661 1.754 388 2HG ARG 47 1HG ARG 47 -0.308 2.381 2.094 389 1HD ARG 47 2HD ARG 47 -1.926 1.842 3.563 390 2HD ARG 47 1HD ARG 47 -2.901 1.276 2.208 391 HE ARG 47 HE ARG 47 -1.992 -0.987 2.604 392 1HH1 ARG 47 2HH1 ARG 47 0.209 -1.425 3.968 393 2HH1 ARG 47 1HH1 ARG 47 -0.113 -1.282 5.664 394 1HH2 ARG 47 2HH2 ARG 47 -1.982 -0.229 6.375 395 2HH2 ARG 47 1HH2 ARG 47 -3.091 0.438 5.223 396 H ILE 48 H ILE 48 -1.978 2.025 -2.496 397 HA ILE 48 HA ILE 48 -2.686 -0.566 -3.357 398 HB ILE 48 HB ILE 48 -2.536 1.934 -5.077 399 1HG1 ILE 48 2HG1 ILE 48 -4.766 0.848 -3.324 400 2HG1 ILE 48 1HG1 ILE 48 -3.823 2.303 -3.004 401 1HG2 ILE 48 1HG2 ILE 48 -4.120 -0.641 -5.304 402 2HG2 ILE 48 2HG2 ILE 48 -2.875 -0.069 -6.412 403 3HG2 ILE 48 3HG2 ILE 48 -4.410 0.791 -6.292 404 1HD1 ILE 48 1HD1 ILE 48 -4.807 3.490 -4.753 405 2HD1 ILE 48 2HD1 ILE 48 -6.160 2.504 -4.198 406 3HD1 ILE 48 3HD1 ILE 48 -5.250 2.027 -5.631 407 H LEU 49 H LEU 49 -0.395 1.602 -5.102 408 HA LEU 49 HA LEU 49 0.643 -0.664 -6.620 409 1HB LEU 49 2HB LEU 49 2.263 1.839 -6.372 410 2HB LEU 49 1HB LEU 49 1.890 0.888 -7.806 411 HG LEU 49 HG LEU 49 -0.595 1.864 -6.940 412 1HD1 LEU 49 1HD1 LEU 49 -0.266 3.851 -5.930 413 2HD1 LEU 49 2HD1 LEU 49 0.736 4.388 -7.280 414 3HD1 LEU 49 3HD1 LEU 49 1.469 3.535 -5.922 415 1HD2 LEU 49 1HD2 LEU 49 1.336 2.748 -9.103 416 2HD2 LEU 49 2HD2 LEU 49 -0.335 3.306 -9.009 417 3HD2 LEU 49 3HD2 LEU 49 0.011 1.594 -9.262 418 H ASN 50 H ASN 50 0.981 0.180 -3.448 419 HA ASN 50 HA ASN 50 3.819 -0.173 -3.042 420 1HB ASN 50 2HB ASN 50 2.337 0.895 -1.333 421 2HB ASN 50 1HB ASN 50 1.550 -0.658 -1.084 422 1HD2 ASN 50 1HD2 ASN 50 5.051 -0.224 -1.656 423 2HD2 ASN 50 2HD2 ASN 50 5.530 -0.781 -0.126 424 H HIS 51 H HIS 51 1.065 -2.288 -3.384 425 HA HIS 51 HA HIS 51 1.874 -4.669 -2.226 426 1HB HIS 51 2HB HIS 51 -0.194 -4.491 -3.548 427 2HB HIS 51 1HB HIS 51 0.745 -4.285 -5.026 428 HD1 HIS 51 HD1 HIS 51 0.568 -6.850 -2.191 429 HD2 HIS 51 HD2 HIS 51 1.098 -6.702 -6.326 430 HE1 HIS 51 HE1 HIS 51 0.773 -9.250 -2.975 431 H SER 52 H SER 52 3.273 -2.987 -4.964 432 HA SER 52 HA SER 52 5.476 -4.978 -4.950 433 1HB SER 52 2HB SER 52 4.950 -3.600 -7.493 434 2HB SER 52 1HB SER 52 5.319 -5.294 -7.181 435 HG SER 52 HG SER 52 2.941 -4.094 -7.584 436 H LEU 53 H LEU 53 4.556 -1.753 -4.491 437 HA LEU 53 HA LEU 53 7.064 -0.622 -5.530 438 1HB LEU 53 2HB LEU 53 4.525 0.487 -4.765 439 2HB LEU 53 1HB LEU 53 5.783 1.257 -3.810 440 HG LEU 53 HG LEU 53 6.919 2.056 -5.713 441 1HD1 LEU 53 1HD1 LEU 53 6.079 1.221 -8.042 442 2HD1 LEU 53 2HD1 LEU 53 5.419 -0.126 -7.120 443 3HD1 LEU 53 3HD1 LEU 53 7.146 0.184 -7.102 444 1HD2 LEU 53 1HD2 LEU 53 5.315 3.566 -6.170 445 2HD2 LEU 53 2HD2 LEU 53 4.091 2.461 -5.543 446 3HD2 LEU 53 3HD2 LEU 53 4.538 2.407 -7.248 447 H ARG 54 H ARG 54 5.982 -2.117 -2.702 448 HA ARG 54 HA ARG 54 7.511 -0.836 -0.691 449 1HB ARG 54 2HB ARG 54 5.978 -2.644 -0.112 450 2HB ARG 54 1HB ARG 54 6.889 -3.784 -1.100 451 1HG ARG 54 2HG ARG 54 7.503 -4.103 1.233 452 2HG ARG 54 1HG ARG 54 8.876 -3.408 0.372 453 1HD ARG 54 2HD ARG 54 7.983 -1.119 1.138 454 2HD ARG 54 1HD ARG 54 6.957 -2.023 2.253 455 HE ARG 54 HE ARG 54 9.609 -2.970 2.584 456 1HH1 ARG 54 2HH1 ARG 54 11.197 -1.061 3.044 457 2HH1 ARG 54 1HH1 ARG 54 10.640 -0.038 4.325 458 1HH2 ARG 54 2HH2 ARG 54 8.487 -0.139 4.996 459 2HH2 ARG 54 1HH2 ARG 54 7.389 -1.238 4.231 460 H LEU 55 H LEU 55 8.430 -2.653 -3.481 461 HA LEU 55 HA LEU 55 11.032 -3.553 -2.709 462 1HB LEU 55 2HB LEU 55 9.454 -3.361 -5.136 463 2HB LEU 55 1HB LEU 55 11.121 -2.875 -5.444 464 HG LEU 55 HG LEU 55 10.646 -5.369 -5.682 465 1HD1 LEU 55 1HD1 LEU 55 12.669 -5.740 -3.858 466 2HD1 LEU 55 2HD1 LEU 55 12.783 -4.010 -4.179 467 3HD1 LEU 55 3HD1 LEU 55 12.900 -5.163 -5.508 468 1HD2 LEU 55 1HD2 LEU 55 9.923 -6.598 -3.901 469 2HD2 LEU 55 2HD2 LEU 55 9.351 -5.048 -3.285 470 3HD2 LEU 55 3HD2 LEU 55 10.906 -5.688 -2.755 471 H ALA 56 H ALA 56 9.854 -0.535 -4.117 472 HA ALA 56 HA ALA 56 11.943 0.930 -4.927 473 1HB ALA 56 1HB ALA 56 9.924 2.115 -4.632 474 2HB ALA 56 2HB ALA 56 11.030 2.874 -3.486 475 3HB ALA 56 3HB ALA 56 9.835 1.709 -2.918 476 H ALA 57 H ALA 57 11.448 -0.034 -1.553 477 HA ALA 57 HA ALA 57 14.082 1.158 -0.835 478 1HB ALA 57 1HB ALA 57 13.176 0.235 1.515 479 2HB ALA 57 2HB ALA 57 11.628 0.389 0.682 480 3HB ALA 57 3HB ALA 57 12.672 1.798 0.875 481 H MET 58 H MET 58 12.322 -1.897 -1.049 482 HA MET 58 HA MET 58 14.257 -3.561 0.245 483 1HB MET 58 2HB MET 58 11.786 -3.941 -0.955 484 2HB MET 58 1HB MET 58 12.889 -4.817 -2.018 485 1HG MET 58 2HG MET 58 13.598 -6.256 -0.310 486 2HG MET 58 1HG MET 58 13.102 -5.143 0.965 487 1HE MET 58 1HE MET 58 11.093 -8.746 -0.290 488 2HE MET 58 2HE MET 58 12.765 -8.194 -0.283 489 3HE MET 58 3HE MET 58 11.750 -7.887 -1.690 490 H THR 59 H THR 59 16.353 -3.017 -0.448 491 HA THR 59 HA THR 59 16.943 -3.264 -3.346 492 HB THR 59 HB THR 59 17.872 -1.366 -1.905 493 HG1 THR 59 HG1 THR 59 18.868 -1.731 -3.818 494 1HG2 THR 59 1HG2 THR 59 18.602 -3.495 -0.253 495 2HG2 THR 59 2HG2 THR 59 19.140 -1.822 -0.095 496 3HG2 THR 59 3HG2 THR 59 20.118 -2.982 -0.995 497 H ALA 60 H ALA 60 16.304 -5.498 -1.324 498 HA ALA 60 HA ALA 60 18.636 -7.200 -2.074 499 1HB ALA 60 1HB ALA 60 18.959 -7.985 0.070 500 2HB ALA 60 2HB ALA 60 17.278 -7.721 0.533 501 3HB ALA 60 3HB ALA 60 18.395 -6.359 0.457 502 H HIS 61 H HIS 61 15.676 -6.757 -2.918 503 HA HIS 61 HA HIS 61 13.875 -8.708 -2.346 504 1HB HIS 61 2HB HIS 61 13.889 -7.081 -4.351 505 2HB HIS 61 1HB HIS 61 14.708 -8.372 -5.226 506 HD1 HIS 61 HD1 HIS 61 12.832 -10.383 -3.207 507 HD2 HIS 61 HD2 HIS 61 11.674 -7.763 -6.238 508 HE1 HIS 61 HE1 HIS 61 10.551 -11.153 -3.991 509 H GLY 62 H GLY 62 16.188 -9.475 -4.963 510 1HA GLY 62 2HA GLY 62 17.605 -11.421 -5.056 511 2HA GLY 62 1HA GLY 62 16.723 -12.095 -3.683 512 H LYS 63 H LYS 63 14.205 -11.125 -5.237 513 HA LYS 63 HA LYS 63 13.890 -13.663 -6.737 514 1HB LYS 63 2HB LYS 63 12.205 -12.710 -4.997 515 2HB LYS 63 1HB LYS 63 11.733 -11.606 -6.289 516 1HG LYS 63 2HG LYS 63 10.296 -13.311 -6.819 517 2HG LYS 63 1HG LYS 63 11.713 -13.936 -7.662 518 1HD LYS 63 2HD LYS 63 11.533 -14.600 -4.776 519 2HD LYS 63 1HD LYS 63 10.337 -15.371 -5.819 520 1HE LYS 63 2HE LYS 63 11.893 -16.829 -6.527 521 2HE LYS 63 1HE LYS 63 12.858 -15.492 -7.153 522 1HZ LYS 63 1HZ LYS 63 13.361 -17.116 -4.917 523 2HZ LYS 63 2HZ LYS 63 13.150 -15.517 -4.384 524 3HZ LYS 63 3HZ LYS 63 14.323 -15.876 -5.560 525 H GLY 64 H GLY 64 13.905 -10.166 -7.191 526 1HA GLY 64 2HA GLY 64 14.607 -10.370 -9.961 527 2HA GLY 64 1HA GLY 64 12.879 -10.028 -9.829 528 H GLU 65 H GLU 65 16.020 -8.666 -9.705 529 HA GLU 65 HA GLU 65 14.885 -5.986 -9.454 530 1HB GLU 65 2HB GLU 65 16.573 -5.514 -7.505 531 2HB GLU 65 1HB GLU 65 15.013 -6.250 -7.127 532 1HG GLU 65 2HG GLU 65 15.938 -8.288 -6.632 533 2HG GLU 65 1HG GLU 65 17.214 -8.118 -7.839 534 H ARG 66 H ARG 66 15.929 -5.253 -11.276 535 HA ARG 66 HA ARG 66 18.561 -6.049 -12.077 536 1HB ARG 66 2HB ARG 66 16.563 -4.675 -13.295 537 2HB ARG 66 1HB ARG 66 17.625 -3.337 -12.855 538 1HG ARG 66 2HG ARG 66 18.771 -3.850 -14.740 539 2HG ARG 66 1HG ARG 66 19.401 -5.218 -13.824 540 1HD ARG 66 2HD ARG 66 17.554 -6.629 -14.627 541 2HD ARG 66 1HD ARG 66 16.888 -5.263 -15.522 542 HE ARG 66 HE ARG 66 18.803 -5.388 -17.032 543 1HH1 ARG 66 2HH1 ARG 66 18.475 -7.768 -18.054 544 2HH1 ARG 66 1HH1 ARG 66 19.606 -8.877 -17.357 545 1HH2 ARG 66 2HH2 ARG 66 20.653 -8.358 -15.420 546 2HH2 ARG 66 1HH2 ARG 66 20.321 -6.851 -14.635 547 H VAL 67 H VAL 67 19.489 -3.181 -12.489 548 HA VAL 67 HA VAL 67 20.069 -2.360 -9.707 549 HB VAL 67 HB VAL 67 22.571 -2.171 -10.523 550 1HG1 VAL 67 1HG1 VAL 67 22.244 -3.505 -8.648 551 2HG1 VAL 67 2HG1 VAL 67 22.783 -4.711 -9.816 552 3HG1 VAL 67 3HG1 VAL 67 21.065 -4.536 -9.457 553 1HG2 VAL 67 1HG2 VAL 67 23.127 -3.288 -12.409 554 2HG2 VAL 67 2HG2 VAL 67 21.400 -3.400 -12.747 555 3HG2 VAL 67 3HG2 VAL 67 22.220 -4.715 -11.906 556 H ASN 68 H ASN 68 18.499 -0.791 -11.083 557 HA ASN 68 HA ASN 68 19.698 1.699 -11.288 558 1HB ASN 68 2HB ASN 68 20.436 0.022 -13.525 559 2HB ASN 68 1HB ASN 68 19.525 1.423 -14.087 560 1HD2 ASN 68 1HD2 ASN 68 21.902 1.842 -14.973 561 2HD2 ASN 68 2HD2 ASN 68 22.903 2.765 -13.959 562 H GLU 69 H GLU 69 18.427 2.963 -13.371 563 HA GLU 69 HA GLU 69 15.847 3.423 -12.547 564 1HB GLU 69 2HB GLU 69 15.330 4.184 -14.839 565 2HB GLU 69 1HB GLU 69 16.940 4.712 -14.345 566 1HG GLU 69 2HG GLU 69 17.792 2.548 -15.465 567 2HG GLU 69 1HG GLU 69 16.202 2.473 -16.228 568 H ASP 70 H ASP 70 16.890 0.753 -14.648 569 HA ASP 70 HA ASP 70 14.216 -0.153 -15.245 570 1HB ASP 70 2HB ASP 70 16.445 -2.124 -15.069 571 2HB ASP 70 1HB ASP 70 15.203 -1.937 -16.308 572 H TYR 71 H TYR 71 16.646 -1.239 -12.866 573 HA TYR 71 HA TYR 71 15.596 -3.298 -11.502 574 1HB TYR 71 2HB TYR 71 17.415 -2.250 -10.439 575 2HB TYR 71 1HB TYR 71 16.620 -0.681 -10.426 576 HD1 TYR 71 HD1 TYR 71 16.478 -0.047 -8.200 577 HD2 TYR 71 HD2 TYR 71 15.326 -4.030 -9.319 578 HE1 TYR 71 HE1 TYR 71 15.614 -0.431 -5.908 579 HE2 TYR 71 HE2 TYR 71 14.464 -4.417 -7.023 580 HH TYR 71 HH TYR 71 13.579 -2.431 -5.030 581 H LEU 72 H LEU 72 14.364 0.001 -11.045 582 HA LEU 72 HA LEU 72 12.373 -0.588 -9.216 583 1HB LEU 72 2HB LEU 72 12.003 1.376 -11.456 584 2HB LEU 72 1HB LEU 72 11.316 1.435 -9.832 585 HG LEU 72 HG LEU 72 14.189 1.838 -10.647 586 1HD1 LEU 72 1HD1 LEU 72 12.359 3.662 -10.584 587 2HD1 LEU 72 2HD1 LEU 72 13.867 3.985 -9.738 588 3HD1 LEU 72 3HD1 LEU 72 12.438 3.485 -8.833 589 1HD2 LEU 72 1HD2 LEU 72 13.167 1.690 -7.811 590 2HD2 LEU 72 2HD2 LEU 72 14.836 1.721 -8.361 591 3HD2 LEU 72 3HD2 LEU 72 13.858 0.282 -8.611 592 H ARG 73 H ARG 73 11.942 -0.374 -12.732 593 HA ARG 73 HA ARG 73 9.246 -1.468 -12.548 594 1HB ARG 73 2HB ARG 73 11.133 -1.148 -14.915 595 2HB ARG 73 1HB ARG 73 9.458 -1.685 -15.057 596 1HG ARG 73 2HG ARG 73 8.674 0.406 -14.046 597 2HG ARG 73 1HG ARG 73 10.340 0.943 -13.829 598 1HD ARG 73 2HD ARG 73 9.008 0.350 -16.489 599 2HD ARG 73 1HD ARG 73 9.356 1.956 -15.847 600 HE ARG 73 HE ARG 73 11.634 0.090 -16.217 601 1HH1 ARG 73 2HH1 ARG 73 13.151 2.130 -16.122 602 2HH1 ARG 73 1HH1 ARG 73 12.966 3.130 -17.525 603 1HH2 ARG 73 2HH2 ARG 73 11.152 2.888 -18.853 604 2HH2 ARG 73 1HH2 ARG 73 9.950 1.700 -18.470 605 H GLN 74 H GLN 74 12.319 -2.861 -12.378 606 HA GLN 74 HA GLN 74 11.321 -5.502 -13.270 607 1HB GLN 74 2HB GLN 74 13.696 -4.513 -13.851 608 2HB GLN 74 1HB GLN 74 14.100 -4.973 -12.200 609 1HG GLN 74 2HG GLN 74 14.686 -6.909 -13.345 610 2HG GLN 74 1HG GLN 74 13.021 -7.277 -12.890 611 1HE2 GLN 74 1HE2 GLN 74 11.326 -6.875 -14.593 612 2HE2 GLN 74 2HE2 GLN 74 11.761 -6.970 -16.230 613 H ALA 75 H ALA 75 11.314 -3.601 -10.625 614 HA ALA 75 HA ALA 75 11.727 -5.741 -8.616 615 1HB ALA 75 1HB ALA 75 12.512 -4.009 -7.367 616 2HB ALA 75 2HB ALA 75 10.942 -3.215 -7.485 617 3HB ALA 75 3HB ALA 75 12.179 -2.908 -8.703 618 H PHE 76 H PHE 76 9.434 -3.152 -9.384 619 HA PHE 76 HA PHE 76 7.259 -4.651 -8.059 620 1HB PHE 76 2HB PHE 76 6.363 -2.593 -7.621 621 2HB PHE 76 1HB PHE 76 7.981 -2.024 -7.969 622 HD1 PHE 76 HD1 PHE 76 4.818 -1.080 -8.473 623 HD2 PHE 76 HD2 PHE 76 8.225 -2.162 -10.840 624 HE1 PHE 76 HE1 PHE 76 3.926 0.256 -10.336 625 HE2 PHE 76 HE2 PHE 76 7.332 -0.829 -12.718 626 HZ PHE 76 HZ PHE 76 5.182 0.378 -12.484 627 H ARG 77 H ARG 77 8.388 -5.465 -10.710 628 HA ARG 77 HA ARG 77 5.809 -5.559 -12.137 629 1HB ARG 77 2HB ARG 77 7.768 -3.623 -12.779 630 2HB ARG 77 1HB ARG 77 7.841 -4.827 -14.054 631 1HG ARG 77 2HG ARG 77 5.290 -4.673 -14.174 632 2HG ARG 77 1HG ARG 77 5.424 -3.247 -13.146 633 1HD ARG 77 2HD ARG 77 6.534 -2.004 -14.784 634 2HD ARG 77 1HD ARG 77 7.094 -3.443 -15.635 635 HE ARG 77 HE ARG 77 5.081 -3.414 -16.854 636 1HH1 ARG 77 2HH1 ARG 77 4.988 -0.481 -15.691 637 2HH1 ARG 77 1HH1 ARG 77 3.316 -0.413 -15.244 638 1HH2 ARG 77 1HH2 ARG 77 2.825 -3.832 -15.526 639 2HH2 ARG 77 2HH2 ARG 77 2.091 -2.309 -15.152 640 H GLU 78 H GLU 78 9.275 -6.357 -12.206 641 HA GLU 78 HA GLU 78 9.245 -8.382 -14.131 642 1HB GLU 78 2HB GLU 78 11.339 -8.923 -13.350 643 2HB GLU 78 1HB GLU 78 11.142 -7.390 -12.512 644 1HG GLU 78 2HG GLU 78 11.768 -8.746 -10.738 645 2HG GLU 78 1HG GLU 78 10.014 -8.932 -10.664 646 H LEU 79 H LEU 79 7.753 -8.363 -11.005 647 HA LEU 79 HA LEU 79 7.391 -11.306 -11.046 648 1HB LEU 79 2HB LEU 79 6.524 -9.246 -8.997 649 2HB LEU 79 1HB LEU 79 6.384 -10.994 -8.817 650 HG LEU 79 HG LEU 79 9.022 -10.754 -9.479 651 1HD1 LEU 79 1HD1 LEU 79 8.531 -8.478 -7.561 652 2HD1 LEU 79 2HD1 LEU 79 8.607 -8.202 -9.302 653 3HD1 LEU 79 3HD1 LEU 79 10.002 -8.868 -8.452 654 1HD2 LEU 79 1HD2 LEU 79 8.008 -10.460 -6.642 655 2HD2 LEU 79 2HD2 LEU 79 9.452 -11.309 -7.192 656 3HD2 LEU 79 3HD2 LEU 79 7.855 -11.964 -7.551 657 H ASP 80 H ASP 80 5.130 -8.585 -10.343 658 HA ASP 80 HA ASP 80 3.352 -8.975 -12.464 659 1HB ASP 80 2HB ASP 80 1.620 -10.428 -11.175 660 2HB ASP 80 1HB ASP 80 2.961 -11.229 -12.002 661 H LEU 81 H LEU 81 3.236 -8.763 -8.898 662 HA LEU 81 HA LEU 81 2.382 -7.018 -7.591 663 1HB LEU 81 2HB LEU 81 1.028 -5.853 -10.014 664 2HB LEU 81 1HB LEU 81 1.541 -5.055 -8.536 665 HG LEU 81 HG LEU 81 3.155 -5.795 -10.934 666 1HD1 LEU 81 1HD1 LEU 81 2.275 -3.458 -9.849 667 2HD1 LEU 81 2HD1 LEU 81 3.698 -3.590 -10.882 668 3HD1 LEU 81 3HD1 LEU 81 3.880 -3.574 -9.127 669 1HD2 LEU 81 1HD2 LEU 81 5.074 -5.242 -9.025 670 2HD2 LEU 81 2HD2 LEU 81 4.725 -6.845 -9.659 671 3HD2 LEU 81 3HD2 LEU 81 3.988 -6.312 -8.155 672 H ASP 82 H ASP 82 1.229 -9.388 -7.553 673 HA ASP 82 HA ASP 82 -1.538 -8.766 -7.061 674 1HB ASP 82 2HB ASP 82 -2.347 -10.623 -8.684 675 2HB ASP 82 1HB ASP 82 -1.966 -9.035 -9.351 676 H VAL 83 H VAL 83 1.026 -11.135 -7.233 677 HA VAL 83 HA VAL 83 -0.109 -12.438 -4.853 678 HB VAL 83 HB VAL 83 0.291 -13.875 -7.484 679 1HG1 VAL 83 1HG1 VAL 83 -0.622 -15.698 -5.560 680 2HG1 VAL 83 2HG1 VAL 83 0.691 -14.827 -4.768 681 3HG1 VAL 83 3HG1 VAL 83 0.981 -15.661 -6.295 682 1HG2 VAL 83 1HG2 VAL 83 -2.022 -13.279 -5.655 683 2HG2 VAL 83 2HG2 VAL 83 -2.066 -14.709 -6.686 684 3HG2 VAL 83 3HG2 VAL 83 -1.919 -13.106 -7.407 685 H ASP 84 H ASP 84 2.500 -12.467 -7.270 686 HA ASP 84 HA ASP 84 4.360 -13.951 -5.677 687 1HB ASP 84 2HB ASP 84 4.708 -11.996 -7.947 688 2HB ASP 84 1HB ASP 84 6.082 -12.776 -7.167 689 H ILE 85 H ILE 85 3.611 -10.502 -5.833 690 HA ILE 85 HA ILE 85 5.822 -9.905 -3.961 691 HB ILE 85 HB ILE 85 4.213 -7.616 -4.195 692 1HG1 ILE 85 2HG1 ILE 85 3.074 -8.766 -6.117 693 2HG1 ILE 85 1HG1 ILE 85 3.926 -7.292 -6.581 694 1HG2 ILE 85 1HG2 ILE 85 6.573 -7.454 -4.080 695 2HG2 ILE 85 2HG2 ILE 85 6.162 -6.897 -5.702 696 3HG2 ILE 85 3HG2 ILE 85 6.794 -8.526 -5.463 697 1HD1 ILE 85 1HD1 ILE 85 5.848 -9.327 -6.782 698 2HD1 ILE 85 2HD1 ILE 85 5.035 -8.508 -8.115 699 3HD1 ILE 85 3HD1 ILE 85 4.378 -10.014 -7.475 700 H SER 86 H SER 86 2.857 -11.207 -3.610 701 HA SER 86 HA SER 86 1.901 -9.625 -1.337 702 1HB SER 86 2HB SER 86 0.567 -11.185 -3.018 703 2HB SER 86 1HB SER 86 0.996 -12.438 -1.858 704 HG SER 86 HG SER 86 -0.581 -10.132 -1.532 705 H THR 87 H THR 87 1.193 -11.817 0.405 706 HA THR 87 HA THR 87 3.891 -12.380 1.544 707 HB THR 87 HB THR 87 1.113 -12.451 2.768 708 HG1 THR 87 HG1 THR 87 1.611 -10.472 3.178 709 1HG2 THR 87 1HG2 THR 87 3.768 -13.441 3.728 710 2HG2 THR 87 2HG2 THR 87 2.162 -14.125 3.977 711 3HG2 THR 87 3HG2 THR 87 2.669 -12.707 4.896 712 H LEU 88 H LEU 88 2.186 -13.759 -0.661 713 HA LEU 88 HA LEU 88 2.321 -16.497 0.506 714 1HB LEU 88 2HB LEU 88 0.680 -16.267 -1.877 715 2HB LEU 88 1HB LEU 88 0.252 -16.886 -0.291 716 HG LEU 88 HG LEU 88 0.364 -13.939 -0.950 717 1HD1 LEU 88 1HD1 LEU 88 -2.217 -15.362 -0.512 718 2HD1 LEU 88 2HD1 LEU 88 -1.434 -15.582 -2.078 719 3HD1 LEU 88 3HD1 LEU 88 -1.864 -13.963 -1.525 720 1HD2 LEU 88 1HD2 LEU 88 0.543 -14.994 1.476 721 2HD2 LEU 88 2HD2 LEU 88 -1.197 -15.194 1.282 722 3HD2 LEU 88 3HD2 LEU 88 -0.478 -13.587 1.192 723 H LEU 89 H LEU 89 4.551 -15.135 -0.727 724 HA LEU 89 HA LEU 89 4.746 -16.444 -3.391 725 1HB LEU 89 2HB LEU 89 6.724 -15.030 -3.719 726 2HB LEU 89 1HB LEU 89 5.355 -14.036 -3.218 727 HG LEU 89 HG LEU 89 6.881 -15.089 -0.948 728 1HD1 LEU 89 1HD1 LEU 89 8.963 -14.660 -1.693 729 2HD1 LEU 89 2HD1 LEU 89 8.509 -12.959 -1.809 730 3HD1 LEU 89 3HD1 LEU 89 8.338 -14.016 -3.210 731 1HD2 LEU 89 1HD2 LEU 89 6.926 -12.399 -0.723 732 2HD2 LEU 89 2HD2 LEU 89 5.502 -13.358 -0.319 733 3HD2 LEU 89 3HD2 LEU 89 5.613 -12.563 -1.889 734 H ARG 90 H ARG 90 7.592 -16.655 -3.391 735 HA ARG 90 HA ARG 90 9.233 -18.244 -2.858 736 1HB ARG 90 2HB ARG 90 9.453 -17.029 -0.790 737 2HB ARG 90 1HB ARG 90 7.989 -17.766 -0.137 738 1HG ARG 90 2HG ARG 90 9.093 -19.632 0.511 739 2HG ARG 90 1HG ARG 90 9.964 -19.744 -1.020 740 1HD ARG 90 2HD ARG 90 11.610 -19.347 0.690 741 2HD ARG 90 1HD ARG 90 11.429 -17.840 -0.210 742 HE ARG 90 HE ARG 90 9.838 -18.179 2.276 743 1HH1 ARG 90 2HH1 ARG 90 11.277 -16.003 0.210 744 2HH1 ARG 90 1HH1 ARG 90 11.996 -15.019 1.441 745 1HH2 ARG 90 1HH2 ARG 90 11.247 -17.223 4.012 746 2HH2 ARG 90 2HH2 ARG 90 11.978 -15.710 3.594 747 H ASN 91 HN ASN 91 7.327 -19.596 -0.270 748 HA ASN 91 HA ASN 91 6.763 -21.950 -2.025 749 1HB ASN 91 2HB ASN 91 6.679 -23.206 0.199 750 2HB ASN 91 1HB ASN 91 8.269 -22.618 -0.288 751 1HD2 ASN 91 1HD2 ASN 91 9.202 -22.162 1.755 752 2HD2 ASN 91 2HD2 ASN 91 8.533 -21.071 2.871 Start of MODEL 5 1 1H GLY 1 1H GLY 1 -18.293 9.688 2.868 2 2H GLY 1 2H GLY 1 -16.937 10.484 2.227 3 3H GLY 1 3H GLY 1 -16.838 8.842 2.650 4 1HA GLY 1 1HA GLY 1 -18.865 9.171 0.774 5 2HA GLY 1 2HA GLY 1 -17.396 9.954 0.116 6 H SER 2 H SER 2 -17.536 8.115 -1.409 7 HA SER 2 HA SER 2 -17.270 5.387 -0.498 8 1HB SER 2 2HB SER 2 -19.904 6.268 -0.607 9 2HB SER 2 1HB SER 2 -19.683 5.455 -2.153 10 HG SER 2 HG SER 2 -19.611 4.455 0.443 11 H ARG 3 H ARG 3 -18.458 7.313 -3.273 12 HA ARG 3 HA ARG 3 -16.719 5.641 -5.030 13 1HB ARG 3 2HB ARG 3 -19.222 7.243 -5.513 14 2HB ARG 3 1HB ARG 3 -18.144 6.852 -6.853 15 1HG ARG 3 2HG ARG 3 -18.831 4.701 -6.899 16 2HG ARG 3 1HG ARG 3 -18.657 4.536 -5.152 17 1HD ARG 3 2HD ARG 3 -20.874 6.244 -5.564 18 2HD ARG 3 1HD ARG 3 -21.067 4.905 -6.695 19 HE ARG 3 HE ARG 3 -20.723 4.532 -3.745 20 1HH1 ARG 3 2HH1 ARG 3 -22.761 3.447 -3.152 21 2HH1 ARG 3 1HH1 ARG 3 -23.262 2.156 -4.192 22 1HH2 ARG 3 2HH2 ARG 3 -22.260 1.867 -6.197 23 2HH2 ARG 3 1HH2 ARG 3 -20.990 2.935 -6.694 24 H ILE 4 H ILE 4 -15.636 7.768 -3.374 25 HA ILE 4 HA ILE 4 -15.298 10.201 -4.848 26 HB ILE 4 HB ILE 4 -13.236 10.467 -3.407 27 1HG1 ILE 4 2HG1 ILE 4 -13.571 8.467 -1.521 28 2HG1 ILE 4 1HG1 ILE 4 -13.788 7.605 -3.045 29 1HG2 ILE 4 1HG2 ILE 4 -15.152 9.648 -1.386 30 2HG2 ILE 4 2HG2 ILE 4 -15.959 10.480 -2.715 31 3HG2 ILE 4 3HG2 ILE 4 -14.645 11.275 -1.846 32 1HD1 ILE 4 1HD1 ILE 4 -11.376 7.838 -2.125 33 2HD1 ILE 4 2HD1 ILE 4 -11.488 9.515 -2.658 34 3HD1 ILE 4 3HD1 ILE 4 -11.645 8.206 -3.829 35 H ALA 5 H ALA 5 -13.441 10.873 -6.118 36 HA ALA 5 HA ALA 5 -12.203 8.587 -7.570 37 1HB ALA 5 1HB ALA 5 -12.855 11.422 -8.266 38 2HB ALA 5 2HB ALA 5 -13.097 9.952 -9.210 39 3HB ALA 5 3HB ALA 5 -11.487 10.660 -9.080 40 H LYS 6 H LYS 6 -11.086 11.905 -6.823 41 HA LYS 6 HA LYS 6 -8.328 11.181 -6.762 42 1HB LYS 6 2HB LYS 6 -9.944 13.545 -6.073 43 2HB LYS 6 1HB LYS 6 -8.461 13.390 -5.130 44 1HG LYS 6 2HG LYS 6 -7.605 14.490 -6.967 45 2HG LYS 6 1HG LYS 6 -7.441 12.828 -7.535 46 1HD LYS 6 2HD LYS 6 -8.497 14.080 -9.302 47 2HD LYS 6 1HD LYS 6 -9.736 13.057 -8.576 48 1HE LYS 6 2HE LYS 6 -9.540 15.607 -7.193 49 2HE LYS 6 1HE LYS 6 -9.862 15.835 -8.913 50 1HZ LYS 6 1HZ LYS 6 -11.467 14.426 -6.892 51 2HZ LYS 6 2HZ LYS 6 -11.579 13.955 -8.521 52 3HZ LYS 6 3HZ LYS 6 -11.961 15.546 -8.066 53 H ARG 7 H ARG 7 -7.386 9.850 -5.307 54 HA ARG 7 HA ARG 7 -8.591 9.063 -2.833 55 1HB ARG 7 2HB ARG 7 -6.428 8.215 -4.347 56 2HB ARG 7 1HB ARG 7 -5.666 8.858 -2.892 57 1HG ARG 7 2HG ARG 7 -6.136 6.803 -2.026 58 2HG ARG 7 1HG ARG 7 -7.755 7.469 -1.811 59 1HD ARG 7 2HD ARG 7 -7.662 6.620 -4.487 60 2HD ARG 7 1HD ARG 7 -6.882 5.334 -3.567 61 HE ARG 7 HE ARG 7 -9.605 6.361 -2.872 62 1HH1 ARG 7 2HH1 ARG 7 -10.321 4.758 -1.256 63 2HH1 ARG 7 1HH1 ARG 7 -10.044 3.098 -1.668 64 1HH2 ARG 7 2HH2 ARG 7 -8.689 2.574 -3.397 65 2HH2 ARG 7 1HH2 ARG 7 -7.927 3.831 -4.312 66 H THR 8 H THR 8 -7.249 9.378 -0.683 67 HA THR 8 HA THR 8 -7.486 11.973 0.252 68 HB THR 8 HB THR 8 -6.983 10.512 1.974 69 HG1 THR 8 HG1 THR 8 -4.521 10.865 2.318 70 1HG2 THR 8 1HG2 THR 8 -5.132 9.305 -0.039 71 2HG2 THR 8 2HG2 THR 8 -6.345 8.526 0.978 72 3HG2 THR 8 3HG2 THR 8 -4.801 9.021 1.670 73 H ALA 9 H ALA 9 -4.134 10.918 0.102 74 HA ALA 9 HA ALA 9 -3.368 13.565 -0.921 75 1HB ALA 9 1HB ALA 9 -1.412 11.322 -0.567 76 2HB ALA 9 2HB ALA 9 -2.150 12.038 0.866 77 3HB ALA 9 3HB ALA 9 -1.210 13.042 -0.237 78 H ILE 10 H ILE 10 -1.581 13.505 -2.727 79 HA ILE 10 HA ILE 10 -2.633 11.740 -4.892 80 HB ILE 10 HB ILE 10 -1.273 14.442 -4.962 81 1HG1 ILE 10 2HG1 ILE 10 -3.639 14.179 -6.560 82 2HG1 ILE 10 1HG1 ILE 10 -3.979 13.544 -4.950 83 1HG2 ILE 10 1HG2 ILE 10 -1.876 13.986 -7.545 84 2HG2 ILE 10 2HG2 ILE 10 -1.525 12.331 -7.048 85 3HG2 ILE 10 3HG2 ILE 10 -0.300 13.586 -6.860 86 1HD1 ILE 10 1HD1 ILE 10 -4.442 15.854 -4.754 87 2HD1 ILE 10 2HD1 ILE 10 -3.032 16.305 -5.713 88 3HD1 ILE 10 3HD1 ILE 10 -2.823 15.686 -4.074 89 H ASN 11 H ASN 11 -1.173 10.027 -3.957 90 HA ASN 11 HA ASN 11 1.672 10.257 -3.926 91 1HB ASN 11 2HB ASN 11 0.114 8.327 -3.085 92 2HB ASN 11 1HB ASN 11 0.244 7.723 -4.736 93 1HD2 ASN 11 1HD2 ASN 11 1.838 6.150 -4.845 94 2HD2 ASN 11 2HD2 ASN 11 3.321 6.200 -4.021 95 H LYS 12 H LYS 12 2.683 8.369 -5.731 96 HA LYS 12 HA LYS 12 3.331 9.634 -8.038 97 1HB LYS 12 2HB LYS 12 2.624 6.730 -7.606 98 2HB LYS 12 1HB LYS 12 3.179 7.304 -9.177 99 1HG LYS 12 2HG LYS 12 5.170 6.631 -8.121 100 2HG LYS 12 1HG LYS 12 5.142 8.374 -7.844 101 1HD LYS 12 2HD LYS 12 4.519 8.131 -5.596 102 2HD LYS 12 1HD LYS 12 3.890 6.503 -5.851 103 1HE LYS 12 2HE LYS 12 6.262 5.771 -6.350 104 2HE LYS 12 1HE LYS 12 6.792 7.362 -5.801 105 1HZ LYS 12 1HZ LYS 12 5.456 5.231 -4.253 106 2HZ LYS 12 2HZ LYS 12 5.444 6.846 -3.724 107 3HZ LYS 12 3HZ LYS 12 6.918 6.025 -3.919 108 H THR 13 H THR 13 1.673 11.018 -8.841 109 HA THR 13 HA THR 13 -1.010 10.355 -9.335 110 HB THR 13 HB THR 13 0.098 12.057 -11.436 111 HG1 THR 13 HG1 THR 13 0.941 13.596 -10.070 112 1HG2 THR 13 1HG2 THR 13 -2.199 11.829 -9.827 113 2HG2 THR 13 2HG2 THR 13 -1.886 13.047 -11.063 114 3HG2 THR 13 3HG2 THR 13 -1.460 13.366 -9.382 115 H LYS 14 H LYS 14 -2.062 10.029 -11.494 116 HA LYS 14 HA LYS 14 -1.405 7.634 -12.718 117 1HB LYS 14 2HB LYS 14 -2.519 8.765 -14.829 118 2HB LYS 14 1HB LYS 14 -3.480 8.471 -13.378 119 1HG LYS 14 2HG LYS 14 -2.038 11.022 -13.290 120 2HG LYS 14 1HG LYS 14 -3.180 10.924 -14.632 121 1HD LYS 14 2HD LYS 14 -4.276 9.845 -12.140 122 2HD LYS 14 1HD LYS 14 -3.829 11.546 -12.005 123 1HE LYS 14 2HE LYS 14 -5.438 12.223 -13.479 124 2HE LYS 14 1HE LYS 14 -5.254 10.793 -14.494 125 1HZ LYS 14 1HZ LYS 14 -7.168 11.291 -12.492 126 2HZ LYS 14 2HZ LYS 14 -6.240 9.942 -12.039 127 3HZ LYS 14 3HZ LYS 14 -7.046 9.958 -13.533 128 H LYS 15 H LYS 15 -0.192 10.867 -13.543 129 HA LYS 15 HA LYS 15 1.360 9.953 -15.816 130 1HB LYS 15 2HB LYS 15 1.535 12.460 -14.117 131 2HB LYS 15 1HB LYS 15 2.482 12.192 -15.581 132 1HG LYS 15 2HG LYS 15 -0.426 11.717 -15.859 133 2HG LYS 15 1HG LYS 15 0.038 13.393 -15.567 134 1HD LYS 15 2HD LYS 15 1.402 11.702 -17.666 135 2HD LYS 15 1HD LYS 15 -0.048 12.643 -18.020 136 1HE LYS 15 2HE LYS 15 1.070 14.624 -17.958 137 2HE LYS 15 1HE LYS 15 2.060 14.130 -16.584 138 1HZ LYS 15 1HZ LYS 15 2.687 14.081 -19.350 139 2HZ LYS 15 2HZ LYS 15 2.836 12.526 -18.685 140 3HZ LYS 15 3HZ LYS 15 3.705 13.824 -18.018 141 H ALA 16 H ALA 16 2.099 10.649 -12.399 142 HA ALA 16 HA ALA 16 4.877 9.727 -12.770 143 1HB ALA 16 1HB ALA 16 5.006 11.387 -11.204 144 2HB ALA 16 2HB ALA 16 4.631 10.070 -10.091 145 3HB ALA 16 3HB ALA 16 3.348 11.138 -10.659 146 H ASP 17 H ASP 17 2.286 8.000 -12.867 147 HA ASP 17 HA ASP 17 2.628 6.150 -10.628 148 1HB ASP 17 2HB ASP 17 0.471 6.601 -11.947 149 2HB ASP 17 1HB ASP 17 1.171 5.591 -13.214 150 H VAL 18 H VAL 18 3.706 6.337 -13.990 151 HA VAL 18 HA VAL 18 5.140 3.749 -13.565 152 HB VAL 18 HB VAL 18 4.868 4.963 -16.281 153 1HG1 VAL 18 1HG1 VAL 18 6.160 2.876 -15.843 154 2HG1 VAL 18 2HG1 VAL 18 4.800 2.614 -16.935 155 3HG1 VAL 18 3HG1 VAL 18 4.682 2.123 -15.245 156 1HG2 VAL 18 1HG2 VAL 18 2.602 5.192 -15.557 157 2HG2 VAL 18 2HG2 VAL 18 2.649 3.655 -14.693 158 3HG2 VAL 18 3HG2 VAL 18 2.659 3.676 -16.458 159 H LYS 19 H LYS 19 5.532 7.157 -14.146 160 HA LYS 19 HA LYS 19 8.352 6.794 -14.949 161 1HB LYS 19 2HB LYS 19 8.443 9.198 -15.203 162 2HB LYS 19 1HB LYS 19 6.954 8.625 -15.945 163 1HG LYS 19 2HG LYS 19 5.635 9.625 -14.390 164 2HG LYS 19 1HG LYS 19 6.800 9.399 -13.087 165 1HD LYS 19 2HD LYS 19 7.915 11.147 -15.090 166 2HD LYS 19 1HD LYS 19 6.337 11.754 -14.585 167 1HE LYS 19 2HE LYS 19 7.405 12.620 -12.792 168 2HE LYS 19 1HE LYS 19 7.506 10.964 -12.196 169 1HZ LYS 19 1HZ LYS 19 9.552 12.608 -13.479 170 2HZ LYS 19 2HZ LYS 19 9.572 10.940 -13.802 171 3HZ LYS 19 3HZ LYS 19 9.695 11.501 -12.203 172 H ALA 20 H ALA 20 6.464 7.671 -12.116 173 HA ALA 20 HA ALA 20 8.734 8.498 -10.490 174 1HB ALA 20 1HB ALA 20 6.117 7.317 -9.529 175 2HB ALA 20 2HB ALA 20 6.288 9.007 -10.000 176 3HB ALA 20 3HB ALA 20 7.208 8.374 -8.634 177 H ILE 21 H ILE 21 7.512 5.519 -11.660 178 HA ILE 21 HA ILE 21 8.519 3.812 -9.540 179 HB ILE 21 HB ILE 21 7.971 3.110 -12.436 180 1HG1 ILE 21 2HG1 ILE 21 6.026 4.221 -11.430 181 2HG1 ILE 21 1HG1 ILE 21 5.707 2.498 -11.629 182 1HG2 ILE 21 1HG2 ILE 21 8.242 0.947 -11.820 183 2HG2 ILE 21 2HG2 ILE 21 7.412 1.185 -10.283 184 3HG2 ILE 21 3HG2 ILE 21 9.118 1.604 -10.438 185 1HD1 ILE 21 1HD1 ILE 21 6.953 2.847 -9.091 186 2HD1 ILE 21 2HD1 ILE 21 5.300 2.330 -9.423 187 3HD1 ILE 21 3HD1 ILE 21 5.665 4.044 -9.216 188 H ALA 22 H ALA 22 9.843 5.095 -12.571 189 HA ALA 22 HA ALA 22 12.274 3.443 -12.238 190 1HB ALA 22 1HB ALA 22 11.165 3.939 -14.486 191 2HB ALA 22 2HB ALA 22 12.906 4.210 -14.404 192 3HB ALA 22 3HB ALA 22 11.796 5.577 -14.323 193 H ASP 23 H ASP 23 11.243 6.762 -11.776 194 HA ASP 23 HA ASP 23 14.025 7.637 -11.285 195 1HB ASP 23 2HB ASP 23 12.686 9.187 -12.550 196 2HB ASP 23 1HB ASP 23 11.380 9.111 -11.366 197 H ALA 24 H ALA 24 11.289 6.531 -9.498 198 HA ALA 24 HA ALA 24 12.263 7.822 -7.017 199 1HB ALA 24 1HB ALA 24 10.253 7.044 -5.976 200 2HB ALA 24 2HB ALA 24 9.936 5.908 -7.287 201 3HB ALA 24 3HB ALA 24 9.789 7.642 -7.567 202 H TRP 25 H TRP 25 12.139 6.174 -5.048 203 HA TRP 25 HA TRP 25 13.053 4.321 -3.973 204 1HB TRP 25 2HB TRP 25 13.653 2.822 -6.460 205 2HB TRP 25 1HB TRP 25 13.038 2.255 -4.931 206 HD1 TRP 25 HD1 TRP 25 10.624 4.852 -5.934 207 HE1 TRP 25 HE1 TRP 25 8.682 3.844 -7.241 208 HE3 TRP 25 HE3 TRP 25 12.473 0.176 -6.876 209 HZ2 TRP 25 HZ2 TRP 25 7.999 1.392 -8.512 210 HZ3 TRP 25 HZ3 TRP 25 11.112 -1.457 -8.127 211 HH2 TRP 25 HH2 TRP 25 8.889 -0.833 -8.958 212 H GLN 26 H GLN 26 15.161 2.646 -5.508 213 HA GLN 26 HA GLN 26 17.357 4.610 -5.143 214 1HB GLN 26 2HB GLN 26 17.301 2.303 -4.000 215 2HB GLN 26 1HB GLN 26 17.628 1.634 -5.596 216 1HG GLN 26 2HG GLN 26 19.799 1.900 -4.868 217 2HG GLN 26 1HG GLN 26 19.542 3.493 -5.581 218 1HE2 GLN 26 1HE2 GLN 26 20.612 4.915 -4.173 219 2HE2 GLN 26 2HE2 GLN 26 20.373 4.963 -2.494 220 H ILE 27 H ILE 27 16.521 5.504 -7.382 221 HA ILE 27 HA ILE 27 17.584 3.849 -9.620 222 HB ILE 27 HB ILE 27 15.760 4.603 -10.727 223 1HG1 ILE 27 2HG1 ILE 27 17.448 6.394 -11.445 224 2HG1 ILE 27 1HG1 ILE 27 15.744 6.792 -11.664 225 1HG2 ILE 27 1HG2 ILE 27 15.142 6.783 -8.765 226 2HG2 ILE 27 2HG2 ILE 27 14.976 5.098 -8.292 227 3HG2 ILE 27 3HG2 ILE 27 14.051 5.718 -9.649 228 1HD1 ILE 27 1HD1 ILE 27 15.774 8.407 -10.043 229 2HD1 ILE 27 2HD1 ILE 27 17.492 8.450 -10.436 230 3HD1 ILE 27 3HD1 ILE 27 16.929 7.529 -9.042 231 H ASN 28 H ASN 28 18.243 6.640 -7.705 232 HA ASN 28 HA ASN 28 20.833 6.965 -9.041 233 1HB ASN 28 2HB ASN 28 19.352 8.416 -10.412 234 2HB ASN 28 1HB ASN 28 18.867 9.275 -8.948 235 1HD2 ASN 28 1HD2 ASN 28 20.068 11.127 -8.556 236 2HD2 ASN 28 2HD2 ASN 28 21.668 11.381 -9.054 237 H GLY 29 H GLY 29 18.515 8.259 -6.687 238 1HA GLY 29 2HA GLY 29 19.212 8.212 -4.288 239 2HA GLY 29 1HA GLY 29 20.818 8.698 -4.838 240 H GLU 30 H GLU 30 19.836 10.564 -6.821 241 HA GLU 30 HA GLU 30 18.990 12.740 -4.981 242 1HB GLU 30 2HB GLU 30 21.144 13.135 -6.082 243 2HB GLU 30 1HB GLU 30 20.395 12.884 -7.660 244 1HG GLU 30 2HG GLU 30 20.089 15.134 -7.648 245 2HG GLU 30 1HG GLU 30 18.748 14.784 -6.558 246 H LYS 31 H LYS 31 18.276 11.152 -8.037 247 HA LYS 31 HA LYS 31 16.104 13.004 -8.687 248 1HB LYS 31 2HB LYS 31 17.357 10.611 -9.922 249 2HB LYS 31 1HB LYS 31 15.652 10.865 -10.290 250 1HG LYS 31 2HG LYS 31 16.490 12.224 -11.925 251 2HG LYS 31 1HG LYS 31 16.581 13.392 -10.608 252 1HD LYS 31 2HD LYS 31 18.926 12.210 -10.184 253 2HD LYS 31 1HD LYS 31 18.772 11.816 -11.896 254 1HE LYS 31 2HE LYS 31 18.721 14.573 -10.641 255 2HE LYS 31 1HE LYS 31 19.935 13.924 -11.745 256 1HZ LYS 31 1HZ LYS 31 18.692 14.934 -13.292 257 2HZ LYS 31 2HZ LYS 31 17.309 14.998 -12.308 258 3HZ LYS 31 3HZ LYS 31 17.689 13.574 -13.152 259 H GLU 32 H GLU 32 16.469 9.876 -7.109 260 HA GLU 32 HA GLU 32 13.581 9.393 -7.040 261 1HB GLU 32 2HB GLU 32 14.173 7.489 -5.584 262 2HB GLU 32 1HB GLU 32 15.175 7.497 -7.037 263 1HG GLU 32 2HG GLU 32 16.780 7.176 -5.375 264 2HG GLU 32 1HG GLU 32 16.806 8.932 -5.541 265 H LEU 33 H LEU 33 16.040 10.755 -4.900 266 HA LEU 33 HA LEU 33 14.409 10.856 -2.552 267 1HB LEU 33 2HB LEU 33 16.090 12.162 -1.615 268 2HB LEU 33 1HB LEU 33 16.983 11.377 -2.914 269 HG LEU 33 HG LEU 33 16.270 13.449 -4.336 270 1HD1 LEU 33 1HD1 LEU 33 16.406 15.199 -2.061 271 2HD1 LEU 33 2HD1 LEU 33 15.075 14.067 -1.828 272 3HD1 LEU 33 3HD1 LEU 33 15.131 15.076 -3.273 273 1HD2 LEU 33 1HD2 LEU 33 18.543 12.782 -2.985 274 2HD2 LEU 33 2HD2 LEU 33 18.168 14.336 -2.239 275 3HD2 LEU 33 3HD2 LEU 33 18.392 14.227 -3.985 276 H GLU 34 H GLU 34 14.528 12.784 -5.457 277 HA GLU 34 HA GLU 34 13.120 15.072 -4.492 278 1HB GLU 34 2HB GLU 34 14.426 14.715 -6.720 279 2HB GLU 34 1HB GLU 34 12.901 14.053 -7.316 280 1HG GLU 34 2HG GLU 34 11.782 16.074 -7.108 281 2HG GLU 34 1HG GLU 34 12.873 16.642 -5.843 282 H LEU 35 H LEU 35 11.920 12.284 -6.438 283 HA LEU 35 HA LEU 35 9.226 12.926 -6.425 284 1HB LEU 35 2HB LEU 35 10.313 10.891 -7.519 285 2HB LEU 35 1HB LEU 35 10.238 10.108 -5.944 286 HG LEU 35 HG LEU 35 8.270 9.834 -7.743 287 1HD1 LEU 35 1HD1 LEU 35 6.698 9.489 -5.802 288 2HD1 LEU 35 2HD1 LEU 35 7.930 10.189 -4.753 289 3HD1 LEU 35 3HD1 LEU 35 8.256 8.687 -5.614 290 1HD2 LEU 35 1HD2 LEU 35 6.449 11.398 -7.315 291 2HD2 LEU 35 2HD2 LEU 35 7.874 12.302 -7.827 292 3HD2 LEU 35 3HD2 LEU 35 7.428 12.250 -6.123 293 H LEU 36 H LEU 36 10.820 10.864 -3.967 294 HA LEU 36 HA LEU 36 8.561 10.843 -2.244 295 1HB LEU 36 2HB LEU 36 10.797 9.416 -2.252 296 2HB LEU 36 1HB LEU 36 11.337 10.671 -1.131 297 HG LEU 36 HG LEU 36 10.250 8.719 0.013 298 1HD1 LEU 36 1HD1 LEU 36 8.404 11.028 0.409 299 2HD1 LEU 36 2HD1 LEU 36 10.121 11.342 0.620 300 3HD1 LEU 36 3HD1 LEU 36 9.318 10.117 1.601 301 1HD2 LEU 36 1HD2 LEU 36 7.614 9.738 -0.964 302 2HD2 LEU 36 2HD2 LEU 36 8.059 8.112 -0.449 303 3HD2 LEU 36 3HD2 LEU 36 8.535 8.694 -2.045 304 H GLN 37 H GLN 37 11.071 13.193 -2.775 305 HA GLN 37 HA GLN 37 10.981 14.594 -0.330 306 1HB GLN 37 2HB GLN 37 12.423 15.033 -2.463 307 2HB GLN 37 1HB GLN 37 11.073 16.045 -2.973 308 1HG GLN 37 2HG GLN 37 11.425 17.600 -1.300 309 2HG GLN 37 1HG GLN 37 12.133 16.413 -0.202 310 1HE2 GLN 37 1HE2 GLN 37 13.169 16.690 -3.579 311 2HE2 GLN 37 2HE2 GLN 37 14.718 17.294 -3.241 312 H GLN 38 H GLN 38 8.546 14.151 -2.690 313 HA GLN 38 HA GLN 38 6.756 15.915 -1.134 314 1HB GLN 38 2HB GLN 38 7.827 16.708 -3.612 315 2HB GLN 38 1HB GLN 38 6.191 16.154 -3.974 316 1HG GLN 38 2HG GLN 38 6.396 17.805 -1.540 317 2HG GLN 38 1HG GLN 38 6.806 18.656 -3.030 318 1HE2 GLN 38 1HE2 GLN 38 5.113 18.052 -4.919 319 2HE2 GLN 38 2HE2 GLN 38 3.483 18.103 -4.446 320 H ILE 39 H ILE 39 7.231 12.908 -1.775 321 HA ILE 39 HA ILE 39 4.456 12.423 -2.711 322 HB ILE 39 HB ILE 39 6.977 11.172 -3.553 323 1HG1 ILE 39 2HG1 ILE 39 5.727 11.034 -5.649 324 2HG1 ILE 39 1HG1 ILE 39 4.229 11.427 -4.816 325 1HG2 ILE 39 1HG2 ILE 39 4.396 9.600 -3.249 326 2HG2 ILE 39 2HG2 ILE 39 5.883 9.299 -2.351 327 3HG2 ILE 39 3HG2 ILE 39 5.838 9.039 -4.095 328 1HD1 ILE 39 1HD1 ILE 39 4.711 13.651 -4.728 329 2HD1 ILE 39 2HD1 ILE 39 5.799 13.274 -6.061 330 3HD1 ILE 39 3HD1 ILE 39 6.421 13.368 -4.416 331 H ALA 40 H ALA 40 6.878 11.463 -0.298 332 HA ALA 40 HA ALA 40 5.139 9.308 0.721 333 1HB ALA 40 1HB ALA 40 7.530 10.634 2.035 334 2HB ALA 40 2HB ALA 40 7.572 9.141 1.102 335 3HB ALA 40 3HB ALA 40 6.706 9.197 2.630 336 H GLN 41 H GLN 41 5.125 12.608 0.836 337 HA GLN 41 HA GLN 41 3.786 12.688 3.479 338 1HB GLN 41 2HB GLN 41 4.533 15.071 1.818 339 2HB GLN 41 1HB GLN 41 4.353 14.974 3.571 340 1HG GLN 41 2HG GLN 41 6.407 13.840 3.846 341 2HG GLN 41 1HG GLN 41 6.450 13.320 2.171 342 1HE2 GLN 41 1HE2 GLN 41 8.295 14.290 1.359 343 2HE2 GLN 41 2HE2 GLN 41 8.622 15.948 1.445 344 H LYS 42 H LYS 42 3.220 12.652 0.158 345 HA LYS 42 HA LYS 42 0.378 13.376 0.686 346 1HB LYS 42 2HB LYS 42 0.365 14.419 -1.655 347 2HB LYS 42 1HB LYS 42 1.171 15.343 -0.388 348 1HG LYS 42 2HG LYS 42 2.878 15.426 -1.898 349 2HG LYS 42 1HG LYS 42 3.243 13.820 -1.272 350 1HD LYS 42 2HD LYS 42 3.176 13.749 -3.712 351 2HD LYS 42 1HD LYS 42 1.821 12.832 -3.061 352 1HE LYS 42 2HE LYS 42 0.378 14.149 -4.170 353 2HE LYS 42 1HE LYS 42 1.014 15.566 -3.334 354 1HZ LYS 42 1HZ LYS 42 1.189 15.577 -5.830 355 2HZ LYS 42 2HZ LYS 42 2.361 14.357 -5.677 356 3HZ LYS 42 3HZ LYS 42 2.629 15.887 -4.990 357 HA PRO 43 HA PRO 43 1.244 9.589 -2.095 358 1HB PRO 43 2HB PRO 43 1.158 7.569 -0.236 359 2HB PRO 43 1HB PRO 43 2.658 8.327 -0.795 360 1HG PRO 43 2HG PRO 43 1.188 8.739 1.780 361 2HG PRO 43 1HG PRO 43 2.929 8.817 1.446 362 1HD PRO 43 2HD PRO 43 1.301 11.066 1.735 363 2HD PRO 43 1HD PRO 43 2.850 11.023 0.878 364 H GLY 44 H GLY 44 -0.445 8.384 0.782 365 1HA GLY 44 2HA GLY 44 -2.677 7.664 1.010 366 2HA GLY 44 1HA GLY 44 -3.099 9.086 0.045 367 H ALA 45 H ALA 45 -0.840 6.910 -1.328 368 HA ALA 45 HA ALA 45 -2.834 5.332 -2.789 369 1HB ALA 45 1HB ALA 45 -1.269 6.394 -4.860 370 2HB ALA 45 2HB ALA 45 -1.704 7.780 -3.860 371 3HB ALA 45 3HB ALA 45 -2.965 6.749 -4.534 372 H LEU 46 H LEU 46 0.562 6.203 -2.202 373 HA LEU 46 HA LEU 46 1.959 4.342 -3.686 374 1HB LEU 46 2HB LEU 46 3.215 5.748 -2.234 375 2HB LEU 46 1HB LEU 46 2.317 5.225 -0.818 376 HG LEU 46 HG LEU 46 4.749 4.313 -1.265 377 1HD1 LEU 46 1HD1 LEU 46 3.788 3.460 0.635 378 2HD1 LEU 46 2HD1 LEU 46 3.813 1.998 -0.349 379 3HD1 LEU 46 3HD1 LEU 46 2.328 2.936 -0.202 380 1HD2 LEU 46 1HD2 LEU 46 3.443 3.259 -3.533 381 2HD2 LEU 46 2HD2 LEU 46 3.659 1.897 -2.439 382 3HD2 LEU 46 3HD2 LEU 46 5.050 2.845 -2.945 383 H ARG 47 H ARG 47 -0.014 3.731 -0.811 384 HA ARG 47 HA ARG 47 0.671 1.075 -0.249 385 1HB ARG 47 2HB ARG 47 -1.524 2.836 0.330 386 2HB ARG 47 1HB ARG 47 -2.148 1.228 -0.039 387 1HG ARG 47 2HG ARG 47 -0.968 0.222 1.712 388 2HG ARG 47 1HG ARG 47 0.220 1.523 1.790 389 1HD ARG 47 2HD ARG 47 -2.611 2.264 2.335 390 2HD ARG 47 1HD ARG 47 -1.788 1.306 3.566 391 HE ARG 47 HE ARG 47 -0.603 3.857 2.553 392 1HH1 ARG 47 2HH1 ARG 47 0.768 2.077 4.607 393 2HH1 ARG 47 1HH1 ARG 47 0.348 2.881 6.082 394 1HH2 ARG 47 1HH2 ARG 47 -2.194 4.753 4.648 395 2HH2 ARG 47 2HH2 ARG 47 -1.329 4.396 6.105 396 H ILE 48 H ILE 48 -1.843 2.136 -2.602 397 HA ILE 48 HA ILE 48 -2.624 -0.443 -3.442 398 HB ILE 48 HB ILE 48 -2.364 2.065 -5.137 399 1HG1 ILE 48 2HG1 ILE 48 -3.778 2.318 -3.108 400 2HG1 ILE 48 1HG1 ILE 48 -4.741 2.378 -4.584 401 1HG2 ILE 48 1HG2 ILE 48 -2.600 0.107 -6.553 402 2HG2 ILE 48 2HG2 ILE 48 -4.154 0.939 -6.499 403 3HG2 ILE 48 3HG2 ILE 48 -3.900 -0.520 -5.540 404 1HD1 ILE 48 1HD1 ILE 48 -5.060 -0.164 -4.254 405 2HD1 ILE 48 2HD1 ILE 48 -5.945 0.910 -3.170 406 3HD1 ILE 48 3HD1 ILE 48 -4.477 0.109 -2.612 407 H LEU 49 H LEU 49 -0.273 1.627 -5.203 408 HA LEU 49 HA LEU 49 0.772 -0.696 -6.617 409 1HB LEU 49 2HB LEU 49 2.340 1.854 -6.408 410 2HB LEU 49 1HB LEU 49 2.095 0.808 -7.805 411 HG LEU 49 HG LEU 49 -0.474 1.716 -7.134 412 1HD1 LEU 49 1HD1 LEU 49 -0.273 3.759 -6.213 413 2HD1 LEU 49 2HD1 LEU 49 0.724 4.277 -7.571 414 3HD1 LEU 49 3HD1 LEU 49 1.477 3.554 -6.149 415 1HD2 LEU 49 1HD2 LEU 49 1.524 2.035 -9.291 416 2HD2 LEU 49 2HD2 LEU 49 0.288 3.291 -9.235 417 3HD2 LEU 49 3HD2 LEU 49 -0.181 1.599 -9.393 418 H ASN 50 H ASN 50 1.065 0.242 -3.463 419 HA ASN 50 HA ASN 50 3.904 -0.097 -3.008 420 1HB ASN 50 2HB ASN 50 2.548 1.024 -1.294 421 2HB ASN 50 1HB ASN 50 1.557 -0.417 -1.107 422 1HD2 ASN 50 1HD2 ASN 50 5.122 -0.229 -1.453 423 2HD2 ASN 50 2HD2 ASN 50 5.457 -0.947 0.049 424 H HIS 51 H HIS 51 1.146 -2.192 -3.313 425 HA HIS 51 HA HIS 51 1.937 -4.542 -2.092 426 1HB HIS 51 2HB HIS 51 -0.141 -4.342 -3.401 427 2HB HIS 51 1HB HIS 51 0.794 -4.232 -4.892 428 HD1 HIS 51 HD1 HIS 51 0.477 -6.666 -1.958 429 HD2 HIS 51 HD2 HIS 51 1.143 -6.698 -6.071 430 HE1 HIS 51 HE1 HIS 51 0.613 -9.101 -2.644 431 H SER 52 H SER 52 3.375 -2.921 -4.848 432 HA SER 52 HA SER 52 5.534 -4.968 -4.801 433 1HB SER 52 2HB SER 52 5.259 -3.728 -7.392 434 2HB SER 52 1HB SER 52 5.211 -5.435 -6.974 435 HG SER 52 HG SER 52 3.037 -5.245 -6.557 436 H LEU 53 H LEU 53 4.646 -1.727 -4.406 437 HA LEU 53 HA LEU 53 7.142 -0.600 -5.441 438 1HB LEU 53 2HB LEU 53 4.626 0.496 -4.685 439 2HB LEU 53 1HB LEU 53 5.835 1.205 -3.624 440 HG LEU 53 HG LEU 53 7.096 2.065 -5.443 441 1HD1 LEU 53 1HD1 LEU 53 7.250 0.286 -6.965 442 2HD1 LEU 53 2HD1 LEU 53 6.277 1.463 -7.840 443 3HD1 LEU 53 3HD1 LEU 53 5.506 0.088 -7.055 444 1HD2 LEU 53 1HD2 LEU 53 4.380 2.375 -6.663 445 2HD2 LEU 53 2HD2 LEU 53 5.614 3.596 -6.353 446 3HD2 LEU 53 3HD2 LEU 53 4.631 2.979 -5.025 447 H ARG 54 H ARG 54 6.091 -2.121 -2.610 448 HA ARG 54 HA ARG 54 7.715 -0.905 -0.632 449 1HB ARG 54 2HB ARG 54 6.243 -2.646 0.099 450 2HB ARG 54 1HB ARG 54 6.873 -3.782 -1.095 451 1HG ARG 54 2HG ARG 54 8.963 -3.981 0.066 452 2HG ARG 54 1HG ARG 54 8.578 -2.621 1.121 453 1HD ARG 54 2HD ARG 54 7.252 -3.884 2.482 454 2HD ARG 54 1HD ARG 54 6.608 -4.831 1.140 455 HE ARG 54 HE ARG 54 9.357 -5.323 2.212 456 1HH1 ARG 54 2HH1 ARG 54 7.866 -7.054 3.762 457 2HH1 ARG 54 1HH1 ARG 54 7.489 -8.420 2.766 458 1HH2 ARG 54 2HH2 ARG 54 7.661 -8.262 0.517 459 2HH2 ARG 54 1HH2 ARG 54 8.168 -6.773 -0.209 460 H LEU 55 H LEU 55 8.463 -2.740 -3.469 461 HA LEU 55 HA LEU 55 11.076 -3.696 -2.853 462 1HB LEU 55 2HB LEU 55 9.382 -3.497 -5.160 463 2HB LEU 55 1HB LEU 55 10.979 -2.877 -5.582 464 HG LEU 55 HG LEU 55 10.765 -5.352 -5.919 465 1HD1 LEU 55 1HD1 LEU 55 12.989 -4.688 -5.669 466 2HD1 LEU 55 2HD1 LEU 55 12.822 -5.839 -4.342 467 3HD1 LEU 55 3HD1 LEU 55 12.733 -4.106 -4.023 468 1HD2 LEU 55 1HD2 LEU 55 10.786 -5.537 -2.903 469 2HD2 LEU 55 2HD2 LEU 55 10.463 -6.813 -4.078 470 3HD2 LEU 55 3HD2 LEU 55 9.271 -5.542 -3.808 471 H ALA 56 H ALA 56 9.918 -0.621 -4.145 472 HA ALA 56 HA ALA 56 12.045 0.777 -4.992 473 1HB ALA 56 1HB ALA 56 11.143 2.790 -3.983 474 2HB ALA 56 2HB ALA 56 10.285 1.844 -2.768 475 3HB ALA 56 3HB ALA 56 9.796 1.756 -4.460 476 H ALA 57 H ALA 57 11.582 -0.266 -1.657 477 HA ALA 57 HA ALA 57 14.271 0.834 -0.965 478 1HB ALA 57 1HB ALA 57 13.430 0.168 1.421 479 2HB ALA 57 2HB ALA 57 11.837 0.123 0.663 480 3HB ALA 57 3HB ALA 57 12.772 1.619 0.667 481 H MET 58 H MET 58 12.321 -2.069 -1.231 482 HA MET 58 HA MET 58 14.067 -3.881 0.137 483 1HB MET 58 2HB MET 58 11.616 -4.069 -1.114 484 2HB MET 58 1HB MET 58 12.665 -4.982 -2.200 485 1HG MET 58 2HG MET 58 13.342 -6.468 -0.466 486 2HG MET 58 1HG MET 58 12.686 -5.419 0.791 487 1HE MET 58 1HE MET 58 10.923 -9.024 -0.647 488 2HE MET 58 2HE MET 58 12.569 -8.413 -0.509 489 3HE MET 58 3HE MET 58 11.676 -8.189 -2.011 490 H THR 59 H THR 59 16.221 -3.299 -0.582 491 HA THR 59 HA THR 59 16.820 -3.817 -3.445 492 HB THR 59 HB THR 59 17.853 -1.817 -2.602 493 HG1 THR 59 HG1 THR 59 19.176 -3.296 -3.840 494 1HG2 THR 59 1HG2 THR 59 19.605 -2.435 -0.607 495 2HG2 THR 59 2HG2 THR 59 18.267 -3.517 -0.221 496 3HG2 THR 59 3HG2 THR 59 17.992 -1.778 -0.331 497 H ALA 60 H ALA 60 16.126 -5.889 -1.337 498 HA ALA 60 HA ALA 60 18.605 -7.536 -1.638 499 1HB ALA 60 1HB ALA 60 16.979 -6.928 0.716 500 2HB ALA 60 2HB ALA 60 18.592 -7.637 0.620 501 3HB ALA 60 3HB ALA 60 17.167 -8.663 0.459 502 H HIS 61 H HIS 61 15.551 -7.165 -2.776 503 HA HIS 61 HA HIS 61 14.265 -9.649 -2.642 504 1HB HIS 61 2HB HIS 61 13.470 -7.500 -3.792 505 2HB HIS 61 1HB HIS 61 14.425 -8.017 -5.181 506 HD1 HIS 61 HD1 HIS 61 13.100 -10.899 -3.413 507 HD2 HIS 61 HD2 HIS 61 11.664 -8.298 -6.339 508 HE1 HIS 61 HE1 HIS 61 11.107 -12.045 -4.477 509 H GLY 62 H GLY 62 15.894 -11.266 -2.625 510 1HA GLY 62 2HA GLY 62 17.641 -11.614 -4.952 511 2HA GLY 62 1HA GLY 62 17.523 -12.709 -3.572 512 H LYS 63 H LYS 63 16.003 -11.795 -6.625 513 HA LYS 63 HA LYS 63 15.330 -14.438 -7.361 514 1HB LYS 63 2HB LYS 63 13.618 -13.447 -5.335 515 2HB LYS 63 1HB LYS 63 12.688 -13.407 -6.834 516 1HG LYS 63 2HG LYS 63 14.286 -15.824 -5.962 517 2HG LYS 63 1HG LYS 63 12.586 -15.602 -5.549 518 1HD LYS 63 2HD LYS 63 12.164 -15.273 -8.048 519 2HD LYS 63 1HD LYS 63 13.803 -15.872 -8.303 520 1HE LYS 63 2HE LYS 63 13.001 -17.971 -8.180 521 2HE LYS 63 1HE LYS 63 12.592 -17.668 -6.491 522 1HZ LYS 63 1HZ LYS 63 10.888 -17.620 -8.854 523 2HZ LYS 63 2HZ LYS 63 10.563 -16.460 -7.656 524 3HZ LYS 63 3HZ LYS 63 10.534 -18.115 -7.271 525 H GLY 64 H GLY 64 14.428 -11.020 -7.482 526 1HA GLY 64 2HA GLY 64 14.555 -11.060 -10.388 527 2HA GLY 64 1HA GLY 64 12.905 -10.873 -9.794 528 H GLU 65 H GLU 65 15.918 -9.284 -10.311 529 HA GLU 65 HA GLU 65 14.741 -6.682 -9.939 530 1HB GLU 65 2HB GLU 65 16.152 -5.964 -8.012 531 2HB GLU 65 1HB GLU 65 14.982 -7.204 -7.562 532 1HG GLU 65 2HG GLU 65 16.691 -8.443 -6.782 533 2HG GLU 65 1HG GLU 65 17.262 -8.605 -8.443 534 H ARG 66 H ARG 66 15.952 -5.217 -11.090 535 HA ARG 66 HA ARG 66 18.472 -6.216 -12.281 536 1HB ARG 66 2HB ARG 66 16.455 -4.956 -13.475 537 2HB ARG 66 1HB ARG 66 17.330 -3.525 -12.928 538 1HG ARG 66 2HG ARG 66 18.294 -3.920 -15.027 539 2HG ARG 66 1HG ARG 66 19.421 -4.729 -13.938 540 1HD ARG 66 2HD ARG 66 17.920 -6.824 -14.313 541 2HD ARG 66 1HD ARG 66 17.328 -5.949 -15.725 542 HE ARG 66 HE ARG 66 20.219 -5.987 -15.660 543 1HH1 ARG 66 2HH1 ARG 66 21.297 -7.498 -16.960 544 2HH1 ARG 66 1HH1 ARG 66 20.371 -8.653 -17.860 545 1HH2 ARG 66 2HH2 ARG 66 18.126 -8.726 -17.635 546 2HH2 ARG 66 1HH2 ARG 66 17.326 -7.627 -16.562 547 H VAL 67 H VAL 67 19.316 -3.322 -12.684 548 HA VAL 67 HA VAL 67 19.989 -2.479 -9.939 549 HB VAL 67 HB VAL 67 22.454 -2.397 -10.573 550 1HG1 VAL 67 1HG1 VAL 67 21.071 -4.270 -9.254 551 2HG1 VAL 67 2HG1 VAL 67 22.791 -4.461 -9.595 552 3HG1 VAL 67 3HG1 VAL 67 21.595 -5.257 -10.619 553 1HG2 VAL 67 1HG2 VAL 67 23.187 -3.879 -12.373 554 2HG2 VAL 67 2HG2 VAL 67 22.055 -2.693 -13.024 555 3HG2 VAL 67 3HG2 VAL 67 21.519 -4.342 -12.706 556 H ASN 68 H ASN 68 18.420 -0.921 -11.306 557 HA ASN 68 HA ASN 68 19.720 1.531 -11.652 558 1HB ASN 68 2HB ASN 68 20.006 -0.248 -13.961 559 2HB ASN 68 1HB ASN 68 19.280 1.305 -14.380 560 1HD2 ASN 68 1HD2 ASN 68 20.556 3.082 -12.673 561 2HD2 ASN 68 2HD2 ASN 68 22.230 3.070 -12.950 562 H GLU 69 H GLU 69 18.300 2.873 -13.507 563 HA GLU 69 HA GLU 69 15.802 3.352 -12.447 564 1HB GLU 69 2HB GLU 69 16.340 3.376 -15.428 565 2HB GLU 69 1HB GLU 69 15.179 4.367 -14.545 566 1HG GLU 69 2HG GLU 69 17.673 4.782 -13.285 567 2HG GLU 69 1HG GLU 69 17.982 4.865 -15.019 568 H ASP 70 H ASP 70 16.674 0.767 -14.700 569 HA ASP 70 HA ASP 70 13.959 -0.085 -15.191 570 1HB ASP 70 2HB ASP 70 16.403 -1.856 -15.284 571 2HB ASP 70 1HB ASP 70 14.907 -2.021 -16.203 572 H TYR 71 H TYR 71 16.507 -1.209 -12.956 573 HA TYR 71 HA TYR 71 15.529 -3.364 -11.651 574 1HB TYR 71 2HB TYR 71 17.398 -2.348 -10.630 575 2HB TYR 71 1HB TYR 71 16.592 -0.789 -10.501 576 HD1 TYR 71 HD1 TYR 71 16.348 -0.206 -8.278 577 HD2 TYR 71 HD2 TYR 71 15.583 -4.263 -9.465 578 HE1 TYR 71 HE1 TYR 71 15.608 -0.734 -5.972 579 HE2 TYR 71 HE2 TYR 71 14.844 -4.795 -7.152 580 HH TYR 71 HH TYR 71 13.842 -2.855 -5.051 581 H LEU 72 H LEU 72 14.292 -0.096 -11.131 582 HA LEU 72 HA LEU 72 12.391 -0.778 -9.200 583 1HB LEU 72 2HB LEU 72 11.966 1.380 -11.238 584 2HB LEU 72 1HB LEU 72 11.432 1.345 -9.558 585 HG LEU 72 HG LEU 72 14.255 1.639 -10.587 586 1HD1 LEU 72 1HD1 LEU 72 13.071 3.700 -10.497 587 2HD1 LEU 72 2HD1 LEU 72 14.062 3.648 -9.042 588 3HD1 LEU 72 3HD1 LEU 72 12.339 3.292 -8.948 589 1HD2 LEU 72 1HD2 LEU 72 15.074 1.323 -8.406 590 2HD2 LEU 72 2HD2 LEU 72 13.896 0.029 -8.564 591 3HD2 LEU 72 3HD2 LEU 72 13.481 1.496 -7.687 592 H ARG 73 H ARG 73 11.895 -0.337 -12.680 593 HA ARG 73 HA ARG 73 9.152 -1.307 -12.501 594 1HB ARG 73 2HB ARG 73 10.871 -1.327 -15.001 595 2HB ARG 73 1HB ARG 73 9.116 -1.184 -14.896 596 1HG ARG 73 2HG ARG 73 9.313 1.054 -14.821 597 2HG ARG 73 1HG ARG 73 10.232 0.909 -13.322 598 1HD ARG 73 2HD ARG 73 11.460 2.119 -15.159 599 2HD ARG 73 1HD ARG 73 12.312 0.706 -14.538 600 HE ARG 73 HE ARG 73 11.751 -0.474 -16.585 601 1HH1 ARG 73 2HH1 ARG 73 9.277 1.584 -16.712 602 2HH1 ARG 73 1HH1 ARG 73 9.607 2.267 -18.269 603 1HH2 ARG 73 1HH2 ARG 73 12.800 0.924 -18.474 604 2HH2 ARG 73 2HH2 ARG 73 11.602 1.891 -19.269 605 H GLN 74 H GLN 74 12.147 -2.837 -12.387 606 HA GLN 74 HA GLN 74 11.057 -5.406 -13.364 607 1HB GLN 74 2HB GLN 74 13.462 -4.482 -13.922 608 2HB GLN 74 1HB GLN 74 13.855 -4.998 -12.286 609 1HG GLN 74 2HG GLN 74 14.355 -6.954 -13.383 610 2HG GLN 74 1HG GLN 74 12.636 -7.236 -13.118 611 1HE2 GLN 74 1HE2 GLN 74 11.966 -5.063 -15.163 612 2HE2 GLN 74 2HE2 GLN 74 12.233 -5.799 -16.668 613 H ALA 75 H ALA 75 11.281 -3.558 -10.640 614 HA ALA 75 HA ALA 75 11.572 -5.780 -8.715 615 1HB ALA 75 1HB ALA 75 10.930 -3.294 -7.454 616 2HB ALA 75 2HB ALA 75 12.099 -2.946 -8.728 617 3HB ALA 75 3HB ALA 75 12.490 -4.117 -7.469 618 H PHE 76 H PHE 76 9.359 -3.079 -9.335 619 HA PHE 76 HA PHE 76 7.161 -4.523 -7.989 620 1HB PHE 76 2HB PHE 76 6.432 -2.437 -7.422 621 2HB PHE 76 1HB PHE 76 8.014 -1.901 -7.933 622 HD1 PHE 76 HD1 PHE 76 8.097 -1.793 -10.714 623 HD2 PHE 76 HD2 PHE 76 4.696 -1.136 -8.183 624 HE1 PHE 76 HE1 PHE 76 7.024 -0.457 -12.497 625 HE2 PHE 76 HE2 PHE 76 3.620 0.208 -9.958 626 HZ PHE 76 HZ PHE 76 4.788 0.546 -12.137 627 H ARG 77 H ARG 77 8.214 -5.251 -10.723 628 HA ARG 77 HA ARG 77 5.584 -5.242 -12.067 629 1HB ARG 77 2HB ARG 77 7.619 -3.370 -12.709 630 2HB ARG 77 1HB ARG 77 7.555 -4.521 -14.031 631 1HG ARG 77 2HG ARG 77 5.004 -4.214 -13.986 632 2HG ARG 77 1HG ARG 77 5.304 -2.815 -12.952 633 1HD ARG 77 2HD ARG 77 6.989 -2.101 -14.810 634 2HD ARG 77 1HD ARG 77 6.105 -3.241 -15.824 635 HE ARG 77 HE ARG 77 4.683 -1.021 -14.416 636 1HH1 ARG 77 2HH1 ARG 77 2.765 -2.474 -15.840 637 2HH1 ARG 77 1HH1 ARG 77 2.815 -1.874 -17.464 638 1HH2 ARG 77 2HH2 ARG 77 4.611 -0.702 -18.181 639 2HH2 ARG 77 1HH2 ARG 77 5.935 -0.403 -17.106 640 H GLU 78 H GLU 78 9.024 -6.139 -12.295 641 HA GLU 78 HA GLU 78 8.811 -8.129 -14.265 642 1HB GLU 78 2HB GLU 78 10.968 -8.657 -13.688 643 2HB GLU 78 1HB GLU 78 10.835 -7.157 -12.781 644 1HG GLU 78 2HG GLU 78 11.677 -8.656 -11.181 645 2HG GLU 78 1HG GLU 78 9.944 -8.675 -10.854 646 H LEU 79 H LEU 79 7.545 -8.114 -11.063 647 HA LEU 79 HA LEU 79 7.229 -11.057 -11.013 648 1HB LEU 79 2HB LEU 79 6.369 -8.945 -9.021 649 2HB LEU 79 1HB LEU 79 6.269 -10.685 -8.770 650 HG LEU 79 HG LEU 79 8.874 -10.479 -9.464 651 1HD1 LEU 79 1HD1 LEU 79 8.225 -7.844 -9.348 652 2HD1 LEU 79 2HD1 LEU 79 9.837 -8.461 -8.986 653 3HD1 LEU 79 3HD1 LEU 79 8.708 -8.120 -7.675 654 1HD2 LEU 79 1HD2 LEU 79 8.789 -11.532 -7.463 655 2HD2 LEU 79 2HD2 LEU 79 7.333 -10.658 -6.990 656 3HD2 LEU 79 3HD2 LEU 79 8.919 -9.935 -6.725 657 H ASP 80 H ASP 80 4.933 -8.380 -10.307 658 HA ASP 80 HA ASP 80 3.080 -8.817 -12.345 659 1HB ASP 80 2HB ASP 80 1.450 -10.328 -10.985 660 2HB ASP 80 1HB ASP 80 2.771 -11.086 -11.885 661 H LEU 81 H LEU 81 3.152 -8.634 -8.800 662 HA LEU 81 HA LEU 81 2.335 -6.935 -7.420 663 1HB LEU 81 2HB LEU 81 0.804 -5.788 -9.746 664 2HB LEU 81 1HB LEU 81 1.380 -4.987 -8.294 665 HG LEU 81 HG LEU 81 2.882 -5.680 -10.781 666 1HD1 LEU 81 1HD1 LEU 81 3.125 -3.450 -10.825 667 2HD1 LEU 81 2HD1 LEU 81 3.821 -3.450 -9.204 668 3HD1 LEU 81 3HD1 LEU 81 2.072 -3.359 -9.412 669 1HD2 LEU 81 1HD2 LEU 81 4.534 -6.697 -9.585 670 2HD2 LEU 81 2HD2 LEU 81 3.871 -6.156 -8.047 671 3HD2 LEU 81 3HD2 LEU 81 4.890 -5.081 -8.985 672 H ASP 82 H ASP 82 1.249 -9.417 -7.526 673 HA ASP 82 HA ASP 82 -1.508 -8.853 -6.782 674 1HB ASP 82 2HB ASP 82 -2.434 -10.673 -8.270 675 2HB ASP 82 1HB ASP 82 -1.917 -9.214 -9.115 676 H VAL 83 H VAL 83 1.178 -11.079 -6.918 677 HA VAL 83 HA VAL 83 0.220 -12.329 -4.452 678 HB VAL 83 HB VAL 83 0.505 -14.660 -5.527 679 1HG1 VAL 83 1HG1 VAL 83 -1.804 -14.783 -5.884 680 2HG1 VAL 83 2HG1 VAL 83 -1.875 -13.180 -6.616 681 3HG1 VAL 83 3HG1 VAL 83 -1.668 -13.346 -4.872 682 1HG2 VAL 83 1HG2 VAL 83 -0.483 -13.751 -8.084 683 2HG2 VAL 83 2HG2 VAL 83 0.918 -14.766 -7.740 684 3HG2 VAL 83 3HG2 VAL 83 1.083 -13.012 -7.753 685 H ASP 84 H ASP 84 2.638 -12.259 -7.038 686 HA ASP 84 HA ASP 84 4.643 -13.746 -5.604 687 1HB ASP 84 2HB ASP 84 4.729 -11.820 -7.917 688 2HB ASP 84 1HB ASP 84 6.208 -12.479 -7.223 689 H ILE 85 H ILE 85 3.779 -10.332 -5.688 690 HA ILE 85 HA ILE 85 6.072 -9.716 -3.891 691 HB ILE 85 HB ILE 85 4.755 -7.333 -4.229 692 1HG1 ILE 85 2HG1 ILE 85 3.224 -8.575 -5.860 693 2HG1 ILE 85 1HG1 ILE 85 3.997 -7.124 -6.483 694 1HG2 ILE 85 1HG2 ILE 85 7.169 -8.606 -5.109 695 2HG2 ILE 85 2HG2 ILE 85 6.866 -6.889 -4.839 696 3HG2 ILE 85 3HG2 ILE 85 6.540 -7.603 -6.418 697 1HD1 ILE 85 1HD1 ILE 85 4.899 -8.334 -8.138 698 2HD1 ILE 85 2HD1 ILE 85 4.196 -9.806 -7.472 699 3HD1 ILE 85 3HD1 ILE 85 5.793 -9.278 -6.948 700 H SER 86 H SER 86 3.238 -11.032 -3.389 701 HA SER 86 HA SER 86 2.042 -9.239 -1.449 702 1HB SER 86 2HB SER 86 0.825 -11.068 -2.747 703 2HB SER 86 1HB SER 86 1.604 -12.226 -1.673 704 HG SER 86 HG SER 86 0.345 -10.028 -0.512 705 H THR 87 H THR 87 1.632 -10.388 0.815 706 HA THR 87 HA THR 87 4.338 -10.965 1.922 707 HB THR 87 HB THR 87 1.766 -10.084 3.280 708 HG1 THR 87 HG1 THR 87 2.639 -8.345 2.329 709 1HG2 THR 87 1HG2 THR 87 3.815 -9.697 5.066 710 2HG2 THR 87 2HG2 THR 87 4.285 -11.214 4.300 711 3HG2 THR 87 3HG2 THR 87 2.713 -11.075 5.087 712 H LEU 88 H LEU 88 2.542 -12.819 0.469 713 HA LEU 88 HA LEU 88 2.012 -14.778 2.654 714 1HB LEU 88 2HB LEU 88 0.744 -15.308 0.063 715 2HB LEU 88 1HB LEU 88 0.038 -15.276 1.672 716 HG LEU 88 HG LEU 88 0.738 -12.757 0.166 717 1HD1 LEU 88 1HD1 LEU 88 -1.220 -14.586 -0.588 718 2HD1 LEU 88 2HD1 LEU 88 -1.176 -12.877 -1.022 719 3HD1 LEU 88 3HD1 LEU 88 -2.098 -13.407 0.384 720 1HD2 LEU 88 1HD2 LEU 88 -1.447 -12.503 1.970 721 2HD2 LEU 88 2HD2 LEU 88 0.163 -11.800 2.124 722 3HD2 LEU 88 3HD2 LEU 88 -0.176 -13.385 2.819 723 H LEU 89 H LEU 89 3.928 -14.098 -0.078 724 HA LEU 89 HA LEU 89 4.437 -16.926 -0.736 725 1HB LEU 89 2HB LEU 89 4.426 -15.230 -2.533 726 2HB LEU 89 1HB LEU 89 5.759 -14.387 -1.744 727 HG LEU 89 HG LEU 89 7.249 -16.235 -2.096 728 1HD1 LEU 89 1HD1 LEU 89 6.225 -18.260 -3.415 729 2HD1 LEU 89 2HD1 LEU 89 4.699 -17.693 -2.738 730 3HD1 LEU 89 3HD1 LEU 89 6.014 -18.175 -1.666 731 1HD2 LEU 89 1HD2 LEU 89 7.356 -16.287 -4.484 732 2HD2 LEU 89 2HD2 LEU 89 6.624 -14.735 -4.078 733 3HD2 LEU 89 3HD2 LEU 89 5.613 -16.066 -4.636 734 H ARG 90 H ARG 90 6.467 -14.168 0.338 735 HA ARG 90 HA ARG 90 8.490 -14.177 1.531 736 1HB ARG 90 2HB ARG 90 6.969 -14.739 3.358 737 2HB ARG 90 1HB ARG 90 7.025 -16.445 2.915 738 1HG ARG 90 2HG ARG 90 9.154 -16.736 3.754 739 2HG ARG 90 1HG ARG 90 9.624 -15.068 3.424 740 1HD ARG 90 2HD ARG 90 9.439 -15.264 5.809 741 2HD ARG 90 1HD ARG 90 8.019 -14.369 5.266 742 HE ARG 90 HE ARG 90 7.013 -16.865 5.286 743 1HH1 ARG 90 2HH1 ARG 90 7.957 -18.570 6.911 744 2HH1 ARG 90 1HH1 ARG 90 7.910 -18.000 8.545 745 1HH2 ARG 90 2HH2 ARG 90 7.617 -15.799 8.966 746 2HH2 ARG 90 1HH2 ARG 90 7.439 -14.682 7.653 747 H ASN 91 HN ASN 91 8.172 -17.626 2.076 748 HA ASN 91 HA ASN 91 10.768 -18.146 0.941 749 1HB ASN 91 2HB ASN 91 10.089 -20.565 1.220 750 2HB ASN 91 1HB ASN 91 9.949 -19.598 2.689 751 1HD2 ASN 91 1HD2 ASN 91 8.193 -20.774 3.644 752 2HD2 ASN 91 2HD2 ASN 91 6.644 -20.835 2.949 Start of MODEL 6 1 1H GLY 1 1H GLY 1 5.950 8.333 12.160 2 2H GLY 1 2H GLY 1 7.280 8.054 13.180 3 3H GLY 1 3H GLY 1 6.171 9.287 13.547 4 1HA GLY 1 1HA GLY 1 5.048 6.662 13.389 5 2HA GLY 1 2HA GLY 1 6.153 6.896 14.777 6 H SER 2 H SER 2 3.780 8.642 12.576 7 HA SER 2 HA SER 2 1.491 7.978 14.333 8 1HB SER 2 2HB SER 2 0.966 10.597 14.050 9 2HB SER 2 1HB SER 2 1.876 9.968 15.421 10 HG SER 2 HG SER 2 3.124 10.718 12.998 11 H ARG 3 H ARG 3 -0.353 7.719 13.127 12 HA ARG 3 HA ARG 3 -0.173 8.437 10.239 13 1HB ARG 3 2HB ARG 3 -1.357 6.208 11.756 14 2HB ARG 3 1HB ARG 3 -2.416 6.862 10.505 15 1HG ARG 3 2HG ARG 3 -0.679 6.574 8.820 16 2HG ARG 3 1HG ARG 3 0.467 6.042 10.051 17 1HD ARG 3 2HD ARG 3 -0.287 3.930 9.890 18 2HD ARG 3 1HD ARG 3 -1.929 4.464 10.251 19 HE ARG 3 HE ARG 3 -1.117 3.589 7.717 20 1HH1 ARG 3 2HH1 ARG 3 -3.767 4.937 8.883 21 2HH1 ARG 3 1HH1 ARG 3 -4.080 6.050 7.594 22 1HH2 ARG 3 1HH2 ARG 3 -0.955 5.662 6.145 23 2HH2 ARG 3 2HH2 ARG 3 -2.489 6.460 6.045 24 H ILE 4 H ILE 4 -0.745 10.521 12.042 25 HA ILE 4 HA ILE 4 -3.615 10.919 12.265 26 HB ILE 4 HB ILE 4 -2.838 13.349 12.724 27 1HG1 ILE 4 2HG1 ILE 4 -0.164 12.351 13.383 28 2HG1 ILE 4 1HG1 ILE 4 -0.480 12.349 11.647 29 1HG2 ILE 4 1HG2 ILE 4 -1.947 12.660 14.980 30 2HG2 ILE 4 2HG2 ILE 4 -1.932 10.994 14.403 31 3HG2 ILE 4 3HG2 ILE 4 -3.458 11.866 14.533 32 1HD1 ILE 4 1HD1 ILE 4 -1.404 14.750 12.042 33 2HD1 ILE 4 2HD1 ILE 4 0.344 14.517 12.027 34 3HD1 ILE 4 3HD1 ILE 4 -0.511 14.675 13.562 35 H ALA 5 H ALA 5 -1.592 10.968 9.657 36 HA ALA 5 HA ALA 5 -2.658 13.294 8.266 37 1HB ALA 5 1HB ALA 5 -0.526 12.674 7.500 38 2HB ALA 5 2HB ALA 5 -1.587 12.022 6.250 39 3HB ALA 5 3HB ALA 5 -0.926 10.956 7.491 40 H LYS 6 H LYS 6 -3.800 12.945 6.093 41 HA LYS 6 HA LYS 6 -5.988 10.989 6.519 42 1HB LYS 6 2HB LYS 6 -5.748 13.637 5.238 43 2HB LYS 6 1HB LYS 6 -6.719 12.477 4.330 44 1HG LYS 6 2HG LYS 6 -7.429 12.200 7.071 45 2HG LYS 6 1HG LYS 6 -7.436 13.925 6.701 46 1HD LYS 6 2HD LYS 6 -8.624 12.417 4.530 47 2HD LYS 6 1HD LYS 6 -9.436 12.056 6.054 48 1HE LYS 6 2HE LYS 6 -10.561 13.965 5.170 49 2HE LYS 6 1HE LYS 6 -9.514 14.581 6.449 50 1HZ LYS 6 1HZ LYS 6 -9.527 15.706 4.127 51 2HZ LYS 6 2HZ LYS 6 -8.495 14.427 3.697 52 3HZ LYS 6 3HZ LYS 6 -8.060 15.490 4.949 53 H ARG 7 H ARG 7 -6.606 9.577 4.795 54 HA ARG 7 HA ARG 7 -4.328 8.768 3.107 55 1HB ARG 7 2HB ARG 7 -5.907 6.862 2.498 56 2HB ARG 7 1HB ARG 7 -5.447 6.957 4.199 57 1HG ARG 7 2HG ARG 7 -7.536 7.801 4.851 58 2HG ARG 7 1HG ARG 7 -7.926 8.356 3.223 59 1HD ARG 7 2HD ARG 7 -8.778 6.344 2.622 60 2HD ARG 7 1HD ARG 7 -7.451 5.463 3.377 61 HE ARG 7 HE ARG 7 -9.009 5.015 5.080 62 1HH1 ARG 7 2HH1 ARG 7 -8.965 7.011 6.875 63 2HH1 ARG 7 1HH1 ARG 7 -10.394 7.967 6.667 64 1HH2 ARG 7 2HH2 ARG 7 -11.577 7.826 4.748 65 2HH2 ARG 7 1HH2 ARG 7 -11.056 6.762 3.485 66 H THR 8 H THR 8 -6.181 11.213 2.646 67 HA THR 8 HA THR 8 -7.217 10.509 -0.052 68 HB THR 8 HB THR 8 -7.527 13.037 1.593 69 HG1 THR 8 HG1 THR 8 -9.287 10.884 1.047 70 1HG2 THR 8 1HG2 THR 8 -9.499 13.229 -0.153 71 2HG2 THR 8 2HG2 THR 8 -8.453 12.198 -1.130 72 3HG2 THR 8 3HG2 THR 8 -7.877 13.773 -0.582 73 H ALA 9 H ALA 9 -4.308 11.090 0.940 74 HA ALA 9 HA ALA 9 -3.460 13.503 -0.362 75 1HB ALA 9 1HB ALA 9 -1.953 10.974 0.348 76 2HB ALA 9 2HB ALA 9 -2.021 12.469 1.281 77 3HB ALA 9 3HB ALA 9 -1.181 12.435 -0.269 78 H ILE 10 H ILE 10 -1.482 12.925 -2.120 79 HA ILE 10 HA ILE 10 -3.001 11.981 -4.464 80 HB ILE 10 HB ILE 10 -0.235 13.205 -4.255 81 1HG1 ILE 10 2HG1 ILE 10 -1.824 15.039 -5.492 82 2HG1 ILE 10 1HG1 ILE 10 -2.984 14.304 -4.385 83 1HG2 ILE 10 1HG2 ILE 10 -1.236 11.730 -6.334 84 2HG2 ILE 10 2HG2 ILE 10 -0.055 13.028 -6.516 85 3HG2 ILE 10 3HG2 ILE 10 -1.769 13.353 -6.773 86 1HD1 ILE 10 1HD1 ILE 10 -0.740 14.605 -2.799 87 2HD1 ILE 10 2HD1 ILE 10 -2.123 15.698 -2.822 88 3HD1 ILE 10 3HD1 ILE 10 -0.702 16.053 -3.804 89 H ASN 11 H ASN 11 0.474 11.534 -3.923 90 HA ASN 11 HA ASN 11 1.727 9.530 -3.695 91 1HB ASN 11 2HB ASN 11 -0.385 8.506 -2.666 92 2HB ASN 11 1HB ASN 11 -0.789 7.965 -4.293 93 1HD2 ASN 11 1HD2 ASN 11 2.456 8.124 -2.742 94 2HD2 ASN 11 2HD2 ASN 11 2.773 6.467 -2.905 95 H LYS 12 H LYS 12 2.993 9.638 -5.504 96 HA LYS 12 HA LYS 12 3.532 9.621 -7.812 97 1HB LYS 12 2HB LYS 12 2.461 7.031 -6.923 98 2HB LYS 12 1HB LYS 12 2.405 7.258 -8.671 99 1HG LYS 12 2HG LYS 12 4.554 6.353 -8.296 100 2HG LYS 12 1HG LYS 12 4.843 8.086 -8.440 101 1HD LYS 12 2HD LYS 12 5.530 8.259 -6.294 102 2HD LYS 12 1HD LYS 12 4.192 7.272 -5.704 103 1HE LYS 12 2HE LYS 12 5.446 5.252 -6.624 104 2HE LYS 12 1HE LYS 12 6.830 6.323 -6.842 105 1HZ LYS 12 1HZ LYS 12 7.311 5.919 -4.731 106 2HZ LYS 12 2HZ LYS 12 5.831 5.129 -4.458 107 3HZ LYS 12 3HZ LYS 12 5.939 6.818 -4.300 108 H THR 13 H THR 13 2.089 11.418 -8.414 109 HA THR 13 HA THR 13 -0.591 11.392 -9.050 110 HB THR 13 HB THR 13 1.575 12.566 -10.820 111 HG1 THR 13 HG1 THR 13 1.798 13.269 -8.706 112 1HG2 THR 13 1HG2 THR 13 -0.677 12.534 -11.837 113 2HG2 THR 13 2HG2 THR 13 -0.175 14.179 -11.445 114 3HG2 THR 13 3HG2 THR 13 -1.328 13.338 -10.409 115 H LYS 14 H LYS 14 -1.802 10.891 -11.004 116 HA LYS 14 HA LYS 14 -1.518 8.361 -12.072 117 1HB LYS 14 2HB LYS 14 -2.908 10.809 -12.872 118 2HB LYS 14 1HB LYS 14 -2.476 9.796 -14.252 119 1HG LYS 14 2HG LYS 14 -4.462 8.773 -13.691 120 2HG LYS 14 1HG LYS 14 -3.391 7.876 -12.614 121 1HD LYS 14 2HD LYS 14 -4.897 8.554 -11.030 122 2HD LYS 14 1HD LYS 14 -3.913 10.018 -11.048 123 1HE LYS 14 2HE LYS 14 -5.497 11.236 -12.177 124 2HE LYS 14 1HE LYS 14 -6.080 9.838 -13.081 125 1HZ LYS 14 1HZ LYS 14 -6.664 9.262 -10.476 126 2HZ LYS 14 2HZ LYS 14 -7.763 9.804 -11.654 127 3HZ LYS 14 3HZ LYS 14 -7.016 10.915 -10.608 128 H LYS 15 H LYS 15 -0.245 11.353 -13.577 129 HA LYS 15 HA LYS 15 1.187 9.962 -15.649 130 1HB LYS 15 2HB LYS 15 0.768 12.673 -14.842 131 2HB LYS 15 1HB LYS 15 2.507 12.416 -14.992 132 1HG LYS 15 2HG LYS 15 0.551 11.524 -17.119 133 2HG LYS 15 1HG LYS 15 1.294 13.125 -17.128 134 1HD LYS 15 2HD LYS 15 3.450 11.435 -16.695 135 2HD LYS 15 1HD LYS 15 2.457 10.534 -17.841 136 1HE LYS 15 2HE LYS 15 2.530 13.310 -18.610 137 2HE LYS 15 1HE LYS 15 4.177 12.714 -18.400 138 1HZ LYS 15 1HZ LYS 15 3.581 10.807 -19.811 139 2HZ LYS 15 2HZ LYS 15 3.453 12.289 -20.630 140 3HZ LYS 15 3HZ LYS 15 2.055 11.496 -20.082 141 H ALA 16 H ALA 16 1.991 10.974 -12.366 142 HA ALA 16 HA ALA 16 4.775 10.066 -12.652 143 1HB ALA 16 1HB ALA 16 4.452 11.991 -11.246 144 2HB ALA 16 2HB ALA 16 4.872 10.647 -10.185 145 3HB ALA 16 3HB ALA 16 3.193 11.173 -10.321 146 H ASP 17 H ASP 17 2.154 8.346 -12.674 147 HA ASP 17 HA ASP 17 2.528 6.551 -10.399 148 1HB ASP 17 2HB ASP 17 0.304 6.759 -11.265 149 2HB ASP 17 1HB ASP 17 0.845 6.428 -12.911 150 H VAL 18 H VAL 18 3.210 6.411 -13.907 151 HA VAL 18 HA VAL 18 4.739 3.902 -13.421 152 HB VAL 18 HB VAL 18 4.267 5.057 -16.149 153 1HG1 VAL 18 1HG1 VAL 18 3.907 2.435 -16.403 154 2HG1 VAL 18 2HG1 VAL 18 4.820 2.399 -14.895 155 3HG1 VAL 18 3HG1 VAL 18 5.529 3.126 -16.337 156 1HG2 VAL 18 1HG2 VAL 18 2.212 4.242 -14.238 157 2HG2 VAL 18 2HG2 VAL 18 2.181 3.261 -15.703 158 3HG2 VAL 18 3HG2 VAL 18 2.029 5.015 -15.813 159 H LYS 19 H LYS 19 5.160 7.273 -14.093 160 HA LYS 19 HA LYS 19 7.886 6.888 -15.142 161 1HB LYS 19 2HB LYS 19 7.946 9.215 -15.511 162 2HB LYS 19 1HB LYS 19 6.250 8.816 -15.775 163 1HG LYS 19 2HG LYS 19 5.765 10.392 -14.243 164 2HG LYS 19 1HG LYS 19 6.412 9.287 -13.035 165 1HD LYS 19 2HD LYS 19 8.726 10.335 -13.912 166 2HD LYS 19 1HD LYS 19 7.659 11.697 -14.252 167 1HE LYS 19 2HE LYS 19 7.641 12.249 -12.073 168 2HE LYS 19 1HE LYS 19 6.996 10.658 -11.666 169 1HZ LYS 19 1HZ LYS 19 9.637 11.669 -11.336 170 2HZ LYS 19 2HZ LYS 19 9.644 10.233 -12.245 171 3HZ LYS 19 3HZ LYS 19 8.938 10.262 -10.700 172 H ALA 20 H ALA 20 6.271 7.489 -12.124 173 HA ALA 20 HA ALA 20 8.660 8.346 -10.684 174 1HB ALA 20 1HB ALA 20 6.403 8.934 -9.868 175 2HB ALA 20 2HB ALA 20 7.275 7.978 -8.669 176 3HB ALA 20 3HB ALA 20 6.032 7.222 -9.665 177 H ILE 21 H ILE 21 6.891 5.298 -11.153 178 HA ILE 21 HA ILE 21 8.364 3.672 -9.382 179 HB ILE 21 HB ILE 21 7.276 3.014 -12.138 180 1HG1 ILE 21 2HG1 ILE 21 5.259 2.818 -11.147 181 2HG1 ILE 21 1HG1 ILE 21 5.927 1.728 -9.941 182 1HG2 ILE 21 1HG2 ILE 21 9.058 1.525 -10.521 183 2HG2 ILE 21 2HG2 ILE 21 8.205 0.984 -11.963 184 3HG2 ILE 21 3HG2 ILE 21 7.479 0.764 -10.371 185 1HD1 ILE 21 1HD1 ILE 21 6.693 3.757 -8.645 186 2HD1 ILE 21 2HD1 ILE 21 4.943 3.604 -8.781 187 3HD1 ILE 21 3HD1 ILE 21 5.807 4.755 -9.796 188 H ALA 22 H ALA 22 9.408 5.290 -12.265 189 HA ALA 22 HA ALA 22 11.823 3.582 -12.474 190 1HB ALA 22 1HB ALA 22 12.305 5.367 -14.349 191 2HB ALA 22 2HB ALA 22 10.590 5.737 -14.161 192 3HB ALA 22 3HB ALA 22 11.096 4.112 -14.624 193 H ASP 23 H ASP 23 11.154 7.097 -12.116 194 HA ASP 23 HA ASP 23 13.906 7.453 -11.067 195 1HB ASP 23 2HB ASP 23 12.731 8.988 -12.793 196 2HB ASP 23 1HB ASP 23 11.860 9.636 -11.403 197 H ALA 24 H ALA 24 11.488 6.216 -9.530 198 HA ALA 24 HA ALA 24 11.223 8.183 -7.335 199 1HB ALA 24 1HB ALA 24 9.159 7.166 -8.009 200 2HB ALA 24 2HB ALA 24 9.571 6.540 -6.412 201 3HB ALA 24 3HB ALA 24 9.847 5.551 -7.846 202 H TRP 25 H TRP 25 12.165 4.756 -7.623 203 HA TRP 25 HA TRP 25 13.236 4.969 -4.877 204 1HB TRP 25 2HB TRP 25 13.489 2.339 -6.111 205 2HB TRP 25 1HB TRP 25 12.676 2.812 -4.634 206 HD1 TRP 25 HD1 TRP 25 10.470 4.768 -6.070 207 HE1 TRP 25 HE1 TRP 25 8.582 3.692 -7.412 208 HE3 TRP 25 HE3 TRP 25 12.433 0.114 -6.863 209 HZ2 TRP 25 HZ2 TRP 25 7.976 1.213 -8.649 210 HZ3 TRP 25 HZ3 TRP 25 11.146 -1.565 -8.124 211 HH2 TRP 25 HH2 TRP 25 8.933 -1.009 -9.026 212 H GLN 26 H GLN 26 15.132 2.631 -5.570 213 HA GLN 26 HA GLN 26 17.473 4.241 -5.934 214 1HB GLN 26 2HB GLN 26 17.267 1.899 -4.867 215 2HB GLN 26 1HB GLN 26 17.356 1.283 -6.517 216 1HG GLN 26 2HG GLN 26 19.606 1.340 -6.179 217 2HG GLN 26 1HG GLN 26 19.432 3.065 -6.509 218 1HE2 GLN 26 1HE2 GLN 26 20.518 4.266 -4.954 219 2HE2 GLN 26 2HE2 GLN 26 20.604 3.883 -3.302 220 H ILE 27 H ILE 27 16.925 5.430 -7.913 221 HA ILE 27 HA ILE 27 17.335 3.803 -10.378 222 HB ILE 27 HB ILE 27 15.438 4.742 -11.148 223 1HG1 ILE 27 2HG1 ILE 27 17.218 6.483 -11.947 224 2HG1 ILE 27 1HG1 ILE 27 15.513 6.902 -12.070 225 1HG2 ILE 27 1HG2 ILE 27 14.867 5.055 -8.723 226 2HG2 ILE 27 2HG2 ILE 27 14.074 6.206 -9.785 227 3HG2 ILE 27 3HG2 ILE 27 15.471 6.698 -8.849 228 1HD1 ILE 27 1HD1 ILE 27 16.923 7.590 -9.527 229 2HD1 ILE 27 2HD1 ILE 27 15.623 8.445 -10.356 230 3HD1 ILE 27 3HD1 ILE 27 17.277 8.566 -10.951 231 H ASN 28 H ASN 28 18.252 6.610 -8.512 232 HA ASN 28 HA ASN 28 20.760 6.768 -10.061 233 1HB ASN 28 2HB ASN 28 19.129 8.423 -11.080 234 2HB ASN 28 1HB ASN 28 19.127 9.261 -9.525 235 1HD2 ASN 28 1HD2 ASN 28 20.702 10.849 -9.312 236 2HD2 ASN 28 2HD2 ASN 28 22.146 10.918 -10.198 237 H GLY 29 H GLY 29 18.897 8.388 -7.484 238 1HA GLY 29 2HA GLY 29 19.867 7.947 -5.147 239 2HA GLY 29 1HA GLY 29 21.405 8.430 -5.871 240 H GLU 30 H GLU 30 20.297 10.492 -7.547 241 HA GLU 30 HA GLU 30 19.693 12.507 -5.441 242 1HB GLU 30 2HB GLU 30 21.785 12.970 -6.600 243 2HB GLU 30 1HB GLU 30 20.979 12.839 -8.164 244 1HG GLU 30 2HG GLU 30 20.209 14.959 -8.047 245 2HG GLU 30 1HG GLU 30 19.631 14.729 -6.396 246 H LYS 31 H LYS 31 18.569 11.038 -8.369 247 HA LYS 31 HA LYS 31 16.509 13.110 -8.805 248 1HB LYS 31 2HB LYS 31 17.211 10.530 -10.226 249 2HB LYS 31 1HB LYS 31 15.800 11.497 -10.654 250 1HG LYS 31 2HG LYS 31 17.479 12.286 -12.114 251 2HG LYS 31 1HG LYS 31 17.460 13.478 -10.815 252 1HD LYS 31 2HD LYS 31 19.414 12.582 -9.811 253 2HD LYS 31 1HD LYS 31 19.300 11.086 -10.740 254 1HE LYS 31 2HE LYS 31 19.423 13.419 -12.479 255 2HE LYS 31 1HE LYS 31 20.825 13.326 -11.412 256 1HZ LYS 31 1HZ LYS 31 20.783 12.037 -13.660 257 2HZ LYS 31 2HZ LYS 31 19.909 10.889 -12.764 258 3HZ LYS 31 3HZ LYS 31 21.476 11.332 -12.281 259 H GLU 32 H GLU 32 16.812 9.833 -7.521 260 HA GLU 32 HA GLU 32 13.954 9.383 -7.322 261 1HB GLU 32 2HB GLU 32 14.634 7.555 -5.718 262 2HB GLU 32 1HB GLU 32 15.411 7.457 -7.294 263 1HG GLU 32 2HG GLU 32 17.344 7.323 -6.114 264 2HG GLU 32 1HG GLU 32 17.159 9.062 -5.906 265 H LEU 33 H LEU 33 16.408 10.661 -5.094 266 HA LEU 33 HA LEU 33 14.783 10.770 -2.775 267 1HB LEU 33 2HB LEU 33 16.361 12.300 -1.887 268 2HB LEU 33 1HB LEU 33 17.295 11.313 -3.006 269 HG LEU 33 HG LEU 33 16.527 13.240 -4.712 270 1HD1 LEU 33 1HD1 LEU 33 15.251 14.476 -2.984 271 2HD1 LEU 33 2HD1 LEU 33 16.614 15.427 -3.568 272 3HD1 LEU 33 3HD1 LEU 33 16.713 14.609 -2.009 273 1HD2 LEU 33 1HD2 LEU 33 18.770 13.929 -2.845 274 2HD2 LEU 33 2HD2 LEU 33 18.733 13.969 -4.609 275 3HD2 LEU 33 3HD2 LEU 33 18.862 12.427 -3.764 276 H GLU 34 H GLU 34 14.920 12.879 -5.600 277 HA GLU 34 HA GLU 34 13.413 15.039 -4.527 278 1HB GLU 34 2HB GLU 34 14.759 14.846 -6.746 279 2HB GLU 34 1HB GLU 34 13.255 14.198 -7.407 280 1HG GLU 34 2HG GLU 34 12.162 16.263 -6.243 281 2HG GLU 34 1HG GLU 34 13.805 16.902 -6.268 282 H LEU 35 H LEU 35 12.300 12.331 -6.635 283 HA LEU 35 HA LEU 35 9.596 12.941 -6.655 284 1HB LEU 35 2HB LEU 35 10.694 10.994 -7.852 285 2HB LEU 35 1HB LEU 35 10.681 10.130 -6.317 286 HG LEU 35 HG LEU 35 8.681 9.841 -8.047 287 1HD1 LEU 35 1HD1 LEU 35 8.925 8.859 -5.721 288 2HD1 LEU 35 2HD1 LEU 35 7.264 9.186 -6.213 289 3HD1 LEU 35 3HD1 LEU 35 8.090 10.287 -5.112 290 1HD2 LEU 35 1HD2 LEU 35 7.876 12.281 -6.433 291 2HD2 LEU 35 2HD2 LEU 35 6.811 11.364 -7.497 292 3HD2 LEU 35 3HD2 LEU 35 8.173 12.259 -8.168 293 H LEU 36 H LEU 36 11.213 10.836 -4.259 294 HA LEU 36 HA LEU 36 8.909 10.636 -2.603 295 1HB LEU 36 2HB LEU 36 11.188 9.280 -2.634 296 2HB LEU 36 1HB LEU 36 11.664 10.488 -1.435 297 HG LEU 36 HG LEU 36 10.614 8.442 -0.427 298 1HD1 LEU 36 1HD1 LEU 36 10.400 11.026 0.315 299 2HD1 LEU 36 2HD1 LEU 36 9.624 9.725 1.218 300 3HD1 LEU 36 3HD1 LEU 36 8.697 10.670 0.063 301 1HD2 LEU 36 1HD2 LEU 36 8.415 7.839 -0.928 302 2HD2 LEU 36 2HD2 LEU 36 8.955 8.429 -2.500 303 3HD2 LEU 36 3HD2 LEU 36 7.986 9.467 -1.455 304 H GLN 37 H GLN 37 11.330 13.096 -2.973 305 HA GLN 37 HA GLN 37 11.096 14.371 -0.450 306 1HB GLN 37 2HB GLN 37 12.699 14.906 -2.419 307 2HB GLN 37 1HB GLN 37 11.374 15.882 -3.053 308 1HG GLN 37 2HG GLN 37 11.643 17.497 -1.473 309 2HG GLN 37 1HG GLN 37 11.970 16.326 -0.194 310 1HE2 GLN 37 1HE2 GLN 37 13.776 16.355 -3.249 311 2HE2 GLN 37 2HE2 GLN 37 15.251 16.855 -2.575 312 H GLN 38 H GLN 38 8.809 13.928 -2.914 313 HA GLN 38 HA GLN 38 6.936 15.723 -1.498 314 1HB GLN 38 2HB GLN 38 7.951 16.087 -4.231 315 2HB GLN 38 1HB GLN 38 6.190 16.043 -4.141 316 1HG GLN 38 2HG GLN 38 6.509 17.676 -2.120 317 2HG GLN 38 1HG GLN 38 8.098 17.963 -2.830 318 1HE2 GLN 38 1HE2 GLN 38 8.131 19.614 -4.356 319 2HE2 GLN 38 2HE2 GLN 38 6.796 20.129 -5.270 320 H ILE 39 H ILE 39 7.484 12.676 -2.040 321 HA ILE 39 HA ILE 39 4.723 12.149 -2.986 322 HB ILE 39 HB ILE 39 7.212 10.597 -3.538 323 1HG1 ILE 39 2HG1 ILE 39 6.620 12.348 -5.132 324 2HG1 ILE 39 1HG1 ILE 39 6.256 10.784 -5.856 325 1HG2 ILE 39 1HG2 ILE 39 4.321 9.716 -3.831 326 2HG2 ILE 39 2HG2 ILE 39 5.514 9.003 -2.745 327 3HG2 ILE 39 3HG2 ILE 39 5.710 8.852 -4.491 328 1HD1 ILE 39 1HD1 ILE 39 3.922 11.433 -4.498 329 2HD1 ILE 39 2HD1 ILE 39 4.182 11.572 -6.236 330 3HD1 ILE 39 3HD1 ILE 39 4.448 12.968 -5.190 331 H ALA 40 H ALA 40 7.215 10.981 -0.712 332 HA ALA 40 HA ALA 40 5.358 9.037 0.461 333 1HB ALA 40 1HB ALA 40 7.875 10.142 1.733 334 2HB ALA 40 2HB ALA 40 7.864 8.779 0.618 335 3HB ALA 40 3HB ALA 40 7.033 8.656 2.161 336 H GLN 41 H GLN 41 5.629 12.326 0.536 337 HA GLN 41 HA GLN 41 4.534 12.547 3.278 338 1HB GLN 41 2HB GLN 41 5.309 14.791 1.436 339 2HB GLN 41 1HB GLN 41 5.156 14.844 3.194 340 1HG GLN 41 2HG GLN 41 7.160 13.746 3.540 341 2HG GLN 41 1HG GLN 41 7.079 12.878 2.022 342 1HE2 GLN 41 1HE2 GLN 41 9.265 13.552 1.474 343 2HE2 GLN 41 2HE2 GLN 41 9.590 15.136 0.973 344 H LYS 42 H LYS 42 3.645 12.450 0.041 345 HA LYS 42 HA LYS 42 0.927 13.398 0.825 346 1HB LYS 42 2HB LYS 42 0.744 14.329 -1.565 347 2HB LYS 42 1HB LYS 42 1.696 15.255 -0.405 348 1HG LYS 42 2HG LYS 42 3.286 15.195 -2.029 349 2HG LYS 42 1HG LYS 42 3.601 13.578 -1.404 350 1HD LYS 42 2HD LYS 42 3.327 13.244 -3.724 351 2HD LYS 42 1HD LYS 42 1.763 12.794 -3.044 352 1HE LYS 42 2HE LYS 42 1.317 14.222 -4.927 353 2HE LYS 42 1HE LYS 42 1.005 15.173 -3.475 354 1HZ LYS 42 1HZ LYS 42 3.638 15.586 -3.927 355 2HZ LYS 42 2HZ LYS 42 2.389 16.643 -4.380 356 3HZ LYS 42 3HZ LYS 42 3.010 15.528 -5.502 357 HA PRO 43 HA PRO 43 1.034 9.488 -1.905 358 1HB PRO 43 2HB PRO 43 1.126 7.503 -0.015 359 2HB PRO 43 1HB PRO 43 2.565 8.136 -0.835 360 1HG PRO 43 2HG PRO 43 1.585 8.680 1.942 361 2HG PRO 43 1HG PRO 43 3.246 8.619 1.323 362 1HD PRO 43 2HD PRO 43 1.851 10.993 1.831 363 2HD PRO 43 1HD PRO 43 3.241 10.831 0.745 364 H GLY 44 H GLY 44 -0.137 8.335 1.195 365 1HA GLY 44 2HA GLY 44 -2.317 8.005 2.003 366 2HA GLY 44 1HA GLY 44 -2.841 9.304 0.927 367 H ALA 45 H ALA 45 -1.092 7.021 -0.816 368 HA ALA 45 HA ALA 45 -3.389 5.256 -1.342 369 1HB ALA 45 1HB ALA 45 -3.642 7.371 -2.754 370 2HB ALA 45 2HB ALA 45 -3.658 5.841 -3.633 371 3HB ALA 45 3HB ALA 45 -2.204 6.839 -3.624 372 H LEU 46 H LEU 46 -0.138 5.487 -0.862 373 HA LEU 46 HA LEU 46 1.177 4.128 -2.891 374 1HB LEU 46 2HB LEU 46 1.701 4.663 -0.192 375 2HB LEU 46 1HB LEU 46 1.804 2.907 -0.319 376 HG LEU 46 HG LEU 46 3.244 4.852 -2.144 377 1HD1 LEU 46 1HD1 LEU 46 4.349 5.047 -0.076 378 2HD1 LEU 46 2HD1 LEU 46 5.261 3.784 -0.904 379 3HD1 LEU 46 3HD1 LEU 46 4.077 3.353 0.331 380 1HD2 LEU 46 1HD2 LEU 46 3.841 1.922 -1.812 381 2HD2 LEU 46 2HD2 LEU 46 4.204 2.980 -3.177 382 3HD2 LEU 46 3HD2 LEU 46 2.550 2.435 -2.897 383 H ARG 47 H ARG 47 0.083 2.271 -0.089 384 HA ARG 47 HA ARG 47 -0.093 -0.215 -0.369 385 1HB ARG 47 2HB ARG 47 -2.798 1.108 -0.658 386 2HB ARG 47 1HB ARG 47 -2.451 -0.457 0.079 387 1HG ARG 47 2HG ARG 47 -1.144 0.623 1.841 388 2HG ARG 47 1HG ARG 47 -1.385 2.198 1.085 389 1HD ARG 47 2HD ARG 47 -2.956 1.781 2.987 390 2HD ARG 47 1HD ARG 47 -3.787 2.062 1.458 391 HE ARG 47 HE ARG 47 -3.276 -0.751 2.267 392 1HH1 ARG 47 2HH1 ARG 47 -5.147 0.342 0.059 393 2HH1 ARG 47 1HH1 ARG 47 -6.690 0.075 0.799 394 1HH2 ARG 47 1HH2 ARG 47 -5.379 -0.427 3.970 395 2HH2 ARG 47 2HH2 ARG 47 -6.822 -0.361 3.012 396 H ILE 48 H ILE 48 -2.457 1.271 -2.613 397 HA ILE 48 HA ILE 48 -2.976 -0.861 -4.260 398 HB ILE 48 HB ILE 48 -2.509 2.029 -5.017 399 1HG1 ILE 48 2HG1 ILE 48 -4.411 1.407 -3.484 400 2HG1 ILE 48 1HG1 ILE 48 -4.936 2.128 -5.005 401 1HG2 ILE 48 1HG2 ILE 48 -4.170 0.742 -6.918 402 2HG2 ILE 48 2HG2 ILE 48 -2.739 -0.273 -6.739 403 3HG2 ILE 48 3HG2 ILE 48 -2.566 1.424 -7.186 404 1HD1 ILE 48 1HD1 ILE 48 -4.850 -0.836 -4.371 405 2HD1 ILE 48 2HD1 ILE 48 -5.303 -0.151 -5.932 406 3HD1 ILE 48 3HD1 ILE 48 -6.302 0.155 -4.511 407 H LEU 49 H LEU 49 -0.360 1.453 -5.113 408 HA LEU 49 HA LEU 49 0.854 -0.616 -6.827 409 1HB LEU 49 2HB LEU 49 2.394 1.866 -6.304 410 2HB LEU 49 1HB LEU 49 2.001 1.091 -7.838 411 HG LEU 49 HG LEU 49 -0.478 1.936 -7.014 412 1HD1 LEU 49 1HD1 LEU 49 0.287 3.193 -5.120 413 2HD1 LEU 49 2HD1 LEU 49 -0.047 4.372 -6.387 414 3HD1 LEU 49 3HD1 LEU 49 1.616 3.896 -6.042 415 1HD2 LEU 49 1HD2 LEU 49 0.458 4.073 -8.490 416 2HD2 LEU 49 2HD2 LEU 49 -0.130 2.555 -9.170 417 3HD2 LEU 49 3HD2 LEU 49 1.598 2.795 -8.912 418 H ASN 50 H ASN 50 1.128 0.489 -3.602 419 HA ASN 50 HA ASN 50 3.874 -0.013 -3.069 420 1HB ASN 50 2HB ASN 50 2.177 1.074 -1.506 421 2HB ASN 50 1HB ASN 50 1.600 -0.551 -1.150 422 1HD2 ASN 50 1HD2 ASN 50 5.005 0.459 -1.704 423 2HD2 ASN 50 2HD2 ASN 50 5.550 -0.003 -0.166 424 H HIS 51 H HIS 51 1.137 -2.163 -3.464 425 HA HIS 51 HA HIS 51 1.939 -4.486 -2.188 426 1HB HIS 51 2HB HIS 51 -0.100 -4.421 -3.532 427 2HB HIS 51 1HB HIS 51 0.841 -4.203 -5.007 428 HD1 HIS 51 HD1 HIS 51 0.578 -6.748 -2.169 429 HD2 HIS 51 HD2 HIS 51 1.428 -6.598 -6.249 430 HE1 HIS 51 HE1 HIS 51 0.900 -9.144 -2.922 431 H SER 52 H SER 52 3.365 -2.927 -4.976 432 HA SER 52 HA SER 52 5.581 -4.905 -4.855 433 1HB SER 52 2HB SER 52 4.902 -3.607 -7.441 434 2HB SER 52 1HB SER 52 5.508 -5.233 -7.124 435 HG SER 52 HG SER 52 3.313 -5.472 -6.078 436 H LEU 53 H LEU 53 4.629 -1.724 -4.466 437 HA LEU 53 HA LEU 53 7.088 -0.543 -5.554 438 1HB LEU 53 2HB LEU 53 4.501 0.478 -4.939 439 2HB LEU 53 1HB LEU 53 5.645 1.300 -3.879 440 HG LEU 53 HG LEU 53 6.931 2.106 -5.709 441 1HD1 LEU 53 1HD1 LEU 53 5.453 -0.005 -7.248 442 2HD1 LEU 53 2HD1 LEU 53 7.186 0.229 -7.102 443 3HD1 LEU 53 3HD1 LEU 53 6.230 1.336 -8.083 444 1HD2 LEU 53 1HD2 LEU 53 4.559 3.090 -5.419 445 2HD2 LEU 53 2HD2 LEU 53 4.148 2.177 -6.871 446 3HD2 LEU 53 3HD2 LEU 53 5.394 3.422 -6.936 447 H ARG 54 H ARG 54 6.048 -2.007 -2.696 448 HA ARG 54 HA ARG 54 7.555 -0.575 -0.745 449 1HB ARG 54 2HB ARG 54 5.906 -2.442 -0.278 450 2HB ARG 54 1HB ARG 54 7.121 -3.581 -0.862 451 1HG ARG 54 2HG ARG 54 8.418 -3.361 1.005 452 2HG ARG 54 1HG ARG 54 8.072 -1.639 1.164 453 1HD ARG 54 2HD ARG 54 6.904 -2.453 2.993 454 2HD ARG 54 1HD ARG 54 5.641 -2.524 1.762 455 HE ARG 54 HE ARG 54 6.960 -4.997 1.637 456 1HH1 ARG 54 2HH1 ARG 54 7.142 -6.281 3.711 457 2HH1 ARG 54 1HH1 ARG 54 5.715 -6.253 4.692 458 1HH2 ARG 54 2HH2 ARG 54 4.096 -4.727 4.287 459 2HH2 ARG 54 1HH2 ARG 54 4.284 -3.587 2.997 460 H LEU 55 H LEU 55 8.440 -2.520 -3.430 461 HA LEU 55 HA LEU 55 11.008 -3.472 -2.624 462 1HB LEU 55 2HB LEU 55 9.419 -3.362 -5.023 463 2HB LEU 55 1HB LEU 55 11.070 -2.864 -5.393 464 HG LEU 55 HG LEU 55 10.644 -5.360 -5.551 465 1HD1 LEU 55 1HD1 LEU 55 12.729 -4.065 -3.831 466 2HD1 LEU 55 2HD1 LEU 55 12.906 -4.856 -5.399 467 3HD1 LEU 55 3HD1 LEU 55 12.690 -5.825 -3.941 468 1HD2 LEU 55 1HD2 LEU 55 9.656 -6.406 -3.818 469 2HD2 LEU 55 2HD2 LEU 55 9.544 -4.865 -2.968 470 3HD2 LEU 55 3HD2 LEU 55 10.960 -5.893 -2.748 471 H ALA 56 H ALA 56 9.908 -0.420 -4.009 472 HA ALA 56 HA ALA 56 12.045 0.952 -4.900 473 1HB ALA 56 1HB ALA 56 11.238 2.935 -3.434 474 2HB ALA 56 2HB ALA 56 10.002 1.817 -2.857 475 3HB ALA 56 3HB ALA 56 10.087 2.228 -4.569 476 H ALA 57 H ALA 57 11.591 0.011 -1.517 477 HA ALA 57 HA ALA 57 14.321 1.052 -0.909 478 1HB ALA 57 1HB ALA 57 11.928 0.409 0.820 479 2HB ALA 57 2HB ALA 57 12.792 1.939 0.672 480 3HB ALA 57 3HB ALA 57 13.542 0.579 1.509 481 H MET 58 H MET 58 12.316 -1.812 -1.064 482 HA MET 58 HA MET 58 14.030 -3.608 0.369 483 1HB MET 58 2HB MET 58 11.577 -3.796 -0.901 484 2HB MET 58 1HB MET 58 12.623 -4.801 -1.906 485 1HG MET 58 2HG MET 58 13.280 -6.141 -0.020 486 2HG MET 58 1HG MET 58 12.510 -5.030 1.112 487 1HE MET 58 1HE MET 58 12.689 -7.978 0.001 488 2HE MET 58 2HE MET 58 11.277 -8.609 -0.843 489 3HE MET 58 3HE MET 58 11.291 -8.554 0.918 490 H THR 59 H THR 59 16.182 -3.120 -0.339 491 HA THR 59 HA THR 59 16.798 -3.735 -3.182 492 HB THR 59 HB THR 59 17.827 -1.702 -2.364 493 HG1 THR 59 HG1 THR 59 19.788 -2.187 -3.035 494 1HG2 THR 59 1HG2 THR 59 17.816 -1.858 -0.030 495 2HG2 THR 59 2HG2 THR 59 19.529 -2.027 -0.410 496 3HG2 THR 59 3HG2 THR 59 18.565 -3.455 -0.037 497 H ALA 60 H ALA 60 16.096 -5.672 -0.897 498 HA ALA 60 HA ALA 60 18.517 -7.401 -1.207 499 1HB ALA 60 1HB ALA 60 18.149 -8.286 1.003 500 2HB ALA 60 2HB ALA 60 16.610 -7.437 1.146 501 3HB ALA 60 3HB ALA 60 18.121 -6.527 1.138 502 H HIS 61 H HIS 61 15.548 -7.049 -2.395 503 HA HIS 61 HA HIS 61 13.968 -9.270 -1.971 504 1HB HIS 61 2HB HIS 61 13.776 -7.405 -3.785 505 2HB HIS 61 1HB HIS 61 14.671 -8.532 -4.804 506 HD1 HIS 61 HD1 HIS 61 12.814 -10.601 -2.612 507 HD2 HIS 61 HD2 HIS 61 11.792 -8.376 -5.985 508 HE1 HIS 61 HE1 HIS 61 10.619 -11.544 -3.456 509 H GLY 62 H GLY 62 16.763 -9.216 -4.204 510 1HA GLY 62 2HA GLY 62 18.065 -10.986 -5.039 511 2HA GLY 62 1HA GLY 62 17.856 -11.691 -3.435 512 H LYS 63 H LYS 63 15.072 -10.985 -5.369 513 HA LYS 63 HA LYS 63 14.780 -13.896 -5.984 514 1HB LYS 63 2HB LYS 63 13.349 -12.952 -4.059 515 2HB LYS 63 1HB LYS 63 12.480 -12.061 -5.308 516 1HG LYS 63 2HG LYS 63 11.871 -14.114 -6.441 517 2HG LYS 63 1HG LYS 63 12.888 -15.064 -5.359 518 1HD LYS 63 2HD LYS 63 11.449 -14.148 -3.446 519 2HD LYS 63 1HD LYS 63 10.332 -13.596 -4.696 520 1HE LYS 63 2HE LYS 63 10.310 -15.968 -5.585 521 2HE LYS 63 1HE LYS 63 11.198 -16.442 -4.138 522 1HZ LYS 63 1HZ LYS 63 8.518 -15.174 -4.242 523 2HZ LYS 63 2HZ LYS 63 9.389 -15.454 -2.811 524 3HZ LYS 63 3HZ LYS 63 8.873 -16.762 -3.763 525 H GLY 64 H GLY 64 13.962 -10.561 -6.857 526 1HA GLY 64 2HA GLY 64 14.142 -11.175 -9.684 527 2HA GLY 64 1HA GLY 64 12.466 -10.948 -9.180 528 H GLU 65 H GLU 65 15.577 -9.361 -9.567 529 HA GLU 65 HA GLU 65 14.228 -6.777 -9.838 530 1HB GLU 65 2HB GLU 65 15.634 -5.696 -8.058 531 2HB GLU 65 1HB GLU 65 14.446 -6.834 -7.418 532 1HG GLU 65 2HG GLU 65 16.040 -8.301 -6.709 533 2HG GLU 65 1HG GLU 65 17.061 -8.024 -8.120 534 H ARG 66 H ARG 66 15.600 -5.215 -10.845 535 HA ARG 66 HA ARG 66 18.075 -6.399 -12.007 536 1HB ARG 66 2HB ARG 66 16.055 -5.315 -13.360 537 2HB ARG 66 1HB ARG 66 16.912 -3.819 -12.982 538 1HG ARG 66 2HG ARG 66 18.647 -4.313 -14.373 539 2HG ARG 66 1HG ARG 66 18.637 -6.021 -13.932 540 1HD ARG 66 2HD ARG 66 16.229 -5.268 -15.393 541 2HD ARG 66 1HD ARG 66 17.692 -4.938 -16.322 542 HE ARG 66 HE ARG 66 16.974 -7.628 -15.228 543 1HH1 ARG 66 2HH1 ARG 66 18.888 -8.948 -15.873 544 2HH1 ARG 66 1HH1 ARG 66 19.412 -8.732 -17.509 545 1HH2 ARG 66 2HH2 ARG 66 18.648 -6.983 -18.719 546 2HH2 ARG 66 1HH2 ARG 66 17.536 -5.859 -18.008 547 H VAL 67 H VAL 67 18.781 -3.462 -12.705 548 HA VAL 67 HA VAL 67 19.534 -2.469 -10.020 549 HB VAL 67 HB VAL 67 21.497 -3.288 -12.173 550 1HG1 VAL 67 1HG1 VAL 67 22.369 -1.199 -11.594 551 2HG1 VAL 67 2HG1 VAL 67 23.146 -2.249 -10.408 552 3HG1 VAL 67 3HG1 VAL 67 21.743 -1.283 -9.947 553 1HG2 VAL 67 1HG2 VAL 67 21.596 -5.091 -10.803 554 2HG2 VAL 67 2HG2 VAL 67 20.665 -4.277 -9.545 555 3HG2 VAL 67 3HG2 VAL 67 22.408 -4.030 -9.651 556 H ASN 68 H ASN 68 19.708 -0.246 -9.970 557 HA ASN 68 HA ASN 68 19.837 1.964 -10.781 558 1HB ASN 68 2HB ASN 68 21.109 0.611 -12.770 559 2HB ASN 68 1HB ASN 68 19.709 1.233 -13.645 560 1HD2 ASN 68 1HD2 ASN 68 22.509 2.243 -11.666 561 2HD2 ASN 68 2HD2 ASN 68 22.515 3.851 -12.206 562 H GLU 69 H GLU 69 18.521 2.681 -13.381 563 HA GLU 69 HA GLU 69 15.924 3.227 -12.431 564 1HB GLU 69 2HB GLU 69 17.351 3.424 -14.977 565 2HB GLU 69 1HB GLU 69 15.627 3.115 -15.188 566 1HG GLU 69 2HG GLU 69 15.309 5.321 -14.838 567 2HG GLU 69 1HG GLU 69 15.727 5.017 -13.150 568 H ASP 70 H ASP 70 16.690 0.830 -14.997 569 HA ASP 70 HA ASP 70 14.223 -0.386 -15.222 570 1HB ASP 70 2HB ASP 70 16.882 -1.819 -15.116 571 2HB ASP 70 1HB ASP 70 15.388 -2.479 -15.782 572 H TYR 71 H TYR 71 16.713 -1.366 -12.822 573 HA TYR 71 HA TYR 71 15.683 -3.410 -11.421 574 1HB TYR 71 2HB TYR 71 17.487 -2.344 -10.351 575 2HB TYR 71 1HB TYR 71 16.681 -0.779 -10.352 576 HD1 TYR 71 HD1 TYR 71 16.391 -0.100 -8.151 577 HD2 TYR 71 HD2 TYR 71 15.517 -4.172 -9.213 578 HE1 TYR 71 HE1 TYR 71 15.484 -0.494 -5.874 579 HE2 TYR 71 HE2 TYR 71 14.614 -4.564 -6.929 580 HH TYR 71 HH TYR 71 15.082 -2.361 -4.361 581 H LEU 72 H LEU 72 14.381 -0.133 -11.091 582 HA LEU 72 HA LEU 72 12.398 -0.767 -9.236 583 1HB LEU 72 2HB LEU 72 12.016 1.281 -11.395 584 2HB LEU 72 1HB LEU 72 11.399 1.306 -9.742 585 HG LEU 72 HG LEU 72 14.254 1.651 -10.656 586 1HD1 LEU 72 1HD1 LEU 72 12.465 3.526 -10.491 587 2HD1 LEU 72 2HD1 LEU 72 14.041 3.797 -9.761 588 3HD1 LEU 72 3HD1 LEU 72 12.668 3.346 -8.751 589 1HD2 LEU 72 1HD2 LEU 72 13.354 1.546 -7.783 590 2HD2 LEU 72 2HD2 LEU 72 14.990 1.445 -8.423 591 3HD2 LEU 72 3HD2 LEU 72 13.890 0.085 -8.607 592 H ARG 73 H ARG 73 12.021 -0.486 -12.756 593 HA ARG 73 HA ARG 73 9.312 -1.585 -12.606 594 1HB ARG 73 2HB ARG 73 11.193 -1.298 -14.988 595 2HB ARG 73 1HB ARG 73 9.480 -1.703 -15.093 596 1HG ARG 73 2HG ARG 73 8.977 0.490 -15.054 597 2HG ARG 73 1HG ARG 73 9.693 0.605 -13.447 598 1HD ARG 73 2HD ARG 73 10.679 2.140 -15.259 599 2HD ARG 73 1HD ARG 73 11.825 1.186 -14.317 600 HE ARG 73 HE ARG 73 12.274 -0.127 -16.256 601 1HH1 ARG 73 2HH1 ARG 73 9.149 0.157 -16.886 602 2HH1 ARG 73 1HH1 ARG 73 9.270 0.774 -18.500 603 1HH2 ARG 73 1HH2 ARG 73 12.654 1.484 -18.262 604 2HH2 ARG 73 2HH2 ARG 73 11.251 1.525 -19.278 605 H GLN 74 H GLN 74 12.361 -2.959 -12.343 606 HA GLN 74 HA GLN 74 11.447 -5.592 -13.339 607 1HB GLN 74 2HB GLN 74 13.838 -4.566 -13.793 608 2HB GLN 74 1HB GLN 74 14.166 -5.048 -12.133 609 1HG GLN 74 2HG GLN 74 14.862 -6.843 -13.620 610 2HG GLN 74 1HG GLN 74 13.456 -7.372 -12.699 611 1HE2 GLN 74 1HE2 GLN 74 12.946 -5.058 -15.302 612 2HE2 GLN 74 2HE2 GLN 74 12.239 -6.152 -16.386 613 H ALA 75 H ALA 75 11.469 -3.686 -10.634 614 HA ALA 75 HA ALA 75 11.747 -5.875 -8.664 615 1HB ALA 75 1HB ALA 75 10.954 -3.384 -7.481 616 2HB ALA 75 2HB ALA 75 12.197 -3.031 -8.679 617 3HB ALA 75 3HB ALA 75 12.529 -4.170 -7.375 618 H PHE 76 H PHE 76 9.486 -3.250 -9.404 619 HA PHE 76 HA PHE 76 7.277 -4.762 -8.152 620 1HB PHE 76 2HB PHE 76 6.410 -2.704 -7.670 621 2HB PHE 76 1HB PHE 76 8.030 -2.140 -8.014 622 HD1 PHE 76 HD1 PHE 76 4.869 -1.177 -8.490 623 HD2 PHE 76 HD2 PHE 76 8.267 -2.226 -10.883 624 HE1 PHE 76 HE1 PHE 76 3.982 0.198 -10.331 625 HE2 PHE 76 HE2 PHE 76 7.380 -0.853 -12.734 626 HZ PHE 76 HZ PHE 76 5.235 0.365 -12.474 627 H ARG 77 H ARG 77 8.468 -5.465 -10.828 628 HA ARG 77 HA ARG 77 5.901 -5.527 -12.286 629 1HB ARG 77 2HB ARG 77 7.965 -3.636 -12.846 630 2HB ARG 77 1HB ARG 77 7.892 -4.765 -14.190 631 1HG ARG 77 2HG ARG 77 5.517 -3.277 -13.022 632 2HG ARG 77 1HG ARG 77 6.340 -2.861 -14.526 633 1HD ARG 77 2HD ARG 77 5.061 -5.553 -13.995 634 2HD ARG 77 1HD ARG 77 4.260 -4.239 -14.856 635 HE ARG 77 HE ARG 77 6.358 -4.405 -16.420 636 1HH1 ARG 77 2HH1 ARG 77 3.945 -6.418 -16.558 637 2HH1 ARG 77 1HH1 ARG 77 4.817 -7.884 -16.862 638 1HH2 ARG 77 1HH2 ARG 77 7.898 -6.542 -16.014 639 2HH2 ARG 77 2HH2 ARG 77 7.054 -7.954 -16.555 640 H GLU 78 H GLU 78 9.348 -6.394 -12.251 641 HA GLU 78 HA GLU 78 9.246 -8.384 -14.265 642 1HB GLU 78 2HB GLU 78 11.404 -8.814 -13.652 643 2HB GLU 78 1HB GLU 78 11.207 -7.356 -12.693 644 1HG GLU 78 2HG GLU 78 11.972 -8.786 -11.046 645 2HG GLU 78 1HG GLU 78 10.243 -9.108 -10.914 646 H LEU 79 H LEU 79 7.780 -8.322 -11.177 647 HA LEU 79 HA LEU 79 7.536 -11.284 -11.103 648 1HB LEU 79 2HB LEU 79 6.700 -9.187 -9.084 649 2HB LEU 79 1HB LEU 79 6.578 -10.930 -8.854 650 HG LEU 79 HG LEU 79 9.188 -10.717 -9.581 651 1HD1 LEU 79 1HD1 LEU 79 9.085 -8.463 -7.672 652 2HD1 LEU 79 2HD1 LEU 79 8.500 -8.083 -9.292 653 3HD1 LEU 79 3HD1 LEU 79 10.134 -8.709 -9.068 654 1HD2 LEU 79 1HD2 LEU 79 8.235 -10.259 -6.739 655 2HD2 LEU 79 2HD2 LEU 79 9.691 -11.108 -7.263 656 3HD2 LEU 79 3HD2 LEU 79 8.102 -11.819 -7.552 657 H ASP 80 H ASP 80 5.231 -8.620 -10.353 658 HA ASP 80 HA ASP 80 3.362 -9.099 -12.393 659 1HB ASP 80 2HB ASP 80 1.727 -10.529 -10.960 660 2HB ASP 80 1HB ASP 80 3.036 -11.348 -11.823 661 H LEU 81 H LEU 81 3.396 -8.853 -8.847 662 HA LEU 81 HA LEU 81 2.660 -7.081 -7.513 663 1HB LEU 81 2HB LEU 81 1.115 -5.988 -9.862 664 2HB LEU 81 1HB LEU 81 1.655 -5.158 -8.414 665 HG LEU 81 HG LEU 81 3.207 -5.855 -10.871 666 1HD1 LEU 81 1HD1 LEU 81 2.229 -3.554 -9.942 667 2HD1 LEU 81 2HD1 LEU 81 3.751 -3.627 -10.830 668 3HD1 LEU 81 3HD1 LEU 81 3.760 -3.552 -9.067 669 1HD2 LEU 81 1HD2 LEU 81 4.949 -6.708 -9.698 670 2HD2 LEU 81 2HD2 LEU 81 4.177 -6.355 -8.163 671 3HD2 LEU 81 3HD2 LEU 81 5.122 -5.119 -8.969 672 H ASP 82 H ASP 82 1.572 -9.331 -7.068 673 HA ASP 82 HA ASP 82 -1.201 -8.771 -6.565 674 1HB ASP 82 2HB ASP 82 -2.033 -10.821 -7.857 675 2HB ASP 82 1HB ASP 82 -1.636 -9.392 -8.811 676 H VAL 83 H VAL 83 1.438 -11.063 -6.532 677 HA VAL 83 HA VAL 83 0.648 -11.946 -3.870 678 HB VAL 83 HB VAL 83 0.771 -14.445 -4.842 679 1HG1 VAL 83 1HG1 VAL 83 -1.119 -12.901 -3.658 680 2HG1 VAL 83 2HG1 VAL 83 -1.420 -14.551 -4.203 681 3HG1 VAL 83 3HG1 VAL 83 -1.889 -13.187 -5.219 682 1HG2 VAL 83 1HG2 VAL 83 0.989 -13.470 -7.194 683 2HG2 VAL 83 2HG2 VAL 83 -0.682 -12.931 -7.027 684 3HG2 VAL 83 3HG2 VAL 83 -0.302 -14.653 -6.978 685 H ASP 84 H ASP 84 2.750 -12.395 -6.681 686 HA ASP 84 HA ASP 84 4.790 -13.889 -5.324 687 1HB ASP 84 2HB ASP 84 4.863 -12.084 -7.747 688 2HB ASP 84 1HB ASP 84 6.274 -12.970 -7.175 689 H ILE 85 H ILE 85 4.163 -10.436 -5.643 690 HA ILE 85 HA ILE 85 6.638 -9.809 -4.131 691 HB ILE 85 HB ILE 85 5.253 -7.420 -4.384 692 1HG1 ILE 85 2HG1 ILE 85 3.629 -8.712 -5.877 693 2HG1 ILE 85 1HG1 ILE 85 4.357 -7.282 -6.594 694 1HG2 ILE 85 1HG2 ILE 85 7.198 -8.574 -6.397 695 2HG2 ILE 85 2HG2 ILE 85 7.671 -7.940 -4.820 696 3HG2 ILE 85 3HG2 ILE 85 6.943 -6.870 -6.018 697 1HD1 ILE 85 1HD1 ILE 85 4.501 -9.992 -7.516 698 2HD1 ILE 85 2HD1 ILE 85 6.126 -9.452 -7.100 699 3HD1 ILE 85 3HD1 ILE 85 5.165 -8.543 -8.266 700 H SER 86 H SER 86 3.800 -10.997 -3.254 701 HA SER 86 HA SER 86 3.014 -9.121 -1.173 702 1HB SER 86 2HB SER 86 1.328 -10.697 -0.640 703 2HB SER 86 1HB SER 86 1.531 -10.866 -2.381 704 HG SER 86 HG SER 86 1.744 -12.900 -1.758 705 H THR 87 H THR 87 2.741 -10.523 1.101 706 HA THR 87 HA THR 87 5.560 -11.161 1.828 707 HB THR 87 HB THR 87 3.205 -10.628 3.664 708 HG1 THR 87 HG1 THR 87 4.902 -8.960 2.267 709 1HG2 THR 87 1HG2 THR 87 6.124 -11.142 4.013 710 2HG2 THR 87 2HG2 THR 87 4.767 -11.661 5.010 711 3HG2 THR 87 3HG2 THR 87 5.348 -9.999 5.109 712 H LEU 88 H LEU 88 3.070 -12.781 0.682 713 HA LEU 88 HA LEU 88 3.347 -15.064 2.569 714 1HB LEU 88 2HB LEU 88 1.114 -15.275 0.745 715 2HB LEU 88 1HB LEU 88 1.107 -15.263 2.501 716 HG LEU 88 HG LEU 88 1.197 -12.797 0.747 717 1HD1 LEU 88 1HD1 LEU 88 -1.117 -12.964 2.422 718 2HD1 LEU 88 2HD1 LEU 88 -0.981 -14.475 1.522 719 3HD1 LEU 88 3HD1 LEU 88 -1.047 -12.938 0.660 720 1HD2 LEU 88 1HD2 LEU 88 1.846 -11.733 2.626 721 2HD2 LEU 88 2HD2 LEU 88 1.824 -13.254 3.518 722 3HD2 LEU 88 3HD2 LEU 88 0.365 -12.271 3.418 723 H LEU 89 H LEU 89 4.923 -14.197 0.053 724 HA LEU 89 HA LEU 89 4.643 -16.805 -1.367 725 1HB LEU 89 2HB LEU 89 4.450 -14.109 -2.404 726 2HB LEU 89 1HB LEU 89 5.807 -14.954 -3.149 727 HG LEU 89 HG LEU 89 3.854 -15.421 -4.482 728 1HD1 LEU 89 1HD1 LEU 89 5.458 -17.342 -3.468 729 2HD1 LEU 89 2HD1 LEU 89 4.156 -17.689 -4.606 730 3HD1 LEU 89 3HD1 LEU 89 3.900 -17.920 -2.877 731 1HD2 LEU 89 1HD2 LEU 89 2.546 -15.313 -1.930 732 2HD2 LEU 89 2HD2 LEU 89 2.189 -16.870 -2.676 733 3HD2 LEU 89 3HD2 LEU 89 1.811 -15.376 -3.532 734 H ARG 90 H ARG 90 6.481 -17.986 -1.239 735 HA ARG 90 HA ARG 90 9.101 -16.988 -1.692 736 1HB ARG 90 2HB ARG 90 8.841 -15.826 0.443 737 2HB ARG 90 1HB ARG 90 8.377 -17.333 1.231 738 1HG ARG 90 2HG ARG 90 10.522 -18.063 1.372 739 2HG ARG 90 1HG ARG 90 10.922 -17.481 -0.244 740 1HD ARG 90 2HD ARG 90 11.205 -15.222 0.566 741 2HD ARG 90 1HD ARG 90 10.591 -15.667 2.158 742 HE ARG 90 HE ARG 90 13.055 -17.009 1.177 743 1HH1 ARG 90 2HH1 ARG 90 12.689 -14.001 2.319 744 2HH1 ARG 90 1HH1 ARG 90 13.431 -14.243 3.865 745 1HH2 ARG 90 1HH2 ARG 90 13.474 -17.701 3.597 746 2HH2 ARG 90 2HH2 ARG 90 13.875 -16.339 4.589 747 H ASN 91 HN ASN 91 8.325 -19.180 0.976 748 HA ASN 91 HA ASN 91 9.751 -21.344 -0.398 749 1HB ASN 91 2HB ASN 91 9.054 -22.625 1.723 750 2HB ASN 91 1HB ASN 91 10.141 -21.254 1.943 751 1HD2 ASN 91 1HD2 ASN 91 9.227 -21.140 4.207 752 2HD2 ASN 91 2HD2 ASN 91 7.737 -20.364 4.451 Start of MODEL 7 1 1H GLY 1 1H GLY 1 2.519 13.693 13.658 2 2H GLY 1 2H GLY 1 2.517 13.626 15.355 3 3H GLY 1 3H GLY 1 3.945 14.013 14.521 4 1HA GLY 1 1HA GLY 1 2.788 15.989 15.442 5 2HA GLY 1 2HA GLY 1 3.061 16.112 13.676 6 H SER 2 H SER 2 1.012 17.284 13.489 7 HA SER 2 HA SER 2 -1.321 16.542 15.165 8 1HB SER 2 2HB SER 2 -1.087 19.438 14.894 9 2HB SER 2 1HB SER 2 -1.404 18.472 16.333 10 HG SER 2 HG SER 2 0.560 19.324 16.698 11 H ARG 3 H ARG 3 -0.466 19.192 12.908 12 HA ARG 3 HA ARG 3 -2.885 18.452 11.326 13 1HB ARG 3 2HB ARG 3 -2.605 20.745 10.327 14 2HB ARG 3 1HB ARG 3 -2.906 20.763 12.065 15 1HG ARG 3 2HG ARG 3 -0.617 21.194 12.564 16 2HG ARG 3 1HG ARG 3 -0.108 20.793 10.922 17 1HD ARG 3 2HD ARG 3 -2.118 22.934 11.034 18 2HD ARG 3 1HD ARG 3 -0.604 23.346 11.839 19 HE ARG 3 HE ARG 3 -0.971 23.138 8.995 20 1HH1 ARG 3 2HH1 ARG 3 1.252 24.186 11.094 21 2HH1 ARG 3 1HH1 ARG 3 2.646 23.502 10.327 22 1HH2 ARG 3 1HH2 ARG 3 0.806 21.478 8.194 23 2HH2 ARG 3 2HH2 ARG 3 2.393 21.967 8.684 24 H ILE 4 H ILE 4 -0.402 16.962 11.114 25 HA ILE 4 HA ILE 4 1.165 17.799 8.874 26 HB ILE 4 HB ILE 4 2.104 15.625 8.914 27 1HG1 ILE 4 2HG1 ILE 4 0.055 14.338 8.562 28 2HG1 ILE 4 1HG1 ILE 4 0.913 13.691 9.959 29 1HG2 ILE 4 1HG2 ILE 4 2.061 17.034 11.141 30 2HG2 ILE 4 2HG2 ILE 4 2.691 15.386 11.153 31 3HG2 ILE 4 3HG2 ILE 4 1.053 15.708 11.723 32 1HD1 ILE 4 1HD1 ILE 4 -1.481 15.544 9.989 33 2HD1 ILE 4 2HD1 ILE 4 -0.549 15.121 11.426 34 3HD1 ILE 4 3HD1 ILE 4 -1.424 13.871 10.544 35 H ALA 5 H ALA 5 1.133 15.913 6.940 36 HA ALA 5 HA ALA 5 -1.187 16.595 5.385 37 1HB ALA 5 1HB ALA 5 1.073 15.971 4.452 38 2HB ALA 5 2HB ALA 5 -0.275 15.115 3.703 39 3HB ALA 5 3HB ALA 5 0.732 14.300 4.900 40 H LYS 6 H LYS 6 -3.189 15.772 5.728 41 HA LYS 6 HA LYS 6 -3.737 13.528 7.394 42 1HB LYS 6 2HB LYS 6 -5.253 15.369 5.702 43 2HB LYS 6 1HB LYS 6 -5.933 13.742 5.704 44 1HG LYS 6 2HG LYS 6 -5.821 13.770 8.214 45 2HG LYS 6 1HG LYS 6 -5.330 15.462 8.124 46 1HD LYS 6 2HD LYS 6 -7.399 16.138 7.201 47 2HD LYS 6 1HD LYS 6 -7.841 14.485 6.769 48 1HE LYS 6 2HE LYS 6 -8.045 13.889 9.133 49 2HE LYS 6 1HE LYS 6 -7.526 15.508 9.606 50 1HZ LYS 6 1HZ LYS 6 -9.888 15.428 9.695 51 2HZ LYS 6 2HZ LYS 6 -9.994 14.775 8.131 52 3HZ LYS 6 3HZ LYS 6 -9.464 16.374 8.352 53 H ARG 7 H ARG 7 -5.500 11.906 6.006 54 HA ARG 7 HA ARG 7 -3.616 10.280 4.427 55 1HB ARG 7 2HB ARG 7 -6.071 9.828 5.959 56 2HB ARG 7 1HB ARG 7 -6.072 8.983 4.411 57 1HG ARG 7 2HG ARG 7 -4.382 7.580 5.025 58 2HG ARG 7 1HG ARG 7 -3.528 8.840 5.918 59 1HD ARG 7 2HD ARG 7 -5.255 8.665 7.722 60 2HD ARG 7 1HD ARG 7 -5.974 7.311 6.852 61 HE ARG 7 HE ARG 7 -3.178 6.815 7.273 62 1HH1 ARG 7 2HH1 ARG 7 -2.875 6.978 9.834 63 2HH1 ARG 7 1HH1 ARG 7 -3.912 5.856 10.649 64 1HH2 ARG 7 2HH2 ARG 7 -5.666 4.940 9.555 65 2HH2 ARG 7 1HH2 ARG 7 -5.972 5.361 7.904 66 H THR 8 H THR 8 -5.123 9.038 2.569 67 HA THR 8 HA THR 8 -6.038 9.290 0.424 68 HB THR 8 HB THR 8 -7.240 11.833 1.553 69 HG1 THR 8 HG1 THR 8 -7.802 9.140 1.915 70 1HG2 THR 8 1HG2 THR 8 -7.854 10.053 -0.806 71 2HG2 THR 8 2HG2 THR 8 -7.525 11.786 -0.806 72 3HG2 THR 8 3HG2 THR 8 -9.042 11.177 -0.145 73 H ALA 9 H ALA 9 -3.565 10.948 1.512 74 HA ALA 9 HA ALA 9 -3.307 13.322 0.026 75 1HB ALA 9 1HB ALA 9 -1.143 11.279 0.606 76 2HB ALA 9 2HB ALA 9 -1.638 12.580 1.686 77 3HB ALA 9 3HB ALA 9 -0.873 12.956 0.143 78 H ILE 10 H ILE 10 -1.426 13.288 -1.859 79 HA ILE 10 HA ILE 10 -2.586 11.522 -3.963 80 HB ILE 10 HB ILE 10 -1.021 14.090 -4.324 81 1HG1 ILE 10 2HG1 ILE 10 -3.924 14.013 -4.895 82 2HG1 ILE 10 1HG1 ILE 10 -3.502 13.914 -3.185 83 1HG2 ILE 10 1HG2 ILE 10 -2.497 13.824 -6.546 84 2HG2 ILE 10 2HG2 ILE 10 -2.355 12.117 -6.124 85 3HG2 ILE 10 3HG2 ILE 10 -0.903 13.084 -6.394 86 1HD1 ILE 10 1HD1 ILE 10 -3.262 16.156 -3.229 87 2HD1 ILE 10 2HD1 ILE 10 -3.351 16.197 -4.989 88 3HD1 ILE 10 3HD1 ILE 10 -1.809 15.894 -4.191 89 H ASN 11 H ASN 11 -1.130 9.742 -3.351 90 HA ASN 11 HA ASN 11 1.754 10.119 -3.512 91 1HB ASN 11 2HB ASN 11 0.463 8.224 -2.285 92 2HB ASN 11 1HB ASN 11 0.378 7.461 -3.874 93 1HD2 ASN 11 1HD2 ASN 11 2.087 6.025 -4.179 94 2HD2 ASN 11 2HD2 ASN 11 3.656 6.228 -3.569 95 H LYS 12 H LYS 12 3.092 9.712 -5.287 96 HA LYS 12 HA LYS 12 3.562 9.776 -7.599 97 1HB LYS 12 2HB LYS 12 1.633 7.465 -7.760 98 2HB LYS 12 1HB LYS 12 3.154 7.691 -8.622 99 1HG LYS 12 2HG LYS 12 3.146 7.488 -5.619 100 2HG LYS 12 1HG LYS 12 3.078 6.028 -6.605 101 1HD LYS 12 2HD LYS 12 5.134 6.651 -7.751 102 2HD LYS 12 1HD LYS 12 5.187 8.187 -6.886 103 1HE LYS 12 2HE LYS 12 5.736 7.173 -4.851 104 2HE LYS 12 1HE LYS 12 5.085 5.609 -5.342 105 1HZ LYS 12 1HZ LYS 12 6.996 5.990 -7.172 106 2HZ LYS 12 2HZ LYS 12 7.227 5.133 -5.723 107 3HZ LYS 12 3HZ LYS 12 7.694 6.763 -5.832 108 H THR 13 H THR 13 1.618 8.678 -9.611 109 HA THR 13 HA THR 13 -0.798 10.261 -9.472 110 HB THR 13 HB THR 13 1.160 11.232 -11.549 111 HG1 THR 13 HG1 THR 13 1.941 12.668 -10.165 112 1HG2 THR 13 1HG2 THR 13 -0.837 12.139 -12.168 113 2HG2 THR 13 2HG2 THR 13 -0.485 13.296 -10.885 114 3HG2 THR 13 3HG2 THR 13 -1.543 11.922 -10.567 115 H LYS 14 H LYS 14 -2.218 9.686 -11.177 116 HA LYS 14 HA LYS 14 -2.005 7.192 -12.366 117 1HB LYS 14 2HB LYS 14 -3.407 9.688 -13.337 118 2HB LYS 14 1HB LYS 14 -3.559 8.143 -14.173 119 1HG LYS 14 2HG LYS 14 -4.079 8.395 -11.210 120 2HG LYS 14 1HG LYS 14 -5.347 8.688 -12.402 121 1HD LYS 14 2HD LYS 14 -4.507 6.365 -13.372 122 2HD LYS 14 1HD LYS 14 -3.947 6.134 -11.714 123 1HE LYS 14 2HE LYS 14 -6.134 6.338 -10.826 124 2HE LYS 14 1HE LYS 14 -6.760 7.052 -12.312 125 1HZ LYS 14 1HZ LYS 14 -6.366 4.946 -13.438 126 2HZ LYS 14 2HZ LYS 14 -7.415 4.745 -12.118 127 3HZ LYS 14 3HZ LYS 14 -5.790 4.263 -11.997 128 H LYS 15 H LYS 15 -1.244 10.280 -14.031 129 HA LYS 15 HA LYS 15 0.012 8.920 -16.261 130 1HB LYS 15 2HB LYS 15 0.413 11.804 -15.423 131 2HB LYS 15 1HB LYS 15 0.617 11.118 -17.035 132 1HG LYS 15 2HG LYS 15 -2.010 10.454 -16.164 133 2HG LYS 15 1HG LYS 15 -1.769 12.172 -15.840 134 1HD LYS 15 2HD LYS 15 -0.852 11.098 -18.477 135 2HD LYS 15 1HD LYS 15 -2.584 11.332 -18.231 136 1HE LYS 15 2HE LYS 15 -2.331 13.537 -18.589 137 2HE LYS 15 1HE LYS 15 -1.249 13.632 -17.201 138 1HZ LYS 15 1HZ LYS 15 0.315 14.139 -18.680 139 2HZ LYS 15 2HZ LYS 15 -0.636 13.648 -20.000 140 3HZ LYS 15 3HZ LYS 15 0.285 12.507 -19.141 141 H ALA 16 H ALA 16 1.197 10.464 -13.294 142 HA ALA 16 HA ALA 16 3.993 9.833 -14.021 143 1HB ALA 16 1HB ALA 16 2.962 11.911 -12.638 144 2HB ALA 16 2HB ALA 16 4.605 11.322 -12.384 145 3HB ALA 16 3HB ALA 16 3.309 10.818 -11.298 146 H ASP 17 H ASP 17 1.925 7.721 -13.481 147 HA ASP 17 HA ASP 17 2.718 6.523 -10.921 148 1HB ASP 17 2HB ASP 17 0.427 6.252 -11.816 149 2HB ASP 17 1HB ASP 17 1.083 5.399 -13.215 150 H VAL 18 H VAL 18 3.510 6.174 -14.332 151 HA VAL 18 HA VAL 18 5.223 3.829 -13.745 152 HB VAL 18 HB VAL 18 4.800 5.274 -16.378 153 1HG1 VAL 18 1HG1 VAL 18 6.506 3.113 -15.497 154 2HG1 VAL 18 2HG1 VAL 18 6.429 3.889 -17.079 155 3HG1 VAL 18 3HG1 VAL 18 5.367 2.531 -16.711 156 1HG2 VAL 18 1HG2 VAL 18 2.654 4.481 -15.923 157 2HG2 VAL 18 2HG2 VAL 18 3.250 3.124 -14.967 158 3HG2 VAL 18 3HG2 VAL 18 3.367 3.083 -16.727 159 H LYS 19 H LYS 19 5.391 7.239 -13.975 160 HA LYS 19 HA LYS 19 8.269 7.280 -14.629 161 1HB LYS 19 2HB LYS 19 8.076 9.640 -14.698 162 2HB LYS 19 1HB LYS 19 6.535 9.066 -15.335 163 1HG LYS 19 2HG LYS 19 5.786 10.623 -13.787 164 2HG LYS 19 1HG LYS 19 5.820 9.175 -12.780 165 1HD LYS 19 2HD LYS 19 7.096 10.463 -11.397 166 2HD LYS 19 1HD LYS 19 8.393 10.037 -12.513 167 1HE LYS 19 2HE LYS 19 8.324 12.096 -13.596 168 2HE LYS 19 1HE LYS 19 6.645 12.392 -13.143 169 1HZ LYS 19 1HZ LYS 19 7.940 12.208 -10.762 170 2HZ LYS 19 2HZ LYS 19 7.483 13.651 -11.533 171 3HZ LYS 19 3HZ LYS 19 9.054 13.038 -11.736 172 H ALA 20 H ALA 20 6.153 7.610 -11.828 173 HA ALA 20 HA ALA 20 8.279 8.427 -10.010 174 1HB ALA 20 1HB ALA 20 6.604 7.890 -8.243 175 2HB ALA 20 2HB ALA 20 5.535 7.240 -9.487 176 3HB ALA 20 3HB ALA 20 5.947 8.955 -9.485 177 H ILE 21 H ILE 21 7.599 5.533 -11.572 178 HA ILE 21 HA ILE 21 8.545 3.837 -9.342 179 HB ILE 21 HB ILE 21 7.604 3.226 -12.158 180 1HG1 ILE 21 2HG1 ILE 21 5.576 2.690 -11.241 181 2HG1 ILE 21 1HG1 ILE 21 6.304 2.024 -9.792 182 1HG2 ILE 21 1HG2 ILE 21 9.396 1.722 -10.612 183 2HG2 ILE 21 2HG2 ILE 21 8.463 1.149 -11.993 184 3HG2 ILE 21 3HG2 ILE 21 7.831 0.954 -10.359 185 1HD1 ILE 21 1HD1 ILE 21 5.878 4.962 -10.386 186 2HD1 ILE 21 2HD1 ILE 21 6.715 4.340 -8.964 187 3HD1 ILE 21 3HD1 ILE 21 5.001 3.997 -9.198 188 H ALA 22 H ALA 22 9.655 5.149 -12.430 189 HA ALA 22 HA ALA 22 12.143 3.567 -12.280 190 1HB ALA 22 1HB ALA 22 12.305 5.626 -14.254 191 2HB ALA 22 2HB ALA 22 10.692 4.920 -14.340 192 3HB ALA 22 3HB ALA 22 12.114 3.890 -14.505 193 H ASP 23 H ASP 23 11.025 6.839 -11.645 194 HA ASP 23 HA ASP 23 13.792 7.758 -11.146 195 1HB ASP 23 2HB ASP 23 12.058 9.176 -12.354 196 2HB ASP 23 1HB ASP 23 11.236 9.340 -10.801 197 H ALA 24 H ALA 24 11.119 6.488 -9.374 198 HA ALA 24 HA ALA 24 12.091 7.724 -6.864 199 1HB ALA 24 1HB ALA 24 9.612 7.463 -7.392 200 2HB ALA 24 2HB ALA 24 10.131 6.869 -5.815 201 3HB ALA 24 3HB ALA 24 9.836 5.735 -7.129 202 H TRP 25 H TRP 25 12.064 6.036 -4.961 203 HA TRP 25 HA TRP 25 13.120 4.265 -3.913 204 1HB TRP 25 2HB TRP 25 13.636 2.630 -6.307 205 2HB TRP 25 1HB TRP 25 12.960 2.172 -4.765 206 HD1 TRP 25 HD1 TRP 25 10.584 4.701 -5.777 207 HE1 TRP 25 HE1 TRP 25 8.679 3.748 -7.165 208 HE3 TRP 25 HE3 TRP 25 12.471 0.081 -6.907 209 HZ2 TRP 25 HZ2 TRP 25 8.016 1.364 -8.551 210 HZ3 TRP 25 HZ3 TRP 25 11.137 -1.494 -8.250 211 HH2 TRP 25 HH2 TRP 25 8.916 -0.850 -9.078 212 H GLN 26 H GLN 26 15.190 2.598 -5.413 213 HA GLN 26 HA GLN 26 17.314 4.654 -5.260 214 1HB GLN 26 2HB GLN 26 17.350 2.303 -4.133 215 2HB GLN 26 1HB GLN 26 17.757 1.715 -5.745 216 1HG GLN 26 2HG GLN 26 19.898 2.161 -5.097 217 2HG GLN 26 1HG GLN 26 19.475 3.817 -5.540 218 1HE2 GLN 26 1HE2 GLN 26 19.480 5.370 -3.877 219 2HE2 GLN 26 2HE2 GLN 26 19.664 5.002 -2.229 220 H ILE 27 H ILE 27 16.465 5.570 -7.423 221 HA ILE 27 HA ILE 27 17.390 3.900 -9.716 222 HB ILE 27 HB ILE 27 15.484 4.605 -10.691 223 1HG1 ILE 27 2HG1 ILE 27 17.162 6.329 -11.603 224 2HG1 ILE 27 1HG1 ILE 27 15.453 6.715 -11.773 225 1HG2 ILE 27 1HG2 ILE 27 13.863 5.782 -9.574 226 2HG2 ILE 27 2HG2 ILE 27 15.002 6.916 -8.856 227 3HG2 ILE 27 3HG2 ILE 27 14.876 5.280 -8.233 228 1HD1 ILE 27 1HD1 ILE 27 15.513 8.331 -10.082 229 2HD1 ILE 27 2HD1 ILE 27 17.088 8.544 -10.849 230 3HD1 ILE 27 3HD1 ILE 27 16.957 7.642 -9.340 231 H ASN 28 H ASN 28 18.253 6.597 -7.797 232 HA ASN 28 HA ASN 28 20.715 6.938 -9.315 233 1HB ASN 28 2HB ASN 28 18.973 8.329 -10.568 234 2HB ASN 28 1HB ASN 28 18.903 9.352 -9.133 235 1HD2 ASN 28 1HD2 ASN 28 21.294 9.971 -8.329 236 2HD2 ASN 28 2HD2 ASN 28 22.347 10.475 -9.557 237 H GLY 29 H GLY 29 18.536 8.174 -6.804 238 1HA GLY 29 2HA GLY 29 19.310 8.308 -4.484 239 2HA GLY 29 1HA GLY 29 20.939 8.606 -5.097 240 H GLU 30 H GLU 30 19.943 10.490 -7.153 241 HA GLU 30 HA GLU 30 19.487 12.805 -5.332 242 1HB GLU 30 2HB GLU 30 21.525 13.110 -6.543 243 2HB GLU 30 1HB GLU 30 20.785 12.589 -8.057 244 1HG GLU 30 2HG GLU 30 19.764 14.611 -8.414 245 2HG GLU 30 1HG GLU 30 19.517 14.908 -6.692 246 H LYS 31 H LYS 31 18.298 11.102 -8.157 247 HA LYS 31 HA LYS 31 16.221 13.145 -8.644 248 1HB LYS 31 2HB LYS 31 17.165 10.672 -10.043 249 2HB LYS 31 1HB LYS 31 15.518 11.230 -10.342 250 1HG LYS 31 2HG LYS 31 16.419 12.649 -11.853 251 2HG LYS 31 1HG LYS 31 17.024 13.563 -10.471 252 1HD LYS 31 2HD LYS 31 19.132 12.423 -10.524 253 2HD LYS 31 1HD LYS 31 18.530 11.236 -11.683 254 1HE LYS 31 2HE LYS 31 18.049 13.703 -12.907 255 2HE LYS 31 1HE LYS 31 19.642 13.882 -12.171 256 1HZ LYS 31 1HZ LYS 31 19.351 11.336 -13.398 257 2HZ LYS 31 2HZ LYS 31 20.523 12.534 -13.672 258 3HZ LYS 31 3HZ LYS 31 19.049 12.576 -14.515 259 H GLU 32 H GLU 32 16.559 9.933 -7.218 260 HA GLU 32 HA GLU 32 13.665 9.558 -6.983 261 1HB GLU 32 2HB GLU 32 14.261 7.576 -5.628 262 2HB GLU 32 1HB GLU 32 15.154 7.597 -7.146 263 1HG GLU 32 2HG GLU 32 16.811 7.096 -5.547 264 2HG GLU 32 1HG GLU 32 16.998 8.832 -5.794 265 H LEU 33 H LEU 33 16.106 11.185 -5.175 266 HA LEU 33 HA LEU 33 14.698 11.058 -2.622 267 1HB LEU 33 2HB LEU 33 16.393 12.471 -1.781 268 2HB LEU 33 1HB LEU 33 17.224 11.529 -3.016 269 HG LEU 33 HG LEU 33 16.503 13.497 -4.604 270 1HD1 LEU 33 1HD1 LEU 33 16.885 15.515 -2.687 271 2HD1 LEU 33 2HD1 LEU 33 15.694 14.426 -1.974 272 3HD1 LEU 33 3HD1 LEU 33 15.391 15.154 -3.552 273 1HD2 LEU 33 1HD2 LEU 33 18.608 14.377 -2.690 274 2HD2 LEU 33 2HD2 LEU 33 18.677 14.227 -4.446 275 3HD2 LEU 33 3HD2 LEU 33 18.829 12.792 -3.431 276 H GLU 34 H GLU 34 14.800 13.233 -5.396 277 HA GLU 34 HA GLU 34 13.380 15.411 -4.218 278 1HB GLU 34 2HB GLU 34 14.688 15.241 -6.474 279 2HB GLU 34 1HB GLU 34 13.153 14.659 -7.124 280 1HG GLU 34 2HG GLU 34 12.058 16.696 -6.116 281 2HG GLU 34 1HG GLU 34 13.678 17.279 -5.736 282 H LEU 35 H LEU 35 12.213 12.732 -6.322 283 HA LEU 35 HA LEU 35 9.503 13.350 -6.308 284 1HB LEU 35 2HB LEU 35 10.602 11.436 -7.554 285 2HB LEU 35 1HB LEU 35 10.636 10.546 -6.035 286 HG LEU 35 HG LEU 35 8.611 10.278 -7.758 287 1HD1 LEU 35 1HD1 LEU 35 8.890 9.119 -5.573 288 2HD1 LEU 35 2HD1 LEU 35 7.216 9.577 -5.874 289 3HD1 LEU 35 3HD1 LEU 35 8.204 10.526 -4.767 290 1HD2 LEU 35 1HD2 LEU 35 7.757 12.588 -5.987 291 2HD2 LEU 35 2HD2 LEU 35 6.726 11.722 -7.128 292 3HD2 LEU 35 3HD2 LEU 35 8.068 12.702 -7.718 293 H LEU 36 H LEU 36 11.201 11.254 -3.951 294 HA LEU 36 HA LEU 36 8.943 11.006 -2.233 295 1HB LEU 36 2HB LEU 36 11.249 9.706 -2.308 296 2HB LEU 36 1HB LEU 36 11.740 10.947 -1.151 297 HG LEU 36 HG LEU 36 10.778 8.905 -0.058 298 1HD1 LEU 36 1HD1 LEU 36 8.807 11.084 0.440 299 2HD1 LEU 36 2HD1 LEU 36 10.502 11.500 0.631 300 3HD1 LEU 36 3HD1 LEU 36 9.798 10.197 1.589 301 1HD2 LEU 36 1HD2 LEU 36 8.096 9.827 -1.044 302 2HD2 LEU 36 2HD2 LEU 36 8.582 8.229 -0.475 303 3HD2 LEU 36 3HD2 LEU 36 9.068 8.782 -2.078 304 H GLN 37 H GLN 37 11.320 13.500 -2.668 305 HA GLN 37 HA GLN 37 11.131 14.804 -0.161 306 1HB GLN 37 2HB GLN 37 12.630 15.342 -2.232 307 2HB GLN 37 1HB GLN 37 11.271 16.335 -2.755 308 1HG GLN 37 2HG GLN 37 11.725 17.939 -1.228 309 2HG GLN 37 1HG GLN 37 11.950 16.754 0.061 310 1HE2 GLN 37 1HE2 GLN 37 13.778 16.803 -3.006 311 2HE2 GLN 37 2HE2 GLN 37 15.283 17.132 -2.294 312 H GLN 38 H GLN 38 8.780 14.307 -2.556 313 HA GLN 38 HA GLN 38 6.905 16.031 -1.070 314 1HB GLN 38 2HB GLN 38 7.732 17.385 -2.989 315 2HB GLN 38 1HB GLN 38 7.193 16.116 -4.089 316 1HG GLN 38 2HG GLN 38 5.140 17.034 -4.098 317 2HG GLN 38 1HG GLN 38 5.007 16.689 -2.373 318 1HE2 GLN 38 1HE2 GLN 38 7.005 18.458 -1.369 319 2HE2 GLN 38 2HE2 GLN 38 6.515 20.056 -1.669 320 H ILE 39 H ILE 39 7.499 13.029 -1.661 321 HA ILE 39 HA ILE 39 4.747 12.424 -2.597 322 HB ILE 39 HB ILE 39 7.312 11.196 -3.359 323 1HG1 ILE 39 2HG1 ILE 39 6.188 11.050 -5.485 324 2HG1 ILE 39 1HG1 ILE 39 4.613 11.266 -4.736 325 1HG2 ILE 39 1HG2 ILE 39 4.762 9.639 -2.846 326 2HG2 ILE 39 2HG2 ILE 39 6.373 9.287 -2.225 327 3HG2 ILE 39 3HG2 ILE 39 6.020 9.064 -3.938 328 1HD1 ILE 39 1HD1 ILE 39 4.881 13.535 -4.497 329 2HD1 ILE 39 2HD1 ILE 39 5.905 13.292 -5.910 330 3HD1 ILE 39 3HD1 ILE 39 6.629 13.416 -4.310 331 H ALA 40 H ALA 40 7.302 11.351 -0.334 332 HA ALA 40 HA ALA 40 5.526 9.359 0.885 333 1HB ALA 40 1HB ALA 40 7.220 9.094 2.602 334 2HB ALA 40 2HB ALA 40 8.011 10.589 2.111 335 3HB ALA 40 3HB ALA 40 8.033 9.188 1.045 336 H GLN 41 H GLN 41 5.705 12.664 0.924 337 HA GLN 41 HA GLN 41 4.581 12.889 3.651 338 1HB GLN 41 2HB GLN 41 5.305 15.119 1.769 339 2HB GLN 41 1HB GLN 41 5.137 15.206 3.525 340 1HG GLN 41 2HG GLN 41 7.160 14.125 3.908 341 2HG GLN 41 1HG GLN 41 7.128 13.280 2.374 342 1HE2 GLN 41 1HE2 GLN 41 9.236 13.987 1.748 343 2HE2 GLN 41 2HE2 GLN 41 9.563 15.595 1.335 344 H LYS 42 H LYS 42 3.724 12.747 0.394 345 HA LYS 42 HA LYS 42 0.943 13.537 1.146 346 1HB LYS 42 2HB LYS 42 0.727 14.520 -1.206 347 2HB LYS 42 1HB LYS 42 1.663 15.463 -0.047 348 1HG LYS 42 2HG LYS 42 3.190 15.477 -1.749 349 2HG LYS 42 1HG LYS 42 3.634 13.921 -1.052 350 1HD LYS 42 2HD LYS 42 3.338 13.714 -3.482 351 2HD LYS 42 1HD LYS 42 2.101 12.786 -2.639 352 1HE LYS 42 2HE LYS 42 1.286 14.241 -4.579 353 2HE LYS 42 1HE LYS 42 0.437 14.447 -3.047 354 1HZ LYS 42 1HZ LYS 42 2.729 16.139 -3.862 355 2HZ LYS 42 2HZ LYS 42 1.639 16.407 -2.586 356 3HZ LYS 42 3HZ LYS 42 1.118 16.549 -4.197 357 HA PRO 43 HA PRO 43 1.458 9.688 -1.626 358 1HB PRO 43 2HB PRO 43 1.474 7.702 0.275 359 2HB PRO 43 1HB PRO 43 2.943 8.399 -0.428 360 1HG PRO 43 2HG PRO 43 1.714 8.915 2.253 361 2HG PRO 43 1HG PRO 43 3.422 8.915 1.772 362 1HD PRO 43 2HD PRO 43 1.924 11.239 2.143 363 2HD PRO 43 1HD PRO 43 3.374 11.113 1.138 364 H GLY 44 H GLY 44 0.037 8.341 1.270 365 1HA GLY 44 2HA GLY 44 -2.211 7.958 1.866 366 2HA GLY 44 1HA GLY 44 -2.676 9.222 0.723 367 H ALA 45 H ALA 45 -0.700 7.225 -0.975 368 HA ALA 45 HA ALA 45 -2.763 5.228 -1.653 369 1HB ALA 45 1HB ALA 45 -3.249 6.033 -3.714 370 2HB ALA 45 2HB ALA 45 -1.577 6.492 -4.030 371 3HB ALA 45 3HB ALA 45 -2.624 7.560 -3.095 372 H LEU 46 H LEU 46 0.559 6.065 -1.306 373 HA LEU 46 HA LEU 46 1.908 4.481 -3.144 374 1HB LEU 46 2HB LEU 46 3.231 5.689 -1.582 375 2HB LEU 46 1HB LEU 46 2.399 4.983 -0.205 376 HG LEU 46 HG LEU 46 4.810 4.158 -0.860 377 1HD1 LEU 46 1HD1 LEU 46 2.440 2.591 0.070 378 2HD1 LEU 46 2HD1 LEU 46 3.893 3.063 0.946 379 3HD1 LEU 46 3HD1 LEU 46 3.956 1.739 -0.215 380 1HD2 LEU 46 1HD2 LEU 46 3.403 3.398 -3.194 381 2HD2 LEU 46 2HD2 LEU 46 3.709 1.908 -2.310 382 3HD2 LEU 46 3HD2 LEU 46 5.049 2.959 -2.750 383 H ARG 47 H ARG 47 0.017 3.484 -0.346 384 HA ARG 47 HA ARG 47 0.724 0.779 -0.135 385 1HB ARG 47 2HB ARG 47 -1.399 2.450 0.764 386 2HB ARG 47 1HB ARG 47 -2.123 0.988 0.094 387 1HG ARG 47 2HG ARG 47 0.102 0.088 1.552 388 2HG ARG 47 1HG ARG 47 -0.644 1.323 2.568 389 1HD ARG 47 2HD ARG 47 -2.634 0.151 2.772 390 2HD ARG 47 1HD ARG 47 -2.420 -0.687 1.236 391 HE ARG 47 HE ARG 47 -0.693 -2.094 2.396 392 1HH1 ARG 47 2HH1 ARG 47 -0.412 -0.425 4.869 393 2HH1 ARG 47 1HH1 ARG 47 -1.381 -1.298 6.009 394 1HH2 ARG 47 1HH2 ARG 47 -3.035 -3.147 3.585 395 2HH2 ARG 47 2HH2 ARG 47 -2.868 -2.840 5.281 396 H ILE 48 H ILE 48 -1.812 2.160 -2.276 397 HA ILE 48 HA ILE 48 -2.660 -0.236 -3.476 398 HB ILE 48 HB ILE 48 -2.308 2.505 -4.730 399 1HG1 ILE 48 2HG1 ILE 48 -3.869 2.577 -2.898 400 2HG1 ILE 48 1HG1 ILE 48 -4.827 2.522 -4.377 401 1HG2 ILE 48 1HG2 ILE 48 -2.425 0.851 -6.502 402 2HG2 ILE 48 2HG2 ILE 48 -3.989 1.658 -6.392 403 3HG2 ILE 48 3HG2 ILE 48 -3.779 0.044 -5.713 404 1HD1 ILE 48 1HD1 ILE 48 -5.864 0.893 -3.049 405 2HD1 ILE 48 2HD1 ILE 48 -4.336 0.337 -2.369 406 3HD1 ILE 48 3HD1 ILE 48 -4.759 -0.068 -4.032 407 H LEU 49 H LEU 49 -0.251 1.962 -4.990 408 HA LEU 49 HA LEU 49 0.732 -0.186 -6.687 409 1HB LEU 49 2HB LEU 49 2.480 2.177 -6.194 410 2HB LEU 49 1HB LEU 49 2.018 1.426 -7.720 411 HG LEU 49 HG LEU 49 -0.394 2.401 -6.827 412 1HD1 LEU 49 1HD1 LEU 49 1.625 4.577 -6.272 413 2HD1 LEU 49 2HD1 LEU 49 0.996 3.548 -4.986 414 3HD1 LEU 49 3HD1 LEU 49 -0.101 4.573 -5.910 415 1HD2 LEU 49 1HD2 LEU 49 0.422 2.633 -9.099 416 2HD2 LEU 49 2HD2 LEU 49 1.717 3.707 -8.568 417 3HD2 LEU 49 3HD2 LEU 49 0.039 4.245 -8.491 418 H ASN 50 H ASN 50 1.095 0.394 -3.435 419 HA ASN 50 HA ASN 50 3.914 -0.163 -3.080 420 1HB ASN 50 2HB ASN 50 2.675 0.876 -1.242 421 2HB ASN 50 1HB ASN 50 1.584 -0.501 -1.168 422 1HD2 ASN 50 1HD2 ASN 50 5.158 0.029 -1.142 423 2HD2 ASN 50 2HD2 ASN 50 5.454 -1.085 0.106 424 H HIS 51 H HIS 51 1.055 -2.090 -3.574 425 HA HIS 51 HA HIS 51 1.745 -4.559 -2.516 426 1HB HIS 51 2HB HIS 51 -0.319 -4.286 -3.773 427 2HB HIS 51 1HB HIS 51 0.576 -3.933 -5.251 428 HD1 HIS 51 HD1 HIS 51 0.474 -6.786 -2.699 429 HD2 HIS 51 HD2 HIS 51 0.843 -6.189 -6.806 430 HE1 HIS 51 HE1 HIS 51 0.607 -9.087 -3.748 431 H SER 52 H SER 52 3.223 -2.791 -5.142 432 HA SER 52 HA SER 52 5.328 -4.880 -5.271 433 1HB SER 52 2HB SER 52 4.745 -3.285 -7.698 434 2HB SER 52 1HB SER 52 5.214 -4.977 -7.542 435 HG SER 52 HG SER 52 2.697 -3.759 -7.377 436 H LEU 53 H LEU 53 4.552 -1.639 -4.631 437 HA LEU 53 HA LEU 53 7.121 -0.567 -5.583 438 1HB LEU 53 2HB LEU 53 4.613 0.605 -4.790 439 2HB LEU 53 1HB LEU 53 5.901 1.291 -3.812 440 HG LEU 53 HG LEU 53 7.064 2.113 -5.688 441 1HD1 LEU 53 1HD1 LEU 53 7.198 0.246 -7.122 442 2HD1 LEU 53 2HD1 LEU 53 6.262 1.419 -8.041 443 3HD1 LEU 53 3HD1 LEU 53 5.450 0.088 -7.222 444 1HD2 LEU 53 1HD2 LEU 53 4.741 2.650 -7.220 445 2HD2 LEU 53 2HD2 LEU 53 5.508 3.700 -6.029 446 3HD2 LEU 53 3HD2 LEU 53 4.229 2.591 -5.533 447 H ARG 54 H ARG 54 5.896 -2.094 -2.819 448 HA ARG 54 HA ARG 54 7.474 -0.961 -0.764 449 1HB ARG 54 2HB ARG 54 5.738 -2.828 -0.534 450 2HB ARG 54 1HB ARG 54 6.984 -3.936 -1.112 451 1HG ARG 54 2HG ARG 54 8.387 -3.504 0.761 452 2HG ARG 54 1HG ARG 54 7.455 -2.080 1.225 453 1HD ARG 54 2HD ARG 54 5.472 -3.671 1.550 454 2HD ARG 54 1HD ARG 54 6.647 -4.983 1.443 455 HE ARG 54 HE ARG 54 7.691 -3.236 3.353 456 1HH1 ARG 54 2HH1 ARG 54 5.435 -5.734 2.990 457 2HH1 ARG 54 1HH1 ARG 54 4.811 -5.626 4.602 458 1HH2 ARG 54 1HH2 ARG 54 6.611 -2.766 5.385 459 2HH2 ARG 54 2HH2 ARG 54 5.478 -3.944 5.960 460 H LEU 55 H LEU 55 8.290 -2.806 -3.573 461 HA LEU 55 HA LEU 55 10.835 -3.859 -2.829 462 1HB LEU 55 2HB LEU 55 9.269 -3.557 -5.233 463 2HB LEU 55 1HB LEU 55 10.934 -3.069 -5.554 464 HG LEU 55 HG LEU 55 10.465 -5.545 -5.873 465 1HD1 LEU 55 1HD1 LEU 55 12.469 -5.944 -3.994 466 2HD1 LEU 55 2HD1 LEU 55 12.605 -4.227 -4.374 467 3HD1 LEU 55 3HD1 LEU 55 12.715 -5.429 -5.662 468 1HD2 LEU 55 1HD2 LEU 55 9.632 -6.792 -4.172 469 2HD2 LEU 55 2HD2 LEU 55 9.223 -5.260 -3.400 470 3HD2 LEU 55 3HD2 LEU 55 10.739 -6.070 -3.005 471 H ALA 56 H ALA 56 9.846 -0.750 -4.181 472 HA ALA 56 HA ALA 56 12.031 0.605 -4.928 473 1HB ALA 56 1HB ALA 56 11.158 2.624 -3.907 474 2HB ALA 56 2HB ALA 56 10.239 1.681 -2.734 475 3HB ALA 56 3HB ALA 56 9.797 1.637 -4.440 476 H ALA 57 H ALA 57 11.418 -0.415 -1.597 477 HA ALA 57 HA ALA 57 14.064 0.668 -0.768 478 1HB ALA 57 1HB ALA 57 12.036 -0.647 1.041 479 2HB ALA 57 2HB ALA 57 11.890 1.048 0.580 480 3HB ALA 57 3HB ALA 57 13.308 0.496 1.472 481 H MET 58 H MET 58 12.226 -2.338 -1.095 482 HA MET 58 HA MET 58 14.146 -4.065 0.159 483 1HB MET 58 2HB MET 58 11.661 -4.342 -1.215 484 2HB MET 58 1HB MET 58 12.818 -5.425 -1.989 485 1HG MET 58 2HG MET 58 13.322 -6.511 0.090 486 2HG MET 58 1HG MET 58 12.449 -5.287 1.012 487 1HE MET 58 1HE MET 58 11.719 -9.073 -0.178 488 2HE MET 58 2HE MET 58 12.684 -8.017 -1.207 489 3HE MET 58 3HE MET 58 11.084 -8.532 -1.738 490 H THR 59 H THR 59 16.245 -3.559 -0.604 491 HA THR 59 HA THR 59 16.743 -3.624 -3.513 492 HB THR 59 HB THR 59 17.906 -1.946 -2.119 493 HG1 THR 59 HG1 THR 59 18.908 -3.253 -3.972 494 1HG2 THR 59 1HG2 THR 59 18.742 -4.423 -0.657 495 2HG2 THR 59 2HG2 THR 59 18.233 -2.863 -0.012 496 3HG2 THR 59 3HG2 THR 59 19.846 -3.049 -0.700 497 H ALA 60 H ALA 60 15.949 -6.068 -1.881 498 HA ALA 60 HA ALA 60 18.305 -7.750 -2.644 499 1HB ALA 60 1HB ALA 60 17.377 -9.364 -0.883 500 2HB ALA 60 2HB ALA 60 16.364 -8.026 -0.339 501 3HB ALA 60 3HB ALA 60 18.121 -7.888 -0.266 502 H HIS 61 H HIS 61 14.806 -8.059 -1.987 503 HA HIS 61 HA HIS 61 13.249 -9.539 -2.980 504 1HB HIS 61 2HB HIS 61 13.519 -7.408 -4.460 505 2HB HIS 61 1HB HIS 61 14.353 -8.490 -5.578 506 HD1 HIS 61 HD1 HIS 61 12.050 -10.600 -3.953 507 HD2 HIS 61 HD2 HIS 61 11.619 -7.703 -6.923 508 HE1 HIS 61 HE1 HIS 61 9.850 -11.077 -5.108 509 H GLY 62 H GLY 62 14.034 -11.646 -2.599 510 1HA GLY 62 2HA GLY 62 16.086 -12.772 -4.383 511 2HA GLY 62 1HA GLY 62 15.281 -13.622 -3.062 512 H LYS 63 H LYS 63 14.394 -12.134 -6.200 513 HA LYS 63 HA LYS 63 13.160 -14.647 -7.062 514 1HB LYS 63 2HB LYS 63 11.414 -13.523 -5.628 515 2HB LYS 63 1HB LYS 63 11.425 -12.181 -6.771 516 1HG LYS 63 2HG LYS 63 9.624 -13.658 -7.404 517 2HG LYS 63 1HG LYS 63 10.907 -13.837 -8.600 518 1HD LYS 63 2HD LYS 63 11.680 -15.881 -7.566 519 2HD LYS 63 1HD LYS 63 10.582 -15.661 -6.203 520 1HE LYS 63 2HE LYS 63 9.209 -17.027 -7.407 521 2HE LYS 63 1HE LYS 63 8.827 -15.544 -8.283 522 1HZ LYS 63 1HZ LYS 63 9.450 -17.388 -9.756 523 2HZ LYS 63 2HZ LYS 63 10.985 -17.443 -9.029 524 3HZ LYS 63 3HZ LYS 63 10.505 -16.067 -9.901 525 H GLY 64 H GLY 64 13.564 -11.155 -7.680 526 1HA GLY 64 2HA GLY 64 14.816 -11.503 -10.192 527 2HA GLY 64 1HA GLY 64 13.092 -11.294 -10.498 528 H GLU 65 H GLU 65 16.009 -9.667 -9.924 529 HA GLU 65 HA GLU 65 14.605 -7.079 -10.003 530 1HB GLU 65 2HB GLU 65 15.793 -6.186 -8.040 531 2HB GLU 65 1HB GLU 65 14.783 -7.556 -7.580 532 1HG GLU 65 2HG GLU 65 16.583 -8.921 -7.156 533 2HG GLU 65 1HG GLU 65 17.585 -8.160 -8.392 534 H ARG 66 H ARG 66 15.909 -5.463 -10.934 535 HA ARG 66 HA ARG 66 18.392 -6.458 -12.192 536 1HB ARG 66 2HB ARG 66 16.408 -4.936 -13.202 537 2HB ARG 66 1HB ARG 66 17.481 -3.659 -12.626 538 1HG ARG 66 2HG ARG 66 19.262 -5.362 -13.825 539 2HG ARG 66 1HG ARG 66 17.845 -5.553 -14.858 540 1HD ARG 66 2HD ARG 66 18.146 -3.514 -15.769 541 2HD ARG 66 1HD ARG 66 18.270 -2.762 -14.178 542 HE ARG 66 HE ARG 66 20.688 -3.277 -14.216 543 1HH1 ARG 66 2HH1 ARG 66 20.711 -5.462 -16.234 544 2HH1 ARG 66 1HH1 ARG 66 21.294 -4.656 -17.652 545 1HH2 ARG 66 1HH2 ARG 66 20.655 -1.474 -16.429 546 2HH2 ARG 66 2HH2 ARG 66 21.261 -2.398 -17.763 547 H VAL 67 H VAL 67 19.442 -3.653 -12.369 548 HA VAL 67 HA VAL 67 20.109 -3.003 -9.570 549 HB VAL 67 HB VAL 67 21.711 -4.823 -10.362 550 1HG1 VAL 67 1HG1 VAL 67 23.194 -2.748 -11.890 551 2HG1 VAL 67 2HG1 VAL 67 21.780 -3.442 -12.684 552 3HG1 VAL 67 3HG1 VAL 67 23.097 -4.489 -12.157 553 1HG2 VAL 67 1HG2 VAL 67 22.629 -2.078 -9.494 554 2HG2 VAL 67 2HG2 VAL 67 23.763 -3.421 -9.649 555 3HG2 VAL 67 3HG2 VAL 67 22.422 -3.526 -8.508 556 H ASN 68 H ASN 68 18.681 -1.349 -11.127 557 HA ASN 68 HA ASN 68 20.143 1.057 -11.218 558 1HB ASN 68 2HB ASN 68 20.778 -0.637 -13.413 559 2HB ASN 68 1HB ASN 68 19.798 0.686 -14.045 560 1HD2 ASN 68 1HD2 ASN 68 21.956 1.338 -15.089 561 2HD2 ASN 68 2HD2 ASN 68 23.029 2.274 -14.165 562 H GLU 69 H GLU 69 18.929 2.450 -13.280 563 HA GLU 69 HA GLU 69 16.423 3.145 -12.370 564 1HB GLU 69 2HB GLU 69 17.883 3.483 -14.834 565 2HB GLU 69 1HB GLU 69 16.179 3.199 -15.194 566 1HG GLU 69 2HG GLU 69 16.881 5.110 -12.996 567 2HG GLU 69 1HG GLU 69 17.045 5.646 -14.669 568 H ASP 70 H ASP 70 17.116 0.507 -14.679 569 HA ASP 70 HA ASP 70 14.398 -0.238 -15.113 570 1HB ASP 70 2HB ASP 70 16.616 -2.260 -15.004 571 2HB ASP 70 1HB ASP 70 15.212 -2.213 -16.069 572 H TYR 71 H TYR 71 16.802 -1.630 -12.847 573 HA TYR 71 HA TYR 71 15.655 -3.572 -11.448 574 1HB TYR 71 2HB TYR 71 17.525 -2.620 -10.379 575 2HB TYR 71 1HB TYR 71 16.798 -1.019 -10.335 576 HD1 TYR 71 HD1 TYR 71 16.545 -0.375 -8.141 577 HD2 TYR 71 HD2 TYR 71 15.489 -4.376 -9.284 578 HE1 TYR 71 HE1 TYR 71 15.656 -0.781 -5.865 579 HE2 TYR 71 HE2 TYR 71 14.601 -4.788 -7.003 580 HH TYR 71 HH TYR 71 14.649 -2.226 -4.517 581 H LEU 72 H LEU 72 14.600 -0.225 -10.956 582 HA LEU 72 HA LEU 72 12.562 -0.662 -9.139 583 1HB LEU 72 2HB LEU 72 12.429 1.244 -11.466 584 2HB LEU 72 1HB LEU 72 11.571 1.382 -9.933 585 HG LEU 72 HG LEU 72 14.502 1.730 -10.486 586 1HD1 LEU 72 1HD1 LEU 72 13.057 3.692 -10.519 587 2HD1 LEU 72 2HD1 LEU 72 14.062 3.734 -9.070 588 3HD1 LEU 72 3HD1 LEU 72 12.374 3.244 -8.956 589 1HD2 LEU 72 1HD2 LEU 72 15.059 1.485 -8.204 590 2HD2 LEU 72 2HD2 LEU 72 14.052 0.083 -8.529 591 3HD2 LEU 72 3HD2 LEU 72 13.377 1.485 -7.708 592 H ARG 73 H ARG 73 12.041 -0.421 -12.647 593 HA ARG 73 HA ARG 73 9.356 -1.446 -12.449 594 1HB ARG 73 2HB ARG 73 9.798 -2.073 -14.958 595 2HB ARG 73 1HB ARG 73 9.759 -0.374 -14.495 596 1HG ARG 73 2HG ARG 73 12.142 -0.219 -14.498 597 2HG ARG 73 1HG ARG 73 12.326 -1.971 -14.589 598 1HD ARG 73 2HD ARG 73 10.691 -0.891 -16.765 599 2HD ARG 73 1HD ARG 73 12.331 -0.241 -16.757 600 HE ARG 73 HE ARG 73 13.040 -2.733 -16.653 601 1HH1 ARG 73 2HH1 ARG 73 12.995 -2.636 -19.326 602 2HH1 ARG 73 1HH1 ARG 73 11.587 -3.474 -19.888 603 1HH2 ARG 73 2HH2 ARG 73 9.876 -3.883 -18.474 604 2HH2 ARG 73 1HH2 ARG 73 9.968 -3.359 -16.826 605 H GLN 74 H GLN 74 12.452 -3.072 -13.106 606 HA GLN 74 HA GLN 74 11.321 -5.655 -13.485 607 1HB GLN 74 2HB GLN 74 13.786 -4.807 -13.883 608 2HB GLN 74 1HB GLN 74 14.017 -5.235 -12.194 609 1HG GLN 74 2HG GLN 74 14.576 -7.252 -13.165 610 2HG GLN 74 1HG GLN 74 12.841 -7.495 -12.958 611 1HE2 GLN 74 1HE2 GLN 74 11.454 -7.156 -14.898 612 2HE2 GLN 74 2HE2 GLN 74 12.126 -7.273 -16.451 613 H ALA 75 H ALA 75 11.506 -3.687 -10.791 614 HA ALA 75 HA ALA 75 11.598 -5.841 -8.802 615 1HB ALA 75 1HB ALA 75 10.890 -3.374 -7.610 616 2HB ALA 75 2HB ALA 75 12.022 -2.967 -8.897 617 3HB ALA 75 3HB ALA 75 12.496 -4.104 -7.637 618 H PHE 76 H PHE 76 9.423 -3.138 -9.542 619 HA PHE 76 HA PHE 76 7.152 -4.647 -8.412 620 1HB PHE 76 2HB PHE 76 6.334 -2.609 -7.805 621 2HB PHE 76 1HB PHE 76 7.973 -2.061 -8.085 622 HD1 PHE 76 HD1 PHE 76 8.281 -1.943 -10.934 623 HD2 PHE 76 HD2 PHE 76 4.828 -1.033 -8.555 624 HE1 PHE 76 HE1 PHE 76 7.435 -0.457 -12.721 625 HE2 PHE 76 HE2 PHE 76 3.982 0.460 -10.333 626 HZ PHE 76 HZ PHE 76 5.288 0.740 -12.439 627 H ARG 77 H ARG 77 8.363 -5.199 -11.139 628 HA ARG 77 HA ARG 77 5.795 -5.104 -12.613 629 1HB ARG 77 2HB ARG 77 8.005 -3.339 -13.186 630 2HB ARG 77 1HB ARG 77 7.759 -4.421 -14.540 631 1HG ARG 77 2HG ARG 77 5.654 -2.675 -13.238 632 2HG ARG 77 1HG ARG 77 6.374 -2.436 -14.830 633 1HD ARG 77 2HD ARG 77 5.513 -4.998 -15.077 634 2HD ARG 77 1HD ARG 77 4.298 -4.366 -13.967 635 HE ARG 77 HE ARG 77 3.698 -2.705 -15.670 636 1HH1 ARG 77 2HH1 ARG 77 2.908 -3.065 -17.824 637 2HH1 ARG 77 1HH1 ARG 77 4.003 -3.750 -18.977 638 1HH2 ARG 77 2HH2 ARG 77 6.002 -4.553 -18.299 639 2HH2 ARG 77 1HH2 ARG 77 6.443 -4.485 -16.626 640 H GLU 78 H GLU 78 9.166 -6.196 -12.494 641 HA GLU 78 HA GLU 78 9.070 -8.093 -14.585 642 1HB GLU 78 2HB GLU 78 11.112 -8.786 -13.797 643 2HB GLU 78 1HB GLU 78 10.986 -7.303 -12.870 644 1HG GLU 78 2HG GLU 78 11.530 -8.842 -11.205 645 2HG GLU 78 1HG GLU 78 9.767 -8.833 -11.111 646 H LEU 79 H LEU 79 7.466 -8.095 -11.539 647 HA LEU 79 HA LEU 79 6.966 -11.019 -11.711 648 1HB LEU 79 2HB LEU 79 6.304 -9.005 -9.551 649 2HB LEU 79 1HB LEU 79 5.933 -10.727 -9.465 650 HG LEU 79 HG LEU 79 8.599 -10.745 -10.154 651 1HD1 LEU 79 1HD1 LEU 79 9.749 -9.001 -9.237 652 2HD1 LEU 79 2HD1 LEU 79 8.615 -8.828 -7.896 653 3HD1 LEU 79 3HD1 LEU 79 8.227 -8.142 -9.473 654 1HD2 LEU 79 1HD2 LEU 79 7.035 -11.049 -7.627 655 2HD2 LEU 79 2HD2 LEU 79 8.792 -11.006 -7.498 656 3HD2 LEU 79 3HD2 LEU 79 8.012 -12.237 -8.491 657 H ASP 80 H ASP 80 4.843 -8.256 -10.789 658 HA ASP 80 HA ASP 80 3.040 -8.406 -12.923 659 1HB ASP 80 2HB ASP 80 1.277 -9.905 -11.714 660 2HB ASP 80 1HB ASP 80 2.572 -10.664 -12.652 661 H LEU 81 H LEU 81 3.016 -8.391 -9.363 662 HA LEU 81 HA LEU 81 2.188 -6.739 -7.932 663 1HB LEU 81 2HB LEU 81 0.795 -5.404 -10.239 664 2HB LEU 81 1HB LEU 81 1.383 -4.707 -8.740 665 HG LEU 81 HG LEU 81 2.898 -5.362 -11.232 666 1HD1 LEU 81 1HD1 LEU 81 3.115 -3.131 -11.194 667 2HD1 LEU 81 2HD1 LEU 81 3.946 -3.231 -9.640 668 3HD1 LEU 81 3HD1 LEU 81 2.190 -3.072 -9.693 669 1HD2 LEU 81 1HD2 LEU 81 3.801 -6.016 -8.519 670 2HD2 LEU 81 2HD2 LEU 81 4.864 -4.884 -9.334 671 3HD2 LEU 81 3HD2 LEU 81 4.516 -6.445 -10.065 672 H ASP 82 H ASP 82 0.907 -9.236 -8.704 673 HA ASP 82 HA ASP 82 -1.868 -8.476 -7.996 674 1HB ASP 82 2HB ASP 82 -2.763 -10.169 -9.563 675 2HB ASP 82 1HB ASP 82 -1.876 -8.898 -10.406 676 H VAL 83 H VAL 83 0.774 -10.657 -7.634 677 HA VAL 83 HA VAL 83 -0.358 -11.816 -5.266 678 HB VAL 83 HB VAL 83 -0.041 -14.203 -6.714 679 1HG1 VAL 83 1HG1 VAL 83 -2.593 -12.761 -5.941 680 2HG1 VAL 83 2HG1 VAL 83 -1.603 -13.721 -4.843 681 3HG1 VAL 83 3HG1 VAL 83 -2.414 -14.496 -6.204 682 1HG2 VAL 83 1HG2 VAL 83 -2.005 -12.443 -8.190 683 2HG2 VAL 83 2HG2 VAL 83 -1.408 -14.038 -8.647 684 3HG2 VAL 83 3HG2 VAL 83 -0.344 -12.637 -8.747 685 H ASP 84 H ASP 84 1.993 -12.051 -7.881 686 HA ASP 84 HA ASP 84 3.874 -13.744 -6.552 687 1HB ASP 84 2HB ASP 84 4.122 -11.641 -8.698 688 2HB ASP 84 1HB ASP 84 5.545 -12.461 -8.060 689 H ILE 85 H ILE 85 3.322 -10.263 -6.449 690 HA ILE 85 HA ILE 85 5.607 -9.904 -4.604 691 HB ILE 85 HB ILE 85 4.144 -7.505 -4.672 692 1HG1 ILE 85 2HG1 ILE 85 2.901 -8.518 -6.633 693 2HG1 ILE 85 1HG1 ILE 85 3.772 -7.037 -7.006 694 1HG2 ILE 85 1HG2 ILE 85 6.415 -7.215 -4.698 695 2HG2 ILE 85 2HG2 ILE 85 6.119 -7.037 -6.427 696 3HG2 ILE 85 3HG2 ILE 85 6.685 -8.578 -5.784 697 1HD1 ILE 85 1HD1 ILE 85 4.067 -9.565 -8.256 698 2HD1 ILE 85 2HD1 ILE 85 5.551 -9.262 -7.354 699 3HD1 ILE 85 3HD1 ILE 85 4.998 -8.098 -8.558 700 H SER 86 H SER 86 2.517 -10.981 -4.300 701 HA SER 86 HA SER 86 1.668 -9.508 -1.962 702 1HB SER 86 2HB SER 86 -0.213 -10.847 -2.033 703 2HB SER 86 1HB SER 86 0.340 -11.075 -3.690 704 HG SER 86 HG SER 86 0.597 -13.095 -3.211 705 H THR 87 H THR 87 1.226 -10.948 0.086 706 HA THR 87 HA THR 87 3.826 -12.224 0.781 707 HB THR 87 HB THR 87 1.623 -11.472 2.711 708 HG1 THR 87 HG1 THR 87 2.093 -9.572 1.750 709 1HG2 THR 87 1HG2 THR 87 3.127 -12.005 4.316 710 2HG2 THR 87 2HG2 THR 87 4.452 -11.218 3.458 711 3HG2 THR 87 3HG2 THR 87 3.978 -12.863 3.032 712 H LEU 88 H LEU 88 0.775 -12.999 -0.245 713 HA LEU 88 HA LEU 88 0.777 -15.587 1.217 714 1HB LEU 88 2HB LEU 88 -1.708 -15.017 -0.108 715 2HB LEU 88 1HB LEU 88 -1.402 -15.222 1.608 716 HG LEU 88 HG LEU 88 -0.519 -12.766 1.488 717 1HD1 LEU 88 1HD1 LEU 88 -2.552 -12.391 -0.641 718 2HD1 LEU 88 2HD1 LEU 88 -1.009 -13.067 -1.163 719 3HD1 LEU 88 3HD1 LEU 88 -1.056 -11.505 -0.345 720 1HD2 LEU 88 1HD2 LEU 88 -3.447 -12.733 1.107 721 2HD2 LEU 88 2HD2 LEU 88 -2.486 -12.212 2.491 722 3HD2 LEU 88 3HD2 LEU 88 -2.875 -13.919 2.281 723 H LEU 89 H LEU 89 0.413 -17.487 -0.036 724 HA LEU 89 HA LEU 89 -0.127 -17.409 -2.865 725 1HB LEU 89 2HB LEU 89 2.420 -16.665 -2.398 726 2HB LEU 89 1HB LEU 89 2.637 -18.416 -2.387 727 HG LEU 89 HG LEU 89 2.939 -17.765 -4.659 728 1HD1 LEU 89 1HD1 LEU 89 0.016 -18.480 -4.654 729 2HD1 LEU 89 2HD1 LEU 89 1.214 -19.638 -4.081 730 3HD1 LEU 89 3HD1 LEU 89 1.289 -19.040 -5.738 731 1HD2 LEU 89 1HD2 LEU 89 0.405 -16.133 -4.303 732 2HD2 LEU 89 2HD2 LEU 89 1.244 -16.353 -5.839 733 3HD2 LEU 89 3HD2 LEU 89 2.036 -15.498 -4.516 734 H ARG 90 H ARG 90 1.647 -19.298 -0.389 735 HA ARG 90 HA ARG 90 -0.073 -21.626 -1.124 736 1HB ARG 90 2HB ARG 90 2.323 -21.783 -2.000 737 2HB ARG 90 1HB ARG 90 2.830 -21.868 -0.313 738 1HG ARG 90 2HG ARG 90 2.078 -24.001 -0.065 739 2HG ARG 90 1HG ARG 90 0.623 -23.695 -1.015 740 1HD ARG 90 2HD ARG 90 2.155 -23.655 -3.069 741 2HD ARG 90 1HD ARG 90 3.399 -24.338 -2.023 742 HE ARG 90 HE ARG 90 1.134 -25.963 -1.686 743 1HH1 ARG 90 2HH1 ARG 90 1.949 -28.061 -2.474 744 2HH1 ARG 90 1HH1 ARG 90 2.327 -28.138 -4.163 745 1HH2 ARG 90 2HH2 ARG 90 2.452 -26.240 -5.383 746 2HH2 ARG 90 1HH2 ARG 90 2.170 -24.707 -4.629 747 H ASN 91 HN ASN 91 2.349 -20.699 1.332 748 HA ASN 91 HA ASN 91 1.098 -22.204 3.430 749 1HB ASN 91 2HB ASN 91 2.543 -20.855 4.946 750 2HB ASN 91 1HB ASN 91 3.445 -21.510 3.578 751 1HD2 ASN 91 1HD2 ASN 91 4.901 -19.945 2.873 752 2HD2 ASN 91 2HD2 ASN 91 4.552 -18.291 2.711 Start of MODEL 8 1 1H GLY 1 1H GLY 1 -24.055 7.675 -4.203 2 2H GLY 1 2H GLY 1 -25.518 8.417 -4.644 3 3H GLY 1 3H GLY 1 -24.720 8.888 -3.219 4 1HA GLY 1 1HA GLY 1 -24.107 9.659 -5.914 5 2HA GLY 1 2HA GLY 1 -23.966 10.641 -4.426 6 H SER 2 H SER 2 -22.011 8.124 -4.035 7 HA SER 2 HA SER 2 -20.450 7.974 -6.516 8 1HB SER 2 2HB SER 2 -18.594 8.793 -4.483 9 2HB SER 2 1HB SER 2 -18.919 9.550 -6.040 10 HG SER 2 HG SER 2 -20.537 10.743 -5.100 11 H ARG 3 H ARG 3 -20.573 5.722 -6.358 12 HA ARG 3 HA ARG 3 -19.734 4.425 -3.835 13 1HB ARG 3 2HB ARG 3 -20.559 3.143 -6.457 14 2HB ARG 3 1HB ARG 3 -20.450 2.356 -4.881 15 1HG ARG 3 2HG ARG 3 -22.167 4.768 -4.975 16 2HG ARG 3 1HG ARG 3 -22.760 3.381 -5.890 17 1HD ARG 3 2HD ARG 3 -23.339 2.303 -3.999 18 2HD ARG 3 1HD ARG 3 -21.728 2.530 -3.321 19 HE ARG 3 HE ARG 3 -22.509 4.505 -2.215 20 1HH1 ARG 3 2HH1 ARG 3 -24.247 5.322 -4.653 21 2HH1 ARG 3 1HH1 ARG 3 -25.821 5.291 -3.930 22 1HH2 ARG 3 1HH2 ARG 3 -24.795 3.514 -1.135 23 2HH2 ARG 3 2HH2 ARG 3 -26.130 4.268 -1.939 24 H ILE 4 H ILE 4 -17.780 5.964 -5.425 25 HA ILE 4 HA ILE 4 -15.988 3.747 -6.329 26 HB ILE 4 HB ILE 4 -14.783 5.449 -7.616 27 1HG1 ILE 4 2HG1 ILE 4 -16.768 7.576 -7.155 28 2HG1 ILE 4 1HG1 ILE 4 -15.780 7.205 -5.741 29 1HG2 ILE 4 1HG2 ILE 4 -16.290 5.072 -9.241 30 2HG2 ILE 4 2HG2 ILE 4 -17.318 6.343 -8.578 31 3HG2 ILE 4 3HG2 ILE 4 -17.507 4.678 -8.027 32 1HD1 ILE 4 1HD1 ILE 4 -13.745 7.602 -6.954 33 2HD1 ILE 4 2HD1 ILE 4 -14.810 8.966 -7.295 34 3HD1 ILE 4 3HD1 ILE 4 -14.606 7.686 -8.491 35 H ALA 5 H ALA 5 -13.777 3.786 -5.605 36 HA ALA 5 HA ALA 5 -13.400 4.491 -2.874 37 1HB ALA 5 1HB ALA 5 -11.138 4.246 -4.861 38 2HB ALA 5 2HB ALA 5 -12.048 2.834 -4.323 39 3HB ALA 5 3HB ALA 5 -11.148 3.800 -3.155 40 H LYS 6 H LYS 6 -12.676 6.366 -1.917 41 HA LYS 6 HA LYS 6 -12.245 8.689 -3.726 42 1HB LYS 6 2HB LYS 6 -13.977 8.695 -1.815 43 2HB LYS 6 1HB LYS 6 -12.591 8.800 -0.728 44 1HG LYS 6 2HG LYS 6 -11.873 10.871 -1.702 45 2HG LYS 6 1HG LYS 6 -13.022 10.714 -3.032 46 1HD LYS 6 2HD LYS 6 -13.788 12.312 -1.264 47 2HD LYS 6 1HD LYS 6 -14.899 10.962 -1.502 48 1HE LYS 6 2HE LYS 6 -14.223 9.892 0.483 49 2HE LYS 6 1HE LYS 6 -12.720 10.809 0.573 50 1HZ LYS 6 1HZ LYS 6 -14.780 11.431 2.043 51 2HZ LYS 6 2HZ LYS 6 -15.246 12.284 0.650 52 3HZ LYS 6 3HZ LYS 6 -13.765 12.631 1.408 53 H ARG 7 H ARG 7 -10.121 9.034 -4.172 54 HA ARG 7 HA ARG 7 -7.994 8.085 -2.435 55 1HB ARG 7 2HB ARG 7 -6.560 9.488 -4.040 56 2HB ARG 7 1HB ARG 7 -7.478 8.163 -4.759 57 1HG ARG 7 2HG ARG 7 -9.050 9.597 -5.723 58 2HG ARG 7 1HG ARG 7 -8.709 10.898 -4.580 59 1HD ARG 7 2HD ARG 7 -7.054 11.736 -5.873 60 2HD ARG 7 1HD ARG 7 -6.361 10.138 -6.154 61 HE ARG 7 HE ARG 7 -7.284 10.513 -8.307 62 1HH1 ARG 7 2HH1 ARG 7 -9.544 9.128 -8.398 63 2HH1 ARG 7 1HH1 ARG 7 -10.885 10.220 -8.304 64 1HH2 ARG 7 2HH2 ARG 7 -10.576 12.325 -7.540 65 2HH2 ARG 7 1HH2 ARG 7 -8.999 12.845 -7.049 66 H THR 8 H THR 8 -6.446 9.482 -1.340 67 HA THR 8 HA THR 8 -7.700 12.035 -0.426 68 HB THR 8 HB THR 8 -5.552 11.368 1.272 69 HG1 THR 8 HG1 THR 8 -7.194 9.145 0.634 70 1HG2 THR 8 1HG2 THR 8 -8.271 10.520 2.071 71 2HG2 THR 8 2HG2 THR 8 -8.135 12.184 1.502 72 3HG2 THR 8 3HG2 THR 8 -7.158 11.637 2.864 73 H ALA 9 H ALA 9 -4.380 10.713 -0.697 74 HA ALA 9 HA ALA 9 -3.464 13.422 -1.510 75 1HB ALA 9 1HB ALA 9 -1.391 11.397 -1.277 76 2HB ALA 9 2HB ALA 9 -2.383 11.473 0.177 77 3HB ALA 9 3HB ALA 9 -1.562 12.920 -0.408 78 H ILE 10 H ILE 10 -1.235 12.796 -3.002 79 HA ILE 10 HA ILE 10 -2.494 11.875 -5.510 80 HB ILE 10 HB ILE 10 0.115 13.263 -4.879 81 1HG1 ILE 10 2HG1 ILE 10 -1.396 14.601 -6.841 82 2HG1 ILE 10 1HG1 ILE 10 -2.572 14.057 -5.643 83 1HG2 ILE 10 1HG2 ILE 10 -0.853 11.968 -7.422 84 2HG2 ILE 10 2HG2 ILE 10 0.752 11.905 -6.690 85 3HG2 ILE 10 3HG2 ILE 10 0.201 13.382 -7.482 86 1HD1 ILE 10 1HD1 ILE 10 -1.850 16.161 -4.833 87 2HD1 ILE 10 2HD1 ILE 10 -0.165 15.829 -5.232 88 3HD1 ILE 10 3HD1 ILE 10 -0.933 14.993 -3.883 89 H ASN 11 H ASN 11 0.684 11.260 -3.944 90 HA ASN 11 HA ASN 11 1.986 9.303 -3.910 91 1HB ASN 11 2HB ASN 11 0.208 8.182 -2.779 92 2HB ASN 11 1HB ASN 11 -0.790 8.133 -4.228 93 1HD2 ASN 11 1HD2 ASN 11 2.693 7.318 -3.914 94 2HD2 ASN 11 2HD2 ASN 11 2.519 5.705 -4.412 95 H LYS 12 H LYS 12 3.181 9.658 -5.829 96 HA LYS 12 HA LYS 12 3.689 9.530 -8.139 97 1HB LYS 12 2HB LYS 12 2.509 6.775 -8.013 98 2HB LYS 12 1HB LYS 12 4.031 7.306 -8.728 99 1HG LYS 12 2HG LYS 12 4.141 7.891 -5.935 100 2HG LYS 12 1HG LYS 12 3.588 6.228 -6.116 101 1HD LYS 12 2HD LYS 12 5.533 6.121 -7.904 102 2HD LYS 12 1HD LYS 12 6.167 7.476 -6.966 103 1HE LYS 12 2HE LYS 12 5.188 5.208 -5.347 104 2HE LYS 12 1HE LYS 12 6.601 4.850 -6.338 105 1HZ LYS 12 1HZ LYS 12 7.891 6.139 -5.081 106 2HZ LYS 12 2HZ LYS 12 6.640 6.093 -3.931 107 3HZ LYS 12 3HZ LYS 12 6.753 7.394 -5.018 108 H THR 13 H THR 13 1.679 11.024 -8.445 109 HA THR 13 HA THR 13 -0.877 10.405 -9.111 110 HB THR 13 HB THR 13 -0.003 11.975 -11.311 111 HG1 THR 13 HG1 THR 13 1.985 12.007 -10.041 112 1HG2 THR 13 1HG2 THR 13 -1.732 13.149 -10.489 113 2HG2 THR 13 2HG2 THR 13 -0.788 13.568 -9.060 114 3HG2 THR 13 3HG2 THR 13 -1.755 12.094 -9.076 115 H LYS 14 H LYS 14 -2.033 9.646 -10.961 116 HA LYS 14 HA LYS 14 -1.200 7.325 -12.202 117 1HB LYS 14 2HB LYS 14 -3.321 9.221 -12.599 118 2HB LYS 14 1HB LYS 14 -2.690 8.730 -14.172 119 1HG LYS 14 2HG LYS 14 -3.594 6.674 -13.984 120 2HG LYS 14 1HG LYS 14 -2.912 6.459 -12.371 121 1HD LYS 14 2HD LYS 14 -5.124 8.384 -12.436 122 2HD LYS 14 1HD LYS 14 -5.602 6.760 -12.932 123 1HE LYS 14 2HE LYS 14 -5.772 6.357 -10.702 124 2HE LYS 14 1HE LYS 14 -4.016 6.222 -10.761 125 1HZ LYS 14 1HZ LYS 14 -3.743 8.381 -10.005 126 2HZ LYS 14 2HZ LYS 14 -5.048 7.818 -9.076 127 3HZ LYS 14 3HZ LYS 14 -5.326 8.841 -10.404 128 H LYS 15 H LYS 15 -0.674 10.653 -13.347 129 HA LYS 15 HA LYS 15 0.627 9.974 -15.794 130 1HB LYS 15 2HB LYS 15 0.065 12.338 -14.343 131 2HB LYS 15 1HB LYS 15 1.812 12.315 -14.580 132 1HG LYS 15 2HG LYS 15 1.535 12.026 -16.979 133 2HG LYS 15 1HG LYS 15 -0.214 11.878 -16.792 134 1HD LYS 15 2HD LYS 15 0.925 14.317 -15.588 135 2HD LYS 15 1HD LYS 15 1.092 14.229 -17.342 136 1HE LYS 15 2HE LYS 15 -1.143 14.447 -17.693 137 2HE LYS 15 1HE LYS 15 -1.554 13.406 -16.329 138 1HZ LYS 15 1HZ LYS 15 -0.976 15.258 -14.842 139 2HZ LYS 15 2HZ LYS 15 -2.267 15.635 -15.877 140 3HZ LYS 15 3HZ LYS 15 -0.716 16.252 -16.192 141 H ALA 16 H ALA 16 1.924 10.592 -12.528 142 HA ALA 16 HA ALA 16 4.581 9.642 -13.409 143 1HB ALA 16 1HB ALA 16 4.339 11.650 -11.907 144 2HB ALA 16 2HB ALA 16 5.377 10.384 -11.248 145 3HB ALA 16 3HB ALA 16 3.726 10.569 -10.655 146 H ASP 17 H ASP 17 2.047 7.950 -13.014 147 HA ASP 17 HA ASP 17 2.634 6.184 -10.773 148 1HB ASP 17 2HB ASP 17 0.475 6.612 -12.484 149 2HB ASP 17 1HB ASP 17 1.058 5.009 -12.929 150 H VAL 18 H VAL 18 3.565 6.380 -14.139 151 HA VAL 18 HA VAL 18 4.961 3.752 -13.859 152 HB VAL 18 HB VAL 18 4.824 4.942 -16.555 153 1HG1 VAL 18 1HG1 VAL 18 3.807 2.252 -15.659 154 2HG1 VAL 18 2HG1 VAL 18 5.539 2.574 -15.749 155 3HG1 VAL 18 3HG1 VAL 18 4.542 2.698 -17.199 156 1HG2 VAL 18 1HG2 VAL 18 2.284 3.943 -15.222 157 2HG2 VAL 18 2HG2 VAL 18 2.456 4.427 -16.909 158 3HG2 VAL 18 3HG2 VAL 18 2.608 5.628 -15.628 159 H LYS 19 H LYS 19 5.368 7.172 -14.330 160 HA LYS 19 HA LYS 19 8.179 6.820 -15.169 161 1HB LYS 19 2HB LYS 19 8.250 9.142 -15.550 162 2HB LYS 19 1HB LYS 19 6.595 8.714 -15.975 163 1HG LYS 19 2HG LYS 19 5.941 10.309 -14.522 164 2HG LYS 19 1HG LYS 19 6.473 9.226 -13.237 165 1HD LYS 19 2HD LYS 19 8.809 10.461 -14.236 166 2HD LYS 19 1HD LYS 19 7.612 11.745 -14.061 167 1HE LYS 19 2HE LYS 19 7.218 10.336 -11.751 168 2HE LYS 19 1HE LYS 19 8.954 10.125 -11.989 169 1HZ LYS 19 1HZ LYS 19 7.472 12.694 -11.892 170 2HZ LYS 19 2HZ LYS 19 9.117 12.553 -12.294 171 3HZ LYS 19 3HZ LYS 19 8.577 12.113 -10.744 172 H ALA 20 H ALA 20 6.304 7.484 -12.298 173 HA ALA 20 HA ALA 20 8.526 8.367 -10.635 174 1HB ALA 20 1HB ALA 20 5.931 7.014 -9.819 175 2HB ALA 20 2HB ALA 20 6.126 8.754 -10.032 176 3HB ALA 20 3HB ALA 20 7.015 7.915 -8.760 177 H ILE 21 H ILE 21 6.888 5.276 -11.252 178 HA ILE 21 HA ILE 21 8.284 3.604 -9.501 179 HB ILE 21 HB ILE 21 7.153 3.221 -12.266 180 1HG1 ILE 21 2HG1 ILE 21 5.446 2.087 -11.178 181 2HG1 ILE 21 1HG1 ILE 21 6.477 1.616 -9.832 182 1HG2 ILE 21 1HG2 ILE 21 9.322 1.740 -11.701 183 2HG2 ILE 21 2HG2 ILE 21 7.930 1.077 -12.534 184 3HG2 ILE 21 3HG2 ILE 21 8.128 0.812 -10.804 185 1HD1 ILE 21 1HD1 ILE 21 4.858 3.326 -9.121 186 2HD1 ILE 21 2HD1 ILE 21 5.438 4.414 -10.382 187 3HD1 ILE 21 3HD1 ILE 21 6.498 3.967 -9.045 188 H ALA 22 H ALA 22 9.498 5.329 -12.285 189 HA ALA 22 HA ALA 22 11.952 3.674 -12.349 190 1HB ALA 22 1HB ALA 22 10.591 4.931 -14.335 191 2HB ALA 22 2HB ALA 22 12.299 4.505 -14.440 192 3HB ALA 22 3HB ALA 22 11.824 6.140 -13.977 193 H ASP 23 H ASP 23 11.277 7.184 -11.998 194 HA ASP 23 HA ASP 23 13.960 7.521 -10.791 195 1HB ASP 23 2HB ASP 23 12.877 9.084 -12.549 196 2HB ASP 23 1HB ASP 23 11.931 9.707 -11.198 197 H ALA 24 H ALA 24 11.447 6.281 -9.407 198 HA ALA 24 HA ALA 24 11.080 8.205 -7.191 199 1HB ALA 24 1HB ALA 24 9.358 6.596 -6.404 200 2HB ALA 24 2HB ALA 24 9.742 5.572 -7.788 201 3HB ALA 24 3HB ALA 24 9.067 7.182 -8.042 202 H TRP 25 H TRP 25 12.045 4.782 -7.490 203 HA TRP 25 HA TRP 25 12.924 4.921 -4.675 204 1HB TRP 25 2HB TRP 25 13.346 2.372 -6.050 205 2HB TRP 25 1HB TRP 25 12.494 2.721 -4.565 206 HD1 TRP 25 HD1 TRP 25 10.293 4.734 -6.028 207 HE1 TRP 25 HE1 TRP 25 8.446 3.653 -7.429 208 HE3 TRP 25 HE3 TRP 25 12.328 0.104 -6.817 209 HZ2 TRP 25 HZ2 TRP 25 7.899 1.171 -8.704 210 HZ3 TRP 25 HZ3 TRP 25 11.089 -1.576 -8.127 211 HH2 TRP 25 HH2 TRP 25 8.896 -1.033 -9.080 212 H GLN 26 H GLN 26 14.906 2.678 -5.258 213 HA GLN 26 HA GLN 26 17.239 4.341 -5.465 214 1HB GLN 26 2HB GLN 26 17.258 2.197 -4.260 215 2HB GLN 26 1HB GLN 26 16.957 1.335 -5.769 216 1HG GLN 26 2HG GLN 26 19.206 1.204 -5.963 217 2HG GLN 26 1HG GLN 26 19.147 2.917 -6.383 218 1HE2 GLN 26 1HE2 GLN 26 20.161 4.361 -4.949 219 2HE2 GLN 26 2HE2 GLN 26 20.736 3.934 -3.409 220 H ILE 27 H ILE 27 16.801 5.467 -7.499 221 HA ILE 27 HA ILE 27 17.375 3.801 -9.907 222 HB ILE 27 HB ILE 27 15.500 4.720 -10.782 223 1HG1 ILE 27 2HG1 ILE 27 17.334 6.413 -11.558 224 2HG1 ILE 27 1HG1 ILE 27 15.642 6.856 -11.762 225 1HG2 ILE 27 1HG2 ILE 27 15.469 6.730 -8.531 226 2HG2 ILE 27 2HG2 ILE 27 14.800 5.112 -8.417 227 3HG2 ILE 27 3HG2 ILE 27 14.108 6.272 -9.536 228 1HD1 ILE 27 1HD1 ILE 27 15.697 8.412 -10.036 229 2HD1 ILE 27 2HD1 ILE 27 17.345 8.553 -10.647 230 3HD1 ILE 27 3HD1 ILE 27 17.017 7.597 -9.202 231 H ASN 28 H ASN 28 18.246 6.557 -7.977 232 HA ASN 28 HA ASN 28 20.817 6.742 -9.391 233 1HB ASN 28 2HB ASN 28 19.187 8.310 -10.576 234 2HB ASN 28 1HB ASN 28 19.134 9.236 -9.076 235 1HD2 ASN 28 1HD2 ASN 28 21.514 9.735 -8.193 236 2HD2 ASN 28 2HD2 ASN 28 22.622 10.248 -9.369 237 H GLY 29 H GLY 29 18.676 7.958 -6.835 238 1HA GLY 29 2HA GLY 29 19.427 7.883 -4.501 239 2HA GLY 29 1HA GLY 29 21.076 8.130 -5.080 240 H GLU 30 H GLU 30 20.165 10.188 -7.020 241 HA GLU 30 HA GLU 30 19.811 12.411 -5.062 242 1HB GLU 30 2HB GLU 30 21.930 12.503 -6.309 243 2HB GLU 30 1HB GLU 30 21.044 12.435 -7.833 244 1HG GLU 30 2HG GLU 30 21.230 14.716 -7.679 245 2HG GLU 30 1HG GLU 30 19.778 14.523 -6.700 246 H LYS 31 H LYS 31 18.618 10.929 -7.998 247 HA LYS 31 HA LYS 31 16.671 13.107 -8.443 248 1HB LYS 31 2HB LYS 31 17.498 10.635 -9.933 249 2HB LYS 31 1HB LYS 31 15.923 11.351 -10.272 250 1HG LYS 31 2HG LYS 31 17.217 12.542 -11.775 251 2HG LYS 31 1HG LYS 31 17.356 13.593 -10.366 252 1HD LYS 31 2HD LYS 31 19.429 12.197 -9.745 253 2HD LYS 31 1HD LYS 31 19.353 11.576 -11.395 254 1HE LYS 31 2HE LYS 31 19.087 14.277 -11.809 255 2HE LYS 31 1HE LYS 31 20.178 14.235 -10.424 256 1HZ LYS 31 1HZ LYS 31 21.169 14.099 -12.770 257 2HZ LYS 31 2HZ LYS 31 20.636 12.486 -12.754 258 3HZ LYS 31 3HZ LYS 31 21.748 13.026 -11.590 259 H GLU 32 H GLU 32 16.792 9.805 -7.184 260 HA GLU 32 HA GLU 32 13.909 9.488 -7.072 261 1HB GLU 32 2HB GLU 32 14.441 7.625 -5.477 262 2HB GLU 32 1HB GLU 32 15.311 7.502 -7.001 263 1HG GLU 32 2HG GLU 32 17.175 7.319 -5.724 264 2HG GLU 32 1HG GLU 32 17.004 9.055 -5.470 265 H LEU 33 H LEU 33 16.374 10.778 -4.906 266 HA LEU 33 HA LEU 33 14.810 10.964 -2.542 267 1HB LEU 33 2HB LEU 33 16.400 12.580 -1.783 268 2HB LEU 33 1HB LEU 33 17.306 11.475 -2.817 269 HG LEU 33 HG LEU 33 16.660 13.179 -4.718 270 1HD1 LEU 33 1HD1 LEU 33 15.676 15.097 -4.068 271 2HD1 LEU 33 2HD1 LEU 33 16.946 15.384 -2.879 272 3HD1 LEU 33 3HD1 LEU 33 15.529 14.429 -2.443 273 1HD2 LEU 33 1HD2 LEU 33 18.663 14.362 -2.863 274 2HD2 LEU 33 2HD2 LEU 33 18.823 13.934 -4.566 275 3HD2 LEU 33 3HD2 LEU 33 18.926 12.681 -3.330 276 H GLU 34 H GLU 34 14.925 12.985 -5.435 277 HA GLU 34 HA GLU 34 13.421 15.182 -4.423 278 1HB GLU 34 2HB GLU 34 14.786 14.934 -6.624 279 2HB GLU 34 1HB GLU 34 13.292 14.265 -7.284 280 1HG GLU 34 2HG GLU 34 12.068 16.265 -6.717 281 2HG GLU 34 1HG GLU 34 13.459 16.902 -5.840 282 H LEU 35 H LEU 35 12.308 12.473 -6.528 283 HA LEU 35 HA LEU 35 9.606 13.071 -6.549 284 1HB LEU 35 2HB LEU 35 10.728 11.141 -7.746 285 2HB LEU 35 1HB LEU 35 10.704 10.263 -6.220 286 HG LEU 35 HG LEU 35 8.733 9.977 -7.982 287 1HD1 LEU 35 1HD1 LEU 35 7.257 9.357 -6.150 288 2HD1 LEU 35 2HD1 LEU 35 8.166 10.372 -5.030 289 3HD1 LEU 35 3HD1 LEU 35 8.912 8.928 -5.713 290 1HD2 LEU 35 1HD2 LEU 35 6.847 11.479 -7.448 291 2HD2 LEU 35 2HD2 LEU 35 8.213 12.393 -8.086 292 3HD2 LEU 35 3HD2 LEU 35 7.886 12.391 -6.355 293 H LEU 36 H LEU 36 11.200 10.960 -4.125 294 HA LEU 36 HA LEU 36 8.874 10.800 -2.483 295 1HB LEU 36 2HB LEU 36 11.116 9.394 -2.479 296 2HB LEU 36 1HB LEU 36 11.628 10.614 -1.309 297 HG LEU 36 HG LEU 36 10.530 8.612 -0.255 298 1HD1 LEU 36 1HD1 LEU 36 8.668 10.884 0.229 299 2HD1 LEU 36 2HD1 LEU 36 10.378 11.225 0.439 300 3HD1 LEU 36 3HD1 LEU 36 9.609 9.949 1.383 301 1HD2 LEU 36 1HD2 LEU 36 8.317 8.059 -0.736 302 2HD2 LEU 36 2HD2 LEU 36 8.859 8.620 -2.319 303 3HD2 LEU 36 3HD2 LEU 36 7.926 9.693 -1.275 304 H GLN 37 H GLN 37 11.354 13.197 -2.849 305 HA GLN 37 HA GLN 37 11.154 14.510 -0.351 306 1HB GLN 37 2HB GLN 37 12.694 15.027 -2.400 307 2HB GLN 37 1HB GLN 37 11.359 16.041 -2.942 308 1HG GLN 37 2HG GLN 37 11.607 17.542 -1.199 309 2HG GLN 37 1HG GLN 37 12.294 16.330 -0.116 310 1HE2 GLN 37 1HE2 GLN 37 13.444 16.768 -3.442 311 2HE2 GLN 37 2HE2 GLN 37 14.970 17.382 -3.020 312 H GLN 38 H GLN 38 8.853 14.093 -2.834 313 HA GLN 38 HA GLN 38 6.979 15.836 -1.356 314 1HB GLN 38 2HB GLN 38 8.123 16.650 -3.761 315 2HB GLN 38 1HB GLN 38 6.566 15.977 -4.247 316 1HG GLN 38 2HG GLN 38 5.497 17.370 -2.430 317 2HG GLN 38 1HG GLN 38 7.060 18.155 -2.200 318 1HE2 GLN 38 1HE2 GLN 38 7.921 19.437 -4.032 319 2HE2 GLN 38 2HE2 GLN 38 6.870 20.028 -5.228 320 H ILE 39 H ILE 39 7.500 12.810 -1.930 321 HA ILE 39 HA ILE 39 4.751 12.310 -2.921 322 HB ILE 39 HB ILE 39 7.234 10.744 -3.468 323 1HG1 ILE 39 2HG1 ILE 39 6.646 12.514 -5.051 324 2HG1 ILE 39 1HG1 ILE 39 6.311 10.948 -5.783 325 1HG2 ILE 39 1HG2 ILE 39 4.362 9.877 -3.356 326 2HG2 ILE 39 2HG2 ILE 39 5.815 8.969 -2.935 327 3HG2 ILE 39 3HG2 ILE 39 5.391 9.224 -4.629 328 1HD1 ILE 39 1HD1 ILE 39 3.957 11.629 -4.424 329 2HD1 ILE 39 2HD1 ILE 39 4.218 11.646 -6.167 330 3HD1 ILE 39 3HD1 ILE 39 4.482 13.111 -5.224 331 H ALA 40 H ALA 40 7.169 11.259 -0.535 332 HA ALA 40 HA ALA 40 5.352 9.203 0.530 333 1HB ALA 40 1HB ALA 40 7.819 8.978 0.822 334 2HB ALA 40 2HB ALA 40 6.961 8.950 2.356 335 3HB ALA 40 3HB ALA 40 7.804 10.410 1.847 336 H GLN 41 H GLN 41 5.477 12.507 0.646 337 HA GLN 41 HA GLN 41 4.210 12.629 3.323 338 1HB GLN 41 2HB GLN 41 5.022 14.982 1.641 339 2HB GLN 41 1HB GLN 41 4.835 14.908 3.396 340 1HG GLN 41 2HG GLN 41 6.854 13.784 3.700 341 2HG GLN 41 1HG GLN 41 6.846 13.104 2.085 342 1HE2 GLN 41 1HE2 GLN 41 8.953 13.886 1.554 343 2HE2 GLN 41 2HE2 GLN 41 9.264 15.531 1.310 344 H LYS 42 H LYS 42 3.554 12.617 0.026 345 HA LYS 42 HA LYS 42 0.757 13.459 0.630 346 1HB LYS 42 2HB LYS 42 0.723 14.429 -1.755 347 2HB LYS 42 1HB LYS 42 1.547 15.367 -0.512 348 1HG LYS 42 2HG LYS 42 3.273 15.390 -1.988 349 2HG LYS 42 1HG LYS 42 3.576 13.757 -1.402 350 1HD LYS 42 2HD LYS 42 3.469 13.419 -3.705 351 2HD LYS 42 1HD LYS 42 1.814 13.068 -3.220 352 1HE LYS 42 2HE LYS 42 1.036 15.186 -3.947 353 2HE LYS 42 1HE LYS 42 2.666 15.846 -4.038 354 1HZ LYS 42 1HZ LYS 42 2.831 15.153 -6.117 355 2HZ LYS 42 2HZ LYS 42 1.217 14.623 -6.063 356 3HZ LYS 42 3HZ LYS 42 2.480 13.556 -5.668 357 HA PRO 43 HA PRO 43 1.270 9.578 -2.112 358 1HB PRO 43 2HB PRO 43 1.251 7.594 -0.212 359 2HB PRO 43 1HB PRO 43 2.734 8.287 -0.891 360 1HG PRO 43 2HG PRO 43 1.471 8.794 1.778 361 2HG PRO 43 1HG PRO 43 3.186 8.803 1.324 362 1HD PRO 43 2HD PRO 43 1.660 11.113 1.680 363 2HD PRO 43 1HD PRO 43 3.144 10.996 0.720 364 H GLY 44 H GLY 44 -0.275 8.782 1.017 365 1HA GLY 44 2HA GLY 44 -2.490 8.107 1.444 366 2HA GLY 44 1HA GLY 44 -2.934 9.474 0.416 367 H ALA 45 H ALA 45 -1.008 6.735 -0.648 368 HA ALA 45 HA ALA 45 -3.097 5.182 -1.810 369 1HB ALA 45 1HB ALA 45 -1.777 6.544 -4.072 370 2HB ALA 45 2HB ALA 45 -2.877 7.558 -3.140 371 3HB ALA 45 3HB ALA 45 -3.462 6.065 -3.873 372 H LEU 46 H LEU 46 0.279 6.129 -1.706 373 HA LEU 46 HA LEU 46 1.587 4.423 -3.410 374 1HB LEU 46 2HB LEU 46 3.030 5.660 -2.080 375 2HB LEU 46 1HB LEU 46 2.125 5.337 -0.611 376 HG LEU 46 HG LEU 46 4.449 4.249 -0.859 377 1HD1 LEU 46 1HD1 LEU 46 1.926 3.165 0.154 378 2HD1 LEU 46 2HD1 LEU 46 3.499 3.284 0.936 379 3HD1 LEU 46 3HD1 LEU 46 3.149 1.930 -0.134 380 1HD2 LEU 46 1HD2 LEU 46 3.589 1.829 -2.044 381 2HD2 LEU 46 2HD2 LEU 46 4.798 2.949 -2.661 382 3HD2 LEU 46 3HD2 LEU 46 3.115 3.111 -3.157 383 H ARG 47 H ARG 47 -0.229 3.520 -0.524 384 HA ARG 47 HA ARG 47 0.581 0.872 -0.124 385 1HB ARG 47 2HB ARG 47 -1.562 2.478 0.699 386 2HB ARG 47 1HB ARG 47 -2.313 1.064 -0.042 387 1HG ARG 47 2HG ARG 47 -0.086 0.196 1.549 388 2HG ARG 47 1HG ARG 47 -1.110 1.245 2.528 389 1HD ARG 47 2HD ARG 47 -2.751 -0.302 2.636 390 2HD ARG 47 1HD ARG 47 -2.684 -0.592 0.898 391 HE ARG 47 HE ARG 47 -1.300 -2.457 1.322 392 1HH1 ARG 47 2HH1 ARG 47 1.008 -1.741 2.643 393 2HH1 ARG 47 1HH1 ARG 47 0.795 -2.183 4.305 394 1HH2 ARG 47 2HH2 ARG 47 -1.275 -2.574 5.114 395 2HH2 ARG 47 1HH2 ARG 47 -2.654 -2.433 4.074 396 H ILE 48 H ILE 48 -2.028 1.919 -2.361 397 HA ILE 48 HA ILE 48 -2.728 -0.558 -3.426 398 HB ILE 48 HB ILE 48 -2.357 1.958 -5.080 399 1HG1 ILE 48 2HG1 ILE 48 -4.647 1.074 -3.292 400 2HG1 ILE 48 1HG1 ILE 48 -3.636 2.503 -3.076 401 1HG2 ILE 48 1HG2 ILE 48 -2.900 0.215 -6.558 402 2HG2 ILE 48 2HG2 ILE 48 -4.479 0.891 -6.158 403 3HG2 ILE 48 3HG2 ILE 48 -3.932 -0.592 -5.376 404 1HD1 ILE 48 1HD1 ILE 48 -4.543 2.804 -5.666 405 2HD1 ILE 48 2HD1 ILE 48 -5.231 3.600 -4.251 406 3HD1 ILE 48 3HD1 ILE 48 -5.939 2.100 -4.850 407 H LEU 49 H LEU 49 -0.413 1.579 -5.135 408 HA LEU 49 HA LEU 49 0.678 -0.652 -6.637 409 1HB LEU 49 2HB LEU 49 2.352 1.799 -6.295 410 2HB LEU 49 1HB LEU 49 1.928 0.935 -7.771 411 HG LEU 49 HG LEU 49 -0.521 1.880 -6.976 412 1HD1 LEU 49 1HD1 LEU 49 0.952 3.176 -5.212 413 2HD1 LEU 49 2HD1 LEU 49 -0.368 4.005 -6.036 414 3HD1 LEU 49 3HD1 LEU 49 1.295 4.236 -6.579 415 1HD2 LEU 49 1HD2 LEU 49 1.500 2.490 -8.987 416 2HD2 LEU 49 2HD2 LEU 49 0.536 3.910 -8.586 417 3HD2 LEU 49 3HD2 LEU 49 -0.256 2.439 -9.149 418 H ASN 50 H ASN 50 1.036 0.268 -3.435 419 HA ASN 50 HA ASN 50 3.837 -0.215 -3.003 420 1HB ASN 50 2HB ASN 50 2.287 0.806 -1.280 421 2HB ASN 50 1HB ASN 50 1.577 -0.784 -1.055 422 1HD2 ASN 50 1HD2 ASN 50 5.043 -0.034 -1.597 423 2HD2 ASN 50 2HD2 ASN 50 5.566 -0.653 -0.105 424 H HIS 51 H HIS 51 1.039 -2.256 -3.401 425 HA HIS 51 HA HIS 51 1.781 -4.681 -2.312 426 1HB HIS 51 2HB HIS 51 -0.274 -4.317 -3.666 427 2HB HIS 51 1HB HIS 51 0.711 -4.247 -5.126 428 HD1 HIS 51 HD1 HIS 51 -0.008 -6.668 -2.266 429 HD2 HIS 51 HD2 HIS 51 1.122 -6.718 -6.277 430 HE1 HIS 51 HE1 HIS 51 0.060 -9.104 -2.959 431 H SER 52 H SER 52 3.239 -2.974 -5.007 432 HA SER 52 HA SER 52 5.406 -5.003 -5.020 433 1HB SER 52 2HB SER 52 4.806 -3.608 -7.551 434 2HB SER 52 1HB SER 52 5.271 -5.284 -7.271 435 HG SER 52 HG SER 52 3.083 -5.480 -6.338 436 H LEU 53 H LEU 53 4.546 -1.813 -4.485 437 HA LEU 53 HA LEU 53 7.027 -0.670 -5.584 438 1HB LEU 53 2HB LEU 53 4.480 0.419 -4.845 439 2HB LEU 53 1HB LEU 53 5.710 1.194 -3.855 440 HG LEU 53 HG LEU 53 6.875 2.028 -5.730 441 1HD1 LEU 53 1HD1 LEU 53 7.126 0.140 -7.116 442 2HD1 LEU 53 2HD1 LEU 53 6.128 1.224 -8.077 443 3HD1 LEU 53 3HD1 LEU 53 5.392 -0.124 -7.213 444 1HD2 LEU 53 1HD2 LEU 53 5.305 3.380 -6.785 445 2HD2 LEU 53 2HD2 LEU 53 4.381 2.842 -5.383 446 3HD2 LEU 53 3HD2 LEU 53 4.136 2.070 -6.948 447 H ARG 54 H ARG 54 5.937 -2.147 -2.748 448 HA ARG 54 HA ARG 54 7.453 -0.880 -0.731 449 1HB ARG 54 2HB ARG 54 5.982 -2.660 -0.077 450 2HB ARG 54 1HB ARG 54 6.726 -3.785 -1.210 451 1HG ARG 54 2HG ARG 54 8.779 -2.785 0.513 452 2HG ARG 54 1HG ARG 54 7.431 -3.314 1.517 453 1HD ARG 54 2HD ARG 54 7.651 -5.294 -0.444 454 2HD ARG 54 1HD ARG 54 9.318 -4.915 -0.014 455 HE ARG 54 HE ARG 54 8.322 -5.201 2.442 456 1HH1 ARG 54 2HH1 ARG 54 8.515 -7.215 -0.274 457 2HH1 ARG 54 1HH1 ARG 54 7.729 -8.567 0.470 458 1HH2 ARG 54 1HH2 ARG 54 6.900 -6.834 3.358 459 2HH2 ARG 54 2HH2 ARG 54 6.814 -8.351 2.525 460 H LEU 55 H LEU 55 8.382 -2.786 -3.486 461 HA LEU 55 HA LEU 55 11.000 -3.620 -2.721 462 1HB LEU 55 2HB LEU 55 9.428 -3.461 -5.154 463 2HB LEU 55 1HB LEU 55 11.091 -2.957 -5.461 464 HG LEU 55 HG LEU 55 10.650 -5.455 -5.691 465 1HD1 LEU 55 1HD1 LEU 55 12.772 -4.041 -4.269 466 2HD1 LEU 55 2HD1 LEU 55 12.896 -5.325 -5.472 467 3HD1 LEU 55 3HD1 LEU 55 12.652 -5.728 -3.772 468 1HD2 LEU 55 1HD2 LEU 55 10.928 -5.885 -2.814 469 2HD2 LEU 55 2HD2 LEU 55 9.802 -6.630 -3.949 470 3HD2 LEU 55 3HD2 LEU 55 9.414 -5.074 -3.215 471 H ALA 56 H ALA 56 9.786 -0.620 -4.119 472 HA ALA 56 HA ALA 56 11.849 0.894 -4.916 473 1HB ALA 56 1HB ALA 56 10.770 2.830 -4.028 474 2HB ALA 56 2HB ALA 56 10.117 1.928 -2.662 475 3HB ALA 56 3HB ALA 56 9.479 1.658 -4.283 476 H ALA 57 H ALA 57 11.368 -0.124 -1.558 477 HA ALA 57 HA ALA 57 13.977 1.110 -0.816 478 1HB ALA 57 1HB ALA 57 13.025 0.021 1.495 479 2HB ALA 57 2HB ALA 57 11.513 0.355 0.650 480 3HB ALA 57 3HB ALA 57 12.654 1.662 0.968 481 H MET 58 H MET 58 12.267 -1.974 -1.064 482 HA MET 58 HA MET 58 14.275 -3.622 0.150 483 1HB MET 58 2HB MET 58 11.766 -4.067 -0.811 484 2HB MET 58 1HB MET 58 12.737 -4.776 -2.102 485 1HG MET 58 2HG MET 58 13.306 -6.543 -0.818 486 2HG MET 58 1HG MET 58 13.758 -5.499 0.530 487 1HE MET 58 1HE MET 58 11.857 -7.943 -0.901 488 2HE MET 58 2HE MET 58 10.290 -7.180 -1.162 489 3HE MET 58 3HE MET 58 10.499 -8.314 0.170 490 H THR 59 H THR 59 16.293 -2.828 -0.703 491 HA THR 59 HA THR 59 16.763 -3.146 -3.603 492 HB THR 59 HB THR 59 17.720 -1.228 -2.203 493 HG1 THR 59 HG1 THR 59 19.221 -1.135 -3.668 494 1HG2 THR 59 1HG2 THR 59 19.925 -3.068 -1.413 495 2HG2 THR 59 2HG2 THR 59 18.450 -3.123 -0.449 496 3HG2 THR 59 3HG2 THR 59 19.339 -1.609 -0.613 497 H ALA 60 H ALA 60 16.308 -5.365 -1.475 498 HA ALA 60 HA ALA 60 18.632 -7.017 -2.356 499 1HB ALA 60 1HB ALA 60 19.163 -6.632 -0.094 500 2HB ALA 60 2HB ALA 60 18.320 -8.180 -0.055 501 3HB ALA 60 3HB ALA 60 17.474 -6.703 0.409 502 H HIS 61 H HIS 61 15.660 -6.681 -3.127 503 HA HIS 61 HA HIS 61 13.946 -8.686 -2.430 504 1HB HIS 61 2HB HIS 61 13.768 -7.075 -4.430 505 2HB HIS 61 1HB HIS 61 14.627 -8.310 -5.350 506 HD1 HIS 61 HD1 HIS 61 12.874 -10.314 -3.124 507 HD2 HIS 61 HD2 HIS 61 11.609 -8.018 -6.367 508 HE1 HIS 61 HE1 HIS 61 10.644 -11.266 -3.849 509 H GLY 62 H GLY 62 16.761 -9.185 -4.576 510 1HA GLY 62 2HA GLY 62 17.953 -11.148 -5.061 511 2HA GLY 62 1HA GLY 62 17.345 -11.773 -3.527 512 H LYS 63 H LYS 63 15.671 -10.812 -6.525 513 HA LYS 63 HA LYS 63 15.030 -13.491 -7.330 514 1HB LYS 63 2HB LYS 63 13.676 -13.140 -5.149 515 2HB LYS 63 1HB LYS 63 12.676 -12.052 -6.114 516 1HG LYS 63 2HG LYS 63 13.222 -14.599 -7.462 517 2HG LYS 63 1HG LYS 63 12.343 -14.795 -5.946 518 1HD LYS 63 2HD LYS 63 10.527 -13.520 -6.676 519 2HD LYS 63 1HD LYS 63 11.487 -12.673 -7.892 520 1HE LYS 63 2HE LYS 63 10.893 -15.637 -8.044 521 2HE LYS 63 1HE LYS 63 9.877 -14.415 -8.809 522 1HZ LYS 63 1HZ LYS 63 12.145 -13.614 -9.762 523 2HZ LYS 63 2HZ LYS 63 11.324 -14.912 -10.488 524 3HZ LYS 63 3HZ LYS 63 12.630 -15.209 -9.443 525 H GLY 64 H GLY 64 14.109 -10.080 -7.275 526 1HA GLY 64 2HA GLY 64 13.924 -10.105 -10.210 527 2HA GLY 64 1HA GLY 64 12.414 -9.727 -9.376 528 H GLU 65 H GLU 65 15.847 -8.738 -9.456 529 HA GLU 65 HA GLU 65 14.971 -5.918 -9.355 530 1HB GLU 65 2HB GLU 65 16.634 -5.461 -7.503 531 2HB GLU 65 1HB GLU 65 15.214 -6.382 -7.002 532 1HG GLU 65 2HG GLU 65 16.552 -8.036 -6.284 533 2HG GLU 65 1HG GLU 65 17.152 -8.251 -7.930 534 H ARG 66 H ARG 66 16.004 -5.191 -11.171 535 HA ARG 66 HA ARG 66 18.436 -6.337 -12.185 536 1HB ARG 66 2HB ARG 66 16.896 -3.811 -12.785 537 2HB ARG 66 1HB ARG 66 18.421 -4.173 -13.590 538 1HG ARG 66 2HG ARG 66 16.653 -6.483 -13.572 539 2HG ARG 66 1HG ARG 66 15.898 -5.093 -14.353 540 1HD ARG 66 2HD ARG 66 17.641 -4.893 -15.943 541 2HD ARG 66 1HD ARG 66 18.725 -5.921 -15.007 542 HE ARG 66 HE ARG 66 17.504 -7.853 -15.781 543 1HH1 ARG 66 2HH1 ARG 66 15.006 -5.826 -15.958 544 2HH1 ARG 66 1HH1 ARG 66 14.600 -6.086 -17.621 545 1HH2 ARG 66 1HH2 ARG 66 17.538 -7.772 -18.354 546 2HH2 ARG 66 2HH2 ARG 66 16.033 -7.186 -18.976 547 H VAL 67 H VAL 67 18.770 -2.922 -12.125 548 HA VAL 67 HA VAL 67 20.074 -2.492 -9.647 549 HB VAL 67 HB VAL 67 21.654 -4.221 -10.410 550 1HG1 VAL 67 1HG1 VAL 67 21.191 -3.111 -12.923 551 2HG1 VAL 67 2HG1 VAL 67 22.406 -4.331 -12.540 552 3HG1 VAL 67 3HG1 VAL 67 22.844 -2.623 -12.549 553 1HG2 VAL 67 1HG2 VAL 67 23.485 -3.061 -9.661 554 2HG2 VAL 67 2HG2 VAL 67 22.286 -1.807 -9.342 555 3HG2 VAL 67 3HG2 VAL 67 23.252 -1.750 -10.817 556 H ASN 68 H ASN 68 18.463 -0.845 -11.018 557 HA ASN 68 HA ASN 68 19.752 1.606 -11.180 558 1HB ASN 68 2HB ASN 68 20.404 -0.060 -13.451 559 2HB ASN 68 1HB ASN 68 19.530 1.378 -13.982 560 1HD2 ASN 68 1HD2 ASN 68 21.652 2.115 -14.926 561 2HD2 ASN 68 2HD2 ASN 68 22.807 2.828 -13.906 562 H GLU 69 H GLU 69 18.493 2.892 -13.306 563 HA GLU 69 HA GLU 69 15.922 3.415 -12.426 564 1HB GLU 69 2HB GLU 69 17.057 3.433 -15.228 565 2HB GLU 69 1HB GLU 69 15.415 3.979 -14.885 566 1HG GLU 69 2HG GLU 69 16.649 5.394 -13.002 567 2HG GLU 69 1HG GLU 69 18.025 5.204 -14.090 568 H ASP 70 H ASP 70 16.921 0.789 -14.609 569 HA ASP 70 HA ASP 70 14.256 -0.118 -15.184 570 1HB ASP 70 2HB ASP 70 16.714 -1.862 -15.055 571 2HB ASP 70 1HB ASP 70 15.263 -2.107 -16.027 572 H TYR 71 H TYR 71 16.688 -1.282 -12.825 573 HA TYR 71 HA TYR 71 15.630 -3.341 -11.485 574 1HB TYR 71 2HB TYR 71 17.427 -2.303 -10.381 575 2HB TYR 71 1HB TYR 71 16.631 -0.735 -10.360 576 HD1 TYR 71 HD1 TYR 71 16.195 -0.047 -8.220 577 HD2 TYR 71 HD2 TYR 71 15.594 -4.177 -9.226 578 HE1 TYR 71 HE1 TYR 71 15.302 -0.460 -5.943 579 HE2 TYR 71 HE2 TYR 71 14.701 -4.594 -6.944 580 HH TYR 71 HH TYR 71 13.545 -2.479 -5.003 581 H LEU 72 H LEU 72 14.411 -0.060 -10.908 582 HA LEU 72 HA LEU 72 12.379 -0.716 -9.156 583 1HB LEU 72 2HB LEU 72 12.061 1.377 -11.285 584 2HB LEU 72 1HB LEU 72 11.390 1.373 -9.653 585 HG LEU 72 HG LEU 72 14.265 1.743 -10.477 586 1HD1 LEU 72 1HD1 LEU 72 14.018 3.843 -9.463 587 2HD1 LEU 72 2HD1 LEU 72 12.607 3.333 -8.536 588 3HD1 LEU 72 3HD1 LEU 72 12.473 3.604 -10.271 589 1HD2 LEU 72 1HD2 LEU 72 13.897 0.083 -8.519 590 2HD2 LEU 72 2HD2 LEU 72 13.287 1.478 -7.638 591 3HD2 LEU 72 3HD2 LEU 72 14.944 1.466 -8.219 592 H ARG 73 H ARG 73 12.027 -0.333 -12.660 593 HA ARG 73 HA ARG 73 9.313 -1.399 -12.575 594 1HB ARG 73 2HB ARG 73 10.146 0.122 -14.392 595 2HB ARG 73 1HB ARG 73 11.185 -1.182 -14.965 596 1HG ARG 73 2HG ARG 73 8.404 -2.025 -14.585 597 2HG ARG 73 1HG ARG 73 8.579 -0.742 -15.785 598 1HD ARG 73 2HD ARG 73 10.135 -3.346 -15.749 599 2HD ARG 73 1HD ARG 73 8.805 -2.959 -16.842 600 HE ARG 73 HE ARG 73 11.054 -1.066 -16.903 601 1HH1 ARG 73 2HH1 ARG 73 9.809 -4.066 -18.044 602 2HH1 ARG 73 1HH1 ARG 73 10.492 -3.899 -19.627 603 1HH2 ARG 73 1HH2 ARG 73 11.826 -0.761 -19.014 604 2HH2 ARG 73 2HH2 ARG 73 11.633 -2.031 -20.176 605 H GLN 74 H GLN 74 12.378 -2.828 -12.415 606 HA GLN 74 HA GLN 74 11.369 -5.417 -13.437 607 1HB GLN 74 2HB GLN 74 13.765 -4.422 -13.946 608 2HB GLN 74 1HB GLN 74 14.142 -4.973 -12.317 609 1HG GLN 74 2HG GLN 74 14.735 -6.759 -13.822 610 2HG GLN 74 1HG GLN 74 13.273 -7.252 -12.966 611 1HE2 GLN 74 1HE2 GLN 74 12.484 -8.620 -14.695 612 2HE2 GLN 74 2HE2 GLN 74 11.944 -7.982 -16.172 613 H ALA 75 H ALA 75 11.186 -3.662 -10.756 614 HA ALA 75 HA ALA 75 11.622 -5.878 -8.822 615 1HB ALA 75 1HB ALA 75 10.918 -3.420 -7.541 616 2HB ALA 75 2HB ALA 75 12.102 -3.033 -8.789 617 3HB ALA 75 3HB ALA 75 12.493 -4.215 -7.541 618 H PHE 76 H PHE 76 9.383 -3.217 -9.513 619 HA PHE 76 HA PHE 76 7.174 -4.713 -8.232 620 1HB PHE 76 2HB PHE 76 6.285 -2.653 -7.767 621 2HB PHE 76 1HB PHE 76 7.923 -2.105 -8.047 622 HD1 PHE 76 HD1 PHE 76 4.806 -1.072 -8.614 623 HD2 PHE 76 HD2 PHE 76 8.246 -2.192 -10.911 624 HE1 PHE 76 HE1 PHE 76 3.993 0.319 -10.471 625 HE2 PHE 76 HE2 PHE 76 7.440 -0.800 -12.779 626 HZ PHE 76 HZ PHE 76 5.312 0.449 -12.584 627 H ARG 77 H ARG 77 8.351 -5.411 -10.894 628 HA ARG 77 HA ARG 77 5.799 -5.444 -12.389 629 1HB ARG 77 2HB ARG 77 7.827 -3.562 -12.931 630 2HB ARG 77 1HB ARG 77 7.962 -4.767 -14.196 631 1HG ARG 77 2HG ARG 77 5.545 -3.106 -13.467 632 2HG ARG 77 1HG ARG 77 6.382 -3.185 -15.017 633 1HD ARG 77 2HD ARG 77 5.634 -5.831 -14.457 634 2HD ARG 77 1HD ARG 77 4.234 -4.854 -14.014 635 HE ARG 77 HE ARG 77 4.254 -3.949 -16.328 636 1HH1 ARG 77 2HH1 ARG 77 7.017 -4.641 -17.146 637 2HH1 ARG 77 1HH1 ARG 77 6.785 -6.060 -18.111 638 1HH2 ARG 77 1HH2 ARG 77 3.586 -6.670 -16.917 639 2HH2 ARG 77 2HH2 ARG 77 4.842 -7.208 -17.981 640 H GLU 78 H GLU 78 9.212 -6.395 -12.227 641 HA GLU 78 HA GLU 78 9.173 -8.428 -14.186 642 1HB GLU 78 2HB GLU 78 11.245 -9.024 -13.354 643 2HB GLU 78 1HB GLU 78 11.091 -7.437 -12.611 644 1HG GLU 78 2HG GLU 78 11.571 -8.601 -10.699 645 2HG GLU 78 1HG GLU 78 9.842 -8.948 -10.737 646 H LEU 79 H LEU 79 7.556 -8.272 -11.167 647 HA LEU 79 HA LEU 79 7.188 -11.219 -11.084 648 1HB LEU 79 2HB LEU 79 6.338 -9.085 -9.113 649 2HB LEU 79 1HB LEU 79 6.223 -10.827 -8.863 650 HG LEU 79 HG LEU 79 8.854 -10.571 -9.557 651 1HD1 LEU 79 1HD1 LEU 79 9.767 -8.651 -8.347 652 2HD1 LEU 79 2HD1 LEU 79 8.142 -8.139 -7.890 653 3HD1 LEU 79 3HD1 LEU 79 8.639 -8.093 -9.582 654 1HD2 LEU 79 1HD2 LEU 79 9.316 -10.902 -7.189 655 2HD2 LEU 79 2HD2 LEU 79 7.845 -11.781 -7.608 656 3HD2 LEU 79 3HD2 LEU 79 7.739 -10.241 -6.755 657 H ASP 80 H ASP 80 4.981 -8.453 -10.429 658 HA ASP 80 HA ASP 80 3.194 -8.792 -12.542 659 1HB ASP 80 2HB ASP 80 1.427 -10.221 -11.269 660 2HB ASP 80 1HB ASP 80 2.746 -11.042 -12.110 661 H LEU 81 H LEU 81 3.124 -8.605 -8.989 662 HA LEU 81 HA LEU 81 2.340 -6.856 -7.651 663 1HB LEU 81 2HB LEU 81 0.926 -5.665 -10.025 664 2HB LEU 81 1HB LEU 81 1.496 -4.880 -8.564 665 HG LEU 81 HG LEU 81 3.013 -5.609 -11.023 666 1HD1 LEU 81 1HD1 LEU 81 3.879 -3.443 -9.223 667 2HD1 LEU 81 2HD1 LEU 81 2.229 -3.280 -9.822 668 3HD1 LEU 81 3HD1 LEU 81 3.570 -3.413 -10.959 669 1HD2 LEU 81 1HD2 LEU 81 3.945 -6.277 -8.326 670 2HD2 LEU 81 2HD2 LEU 81 4.988 -5.111 -9.114 671 3HD2 LEU 81 3HD2 LEU 81 4.668 -6.658 -9.883 672 H ASP 82 H ASP 82 1.192 -9.113 -7.393 673 HA ASP 82 HA ASP 82 -1.505 -8.586 -6.765 674 1HB ASP 82 2HB ASP 82 -2.746 -9.740 -8.451 675 2HB ASP 82 1HB ASP 82 -1.658 -8.640 -9.298 676 H VAL 83 H VAL 83 1.045 -10.887 -7.302 677 HA VAL 83 HA VAL 83 -0.056 -12.507 -5.101 678 HB VAL 83 HB VAL 83 0.613 -13.753 -7.779 679 1HG1 VAL 83 1HG1 VAL 83 0.906 -15.564 -6.438 680 2HG1 VAL 83 2HG1 VAL 83 -0.851 -15.552 -6.295 681 3HG1 VAL 83 3HG1 VAL 83 0.140 -14.777 -5.059 682 1HG2 VAL 83 1HG2 VAL 83 -2.047 -13.215 -6.421 683 2HG2 VAL 83 2HG2 VAL 83 -1.845 -14.231 -7.848 684 3HG2 VAL 83 3HG2 VAL 83 -1.478 -12.508 -7.933 685 H ASP 84 H ASP 84 2.562 -12.406 -7.538 686 HA ASP 84 HA ASP 84 4.432 -13.895 -5.976 687 1HB ASP 84 2HB ASP 84 4.731 -11.921 -8.226 688 2HB ASP 84 1HB ASP 84 6.146 -12.590 -7.420 689 H ILE 85 H ILE 85 3.643 -10.457 -6.019 690 HA ILE 85 HA ILE 85 5.833 -9.925 -4.091 691 HB ILE 85 HB ILE 85 4.425 -7.559 -4.305 692 1HG1 ILE 85 2HG1 ILE 85 3.055 -8.710 -6.128 693 2HG1 ILE 85 1HG1 ILE 85 3.839 -7.206 -6.602 694 1HG2 ILE 85 1HG2 ILE 85 6.938 -8.688 -5.144 695 2HG2 ILE 85 2HG2 ILE 85 6.564 -7.021 -4.706 696 3HG2 ILE 85 3HG2 ILE 85 6.350 -7.565 -6.370 697 1HD1 ILE 85 1HD1 ILE 85 4.901 -8.293 -8.252 698 2HD1 ILE 85 2HD1 ILE 85 4.175 -9.815 -7.739 699 3HD1 ILE 85 3HD1 ILE 85 5.714 -9.299 -7.053 700 H SER 86 H SER 86 2.896 -11.228 -3.822 701 HA SER 86 HA SER 86 1.922 -9.641 -1.536 702 1HB SER 86 2HB SER 86 0.778 -12.323 -2.144 703 2HB SER 86 1HB SER 86 -0.043 -10.817 -1.746 704 HG SER 86 HG SER 86 -0.405 -10.904 -3.846 705 H THR 87 H THR 87 0.991 -12.232 -0.228 706 HA THR 87 HA THR 87 3.548 -12.780 1.206 707 HB THR 87 HB THR 87 1.572 -12.020 2.533 708 HG1 THR 87 HG1 THR 87 1.973 -14.714 3.176 709 1HG2 THR 87 1HG2 THR 87 0.082 -14.448 2.557 710 2HG2 THR 87 2HG2 THR 87 0.252 -13.929 0.879 711 3HG2 THR 87 3HG2 THR 87 -0.459 -12.842 2.071 712 H LEU 88 H LEU 88 2.093 -13.856 -1.375 713 HA LEU 88 HA LEU 88 2.376 -16.747 -0.731 714 1HB LEU 88 2HB LEU 88 1.058 -15.934 -3.259 715 2HB LEU 88 1HB LEU 88 0.605 -17.165 -2.096 716 HG LEU 88 HG LEU 88 0.274 -14.233 -1.490 717 1HD1 LEU 88 1HD1 LEU 88 -2.247 -15.174 -2.006 718 2HD1 LEU 88 2HD1 LEU 88 -1.302 -16.000 -3.245 719 3HD1 LEU 88 3HD1 LEU 88 -1.280 -14.239 -3.147 720 1HD2 LEU 88 1HD2 LEU 88 0.226 -15.778 0.422 721 2HD2 LEU 88 2HD2 LEU 88 -0.970 -16.778 -0.400 722 3HD2 LEU 88 3HD2 LEU 88 -1.392 -15.147 0.120 723 H LEU 89 H LEU 89 4.693 -16.715 -1.103 724 HA LEU 89 HA LEU 89 5.513 -16.083 -3.901 725 1HB LEU 89 2HB LEU 89 6.996 -16.279 -1.288 726 2HB LEU 89 1HB LEU 89 7.863 -16.434 -2.817 727 HG LEU 89 HG LEU 89 6.158 -14.214 -3.140 728 1HD1 LEU 89 1HD1 LEU 89 7.420 -12.957 -1.083 729 2HD1 LEU 89 2HD1 LEU 89 7.132 -14.539 -0.360 730 3HD1 LEU 89 3HD1 LEU 89 5.777 -13.592 -0.975 731 1HD2 LEU 89 1HD2 LEU 89 8.285 -12.987 -3.270 732 2HD2 LEU 89 2HD2 LEU 89 8.437 -14.549 -4.075 733 3HD2 LEU 89 3HD2 LEU 89 9.116 -14.317 -2.464 734 H ARG 90 H ARG 90 6.577 -18.479 -1.457 735 HA ARG 90 HA ARG 90 7.333 -20.406 -3.446 736 1HB ARG 90 2HB ARG 90 8.261 -20.424 -1.157 737 2HB ARG 90 1HB ARG 90 6.667 -20.831 -0.520 738 1HG ARG 90 2HG ARG 90 7.164 -23.004 -0.837 739 2HG ARG 90 1HG ARG 90 7.162 -22.696 -2.574 740 1HD ARG 90 2HD ARG 90 9.373 -23.107 -2.622 741 2HD ARG 90 1HD ARG 90 9.629 -21.713 -1.574 742 HE ARG 90 HE ARG 90 9.733 -24.500 -0.753 743 1HH1 ARG 90 2HH1 ARG 90 11.469 -22.561 0.552 744 2HH1 ARG 90 1HH1 ARG 90 10.689 -22.267 2.070 745 1HH2 ARG 90 2HH2 ARG 90 8.523 -22.835 2.356 746 2HH2 ARG 90 1HH2 ARG 90 7.639 -23.567 1.060 747 H ASN 91 HN ASN 91 4.762 -20.838 -1.015 748 HA ASN 91 HA ASN 91 3.366 -22.709 -2.773 749 1HB ASN 91 2HB ASN 91 1.642 -22.665 -0.910 750 2HB ASN 91 1HB ASN 91 3.261 -23.154 -0.410 751 1HD2 ASN 91 1HD2 ASN 91 3.127 -22.357 1.771 752 2HD2 ASN 91 2HD2 ASN 91 2.987 -20.705 2.132 Start of MODEL 9 1 1H GLY 1 1H GLY 1 4.134 -0.527 12.439 2 2H GLY 1 2H GLY 1 4.979 0.309 11.225 3 3H GLY 1 3H GLY 1 3.355 -0.128 10.984 4 1HA GLY 1 1HA GLY 1 3.603 1.480 13.266 5 2HA GLY 1 2HA GLY 1 4.316 2.339 11.867 6 H SER 2 H SER 2 2.129 3.028 10.907 7 HA SER 2 HA SER 2 -0.289 2.357 12.539 8 1HB SER 2 2HB SER 2 -1.092 4.668 11.969 9 2HB SER 2 1HB SER 2 0.350 4.658 12.978 10 HG SER 2 HG SER 2 0.950 4.573 10.324 11 H ARG 3 H ARG 3 -1.371 0.931 11.223 12 HA ARG 3 HA ARG 3 -1.497 1.507 8.311 13 1HB ARG 3 2HB ARG 3 -2.618 -0.772 8.240 14 2HB ARG 3 1HB ARG 3 -0.950 -0.783 8.810 15 1HG ARG 3 2HG ARG 3 -1.657 -0.922 11.110 16 2HG ARG 3 1HG ARG 3 -3.341 -0.652 10.659 17 1HD ARG 3 2HD ARG 3 -2.645 -2.824 9.098 18 2HD ARG 3 1HD ARG 3 -1.771 -3.131 10.598 19 HE ARG 3 HE ARG 3 -4.598 -3.398 10.264 20 1HH1 ARG 3 2HH1 ARG 3 -5.716 -1.869 11.969 21 2HH1 ARG 3 1HH1 ARG 3 -5.146 -2.179 13.576 22 1HH2 ARG 3 2HH2 ARG 3 -3.236 -3.345 13.890 23 2HH2 ARG 3 1HH2 ARG 3 -2.339 -3.926 12.527 24 H ILE 4 H ILE 4 -2.900 3.344 9.851 25 HA ILE 4 HA ILE 4 -5.720 2.496 9.951 26 HB ILE 4 HB ILE 4 -6.135 4.777 10.791 27 1HG1 ILE 4 2HG1 ILE 4 -3.328 5.559 10.989 28 2HG1 ILE 4 1HG1 ILE 4 -3.853 5.406 9.313 29 1HG2 ILE 4 1HG2 ILE 4 -4.462 2.807 11.997 30 2HG2 ILE 4 2HG2 ILE 4 -5.503 3.984 12.798 31 3HG2 ILE 4 3HG2 ILE 4 -3.825 4.392 12.438 32 1HD1 ILE 4 1HD1 ILE 4 -5.751 6.894 9.739 33 2HD1 ILE 4 2HD1 ILE 4 -4.250 7.693 10.212 34 3HD1 ILE 4 3HD1 ILE 4 -5.307 7.001 11.443 35 H ALA 5 H ALA 5 -7.218 4.446 8.985 36 HA ALA 5 HA ALA 5 -6.695 4.350 6.098 37 1HB ALA 5 1HB ALA 5 -8.994 4.267 7.529 38 2HB ALA 5 2HB ALA 5 -8.928 4.789 5.847 39 3HB ALA 5 3HB ALA 5 -8.943 5.987 7.141 40 H LYS 6 H LYS 6 -5.391 5.866 5.195 41 HA LYS 6 HA LYS 6 -5.240 8.551 6.468 42 1HB LYS 6 2HB LYS 6 -3.135 7.169 6.035 43 2HB LYS 6 1HB LYS 6 -3.423 7.443 4.317 44 1HG LYS 6 2HG LYS 6 -2.244 9.357 4.588 45 2HG LYS 6 1HG LYS 6 -3.684 9.980 5.393 46 1HD LYS 6 2HD LYS 6 -2.828 9.554 7.537 47 2HD LYS 6 1HD LYS 6 -1.662 8.372 6.939 48 1HE LYS 6 2HE LYS 6 -1.536 11.306 6.207 49 2HE LYS 6 1HE LYS 6 -0.688 10.633 7.599 50 1HZ LYS 6 1HZ LYS 6 -0.317 9.954 4.740 51 2HZ LYS 6 2HZ LYS 6 0.297 8.990 5.997 52 3HZ LYS 6 3HZ LYS 6 0.826 10.595 5.817 53 H ARG 7 H ARG 7 -5.613 10.411 5.222 54 HA ARG 7 HA ARG 7 -7.666 10.460 3.364 55 1HB ARG 7 2HB ARG 7 -5.762 12.321 4.341 56 2HB ARG 7 1HB ARG 7 -5.741 12.453 2.583 57 1HG ARG 7 2HG ARG 7 -7.447 13.953 3.306 58 2HG ARG 7 1HG ARG 7 -8.299 12.532 2.704 59 1HD ARG 7 2HD ARG 7 -8.035 11.758 5.246 60 2HD ARG 7 1HD ARG 7 -7.972 13.501 5.509 61 HE ARG 7 HE ARG 7 -10.262 13.619 4.935 62 1HH1 ARG 7 2HH1 ARG 7 -11.606 12.884 3.018 63 2HH1 ARG 7 1HH1 ARG 7 -11.898 11.177 2.977 64 1HH2 ARG 7 2HH2 ARG 7 -10.670 9.790 4.274 65 2HH2 ARG 7 1HH2 ARG 7 -9.440 10.436 5.308 66 H THR 8 H THR 8 -7.454 11.091 0.960 67 HA THR 8 HA THR 8 -5.544 9.187 -0.303 68 HB THR 8 HB THR 8 -7.050 9.667 -2.349 69 HG1 THR 8 HG1 THR 8 -8.769 10.518 -0.264 70 1HG2 THR 8 1HG2 THR 8 -8.404 7.850 -1.779 71 2HG2 THR 8 2HG2 THR 8 -8.543 8.358 -0.096 72 3HG2 THR 8 3HG2 THR 8 -7.037 7.652 -0.683 73 H ALA 9 H ALA 9 -3.664 10.335 -0.632 74 HA ALA 9 HA ALA 9 -3.850 13.076 -1.755 75 1HB ALA 9 1HB ALA 9 -1.438 13.210 -1.312 76 2HB ALA 9 2HB ALA 9 -1.411 11.510 -0.852 77 3HB ALA 9 3HB ALA 9 -2.289 12.676 0.136 78 H ILE 10 H ILE 10 -1.643 13.257 -3.345 79 HA ILE 10 HA ILE 10 -2.499 12.020 -5.772 80 HB ILE 10 HB ILE 10 0.061 13.396 -4.985 81 1HG1 ILE 10 2HG1 ILE 10 -1.993 14.268 -7.012 82 2HG1 ILE 10 1HG1 ILE 10 -2.236 14.580 -5.293 83 1HG2 ILE 10 1HG2 ILE 10 0.484 13.446 -7.497 84 2HG2 ILE 10 2HG2 ILE 10 -0.744 12.188 -7.637 85 3HG2 ILE 10 3HG2 ILE 10 0.728 11.883 -6.717 86 1HD1 ILE 10 1HD1 ILE 10 -0.489 16.082 -5.176 87 2HD1 ILE 10 2HD1 ILE 10 -0.956 16.325 -6.859 88 3HD1 ILE 10 3HD1 ILE 10 0.416 15.290 -6.465 89 H ASN 11 H ASN 11 0.631 11.439 -4.112 90 HA ASN 11 HA ASN 11 1.896 9.460 -3.969 91 1HB ASN 11 2HB ASN 11 -0.223 8.599 -2.923 92 2HB ASN 11 1HB ASN 11 -0.754 8.090 -4.525 93 1HD2 ASN 11 1HD2 ASN 11 2.430 7.875 -2.838 94 2HD2 ASN 11 2HD2 ASN 11 2.613 6.209 -3.093 95 H LYS 12 H LYS 12 2.971 10.033 -6.003 96 HA LYS 12 HA LYS 12 3.501 9.725 -8.283 97 1HB LYS 12 2HB LYS 12 2.615 7.023 -7.278 98 2HB LYS 12 1HB LYS 12 3.119 7.235 -8.956 99 1HG LYS 12 2HG LYS 12 5.167 6.735 -8.003 100 2HG LYS 12 1HG LYS 12 5.165 8.490 -7.807 101 1HD LYS 12 2HD LYS 12 4.692 8.374 -5.532 102 2HD LYS 12 1HD LYS 12 3.959 6.775 -5.661 103 1HE LYS 12 2HE LYS 12 6.408 6.093 -6.434 104 2HE LYS 12 1HE LYS 12 6.850 7.529 -5.511 105 1HZ LYS 12 1HZ LYS 12 5.128 5.368 -4.439 106 2HZ LYS 12 2HZ LYS 12 5.836 6.652 -3.579 107 3HZ LYS 12 3HZ LYS 12 6.809 5.414 -4.219 108 H THR 13 H THR 13 1.521 11.195 -8.666 109 HA THR 13 HA THR 13 -1.064 10.439 -9.254 110 HB THR 13 HB THR 13 -0.102 12.091 -11.432 111 HG1 THR 13 HG1 THR 13 1.360 13.191 -10.445 112 1HG2 THR 13 1HG2 THR 13 -2.304 12.454 -10.786 113 2HG2 THR 13 2HG2 THR 13 -1.486 13.774 -9.950 114 3HG2 THR 13 3HG2 THR 13 -1.931 12.313 -9.069 115 H LYS 14 H LYS 14 -2.094 10.034 -11.455 116 HA LYS 14 HA LYS 14 -1.302 7.606 -12.572 117 1HB LYS 14 2HB LYS 14 -2.635 8.251 -14.571 118 2HB LYS 14 1HB LYS 14 -3.477 8.635 -13.069 119 1HG LYS 14 2HG LYS 14 -2.448 10.971 -13.262 120 2HG LYS 14 1HG LYS 14 -2.008 10.529 -14.912 121 1HD LYS 14 2HD LYS 14 -4.077 11.150 -15.543 122 2HD LYS 14 1HD LYS 14 -4.700 9.768 -14.639 123 1HE LYS 14 2HE LYS 14 -4.044 12.330 -13.209 124 2HE LYS 14 1HE LYS 14 -5.583 12.160 -14.053 125 1HZ LYS 14 1HZ LYS 14 -5.411 9.842 -12.700 126 2HZ LYS 14 2HZ LYS 14 -6.254 11.215 -12.158 127 3HZ LYS 14 3HZ LYS 14 -4.672 10.916 -11.615 128 H LYS 15 H LYS 15 -0.470 10.876 -13.765 129 HA LYS 15 HA LYS 15 1.209 9.963 -15.897 130 1HB LYS 15 2HB LYS 15 0.669 12.511 -14.511 131 2HB LYS 15 1HB LYS 15 2.303 12.377 -15.163 132 1HG LYS 15 2HG LYS 15 1.344 11.726 -17.364 133 2HG LYS 15 1HG LYS 15 -0.276 11.953 -16.704 134 1HD LYS 15 2HD LYS 15 -0.126 14.227 -16.774 135 2HD LYS 15 1HD LYS 15 1.578 14.230 -16.311 136 1HE LYS 15 2HE LYS 15 2.297 13.798 -18.523 137 2HE LYS 15 1HE LYS 15 0.693 13.271 -19.033 138 1HZ LYS 15 1HZ LYS 15 0.449 15.864 -18.050 139 2HZ LYS 15 2HZ LYS 15 0.275 15.336 -19.656 140 3HZ LYS 15 3HZ LYS 15 1.789 15.859 -19.089 141 H ALA 16 H ALA 16 1.854 10.788 -12.503 142 HA ALA 16 HA ALA 16 4.681 9.978 -12.817 143 1HB ALA 16 1HB ALA 16 3.265 10.868 -10.292 144 2HB ALA 16 2HB ALA 16 3.979 11.997 -11.444 145 3HB ALA 16 3HB ALA 16 5.002 10.839 -10.593 146 H ASP 17 H ASP 17 2.384 8.052 -13.019 147 HA ASP 17 HA ASP 17 2.749 6.373 -10.598 148 1HB ASP 17 2HB ASP 17 0.520 6.811 -11.985 149 2HB ASP 17 1HB ASP 17 1.148 5.492 -12.972 150 H VAL 18 H VAL 18 3.554 6.461 -14.027 151 HA VAL 18 HA VAL 18 4.979 3.857 -13.733 152 HB VAL 18 HB VAL 18 4.990 5.048 -16.409 153 1HG1 VAL 18 1HG1 VAL 18 5.433 2.625 -15.579 154 2HG1 VAL 18 2HG1 VAL 18 4.509 2.842 -17.066 155 3HG1 VAL 18 3HG1 VAL 18 3.675 2.477 -15.557 156 1HG2 VAL 18 1HG2 VAL 18 2.449 4.322 -16.620 157 2HG2 VAL 18 2HG2 VAL 18 2.866 5.960 -16.113 158 3HG2 VAL 18 3HG2 VAL 18 2.405 4.755 -14.910 159 H LYS 19 H LYS 19 5.425 7.276 -14.156 160 HA LYS 19 HA LYS 19 8.255 6.974 -14.932 161 1HB LYS 19 2HB LYS 19 8.278 9.314 -15.237 162 2HB LYS 19 1HB LYS 19 6.634 8.871 -15.688 163 1HG LYS 19 2HG LYS 19 6.029 10.492 -14.216 164 2HG LYS 19 1HG LYS 19 6.363 9.265 -12.994 165 1HD LYS 19 2HD LYS 19 8.191 10.360 -12.244 166 2HD LYS 19 1HD LYS 19 8.783 10.648 -13.881 167 1HE LYS 19 2HE LYS 19 7.296 12.556 -14.138 168 2HE LYS 19 1HE LYS 19 6.550 12.226 -12.574 169 1HZ LYS 19 1HZ LYS 19 9.066 13.504 -13.184 170 2HZ LYS 19 2HZ LYS 19 9.151 12.357 -11.933 171 3HZ LYS 19 3HZ LYS 19 8.069 13.661 -11.819 172 H ALA 20 H ALA 20 6.315 7.560 -12.087 173 HA ALA 20 HA ALA 20 8.497 8.458 -10.388 174 1HB ALA 20 1HB ALA 20 6.905 8.048 -8.552 175 2HB ALA 20 2HB ALA 20 5.822 7.227 -9.675 176 3HB ALA 20 3HB ALA 20 6.137 8.952 -9.858 177 H ILE 21 H ILE 21 7.361 5.372 -11.505 178 HA ILE 21 HA ILE 21 8.580 3.872 -9.324 179 HB ILE 21 HB ILE 21 7.528 3.064 -12.049 180 1HG1 ILE 21 2HG1 ILE 21 5.615 2.378 -10.962 181 2HG1 ILE 21 1HG1 ILE 21 6.473 1.993 -9.479 182 1HG2 ILE 21 1HG2 ILE 21 7.920 0.858 -10.245 183 2HG2 ILE 21 2HG2 ILE 21 9.448 1.692 -10.487 184 3HG2 ILE 21 3HG2 ILE 21 8.555 1.075 -11.875 185 1HD1 ILE 21 1HD1 ILE 21 6.693 4.418 -8.992 186 2HD1 ILE 21 2HD1 ILE 21 5.004 3.926 -9.127 187 3HD1 ILE 21 3HD1 ILE 21 5.783 4.778 -10.460 188 H ALA 22 H ALA 22 9.608 5.117 -12.445 189 HA ALA 22 HA ALA 22 12.105 3.544 -12.351 190 1HB ALA 22 1HB ALA 22 12.539 5.197 -14.404 191 2HB ALA 22 2HB ALA 22 10.784 5.360 -14.318 192 3HB ALA 22 3HB ALA 22 11.511 3.772 -14.567 193 H ASP 23 H ASP 23 11.036 6.858 -11.769 194 HA ASP 23 HA ASP 23 13.822 7.735 -11.312 195 1HB ASP 23 2HB ASP 23 12.415 9.280 -12.547 196 2HB ASP 23 1HB ASP 23 11.191 9.240 -11.277 197 H ALA 24 H ALA 24 11.165 6.550 -9.481 198 HA ALA 24 HA ALA 24 12.147 7.872 -7.019 199 1HB ALA 24 1HB ALA 24 9.674 7.643 -7.488 200 2HB ALA 24 2HB ALA 24 10.190 7.010 -5.925 201 3HB ALA 24 3HB ALA 24 9.861 5.904 -7.258 202 H TRP 25 H TRP 25 12.075 6.205 -5.055 203 HA TRP 25 HA TRP 25 13.111 4.433 -3.977 204 1HB TRP 25 2HB TRP 25 13.658 2.829 -6.396 205 2HB TRP 25 1HB TRP 25 13.020 2.337 -4.847 206 HD1 TRP 25 HD1 TRP 25 10.605 4.877 -5.889 207 HE1 TRP 25 HE1 TRP 25 8.684 3.847 -7.204 208 HE3 TRP 25 HE3 TRP 25 12.530 0.238 -6.856 209 HZ2 TRP 25 HZ2 TRP 25 8.030 1.396 -8.482 210 HZ3 TRP 25 HZ3 TRP 25 11.197 -1.409 -8.112 211 HH2 TRP 25 HH2 TRP 25 8.958 -0.823 -8.935 212 H GLN 26 H GLN 26 15.201 2.764 -5.555 213 HA GLN 26 HA GLN 26 17.351 4.782 -5.278 214 1HB GLN 26 2HB GLN 26 17.400 2.484 -4.148 215 2HB GLN 26 1HB GLN 26 17.666 1.815 -5.757 216 1HG GLN 26 2HG GLN 26 19.398 4.099 -4.947 217 2HG GLN 26 1HG GLN 26 19.703 2.544 -4.170 218 1HE2 GLN 26 1HE2 GLN 26 20.761 4.318 -6.725 219 2HE2 GLN 26 2HE2 GLN 26 21.163 3.076 -7.810 220 H ILE 27 H ILE 27 16.461 5.695 -7.483 221 HA ILE 27 HA ILE 27 17.469 4.082 -9.774 222 HB ILE 27 HB ILE 27 15.704 4.943 -10.893 223 1HG1 ILE 27 2HG1 ILE 27 17.374 6.799 -11.446 224 2HG1 ILE 27 1HG1 ILE 27 15.671 7.209 -11.633 225 1HG2 ILE 27 1HG2 ILE 27 14.999 6.969 -8.824 226 2HG2 ILE 27 2HG2 ILE 27 14.922 5.268 -8.399 227 3HG2 ILE 27 3HG2 ILE 27 13.967 5.878 -9.737 228 1HD1 ILE 27 1HD1 ILE 27 17.136 7.775 -9.056 229 2HD1 ILE 27 2HD1 ILE 27 15.643 8.498 -9.652 230 3HD1 ILE 27 3HD1 ILE 27 17.184 8.909 -10.404 231 H ASN 28 H ASN 28 18.415 6.563 -7.681 232 HA ASN 28 HA ASN 28 20.938 6.914 -9.038 233 1HB ASN 28 2HB ASN 28 19.370 8.373 -10.411 234 2HB ASN 28 1HB ASN 28 19.154 9.362 -8.966 235 1HD2 ASN 28 1HD2 ASN 28 21.455 9.956 -7.907 236 2HD2 ASN 28 2HD2 ASN 28 22.630 10.478 -9.010 237 H GLY 29 H GLY 29 18.605 8.106 -6.661 238 1HA GLY 29 2HA GLY 29 19.189 8.202 -4.294 239 2HA GLY 29 1HA GLY 29 20.873 8.445 -4.761 240 H GLU 30 H GLU 30 19.979 10.373 -6.882 241 HA GLU 30 HA GLU 30 19.528 12.704 -5.072 242 1HB GLU 30 2HB GLU 30 21.665 12.930 -6.128 243 2HB GLU 30 1HB GLU 30 21.017 12.443 -7.694 244 1HG GLU 30 2HG GLU 30 19.815 14.479 -7.949 245 2HG GLU 30 1HG GLU 30 20.023 14.904 -6.249 246 H LYS 31 H LYS 31 18.514 11.056 -7.998 247 HA LYS 31 HA LYS 31 16.540 13.164 -8.628 248 1HB LYS 31 2HB LYS 31 17.580 10.718 -9.990 249 2HB LYS 31 1HB LYS 31 15.938 11.229 -10.385 250 1HG LYS 31 2HG LYS 31 17.015 12.570 -11.890 251 2HG LYS 31 1HG LYS 31 17.211 13.621 -10.486 252 1HD LYS 31 2HD LYS 31 19.352 12.060 -10.102 253 2HD LYS 31 1HD LYS 31 19.221 11.888 -11.854 254 1HE LYS 31 2HE LYS 31 18.867 14.657 -10.994 255 2HE LYS 31 1HE LYS 31 20.432 14.006 -10.509 256 1HZ LYS 31 1HZ LYS 31 21.088 13.722 -12.643 257 2HZ LYS 31 2HZ LYS 31 20.021 15.021 -12.893 258 3HZ LYS 31 3HZ LYS 31 19.521 13.431 -13.220 259 H GLU 32 H GLU 32 16.712 9.982 -7.154 260 HA GLU 32 HA GLU 32 13.801 9.625 -7.147 261 1HB GLU 32 2HB GLU 32 14.283 7.674 -5.690 262 2HB GLU 32 1HB GLU 32 15.264 7.639 -7.156 263 1HG GLU 32 2HG GLU 32 16.839 7.182 -5.472 264 2HG GLU 32 1HG GLU 32 17.027 8.918 -5.704 265 H LEU 33 H LEU 33 16.267 10.878 -4.961 266 HA LEU 33 HA LEU 33 14.654 10.940 -2.603 267 1HB LEU 33 2HB LEU 33 16.308 12.339 -1.672 268 2HB LEU 33 1HB LEU 33 17.200 11.394 -2.862 269 HG LEU 33 HG LEU 33 16.599 13.368 -4.485 270 1HD1 LEU 33 1HD1 LEU 33 16.853 15.317 -2.411 271 2HD1 LEU 33 2HD1 LEU 33 15.494 14.270 -2.003 272 3HD1 LEU 33 3HD1 LEU 33 15.524 15.113 -3.552 273 1HD2 LEU 33 1HD2 LEU 33 18.748 14.142 -4.151 274 2HD2 LEU 33 2HD2 LEU 33 18.842 12.666 -3.190 275 3HD2 LEU 33 3HD2 LEU 33 18.560 14.216 -2.399 276 H GLU 34 H GLU 34 14.825 13.034 -5.415 277 HA GLU 34 HA GLU 34 13.390 15.248 -4.315 278 1HB GLU 34 2HB GLU 34 14.780 15.072 -6.509 279 2HB GLU 34 1HB GLU 34 13.281 14.465 -7.217 280 1HG GLU 34 2HG GLU 34 12.094 16.471 -6.420 281 2HG GLU 34 1HG GLU 34 13.603 17.064 -5.729 282 H LEU 35 H LEU 35 12.240 12.722 -6.613 283 HA LEU 35 HA LEU 35 9.557 13.334 -6.632 284 1HB LEU 35 2HB LEU 35 10.710 11.409 -7.849 285 2HB LEU 35 1HB LEU 35 10.584 10.492 -6.351 286 HG LEU 35 HG LEU 35 8.694 10.370 -8.258 287 1HD1 LEU 35 1HD1 LEU 35 7.192 9.531 -6.573 288 2HD1 LEU 35 2HD1 LEU 35 7.976 10.491 -5.323 289 3HD1 LEU 35 3HD1 LEU 35 8.831 9.138 -6.054 290 1HD2 LEU 35 1HD2 LEU 35 6.791 11.819 -7.630 291 2HD2 LEU 35 2HD2 LEU 35 8.175 12.781 -8.150 292 3HD2 LEU 35 3HD2 LEU 35 7.806 12.626 -6.433 293 H LEU 36 H LEU 36 11.110 11.129 -4.280 294 HA LEU 36 HA LEU 36 8.811 10.849 -2.641 295 1HB LEU 36 2HB LEU 36 11.109 9.551 -2.680 296 2HB LEU 36 1HB LEU 36 11.577 10.764 -1.482 297 HG LEU 36 HG LEU 36 10.592 8.726 -0.436 298 1HD1 LEU 36 1HD1 LEU 36 9.517 9.996 1.171 299 2HD1 LEU 36 2HD1 LEU 36 8.556 10.862 -0.017 300 3HD1 LEU 36 3HD1 LEU 36 10.232 11.315 0.245 301 1HD2 LEU 36 1HD2 LEU 36 8.464 7.978 -0.985 302 2HD2 LEU 36 2HD2 LEU 36 8.961 8.633 -2.547 303 3HD2 LEU 36 3HD2 LEU 36 7.923 9.580 -1.484 304 H GLN 37 H GLN 37 11.320 13.300 -2.751 305 HA GLN 37 HA GLN 37 10.951 14.483 -0.227 306 1HB GLN 37 2HB GLN 37 12.572 15.104 -2.184 307 2HB GLN 37 1HB GLN 37 11.260 16.150 -2.724 308 1HG GLN 37 2HG GLN 37 11.509 17.600 -0.963 309 2HG GLN 37 1HG GLN 37 12.005 16.323 0.151 310 1HE2 GLN 37 1HE2 GLN 37 13.545 16.558 -2.999 311 2HE2 GLN 37 2HE2 GLN 37 15.045 17.118 -2.438 312 H GLN 38 H GLN 38 8.814 14.303 -2.924 313 HA GLN 38 HA GLN 38 6.858 15.956 -1.409 314 1HB GLN 38 2HB GLN 38 7.942 17.197 -3.386 315 2HB GLN 38 1HB GLN 38 7.060 16.073 -4.421 316 1HG GLN 38 2HG GLN 38 5.606 17.930 -4.219 317 2HG GLN 38 1HG GLN 38 4.972 16.758 -3.062 318 1HE2 GLN 38 1HE2 GLN 38 6.509 19.897 -3.379 319 2HE2 GLN 38 2HE2 GLN 38 6.497 20.283 -1.725 320 H ILE 39 H ILE 39 7.396 12.948 -2.116 321 HA ILE 39 HA ILE 39 4.667 12.463 -3.159 322 HB ILE 39 HB ILE 39 7.219 11.153 -3.824 323 1HG1 ILE 39 2HG1 ILE 39 6.210 11.132 -6.007 324 2HG1 ILE 39 1HG1 ILE 39 4.602 11.357 -5.339 325 1HG2 ILE 39 1HG2 ILE 39 6.042 9.050 -4.417 326 2HG2 ILE 39 2HG2 ILE 39 4.567 9.676 -3.680 327 3HG2 ILE 39 3HG2 ILE 39 5.977 9.339 -2.678 328 1HD1 ILE 39 1HD1 ILE 39 6.017 13.398 -6.362 329 2HD1 ILE 39 2HD1 ILE 39 6.621 13.449 -4.709 330 3HD1 ILE 39 3HD1 ILE 39 4.895 13.613 -5.019 331 H ALA 40 H ALA 40 7.113 11.131 -0.907 332 HA ALA 40 HA ALA 40 5.163 9.319 0.300 333 1HB ALA 40 1HB ALA 40 7.702 10.331 1.606 334 2HB ALA 40 2HB ALA 40 7.678 8.984 0.473 335 3HB ALA 40 3HB ALA 40 6.810 8.864 1.995 336 H GLN 41 H GLN 41 5.667 12.598 0.311 337 HA GLN 41 HA GLN 41 4.620 13.061 3.022 338 1HB GLN 41 2HB GLN 41 5.036 15.157 0.926 339 2HB GLN 41 1HB GLN 41 5.204 15.312 2.675 340 1HG GLN 41 2HG GLN 41 7.045 13.709 0.874 341 2HG GLN 41 1HG GLN 41 7.427 15.279 1.568 342 1HE2 GLN 41 1HE2 GLN 41 8.703 12.566 2.038 343 2HE2 GLN 41 2HE2 GLN 41 8.642 12.345 3.717 344 H LYS 42 H LYS 42 3.572 12.654 -0.182 345 HA LYS 42 HA LYS 42 0.827 13.494 0.625 346 1HB LYS 42 2HB LYS 42 0.604 14.343 -1.825 347 2HB LYS 42 1HB LYS 42 1.407 15.372 -0.639 348 1HG LYS 42 2HG LYS 42 3.081 15.457 -2.172 349 2HG LYS 42 1HG LYS 42 3.509 13.867 -1.555 350 1HD LYS 42 2HD LYS 42 3.381 13.587 -3.903 351 2HD LYS 42 1HD LYS 42 1.858 12.926 -3.299 352 1HE LYS 42 2HE LYS 42 1.583 14.464 -5.271 353 2HE LYS 42 1HE LYS 42 0.692 14.987 -3.842 354 1HZ LYS 42 1HZ LYS 42 3.432 15.956 -4.316 355 2HZ LYS 42 2HZ LYS 42 2.181 16.675 -3.419 356 3HZ LYS 42 3HZ LYS 42 2.126 16.684 -5.118 357 HA PRO 43 HA PRO 43 1.098 9.544 -2.037 358 1HB PRO 43 2HB PRO 43 1.183 7.628 -0.074 359 2HB PRO 43 1HB PRO 43 2.630 8.275 -0.869 360 1HG PRO 43 2HG PRO 43 1.540 8.891 1.854 361 2HG PRO 43 1HG PRO 43 3.219 8.853 1.293 362 1HD PRO 43 2HD PRO 43 1.756 11.209 1.664 363 2HD PRO 43 1HD PRO 43 3.169 11.040 0.618 364 H GLY 44 H GLY 44 -0.147 8.621 1.133 365 1HA GLY 44 2HA GLY 44 -2.321 8.077 1.823 366 2HA GLY 44 1HA GLY 44 -2.850 9.430 0.819 367 H ALA 45 H ALA 45 -1.008 7.053 -0.812 368 HA ALA 45 HA ALA 45 -3.324 5.441 -1.602 369 1HB ALA 45 1HB ALA 45 -2.112 6.517 -4.012 370 2HB ALA 45 2HB ALA 45 -2.794 7.794 -3.005 371 3HB ALA 45 3HB ALA 45 -3.811 6.458 -3.546 372 H LEU 46 H LEU 46 0.011 5.638 -1.071 373 HA LEU 46 HA LEU 46 1.246 4.148 -3.058 374 1HB LEU 46 2HB LEU 46 1.895 4.855 -0.460 375 2HB LEU 46 1HB LEU 46 1.850 3.095 -0.382 376 HG LEU 46 HG LEU 46 3.404 4.691 -2.439 377 1HD1 LEU 46 1HD1 LEU 46 5.336 4.333 -1.169 378 2HD1 LEU 46 2HD1 LEU 46 4.610 3.008 -0.261 379 3HD1 LEU 46 3HD1 LEU 46 4.137 4.672 0.079 380 1HD2 LEU 46 1HD2 LEU 46 3.852 1.798 -1.816 381 2HD2 LEU 46 2HD2 LEU 46 4.095 2.665 -3.332 382 3HD2 LEU 46 3HD2 LEU 46 2.466 2.226 -2.817 383 H ARG 47 H ARG 47 0.129 2.486 -0.136 384 HA ARG 47 HA ARG 47 -0.137 0.007 -0.237 385 1HB ARG 47 2HB ARG 47 -2.548 1.775 -0.379 386 2HB ARG 47 1HB ARG 47 -2.765 0.025 -0.346 387 1HG ARG 47 2HG ARG 47 -1.099 0.099 1.663 388 2HG ARG 47 1HG ARG 47 -1.526 1.810 1.736 389 1HD ARG 47 2HD ARG 47 -3.998 0.728 1.516 390 2HD ARG 47 1HD ARG 47 -3.172 -0.577 2.369 391 HE ARG 47 HE ARG 47 -2.564 1.932 3.624 392 1HH1 ARG 47 2HH1 ARG 47 -3.084 1.258 5.885 393 2HH1 ARG 47 1HH1 ARG 47 -4.752 0.897 6.176 394 1HH2 ARG 47 2HH2 ARG 47 -6.168 0.612 4.438 395 2HH2 ARG 47 1HH2 ARG 47 -5.585 0.756 2.813 396 H ILE 48 H ILE 48 -2.481 1.288 -2.636 397 HA ILE 48 HA ILE 48 -2.820 -1.050 -4.069 398 HB ILE 48 HB ILE 48 -3.750 1.466 -4.375 399 1HG1 ILE 48 2HG1 ILE 48 -3.757 -0.624 -6.567 400 2HG1 ILE 48 1HG1 ILE 48 -4.761 -0.698 -5.117 401 1HG2 ILE 48 1HG2 ILE 48 -1.838 1.002 -6.669 402 2HG2 ILE 48 2HG2 ILE 48 -1.836 2.361 -5.544 403 3HG2 ILE 48 3HG2 ILE 48 -3.149 2.179 -6.704 404 1HD1 ILE 48 1HD1 ILE 48 -6.283 0.561 -6.201 405 2HD1 ILE 48 2HD1 ILE 48 -5.175 0.830 -7.546 406 3HD1 ILE 48 3HD1 ILE 48 -5.130 1.894 -6.141 407 H LEU 49 H LEU 49 -0.354 1.433 -5.065 408 HA LEU 49 HA LEU 49 0.915 -0.615 -6.760 409 1HB LEU 49 2HB LEU 49 2.483 1.823 -6.194 410 2HB LEU 49 1HB LEU 49 2.062 1.102 -7.743 411 HG LEU 49 HG LEU 49 -0.369 2.001 -6.960 412 1HD1 LEU 49 1HD1 LEU 49 0.499 4.488 -6.271 413 2HD1 LEU 49 2HD1 LEU 49 1.681 3.483 -5.433 414 3HD1 LEU 49 3HD1 LEU 49 -0.039 3.284 -5.101 415 1HD2 LEU 49 1HD2 LEU 49 0.691 2.428 -9.126 416 2HD2 LEU 49 2HD2 LEU 49 1.802 3.571 -8.373 417 3HD2 LEU 49 3HD2 LEU 49 0.080 3.939 -8.454 418 H ASN 50 H ASN 50 1.082 0.400 -3.505 419 HA ASN 50 HA ASN 50 3.836 -0.074 -2.944 420 1HB ASN 50 2HB ASN 50 2.193 0.989 -1.351 421 2HB ASN 50 1HB ASN 50 1.510 -0.612 -1.081 422 1HD2 ASN 50 1HD2 ASN 50 4.995 0.069 -1.555 423 2HD2 ASN 50 2HD2 ASN 50 5.465 -0.433 -0.005 424 H HIS 51 H HIS 51 1.087 -2.233 -3.319 425 HA HIS 51 HA HIS 51 1.927 -4.575 -2.115 426 1HB HIS 51 2HB HIS 51 -0.129 -4.503 -3.431 427 2HB HIS 51 1HB HIS 51 0.792 -4.259 -4.916 428 HD1 HIS 51 HD1 HIS 51 0.530 -6.849 -2.119 429 HD2 HIS 51 HD2 HIS 51 1.429 -6.621 -6.181 430 HE1 HIS 51 HE1 HIS 51 0.883 -9.230 -2.909 431 H SER 52 H SER 52 3.355 -2.951 -4.900 432 HA SER 52 HA SER 52 5.541 -4.970 -4.791 433 1HB SER 52 2HB SER 52 4.958 -3.586 -7.353 434 2HB SER 52 1HB SER 52 5.536 -5.224 -7.066 435 HG SER 52 HG SER 52 3.287 -5.440 -6.083 436 H LEU 53 H LEU 53 4.644 -1.780 -4.338 437 HA LEU 53 HA LEU 53 7.127 -0.621 -5.376 438 1HB LEU 53 2HB LEU 53 4.584 0.444 -4.710 439 2HB LEU 53 1HB LEU 53 5.734 1.165 -3.585 440 HG LEU 53 HG LEU 53 7.068 2.052 -5.342 441 1HD1 LEU 53 1HD1 LEU 53 7.329 0.310 -6.871 442 2HD1 LEU 53 2HD1 LEU 53 6.317 1.433 -7.771 443 3HD1 LEU 53 3HD1 LEU 53 5.599 0.030 -6.991 444 1HD2 LEU 53 1HD2 LEU 53 5.428 3.615 -5.509 445 2HD2 LEU 53 2HD2 LEU 53 4.151 2.399 -5.535 446 3HD2 LEU 53 3HD2 LEU 53 5.014 2.804 -7.019 447 H ARG 54 H ARG 54 6.081 -2.178 -2.563 448 HA ARG 54 HA ARG 54 7.651 -0.887 -0.571 449 1HB ARG 54 2HB ARG 54 6.063 -2.676 0.001 450 2HB ARG 54 1HB ARG 54 7.004 -3.839 -0.933 451 1HG ARG 54 2HG ARG 54 8.818 -2.593 0.849 452 2HG ARG 54 1HG ARG 54 7.386 -2.998 1.796 453 1HD ARG 54 2HD ARG 54 8.386 -5.061 -0.109 454 2HD ARG 54 1HD ARG 54 9.339 -4.781 1.348 455 HE ARG 54 HE ARG 54 6.634 -5.034 2.150 456 1HH1 ARG 54 2HH1 ARG 54 5.633 -7.170 1.229 457 2HH1 ARG 54 1HH1 ARG 54 6.612 -8.553 1.589 458 1HH2 ARG 54 2HH2 ARG 54 8.757 -8.281 2.241 459 2HH2 ARG 54 1HH2 ARG 54 9.425 -6.689 2.380 460 H LEU 55 H LEU 55 8.454 -2.720 -3.371 461 HA LEU 55 HA LEU 55 11.054 -3.687 -2.709 462 1HB LEU 55 2HB LEU 55 9.396 -3.407 -5.067 463 2HB LEU 55 1HB LEU 55 11.053 -2.929 -5.431 464 HG LEU 55 HG LEU 55 10.511 -5.411 -5.722 465 1HD1 LEU 55 1HD1 LEU 55 12.745 -5.591 -5.578 466 2HD1 LEU 55 2HD1 LEU 55 12.657 -5.576 -3.817 467 3HD1 LEU 55 3HD1 LEU 55 12.791 -4.059 -4.707 468 1HD2 LEU 55 1HD2 LEU 55 10.856 -5.577 -2.739 469 2HD2 LEU 55 2HD2 LEU 55 10.161 -6.762 -3.845 470 3HD2 LEU 55 3HD2 LEU 55 9.247 -5.317 -3.413 471 H ALA 56 H ALA 56 9.908 -0.607 -4.021 472 HA ALA 56 HA ALA 56 12.035 0.800 -4.857 473 1HB ALA 56 1HB ALA 56 11.179 2.748 -3.337 474 2HB ALA 56 2HB ALA 56 9.917 1.605 -2.881 475 3HB ALA 56 3HB ALA 56 10.103 2.087 -4.567 476 H ALA 57 H ALA 57 11.558 -0.214 -1.499 477 HA ALA 57 HA ALA 57 14.181 0.977 -0.758 478 1HB ALA 57 1HB ALA 57 13.172 1.330 1.225 479 2HB ALA 57 2HB ALA 57 12.989 -0.412 1.430 480 3HB ALA 57 3HB ALA 57 11.718 0.521 0.640 481 H MET 58 H MET 58 12.486 -2.117 -1.054 482 HA MET 58 HA MET 58 14.645 -3.721 0.020 483 1HB MET 58 2HB MET 58 12.028 -4.158 -1.199 484 2HB MET 58 1HB MET 58 13.217 -5.337 -1.751 485 1HG MET 58 2HG MET 58 13.825 -5.771 0.641 486 2HG MET 58 1HG MET 58 12.518 -4.691 1.129 487 1HE MET 58 1HE MET 58 13.647 -8.067 -0.059 488 2HE MET 58 2HE MET 58 13.057 -7.471 -1.608 489 3HE MET 58 3HE MET 58 12.242 -8.822 -0.824 490 H THR 59 H THR 59 16.532 -2.962 -1.121 491 HA THR 59 HA THR 59 16.595 -3.157 -4.048 492 HB THR 59 HB THR 59 17.898 -1.389 -3.024 493 HG1 THR 59 HG1 THR 59 18.788 -2.677 -4.817 494 1HG2 THR 59 1HG2 THR 59 18.422 -3.409 -1.075 495 2HG2 THR 59 2HG2 THR 59 18.841 -1.698 -1.010 496 3HG2 THR 59 3HG2 THR 59 19.968 -2.855 -1.717 497 H ALA 60 H ALA 60 16.570 -5.456 -1.747 498 HA ALA 60 HA ALA 60 18.754 -7.094 -2.906 499 1HB ALA 60 1HB ALA 60 17.634 -6.885 -0.330 500 2HB ALA 60 2HB ALA 60 18.837 -8.057 -0.868 501 3HB ALA 60 3HB ALA 60 17.122 -8.459 -0.937 502 H HIS 61 H HIS 61 15.383 -7.811 -1.958 503 HA HIS 61 HA HIS 61 13.929 -9.430 -2.909 504 1HB HIS 61 2HB HIS 61 13.651 -7.211 -4.180 505 2HB HIS 61 1HB HIS 61 14.595 -7.966 -5.466 506 HD1 HIS 61 HD1 HIS 61 12.778 -10.591 -3.870 507 HD2 HIS 61 HD2 HIS 61 11.775 -7.676 -6.675 508 HE1 HIS 61 HE1 HIS 61 10.662 -11.390 -5.006 509 H GLY 62 H GLY 62 15.581 -11.203 -2.628 510 1HA GLY 62 2HA GLY 62 17.318 -11.945 -4.798 511 2HA GLY 62 1HA GLY 62 16.808 -13.014 -3.492 512 H LYS 63 H LYS 63 15.935 -11.793 -6.687 513 HA LYS 63 HA LYS 63 14.831 -14.227 -7.592 514 1HB LYS 63 2HB LYS 63 13.140 -13.153 -5.712 515 2HB LYS 63 1HB LYS 63 12.470 -12.506 -7.208 516 1HG LYS 63 2HG LYS 63 13.178 -15.276 -7.582 517 2HG LYS 63 1HG LYS 63 12.134 -15.115 -6.169 518 1HD LYS 63 2HD LYS 63 10.404 -14.085 -7.426 519 2HD LYS 63 1HD LYS 63 11.482 -13.748 -8.781 520 1HE LYS 63 2HE LYS 63 10.016 -15.656 -9.298 521 2HE LYS 63 1HE LYS 63 11.701 -16.173 -9.207 522 1HZ LYS 63 1HZ LYS 63 9.747 -16.375 -6.980 523 2HZ LYS 63 2HZ LYS 63 11.341 -16.961 -6.984 524 3HZ LYS 63 3HZ LYS 63 10.176 -17.656 -8.005 525 H GLY 64 H GLY 64 14.654 -10.692 -7.718 526 1HA GLY 64 2HA GLY 64 14.889 -10.865 -10.666 527 2HA GLY 64 1HA GLY 64 13.504 -9.978 -10.031 528 H GLU 65 H GLU 65 13.861 -8.014 -8.920 529 HA GLU 65 HA GLU 65 14.892 -5.870 -9.075 530 1HB GLU 65 2HB GLU 65 16.645 -5.742 -7.326 531 2HB GLU 65 1HB GLU 65 15.245 -6.673 -6.796 532 1HG GLU 65 2HG GLU 65 16.491 -8.526 -6.515 533 2HG GLU 65 1HG GLU 65 17.189 -8.375 -8.123 534 H ARG 66 H ARG 66 15.717 -5.362 -11.097 535 HA ARG 66 HA ARG 66 18.015 -6.619 -12.265 536 1HB ARG 66 2HB ARG 66 16.323 -5.356 -13.572 537 2HB ARG 66 1HB ARG 66 16.884 -3.861 -12.824 538 1HG ARG 66 2HG ARG 66 18.341 -3.725 -14.550 539 2HG ARG 66 1HG ARG 66 19.232 -5.012 -13.736 540 1HD ARG 66 2HD ARG 66 17.047 -6.186 -15.178 541 2HD ARG 66 1HD ARG 66 17.935 -5.122 -16.269 542 HE ARG 66 HE ARG 66 19.805 -6.709 -14.799 543 1HH1 ARG 66 2HH1 ARG 66 18.831 -6.215 -17.865 544 2HH1 ARG 66 1HH1 ARG 66 18.910 -7.862 -18.396 545 1HH2 ARG 66 1HH2 ARG 66 19.289 -9.150 -15.199 546 2HH2 ARG 66 2HH2 ARG 66 19.169 -9.524 -16.886 547 H VAL 67 H VAL 67 18.575 -3.246 -12.327 548 HA VAL 67 HA VAL 67 20.075 -2.841 -9.955 549 HB VAL 67 HB VAL 67 21.464 -4.705 -10.788 550 1HG1 VAL 67 1HG1 VAL 67 20.871 -3.913 -13.261 551 2HG1 VAL 67 2HG1 VAL 67 22.370 -4.777 -12.918 552 3HG1 VAL 67 3HG1 VAL 67 22.383 -3.021 -13.084 553 1HG2 VAL 67 1HG2 VAL 67 23.154 -2.299 -11.310 554 2HG2 VAL 67 2HG2 VAL 67 23.456 -3.672 -10.243 555 3HG2 VAL 67 3HG2 VAL 67 22.344 -2.396 -9.746 556 H ASN 68 H ASN 68 18.427 -1.317 -11.748 557 HA ASN 68 HA ASN 68 19.984 1.086 -11.945 558 1HB ASN 68 2HB ASN 68 20.181 -0.710 -14.181 559 2HB ASN 68 1HB ASN 68 19.289 0.726 -14.685 560 1HD2 ASN 68 1HD2 ASN 68 21.038 1.665 -15.912 561 2HD2 ASN 68 2HD2 ASN 68 22.458 2.234 -15.176 562 H GLU 69 H GLU 69 18.555 2.497 -13.846 563 HA GLU 69 HA GLU 69 16.141 3.150 -12.590 564 1HB GLU 69 2HB GLU 69 15.410 3.921 -14.948 565 2HB GLU 69 1HB GLU 69 16.882 4.637 -14.292 566 1HG GLU 69 2HG GLU 69 18.279 3.252 -15.625 567 2HG GLU 69 1HG GLU 69 16.950 2.162 -16.021 568 H ASP 70 H ASP 70 16.856 0.479 -14.734 569 HA ASP 70 HA ASP 70 14.079 -0.200 -15.243 570 1HB ASP 70 2HB ASP 70 16.158 -2.330 -15.277 571 2HB ASP 70 1HB ASP 70 14.886 -1.981 -16.447 572 H TYR 71 H TYR 71 16.577 -1.328 -12.973 573 HA TYR 71 HA TYR 71 15.555 -3.401 -11.579 574 1HB TYR 71 2HB TYR 71 17.437 -2.379 -10.586 575 2HB TYR 71 1HB TYR 71 16.660 -0.800 -10.525 576 HD1 TYR 71 HD1 TYR 71 16.291 -0.103 -8.352 577 HD2 TYR 71 HD2 TYR 71 15.701 -4.238 -9.343 578 HE1 TYR 71 HE1 TYR 71 15.511 -0.543 -6.039 579 HE2 TYR 71 HE2 TYR 71 14.921 -4.678 -7.026 580 HH TYR 71 HH TYR 71 14.558 -2.040 -4.683 581 H LEU 72 H LEU 72 14.436 -0.076 -11.046 582 HA LEU 72 HA LEU 72 12.493 -0.643 -9.162 583 1HB LEU 72 2HB LEU 72 12.131 1.394 -11.342 584 2HB LEU 72 1HB LEU 72 11.494 1.441 -9.697 585 HG LEU 72 HG LEU 72 14.350 1.767 -10.598 586 1HD1 LEU 72 1HD1 LEU 72 12.950 3.760 -10.533 587 2HD1 LEU 72 2HD1 LEU 72 14.100 3.805 -9.198 588 3HD1 LEU 72 3HD1 LEU 72 12.420 3.365 -8.898 589 1HD2 LEU 72 1HD2 LEU 72 14.012 0.153 -8.586 590 2HD2 LEU 72 2HD2 LEU 72 13.473 1.588 -7.723 591 3HD2 LEU 72 3HD2 LEU 72 15.102 1.515 -8.372 592 H ARG 73 H ARG 73 11.982 -0.361 -12.653 593 HA ARG 73 HA ARG 73 9.251 -1.376 -12.431 594 1HB ARG 73 2HB ARG 73 9.977 0.053 -14.329 595 2HB ARG 73 1HB ARG 73 11.071 -1.222 -14.868 596 1HG ARG 73 2HG ARG 73 9.241 -2.716 -15.314 597 2HG ARG 73 1HG ARG 73 8.089 -1.630 -14.536 598 1HD ARG 73 2HD ARG 73 8.032 -1.490 -17.036 599 2HD ARG 73 1HD ARG 73 8.428 0.046 -16.265 600 HE ARG 73 HE ARG 73 10.903 -1.085 -16.750 601 1HH1 ARG 73 2HH1 ARG 73 8.482 -1.814 -18.889 602 2HH1 ARG 73 1HH1 ARG 73 9.154 -0.969 -20.244 603 1HH2 ARG 73 1HH2 ARG 73 11.619 0.603 -18.379 604 2HH2 ARG 73 2HH2 ARG 73 10.932 0.398 -19.956 605 H GLN 74 H GLN 74 12.277 -2.862 -12.297 606 HA GLN 74 HA GLN 74 11.196 -5.456 -13.222 607 1HB GLN 74 2HB GLN 74 13.586 -4.578 -13.836 608 2HB GLN 74 1HB GLN 74 14.000 -5.006 -12.178 609 1HG GLN 74 2HG GLN 74 14.531 -6.914 -13.544 610 2HG GLN 74 1HG GLN 74 13.073 -7.315 -12.637 611 1HE2 GLN 74 1HE2 GLN 74 13.410 -8.790 -14.917 612 2HE2 GLN 74 2HE2 GLN 74 12.374 -8.260 -16.152 613 H ALA 75 H ALA 75 11.337 -3.555 -10.563 614 HA ALA 75 HA ALA 75 11.656 -5.728 -8.577 615 1HB ALA 75 1HB ALA 75 10.964 -3.168 -7.441 616 2HB ALA 75 2HB ALA 75 12.228 -2.925 -8.646 617 3HB ALA 75 3HB ALA 75 12.493 -4.040 -7.304 618 H PHE 76 H PHE 76 9.439 -3.054 -9.293 619 HA PHE 76 HA PHE 76 7.218 -4.528 -8.016 620 1HB PHE 76 2HB PHE 76 6.378 -2.465 -7.502 621 2HB PHE 76 1HB PHE 76 8.007 -1.916 -7.843 622 HD1 PHE 76 HD1 PHE 76 4.846 -0.920 -8.307 623 HD2 PHE 76 HD2 PHE 76 8.247 -1.946 -10.705 624 HE1 PHE 76 HE1 PHE 76 3.969 0.486 -10.126 625 HE2 PHE 76 HE2 PHE 76 7.371 -0.538 -12.535 626 HZ PHE 76 HZ PHE 76 5.229 0.679 -12.263 627 H ARG 77 H ARG 77 8.304 -5.352 -10.651 628 HA ARG 77 HA ARG 77 5.747 -5.330 -12.096 629 1HB ARG 77 2HB ARG 77 7.779 -3.420 -12.673 630 2HB ARG 77 1HB ARG 77 7.704 -4.537 -14.026 631 1HG ARG 77 2HG ARG 77 5.475 -2.843 -12.881 632 2HG ARG 77 1HG ARG 77 6.107 -2.836 -14.527 633 1HD ARG 77 2HD ARG 77 5.292 -5.492 -14.023 634 2HD ARG 77 1HD ARG 77 4.001 -4.462 -13.406 635 HE ARG 77 HE ARG 77 4.292 -3.326 -15.789 636 1HH1 ARG 77 2HH1 ARG 77 2.221 -4.678 -16.576 637 2HH1 ARG 77 1HH1 ARG 77 2.715 -6.122 -17.397 638 1HH2 ARG 77 2HH2 ARG 77 4.824 -6.897 -17.146 639 2HH2 ARG 77 1HH2 ARG 77 5.944 -6.047 -16.135 640 H GLU 78 H GLU 78 9.208 -6.167 -12.198 641 HA GLU 78 HA GLU 78 9.140 -8.109 -14.216 642 1HB GLU 78 2HB GLU 78 11.225 -8.747 -13.463 643 2HB GLU 78 1HB GLU 78 11.082 -7.219 -12.606 644 1HG GLU 78 2HG GLU 78 11.697 -8.637 -10.862 645 2HG GLU 78 1HG GLU 78 9.939 -8.732 -10.751 646 H LEU 79 H LEU 79 7.667 -8.186 -11.090 647 HA LEU 79 HA LEU 79 7.275 -11.123 -11.230 648 1HB LEU 79 2HB LEU 79 6.454 -9.134 -9.096 649 2HB LEU 79 1HB LEU 79 6.324 -10.889 -8.976 650 HG LEU 79 HG LEU 79 8.945 -10.622 -9.672 651 1HD1 LEU 79 1HD1 LEU 79 9.932 -8.725 -8.759 652 2HD1 LEU 79 2HD1 LEU 79 8.596 -8.443 -7.644 653 3HD1 LEU 79 3HD1 LEU 79 8.414 -8.052 -9.353 654 1HD2 LEU 79 1HD2 LEU 79 7.717 -10.548 -6.899 655 2HD2 LEU 79 2HD2 LEU 79 9.401 -10.951 -7.232 656 3HD2 LEU 79 3HD2 LEU 79 8.109 -11.991 -7.833 657 H ASP 80 H ASP 80 5.102 -8.360 -10.444 658 HA ASP 80 HA ASP 80 3.256 -8.657 -12.512 659 1HB ASP 80 2HB ASP 80 1.527 -10.101 -11.206 660 2HB ASP 80 1HB ASP 80 2.816 -10.915 -12.101 661 H LEU 81 H LEU 81 3.312 -8.509 -8.954 662 HA LEU 81 HA LEU 81 2.564 -6.770 -7.579 663 1HB LEU 81 2HB LEU 81 1.030 -5.596 -9.883 664 2HB LEU 81 1HB LEU 81 1.622 -4.812 -8.432 665 HG LEU 81 HG LEU 81 3.090 -5.484 -10.941 666 1HD1 LEU 81 1HD1 LEU 81 3.659 -3.240 -9.039 667 2HD1 LEU 81 2HD1 LEU 81 2.190 -3.192 -10.014 668 3HD1 LEU 81 3HD1 LEU 81 3.767 -3.267 -10.799 669 1HD2 LEU 81 1HD2 LEU 81 4.940 -6.273 -9.914 670 2HD2 LEU 81 2HD2 LEU 81 4.126 -6.220 -8.356 671 3HD2 LEU 81 3HD2 LEU 81 4.999 -4.818 -8.936 672 H ASP 82 H ASP 82 1.423 -9.120 -7.399 673 HA ASP 82 HA ASP 82 -1.301 -8.504 -6.737 674 1HB ASP 82 2HB ASP 82 -2.209 -10.376 -8.297 675 2HB ASP 82 1HB ASP 82 -1.906 -8.777 -8.979 676 H VAL 83 H VAL 83 1.186 -10.931 -7.170 677 HA VAL 83 HA VAL 83 0.272 -12.216 -4.676 678 HB VAL 83 HB VAL 83 0.519 -14.501 -5.903 679 1HG1 VAL 83 1HG1 VAL 83 -1.589 -13.741 -4.963 680 2HG1 VAL 83 2HG1 VAL 83 -1.896 -14.381 -6.578 681 3HG1 VAL 83 3HG1 VAL 83 -1.838 -12.638 -6.318 682 1HG2 VAL 83 1HG2 VAL 83 -0.610 -13.290 -8.312 683 2HG2 VAL 83 2HG2 VAL 83 0.670 -14.495 -8.161 684 3HG2 VAL 83 3HG2 VAL 83 1.055 -12.780 -8.033 685 H ASP 84 H ASP 84 2.646 -12.154 -7.313 686 HA ASP 84 HA ASP 84 4.645 -13.719 -5.977 687 1HB ASP 84 2HB ASP 84 4.732 -11.659 -8.173 688 2HB ASP 84 1HB ASP 84 6.215 -12.354 -7.524 689 H ILE 85 H ILE 85 3.758 -10.334 -5.828 690 HA ILE 85 HA ILE 85 6.071 -9.783 -4.042 691 HB ILE 85 HB ILE 85 4.602 -7.426 -4.236 692 1HG1 ILE 85 2HG1 ILE 85 3.246 -8.585 -6.040 693 2HG1 ILE 85 1HG1 ILE 85 4.056 -7.115 -6.562 694 1HG2 ILE 85 1HG2 ILE 85 6.524 -7.358 -6.283 695 2HG2 ILE 85 2HG2 ILE 85 7.139 -8.521 -5.108 696 3HG2 ILE 85 3HG2 ILE 85 6.751 -6.877 -4.601 697 1HD1 ILE 85 1HD1 ILE 85 5.023 -8.303 -8.209 698 2HD1 ILE 85 2HD1 ILE 85 4.387 -9.810 -7.551 699 3HD1 ILE 85 3HD1 ILE 85 5.928 -9.176 -6.972 700 H SER 86 H SER 86 3.223 -11.152 -3.631 701 HA SER 86 HA SER 86 2.075 -9.560 -1.473 702 1HB SER 86 2HB SER 86 0.561 -11.442 -1.173 703 2HB SER 86 1HB SER 86 0.746 -11.141 -2.899 704 HG SER 86 HG SER 86 1.198 -13.221 -2.857 705 H THR 87 H THR 87 1.601 -11.786 0.373 706 HA THR 87 HA THR 87 4.294 -11.844 1.649 707 HB THR 87 HB THR 87 3.017 -12.484 3.702 708 HG1 THR 87 HG1 THR 87 1.011 -13.025 3.507 709 1HG2 THR 87 1HG2 THR 87 2.214 -10.296 4.153 710 2HG2 THR 87 2HG2 THR 87 1.802 -10.015 2.461 711 3HG2 THR 87 3HG2 THR 87 3.493 -10.073 2.960 712 H LEU 88 H LEU 88 2.492 -13.656 -0.366 713 HA LEU 88 HA LEU 88 3.289 -16.238 0.874 714 1HB LEU 88 2HB LEU 88 1.493 -16.481 -1.382 715 2HB LEU 88 1HB LEU 88 1.265 -17.013 0.276 716 HG LEU 88 HG LEU 88 0.787 -14.180 -0.671 717 1HD1 LEU 88 1HD1 LEU 88 -1.519 -15.739 0.219 718 2HD1 LEU 88 2HD1 LEU 88 -0.762 -16.418 -1.223 719 3HD1 LEU 88 3HD1 LEU 88 -1.325 -14.747 -1.226 720 1HD2 LEU 88 1HD2 LEU 88 1.381 -14.849 1.817 721 2HD2 LEU 88 2HD2 LEU 88 -0.288 -15.419 1.845 722 3HD2 LEU 88 3HD2 LEU 88 0.059 -13.725 1.501 723 H LEU 89 H LEU 89 5.071 -17.122 -0.074 724 HA LEU 89 HA LEU 89 5.405 -16.731 -3.017 725 1HB LEU 89 2HB LEU 89 7.599 -16.620 -0.923 726 2HB LEU 89 1HB LEU 89 7.845 -16.534 -2.668 727 HG LEU 89 HG LEU 89 5.842 -14.619 -1.935 728 1HD1 LEU 89 1HD1 LEU 89 6.650 -14.434 0.273 729 2HD1 LEU 89 2HD1 LEU 89 7.515 -13.160 -0.588 730 3HD1 LEU 89 3HD1 LEU 89 8.324 -14.684 -0.225 731 1HD2 LEU 89 1HD2 LEU 89 8.435 -13.498 -2.575 732 2HD2 LEU 89 2HD2 LEU 89 6.969 -13.534 -3.555 733 3HD2 LEU 89 3HD2 LEU 89 8.096 -14.888 -3.607 734 H ARG 90 H ARG 90 7.200 -18.495 -0.479 735 HA ARG 90 HA ARG 90 7.318 -20.866 -2.189 736 1HB ARG 90 2HB ARG 90 8.982 -19.895 -0.285 737 2HB ARG 90 1HB ARG 90 8.077 -21.065 0.675 738 1HG ARG 90 2HG ARG 90 9.052 -22.830 -0.360 739 2HG ARG 90 1HG ARG 90 8.875 -22.098 -1.955 740 1HD ARG 90 2HD ARG 90 10.871 -20.839 -0.147 741 2HD ARG 90 1HD ARG 90 11.277 -22.441 -0.763 742 HE ARG 90 HE ARG 90 10.356 -20.762 -2.911 743 1HH1 ARG 90 2HH1 ARG 90 13.017 -22.238 -1.468 744 2HH1 ARG 90 1HH1 ARG 90 14.206 -21.249 -2.251 745 1HH2 ARG 90 1HH2 ARG 90 11.882 -19.084 -3.636 746 2HH2 ARG 90 2HH2 ARG 90 13.563 -19.466 -3.477 747 H ASN 91 HN ASN 91 7.033 -22.910 -0.248 748 HA ASN 91 HA ASN 91 4.090 -23.004 -0.091 749 1HB ASN 91 2HB ASN 91 4.511 -25.360 0.698 750 2HB ASN 91 1HB ASN 91 5.197 -25.007 -0.889 751 1HD2 ASN 91 1HD2 ASN 91 5.967 -25.917 2.386 752 2HD2 ASN 91 2HD2 ASN 91 7.652 -25.971 2.191 Start of MODEL 10 1 1H GLY 1 1H GLY 1 -15.947 3.643 4.718 2 2H GLY 1 2H GLY 1 -16.349 4.466 3.288 3 3H GLY 1 3H GLY 1 -17.471 4.372 4.559 4 1HA GLY 1 1HA GLY 1 -16.300 5.942 5.780 5 2HA GLY 1 2HA GLY 1 -14.743 5.631 4.955 6 H SER 2 H SER 2 -14.756 7.806 3.986 7 HA SER 2 HA SER 2 -17.043 9.596 4.358 8 1HB SER 2 2HB SER 2 -14.269 9.927 4.121 9 2HB SER 2 1HB SER 2 -14.931 10.644 2.655 10 HG SER 2 HG SER 2 -15.520 11.246 5.357 11 H ARG 3 H ARG 3 -17.649 11.021 2.375 12 HA ARG 3 HA ARG 3 -18.458 9.186 0.220 13 1HB ARG 3 2HB ARG 3 -19.156 11.993 1.028 14 2HB ARG 3 1HB ARG 3 -19.517 11.453 -0.611 15 1HG ARG 3 2HG ARG 3 -20.563 9.370 0.582 16 2HG ARG 3 1HG ARG 3 -20.603 10.423 1.997 17 1HD ARG 3 2HD ARG 3 -22.340 11.610 1.179 18 2HD ARG 3 1HD ARG 3 -21.572 11.778 -0.400 19 HE ARG 3 HE ARG 3 -22.436 9.159 -0.401 20 1HH1 ARG 3 2HH1 ARG 3 -24.202 11.404 1.314 21 2HH1 ARG 3 1HH1 ARG 3 -25.634 11.297 0.346 22 1HH2 ARG 3 1HH2 ARG 3 -24.145 9.357 -2.114 23 2HH2 ARG 3 2HH2 ARG 3 -25.602 10.138 -1.597 24 H ILE 4 H ILE 4 -15.783 9.300 0.044 25 HA ILE 4 HA ILE 4 -15.167 11.373 -2.015 26 HB ILE 4 HB ILE 4 -12.784 10.790 -1.558 27 1HG1 ILE 4 2HG1 ILE 4 -13.069 9.470 0.937 28 2HG1 ILE 4 1HG1 ILE 4 -14.056 8.576 -0.221 29 1HG2 ILE 4 1HG2 ILE 4 -12.789 11.676 0.831 30 2HG2 ILE 4 2HG2 ILE 4 -14.550 11.606 0.759 31 3HG2 ILE 4 3HG2 ILE 4 -13.664 12.658 -0.345 32 1HD1 ILE 4 1HD1 ILE 4 -12.214 8.172 -1.653 33 2HD1 ILE 4 2HD1 ILE 4 -11.568 7.912 -0.033 34 3HD1 ILE 4 3HD1 ILE 4 -11.235 9.421 -0.884 35 H ALA 5 H ALA 5 -14.750 10.729 -4.094 36 HA ALA 5 HA ALA 5 -15.041 7.847 -4.699 37 1HB ALA 5 1HB ALA 5 -14.925 8.779 -7.116 38 2HB ALA 5 2HB ALA 5 -15.062 10.367 -6.361 39 3HB ALA 5 3HB ALA 5 -16.349 9.177 -6.154 40 H LYS 6 H LYS 6 -12.662 10.449 -4.912 41 HA LYS 6 HA LYS 6 -10.699 8.724 -6.256 42 1HB LYS 6 2HB LYS 6 -10.712 11.555 -5.224 43 2HB LYS 6 1HB LYS 6 -9.193 10.773 -5.659 44 1HG LYS 6 2HG LYS 6 -9.860 10.477 -7.915 45 2HG LYS 6 1HG LYS 6 -11.553 10.800 -7.541 46 1HD LYS 6 2HD LYS 6 -9.825 13.012 -6.747 47 2HD LYS 6 1HD LYS 6 -9.698 12.664 -8.471 48 1HE LYS 6 2HE LYS 6 -12.450 12.486 -7.800 49 2HE LYS 6 1HE LYS 6 -11.839 13.968 -7.065 50 1HZ LYS 6 1HZ LYS 6 -11.379 14.882 -9.062 51 2HZ LYS 6 2HZ LYS 6 -12.617 13.840 -9.580 52 3HZ LYS 6 3HZ LYS 6 -10.988 13.402 -9.793 53 H ARG 7 H ARG 7 -8.348 9.290 -4.906 54 HA ARG 7 HA ARG 7 -8.691 7.627 -2.499 55 1HB ARG 7 2HB ARG 7 -6.723 7.750 -4.398 56 2HB ARG 7 1HB ARG 7 -6.013 8.713 -3.103 57 1HG ARG 7 2HG ARG 7 -5.381 6.711 -2.236 58 2HG ARG 7 1HG ARG 7 -7.060 6.592 -1.707 59 1HD ARG 7 2HD ARG 7 -6.163 5.651 -4.437 60 2HD ARG 7 1HD ARG 7 -6.151 4.594 -3.026 61 HE ARG 7 HE ARG 7 -8.458 5.169 -4.549 62 1HH1 ARG 7 2HH1 ARG 7 -7.370 4.291 -1.466 63 2HH1 ARG 7 1HH1 ARG 7 -8.920 4.413 -0.705 64 1HH2 ARG 7 1HH2 ARG 7 -10.478 5.759 -3.496 65 2HH2 ARG 7 2HH2 ARG 7 -10.679 5.244 -1.855 66 H THR 8 H THR 8 -6.278 8.867 -1.236 67 HA THR 8 HA THR 8 -7.708 11.158 0.027 68 HB THR 8 HB THR 8 -5.448 9.392 1.005 69 HG1 THR 8 HG1 THR 8 -7.207 8.336 1.511 70 1HG2 THR 8 1HG2 THR 8 -4.984 11.593 1.835 71 2HG2 THR 8 2HG2 THR 8 -5.762 10.710 3.149 72 3HG2 THR 8 3HG2 THR 8 -6.685 11.879 2.204 73 H ALA 9 H ALA 9 -4.223 10.486 -0.039 74 HA ALA 9 HA ALA 9 -3.713 13.292 -0.719 75 1HB ALA 9 1HB ALA 9 -1.914 12.801 0.548 76 2HB ALA 9 2HB ALA 9 -1.287 11.904 -0.835 77 3HB ALA 9 3HB ALA 9 -2.214 11.069 0.412 78 H ILE 10 H ILE 10 -1.489 13.172 -2.319 79 HA ILE 10 HA ILE 10 -2.697 12.437 -4.911 80 HB ILE 10 HB ILE 10 -0.209 13.992 -4.163 81 1HG1 ILE 10 2HG1 ILE 10 -2.104 15.384 -5.803 82 2HG1 ILE 10 1HG1 ILE 10 -2.969 14.661 -4.446 83 1HG2 ILE 10 1HG2 ILE 10 -1.268 13.072 -6.832 84 2HG2 ILE 10 2HG2 ILE 10 0.382 12.993 -6.216 85 3HG2 ILE 10 3HG2 ILE 10 -0.306 14.544 -6.696 86 1HD1 ILE 10 1HD1 ILE 10 -2.228 16.795 -3.671 87 2HD1 ILE 10 2HD1 ILE 10 -0.614 16.557 -4.343 88 3HD1 ILE 10 3HD1 ILE 10 -1.136 15.617 -2.944 89 H ASN 11 H ASN 11 0.731 12.246 -3.951 90 HA ASN 11 HA ASN 11 2.206 10.394 -3.998 91 1HB ASN 11 2HB ASN 11 0.093 9.095 -3.223 92 2HB ASN 11 1HB ASN 11 -0.074 8.644 -4.916 93 1HD2 ASN 11 1HD2 ASN 11 2.868 9.005 -2.858 94 2HD2 ASN 11 2HD2 ASN 11 3.435 7.430 -3.141 95 H LYS 12 H LYS 12 2.952 8.742 -5.792 96 HA LYS 12 HA LYS 12 3.409 10.105 -8.190 97 1HB LYS 12 2HB LYS 12 3.875 7.845 -9.180 98 2HB LYS 12 1HB LYS 12 4.662 8.101 -7.622 99 1HG LYS 12 2HG LYS 12 2.275 7.069 -6.813 100 2HG LYS 12 1HG LYS 12 2.495 6.228 -8.349 101 1HD LYS 12 2HD LYS 12 3.824 4.806 -7.190 102 2HD LYS 12 1HD LYS 12 5.018 6.105 -7.228 103 1HE LYS 12 2HE LYS 12 3.529 6.920 -5.122 104 2HE LYS 12 1HE LYS 12 3.305 5.177 -4.987 105 1HZ LYS 12 1HZ LYS 12 5.329 5.012 -4.146 106 2HZ LYS 12 2HZ LYS 12 5.542 6.693 -4.272 107 3HZ LYS 12 3HZ LYS 12 5.997 5.677 -5.556 108 H THR 13 H THR 13 1.499 11.083 -8.988 109 HA THR 13 HA THR 13 -1.060 10.114 -9.255 110 HB THR 13 HB THR 13 -0.929 11.366 -11.612 111 HG1 THR 13 HG1 THR 13 1.148 11.717 -11.906 112 1HG2 THR 13 1HG2 THR 13 -1.148 12.194 -8.818 113 2HG2 THR 13 2HG2 THR 13 -2.109 12.688 -10.212 114 3HG2 THR 13 3HG2 THR 13 -0.579 13.496 -9.863 115 H LYS 14 H LYS 14 -2.232 8.964 -10.893 116 HA LYS 14 HA LYS 14 -1.208 6.523 -11.753 117 1HB LYS 14 2HB LYS 14 -3.407 8.277 -12.831 118 2HB LYS 14 1HB LYS 14 -2.994 6.767 -13.646 119 1HG LYS 14 2HG LYS 14 -3.909 5.495 -12.006 120 2HG LYS 14 1HG LYS 14 -3.250 6.513 -10.725 121 1HD LYS 14 2HD LYS 14 -5.726 6.599 -10.768 122 2HD LYS 14 1HD LYS 14 -5.016 8.177 -11.113 123 1HE LYS 14 2HE LYS 14 -5.285 7.742 -13.545 124 2HE LYS 14 1HE LYS 14 -6.056 6.202 -13.167 125 1HZ LYS 14 1HZ LYS 14 -7.068 8.922 -12.817 126 2HZ LYS 14 2HZ LYS 14 -7.536 7.753 -11.676 127 3HZ LYS 14 3HZ LYS 14 -7.879 7.524 -13.324 128 H LYS 15 H LYS 15 -1.343 9.566 -13.629 129 HA LYS 15 HA LYS 15 -0.019 8.510 -15.941 130 1HB LYS 15 2HB LYS 15 -1.278 10.781 -15.618 131 2HB LYS 15 1HB LYS 15 0.286 11.375 -15.057 132 1HG LYS 15 2HG LYS 15 0.535 9.802 -17.501 133 2HG LYS 15 1HG LYS 15 -0.535 11.189 -17.715 134 1HD LYS 15 2HD LYS 15 1.146 12.710 -17.390 135 2HD LYS 15 1HD LYS 15 1.983 11.691 -16.219 136 1HE LYS 15 2HE LYS 15 2.266 10.182 -18.461 137 2HE LYS 15 1HE LYS 15 2.258 11.798 -19.168 138 1HZ LYS 15 1HZ LYS 15 4.169 10.588 -17.313 139 2HZ LYS 15 2HZ LYS 15 3.883 12.258 -17.180 140 3HZ LYS 15 3HZ LYS 15 4.446 11.602 -18.642 141 H ALA 16 H ALA 16 1.142 10.001 -12.950 142 HA ALA 16 HA ALA 16 3.949 9.688 -13.835 143 1HB ALA 16 1HB ALA 16 3.249 11.741 -12.594 144 2HB ALA 16 2HB ALA 16 4.519 10.847 -11.757 145 3HB ALA 16 3HB ALA 16 2.848 10.730 -11.206 146 H ASP 17 H ASP 17 2.059 7.417 -13.260 147 HA ASP 17 HA ASP 17 3.050 6.176 -10.803 148 1HB ASP 17 2HB ASP 17 0.827 5.582 -11.437 149 2HB ASP 17 1HB ASP 17 1.316 5.232 -13.095 150 H VAL 18 H VAL 18 3.630 5.874 -14.290 151 HA VAL 18 HA VAL 18 5.617 3.746 -13.871 152 HB VAL 18 HB VAL 18 5.473 5.186 -16.474 153 1HG1 VAL 18 1HG1 VAL 18 6.334 2.679 -15.438 154 2HG1 VAL 18 2HG1 VAL 18 6.435 3.254 -17.101 155 3HG1 VAL 18 3HG1 VAL 18 5.016 2.356 -16.564 156 1HG2 VAL 18 1HG2 VAL 18 3.378 3.815 -17.016 157 2HG2 VAL 18 2HG2 VAL 18 3.129 5.232 -15.995 158 3HG2 VAL 18 3HG2 VAL 18 3.175 3.622 -15.275 159 H LYS 19 H LYS 19 5.524 7.159 -13.834 160 HA LYS 19 HA LYS 19 8.389 7.437 -14.533 161 1HB LYS 19 2HB LYS 19 8.029 9.794 -14.480 162 2HB LYS 19 1HB LYS 19 6.577 9.121 -15.223 163 1HG LYS 19 2HG LYS 19 5.604 10.515 -13.653 164 2HG LYS 19 1HG LYS 19 5.745 9.039 -12.698 165 1HD LYS 19 2HD LYS 19 6.867 10.324 -11.208 166 2HD LYS 19 1HD LYS 19 8.215 10.213 -12.340 167 1HE LYS 19 2HE LYS 19 7.180 12.244 -13.522 168 2HE LYS 19 1HE LYS 19 6.177 12.427 -12.083 169 1HZ LYS 19 1HZ LYS 19 9.092 12.693 -12.360 170 2HZ LYS 19 2HZ LYS 19 8.431 12.246 -10.860 171 3HZ LYS 19 3HZ LYS 19 7.991 13.722 -11.580 172 H ALA 20 H ALA 20 6.247 7.482 -11.752 173 HA ALA 20 HA ALA 20 8.299 8.389 -9.873 174 1HB ALA 20 1HB ALA 20 5.721 8.562 -9.621 175 2HB ALA 20 2HB ALA 20 6.656 8.095 -8.201 176 3HB ALA 20 3HB ALA 20 5.800 6.869 -9.136 177 H ILE 21 H ILE 21 7.203 5.343 -11.191 178 HA ILE 21 HA ILE 21 8.481 3.722 -9.148 179 HB ILE 21 HB ILE 21 7.538 3.091 -11.960 180 1HG1 ILE 21 2HG1 ILE 21 5.514 2.645 -11.054 181 2HG1 ILE 21 1HG1 ILE 21 6.231 1.700 -9.758 182 1HG2 ILE 21 1HG2 ILE 21 8.527 1.082 -11.821 183 2HG2 ILE 21 2HG2 ILE 21 7.848 0.810 -10.218 184 3HG2 ILE 21 3HG2 ILE 21 9.380 1.657 -10.390 185 1HD1 ILE 21 1HD1 ILE 21 5.851 4.710 -9.814 186 2HD1 ILE 21 2HD1 ILE 21 6.737 3.851 -8.555 187 3HD1 ILE 21 3HD1 ILE 21 5.014 3.555 -8.777 188 H ALA 22 H ALA 22 9.487 5.203 -12.175 189 HA ALA 22 HA ALA 22 12.007 3.683 -12.213 190 1HB ALA 22 1HB ALA 22 10.542 5.450 -14.039 191 2HB ALA 22 2HB ALA 22 11.650 4.127 -14.403 192 3HB ALA 22 3HB ALA 22 12.283 5.733 -14.046 193 H ASP 23 H ASP 23 10.943 6.979 -11.409 194 HA ASP 23 HA ASP 23 13.746 7.725 -10.800 195 1HB ASP 23 2HB ASP 23 12.027 9.251 -11.997 196 2HB ASP 23 1HB ASP 23 11.329 9.487 -10.396 197 H ALA 24 H ALA 24 11.084 6.408 -9.127 198 HA ALA 24 HA ALA 24 11.943 7.633 -6.569 199 1HB ALA 24 1HB ALA 24 9.728 5.617 -7.004 200 2HB ALA 24 2HB ALA 24 9.498 7.363 -7.085 201 3HB ALA 24 3HB ALA 24 10.001 6.608 -5.573 202 H TRP 25 H TRP 25 12.006 5.952 -4.693 203 HA TRP 25 HA TRP 25 13.196 4.269 -3.659 204 1HB TRP 25 2HB TRP 25 13.546 2.397 -5.824 205 2HB TRP 25 1HB TRP 25 12.729 2.184 -4.299 206 HD1 TRP 25 HD1 TRP 25 10.499 4.637 -5.495 207 HE1 TRP 25 HE1 TRP 25 8.669 3.711 -7.000 208 HE3 TRP 25 HE3 TRP 25 12.442 0.037 -6.603 209 HZ2 TRP 25 HZ2 TRP 25 8.066 1.353 -8.456 210 HZ3 TRP 25 HZ3 TRP 25 11.174 -1.521 -8.030 211 HH2 TRP 25 HH2 TRP 25 9.000 -0.856 -8.970 212 H GLN 26 H GLN 26 15.142 2.500 -4.835 213 HA GLN 26 HA GLN 26 17.344 4.377 -5.001 214 1HB GLN 26 2HB GLN 26 17.356 2.018 -3.993 215 2HB GLN 26 1HB GLN 26 17.493 1.437 -5.653 216 1HG GLN 26 2HG GLN 26 19.708 1.813 -5.564 217 2HG GLN 26 1HG GLN 26 19.377 3.536 -5.382 218 1HE2 GLN 26 1HE2 GLN 26 20.147 4.438 -3.470 219 2HE2 GLN 26 2HE2 GLN 26 20.479 3.573 -2.048 220 H ILE 27 H ILE 27 16.506 5.527 -7.051 221 HA ILE 27 HA ILE 27 17.096 3.958 -9.513 222 HB ILE 27 HB ILE 27 15.563 5.252 -10.569 223 1HG1 ILE 27 2HG1 ILE 27 17.278 7.111 -10.668 224 2HG1 ILE 27 1HG1 ILE 27 15.606 7.668 -10.643 225 1HG2 ILE 27 1HG2 ILE 27 14.851 5.145 -7.922 226 2HG2 ILE 27 2HG2 ILE 27 13.821 5.731 -9.217 227 3HG2 ILE 27 3HG2 ILE 27 14.756 6.865 -8.256 228 1HD1 ILE 27 1HD1 ILE 27 17.598 8.525 -8.923 229 2HD1 ILE 27 2HD1 ILE 27 16.733 7.330 -7.959 230 3HD1 ILE 27 3HD1 ILE 27 15.867 8.701 -8.649 231 H ASN 28 H ASN 28 18.316 6.488 -7.493 232 HA ASN 28 HA ASN 28 20.895 6.442 -8.820 233 1HB ASN 28 2HB ASN 28 19.505 7.966 -10.302 234 2HB ASN 28 1HB ASN 28 19.371 9.056 -8.922 235 1HD2 ASN 28 1HD2 ASN 28 21.667 9.545 -7.871 236 2HD2 ASN 28 2HD2 ASN 28 22.916 9.865 -8.975 237 H GLY 29 H GLY 29 18.682 8.000 -6.557 238 1HA GLY 29 2HA GLY 29 19.280 8.138 -4.183 239 2HA GLY 29 1HA GLY 29 20.964 8.282 -4.670 240 H GLU 30 H GLU 30 19.956 10.139 -6.891 241 HA GLU 30 HA GLU 30 19.721 12.569 -5.169 242 1HB GLU 30 2HB GLU 30 21.801 12.703 -6.325 243 2HB GLU 30 1HB GLU 30 21.094 12.100 -7.823 244 1HG GLU 30 2HG GLU 30 20.387 14.160 -8.441 245 2HG GLU 30 1HG GLU 30 19.782 14.527 -6.825 246 H LYS 31 H LYS 31 18.473 10.761 -7.865 247 HA LYS 31 HA LYS 31 16.552 12.888 -8.586 248 1HB LYS 31 2HB LYS 31 17.445 10.297 -9.761 249 2HB LYS 31 1HB LYS 31 15.793 10.804 -10.107 250 1HG LYS 31 2HG LYS 31 16.830 11.941 -11.811 251 2HG LYS 31 1HG LYS 31 17.059 13.145 -10.542 252 1HD LYS 31 2HD LYS 31 19.262 11.990 -10.004 253 2HD LYS 31 1HD LYS 31 19.044 11.069 -11.493 254 1HE LYS 31 2HE LYS 31 18.769 13.316 -12.679 255 2HE LYS 31 1HE LYS 31 19.357 14.062 -11.193 256 1HZ LYS 31 1HZ LYS 31 20.821 12.740 -13.232 257 2HZ LYS 31 2HZ LYS 31 21.093 11.994 -11.730 258 3HZ LYS 31 3HZ LYS 31 21.393 13.655 -11.923 259 H GLU 32 H GLU 32 16.583 9.678 -7.035 260 HA GLU 32 HA GLU 32 13.681 9.635 -6.798 261 1HB GLU 32 2HB GLU 32 13.900 7.566 -5.762 262 2HB GLU 32 1HB GLU 32 15.360 7.603 -6.738 263 1HG GLU 32 2HG GLU 32 15.036 7.863 -3.775 264 2HG GLU 32 1HG GLU 32 16.224 6.944 -4.678 265 H LEU 33 H LEU 33 16.062 11.381 -5.212 266 HA LEU 33 HA LEU 33 14.730 11.472 -2.602 267 1HB LEU 33 2HB LEU 33 16.426 13.017 -1.965 268 2HB LEU 33 1HB LEU 33 17.241 11.879 -3.038 269 HG LEU 33 HG LEU 33 16.562 13.584 -4.918 270 1HD1 LEU 33 1HD1 LEU 33 15.553 14.876 -2.608 271 2HD1 LEU 33 2HD1 LEU 33 15.641 15.526 -4.245 272 3HD1 LEU 33 3HD1 LEU 33 16.968 15.799 -3.117 273 1HD2 LEU 33 1HD2 LEU 33 18.865 13.096 -3.498 274 2HD2 LEU 33 2HD2 LEU 33 18.648 14.827 -3.242 275 3HD2 LEU 33 3HD2 LEU 33 18.759 14.186 -4.881 276 H GLU 34 H GLU 34 14.816 13.317 -5.591 277 HA GLU 34 HA GLU 34 13.391 15.613 -4.668 278 1HB GLU 34 2HB GLU 34 14.724 15.228 -6.866 279 2HB GLU 34 1HB GLU 34 13.218 14.544 -7.480 280 1HG GLU 34 2HG GLU 34 12.025 16.600 -6.965 281 2HG GLU 34 1HG GLU 34 13.469 17.265 -6.206 282 H LEU 35 H LEU 35 12.183 12.797 -6.589 283 HA LEU 35 HA LEU 35 9.494 13.476 -6.585 284 1HB LEU 35 2HB LEU 35 10.589 11.406 -7.651 285 2HB LEU 35 1HB LEU 35 10.431 10.642 -6.075 286 HG LEU 35 HG LEU 35 8.514 10.468 -7.979 287 1HD1 LEU 35 1HD1 LEU 35 7.854 10.762 -5.038 288 2HD1 LEU 35 2HD1 LEU 35 8.630 9.335 -5.723 289 3HD1 LEU 35 3HD1 LEU 35 7.000 9.782 -6.228 290 1HD2 LEU 35 1HD2 LEU 35 6.669 12.017 -7.373 291 2HD2 LEU 35 2HD2 LEU 35 8.066 12.889 -8.002 292 3HD2 LEU 35 3HD2 LEU 35 7.757 12.857 -6.269 293 H LEU 36 H LEU 36 11.093 11.437 -4.111 294 HA LEU 36 HA LEU 36 8.844 11.401 -2.375 295 1HB LEU 36 2HB LEU 36 11.081 9.989 -2.377 296 2HB LEU 36 1HB LEU 36 11.643 11.271 -1.300 297 HG LEU 36 HG LEU 36 10.591 9.340 -0.088 298 1HD1 LEU 36 1HD1 LEU 36 9.717 10.771 1.501 299 2HD1 LEU 36 2HD1 LEU 36 8.744 11.640 0.324 300 3HD1 LEU 36 3HD1 LEU 36 10.462 11.984 0.461 301 1HD2 LEU 36 1HD2 LEU 36 8.841 9.228 -2.087 302 2HD2 LEU 36 2HD2 LEU 36 7.942 10.345 -1.064 303 3HD2 LEU 36 3HD2 LEU 36 8.370 8.746 -0.457 304 H GLN 37 H GLN 37 11.326 13.770 -2.943 305 HA GLN 37 HA GLN 37 11.243 15.201 -0.516 306 1HB GLN 37 2HB GLN 37 12.656 15.638 -2.664 307 2HB GLN 37 1HB GLN 37 11.279 16.612 -3.182 308 1HG GLN 37 2HG GLN 37 11.658 18.235 -1.614 309 2HG GLN 37 1HG GLN 37 12.242 17.081 -0.413 310 1HE2 GLN 37 1HE2 GLN 37 13.511 17.227 -3.729 311 2HE2 GLN 37 2HE2 GLN 37 15.057 17.777 -3.296 312 H GLN 38 H GLN 38 8.800 14.688 -2.844 313 HA GLN 38 HA GLN 38 6.995 16.459 -1.309 314 1HB GLN 38 2HB GLN 38 7.741 16.731 -4.178 315 2HB GLN 38 1HB GLN 38 6.029 16.905 -3.792 316 1HG GLN 38 2HG GLN 38 6.463 18.700 -2.265 317 2HG GLN 38 1HG GLN 38 8.201 18.400 -2.307 318 1HE2 GLN 38 1HE2 GLN 38 9.410 19.400 -3.979 319 2HE2 GLN 38 2HE2 GLN 38 8.714 20.329 -5.217 320 H ILE 39 H ILE 39 7.535 13.407 -1.953 321 HA ILE 39 HA ILE 39 4.731 12.872 -2.759 322 HB ILE 39 HB ILE 39 7.205 11.342 -3.413 323 1HG1 ILE 39 2HG1 ILE 39 6.492 13.087 -4.979 324 2HG1 ILE 39 1HG1 ILE 39 6.168 11.505 -5.680 325 1HG2 ILE 39 1HG2 ILE 39 5.919 9.501 -2.879 326 2HG2 ILE 39 2HG2 ILE 39 5.248 9.821 -4.479 327 3HG2 ILE 39 3HG2 ILE 39 4.404 10.388 -3.037 328 1HD1 ILE 39 1HD1 ILE 39 4.308 13.620 -5.081 329 2HD1 ILE 39 2HD1 ILE 39 3.863 12.153 -4.208 330 3HD1 ILE 39 3HD1 ILE 39 4.035 12.118 -5.962 331 H ALA 40 H ALA 40 7.192 12.042 -0.356 332 HA ALA 40 HA ALA 40 5.537 9.849 0.722 333 1HB ALA 40 1HB ALA 40 7.127 9.839 2.620 334 2HB ALA 40 2HB ALA 40 7.906 11.277 1.965 335 3HB ALA 40 3HB ALA 40 7.969 9.757 1.078 336 H GLN 41 H GLN 41 5.447 13.161 0.800 337 HA GLN 41 HA GLN 41 4.152 13.243 3.461 338 1HB GLN 41 2HB GLN 41 4.772 15.614 1.733 339 2HB GLN 41 1HB GLN 41 4.653 15.545 3.494 340 1HG GLN 41 2HG GLN 41 6.758 14.499 3.720 341 2HG GLN 41 1HG GLN 41 6.762 13.936 2.058 342 1HE2 GLN 41 1HE2 GLN 41 8.636 14.942 1.292 343 2HE2 GLN 41 2HE2 GLN 41 8.856 16.619 1.268 344 H LYS 42 H LYS 42 3.496 13.134 0.157 345 HA LYS 42 HA LYS 42 0.654 13.795 0.740 346 1HB LYS 42 2HB LYS 42 0.588 14.841 -1.614 347 2HB LYS 42 1HB LYS 42 1.337 15.786 -0.328 348 1HG LYS 42 2HG LYS 42 3.058 15.971 -1.811 349 2HG LYS 42 1HG LYS 42 3.486 14.368 -1.220 350 1HD LYS 42 2HD LYS 42 3.431 13.983 -3.507 351 2HD LYS 42 1HD LYS 42 1.780 13.569 -3.070 352 1HE LYS 42 2HE LYS 42 1.628 15.019 -4.971 353 2HE LYS 42 1HE LYS 42 1.163 15.985 -3.570 354 1HZ LYS 42 1HZ LYS 42 2.670 17.311 -4.718 355 2HZ LYS 42 2HZ LYS 42 3.711 16.014 -5.067 356 3HZ LYS 42 3HZ LYS 42 3.610 16.626 -3.485 357 HA PRO 43 HA PRO 43 1.455 10.081 -2.168 358 1HB PRO 43 2HB PRO 43 1.510 8.003 -0.372 359 2HB PRO 43 1HB PRO 43 2.965 8.802 -0.994 360 1HG PRO 43 2HG PRO 43 1.636 9.116 1.673 361 2HG PRO 43 1HG PRO 43 3.354 9.214 1.247 362 1HD PRO 43 2HD PRO 43 1.740 11.449 1.699 363 2HD PRO 43 1HD PRO 43 3.232 11.448 0.742 364 H GLY 44 H GLY 44 0.017 8.531 0.627 365 1HA GLY 44 2HA GLY 44 -2.225 7.951 1.084 366 2HA GLY 44 1HA GLY 44 -2.715 9.310 0.065 367 H ALA 45 H ALA 45 -0.486 7.187 -1.385 368 HA ALA 45 HA ALA 45 -2.577 5.521 -2.633 369 1HB ALA 45 1HB ALA 45 -2.450 6.409 -4.738 370 2HB ALA 45 2HB ALA 45 -0.757 6.867 -4.555 371 3HB ALA 45 3HB ALA 45 -2.022 7.866 -3.840 372 H LEU 46 H LEU 46 0.857 6.225 -2.082 373 HA LEU 46 HA LEU 46 2.149 4.297 -3.588 374 1HB LEU 46 2HB LEU 46 3.549 5.562 -2.195 375 2HB LEU 46 1HB LEU 46 2.564 5.264 -0.769 376 HG LEU 46 HG LEU 46 4.858 4.061 -0.974 377 1HD1 LEU 46 1HD1 LEU 46 3.803 3.199 0.822 378 2HD1 LEU 46 2HD1 LEU 46 3.435 1.836 -0.230 379 3HD1 LEU 46 3HD1 LEU 46 2.249 3.121 -0.003 380 1HD2 LEU 46 1HD2 LEU 46 3.718 1.714 -2.188 381 2HD2 LEU 46 2HD2 LEU 46 5.164 2.603 -2.660 382 3HD2 LEU 46 3HD2 LEU 46 3.594 3.060 -3.320 383 H ARG 47 H ARG 47 0.093 3.780 -0.764 384 HA ARG 47 HA ARG 47 0.638 1.100 -0.165 385 1HB ARG 47 2HB ARG 47 -1.568 2.942 0.242 386 2HB ARG 47 1HB ARG 47 -2.150 1.297 -0.020 387 1HG ARG 47 2HG ARG 47 0.193 1.383 1.726 388 2HG ARG 47 1HG ARG 47 -1.166 2.299 2.377 389 1HD ARG 47 2HD ARG 47 -2.441 0.058 1.488 390 2HD ARG 47 1HD ARG 47 -0.882 -0.615 1.961 391 HE ARG 47 HE ARG 47 -2.782 0.769 3.788 392 1HH1 ARG 47 2HH1 ARG 47 -0.384 1.414 5.058 393 2HH1 ARG 47 1HH1 ARG 47 0.120 -0.018 5.894 394 1HH2 ARG 47 2HH2 ARG 47 -0.754 -2.025 5.325 395 2HH2 ARG 47 1HH2 ARG 47 -1.925 -2.131 4.054 396 H ILE 48 H ILE 48 -1.818 2.228 -2.550 397 HA ILE 48 HA ILE 48 -2.612 -0.315 -3.468 398 HB ILE 48 HB ILE 48 -2.265 2.203 -5.126 399 1HG1 ILE 48 2HG1 ILE 48 -4.574 1.152 -3.462 400 2HG1 ILE 48 1HG1 ILE 48 -3.671 2.644 -3.197 401 1HG2 ILE 48 1HG2 ILE 48 -4.462 0.401 -5.787 402 2HG2 ILE 48 2HG2 ILE 48 -2.893 -0.388 -5.946 403 3HG2 ILE 48 3HG2 ILE 48 -3.229 1.094 -6.841 404 1HD1 ILE 48 1HD1 ILE 48 -4.455 2.992 -5.781 405 2HD1 ILE 48 2HD1 ILE 48 -5.368 3.587 -4.395 406 3HD1 ILE 48 3HD1 ILE 48 -5.814 2.059 -5.153 407 H LEU 49 H LEU 49 -0.236 1.751 -5.183 408 HA LEU 49 HA LEU 49 0.758 -0.500 -6.700 409 1HB LEU 49 2HB LEU 49 2.459 1.930 -6.270 410 2HB LEU 49 1HB LEU 49 2.158 1.025 -7.752 411 HG LEU 49 HG LEU 49 -0.358 1.959 -7.105 412 1HD1 LEU 49 1HD1 LEU 49 0.642 4.550 -6.999 413 2HD1 LEU 49 2HD1 LEU 49 1.664 3.670 -5.862 414 3HD1 LEU 49 3HD1 LEU 49 -0.087 3.672 -5.654 415 1HD2 LEU 49 1HD2 LEU 49 -0.147 3.220 -9.093 416 2HD2 LEU 49 2HD2 LEU 49 1.033 1.925 -9.297 417 3HD2 LEU 49 3HD2 LEU 49 1.566 3.535 -8.814 418 H ASN 50 H ASN 50 1.119 0.276 -3.470 419 HA ASN 50 HA ASN 50 3.903 -0.306 -3.035 420 1HB ASN 50 2HB ASN 50 2.438 0.717 -1.280 421 2HB ASN 50 1HB ASN 50 1.581 -0.811 -1.145 422 1HD2 ASN 50 1HD2 ASN 50 5.108 -0.440 -1.625 423 2HD2 ASN 50 2HD2 ASN 50 5.541 -1.143 -0.142 424 H HIS 51 H HIS 51 1.044 -2.242 -3.517 425 HA HIS 51 HA HIS 51 1.701 -4.728 -2.520 426 1HB HIS 51 2HB HIS 51 -0.331 -4.288 -3.859 427 2HB HIS 51 1HB HIS 51 0.656 -4.131 -5.313 428 HD1 HIS 51 HD1 HIS 51 0.109 -6.730 -2.566 429 HD2 HIS 51 HD2 HIS 51 0.902 -6.532 -6.652 430 HE1 HIS 51 HE1 HIS 51 0.123 -9.113 -3.407 431 H SER 52 H SER 52 3.244 -2.967 -5.129 432 HA SER 52 HA SER 52 5.339 -5.071 -5.210 433 1HB SER 52 2HB SER 52 4.937 -3.595 -7.705 434 2HB SER 52 1HB SER 52 5.134 -5.324 -7.443 435 HG SER 52 HG SER 52 2.785 -3.776 -7.020 436 H LEU 53 H LEU 53 4.565 -1.869 -4.569 437 HA LEU 53 HA LEU 53 7.092 -0.752 -5.567 438 1HB LEU 53 2HB LEU 53 4.580 0.374 -4.776 439 2HB LEU 53 1HB LEU 53 5.821 1.037 -3.723 440 HG LEU 53 HG LEU 53 7.035 1.957 -5.524 441 1HD1 LEU 53 1HD1 LEU 53 7.232 0.159 -7.039 442 2HD1 LEU 53 2HD1 LEU 53 6.301 1.359 -7.929 443 3HD1 LEU 53 3HD1 LEU 53 5.490 -0.016 -7.186 444 1HD2 LEU 53 1HD2 LEU 53 4.328 2.202 -6.775 445 2HD2 LEU 53 2HD2 LEU 53 5.524 3.454 -6.442 446 3HD2 LEU 53 3HD2 LEU 53 4.544 2.801 -5.130 447 H ARG 54 H ARG 54 5.970 -2.407 -2.859 448 HA ARG 54 HA ARG 54 7.530 -1.284 -0.767 449 1HB ARG 54 2HB ARG 54 5.908 -3.014 -0.252 450 2HB ARG 54 1HB ARG 54 6.704 -4.152 -1.339 451 1HG ARG 54 2HG ARG 54 8.286 -4.695 0.194 452 2HG ARG 54 1HG ARG 54 8.489 -3.020 0.708 453 1HD ARG 54 2HD ARG 54 6.427 -3.163 2.040 454 2HD ARG 54 1HD ARG 54 6.188 -4.827 1.508 455 HE ARG 54 HE ARG 54 8.686 -4.927 2.628 456 1HH1 ARG 54 2HH1 ARG 54 5.471 -4.259 3.596 457 2HH1 ARG 54 1HH1 ARG 54 5.830 -4.246 5.290 458 1HH2 ARG 54 1HH2 ARG 54 9.244 -4.651 4.837 459 2HH2 ARG 54 2HH2 ARG 54 7.967 -4.467 5.993 460 H LEU 55 H LEU 55 8.336 -3.062 -3.622 461 HA LEU 55 HA LEU 55 10.884 -4.133 -2.922 462 1HB LEU 55 2HB LEU 55 9.336 -3.680 -5.334 463 2HB LEU 55 1HB LEU 55 11.027 -3.253 -5.602 464 HG LEU 55 HG LEU 55 10.441 -5.690 -6.036 465 1HD1 LEU 55 1HD1 LEU 55 12.656 -4.501 -4.618 466 2HD1 LEU 55 2HD1 LEU 55 12.673 -5.830 -5.778 467 3HD1 LEU 55 3HD1 LEU 55 12.413 -6.159 -4.065 468 1HD2 LEU 55 1HD2 LEU 55 9.207 -5.451 -3.545 469 2HD2 LEU 55 2HD2 LEU 55 10.672 -6.371 -3.201 470 3HD2 LEU 55 3HD2 LEU 55 9.521 -6.960 -4.401 471 H ALA 56 H ALA 56 9.842 -0.964 -4.021 472 HA ALA 56 HA ALA 56 11.978 0.502 -4.723 473 1HB ALA 56 1HB ALA 56 11.140 2.323 -3.105 474 2HB ALA 56 2HB ALA 56 9.930 1.143 -2.601 475 3HB ALA 56 3HB ALA 56 9.982 1.693 -4.276 476 H ALA 57 H ALA 57 11.482 -0.819 -1.479 477 HA ALA 57 HA ALA 57 14.202 0.144 -0.702 478 1HB ALA 57 1HB ALA 57 12.127 -1.014 1.167 479 2HB ALA 57 2HB ALA 57 12.126 0.695 0.734 480 3HB ALA 57 3HB ALA 57 13.513 -0.002 1.570 481 H MET 58 H MET 58 12.164 -2.665 -1.168 482 HA MET 58 HA MET 58 13.761 -4.634 0.131 483 1HB MET 58 2HB MET 58 11.399 -4.770 -1.058 484 2HB MET 58 1HB MET 58 12.370 -5.256 -2.448 485 1HG MET 58 2HG MET 58 13.215 -7.163 -1.346 486 2HG MET 58 1HG MET 58 12.771 -6.551 0.246 487 1HE MET 58 1HE MET 58 10.980 -9.821 -0.450 488 2HE MET 58 2HE MET 58 12.575 -9.162 -0.806 489 3HE MET 58 3HE MET 58 11.438 -9.458 -2.120 490 H THR 59 H THR 59 15.980 -4.085 -0.352 491 HA THR 59 HA THR 59 16.807 -4.351 -3.189 492 HB THR 59 HB THR 59 17.842 -2.498 -2.052 493 HG1 THR 59 HG1 THR 59 19.239 -3.765 -3.340 494 1HG2 THR 59 1HG2 THR 59 19.399 -3.556 -0.006 495 2HG2 THR 59 2HG2 THR 59 17.854 -4.386 0.175 496 3HG2 THR 59 3HG2 THR 59 17.917 -2.624 0.199 497 H ALA 60 H ALA 60 15.893 -6.552 -1.227 498 HA ALA 60 HA ALA 60 18.281 -8.315 -1.606 499 1HB ALA 60 1HB ALA 60 16.208 -8.274 0.601 500 2HB ALA 60 2HB ALA 60 17.951 -8.055 0.757 501 3HB ALA 60 3HB ALA 60 17.295 -9.637 0.337 502 H HIS 61 H HIS 61 15.458 -7.640 -2.984 503 HA HIS 61 HA HIS 61 14.074 -10.155 -3.073 504 1HB HIS 61 2HB HIS 61 13.215 -7.821 -3.767 505 2HB HIS 61 1HB HIS 61 14.057 -8.105 -5.289 506 HD1 HIS 61 HD1 HIS 61 12.693 -11.162 -3.756 507 HD2 HIS 61 HD2 HIS 61 11.341 -8.272 -6.443 508 HE1 HIS 61 HE1 HIS 61 10.652 -12.136 -4.892 509 H GLY 62 H GLY 62 15.804 -11.679 -3.433 510 1HA GLY 62 2HA GLY 62 17.316 -11.533 -5.949 511 2HA GLY 62 1HA GLY 62 17.435 -12.813 -4.743 512 H LYS 63 H LYS 63 14.520 -11.606 -6.396 513 HA LYS 63 HA LYS 63 14.198 -14.342 -7.561 514 1HB LYS 63 2HB LYS 63 12.501 -12.933 -5.759 515 2HB LYS 63 1HB LYS 63 11.680 -12.990 -7.317 516 1HG LYS 63 2HG LYS 63 12.970 -15.527 -6.630 517 2HG LYS 63 1HG LYS 63 11.742 -15.046 -5.459 518 1HD LYS 63 2HD LYS 63 10.299 -16.000 -6.944 519 2HD LYS 63 1HD LYS 63 10.467 -14.465 -7.798 520 1HE LYS 63 2HE LYS 63 10.981 -15.959 -9.501 521 2HE LYS 63 1HE LYS 63 12.588 -15.641 -8.849 522 1HZ LYS 63 1HZ LYS 63 12.361 -17.970 -9.035 523 2HZ LYS 63 2HZ LYS 63 10.836 -17.964 -8.287 524 3HZ LYS 63 3HZ LYS 63 12.230 -17.611 -7.383 525 H GLY 64 H GLY 64 14.058 -10.895 -8.046 526 1HA GLY 64 2HA GLY 64 14.371 -11.019 -10.849 527 2HA GLY 64 1HA GLY 64 12.640 -10.866 -10.537 528 H GLU 65 H GLU 65 15.618 -9.175 -10.702 529 HA GLU 65 HA GLU 65 14.321 -6.615 -10.516 530 1HB GLU 65 2HB GLU 65 15.587 -5.875 -8.432 531 2HB GLU 65 1HB GLU 65 14.230 -6.965 -8.149 532 1HG GLU 65 2HG GLU 65 15.613 -8.777 -7.675 533 2HG GLU 65 1HG GLU 65 16.968 -8.112 -8.587 534 H ARG 66 H ARG 66 15.585 -5.200 -11.634 535 HA ARG 66 HA ARG 66 18.211 -6.074 -12.562 536 1HB ARG 66 2HB ARG 66 16.226 -4.261 -13.446 537 2HB ARG 66 1HB ARG 66 17.666 -3.295 -13.128 538 1HG ARG 66 2HG ARG 66 18.441 -5.739 -14.428 539 2HG ARG 66 1HG ARG 66 17.165 -4.962 -15.367 540 1HD ARG 66 2HD ARG 66 18.682 -2.799 -14.778 541 2HD ARG 66 1HD ARG 66 19.932 -4.043 -14.808 542 HE ARG 66 HE ARG 66 18.528 -3.010 -17.118 543 1HH1 ARG 66 2HH1 ARG 66 17.634 -5.716 -17.476 544 2HH1 ARG 66 1HH1 ARG 66 18.982 -6.525 -18.204 545 1HH2 ARG 66 2HH2 ARG 66 21.043 -5.604 -18.103 546 2HH2 ARG 66 1HH2 ARG 66 21.276 -4.088 -17.297 547 H VAL 67 H VAL 67 19.436 -3.424 -12.600 548 HA VAL 67 HA VAL 67 19.814 -2.831 -9.712 549 HB VAL 67 HB VAL 67 22.185 -3.254 -11.540 550 1HG1 VAL 67 1HG1 VAL 67 22.518 -3.745 -8.698 551 2HG1 VAL 67 2HG1 VAL 67 21.857 -2.136 -8.984 552 3HG1 VAL 67 3HG1 VAL 67 23.379 -2.611 -9.738 553 1HG2 VAL 67 1HG2 VAL 67 22.419 -5.443 -10.227 554 2HG2 VAL 67 2HG2 VAL 67 21.160 -5.412 -11.460 555 3HG2 VAL 67 3HG2 VAL 67 20.733 -5.225 -9.759 556 H ASN 68 H ASN 68 18.444 -1.223 -11.496 557 HA ASN 68 HA ASN 68 19.908 1.248 -11.312 558 1HB ASN 68 2HB ASN 68 20.138 -0.311 -13.797 559 2HB ASN 68 1HB ASN 68 19.592 1.347 -14.048 560 1HD2 ASN 68 1HD2 ASN 68 21.958 1.248 -15.100 561 2HD2 ASN 68 2HD2 ASN 68 23.218 1.731 -14.071 562 H GLU 69 H GLU 69 18.612 2.800 -13.162 563 HA GLU 69 HA GLU 69 16.107 3.327 -12.110 564 1HB GLU 69 2HB GLU 69 17.522 4.415 -14.136 565 2HB GLU 69 1HB GLU 69 16.288 3.571 -15.071 566 1HG GLU 69 2HG GLU 69 14.758 4.701 -13.115 567 2HG GLU 69 1HG GLU 69 16.025 5.915 -13.284 568 H ASP 70 H ASP 70 16.969 0.808 -14.405 569 HA ASP 70 HA ASP 70 14.252 0.106 -15.110 570 1HB ASP 70 2HB ASP 70 16.411 -1.956 -15.054 571 2HB ASP 70 1HB ASP 70 15.174 -1.663 -16.278 572 H TYR 71 H TYR 71 16.617 -1.222 -12.803 573 HA TYR 71 HA TYR 71 15.498 -3.346 -11.595 574 1HB TYR 71 2HB TYR 71 17.349 -2.429 -10.457 575 2HB TYR 71 1HB TYR 71 16.592 -0.844 -10.317 576 HD1 TYR 71 HD1 TYR 71 16.279 -0.336 -8.081 577 HD2 TYR 71 HD2 TYR 71 15.392 -4.307 -9.459 578 HE1 TYR 71 HE1 TYR 71 15.404 -0.912 -5.833 579 HE2 TYR 71 HE2 TYR 71 14.521 -4.886 -7.208 580 HH TYR 71 HH TYR 71 14.668 -4.173 -4.945 581 H LEU 72 H LEU 72 14.391 -0.053 -10.916 582 HA LEU 72 HA LEU 72 12.371 -0.726 -9.142 583 1HB LEU 72 2HB LEU 72 12.093 1.493 -11.143 584 2HB LEU 72 1HB LEU 72 11.464 1.425 -9.497 585 HG LEU 72 HG LEU 72 14.337 1.709 -10.368 586 1HD1 LEU 72 1HD1 LEU 72 12.348 3.325 -8.773 587 2HD1 LEU 72 2HD1 LEU 72 13.196 3.793 -10.245 588 3HD1 LEU 72 3HD1 LEU 72 14.079 3.655 -8.727 589 1HD2 LEU 72 1HD2 LEU 72 13.868 0.020 -8.428 590 2HD2 LEU 72 2HD2 LEU 72 13.435 1.456 -7.506 591 3HD2 LEU 72 3HD2 LEU 72 15.057 1.289 -8.168 592 H ARG 73 H ARG 73 12.008 -0.154 -12.614 593 HA ARG 73 HA ARG 73 9.235 -1.042 -12.600 594 1HB ARG 73 2HB ARG 73 10.876 0.243 -14.434 595 2HB ARG 73 1HB ARG 73 10.701 -1.358 -15.147 596 1HG ARG 73 2HG ARG 73 8.143 -0.969 -14.510 597 2HG ARG 73 1HG ARG 73 8.621 0.723 -14.632 598 1HD ARG 73 2HD ARG 73 8.430 -1.349 -16.760 599 2HD ARG 73 1HD ARG 73 8.101 0.381 -16.842 600 HE ARG 73 HE ARG 73 10.862 -0.779 -16.890 601 1HH1 ARG 73 2HH1 ARG 73 11.890 1.567 -16.706 602 2HH1 ARG 73 1HH1 ARG 73 11.486 2.537 -18.083 603 1HH2 ARG 73 2HH2 ARG 73 9.782 1.925 -19.437 604 2HH2 ARG 73 1HH2 ARG 73 8.880 0.486 -19.097 605 H GLN 74 H GLN 74 12.203 -2.699 -12.464 606 HA GLN 74 HA GLN 74 11.018 -5.189 -13.544 607 1HB GLN 74 2HB GLN 74 13.470 -4.344 -14.021 608 2HB GLN 74 1HB GLN 74 13.807 -4.949 -12.404 609 1HG GLN 74 2HG GLN 74 14.285 -6.810 -13.747 610 2HG GLN 74 1HG GLN 74 12.634 -7.127 -13.216 611 1HE2 GLN 74 1HE2 GLN 74 14.251 -7.718 -15.850 612 2HE2 GLN 74 2HE2 GLN 74 13.171 -7.238 -17.068 613 H ALA 75 H ALA 75 11.241 -3.487 -10.731 614 HA ALA 75 HA ALA 75 11.437 -5.818 -8.926 615 1HB ALA 75 1HB ALA 75 12.355 -4.259 -7.555 616 2HB ALA 75 2HB ALA 75 10.824 -3.384 -7.547 617 3HB ALA 75 3HB ALA 75 12.047 -3.011 -8.762 618 H PHE 76 H PHE 76 9.289 -3.067 -9.542 619 HA PHE 76 HA PHE 76 7.038 -4.520 -8.292 620 1HB PHE 76 2HB PHE 76 6.264 -2.447 -7.731 621 2HB PHE 76 1HB PHE 76 7.897 -1.934 -8.088 622 HD1 PHE 76 HD1 PHE 76 4.700 -0.961 -8.525 623 HD2 PHE 76 HD2 PHE 76 8.159 -1.850 -10.897 624 HE1 PHE 76 HE1 PHE 76 3.830 0.490 -10.318 625 HE2 PHE 76 HE2 PHE 76 7.291 -0.400 -12.698 626 HZ PHE 76 HZ PHE 76 5.123 0.771 -12.425 627 H ARG 77 H ARG 77 8.164 -5.165 -11.034 628 HA ARG 77 HA ARG 77 5.557 -5.085 -12.436 629 1HB ARG 77 2HB ARG 77 7.563 -3.199 -12.979 630 2HB ARG 77 1HB ARG 77 7.687 -4.371 -14.279 631 1HG ARG 77 2HG ARG 77 5.117 -4.172 -14.470 632 2HG ARG 77 1HG ARG 77 5.288 -2.715 -13.488 633 1HD ARG 77 2HD ARG 77 5.945 -1.540 -15.289 634 2HD ARG 77 1HD ARG 77 7.264 -2.675 -15.577 635 HE ARG 77 HE ARG 77 5.905 -3.793 -17.183 636 1HH1 ARG 77 2HH1 ARG 77 3.388 -4.426 -16.531 637 2HH1 ARG 77 1HH1 ARG 77 2.344 -3.144 -17.046 638 1HH2 ARG 77 2HH2 ARG 77 3.204 -1.105 -17.515 639 2HH2 ARG 77 1HH2 ARG 77 4.906 -0.827 -17.359 640 H GLU 78 H GLU 78 8.997 -5.946 -12.773 641 HA GLU 78 HA GLU 78 8.872 -7.894 -14.719 642 1HB GLU 78 2HB GLU 78 10.959 -8.510 -13.994 643 2HB GLU 78 1HB GLU 78 10.791 -7.046 -13.036 644 1HG GLU 78 2HG GLU 78 11.413 -8.570 -11.392 645 2HG GLU 78 1HG GLU 78 9.655 -8.690 -11.297 646 H LEU 79 H LEU 79 7.473 -8.059 -11.525 647 HA LEU 79 HA LEU 79 6.998 -10.969 -11.784 648 1HB LEU 79 2HB LEU 79 6.244 -9.020 -9.590 649 2HB LEU 79 1HB LEU 79 5.996 -10.764 -9.529 650 HG LEU 79 HG LEU 79 8.628 -10.684 -10.178 651 1HD1 LEU 79 1HD1 LEU 79 8.511 -8.526 -8.120 652 2HD1 LEU 79 2HD1 LEU 79 8.240 -8.061 -9.799 653 3HD1 LEU 79 3HD1 LEU 79 9.747 -8.852 -9.335 654 1HD2 LEU 79 1HD2 LEU 79 8.923 -11.603 -8.088 655 2HD2 LEU 79 2HD2 LEU 79 7.159 -11.622 -8.124 656 3HD2 LEU 79 3HD2 LEU 79 8.011 -10.325 -7.285 657 H ASP 80 H ASP 80 4.814 -8.270 -10.821 658 HA ASP 80 HA ASP 80 2.992 -8.433 -12.939 659 1HB ASP 80 2HB ASP 80 1.265 -9.968 -11.733 660 2HB ASP 80 1HB ASP 80 2.569 -10.711 -12.669 661 H LEU 81 H LEU 81 2.970 -8.530 -9.374 662 HA LEU 81 HA LEU 81 2.174 -6.896 -7.897 663 1HB LEU 81 2HB LEU 81 0.742 -5.524 -10.163 664 2HB LEU 81 1HB LEU 81 1.315 -4.856 -8.646 665 HG LEU 81 HG LEU 81 2.823 -5.373 -11.165 666 1HD1 LEU 81 1HD1 LEU 81 2.103 -3.177 -9.562 667 2HD1 LEU 81 2HD1 LEU 81 3.164 -3.164 -10.970 668 3HD1 LEU 81 3HD1 LEU 81 3.844 -3.364 -9.356 669 1HD2 LEU 81 1HD2 LEU 81 3.771 -6.162 -8.484 670 2HD2 LEU 81 2HD2 LEU 81 4.846 -5.062 -9.326 671 3HD2 LEU 81 3HD2 LEU 81 4.404 -6.595 -10.067 672 H ASP 82 H ASP 82 0.955 -9.361 -8.414 673 HA ASP 82 HA ASP 82 -1.842 -8.671 -7.779 674 1HB ASP 82 2HB ASP 82 -2.690 -10.432 -9.335 675 2HB ASP 82 1HB ASP 82 -1.926 -9.078 -10.170 676 H VAL 83 H VAL 83 0.811 -10.891 -7.543 677 HA VAL 83 HA VAL 83 -0.256 -12.053 -5.133 678 HB VAL 83 HB VAL 83 -0.097 -14.452 -6.338 679 1HG1 VAL 83 1HG1 VAL 83 -2.123 -12.786 -5.319 680 2HG1 VAL 83 2HG1 VAL 83 -2.230 -14.520 -5.623 681 3HG1 VAL 83 3HG1 VAL 83 -2.734 -13.374 -6.865 682 1HG2 VAL 83 1HG2 VAL 83 0.318 -13.262 -8.553 683 2HG2 VAL 83 2HG2 VAL 83 -1.347 -12.690 -8.461 684 3HG2 VAL 83 3HG2 VAL 83 -1.013 -14.420 -8.556 685 H ASP 84 H ASP 84 2.048 -12.251 -7.800 686 HA ASP 84 HA ASP 84 3.964 -13.936 -6.506 687 1HB ASP 84 2HB ASP 84 4.187 -11.835 -8.660 688 2HB ASP 84 1HB ASP 84 5.596 -12.713 -8.073 689 H ILE 85 H ILE 85 3.393 -10.451 -6.402 690 HA ILE 85 HA ILE 85 5.728 -10.092 -4.612 691 HB ILE 85 HB ILE 85 4.296 -7.677 -4.676 692 1HG1 ILE 85 2HG1 ILE 85 2.974 -8.680 -6.581 693 2HG1 ILE 85 1HG1 ILE 85 3.867 -7.224 -7.009 694 1HG2 ILE 85 1HG2 ILE 85 6.823 -8.795 -5.663 695 2HG2 ILE 85 2HG2 ILE 85 6.510 -7.260 -4.853 696 3HG2 ILE 85 3HG2 ILE 85 6.258 -7.407 -6.592 697 1HD1 ILE 85 1HD1 ILE 85 5.711 -9.229 -7.502 698 2HD1 ILE 85 2HD1 ILE 85 4.716 -8.433 -8.720 699 3HD1 ILE 85 3HD1 ILE 85 4.189 -9.959 -8.013 700 H SER 86 H SER 86 2.676 -11.194 -4.245 701 HA SER 86 HA SER 86 1.942 -9.691 -1.838 702 1HB SER 86 2HB SER 86 0.399 -10.926 -3.612 703 2HB SER 86 1HB SER 86 0.697 -12.319 -2.579 704 HG SER 86 HG SER 86 0.061 -9.955 -1.281 705 H THR 87 H THR 87 1.109 -11.653 -0.097 706 HA THR 87 HA THR 87 3.707 -12.876 0.713 707 HB THR 87 HB THR 87 1.192 -12.608 2.382 708 HG1 THR 87 HG1 THR 87 2.112 -10.732 3.178 709 1HG2 THR 87 1HG2 THR 87 3.978 -12.664 3.452 710 2HG2 THR 87 2HG2 THR 87 3.295 -14.175 2.853 711 3HG2 THR 87 3HG2 THR 87 2.491 -13.301 4.156 712 H LEU 88 H LEU 88 1.485 -13.752 -1.249 713 HA LEU 88 HA LEU 88 0.981 -16.432 -0.055 714 1HB LEU 88 2HB LEU 88 -0.602 -15.777 -2.412 715 2HB LEU 88 1HB LEU 88 -1.134 -16.291 -0.817 716 HG LEU 88 HG LEU 88 -0.321 -13.462 -1.509 717 1HD1 LEU 88 1HD1 LEU 88 -2.495 -14.470 -2.544 718 2HD1 LEU 88 2HD1 LEU 88 -2.595 -12.916 -1.717 719 3HD1 LEU 88 3HD1 LEU 88 -3.119 -14.386 -0.896 720 1HD2 LEU 88 1HD2 LEU 88 -0.560 -14.821 0.957 721 2HD2 LEU 88 2HD2 LEU 88 -2.005 -13.820 0.814 722 3HD2 LEU 88 3HD2 LEU 88 -0.407 -13.081 0.712 723 H LEU 89 H LEU 89 2.669 -17.671 -0.819 724 HA LEU 89 HA LEU 89 2.884 -17.925 -3.777 725 1HB LEU 89 2HB LEU 89 5.056 -17.183 -1.859 726 2HB LEU 89 1HB LEU 89 5.464 -18.262 -3.193 727 HG LEU 89 HG LEU 89 4.028 -16.401 -4.534 728 1HD1 LEU 89 1HD1 LEU 89 5.149 -15.102 -2.063 729 2HD1 LEU 89 2HD1 LEU 89 3.590 -14.841 -2.844 730 3HD1 LEU 89 3HD1 LEU 89 5.058 -14.191 -3.571 731 1HD2 LEU 89 1HD2 LEU 89 6.390 -17.266 -4.918 732 2HD2 LEU 89 2HD2 LEU 89 6.946 -16.000 -3.824 733 3HD2 LEU 89 3HD2 LEU 89 6.139 -15.570 -5.332 734 H ARG 90 H ARG 90 4.225 -19.249 -0.730 735 HA ARG 90 HA ARG 90 4.299 -21.947 -1.865 736 1HB ARG 90 2HB ARG 90 5.627 -20.657 0.208 737 2HB ARG 90 1HB ARG 90 4.534 -21.758 1.045 738 1HG ARG 90 2HG ARG 90 6.281 -23.214 0.679 739 2HG ARG 90 1HG ARG 90 5.417 -23.443 -0.842 740 1HD ARG 90 2HD ARG 90 6.936 -21.264 -1.448 741 2HD ARG 90 1HD ARG 90 8.004 -22.105 -0.326 742 HE ARG 90 HE ARG 90 6.939 -23.951 -2.262 743 1HH1 ARG 90 2HH1 ARG 90 8.525 -21.028 -2.737 744 2HH1 ARG 90 1HH1 ARG 90 9.886 -21.701 -3.572 745 1HH2 ARG 90 1HH2 ARG 90 8.984 -24.990 -2.941 746 2HH2 ARG 90 2HH2 ARG 90 10.145 -23.944 -3.687 747 H ASN 91 HN ASN 91 3.468 -23.251 0.650 748 HA ASN 91 HA ASN 91 0.684 -23.621 0.036 749 1HB ASN 91 2HB ASN 91 0.633 -24.973 2.110 750 2HB ASN 91 1HB ASN 91 2.031 -25.380 1.115 751 1HD2 ASN 91 1HD2 ASN 91 3.355 -26.053 2.928 752 2HD2 ASN 91 2HD2 ASN 91 3.935 -24.946 4.076 Start of MODEL 11 1 1H GLY 1 1H GLY 1 -17.412 -0.817 4.793 2 2H GLY 1 2H GLY 1 -17.821 -0.164 6.307 3 3H GLY 1 3H GLY 1 -17.228 -1.752 6.198 4 1HA GLY 1 1HA GLY 1 -15.633 0.237 6.789 5 2HA GLY 1 2HA GLY 1 -15.025 -1.194 5.901 6 H SER 2 H SER 2 -13.652 0.260 4.630 7 HA SER 2 HA SER 2 -14.430 3.129 4.311 8 1HB SER 2 2HB SER 2 -12.011 1.931 5.160 9 2HB SER 2 1HB SER 2 -11.701 2.572 3.549 10 HG SER 2 HG SER 2 -11.813 4.508 4.349 11 H ARG 3 H ARG 3 -15.730 2.790 2.426 12 HA ARG 3 HA ARG 3 -14.378 1.589 0.069 13 1HB ARG 3 2HB ARG 3 -16.809 1.057 0.754 14 2HB ARG 3 1HB ARG 3 -17.198 2.667 0.145 15 1HG ARG 3 2HG ARG 3 -16.865 2.069 -2.036 16 2HG ARG 3 1HG ARG 3 -15.527 0.991 -1.641 17 1HD ARG 3 2HD ARG 3 -18.171 0.131 -0.629 18 2HD ARG 3 1HD ARG 3 -18.000 0.118 -2.384 19 HE ARG 3 HE ARG 3 -15.733 -1.171 -1.638 20 1HH1 ARG 3 2HH1 ARG 3 -15.886 -2.518 0.554 21 2HH1 ARG 3 1HH1 ARG 3 -17.134 -3.716 0.458 22 1HH2 ARG 3 2HH2 ARG 3 -18.723 -3.567 -1.143 23 2HH2 ARG 3 1HH2 ARG 3 -18.693 -2.256 -2.275 24 H ILE 4 H ILE 4 -13.334 4.063 0.997 25 HA ILE 4 HA ILE 4 -14.462 6.245 -0.573 26 HB ILE 4 HB ILE 4 -12.392 7.453 0.118 27 1HG1 ILE 4 2HG1 ILE 4 -11.498 5.369 1.962 28 2HG1 ILE 4 1HG1 ILE 4 -11.334 4.878 0.275 29 1HG2 ILE 4 1HG2 ILE 4 -13.123 6.175 2.659 30 2HG2 ILE 4 2HG2 ILE 4 -14.518 6.642 1.686 31 3HG2 ILE 4 3HG2 ILE 4 -13.321 7.851 2.146 32 1HD1 ILE 4 1HD1 ILE 4 -9.318 6.000 0.629 33 2HD1 ILE 4 2HD1 ILE 4 -10.055 7.189 1.704 34 3HD1 ILE 4 3HD1 ILE 4 -10.326 7.286 -0.037 35 H ALA 5 H ALA 5 -13.435 7.209 -2.440 36 HA ALA 5 HA ALA 5 -11.915 5.209 -4.039 37 1HB ALA 5 1HB ALA 5 -13.601 7.607 -4.747 38 2HB ALA 5 2HB ALA 5 -13.792 5.935 -5.269 39 3HB ALA 5 3HB ALA 5 -12.477 6.914 -5.915 40 H LYS 6 H LYS 6 -11.908 8.773 -4.184 41 HA LYS 6 HA LYS 6 -9.030 8.778 -4.635 42 1HB LYS 6 2HB LYS 6 -11.083 10.516 -5.234 43 2HB LYS 6 1HB LYS 6 -10.269 11.341 -3.903 44 1HG LYS 6 2HG LYS 6 -8.079 10.812 -5.175 45 2HG LYS 6 1HG LYS 6 -9.122 10.486 -6.559 46 1HD LYS 6 2HD LYS 6 -10.042 12.727 -6.472 47 2HD LYS 6 1HD LYS 6 -9.176 13.068 -4.973 48 1HE LYS 6 2HE LYS 6 -7.343 12.125 -7.008 49 2HE LYS 6 1HE LYS 6 -8.252 13.520 -7.591 50 1HZ LYS 6 1HZ LYS 6 -6.274 13.353 -5.494 51 2HZ LYS 6 2HZ LYS 6 -7.653 14.256 -5.083 52 3HZ LYS 6 3HZ LYS 6 -6.736 14.678 -6.449 53 H ARG 7 H ARG 7 -7.658 8.438 -2.957 54 HA ARG 7 HA ARG 7 -8.333 8.666 -0.206 55 1HB ARG 7 2HB ARG 7 -6.226 7.619 -1.514 56 2HB ARG 7 1HB ARG 7 -5.502 9.147 -1.005 57 1HG ARG 7 2HG ARG 7 -5.162 8.220 1.019 58 2HG ARG 7 1HG ARG 7 -6.912 8.222 1.241 59 1HD ARG 7 2HD ARG 7 -7.011 6.006 0.078 60 2HD ARG 7 1HD ARG 7 -5.248 5.996 0.030 61 HE ARG 7 HE ARG 7 -5.228 5.764 2.447 62 1HH1 ARG 7 2HH1 ARG 7 -7.171 3.618 1.651 63 2HH1 ARG 7 1HH1 ARG 7 -8.498 3.918 2.723 64 1HH2 ARG 7 1HH2 ARG 7 -7.445 7.115 3.558 65 2HH2 ARG 7 2HH2 ARG 7 -8.651 5.896 3.804 66 H THR 8 H THR 8 -6.162 10.267 0.818 67 HA THR 8 HA THR 8 -7.331 12.957 0.313 68 HB THR 8 HB THR 8 -5.355 12.311 2.495 69 HG1 THR 8 HG1 THR 8 -8.067 11.630 2.282 70 1HG2 THR 8 1HG2 THR 8 -6.217 14.671 1.845 71 2HG2 THR 8 2HG2 THR 8 -6.262 14.212 3.547 72 3HG2 THR 8 3HG2 THR 8 -7.736 14.156 2.580 73 H ALA 9 H ALA 9 -4.160 11.327 0.581 74 HA ALA 9 HA ALA 9 -2.791 13.708 -0.459 75 1HB ALA 9 1HB ALA 9 -1.047 12.760 0.595 76 2HB ALA 9 2HB ALA 9 -1.121 11.394 -0.514 77 3HB ALA 9 3HB ALA 9 -2.047 11.360 0.983 78 H ILE 10 H ILE 10 -1.075 13.068 -2.308 79 HA ILE 10 HA ILE 10 -2.740 12.082 -4.549 80 HB ILE 10 HB ILE 10 -0.100 13.561 -4.480 81 1HG1 ILE 10 2HG1 ILE 10 -2.471 14.670 -5.850 82 2HG1 ILE 10 1HG1 ILE 10 -2.643 14.515 -4.101 83 1HG2 ILE 10 1HG2 ILE 10 -1.437 12.033 -6.599 84 2HG2 ILE 10 2HG2 ILE 10 0.212 12.657 -6.533 85 3HG2 ILE 10 3HG2 ILE 10 -1.107 13.705 -7.054 86 1HD1 ILE 10 1HD1 ILE 10 -0.970 16.038 -3.660 87 2HD1 ILE 10 2HD1 ILE 10 -1.516 16.674 -5.213 88 3HD1 ILE 10 3HD1 ILE 10 -0.083 15.649 -5.134 89 H ASN 11 H ASN 11 0.650 11.637 -3.434 90 HA ASN 11 HA ASN 11 2.054 9.757 -3.614 91 1HB ASN 11 2HB ASN 11 0.512 8.389 -2.448 92 2HB ASN 11 1HB ASN 11 -0.680 8.474 -3.738 93 1HD2 ASN 11 1HD2 ASN 11 2.725 7.356 -3.271 94 2HD2 ASN 11 2HD2 ASN 11 2.557 5.975 -4.244 95 H LYS 12 H LYS 12 3.173 10.074 -5.539 96 HA LYS 12 HA LYS 12 3.584 10.095 -7.859 97 1HB LYS 12 2HB LYS 12 1.939 7.601 -8.050 98 2HB LYS 12 1HB LYS 12 3.531 7.946 -8.724 99 1HG LYS 12 2HG LYS 12 2.927 7.502 -5.787 100 2HG LYS 12 1HG LYS 12 3.687 6.329 -6.863 101 1HD LYS 12 2HD LYS 12 5.568 7.843 -7.237 102 2HD LYS 12 1HD LYS 12 4.799 9.082 -6.244 103 1HE LYS 12 2HE LYS 12 6.335 8.039 -4.774 104 2HE LYS 12 1HE LYS 12 4.783 7.300 -4.374 105 1HZ LYS 12 1HZ LYS 12 5.913 5.402 -4.682 106 2HZ LYS 12 2HZ LYS 12 7.122 6.136 -5.625 107 3HZ LYS 12 3HZ LYS 12 5.639 5.696 -6.330 108 H THR 13 H THR 13 1.482 8.540 -9.604 109 HA THR 13 HA THR 13 -1.018 9.843 -9.490 110 HB THR 13 HB THR 13 -0.203 11.346 -11.667 111 HG1 THR 13 HG1 THR 13 1.765 11.994 -11.353 112 1HG2 THR 13 1HG2 THR 13 -1.598 12.538 -10.323 113 2HG2 THR 13 2HG2 THR 13 -0.102 13.152 -9.622 114 3HG2 THR 13 3HG2 THR 13 -0.954 11.816 -8.849 115 H LYS 14 H LYS 14 -2.342 9.189 -11.269 116 HA LYS 14 HA LYS 14 -1.855 6.806 -12.555 117 1HB LYS 14 2HB LYS 14 -3.450 9.211 -13.409 118 2HB LYS 14 1HB LYS 14 -3.334 7.806 -14.469 119 1HG LYS 14 2HG LYS 14 -4.536 6.454 -13.044 120 2HG LYS 14 1HG LYS 14 -3.987 7.308 -11.601 121 1HD LYS 14 2HD LYS 14 -5.379 9.303 -12.552 122 2HD LYS 14 1HD LYS 14 -6.181 8.064 -13.518 123 1HE LYS 14 2HE LYS 14 -7.409 7.423 -11.745 124 2HE LYS 14 1HE LYS 14 -5.947 7.145 -10.799 125 1HZ LYS 14 1HZ LYS 14 -5.976 9.733 -10.646 126 2HZ LYS 14 2HZ LYS 14 -6.933 8.798 -9.599 127 3HZ LYS 14 3HZ LYS 14 -7.630 9.541 -10.959 128 H LYS 15 H LYS 15 -1.008 10.030 -13.836 129 HA LYS 15 HA LYS 15 0.285 8.918 -16.193 130 1HB LYS 15 2HB LYS 15 0.410 11.676 -14.936 131 2HB LYS 15 1HB LYS 15 1.133 11.258 -16.489 132 1HG LYS 15 2HG LYS 15 -0.918 11.017 -17.539 133 2HG LYS 15 1HG LYS 15 -1.754 10.601 -16.041 134 1HD LYS 15 2HD LYS 15 -0.746 13.206 -15.655 135 2HD LYS 15 1HD LYS 15 -1.434 13.195 -17.279 136 1HE LYS 15 2HE LYS 15 -3.568 12.513 -16.487 137 2HE LYS 15 1HE LYS 15 -2.922 12.056 -14.911 138 1HZ LYS 15 1HZ LYS 15 -4.139 14.294 -15.165 139 2HZ LYS 15 2HZ LYS 15 -2.684 14.834 -15.855 140 3HZ LYS 15 3HZ LYS 15 -2.704 14.240 -14.264 141 H ALA 16 H ALA 16 1.390 10.178 -13.055 142 HA ALA 16 HA ALA 16 4.180 9.482 -13.745 143 1HB ALA 16 1HB ALA 16 3.376 11.590 -12.413 144 2HB ALA 16 2HB ALA 16 4.824 10.740 -11.875 145 3HB ALA 16 3HB ALA 16 3.289 10.477 -11.049 146 H ASP 17 H ASP 17 1.914 7.511 -13.254 147 HA ASP 17 HA ASP 17 2.608 6.128 -10.775 148 1HB ASP 17 2HB ASP 17 0.390 6.150 -12.279 149 2HB ASP 17 1HB ASP 17 1.179 4.744 -12.996 150 H VAL 18 H VAL 18 3.706 6.168 -14.049 151 HA VAL 18 HA VAL 18 5.280 3.673 -13.577 152 HB VAL 18 HB VAL 18 4.838 5.032 -16.243 153 1HG1 VAL 18 1HG1 VAL 18 5.400 2.138 -15.548 154 2HG1 VAL 18 2HG1 VAL 18 6.667 3.307 -15.920 155 3HG1 VAL 18 3HG1 VAL 18 5.468 2.887 -17.143 156 1HG2 VAL 18 1HG2 VAL 18 2.909 3.660 -14.583 157 2HG2 VAL 18 2HG2 VAL 18 3.214 2.725 -16.047 158 3HG2 VAL 18 3HG2 VAL 18 2.675 4.401 -16.166 159 H LYS 19 H LYS 19 5.449 7.083 -13.880 160 HA LYS 19 HA LYS 19 8.287 7.065 -14.713 161 1HB LYS 19 2HB LYS 19 8.134 9.409 -14.870 162 2HB LYS 19 1HB LYS 19 6.515 8.879 -15.322 163 1HG LYS 19 2HG LYS 19 5.809 9.213 -12.932 164 2HG LYS 19 1HG LYS 19 7.398 9.907 -12.612 165 1HD LYS 19 2HD LYS 19 6.658 11.322 -14.829 166 2HD LYS 19 1HD LYS 19 5.095 11.075 -14.049 167 1HE LYS 19 2HE LYS 19 5.620 12.412 -12.279 168 2HE LYS 19 1HE LYS 19 7.290 11.850 -12.226 169 1HZ LYS 19 1HZ LYS 19 7.688 13.892 -13.041 170 2HZ LYS 19 2HZ LYS 19 6.125 14.076 -13.681 171 3HZ LYS 19 3HZ LYS 19 7.291 13.176 -14.527 172 H ALA 20 H ALA 20 6.353 7.780 -11.818 173 HA ALA 20 HA ALA 20 8.585 8.483 -10.132 174 1HB ALA 20 1HB ALA 20 7.038 8.270 -8.306 175 2HB ALA 20 2HB ALA 20 5.971 7.232 -9.251 176 3HB ALA 20 3HB ALA 20 6.129 8.940 -9.660 177 H ILE 21 H ILE 21 7.481 5.503 -11.418 178 HA ILE 21 HA ILE 21 8.556 3.847 -9.267 179 HB ILE 21 HB ILE 21 7.578 3.254 -12.070 180 1HG1 ILE 21 2HG1 ILE 21 5.611 2.557 -11.078 181 2HG1 ILE 21 1HG1 ILE 21 6.414 2.055 -9.597 182 1HG2 ILE 21 1HG2 ILE 21 9.442 1.716 -10.656 183 2HG2 ILE 21 2HG2 ILE 21 8.429 1.163 -11.986 184 3HG2 ILE 21 3HG2 ILE 21 7.895 0.946 -10.320 185 1HD1 ILE 21 1HD1 ILE 21 6.667 4.403 -8.914 186 2HD1 ILE 21 2HD1 ILE 21 4.971 4.034 -9.224 187 3HD1 ILE 21 3HD1 ILE 21 5.909 4.932 -10.417 188 H ALA 22 H ALA 22 9.730 5.164 -12.324 189 HA ALA 22 HA ALA 22 12.200 3.552 -12.130 190 1HB ALA 22 1HB ALA 22 12.287 3.880 -14.355 191 2HB ALA 22 2HB ALA 22 12.327 5.628 -14.125 192 3HB ALA 22 3HB ALA 22 10.780 4.791 -14.241 193 H ASP 23 H ASP 23 11.088 6.815 -11.514 194 HA ASP 23 HA ASP 23 13.851 7.749 -11.022 195 1HB ASP 23 2HB ASP 23 11.986 9.107 -12.218 196 2HB ASP 23 1HB ASP 23 11.355 9.383 -10.595 197 H ALA 24 H ALA 24 11.139 6.535 -9.235 198 HA ALA 24 HA ALA 24 12.139 7.767 -6.735 199 1HB ALA 24 1HB ALA 24 9.663 7.567 -7.241 200 2HB ALA 24 2HB ALA 24 10.164 6.922 -5.678 201 3HB ALA 24 3HB ALA 24 9.839 5.827 -7.020 202 H TRP 25 H TRP 25 12.034 6.055 -4.819 203 HA TRP 25 HA TRP 25 13.085 4.286 -3.763 204 1HB TRP 25 2HB TRP 25 13.586 2.615 -6.120 205 2HB TRP 25 1HB TRP 25 12.858 2.194 -4.591 206 HD1 TRP 25 HD1 TRP 25 10.549 4.758 -5.688 207 HE1 TRP 25 HE1 TRP 25 8.658 3.803 -7.093 208 HE3 TRP 25 HE3 TRP 25 12.428 0.112 -6.743 209 HZ2 TRP 25 HZ2 TRP 25 8.004 1.414 -8.468 210 HZ3 TRP 25 HZ3 TRP 25 11.101 -1.467 -8.091 211 HH2 TRP 25 HH2 TRP 25 8.896 -0.810 -8.960 212 H GLN 26 H GLN 26 15.135 2.570 -5.232 213 HA GLN 26 HA GLN 26 17.294 4.586 -5.074 214 1HB GLN 26 2HB GLN 26 17.286 2.223 -3.960 215 2HB GLN 26 1HB GLN 26 17.703 1.647 -5.572 216 1HG GLN 26 2HG GLN 26 19.794 2.030 -4.500 217 2HG GLN 26 1HG GLN 26 19.558 3.418 -5.563 218 1HE2 GLN 26 1HE2 GLN 26 20.027 5.358 -4.534 219 2HE2 GLN 26 2HE2 GLN 26 19.792 5.672 -2.882 220 H ILE 27 H ILE 27 16.467 5.518 -7.264 221 HA ILE 27 HA ILE 27 17.386 3.819 -9.537 222 HB ILE 27 HB ILE 27 15.568 4.635 -10.587 223 1HG1 ILE 27 2HG1 ILE 27 17.292 6.307 -11.427 224 2HG1 ILE 27 1HG1 ILE 27 15.613 6.833 -11.541 225 1HG2 ILE 27 1HG2 ILE 27 14.904 5.250 -8.124 226 2HG2 ILE 27 2HG2 ILE 27 13.946 5.813 -9.478 227 3HG2 ILE 27 3HG2 ILE 27 15.090 6.901 -8.699 228 1HD1 ILE 27 1HD1 ILE 27 15.912 8.506 -10.034 229 2HD1 ILE 27 2HD1 ILE 27 17.626 8.298 -10.387 230 3HD1 ILE 27 3HD1 ILE 27 16.913 7.503 -8.983 231 H ASN 28 H ASN 28 18.290 6.530 -7.626 232 HA ASN 28 HA ASN 28 20.840 6.700 -9.026 233 1HB ASN 28 2HB ASN 28 19.473 8.169 -10.468 234 2HB ASN 28 1HB ASN 28 18.998 9.111 -9.052 235 1HD2 ASN 28 1HD2 ASN 28 20.269 10.933 -8.729 236 2HD2 ASN 28 2HD2 ASN 28 21.891 11.090 -9.198 237 H GLY 29 H GLY 29 18.631 8.210 -6.697 238 1HA GLY 29 2HA GLY 29 19.353 8.255 -4.315 239 2HA GLY 29 1HA GLY 29 20.988 8.587 -4.900 240 H GLU 30 H GLU 30 20.040 10.407 -6.986 241 HA GLU 30 HA GLU 30 19.451 12.747 -5.246 242 1HB GLU 30 2HB GLU 30 21.587 12.852 -6.492 243 2HB GLU 30 1HB GLU 30 20.698 12.672 -8.007 244 1HG GLU 30 2HG GLU 30 20.055 14.843 -8.011 245 2HG GLU 30 1HG GLU 30 19.640 14.807 -6.297 246 H LYS 31 H LYS 31 18.480 11.039 -8.167 247 HA LYS 31 HA LYS 31 16.398 13.010 -8.800 248 1HB LYS 31 2HB LYS 31 17.307 10.394 -9.975 249 2HB LYS 31 1HB LYS 31 15.732 11.050 -10.421 250 1HG LYS 31 2HG LYS 31 17.127 12.001 -12.041 251 2HG LYS 31 1HG LYS 31 17.064 13.271 -10.820 252 1HD LYS 31 2HD LYS 31 19.147 11.961 -9.829 253 2HD LYS 31 1HD LYS 31 19.300 11.400 -11.494 254 1HE LYS 31 2HE LYS 31 18.766 14.255 -11.396 255 2HE LYS 31 1HE LYS 31 20.213 13.845 -10.477 256 1HZ LYS 31 1HZ LYS 31 19.639 13.171 -13.308 257 2HZ LYS 31 2HZ LYS 31 20.956 12.546 -12.436 258 3HZ LYS 31 3HZ LYS 31 20.842 14.216 -12.727 259 H GLU 32 H GLU 32 16.670 9.930 -7.125 260 HA GLU 32 HA GLU 32 13.761 9.597 -6.945 261 1HB GLU 32 2HB GLU 32 14.306 7.679 -5.483 262 2HB GLU 32 1HB GLU 32 15.240 7.611 -6.978 263 1HG GLU 32 2HG GLU 32 16.844 7.177 -5.303 264 2HG GLU 32 1HG GLU 32 17.064 8.893 -5.645 265 H LEU 33 H LEU 33 16.223 11.255 -5.172 266 HA LEU 33 HA LEU 33 14.766 11.310 -2.653 267 1HB LEU 33 2HB LEU 33 16.483 12.669 -1.850 268 2HB LEU 33 1HB LEU 33 17.318 11.798 -3.134 269 HG LEU 33 HG LEU 33 16.472 13.822 -4.620 270 1HD1 LEU 33 1HD1 LEU 33 15.959 15.785 -3.520 271 2HD1 LEU 33 2HD1 LEU 33 16.902 15.356 -2.094 272 3HD1 LEU 33 3HD1 LEU 33 15.313 14.635 -2.349 273 1HD2 LEU 33 1HD2 LEU 33 18.867 13.098 -3.473 274 2HD2 LEU 33 2HD2 LEU 33 18.657 14.740 -2.866 275 3HD2 LEU 33 3HD2 LEU 33 18.664 14.437 -4.603 276 H GLU 34 H GLU 34 14.797 13.181 -5.607 277 HA GLU 34 HA GLU 34 13.399 15.481 -4.635 278 1HB GLU 34 2HB GLU 34 14.681 15.093 -6.874 279 2HB GLU 34 1HB GLU 34 13.148 14.427 -7.443 280 1HG GLU 34 2HG GLU 34 11.995 16.472 -7.025 281 2HG GLU 34 1HG GLU 34 13.355 17.109 -6.102 282 H LEU 35 H LEU 35 12.197 12.658 -6.527 283 HA LEU 35 HA LEU 35 9.493 13.292 -6.468 284 1HB LEU 35 2HB LEU 35 10.572 11.292 -7.624 285 2HB LEU 35 1HB LEU 35 10.566 10.486 -6.059 286 HG LEU 35 HG LEU 35 8.540 10.203 -7.790 287 1HD1 LEU 35 1HD1 LEU 35 8.100 10.586 -4.816 288 2HD1 LEU 35 2HD1 LEU 35 8.810 9.141 -5.535 289 3HD1 LEU 35 3HD1 LEU 35 7.140 9.580 -5.900 290 1HD2 LEU 35 1HD2 LEU 35 7.786 12.623 -6.122 291 2HD2 LEU 35 2HD2 LEU 35 6.682 11.716 -7.156 292 3HD2 LEU 35 3HD2 LEU 35 8.020 12.616 -7.868 293 H LEU 36 H LEU 36 11.218 11.278 -4.059 294 HA LEU 36 HA LEU 36 9.015 11.147 -2.262 295 1HB LEU 36 2HB LEU 36 11.307 9.825 -2.330 296 2HB LEU 36 1HB LEU 36 11.852 11.134 -1.276 297 HG LEU 36 HG LEU 36 10.921 9.173 -0.018 298 1HD1 LEU 36 1HD1 LEU 36 10.019 10.574 1.582 299 2HD1 LEU 36 2HD1 LEU 36 8.987 11.397 0.421 300 3HD1 LEU 36 3HD1 LEU 36 10.693 11.808 0.519 301 1HD2 LEU 36 1HD2 LEU 36 8.159 9.933 -0.653 302 2HD2 LEU 36 2HD2 LEU 36 8.873 8.328 -0.528 303 3HD2 LEU 36 3HD2 LEU 36 9.015 9.244 -2.028 304 H GLN 37 H GLN 37 11.400 13.570 -2.919 305 HA GLN 37 HA GLN 37 11.395 15.055 -0.538 306 1HB GLN 37 2HB GLN 37 12.650 15.469 -2.784 307 2HB GLN 37 1HB GLN 37 11.216 16.384 -3.243 308 1HG GLN 37 2HG GLN 37 11.492 17.882 -1.364 309 2HG GLN 37 1HG GLN 37 12.801 16.894 -0.713 310 1HE2 GLN 37 1HE2 GLN 37 14.240 16.367 -3.120 311 2HE2 GLN 37 2HE2 GLN 37 14.874 17.826 -3.708 312 H GLN 38 H GLN 38 8.850 14.465 -2.754 313 HA GLN 38 HA GLN 38 7.063 16.158 -1.117 314 1HB GLN 38 2HB GLN 38 7.680 16.504 -4.011 315 2HB GLN 38 1HB GLN 38 5.987 16.647 -3.539 316 1HG GLN 38 2HG GLN 38 6.571 18.814 -3.099 317 2HG GLN 38 1HG GLN 38 7.159 18.128 -1.583 318 1HE2 GLN 38 1HE2 GLN 38 8.452 18.243 -4.964 319 2HE2 GLN 38 2HE2 GLN 38 9.992 18.790 -4.505 320 H ILE 39 H ILE 39 7.637 13.145 -1.774 321 HA ILE 39 HA ILE 39 4.828 12.544 -2.514 322 HB ILE 39 HB ILE 39 7.314 11.044 -3.215 323 1HG1 ILE 39 2HG1 ILE 39 6.584 12.781 -4.774 324 2HG1 ILE 39 1HG1 ILE 39 6.233 11.200 -5.465 325 1HG2 ILE 39 1HG2 ILE 39 4.562 10.066 -2.716 326 2HG2 ILE 39 2HG2 ILE 39 6.081 9.171 -2.745 327 3HG2 ILE 39 3HG2 ILE 39 5.261 9.567 -4.256 328 1HD1 ILE 39 1HD1 ILE 39 3.959 11.829 -3.965 329 2HD1 ILE 39 2HD1 ILE 39 4.108 11.868 -5.721 330 3HD1 ILE 39 3HD1 ILE 39 4.399 13.331 -4.780 331 H ALA 40 H ALA 40 7.400 11.759 -0.210 332 HA ALA 40 HA ALA 40 5.817 9.552 0.946 333 1HB ALA 40 1HB ALA 40 8.268 9.496 1.196 334 2HB ALA 40 2HB ALA 40 7.490 9.564 2.771 335 3HB ALA 40 3HB ALA 40 8.217 11.014 2.086 336 H GLN 41 H GLN 41 5.705 12.864 1.012 337 HA GLN 41 HA GLN 41 4.515 12.946 3.722 338 1HB GLN 41 2HB GLN 41 5.066 15.318 1.972 339 2HB GLN 41 1HB GLN 41 4.996 15.252 3.735 340 1HG GLN 41 2HG GLN 41 7.106 14.225 3.909 341 2HG GLN 41 1HG GLN 41 7.062 13.630 2.260 342 1HE2 GLN 41 1HE2 GLN 41 8.967 14.605 1.498 343 2HE2 GLN 41 2HE2 GLN 41 9.175 16.281 1.400 344 H LYS 42 H LYS 42 3.721 12.816 0.454 345 HA LYS 42 HA LYS 42 0.909 13.472 1.173 346 1HB LYS 42 2HB LYS 42 0.712 14.493 -1.180 347 2HB LYS 42 1HB LYS 42 1.529 15.453 0.051 348 1HG LYS 42 2HG LYS 42 3.165 15.623 -1.522 349 2HG LYS 42 1HG LYS 42 3.626 14.027 -0.943 350 1HD LYS 42 2HD LYS 42 3.450 13.617 -3.218 351 2HD LYS 42 1HD LYS 42 1.819 13.209 -2.694 352 1HE LYS 42 2HE LYS 42 1.755 14.677 -4.673 353 2HE LYS 42 1HE LYS 42 1.063 15.491 -3.270 354 1HZ LYS 42 1HZ LYS 42 2.980 16.770 -2.982 355 2HZ LYS 42 2HZ LYS 42 2.711 16.793 -4.657 356 3HZ LYS 42 3HZ LYS 42 3.912 15.788 -4.002 357 HA PRO 43 HA PRO 43 1.546 9.723 -1.714 358 1HB PRO 43 2HB PRO 43 1.691 7.677 0.119 359 2HB PRO 43 1HB PRO 43 3.112 8.450 -0.603 360 1HG PRO 43 2HG PRO 43 1.946 8.832 2.131 361 2HG PRO 43 1HG PRO 43 3.637 8.915 1.605 362 1HD PRO 43 2HD PRO 43 2.063 11.162 2.099 363 2HD PRO 43 1HD PRO 43 3.493 11.129 1.052 364 H GLY 44 H GLY 44 0.143 8.875 1.478 365 1HA GLY 44 2HA GLY 44 -2.014 8.037 1.953 366 2HA GLY 44 1HA GLY 44 -2.537 9.470 1.059 367 H ALA 45 H ALA 45 -0.614 6.962 -0.418 368 HA ALA 45 HA ALA 45 -2.820 5.491 -1.569 369 1HB ALA 45 1HB ALA 45 -2.248 7.965 -2.787 370 2HB ALA 45 2HB ALA 45 -3.272 6.677 -3.422 371 3HB ALA 45 3HB ALA 45 -1.563 6.738 -3.851 372 H LEU 46 H LEU 46 0.620 6.271 -1.477 373 HA LEU 46 HA LEU 46 1.771 4.586 -3.311 374 1HB LEU 46 2HB LEU 46 3.405 5.580 -2.046 375 2HB LEU 46 1HB LEU 46 2.473 5.463 -0.562 376 HG LEU 46 HG LEU 46 4.610 4.082 -0.649 377 1HD1 LEU 46 1HD1 LEU 46 3.704 2.637 0.853 378 2HD1 LEU 46 2HD1 LEU 46 2.424 2.130 -0.246 379 3HD1 LEU 46 3HD1 LEU 46 2.272 3.646 0.640 380 1HD2 LEU 46 1HD2 LEU 46 4.945 2.736 -2.416 381 2HD2 LEU 46 2HD2 LEU 46 3.337 3.104 -3.038 382 3HD2 LEU 46 3HD2 LEU 46 3.561 1.771 -1.907 383 H ARG 47 H ARG 47 0.021 3.632 -0.406 384 HA ARG 47 HA ARG 47 0.690 0.950 -0.128 385 1HB ARG 47 2HB ARG 47 -1.795 2.525 0.280 386 2HB ARG 47 1HB ARG 47 -1.987 0.773 0.209 387 1HG ARG 47 2HG ARG 47 0.217 0.996 1.813 388 2HG ARG 47 1HG ARG 47 -0.689 2.438 2.272 389 1HD ARG 47 2HD ARG 47 -2.731 0.780 2.336 390 2HD ARG 47 1HD ARG 47 -1.476 -0.447 2.512 391 HE ARG 47 HE ARG 47 -0.726 1.285 4.441 392 1HH1 ARG 47 2HH1 ARG 47 -1.963 2.170 6.210 393 2HH1 ARG 47 1HH1 ARG 47 -3.456 1.388 6.608 394 1HH2 ARG 47 2HH2 ARG 47 -4.302 -0.196 5.233 395 2HH2 ARG 47 1HH2 ARG 47 -3.458 -0.625 3.782 396 H ILE 48 H ILE 48 -1.855 2.180 -2.340 397 HA ILE 48 HA ILE 48 -2.624 -0.203 -3.544 398 HB ILE 48 HB ILE 48 -2.181 2.498 -4.851 399 1HG1 ILE 48 2HG1 ILE 48 -4.565 1.127 -3.575 400 2HG1 ILE 48 1HG1 ILE 48 -3.802 2.638 -3.078 401 1HG2 ILE 48 1HG2 ILE 48 -3.671 0.039 -5.820 402 2HG2 ILE 48 2HG2 ILE 48 -2.262 0.784 -6.576 403 3HG2 ILE 48 3HG2 ILE 48 -3.806 1.636 -6.555 404 1HD1 ILE 48 1HD1 ILE 48 -5.379 2.125 -5.611 405 2HD1 ILE 48 2HD1 ILE 48 -4.416 3.579 -5.351 406 3HD1 ILE 48 3HD1 ILE 48 -5.788 3.230 -4.299 407 H LEU 49 H LEU 49 -0.222 1.918 -5.156 408 HA LEU 49 HA LEU 49 0.796 -0.230 -6.779 409 1HB LEU 49 2HB LEU 49 2.540 2.105 -6.002 410 2HB LEU 49 1HB LEU 49 2.465 1.246 -7.533 411 HG LEU 49 HG LEU 49 1.377 3.186 -8.120 412 1HD1 LEU 49 1HD1 LEU 49 -0.258 1.009 -7.846 413 2HD1 LEU 49 2HD1 LEU 49 -0.708 2.511 -8.652 414 3HD1 LEU 49 3HD1 LEU 49 -1.156 2.246 -6.967 415 1HD2 LEU 49 1HD2 LEU 49 1.288 3.584 -5.344 416 2HD2 LEU 49 2HD2 LEU 49 -0.390 3.694 -5.878 417 3HD2 LEU 49 3HD2 LEU 49 0.834 4.743 -6.593 418 H ASN 50 H ASN 50 1.179 0.473 -3.491 419 HA ASN 50 HA ASN 50 3.865 -0.329 -3.006 420 1HB ASN 50 2HB ASN 50 2.158 0.705 -1.349 421 2HB ASN 50 1HB ASN 50 1.608 -0.947 -1.101 422 1HD2 ASN 50 1HD2 ASN 50 4.965 0.242 -1.649 423 2HD2 ASN 50 2HD2 ASN 50 5.577 -0.369 -0.189 424 H HIS 51 H HIS 51 0.962 -2.144 -3.670 425 HA HIS 51 HA HIS 51 1.493 -4.665 -2.660 426 1HB HIS 51 2HB HIS 51 -0.472 -4.163 -4.060 427 2HB HIS 51 1HB HIS 51 0.565 -3.965 -5.472 428 HD1 HIS 51 HD1 HIS 51 0.025 -6.691 -2.841 429 HD2 HIS 51 HD2 HIS 51 0.619 -6.273 -6.942 430 HE1 HIS 51 HE1 HIS 51 -0.060 -9.024 -3.817 431 H SER 52 H SER 52 3.188 -2.931 -5.187 432 HA SER 52 HA SER 52 5.259 -5.052 -5.122 433 1HB SER 52 2HB SER 52 3.613 -4.838 -7.227 434 2HB SER 52 1HB SER 52 4.797 -3.627 -7.689 435 HG SER 52 HG SER 52 6.316 -5.467 -6.961 436 H LEU 53 H LEU 53 4.475 -1.865 -4.575 437 HA LEU 53 HA LEU 53 7.003 -0.726 -5.534 438 1HB LEU 53 2HB LEU 53 4.478 0.380 -4.823 439 2HB LEU 53 1HB LEU 53 5.654 1.018 -3.680 440 HG LEU 53 HG LEU 53 6.988 1.960 -5.401 441 1HD1 LEU 53 1HD1 LEU 53 5.470 0.061 -7.167 442 2HD1 LEU 53 2HD1 LEU 53 7.209 0.247 -6.987 443 3HD1 LEU 53 3HD1 LEU 53 6.281 1.467 -7.852 444 1HD2 LEU 53 1HD2 LEU 53 4.392 2.746 -5.123 445 2HD2 LEU 53 2HD2 LEU 53 4.446 2.397 -6.851 446 3HD2 LEU 53 3HD2 LEU 53 5.560 3.573 -6.154 447 H ARG 54 H ARG 54 5.786 -2.309 -2.800 448 HA ARG 54 HA ARG 54 7.359 -1.257 -0.708 449 1HB ARG 54 2HB ARG 54 5.716 -3.051 -0.329 450 2HB ARG 54 1HB ARG 54 6.655 -4.153 -1.337 451 1HG ARG 54 2HG ARG 54 7.212 -4.666 0.946 452 2HG ARG 54 1HG ARG 54 8.592 -3.800 0.270 453 1HD ARG 54 2HD ARG 54 8.014 -1.784 1.380 454 2HD ARG 54 1HD ARG 54 6.385 -2.356 1.740 455 HE ARG 54 HE ARG 54 8.349 -4.064 2.979 456 1HH1 ARG 54 2HH1 ARG 54 5.837 -2.008 3.616 457 2HH1 ARG 54 1HH1 ARG 54 6.447 -1.410 5.123 458 1HH2 ARG 54 1HH2 ARG 54 9.573 -2.856 4.737 459 2HH2 ARG 54 2HH2 ARG 54 8.560 -1.891 5.759 460 H LEU 55 H LEU 55 8.189 -2.955 -3.610 461 HA LEU 55 HA LEU 55 10.741 -4.018 -2.958 462 1HB LEU 55 2HB LEU 55 9.145 -3.618 -5.308 463 2HB LEU 55 1HB LEU 55 10.784 -3.049 -5.634 464 HG LEU 55 HG LEU 55 10.397 -5.517 -6.091 465 1HD1 LEU 55 1HD1 LEU 55 12.642 -5.415 -5.900 466 2HD1 LEU 55 2HD1 LEU 55 12.448 -5.897 -4.214 467 3HD1 LEU 55 3HD1 LEU 55 12.532 -4.187 -4.639 468 1HD2 LEU 55 1HD2 LEU 55 10.627 -5.936 -3.135 469 2HD2 LEU 55 2HD2 LEU 55 9.932 -6.995 -4.362 470 3HD2 LEU 55 3HD2 LEU 55 9.034 -5.584 -3.803 471 H ALA 56 H ALA 56 9.776 -0.814 -4.143 472 HA ALA 56 HA ALA 56 11.925 0.596 -4.827 473 1HB ALA 56 1HB ALA 56 11.176 2.506 -3.458 474 2HB ALA 56 2HB ALA 56 10.186 1.422 -2.482 475 3HB ALA 56 3HB ALA 56 9.801 1.673 -4.185 476 H ALA 57 H ALA 57 11.439 -0.546 -1.489 477 HA ALA 57 HA ALA 57 14.230 0.269 -0.839 478 1HB ALA 57 1HB ALA 57 11.954 -0.657 0.945 479 2HB ALA 57 2HB ALA 57 12.525 1.002 0.764 480 3HB ALA 57 3HB ALA 57 13.562 -0.210 1.515 481 H MET 58 H MET 58 12.088 -2.517 -1.124 482 HA MET 58 HA MET 58 13.696 -4.517 0.062 483 1HB MET 58 2HB MET 58 11.315 -4.499 -1.267 484 2HB MET 58 1HB MET 58 12.358 -5.279 -2.458 485 1HG MET 58 2HG MET 58 13.020 -6.974 -0.873 486 2HG MET 58 1HG MET 58 12.213 -6.128 0.446 487 1HE MET 58 1HE MET 58 11.819 -9.203 -0.316 488 2HE MET 58 2HE MET 58 12.116 -8.815 -2.009 489 3HE MET 58 3HE MET 58 10.591 -9.561 -1.537 490 H THR 59 H THR 59 15.895 -4.373 -0.381 491 HA THR 59 HA THR 59 16.713 -4.442 -3.247 492 HB THR 59 HB THR 59 17.775 -2.697 -1.860 493 HG1 THR 59 HG1 THR 59 19.813 -4.562 -2.155 494 1HG2 THR 59 1HG2 THR 59 17.590 -3.874 0.305 495 2HG2 THR 59 2HG2 THR 59 19.243 -3.341 0.003 496 3HG2 THR 59 3HG2 THR 59 18.806 -5.034 -0.229 497 H ALA 60 H ALA 60 15.649 -6.698 -1.464 498 HA ALA 60 HA ALA 60 17.957 -8.554 -1.890 499 1HB ALA 60 1HB ALA 60 17.537 -8.242 0.509 500 2HB ALA 60 2HB ALA 60 17.087 -9.876 0.022 501 3HB ALA 60 3HB ALA 60 15.839 -8.658 0.280 502 H HIS 61 H HIS 61 15.042 -7.709 -3.095 503 HA HIS 61 HA HIS 61 13.409 -9.940 -3.308 504 1HB HIS 61 2HB HIS 61 13.092 -7.639 -4.377 505 2HB HIS 61 1HB HIS 61 14.103 -8.223 -5.698 506 HD1 HIS 61 HD1 HIS 61 12.399 -11.111 -4.583 507 HD2 HIS 61 HD2 HIS 61 11.240 -7.818 -6.862 508 HE1 HIS 61 HE1 HIS 61 10.325 -11.814 -5.855 509 H GLY 62 H GLY 62 14.746 -11.820 -3.257 510 1HA GLY 62 2HA GLY 62 16.663 -12.349 -5.392 511 2HA GLY 62 1HA GLY 62 16.136 -13.504 -4.167 512 H LYS 63 H LYS 63 15.135 -11.956 -7.207 513 HA LYS 63 HA LYS 63 14.155 -14.387 -8.328 514 1HB LYS 63 2HB LYS 63 12.389 -14.162 -6.618 515 2HB LYS 63 1HB LYS 63 12.004 -12.552 -7.229 516 1HG LYS 63 2HG LYS 63 10.950 -13.363 -9.094 517 2HG LYS 63 1HG LYS 63 12.046 -14.737 -9.241 518 1HD LYS 63 2HD LYS 63 10.931 -15.826 -7.322 519 2HD LYS 63 1HD LYS 63 9.822 -14.459 -7.197 520 1HE LYS 63 2HE LYS 63 9.974 -15.575 -9.907 521 2HE LYS 63 1HE LYS 63 9.384 -16.731 -8.712 522 1HZ LYS 63 1HZ LYS 63 7.494 -15.603 -8.449 523 2HZ LYS 63 2HZ LYS 63 7.887 -14.831 -9.909 524 3HZ LYS 63 3HZ LYS 63 8.269 -14.095 -8.427 525 H GLY 64 H GLY 64 13.876 -10.853 -8.216 526 1HA GLY 64 2HA GLY 64 14.571 -10.609 -10.999 527 2HA GLY 64 1HA GLY 64 12.838 -10.362 -10.781 528 H GLU 65 H GLU 65 15.921 -8.912 -10.529 529 HA GLU 65 HA GLU 65 14.714 -6.336 -9.871 530 1HB GLU 65 2HB GLU 65 16.418 -6.071 -7.911 531 2HB GLU 65 1HB GLU 65 14.913 -6.940 -7.607 532 1HG GLU 65 2HG GLU 65 16.014 -8.860 -7.184 533 2HG GLU 65 1HG GLU 65 16.963 -8.713 -8.663 534 H ARG 66 H ARG 66 15.717 -5.148 -11.432 535 HA ARG 66 HA ARG 66 18.273 -5.812 -12.559 536 1HB ARG 66 2HB ARG 66 16.225 -4.118 -13.258 537 2HB ARG 66 1HB ARG 66 17.467 -2.981 -12.734 538 1HG ARG 66 2HG ARG 66 18.485 -3.258 -14.720 539 2HG ARG 66 1HG ARG 66 18.803 -4.935 -14.276 540 1HD ARG 66 2HD ARG 66 16.371 -5.384 -15.061 541 2HD ARG 66 1HD ARG 66 16.497 -3.819 -15.865 542 HE ARG 66 HE ARG 66 18.556 -5.902 -16.412 543 1HH1 ARG 66 2HH1 ARG 66 18.566 -3.375 -17.964 544 2HH1 ARG 66 1HH1 ARG 66 17.689 -3.803 -19.395 545 1HH2 ARG 66 1HH2 ARG 66 16.308 -6.668 -18.009 546 2HH2 ARG 66 2HH2 ARG 66 16.409 -5.669 -19.421 547 H VAL 67 H VAL 67 19.338 -3.024 -12.494 548 HA VAL 67 HA VAL 67 20.087 -2.673 -9.653 549 HB VAL 67 HB VAL 67 21.701 -4.326 -10.699 550 1HG1 VAL 67 1HG1 VAL 67 23.129 -3.673 -12.442 551 2HG1 VAL 67 2HG1 VAL 67 22.828 -1.957 -12.174 552 3HG1 VAL 67 3HG1 VAL 67 21.591 -2.962 -12.927 553 1HG2 VAL 67 1HG2 VAL 67 23.296 -1.880 -10.125 554 2HG2 VAL 67 2HG2 VAL 67 23.401 -3.486 -9.404 555 3HG2 VAL 67 3HG2 VAL 67 22.140 -2.369 -8.886 556 H ASN 68 H ASN 68 18.545 -1.010 -11.366 557 HA ASN 68 HA ASN 68 19.899 1.494 -11.038 558 1HB ASN 68 2HB ASN 68 20.765 0.141 -13.298 559 2HB ASN 68 1HB ASN 68 19.523 1.224 -13.931 560 1HD2 ASN 68 1HD2 ASN 68 22.709 1.224 -13.769 561 2HD2 ASN 68 2HD2 ASN 68 23.039 2.831 -13.332 562 H GLU 69 H GLU 69 18.617 2.980 -13.056 563 HA GLU 69 HA GLU 69 16.092 3.495 -12.031 564 1HB GLU 69 2HB GLU 69 15.515 4.373 -14.337 565 2HB GLU 69 1HB GLU 69 17.032 4.986 -13.677 566 1HG GLU 69 2HG GLU 69 18.046 4.249 -15.550 567 2HG GLU 69 1HG GLU 69 17.724 2.606 -14.993 568 H ASP 70 H ASP 70 16.973 1.003 -14.398 569 HA ASP 70 HA ASP 70 14.257 0.232 -14.987 570 1HB ASP 70 2HB ASP 70 16.550 -1.706 -15.055 571 2HB ASP 70 1HB ASP 70 15.164 -1.586 -16.141 572 H TYR 71 H TYR 71 16.718 -1.141 -12.786 573 HA TYR 71 HA TYR 71 15.663 -3.276 -11.565 574 1HB TYR 71 2HB TYR 71 17.500 -2.324 -10.435 575 2HB TYR 71 1HB TYR 71 16.707 -0.761 -10.277 576 HD1 TYR 71 HD1 TYR 71 16.141 -0.210 -8.138 577 HD2 TYR 71 HD2 TYR 71 15.844 -4.315 -9.357 578 HE1 TYR 71 HE1 TYR 71 15.280 -0.803 -5.889 579 HE2 TYR 71 HE2 TYR 71 14.986 -4.913 -7.102 580 HH TYR 71 HH TYR 71 13.832 -2.678 -4.922 581 H LEU 72 H LEU 72 14.471 -0.024 -10.860 582 HA LEU 72 HA LEU 72 12.492 -0.695 -9.041 583 1HB LEU 72 2HB LEU 72 12.133 1.410 -11.157 584 2HB LEU 72 1HB LEU 72 11.488 1.397 -9.516 585 HG LEU 72 HG LEU 72 14.359 1.739 -10.369 586 1HD1 LEU 72 1HD1 LEU 72 14.057 3.744 -8.870 587 2HD1 LEU 72 2HD1 LEU 72 12.344 3.342 -8.793 588 3HD1 LEU 72 3HD1 LEU 72 13.082 3.770 -10.337 589 1HD2 LEU 72 1HD2 LEU 72 13.384 1.517 -7.529 590 2HD2 LEU 72 2HD2 LEU 72 15.040 1.493 -8.110 591 3HD2 LEU 72 3HD2 LEU 72 13.990 0.113 -8.397 592 H ARG 73 H ARG 73 11.982 -0.239 -12.525 593 HA ARG 73 HA ARG 73 9.290 -1.244 -12.435 594 1HB ARG 73 2HB ARG 73 11.270 -0.595 -14.524 595 2HB ARG 73 1HB ARG 73 10.172 -1.900 -14.974 596 1HG ARG 73 2HG ARG 73 8.277 -0.547 -14.804 597 2HG ARG 73 1HG ARG 73 9.068 0.594 -13.717 598 1HD ARG 73 2HD ARG 73 8.689 1.073 -16.365 599 2HD ARG 73 1HD ARG 73 10.003 1.781 -15.428 600 HE ARG 73 HE ARG 73 10.510 -0.819 -16.772 601 1HH1 ARG 73 2HH1 ARG 73 12.735 -0.751 -17.429 602 2HH1 ARG 73 1HH1 ARG 73 13.343 0.745 -18.057 603 1HH2 ARG 73 2HH2 ARG 73 12.091 2.620 -17.920 604 2HH2 ARG 73 1HH2 ARG 73 10.520 2.563 -17.192 605 H GLN 74 H GLN 74 12.387 -2.877 -13.127 606 HA GLN 74 HA GLN 74 11.214 -5.442 -13.578 607 1HB GLN 74 2HB GLN 74 13.686 -4.597 -13.991 608 2HB GLN 74 1HB GLN 74 13.939 -5.098 -12.327 609 1HG GLN 74 2HG GLN 74 14.458 -7.078 -13.396 610 2HG GLN 74 1HG GLN 74 12.729 -7.312 -13.148 611 1HE2 GLN 74 1HE2 GLN 74 13.053 -8.790 -15.146 612 2HE2 GLN 74 2HE2 GLN 74 12.938 -8.061 -16.676 613 H ALA 75 H ALA 75 11.485 -3.555 -10.835 614 HA ALA 75 HA ALA 75 11.604 -5.763 -8.914 615 1HB ALA 75 1HB ALA 75 11.992 -2.881 -8.921 616 2HB ALA 75 2HB ALA 75 12.497 -4.056 -7.707 617 3HB ALA 75 3HB ALA 75 10.883 -3.348 -7.632 618 H PHE 76 H PHE 76 9.368 -3.073 -9.541 619 HA PHE 76 HA PHE 76 7.145 -4.658 -8.432 620 1HB PHE 76 2HB PHE 76 6.283 -2.661 -7.760 621 2HB PHE 76 1HB PHE 76 7.909 -2.070 -8.037 622 HD1 PHE 76 HD1 PHE 76 8.184 -1.870 -10.890 623 HD2 PHE 76 HD2 PHE 76 4.749 -1.079 -8.444 624 HE1 PHE 76 HE1 PHE 76 7.295 -0.347 -12.624 625 HE2 PHE 76 HE2 PHE 76 3.857 0.450 -10.172 626 HZ PHE 76 HZ PHE 76 5.133 0.804 -12.282 627 H ARG 77 H ARG 77 8.353 -5.006 -11.236 628 HA ARG 77 HA ARG 77 5.735 -4.925 -12.641 629 1HB ARG 77 2HB ARG 77 7.883 -3.121 -13.204 630 2HB ARG 77 1HB ARG 77 7.740 -4.227 -14.555 631 1HG ARG 77 2HG ARG 77 5.515 -2.555 -13.362 632 2HG ARG 77 1HG ARG 77 6.262 -2.339 -14.945 633 1HD ARG 77 2HD ARG 77 5.313 -5.068 -14.569 634 2HD ARG 77 1HD ARG 77 4.010 -3.894 -14.389 635 HE ARG 77 HE ARG 77 4.219 -3.380 -16.692 636 1HH1 ARG 77 2HH1 ARG 77 5.126 -6.257 -16.961 637 2HH1 ARG 77 1HH1 ARG 77 6.578 -6.077 -17.888 638 1HH2 ARG 77 1HH2 ARG 77 6.867 -2.677 -17.269 639 2HH2 ARG 77 2HH2 ARG 77 7.563 -4.051 -18.061 640 H GLU 78 H GLU 78 9.073 -6.080 -12.542 641 HA GLU 78 HA GLU 78 8.937 -7.938 -14.674 642 1HB GLU 78 2HB GLU 78 10.995 -8.638 -13.931 643 2HB GLU 78 1HB GLU 78 10.882 -7.162 -12.987 644 1HG GLU 78 2HG GLU 78 11.407 -8.655 -11.298 645 2HG GLU 78 1HG GLU 78 9.648 -8.782 -11.262 646 H LEU 79 H LEU 79 7.243 -7.944 -11.702 647 HA LEU 79 HA LEU 79 6.817 -10.886 -11.840 648 1HB LEU 79 2HB LEU 79 6.067 -8.862 -9.719 649 2HB LEU 79 1HB LEU 79 5.715 -10.585 -9.627 650 HG LEU 79 HG LEU 79 8.382 -10.639 -10.205 651 1HD1 LEU 79 1HD1 LEU 79 9.546 -8.872 -9.293 652 2HD1 LEU 79 2HD1 LEU 79 8.288 -8.517 -8.110 653 3HD1 LEU 79 3HD1 LEU 79 8.090 -8.006 -9.787 654 1HD2 LEU 79 1HD2 LEU 79 6.888 -11.662 -8.293 655 2HD2 LEU 79 2HD2 LEU 79 7.506 -10.307 -7.347 656 3HD2 LEU 79 3HD2 LEU 79 8.624 -11.484 -8.036 657 H ASP 80 H ASP 80 4.623 -8.200 -10.911 658 HA ASP 80 HA ASP 80 2.858 -8.370 -13.107 659 1HB ASP 80 2HB ASP 80 1.087 -9.840 -11.885 660 2HB ASP 80 1HB ASP 80 2.407 -10.638 -12.752 661 H LEU 81 H LEU 81 2.718 -8.403 -9.543 662 HA LEU 81 HA LEU 81 1.917 -6.739 -8.107 663 1HB LEU 81 2HB LEU 81 0.695 -5.283 -10.440 664 2HB LEU 81 1HB LEU 81 1.238 -4.651 -8.894 665 HG LEU 81 HG LEU 81 2.848 -5.327 -11.320 666 1HD1 LEU 81 1HD1 LEU 81 2.076 -3.006 -10.165 667 2HD1 LEU 81 2HD1 LEU 81 3.564 -3.169 -11.098 668 3HD1 LEU 81 3HD1 LEU 81 3.613 -3.258 -9.337 669 1HD2 LEU 81 1HD2 LEU 81 3.574 -6.044 -8.556 670 2HD2 LEU 81 2HD2 LEU 81 4.754 -5.010 -9.349 671 3HD2 LEU 81 3HD2 LEU 81 4.306 -6.551 -10.074 672 H ASP 82 H ASP 82 0.595 -9.125 -8.737 673 HA ASP 82 HA ASP 82 -2.184 -8.290 -8.226 674 1HB ASP 82 2HB ASP 82 -3.157 -9.651 -9.915 675 2HB ASP 82 1HB ASP 82 -1.858 -8.768 -10.717 676 H VAL 83 H VAL 83 0.274 -10.774 -8.130 677 HA VAL 83 HA VAL 83 -1.002 -11.890 -5.740 678 HB VAL 83 HB VAL 83 -0.574 -13.567 -8.228 679 1HG1 VAL 83 1HG1 VAL 83 -0.285 -14.357 -5.585 680 2HG1 VAL 83 2HG1 VAL 83 -0.664 -15.424 -6.938 681 3HG1 VAL 83 3HG1 VAL 83 -1.963 -14.765 -5.945 682 1HG2 VAL 83 1HG2 VAL 83 -3.048 -13.951 -7.954 683 2HG2 VAL 83 2HG2 VAL 83 -2.631 -12.284 -8.351 684 3HG2 VAL 83 3HG2 VAL 83 -3.049 -12.718 -6.694 685 H ASP 84 H ASP 84 1.560 -12.492 -8.153 686 HA ASP 84 HA ASP 84 3.364 -13.929 -6.607 687 1HB ASP 84 2HB ASP 84 3.881 -11.709 -8.598 688 2HB ASP 84 1HB ASP 84 5.172 -12.682 -7.896 689 H ILE 85 H ILE 85 3.538 -10.372 -6.911 690 HA ILE 85 HA ILE 85 5.304 -9.997 -4.724 691 HB ILE 85 HB ILE 85 3.507 -7.771 -4.723 692 1HG1 ILE 85 2HG1 ILE 85 2.759 -8.741 -6.955 693 2HG1 ILE 85 1HG1 ILE 85 3.429 -7.110 -7.033 694 1HG2 ILE 85 1HG2 ILE 85 6.289 -8.397 -5.036 695 2HG2 ILE 85 2HG2 ILE 85 5.549 -6.870 -4.555 696 3HG2 ILE 85 3HG2 ILE 85 5.823 -7.218 -6.262 697 1HD1 ILE 85 1HD1 ILE 85 4.332 -9.425 -8.424 698 2HD1 ILE 85 2HD1 ILE 85 5.589 -8.977 -7.270 699 3HD1 ILE 85 3HD1 ILE 85 5.021 -7.802 -8.457 700 H SER 86 H SER 86 1.860 -10.565 -4.792 701 HA SER 86 HA SER 86 1.093 -9.666 -2.261 702 1HB SER 86 2HB SER 86 -0.215 -10.945 -4.211 703 2HB SER 86 1HB SER 86 0.101 -12.334 -3.177 704 HG SER 86 HG SER 86 -1.434 -10.039 -2.712 705 H THR 87 H THR 87 0.859 -10.873 -0.289 706 HA THR 87 HA THR 87 3.149 -12.722 0.189 707 HB THR 87 HB THR 87 1.412 -11.155 2.130 708 HG1 THR 87 HG1 THR 87 3.497 -10.128 2.483 709 1HG2 THR 87 1HG2 THR 87 2.034 -12.948 3.440 710 2HG2 THR 87 2HG2 THR 87 3.471 -11.942 3.629 711 3HG2 THR 87 3HG2 THR 87 3.478 -13.282 2.482 712 H LEU 88 H LEU 88 0.571 -13.346 -1.108 713 HA LEU 88 HA LEU 88 -0.491 -15.312 0.867 714 1HB LEU 88 2HB LEU 88 -2.194 -14.722 -1.444 715 2HB LEU 88 1HB LEU 88 -2.590 -14.723 0.269 716 HG LEU 88 HG LEU 88 -1.059 -12.486 -1.064 717 1HD1 LEU 88 1HD1 LEU 88 -3.237 -12.526 -2.094 718 2HD1 LEU 88 2HD1 LEU 88 -3.259 -11.250 -0.877 719 3HD1 LEU 88 3HD1 LEU 88 -4.025 -12.802 -0.540 720 1HD2 LEU 88 1HD2 LEU 88 -1.483 -13.173 1.625 721 2HD2 LEU 88 2HD2 LEU 88 -2.634 -11.876 1.305 722 3HD2 LEU 88 3HD2 LEU 88 -0.912 -11.619 1.017 723 H LEU 89 H LEU 89 1.152 -16.850 0.161 724 HA LEU 89 HA LEU 89 0.320 -18.775 -1.658 725 1HB LEU 89 2HB LEU 89 2.026 -18.281 -3.552 726 2HB LEU 89 1HB LEU 89 0.497 -17.412 -3.558 727 HG LEU 89 HG LEU 89 1.952 -15.708 -2.050 728 1HD1 LEU 89 1HD1 LEU 89 3.955 -17.226 -2.295 729 2HD1 LEU 89 2HD1 LEU 89 4.226 -15.571 -2.842 730 3HD1 LEU 89 3HD1 LEU 89 3.946 -16.854 -4.019 731 1HD2 LEU 89 1HD2 LEU 89 0.694 -15.288 -4.206 732 2HD2 LEU 89 2HD2 LEU 89 2.147 -15.786 -5.073 733 3HD2 LEU 89 3HD2 LEU 89 2.182 -14.357 -4.040 734 H ARG 90 H ARG 90 1.808 -20.483 -1.796 735 HA ARG 90 HA ARG 90 4.575 -20.383 -1.256 736 1HB ARG 90 2HB ARG 90 3.376 -19.575 1.006 737 2HB ARG 90 1HB ARG 90 3.274 -21.313 1.262 738 1HG ARG 90 2HG ARG 90 5.865 -20.970 0.338 739 2HG ARG 90 1HG ARG 90 5.613 -19.553 1.358 740 1HD ARG 90 2HD ARG 90 4.747 -21.106 3.153 741 2HD ARG 90 1HD ARG 90 5.268 -22.458 2.147 742 HE ARG 90 HE ARG 90 7.003 -20.766 3.736 743 1HH1 ARG 90 2HH1 ARG 90 7.684 -20.607 0.691 744 2HH1 ARG 90 1HH1 ARG 90 8.945 -21.789 0.609 745 1HH2 ARG 90 1HH2 ARG 90 8.222 -23.164 3.709 746 2HH2 ARG 90 2HH2 ARG 90 9.249 -23.238 2.317 747 H ASN 91 HN ASN 91 5.064 -22.717 0.095 748 HA ASN 91 HA ASN 91 3.663 -24.704 -1.625 749 1HB ASN 91 2HB ASN 91 5.567 -26.195 -1.050 750 2HB ASN 91 1HB ASN 91 6.114 -24.687 -1.784 751 1HD2 ASN 91 1HD2 ASN 91 5.975 -26.501 1.255 752 2HD2 ASN 91 2HD2 ASN 91 7.044 -25.496 2.108 Start of MODEL 12 1 1H GLY 1 1H GLY 1 -16.940 19.645 -0.047 2 2H GLY 1 2H GLY 1 -15.685 18.614 -0.545 3 3H GLY 1 3H GLY 1 -17.191 17.967 -0.104 4 1HA GLY 1 1HA GLY 1 -18.155 18.782 -2.075 5 2HA GLY 1 2HA GLY 1 -16.815 19.923 -2.404 6 H SER 2 H SER 2 -15.910 18.561 -4.163 7 HA SER 2 HA SER 2 -17.025 15.811 -4.548 8 1HB SER 2 2HB SER 2 -17.264 17.951 -6.253 9 2HB SER 2 1HB SER 2 -15.830 17.149 -6.887 10 HG SER 2 HG SER 2 -17.003 15.288 -7.146 11 H ARG 3 H ARG 3 -15.003 15.552 -2.967 12 HA ARG 3 HA ARG 3 -12.482 15.404 -4.536 13 1HB ARG 3 2HB ARG 3 -13.159 15.364 -1.610 14 2HB ARG 3 1HB ARG 3 -11.644 14.641 -2.153 15 1HG ARG 3 2HG ARG 3 -10.742 16.658 -2.774 16 2HG ARG 3 1HG ARG 3 -12.304 17.329 -3.246 17 1HD ARG 3 2HD ARG 3 -11.767 18.530 -1.290 18 2HD ARG 3 1HD ARG 3 -12.855 17.269 -0.709 19 HE ARG 3 HE ARG 3 -9.880 17.012 -0.507 20 1HH1 ARG 3 2HH1 ARG 3 -11.533 18.235 1.762 21 2HH1 ARG 3 1HH1 ARG 3 -11.743 16.858 2.792 22 1HH2 ARG 3 1HH2 ARG 3 -10.822 14.564 0.358 23 2HH2 ARG 3 2HH2 ARG 3 -11.342 14.779 1.997 24 H ILE 4 H ILE 4 -14.791 13.557 -4.933 25 HA ILE 4 HA ILE 4 -13.465 11.005 -4.114 26 HB ILE 4 HB ILE 4 -15.935 10.195 -4.843 27 1HG1 ILE 4 2HG1 ILE 4 -17.566 11.843 -3.903 28 2HG1 ILE 4 1HG1 ILE 4 -16.254 13.013 -3.763 29 1HG2 ILE 4 1HG2 ILE 4 -15.604 9.472 -2.731 30 2HG2 ILE 4 2HG2 ILE 4 -16.306 10.998 -2.192 31 3HG2 ILE 4 3HG2 ILE 4 -14.556 10.841 -2.359 32 1HD1 ILE 4 1HD1 ILE 4 -17.346 11.773 -6.299 33 2HD1 ILE 4 2HD1 ILE 4 -15.849 12.705 -6.246 34 3HD1 ILE 4 3HD1 ILE 4 -17.383 13.474 -5.837 35 H ALA 5 H ALA 5 -13.511 12.966 -6.646 36 HA ALA 5 HA ALA 5 -14.219 11.048 -8.756 37 1HB ALA 5 1HB ALA 5 -13.216 12.911 -10.229 38 2HB ALA 5 2HB ALA 5 -13.109 13.856 -8.744 39 3HB ALA 5 3HB ALA 5 -14.680 13.304 -9.327 40 H LYS 6 H LYS 6 -11.208 12.872 -8.062 41 HA LYS 6 HA LYS 6 -9.691 10.587 -9.223 42 1HB LYS 6 2HB LYS 6 -7.858 12.131 -9.508 43 2HB LYS 6 1HB LYS 6 -9.316 12.934 -10.093 44 1HG LYS 6 2HG LYS 6 -9.548 14.112 -7.947 45 2HG LYS 6 1HG LYS 6 -8.114 13.290 -7.330 46 1HD LYS 6 2HD LYS 6 -6.760 14.317 -9.131 47 2HD LYS 6 1HD LYS 6 -8.194 15.163 -9.716 48 1HE LYS 6 2HE LYS 6 -8.328 15.975 -7.191 49 2HE LYS 6 1HE LYS 6 -6.598 15.632 -7.225 50 1HZ LYS 6 1HZ LYS 6 -8.016 17.349 -9.191 51 2HZ LYS 6 2HZ LYS 6 -6.339 17.089 -9.093 52 3HZ LYS 6 3HZ LYS 6 -7.145 17.932 -7.857 53 H ARG 7 H ARG 7 -7.279 10.787 -8.005 54 HA ARG 7 HA ARG 7 -7.784 9.635 -5.401 55 1HB ARG 7 2HB ARG 7 -5.308 9.576 -5.209 56 2HB ARG 7 1HB ARG 7 -5.863 8.917 -6.748 57 1HG ARG 7 2HG ARG 7 -5.498 11.240 -7.732 58 2HG ARG 7 1HG ARG 7 -4.671 11.650 -6.229 59 1HD ARG 7 2HD ARG 7 -2.933 10.937 -7.672 60 2HD ARG 7 1HD ARG 7 -3.252 9.537 -6.647 61 HE ARG 7 HE ARG 7 -4.637 9.691 -9.271 62 1HH1 ARG 7 2HH1 ARG 7 -4.720 7.573 -10.151 63 2HH1 ARG 7 1HH1 ARG 7 -3.414 6.487 -9.811 64 1HH2 ARG 7 2HH2 ARG 7 -1.809 7.078 -8.331 65 2HH2 ARG 7 1HH2 ARG 7 -1.885 8.616 -7.539 66 H THR 8 H THR 8 -6.760 10.499 -3.381 67 HA THR 8 HA THR 8 -7.494 13.298 -3.022 68 HB THR 8 HB THR 8 -6.001 12.334 -0.787 69 HG1 THR 8 HG1 THR 8 -6.263 10.263 -1.533 70 1HG2 THR 8 1HG2 THR 8 -8.401 13.621 -1.331 71 2HG2 THR 8 2HG2 THR 8 -7.814 13.164 0.269 72 3HG2 THR 8 3HG2 THR 8 -8.905 12.092 -0.610 73 H ALA 9 H ALA 9 -4.433 11.605 -2.251 74 HA ALA 9 HA ALA 9 -2.986 14.153 -2.621 75 1HB ALA 9 1HB ALA 9 -1.653 13.271 -1.041 76 2HB ALA 9 2HB ALA 9 -1.215 11.964 -2.142 77 3HB ALA 9 3HB ALA 9 -2.603 11.786 -1.068 78 H ILE 10 H ILE 10 -0.614 13.534 -3.694 79 HA ILE 10 HA ILE 10 -1.346 12.505 -6.397 80 HB ILE 10 HB ILE 10 0.966 14.287 -5.584 81 1HG1 ILE 10 2HG1 ILE 10 -1.339 15.193 -7.261 82 2HG1 ILE 10 1HG1 ILE 10 -1.581 15.075 -5.518 83 1HG2 ILE 10 1HG2 ILE 10 0.428 12.750 -7.940 84 2HG2 ILE 10 2HG2 ILE 10 1.765 13.860 -7.643 85 3HG2 ILE 10 3HG2 ILE 10 0.259 14.459 -8.341 86 1HD1 ILE 10 1HD1 ILE 10 -0.749 17.333 -6.373 87 2HD1 ILE 10 2HD1 ILE 10 0.778 16.526 -6.731 88 3HD1 ILE 10 3HD1 ILE 10 0.193 16.609 -5.069 89 H ASN 11 H ASN 11 -0.569 10.749 -4.137 90 HA ASN 11 HA ASN 11 2.106 9.906 -4.163 91 1HB ASN 11 2HB ASN 11 0.682 8.751 -2.667 92 2HB ASN 11 1HB ASN 11 -0.479 8.352 -3.928 93 1HD2 ASN 11 1HD2 ASN 11 2.904 7.674 -2.909 94 2HD2 ASN 11 2HD2 ASN 11 2.947 6.110 -3.567 95 H LYS 12 H LYS 12 3.261 9.738 -6.065 96 HA LYS 12 HA LYS 12 3.742 9.184 -8.303 97 1HB LYS 12 2HB LYS 12 2.191 6.659 -7.766 98 2HB LYS 12 1HB LYS 12 3.691 6.863 -8.668 99 1HG LYS 12 2HG LYS 12 3.568 7.467 -5.715 100 2HG LYS 12 1HG LYS 12 3.836 5.825 -6.295 101 1HD LYS 12 2HD LYS 12 5.821 6.495 -7.492 102 2HD LYS 12 1HD LYS 12 5.504 8.198 -7.159 103 1HE LYS 12 2HE LYS 12 7.218 6.857 -5.664 104 2HE LYS 12 1HE LYS 12 6.116 8.016 -4.922 105 1HZ LYS 12 1HZ LYS 12 4.630 6.252 -4.348 106 2HZ LYS 12 2HZ LYS 12 6.179 5.846 -3.782 107 3HZ LYS 12 3HZ LYS 12 5.564 5.112 -5.186 108 H THR 13 H THR 13 1.988 10.895 -8.815 109 HA THR 13 HA THR 13 -0.649 10.649 -9.366 110 HB THR 13 HB THR 13 0.598 11.628 -11.793 111 HG1 THR 13 HG1 THR 13 1.681 13.345 -10.427 112 1HG2 THR 13 1HG2 THR 13 -1.542 12.426 -11.006 113 2HG2 THR 13 2HG2 THR 13 -0.398 13.768 -10.928 114 3HG2 THR 13 3HG2 THR 13 -0.845 12.904 -9.457 115 H LYS 14 H LYS 14 -2.017 9.687 -10.895 116 HA LYS 14 HA LYS 14 -1.469 7.137 -11.879 117 1HB LYS 14 2HB LYS 14 -3.326 7.593 -13.549 118 2HB LYS 14 1HB LYS 14 -3.743 7.935 -11.869 119 1HG LYS 14 2HG LYS 14 -2.837 10.347 -12.465 120 2HG LYS 14 1HG LYS 14 -3.211 9.846 -14.114 121 1HD LYS 14 2HD LYS 14 -5.396 9.073 -12.444 122 2HD LYS 14 1HD LYS 14 -5.019 10.763 -12.103 123 1HE LYS 14 2HE LYS 14 -5.436 11.440 -14.294 124 2HE LYS 14 1HE LYS 14 -5.143 9.830 -14.953 125 1HZ LYS 14 1HZ LYS 14 -7.565 10.966 -13.874 126 2HZ LYS 14 2HZ LYS 14 -7.221 9.402 -13.304 127 3HZ LYS 14 3HZ LYS 14 -7.360 9.690 -14.973 128 H LYS 15 H LYS 15 -1.258 10.207 -13.723 129 HA LYS 15 HA LYS 15 -0.151 8.994 -16.076 130 1HB LYS 15 2HB LYS 15 -1.105 11.423 -15.677 131 2HB LYS 15 1HB LYS 15 0.564 11.796 -15.244 132 1HG LYS 15 2HG LYS 15 1.097 10.502 -17.492 133 2HG LYS 15 1HG LYS 15 -0.563 10.950 -17.887 134 1HD LYS 15 2HD LYS 15 0.809 13.212 -16.732 135 2HD LYS 15 1HD LYS 15 1.739 12.578 -18.091 136 1HE LYS 15 2HE LYS 15 -0.372 12.600 -19.458 137 2HE LYS 15 1HE LYS 15 -1.175 13.415 -18.116 138 1HZ LYS 15 1HZ LYS 15 -0.264 15.338 -18.689 139 2HZ LYS 15 2HZ LYS 15 0.270 14.601 -20.124 140 3HZ LYS 15 3HZ LYS 15 1.293 14.669 -18.769 141 H ALA 16 H ALA 16 1.244 10.336 -13.122 142 HA ALA 16 HA ALA 16 3.980 9.675 -14.039 143 1HB ALA 16 1HB ALA 16 4.723 11.123 -12.428 144 2HB ALA 16 2HB ALA 16 3.523 10.587 -11.252 145 3HB ALA 16 3HB ALA 16 3.071 11.734 -12.513 146 H ASP 17 H ASP 17 1.838 7.654 -13.421 147 HA ASP 17 HA ASP 17 2.666 6.319 -10.954 148 1HB ASP 17 2HB ASP 17 0.361 6.130 -11.835 149 2HB ASP 17 1HB ASP 17 0.983 5.329 -13.277 150 H VAL 18 H VAL 18 3.367 6.061 -14.401 151 HA VAL 18 HA VAL 18 5.112 3.715 -13.887 152 HB VAL 18 HB VAL 18 4.732 5.024 -16.571 153 1HG1 VAL 18 1HG1 VAL 18 5.142 2.155 -15.680 154 2HG1 VAL 18 2HG1 VAL 18 6.408 3.220 -16.290 155 3HG1 VAL 18 3HG1 VAL 18 5.090 2.721 -17.350 156 1HG2 VAL 18 1HG2 VAL 18 2.907 2.866 -15.506 157 2HG2 VAL 18 2HG2 VAL 18 2.698 3.866 -16.943 158 3HG2 VAL 18 3HG2 VAL 18 2.499 4.575 -15.342 159 H LYS 19 H LYS 19 5.276 7.109 -14.091 160 HA LYS 19 HA LYS 19 8.098 7.110 -14.987 161 1HB LYS 19 2HB LYS 19 7.938 9.491 -15.060 162 2HB LYS 19 1HB LYS 19 6.402 8.895 -15.689 163 1HG LYS 19 2HG LYS 19 5.689 10.514 -14.168 164 2HG LYS 19 1HG LYS 19 5.630 9.053 -13.183 165 1HD LYS 19 2HD LYS 19 7.006 10.092 -11.729 166 2HD LYS 19 1HD LYS 19 8.272 9.957 -12.951 167 1HE LYS 19 2HE LYS 19 8.010 12.140 -13.667 168 2HE LYS 19 1HE LYS 19 6.307 12.195 -13.212 169 1HZ LYS 19 1HZ LYS 19 8.688 12.482 -11.497 170 2HZ LYS 19 2HZ LYS 19 7.200 11.994 -10.834 171 3HZ LYS 19 3HZ LYS 19 7.334 13.496 -11.618 172 H ALA 20 H ALA 20 6.166 7.686 -12.077 173 HA ALA 20 HA ALA 20 8.372 8.519 -10.404 174 1HB ALA 20 1HB ALA 20 5.662 7.306 -9.802 175 2HB ALA 20 2HB ALA 20 6.160 8.988 -9.611 176 3HB ALA 20 3HB ALA 20 6.811 7.748 -8.541 177 H ILE 21 H ILE 21 6.853 5.385 -11.123 178 HA ILE 21 HA ILE 21 8.316 3.786 -9.312 179 HB ILE 21 HB ILE 21 7.374 3.161 -12.129 180 1HG1 ILE 21 2HG1 ILE 21 5.346 2.672 -11.252 181 2HG1 ILE 21 1HG1 ILE 21 6.053 1.810 -9.895 182 1HG2 ILE 21 1HG2 ILE 21 8.363 1.156 -11.982 183 2HG2 ILE 21 2HG2 ILE 21 7.625 0.871 -10.408 184 3HG2 ILE 21 3HG2 ILE 21 9.169 1.701 -10.514 185 1HD1 ILE 21 1HD1 ILE 21 5.464 4.767 -10.125 186 2HD1 ILE 21 2HD1 ILE 21 6.545 4.129 -8.888 187 3HD1 ILE 21 3HD1 ILE 21 4.860 3.624 -8.930 188 H ALA 22 H ALA 22 9.394 5.543 -12.090 189 HA ALA 22 HA ALA 22 11.878 3.949 -12.315 190 1HB ALA 22 1HB ALA 22 12.266 5.059 -14.330 191 2HB ALA 22 2HB ALA 22 11.378 6.496 -13.822 192 3HB ALA 22 3HB ALA 22 10.502 5.033 -14.273 193 H ASP 23 H ASP 23 11.077 7.404 -11.784 194 HA ASP 23 HA ASP 23 13.789 7.818 -10.675 195 1HB ASP 23 2HB ASP 23 12.852 9.437 -12.302 196 2HB ASP 23 1HB ASP 23 11.563 9.810 -11.157 197 H ALA 24 H ALA 24 11.339 6.443 -9.244 198 HA ALA 24 HA ALA 24 11.050 8.280 -6.940 199 1HB ALA 24 1HB ALA 24 9.388 6.587 -6.136 200 2HB ALA 24 2HB ALA 24 9.676 5.689 -7.627 201 3HB ALA 24 3HB ALA 24 8.995 7.314 -7.693 202 H TRP 25 H TRP 25 12.055 4.888 -7.426 203 HA TRP 25 HA TRP 25 13.049 4.945 -4.636 204 1HB TRP 25 2HB TRP 25 13.344 2.392 -6.011 205 2HB TRP 25 1HB TRP 25 12.503 2.772 -4.525 206 HD1 TRP 25 HD1 TRP 25 10.322 4.807 -5.923 207 HE1 TRP 25 HE1 TRP 25 8.459 3.785 -7.335 208 HE3 TRP 25 HE3 TRP 25 12.309 0.188 -6.868 209 HZ2 TRP 25 HZ2 TRP 25 7.874 1.357 -8.669 210 HZ3 TRP 25 HZ3 TRP 25 11.039 -1.437 -8.207 211 HH2 TRP 25 HH2 TRP 25 8.836 -0.852 -9.119 212 H GLN 26 H GLN 26 14.949 2.664 -5.331 213 HA GLN 26 HA GLN 26 17.287 4.296 -5.658 214 1HB GLN 26 2HB GLN 26 17.185 2.036 -4.505 215 2HB GLN 26 1HB GLN 26 17.136 1.308 -6.112 216 1HG GLN 26 2HG GLN 26 19.272 3.320 -5.465 217 2HG GLN 26 1HG GLN 26 19.458 1.652 -4.927 218 1HE2 GLN 26 1HE2 GLN 26 20.262 3.653 -7.449 219 2HE2 GLN 26 2HE2 GLN 26 20.370 2.508 -8.696 220 H ILE 27 H ILE 27 16.798 5.432 -7.640 221 HA ILE 27 HA ILE 27 17.224 3.784 -10.092 222 HB ILE 27 HB ILE 27 15.311 4.774 -10.827 223 1HG1 ILE 27 2HG1 ILE 27 17.222 6.344 -11.734 224 2HG1 ILE 27 1HG1 ILE 27 15.540 6.839 -11.906 225 1HG2 ILE 27 1HG2 ILE 27 14.727 5.254 -8.482 226 2HG2 ILE 27 2HG2 ILE 27 14.163 6.537 -9.542 227 3HG2 ILE 27 3HG2 ILE 27 15.613 6.766 -8.587 228 1HD1 ILE 27 1HD1 ILE 27 16.920 8.697 -11.046 229 2HD1 ILE 27 2HD1 ILE 27 17.406 7.703 -9.673 230 3HD1 ILE 27 3HD1 ILE 27 15.723 8.198 -9.849 231 H ASN 28 H ASN 28 18.376 6.288 -8.038 232 HA ASN 28 HA ASN 28 20.852 6.450 -9.530 233 1HB ASN 28 2HB ASN 28 19.289 8.062 -10.735 234 2HB ASN 28 1HB ASN 28 19.288 9.021 -9.254 235 1HD2 ASN 28 1HD2 ASN 28 21.425 9.887 -8.520 236 2HD2 ASN 28 2HD2 ASN 28 22.667 10.124 -9.650 237 H GLY 29 H GLY 29 18.818 7.882 -7.000 238 1HA GLY 29 2HA GLY 29 19.649 7.732 -4.663 239 2HA GLY 29 1HA GLY 29 21.268 8.027 -5.300 240 H GLU 30 H GLU 30 20.115 10.048 -7.214 241 HA GLU 30 HA GLU 30 19.721 12.250 -5.234 242 1HB GLU 30 2HB GLU 30 21.848 12.613 -6.248 243 2HB GLU 30 1HB GLU 30 21.240 12.188 -7.847 244 1HG GLU 30 2HG GLU 30 20.640 14.322 -8.232 245 2HG GLU 30 1HG GLU 30 19.666 14.346 -6.761 246 H LYS 31 H LYS 31 18.705 10.762 -8.221 247 HA LYS 31 HA LYS 31 16.759 12.891 -8.812 248 1HB LYS 31 2HB LYS 31 17.365 10.213 -10.089 249 2HB LYS 31 1HB LYS 31 16.067 11.270 -10.643 250 1HG LYS 31 2HG LYS 31 17.806 11.955 -12.024 251 2HG LYS 31 1HG LYS 31 17.984 13.086 -10.681 252 1HD LYS 31 2HD LYS 31 19.775 11.835 -9.730 253 2HD LYS 31 1HD LYS 31 19.441 10.439 -10.755 254 1HE LYS 31 2HE LYS 31 20.175 13.099 -11.965 255 2HE LYS 31 1HE LYS 31 21.422 11.982 -11.413 256 1HZ LYS 31 1HZ LYS 31 20.022 11.917 -13.811 257 2HZ LYS 31 2HZ LYS 31 19.497 10.575 -12.910 258 3HZ LYS 31 3HZ LYS 31 21.151 10.788 -13.240 259 H GLU 32 H GLU 32 16.918 9.885 -7.085 260 HA GLU 32 HA GLU 32 13.983 9.574 -7.084 261 1HB GLU 32 2HB GLU 32 14.450 7.595 -5.650 262 2HB GLU 32 1HB GLU 32 15.317 7.535 -7.174 263 1HG GLU 32 2HG GLU 32 17.230 7.310 -6.015 264 2HG GLU 32 1HG GLU 32 16.994 8.946 -5.402 265 H LEU 33 H LEU 33 16.552 10.695 -4.953 266 HA LEU 33 HA LEU 33 15.018 10.778 -2.552 267 1HB LEU 33 2HB LEU 33 16.716 12.169 -1.678 268 2HB LEU 33 1HB LEU 33 17.557 11.212 -2.893 269 HG LEU 33 HG LEU 33 16.857 13.212 -4.486 270 1HD1 LEU 33 1HD1 LEU 33 15.655 14.711 -3.225 271 2HD1 LEU 33 2HD1 LEU 33 17.269 15.299 -2.829 272 3HD1 LEU 33 3HD1 LEU 33 16.427 14.221 -1.717 273 1HD2 LEU 33 1HD2 LEU 33 19.060 13.908 -4.334 274 2HD2 LEU 33 2HD2 LEU 33 19.178 12.392 -3.440 275 3HD2 LEU 33 3HD2 LEU 33 19.042 13.921 -2.571 276 H GLU 34 H GLU 34 15.211 12.931 -5.326 277 HA GLU 34 HA GLU 34 13.797 15.138 -4.208 278 1HB GLU 34 2HB GLU 34 15.183 14.950 -6.397 279 2HB GLU 34 1HB GLU 34 13.673 14.379 -7.113 280 1HG GLU 34 2HG GLU 34 12.527 16.405 -6.314 281 2HG GLU 34 1HG GLU 34 14.041 16.964 -5.605 282 H LEU 35 H LEU 35 12.572 12.650 -6.519 283 HA LEU 35 HA LEU 35 9.912 13.386 -6.513 284 1HB LEU 35 2HB LEU 35 10.945 11.460 -7.813 285 2HB LEU 35 1HB LEU 35 10.823 10.499 -6.343 286 HG LEU 35 HG LEU 35 8.882 10.453 -8.163 287 1HD1 LEU 35 1HD1 LEU 35 7.320 9.824 -6.402 288 2HD1 LEU 35 2HD1 LEU 35 8.281 10.685 -5.200 289 3HD1 LEU 35 3HD1 LEU 35 8.930 9.242 -5.977 290 1HD2 LEU 35 1HD2 LEU 35 8.500 12.887 -8.136 291 2HD2 LEU 35 2HD2 LEU 35 8.166 12.820 -6.410 292 3HD2 LEU 35 3HD2 LEU 35 7.074 12.033 -7.547 293 H LEU 36 H LEU 36 11.363 11.034 -4.249 294 HA LEU 36 HA LEU 36 9.030 10.863 -2.632 295 1HB LEU 36 2HB LEU 36 11.222 9.372 -2.746 296 2HB LEU 36 1HB LEU 36 11.753 10.454 -1.455 297 HG LEU 36 HG LEU 36 10.563 8.412 -0.609 298 1HD1 LEU 36 1HD1 LEU 36 9.628 9.636 1.109 299 2HD1 LEU 36 2HD1 LEU 36 8.778 10.714 0.010 300 3HD1 LEU 36 3HD1 LEU 36 10.495 10.945 0.306 301 1HD2 LEU 36 1HD2 LEU 36 8.016 9.665 -1.585 302 2HD2 LEU 36 2HD2 LEU 36 8.343 7.979 -1.184 303 3HD2 LEU 36 3HD2 LEU 36 8.937 8.657 -2.701 304 H GLN 37 H GLN 37 11.650 13.166 -2.747 305 HA GLN 37 HA GLN 37 11.425 14.261 -0.144 306 1HB GLN 37 2HB GLN 37 13.087 14.872 -2.057 307 2HB GLN 37 1HB GLN 37 11.834 15.988 -2.589 308 1HG GLN 37 2HG GLN 37 12.057 17.344 -0.729 309 2HG GLN 37 1HG GLN 37 12.624 16.025 0.297 310 1HE2 GLN 37 1HE2 GLN 37 14.051 16.399 -2.885 311 2HE2 GLN 37 2HE2 GLN 37 15.548 16.994 -2.360 312 H GLN 38 H GLN 38 9.213 14.222 -2.748 313 HA GLN 38 HA GLN 38 7.402 15.971 -1.183 314 1HB GLN 38 2HB GLN 38 8.460 16.473 -3.899 315 2HB GLN 38 1HB GLN 38 6.711 16.644 -3.738 316 1HG GLN 38 2HG GLN 38 8.620 17.923 -1.780 317 2HG GLN 38 1HG GLN 38 8.117 18.741 -3.261 318 1HE2 GLN 38 1HE2 GLN 38 5.424 18.026 -3.449 319 2HE2 GLN 38 2HE2 GLN 38 4.572 18.610 -2.103 320 H ILE 39 H ILE 39 7.740 12.965 -1.937 321 HA ILE 39 HA ILE 39 4.987 12.709 -3.003 322 HB ILE 39 HB ILE 39 7.371 11.016 -3.613 323 1HG1 ILE 39 2HG1 ILE 39 6.973 12.897 -5.100 324 2HG1 ILE 39 1HG1 ILE 39 6.465 11.429 -5.932 325 1HG2 ILE 39 1HG2 ILE 39 5.363 9.763 -4.904 326 2HG2 ILE 39 2HG2 ILE 39 4.470 10.330 -3.492 327 3HG2 ILE 39 3HG2 ILE 39 5.876 9.286 -3.285 328 1HD1 ILE 39 1HD1 ILE 39 4.536 12.554 -6.308 329 2HD1 ILE 39 2HD1 ILE 39 4.858 13.717 -5.022 330 3HD1 ILE 39 3HD1 ILE 39 4.163 12.143 -4.633 331 H ALA 40 H ALA 40 7.329 11.210 -0.768 332 HA ALA 40 HA ALA 40 5.287 9.341 0.221 333 1HB ALA 40 1HB ALA 40 7.753 8.835 0.379 334 2HB ALA 40 2HB ALA 40 6.897 8.685 1.906 335 3HB ALA 40 3HB ALA 40 7.881 10.110 1.587 336 H GLN 41 H GLN 41 5.921 12.580 0.592 337 HA GLN 41 HA GLN 41 4.787 12.686 3.323 338 1HB GLN 41 2HB GLN 41 5.814 14.977 1.665 339 2HB GLN 41 1HB GLN 41 5.615 14.921 3.420 340 1HG GLN 41 2HG GLN 41 7.488 13.609 3.730 341 2HG GLN 41 1HG GLN 41 7.370 12.862 2.149 342 1HE2 GLN 41 1HE2 GLN 41 9.600 13.353 1.645 343 2HE2 GLN 41 2HE2 GLN 41 10.098 14.932 1.289 344 H LYS 42 H LYS 42 3.910 12.932 0.084 345 HA LYS 42 HA LYS 42 1.313 14.136 0.958 346 1HB LYS 42 2HB LYS 42 1.231 15.228 -1.366 347 2HB LYS 42 1HB LYS 42 2.300 15.957 -0.169 348 1HG LYS 42 2HG LYS 42 3.824 15.808 -1.868 349 2HG LYS 42 1HG LYS 42 4.003 14.164 -1.267 350 1HD LYS 42 2HD LYS 42 3.665 13.883 -3.586 351 2HD LYS 42 1HD LYS 42 2.077 13.566 -2.887 352 1HE LYS 42 2HE LYS 42 1.179 15.301 -4.009 353 2HE LYS 42 1HE LYS 42 2.404 16.399 -3.374 354 1HZ LYS 42 1HZ LYS 42 3.887 15.798 -5.114 355 2HZ LYS 42 2HZ LYS 42 2.394 16.176 -5.834 356 3HZ LYS 42 3HZ LYS 42 2.866 14.555 -5.652 357 HA PRO 43 HA PRO 43 0.909 10.474 -2.089 358 1HB PRO 43 2HB PRO 43 0.866 8.307 -0.409 359 2HB PRO 43 1HB PRO 43 2.331 8.872 -1.233 360 1HG PRO 43 2HG PRO 43 1.521 9.239 1.628 361 2HG PRO 43 1HG PRO 43 3.140 9.057 0.931 362 1HD PRO 43 2HD PRO 43 2.052 11.505 1.721 363 2HD PRO 43 1HD PRO 43 3.360 11.298 0.544 364 H GLY 44 H GLY 44 -0.971 8.816 -1.946 365 1HA GLY 44 2HA GLY 44 -2.991 9.395 0.111 366 2HA GLY 44 1HA GLY 44 -3.420 9.875 -1.533 367 H ALA 45 H ALA 45 -1.345 7.142 -1.288 368 HA ALA 45 HA ALA 45 -3.024 4.983 -0.823 369 1HB ALA 45 1HB ALA 45 -3.346 4.748 -3.600 370 2HB ALA 45 2HB ALA 45 -3.792 6.414 -3.228 371 3HB ALA 45 3HB ALA 45 -4.611 5.080 -2.417 372 H LEU 46 H LEU 46 -0.137 5.784 -1.046 373 HA LEU 46 HA LEU 46 1.234 4.511 -3.135 374 1HB LEU 46 2HB LEU 46 2.621 5.669 -1.645 375 2HB LEU 46 1HB LEU 46 1.836 4.989 -0.228 376 HG LEU 46 HG LEU 46 4.242 4.203 -0.848 377 1HD1 LEU 46 1HD1 LEU 46 3.412 3.028 0.920 378 2HD1 LEU 46 2HD1 LEU 46 3.377 1.731 -0.272 379 3HD1 LEU 46 3HD1 LEU 46 1.907 2.630 0.095 380 1HD2 LEU 46 1HD2 LEU 46 2.791 3.286 -3.163 381 2HD2 LEU 46 2HD2 LEU 46 3.416 1.896 -2.280 382 3HD2 LEU 46 3HD2 LEU 46 4.514 3.161 -2.820 383 H ARG 47 H ARG 47 -0.389 3.147 -0.336 384 HA ARG 47 HA ARG 47 0.553 0.529 -0.287 385 1HB ARG 47 2HB ARG 47 -1.599 1.895 0.823 386 2HB ARG 47 1HB ARG 47 -2.352 0.591 -0.096 387 1HG ARG 47 2HG ARG 47 -1.916 -0.586 1.828 388 2HG ARG 47 1HG ARG 47 -0.350 -0.800 1.046 389 1HD ARG 47 2HD ARG 47 0.482 0.082 2.971 390 2HD ARG 47 1HD ARG 47 -0.006 1.624 2.269 391 HE ARG 47 HE ARG 47 -1.961 0.142 3.953 392 1HH1 ARG 47 2HH1 ARG 47 0.635 2.222 4.335 393 2HH1 ARG 47 1HH1 ARG 47 -0.249 3.467 5.153 394 1HH2 ARG 47 1HH2 ARG 47 -3.343 2.002 4.595 395 2HH2 ARG 47 2HH2 ARG 47 -2.501 3.342 5.300 396 H ILE 48 H ILE 48 -2.096 1.747 -2.386 397 HA ILE 48 HA ILE 48 -2.791 -0.624 -3.672 398 HB ILE 48 HB ILE 48 -2.539 2.190 -4.756 399 1HG1 ILE 48 2HG1 ILE 48 -5.162 0.935 -4.698 400 2HG1 ILE 48 1HG1 ILE 48 -4.399 0.889 -3.109 401 1HG2 ILE 48 1HG2 ILE 48 -3.919 1.359 -6.684 402 2HG2 ILE 48 2HG2 ILE 48 -3.608 -0.289 -6.136 403 3HG2 ILE 48 3HG2 ILE 48 -2.272 0.728 -6.674 404 1HD1 ILE 48 1HD1 ILE 48 -4.219 3.442 -4.637 405 2HD1 ILE 48 2HD1 ILE 48 -4.372 3.184 -2.900 406 3HD1 ILE 48 3HD1 ILE 48 -5.785 3.024 -3.943 407 H LEU 49 H LEU 49 -0.433 1.643 -5.161 408 HA LEU 49 HA LEU 49 0.664 -0.512 -6.787 409 1HB LEU 49 2HB LEU 49 2.285 1.956 -6.334 410 2HB LEU 49 1HB LEU 49 1.906 1.131 -7.846 411 HG LEU 49 HG LEU 49 -0.579 1.978 -7.072 412 1HD1 LEU 49 1HD1 LEU 49 -0.498 3.755 -5.690 413 2HD1 LEU 49 2HD1 LEU 49 0.735 4.532 -6.683 414 3HD1 LEU 49 3HD1 LEU 49 1.207 3.392 -5.423 415 1HD2 LEU 49 1HD2 LEU 49 0.714 4.089 -8.548 416 2HD2 LEU 49 2HD2 LEU 49 -0.406 2.861 -9.136 417 3HD2 LEU 49 3HD2 LEU 49 1.326 2.530 -9.098 418 H ASN 50 H ASN 50 0.978 0.271 -3.558 419 HA ASN 50 HA ASN 50 3.787 -0.195 -3.115 420 1HB ASN 50 2HB ASN 50 2.232 0.822 -1.403 421 2HB ASN 50 1HB ASN 50 1.509 -0.767 -1.194 422 1HD2 ASN 50 1HD2 ASN 50 4.947 0.287 -1.537 423 2HD2 ASN 50 2HD2 ASN 50 5.472 -0.480 -0.117 424 H HIS 51 H HIS 51 1.024 -2.246 -3.644 425 HA HIS 51 HA HIS 51 1.754 -4.659 -2.499 426 1HB HIS 51 2HB HIS 51 -0.262 -4.448 -3.873 427 2HB HIS 51 1HB HIS 51 0.717 -4.189 -5.317 428 HD1 HIS 51 HD1 HIS 51 0.626 -6.854 -2.567 429 HD2 HIS 51 HD2 HIS 51 0.961 -6.540 -6.707 430 HE1 HIS 51 HE1 HIS 51 0.807 -9.221 -3.451 431 H SER 52 H SER 52 3.262 -2.941 -5.148 432 HA SER 52 HA SER 52 5.475 -4.911 -5.026 433 1HB SER 52 2HB SER 52 3.797 -4.874 -7.121 434 2HB SER 52 1HB SER 52 4.913 -3.623 -7.642 435 HG SER 52 HG SER 52 5.346 -6.344 -7.157 436 H LEU 53 H LEU 53 4.513 -1.737 -4.597 437 HA LEU 53 HA LEU 53 7.005 -0.554 -5.627 438 1HB LEU 53 2HB LEU 53 4.443 0.517 -4.910 439 2HB LEU 53 1HB LEU 53 5.661 1.281 -3.896 440 HG LEU 53 HG LEU 53 6.861 2.119 -5.751 441 1HD1 LEU 53 1HD1 LEU 53 5.363 0.008 -7.275 442 2HD1 LEU 53 2HD1 LEU 53 7.098 0.252 -7.164 443 3HD1 LEU 53 3HD1 LEU 53 6.115 1.359 -8.114 444 1HD2 LEU 53 1HD2 LEU 53 5.293 3.433 -6.935 445 2HD2 LEU 53 2HD2 LEU 53 4.481 3.078 -5.410 446 3HD2 LEU 53 3HD2 LEU 53 4.059 2.176 -6.866 447 H ARG 54 H ARG 54 5.804 -1.962 -2.770 448 HA ARG 54 HA ARG 54 7.376 -0.740 -0.774 449 1HB ARG 54 2HB ARG 54 5.788 -2.509 -0.203 450 2HB ARG 54 1HB ARG 54 6.684 -3.673 -1.179 451 1HG ARG 54 2HG ARG 54 8.197 -4.046 0.461 452 2HG ARG 54 1HG ARG 54 8.367 -2.323 0.804 453 1HD ARG 54 2HD ARG 54 5.805 -2.903 1.701 454 2HD ARG 54 1HD ARG 54 6.729 -4.333 2.160 455 HE ARG 54 HE ARG 54 8.137 -1.904 2.861 456 1HH1 ARG 54 2HH1 ARG 54 6.924 -0.746 4.669 457 2HH1 ARG 54 1HH1 ARG 54 6.404 -1.798 5.943 458 1HH2 ARG 54 2HH2 ARG 54 6.379 -4.036 5.621 459 2HH2 ARG 54 1HH2 ARG 54 6.878 -4.697 4.101 460 H LEU 55 H LEU 55 8.217 -2.688 -3.516 461 HA LEU 55 HA LEU 55 10.794 -3.644 -2.811 462 1HB LEU 55 2HB LEU 55 9.182 -3.383 -5.186 463 2HB LEU 55 1HB LEU 55 10.832 -2.873 -5.542 464 HG LEU 55 HG LEU 55 10.334 -5.366 -5.829 465 1HD1 LEU 55 1HD1 LEU 55 12.608 -4.569 -5.733 466 2HD1 LEU 55 2HD1 LEU 55 12.499 -5.994 -4.702 467 3HD1 LEU 55 3HD1 LEU 55 12.523 -4.385 -3.982 468 1HD2 LEU 55 1HD2 LEU 55 9.301 -5.055 -3.249 469 2HD2 LEU 55 2HD2 LEU 55 10.834 -5.891 -3.001 470 3HD2 LEU 55 3HD2 LEU 55 9.612 -6.587 -4.065 471 H ALA 56 H ALA 56 9.754 -0.566 -4.211 472 HA ALA 56 HA ALA 56 11.880 0.864 -4.962 473 1HB ALA 56 1HB ALA 56 9.797 1.630 -2.917 474 2HB ALA 56 2HB ALA 56 9.880 2.083 -4.619 475 3HB ALA 56 3HB ALA 56 11.008 2.788 -3.463 476 H ALA 57 H ALA 57 11.322 -0.098 -1.589 477 HA ALA 57 HA ALA 57 14.002 0.957 -0.839 478 1HB ALA 57 1HB ALA 57 12.119 1.540 0.647 479 2HB ALA 57 2HB ALA 57 13.272 0.502 1.485 480 3HB ALA 57 3HB ALA 57 11.763 -0.172 0.873 481 H MET 58 H MET 58 12.111 -2.015 -1.071 482 HA MET 58 HA MET 58 13.930 -3.806 0.178 483 1HB MET 58 2HB MET 58 11.492 -4.028 -1.105 484 2HB MET 58 1HB MET 58 12.583 -4.892 -2.189 485 1HG MET 58 2HG MET 58 13.440 -5.840 0.207 486 2HG MET 58 1HG MET 58 11.735 -5.571 0.567 487 1HE MET 58 1HE MET 58 9.964 -8.112 -0.276 488 2HE MET 58 2HE MET 58 9.708 -7.150 -1.731 489 3HE MET 58 3HE MET 58 10.009 -6.346 -0.193 490 H THR 59 H THR 59 16.082 -3.335 -0.442 491 HA THR 59 HA THR 59 16.728 -3.626 -3.335 492 HB THR 59 HB THR 59 17.634 -1.649 -2.074 493 HG1 THR 59 HG1 THR 59 19.798 -3.305 -2.716 494 1HG2 THR 59 1HG2 THR 59 18.007 -2.511 0.105 495 2HG2 THR 59 2HG2 THR 59 19.619 -2.238 -0.555 496 3HG2 THR 59 3HG2 THR 59 18.950 -3.869 -0.508 497 H ALA 60 H ALA 60 16.039 -5.807 -1.315 498 HA ALA 60 HA ALA 60 18.430 -7.493 -1.895 499 1HB ALA 60 1HB ALA 60 17.002 -7.156 0.748 500 2HB ALA 60 2HB ALA 60 18.725 -6.995 0.413 501 3HB ALA 60 3HB ALA 60 17.968 -8.587 0.387 502 H HIS 61 H HIS 61 15.437 -7.081 -2.773 503 HA HIS 61 HA HIS 61 13.748 -9.163 -2.197 504 1HB HIS 61 2HB HIS 61 13.510 -7.397 -4.042 505 2HB HIS 61 1HB HIS 61 14.413 -8.506 -5.072 506 HD1 HIS 61 HD1 HIS 61 12.622 -10.661 -2.933 507 HD2 HIS 61 HD2 HIS 61 11.496 -8.332 -6.205 508 HE1 HIS 61 HE1 HIS 61 10.440 -11.626 -3.787 509 H GLY 62 H GLY 62 16.632 -9.404 -4.271 510 1HA GLY 62 2HA GLY 62 17.832 -11.283 -4.997 511 2HA GLY 62 1HA GLY 62 17.268 -12.056 -3.513 512 H LYS 63 H LYS 63 15.396 -10.855 -6.286 513 HA LYS 63 HA LYS 63 14.827 -13.536 -7.265 514 1HB LYS 63 2HB LYS 63 13.422 -13.307 -5.154 515 2HB LYS 63 1HB LYS 63 12.537 -12.024 -5.985 516 1HG LYS 63 2HG LYS 63 12.076 -13.653 -7.851 517 2HG LYS 63 1HG LYS 63 12.790 -14.919 -6.851 518 1HD LYS 63 2HD LYS 63 10.495 -13.178 -5.919 519 2HD LYS 63 1HD LYS 63 10.263 -14.741 -6.703 520 1HE LYS 63 2HE LYS 63 12.235 -15.029 -4.637 521 2HE LYS 63 1HE LYS 63 10.810 -14.240 -3.959 522 1HZ LYS 63 1HZ LYS 63 10.283 -16.458 -3.780 523 2HZ LYS 63 2HZ LYS 63 11.035 -16.878 -5.245 524 3HZ LYS 63 3HZ LYS 63 9.548 -16.058 -5.254 525 H GLY 64 H GLY 64 13.719 -10.147 -7.121 526 1HA GLY 64 2HA GLY 64 13.700 -10.111 -10.085 527 2HA GLY 64 1HA GLY 64 12.193 -9.693 -9.268 528 H GLU 65 H GLU 65 15.534 -8.695 -9.786 529 HA GLU 65 HA GLU 65 14.766 -5.895 -9.431 530 1HB GLU 65 2HB GLU 65 16.429 -5.456 -7.637 531 2HB GLU 65 1HB GLU 65 15.151 -6.540 -7.090 532 1HG GLU 65 2HG GLU 65 16.702 -8.079 -6.566 533 2HG GLU 65 1HG GLU 65 17.174 -8.157 -8.264 534 H ARG 66 H ARG 66 15.741 -5.094 -11.246 535 HA ARG 66 HA ARG 66 18.106 -6.306 -12.396 536 1HB ARG 66 2HB ARG 66 16.326 -4.017 -13.035 537 2HB ARG 66 1HB ARG 66 17.982 -3.892 -13.632 538 1HG ARG 66 2HG ARG 66 17.451 -6.464 -14.290 539 2HG ARG 66 1HG ARG 66 15.830 -5.780 -14.412 540 1HD ARG 66 2HD ARG 66 16.395 -4.969 -16.433 541 2HD ARG 66 1HD ARG 66 17.531 -3.891 -15.624 542 HE ARG 66 HE ARG 66 18.864 -6.347 -15.861 543 1HH1 ARG 66 2HH1 ARG 66 16.947 -5.808 -18.387 544 2HH1 ARG 66 1HH1 ARG 66 18.164 -5.335 -19.525 545 1HH2 ARG 66 1HH2 ARG 66 20.640 -4.964 -17.127 546 2HH2 ARG 66 2HH2 ARG 66 20.253 -4.857 -18.813 547 H VAL 67 H VAL 67 18.253 -2.828 -12.162 548 HA VAL 67 HA VAL 67 20.060 -2.828 -9.867 549 HB VAL 67 HB VAL 67 21.141 -2.421 -12.670 550 1HG1 VAL 67 1HG1 VAL 67 22.052 -1.469 -10.008 551 2HG1 VAL 67 2HG1 VAL 67 22.352 -0.792 -11.609 552 3HG1 VAL 67 3HG1 VAL 67 23.292 -2.174 -11.045 553 1HG2 VAL 67 1HG2 VAL 67 21.195 -4.737 -12.127 554 2HG2 VAL 67 2HG2 VAL 67 21.648 -4.413 -10.453 555 3HG2 VAL 67 3HG2 VAL 67 22.814 -4.149 -11.750 556 H ASN 68 H ASN 68 20.408 -0.696 -12.653 557 HA ASN 68 HA ASN 68 19.878 1.629 -11.001 558 1HB ASN 68 2HB ASN 68 21.259 1.185 -13.344 559 2HB ASN 68 1HB ASN 68 19.829 2.052 -13.906 560 1HD2 ASN 68 1HD2 ASN 68 21.935 2.305 -10.974 561 2HD2 ASN 68 2HD2 ASN 68 22.148 3.984 -11.099 562 H GLU 69 H GLU 69 18.522 3.157 -13.103 563 HA GLU 69 HA GLU 69 15.966 3.408 -12.324 564 1HB GLU 69 2HB GLU 69 16.623 3.169 -15.269 565 2HB GLU 69 1HB GLU 69 15.337 4.130 -14.538 566 1HG GLU 69 2HG GLU 69 17.408 5.162 -13.190 567 2HG GLU 69 1HG GLU 69 18.271 4.656 -14.643 568 H ASP 70 H ASP 70 16.752 1.007 -14.879 569 HA ASP 70 HA ASP 70 14.246 -0.165 -15.129 570 1HB ASP 70 2HB ASP 70 16.653 -1.942 -14.926 571 2HB ASP 70 1HB ASP 70 15.276 -2.054 -16.022 572 H TYR 71 H TYR 71 16.761 -1.209 -12.793 573 HA TYR 71 HA TYR 71 15.771 -3.223 -11.356 574 1HB TYR 71 2HB TYR 71 17.562 -2.102 -10.306 575 2HB TYR 71 1HB TYR 71 16.706 -0.565 -10.292 576 HD1 TYR 71 HD1 TYR 71 16.475 0.066 -8.082 577 HD2 TYR 71 HD2 TYR 71 15.585 -3.979 -9.212 578 HE1 TYR 71 HE1 TYR 71 15.604 -0.368 -5.800 579 HE2 TYR 71 HE2 TYR 71 14.717 -4.418 -6.927 580 HH TYR 71 HH TYR 71 14.252 -1.855 -4.605 581 H LEU 72 H LEU 72 14.478 0.052 -10.895 582 HA LEU 72 HA LEU 72 12.493 -0.543 -9.068 583 1HB LEU 72 2HB LEU 72 12.104 1.355 -11.371 584 2HB LEU 72 1HB LEU 72 11.374 1.439 -9.767 585 HG LEU 72 HG LEU 72 14.259 1.886 -10.519 586 1HD1 LEU 72 1HD1 LEU 72 13.880 4.028 -9.515 587 2HD1 LEU 72 2HD1 LEU 72 12.332 3.511 -8.850 588 3HD1 LEU 72 3HD1 LEU 72 12.522 3.723 -10.589 589 1HD2 LEU 72 1HD2 LEU 72 14.833 1.871 -8.197 590 2HD2 LEU 72 2HD2 LEU 72 13.967 0.367 -8.482 591 3HD2 LEU 72 3HD2 LEU 72 13.150 1.727 -7.716 592 H ARG 73 H ARG 73 11.980 -0.356 -12.585 593 HA ARG 73 HA ARG 73 9.336 -1.453 -12.451 594 1HB ARG 73 2HB ARG 73 11.401 -1.198 -14.619 595 2HB ARG 73 1HB ARG 73 9.995 -2.224 -14.906 596 1HG ARG 73 2HG ARG 73 8.677 -0.431 -15.231 597 2HG ARG 73 1HG ARG 73 9.181 0.275 -13.695 598 1HD ARG 73 2HD ARG 73 9.752 1.725 -15.645 599 2HD ARG 73 1HD ARG 73 11.177 1.218 -14.738 600 HE ARG 73 HE ARG 73 11.880 0.010 -16.640 601 1HH1 ARG 73 2HH1 ARG 73 10.415 -1.927 -17.628 602 2HH1 ARG 73 1HH1 ARG 73 9.384 -1.309 -18.877 603 1HH2 ARG 73 2HH2 ARG 73 9.000 0.914 -19.027 604 2HH2 ARG 73 1HH2 ARG 73 9.736 2.000 -17.896 605 H GLN 74 H GLN 74 12.437 -3.060 -13.146 606 HA GLN 74 HA GLN 74 11.429 -5.683 -13.367 607 1HB GLN 74 2HB GLN 74 13.865 -4.724 -13.730 608 2HB GLN 74 1HB GLN 74 14.065 -5.111 -12.028 609 1HG GLN 74 2HG GLN 74 14.765 -7.096 -13.026 610 2HG GLN 74 1HG GLN 74 13.066 -7.439 -12.697 611 1HE2 GLN 74 1HE2 GLN 74 14.453 -8.785 -14.808 612 2HE2 GLN 74 2HE2 GLN 74 13.804 -8.274 -16.290 613 H ALA 75 H ALA 75 11.651 -3.616 -10.713 614 HA ALA 75 HA ALA 75 11.746 -5.700 -8.673 615 1HB ALA 75 1HB ALA 75 10.962 -3.230 -7.552 616 2HB ALA 75 2HB ALA 75 12.062 -2.817 -8.866 617 3HB ALA 75 3HB ALA 75 12.596 -3.896 -7.580 618 H PHE 76 H PHE 76 9.469 -3.108 -9.505 619 HA PHE 76 HA PHE 76 7.279 -4.661 -8.315 620 1HB PHE 76 2HB PHE 76 6.344 -2.641 -7.794 621 2HB PHE 76 1HB PHE 76 7.970 -2.046 -8.058 622 HD1 PHE 76 HD1 PHE 76 4.832 -1.083 -8.612 623 HD2 PHE 76 HD2 PHE 76 8.308 -2.054 -10.925 624 HE1 PHE 76 HE1 PHE 76 3.978 0.321 -10.449 625 HE2 PHE 76 HE2 PHE 76 7.460 -0.651 -12.774 626 HZ PHE 76 HZ PHE 76 5.298 0.535 -12.558 627 H ARG 77 H ARG 77 8.456 -5.331 -10.997 628 HA ARG 77 HA ARG 77 5.890 -5.380 -12.461 629 1HB ARG 77 2HB ARG 77 8.031 -3.551 -13.132 630 2HB ARG 77 1HB ARG 77 7.771 -4.679 -14.447 631 1HG ARG 77 2HG ARG 77 5.672 -2.941 -13.121 632 2HG ARG 77 1HG ARG 77 6.301 -2.768 -14.760 633 1HD ARG 77 2HD ARG 77 5.465 -5.428 -14.632 634 2HD ARG 77 1HD ARG 77 4.211 -4.540 -13.765 635 HE ARG 77 HE ARG 77 5.054 -3.845 -16.554 636 1HH1 ARG 77 2HH1 ARG 77 2.603 -5.531 -15.319 637 2HH1 ARG 77 1HH1 ARG 77 1.327 -4.423 -15.703 638 1HH2 ARG 77 1HH2 ARG 77 3.473 -1.817 -16.496 639 2HH2 ARG 77 2HH2 ARG 77 1.821 -2.320 -16.370 640 H GLU 78 H GLU 78 9.314 -6.296 -12.351 641 HA GLU 78 HA GLU 78 9.290 -8.284 -14.353 642 1HB GLU 78 2HB GLU 78 11.359 -8.878 -13.536 643 2HB GLU 78 1HB GLU 78 11.186 -7.343 -12.709 644 1HG GLU 78 2HG GLU 78 11.779 -8.733 -10.938 645 2HG GLU 78 1HG GLU 78 10.020 -8.817 -10.851 646 H LEU 79 H LEU 79 7.667 -8.218 -11.325 647 HA LEU 79 HA LEU 79 7.305 -11.163 -11.318 648 1HB LEU 79 2HB LEU 79 6.373 -9.081 -9.320 649 2HB LEU 79 1HB LEU 79 6.290 -10.832 -9.114 650 HG LEU 79 HG LEU 79 8.924 -10.534 -9.728 651 1HD1 LEU 79 1HD1 LEU 79 9.783 -8.593 -8.492 652 2HD1 LEU 79 2HD1 LEU 79 8.137 -8.098 -8.097 653 3HD1 LEU 79 3HD1 LEU 79 8.691 -8.059 -9.771 654 1HD2 LEU 79 1HD2 LEU 79 8.867 -11.680 -7.785 655 2HD2 LEU 79 2HD2 LEU 79 7.298 -10.989 -7.373 656 3HD2 LEU 79 3HD2 LEU 79 8.779 -10.134 -6.941 657 H ASP 80 H ASP 80 5.009 -8.508 -10.568 658 HA ASP 80 HA ASP 80 3.291 -8.824 -12.773 659 1HB ASP 80 2HB ASP 80 1.517 -10.274 -11.530 660 2HB ASP 80 1HB ASP 80 2.859 -11.083 -12.350 661 H LEU 81 H LEU 81 3.136 -8.661 -9.221 662 HA LEU 81 HA LEU 81 2.290 -6.934 -7.891 663 1HB LEU 81 2HB LEU 81 0.936 -5.755 -10.313 664 2HB LEU 81 1HB LEU 81 1.393 -4.971 -8.812 665 HG LEU 81 HG LEU 81 3.081 -5.622 -11.185 666 1HD1 LEU 81 1HD1 LEU 81 2.128 -3.330 -10.023 667 2HD1 LEU 81 2HD1 LEU 81 3.530 -3.403 -11.091 668 3HD1 LEU 81 3HD1 LEU 81 3.751 -3.428 -9.341 669 1HD2 LEU 81 1HD2 LEU 81 4.961 -5.073 -9.252 670 2HD2 LEU 81 2HD2 LEU 81 4.628 -6.681 -9.886 671 3HD2 LEU 81 3HD2 LEU 81 3.870 -6.152 -8.389 672 H ASP 82 H ASP 82 1.157 -9.241 -7.710 673 HA ASP 82 HA ASP 82 -1.635 -8.668 -7.333 674 1HB ASP 82 2HB ASP 82 -2.628 -10.151 -8.918 675 2HB ASP 82 1HB ASP 82 -1.479 -9.164 -9.822 676 H VAL 83 H VAL 83 0.942 -11.042 -7.416 677 HA VAL 83 HA VAL 83 -0.056 -12.169 -4.894 678 HB VAL 83 HB VAL 83 0.047 -13.781 -7.448 679 1HG1 VAL 83 1HG1 VAL 83 0.323 -14.599 -4.584 680 2HG1 VAL 83 2HG1 VAL 83 1.049 -15.307 -6.026 681 3HG1 VAL 83 3HG1 VAL 83 -0.645 -15.621 -5.647 682 1HG2 VAL 83 1HG2 VAL 83 -2.046 -12.937 -5.469 683 2HG2 VAL 83 2HG2 VAL 83 -2.251 -14.459 -6.334 684 3HG2 VAL 83 3HG2 VAL 83 -2.120 -12.946 -7.231 685 H ASP 84 H ASP 84 2.347 -12.354 -7.502 686 HA ASP 84 HA ASP 84 4.290 -13.885 -6.069 687 1HB ASP 84 2HB ASP 84 4.550 -11.833 -8.276 688 2HB ASP 84 1HB ASP 84 5.935 -12.711 -7.628 689 H ILE 85 H ILE 85 3.589 -10.431 -6.148 690 HA ILE 85 HA ILE 85 5.853 -9.868 -4.329 691 HB ILE 85 HB ILE 85 4.308 -7.545 -4.506 692 1HG1 ILE 85 2HG1 ILE 85 3.039 -8.733 -6.362 693 2HG1 ILE 85 1HG1 ILE 85 3.793 -7.219 -6.832 694 1HG2 ILE 85 1HG2 ILE 85 6.219 -6.660 -5.535 695 2HG2 ILE 85 2HG2 ILE 85 6.571 -8.161 -6.393 696 3HG2 ILE 85 3HG2 ILE 85 6.849 -8.053 -4.656 697 1HD1 ILE 85 1HD1 ILE 85 5.771 -9.172 -7.248 698 2HD1 ILE 85 2HD1 ILE 85 4.838 -8.331 -8.485 699 3HD1 ILE 85 3HD1 ILE 85 4.278 -9.881 -7.860 700 H SER 86 H SER 86 2.953 -11.195 -3.858 701 HA SER 86 HA SER 86 2.003 -9.575 -1.623 702 1HB SER 86 2HB SER 86 0.226 -11.130 -1.460 703 2HB SER 86 1HB SER 86 0.572 -11.064 -3.184 704 HG SER 86 HG SER 86 2.167 -12.874 -2.371 705 H THR 87 H THR 87 1.457 -11.217 0.394 706 HA THR 87 HA THR 87 4.144 -12.146 1.288 707 HB THR 87 HB THR 87 3.091 -12.091 3.573 708 HG1 THR 87 HG1 THR 87 1.057 -10.508 3.049 709 1HG2 THR 87 1HG2 THR 87 2.529 -9.371 2.769 710 2HG2 THR 87 2HG2 THR 87 3.962 -9.975 1.937 711 3HG2 THR 87 3HG2 THR 87 3.891 -9.994 3.699 712 H LEU 88 H LEU 88 1.553 -13.350 -0.200 713 HA LEU 88 HA LEU 88 1.451 -15.874 1.354 714 1HB LEU 88 2HB LEU 88 -0.384 -15.766 -0.867 715 2HB LEU 88 1HB LEU 88 -0.743 -15.889 0.847 716 HG LEU 88 HG LEU 88 -0.203 -13.312 -0.647 717 1HD1 LEU 88 1HD1 LEU 88 -2.362 -14.277 -1.256 718 2HD1 LEU 88 2HD1 LEU 88 -2.612 -12.885 -0.203 719 3HD1 LEU 88 3HD1 LEU 88 -2.759 -14.518 0.446 720 1HD2 LEU 88 1HD2 LEU 88 -1.460 -12.795 1.792 721 2HD2 LEU 88 2HD2 LEU 88 0.243 -12.526 1.427 722 3HD2 LEU 88 3HD2 LEU 88 -0.269 -14.036 2.181 723 H LEU 89 H LEU 89 3.644 -15.020 -0.512 724 HA LEU 89 HA LEU 89 3.293 -17.058 -2.661 725 1HB LEU 89 2HB LEU 89 3.926 -14.669 -3.262 726 2HB LEU 89 1HB LEU 89 5.463 -14.956 -2.449 727 HG LEU 89 HG LEU 89 5.440 -15.342 -4.975 728 1HD1 LEU 89 1HD1 LEU 89 7.233 -16.659 -4.602 729 2HD1 LEU 89 2HD1 LEU 89 6.232 -17.952 -3.942 730 3HD1 LEU 89 3HD1 LEU 89 6.777 -16.639 -2.899 731 1HD2 LEU 89 1HD2 LEU 89 3.160 -16.573 -4.749 732 2HD2 LEU 89 2HD2 LEU 89 4.129 -17.964 -4.260 733 3HD2 LEU 89 3HD2 LEU 89 4.357 -17.246 -5.856 734 H ARG 90 H ARG 90 5.181 -16.227 0.162 735 HA ARG 90 HA ARG 90 7.197 -18.300 -0.390 736 1HB ARG 90 2HB ARG 90 7.174 -15.960 1.114 737 2HB ARG 90 1HB ARG 90 7.132 -17.237 2.331 738 1HG ARG 90 2HG ARG 90 9.439 -16.908 1.921 739 2HG ARG 90 1HG ARG 90 9.032 -18.337 0.970 740 1HD ARG 90 2HD ARG 90 10.051 -17.179 -0.715 741 2HD ARG 90 1HD ARG 90 8.483 -16.381 -0.836 742 HE ARG 90 HE ARG 90 9.909 -14.930 1.088 743 1HH1 ARG 90 2HH1 ARG 90 12.353 -15.491 -0.436 744 2HH1 ARG 90 1HH1 ARG 90 12.353 -14.257 -1.652 745 1HH2 ARG 90 1HH2 ARG 90 8.995 -13.488 -1.247 746 2HH2 ARG 90 2HH2 ARG 90 10.451 -13.123 -2.112 747 H ASN 91 HN ASN 91 7.591 -19.526 2.014 748 HA ASN 91 HA ASN 91 5.102 -21.128 2.288 749 1HB ASN 91 2HB ASN 91 6.681 -22.690 3.567 750 2HB ASN 91 1HB ASN 91 7.006 -22.502 1.843 751 1HD2 ASN 91 1HD2 ASN 91 9.194 -22.214 1.443 752 2HD2 ASN 91 2HD2 ASN 91 10.279 -21.403 2.465 Start of MODEL 13 1 1H GLY 1 1H GLY 1 -13.934 20.053 -15.598 2 2H GLY 1 2H GLY 1 -12.362 20.694 -15.550 3 3H GLY 1 3H GLY 1 -13.023 19.962 -14.169 4 1HA GLY 1 1HA GLY 1 -13.028 18.121 -16.253 5 2HA GLY 1 2HA GLY 1 -11.373 18.791 -16.135 6 H SER 2 H SER 2 -10.831 16.653 -15.251 7 HA SER 2 HA SER 2 -12.625 15.418 -13.213 8 1HB SER 2 2HB SER 2 -11.966 14.364 -15.818 9 2HB SER 2 1HB SER 2 -11.313 13.311 -14.566 10 HG SER 2 HG SER 2 -13.274 12.752 -14.055 11 H ARG 3 H ARG 3 -10.152 17.025 -12.990 12 HA ARG 3 HA ARG 3 -8.084 15.067 -12.220 13 1HB ARG 3 2HB ARG 3 -8.242 18.048 -12.463 14 2HB ARG 3 1HB ARG 3 -7.021 17.361 -11.389 15 1HG ARG 3 2HG ARG 3 -5.823 16.444 -13.113 16 2HG ARG 3 1HG ARG 3 -7.265 16.105 -14.070 17 1HD ARG 3 2HD ARG 3 -6.080 18.863 -13.643 18 2HD ARG 3 1HD ARG 3 -5.866 17.887 -15.096 19 HE ARG 3 HE ARG 3 -8.666 18.356 -14.365 20 1HH1 ARG 3 2HH1 ARG 3 -6.248 20.456 -15.278 21 2HH1 ARG 3 1HH1 ARG 3 -6.970 20.933 -16.778 22 1HH2 ARG 3 1HH2 ARG 3 -9.451 18.514 -16.663 23 2HH2 ARG 3 2HH2 ARG 3 -8.782 19.835 -17.562 24 H ILE 4 H ILE 4 -10.281 14.553 -10.698 25 HA ILE 4 HA ILE 4 -10.046 16.046 -8.158 26 HB ILE 4 HB ILE 4 -11.909 14.555 -7.424 27 1HG1 ILE 4 2HG1 ILE 4 -12.555 13.528 -10.052 28 2HG1 ILE 4 1HG1 ILE 4 -10.963 12.960 -9.551 29 1HG2 ILE 4 1HG2 ILE 4 -12.778 16.506 -8.323 30 2HG2 ILE 4 2HG2 ILE 4 -13.473 15.323 -9.431 31 3HG2 ILE 4 3HG2 ILE 4 -12.037 16.233 -9.899 32 1HD1 ILE 4 1HD1 ILE 4 -12.682 12.804 -7.282 33 2HD1 ILE 4 2HD1 ILE 4 -11.933 11.477 -8.170 34 3HD1 ILE 4 3HD1 ILE 4 -13.526 12.067 -8.643 35 H ALA 5 H ALA 5 -9.190 15.162 -6.266 36 HA ALA 5 HA ALA 5 -7.115 13.254 -6.441 37 1HB ALA 5 1HB ALA 5 -6.927 13.451 -4.128 38 2HB ALA 5 2HB ALA 5 -8.673 13.532 -3.891 39 3HB ALA 5 3HB ALA 5 -7.802 14.933 -4.517 40 H LYS 6 H LYS 6 -7.331 11.138 -6.983 41 HA LYS 6 HA LYS 6 -9.723 9.678 -7.098 42 1HB LYS 6 2HB LYS 6 -7.617 8.921 -8.142 43 2HB LYS 6 1HB LYS 6 -6.941 8.598 -6.546 44 1HG LYS 6 2HG LYS 6 -7.797 6.518 -7.503 45 2HG LYS 6 1HG LYS 6 -8.793 6.985 -6.124 46 1HD LYS 6 2HD LYS 6 -9.868 8.259 -8.440 47 2HD LYS 6 1HD LYS 6 -9.615 6.557 -8.829 48 1HE LYS 6 2HE LYS 6 -10.974 5.830 -7.019 49 2HE LYS 6 1HE LYS 6 -10.956 7.426 -6.265 50 1HZ LYS 6 1HZ LYS 6 -12.817 6.434 -8.058 51 2HZ LYS 6 2HZ LYS 6 -11.935 7.611 -8.907 52 3HZ LYS 6 3HZ LYS 6 -12.711 8.015 -7.451 53 H ARG 7 H ARG 7 -7.292 8.627 -4.728 54 HA ARG 7 HA ARG 7 -9.432 7.885 -2.872 55 1HB ARG 7 2HB ARG 7 -6.630 7.245 -3.246 56 2HB ARG 7 1HB ARG 7 -6.942 7.679 -1.565 57 1HG ARG 7 2HG ARG 7 -9.015 5.949 -2.718 58 2HG ARG 7 1HG ARG 7 -7.419 5.196 -2.675 59 1HD ARG 7 2HD ARG 7 -8.702 4.792 -0.581 60 2HD ARG 7 1HD ARG 7 -7.215 5.693 -0.288 61 HE ARG 7 HE ARG 7 -8.702 7.769 -0.277 62 1HH1 ARG 7 2HH1 ARG 7 -10.829 5.338 -0.806 63 2HH1 ARG 7 1HH1 ARG 7 -11.769 5.554 0.632 64 1HH2 ARG 7 1HH2 ARG 7 -9.518 7.749 2.093 65 2HH2 ARG 7 2HH2 ARG 7 -11.027 6.919 2.273 66 H THR 8 H THR 8 -6.430 9.447 -1.862 67 HA THR 8 HA THR 8 -8.006 11.748 -0.810 68 HB THR 8 HB THR 8 -7.832 10.659 1.218 69 HG1 THR 8 HG1 THR 8 -6.638 12.392 1.692 70 1HG2 THR 8 1HG2 THR 8 -6.931 8.583 0.704 71 2HG2 THR 8 2HG2 THR 8 -5.628 9.273 1.672 72 3HG2 THR 8 3HG2 THR 8 -5.518 9.277 -0.088 73 H ALA 9 H ALA 9 -4.631 10.923 -0.139 74 HA ALA 9 HA ALA 9 -3.760 13.498 -1.182 75 1HB ALA 9 1HB ALA 9 -1.485 11.925 -0.863 76 2HB ALA 9 2HB ALA 9 -2.601 11.299 0.349 77 3HB ALA 9 3HB ALA 9 -2.170 13.007 0.348 78 H ILE 10 H ILE 10 -1.731 13.379 -2.766 79 HA ILE 10 HA ILE 10 -2.602 11.657 -5.045 80 HB ILE 10 HB ILE 10 -0.982 14.219 -5.055 81 1HG1 ILE 10 2HG1 ILE 10 -3.340 14.567 -6.496 82 2HG1 ILE 10 1HG1 ILE 10 -3.848 13.625 -5.093 83 1HG2 ILE 10 1HG2 ILE 10 -0.367 12.744 -6.909 84 2HG2 ILE 10 2HG2 ILE 10 -1.334 14.086 -7.519 85 3HG2 ILE 10 3HG2 ILE 10 -2.068 12.497 -7.305 86 1HD1 ILE 10 1HD1 ILE 10 -3.325 15.299 -3.606 87 2HD1 ILE 10 2HD1 ILE 10 -3.652 16.303 -5.018 88 3HD1 ILE 10 3HD1 ILE 10 -1.989 15.898 -4.589 89 H ASN 11 H ASN 11 -1.314 9.855 -4.054 90 HA ASN 11 HA ASN 11 1.591 10.142 -3.918 91 1HB ASN 11 2HB ASN 11 0.091 8.436 -2.641 92 2HB ASN 11 1HB ASN 11 0.117 7.513 -4.139 93 1HD2 ASN 11 1HD2 ASN 11 2.779 9.456 -2.694 94 2HD2 ASN 11 2HD2 ASN 11 3.847 8.147 -2.539 95 H LYS 12 H LYS 12 2.727 8.134 -5.291 96 HA LYS 12 HA LYS 12 3.111 8.882 -7.871 97 1HB LYS 12 2HB LYS 12 3.295 6.335 -6.437 98 2HB LYS 12 1HB LYS 12 3.065 6.139 -8.175 99 1HG LYS 12 2HG LYS 12 5.489 6.348 -7.378 100 2HG LYS 12 1HG LYS 12 4.996 7.432 -8.679 101 1HD LYS 12 2HD LYS 12 4.500 8.510 -5.984 102 2HD LYS 12 1HD LYS 12 6.206 8.240 -6.340 103 1HE LYS 12 2HE LYS 12 6.251 10.069 -7.652 104 2HE LYS 12 1HE LYS 12 4.946 9.418 -8.643 105 1HZ LYS 12 1HZ LYS 12 4.131 10.461 -6.067 106 2HZ LYS 12 2HZ LYS 12 3.418 10.660 -7.597 107 3HZ LYS 12 3HZ LYS 12 4.738 11.623 -7.143 108 H THR 13 H THR 13 1.323 9.648 -9.036 109 HA THR 13 HA THR 13 -1.176 8.202 -9.208 110 HB THR 13 HB THR 13 -0.343 10.160 -11.316 111 HG1 THR 13 HG1 THR 13 -1.001 11.781 -9.696 112 1HG2 THR 13 1HG2 THR 13 -2.610 10.659 -11.385 113 2HG2 THR 13 2HG2 THR 13 -2.862 10.215 -9.697 114 3HG2 THR 13 3HG2 THR 13 -2.660 8.960 -10.917 115 H LYS 14 H LYS 14 -2.042 7.221 -11.180 116 HA LYS 14 HA LYS 14 -0.413 5.241 -12.331 117 1HB LYS 14 2HB LYS 14 -3.030 6.485 -13.044 118 2HB LYS 14 1HB LYS 14 -2.235 5.507 -14.278 119 1HG LYS 14 2HG LYS 14 -2.609 3.570 -13.156 120 2HG LYS 14 1HG LYS 14 -2.232 4.294 -11.593 121 1HD LYS 14 2HD LYS 14 -4.487 5.514 -11.804 122 2HD LYS 14 1HD LYS 14 -4.843 4.379 -13.105 123 1HE LYS 14 2HE LYS 14 -3.978 2.638 -11.233 124 2HE LYS 14 1HE LYS 14 -4.626 3.897 -10.180 125 1HZ LYS 14 1HZ LYS 14 -6.515 3.649 -12.109 126 2HZ LYS 14 2HZ LYS 14 -6.587 2.947 -10.563 127 3HZ LYS 14 3HZ LYS 14 -6.009 2.047 -11.883 128 H LYS 15 H LYS 15 -1.262 8.451 -13.640 129 HA LYS 15 HA LYS 15 0.108 8.233 -16.108 130 1HB LYS 15 2HB LYS 15 -1.385 10.115 -15.570 131 2HB LYS 15 1HB LYS 15 -0.245 10.679 -14.347 132 1HG LYS 15 2HG LYS 15 1.164 11.575 -15.892 133 2HG LYS 15 1HG LYS 15 0.935 10.235 -17.017 134 1HD LYS 15 2HD LYS 15 -1.394 11.186 -17.464 135 2HD LYS 15 1HD LYS 15 -0.865 12.628 -16.596 136 1HE LYS 15 2HE LYS 15 0.841 11.533 -18.811 137 2HE LYS 15 1HE LYS 15 -0.572 12.509 -19.206 138 1HZ LYS 15 1HZ LYS 15 0.508 13.992 -17.297 139 2HZ LYS 15 2HZ LYS 15 0.897 14.176 -18.941 140 3HZ LYS 15 3HZ LYS 15 1.917 13.282 -17.917 141 H ALA 16 H ALA 16 1.301 9.607 -13.022 142 HA ALA 16 HA ALA 16 4.063 9.513 -14.082 143 1HB ALA 16 1HB ALA 16 2.857 10.598 -11.525 144 2HB ALA 16 2HB ALA 16 3.541 11.517 -12.865 145 3HB ALA 16 3HB ALA 16 4.594 10.561 -11.824 146 H ASP 17 H ASP 17 2.531 7.035 -13.504 147 HA ASP 17 HA ASP 17 3.694 5.925 -11.054 148 1HB ASP 17 2HB ASP 17 1.450 5.303 -12.347 149 2HB ASP 17 1HB ASP 17 2.525 4.186 -13.189 150 H VAL 18 H VAL 18 4.213 5.527 -14.569 151 HA VAL 18 HA VAL 18 6.444 3.690 -14.097 152 HB VAL 18 HB VAL 18 5.851 5.086 -16.701 153 1HG1 VAL 18 1HG1 VAL 18 7.114 2.486 -15.838 154 2HG1 VAL 18 2HG1 VAL 18 7.813 3.766 -16.828 155 3HG1 VAL 18 3HG1 VAL 18 6.550 2.730 -17.490 156 1HG2 VAL 18 1HG2 VAL 18 4.477 2.773 -16.938 157 2HG2 VAL 18 2HG2 VAL 18 3.723 4.277 -16.411 158 3HG2 VAL 18 3HG2 VAL 18 4.231 3.081 -15.219 159 H LYS 19 H LYS 19 6.052 7.059 -14.023 160 HA LYS 19 HA LYS 19 8.865 7.574 -14.823 161 1HB LYS 19 2HB LYS 19 8.312 9.865 -14.915 162 2HB LYS 19 1HB LYS 19 6.853 9.068 -15.495 163 1HG LYS 19 2HG LYS 19 5.793 9.299 -13.328 164 2HG LYS 19 1HG LYS 19 7.285 9.919 -12.619 165 1HD LYS 19 2HD LYS 19 6.482 11.419 -14.994 166 2HD LYS 19 1HD LYS 19 5.255 11.461 -13.729 167 1HE LYS 19 2HE LYS 19 6.493 12.902 -12.524 168 2HE LYS 19 1HE LYS 19 7.855 11.783 -12.538 169 1HZ LYS 19 1HZ LYS 19 7.177 13.664 -14.733 170 2HZ LYS 19 2HZ LYS 19 8.527 12.634 -14.671 171 3HZ LYS 19 3HZ LYS 19 8.387 13.922 -13.573 172 H ALA 20 H ALA 20 6.720 7.865 -11.996 173 HA ALA 20 HA ALA 20 8.913 8.710 -10.233 174 1HB ALA 20 1HB ALA 20 7.008 9.485 -9.256 175 2HB ALA 20 2HB ALA 20 6.935 7.866 -8.559 176 3HB ALA 20 3HB ALA 20 6.004 8.247 -10.006 177 H ILE 21 H ILE 21 7.525 5.723 -11.344 178 HA ILE 21 HA ILE 21 8.607 4.126 -9.148 179 HB ILE 21 HB ILE 21 7.443 3.447 -11.859 180 1HG1 ILE 21 2HG1 ILE 21 5.499 2.973 -10.738 181 2HG1 ILE 21 1HG1 ILE 21 6.347 2.388 -9.317 182 1HG2 ILE 21 1HG2 ILE 21 7.649 1.162 -10.160 183 2HG2 ILE 21 2HG2 ILE 21 9.248 1.877 -10.307 184 3HG2 ILE 21 3HG2 ILE 21 8.361 1.401 -11.753 185 1HD1 ILE 21 1HD1 ILE 21 5.098 4.467 -8.828 186 2HD1 ILE 21 2HD1 ILE 21 6.023 5.308 -10.072 187 3HD1 ILE 21 3HD1 ILE 21 6.834 4.701 -8.630 188 H ALA 22 H ALA 22 9.753 5.330 -12.239 189 HA ALA 22 HA ALA 22 12.118 3.548 -12.126 190 1HB ALA 22 1HB ALA 22 11.600 3.755 -14.354 191 2HB ALA 22 2HB ALA 22 12.654 5.161 -14.210 192 3HB ALA 22 3HB ALA 22 10.903 5.362 -14.150 193 H ASP 23 H ASP 23 11.241 6.892 -11.550 194 HA ASP 23 HA ASP 23 14.066 7.660 -11.128 195 1HB ASP 23 2HB ASP 23 12.299 9.127 -12.317 196 2HB ASP 23 1HB ASP 23 11.654 9.428 -10.704 197 H ALA 24 H ALA 24 11.365 6.572 -9.301 198 HA ALA 24 HA ALA 24 12.416 7.781 -6.807 199 1HB ALA 24 1HB ALA 24 10.420 6.980 -5.728 200 2HB ALA 24 2HB ALA 24 10.027 5.946 -7.102 201 3HB ALA 24 3HB ALA 24 9.933 7.699 -7.263 202 H TRP 25 H TRP 25 12.227 6.049 -4.888 203 HA TRP 25 HA TRP 25 13.127 4.155 -3.885 204 1HB TRP 25 2HB TRP 25 13.652 2.724 -6.434 205 2HB TRP 25 1HB TRP 25 13.046 2.115 -4.914 206 HD1 TRP 25 HD1 TRP 25 10.706 4.831 -5.773 207 HE1 TRP 25 HE1 TRP 25 8.699 3.931 -7.051 208 HE3 TRP 25 HE3 TRP 25 12.374 0.135 -6.933 209 HZ2 TRP 25 HZ2 TRP 25 7.895 1.552 -8.378 210 HZ3 TRP 25 HZ3 TRP 25 10.929 -1.404 -8.204 211 HH2 TRP 25 HH2 TRP 25 8.701 -0.684 -8.937 212 H GLN 26 H GLN 26 15.198 2.525 -5.598 213 HA GLN 26 HA GLN 26 17.423 4.427 -5.091 214 1HB GLN 26 2HB GLN 26 17.275 2.001 -4.142 215 2HB GLN 26 1HB GLN 26 17.734 1.511 -5.772 216 1HG GLN 26 2HG GLN 26 19.865 1.809 -5.058 217 2HG GLN 26 1HG GLN 26 19.531 3.528 -5.274 218 1HE2 GLN 26 1HE2 GLN 26 18.325 4.521 -3.218 219 2HE2 GLN 26 2HE2 GLN 26 18.953 4.046 -1.715 220 H ILE 27 H ILE 27 16.589 5.463 -7.282 221 HA ILE 27 HA ILE 27 17.689 3.953 -9.607 222 HB ILE 27 HB ILE 27 15.853 4.738 -10.683 223 1HG1 ILE 27 2HG1 ILE 27 17.504 6.597 -11.293 224 2HG1 ILE 27 1HG1 ILE 27 15.796 6.986 -11.475 225 1HG2 ILE 27 1HG2 ILE 27 15.210 6.772 -8.585 226 2HG2 ILE 27 2HG2 ILE 27 15.049 5.058 -8.239 227 3HG2 ILE 27 3HG2 ILE 27 14.131 5.773 -9.554 228 1HD1 ILE 27 1HD1 ILE 27 17.458 8.641 -10.214 229 2HD1 ILE 27 2HD1 ILE 27 17.093 7.585 -8.849 230 3HD1 ILE 27 3HD1 ILE 27 15.792 8.437 -9.676 231 H ASN 28 H ASN 28 18.393 6.509 -7.455 232 HA ASN 28 HA ASN 28 20.943 7.001 -8.749 233 1HB ASN 28 2HB ASN 28 19.309 8.417 -10.089 234 2HB ASN 28 1HB ASN 28 19.030 9.345 -8.614 235 1HD2 ASN 28 1HD2 ASN 28 21.301 10.019 -7.516 236 2HD2 ASN 28 2HD2 ASN 28 22.447 10.644 -8.598 237 H GLY 29 H GLY 29 18.530 8.049 -6.378 238 1HA GLY 29 2HA GLY 29 19.100 8.062 -3.993 239 2HA GLY 29 1HA GLY 29 20.762 8.447 -4.443 240 H GLU 30 H GLU 30 19.790 10.393 -6.493 241 HA GLU 30 HA GLU 30 19.074 12.594 -4.603 242 1HB GLU 30 2HB GLU 30 21.280 12.919 -5.604 243 2HB GLU 30 1HB GLU 30 20.609 12.682 -7.218 244 1HG GLU 30 2HG GLU 30 20.088 14.865 -7.329 245 2HG GLU 30 1HG GLU 30 19.061 14.695 -5.905 246 H LYS 31 H LYS 31 18.350 11.009 -7.643 247 HA LYS 31 HA LYS 31 16.289 12.983 -8.363 248 1HB LYS 31 2HB LYS 31 17.413 10.491 -9.595 249 2HB LYS 31 1HB LYS 31 15.812 11.033 -10.101 250 1HG LYS 31 2HG LYS 31 17.088 12.241 -11.594 251 2HG LYS 31 1HG LYS 31 17.075 13.385 -10.252 252 1HD LYS 31 2HD LYS 31 19.196 12.103 -9.446 253 2HD LYS 31 1HD LYS 31 19.269 11.510 -11.106 254 1HE LYS 31 2HE LYS 31 18.813 14.420 -10.829 255 2HE LYS 31 1HE LYS 31 20.393 13.853 -10.292 256 1HZ LYS 31 1HZ LYS 31 20.991 13.262 -12.366 257 2HZ LYS 31 2HZ LYS 31 19.838 14.424 -12.817 258 3HZ LYS 31 3HZ LYS 31 19.430 12.775 -12.812 259 H GLU 32 H GLU 32 16.535 9.824 -6.837 260 HA GLU 32 HA GLU 32 13.637 9.381 -6.886 261 1HB GLU 32 2HB GLU 32 14.148 7.434 -5.450 262 2HB GLU 32 1HB GLU 32 15.198 7.455 -6.870 263 1HG GLU 32 2HG GLU 32 16.753 7.081 -5.182 264 2HG GLU 32 1HG GLU 32 16.793 8.841 -5.284 265 H LEU 33 H LEU 33 16.039 10.648 -4.617 266 HA LEU 33 HA LEU 33 14.240 10.771 -2.369 267 1HB LEU 33 2HB LEU 33 15.951 11.868 -1.257 268 2HB LEU 33 1HB LEU 33 16.887 11.124 -2.550 269 HG LEU 33 HG LEU 33 16.379 13.326 -3.861 270 1HD1 LEU 33 1HD1 LEU 33 16.444 14.887 -1.438 271 2HD1 LEU 33 2HD1 LEU 33 15.029 13.836 -1.422 272 3HD1 LEU 33 3HD1 LEU 33 15.280 14.955 -2.762 273 1HD2 LEU 33 1HD2 LEU 33 18.195 13.616 -1.465 274 2HD2 LEU 33 2HD2 LEU 33 18.431 14.240 -3.097 275 3HD2 LEU 33 3HD2 LEU 33 18.581 12.511 -2.783 276 H GLU 34 H GLU 34 14.629 12.632 -5.254 277 HA GLU 34 HA GLU 34 13.418 15.071 -4.366 278 1HB GLU 34 2HB GLU 34 14.781 14.554 -6.534 279 2HB GLU 34 1HB GLU 34 13.225 14.031 -7.185 280 1HG GLU 34 2HG GLU 34 12.374 16.145 -7.216 281 2HG GLU 34 1HG GLU 34 13.209 16.588 -5.727 282 H LEU 35 H LEU 35 12.067 12.296 -6.240 283 HA LEU 35 HA LEU 35 9.435 13.175 -6.381 284 1HB LEU 35 2HB LEU 35 10.406 10.991 -7.325 285 2HB LEU 35 1HB LEU 35 10.160 10.303 -5.722 286 HG LEU 35 HG LEU 35 8.289 10.166 -7.669 287 1HD1 LEU 35 1HD1 LEU 35 7.882 10.483 -4.685 288 2HD1 LEU 35 2HD1 LEU 35 8.017 8.983 -5.604 289 3HD1 LEU 35 3HD1 LEU 35 6.588 9.995 -5.774 290 1HD2 LEU 35 1HD2 LEU 35 6.573 11.866 -7.311 291 2HD2 LEU 35 2HD2 LEU 35 8.087 12.650 -7.760 292 3HD2 LEU 35 3HD2 LEU 35 7.566 12.641 -6.077 293 H LEU 36 H LEU 36 10.823 11.144 -3.776 294 HA LEU 36 HA LEU 36 8.549 11.341 -2.087 295 1HB LEU 36 2HB LEU 36 10.711 9.822 -1.957 296 2HB LEU 36 1HB LEU 36 11.318 11.139 -0.948 297 HG LEU 36 HG LEU 36 10.152 9.360 0.372 298 1HD1 LEU 36 1HD1 LEU 36 9.255 10.934 1.816 299 2HD1 LEU 36 2HD1 LEU 36 8.386 11.761 0.530 300 3HD1 LEU 36 3HD1 LEU 36 10.111 12.032 0.734 301 1HD2 LEU 36 1HD2 LEU 36 8.463 9.137 -1.661 302 2HD2 LEU 36 2HD2 LEU 36 7.580 10.386 -0.787 303 3HD2 LEU 36 3HD2 LEU 36 7.909 8.835 -0.014 304 H GLN 37 H GLN 37 11.203 13.507 -2.710 305 HA GLN 37 HA GLN 37 11.185 15.095 -0.405 306 1HB GLN 37 2HB GLN 37 12.588 15.324 -2.599 307 2HB GLN 37 1HB GLN 37 11.265 16.354 -3.145 308 1HG GLN 37 2HG GLN 37 11.843 18.050 -1.745 309 2HG GLN 37 1HG GLN 37 12.229 16.950 -0.420 310 1HE2 GLN 37 1HE2 GLN 37 13.626 16.865 -3.717 311 2HE2 GLN 37 2HE2 GLN 37 15.218 17.181 -3.223 312 H GLN 38 H GLN 38 8.700 14.631 -2.726 313 HA GLN 38 HA GLN 38 6.979 16.513 -1.229 314 1HB GLN 38 2HB GLN 38 8.090 17.310 -3.617 315 2HB GLN 38 1HB GLN 38 6.565 16.602 -4.147 316 1HG GLN 38 2HG GLN 38 5.281 18.147 -2.982 317 2HG GLN 38 1HG GLN 38 6.547 18.455 -1.792 318 1HE2 GLN 38 1HE2 GLN 38 8.153 20.061 -2.295 319 2HE2 GLN 38 2HE2 GLN 38 8.060 21.040 -3.679 320 H ILE 39 H ILE 39 7.353 13.465 -1.831 321 HA ILE 39 HA ILE 39 4.559 13.061 -2.734 322 HB ILE 39 HB ILE 39 7.035 11.687 -3.539 323 1HG1 ILE 39 2HG1 ILE 39 5.803 11.606 -5.641 324 2HG1 ILE 39 1HG1 ILE 39 4.319 12.081 -4.831 325 1HG2 ILE 39 1HG2 ILE 39 6.013 9.794 -2.475 326 2HG2 ILE 39 2HG2 ILE 39 5.586 9.672 -4.182 327 3HG2 ILE 39 3HG2 ILE 39 4.408 10.277 -3.018 328 1HD1 ILE 39 1HD1 ILE 39 6.614 13.903 -4.426 329 2HD1 ILE 39 2HD1 ILE 39 4.922 14.277 -4.731 330 3HD1 ILE 39 3HD1 ILE 39 5.983 13.840 -6.070 331 H ALA 40 H ALA 40 6.866 12.250 -0.205 332 HA ALA 40 HA ALA 40 5.146 10.081 0.836 333 1HB ALA 40 1HB ALA 40 7.452 11.566 2.133 334 2HB ALA 40 2HB ALA 40 7.517 9.960 1.411 335 3HB ALA 40 3HB ALA 40 6.588 10.226 2.879 336 H GLN 41 H GLN 41 5.050 13.388 0.743 337 HA GLN 41 HA GLN 41 3.575 13.602 3.301 338 1HB GLN 41 2HB GLN 41 4.342 15.894 1.522 339 2HB GLN 41 1HB GLN 41 4.107 15.894 3.272 340 1HG GLN 41 2HG GLN 41 6.174 14.775 3.666 341 2HG GLN 41 1HG GLN 41 6.297 14.250 1.995 342 1HE2 GLN 41 1HE2 GLN 41 7.780 15.395 0.831 343 2HE2 GLN 41 2HE2 GLN 41 8.180 17.021 1.081 344 H LYS 42 H LYS 42 3.151 13.320 -0.030 345 HA LYS 42 HA LYS 42 0.293 14.089 0.310 346 1HB LYS 42 2HB LYS 42 0.394 14.866 -2.136 347 2HB LYS 42 1HB LYS 42 1.128 15.922 -0.931 348 1HG LYS 42 2HG LYS 42 2.917 15.862 -2.347 349 2HG LYS 42 1HG LYS 42 3.248 14.329 -1.546 350 1HD LYS 42 2HD LYS 42 3.316 13.862 -3.884 351 2HD LYS 42 1HD LYS 42 1.770 13.235 -3.317 352 1HE LYS 42 2HE LYS 42 0.593 15.164 -4.151 353 2HE LYS 42 1HE LYS 42 2.104 15.999 -4.507 354 1HZ LYS 42 1HZ LYS 42 2.115 15.055 -6.492 355 2HZ LYS 42 2HZ LYS 42 0.664 14.243 -6.144 356 3HZ LYS 42 3HZ LYS 42 2.154 13.514 -5.784 357 HA PRO 43 HA PRO 43 1.116 10.022 -2.078 358 1HB PRO 43 2HB PRO 43 1.097 8.179 -0.040 359 2HB PRO 43 1HB PRO 43 2.579 8.894 -0.694 360 1HG PRO 43 2HG PRO 43 1.164 9.524 1.863 361 2HG PRO 43 1HG PRO 43 2.896 9.580 1.485 362 1HD PRO 43 2HD PRO 43 1.252 11.836 1.607 363 2HD PRO 43 1HD PRO 43 2.791 11.727 0.735 364 H GLY 44 H GLY 44 -0.412 8.834 0.837 365 1HA GLY 44 2HA GLY 44 -2.679 8.443 1.356 366 2HA GLY 44 1HA GLY 44 -3.123 9.548 0.053 367 H ALA 45 H ALA 45 -0.958 7.446 -1.282 368 HA ALA 45 HA ALA 45 -2.940 5.319 -1.844 369 1HB ALA 45 1HB ALA 45 -3.450 6.046 -3.905 370 2HB ALA 45 2HB ALA 45 -1.740 6.126 -4.333 371 3HB ALA 45 3HB ALA 45 -2.528 7.513 -3.580 372 H LEU 46 H LEU 46 0.254 6.126 -1.162 373 HA LEU 46 HA LEU 46 1.836 4.537 -2.819 374 1HB LEU 46 2HB LEU 46 2.996 5.733 -1.157 375 2HB LEU 46 1HB LEU 46 1.957 5.139 0.130 376 HG LEU 46 HG LEU 46 4.387 4.197 -0.104 377 1HD1 LEU 46 1HD1 LEU 46 3.329 3.082 1.549 378 2HD1 LEU 46 2HD1 LEU 46 3.173 1.795 0.356 379 3HD1 LEU 46 3HD1 LEU 46 1.840 2.917 0.624 380 1HD2 LEU 46 1HD2 LEU 46 3.654 1.881 -1.551 381 2HD2 LEU 46 2HD2 LEU 46 4.855 3.080 -2.005 382 3HD2 LEU 46 3HD2 LEU 46 3.198 3.242 -2.571 383 H ARG 47 H ARG 47 -0.253 3.495 -0.148 384 HA ARG 47 HA ARG 47 0.467 0.797 0.046 385 1HB ARG 47 2HB ARG 47 -2.185 2.200 0.321 386 2HB ARG 47 1HB ARG 47 -2.051 0.456 0.548 387 1HG ARG 47 2HG ARG 47 -1.278 0.783 2.633 388 2HG ARG 47 1HG ARG 47 0.086 1.694 1.983 389 1HD ARG 47 2HD ARG 47 -1.900 3.545 1.763 390 2HD ARG 47 1HD ARG 47 -2.425 2.672 3.202 391 HE ARG 47 HE ARG 47 0.406 3.416 3.238 392 1HH1 ARG 47 2HH1 ARG 47 -2.329 5.299 3.126 393 2HH1 ARG 47 1HH1 ARG 47 -2.139 6.008 4.696 394 1HH2 ARG 47 1HH2 ARG 47 0.446 3.891 5.628 395 2HH2 ARG 47 2HH2 ARG 47 -0.567 5.208 6.113 396 H ILE 48 H ILE 48 -1.975 2.168 -2.208 397 HA ILE 48 HA ILE 48 -2.754 -0.207 -3.467 398 HB ILE 48 HB ILE 48 -2.211 2.426 -4.876 399 1HG1 ILE 48 2HG1 ILE 48 -4.949 1.733 -3.998 400 2HG1 ILE 48 1HG1 ILE 48 -3.823 2.093 -2.688 401 1HG2 ILE 48 1HG2 ILE 48 -4.358 0.414 -5.526 402 2HG2 ILE 48 2HG2 ILE 48 -2.728 0.227 -6.174 403 3HG2 ILE 48 3HG2 ILE 48 -3.671 1.668 -6.559 404 1HD1 ILE 48 1HD1 ILE 48 -3.667 4.292 -3.256 405 2HD1 ILE 48 2HD1 ILE 48 -5.192 3.997 -4.093 406 3HD1 ILE 48 3HD1 ILE 48 -3.671 3.942 -4.985 407 H LEU 49 H LEU 49 -0.283 1.948 -4.919 408 HA LEU 49 HA LEU 49 0.785 -0.258 -6.479 409 1HB LEU 49 2HB LEU 49 2.367 2.248 -5.964 410 2HB LEU 49 1HB LEU 49 2.219 1.309 -7.448 411 HG LEU 49 HG LEU 49 -0.393 2.221 -6.797 412 1HD1 LEU 49 1HD1 LEU 49 1.638 4.471 -6.836 413 2HD1 LEU 49 2HD1 LEU 49 0.818 3.911 -5.379 414 3HD1 LEU 49 3HD1 LEU 49 -0.112 4.627 -6.696 415 1HD2 LEU 49 1HD2 LEU 49 0.801 3.780 -8.875 416 2HD2 LEU 49 2HD2 LEU 49 -0.287 2.401 -9.037 417 3HD2 LEU 49 3HD2 LEU 49 1.458 2.146 -8.973 418 H ASN 50 H ASN 50 1.013 0.434 -3.239 419 HA ASN 50 HA ASN 50 3.809 -0.023 -2.716 420 1HB ASN 50 2HB ASN 50 2.280 0.881 -0.963 421 2HB ASN 50 1HB ASN 50 1.411 -0.645 -0.948 422 1HD2 ASN 50 1HD2 ASN 50 4.916 -0.613 -1.364 423 2HD2 ASN 50 2HD2 ASN 50 5.282 -1.236 0.171 424 H HIS 51 H HIS 51 1.010 -2.077 -3.196 425 HA HIS 51 HA HIS 51 1.800 -4.555 -2.290 426 1HB HIS 51 2HB HIS 51 -0.290 -4.144 -3.561 427 2HB HIS 51 1HB HIS 51 0.649 -3.936 -5.038 428 HD1 HIS 51 HD1 HIS 51 0.293 -6.599 -2.320 429 HD2 HIS 51 HD2 HIS 51 0.862 -6.300 -6.439 430 HE1 HIS 51 HE1 HIS 51 0.320 -8.966 -3.214 431 H SER 52 H SER 52 3.209 -2.682 -4.902 432 HA SER 52 HA SER 52 5.323 -4.754 -5.125 433 1HB SER 52 2HB SER 52 4.673 -3.122 -7.509 434 2HB SER 52 1HB SER 52 5.123 -4.822 -7.394 435 HG SER 52 HG SER 52 3.001 -5.173 -6.519 436 H LEU 53 H LEU 53 4.576 -1.575 -4.308 437 HA LEU 53 HA LEU 53 7.086 -0.443 -5.354 438 1HB LEU 53 2HB LEU 53 4.610 0.700 -4.470 439 2HB LEU 53 1HB LEU 53 5.899 1.332 -3.451 440 HG LEU 53 HG LEU 53 7.092 2.216 -5.295 441 1HD1 LEU 53 1HD1 LEU 53 6.188 1.672 -7.666 442 2HD1 LEU 53 2HD1 LEU 53 5.407 0.305 -6.880 443 3HD1 LEU 53 3HD1 LEU 53 7.157 0.455 -6.843 444 1HD2 LEU 53 1HD2 LEU 53 4.952 3.057 -6.806 445 2HD2 LEU 53 2HD2 LEU 53 5.496 3.831 -5.317 446 3HD2 LEU 53 3HD2 LEU 53 4.182 2.654 -5.271 447 H ARG 54 H ARG 54 5.957 -2.038 -2.582 448 HA ARG 54 HA ARG 54 7.667 -1.011 -0.575 449 1HB ARG 54 2HB ARG 54 5.865 -2.897 -0.435 450 2HB ARG 54 1HB ARG 54 7.172 -3.974 -0.927 451 1HG ARG 54 2HG ARG 54 8.482 -2.713 1.015 452 2HG ARG 54 1HG ARG 54 6.849 -2.422 1.613 453 1HD ARG 54 2HD ARG 54 6.382 -4.739 1.799 454 2HD ARG 54 1HD ARG 54 7.757 -5.179 0.784 455 HE ARG 54 HE ARG 54 9.238 -4.596 2.659 456 1HH1 ARG 54 2HH1 ARG 54 7.983 -6.678 4.061 457 2HH1 ARG 54 1HH1 ARG 54 7.215 -5.935 5.424 458 1HH2 ARG 54 2HH2 ARG 54 6.845 -3.706 5.438 459 2HH2 ARG 54 1HH2 ARG 54 7.329 -2.740 4.084 460 H LEU 55 H LEU 55 8.295 -2.753 -3.495 461 HA LEU 55 HA LEU 55 10.847 -3.906 -2.922 462 1HB LEU 55 2HB LEU 55 9.144 -3.483 -5.220 463 2HB LEU 55 1HB LEU 55 10.812 -3.081 -5.627 464 HG LEU 55 HG LEU 55 10.140 -5.531 -5.942 465 1HD1 LEU 55 1HD1 LEU 55 12.313 -6.060 -4.297 466 2HD1 LEU 55 2HD1 LEU 55 12.500 -4.347 -4.677 467 3HD1 LEU 55 3HD1 LEU 55 12.402 -5.534 -5.978 468 1HD2 LEU 55 1HD2 LEU 55 9.675 -6.866 -4.112 469 2HD2 LEU 55 2HD2 LEU 55 9.014 -5.343 -3.516 470 3HD2 LEU 55 3HD2 LEU 55 10.620 -5.864 -3.011 471 H ALA 56 H ALA 56 9.868 -0.724 -4.091 472 HA ALA 56 HA ALA 56 11.986 0.613 -4.995 473 1HB ALA 56 1HB ALA 56 11.292 2.596 -3.825 474 2HB ALA 56 2HB ALA 56 10.566 1.643 -2.530 475 3HB ALA 56 3HB ALA 56 9.842 1.643 -4.137 476 H ALA 57 H ALA 57 11.758 -0.485 -1.620 477 HA ALA 57 HA ALA 57 14.591 0.366 -1.220 478 1HB ALA 57 1HB ALA 57 12.673 -0.569 0.924 479 2HB ALA 57 2HB ALA 57 12.746 1.113 0.400 480 3HB ALA 57 3HB ALA 57 14.163 0.353 1.126 481 H MET 58 H MET 58 12.422 -2.393 -1.286 482 HA MET 58 HA MET 58 14.111 -4.330 -0.050 483 1HB MET 58 2HB MET 58 11.611 -4.325 -1.280 484 2HB MET 58 1HB MET 58 12.588 -5.389 -2.295 485 1HG MET 58 2HG MET 58 13.240 -6.710 -0.347 486 2HG MET 58 1HG MET 58 12.372 -5.609 0.723 487 1HE MET 58 1HE MET 58 12.706 -8.420 -1.099 488 2HE MET 58 2HE MET 58 11.401 -8.542 -2.278 489 3HE MET 58 3HE MET 58 11.251 -9.351 -0.719 490 H THR 59 H THR 59 16.264 -3.891 -0.831 491 HA THR 59 HA THR 59 16.748 -4.387 -3.716 492 HB THR 59 HB THR 59 17.907 -2.489 -2.555 493 HG1 THR 59 HG1 THR 59 19.088 -4.518 -3.953 494 1HG2 THR 59 1HG2 THR 59 19.893 -4.135 -1.229 495 2HG2 THR 59 2HG2 THR 59 18.287 -4.417 -0.558 496 3HG2 THR 59 3HG2 THR 59 18.955 -2.785 -0.589 497 H ALA 60 H ALA 60 15.927 -6.438 -1.609 498 HA ALA 60 HA ALA 60 18.248 -8.290 -1.976 499 1HB ALA 60 1HB ALA 60 18.040 -8.927 0.181 500 2HB ALA 60 2HB ALA 60 16.298 -9.137 0.016 501 3HB ALA 60 3HB ALA 60 16.962 -7.548 0.394 502 H HIS 61 H HIS 61 15.281 -7.585 -3.198 503 HA HIS 61 HA HIS 61 13.974 -10.135 -3.307 504 1HB HIS 61 2HB HIS 61 13.059 -7.774 -3.909 505 2HB HIS 61 1HB HIS 61 13.784 -8.063 -5.490 506 HD1 HIS 61 HD1 HIS 61 12.273 -10.877 -3.504 507 HD2 HIS 61 HD2 HIS 61 11.268 -8.477 -6.764 508 HE1 HIS 61 HE1 HIS 61 10.224 -11.926 -4.564 509 H GLY 62 H GLY 62 15.729 -11.598 -3.798 510 1HA GLY 62 2HA GLY 62 17.231 -11.340 -6.275 511 2HA GLY 62 1HA GLY 62 17.220 -12.752 -5.219 512 H LYS 63 H LYS 63 14.082 -12.364 -5.529 513 HA LYS 63 HA LYS 63 13.657 -14.515 -7.319 514 1HB LYS 63 2HB LYS 63 12.056 -12.786 -5.741 515 2HB LYS 63 1HB LYS 63 11.409 -12.715 -7.381 516 1HG LYS 63 2HG LYS 63 12.126 -15.434 -6.553 517 2HG LYS 63 1HG LYS 63 10.877 -14.711 -5.539 518 1HD LYS 63 2HD LYS 63 9.648 -14.069 -7.645 519 2HD LYS 63 1HD LYS 63 10.829 -15.012 -8.552 520 1HE LYS 63 2HE LYS 63 10.092 -16.784 -6.585 521 2HE LYS 63 1HE LYS 63 8.579 -15.929 -6.892 522 1HZ LYS 63 1HZ LYS 63 9.961 -16.562 -9.306 523 2HZ LYS 63 2HZ LYS 63 8.362 -16.917 -8.852 524 3HZ LYS 63 3HZ LYS 63 9.627 -17.955 -8.397 525 H GLY 64 H GLY 64 13.884 -11.044 -7.908 526 1HA GLY 64 2HA GLY 64 14.684 -11.280 -10.598 527 2HA GLY 64 1HA GLY 64 12.928 -11.092 -10.618 528 H GLU 65 H GLU 65 15.881 -9.424 -10.446 529 HA GLU 65 HA GLU 65 14.457 -6.863 -10.225 530 1HB GLU 65 2HB GLU 65 15.854 -6.042 -8.360 531 2HB GLU 65 1HB GLU 65 14.880 -7.426 -7.859 532 1HG GLU 65 2HG GLU 65 16.859 -8.255 -7.101 533 2HG GLU 65 1HG GLU 65 17.126 -8.672 -8.793 534 H ARG 66 H ARG 66 15.543 -5.284 -11.373 535 HA ARG 66 HA ARG 66 17.937 -6.128 -12.849 536 1HB ARG 66 2HB ARG 66 15.814 -4.490 -13.462 537 2HB ARG 66 1HB ARG 66 17.081 -3.319 -13.095 538 1HG ARG 66 2HG ARG 66 18.271 -5.386 -14.647 539 2HG ARG 66 1HG ARG 66 16.771 -4.925 -15.453 540 1HD ARG 66 2HD ARG 66 17.682 -2.470 -14.864 541 2HD ARG 66 1HD ARG 66 19.229 -3.313 -14.953 542 HE ARG 66 HE ARG 66 17.255 -3.289 -17.204 543 1HH1 ARG 66 2HH1 ARG 66 18.889 -5.080 -18.289 544 2HH1 ARG 66 1HH1 ARG 66 20.353 -4.291 -18.772 545 1HH2 ARG 66 2HH2 ARG 66 20.879 -2.266 -17.922 546 2HH2 ARG 66 1HH2 ARG 66 19.817 -1.500 -16.788 547 H VAL 67 H VAL 67 18.935 -3.295 -12.959 548 HA VAL 67 HA VAL 67 19.857 -2.800 -10.203 549 HB VAL 67 HB VAL 67 22.290 -2.758 -11.237 550 1HG1 VAL 67 1HG1 VAL 67 21.681 -5.558 -10.858 551 2HG1 VAL 67 2HG1 VAL 67 20.782 -4.582 -9.696 552 3HG1 VAL 67 3HG1 VAL 67 22.539 -4.457 -9.781 553 1HG2 VAL 67 1HG2 VAL 67 22.609 -4.519 -12.920 554 2HG2 VAL 67 2HG2 VAL 67 21.493 -3.298 -13.532 555 3HG2 VAL 67 3HG2 VAL 67 20.875 -4.838 -12.937 556 H ASN 68 H ASN 68 18.268 -1.110 -11.612 557 HA ASN 68 HA ASN 68 19.698 1.326 -11.659 558 1HB ASN 68 2HB ASN 68 20.140 -0.247 -14.000 559 2HB ASN 68 1HB ASN 68 19.148 1.138 -14.458 560 1HD2 ASN 68 1HD2 ASN 68 20.572 2.691 -15.271 561 2HD2 ASN 68 2HD2 ASN 68 22.014 3.170 -14.515 562 H GLU 69 H GLU 69 18.339 2.873 -13.427 563 HA GLU 69 HA GLU 69 15.862 3.374 -12.306 564 1HB GLU 69 2HB GLU 69 15.216 4.359 -14.554 565 2HB GLU 69 1HB GLU 69 16.757 4.928 -13.910 566 1HG GLU 69 2HG GLU 69 17.905 3.163 -15.285 567 2HG GLU 69 1HG GLU 69 16.347 2.795 -16.024 568 H ASP 70 H ASP 70 16.669 0.865 -14.633 569 HA ASP 70 HA ASP 70 13.913 0.206 -15.266 570 1HB ASP 70 2HB ASP 70 15.990 -1.917 -15.411 571 2HB ASP 70 1HB ASP 70 14.767 -1.457 -16.594 572 H TYR 71 H TYR 71 16.362 -1.169 -13.076 573 HA TYR 71 HA TYR 71 15.282 -3.332 -11.884 574 1HB TYR 71 2HB TYR 71 17.176 -2.440 -10.801 575 2HB TYR 71 1HB TYR 71 16.433 -0.855 -10.612 576 HD1 TYR 71 HD1 TYR 71 16.038 -0.318 -8.407 577 HD2 TYR 71 HD2 TYR 71 15.423 -4.371 -9.694 578 HE1 TYR 71 HE1 TYR 71 15.260 -0.916 -6.131 579 HE2 TYR 71 HE2 TYR 71 14.645 -4.969 -7.414 580 HH TYR 71 HH TYR 71 15.226 -3.624 -4.859 581 H LEU 72 H LEU 72 14.212 -0.056 -11.097 582 HA LEU 72 HA LEU 72 12.241 -0.727 -9.267 583 1HB LEU 72 2HB LEU 72 11.889 1.494 -11.247 584 2HB LEU 72 1HB LEU 72 11.352 1.422 -9.568 585 HG LEU 72 HG LEU 72 14.181 1.683 -10.586 586 1HD1 LEU 72 1HD1 LEU 72 12.818 3.719 -10.387 587 2HD1 LEU 72 2HD1 LEU 72 14.109 3.698 -9.188 588 3HD1 LEU 72 3HD1 LEU 72 12.455 3.311 -8.713 589 1HD2 LEU 72 1HD2 LEU 72 13.779 0.014 -8.618 590 2HD2 LEU 72 2HD2 LEU 72 13.402 1.462 -7.695 591 3HD2 LEU 72 3HD2 LEU 72 14.990 1.273 -8.419 592 H ARG 73 H ARG 73 11.763 -0.153 -12.739 593 HA ARG 73 HA ARG 73 8.998 -1.067 -12.581 594 1HB ARG 73 2HB ARG 73 10.739 -0.954 -15.076 595 2HB ARG 73 1HB ARG 73 8.977 -0.890 -14.997 596 1HG ARG 73 2HG ARG 73 8.966 1.323 -14.514 597 2HG ARG 73 1HG ARG 73 10.289 1.162 -13.358 598 1HD ARG 73 2HD ARG 73 10.737 2.539 -15.503 599 2HD ARG 73 1HD ARG 73 11.938 1.334 -15.039 600 HE ARG 73 HE ARG 73 11.054 -0.129 -16.804 601 1HH1 ARG 73 2HH1 ARG 73 8.616 0.107 -17.764 602 2HH1 ARG 73 1HH1 ARG 73 8.564 1.408 -18.907 603 1HH2 ARG 73 2HH2 ARG 73 10.207 2.959 -18.930 604 2HH2 ARG 73 1HH2 ARG 73 11.519 2.848 -17.805 605 H GLN 74 H GLN 74 11.978 -2.665 -12.590 606 HA GLN 74 HA GLN 74 10.786 -5.168 -13.631 607 1HB GLN 74 2HB GLN 74 13.205 -4.304 -14.221 608 2HB GLN 74 1HB GLN 74 13.621 -4.897 -12.617 609 1HG GLN 74 2HG GLN 74 14.059 -6.719 -14.081 610 2HG GLN 74 1HG GLN 74 12.523 -7.106 -13.303 611 1HE2 GLN 74 1HE2 GLN 74 12.004 -8.456 -15.241 612 2HE2 GLN 74 2HE2 GLN 74 11.461 -7.706 -16.664 613 H ALA 75 H ALA 75 11.000 -3.454 -10.868 614 HA ALA 75 HA ALA 75 11.320 -5.736 -9.011 615 1HB ALA 75 1HB ALA 75 10.676 -3.216 -7.747 616 2HB ALA 75 2HB ALA 75 11.955 -2.953 -8.933 617 3HB ALA 75 3HB ALA 75 12.179 -4.135 -7.642 618 H PHE 76 H PHE 76 9.179 -2.974 -9.516 619 HA PHE 76 HA PHE 76 6.931 -4.431 -8.278 620 1HB PHE 76 2HB PHE 76 6.200 -2.361 -7.643 621 2HB PHE 76 1HB PHE 76 7.847 -1.886 -7.974 622 HD1 PHE 76 HD1 PHE 76 4.778 -0.654 -8.276 623 HD2 PHE 76 HD2 PHE 76 8.004 -1.781 -10.864 624 HE1 PHE 76 HE1 PHE 76 3.949 0.929 -9.970 625 HE2 PHE 76 HE2 PHE 76 7.177 -0.198 -12.571 626 HZ PHE 76 HZ PHE 76 5.149 1.155 -12.148 627 H ARG 77 H ARG 77 7.919 -5.140 -10.983 628 HA ARG 77 HA ARG 77 5.333 -4.935 -12.360 629 1HB ARG 77 2HB ARG 77 7.415 -3.068 -12.870 630 2HB ARG 77 1HB ARG 77 7.314 -4.116 -14.271 631 1HG ARG 77 2HG ARG 77 4.738 -3.744 -14.088 632 2HG ARG 77 1HG ARG 77 5.176 -2.356 -13.091 633 1HD ARG 77 2HD ARG 77 6.130 -1.214 -14.850 634 2HD ARG 77 1HD ARG 77 6.621 -2.692 -15.679 635 HE ARG 77 HE ARG 77 3.733 -2.377 -15.621 636 1HH1 ARG 77 2HH1 ARG 77 4.727 -3.600 -17.976 637 2HH1 ARG 77 1HH1 ARG 77 4.841 -2.323 -19.140 638 1HH2 ARG 77 2HH2 ARG 77 4.838 -0.167 -18.457 639 2HH2 ARG 77 1HH2 ARG 77 4.719 0.206 -16.771 640 H GLU 78 H GLU 78 8.728 -5.959 -12.491 641 HA GLU 78 HA GLU 78 8.587 -7.746 -14.650 642 1HB GLU 78 2HB GLU 78 10.597 -8.619 -13.873 643 2HB GLU 78 1HB GLU 78 10.565 -7.069 -13.041 644 1HG GLU 78 2HG GLU 78 11.054 -8.501 -11.273 645 2HG GLU 78 1HG GLU 78 9.293 -8.454 -11.176 646 H LEU 79 H LEU 79 7.008 -7.950 -11.585 647 HA LEU 79 HA LEU 79 6.472 -10.847 -11.992 648 1HB LEU 79 2HB LEU 79 5.983 -9.037 -9.616 649 2HB LEU 79 1HB LEU 79 5.540 -10.742 -9.676 650 HG LEU 79 HG LEU 79 8.178 -10.752 -10.525 651 1HD1 LEU 79 1HD1 LEU 79 9.431 -9.212 -9.376 652 2HD1 LEU 79 2HD1 LEU 79 8.296 -9.138 -8.028 653 3HD1 LEU 79 3HD1 LEU 79 7.951 -8.264 -9.520 654 1HD2 LEU 79 1HD2 LEU 79 7.570 -12.446 -9.059 655 2HD2 LEU 79 2HD2 LEU 79 6.741 -11.342 -7.963 656 3HD2 LEU 79 3HD2 LEU 79 8.503 -11.417 -7.973 657 H ASP 80 H ASP 80 4.470 -8.066 -10.826 658 HA ASP 80 HA ASP 80 2.550 -8.147 -12.888 659 1HB ASP 80 2HB ASP 80 0.749 -9.498 -11.676 660 2HB ASP 80 1HB ASP 80 2.044 -10.425 -12.440 661 H LEU 81 H LEU 81 2.577 -8.207 -9.320 662 HA LEU 81 HA LEU 81 2.015 -6.468 -7.849 663 1HB LEU 81 2HB LEU 81 0.627 -5.034 -10.109 664 2HB LEU 81 1HB LEU 81 1.215 -4.388 -8.589 665 HG LEU 81 HG LEU 81 2.734 -5.003 -11.085 666 1HD1 LEU 81 1HD1 LEU 81 2.059 -2.748 -9.530 667 2HD1 LEU 81 2HD1 LEU 81 3.111 -2.797 -10.944 668 3HD1 LEU 81 3HD1 LEU 81 3.795 -2.978 -9.329 669 1HD2 LEU 81 1HD2 LEU 81 3.610 -5.799 -8.398 670 2HD2 LEU 81 2HD2 LEU 81 4.705 -4.668 -9.167 671 3HD2 LEU 81 3HD2 LEU 81 4.314 -6.184 -9.961 672 H ASP 82 H ASP 82 0.678 -8.675 -7.705 673 HA ASP 82 HA ASP 82 -1.997 -7.878 -7.064 674 1HB ASP 82 2HB ASP 82 -3.262 -9.134 -8.681 675 2HB ASP 82 1HB ASP 82 -2.149 -8.091 -9.568 676 H VAL 83 H VAL 83 0.319 -10.459 -7.528 677 HA VAL 83 HA VAL 83 -0.762 -11.754 -5.113 678 HB VAL 83 HB VAL 83 -0.691 -13.092 -7.821 679 1HG1 VAL 83 1HG1 VAL 83 -0.623 -14.271 -5.049 680 2HG1 VAL 83 2HG1 VAL 83 0.308 -14.739 -6.473 681 3HG1 VAL 83 3HG1 VAL 83 -1.407 -15.135 -6.370 682 1HG2 VAL 83 1HG2 VAL 83 -2.855 -12.365 -7.622 683 2HG2 VAL 83 2HG2 VAL 83 -2.751 -12.219 -5.867 684 3HG2 VAL 83 3HG2 VAL 83 -3.016 -13.799 -6.607 685 H ASP 84 H ASP 84 1.638 -12.075 -7.735 686 HA ASP 84 HA ASP 84 3.474 -13.695 -6.291 687 1HB ASP 84 2HB ASP 84 3.796 -11.731 -8.546 688 2HB ASP 84 1HB ASP 84 5.200 -12.516 -7.829 689 H ILE 85 H ILE 85 3.063 -10.181 -6.376 690 HA ILE 85 HA ILE 85 5.397 -9.721 -4.673 691 HB ILE 85 HB ILE 85 3.454 -7.554 -4.605 692 1HG1 ILE 85 2HG1 ILE 85 2.676 -8.461 -6.751 693 2HG1 ILE 85 1HG1 ILE 85 3.588 -6.979 -7.013 694 1HG2 ILE 85 1HG2 ILE 85 5.665 -6.972 -4.165 695 2HG2 ILE 85 2HG2 ILE 85 5.501 -6.486 -5.852 696 3HG2 ILE 85 3HG2 ILE 85 6.299 -8.005 -5.445 697 1HD1 ILE 85 1HD1 ILE 85 4.296 -9.776 -7.730 698 2HD1 ILE 85 2HD1 ILE 85 5.613 -8.738 -7.184 699 3HD1 ILE 85 3HD1 ILE 85 4.644 -8.272 -8.582 700 H SER 86 H SER 86 2.162 -10.672 -4.214 701 HA SER 86 HA SER 86 1.685 -9.547 -1.609 702 1HB SER 86 2HB SER 86 0.097 -10.819 -3.340 703 2HB SER 86 1HB SER 86 0.537 -12.210 -2.353 704 HG SER 86 HG SER 86 -0.182 -9.844 -1.056 705 H THR 87 H THR 87 1.009 -12.307 -0.453 706 HA THR 87 HA THR 87 3.752 -12.853 0.594 707 HB THR 87 HB THR 87 1.011 -13.637 1.654 708 HG1 THR 87 HG1 THR 87 2.041 -11.384 1.794 709 1HG2 THR 87 1HG2 THR 87 2.515 -14.197 3.710 710 2HG2 THR 87 2HG2 THR 87 3.817 -14.285 2.523 711 3HG2 THR 87 3HG2 THR 87 2.424 -15.358 2.386 712 H LEU 88 H LEU 88 1.051 -14.106 -1.118 713 HA LEU 88 HA LEU 88 1.598 -16.890 -1.094 714 1HB LEU 88 2HB LEU 88 0.078 -14.950 -2.761 715 2HB LEU 88 1HB LEU 88 0.420 -16.508 -3.482 716 HG LEU 88 HG LEU 88 -0.985 -17.633 -2.049 717 1HD1 LEU 88 1HD1 LEU 88 0.122 -17.334 0.026 718 2HD1 LEU 88 2HD1 LEU 88 -1.483 -16.661 0.305 719 3HD1 LEU 88 3HD1 LEU 88 -0.119 -15.587 0.000 720 1HD2 LEU 88 1HD2 LEU 88 -2.242 -15.697 -3.108 721 2HD2 LEU 88 2HD2 LEU 88 -2.061 -14.842 -1.576 722 3HD2 LEU 88 3HD2 LEU 88 -2.976 -16.348 -1.642 723 H LEU 89 H LEU 89 3.580 -17.704 -1.717 724 HA LEU 89 HA LEU 89 4.488 -17.653 -4.376 725 1HB LEU 89 2HB LEU 89 6.503 -16.138 -4.098 726 2HB LEU 89 1HB LEU 89 4.952 -15.302 -4.174 727 HG LEU 89 HG LEU 89 5.463 -16.015 -1.446 728 1HD1 LEU 89 1HD1 LEU 89 7.780 -14.888 -2.985 729 2HD1 LEU 89 2HD1 LEU 89 7.781 -16.049 -1.657 730 3HD1 LEU 89 3HD1 LEU 89 7.502 -14.339 -1.331 731 1HD2 LEU 89 1HD2 LEU 89 4.109 -14.102 -2.508 732 2HD2 LEU 89 2HD2 LEU 89 5.651 -13.266 -2.694 733 3HD2 LEU 89 3HD2 LEU 89 5.069 -13.695 -1.086 734 H ARG 90 H ARG 90 6.784 -18.479 -4.535 735 HA ARG 90 HA ARG 90 8.431 -20.015 -3.893 736 1HB ARG 90 2HB ARG 90 9.070 -18.390 -2.214 737 2HB ARG 90 1HB ARG 90 7.742 -18.888 -1.166 738 1HG ARG 90 2HG ARG 90 9.020 -20.508 -0.274 739 2HG ARG 90 1HG ARG 90 9.278 -21.207 -1.873 740 1HD ARG 90 2HD ARG 90 11.245 -19.985 -2.232 741 2HD ARG 90 1HD ARG 90 10.824 -18.768 -1.027 742 HE ARG 90 HE ARG 90 11.822 -21.510 -0.402 743 1HH1 ARG 90 2HH1 ARG 90 13.729 -20.766 0.935 744 2HH1 ARG 90 1HH1 ARG 90 13.305 -19.753 2.275 745 1HH2 ARG 90 2HH2 ARG 90 11.248 -18.821 2.380 746 2HH2 ARG 90 1HH2 ARG 90 10.097 -19.119 1.121 747 H ASN 91 HN ASN 91 7.001 -20.613 -0.782 748 HA ASN 91 HA ASN 91 6.204 -23.306 -1.737 749 1HB ASN 91 2HB ASN 91 6.038 -23.843 0.679 750 2HB ASN 91 1HB ASN 91 7.621 -23.181 0.270 751 1HD2 ASN 91 1HD2 ASN 91 8.294 -21.393 1.481 752 2HD2 ASN 91 2HD2 ASN 91 7.275 -20.448 2.455 Start of MODEL 14 1 1H GLY 1 1H GLY 1 -15.678 24.159 -4.640 2 2H GLY 1 2H GLY 1 -14.864 24.282 -6.126 3 3H GLY 1 3H GLY 1 -13.983 24.248 -4.673 4 1HA GLY 1 1HA GLY 1 -15.520 21.990 -5.712 5 2HA GLY 1 2HA GLY 1 -13.734 22.099 -5.769 6 H SER 2 H SER 2 -15.300 19.893 -5.220 7 HA SER 2 HA SER 2 -15.999 19.961 -2.313 8 1HB SER 2 2HB SER 2 -17.553 19.053 -4.623 9 2HB SER 2 1HB SER 2 -17.412 17.825 -3.368 10 HG SER 2 HG SER 2 -18.656 18.985 -2.135 11 H ARG 3 H ARG 3 -16.106 17.463 -1.578 12 HA ARG 3 HA ARG 3 -13.400 16.427 -2.091 13 1HB ARG 3 2HB ARG 3 -15.626 15.524 -0.238 14 2HB ARG 3 1HB ARG 3 -14.051 14.736 -0.339 15 1HG ARG 3 2HG ARG 3 -12.965 16.463 0.711 16 2HG ARG 3 1HG ARG 3 -14.035 17.687 0.028 17 1HD ARG 3 2HD ARG 3 -15.800 17.095 1.583 18 2HD ARG 3 1HD ARG 3 -14.860 15.734 2.192 19 HE ARG 3 HE ARG 3 -13.904 17.292 3.662 20 1HH1 ARG 3 2HH1 ARG 3 -11.934 18.731 2.908 21 2HH1 ARG 3 1HH1 ARG 3 -12.460 20.275 2.328 22 1HH2 ARG 3 2HH2 ARG 3 -14.628 20.596 1.776 23 2HH2 ARG 3 1HH2 ARG 3 -15.763 19.296 1.930 24 H ILE 4 H ILE 4 -14.194 16.077 -4.422 25 HA ILE 4 HA ILE 4 -15.759 13.568 -4.703 26 HB ILE 4 HB ILE 4 -15.573 14.208 -7.192 27 1HG1 ILE 4 2HG1 ILE 4 -13.717 15.958 -6.446 28 2HG1 ILE 4 1HG1 ILE 4 -14.796 16.311 -7.792 29 1HG2 ILE 4 1HG2 ILE 4 -17.623 14.446 -5.824 30 2HG2 ILE 4 2HG2 ILE 4 -17.466 15.767 -6.982 31 3HG2 ILE 4 3HG2 ILE 4 -17.069 16.031 -5.284 32 1HD1 ILE 4 1HD1 ILE 4 -15.685 17.094 -5.043 33 2HD1 ILE 4 2HD1 ILE 4 -16.010 17.873 -6.591 34 3HD1 ILE 4 3HD1 ILE 4 -14.435 18.067 -5.820 35 H ALA 5 H ALA 5 -12.623 14.392 -4.312 36 HA ALA 5 HA ALA 5 -11.528 12.533 -6.336 37 1HB ALA 5 1HB ALA 5 -9.688 13.821 -6.179 38 2HB ALA 5 2HB ALA 5 -9.566 13.493 -4.451 39 3HB ALA 5 3HB ALA 5 -10.547 14.841 -5.024 40 H LYS 6 H LYS 6 -10.733 10.508 -5.825 41 HA LYS 6 HA LYS 6 -11.225 9.579 -3.040 42 1HB LYS 6 2HB LYS 6 -12.115 8.427 -5.242 43 2HB LYS 6 1HB LYS 6 -10.492 7.738 -5.294 44 1HG LYS 6 2HG LYS 6 -10.979 7.210 -2.747 45 2HG LYS 6 1HG LYS 6 -12.661 7.329 -3.266 46 1HD LYS 6 2HD LYS 6 -10.959 5.751 -5.079 47 2HD LYS 6 1HD LYS 6 -11.129 5.058 -3.465 48 1HE LYS 6 2HE LYS 6 -12.908 4.340 -5.126 49 2HE LYS 6 1HE LYS 6 -13.526 5.045 -3.631 50 1HZ LYS 6 1HZ LYS 6 -13.005 6.772 -5.956 51 2HZ LYS 6 2HZ LYS 6 -14.101 6.992 -4.676 52 3HZ LYS 6 3HZ LYS 6 -14.432 5.857 -5.897 53 H ARG 7 H ARG 7 -8.697 10.524 -5.099 54 HA ARG 7 HA ARG 7 -6.664 8.755 -3.950 55 1HB ARG 7 2HB ARG 7 -6.826 10.758 -6.084 56 2HB ARG 7 1HB ARG 7 -5.323 10.844 -5.166 57 1HG ARG 7 2HG ARG 7 -5.078 9.277 -7.043 58 2HG ARG 7 1HG ARG 7 -4.990 8.411 -5.509 59 1HD ARG 7 2HD ARG 7 -7.224 7.599 -5.724 60 2HD ARG 7 1HD ARG 7 -7.577 8.712 -7.047 61 HE ARG 7 HE ARG 7 -5.395 7.002 -7.787 62 1HH1 ARG 7 2HH1 ARG 7 -8.288 7.772 -8.939 63 2HH1 ARG 7 1HH1 ARG 7 -8.851 6.172 -9.289 64 1HH2 ARG 7 1HH2 ARG 7 -6.330 4.607 -7.497 65 2HH2 ARG 7 2HH2 ARG 7 -7.742 4.380 -8.473 66 H THR 8 H THR 8 -8.104 11.808 -3.221 67 HA THR 8 HA THR 8 -7.776 13.277 -1.430 68 HB THR 8 HB THR 8 -6.049 10.990 -0.440 69 HG1 THR 8 HG1 THR 8 -8.088 11.116 1.019 70 1HG2 THR 8 1HG2 THR 8 -7.028 13.494 0.958 71 2HG2 THR 8 2HG2 THR 8 -5.349 13.057 0.633 72 3HG2 THR 8 3HG2 THR 8 -6.301 12.111 1.777 73 H ALA 9 H ALA 9 -4.548 11.979 -0.973 74 HA ALA 9 HA ALA 9 -3.380 14.598 -1.414 75 1HB ALA 9 1HB ALA 9 -1.563 12.275 -1.443 76 2HB ALA 9 2HB ALA 9 -2.603 12.375 -0.023 77 3HB ALA 9 3HB ALA 9 -1.532 13.717 -0.427 78 H ILE 10 H ILE 10 -1.258 14.583 -2.886 79 HA ILE 10 HA ILE 10 -2.155 13.600 -5.554 80 HB ILE 10 HB ILE 10 -0.159 15.806 -5.003 81 1HG1 ILE 10 2HG1 ILE 10 -2.875 16.478 -5.966 82 2HG1 ILE 10 1HG1 ILE 10 -2.791 15.928 -4.291 83 1HG2 ILE 10 1HG2 ILE 10 -1.629 14.773 -7.426 84 2HG2 ILE 10 2HG2 ILE 10 0.101 15.050 -7.228 85 3HG2 ILE 10 3HG2 ILE 10 -0.999 16.420 -7.375 86 1HD1 ILE 10 1HD1 ILE 10 -2.094 18.492 -5.330 87 2HD1 ILE 10 2HD1 ILE 10 -0.614 17.728 -4.750 88 3HD1 ILE 10 3HD1 ILE 10 -1.987 17.930 -3.662 89 H ASN 11 H ASN 11 -0.995 11.616 -4.192 90 HA ASN 11 HA ASN 11 1.815 11.382 -4.129 91 1HB ASN 11 2HB ASN 11 -0.067 9.676 -3.462 92 2HB ASN 11 1HB ASN 11 0.079 9.127 -5.129 93 1HD2 ASN 11 1HD2 ASN 11 1.392 7.307 -5.172 94 2HD2 ASN 11 2HD2 ASN 11 2.826 7.117 -4.283 95 H LYS 12 H LYS 12 2.870 9.651 -5.895 96 HA LYS 12 HA LYS 12 3.391 11.046 -8.246 97 1HB LYS 12 2HB LYS 12 3.775 8.716 -9.292 98 2HB LYS 12 1HB LYS 12 4.721 9.126 -7.862 99 1HG LYS 12 2HG LYS 12 2.470 8.040 -6.731 100 2HG LYS 12 1HG LYS 12 2.619 7.085 -8.204 101 1HD LYS 12 2HD LYS 12 5.221 7.441 -7.010 102 2HD LYS 12 1HD LYS 12 4.101 6.783 -5.815 103 1HE LYS 12 2HE LYS 12 4.312 5.653 -8.611 104 2HE LYS 12 1HE LYS 12 5.322 5.074 -7.286 105 1HZ LYS 12 1HZ LYS 12 2.365 5.204 -7.133 106 2HZ LYS 12 2HZ LYS 12 3.428 4.412 -6.069 107 3HZ LYS 12 3HZ LYS 12 3.207 3.822 -7.646 108 H THR 13 H THR 13 1.514 12.013 -9.128 109 HA THR 13 HA THR 13 -1.015 11.029 -9.523 110 HB THR 13 HB THR 13 -0.634 13.240 -10.249 111 HG1 THR 13 HG1 THR 13 -2.055 12.060 -11.615 112 1HG2 THR 13 1HG2 THR 13 1.798 12.101 -11.295 113 2HG2 THR 13 2HG2 THR 13 1.405 13.797 -11.011 114 3HG2 THR 13 3HG2 THR 13 0.996 13.044 -12.552 115 H LYS 14 H LYS 14 -2.112 9.953 -11.286 116 HA LYS 14 HA LYS 14 -1.107 7.498 -12.087 117 1HB LYS 14 2HB LYS 14 -3.155 9.343 -13.259 118 2HB LYS 14 1HB LYS 14 -2.682 7.912 -14.175 119 1HG LYS 14 2HG LYS 14 -3.199 6.491 -12.221 120 2HG LYS 14 1HG LYS 14 -3.698 7.923 -11.319 121 1HD LYS 14 2HD LYS 14 -5.754 7.248 -12.127 122 2HD LYS 14 1HD LYS 14 -5.244 8.288 -13.457 123 1HE LYS 14 2HE LYS 14 -5.804 6.386 -14.648 124 2HE LYS 14 1HE LYS 14 -4.107 6.039 -14.313 125 1HZ LYS 14 1HZ LYS 14 -5.469 4.148 -13.755 126 2HZ LYS 14 2HZ LYS 14 -6.435 5.096 -12.730 127 3HZ LYS 14 3HZ LYS 14 -4.808 4.806 -12.339 128 H LYS 15 H LYS 15 -0.765 10.623 -13.735 129 HA LYS 15 HA LYS 15 0.594 9.636 -16.055 130 1HB LYS 15 2HB LYS 15 -0.388 11.994 -15.621 131 2HB LYS 15 1HB LYS 15 1.135 12.329 -14.796 132 1HG LYS 15 2HG LYS 15 2.401 11.841 -16.800 133 2HG LYS 15 1HG LYS 15 0.950 11.282 -17.632 134 1HD LYS 15 2HD LYS 15 0.782 14.014 -16.507 135 2HD LYS 15 1HD LYS 15 1.921 13.818 -17.839 136 1HE LYS 15 2HE LYS 15 -0.159 14.347 -18.872 137 2HE LYS 15 1HE LYS 15 0.029 12.605 -19.076 138 1HZ LYS 15 1HZ LYS 15 -1.499 12.162 -17.408 139 2HZ LYS 15 2HZ LYS 15 -2.194 13.485 -18.217 140 3HZ LYS 15 3HZ LYS 15 -1.388 13.717 -16.739 141 H ALA 16 H ALA 16 1.764 10.825 -12.912 142 HA ALA 16 HA ALA 16 4.526 10.074 -13.628 143 1HB ALA 16 1HB ALA 16 3.630 12.130 -12.144 144 2HB ALA 16 2HB ALA 16 5.207 11.393 -11.866 145 3HB ALA 16 3HB ALA 16 3.831 10.936 -10.861 146 H ASP 17 H ASP 17 2.117 8.225 -13.068 147 HA ASP 17 HA ASP 17 2.792 6.720 -10.677 148 1HB ASP 17 2HB ASP 17 0.592 6.854 -12.191 149 2HB ASP 17 1HB ASP 17 1.340 5.451 -12.951 150 H VAL 18 H VAL 18 3.503 6.362 -14.148 151 HA VAL 18 HA VAL 18 5.068 3.921 -13.582 152 HB VAL 18 HB VAL 18 5.304 5.020 -16.288 153 1HG1 VAL 18 1HG1 VAL 18 5.494 2.577 -15.074 154 2HG1 VAL 18 2HG1 VAL 18 5.284 2.808 -16.810 155 3HG1 VAL 18 3HG1 VAL 18 3.884 2.481 -15.789 156 1HG2 VAL 18 1HG2 VAL 18 3.098 5.922 -15.945 157 2HG2 VAL 18 2HG2 VAL 18 2.564 4.458 -15.118 158 3HG2 VAL 18 3HG2 VAL 18 2.896 4.422 -16.851 159 H LYS 19 H LYS 19 5.575 7.332 -14.270 160 HA LYS 19 HA LYS 19 8.453 6.950 -14.711 161 1HB LYS 19 2HB LYS 19 8.580 9.317 -14.995 162 2HB LYS 19 1HB LYS 19 7.065 8.824 -15.750 163 1HG LYS 19 2HG LYS 19 6.100 10.409 -14.465 164 2HG LYS 19 1HG LYS 19 6.318 9.280 -13.127 165 1HD LYS 19 2HD LYS 19 7.692 10.768 -12.150 166 2HD LYS 19 1HD LYS 19 8.809 10.577 -13.502 167 1HE LYS 19 2HE LYS 19 8.335 12.654 -14.218 168 2HE LYS 19 1HE LYS 19 6.625 12.241 -14.338 169 1HZ LYS 19 1HZ LYS 19 6.370 13.708 -12.695 170 2HZ LYS 19 2HZ LYS 19 8.020 13.708 -12.293 171 3HZ LYS 19 3HZ LYS 19 6.993 12.503 -11.677 172 H ALA 20 H ALA 20 6.319 7.440 -12.041 173 HA ALA 20 HA ALA 20 8.366 8.444 -10.193 174 1HB ALA 20 1HB ALA 20 5.577 7.319 -9.819 175 2HB ALA 20 2HB ALA 20 6.096 8.995 -9.641 176 3HB ALA 20 3HB ALA 20 6.604 7.785 -8.463 177 H ILE 21 H ILE 21 7.525 5.425 -11.557 178 HA ILE 21 HA ILE 21 8.608 3.866 -9.303 179 HB ILE 21 HB ILE 21 7.574 3.084 -12.038 180 1HG1 ILE 21 2HG1 ILE 21 5.589 3.388 -10.978 181 2HG1 ILE 21 1HG1 ILE 21 5.975 1.898 -10.144 182 1HG2 ILE 21 1HG2 ILE 21 8.439 1.040 -11.738 183 2HG2 ILE 21 2HG2 ILE 21 7.710 0.924 -10.139 184 3HG2 ILE 21 3HG2 ILE 21 9.303 1.652 -10.329 185 1HD1 ILE 21 1HD1 ILE 21 7.070 3.237 -8.336 186 2HD1 ILE 21 2HD1 ILE 21 5.347 3.571 -8.498 187 3HD1 ILE 21 3HD1 ILE 21 6.529 4.704 -9.151 188 H ALA 22 H ALA 22 9.655 5.159 -12.382 189 HA ALA 22 HA ALA 22 12.110 3.494 -12.302 190 1HB ALA 22 1HB ALA 22 12.601 4.436 -14.491 191 2HB ALA 22 2HB ALA 22 11.306 5.620 -14.313 192 3HB ALA 22 3HB ALA 22 10.919 3.907 -14.474 193 H ASP 23 H ASP 23 11.016 6.769 -11.736 194 HA ASP 23 HA ASP 23 13.790 7.729 -11.366 195 1HB ASP 23 2HB ASP 23 11.984 9.087 -12.560 196 2HB ASP 23 1HB ASP 23 11.240 9.310 -10.976 197 H ALA 24 H ALA 24 11.165 6.516 -9.468 198 HA ALA 24 HA ALA 24 12.216 7.826 -7.030 199 1HB ALA 24 1HB ALA 24 10.291 6.971 -5.892 200 2HB ALA 24 2HB ALA 24 9.940 5.845 -7.200 201 3HB ALA 24 3HB ALA 24 9.730 7.578 -7.448 202 H TRP 25 H TRP 25 12.209 6.175 -5.074 203 HA TRP 25 HA TRP 25 13.304 4.437 -4.003 204 1HB TRP 25 2HB TRP 25 13.737 2.729 -6.352 205 2HB TRP 25 1HB TRP 25 13.088 2.325 -4.783 206 HD1 TRP 25 HD1 TRP 25 10.706 4.848 -5.814 207 HE1 TRP 25 HE1 TRP 25 8.760 3.865 -7.116 208 HE3 TRP 25 HE3 TRP 25 12.551 0.191 -6.869 209 HZ2 TRP 25 HZ2 TRP 25 8.052 1.448 -8.414 210 HZ3 TRP 25 HZ3 TRP 25 11.171 -1.419 -8.126 211 HH2 TRP 25 HH2 TRP 25 8.927 -0.785 -8.905 212 H GLN 26 H GLN 26 15.312 2.706 -5.506 213 HA GLN 26 HA GLN 26 17.458 4.739 -5.477 214 1HB GLN 26 2HB GLN 26 17.511 2.428 -4.282 215 2HB GLN 26 1HB GLN 26 17.858 1.784 -5.885 216 1HG GLN 26 2HG GLN 26 20.021 2.215 -5.254 217 2HG GLN 26 1HG GLN 26 19.620 3.825 -5.855 218 1HE2 GLN 26 1HE2 GLN 26 18.962 5.469 -4.209 219 2HE2 GLN 26 2HE2 GLN 26 19.468 5.292 -2.599 220 H ILE 27 H ILE 27 16.546 5.598 -7.648 221 HA ILE 27 HA ILE 27 17.454 3.869 -9.908 222 HB ILE 27 HB ILE 27 15.500 4.526 -10.846 223 1HG1 ILE 27 2HG1 ILE 27 17.209 6.138 -11.905 224 2HG1 ILE 27 1HG1 ILE 27 15.505 6.546 -12.086 225 1HG2 ILE 27 1HG2 ILE 27 15.106 6.976 -9.181 226 2HG2 ILE 27 2HG2 ILE 27 14.965 5.397 -8.428 227 3HG2 ILE 27 3HG2 ILE 27 13.932 5.813 -9.780 228 1HD1 ILE 27 1HD1 ILE 27 15.631 8.325 -10.609 229 2HD1 ILE 27 2HD1 ILE 27 17.260 8.366 -11.277 230 3HD1 ILE 27 3HD1 ILE 27 16.970 7.619 -9.706 231 H ASN 28 H ASN 28 18.234 6.654 -8.072 232 HA ASN 28 HA ASN 28 20.688 7.023 -9.642 233 1HB ASN 28 2HB ASN 28 19.015 8.500 -10.789 234 2HB ASN 28 1HB ASN 28 18.786 9.356 -9.263 235 1HD2 ASN 28 1HD2 ASN 28 20.110 11.150 -9.021 236 2HD2 ASN 28 2HD2 ASN 28 21.618 11.359 -9.760 237 H GLY 29 H GLY 29 18.617 8.420 -7.095 238 1HA GLY 29 2HA GLY 29 19.531 8.254 -4.754 239 2HA GLY 29 1HA GLY 29 21.089 8.708 -5.449 240 H GLU 30 H GLU 30 19.914 10.644 -7.289 241 HA GLU 30 HA GLU 30 19.268 12.771 -5.309 242 1HB GLU 30 2HB GLU 30 21.466 12.863 -6.687 243 2HB GLU 30 1HB GLU 30 20.419 13.305 -8.036 244 1HG GLU 30 2HG GLU 30 20.287 15.417 -7.277 245 2HG GLU 30 1HG GLU 30 19.658 14.841 -5.732 246 H LYS 31 H LYS 31 18.380 11.284 -8.350 247 HA LYS 31 HA LYS 31 16.295 13.300 -8.875 248 1HB LYS 31 2HB LYS 31 17.349 10.875 -10.290 249 2HB LYS 31 1HB LYS 31 15.736 11.461 -10.696 250 1HG LYS 31 2HG LYS 31 17.097 12.648 -12.193 251 2HG LYS 31 1HG LYS 31 16.895 13.795 -10.868 252 1HD LYS 31 2HD LYS 31 19.062 12.530 -9.947 253 2HD LYS 31 1HD LYS 31 19.305 12.223 -11.667 254 1HE LYS 31 2HE LYS 31 18.759 14.972 -10.515 255 2HE LYS 31 1HE LYS 31 20.379 14.354 -10.841 256 1HZ LYS 31 1HZ LYS 31 20.048 15.214 -12.863 257 2HZ LYS 31 2HZ LYS 31 18.363 15.303 -12.673 258 3HZ LYS 31 3HZ LYS 31 19.091 13.843 -13.147 259 H GLU 32 H GLU 32 16.627 10.202 -7.328 260 HA GLU 32 HA GLU 32 13.698 9.767 -7.329 261 1HB GLU 32 2HB GLU 32 14.238 7.693 -6.098 262 2HB GLU 32 1HB GLU 32 15.191 7.803 -7.572 263 1HG GLU 32 2HG GLU 32 16.877 7.279 -6.087 264 2HG GLU 32 1HG GLU 32 16.901 9.035 -5.921 265 H LEU 33 H LEU 33 16.217 11.043 -5.272 266 HA LEU 33 HA LEU 33 14.766 10.835 -2.796 267 1HB LEU 33 2HB LEU 33 16.458 12.158 -1.851 268 2HB LEU 33 1HB LEU 33 17.291 11.396 -3.203 269 HG LEU 33 HG LEU 33 16.517 13.510 -4.541 270 1HD1 LEU 33 1HD1 LEU 33 15.233 14.879 -3.265 271 2HD1 LEU 33 2HD1 LEU 33 16.759 15.383 -2.538 272 3HD1 LEU 33 3HD1 LEU 33 15.779 14.138 -1.761 273 1HD2 LEU 33 1HD2 LEU 33 18.647 14.350 -4.239 274 2HD2 LEU 33 2HD2 LEU 33 18.862 12.776 -3.474 275 3HD2 LEU 33 3HD2 LEU 33 18.567 14.206 -2.483 276 H GLU 34 H GLU 34 14.767 13.162 -5.425 277 HA GLU 34 HA GLU 34 13.286 15.193 -4.058 278 1HB GLU 34 2HB GLU 34 14.653 15.335 -6.254 279 2HB GLU 34 1HB GLU 34 13.187 14.730 -7.033 280 1HG GLU 34 2HG GLU 34 11.905 16.584 -6.295 281 2HG GLU 34 1HG GLU 34 13.141 17.049 -5.127 282 H LEU 35 H LEU 35 12.180 12.907 -6.619 283 HA LEU 35 HA LEU 35 9.488 13.447 -6.534 284 1HB LEU 35 2HB LEU 35 10.636 11.687 -7.978 285 2HB LEU 35 1HB LEU 35 10.546 10.609 -6.589 286 HG LEU 35 HG LEU 35 8.614 10.625 -8.424 287 1HD1 LEU 35 1HD1 LEU 35 8.677 9.236 -6.354 288 2HD1 LEU 35 2HD1 LEU 35 7.054 9.819 -6.719 289 3HD1 LEU 35 3HD1 LEU 35 8.005 10.593 -5.453 290 1HD2 LEU 35 1HD2 LEU 35 7.764 12.793 -6.483 291 2HD2 LEU 35 2HD2 LEU 35 6.746 12.077 -7.731 292 3HD2 LEU 35 3HD2 LEU 35 8.151 13.045 -8.183 293 H LEU 36 H LEU 36 11.051 10.947 -4.527 294 HA LEU 36 HA LEU 36 8.753 10.538 -2.899 295 1HB LEU 36 2HB LEU 36 10.979 9.132 -3.215 296 2HB LEU 36 1HB LEU 36 11.512 10.084 -1.824 297 HG LEU 36 HG LEU 36 10.407 7.956 -1.144 298 1HD1 LEU 36 1HD1 LEU 36 9.343 8.979 0.646 299 2HD1 LEU 36 2HD1 LEU 36 8.514 10.139 -0.384 300 3HD1 LEU 36 3HD1 LEU 36 10.213 10.369 -0.001 301 1HD2 LEU 36 1HD2 LEU 36 8.211 7.462 -1.766 302 2HD2 LEU 36 2HD2 LEU 36 8.795 8.265 -3.224 303 3HD2 LEU 36 3HD2 LEU 36 7.812 9.152 -2.063 304 H GLN 37 H GLN 37 11.366 12.861 -2.777 305 HA GLN 37 HA GLN 37 11.036 13.657 -0.056 306 1HB GLN 37 2HB GLN 37 12.972 14.477 -1.167 307 2HB GLN 37 1HB GLN 37 12.036 15.069 -2.537 308 1HG GLN 37 2HG GLN 37 10.922 16.688 -0.904 309 2HG GLN 37 1HG GLN 37 12.171 16.227 0.253 310 1HE2 GLN 37 1HE2 GLN 37 13.902 15.864 -2.433 311 2HE2 GLN 37 2HE2 GLN 37 14.459 17.439 -2.702 312 H GLN 38 H GLN 38 9.031 13.958 -2.788 313 HA GLN 38 HA GLN 38 7.211 15.730 -1.242 314 1HB GLN 38 2HB GLN 38 7.790 15.964 -4.213 315 2HB GLN 38 1HB GLN 38 6.614 16.922 -3.315 316 1HG GLN 38 2HG GLN 38 8.863 17.309 -1.810 317 2HG GLN 38 1HG GLN 38 9.554 17.172 -3.428 318 1HE2 GLN 38 1HE2 GLN 38 9.925 19.644 -2.670 319 2HE2 GLN 38 2HE2 GLN 38 8.734 20.727 -3.211 320 H ILE 39 H ILE 39 7.475 12.727 -2.009 321 HA ILE 39 HA ILE 39 4.742 12.542 -3.144 322 HB ILE 39 HB ILE 39 7.174 10.990 -3.851 323 1HG1 ILE 39 2HG1 ILE 39 6.406 12.846 -5.270 324 2HG1 ILE 39 1HG1 ILE 39 6.158 11.319 -6.111 325 1HG2 ILE 39 1HG2 ILE 39 5.545 9.307 -3.062 326 2HG2 ILE 39 2HG2 ILE 39 5.718 9.233 -4.816 327 3HG2 ILE 39 3HG2 ILE 39 4.309 10.015 -4.100 328 1HD1 ILE 39 1HD1 ILE 39 4.189 13.278 -5.211 329 2HD1 ILE 39 2HD1 ILE 39 3.806 11.639 -4.682 330 3HD1 ILE 39 3HD1 ILE 39 4.023 11.985 -6.399 331 H ALA 40 H ALA 40 7.079 10.611 -1.229 332 HA ALA 40 HA ALA 40 4.939 9.016 -0.064 333 1HB ALA 40 1HB ALA 40 7.459 8.385 -0.191 334 2HB ALA 40 2HB ALA 40 6.580 7.976 1.275 335 3HB ALA 40 3HB ALA 40 7.631 9.391 1.243 336 H GLN 41 H GLN 41 6.011 12.150 0.301 337 HA GLN 41 HA GLN 41 5.194 12.388 3.127 338 1HB GLN 41 2HB GLN 41 5.864 14.678 1.318 339 2HB GLN 41 1HB GLN 41 6.098 14.561 3.062 340 1HG GLN 41 2HG GLN 41 7.635 13.005 0.958 341 2HG GLN 41 1HG GLN 41 8.257 14.366 1.890 342 1HE2 GLN 41 1HE2 GLN 41 8.706 11.200 1.804 343 2HE2 GLN 41 2HE2 GLN 41 8.800 10.822 3.455 344 H LYS 42 H LYS 42 3.953 12.649 -0.026 345 HA LYS 42 HA LYS 42 1.434 13.788 1.105 346 1HB LYS 42 2HB LYS 42 1.192 15.052 -1.114 347 2HB LYS 42 1HB LYS 42 2.362 15.689 0.040 348 1HG LYS 42 2HG LYS 42 3.734 15.660 -1.795 349 2HG LYS 42 1HG LYS 42 3.963 13.981 -1.310 350 1HD LYS 42 2HD LYS 42 3.444 14.090 -3.700 351 2HD LYS 42 1HD LYS 42 2.118 13.311 -2.842 352 1HE LYS 42 2HE LYS 42 0.714 14.852 -3.679 353 2HE LYS 42 1HE LYS 42 1.590 16.096 -2.788 354 1HZ LYS 42 1HZ LYS 42 3.125 16.304 -4.628 355 2HZ LYS 42 2HZ LYS 42 1.535 16.556 -5.167 356 3HZ LYS 42 3HZ LYS 42 2.319 15.082 -5.483 357 HA PRO 43 HA PRO 43 0.945 10.238 -2.034 358 1HB PRO 43 2HB PRO 43 0.721 8.113 -0.311 359 2HB PRO 43 1HB PRO 43 2.240 8.585 -1.093 360 1HG PRO 43 2HG PRO 43 1.347 9.053 1.728 361 2HG PRO 43 1HG PRO 43 2.977 8.791 1.086 362 1HD PRO 43 2HD PRO 43 1.977 11.304 1.791 363 2HD PRO 43 1HD PRO 43 3.302 11.018 0.657 364 H GLY 44 H GLY 44 -1.039 8.805 -2.073 365 1HA GLY 44 2HA GLY 44 -3.133 9.593 -0.120 366 2HA GLY 44 1HA GLY 44 -3.434 9.915 -1.829 367 H ALA 45 H ALA 45 -1.519 7.151 -1.377 368 HA ALA 45 HA ALA 45 -3.254 5.099 -0.692 369 1HB ALA 45 1HB ALA 45 -4.905 5.703 -2.267 370 2HB ALA 45 2HB ALA 45 -4.025 4.396 -3.057 371 3HB ALA 45 3HB ALA 45 -3.707 6.071 -3.510 372 H LEU 46 H LEU 46 -0.397 5.559 -0.807 373 HA LEU 46 HA LEU 46 1.017 4.369 -2.872 374 1HB LEU 46 2HB LEU 46 1.675 5.135 -0.351 375 2HB LEU 46 1HB LEU 46 1.727 3.383 -0.161 376 HG LEU 46 HG LEU 46 3.209 4.970 -2.283 377 1HD1 LEU 46 1HD1 LEU 46 5.210 4.212 -1.017 378 2HD1 LEU 46 2HD1 LEU 46 4.145 3.515 0.203 379 3HD1 LEU 46 3HD1 LEU 46 4.167 5.259 -0.054 380 1HD2 LEU 46 1HD2 LEU 46 3.638 2.067 -1.597 381 2HD2 LEU 46 2HD2 LEU 46 4.075 2.927 -3.072 382 3HD2 LEU 46 3HD2 LEU 46 2.390 2.523 -2.754 383 H ARG 47 H ARG 47 -0.193 2.589 -0.030 384 HA ARG 47 HA ARG 47 0.118 0.010 -0.344 385 1HB ARG 47 2HB ARG 47 -2.129 1.536 0.502 386 2HB ARG 47 1HB ARG 47 -2.732 0.167 -0.432 387 1HG ARG 47 2HG ARG 47 -0.586 -0.260 1.632 388 2HG ARG 47 1HG ARG 47 -2.275 -0.146 2.129 389 1HD ARG 47 2HD ARG 47 -2.873 -1.972 0.601 390 2HD ARG 47 1HD ARG 47 -1.205 -2.066 0.039 391 HE ARG 47 HE ARG 47 -0.572 -2.910 2.254 392 1HH1 ARG 47 2HH1 ARG 47 -1.651 -2.945 4.474 393 2HH1 ARG 47 1HH1 ARG 47 -3.152 -3.810 4.503 394 1HH2 ARG 47 2HH2 ARG 47 -4.197 -4.325 2.571 395 2HH2 ARG 47 1HH2 ARG 47 -3.502 -3.856 1.056 396 H ILE 48 H ILE 48 -2.212 1.630 -2.521 397 HA ILE 48 HA ILE 48 -2.905 -0.520 -4.147 398 HB ILE 48 HB ILE 48 -2.374 2.375 -4.856 399 1HG1 ILE 48 2HG1 ILE 48 -4.963 0.817 -4.599 400 2HG1 ILE 48 1HG1 ILE 48 -4.259 1.768 -3.291 401 1HG2 ILE 48 1HG2 ILE 48 -3.444 0.107 -6.551 402 2HG2 ILE 48 2HG2 ILE 48 -2.119 1.208 -6.928 403 3HG2 ILE 48 3HG2 ILE 48 -3.781 1.799 -6.916 404 1HD1 ILE 48 1HD1 ILE 48 -4.185 3.621 -5.238 405 2HD1 ILE 48 2HD1 ILE 48 -5.590 3.405 -4.193 406 3HD1 ILE 48 3HD1 ILE 48 -5.568 2.682 -5.802 407 H LEU 49 H LEU 49 -0.267 1.756 -5.017 408 HA LEU 49 HA LEU 49 0.908 -0.334 -6.742 409 1HB LEU 49 2HB LEU 49 2.431 2.172 -6.276 410 2HB LEU 49 1HB LEU 49 2.037 1.376 -7.797 411 HG LEU 49 HG LEU 49 -0.444 2.183 -6.991 412 1HD1 LEU 49 1HD1 LEU 49 1.578 3.846 -5.614 413 2HD1 LEU 49 2HD1 LEU 49 -0.128 3.605 -5.237 414 3HD1 LEU 49 3HD1 LEU 49 0.342 4.750 -6.492 415 1HD2 LEU 49 1HD2 LEU 49 0.082 2.708 -9.176 416 2HD2 LEU 49 2HD2 LEU 49 1.684 3.313 -8.755 417 3HD2 LEU 49 3HD2 LEU 49 0.260 4.309 -8.457 418 H ASN 50 H ASN 50 1.012 0.319 -3.507 419 HA ASN 50 HA ASN 50 3.858 0.059 -3.006 420 1HB ASN 50 2HB ASN 50 2.099 1.069 -1.407 421 2HB ASN 50 1HB ASN 50 1.666 -0.597 -1.041 422 1HD2 ASN 50 1HD2 ASN 50 4.987 0.588 -1.723 423 2HD2 ASN 50 2HD2 ASN 50 5.604 0.185 -0.198 424 H HIS 51 H HIS 51 1.116 -2.074 -3.381 425 HA HIS 51 HA HIS 51 1.949 -4.445 -2.208 426 1HB HIS 51 2HB HIS 51 -0.143 -4.302 -3.461 427 2HB HIS 51 1HB HIS 51 0.737 -4.032 -4.964 428 HD1 HIS 51 HD1 HIS 51 0.685 -6.697 -2.219 429 HD2 HIS 51 HD2 HIS 51 1.084 -6.369 -6.350 430 HE1 HIS 51 HE1 HIS 51 0.882 -9.061 -3.108 431 H SER 52 H SER 52 3.324 -2.744 -4.942 432 HA SER 52 HA SER 52 5.471 -4.793 -5.043 433 1HB SER 52 2HB SER 52 4.847 -3.172 -7.454 434 2HB SER 52 1HB SER 52 5.376 -4.847 -7.325 435 HG SER 52 HG SER 52 2.827 -3.728 -7.195 436 H LEU 53 H LEU 53 4.654 -1.524 -4.453 437 HA LEU 53 HA LEU 53 7.230 -0.455 -5.377 438 1HB LEU 53 2HB LEU 53 4.724 0.712 -4.569 439 2HB LEU 53 1HB LEU 53 6.026 1.410 -3.618 440 HG LEU 53 HG LEU 53 7.166 2.207 -5.516 441 1HD1 LEU 53 1HD1 LEU 53 6.316 1.495 -7.857 442 2HD1 LEU 53 2HD1 LEU 53 5.536 0.163 -7.008 443 3HD1 LEU 53 3HD1 LEU 53 7.283 0.340 -6.946 444 1HD2 LEU 53 1HD2 LEU 53 4.392 2.764 -5.251 445 2HD2 LEU 53 2HD2 LEU 53 4.740 2.672 -6.977 446 3HD2 LEU 53 3HD2 LEU 53 5.638 3.795 -5.955 447 H ARG 54 H ARG 54 6.015 -1.926 -2.538 448 HA ARG 54 HA ARG 54 7.640 -0.759 -0.542 449 1HB ARG 54 2HB ARG 54 5.943 -2.625 -0.210 450 2HB ARG 54 1HB ARG 54 7.141 -3.738 -0.870 451 1HG ARG 54 2HG ARG 54 8.648 -3.354 0.931 452 2HG ARG 54 1HG ARG 54 7.767 -1.921 1.462 453 1HD ARG 54 2HD ARG 54 6.251 -4.485 1.362 454 2HD ARG 54 1HD ARG 54 7.442 -4.304 2.651 455 HE ARG 54 HE ARG 54 5.277 -2.283 2.227 456 1HH1 ARG 54 2HH1 ARG 54 4.672 -4.630 4.018 457 2HH1 ARG 54 1HH1 ARG 54 5.097 -4.004 5.576 458 1HH2 ARG 54 1HH2 ARG 54 6.933 -1.351 4.303 459 2HH2 ARG 54 2HH2 ARG 54 6.373 -2.145 5.738 460 H LEU 55 H LEU 55 8.392 -2.655 -3.331 461 HA LEU 55 HA LEU 55 10.959 -3.685 -2.699 462 1HB LEU 55 2HB LEU 55 9.294 -3.391 -5.017 463 2HB LEU 55 1HB LEU 55 10.921 -2.845 -5.422 464 HG LEU 55 HG LEU 55 10.478 -5.339 -5.743 465 1HD1 LEU 55 1HD1 LEU 55 12.701 -5.814 -5.250 466 2HD1 LEU 55 2HD1 LEU 55 12.657 -4.926 -3.728 467 3HD1 LEU 55 3HD1 LEU 55 12.731 -4.051 -5.256 468 1HD2 LEU 55 1HD2 LEU 55 11.021 -5.843 -2.899 469 2HD2 LEU 55 2HD2 LEU 55 9.877 -6.640 -3.980 470 3HD2 LEU 55 3HD2 LEU 55 9.434 -5.129 -3.185 471 H ALA 56 H ALA 56 9.973 -0.570 -4.065 472 HA ALA 56 HA ALA 56 12.120 0.776 -4.865 473 1HB ALA 56 1HB ALA 56 9.965 1.865 -4.306 474 2HB ALA 56 2HB ALA 56 11.342 2.794 -3.713 475 3HB ALA 56 3HB ALA 56 10.395 1.810 -2.597 476 H ALA 57 H ALA 57 11.647 -0.125 -1.456 477 HA ALA 57 HA ALA 57 14.383 0.860 -0.834 478 1HB ALA 57 1HB ALA 57 12.211 1.241 0.618 479 2HB ALA 57 2HB ALA 57 13.749 0.895 1.409 480 3HB ALA 57 3HB ALA 57 12.558 -0.389 1.195 481 H MET 58 H MET 58 12.431 -2.089 -0.962 482 HA MET 58 HA MET 58 14.302 -3.874 0.239 483 1HB MET 58 2HB MET 58 11.822 -4.068 -1.137 484 2HB MET 58 1HB MET 58 12.946 -5.180 -1.918 485 1HG MET 58 2HG MET 58 13.374 -6.343 0.109 486 2HG MET 58 1HG MET 58 12.654 -5.063 1.087 487 1HE MET 58 1HE MET 58 10.810 -7.987 -1.765 488 2HE MET 58 2HE MET 58 11.557 -8.723 -0.349 489 3HE MET 58 3HE MET 58 12.496 -7.633 -1.364 490 H THR 59 H THR 59 16.412 -3.338 -0.555 491 HA THR 59 HA THR 59 16.877 -3.685 -3.462 492 HB THR 59 HB THR 59 17.955 -1.798 -2.173 493 HG1 THR 59 HG1 THR 59 19.966 -3.523 -3.087 494 1HG2 THR 59 1HG2 THR 59 18.357 -3.318 -0.147 495 2HG2 THR 59 2HG2 THR 59 19.679 -2.242 -0.602 496 3HG2 THR 59 3HG2 THR 59 19.742 -3.950 -1.039 497 H ALA 60 H ALA 60 16.175 -5.897 -1.494 498 HA ALA 60 HA ALA 60 18.572 -7.607 -2.028 499 1HB ALA 60 1HB ALA 60 18.637 -7.863 0.219 500 2HB ALA 60 2HB ALA 60 17.191 -8.854 0.026 501 3HB ALA 60 3HB ALA 60 17.041 -7.142 0.426 502 H HIS 61 H HIS 61 15.442 -7.061 -2.943 503 HA HIS 61 HA HIS 61 13.962 -9.354 -2.974 504 1HB HIS 61 2HB HIS 61 13.426 -7.240 -4.234 505 2HB HIS 61 1HB HIS 61 14.529 -7.781 -5.500 506 HD1 HIS 61 HD1 HIS 61 13.123 -10.771 -4.249 507 HD2 HIS 61 HD2 HIS 61 11.665 -7.769 -6.750 508 HE1 HIS 61 HE1 HIS 61 11.171 -11.775 -5.513 509 H GLY 62 H GLY 62 15.292 -11.197 -2.807 510 1HA GLY 62 2HA GLY 62 17.187 -11.858 -4.940 511 2HA GLY 62 1HA GLY 62 16.775 -12.888 -3.569 512 H LYS 63 H LYS 63 15.490 -11.703 -6.673 513 HA LYS 63 HA LYS 63 14.607 -14.322 -7.456 514 1HB LYS 63 2HB LYS 63 12.840 -12.953 -5.712 515 2HB LYS 63 1HB LYS 63 12.126 -12.861 -7.322 516 1HG LYS 63 2HG LYS 63 12.510 -15.343 -7.547 517 2HG LYS 63 1HG LYS 63 12.996 -15.363 -5.852 518 1HD LYS 63 2HD LYS 63 10.829 -14.607 -5.136 519 2HD LYS 63 1HD LYS 63 10.337 -14.267 -6.795 520 1HE LYS 63 2HE LYS 63 11.144 -16.954 -6.819 521 2HE LYS 63 1HE LYS 63 10.218 -16.770 -5.329 522 1HZ LYS 63 1HZ LYS 63 8.980 -15.402 -7.493 523 2HZ LYS 63 2HZ LYS 63 8.344 -16.605 -6.473 524 3HZ LYS 63 3HZ LYS 63 9.208 -17.040 -7.870 525 H GLY 64 H GLY 64 14.028 -10.822 -7.789 526 1HA GLY 64 2HA GLY 64 14.728 -10.920 -10.611 527 2HA GLY 64 1HA GLY 64 13.000 -10.668 -10.363 528 H GLU 65 H GLU 65 16.155 -9.222 -10.118 529 HA GLU 65 HA GLU 65 14.922 -6.569 -9.932 530 1HB GLU 65 2HB GLU 65 16.210 -5.907 -7.916 531 2HB GLU 65 1HB GLU 65 15.046 -7.181 -7.557 532 1HG GLU 65 2HG GLU 65 16.681 -8.610 -6.946 533 2HG GLU 65 1HG GLU 65 17.595 -8.290 -8.419 534 H ARG 66 H ARG 66 16.165 -5.148 -11.077 535 HA ARG 66 HA ARG 66 18.738 -6.129 -12.130 536 1HB ARG 66 2HB ARG 66 16.869 -4.859 -13.446 537 2HB ARG 66 1HB ARG 66 17.577 -3.415 -12.720 538 1HG ARG 66 2HG ARG 66 19.845 -4.420 -13.558 539 2HG ARG 66 1HG ARG 66 18.822 -5.364 -14.643 540 1HD ARG 66 2HD ARG 66 18.097 -2.519 -14.536 541 2HD ARG 66 1HD ARG 66 19.727 -2.808 -15.147 542 HE ARG 66 HE ARG 66 17.351 -3.293 -16.621 543 1HH1 ARG 66 2HH1 ARG 66 20.095 -3.305 -17.813 544 2HH1 ARG 66 1HH1 ARG 66 20.270 -4.954 -18.310 545 1HH2 ARG 66 1HH2 ARG 66 17.649 -6.101 -16.352 546 2HH2 ARG 66 2HH2 ARG 66 18.887 -6.538 -17.483 547 H VAL 67 H VAL 67 19.413 -3.035 -12.283 548 HA VAL 67 HA VAL 67 20.084 -2.451 -9.495 549 HB VAL 67 HB VAL 67 22.587 -2.326 -10.128 550 1HG1 VAL 67 1HG1 VAL 67 21.243 -4.126 -8.732 551 2HG1 VAL 67 2HG1 VAL 67 22.919 -4.430 -9.188 552 3HG1 VAL 67 3HG1 VAL 67 21.607 -5.162 -10.112 553 1HG2 VAL 67 1HG2 VAL 67 21.433 -3.999 -12.367 554 2HG2 VAL 67 2HG2 VAL 67 23.114 -4.168 -11.861 555 3HG2 VAL 67 3HG2 VAL 67 22.531 -2.625 -12.485 556 H ASN 68 H ASN 68 18.633 -1.105 -11.635 557 HA ASN 68 HA ASN 68 20.018 1.472 -11.509 558 1HB ASN 68 2HB ASN 68 20.574 -0.150 -13.705 559 2HB ASN 68 1HB ASN 68 19.325 0.945 -14.294 560 1HD2 ASN 68 1HD2 ASN 68 22.297 1.177 -12.239 561 2HD2 ASN 68 2HD2 ASN 68 22.841 2.621 -12.945 562 H GLU 69 H GLU 69 18.477 2.543 -13.772 563 HA GLU 69 HA GLU 69 16.082 3.276 -12.436 564 1HB GLU 69 2HB GLU 69 16.730 3.256 -15.402 565 2HB GLU 69 1HB GLU 69 15.324 4.055 -14.696 566 1HG GLU 69 2HG GLU 69 16.602 5.691 -13.653 567 2HG GLU 69 1HG GLU 69 18.038 4.668 -13.581 568 H ASP 70 H ASP 70 16.696 0.706 -14.827 569 HA ASP 70 HA ASP 70 13.966 -0.128 -15.071 570 1HB ASP 70 2HB ASP 70 16.588 -1.562 -15.481 571 2HB ASP 70 1HB ASP 70 15.036 -2.363 -15.721 572 H TYR 71 H TYR 71 16.616 -1.260 -12.944 573 HA TYR 71 HA TYR 71 15.682 -3.376 -11.558 574 1HB TYR 71 2HB TYR 71 17.567 -2.342 -10.580 575 2HB TYR 71 1HB TYR 71 16.754 -0.787 -10.450 576 HD1 TYR 71 HD1 TYR 71 16.555 -0.208 -8.228 577 HD2 TYR 71 HD2 TYR 71 15.725 -4.251 -9.410 578 HE1 TYR 71 HE1 TYR 71 15.795 -0.716 -5.918 579 HE2 TYR 71 HE2 TYR 71 14.971 -4.766 -7.097 580 HH TYR 71 HH TYR 71 14.125 -2.555 -4.904 581 H LEU 72 H LEU 72 14.463 -0.099 -11.045 582 HA LEU 72 HA LEU 72 12.583 -0.682 -9.070 583 1HB LEU 72 2HB LEU 72 12.143 1.285 -11.303 584 2HB LEU 72 1HB LEU 72 11.513 1.357 -9.656 585 HG LEU 72 HG LEU 72 14.367 1.705 -10.565 586 1HD1 LEU 72 1HD1 LEU 72 13.015 3.707 -10.619 587 2HD1 LEU 72 2HD1 LEU 72 14.051 3.797 -9.195 588 3HD1 LEU 72 3HD1 LEU 72 12.353 3.357 -9.024 589 1HD2 LEU 72 1HD2 LEU 72 14.076 0.184 -8.510 590 2HD2 LEU 72 2HD2 LEU 72 13.429 1.609 -7.706 591 3HD2 LEU 72 3HD2 LEU 72 15.079 1.615 -8.303 592 H ARG 73 H ARG 73 11.940 -0.422 -12.556 593 HA ARG 73 HA ARG 73 9.270 -1.441 -12.343 594 1HB ARG 73 2HB ARG 73 11.009 -0.654 -14.440 595 2HB ARG 73 1HB ARG 73 10.509 -2.305 -14.813 596 1HG ARG 73 2HG ARG 73 8.230 -1.736 -14.872 597 2HG ARG 73 1HG ARG 73 8.480 -0.263 -13.934 598 1HD ARG 73 2HD ARG 73 8.117 0.419 -16.207 599 2HD ARG 73 1HD ARG 73 9.838 0.625 -15.881 600 HE ARG 73 HE ARG 73 9.948 -1.791 -16.967 601 1HH1 ARG 73 2HH1 ARG 73 8.693 -2.739 -18.765 602 2HH1 ARG 73 1HH1 ARG 73 8.178 -1.629 -19.991 603 1HH2 ARG 73 2HH2 ARG 73 8.311 0.599 -19.628 604 2HH2 ARG 73 1HH2 ARG 73 8.929 1.196 -18.124 605 H GLN 74 H GLN 74 12.233 -3.152 -13.307 606 HA GLN 74 HA GLN 74 11.262 -5.761 -13.408 607 1HB GLN 74 2HB GLN 74 13.684 -4.795 -13.835 608 2HB GLN 74 1HB GLN 74 13.928 -5.174 -12.136 609 1HG GLN 74 2HG GLN 74 14.452 -7.259 -12.819 610 2HG GLN 74 1HG GLN 74 12.724 -7.471 -13.097 611 1HE2 GLN 74 1HE2 GLN 74 12.083 -6.283 -15.384 612 2HE2 GLN 74 2HE2 GLN 74 13.084 -6.738 -16.678 613 H ALA 75 H ALA 75 11.665 -3.683 -10.750 614 HA ALA 75 HA ALA 75 11.767 -5.759 -8.719 615 1HB ALA 75 1HB ALA 75 12.686 -3.939 -7.708 616 2HB ALA 75 2HB ALA 75 11.042 -3.322 -7.541 617 3HB ALA 75 3HB ALA 75 12.022 -2.856 -8.926 618 H PHE 76 H PHE 76 9.484 -3.146 -9.424 619 HA PHE 76 HA PHE 76 7.296 -4.686 -8.189 620 1HB PHE 76 2HB PHE 76 6.483 -2.658 -7.555 621 2HB PHE 76 1HB PHE 76 8.093 -2.084 -7.926 622 HD1 PHE 76 HD1 PHE 76 8.261 -1.960 -10.779 623 HD2 PHE 76 HD2 PHE 76 4.897 -1.129 -8.247 624 HE1 PHE 76 HE1 PHE 76 7.298 -0.500 -12.525 625 HE2 PHE 76 HE2 PHE 76 3.930 0.333 -9.991 626 HZ PHE 76 HZ PHE 76 5.133 0.639 -12.152 627 H ARG 77 H ARG 77 8.359 -5.321 -10.917 628 HA ARG 77 HA ARG 77 5.744 -5.251 -12.283 629 1HB ARG 77 2HB ARG 77 8.037 -3.584 -13.074 630 2HB ARG 77 1HB ARG 77 7.382 -4.539 -14.385 631 1HG ARG 77 2HG ARG 77 5.227 -3.426 -12.827 632 2HG ARG 77 1HG ARG 77 6.333 -2.144 -13.316 633 1HD ARG 77 2HD ARG 77 4.643 -2.442 -15.041 634 2HD ARG 77 1HD ARG 77 6.207 -2.974 -15.660 635 HE ARG 77 HE ARG 77 4.948 -5.248 -14.556 636 1HH1 ARG 77 2HH1 ARG 77 4.209 -6.752 -16.092 637 2HH1 ARG 77 1HH1 ARG 77 3.465 -6.171 -17.545 638 1HH2 ARG 77 2HH2 ARG 77 3.410 -3.950 -17.977 639 2HH2 ARG 77 1HH2 ARG 77 4.106 -2.832 -16.851 640 H GLU 78 H GLU 78 9.121 -6.308 -12.276 641 HA GLU 78 HA GLU 78 8.970 -8.238 -14.334 642 1HB GLU 78 2HB GLU 78 11.049 -8.889 -13.602 643 2HB GLU 78 1HB GLU 78 10.929 -7.381 -12.717 644 1HG GLU 78 2HG GLU 78 11.519 -8.812 -10.992 645 2HG GLU 78 1HG GLU 78 9.760 -8.928 -10.899 646 H LEU 79 H LEU 79 7.420 -8.187 -11.270 647 HA LEU 79 HA LEU 79 6.986 -11.130 -11.332 648 1HB LEU 79 2HB LEU 79 6.316 -9.059 -9.228 649 2HB LEU 79 1HB LEU 79 5.961 -10.779 -9.087 650 HG LEU 79 HG LEU 79 8.602 -10.866 -9.752 651 1HD1 LEU 79 1HD1 LEU 79 8.685 -8.730 -7.700 652 2HD1 LEU 79 2HD1 LEU 79 8.275 -8.198 -9.331 653 3HD1 LEU 79 3HD1 LEU 79 9.790 -9.051 -9.037 654 1HD2 LEU 79 1HD2 LEU 79 7.112 -10.811 -7.146 655 2HD2 LEU 79 2HD2 LEU 79 8.872 -10.912 -7.121 656 3HD2 LEU 79 3HD2 LEU 79 7.928 -12.161 -7.933 657 H ASP 80 H ASP 80 4.863 -8.355 -10.485 658 HA ASP 80 HA ASP 80 3.006 -8.598 -12.562 659 1HB ASP 80 2HB ASP 80 1.275 -10.039 -11.242 660 2HB ASP 80 1HB ASP 80 2.551 -10.849 -12.160 661 H LEU 81 H LEU 81 3.068 -8.477 -9.003 662 HA LEU 81 HA LEU 81 2.315 -6.772 -7.601 663 1HB LEU 81 2HB LEU 81 0.917 -5.457 -9.916 664 2HB LEU 81 1HB LEU 81 1.534 -4.739 -8.438 665 HG LEU 81 HG LEU 81 3.015 -5.512 -10.918 666 1HD1 LEU 81 1HD1 LEU 81 3.741 -3.274 -9.084 667 2HD1 LEU 81 2HD1 LEU 81 2.219 -3.143 -9.965 668 3HD1 LEU 81 3HD1 LEU 81 3.736 -3.324 -10.846 669 1HD2 LEU 81 1HD2 LEU 81 4.624 -6.561 -9.709 670 2HD2 LEU 81 2HD2 LEU 81 3.924 -6.050 -8.182 671 3HD2 LEU 81 3HD2 LEU 81 5.001 -4.974 -9.058 672 H ASP 82 H ASP 82 1.064 -9.080 -7.569 673 HA ASP 82 HA ASP 82 -1.673 -8.352 -7.031 674 1HB ASP 82 2HB ASP 82 -2.786 -9.796 -8.627 675 2HB ASP 82 1HB ASP 82 -1.735 -8.685 -9.505 676 H VAL 83 H VAL 83 0.810 -10.797 -7.174 677 HA VAL 83 HA VAL 83 -0.280 -12.000 -4.738 678 HB VAL 83 HB VAL 83 -0.102 -14.329 -5.969 679 1HG1 VAL 83 1HG1 VAL 83 -2.525 -12.682 -6.656 680 2HG1 VAL 83 2HG1 VAL 83 -2.143 -13.031 -4.970 681 3HG1 VAL 83 3HG1 VAL 83 -2.441 -14.353 -6.098 682 1HG2 VAL 83 1HG2 VAL 83 -0.125 -14.314 -8.238 683 2HG2 VAL 83 2HG2 VAL 83 0.444 -12.651 -8.093 684 3HG2 VAL 83 3HG2 VAL 83 -1.276 -12.980 -8.302 685 H ASP 84 H ASP 84 2.167 -12.048 -7.288 686 HA ASP 84 HA ASP 84 4.006 -13.760 -5.862 687 1HB ASP 84 2HB ASP 84 4.311 -11.826 -8.159 688 2HB ASP 84 1HB ASP 84 5.685 -12.708 -7.493 689 H ILE 85 H ILE 85 3.514 -10.263 -5.975 690 HA ILE 85 HA ILE 85 5.905 -9.811 -4.304 691 HB ILE 85 HB ILE 85 4.383 -7.437 -4.342 692 1HG1 ILE 85 2HG1 ILE 85 3.040 -8.531 -6.176 693 2HG1 ILE 85 1HG1 ILE 85 3.884 -7.072 -6.678 694 1HG2 ILE 85 1HG2 ILE 85 6.334 -7.381 -6.406 695 2HG2 ILE 85 2HG2 ILE 85 6.947 -8.446 -5.140 696 3HG2 ILE 85 3HG2 ILE 85 6.490 -6.788 -4.752 697 1HD1 ILE 85 1HD1 ILE 85 5.710 -9.188 -7.072 698 2HD1 ILE 85 2HD1 ILE 85 4.875 -8.254 -8.312 699 3HD1 ILE 85 3HD1 ILE 85 4.164 -9.750 -7.708 700 H SER 86 H SER 86 2.920 -10.968 -3.664 701 HA SER 86 HA SER 86 2.293 -9.380 -1.295 702 1HB SER 86 2HB SER 86 0.372 -10.650 -1.166 703 2HB SER 86 1HB SER 86 0.766 -10.945 -2.858 704 HG SER 86 HG SER 86 0.418 -12.768 -1.142 705 H THR 87 H THR 87 1.711 -11.452 0.562 706 HA THR 87 HA THR 87 4.491 -12.231 1.335 707 HB THR 87 HB THR 87 1.928 -12.054 2.957 708 HG1 THR 87 HG1 THR 87 4.334 -10.554 2.924 709 1HG2 THR 87 1HG2 THR 87 4.196 -12.269 4.622 710 2HG2 THR 87 2HG2 THR 87 4.361 -13.538 3.409 711 3HG2 THR 87 3HG2 THR 87 2.911 -13.458 4.410 712 H LEU 88 H LEU 88 1.378 -13.343 0.434 713 HA LEU 88 HA LEU 88 1.744 -16.117 1.236 714 1HB LEU 88 2HB LEU 88 -0.287 -14.439 -0.149 715 2HB LEU 88 1HB LEU 88 -0.309 -16.150 -0.505 716 HG LEU 88 HG LEU 88 -1.147 -16.685 1.548 717 1HD1 LEU 88 1HD1 LEU 88 0.816 -14.641 2.572 718 2HD1 LEU 88 2HD1 LEU 88 0.729 -16.366 2.927 719 3HD1 LEU 88 3HD1 LEU 88 -0.452 -15.260 3.631 720 1HD2 LEU 88 1HD2 LEU 88 -1.795 -14.049 2.494 721 2HD2 LEU 88 2HD2 LEU 88 -2.859 -15.244 1.753 722 3HD2 LEU 88 3HD2 LEU 88 -1.981 -14.097 0.740 723 H LEU 89 H LEU 89 3.643 -16.837 0.147 724 HA LEU 89 HA LEU 89 3.282 -17.180 -2.788 725 1HB LEU 89 2HB LEU 89 4.895 -15.405 -2.613 726 2HB LEU 89 1HB LEU 89 5.776 -16.251 -1.341 727 HG LEU 89 HG LEU 89 6.585 -17.899 -2.845 728 1HD1 LEU 89 1HD1 LEU 89 5.649 -17.518 -5.365 729 2HD1 LEU 89 2HD1 LEU 89 4.227 -17.049 -4.434 730 3HD1 LEU 89 3HD1 LEU 89 4.925 -18.656 -4.228 731 1HD2 LEU 89 1HD2 LEU 89 8.026 -16.251 -3.462 732 2HD2 LEU 89 2HD2 LEU 89 6.729 -15.075 -3.675 733 3HD2 LEU 89 3HD2 LEU 89 7.103 -16.219 -4.964 734 H ARG 90 H ARG 90 5.684 -18.114 -0.298 735 HA ARG 90 HA ARG 90 6.705 -20.221 0.027 736 1HB ARG 90 2HB ARG 90 5.126 -21.898 0.768 737 2HB ARG 90 1HB ARG 90 4.527 -20.324 1.290 738 1HG ARG 90 2HG ARG 90 2.874 -20.261 -0.400 739 2HG ARG 90 1HG ARG 90 3.656 -21.539 -1.332 740 1HD ARG 90 2HD ARG 90 3.053 -23.206 0.286 741 2HD ARG 90 1HD ARG 90 2.519 -21.981 1.438 742 HE ARG 90 HE ARG 90 1.075 -22.704 -1.071 743 1HH1 ARG 90 2HH1 ARG 90 0.110 -20.139 -0.755 744 2HH1 ARG 90 1HH1 ARG 90 -1.049 -20.193 0.530 745 1HH2 ARG 90 2HH2 ARG 90 -1.061 -21.938 1.969 746 2HH2 ARG 90 1HH2 ARG 90 0.088 -23.221 1.782 747 H ASN 91 HN ASN 91 5.890 -22.789 -0.811 748 HA ASN 91 HA ASN 91 6.819 -22.739 -3.571 749 1HB ASN 91 2HB ASN 91 6.349 -25.266 -3.369 750 2HB ASN 91 1HB ASN 91 7.579 -24.593 -2.297 751 1HD2 ASN 91 1HD2 ASN 91 7.176 -26.259 -0.660 752 2HD2 ASN 91 2HD2 ASN 91 5.765 -26.239 0.283 Start of MODEL 15 1 1H GLY 1 1H GLY 1 -21.468 7.478 -7.746 2 2H GLY 1 2H GLY 1 -20.193 7.760 -6.660 3 3H GLY 1 3H GLY 1 -20.980 6.254 -6.677 4 1HA GLY 1 1HA GLY 1 -19.179 5.750 -7.982 5 2HA GLY 1 2HA GLY 1 -20.255 6.340 -9.284 6 H SER 2 H SER 2 -18.069 7.009 -6.391 7 HA SER 2 HA SER 2 -16.090 8.351 -8.176 8 1HB SER 2 2HB SER 2 -16.572 8.509 -5.193 9 2HB SER 2 1HB SER 2 -15.160 9.215 -5.975 10 HG SER 2 HG SER 2 -16.466 10.847 -6.260 11 H ARG 3 H ARG 3 -14.024 7.519 -8.355 12 HA ARG 3 HA ARG 3 -13.560 4.876 -7.083 13 1HB ARG 3 2HB ARG 3 -12.254 6.348 -9.379 14 2HB ARG 3 1HB ARG 3 -11.546 4.891 -8.679 15 1HG ARG 3 2HG ARG 3 -14.441 4.787 -9.378 16 2HG ARG 3 1HG ARG 3 -13.292 4.784 -10.716 17 1HD ARG 3 2HD ARG 3 -13.726 2.482 -10.069 18 2HD ARG 3 1HD ARG 3 -12.078 2.897 -9.597 19 HE ARG 3 HE ARG 3 -12.882 3.098 -7.269 20 1HH1 ARG 3 2HH1 ARG 3 -15.776 3.524 -7.671 21 2HH1 ARG 3 1HH1 ARG 3 -16.446 1.958 -7.360 22 1HH2 ARG 3 1HH2 ARG 3 -13.419 0.301 -7.699 23 2HH2 ARG 3 2HH2 ARG 3 -15.113 0.134 -7.377 24 H ILE 4 H ILE 4 -13.398 6.823 -5.190 25 HA ILE 4 HA ILE 4 -10.565 7.652 -4.954 26 HB ILE 4 HB ILE 4 -11.311 8.916 -2.997 27 1HG1 ILE 4 2HG1 ILE 4 -14.106 8.636 -3.036 28 2HG1 ILE 4 1HG1 ILE 4 -13.484 6.987 -3.111 29 1HG2 ILE 4 1HG2 ILE 4 -13.599 9.575 -4.685 30 2HG2 ILE 4 2HG2 ILE 4 -12.128 9.341 -5.629 31 3HG2 ILE 4 3HG2 ILE 4 -12.161 10.531 -4.328 32 1HD1 ILE 4 1HD1 ILE 4 -12.878 7.063 -0.946 33 2HD1 ILE 4 2HD1 ILE 4 -13.655 8.641 -0.828 34 3HD1 ILE 4 3HD1 ILE 4 -11.939 8.529 -1.222 35 H ALA 5 H ALA 5 -9.151 6.765 -3.455 36 HA ALA 5 HA ALA 5 -9.972 4.196 -2.261 37 1HB ALA 5 1HB ALA 5 -7.655 4.960 -3.431 38 2HB ALA 5 2HB ALA 5 -7.741 3.672 -2.230 39 3HB ALA 5 3HB ALA 5 -7.261 5.299 -1.746 40 H LYS 6 H LYS 6 -8.654 3.963 0.051 41 HA LYS 6 HA LYS 6 -10.199 5.241 1.990 42 1HB LYS 6 2HB LYS 6 -8.317 3.366 2.147 43 2HB LYS 6 1HB LYS 6 -7.318 4.739 2.624 44 1HG LYS 6 2HG LYS 6 -9.982 4.075 3.905 45 2HG LYS 6 1HG LYS 6 -8.426 3.560 4.557 46 1HD LYS 6 2HD LYS 6 -8.037 6.262 4.101 47 2HD LYS 6 1HD LYS 6 -9.707 6.194 4.660 48 1HE LYS 6 2HE LYS 6 -8.336 4.431 6.346 49 2HE LYS 6 1HE LYS 6 -7.251 5.811 6.170 50 1HZ LYS 6 1HZ LYS 6 -9.386 7.172 6.562 51 2HZ LYS 6 2HZ LYS 6 -8.611 6.455 7.893 52 3HZ LYS 6 3HZ LYS 6 -9.998 5.736 7.224 53 H ARG 7 H ARG 7 -7.141 6.355 0.556 54 HA ARG 7 HA ARG 7 -7.455 8.925 2.034 55 1HB ARG 7 2HB ARG 7 -5.214 7.347 1.600 56 2HB ARG 7 1HB ARG 7 -5.044 8.629 0.400 57 1HG ARG 7 2HG ARG 7 -3.997 9.248 2.566 58 2HG ARG 7 1HG ARG 7 -5.325 10.330 2.145 59 1HD ARG 7 2HD ARG 7 -6.332 8.054 3.613 60 2HD ARG 7 1HD ARG 7 -5.039 8.835 4.521 61 HE ARG 7 HE ARG 7 -7.010 10.706 3.436 62 1HH1 ARG 7 2HH1 ARG 7 -5.440 11.114 5.966 63 2HH1 ARG 7 1HH1 ARG 7 -6.648 10.861 7.183 64 1HH2 ARG 7 1HH2 ARG 7 -8.869 9.297 5.026 65 2HH2 ARG 7 2HH2 ARG 7 -8.589 9.832 6.650 66 H THR 8 H THR 8 -6.374 10.779 0.474 67 HA THR 8 HA THR 8 -7.529 10.496 -2.251 68 HB THR 8 HB THR 8 -8.211 12.671 -0.254 69 HG1 THR 8 HG1 THR 8 -9.870 11.425 -0.058 70 1HG2 THR 8 1HG2 THR 8 -8.016 13.973 -2.149 71 2HG2 THR 8 2HG2 THR 8 -9.654 13.363 -2.387 72 3HG2 THR 8 3HG2 THR 8 -8.302 12.616 -3.239 73 H ALA 9 H ALA 9 -4.845 11.066 -0.574 74 HA ALA 9 HA ALA 9 -3.856 13.568 -1.536 75 1HB ALA 9 1HB ALA 9 -2.739 11.162 -0.278 76 2HB ALA 9 2HB ALA 9 -2.309 12.854 -0.039 77 3HB ALA 9 3HB ALA 9 -1.618 11.952 -1.387 78 H ILE 10 H ILE 10 -1.633 13.236 -3.022 79 HA ILE 10 HA ILE 10 -2.733 12.251 -5.596 80 HB ILE 10 HB ILE 10 -0.272 13.926 -5.033 81 1HG1 ILE 10 2HG1 ILE 10 -2.711 14.995 -6.380 82 2HG1 ILE 10 1HG1 ILE 10 -2.794 14.755 -4.635 83 1HG2 ILE 10 1HG2 ILE 10 0.250 13.511 -7.184 84 2HG2 ILE 10 2HG2 ILE 10 -1.268 14.272 -7.663 85 3HG2 ILE 10 3HG2 ILE 10 -1.205 12.533 -7.379 86 1HD1 ILE 10 1HD1 ILE 10 -1.987 16.973 -4.903 87 2HD1 ILE 10 2HD1 ILE 10 -0.875 16.497 -6.187 88 3HD1 ILE 10 3HD1 ILE 10 -0.556 16.015 -4.521 89 H ASN 11 H ASN 11 0.634 12.390 -4.457 90 HA ASN 11 HA ASN 11 2.227 10.650 -4.240 91 1HB ASN 11 2HB ASN 11 0.098 9.286 -3.522 92 2HB ASN 11 1HB ASN 11 0.176 8.645 -5.158 93 1HD2 ASN 11 1HD2 ASN 11 1.205 6.646 -5.074 94 2HD2 ASN 11 2HD2 ASN 11 2.588 6.297 -4.159 95 H LYS 12 H LYS 12 2.960 8.694 -5.896 96 HA LYS 12 HA LYS 12 3.686 9.901 -8.312 97 1HB LYS 12 2HB LYS 12 3.455 7.278 -9.112 98 2HB LYS 12 1HB LYS 12 4.847 7.947 -8.268 99 1HG LYS 12 2HG LYS 12 2.541 7.013 -6.614 100 2HG LYS 12 1HG LYS 12 3.573 5.789 -7.355 101 1HD LYS 12 2HD LYS 12 4.960 8.055 -6.016 102 2HD LYS 12 1HD LYS 12 4.140 6.904 -4.964 103 1HE LYS 12 2HE LYS 12 5.344 5.109 -6.461 104 2HE LYS 12 1HE LYS 12 6.430 6.443 -6.848 105 1HZ LYS 12 1HZ LYS 12 5.737 5.894 -4.044 106 2HZ LYS 12 2HZ LYS 12 7.129 6.629 -4.684 107 3HZ LYS 12 3HZ LYS 12 6.916 4.948 -4.812 108 H THR 13 H THR 13 0.659 8.470 -7.384 109 HA THR 13 HA THR 13 -1.417 8.375 -8.455 110 HB THR 13 HB THR 13 -0.549 10.255 -10.594 111 HG1 THR 13 HG1 THR 13 0.266 11.599 -9.233 112 1HG2 THR 13 1HG2 THR 13 -2.743 11.095 -8.934 113 2HG2 THR 13 2HG2 THR 13 -2.950 9.396 -9.355 114 3HG2 THR 13 3HG2 THR 13 -2.770 10.603 -10.627 115 H LYS 14 H LYS 14 -2.304 8.316 -10.951 116 HA LYS 14 HA LYS 14 -1.146 5.882 -12.040 117 1HB LYS 14 2HB LYS 14 -3.645 7.089 -12.111 118 2HB LYS 14 1HB LYS 14 -3.052 7.281 -13.760 119 1HG LYS 14 2HG LYS 14 -3.907 5.163 -13.981 120 2HG LYS 14 1HG LYS 14 -2.325 4.719 -13.335 121 1HD LYS 14 2HD LYS 14 -3.306 4.786 -11.031 122 2HD LYS 14 1HD LYS 14 -4.889 5.070 -11.756 123 1HE LYS 14 2HE LYS 14 -5.140 2.884 -12.249 124 2HE LYS 14 1HE LYS 14 -3.551 2.817 -13.012 125 1HZ LYS 14 1HZ LYS 14 -4.116 2.614 -10.104 126 2HZ LYS 14 2HZ LYS 14 -2.564 2.642 -10.792 127 3HZ LYS 14 3HZ LYS 14 -3.618 1.351 -11.121 128 H LYS 15 H LYS 15 -1.453 9.257 -13.190 129 HA LYS 15 HA LYS 15 -0.188 8.934 -15.694 130 1HB LYS 15 2HB LYS 15 -1.181 11.073 -14.274 131 2HB LYS 15 1HB LYS 15 0.551 11.407 -14.275 132 1HG LYS 15 2HG LYS 15 -0.784 10.557 -16.826 133 2HG LYS 15 1HG LYS 15 -0.931 12.230 -16.288 134 1HD LYS 15 2HD LYS 15 1.277 12.687 -16.670 135 2HD LYS 15 1HD LYS 15 1.800 11.077 -16.175 136 1HE LYS 15 2HE LYS 15 2.204 11.236 -18.537 137 2HE LYS 15 1HE LYS 15 0.790 10.202 -18.333 138 1HZ LYS 15 1HZ LYS 15 0.428 13.099 -18.670 139 2HZ LYS 15 2HZ LYS 15 -0.624 11.827 -19.072 140 3HZ LYS 15 3HZ LYS 15 0.741 12.138 -20.032 141 H ALA 16 H ALA 16 1.353 10.012 -12.639 142 HA ALA 16 HA ALA 16 3.998 9.333 -13.782 143 1HB ALA 16 1HB ALA 16 3.208 10.584 -11.132 144 2HB ALA 16 2HB ALA 16 3.816 11.441 -12.548 145 3HB ALA 16 3HB ALA 16 4.869 10.333 -11.667 146 H ASP 17 H ASP 17 2.035 7.240 -13.171 147 HA ASP 17 HA ASP 17 2.812 5.899 -10.716 148 1HB ASP 17 2HB ASP 17 0.662 5.660 -12.231 149 2HB ASP 17 1HB ASP 17 1.636 4.446 -13.058 150 H VAL 18 H VAL 18 3.912 5.880 -14.055 151 HA VAL 18 HA VAL 18 5.819 3.685 -13.386 152 HB VAL 18 HB VAL 18 5.186 4.832 -16.119 153 1HG1 VAL 18 1HG1 VAL 18 7.306 3.309 -15.346 154 2HG1 VAL 18 2HG1 VAL 18 6.585 3.228 -16.953 155 3HG1 VAL 18 3HG1 VAL 18 6.130 2.049 -15.722 156 1HG2 VAL 18 1HG2 VAL 18 4.105 2.285 -14.884 157 2HG2 VAL 18 2HG2 VAL 18 3.646 3.005 -16.427 158 3HG2 VAL 18 3HG2 VAL 18 3.201 3.799 -14.916 159 H LYS 19 H LYS 19 5.589 7.074 -13.959 160 HA LYS 19 HA LYS 19 8.385 7.381 -14.783 161 1HB LYS 19 2HB LYS 19 7.967 9.734 -14.790 162 2HB LYS 19 1HB LYS 19 6.490 8.985 -15.392 163 1HG LYS 19 2HG LYS 19 5.667 10.507 -13.819 164 2HG LYS 19 1HG LYS 19 5.753 9.017 -12.881 165 1HD LYS 19 2HD LYS 19 7.189 9.987 -11.446 166 2HD LYS 19 1HD LYS 19 8.309 10.307 -12.770 167 1HE LYS 19 2HE LYS 19 7.751 12.493 -12.838 168 2HE LYS 19 1HE LYS 19 6.026 12.126 -12.802 169 1HZ LYS 19 1HZ LYS 19 7.289 11.570 -10.307 170 2HZ LYS 19 2HZ LYS 19 5.937 12.544 -10.639 171 3HZ LYS 19 3HZ LYS 19 7.505 13.189 -10.761 172 H ALA 20 H ALA 20 6.502 7.728 -11.802 173 HA ALA 20 HA ALA 20 8.822 8.596 -10.231 174 1HB ALA 20 1HB ALA 20 5.955 8.304 -9.836 175 2HB ALA 20 2HB ALA 20 7.105 9.305 -8.949 176 3HB ALA 20 3HB ALA 20 6.860 7.621 -8.485 177 H ILE 21 H ILE 21 7.597 5.614 -11.371 178 HA ILE 21 HA ILE 21 8.706 4.038 -9.165 179 HB ILE 21 HB ILE 21 7.544 3.306 -11.863 180 1HG1 ILE 21 2HG1 ILE 21 5.646 2.669 -10.688 181 2HG1 ILE 21 1HG1 ILE 21 6.546 2.343 -9.221 182 1HG2 ILE 21 1HG2 ILE 21 8.524 1.286 -11.732 183 2HG2 ILE 21 2HG2 ILE 21 7.832 1.051 -10.128 184 3HG2 ILE 21 3HG2 ILE 21 9.407 1.813 -10.301 185 1HD1 ILE 21 1HD1 ILE 21 6.814 4.746 -8.811 186 2HD1 ILE 21 2HD1 ILE 21 5.105 4.349 -8.991 187 3HD1 ILE 21 3HD1 ILE 21 5.978 5.107 -10.323 188 H ALA 22 H ALA 22 9.786 5.269 -12.263 189 HA ALA 22 HA ALA 22 12.195 3.553 -12.171 190 1HB ALA 22 1HB ALA 22 12.375 3.976 -14.388 191 2HB ALA 22 2HB ALA 22 12.170 5.711 -14.156 192 3HB ALA 22 3HB ALA 22 10.757 4.663 -14.262 193 H ASP 23 H ASP 23 11.217 6.867 -11.561 194 HA ASP 23 HA ASP 23 14.019 7.704 -11.122 195 1HB ASP 23 2HB ASP 23 12.290 9.157 -12.316 196 2HB ASP 23 1HB ASP 23 11.532 9.380 -10.740 197 H ALA 24 H ALA 24 11.313 6.583 -9.279 198 HA ALA 24 HA ALA 24 12.389 7.808 -6.805 199 1HB ALA 24 1HB ALA 24 9.901 7.682 -7.241 200 2HB ALA 24 2HB ALA 24 10.418 6.997 -5.699 201 3HB ALA 24 3HB ALA 24 10.030 5.933 -7.049 202 H TRP 25 H TRP 25 12.277 6.109 -4.873 203 HA TRP 25 HA TRP 25 13.248 4.270 -3.846 204 1HB TRP 25 2HB TRP 25 13.719 2.698 -6.299 205 2HB TRP 25 1HB TRP 25 13.068 2.199 -4.759 206 HD1 TRP 25 HD1 TRP 25 10.744 4.846 -5.724 207 HE1 TRP 25 HE1 TRP 25 8.768 3.919 -7.034 208 HE3 TRP 25 HE3 TRP 25 12.477 0.153 -6.832 209 HZ2 TRP 25 HZ2 TRP 25 8.005 1.531 -8.357 210 HZ3 TRP 25 HZ3 TRP 25 11.062 -1.406 -8.109 211 HH2 TRP 25 HH2 TRP 25 8.834 -0.713 -8.878 212 H GLN 26 H GLN 26 15.273 2.562 -5.402 213 HA GLN 26 HA GLN 26 17.471 4.539 -5.179 214 1HB GLN 26 2HB GLN 26 17.414 2.183 -4.067 215 2HB GLN 26 1HB GLN 26 17.813 1.588 -5.677 216 1HG GLN 26 2HG GLN 26 19.971 2.040 -5.221 217 2HG GLN 26 1HG GLN 26 19.548 3.753 -5.264 218 1HE2 GLN 26 1HE2 GLN 26 19.572 4.899 -3.283 219 2HE2 GLN 26 2HE2 GLN 26 19.869 4.173 -1.778 220 H ILE 27 H ILE 27 16.627 5.480 -7.355 221 HA ILE 27 HA ILE 27 17.598 3.832 -9.650 222 HB ILE 27 HB ILE 27 15.661 4.509 -10.615 223 1HG1 ILE 27 2HG1 ILE 27 17.358 6.219 -11.543 224 2HG1 ILE 27 1HG1 ILE 27 15.647 6.588 -11.743 225 1HG2 ILE 27 1HG2 ILE 27 14.056 5.757 -9.527 226 2HG2 ILE 27 2HG2 ILE 27 15.229 6.836 -8.780 227 3HG2 ILE 27 3HG2 ILE 27 15.040 5.196 -8.186 228 1HD1 ILE 27 1HD1 ILE 27 17.093 7.578 -9.301 229 2HD1 ILE 27 2HD1 ILE 27 15.675 8.251 -10.105 230 3HD1 ILE 27 3HD1 ILE 27 17.271 8.441 -10.829 231 H ASN 28 H ASN 28 18.355 6.522 -7.689 232 HA ASN 28 HA ASN 28 20.832 6.964 -9.170 233 1HB ASN 28 2HB ASN 28 19.076 8.392 -10.352 234 2HB ASN 28 1HB ASN 28 18.968 9.327 -8.860 235 1HD2 ASN 28 1HD2 ASN 28 21.305 9.996 -7.997 236 2HD2 ASN 28 2HD2 ASN 28 22.375 10.572 -9.181 237 H GLY 29 H GLY 29 18.612 8.121 -6.651 238 1HA GLY 29 2HA GLY 29 19.330 8.107 -4.306 239 2HA GLY 29 1HA GLY 29 20.975 8.397 -4.864 240 H GLU 30 H GLU 30 19.880 10.392 -6.859 241 HA GLU 30 HA GLU 30 19.488 12.622 -4.910 242 1HB GLU 30 2HB GLU 30 21.637 12.739 -6.132 243 2HB GLU 30 1HB GLU 30 20.764 12.694 -7.663 244 1HG GLU 30 2HG GLU 30 20.840 14.962 -7.499 245 2HG GLU 30 1HG GLU 30 19.478 14.743 -6.401 246 H LYS 31 H LYS 31 18.433 11.147 -7.917 247 HA LYS 31 HA LYS 31 16.408 13.256 -8.352 248 1HB LYS 31 2HB LYS 31 17.449 10.920 -9.898 249 2HB LYS 31 1HB LYS 31 15.801 11.453 -10.230 250 1HG LYS 31 2HG LYS 31 16.616 13.133 -11.485 251 2HG LYS 31 1HG LYS 31 17.420 13.788 -10.058 252 1HD LYS 31 2HD LYS 31 19.364 12.347 -10.464 253 2HD LYS 31 1HD LYS 31 18.560 11.634 -11.862 254 1HE LYS 31 2HE LYS 31 18.517 14.510 -12.079 255 2HE LYS 31 1HE LYS 31 20.171 13.956 -11.819 256 1HZ LYS 31 1HZ LYS 31 19.158 14.022 -14.202 257 2HZ LYS 31 2HZ LYS 31 18.484 12.529 -13.750 258 3HZ LYS 31 3HZ LYS 31 20.169 12.743 -13.738 259 H GLU 32 H GLU 32 16.665 10.024 -7.023 260 HA GLU 32 HA GLU 32 13.763 9.600 -7.066 261 1HB GLU 32 2HB GLU 32 14.285 7.604 -5.667 262 2HB GLU 32 1HB GLU 32 15.247 7.646 -7.140 263 1HG GLU 32 2HG GLU 32 16.983 7.295 -5.701 264 2HG GLU 32 1HG GLU 32 16.870 9.038 -5.466 265 H LEU 33 H LEU 33 16.171 10.804 -4.786 266 HA LEU 33 HA LEU 33 14.458 10.820 -2.486 267 1HB LEU 33 2HB LEU 33 16.085 12.191 -1.466 268 2HB LEU 33 1HB LEU 33 17.026 11.289 -2.650 269 HG LEU 33 HG LEU 33 16.336 13.356 -4.205 270 1HD1 LEU 33 1HD1 LEU 33 16.060 15.392 -3.053 271 2HD1 LEU 33 2HD1 LEU 33 16.653 14.717 -1.535 272 3HD1 LEU 33 3HD1 LEU 33 15.054 14.274 -2.131 273 1HD2 LEU 33 1HD2 LEU 33 18.543 14.011 -4.002 274 2HD2 LEU 33 2HD2 LEU 33 18.638 12.464 -3.163 275 3HD2 LEU 33 3HD2 LEU 33 18.505 13.959 -2.239 276 H GLU 34 H GLU 34 14.693 12.798 -5.328 277 HA GLU 34 HA GLU 34 13.317 15.113 -4.391 278 1HB GLU 34 2HB GLU 34 14.671 14.717 -6.581 279 2HB GLU 34 1HB GLU 34 13.147 14.095 -7.219 280 1HG GLU 34 2HG GLU 34 12.020 16.173 -6.735 281 2HG GLU 34 1HG GLU 34 13.438 16.776 -5.879 282 H LEU 35 H LEU 35 12.078 12.372 -6.393 283 HA LEU 35 HA LEU 35 9.420 13.086 -6.472 284 1HB LEU 35 2HB LEU 35 10.401 10.978 -7.472 285 2HB LEU 35 1HB LEU 35 10.325 10.256 -5.866 286 HG LEU 35 HG LEU 35 8.313 9.971 -7.609 287 1HD1 LEU 35 1HD1 LEU 35 6.748 9.978 -5.528 288 2HD1 LEU 35 2HD1 LEU 35 8.206 10.374 -4.622 289 3HD1 LEU 35 3HD1 LEU 35 8.118 8.871 -5.536 290 1HD2 LEU 35 1HD2 LEU 35 7.456 12.424 -6.066 291 2HD2 LEU 35 2HD2 LEU 35 6.604 11.628 -7.389 292 3HD2 LEU 35 3HD2 LEU 35 8.091 12.523 -7.706 293 H LEU 36 H LEU 36 10.780 10.980 -3.899 294 HA LEU 36 HA LEU 36 8.479 11.130 -2.260 295 1HB LEU 36 2HB LEU 36 10.621 9.602 -2.110 296 2HB LEU 36 1HB LEU 36 11.224 10.893 -1.065 297 HG LEU 36 HG LEU 36 10.018 9.095 0.198 298 1HD1 LEU 36 1HD1 LEU 36 8.272 11.496 0.404 299 2HD1 LEU 36 2HD1 LEU 36 9.997 11.771 0.597 300 3HD1 LEU 36 3HD1 LEU 36 9.154 10.651 1.669 301 1HD2 LEU 36 1HD2 LEU 36 7.781 8.602 -0.233 302 2HD2 LEU 36 2HD2 LEU 36 8.350 8.958 -1.865 303 3HD2 LEU 36 3HD2 LEU 36 7.470 10.183 -0.951 304 H GLN 37 H GLN 37 11.160 13.318 -2.710 305 HA GLN 37 HA GLN 37 11.039 14.837 -0.365 306 1HB GLN 37 2HB GLN 37 12.509 15.141 -2.503 307 2HB GLN 37 1HB GLN 37 11.196 16.175 -3.062 308 1HG GLN 37 2HG GLN 37 11.433 17.625 -1.137 309 2HG GLN 37 1HG GLN 37 12.604 16.530 -0.402 310 1HE2 GLN 37 1HE2 GLN 37 14.179 15.932 -2.728 311 2HE2 GLN 37 2HE2 GLN 37 14.972 17.351 -3.213 312 H GLN 38 H GLN 38 8.627 14.411 -2.770 313 HA GLN 38 HA GLN 38 6.877 16.302 -1.317 314 1HB GLN 38 2HB GLN 38 7.987 16.823 -3.867 315 2HB GLN 38 1HB GLN 38 6.299 16.392 -4.143 316 1HG GLN 38 2HG GLN 38 5.819 18.014 -2.152 317 2HG GLN 38 1HG GLN 38 7.428 18.650 -2.507 318 1HE2 GLN 38 1HE2 GLN 38 4.366 19.469 -3.103 319 2HE2 GLN 38 2HE2 GLN 38 4.482 20.053 -4.691 320 H ILE 39 H ILE 39 7.253 13.174 -2.023 321 HA ILE 39 HA ILE 39 4.405 12.859 -2.790 322 HB ILE 39 HB ILE 39 6.777 11.286 -3.629 323 1HG1 ILE 39 2HG1 ILE 39 5.687 11.473 -5.771 324 2HG1 ILE 39 1HG1 ILE 39 4.174 11.965 -5.026 325 1HG2 ILE 39 1HG2 ILE 39 4.997 9.541 -4.394 326 2HG2 ILE 39 2HG2 ILE 39 3.986 10.232 -3.124 327 3HG2 ILE 39 3HG2 ILE 39 5.527 9.480 -2.712 328 1HD1 ILE 39 1HD1 ILE 39 5.896 13.741 -6.072 329 2HD1 ILE 39 2HD1 ILE 39 6.553 13.651 -4.442 330 3HD1 ILE 39 3HD1 ILE 39 4.874 14.123 -4.688 331 H ALA 40 H ALA 40 6.739 12.000 -0.314 332 HA ALA 40 HA ALA 40 5.021 9.826 0.721 333 1HB ALA 40 1HB ALA 40 7.402 9.677 1.240 334 2HB ALA 40 2HB ALA 40 6.500 9.906 2.732 335 3HB ALA 40 3HB ALA 40 7.358 11.263 2.008 336 H GLN 41 H GLN 41 4.971 13.145 0.719 337 HA GLN 41 HA GLN 41 3.534 13.312 3.303 338 1HB GLN 41 2HB GLN 41 4.298 15.630 1.562 339 2HB GLN 41 1HB GLN 41 4.086 15.601 3.315 340 1HG GLN 41 2HG GLN 41 6.139 14.432 3.654 341 2HG GLN 41 1HG GLN 41 6.238 13.962 1.965 342 1HE2 GLN 41 1HE2 GLN 41 7.840 15.072 0.940 343 2HE2 GLN 41 2HE2 GLN 41 8.227 16.698 1.197 344 H LYS 42 H LYS 42 3.065 13.195 -0.038 345 HA LYS 42 HA LYS 42 0.199 13.877 0.383 346 1HB LYS 42 2HB LYS 42 0.279 14.884 -1.993 347 2HB LYS 42 1HB LYS 42 0.939 15.853 -0.678 348 1HG LYS 42 2HG LYS 42 2.764 16.020 -2.024 349 2HG LYS 42 1HG LYS 42 3.143 14.412 -1.417 350 1HD LYS 42 2HD LYS 42 3.251 14.074 -3.722 351 2HD LYS 42 1HD LYS 42 1.587 13.610 -3.381 352 1HE LYS 42 2HE LYS 42 1.180 15.085 -5.101 353 2HE LYS 42 1HE LYS 42 1.198 16.238 -3.767 354 1HZ LYS 42 1HZ LYS 42 3.003 15.981 -5.952 355 2HZ LYS 42 2HZ LYS 42 3.827 15.919 -4.468 356 3HZ LYS 42 3HZ LYS 42 2.837 17.249 -4.838 357 HA PRO 43 HA PRO 43 1.227 10.103 -2.337 358 1HB PRO 43 2HB PRO 43 1.061 8.084 -0.481 359 2HB PRO 43 1HB PRO 43 2.580 8.852 -0.970 360 1HG PRO 43 2HG PRO 43 0.979 9.270 1.528 361 2HG PRO 43 1HG PRO 43 2.736 9.346 1.286 362 1HD PRO 43 2HD PRO 43 1.102 11.601 1.477 363 2HD PRO 43 1HD PRO 43 2.686 11.551 0.682 364 H GLY 44 H GLY 44 -0.539 8.639 0.303 365 1HA GLY 44 2HA GLY 44 -2.845 8.181 0.558 366 2HA GLY 44 1HA GLY 44 -3.177 9.407 -0.670 367 H ALA 45 H ALA 45 -0.842 7.465 -1.945 368 HA ALA 45 HA ALA 45 -2.751 5.460 -3.009 369 1HB ALA 45 1HB ALA 45 -2.952 6.894 -4.795 370 2HB ALA 45 2HB ALA 45 -1.486 6.048 -5.292 371 3HB ALA 45 3HB ALA 45 -1.373 7.629 -4.519 372 H LEU 46 H LEU 46 0.541 6.362 -2.189 373 HA LEU 46 HA LEU 46 2.076 4.484 -3.537 374 1HB LEU 46 2HB LEU 46 3.280 5.858 -2.060 375 2HB LEU 46 1HB LEU 46 2.193 5.532 -0.717 376 HG LEU 46 HG LEU 46 4.560 4.437 -0.722 377 1HD1 LEU 46 1HD1 LEU 46 3.452 3.543 1.019 378 2HD1 LEU 46 2HD1 LEU 46 3.127 2.173 -0.042 379 3HD1 LEU 46 3HD1 LEU 46 1.938 3.463 0.121 380 1HD2 LEU 46 1HD2 LEU 46 5.045 2.925 -2.320 381 2HD2 LEU 46 2HD2 LEU 46 3.530 3.325 -3.125 382 3HD2 LEU 46 3HD2 LEU 46 3.585 2.014 -1.948 383 H ARG 47 H ARG 47 -0.129 3.926 -0.815 384 HA ARG 47 HA ARG 47 0.517 1.241 -0.243 385 1HB ARG 47 2HB ARG 47 -2.085 2.767 -0.149 386 2HB ARG 47 1HB ARG 47 -1.998 1.069 0.325 387 1HG ARG 47 2HG ARG 47 0.195 2.369 1.567 388 2HG ARG 47 1HG ARG 47 -1.216 3.392 1.836 389 1HD ARG 47 2HD ARG 47 -0.884 0.471 2.550 390 2HD ARG 47 1HD ARG 47 -1.178 1.823 3.643 391 HE ARG 47 HE ARG 47 -3.204 0.697 1.761 392 1HH1 ARG 47 2HH1 ARG 47 -2.751 3.538 3.380 393 2HH1 ARG 47 1HH1 ARG 47 -4.139 3.409 4.408 394 1HH2 ARG 47 1HH2 ARG 47 -4.792 0.111 3.557 395 2HH2 ARG 47 2HH2 ARG 47 -5.294 1.468 4.509 396 H ILE 48 H ILE 48 -1.826 2.454 -2.682 397 HA ILE 48 HA ILE 48 -2.639 -0.069 -3.685 398 HB ILE 48 HB ILE 48 -2.270 2.568 -5.145 399 1HG1 ILE 48 2HG1 ILE 48 -4.990 1.808 -4.759 400 2HG1 ILE 48 1HG1 ILE 48 -4.165 1.622 -3.210 401 1HG2 ILE 48 1HG2 ILE 48 -4.295 0.895 -6.284 402 2HG2 ILE 48 2HG2 ILE 48 -2.800 -0.035 -6.186 403 3HG2 ILE 48 3HG2 ILE 48 -2.826 1.505 -7.045 404 1HD1 ILE 48 1HD1 ILE 48 -3.972 3.855 -2.943 405 2HD1 ILE 48 2HD1 ILE 48 -5.091 4.020 -4.297 406 3HD1 ILE 48 3HD1 ILE 48 -3.350 4.063 -4.580 407 H LEU 49 H LEU 49 -0.087 2.041 -5.087 408 HA LEU 49 HA LEU 49 0.922 -0.183 -6.685 409 1HB LEU 49 2HB LEU 49 2.441 2.368 -6.073 410 2HB LEU 49 1HB LEU 49 2.618 1.310 -7.465 411 HG LEU 49 HG LEU 49 1.379 3.030 -8.394 412 1HD1 LEU 49 1HD1 LEU 49 -0.937 1.500 -7.224 413 2HD1 LEU 49 2HD1 LEU 49 0.140 0.769 -8.415 414 3HD1 LEU 49 3HD1 LEU 49 -0.785 2.211 -8.831 415 1HD2 LEU 49 1HD2 LEU 49 0.512 4.644 -7.094 416 2HD2 LEU 49 2HD2 LEU 49 0.824 3.640 -5.678 417 3HD2 LEU 49 3HD2 LEU 49 -0.729 3.538 -6.508 418 H ASN 50 H ASN 50 1.055 0.461 -3.448 419 HA ASN 50 HA ASN 50 3.827 -0.056 -2.844 420 1HB ASN 50 2HB ASN 50 2.301 0.936 -1.156 421 2HB ASN 50 1HB ASN 50 1.389 -0.570 -1.108 422 1HD2 ASN 50 1HD2 ASN 50 4.937 -0.382 -1.403 423 2HD2 ASN 50 2HD2 ASN 50 5.264 -1.094 0.101 424 H HIS 51 H HIS 51 1.002 -2.067 -3.376 425 HA HIS 51 HA HIS 51 1.764 -4.541 -2.396 426 1HB HIS 51 2HB HIS 51 -0.314 -4.196 -3.659 427 2HB HIS 51 1HB HIS 51 0.602 -3.901 -5.135 428 HD1 HIS 51 HD1 HIS 51 0.443 -6.691 -2.517 429 HD2 HIS 51 HD2 HIS 51 0.776 -6.195 -6.640 430 HE1 HIS 51 HE1 HIS 51 0.488 -9.015 -3.518 431 H SER 52 H SER 52 3.220 -2.696 -5.004 432 HA SER 52 HA SER 52 5.317 -4.793 -5.196 433 1HB SER 52 2HB SER 52 4.619 -3.081 -7.541 434 2HB SER 52 1HB SER 52 5.247 -4.729 -7.504 435 HG SER 52 HG SER 52 2.765 -3.975 -7.782 436 H LEU 53 H LEU 53 4.594 -1.606 -4.364 437 HA LEU 53 HA LEU 53 7.138 -0.492 -5.335 438 1HB LEU 53 2HB LEU 53 4.663 0.667 -4.469 439 2HB LEU 53 1HB LEU 53 5.947 1.269 -3.429 440 HG LEU 53 HG LEU 53 7.160 2.180 -5.241 441 1HD1 LEU 53 1HD1 LEU 53 5.513 0.282 -6.886 442 2HD1 LEU 53 2HD1 LEU 53 7.262 0.437 -6.811 443 3HD1 LEU 53 3HD1 LEU 53 6.306 1.659 -7.633 444 1HD2 LEU 53 1HD2 LEU 53 4.198 2.515 -5.497 445 2HD2 LEU 53 2HD2 LEU 53 5.231 3.207 -6.748 446 3HD2 LEU 53 3HD2 LEU 53 5.425 3.707 -5.068 447 H ARG 54 H ARG 54 5.953 -2.101 -2.583 448 HA ARG 54 HA ARG 54 7.633 -1.113 -0.542 449 1HB ARG 54 2HB ARG 54 5.950 -2.901 -0.169 450 2HB ARG 54 1HB ARG 54 6.919 -4.012 -1.138 451 1HG ARG 54 2HG ARG 54 7.506 -4.493 1.119 452 2HG ARG 54 1HG ARG 54 8.838 -3.517 0.498 453 1HD ARG 54 2HD ARG 54 8.480 -2.007 2.124 454 2HD ARG 54 1HD ARG 54 6.857 -1.727 1.494 455 HE ARG 54 HE ARG 54 7.366 -3.971 3.397 456 1HH1 ARG 54 2HH1 ARG 54 4.745 -4.212 3.278 457 2HH1 ARG 54 1HH1 ARG 54 4.001 -2.910 4.145 458 1HH2 ARG 54 2HH2 ARG 54 5.191 -1.053 4.636 459 2HH2 ARG 54 1HH2 ARG 54 6.848 -0.931 4.145 460 H LEU 55 H LEU 55 8.331 -2.792 -3.487 461 HA LEU 55 HA LEU 55 10.893 -3.899 -2.909 462 1HB LEU 55 2HB LEU 55 9.217 -3.491 -5.213 463 2HB LEU 55 1HB LEU 55 10.868 -3.005 -5.600 464 HG LEU 55 HG LEU 55 10.342 -5.469 -5.976 465 1HD1 LEU 55 1HD1 LEU 55 12.459 -5.882 -4.175 466 2HD1 LEU 55 2HD1 LEU 55 12.601 -4.195 -4.672 467 3HD1 LEU 55 3HD1 LEU 55 12.595 -5.475 -5.887 468 1HD2 LEU 55 1HD2 LEU 55 9.062 -5.441 -3.666 469 2HD2 LEU 55 2HD2 LEU 55 10.664 -5.765 -3.004 470 3HD2 LEU 55 3HD2 LEU 55 9.944 -6.885 -4.162 471 H ALA 56 H ALA 56 9.922 -0.694 -4.082 472 HA ALA 56 HA ALA 56 12.046 0.666 -4.906 473 1HB ALA 56 1HB ALA 56 9.887 1.666 -3.998 474 2HB ALA 56 2HB ALA 56 11.344 2.621 -3.720 475 3HB ALA 56 3HB ALA 56 10.657 1.661 -2.411 476 H ALA 57 H ALA 57 11.754 -0.408 -1.527 477 HA ALA 57 HA ALA 57 14.606 0.335 -1.089 478 1HB ALA 57 1HB ALA 57 13.779 1.041 0.895 479 2HB ALA 57 2HB ALA 57 13.555 -0.659 1.309 480 3HB ALA 57 3HB ALA 57 12.228 0.257 0.595 481 H MET 58 H MET 58 12.352 -2.361 -1.181 482 HA MET 58 HA MET 58 13.985 -4.396 -0.068 483 1HB MET 58 2HB MET 58 11.482 -4.279 -1.205 484 2HB MET 58 1HB MET 58 12.385 -5.215 -2.396 485 1HG MET 58 2HG MET 58 13.268 -6.414 -0.152 486 2HG MET 58 1HG MET 58 11.681 -5.898 0.415 487 1HE MET 58 1HE MET 58 9.391 -6.378 -1.519 488 2HE MET 58 2HE MET 58 9.760 -6.831 0.143 489 3HE MET 58 3HE MET 58 9.202 -8.056 -0.993 490 H THR 59 H THR 59 16.156 -4.116 -0.816 491 HA THR 59 HA THR 59 16.601 -4.449 -3.738 492 HB THR 59 HB THR 59 17.831 -2.639 -2.517 493 HG1 THR 59 HG1 THR 59 19.983 -3.518 -3.196 494 1HG2 THR 59 1HG2 THR 59 18.012 -4.180 -0.423 495 2HG2 THR 59 2HG2 THR 59 19.361 -3.108 -0.800 496 3HG2 THR 59 3HG2 THR 59 19.449 -4.819 -1.218 497 H ALA 60 H ALA 60 15.821 -6.524 -1.558 498 HA ALA 60 HA ALA 60 18.032 -8.447 -2.155 499 1HB ALA 60 1HB ALA 60 16.758 -9.625 -0.088 500 2HB ALA 60 2HB ALA 60 16.404 -7.938 0.282 501 3HB ALA 60 3HB ALA 60 18.077 -8.478 0.140 502 H HIS 61 H HIS 61 15.019 -7.646 -3.147 503 HA HIS 61 HA HIS 61 13.502 -10.025 -3.091 504 1HB HIS 61 2HB HIS 61 12.787 -7.711 -3.939 505 2HB HIS 61 1HB HIS 61 13.581 -8.140 -5.455 506 HD1 HIS 61 HD1 HIS 61 12.176 -11.090 -3.862 507 HD2 HIS 61 HD2 HIS 61 10.724 -8.121 -6.409 508 HE1 HIS 61 HE1 HIS 61 10.028 -11.985 -4.858 509 H GLY 62 H GLY 62 14.975 -11.758 -3.397 510 1HA GLY 62 2HA GLY 62 16.571 -11.981 -5.821 511 2HA GLY 62 1HA GLY 62 16.323 -13.256 -4.628 512 H LYS 63 H LYS 63 14.767 -11.605 -7.363 513 HA LYS 63 HA LYS 63 13.839 -14.004 -8.564 514 1HB LYS 63 2HB LYS 63 12.392 -13.850 -6.403 515 2HB LYS 63 1HB LYS 63 11.546 -12.554 -7.250 516 1HG LYS 63 2HG LYS 63 11.024 -14.053 -9.104 517 2HG LYS 63 1HG LYS 63 11.963 -15.348 -8.357 518 1HD LYS 63 2HD LYS 63 10.315 -14.782 -6.305 519 2HD LYS 63 1HD LYS 63 9.267 -14.307 -7.643 520 1HE LYS 63 2HE LYS 63 9.702 -16.530 -8.707 521 2HE LYS 63 1HE LYS 63 10.614 -16.998 -7.272 522 1HZ LYS 63 1HZ LYS 63 7.820 -16.033 -7.125 523 2HZ LYS 63 2HZ LYS 63 8.710 -16.863 -5.940 524 3HZ LYS 63 3HZ LYS 63 8.198 -17.672 -7.344 525 H GLY 64 H GLY 64 13.174 -10.570 -7.981 526 1HA GLY 64 2HA GLY 64 13.094 -10.159 -10.908 527 2HA GLY 64 1HA GLY 64 11.655 -9.681 -10.007 528 H GLU 65 H GLU 65 15.028 -8.941 -10.609 529 HA GLU 65 HA GLU 65 14.629 -6.163 -9.927 530 1HB GLU 65 2HB GLU 65 16.258 -6.100 -8.030 531 2HB GLU 65 1HB GLU 65 14.783 -6.983 -7.636 532 1HG GLU 65 2HG GLU 65 16.129 -8.690 -7.019 533 2HG GLU 65 1HG GLU 65 16.429 -8.933 -8.741 534 H ARG 66 H ARG 66 15.829 -5.291 -11.550 535 HA ARG 66 HA ARG 66 18.146 -6.716 -12.625 536 1HB ARG 66 2HB ARG 66 16.632 -4.230 -13.324 537 2HB ARG 66 1HB ARG 66 18.277 -4.406 -13.936 538 1HG ARG 66 2HG ARG 66 16.746 -6.867 -14.235 539 2HG ARG 66 1HG ARG 66 15.985 -5.512 -15.070 540 1HD ARG 66 2HD ARG 66 18.932 -6.139 -15.340 541 2HD ARG 66 1HD ARG 66 17.715 -6.814 -16.423 542 HE ARG 66 HE ARG 66 17.572 -3.905 -16.188 543 1HH1 ARG 66 2HH1 ARG 66 20.223 -5.499 -17.187 544 2HH1 ARG 66 1HH1 ARG 66 20.089 -5.132 -18.874 545 1HH2 ARG 66 1HH2 ARG 66 16.856 -3.899 -18.621 546 2HH2 ARG 66 2HH2 ARG 66 18.183 -4.226 -19.685 547 H VAL 67 H VAL 67 18.635 -3.305 -12.520 548 HA VAL 67 HA VAL 67 19.939 -2.957 -10.038 549 HB VAL 67 HB VAL 67 21.411 -4.806 -10.914 550 1HG1 VAL 67 1HG1 VAL 67 22.599 -2.823 -12.816 551 2HG1 VAL 67 2HG1 VAL 67 21.164 -3.714 -13.322 552 3HG1 VAL 67 3HG1 VAL 67 22.630 -4.585 -12.874 553 1HG2 VAL 67 1HG2 VAL 67 22.397 -2.050 -10.257 554 2HG2 VAL 67 2HG2 VAL 67 23.572 -3.284 -10.712 555 3HG2 VAL 67 3HG2 VAL 67 22.525 -3.537 -9.316 556 H ASN 68 H ASN 68 18.404 -1.337 -11.700 557 HA ASN 68 HA ASN 68 20.007 1.038 -11.859 558 1HB ASN 68 2HB ASN 68 20.417 -0.600 -14.035 559 2HB ASN 68 1HB ASN 68 19.116 0.445 -14.607 560 1HD2 ASN 68 1HD2 ASN 68 21.373 0.915 -15.966 561 2HD2 ASN 68 2HD2 ASN 68 22.196 2.292 -15.412 562 H GLU 69 H GLU 69 18.585 2.628 -13.527 563 HA GLU 69 HA GLU 69 16.214 3.255 -12.229 564 1HB GLU 69 2HB GLU 69 15.448 4.228 -14.450 565 2HB GLU 69 1HB GLU 69 17.051 4.749 -13.929 566 1HG GLU 69 2HG GLU 69 17.645 2.465 -15.326 567 2HG GLU 69 1HG GLU 69 16.276 3.093 -16.242 568 H ASP 70 H ASP 70 16.766 0.728 -14.612 569 HA ASP 70 HA ASP 70 13.975 0.110 -15.030 570 1HB ASP 70 2HB ASP 70 16.144 -1.958 -15.221 571 2HB ASP 70 1HB ASP 70 14.713 -1.752 -16.231 572 H TYR 71 H TYR 71 16.525 -1.322 -12.970 573 HA TYR 71 HA TYR 71 15.503 -3.390 -11.624 574 1HB TYR 71 2HB TYR 71 17.409 -2.447 -10.610 575 2HB TYR 71 1HB TYR 71 16.653 -0.862 -10.456 576 HD1 TYR 71 HD1 TYR 71 16.247 -0.258 -8.282 577 HD2 TYR 71 HD2 TYR 71 15.725 -4.364 -9.426 578 HE1 TYR 71 HE1 TYR 71 15.478 -0.794 -5.983 579 HE2 TYR 71 HE2 TYR 71 14.960 -4.905 -7.121 580 HH TYR 71 HH TYR 71 14.207 -2.452 -4.816 581 H LEU 72 H LEU 72 14.389 -0.092 -11.017 582 HA LEU 72 HA LEU 72 12.482 -0.669 -9.069 583 1HB LEU 72 2HB LEU 72 12.145 1.396 -11.229 584 2HB LEU 72 1HB LEU 72 11.505 1.434 -9.587 585 HG LEU 72 HG LEU 72 14.373 1.706 -10.469 586 1HD1 LEU 72 1HD1 LEU 72 13.115 3.757 -10.395 587 2HD1 LEU 72 2HD1 LEU 72 14.130 3.709 -8.955 588 3HD1 LEU 72 3HD1 LEU 72 12.416 3.330 -8.834 589 1HD2 LEU 72 1HD2 LEU 72 14.011 0.082 -8.489 590 2HD2 LEU 72 2HD2 LEU 72 13.454 1.500 -7.613 591 3HD2 LEU 72 3HD2 LEU 72 15.093 1.442 -8.230 592 H ARG 73 H ARG 73 11.792 -0.198 -12.529 593 HA ARG 73 HA ARG 73 9.109 -1.180 -12.287 594 1HB ARG 73 2HB ARG 73 11.017 -1.024 -14.629 595 2HB ARG 73 1HB ARG 73 9.393 -1.692 -14.800 596 1HG ARG 73 2HG ARG 73 8.447 0.416 -13.890 597 2HG ARG 73 1HG ARG 73 10.075 1.086 -13.792 598 1HD ARG 73 2HD ARG 73 8.394 0.528 -16.200 599 2HD ARG 73 1HD ARG 73 9.452 1.899 -15.865 600 HE ARG 73 HE ARG 73 11.331 0.580 -16.604 601 1HH1 ARG 73 2HH1 ARG 73 11.830 -1.871 -16.462 602 2HH1 ARG 73 1HH1 ARG 73 10.852 -2.814 -17.538 603 1HH2 ARG 73 2HH2 ARG 73 8.988 -1.914 -18.451 604 2HH2 ARG 73 1HH2 ARG 73 8.541 -0.284 -18.075 605 H GLN 74 H GLN 74 12.062 -2.841 -13.370 606 HA GLN 74 HA GLN 74 11.038 -5.428 -13.662 607 1HB GLN 74 2HB GLN 74 13.478 -4.492 -14.026 608 2HB GLN 74 1HB GLN 74 13.709 -4.971 -12.351 609 1HG GLN 74 2HG GLN 74 14.389 -6.850 -13.665 610 2HG GLN 74 1HG GLN 74 12.814 -7.261 -12.985 611 1HE2 GLN 74 1HE2 GLN 74 13.519 -5.110 -15.779 612 2HE2 GLN 74 2HE2 GLN 74 12.641 -6.030 -16.902 613 H ALA 75 H ALA 75 11.457 -3.527 -10.883 614 HA ALA 75 HA ALA 75 11.495 -5.730 -8.985 615 1HB ALA 75 1HB ALA 75 10.822 -3.345 -7.662 616 2HB ALA 75 2HB ALA 75 11.854 -2.833 -8.994 617 3HB ALA 75 3HB ALA 75 12.445 -4.015 -7.829 618 H PHE 76 H PHE 76 9.294 -3.006 -9.533 619 HA PHE 76 HA PHE 76 7.045 -4.562 -8.430 620 1HB PHE 76 2HB PHE 76 6.251 -2.555 -7.689 621 2HB PHE 76 1HB PHE 76 7.896 -2.017 -7.951 622 HD1 PHE 76 HD1 PHE 76 4.868 -0.765 -8.231 623 HD2 PHE 76 HD2 PHE 76 8.065 -1.827 -10.884 624 HE1 PHE 76 HE1 PHE 76 4.028 0.872 -9.873 625 HE2 PHE 76 HE2 PHE 76 7.226 -0.190 -12.536 626 HZ PHE 76 HZ PHE 76 5.208 1.154 -12.048 627 H ARG 77 H ARG 77 8.131 -5.001 -11.206 628 HA ARG 77 HA ARG 77 5.530 -4.745 -12.592 629 1HB ARG 77 2HB ARG 77 7.920 -3.142 -13.249 630 2HB ARG 77 1HB ARG 77 7.215 -3.964 -14.623 631 1HG ARG 77 2HG ARG 77 5.651 -2.260 -12.669 632 2HG ARG 77 1HG ARG 77 6.254 -1.687 -14.225 633 1HD ARG 77 2HD ARG 77 4.240 -2.392 -15.008 634 2HD ARG 77 1HD ARG 77 4.983 -3.990 -14.968 635 HE ARG 77 HE ARG 77 3.968 -3.683 -12.414 636 1HH1 ARG 77 2HH1 ARG 77 1.793 -2.016 -13.109 637 2HH1 ARG 77 1HH1 ARG 77 0.599 -3.074 -13.784 638 1HH2 ARG 77 2HH2 ARG 77 1.192 -5.135 -14.502 639 2HH2 ARG 77 1HH2 ARG 77 2.840 -5.654 -14.377 640 H GLU 78 H GLU 78 8.859 -5.942 -12.615 641 HA GLU 78 HA GLU 78 8.687 -7.716 -14.802 642 1HB GLU 78 2HB GLU 78 10.690 -8.562 -14.031 643 2HB GLU 78 1HB GLU 78 10.637 -7.094 -13.076 644 1HG GLU 78 2HG GLU 78 11.024 -8.593 -11.372 645 2HG GLU 78 1HG GLU 78 9.264 -8.699 -11.416 646 H LEU 79 H LEU 79 7.058 -7.812 -11.777 647 HA LEU 79 HA LEU 79 6.441 -10.702 -12.095 648 1HB LEU 79 2HB LEU 79 5.775 -8.827 -9.812 649 2HB LEU 79 1HB LEU 79 5.572 -10.579 -9.818 650 HG LEU 79 HG LEU 79 8.211 -10.281 -10.569 651 1HD1 LEU 79 1HD1 LEU 79 7.569 -7.784 -9.670 652 2HD1 LEU 79 2HD1 LEU 79 9.188 -8.477 -9.572 653 3HD1 LEU 79 3HD1 LEU 79 8.114 -8.546 -8.175 654 1HD2 LEU 79 1HD2 LEU 79 8.627 -10.866 -8.093 655 2HD2 LEU 79 2HD2 LEU 79 7.566 -11.946 -8.999 656 3HD2 LEU 79 3HD2 LEU 79 6.878 -10.753 -7.897 657 H ASP 80 H ASP 80 4.405 -7.999 -10.883 658 HA ASP 80 HA ASP 80 2.596 -7.903 -13.051 659 1HB ASP 80 2HB ASP 80 0.752 -9.331 -11.887 660 2HB ASP 80 1HB ASP 80 1.986 -10.150 -12.854 661 H LEU 81 H LEU 81 2.635 -8.069 -9.495 662 HA LEU 81 HA LEU 81 1.959 -6.424 -7.979 663 1HB LEU 81 2HB LEU 81 0.573 -4.937 -10.196 664 2HB LEU 81 1HB LEU 81 1.196 -4.329 -8.674 665 HG LEU 81 HG LEU 81 2.658 -4.914 -11.211 666 1HD1 LEU 81 1HD1 LEU 81 2.014 -2.672 -9.637 667 2HD1 LEU 81 2HD1 LEU 81 3.078 -2.712 -11.044 668 3HD1 LEU 81 3HD1 LEU 81 3.748 -2.914 -9.425 669 1HD2 LEU 81 1HD2 LEU 81 4.317 -6.053 -10.177 670 2HD2 LEU 81 2HD2 LEU 81 3.582 -5.827 -8.602 671 3HD2 LEU 81 3HD2 LEU 81 4.646 -4.595 -9.254 672 H ASP 82 H ASP 82 0.667 -8.698 -8.066 673 HA ASP 82 HA ASP 82 -2.051 -7.969 -7.437 674 1HB ASP 82 2HB ASP 82 -3.244 -9.103 -9.133 675 2HB ASP 82 1HB ASP 82 -1.987 -8.219 -10.000 676 H VAL 83 H VAL 83 0.328 -10.488 -7.939 677 HA VAL 83 HA VAL 83 -0.640 -11.826 -5.503 678 HB VAL 83 HB VAL 83 -0.622 -14.069 -6.784 679 1HG1 VAL 83 1HG1 VAL 83 -2.899 -13.947 -6.794 680 2HG1 VAL 83 2HG1 VAL 83 -2.915 -12.502 -7.804 681 3HG1 VAL 83 3HG1 VAL 83 -2.628 -12.361 -6.070 682 1HG2 VAL 83 1HG2 VAL 83 -1.589 -12.864 -9.216 683 2HG2 VAL 83 2HG2 VAL 83 -0.270 -14.015 -9.008 684 3HG2 VAL 83 3HG2 VAL 83 0.043 -12.284 -8.886 685 H ASP 84 H ASP 84 1.688 -11.752 -8.172 686 HA ASP 84 HA ASP 84 3.608 -13.526 -7.001 687 1HB ASP 84 2HB ASP 84 3.811 -11.288 -9.010 688 2HB ASP 84 1HB ASP 84 5.238 -12.167 -8.467 689 H ILE 85 H ILE 85 3.032 -10.068 -6.643 690 HA ILE 85 HA ILE 85 5.407 -9.795 -4.898 691 HB ILE 85 HB ILE 85 3.868 -7.429 -4.756 692 1HG1 ILE 85 2HG1 ILE 85 2.607 -8.299 -6.741 693 2HG1 ILE 85 1HG1 ILE 85 3.511 -6.832 -7.086 694 1HG2 ILE 85 1HG2 ILE 85 5.770 -6.501 -6.038 695 2HG2 ILE 85 2HG2 ILE 85 6.290 -8.140 -6.432 696 3HG2 ILE 85 3HG2 ILE 85 6.311 -7.586 -4.757 697 1HD1 ILE 85 1HD1 ILE 85 5.274 -9.003 -7.563 698 2HD1 ILE 85 2HD1 ILE 85 4.579 -7.896 -8.747 699 3HD1 ILE 85 3HD1 ILE 85 3.744 -9.397 -8.348 700 H SER 86 H SER 86 2.345 -10.930 -4.504 701 HA SER 86 HA SER 86 1.632 -9.601 -2.016 702 1HB SER 86 2HB SER 86 0.052 -10.838 -3.631 703 2HB SER 86 1HB SER 86 0.668 -12.327 -2.917 704 HG SER 86 HG SER 86 -0.149 -10.284 -1.199 705 H THR 87 H THR 87 1.025 -12.388 -0.796 706 HA THR 87 HA THR 87 3.727 -12.711 0.435 707 HB THR 87 HB THR 87 2.579 -13.775 2.289 708 HG1 THR 87 HG1 THR 87 0.919 -14.903 1.673 709 1HG2 THR 87 1HG2 THR 87 1.727 -11.851 3.144 710 2HG2 THR 87 2HG2 THR 87 0.574 -11.666 1.822 711 3HG2 THR 87 3HG2 THR 87 2.245 -11.144 1.613 712 H LEU 88 H LEU 88 1.238 -14.181 -1.407 713 HA LEU 88 HA LEU 88 2.005 -16.921 -1.258 714 1HB LEU 88 2HB LEU 88 0.384 -15.171 -3.059 715 2HB LEU 88 1HB LEU 88 0.812 -16.769 -3.632 716 HG LEU 88 HG LEU 88 -0.505 -17.841 -2.061 717 1HD1 LEU 88 1HD1 LEU 88 0.534 -17.122 -0.036 718 2HD1 LEU 88 2HD1 LEU 88 -1.160 -16.659 0.126 719 3HD1 LEU 88 3HD1 LEU 88 0.049 -15.446 -0.295 720 1HD2 LEU 88 1HD2 LEU 88 -1.667 -15.646 -3.284 721 2HD2 LEU 88 2HD2 LEU 88 -2.117 -15.438 -1.592 722 3HD2 LEU 88 3HD2 LEU 88 -2.540 -16.924 -2.441 723 H LEU 89 H LEU 89 4.186 -17.355 -1.686 724 HA LEU 89 HA LEU 89 5.071 -16.919 -4.462 725 1HB LEU 89 2HB LEU 89 7.099 -15.782 -3.895 726 2HB LEU 89 1HB LEU 89 5.811 -14.919 -3.056 727 HG LEU 89 HG LEU 89 6.601 -16.985 -1.308 728 1HD1 LEU 89 1HD1 LEU 89 8.975 -16.792 -1.120 729 2HD1 LEU 89 2HD1 LEU 89 9.025 -15.443 -2.254 730 3HD1 LEU 89 3HD1 LEU 89 8.654 -17.067 -2.832 731 1HD2 LEU 89 1HD2 LEU 89 6.836 -14.002 -1.463 732 2HD2 LEU 89 2HD2 LEU 89 7.717 -14.840 -0.184 733 3HD2 LEU 89 3HD2 LEU 89 5.963 -14.996 -0.296 734 H ARG 90 H ARG 90 7.643 -17.784 -4.277 735 HA ARG 90 HA ARG 90 8.812 -19.823 -4.253 736 1HB ARG 90 2HB ARG 90 9.219 -19.082 -1.958 737 2HB ARG 90 1HB ARG 90 7.686 -19.782 -1.434 738 1HG ARG 90 2HG ARG 90 9.113 -21.518 -0.882 739 2HG ARG 90 1HG ARG 90 8.724 -21.974 -2.542 740 1HD ARG 90 2HD ARG 90 10.763 -20.524 -3.206 741 2HD ARG 90 1HD ARG 90 11.211 -20.619 -1.502 742 HE ARG 90 HE ARG 90 10.680 -23.259 -2.422 743 1HH1 ARG 90 2HH1 ARG 90 13.129 -21.074 -1.736 744 2HH1 ARG 90 1HH1 ARG 90 14.357 -21.894 -2.641 745 1HH2 ARG 90 1HH2 ARG 90 12.159 -24.150 -4.090 746 2HH2 ARG 90 2HH2 ARG 90 13.808 -23.635 -3.974 747 H ASN 91 HN ASN 91 6.623 -21.220 -1.921 748 HA ASN 91 HA ASN 91 5.931 -23.321 -3.836 749 1HB ASN 91 2HB ASN 91 4.756 -24.348 -1.942 750 2HB ASN 91 1HB ASN 91 6.366 -23.827 -1.441 751 1HD2 ASN 91 1HD2 ASN 91 4.496 -24.118 0.582 752 2HD2 ASN 91 2HD2 ASN 91 3.989 -22.599 1.145 Start of MODEL 16 1 1H GLY 1 1H GLY 1 -15.128 16.917 -15.279 2 2H GLY 1 2H GLY 1 -13.778 16.336 -16.130 3 3H GLY 1 3H GLY 1 -14.117 18.000 -16.107 4 1HA GLY 1 1HA GLY 1 -12.357 17.463 -14.528 5 2HA GLY 1 2HA GLY 1 -13.776 18.117 -13.653 6 H SER 2 H SER 2 -13.370 16.616 -11.859 7 HA SER 2 HA SER 2 -12.583 13.846 -12.207 8 1HB SER 2 2HB SER 2 -10.555 15.649 -10.861 9 2HB SER 2 1HB SER 2 -10.395 13.928 -11.200 10 HG SER 2 HG SER 2 -9.467 14.676 -12.951 11 H ARG 3 H ARG 3 -14.747 15.101 -10.915 12 HA ARG 3 HA ARG 3 -14.121 15.064 -8.022 13 1HB ARG 3 2HB ARG 3 -16.444 15.812 -7.736 14 2HB ARG 3 1HB ARG 3 -15.622 16.823 -8.925 15 1HG ARG 3 2HG ARG 3 -16.688 15.715 -10.751 16 2HG ARG 3 1HG ARG 3 -17.261 14.406 -9.715 17 1HD ARG 3 2HD ARG 3 -18.938 15.711 -8.762 18 2HD ARG 3 1HD ARG 3 -18.093 17.222 -9.099 19 HE ARG 3 HE ARG 3 -19.433 15.602 -11.230 20 1HH1 ARG 3 2HH1 ARG 3 -21.327 17.239 -11.467 21 2HH1 ARG 3 1HH1 ARG 3 -20.785 18.819 -11.922 22 1HH2 ARG 3 2HH2 ARG 3 -18.604 19.372 -11.705 23 2HH2 ARG 3 1HH2 ARG 3 -17.476 18.215 -11.082 24 H ILE 4 H ILE 4 -13.854 12.585 -9.477 25 HA ILE 4 HA ILE 4 -16.109 10.884 -9.303 26 HB ILE 4 HB ILE 4 -14.575 9.070 -9.470 27 1HG1 ILE 4 2HG1 ILE 4 -13.235 9.576 -7.473 28 2HG1 ILE 4 1HG1 ILE 4 -12.179 9.314 -8.859 29 1HG2 ILE 4 1HG2 ILE 4 -12.761 11.119 -10.628 30 2HG2 ILE 4 2HG2 ILE 4 -14.437 11.168 -11.174 31 3HG2 ILE 4 3HG2 ILE 4 -13.484 9.700 -11.384 32 1HD1 ILE 4 1HD1 ILE 4 -11.369 11.273 -7.728 33 2HD1 ILE 4 2HD1 ILE 4 -12.988 11.965 -7.645 34 3HD1 ILE 4 3HD1 ILE 4 -12.168 11.824 -9.201 35 H ALA 5 H ALA 5 -16.127 8.967 -7.624 36 HA ALA 5 HA ALA 5 -16.420 10.200 -4.984 37 1HB ALA 5 1HB ALA 5 -17.367 8.060 -4.318 38 2HB ALA 5 2HB ALA 5 -16.754 7.292 -5.783 39 3HB ALA 5 3HB ALA 5 -18.033 8.503 -5.889 40 H LYS 6 H LYS 6 -14.206 7.967 -6.578 41 HA LYS 6 HA LYS 6 -12.826 7.151 -4.176 42 1HB LYS 6 2HB LYS 6 -12.305 6.986 -7.121 43 2HB LYS 6 1HB LYS 6 -10.956 6.718 -6.017 44 1HG LYS 6 2HG LYS 6 -11.810 4.559 -6.209 45 2HG LYS 6 1HG LYS 6 -12.662 5.139 -4.777 46 1HD LYS 6 2HD LYS 6 -14.434 5.982 -6.544 47 2HD LYS 6 1HD LYS 6 -13.696 4.747 -7.566 48 1HE LYS 6 2HE LYS 6 -14.595 3.045 -6.363 49 2HE LYS 6 1HE LYS 6 -14.263 3.839 -4.823 50 1HZ LYS 6 1HZ LYS 6 -16.199 5.367 -6.037 51 2HZ LYS 6 2HZ LYS 6 -16.415 4.301 -4.733 52 3HZ LYS 6 3HZ LYS 6 -16.677 3.765 -6.324 53 H ARG 7 H ARG 7 -11.952 8.769 -2.920 54 HA ARG 7 HA ARG 7 -11.091 11.298 -3.679 55 1HB ARG 7 2HB ARG 7 -9.533 9.712 -1.646 56 2HB ARG 7 1HB ARG 7 -9.977 11.412 -1.623 57 1HG ARG 7 2HG ARG 7 -12.423 10.579 -1.528 58 2HG ARG 7 1HG ARG 7 -11.724 9.025 -1.070 59 1HD ARG 7 2HD ARG 7 -10.959 11.574 0.356 60 2HD ARG 7 1HD ARG 7 -12.373 10.638 0.840 61 HE ARG 7 HE ARG 7 -9.574 9.588 0.893 62 1HH1 ARG 7 2HH1 ARG 7 -11.703 10.480 3.126 63 2HH1 ARG 7 1HH1 ARG 7 -12.003 8.921 3.819 64 1HH2 ARG 7 1HH2 ARG 7 -10.450 7.186 1.251 65 2HH2 ARG 7 2HH2 ARG 7 -11.294 7.058 2.759 66 H THR 8 H THR 8 -8.764 8.666 -3.022 67 HA THR 8 HA THR 8 -6.629 8.298 -3.917 68 HB THR 8 HB THR 8 -6.573 8.385 -6.439 69 HG1 THR 8 HG1 THR 8 -9.248 8.696 -6.679 70 1HG2 THR 8 1HG2 THR 8 -7.606 6.355 -6.502 71 2HG2 THR 8 2HG2 THR 8 -9.104 6.987 -5.820 72 3HG2 THR 8 3HG2 THR 8 -7.751 6.589 -4.761 73 H ALA 9 H ALA 9 -5.201 9.809 -3.177 74 HA ALA 9 HA ALA 9 -5.236 12.536 -4.349 75 1HB ALA 9 1HB ALA 9 -3.671 13.115 -2.572 76 2HB ALA 9 2HB ALA 9 -3.510 11.416 -2.122 77 3HB ALA 9 3HB ALA 9 -5.043 12.253 -1.874 78 H ILE 10 H ILE 10 -2.530 13.164 -4.143 79 HA ILE 10 HA ILE 10 -1.485 12.350 -6.612 80 HB ILE 10 HB ILE 10 0.098 13.136 -4.152 81 1HG1 ILE 10 2HG1 ILE 10 -1.779 14.697 -4.828 82 2HG1 ILE 10 1HG1 ILE 10 -0.174 15.411 -4.902 83 1HG2 ILE 10 1HG2 ILE 10 1.241 14.127 -6.531 84 2HG2 ILE 10 2HG2 ILE 10 0.827 12.447 -6.870 85 3HG2 ILE 10 3HG2 ILE 10 1.876 12.839 -5.507 86 1HD1 ILE 10 1HD1 ILE 10 -0.149 14.714 -7.373 87 2HD1 ILE 10 2HD1 ILE 10 -1.227 16.040 -6.941 88 3HD1 ILE 10 3HD1 ILE 10 -1.878 14.421 -7.190 89 H ASN 11 H ASN 11 0.802 11.461 -4.167 90 HA ASN 11 HA ASN 11 1.912 9.420 -3.832 91 1HB ASN 11 2HB ASN 11 -0.017 8.803 -2.563 92 2HB ASN 11 1HB ASN 11 -0.993 8.584 -4.012 93 1HD2 ASN 11 1HD2 ASN 11 2.354 7.412 -3.705 94 2HD2 ASN 11 2HD2 ASN 11 1.956 5.762 -3.741 95 H LYS 12 H LYS 12 3.125 9.307 -5.793 96 HA LYS 12 HA LYS 12 3.629 8.623 -8.003 97 1HB LYS 12 2HB LYS 12 2.328 6.305 -6.602 98 2HB LYS 12 1HB LYS 12 2.713 6.152 -8.317 99 1HG LYS 12 2HG LYS 12 4.547 5.369 -6.767 100 2HG LYS 12 1HG LYS 12 5.045 6.615 -7.911 101 1HD LYS 12 2HD LYS 12 5.066 8.295 -6.264 102 2HD LYS 12 1HD LYS 12 4.044 7.363 -5.170 103 1HE LYS 12 2HE LYS 12 6.590 6.055 -5.902 104 2HE LYS 12 1HE LYS 12 6.760 7.526 -4.945 105 1HZ LYS 12 1HZ LYS 12 4.735 6.270 -3.704 106 2HZ LYS 12 2HZ LYS 12 6.363 6.177 -3.227 107 3HZ LYS 12 3HZ LYS 12 5.687 4.955 -4.196 108 H THR 13 H THR 13 1.722 10.365 -8.396 109 HA THR 13 HA THR 13 -0.857 9.887 -9.123 110 HB THR 13 HB THR 13 0.675 11.261 -11.260 111 HG1 THR 13 HG1 THR 13 0.485 12.600 -8.834 112 1HG2 THR 13 1HG2 THR 13 -1.025 13.010 -10.762 113 2HG2 THR 13 2HG2 THR 13 -1.632 12.007 -9.444 114 3HG2 THR 13 3HG2 THR 13 -1.755 11.443 -11.109 115 H LYS 14 H LYS 14 -1.992 9.038 -10.925 116 HA LYS 14 HA LYS 14 -1.051 6.646 -12.059 117 1HB LYS 14 2HB LYS 14 -3.410 8.116 -12.188 118 2HB LYS 14 1HB LYS 14 -2.850 8.085 -13.860 119 1HG LYS 14 2HG LYS 14 -3.929 6.060 -13.860 120 2HG LYS 14 1HG LYS 14 -2.387 5.512 -13.204 121 1HD LYS 14 2HD LYS 14 -3.392 6.094 -10.890 122 2HD LYS 14 1HD LYS 14 -4.946 6.108 -11.726 123 1HE LYS 14 2HE LYS 14 -3.962 3.782 -12.675 124 2HE LYS 14 1HE LYS 14 -3.147 3.822 -11.111 125 1HZ LYS 14 1HZ LYS 14 -5.707 4.590 -10.563 126 2HZ LYS 14 2HZ LYS 14 -5.040 3.053 -10.277 127 3HZ LYS 14 3HZ LYS 14 -5.903 3.355 -11.710 128 H LYS 15 H LYS 15 -1.067 9.913 -13.524 129 HA LYS 15 HA LYS 15 0.253 9.130 -15.943 130 1HB LYS 15 2HB LYS 15 -0.704 11.544 -14.791 131 2HB LYS 15 1HB LYS 15 0.999 11.806 -15.170 132 1HG LYS 15 2HG LYS 15 0.652 11.673 -17.420 133 2HG LYS 15 1HG LYS 15 -0.542 10.384 -17.257 134 1HD LYS 15 2HD LYS 15 -2.132 12.153 -16.329 135 2HD LYS 15 1HD LYS 15 -0.964 13.356 -16.877 136 1HE LYS 15 2HE LYS 15 -1.411 11.477 -19.000 137 2HE LYS 15 1HE LYS 15 -2.971 12.056 -18.417 138 1HZ LYS 15 1HZ LYS 15 -2.463 13.713 -19.858 139 2HZ LYS 15 2HZ LYS 15 -0.784 13.536 -19.667 140 3HZ LYS 15 3HZ LYS 15 -1.698 14.338 -18.480 141 H ALA 16 H ALA 16 1.471 10.293 -12.811 142 HA ALA 16 HA ALA 16 4.262 9.897 -13.720 143 1HB ALA 16 1HB ALA 16 3.027 11.627 -11.866 144 2HB ALA 16 2HB ALA 16 4.757 11.451 -12.153 145 3HB ALA 16 3HB ALA 16 3.972 10.496 -10.897 146 H ASP 17 H ASP 17 2.179 7.713 -13.199 147 HA ASP 17 HA ASP 17 3.115 6.282 -10.846 148 1HB ASP 17 2HB ASP 17 0.817 6.112 -12.028 149 2HB ASP 17 1HB ASP 17 1.640 5.036 -13.157 150 H VAL 18 H VAL 18 3.742 6.074 -14.341 151 HA VAL 18 HA VAL 18 5.562 3.793 -13.906 152 HB VAL 18 HB VAL 18 5.208 5.296 -16.493 153 1HG1 VAL 18 1HG1 VAL 18 6.136 2.590 -15.609 154 2HG1 VAL 18 2HG1 VAL 18 6.844 3.679 -16.801 155 3HG1 VAL 18 3HG1 VAL 18 5.398 2.753 -17.202 156 1HG2 VAL 18 1HG2 VAL 18 3.377 3.234 -15.240 157 2HG2 VAL 18 2HG2 VAL 18 3.354 3.635 -16.957 158 3HG2 VAL 18 3HG2 VAL 18 2.950 4.865 -15.759 159 H LYS 19 H LYS 19 5.702 7.253 -14.252 160 HA LYS 19 HA LYS 19 8.592 7.214 -14.845 161 1HB LYS 19 2HB LYS 19 8.447 9.572 -15.051 162 2HB LYS 19 1HB LYS 19 6.931 8.971 -15.720 163 1HG LYS 19 2HG LYS 19 5.961 9.289 -13.357 164 2HG LYS 19 1HG LYS 19 7.407 10.242 -13.025 165 1HD LYS 19 2HD LYS 19 5.763 10.809 -15.481 166 2HD LYS 19 1HD LYS 19 5.282 11.474 -13.920 167 1HE LYS 19 2HE LYS 19 8.136 11.816 -14.407 168 2HE LYS 19 1HE LYS 19 7.160 12.575 -15.665 169 1HZ LYS 19 1HZ LYS 19 5.934 13.134 -13.240 170 2HZ LYS 19 2HZ LYS 19 6.754 14.215 -14.261 171 3HZ LYS 19 3HZ LYS 19 7.590 13.425 -13.011 172 H ALA 20 H ALA 20 6.464 7.489 -12.103 173 HA ALA 20 HA ALA 20 8.548 8.500 -10.294 174 1HB ALA 20 1HB ALA 20 6.289 9.067 -9.708 175 2HB ALA 20 2HB ALA 20 6.812 7.861 -8.532 176 3HB ALA 20 3HB ALA 20 5.759 7.394 -9.867 177 H ILE 21 H ILE 21 7.476 5.449 -11.523 178 HA ILE 21 HA ILE 21 8.606 3.875 -9.337 179 HB ILE 21 HB ILE 21 7.610 3.148 -12.105 180 1HG1 ILE 21 2HG1 ILE 21 5.587 2.761 -11.147 181 2HG1 ILE 21 1HG1 ILE 21 6.309 1.979 -9.751 182 1HG2 ILE 21 1HG2 ILE 21 8.538 1.119 -11.890 183 2HG2 ILE 21 2HG2 ILE 21 7.824 0.925 -10.289 184 3HG2 ILE 21 3HG2 ILE 21 9.394 1.699 -10.463 185 1HD1 ILE 21 1HD1 ILE 21 6.000 4.965 -10.175 186 2HD1 ILE 21 2HD1 ILE 21 6.847 4.235 -8.814 187 3HD1 ILE 21 3HD1 ILE 21 5.116 3.972 -9.019 188 H ALA 22 H ALA 22 9.720 5.135 -12.436 189 HA ALA 22 HA ALA 22 12.187 3.507 -12.256 190 1HB ALA 22 1HB ALA 22 12.709 4.964 -14.386 191 2HB ALA 22 2HB ALA 22 10.980 5.306 -14.332 192 3HB ALA 22 3HB ALA 22 11.546 3.642 -14.491 193 H ASP 23 H ASP 23 11.088 6.784 -11.717 194 HA ASP 23 HA ASP 23 13.860 7.745 -11.336 195 1HB ASP 23 2HB ASP 23 12.135 9.135 -12.549 196 2HB ASP 23 1HB ASP 23 11.272 9.291 -11.017 197 H ALA 24 H ALA 24 11.198 6.579 -9.457 198 HA ALA 24 HA ALA 24 12.285 7.835 -7.005 199 1HB ALA 24 1HB ALA 24 9.787 7.665 -7.440 200 2HB ALA 24 2HB ALA 24 10.324 7.044 -5.880 201 3HB ALA 24 3HB ALA 24 9.945 5.928 -7.191 202 H TRP 25 H TRP 25 12.205 6.110 -5.066 203 HA TRP 25 HA TRP 25 13.169 4.239 -4.076 204 1HB TRP 25 2HB TRP 25 13.710 2.823 -6.626 205 2HB TRP 25 1HB TRP 25 13.147 2.202 -5.099 206 HD1 TRP 25 HD1 TRP 25 10.705 4.821 -5.960 207 HE1 TRP 25 HE1 TRP 25 8.721 3.865 -7.235 208 HE3 TRP 25 HE3 TRP 25 12.465 0.139 -7.037 209 HZ2 TRP 25 HZ2 TRP 25 7.965 1.447 -8.510 210 HZ3 TRP 25 HZ3 TRP 25 11.051 -1.452 -8.265 211 HH2 TRP 25 HH2 TRP 25 8.808 -0.792 -9.007 212 H GLN 26 H GLN 26 15.267 2.657 -5.780 213 HA GLN 26 HA GLN 26 17.425 4.659 -5.366 214 1HB GLN 26 2HB GLN 26 17.386 2.274 -4.318 215 2HB GLN 26 1HB GLN 26 17.839 1.728 -5.931 216 1HG GLN 26 2HG GLN 26 19.952 2.086 -5.104 217 2HG GLN 26 1HG GLN 26 19.619 3.725 -5.662 218 1HE2 GLN 26 1HE2 GLN 26 19.265 5.375 -4.058 219 2HE2 GLN 26 2HE2 GLN 26 19.477 5.093 -2.398 220 H ILE 27 H ILE 27 16.527 5.588 -7.562 221 HA ILE 27 HA ILE 27 17.618 4.039 -9.867 222 HB ILE 27 HB ILE 27 15.695 4.698 -10.870 223 1HG1 ILE 27 2HG1 ILE 27 17.296 6.520 -11.696 224 2HG1 ILE 27 1HG1 ILE 27 15.575 6.862 -11.847 225 1HG2 ILE 27 1HG2 ILE 27 14.006 5.826 -9.758 226 2HG2 ILE 27 2HG2 ILE 27 15.123 6.891 -8.913 227 3HG2 ILE 27 3HG2 ILE 27 14.976 5.209 -8.431 228 1HD1 ILE 27 1HD1 ILE 27 17.189 8.683 -10.834 229 2HD1 ILE 27 2HD1 ILE 27 17.022 7.730 -9.360 230 3HD1 ILE 27 3HD1 ILE 27 15.597 8.431 -10.123 231 H ASN 28 H ASN 28 18.344 6.624 -7.792 232 HA ASN 28 HA ASN 28 20.784 7.232 -9.278 233 1HB ASN 28 2HB ASN 28 18.987 8.678 -10.352 234 2HB ASN 28 1HB ASN 28 18.830 9.495 -8.798 235 1HD2 ASN 28 1HD2 ASN 28 21.089 10.274 -7.884 236 2HD2 ASN 28 2HD2 ASN 28 22.129 10.985 -9.017 237 H GLY 29 H GLY 29 18.572 8.085 -6.644 238 1HA GLY 29 2HA GLY 29 19.431 7.881 -4.326 239 2HA GLY 29 1HA GLY 29 20.969 8.507 -4.917 240 H GLU 30 H GLU 30 19.797 10.532 -6.603 241 HA GLU 30 HA GLU 30 18.752 12.393 -4.511 242 1HB GLU 30 2HB GLU 30 20.905 13.216 -5.109 243 2HB GLU 30 1HB GLU 30 20.666 12.834 -6.814 244 1HG GLU 30 2HG GLU 30 19.211 14.645 -7.150 245 2HG GLU 30 1HG GLU 30 18.868 14.812 -5.427 246 H LYS 31 H LYS 31 18.587 11.317 -7.875 247 HA LYS 31 HA LYS 31 16.469 13.115 -8.662 248 1HB LYS 31 2HB LYS 31 17.837 10.760 -9.781 249 2HB LYS 31 1HB LYS 31 16.129 10.848 -10.213 250 1HG LYS 31 2HG LYS 31 17.118 12.125 -11.905 251 2HG LYS 31 1HG LYS 31 16.670 13.362 -10.733 252 1HD LYS 31 2HD LYS 31 19.045 12.950 -9.741 253 2HD LYS 31 1HD LYS 31 19.390 12.203 -11.301 254 1HE LYS 31 2HE LYS 31 18.144 14.515 -12.078 255 2HE LYS 31 1HE LYS 31 18.992 15.046 -10.625 256 1HZ LYS 31 1HZ LYS 31 20.435 13.388 -12.563 257 2HZ LYS 31 2HZ LYS 31 21.022 14.598 -11.525 258 3HZ LYS 31 3HZ LYS 31 20.178 15.023 -12.937 259 H GLU 32 H GLU 32 16.621 9.899 -7.202 260 HA GLU 32 HA GLU 32 13.695 9.600 -7.161 261 1HB GLU 32 2HB GLU 32 14.186 7.598 -5.764 262 2HB GLU 32 1HB GLU 32 15.138 7.590 -7.247 263 1HG GLU 32 2HG GLU 32 16.871 7.205 -5.806 264 2HG GLU 32 1HG GLU 32 16.822 8.957 -5.621 265 H LEU 33 H LEU 33 16.241 10.870 -5.198 266 HA LEU 33 HA LEU 33 14.964 10.924 -2.654 267 1HB LEU 33 2HB LEU 33 17.377 11.441 -3.077 268 2HB LEU 33 1HB LEU 33 16.890 12.957 -3.832 269 HG LEU 33 HG LEU 33 17.572 13.066 -1.359 270 1HD1 LEU 33 1HD1 LEU 33 14.824 14.095 -1.406 271 2HD1 LEU 33 2HD1 LEU 33 15.742 14.503 -2.857 272 3HD1 LEU 33 3HD1 LEU 33 16.348 14.972 -1.267 273 1HD2 LEU 33 1HD2 LEU 33 14.803 11.887 -1.029 274 2HD2 LEU 33 2HD2 LEU 33 15.914 12.361 0.255 275 3HD2 LEU 33 3HD2 LEU 33 16.294 10.981 -0.776 276 H GLU 34 H GLU 34 14.947 13.213 -5.350 277 HA GLU 34 HA GLU 34 13.398 15.237 -4.107 278 1HB GLU 34 2HB GLU 34 14.775 15.253 -6.308 279 2HB GLU 34 1HB GLU 34 13.295 14.643 -7.053 280 1HG GLU 34 2HG GLU 34 12.074 16.569 -5.959 281 2HG GLU 34 1HG GLU 34 13.657 17.203 -5.513 282 H LEU 35 H LEU 35 12.283 12.750 -6.493 283 HA LEU 35 HA LEU 35 9.589 13.353 -6.467 284 1HB LEU 35 2HB LEU 35 10.683 11.505 -7.809 285 2HB LEU 35 1HB LEU 35 10.658 10.515 -6.351 286 HG LEU 35 HG LEU 35 8.679 10.363 -8.107 287 1HD1 LEU 35 1HD1 LEU 35 8.824 9.175 -5.912 288 2HD1 LEU 35 2HD1 LEU 35 7.181 9.675 -6.306 289 3HD1 LEU 35 3HD1 LEU 35 8.123 10.591 -5.134 290 1HD2 LEU 35 1HD2 LEU 35 7.853 12.697 -6.354 291 2HD2 LEU 35 2HD2 LEU 35 6.820 11.871 -7.520 292 3HD2 LEU 35 3HD2 LEU 35 8.214 12.795 -8.077 293 H LEU 36 H LEU 36 11.134 11.028 -4.225 294 HA LEU 36 HA LEU 36 8.793 10.785 -2.617 295 1HB LEU 36 2HB LEU 36 11.014 9.336 -2.735 296 2HB LEU 36 1HB LEU 36 11.523 10.424 -1.440 297 HG LEU 36 HG LEU 36 10.373 8.360 -0.597 298 1HD1 LEU 36 1HD1 LEU 36 9.369 9.560 1.112 299 2HD1 LEU 36 2HD1 LEU 36 8.544 10.643 0.001 300 3HD1 LEU 36 3HD1 LEU 36 10.253 10.876 0.340 301 1HD2 LEU 36 1HD2 LEU 36 7.742 9.448 -1.399 302 2HD2 LEU 36 2HD2 LEU 36 8.288 7.773 -1.335 303 3HD2 LEU 36 3HD2 LEU 36 8.693 8.782 -2.724 304 H GLN 37 H GLN 37 11.376 13.110 -2.734 305 HA GLN 37 HA GLN 37 11.099 14.202 -0.123 306 1HB GLN 37 2HB GLN 37 12.891 14.767 -1.859 307 2HB GLN 37 1HB GLN 37 11.688 15.797 -2.633 308 1HG GLN 37 2HG GLN 37 11.684 17.329 -0.901 309 2HG GLN 37 1HG GLN 37 12.147 16.124 0.303 310 1HE2 GLN 37 1HE2 GLN 37 13.834 16.491 -2.798 311 2HE2 GLN 37 2HE2 GLN 37 15.291 17.061 -2.138 312 H GLN 38 H GLN 38 9.016 14.157 -2.805 313 HA GLN 38 HA GLN 38 7.149 15.978 -1.396 314 1HB GLN 38 2HB GLN 38 8.405 16.428 -3.992 315 2HB GLN 38 1HB GLN 38 6.645 16.410 -4.108 316 1HG GLN 38 2HG GLN 38 7.234 17.874 -1.773 317 2HG GLN 38 1HG GLN 38 8.370 18.450 -2.995 318 1HE2 GLN 38 1HE2 GLN 38 6.379 20.224 -2.171 319 2HE2 GLN 38 2HE2 GLN 38 5.219 20.411 -3.397 320 H ILE 39 H ILE 39 7.443 12.958 -1.855 321 HA ILE 39 HA ILE 39 4.744 12.628 -3.039 322 HB ILE 39 HB ILE 39 7.196 11.047 -3.611 323 1HG1 ILE 39 2HG1 ILE 39 6.444 12.812 -5.166 324 2HG1 ILE 39 1HG1 ILE 39 6.239 11.224 -5.896 325 1HG2 ILE 39 1HG2 ILE 39 4.317 10.093 -3.714 326 2HG2 ILE 39 2HG2 ILE 39 5.641 9.365 -2.804 327 3HG2 ILE 39 3HG2 ILE 39 5.640 9.296 -4.567 328 1HD1 ILE 39 1HD1 ILE 39 4.058 11.633 -6.188 329 2HD1 ILE 39 2HD1 ILE 39 4.245 13.209 -5.422 330 3HD1 ILE 39 3HD1 ILE 39 3.862 11.794 -4.442 331 H ALA 40 H ALA 40 7.091 11.066 -0.829 332 HA ALA 40 HA ALA 40 5.036 9.304 0.265 333 1HB ALA 40 1HB ALA 40 7.636 10.075 1.608 334 2HB ALA 40 2HB ALA 40 7.522 8.815 0.383 335 3HB ALA 40 3HB ALA 40 6.663 8.639 1.907 336 H GLN 41 H GLN 41 5.694 12.545 0.528 337 HA GLN 41 HA GLN 41 4.555 12.728 3.266 338 1HB GLN 41 2HB GLN 41 5.662 14.973 1.596 339 2HB GLN 41 1HB GLN 41 5.430 14.947 3.345 340 1HG GLN 41 2HG GLN 41 7.288 13.639 3.710 341 2HG GLN 41 1HG GLN 41 7.163 12.826 2.162 342 1HE2 GLN 41 1HE2 GLN 41 9.324 13.249 1.481 343 2HE2 GLN 41 2HE2 GLN 41 9.881 14.810 1.130 344 H LYS 42 H LYS 42 3.768 12.934 0.016 345 HA LYS 42 HA LYS 42 1.177 14.232 0.760 346 1HB LYS 42 2HB LYS 42 1.191 15.234 -1.586 347 2HB LYS 42 1HB LYS 42 2.316 15.950 -0.430 348 1HG LYS 42 2HG LYS 42 3.862 15.593 -2.055 349 2HG LYS 42 1HG LYS 42 3.839 13.932 -1.471 350 1HD LYS 42 2HD LYS 42 3.546 13.882 -3.861 351 2HD LYS 42 1HD LYS 42 2.009 13.445 -3.120 352 1HE LYS 42 2HE LYS 42 1.666 15.074 -4.939 353 2HE LYS 42 1HE LYS 42 1.223 15.776 -3.384 354 1HZ LYS 42 1HZ LYS 42 2.736 17.348 -3.675 355 2HZ LYS 42 2HZ LYS 42 3.080 16.729 -5.218 356 3HZ LYS 42 3HZ LYS 42 3.966 16.197 -3.869 357 HA PRO 43 HA PRO 43 0.835 10.408 -2.084 358 1HB PRO 43 2HB PRO 43 0.620 8.365 -0.252 359 2HB PRO 43 1HB PRO 43 2.143 8.829 -1.026 360 1HG PRO 43 2HG PRO 43 1.181 9.408 1.745 361 2HG PRO 43 1HG PRO 43 2.829 9.140 1.151 362 1HD PRO 43 2HD PRO 43 1.759 11.664 1.717 363 2HD PRO 43 1HD PRO 43 3.136 11.349 0.649 364 H GLY 44 H GLY 44 -0.971 8.442 -1.034 365 1HA GLY 44 2HA GLY 44 -3.145 9.594 0.427 366 2HA GLY 44 1HA GLY 44 -3.468 9.688 -1.308 367 H ALA 45 H ALA 45 -1.958 7.258 -1.929 368 HA ALA 45 HA ALA 45 -3.295 5.117 -0.437 369 1HB ALA 45 1HB ALA 45 -4.016 4.356 -2.957 370 2HB ALA 45 2HB ALA 45 -4.243 6.102 -3.052 371 3HB ALA 45 3HB ALA 45 -5.094 5.167 -1.823 372 H LEU 46 H LEU 46 -0.467 5.709 -0.826 373 HA LEU 46 HA LEU 46 0.867 4.467 -2.900 374 1HB LEU 46 2HB LEU 46 1.640 5.350 -0.464 375 2HB LEU 46 1HB LEU 46 1.725 3.613 -0.179 376 HG LEU 46 HG LEU 46 3.109 5.103 -2.432 377 1HD1 LEU 46 1HD1 LEU 46 5.126 4.722 -1.220 378 2HD1 LEU 46 2HD1 LEU 46 4.323 3.630 -0.091 379 3HD1 LEU 46 3HD1 LEU 46 3.976 5.359 -0.046 380 1HD2 LEU 46 1HD2 LEU 46 2.306 2.610 -2.735 381 2HD2 LEU 46 2HD2 LEU 46 3.637 2.251 -1.638 382 3HD2 LEU 46 3HD2 LEU 46 3.953 3.048 -3.175 383 H ARG 47 H ARG 47 -0.181 2.770 0.052 384 HA ARG 47 HA ARG 47 0.224 0.195 -0.146 385 1HB ARG 47 2HB ARG 47 -1.963 1.651 0.802 386 2HB ARG 47 1HB ARG 47 -2.668 0.389 -0.208 387 1HG ARG 47 2HG ARG 47 -2.263 -1.143 1.386 388 2HG ARG 47 1HG ARG 47 -0.542 -0.762 1.333 389 1HD ARG 47 2HD ARG 47 -0.791 0.979 2.970 390 2HD ARG 47 1HD ARG 47 -2.551 0.898 2.874 391 HE ARG 47 HE ARG 47 -1.139 -1.547 3.774 392 1HH1 ARG 47 2HH1 ARG 47 -1.000 0.716 5.796 393 2HH1 ARG 47 1HH1 ARG 47 -2.412 0.407 6.751 394 1HH2 ARG 47 1HH2 ARG 47 -3.843 -1.729 4.423 395 2HH2 ARG 47 2HH2 ARG 47 -4.021 -0.978 5.974 396 H ILE 48 H ILE 48 -2.197 1.636 -2.345 397 HA ILE 48 HA ILE 48 -2.851 -0.628 -3.836 398 HB ILE 48 HB ILE 48 -2.590 2.283 -4.573 399 1HG1 ILE 48 2HG1 ILE 48 -4.892 0.330 -4.261 400 2HG1 ILE 48 1HG1 ILE 48 -4.462 1.636 -3.155 401 1HG2 ILE 48 1HG2 ILE 48 -2.717 -0.009 -6.395 402 2HG2 ILE 48 2HG2 ILE 48 -2.438 1.694 -6.759 403 3HG2 ILE 48 3HG2 ILE 48 -4.085 1.085 -6.596 404 1HD1 ILE 48 1HD1 ILE 48 -5.282 2.025 -6.049 405 2HD1 ILE 48 2HD1 ILE 48 -4.949 3.300 -4.876 406 3HD1 ILE 48 3HD1 ILE 48 -6.349 2.251 -4.663 407 H LEU 49 H LEU 49 -0.327 1.725 -4.900 408 HA LEU 49 HA LEU 49 0.842 -0.400 -6.584 409 1HB LEU 49 2HB LEU 49 2.346 2.138 -6.229 410 2HB LEU 49 1HB LEU 49 1.962 1.260 -7.706 411 HG LEU 49 HG LEU 49 -0.523 2.159 -6.727 412 1HD1 LEU 49 1HD1 LEU 49 1.444 4.454 -6.783 413 2HD1 LEU 49 2HD1 LEU 49 0.937 3.683 -5.279 414 3HD1 LEU 49 3HD1 LEU 49 -0.253 4.491 -6.300 415 1HD2 LEU 49 1HD2 LEU 49 -0.381 2.214 -9.012 416 2HD2 LEU 49 2HD2 LEU 49 1.313 2.708 -8.998 417 3HD2 LEU 49 3HD2 LEU 49 0.042 3.900 -8.715 418 H ASN 50 H ASN 50 1.035 0.389 -3.379 419 HA ASN 50 HA ASN 50 3.882 0.163 -2.935 420 1HB ASN 50 2HB ASN 50 2.196 1.173 -1.301 421 2HB ASN 50 1HB ASN 50 1.688 -0.477 -0.955 422 1HD2 ASN 50 1HD2 ASN 50 5.053 0.591 -1.606 423 2HD2 ASN 50 2HD2 ASN 50 5.649 0.144 -0.084 424 H HIS 51 H HIS 51 1.175 -2.040 -3.237 425 HA HIS 51 HA HIS 51 2.103 -4.379 -2.053 426 1HB HIS 51 2HB HIS 51 -0.020 -4.351 -3.241 427 2HB HIS 51 1HB HIS 51 0.794 -4.027 -4.771 428 HD1 HIS 51 HD1 HIS 51 0.909 -6.703 -2.046 429 HD2 HIS 51 HD2 HIS 51 1.321 -6.334 -6.175 430 HE1 HIS 51 HE1 HIS 51 1.246 -9.042 -2.947 431 H SER 52 H SER 52 3.343 -2.662 -4.836 432 HA SER 52 HA SER 52 5.533 -4.658 -5.007 433 1HB SER 52 2HB SER 52 4.659 -3.101 -7.395 434 2HB SER 52 1HB SER 52 5.358 -4.719 -7.299 435 HG SER 52 HG SER 52 3.258 -5.159 -6.111 436 H LEU 53 H LEU 53 4.689 -1.446 -4.340 437 HA LEU 53 HA LEU 53 7.187 -0.345 -5.457 438 1HB LEU 53 2HB LEU 53 4.690 0.823 -4.653 439 2HB LEU 53 1HB LEU 53 5.983 1.563 -3.719 440 HG LEU 53 HG LEU 53 7.137 2.289 -5.654 441 1HD1 LEU 53 1HD1 LEU 53 7.200 0.392 -7.037 442 2HD1 LEU 53 2HD1 LEU 53 6.215 1.524 -7.956 443 3HD1 LEU 53 3HD1 LEU 53 5.451 0.225 -7.044 444 1HD2 LEU 53 1HD2 LEU 53 4.196 2.465 -6.381 445 2HD2 LEU 53 2HD2 LEU 53 5.478 3.532 -6.952 446 3HD2 LEU 53 3HD2 LEU 53 5.015 3.541 -5.250 447 H ARG 54 H ARG 54 6.066 -1.727 -2.532 448 HA ARG 54 HA ARG 54 7.780 -0.490 -0.642 449 1HB ARG 54 2HB ARG 54 6.084 -2.253 -0.070 450 2HB ARG 54 1HB ARG 54 7.124 -3.454 -0.836 451 1HG ARG 54 2HG ARG 54 8.395 -3.610 1.016 452 2HG ARG 54 1HG ARG 54 8.660 -1.866 1.029 453 1HD ARG 54 2HD ARG 54 6.148 -1.863 1.934 454 2HD ARG 54 1HD ARG 54 6.597 -3.484 2.465 455 HE ARG 54 HE ARG 54 8.013 -0.989 3.313 456 1HH1 ARG 54 2HH1 ARG 54 6.080 -2.797 4.972 457 2HH1 ARG 54 1HH1 ARG 54 7.229 -3.620 5.972 458 1HH2 ARG 54 1HH2 ARG 54 9.965 -2.688 4.048 459 2HH2 ARG 54 2HH2 ARG 54 9.433 -3.558 5.448 460 H LEU 55 H LEU 55 8.388 -2.509 -3.381 461 HA LEU 55 HA LEU 55 10.957 -3.565 -2.771 462 1HB LEU 55 2HB LEU 55 9.236 -3.395 -5.048 463 2HB LEU 55 1HB LEU 55 10.834 -2.826 -5.531 464 HG LEU 55 HG LEU 55 10.487 -5.335 -5.741 465 1HD1 LEU 55 1HD1 LEU 55 12.651 -4.073 -4.063 466 2HD1 LEU 55 2HD1 LEU 55 12.730 -4.608 -5.742 467 3HD1 LEU 55 3HD1 LEU 55 12.688 -5.796 -4.438 468 1HD2 LEU 55 1HD2 LEU 55 9.408 -5.077 -3.217 469 2HD2 LEU 55 2HD2 LEU 55 11.025 -5.684 -2.864 470 3HD2 LEU 55 3HD2 LEU 55 9.952 -6.599 -3.924 471 H ALA 56 H ALA 56 9.938 -0.514 -4.202 472 HA ALA 56 HA ALA 56 12.086 0.768 -5.121 473 1HB ALA 56 1HB ALA 56 10.210 1.824 -2.992 474 2HB ALA 56 2HB ALA 56 10.057 2.007 -4.740 475 3HB ALA 56 3HB ALA 56 11.347 2.843 -3.876 476 H ALA 57 H ALA 57 11.635 0.052 -1.671 477 HA ALA 57 HA ALA 57 14.405 1.030 -1.154 478 1HB ALA 57 1HB ALA 57 11.927 0.909 0.411 479 2HB ALA 57 2HB ALA 57 13.351 1.921 0.646 480 3HB ALA 57 3HB ALA 57 13.322 0.278 1.286 481 H MET 58 H MET 58 12.361 -1.803 -1.188 482 HA MET 58 HA MET 58 14.084 -3.570 0.277 483 1HB MET 58 2HB MET 58 11.614 -3.713 -1.107 484 2HB MET 58 1HB MET 58 12.658 -4.963 -1.784 485 1HG MET 58 2HG MET 58 12.498 -6.214 0.089 486 2HG MET 58 1HG MET 58 12.892 -4.834 1.115 487 1HE MET 58 1HE MET 58 9.348 -7.037 0.138 488 2HE MET 58 2HE MET 58 10.666 -6.655 -0.968 489 3HE MET 58 3HE MET 58 9.169 -5.729 -1.040 490 H THR 59 H THR 59 16.242 -3.169 -0.581 491 HA THR 59 HA THR 59 16.666 -3.879 -3.425 492 HB THR 59 HB THR 59 17.890 -1.933 -2.479 493 HG1 THR 59 HG1 THR 59 20.074 -2.937 -2.953 494 1HG2 THR 59 1HG2 THR 59 19.135 -4.045 -0.696 495 2HG2 THR 59 2HG2 THR 59 18.102 -2.715 -0.173 496 3HG2 THR 59 3HG2 THR 59 19.701 -2.379 -0.833 497 H ALA 60 H ALA 60 15.947 -5.714 -1.024 498 HA ALA 60 HA ALA 60 18.208 -7.641 -1.349 499 1HB ALA 60 1HB ALA 60 16.937 -8.755 0.663 500 2HB ALA 60 2HB ALA 60 16.201 -7.161 0.839 501 3HB ALA 60 3HB ALA 60 17.951 -7.341 0.957 502 H HIS 61 H HIS 61 15.270 -6.957 -2.650 503 HA HIS 61 HA HIS 61 14.045 -9.590 -2.677 504 1HB HIS 61 2HB HIS 61 12.947 -7.267 -3.105 505 2HB HIS 61 1HB HIS 61 13.559 -7.457 -4.748 506 HD1 HIS 61 HD1 HIS 61 12.305 -10.349 -2.662 507 HD2 HIS 61 HD2 HIS 61 11.072 -8.077 -5.936 508 HE1 HIS 61 HE1 HIS 61 10.275 -11.518 -3.626 509 H GLY 62 H GLY 62 15.972 -10.836 -3.338 510 1HA GLY 62 2HA GLY 62 16.913 -10.415 -6.105 511 2HA GLY 62 1HA GLY 62 17.543 -11.611 -4.970 512 H LYS 63 H LYS 63 14.131 -11.101 -5.769 513 HA LYS 63 HA LYS 63 14.087 -13.890 -6.839 514 1HB LYS 63 2HB LYS 63 12.743 -13.236 -4.717 515 2HB LYS 63 1HB LYS 63 11.670 -12.392 -5.835 516 1HG LYS 63 2HG LYS 63 10.632 -14.423 -5.949 517 2HG LYS 63 1HG LYS 63 11.911 -14.777 -7.111 518 1HD LYS 63 2HD LYS 63 13.307 -15.672 -5.246 519 2HD LYS 63 1HD LYS 63 11.954 -15.409 -4.145 520 1HE LYS 63 2HE LYS 63 11.026 -16.838 -6.465 521 2HE LYS 63 1HE LYS 63 12.426 -17.671 -5.789 522 1HZ LYS 63 1HZ LYS 63 11.356 -18.108 -3.857 523 2HZ LYS 63 2HZ LYS 63 9.995 -18.049 -4.872 524 3HZ LYS 63 3HZ LYS 63 10.404 -16.705 -3.916 525 H GLY 64 H GLY 64 13.547 -10.566 -7.607 526 1HA GLY 64 2HA GLY 64 13.086 -11.179 -10.385 527 2HA GLY 64 1HA GLY 64 11.569 -10.726 -9.610 528 H GLU 65 H GLU 65 14.800 -9.572 -10.456 529 HA GLU 65 HA GLU 65 13.737 -6.838 -10.639 530 1HB GLU 65 2HB GLU 65 16.263 -6.708 -9.206 531 2HB GLU 65 1HB GLU 65 14.731 -5.927 -8.829 532 1HG GLU 65 2HG GLU 65 15.107 -8.857 -8.245 533 2HG GLU 65 1HG GLU 65 15.731 -7.643 -7.133 534 H ARG 66 H ARG 66 15.391 -5.378 -11.659 535 HA ARG 66 HA ARG 66 17.200 -6.983 -13.413 536 1HB ARG 66 2HB ARG 66 15.428 -4.676 -13.882 537 2HB ARG 66 1HB ARG 66 17.041 -4.490 -14.572 538 1HG ARG 66 2HG ARG 66 16.252 -7.151 -15.120 539 2HG ARG 66 1HG ARG 66 14.865 -6.130 -15.510 540 1HD ARG 66 2HD ARG 66 15.964 -5.051 -17.209 541 2HD ARG 66 1HD ARG 66 17.525 -5.138 -16.394 542 HE ARG 66 HE ARG 66 16.617 -7.754 -17.256 543 1HH1 ARG 66 2HH1 ARG 66 16.808 -8.001 -19.661 544 2HH1 ARG 66 1HH1 ARG 66 18.231 -7.296 -20.352 545 1HH2 ARG 66 2HH2 ARG 66 19.483 -5.856 -19.140 546 2HH2 ARG 66 1HH2 ARG 66 19.016 -5.455 -17.521 547 H VAL 67 H VAL 67 17.426 -3.501 -13.062 548 HA VAL 67 HA VAL 67 19.256 -3.186 -10.992 549 HB VAL 67 HB VAL 67 20.757 -4.797 -11.950 550 1HG1 VAL 67 1HG1 VAL 67 20.563 -5.230 -14.155 551 2HG1 VAL 67 2HG1 VAL 67 21.485 -3.756 -14.457 552 3HG1 VAL 67 3HG1 VAL 67 19.723 -3.704 -14.432 553 1HG2 VAL 67 1HG2 VAL 67 22.692 -3.516 -12.012 554 2HG2 VAL 67 2HG2 VAL 67 21.571 -2.357 -11.297 555 3HG2 VAL 67 3HG2 VAL 67 21.956 -2.266 -13.015 556 H ASN 68 H ASN 68 19.795 -1.032 -10.837 557 HA ASN 68 HA ASN 68 20.161 1.196 -11.511 558 1HB ASN 68 2HB ASN 68 20.752 -0.204 -13.818 559 2HB ASN 68 1HB ASN 68 19.453 0.869 -14.341 560 1HD2 ASN 68 1HD2 ASN 68 21.939 1.413 -15.413 561 2HD2 ASN 68 2HD2 ASN 68 22.614 2.795 -14.694 562 H GLU 69 H GLU 69 18.617 2.427 -13.723 563 HA GLU 69 HA GLU 69 16.262 3.115 -12.273 564 1HB GLU 69 2HB GLU 69 15.499 4.097 -14.479 565 2HB GLU 69 1HB GLU 69 17.093 4.636 -13.952 566 1HG GLU 69 2HG GLU 69 17.168 2.178 -15.560 567 2HG GLU 69 1HG GLU 69 16.527 3.569 -16.434 568 H ASP 70 H ASP 70 16.890 0.590 -14.651 569 HA ASP 70 HA ASP 70 14.109 -0.045 -15.106 570 1HB ASP 70 2HB ASP 70 16.236 -2.147 -15.242 571 2HB ASP 70 1HB ASP 70 14.867 -1.871 -16.318 572 H TYR 71 H TYR 71 16.624 -1.391 -12.964 573 HA TYR 71 HA TYR 71 15.592 -3.470 -11.627 574 1HB TYR 71 2HB TYR 71 17.476 -2.503 -10.595 575 2HB TYR 71 1HB TYR 71 16.708 -0.923 -10.472 576 HD1 TYR 71 HD1 TYR 71 16.448 -0.342 -8.253 577 HD2 TYR 71 HD2 TYR 71 15.587 -4.367 -9.476 578 HE1 TYR 71 HE1 TYR 71 15.635 -0.859 -5.958 579 HE2 TYR 71 HE2 TYR 71 14.779 -4.888 -7.178 580 HH TYR 71 HH TYR 71 14.589 -2.370 -4.683 581 H LEU 72 H LEU 72 14.442 -0.172 -11.081 582 HA LEU 72 HA LEU 72 12.516 -0.730 -9.152 583 1HB LEU 72 2HB LEU 72 12.177 1.293 -11.352 584 2HB LEU 72 1HB LEU 72 11.513 1.352 -9.720 585 HG LEU 72 HG LEU 72 14.392 1.642 -10.561 586 1HD1 LEU 72 1HD1 LEU 72 13.004 3.656 -10.576 587 2HD1 LEU 72 2HD1 LEU 72 14.126 3.723 -9.217 588 3HD1 LEU 72 3HD1 LEU 72 12.436 3.300 -8.946 589 1HD2 LEU 72 1HD2 LEU 72 13.416 1.518 -7.724 590 2HD2 LEU 72 2HD2 LEU 72 15.067 1.448 -8.303 591 3HD2 LEU 72 3HD2 LEU 72 13.995 0.076 -8.540 592 H ARG 73 H ARG 73 11.873 -0.321 -12.621 593 HA ARG 73 HA ARG 73 9.180 -1.262 -12.428 594 1HB ARG 73 2HB ARG 73 11.050 -1.522 -14.810 595 2HB ARG 73 1HB ARG 73 9.287 -1.571 -14.856 596 1HG ARG 73 2HG ARG 73 9.164 0.732 -14.054 597 2HG ARG 73 1HG ARG 73 10.919 0.793 -13.888 598 1HD ARG 73 2HD ARG 73 9.944 -0.040 -16.553 599 2HD ARG 73 1HD ARG 73 9.580 1.629 -16.111 600 HE ARG 73 HE ARG 73 12.213 1.503 -15.482 601 1HH1 ARG 73 2HH1 ARG 73 12.136 3.038 -17.742 602 2HH1 ARG 73 1HH1 ARG 73 12.695 2.054 -19.054 603 1HH2 ARG 73 2HH2 ARG 73 12.727 -0.197 -18.844 604 2HH2 ARG 73 1HH2 ARG 73 12.196 -0.937 -17.371 605 H GLN 74 H GLN 74 12.155 -3.009 -13.325 606 HA GLN 74 HA GLN 74 10.973 -5.552 -13.640 607 1HB GLN 74 2HB GLN 74 13.469 -4.723 -14.016 608 2HB GLN 74 1HB GLN 74 13.674 -5.222 -12.347 609 1HG GLN 74 2HG GLN 74 14.267 -7.090 -13.784 610 2HG GLN 74 1HG GLN 74 12.778 -7.472 -12.921 611 1HE2 GLN 74 1HE2 GLN 74 12.280 -5.117 -15.394 612 2HE2 GLN 74 2HE2 GLN 74 11.649 -6.166 -16.568 613 H ALA 75 H ALA 75 11.514 -3.627 -10.902 614 HA ALA 75 HA ALA 75 11.531 -5.773 -8.949 615 1HB ALA 75 1HB ALA 75 12.455 -4.039 -7.808 616 2HB ALA 75 2HB ALA 75 10.842 -3.331 -7.712 617 3HB ALA 75 3HB ALA 75 11.919 -2.893 -9.034 618 H PHE 76 H PHE 76 9.308 -3.085 -9.581 619 HA PHE 76 HA PHE 76 7.103 -4.621 -8.375 620 1HB PHE 76 2HB PHE 76 6.267 -2.582 -7.758 621 2HB PHE 76 1HB PHE 76 7.918 -2.061 -8.023 622 HD1 PHE 76 HD1 PHE 76 4.885 -0.829 -8.436 623 HD2 PHE 76 HD2 PHE 76 8.160 -2.023 -10.931 624 HE1 PHE 76 HE1 PHE 76 4.091 0.717 -10.187 625 HE2 PHE 76 HE2 PHE 76 7.374 -0.482 -12.691 626 HZ PHE 76 HZ PHE 76 5.342 0.886 -12.345 627 H ARG 77 H ARG 77 8.162 -5.236 -11.114 628 HA ARG 77 HA ARG 77 5.553 -5.138 -12.486 629 1HB ARG 77 2HB ARG 77 7.667 -3.313 -13.160 630 2HB ARG 77 1HB ARG 77 7.445 -4.431 -14.490 631 1HG ARG 77 2HG ARG 77 4.932 -3.978 -14.258 632 2HG ARG 77 1HG ARG 77 5.388 -2.615 -13.236 633 1HD ARG 77 2HD ARG 77 5.244 -1.650 -15.380 634 2HD ARG 77 1HD ARG 77 6.970 -1.960 -15.193 635 HE ARG 77 HE ARG 77 6.741 -3.858 -16.703 636 1HH1 ARG 77 2HH1 ARG 77 4.749 -1.311 -17.338 637 2HH1 ARG 77 1HH1 ARG 77 3.564 -2.195 -18.238 638 1HH2 ARG 77 1HH2 ARG 77 4.842 -5.303 -17.385 639 2HH2 ARG 77 2HH2 ARG 77 3.615 -4.453 -18.264 640 H GLU 78 H GLU 78 8.954 -6.156 -12.574 641 HA GLU 78 HA GLU 78 8.760 -8.080 -14.630 642 1HB GLU 78 2HB GLU 78 10.864 -8.728 -13.969 643 2HB GLU 78 1HB GLU 78 10.773 -7.243 -13.045 644 1HG GLU 78 2HG GLU 78 11.380 -8.680 -11.346 645 2HG GLU 78 1HG GLU 78 9.629 -8.883 -11.257 646 H LEU 79 H LEU 79 7.338 -8.073 -11.500 647 HA LEU 79 HA LEU 79 6.863 -11.006 -11.608 648 1HB LEU 79 2HB LEU 79 6.245 -9.003 -9.421 649 2HB LEU 79 1HB LEU 79 6.039 -10.749 -9.304 650 HG LEU 79 HG LEU 79 8.634 -10.589 -10.142 651 1HD1 LEU 79 1HD1 LEU 79 8.560 -8.474 -8.035 652 2HD1 LEU 79 2HD1 LEU 79 8.179 -7.990 -9.687 653 3HD1 LEU 79 3HD1 LEU 79 9.736 -8.736 -9.324 654 1HD2 LEU 79 1HD2 LEU 79 8.927 -10.544 -7.421 655 2HD2 LEU 79 2HD2 LEU 79 8.434 -11.969 -8.335 656 3HD2 LEU 79 3HD2 LEU 79 7.217 -10.946 -7.571 657 H ASP 80 H ASP 80 4.790 -8.263 -10.551 658 HA ASP 80 HA ASP 80 2.839 -8.449 -12.577 659 1HB ASP 80 2HB ASP 80 1.140 -9.839 -11.174 660 2HB ASP 80 1HB ASP 80 2.354 -10.700 -12.130 661 H LEU 81 H LEU 81 3.020 -8.403 -9.018 662 HA LEU 81 HA LEU 81 2.433 -6.654 -7.576 663 1HB LEU 81 2HB LEU 81 0.848 -5.379 -9.801 664 2HB LEU 81 1HB LEU 81 1.468 -4.651 -8.333 665 HG LEU 81 HG LEU 81 2.906 -5.259 -10.880 666 1HD1 LEU 81 1HD1 LEU 81 3.963 -3.096 -9.370 667 2HD1 LEU 81 2HD1 LEU 81 2.206 -2.998 -9.274 668 3HD1 LEU 81 3HD1 LEU 81 3.002 -3.022 -10.847 669 1HD2 LEU 81 1HD2 LEU 81 4.917 -4.694 -9.037 670 2HD2 LEU 81 2HD2 LEU 81 4.642 -6.246 -9.811 671 3HD2 LEU 81 3HD2 LEU 81 3.954 -5.920 -8.230 672 H ASP 82 H ASP 82 1.240 -8.900 -7.227 673 HA ASP 82 HA ASP 82 -1.456 -8.225 -6.531 674 1HB ASP 82 2HB ASP 82 -2.709 -9.598 -8.021 675 2HB ASP 82 1HB ASP 82 -1.613 -8.660 -9.037 676 H VAL 83 H VAL 83 0.941 -10.739 -6.991 677 HA VAL 83 HA VAL 83 0.124 -11.896 -4.403 678 HB VAL 83 HB VAL 83 -0.003 -13.399 -7.022 679 1HG1 VAL 83 1HG1 VAL 83 1.328 -14.703 -5.378 680 2HG1 VAL 83 2HG1 VAL 83 -0.232 -15.458 -5.709 681 3HG1 VAL 83 3HG1 VAL 83 0.010 -14.552 -4.214 682 1HG2 VAL 83 1HG2 VAL 83 -2.244 -13.954 -6.262 683 2HG2 VAL 83 2HG2 VAL 83 -2.036 -12.207 -6.146 684 3HG2 VAL 83 3HG2 VAL 83 -1.940 -13.204 -4.694 685 H ASP 84 H ASP 84 2.322 -12.135 -7.189 686 HA ASP 84 HA ASP 84 4.337 -13.677 -5.886 687 1HB ASP 84 2HB ASP 84 4.409 -11.721 -8.181 688 2HB ASP 84 1HB ASP 84 5.873 -12.518 -7.605 689 H ILE 85 H ILE 85 3.824 -10.169 -6.059 690 HA ILE 85 HA ILE 85 6.221 -9.666 -4.434 691 HB ILE 85 HB ILE 85 4.631 -7.337 -4.383 692 1HG1 ILE 85 2HG1 ILE 85 3.251 -8.453 -6.188 693 2HG1 ILE 85 1HG1 ILE 85 4.018 -6.950 -6.688 694 1HG2 ILE 85 1HG2 ILE 85 7.118 -8.324 -5.654 695 2HG2 ILE 85 2HG2 ILE 85 6.848 -6.886 -4.670 696 3HG2 ILE 85 3HG2 ILE 85 6.410 -6.880 -6.378 697 1HD1 ILE 85 1HD1 ILE 85 4.306 -9.522 -7.870 698 2HD1 ILE 85 2HD1 ILE 85 5.859 -9.091 -7.152 699 3HD1 ILE 85 3HD1 ILE 85 5.104 -8.019 -8.332 700 H SER 86 H SER 86 3.166 -10.787 -3.768 701 HA SER 86 HA SER 86 2.611 -9.341 -1.333 702 1HB SER 86 2HB SER 86 1.068 -10.895 -2.862 703 2HB SER 86 1HB SER 86 1.639 -12.144 -1.760 704 HG SER 86 HG SER 86 0.177 -9.793 -1.213 705 H THR 87 H THR 87 2.433 -10.809 0.734 706 HA THR 87 HA THR 87 5.112 -12.060 1.113 707 HB THR 87 HB THR 87 3.116 -11.232 3.240 708 HG1 THR 87 HG1 THR 87 4.303 -9.352 3.381 709 1HG2 THR 87 1HG2 THR 87 5.248 -12.887 3.462 710 2HG2 THR 87 2HG2 THR 87 4.710 -11.825 4.762 711 3HG2 THR 87 3HG2 THR 87 6.039 -11.331 3.713 712 H LEU 88 H LEU 88 2.531 -13.148 -0.076 713 HA LEU 88 HA LEU 88 2.128 -15.435 1.785 714 1HB LEU 88 2HB LEU 88 0.231 -15.235 -0.414 715 2HB LEU 88 1HB LEU 88 -0.073 -15.296 1.315 716 HG LEU 88 HG LEU 88 0.730 -12.808 -0.214 717 1HD1 LEU 88 1HD1 LEU 88 -1.822 -14.111 0.161 718 2HD1 LEU 88 2HD1 LEU 88 -1.448 -12.648 -0.752 719 3HD1 LEU 88 3HD1 LEU 88 -1.817 -12.544 0.970 720 1HD2 LEU 88 1HD2 LEU 88 0.390 -13.496 2.657 721 2HD2 LEU 88 2HD2 LEU 88 -0.323 -11.970 2.139 722 3HD2 LEU 88 3HD2 LEU 88 1.400 -12.259 1.909 723 H LEU 89 H LEU 89 1.839 -17.567 0.719 724 HA LEU 89 HA LEU 89 2.567 -19.251 -0.741 725 1HB LEU 89 2HB LEU 89 2.477 -16.914 -2.667 726 2HB LEU 89 1HB LEU 89 2.818 -18.572 -3.164 727 HG LEU 89 HG LEU 89 0.460 -18.420 -1.456 728 1HD1 LEU 89 1HD1 LEU 89 -0.487 -16.560 -2.318 729 2HD1 LEU 89 2HD1 LEU 89 -0.613 -17.442 -3.840 730 3HD1 LEU 89 3HD1 LEU 89 0.777 -16.400 -3.536 731 1HD2 LEU 89 1HD2 LEU 89 0.911 -20.384 -2.757 732 2HD2 LEU 89 2HD2 LEU 89 1.107 -19.440 -4.233 733 3HD2 LEU 89 3HD2 LEU 89 -0.489 -19.613 -3.503 734 H ARG 90 H ARG 90 4.373 -16.855 -2.550 735 HA ARG 90 HA ARG 90 6.678 -16.521 -2.784 736 1HB ARG 90 2HB ARG 90 6.631 -15.890 -0.420 737 2HB ARG 90 1HB ARG 90 6.704 -17.586 0.057 738 1HG ARG 90 2HG ARG 90 8.929 -17.804 -0.539 739 2HG ARG 90 1HG ARG 90 8.827 -16.549 -1.775 740 1HD ARG 90 2HD ARG 90 8.251 -15.408 0.809 741 2HD ARG 90 1HD ARG 90 9.786 -16.272 0.872 742 HE ARG 90 HE ARG 90 10.676 -14.742 -0.747 743 1HH1 ARG 90 2HH1 ARG 90 9.153 -12.770 0.937 744 2HH1 ARG 90 1HH1 ARG 90 8.274 -11.882 -0.261 745 1HH2 ARG 90 1HH2 ARG 90 8.756 -14.250 -2.752 746 2HH2 ARG 90 2HH2 ARG 90 8.047 -12.720 -2.353 747 H ASN 91 HN ASN 91 7.229 -19.228 -0.609 748 HA ASN 91 HA ASN 91 8.048 -20.845 -2.989 749 1HB ASN 91 2HB ASN 91 9.580 -22.003 -1.293 750 2HB ASN 91 1HB ASN 91 10.018 -20.353 -1.737 751 1HD2 ASN 91 1HD2 ASN 91 11.083 -19.991 0.348 752 2HD2 ASN 91 2HD2 ASN 91 10.180 -19.794 1.773 Start of MODEL 17 1 1H GLY 1 1H GLY 1 -19.854 16.378 2.946 2 2H GLY 1 2H GLY 1 -21.376 16.866 3.520 3 3H GLY 1 3H GLY 1 -21.230 15.449 2.594 4 1HA GLY 1 1HA GLY 1 -19.739 15.521 5.048 5 2HA GLY 1 2HA GLY 1 -21.511 15.354 5.235 6 H SER 2 H SER 2 -20.829 13.410 2.859 7 HA SER 2 HA SER 2 -19.762 11.181 4.220 8 1HB SER 2 2HB SER 2 -19.288 11.436 1.278 9 2HB SER 2 1HB SER 2 -19.898 10.063 2.197 10 HG SER 2 HG SER 2 -21.767 10.765 1.526 11 H ARG 3 H ARG 3 -17.826 11.685 5.317 12 HA ARG 3 HA ARG 3 -15.524 12.547 3.630 13 1HB ARG 3 2HB ARG 3 -16.325 13.488 6.064 14 2HB ARG 3 1HB ARG 3 -15.148 12.267 6.550 15 1HG ARG 3 2HG ARG 3 -13.723 13.389 4.593 16 2HG ARG 3 1HG ARG 3 -14.736 14.778 4.986 17 1HD ARG 3 2HD ARG 3 -14.006 14.768 7.277 18 2HD ARG 3 1HD ARG 3 -13.210 13.207 7.077 19 HE ARG 3 HE ARG 3 -11.832 15.542 6.725 20 1HH1 ARG 3 2HH1 ARG 3 -11.008 12.709 5.750 21 2HH1 ARG 3 1HH1 ARG 3 -10.560 13.069 4.116 22 1HH2 ARG 3 1HH2 ARG 3 -12.088 16.182 4.102 23 2HH2 ARG 3 2HH2 ARG 3 -11.173 15.034 3.183 24 H ILE 4 H ILE 4 -15.646 10.228 2.768 25 HA ILE 4 HA ILE 4 -14.317 8.334 4.652 26 HB ILE 4 HB ILE 4 -15.005 6.632 2.838 27 1HG1 ILE 4 2HG1 ILE 4 -17.154 8.577 2.124 28 2HG1 ILE 4 1HG1 ILE 4 -15.581 8.791 1.354 29 1HG2 ILE 4 1HG2 ILE 4 -16.176 7.354 5.136 30 2HG2 ILE 4 2HG2 ILE 4 -16.922 6.186 4.046 31 3HG2 ILE 4 3HG2 ILE 4 -17.448 7.869 4.029 32 1HD1 ILE 4 1HD1 ILE 4 -16.117 6.022 1.262 33 2HD1 ILE 4 2HD1 ILE 4 -16.122 7.155 -0.090 34 3HD1 ILE 4 3HD1 ILE 4 -17.615 6.823 0.790 35 H ALA 5 H ALA 5 -13.648 10.414 2.160 36 HA ALA 5 HA ALA 5 -11.745 8.831 0.655 37 1HB ALA 5 1HB ALA 5 -11.495 11.809 0.871 38 2HB ALA 5 2HB ALA 5 -12.927 11.140 0.090 39 3HB ALA 5 3HB ALA 5 -11.324 10.773 -0.546 40 H LYS 6 H LYS 6 -9.877 8.088 1.529 41 HA LYS 6 HA LYS 6 -8.684 9.550 3.823 42 1HB LYS 6 2HB LYS 6 -9.022 7.111 4.044 43 2HB LYS 6 1HB LYS 6 -7.994 6.845 2.635 44 1HG LYS 6 2HG LYS 6 -6.213 6.826 4.008 45 2HG LYS 6 1HG LYS 6 -6.520 8.530 4.351 46 1HD LYS 6 2HD LYS 6 -8.382 7.392 5.955 47 2HD LYS 6 1HD LYS 6 -7.149 6.131 5.979 48 1HE LYS 6 2HE LYS 6 -5.697 8.497 6.248 49 2HE LYS 6 1HE LYS 6 -7.126 8.755 7.249 50 1HZ LYS 6 1HZ LYS 6 -6.590 6.337 8.020 51 2HZ LYS 6 2HZ LYS 6 -5.770 7.660 8.701 52 3HZ LYS 6 3HZ LYS 6 -5.025 6.725 7.494 53 H ARG 7 H ARG 7 -8.056 8.699 0.476 54 HA ARG 7 HA ARG 7 -5.307 9.786 0.647 55 1HB ARG 7 2HB ARG 7 -5.108 9.053 -1.696 56 2HB ARG 7 1HB ARG 7 -5.699 7.736 -0.682 57 1HG ARG 7 2HG ARG 7 -8.058 8.844 -1.386 58 2HG ARG 7 1HG ARG 7 -7.103 9.262 -2.809 59 1HD ARG 7 2HD ARG 7 -7.357 7.158 -3.561 60 2HD ARG 7 1HD ARG 7 -6.466 6.574 -2.156 61 HE ARG 7 HE ARG 7 -9.439 6.922 -2.186 62 1HH1 ARG 7 2HH1 ARG 7 -7.027 6.278 -0.028 63 2HH1 ARG 7 1HH1 ARG 7 -7.587 4.707 0.441 64 1HH2 ARG 7 1HH2 ARG 7 -9.957 4.507 -2.083 65 2HH2 ARG 7 2HH2 ARG 7 -9.246 3.704 -0.723 66 H THR 8 H THR 8 -5.646 12.017 0.940 67 HA THR 8 HA THR 8 -7.282 13.412 -1.123 68 HB THR 8 HB THR 8 -6.181 14.275 1.561 69 HG1 THR 8 HG1 THR 8 -8.307 14.363 2.084 70 1HG2 THR 8 1HG2 THR 8 -7.314 16.458 1.079 71 2HG2 THR 8 2HG2 THR 8 -7.536 15.927 -0.587 72 3HG2 THR 8 3HG2 THR 8 -5.910 16.158 0.056 73 H ALA 9 H ALA 9 -4.097 12.542 -0.515 74 HA ALA 9 HA ALA 9 -2.942 14.982 -1.738 75 1HB ALA 9 1HB ALA 9 -2.003 13.182 0.165 76 2HB ALA 9 2HB ALA 9 -1.041 14.399 -0.669 77 3HB ALA 9 3HB ALA 9 -1.109 12.750 -1.292 78 H ILE 10 H ILE 10 -1.105 14.358 -3.436 79 HA ILE 10 HA ILE 10 -2.476 12.693 -5.489 80 HB ILE 10 HB ILE 10 -0.115 14.532 -5.930 81 1HG1 ILE 10 2HG1 ILE 10 -2.407 15.832 -6.839 82 2HG1 ILE 10 1HG1 ILE 10 -2.891 15.182 -5.272 83 1HG2 ILE 10 1HG2 ILE 10 -1.408 12.699 -7.566 84 2HG2 ILE 10 2HG2 ILE 10 -0.419 14.051 -8.121 85 3HG2 ILE 10 3HG2 ILE 10 -2.170 14.231 -7.996 86 1HD1 ILE 10 1HD1 ILE 10 -1.169 16.339 -4.132 87 2HD1 ILE 10 2HD1 ILE 10 -1.782 17.515 -5.296 88 3HD1 ILE 10 3HD1 ILE 10 -0.278 16.651 -5.622 89 H ASN 11 H ASN 11 -1.551 10.873 -3.975 90 HA ASN 11 HA ASN 11 1.202 10.218 -3.880 91 1HB ASN 11 2HB ASN 11 -0.394 8.946 -2.583 92 2HB ASN 11 1HB ASN 11 -1.257 8.452 -4.037 93 1HD2 ASN 11 1HD2 ASN 11 2.267 8.463 -3.236 94 2HD2 ASN 11 2HD2 ASN 11 2.497 6.820 -3.599 95 H LYS 12 H LYS 12 2.590 9.882 -5.592 96 HA LYS 12 HA LYS 12 3.187 9.662 -7.891 97 1HB LYS 12 2HB LYS 12 2.023 7.099 -6.862 98 2HB LYS 12 1HB LYS 12 2.493 7.196 -8.560 99 1HG LYS 12 2HG LYS 12 4.478 6.474 -7.567 100 2HG LYS 12 1HG LYS 12 4.711 8.223 -7.598 101 1HD LYS 12 2HD LYS 12 4.916 8.228 -5.362 102 2HD LYS 12 1HD LYS 12 3.277 7.594 -5.220 103 1HE LYS 12 2HE LYS 12 4.697 6.018 -4.110 104 2HE LYS 12 1HE LYS 12 4.262 5.288 -5.655 105 1HZ LYS 12 1HZ LYS 12 6.345 5.532 -6.467 106 2HZ LYS 12 2HZ LYS 12 6.750 5.441 -4.820 107 3HZ LYS 12 3HZ LYS 12 6.656 6.951 -5.593 108 H THR 13 H THR 13 1.748 11.224 -8.906 109 HA THR 13 HA THR 13 -0.926 10.992 -9.558 110 HB THR 13 HB THR 13 0.856 11.809 -11.805 111 HG1 THR 13 HG1 THR 13 0.633 13.456 -9.544 112 1HG2 THR 13 1HG2 THR 13 -1.376 12.410 -12.139 113 2HG2 THR 13 2HG2 THR 13 -0.708 13.881 -11.431 114 3HG2 THR 13 3HG2 THR 13 -1.638 12.764 -10.431 115 H LYS 14 H LYS 14 -2.164 9.818 -11.032 116 HA LYS 14 HA LYS 14 -1.455 7.253 -11.825 117 1HB LYS 14 2HB LYS 14 -3.229 7.413 -13.545 118 2HB LYS 14 1HB LYS 14 -3.756 8.123 -12.019 119 1HG LYS 14 2HG LYS 14 -2.819 10.349 -13.034 120 2HG LYS 14 1HG LYS 14 -2.974 9.503 -14.574 121 1HD LYS 14 2HD LYS 14 -5.194 9.940 -12.553 122 2HD LYS 14 1HD LYS 14 -5.023 10.769 -14.100 123 1HE LYS 14 2HE LYS 14 -5.047 8.429 -15.167 124 2HE LYS 14 1HE LYS 14 -5.630 7.852 -13.604 125 1HZ LYS 14 1HZ LYS 14 -7.636 8.407 -14.356 126 2HZ LYS 14 2HZ LYS 14 -7.011 9.325 -15.641 127 3HZ LYS 14 3HZ LYS 14 -7.181 10.021 -14.100 128 H LYS 15 H LYS 15 -1.118 10.233 -13.780 129 HA LYS 15 HA LYS 15 0.169 8.907 -15.987 130 1HB LYS 15 2HB LYS 15 1.064 11.330 -16.393 131 2HB LYS 15 1HB LYS 15 -0.667 11.029 -16.537 132 1HG LYS 15 2HG LYS 15 -1.162 12.114 -14.546 133 2HG LYS 15 1HG LYS 15 0.434 11.805 -13.861 134 1HD LYS 15 2HD LYS 15 1.322 13.689 -14.767 135 2HD LYS 15 1HD LYS 15 0.474 13.462 -16.296 136 1HE LYS 15 2HE LYS 15 -1.403 14.617 -15.589 137 2HE LYS 15 1HE LYS 15 -1.133 14.222 -13.890 138 1HZ LYS 15 1HZ LYS 15 0.197 16.273 -15.544 139 2HZ LYS 15 2HZ LYS 15 0.944 15.669 -14.143 140 3HZ LYS 15 3HZ LYS 15 -0.561 16.449 -14.036 141 H ALA 16 H ALA 16 1.333 10.419 -13.012 142 HA ALA 16 HA ALA 16 4.138 9.865 -13.760 143 1HB ALA 16 1HB ALA 16 3.914 11.935 -12.612 144 2HB ALA 16 2HB ALA 16 4.525 10.823 -11.386 145 3HB ALA 16 3HB ALA 16 2.813 11.246 -11.419 146 H ASP 17 H ASP 17 1.917 7.831 -13.117 147 HA ASP 17 HA ASP 17 2.794 6.514 -10.665 148 1HB ASP 17 2HB ASP 17 0.494 6.265 -11.453 149 2HB ASP 17 1HB ASP 17 1.064 5.563 -12.967 150 H VAL 18 H VAL 18 3.487 6.247 -14.107 151 HA VAL 18 HA VAL 18 5.207 3.880 -13.613 152 HB VAL 18 HB VAL 18 4.609 5.303 -16.219 153 1HG1 VAL 18 1HG1 VAL 18 5.459 3.282 -17.255 154 2HG1 VAL 18 2HG1 VAL 18 5.645 2.509 -15.680 155 3HG1 VAL 18 3HG1 VAL 18 6.668 3.877 -16.118 156 1HG2 VAL 18 1HG2 VAL 18 3.054 3.395 -14.602 157 2HG2 VAL 18 2HG2 VAL 18 3.273 2.903 -16.281 158 3HG2 VAL 18 3HG2 VAL 18 2.524 4.455 -15.907 159 H LYS 19 H LYS 19 5.408 7.274 -13.769 160 HA LYS 19 HA LYS 19 8.224 7.280 -14.681 161 1HB LYS 19 2HB LYS 19 8.068 9.629 -14.765 162 2HB LYS 19 1HB LYS 19 6.445 9.108 -15.214 163 1HG LYS 19 2HG LYS 19 5.706 9.419 -12.871 164 2HG LYS 19 1HG LYS 19 7.325 9.966 -12.441 165 1HD LYS 19 2HD LYS 19 6.780 11.575 -14.584 166 2HD LYS 19 1HD LYS 19 5.179 11.404 -13.868 167 1HE LYS 19 2HE LYS 19 5.775 12.970 -12.361 168 2HE LYS 19 1HE LYS 19 6.900 11.790 -11.688 169 1HZ LYS 19 1HZ LYS 19 8.052 12.870 -13.992 170 2HZ LYS 19 2HZ LYS 19 8.566 13.042 -12.381 171 3HZ LYS 19 3HZ LYS 19 7.485 14.165 -13.056 172 H ALA 20 H ALA 20 6.328 7.753 -11.742 173 HA ALA 20 HA ALA 20 8.584 8.474 -10.073 174 1HB ALA 20 1HB ALA 20 6.409 7.152 -8.659 175 2HB ALA 20 2HB ALA 20 5.800 8.373 -9.777 176 3HB ALA 20 3HB ALA 20 6.968 8.821 -8.534 177 H ILE 21 H ILE 21 7.445 5.527 -11.416 178 HA ILE 21 HA ILE 21 8.547 3.803 -9.334 179 HB ILE 21 HB ILE 21 7.590 3.280 -12.163 180 1HG1 ILE 21 2HG1 ILE 21 5.569 2.730 -11.253 181 2HG1 ILE 21 1HG1 ILE 21 6.299 1.975 -9.844 182 1HG2 ILE 21 1HG2 ILE 21 8.355 1.155 -12.072 183 2HG2 ILE 21 2HG2 ILE 21 7.870 0.968 -10.387 184 3HG2 ILE 21 3HG2 ILE 21 9.414 1.715 -10.780 185 1HD1 ILE 21 1HD1 ILE 21 5.009 3.943 -9.164 186 2HD1 ILE 21 2HD1 ILE 21 5.928 4.956 -10.278 187 3HD1 ILE 21 3HD1 ILE 21 6.726 4.230 -8.883 188 H ALA 22 H ALA 22 9.689 5.191 -12.381 189 HA ALA 22 HA ALA 22 12.166 3.582 -12.230 190 1HB ALA 22 1HB ALA 22 12.661 4.389 -14.391 191 2HB ALA 22 2HB ALA 22 11.638 5.810 -14.191 192 3HB ALA 22 3HB ALA 22 10.906 4.219 -14.401 193 H ASP 23 H ASP 23 11.059 6.846 -11.579 194 HA ASP 23 HA ASP 23 13.830 7.775 -11.125 195 1HB ASP 23 2HB ASP 23 12.036 9.182 -12.296 196 2HB ASP 23 1HB ASP 23 11.293 9.367 -10.707 197 H ALA 24 H ALA 24 11.152 6.537 -9.309 198 HA ALA 24 HA ALA 24 12.207 7.730 -6.812 199 1HB ALA 24 1HB ALA 24 10.253 6.895 -5.722 200 2HB ALA 24 2HB ALA 24 9.898 5.796 -7.054 201 3HB ALA 24 3HB ALA 24 9.713 7.535 -7.274 202 H TRP 25 H TRP 25 12.151 6.001 -4.923 203 HA TRP 25 HA TRP 25 13.171 4.172 -3.925 204 1HB TRP 25 2HB TRP 25 13.686 2.651 -6.398 205 2HB TRP 25 1HB TRP 25 13.049 2.113 -4.868 206 HD1 TRP 25 HD1 TRP 25 10.650 4.691 -5.791 207 HE1 TRP 25 HE1 TRP 25 8.716 3.740 -7.152 208 HE3 TRP 25 HE3 TRP 25 12.513 0.079 -6.955 209 HZ2 TRP 25 HZ2 TRP 25 8.038 1.350 -8.539 210 HZ3 TRP 25 HZ3 TRP 25 11.166 -1.499 -8.277 211 HH2 TRP 25 HH2 TRP 25 8.934 -0.859 -9.077 212 H GLN 26 H GLN 26 15.232 2.538 -5.480 213 HA GLN 26 HA GLN 26 17.390 4.555 -5.259 214 1HB GLN 26 2HB GLN 26 17.427 2.220 -4.155 215 2HB GLN 26 1HB GLN 26 17.736 1.602 -5.776 216 1HG GLN 26 2HG GLN 26 19.852 1.994 -4.563 217 2HG GLN 26 1HG GLN 26 19.718 3.053 -5.966 218 1HE2 GLN 26 1HE2 GLN 26 19.833 5.292 -5.588 219 2HE2 GLN 26 2HE2 GLN 26 19.823 6.001 -4.046 220 H ILE 27 H ILE 27 16.508 5.502 -7.423 221 HA ILE 27 HA ILE 27 17.457 3.872 -9.734 222 HB ILE 27 HB ILE 27 15.541 4.594 -10.695 223 1HG1 ILE 27 2HG1 ILE 27 17.225 6.301 -11.609 224 2HG1 ILE 27 1HG1 ILE 27 15.520 6.725 -11.745 225 1HG2 ILE 27 1HG2 ILE 27 15.110 6.890 -8.819 226 2HG2 ILE 27 2HG2 ILE 27 14.927 5.239 -8.245 227 3HG2 ILE 27 3HG2 ILE 27 13.940 5.814 -9.576 228 1HD1 ILE 27 1HD1 ILE 27 17.247 8.486 -10.803 229 2HD1 ILE 27 2HD1 ILE 27 17.032 7.588 -9.302 230 3HD1 ILE 27 3HD1 ILE 27 15.646 8.344 -10.081 231 H ASN 28 H ASN 28 18.311 6.526 -7.752 232 HA ASN 28 HA ASN 28 20.785 6.907 -9.237 233 1HB ASN 28 2HB ASN 28 19.067 8.302 -10.503 234 2HB ASN 28 1HB ASN 28 18.943 9.301 -9.055 235 1HD2 ASN 28 1HD2 ASN 28 21.320 9.940 -8.183 236 2HD2 ASN 28 2HD2 ASN 28 22.388 10.479 -9.385 237 H GLY 29 H GLY 29 18.573 8.148 -6.750 238 1HA GLY 29 2HA GLY 29 19.307 8.256 -4.413 239 2HA GLY 29 1HA GLY 29 20.951 8.530 -4.992 240 H GLU 30 H GLU 30 19.891 10.403 -7.085 241 HA GLU 30 HA GLU 30 19.479 12.751 -5.287 242 1HB GLU 30 2HB GLU 30 21.582 12.863 -6.535 243 2HB GLU 30 1HB GLU 30 20.719 12.595 -8.049 244 1HG GLU 30 2HG GLU 30 20.264 14.789 -8.222 245 2HG GLU 30 1HG GLU 30 19.494 14.782 -6.636 246 H LYS 31 H LYS 31 18.360 11.052 -8.147 247 HA LYS 31 HA LYS 31 16.296 13.099 -8.682 248 1HB LYS 31 2HB LYS 31 17.210 10.577 -10.056 249 2HB LYS 31 1HB LYS 31 15.649 11.294 -10.464 250 1HG LYS 31 2HG LYS 31 16.732 12.719 -11.830 251 2HG LYS 31 1HG LYS 31 17.471 13.441 -10.402 252 1HD LYS 31 2HD LYS 31 19.197 11.538 -10.537 253 2HD LYS 31 1HD LYS 31 18.573 11.246 -12.161 254 1HE LYS 31 2HE LYS 31 19.022 14.067 -11.815 255 2HE LYS 31 1HE LYS 31 20.483 13.188 -11.368 256 1HZ LYS 31 1HZ LYS 31 19.288 13.546 -13.949 257 2HZ LYS 31 2HZ LYS 31 19.631 11.917 -13.610 258 3HZ LYS 31 3HZ LYS 31 20.868 13.079 -13.543 259 H GLU 32 H GLU 32 16.648 9.997 -7.122 260 HA GLU 32 HA GLU 32 13.747 9.539 -7.012 261 1HB GLU 32 2HB GLU 32 14.359 7.591 -5.589 262 2HB GLU 32 1HB GLU 32 15.227 7.587 -7.121 263 1HG GLU 32 2HG GLU 32 17.035 7.260 -5.749 264 2HG GLU 32 1HG GLU 32 16.967 9.017 -5.621 265 H LEU 33 H LEU 33 16.157 11.139 -5.115 266 HA LEU 33 HA LEU 33 14.681 11.047 -2.614 267 1HB LEU 33 2HB LEU 33 16.294 12.593 -1.786 268 2HB LEU 33 1HB LEU 33 17.186 11.563 -2.904 269 HG LEU 33 HG LEU 33 16.522 13.390 -4.675 270 1HD1 LEU 33 1HD1 LEU 33 16.772 15.603 -3.048 271 2HD1 LEU 33 2HD1 LEU 33 15.707 14.560 -2.104 272 3HD1 LEU 33 3HD1 LEU 33 15.257 15.028 -3.744 273 1HD2 LEU 33 1HD2 LEU 33 18.803 12.800 -3.414 274 2HD2 LEU 33 2HD2 LEU 33 18.536 14.393 -2.706 275 3HD2 LEU 33 3HD2 LEU 33 18.670 14.218 -4.455 276 H GLU 34 H GLU 34 14.699 13.088 -5.461 277 HA GLU 34 HA GLU 34 13.264 15.301 -4.377 278 1HB GLU 34 2HB GLU 34 14.545 15.061 -6.632 279 2HB GLU 34 1HB GLU 34 13.024 14.399 -7.238 280 1HG GLU 34 2HG GLU 34 11.860 16.389 -6.880 281 2HG GLU 34 1HG GLU 34 13.025 16.947 -5.680 282 H LEU 35 H LEU 35 12.066 12.583 -6.431 283 HA LEU 35 HA LEU 35 9.379 13.192 -6.389 284 1HB LEU 35 2HB LEU 35 10.540 11.142 -7.456 285 2HB LEU 35 1HB LEU 35 10.304 10.354 -5.900 286 HG LEU 35 HG LEU 35 8.480 10.267 -7.925 287 1HD1 LEU 35 1HD1 LEU 35 7.832 10.316 -4.962 288 2HD1 LEU 35 2HD1 LEU 35 8.447 8.924 -5.847 289 3HD1 LEU 35 3HD1 LEU 35 6.848 9.568 -6.217 290 1HD2 LEU 35 1HD2 LEU 35 7.607 12.523 -6.090 291 2HD2 LEU 35 2HD2 LEU 35 6.606 11.764 -7.326 292 3HD2 LEU 35 3HD2 LEU 35 8.029 12.695 -7.794 293 H LEU 36 H LEU 36 10.970 11.110 -3.936 294 HA LEU 36 HA LEU 36 8.730 11.041 -2.192 295 1HB LEU 36 2HB LEU 36 10.975 9.661 -2.189 296 2HB LEU 36 1HB LEU 36 11.547 10.969 -1.148 297 HG LEU 36 HG LEU 36 10.546 9.079 0.144 298 1HD1 LEU 36 1HD1 LEU 36 10.329 11.730 0.614 299 2HD1 LEU 36 2HD1 LEU 36 9.599 10.532 1.682 300 3HD1 LEU 36 3HD1 LEU 36 8.623 11.337 0.463 301 1HD2 LEU 36 1HD2 LEU 36 7.878 9.969 -0.907 302 2HD2 LEU 36 2HD2 LEU 36 8.322 8.427 -0.178 303 3HD2 LEU 36 3HD2 LEU 36 8.814 8.798 -1.831 304 H GLN 37 H GLN 37 11.271 13.388 -2.678 305 HA GLN 37 HA GLN 37 11.188 14.841 -0.305 306 1HB GLN 37 2HB GLN 37 12.491 15.302 -2.521 307 2HB GLN 37 1HB GLN 37 11.079 16.259 -2.964 308 1HG GLN 37 2HG GLN 37 11.350 17.686 -1.041 309 2HG GLN 37 1HG GLN 37 12.608 16.641 -0.379 310 1HE2 GLN 37 1HE2 GLN 37 14.143 16.153 -2.719 311 2HE2 GLN 37 2HE2 GLN 37 14.825 17.613 -3.247 312 H GLN 38 H GLN 38 8.688 14.371 -2.631 313 HA GLN 38 HA GLN 38 6.878 16.013 -0.960 314 1HB GLN 38 2HB GLN 38 7.851 17.008 -3.323 315 2HB GLN 38 1HB GLN 38 6.378 16.204 -3.863 316 1HG GLN 38 2HG GLN 38 5.020 17.485 -2.367 317 2HG GLN 38 1HG GLN 38 6.430 18.094 -1.501 318 1HE2 GLN 38 1HE2 GLN 38 6.532 17.853 -5.012 319 2HE2 GLN 38 2HE2 GLN 38 6.446 19.521 -5.316 320 H ILE 39 H ILE 39 7.482 13.018 -1.920 321 HA ILE 39 HA ILE 39 4.675 12.461 -2.699 322 HB ILE 39 HB ILE 39 7.236 11.174 -3.465 323 1HG1 ILE 39 2HG1 ILE 39 6.136 12.771 -4.971 324 2HG1 ILE 39 1HG1 ILE 39 6.057 11.154 -5.654 325 1HG2 ILE 39 1HG2 ILE 39 4.543 9.768 -3.505 326 2HG2 ILE 39 2HG2 ILE 39 5.891 9.338 -2.452 327 3HG2 ILE 39 3HG2 ILE 39 6.043 9.152 -4.199 328 1HD1 ILE 39 1HD1 ILE 39 3.832 11.224 -5.706 329 2HD1 ILE 39 2HD1 ILE 39 3.895 12.884 -5.127 330 3HD1 ILE 39 3HD1 ILE 39 3.769 11.551 -3.977 331 H ALA 40 H ALA 40 7.046 11.757 -0.210 332 HA ALA 40 HA ALA 40 5.551 9.401 0.759 333 1HB ALA 40 1HB ALA 40 7.743 11.042 2.060 334 2HB ALA 40 2HB ALA 40 7.916 9.455 1.313 335 3HB ALA 40 3HB ALA 40 6.999 9.631 2.803 336 H GLN 41 H GLN 41 4.994 12.618 0.710 337 HA GLN 41 HA GLN 41 3.635 12.618 3.351 338 1HB GLN 41 2HB GLN 41 4.043 15.017 1.590 339 2HB GLN 41 1HB GLN 41 3.887 14.958 3.348 340 1HG GLN 41 2HG GLN 41 6.089 14.044 3.617 341 2HG GLN 41 1HG GLN 41 6.201 13.640 1.914 342 1HE2 GLN 41 1HE2 GLN 41 7.668 14.955 0.946 343 2HE2 GLN 41 2HE2 GLN 41 7.808 16.622 1.205 344 H LYS 42 H LYS 42 3.161 12.286 0.060 345 HA LYS 42 HA LYS 42 0.248 12.816 0.408 346 1HB LYS 42 2HB LYS 42 0.453 13.239 -2.206 347 2HB LYS 42 1HB LYS 42 0.761 14.530 -1.045 348 1HG LYS 42 2HG LYS 42 3.000 14.561 -1.468 349 2HG LYS 42 1HG LYS 42 3.088 12.811 -1.674 350 1HD LYS 42 2HD LYS 42 3.518 14.022 -3.789 351 2HD LYS 42 1HD LYS 42 2.097 12.986 -3.890 352 1HE LYS 42 2HE LYS 42 1.563 15.150 -4.878 353 2HE LYS 42 1HE LYS 42 0.671 14.976 -3.367 354 1HZ LYS 42 1HZ LYS 42 3.290 16.125 -3.048 355 2HZ LYS 42 2HZ LYS 42 1.795 16.636 -2.424 356 3HZ LYS 42 3HZ LYS 42 2.252 17.067 -4.002 357 HA PRO 43 HA PRO 43 1.178 8.619 -1.721 358 1HB PRO 43 2HB PRO 43 1.658 6.915 0.348 359 2HB PRO 43 1HB PRO 43 2.952 7.741 -0.541 360 1HG PRO 43 2HG PRO 43 1.877 8.324 2.178 361 2HG PRO 43 1HG PRO 43 3.479 8.587 1.504 362 1HD PRO 43 2HD PRO 43 1.552 10.594 1.850 363 2HD PRO 43 1HD PRO 43 3.004 10.687 0.835 364 H GLY 44 H GLY 44 -1.152 9.966 -0.645 365 1HA GLY 44 2HA GLY 44 -2.739 8.556 1.146 366 2HA GLY 44 1HA GLY 44 -3.404 9.361 -0.281 367 H ALA 45 H ALA 45 -1.594 7.550 -1.993 368 HA ALA 45 HA ALA 45 -3.183 5.047 -1.673 369 1HB ALA 45 1HB ALA 45 -4.174 5.393 -3.652 370 2HB ALA 45 2HB ALA 45 -2.601 5.514 -4.439 371 3HB ALA 45 3HB ALA 45 -3.365 6.955 -3.770 372 H LEU 46 H LEU 46 -0.057 6.106 -1.482 373 HA LEU 46 HA LEU 46 1.484 4.647 -3.281 374 1HB LEU 46 2HB LEU 46 2.684 5.912 -1.684 375 2HB LEU 46 1HB LEU 46 1.833 5.180 -0.332 376 HG LEU 46 HG LEU 46 4.317 4.482 -0.893 377 1HD1 LEU 46 1HD1 LEU 46 2.116 2.535 -0.178 378 2HD1 LEU 46 2HD1 LEU 46 3.074 3.513 0.926 379 3HD1 LEU 46 3HD1 LEU 46 3.834 2.206 0.021 380 1HD2 LEU 46 1HD2 LEU 46 3.416 2.124 -2.285 381 2HD2 LEU 46 2HD2 LEU 46 4.678 3.259 -2.744 382 3HD2 LEU 46 3HD2 LEU 46 3.012 3.552 -3.234 383 H ARG 47 H ARG 47 -0.279 3.445 -0.455 384 HA ARG 47 HA ARG 47 0.620 0.813 -0.303 385 1HB ARG 47 2HB ARG 47 -1.171 1.977 1.104 386 2HB ARG 47 1HB ARG 47 -2.310 1.506 -0.158 387 1HG ARG 47 2HG ARG 47 -0.901 -0.834 0.308 388 2HG ARG 47 1HG ARG 47 -1.058 -0.136 1.921 389 1HD ARG 47 2HD ARG 47 -3.567 0.286 0.977 390 2HD ARG 47 1HD ARG 47 -3.153 -1.191 0.107 391 HE ARG 47 HE ARG 47 -3.225 -0.928 3.078 392 1HH1 ARG 47 2HH1 ARG 47 -4.924 -2.604 0.984 393 2HH1 ARG 47 1HH1 ARG 47 -4.368 -4.191 1.398 394 1HH2 ARG 47 1HH2 ARG 47 -1.686 -3.051 3.273 395 2HH2 ARG 47 2HH2 ARG 47 -2.537 -4.444 2.694 396 H ILE 48 H ILE 48 -1.979 2.011 -2.469 397 HA ILE 48 HA ILE 48 -2.722 -0.390 -3.671 398 HB ILE 48 HB ILE 48 -2.404 2.378 -4.844 399 1HG1 ILE 48 2HG1 ILE 48 -5.060 1.448 -4.908 400 2HG1 ILE 48 1HG1 ILE 48 -4.419 0.919 -3.352 401 1HG2 ILE 48 1HG2 ILE 48 -3.091 -0.208 -6.181 402 2HG2 ILE 48 2HG2 ILE 48 -2.266 1.208 -6.836 403 3HG2 ILE 48 3HG2 ILE 48 -4.018 1.224 -6.632 404 1HD1 ILE 48 1HD1 ILE 48 -5.271 3.530 -4.078 405 2HD1 ILE 48 2HD1 ILE 48 -3.523 3.597 -3.865 406 3HD1 ILE 48 3HD1 ILE 48 -4.548 3.017 -2.552 407 H LEU 49 H LEU 49 -0.293 1.787 -5.155 408 HA LEU 49 HA LEU 49 0.802 -0.402 -6.737 409 1HB LEU 49 2HB LEU 49 2.455 2.037 -6.300 410 2HB LEU 49 1HB LEU 49 2.051 1.217 -7.807 411 HG LEU 49 HG LEU 49 -0.407 2.126 -7.075 412 1HD1 LEU 49 1HD1 LEU 49 0.981 4.632 -6.565 413 2HD1 LEU 49 2HD1 LEU 49 1.336 3.438 -5.315 414 3HD1 LEU 49 3HD1 LEU 49 -0.336 3.884 -5.661 415 1HD2 LEU 49 1HD2 LEU 49 1.719 2.916 -8.916 416 2HD2 LEU 49 2HD2 LEU 49 0.686 4.276 -8.479 417 3HD2 LEU 49 3HD2 LEU 49 -0.020 2.826 -9.190 418 H ASN 50 H ASN 50 1.076 0.433 -3.511 419 HA ASN 50 HA ASN 50 3.880 -0.044 -3.040 420 1HB ASN 50 2HB ASN 50 2.330 1.029 -1.360 421 2HB ASN 50 1HB ASN 50 1.577 -0.544 -1.128 422 1HD2 ASN 50 1HD2 ASN 50 5.070 0.139 -1.608 423 2HD2 ASN 50 2HD2 ASN 50 5.552 -0.485 -0.105 424 H HIS 51 H HIS 51 1.084 -2.057 -3.518 425 HA HIS 51 HA HIS 51 1.767 -4.486 -2.376 426 1HB HIS 51 2HB HIS 51 -0.245 -4.133 -3.781 427 2HB HIS 51 1HB HIS 51 0.775 -4.027 -5.214 428 HD1 HIS 51 HD1 HIS 51 0.342 -6.537 -2.355 429 HD2 HIS 51 HD2 HIS 51 0.879 -6.445 -6.484 430 HE1 HIS 51 HE1 HIS 51 0.319 -8.948 -3.133 431 H SER 52 H SER 52 3.321 -2.789 -5.020 432 HA SER 52 HA SER 52 5.477 -4.826 -4.919 433 1HB SER 52 2HB SER 52 3.779 -4.740 -6.988 434 2HB SER 52 1HB SER 52 4.911 -3.511 -7.521 435 HG SER 52 HG SER 52 5.242 -6.239 -7.203 436 H LEU 53 H LEU 53 4.613 -1.620 -4.496 437 HA LEU 53 HA LEU 53 7.122 -0.499 -5.550 438 1HB LEU 53 2HB LEU 53 4.593 0.623 -4.842 439 2HB LEU 53 1HB LEU 53 5.807 1.354 -3.798 440 HG LEU 53 HG LEU 53 7.076 2.151 -5.640 441 1HD1 LEU 53 1HD1 LEU 53 5.461 0.149 -7.199 442 2HD1 LEU 53 2HD1 LEU 53 7.209 0.307 -7.092 443 3HD1 LEU 53 3HD1 LEU 53 6.276 1.479 -8.016 444 1HD2 LEU 53 1HD2 LEU 53 4.862 2.811 -7.229 445 2HD2 LEU 53 2HD2 LEU 53 5.515 3.763 -5.896 446 3HD2 LEU 53 3HD2 LEU 53 4.204 2.619 -5.604 447 H ARG 54 H ARG 54 5.866 -1.804 -2.655 448 HA ARG 54 HA ARG 54 7.541 -0.655 -0.701 449 1HB ARG 54 2HB ARG 54 5.748 -2.448 -0.354 450 2HB ARG 54 1HB ARG 54 6.929 -3.624 -0.928 451 1HG ARG 54 2HG ARG 54 8.210 -3.471 0.971 452 2HG ARG 54 1HG ARG 54 7.847 -1.760 1.202 453 1HD ARG 54 2HD ARG 54 6.806 -3.189 2.956 454 2HD ARG 54 1HD ARG 54 5.607 -2.308 2.010 455 HE ARG 54 HE ARG 54 6.211 -5.030 1.061 456 1HH1 ARG 54 2HH1 ARG 54 3.687 -3.150 0.878 457 2HH1 ARG 54 1HH1 ARG 54 2.563 -4.102 1.790 458 1HH2 ARG 54 1HH2 ARG 54 4.997 -6.176 3.129 459 2HH2 ARG 54 2HH2 ARG 54 3.304 -5.813 3.063 460 H LEU 55 H LEU 55 8.221 -2.700 -3.423 461 HA LEU 55 HA LEU 55 10.741 -3.803 -2.736 462 1HB LEU 55 2HB LEU 55 9.117 -3.541 -5.077 463 2HB LEU 55 1HB LEU 55 10.741 -2.990 -5.485 464 HG LEU 55 HG LEU 55 10.334 -5.486 -5.781 465 1HD1 LEU 55 1HD1 LEU 55 12.495 -5.868 -4.150 466 2HD1 LEU 55 2HD1 LEU 55 12.518 -4.115 -4.340 467 3HD1 LEU 55 3HD1 LEU 55 12.586 -5.156 -5.762 468 1HD2 LEU 55 1HD2 LEU 55 10.851 -6.023 -2.957 469 2HD2 LEU 55 2HD2 LEU 55 9.649 -6.746 -4.027 470 3HD2 LEU 55 3HD2 LEU 55 9.294 -5.231 -3.197 471 H ALA 56 H ALA 56 9.885 -0.703 -4.210 472 HA ALA 56 HA ALA 56 12.091 0.562 -4.982 473 1HB ALA 56 1HB ALA 56 11.361 2.607 -3.640 474 2HB ALA 56 2HB ALA 56 10.120 1.578 -2.926 475 3HB ALA 56 3HB ALA 56 10.124 1.878 -4.664 476 H ALA 57 H ALA 57 11.472 -0.238 -1.576 477 HA ALA 57 HA ALA 57 14.161 0.748 -0.816 478 1HB ALA 57 1HB ALA 57 13.458 0.513 1.440 479 2HB ALA 57 2HB ALA 57 12.165 -0.606 1.004 480 3HB ALA 57 3HB ALA 57 12.029 1.104 0.591 481 H MET 58 H MET 58 12.289 -2.273 -0.989 482 HA MET 58 HA MET 58 14.227 -4.029 0.126 483 1HB MET 58 2HB MET 58 11.747 -4.275 -1.219 484 2HB MET 58 1HB MET 58 12.898 -5.277 -2.104 485 1HG MET 58 2HG MET 58 13.239 -6.699 -0.328 486 2HG MET 58 1HG MET 58 12.973 -5.434 0.871 487 1HE MET 58 1HE MET 58 11.451 -8.725 0.417 488 2HE MET 58 2HE MET 58 11.913 -8.137 -1.177 489 3HE MET 58 3HE MET 58 10.221 -8.486 -0.833 490 H THR 59 H THR 59 16.303 -3.315 -0.634 491 HA THR 59 HA THR 59 16.831 -3.541 -3.538 492 HB THR 59 HB THR 59 17.812 -1.684 -2.098 493 HG1 THR 59 HG1 THR 59 19.704 -1.759 -3.219 494 1HG2 THR 59 1HG2 THR 59 20.047 -3.264 -1.172 495 2HG2 THR 59 2HG2 THR 59 18.540 -3.888 -0.498 496 3HG2 THR 59 3HG2 THR 59 18.983 -2.199 -0.250 497 H ALA 60 H ALA 60 16.204 -5.830 -1.601 498 HA ALA 60 HA ALA 60 18.518 -7.519 -2.422 499 1HB ALA 60 1HB ALA 60 17.464 -7.027 0.313 500 2HB ALA 60 2HB ALA 60 19.096 -7.451 -0.204 501 3HB ALA 60 3HB ALA 60 17.855 -8.699 -0.085 502 H HIS 61 H HIS 61 15.563 -7.047 -3.224 503 HA HIS 61 HA HIS 61 13.793 -9.046 -2.629 504 1HB HIS 61 2HB HIS 61 13.669 -7.304 -4.530 505 2HB HIS 61 1HB HIS 61 14.465 -8.522 -5.525 506 HD1 HIS 61 HD1 HIS 61 12.661 -10.581 -3.402 507 HD2 HIS 61 HD2 HIS 61 11.444 -8.037 -6.475 508 HE1 HIS 61 HE1 HIS 61 10.373 -11.381 -4.134 509 H GLY 62 H GLY 62 15.939 -9.636 -5.430 510 1HA GLY 62 2HA GLY 62 17.347 -11.547 -5.769 511 2HA GLY 62 1HA GLY 62 16.674 -12.268 -4.306 512 H LYS 63 H LYS 63 13.989 -11.242 -5.667 513 HA LYS 63 HA LYS 63 13.546 -13.812 -7.098 514 1HB LYS 63 2HB LYS 63 12.073 -12.488 -5.153 515 2HB LYS 63 1HB LYS 63 11.212 -12.110 -6.646 516 1HG LYS 63 2HG LYS 63 12.035 -14.911 -5.829 517 2HG LYS 63 1HG LYS 63 10.431 -14.234 -5.548 518 1HD LYS 63 2HD LYS 63 9.972 -14.068 -7.869 519 2HD LYS 63 1HD LYS 63 11.669 -14.278 -8.300 520 1HE LYS 63 2HE LYS 63 9.846 -16.376 -7.090 521 2HE LYS 63 1HE LYS 63 10.483 -16.360 -8.734 522 1HZ LYS 63 1HZ LYS 63 12.752 -16.297 -7.605 523 2HZ LYS 63 2HZ LYS 63 11.905 -17.770 -7.586 524 3HZ LYS 63 3HZ LYS 63 11.937 -16.786 -6.201 525 H GLY 64 H GLY 64 13.530 -10.332 -7.494 526 1HA GLY 64 2HA GLY 64 13.709 -10.513 -10.354 527 2HA GLY 64 1HA GLY 64 12.065 -10.069 -9.891 528 H GLU 65 H GLU 65 15.403 -9.018 -9.939 529 HA GLU 65 HA GLU 65 14.525 -6.227 -9.753 530 1HB GLU 65 2HB GLU 65 16.241 -5.836 -7.856 531 2HB GLU 65 1HB GLU 65 14.693 -6.553 -7.411 532 1HG GLU 65 2HG GLU 65 15.614 -8.717 -7.213 533 2HG GLU 65 1HG GLU 65 17.059 -8.280 -8.125 534 H ARG 66 H ARG 66 15.614 -5.502 -11.543 535 HA ARG 66 HA ARG 66 18.049 -6.641 -12.507 536 1HB ARG 66 2HB ARG 66 16.653 -4.012 -13.046 537 2HB ARG 66 1HB ARG 66 18.149 -4.467 -13.853 538 1HG ARG 66 2HG ARG 66 16.469 -6.726 -14.029 539 2HG ARG 66 1HG ARG 66 15.455 -5.337 -14.420 540 1HD ARG 66 2HD ARG 66 17.101 -4.585 -16.088 541 2HD ARG 66 1HD ARG 66 18.141 -5.953 -15.688 542 HE ARG 66 HE ARG 66 15.542 -6.916 -16.419 543 1HH1 ARG 66 2HH1 ARG 66 15.034 -6.168 -18.769 544 2HH1 ARG 66 1HH1 ARG 66 16.319 -6.539 -19.870 545 1HH2 ARG 66 2HH2 ARG 66 18.370 -7.060 -19.080 546 2HH2 ARG 66 1HH2 ARG 66 18.658 -7.091 -17.373 547 H VAL 67 H VAL 67 18.686 -3.324 -12.444 548 HA VAL 67 HA VAL 67 20.006 -3.314 -9.822 549 HB VAL 67 HB VAL 67 21.831 -2.880 -12.163 550 1HG1 VAL 67 1HG1 VAL 67 23.155 -4.189 -10.118 551 2HG1 VAL 67 2HG1 VAL 67 21.975 -3.209 -9.249 552 3HG1 VAL 67 3HG1 VAL 67 23.119 -2.441 -10.350 553 1HG2 VAL 67 1HG2 VAL 67 20.741 -5.105 -12.514 554 2HG2 VAL 67 2HG2 VAL 67 21.267 -5.583 -10.900 555 3HG2 VAL 67 3HG2 VAL 67 22.461 -5.241 -12.151 556 H ASN 68 H ASN 68 19.978 -1.674 -13.018 557 HA ASN 68 HA ASN 68 20.310 0.917 -11.643 558 1HB ASN 68 2HB ASN 68 21.301 0.037 -13.989 559 2HB ASN 68 1HB ASN 68 19.824 0.807 -14.574 560 1HD2 ASN 68 1HD2 ASN 68 21.879 2.181 -15.488 561 2HD2 ASN 68 2HD2 ASN 68 22.254 3.549 -14.557 562 H GLU 69 H GLU 69 18.861 2.529 -13.454 563 HA GLU 69 HA GLU 69 16.432 2.969 -12.289 564 1HB GLU 69 2HB GLU 69 17.167 4.443 -14.033 565 2HB GLU 69 1HB GLU 69 17.130 3.147 -15.229 566 1HG GLU 69 2HG GLU 69 14.794 3.123 -15.330 567 2HG GLU 69 1HG GLU 69 14.620 3.876 -13.743 568 H ASP 70 H ASP 70 16.945 0.618 -14.941 569 HA ASP 70 HA ASP 70 14.276 -0.219 -15.238 570 1HB ASP 70 2HB ASP 70 16.370 -2.343 -15.162 571 2HB ASP 70 1HB ASP 70 15.067 -2.092 -16.321 572 H TYR 71 H TYR 71 16.732 -1.571 -13.016 573 HA TYR 71 HA TYR 71 15.635 -3.522 -11.586 574 1HB TYR 71 2HB TYR 71 17.523 -2.547 -10.561 575 2HB TYR 71 1HB TYR 71 16.773 -0.954 -10.497 576 HD1 TYR 71 HD1 TYR 71 16.689 -0.388 -8.237 577 HD2 TYR 71 HD2 TYR 71 15.380 -4.278 -9.493 578 HE1 TYR 71 HE1 TYR 71 15.824 -0.826 -5.953 579 HE2 TYR 71 HE2 TYR 71 14.519 -4.721 -7.207 580 HH TYR 71 HH TYR 71 15.273 -2.710 -4.532 581 H LEU 72 H LEU 72 14.585 -0.178 -10.995 582 HA LEU 72 HA LEU 72 12.592 -0.673 -9.152 583 1HB LEU 72 2HB LEU 72 12.325 1.283 -11.425 584 2HB LEU 72 1HB LEU 72 11.567 1.379 -9.838 585 HG LEU 72 HG LEU 72 14.462 1.752 -10.556 586 1HD1 LEU 72 1HD1 LEU 72 14.069 3.743 -9.073 587 2HD1 LEU 72 2HD1 LEU 72 12.379 3.265 -8.967 588 3HD1 LEU 72 3HD1 LEU 72 13.068 3.731 -10.524 589 1HD2 LEU 72 1HD2 LEU 72 13.438 1.472 -7.738 590 2HD2 LEU 72 2HD2 LEU 72 15.105 1.528 -8.281 591 3HD2 LEU 72 3HD2 LEU 72 14.128 0.102 -8.598 592 H ARG 73 H ARG 73 12.011 -0.385 -12.641 593 HA ARG 73 HA ARG 73 9.321 -1.369 -12.462 594 1HB ARG 73 2HB ARG 73 11.336 -1.303 -14.725 595 2HB ARG 73 1HB ARG 73 9.722 -1.980 -14.944 596 1HG ARG 73 2HG ARG 73 8.761 0.065 -15.006 597 2HG ARG 73 1HG ARG 73 9.673 0.620 -13.602 598 1HD ARG 73 2HD ARG 73 10.190 1.874 -15.732 599 2HD ARG 73 1HD ARG 73 11.597 1.138 -14.966 600 HE ARG 73 HE ARG 73 10.562 -0.733 -16.831 601 1HH1 ARG 73 2HH1 ARG 73 11.312 -0.793 -18.970 602 2HH1 ARG 73 1HH1 ARG 73 12.355 0.468 -19.539 603 1HH2 ARG 73 2HH2 ARG 73 12.867 2.206 -18.189 604 2HH2 ARG 73 1HH2 ARG 73 12.220 2.278 -16.585 605 H GLN 74 H GLN 74 12.355 -3.076 -13.240 606 HA GLN 74 HA GLN 74 11.203 -5.651 -13.520 607 1HB GLN 74 2HB GLN 74 13.656 -4.800 -13.995 608 2HB GLN 74 1HB GLN 74 13.937 -5.231 -12.314 609 1HG GLN 74 2HG GLN 74 14.472 -7.241 -13.328 610 2HG GLN 74 1HG GLN 74 12.754 -7.493 -13.022 611 1HE2 GLN 74 1HE2 GLN 74 12.638 -8.951 -14.919 612 2HE2 GLN 74 2HE2 GLN 74 12.639 -8.315 -16.492 613 H ALA 75 H ALA 75 11.507 -3.673 -10.837 614 HA ALA 75 HA ALA 75 11.666 -5.819 -8.852 615 1HB ALA 75 1HB ALA 75 12.610 -4.079 -7.735 616 2HB ALA 75 2HB ALA 75 11.003 -3.361 -7.633 617 3HB ALA 75 3HB ALA 75 12.072 -2.943 -8.969 618 H PHE 76 H PHE 76 9.453 -3.130 -9.543 619 HA PHE 76 HA PHE 76 7.257 -4.635 -8.297 620 1HB PHE 76 2HB PHE 76 6.415 -2.604 -7.695 621 2HB PHE 76 1HB PHE 76 8.040 -2.040 -8.030 622 HD1 PHE 76 HD1 PHE 76 8.285 -1.928 -10.872 623 HD2 PHE 76 HD2 PHE 76 4.850 -1.082 -8.444 624 HE1 PHE 76 HE1 PHE 76 7.371 -0.480 -12.661 625 HE2 PHE 76 HE2 PHE 76 3.933 0.371 -10.225 626 HZ PHE 76 HZ PHE 76 5.199 0.668 -12.354 627 H ARG 77 H ARG 77 8.361 -5.199 -11.064 628 HA ARG 77 HA ARG 77 5.729 -5.164 -12.420 629 1HB ARG 77 2HB ARG 77 7.886 -3.386 -13.125 630 2HB ARG 77 1HB ARG 77 7.613 -4.507 -14.443 631 1HG ARG 77 2HG ARG 77 5.551 -2.730 -13.119 632 2HG ARG 77 1HG ARG 77 6.159 -2.600 -14.770 633 1HD ARG 77 2HD ARG 77 5.198 -5.276 -14.312 634 2HD ARG 77 1HD ARG 77 3.943 -4.117 -13.871 635 HE ARG 77 HE ARG 77 5.274 -3.711 -16.482 636 1HH1 ARG 77 2HH1 ARG 77 2.531 -2.733 -15.315 637 2HH1 ARG 77 1HH1 ARG 77 1.451 -3.627 -16.334 638 1HH2 ARG 77 1HH2 ARG 77 3.909 -5.771 -17.510 639 2HH2 ARG 77 2HH2 ARG 77 2.232 -5.345 -17.578 640 H GLU 78 H GLU 78 9.095 -6.260 -12.389 641 HA GLU 78 HA GLU 78 8.885 -8.203 -14.446 642 1HB GLU 78 2HB GLU 78 10.995 -8.826 -13.795 643 2HB GLU 78 1HB GLU 78 10.901 -7.331 -12.879 644 1HG GLU 78 2HG GLU 78 11.568 -8.805 -11.214 645 2HG GLU 78 1HG GLU 78 9.815 -8.897 -11.040 646 H LEU 79 H LEU 79 7.380 -8.092 -11.386 647 HA LEU 79 HA LEU 79 6.975 -11.036 -11.344 648 1HB LEU 79 2HB LEU 79 6.181 -8.937 -9.309 649 2HB LEU 79 1HB LEU 79 6.054 -10.683 -9.099 650 HG LEU 79 HG LEU 79 8.668 -10.470 -9.808 651 1HD1 LEU 79 1HD1 LEU 79 9.674 -8.545 -8.799 652 2HD1 LEU 79 2HD1 LEU 79 8.149 -8.054 -8.060 653 3HD1 LEU 79 3HD1 LEU 79 8.359 -7.937 -9.806 654 1HD2 LEU 79 1HD2 LEU 79 7.745 -10.011 -6.962 655 2HD2 LEU 79 2HD2 LEU 79 9.156 -10.914 -7.512 656 3HD2 LEU 79 3HD2 LEU 79 7.537 -11.560 -7.779 657 H ASP 80 H ASP 80 4.804 -8.254 -10.610 658 HA ASP 80 HA ASP 80 2.981 -8.550 -12.697 659 1HB ASP 80 2HB ASP 80 1.241 -10.011 -11.428 660 2HB ASP 80 1HB ASP 80 2.551 -10.815 -12.301 661 H LEU 81 H LEU 81 2.942 -8.475 -9.133 662 HA LEU 81 HA LEU 81 2.140 -6.779 -7.737 663 1HB LEU 81 2HB LEU 81 0.769 -5.482 -10.082 664 2HB LEU 81 1HB LEU 81 1.320 -4.759 -8.581 665 HG LEU 81 HG LEU 81 2.896 -5.454 -11.026 666 1HD1 LEU 81 1HD1 LEU 81 3.862 -3.279 -9.411 667 2HD1 LEU 81 2HD1 LEU 81 2.115 -3.131 -9.608 668 3HD1 LEU 81 3HD1 LEU 81 3.158 -3.227 -11.027 669 1HD2 LEU 81 1HD2 LEU 81 4.835 -4.942 -9.127 670 2HD2 LEU 81 2HD2 LEU 81 4.458 -6.536 -9.773 671 3HD2 LEU 81 3HD2 LEU 81 3.734 -6.006 -8.260 672 H ASP 82 H ASP 82 0.919 -9.219 -8.013 673 HA ASP 82 HA ASP 82 -1.883 -8.482 -7.532 674 1HB ASP 82 2HB ASP 82 -2.835 -10.005 -9.094 675 2HB ASP 82 1HB ASP 82 -1.601 -9.122 -9.993 676 H VAL 83 H VAL 83 0.526 -11.050 -7.595 677 HA VAL 83 HA VAL 83 -0.488 -11.978 -4.977 678 HB VAL 83 HB VAL 83 -0.383 -13.696 -7.463 679 1HG1 VAL 83 1HG1 VAL 83 -1.185 -15.369 -5.452 680 2HG1 VAL 83 2HG1 VAL 83 0.030 -14.397 -4.621 681 3HG1 VAL 83 3HG1 VAL 83 0.463 -15.296 -6.075 682 1HG2 VAL 83 1HG2 VAL 83 -2.577 -13.104 -7.395 683 2HG2 VAL 83 2HG2 VAL 83 -2.460 -12.523 -5.735 684 3HG2 VAL 83 3HG2 VAL 83 -2.686 -14.243 -6.053 685 H ASP 84 H ASP 84 1.974 -12.225 -7.511 686 HA ASP 84 HA ASP 84 3.862 -13.781 -6.051 687 1HB ASP 84 2HB ASP 84 4.168 -11.711 -8.224 688 2HB ASP 84 1HB ASP 84 5.558 -12.539 -7.528 689 H ILE 85 H ILE 85 3.307 -10.281 -6.158 690 HA ILE 85 HA ILE 85 5.479 -9.816 -4.227 691 HB ILE 85 HB ILE 85 3.861 -7.496 -4.381 692 1HG1 ILE 85 2HG1 ILE 85 2.868 -8.590 -6.447 693 2HG1 ILE 85 1HG1 ILE 85 3.655 -7.046 -6.732 694 1HG2 ILE 85 1HG2 ILE 85 6.310 -7.613 -4.133 695 2HG2 ILE 85 2HG2 ILE 85 5.855 -6.570 -5.480 696 3HG2 ILE 85 3HG2 ILE 85 6.449 -8.201 -5.789 697 1HD1 ILE 85 1HD1 ILE 85 5.194 -7.965 -8.089 698 2HD1 ILE 85 2HD1 ILE 85 4.213 -9.430 -8.067 699 3HD1 ILE 85 3HD1 ILE 85 5.550 -9.247 -6.931 700 H SER 86 H SER 86 2.357 -10.922 -4.009 701 HA SER 86 HA SER 86 1.461 -9.466 -1.668 702 1HB SER 86 2HB SER 86 0.076 -10.880 -3.366 703 2HB SER 86 1HB SER 86 0.558 -12.254 -2.375 704 HG SER 86 HG SER 86 -0.189 -10.591 -0.621 705 H THR 87 H THR 87 0.757 -12.188 -0.339 706 HA THR 87 HA THR 87 3.321 -12.376 1.179 707 HB THR 87 HB THR 87 0.580 -13.474 1.894 708 HG1 THR 87 HG1 THR 87 0.799 -11.634 3.446 709 1HG2 THR 87 1HG2 THR 87 1.541 -13.698 4.136 710 2HG2 THR 87 2HG2 THR 87 3.068 -13.025 3.565 711 3HG2 THR 87 3HG2 THR 87 2.517 -14.591 2.969 712 H LEU 88 H LEU 88 1.053 -14.044 -0.795 713 HA LEU 88 HA LEU 88 1.906 -16.741 -0.389 714 1HB LEU 88 2HB LEU 88 0.313 -15.179 -2.350 715 2HB LEU 88 1HB LEU 88 0.952 -16.705 -2.921 716 HG LEU 88 HG LEU 88 -0.474 -17.932 -1.618 717 1HD1 LEU 88 1HD1 LEU 88 -0.006 -15.803 0.475 718 2HD1 LEU 88 2HD1 LEU 88 0.428 -17.512 0.534 719 3HD1 LEU 88 3HD1 LEU 88 -1.261 -17.025 0.677 720 1HD2 LEU 88 1HD2 LEU 88 -2.052 -15.478 -1.005 721 2HD2 LEU 88 2HD2 LEU 88 -2.577 -17.001 -1.724 722 3HD2 LEU 88 3HD2 LEU 88 -1.709 -15.816 -2.701 723 H LEU 89 H LEU 89 4.113 -17.119 -0.603 724 HA LEU 89 HA LEU 89 5.254 -16.626 -3.305 725 1HB LEU 89 2HB LEU 89 6.260 -15.560 -0.706 726 2HB LEU 89 1HB LEU 89 7.457 -16.131 -1.868 727 HG LEU 89 HG LEU 89 5.988 -14.710 -3.564 728 1HD1 LEU 89 1HD1 LEU 89 4.566 -13.193 -2.664 729 2HD1 LEU 89 2HD1 LEU 89 5.704 -12.766 -1.386 730 3HD1 LEU 89 3HD1 LEU 89 4.654 -14.169 -1.199 731 1HD2 LEU 89 1HD2 LEU 89 8.048 -13.779 -3.577 732 2HD2 LEU 89 2HD2 LEU 89 8.305 -14.172 -1.878 733 3HD2 LEU 89 3HD2 LEU 89 7.465 -12.687 -2.321 734 H ARG 90 H ARG 90 7.238 -17.625 -0.609 735 HA ARG 90 HA ARG 90 8.497 -19.614 -0.415 736 1HB ARG 90 2HB ARG 90 7.102 -21.533 0.112 737 2HB ARG 90 1HB ARG 90 6.342 -20.087 0.775 738 1HG ARG 90 2HG ARG 90 4.794 -19.976 -1.089 739 2HG ARG 90 1HG ARG 90 5.622 -21.301 -1.908 740 1HD ARG 90 2HD ARG 90 5.105 -22.691 0.199 741 2HD ARG 90 1HD ARG 90 3.975 -21.405 0.620 742 HE ARG 90 HE ARG 90 3.527 -22.303 -2.084 743 1HH1 ARG 90 2HH1 ARG 90 3.689 -24.162 0.680 744 2HH1 ARG 90 1HH1 ARG 90 2.034 -24.670 0.662 745 1HH2 ARG 90 1HH2 ARG 90 1.117 -22.496 -1.880 746 2HH2 ARG 90 2HH2 ARG 90 0.577 -23.726 -0.788 747 H ASN 91 HN ASN 91 8.055 -22.180 -1.472 748 HA ASN 91 HA ASN 91 8.828 -21.697 -4.281 749 1HB ASN 91 2HB ASN 91 9.641 -23.948 -4.282 750 2HB ASN 91 1HB ASN 91 10.086 -23.275 -2.715 751 1HD2 ASN 91 1HD2 ASN 91 8.612 -25.948 -4.169 752 2HD2 ASN 91 2HD2 ASN 91 7.762 -26.534 -2.822 Start of MODEL 18 1 1H GLY 1 1H GLY 1 -19.593 3.166 -5.626 2 2H GLY 1 2H GLY 1 -18.042 2.478 -5.551 3 3H GLY 1 3H GLY 1 -18.940 2.398 -6.991 4 1HA GLY 1 1HA GLY 1 -18.772 4.865 -7.064 5 2HA GLY 1 2HA GLY 1 -17.657 4.816 -5.665 6 H SER 2 H SER 2 -16.172 5.795 -7.266 7 HA SER 2 HA SER 2 -16.256 4.913 -10.110 8 1HB SER 2 2HB SER 2 -16.232 7.416 -9.279 9 2HB SER 2 1HB SER 2 -14.503 7.134 -9.108 10 HG SER 2 HG SER 2 -16.126 7.042 -11.411 11 H ARG 3 H ARG 3 -14.203 4.383 -11.168 12 HA ARG 3 HA ARG 3 -12.420 2.899 -9.343 13 1HB ARG 3 2HB ARG 3 -13.209 2.703 -12.124 14 2HB ARG 3 1HB ARG 3 -11.452 2.703 -11.982 15 1HG ARG 3 2HG ARG 3 -11.980 1.017 -9.982 16 2HG ARG 3 1HG ARG 3 -13.439 0.734 -10.932 17 1HD ARG 3 2HD ARG 3 -12.018 -0.815 -11.908 18 2HD ARG 3 1HD ARG 3 -11.700 0.585 -12.934 19 HE ARG 3 HE ARG 3 -9.715 -0.686 -11.442 20 1HH1 ARG 3 2HH1 ARG 3 -9.028 1.610 -13.157 21 2HH1 ARG 3 1HH1 ARG 3 -8.519 2.812 -12.017 22 1HH2 ARG 3 1HH2 ARG 3 -9.963 1.223 -9.296 23 2HH2 ARG 3 2HH2 ARG 3 -9.049 2.593 -9.834 24 H ILE 4 H ILE 4 -11.983 5.403 -8.669 25 HA ILE 4 HA ILE 4 -9.582 6.286 -10.221 26 HB ILE 4 HB ILE 4 -10.022 8.537 -9.205 27 1HG1 ILE 4 2HG1 ILE 4 -12.753 7.512 -8.464 28 2HG1 ILE 4 1HG1 ILE 4 -11.420 7.362 -7.317 29 1HG2 ILE 4 1HG2 ILE 4 -11.421 9.093 -10.929 30 2HG2 ILE 4 2HG2 ILE 4 -12.592 7.841 -10.519 31 3HG2 ILE 4 3HG2 ILE 4 -11.131 7.422 -11.414 32 1HD1 ILE 4 1HD1 ILE 4 -12.743 9.477 -7.034 33 2HD1 ILE 4 2HD1 ILE 4 -12.225 9.964 -8.647 34 3HD1 ILE 4 3HD1 ILE 4 -11.033 9.756 -7.364 35 H ALA 5 H ALA 5 -8.389 7.926 -8.368 36 HA ALA 5 HA ALA 5 -7.393 5.953 -6.416 37 1HB ALA 5 1HB ALA 5 -6.332 8.686 -6.242 38 2HB ALA 5 2HB ALA 5 -6.179 7.977 -7.850 39 3HB ALA 5 3HB ALA 5 -5.474 7.161 -6.455 40 H LYS 6 H LYS 6 -7.928 5.963 -4.277 41 HA LYS 6 HA LYS 6 -10.122 7.329 -3.225 42 1HB LYS 6 2HB LYS 6 -7.856 5.822 -2.130 43 2HB LYS 6 1HB LYS 6 -8.476 7.042 -1.017 44 1HG LYS 6 2HG LYS 6 -9.720 5.013 -0.626 45 2HG LYS 6 1HG LYS 6 -10.795 6.138 -1.457 46 1HD LYS 6 2HD LYS 6 -9.614 4.879 -3.576 47 2HD LYS 6 1HD LYS 6 -9.670 3.573 -2.392 48 1HE LYS 6 2HE LYS 6 -11.878 3.317 -2.731 49 2HE LYS 6 1HE LYS 6 -12.159 5.009 -2.319 50 1HZ LYS 6 1HZ LYS 6 -12.772 5.172 -4.449 51 2HZ LYS 6 2HZ LYS 6 -11.972 3.746 -4.909 52 3HZ LYS 6 3HZ LYS 6 -11.108 5.203 -4.779 53 H ARG 7 H ARG 7 -6.688 8.229 -2.705 54 HA ARG 7 HA ARG 7 -7.453 10.815 -1.591 55 1HB ARG 7 2HB ARG 7 -5.155 9.225 -1.537 56 2HB ARG 7 1HB ARG 7 -4.690 10.631 -2.496 57 1HG ARG 7 2HG ARG 7 -4.248 11.197 -0.207 58 2HG ARG 7 1HG ARG 7 -5.708 12.073 -0.664 59 1HD ARG 7 2HD ARG 7 -6.669 9.618 0.226 60 2HD ARG 7 1HD ARG 7 -5.359 9.985 1.347 61 HE ARG 7 HE ARG 7 -7.899 11.363 1.217 62 1HH1 ARG 7 2HH1 ARG 7 -7.636 13.763 1.451 63 2HH1 ARG 7 1HH1 ARG 7 -6.456 14.251 2.622 64 1HH2 ARG 7 2HH2 ARG 7 -4.978 12.747 3.433 65 2HH2 ARG 7 1HH2 ARG 7 -5.023 11.104 2.883 66 H THR 8 H THR 8 -5.909 12.704 -2.700 67 HA THR 8 HA THR 8 -6.371 12.621 -5.639 68 HB THR 8 HB THR 8 -7.241 14.885 -3.817 69 HG1 THR 8 HG1 THR 8 -9.288 14.234 -4.351 70 1HG2 THR 8 1HG2 THR 8 -6.997 16.131 -5.680 71 2HG2 THR 8 2HG2 THR 8 -8.343 15.212 -6.355 72 3HG2 THR 8 3HG2 THR 8 -6.683 14.707 -6.673 73 H ALA 9 H ALA 9 -4.130 12.855 -3.372 74 HA ALA 9 HA ALA 9 -2.763 15.311 -4.204 75 1HB ALA 9 1HB ALA 9 -2.538 13.399 -2.069 76 2HB ALA 9 2HB ALA 9 -1.771 14.982 -2.210 77 3HB ALA 9 3HB ALA 9 -0.974 13.552 -2.869 78 H ILE 10 H ILE 10 -0.290 14.926 -4.822 79 HA ILE 10 HA ILE 10 -0.153 13.885 -7.411 80 HB ILE 10 HB ILE 10 2.063 14.014 -5.345 81 1HG1 ILE 10 2HG1 ILE 10 2.438 16.002 -7.232 82 2HG1 ILE 10 1HG1 ILE 10 0.685 15.977 -7.045 83 1HG2 ILE 10 1HG2 ILE 10 2.144 13.679 -8.358 84 2HG2 ILE 10 2HG2 ILE 10 2.682 12.503 -7.159 85 3HG2 ILE 10 3HG2 ILE 10 3.552 14.025 -7.355 86 1HD1 ILE 10 1HD1 ILE 10 2.784 16.759 -5.102 87 2HD1 ILE 10 2HD1 ILE 10 1.450 15.811 -4.443 88 3HD1 ILE 10 3HD1 ILE 10 1.125 17.339 -5.263 89 H ASN 11 H ASN 11 1.467 12.217 -4.694 90 HA ASN 11 HA ASN 11 1.925 9.907 -4.468 91 1HB ASN 11 2HB ASN 11 -0.272 9.954 -3.492 92 2HB ASN 11 1HB ASN 11 -1.040 10.024 -5.075 93 1HD2 ASN 11 1HD2 ASN 11 1.624 7.887 -3.920 94 2HD2 ASN 11 2HD2 ASN 11 0.799 6.439 -4.239 95 H LYS 12 H LYS 12 3.158 10.212 -6.634 96 HA LYS 12 HA LYS 12 3.530 9.625 -8.900 97 1HB LYS 12 2HB LYS 12 2.923 6.973 -9.005 98 2HB LYS 12 1HB LYS 12 4.386 7.612 -8.263 99 1HG LYS 12 2HG LYS 12 1.824 7.219 -6.706 100 2HG LYS 12 1HG LYS 12 3.047 5.963 -6.851 101 1HD LYS 12 2HD LYS 12 4.616 8.059 -6.151 102 2HD LYS 12 1HD LYS 12 3.129 8.496 -5.316 103 1HE LYS 12 2HE LYS 12 3.494 6.928 -3.742 104 2HE LYS 12 1HE LYS 12 3.645 5.677 -4.975 105 1HZ LYS 12 1HZ LYS 12 5.660 6.687 -3.407 106 2HZ LYS 12 2HZ LYS 12 5.925 7.376 -4.937 107 3HZ LYS 12 3HZ LYS 12 5.839 5.688 -4.767 108 H THR 13 H THR 13 1.245 10.956 -9.054 109 HA THR 13 HA THR 13 -1.225 9.960 -9.584 110 HB THR 13 HB THR 13 -0.456 11.581 -11.868 111 HG1 THR 13 HG1 THR 13 0.116 12.689 -9.337 112 1HG2 THR 13 1HG2 THR 13 -2.146 13.058 -10.946 113 2HG2 THR 13 2HG2 THR 13 -2.061 12.241 -9.385 114 3HG2 THR 13 3HG2 THR 13 -2.709 11.394 -10.790 115 H LYS 14 H LYS 14 -2.335 9.132 -11.504 116 HA LYS 14 HA LYS 14 -1.342 6.817 -12.616 117 1HB LYS 14 2HB LYS 14 -2.859 7.302 -14.606 118 2HB LYS 14 1HB LYS 14 -3.630 7.376 -13.020 119 1HG LYS 14 2HG LYS 14 -2.923 9.921 -13.145 120 2HG LYS 14 1HG LYS 14 -2.908 9.611 -14.881 121 1HD LYS 14 2HD LYS 14 -5.245 8.486 -14.393 122 2HD LYS 14 1HD LYS 14 -5.209 9.521 -12.965 123 1HE LYS 14 2HE LYS 14 -5.942 11.202 -14.273 124 2HE LYS 14 1HE LYS 14 -4.368 11.173 -15.067 125 1HZ LYS 14 1HZ LYS 14 -5.484 9.185 -16.342 126 2HZ LYS 14 2HZ LYS 14 -5.709 10.794 -16.843 127 3HZ LYS 14 3HZ LYS 14 -6.908 10.010 -15.931 128 H LYS 15 H LYS 15 -0.995 10.075 -14.072 129 HA LYS 15 HA LYS 15 0.591 9.161 -16.289 130 1HB LYS 15 2HB LYS 15 1.243 11.533 -16.527 131 2HB LYS 15 1HB LYS 15 -0.496 11.378 -16.273 132 1HG LYS 15 2HG LYS 15 0.134 11.641 -13.735 133 2HG LYS 15 1HG LYS 15 1.612 12.362 -14.374 134 1HD LYS 15 2HD LYS 15 -1.133 13.247 -15.280 135 2HD LYS 15 1HD LYS 15 -0.314 13.980 -13.901 136 1HE LYS 15 2HE LYS 15 1.685 14.042 -15.745 137 2HE LYS 15 1HE LYS 15 0.278 14.222 -16.791 138 1HZ LYS 15 1HZ LYS 15 1.467 16.180 -15.265 139 2HZ LYS 15 2HZ LYS 15 0.014 15.817 -14.462 140 3HZ LYS 15 3HZ LYS 15 -0.009 16.290 -16.093 141 H ALA 16 H ALA 16 1.384 10.358 -13.046 142 HA ALA 16 HA ALA 16 4.260 9.900 -13.523 143 1HB ALA 16 1HB ALA 16 4.306 10.578 -10.996 144 2HB ALA 16 2HB ALA 16 2.636 11.075 -11.276 145 3HB ALA 16 3HB ALA 16 3.943 11.816 -12.199 146 H ASP 17 H ASP 17 1.959 7.816 -13.264 147 HA ASP 17 HA ASP 17 2.711 6.258 -10.894 148 1HB ASP 17 2HB ASP 17 0.512 6.327 -12.610 149 2HB ASP 17 1HB ASP 17 1.300 4.796 -12.993 150 H VAL 18 H VAL 18 3.410 6.204 -14.370 151 HA VAL 18 HA VAL 18 5.099 3.796 -13.990 152 HB VAL 18 HB VAL 18 5.372 4.874 -16.630 153 1HG1 VAL 18 1HG1 VAL 18 5.578 2.514 -16.006 154 2HG1 VAL 18 2HG1 VAL 18 4.323 2.711 -17.231 155 3HG1 VAL 18 3HG1 VAL 18 3.877 2.475 -15.542 156 1HG2 VAL 18 1HG2 VAL 18 2.508 4.635 -15.647 157 2HG2 VAL 18 2HG2 VAL 18 2.979 4.726 -17.345 158 3HG2 VAL 18 3HG2 VAL 18 3.281 6.092 -16.272 159 H LYS 19 H LYS 19 5.352 7.260 -14.399 160 HA LYS 19 HA LYS 19 8.233 7.139 -14.952 161 1HB LYS 19 2HB LYS 19 8.168 9.486 -15.138 162 2HB LYS 19 1HB LYS 19 6.575 9.000 -15.714 163 1HG LYS 19 2HG LYS 19 5.962 10.650 -14.216 164 2HG LYS 19 1HG LYS 19 5.957 9.257 -13.137 165 1HD LYS 19 2HD LYS 19 7.297 10.651 -11.890 166 2HD LYS 19 1HD LYS 19 8.541 9.920 -12.904 167 1HE LYS 19 2HE LYS 19 8.935 12.260 -13.052 168 2HE LYS 19 1HE LYS 19 8.099 11.846 -14.548 169 1HZ LYS 19 1HZ LYS 19 7.101 13.790 -13.606 170 2HZ LYS 19 2HZ LYS 19 6.889 13.022 -12.105 171 3HZ LYS 19 3HZ LYS 19 6.006 12.504 -13.461 172 H ALA 20 H ALA 20 6.112 7.684 -12.188 173 HA ALA 20 HA ALA 20 8.184 8.502 -10.350 174 1HB ALA 20 1HB ALA 20 5.789 8.855 -9.865 175 2HB ALA 20 2HB ALA 20 6.545 7.886 -8.600 176 3HB ALA 20 3HB ALA 20 5.536 7.110 -9.822 177 H ILE 21 H ILE 21 6.730 5.360 -11.186 178 HA ILE 21 HA ILE 21 8.190 3.801 -9.311 179 HB ILE 21 HB ILE 21 7.106 3.129 -12.062 180 1HG1 ILE 21 2HG1 ILE 21 5.144 2.963 -10.966 181 2HG1 ILE 21 1HG1 ILE 21 5.829 1.651 -10.025 182 1HG2 ILE 21 1HG2 ILE 21 7.447 0.805 -10.453 183 2HG2 ILE 21 2HG2 ILE 21 8.987 1.646 -10.511 184 3HG2 ILE 21 3HG2 ILE 21 8.190 1.172 -12.008 185 1HD1 ILE 21 1HD1 ILE 21 4.899 3.424 -8.570 186 2HD1 ILE 21 2HD1 ILE 21 5.998 4.593 -9.298 187 3HD1 ILE 21 3HD1 ILE 21 6.639 3.255 -8.344 188 H ALA 22 H ALA 22 9.308 5.577 -12.022 189 HA ALA 22 HA ALA 22 11.730 3.874 -12.271 190 1HB ALA 22 1HB ALA 22 12.209 5.752 -14.081 191 2HB ALA 22 2HB ALA 22 10.471 6.016 -13.939 192 3HB ALA 22 3HB ALA 22 11.086 4.437 -14.424 193 H ASP 23 H ASP 23 10.990 7.352 -11.796 194 HA ASP 23 HA ASP 23 13.724 7.761 -10.747 195 1HB ASP 23 2HB ASP 23 12.594 9.329 -12.404 196 2HB ASP 23 1HB ASP 23 11.550 9.832 -11.075 197 H ALA 24 H ALA 24 11.202 6.474 -9.267 198 HA ALA 24 HA ALA 24 11.058 8.339 -6.974 199 1HB ALA 24 1HB ALA 24 8.952 7.437 -7.700 200 2HB ALA 24 2HB ALA 24 9.334 6.765 -6.114 201 3HB ALA 24 3HB ALA 24 9.567 5.790 -7.565 202 H TRP 25 H TRP 25 11.847 4.873 -7.405 203 HA TRP 25 HA TRP 25 12.905 4.937 -4.650 204 1HB TRP 25 2HB TRP 25 13.181 2.373 -5.994 205 2HB TRP 25 1HB TRP 25 12.342 2.785 -4.520 206 HD1 TRP 25 HD1 TRP 25 10.145 4.783 -5.916 207 HE1 TRP 25 HE1 TRP 25 8.290 3.756 -7.332 208 HE3 TRP 25 HE3 TRP 25 12.145 0.173 -6.861 209 HZ2 TRP 25 HZ2 TRP 25 7.721 1.327 -8.681 210 HZ3 TRP 25 HZ3 TRP 25 10.886 -1.456 -8.210 211 HH2 TRP 25 HH2 TRP 25 8.687 -0.874 -9.126 212 H GLN 26 H GLN 26 14.791 2.643 -5.340 213 HA GLN 26 HA GLN 26 17.137 4.254 -5.648 214 1HB GLN 26 2HB GLN 26 17.018 1.983 -4.539 215 2HB GLN 26 1HB GLN 26 16.947 1.277 -6.155 216 1HG GLN 26 2HG GLN 26 19.119 3.243 -5.473 217 2HG GLN 26 1HG GLN 26 19.281 1.553 -4.992 218 1HE2 GLN 26 1HE2 GLN 26 20.356 3.496 -7.343 219 2HE2 GLN 26 2HE2 GLN 26 20.325 2.445 -8.677 220 H ILE 27 H ILE 27 16.707 5.449 -7.608 221 HA ILE 27 HA ILE 27 17.126 3.839 -10.088 222 HB ILE 27 HB ILE 27 15.283 4.881 -10.885 223 1HG1 ILE 27 2HG1 ILE 27 17.183 6.495 -11.659 224 2HG1 ILE 27 1HG1 ILE 27 15.514 7.043 -11.796 225 1HG2 ILE 27 1HG2 ILE 27 14.653 5.236 -8.499 226 2HG2 ILE 27 2HG2 ILE 27 14.015 6.481 -9.558 227 3HG2 ILE 27 3HG2 ILE 27 15.422 6.811 -8.571 228 1HD1 ILE 27 1HD1 ILE 27 16.774 7.614 -9.188 229 2HD1 ILE 27 2HD1 ILE 27 15.781 8.650 -10.208 230 3HD1 ILE 27 3HD1 ILE 27 17.499 8.464 -10.553 231 H ASN 28 H ASN 28 18.274 6.339 -8.011 232 HA ASN 28 HA ASN 28 20.802 6.429 -9.421 233 1HB ASN 28 2HB ASN 28 19.302 8.054 -10.706 234 2HB ASN 28 1HB ASN 28 19.301 9.047 -9.247 235 1HD2 ASN 28 1HD2 ASN 28 21.712 9.342 -8.336 236 2HD2 ASN 28 2HD2 ASN 28 22.876 9.725 -9.507 237 H GLY 29 H GLY 29 18.685 7.830 -6.958 238 1HA GLY 29 2HA GLY 29 19.389 7.803 -4.609 239 2HA GLY 29 1HA GLY 29 21.058 7.957 -5.161 240 H GLU 30 H GLU 30 20.414 9.987 -7.161 241 HA GLU 30 HA GLU 30 20.134 12.295 -5.305 242 1HB GLU 30 2HB GLU 30 22.191 12.349 -6.573 243 2HB GLU 30 1HB GLU 30 21.325 12.044 -8.079 244 1HG GLU 30 2HG GLU 30 21.157 14.271 -8.355 245 2HG GLU 30 1HG GLU 30 20.088 14.308 -6.951 246 H LYS 31 H LYS 31 18.757 10.775 -8.147 247 HA LYS 31 HA LYS 31 16.885 13.023 -8.574 248 1HB LYS 31 2HB LYS 31 17.603 10.516 -10.037 249 2HB LYS 31 1HB LYS 31 15.985 11.171 -10.281 250 1HG LYS 31 2HG LYS 31 17.188 12.287 -11.937 251 2HG LYS 31 1HG LYS 31 17.264 13.447 -10.610 252 1HD LYS 31 2HD LYS 31 19.438 12.047 -9.979 253 2HD LYS 31 1HD LYS 31 19.406 11.668 -11.702 254 1HE LYS 31 2HE LYS 31 20.730 13.648 -11.498 255 2HE LYS 31 1HE LYS 31 19.163 14.176 -12.112 256 1HZ LYS 31 1HZ LYS 31 19.232 14.084 -9.258 257 2HZ LYS 31 2HZ LYS 31 18.794 15.363 -10.288 258 3HZ LYS 31 3HZ LYS 31 20.425 15.116 -9.880 259 H GLU 32 H GLU 32 16.866 9.668 -7.404 260 HA GLU 32 HA GLU 32 14.022 9.473 -7.098 261 1HB GLU 32 2HB GLU 32 14.599 7.677 -5.408 262 2HB GLU 32 1HB GLU 32 15.300 7.444 -7.003 263 1HG GLU 32 2HG GLU 32 17.272 7.224 -5.902 264 2HG GLU 32 1HG GLU 32 17.214 8.978 -5.734 265 H LEU 33 H LEU 33 16.588 10.497 -4.860 266 HA LEU 33 HA LEU 33 15.068 10.877 -2.545 267 1HB LEU 33 2HB LEU 33 16.741 12.431 -1.836 268 2HB LEU 33 1HB LEU 33 17.576 11.281 -2.878 269 HG LEU 33 HG LEU 33 16.950 12.991 -4.780 270 1HD1 LEU 33 1HD1 LEU 33 15.908 14.302 -2.516 271 2HD1 LEU 33 2HD1 LEU 33 16.106 14.977 -4.133 272 3HD1 LEU 33 3HD1 LEU 33 17.381 15.180 -2.931 273 1HD2 LEU 33 1HD2 LEU 33 19.235 12.387 -3.545 274 2HD2 LEU 33 2HD2 LEU 33 19.060 14.031 -2.932 275 3HD2 LEU 33 3HD2 LEU 33 19.136 13.741 -4.669 276 H GLU 34 H GLU 34 15.204 12.864 -5.457 277 HA GLU 34 HA GLU 34 13.808 15.122 -4.421 278 1HB GLU 34 2HB GLU 34 15.150 14.842 -6.627 279 2HB GLU 34 1HB GLU 34 13.629 14.235 -7.289 280 1HG GLU 34 2HG GLU 34 12.487 16.268 -6.786 281 2HG GLU 34 1HG GLU 34 13.821 16.825 -5.776 282 H LEU 35 H LEU 35 12.530 12.512 -6.578 283 HA LEU 35 HA LEU 35 9.876 13.296 -6.543 284 1HB LEU 35 2HB LEU 35 10.960 11.242 -7.722 285 2HB LEU 35 1HB LEU 35 10.571 10.372 -6.243 286 HG LEU 35 HG LEU 35 8.869 10.553 -8.354 287 1HD1 LEU 35 1HD1 LEU 35 8.084 10.502 -5.426 288 2HD1 LEU 35 2HD1 LEU 35 8.531 9.108 -6.406 289 3HD1 LEU 35 3HD1 LEU 35 7.049 9.994 -6.758 290 1HD2 LEU 35 1HD2 LEU 35 8.101 12.806 -6.476 291 2HD2 LEU 35 2HD2 LEU 35 7.086 12.176 -7.772 292 3HD2 LEU 35 3HD2 LEU 35 8.603 12.992 -8.154 293 H LEU 36 H LEU 36 11.340 11.039 -4.173 294 HA LEU 36 HA LEU 36 9.010 10.997 -2.531 295 1HB LEU 36 2HB LEU 36 11.162 9.463 -2.531 296 2HB LEU 36 1HB LEU 36 11.755 10.654 -1.367 297 HG LEU 36 HG LEU 36 10.551 8.755 -0.271 298 1HD1 LEU 36 1HD1 LEU 36 10.487 11.379 0.362 299 2HD1 LEU 36 2HD1 LEU 36 9.613 10.170 1.306 300 3HD1 LEU 36 3HD1 LEU 36 8.768 11.119 0.089 301 1HD2 LEU 36 1HD2 LEU 36 8.005 9.895 -1.373 302 2HD2 LEU 36 2HD2 LEU 36 8.329 8.265 -0.785 303 3HD2 LEU 36 3HD2 LEU 36 8.921 8.765 -2.369 304 H GLN 37 H GLN 37 11.693 13.206 -2.830 305 HA GLN 37 HA GLN 37 11.562 14.520 -0.354 306 1HB GLN 37 2HB GLN 37 13.072 14.994 -2.442 307 2HB GLN 37 1HB GLN 37 11.773 16.076 -2.930 308 1HG GLN 37 2HG GLN 37 11.991 17.359 -0.891 309 2HG GLN 37 1HG GLN 37 13.153 16.202 -0.237 310 1HE2 GLN 37 1HE2 GLN 37 14.732 15.787 -2.607 311 2HE2 GLN 37 2HE2 GLN 37 15.539 17.234 -2.970 312 H GLN 38 H GLN 38 9.260 14.330 -2.898 313 HA GLN 38 HA GLN 38 7.415 16.015 -1.313 314 1HB GLN 38 2HB GLN 38 8.620 16.838 -3.761 315 2HB GLN 38 1HB GLN 38 6.923 16.495 -4.095 316 1HG GLN 38 2HG GLN 38 6.200 18.261 -2.867 317 2HG GLN 38 1HG GLN 38 7.371 17.959 -1.582 318 1HE2 GLN 38 1HE2 GLN 38 7.176 19.281 -4.926 319 2HE2 GLN 38 2HE2 GLN 38 8.455 20.379 -4.725 320 H ILE 39 H ILE 39 7.720 13.033 -1.953 321 HA ILE 39 HA ILE 39 4.998 12.743 -3.083 322 HB ILE 39 HB ILE 39 7.442 11.208 -3.839 323 1HG1 ILE 39 2HG1 ILE 39 6.832 13.137 -5.209 324 2HG1 ILE 39 1HG1 ILE 39 6.450 11.664 -6.096 325 1HG2 ILE 39 1HG2 ILE 39 6.064 9.366 -3.522 326 2HG2 ILE 39 2HG2 ILE 39 5.538 9.852 -5.134 327 3HG2 ILE 39 3HG2 ILE 39 4.588 10.309 -3.722 328 1HD1 ILE 39 1HD1 ILE 39 4.141 12.158 -4.638 329 2HD1 ILE 39 2HD1 ILE 39 4.380 12.487 -6.354 330 3HD1 ILE 39 3HD1 ILE 39 4.662 13.759 -5.167 331 H ALA 40 H ALA 40 7.217 11.681 -0.599 332 HA ALA 40 HA ALA 40 5.553 9.350 0.136 333 1HB ALA 40 1HB ALA 40 7.791 10.755 1.622 334 2HB ALA 40 2HB ALA 40 7.899 9.224 0.755 335 3HB ALA 40 3HB ALA 40 6.948 9.334 2.228 336 H GLN 41 H GLN 41 5.263 12.610 0.390 337 HA GLN 41 HA GLN 41 3.861 12.530 2.988 338 1HB GLN 41 2HB GLN 41 4.348 14.973 1.322 339 2HB GLN 41 1HB GLN 41 4.199 14.856 3.077 340 1HG GLN 41 2HG GLN 41 6.364 13.856 3.301 341 2HG GLN 41 1HG GLN 41 6.451 13.492 1.586 342 1HE2 GLN 41 1HE2 GLN 41 8.085 14.742 0.769 343 2HE2 GLN 41 2HE2 GLN 41 8.247 16.410 1.021 344 H LYS 42 H LYS 42 3.322 12.515 -0.354 345 HA LYS 42 HA LYS 42 0.415 12.922 0.181 346 1HB LYS 42 2HB LYS 42 0.112 14.378 -1.611 347 2HB LYS 42 1HB LYS 42 1.666 14.898 -0.975 348 1HG LYS 42 2HG LYS 42 2.007 12.770 -2.943 349 2HG LYS 42 1HG LYS 42 1.123 14.134 -3.616 350 1HD LYS 42 2HD LYS 42 3.827 14.183 -2.264 351 2HD LYS 42 1HD LYS 42 3.470 14.529 -3.957 352 1HE LYS 42 2HE LYS 42 3.379 16.699 -3.297 353 2HE LYS 42 1HE LYS 42 1.798 16.279 -2.636 354 1HZ LYS 42 1HZ LYS 42 3.859 15.495 -0.859 355 2HZ LYS 42 2HZ LYS 42 2.559 16.554 -0.589 356 3HZ LYS 42 3HZ LYS 42 4.016 17.141 -1.235 357 HA PRO 43 HA PRO 43 1.577 9.249 -2.654 358 1HB PRO 43 2HB PRO 43 1.725 7.211 -0.812 359 2HB PRO 43 1HB PRO 43 3.133 8.111 -1.406 360 1HG PRO 43 2HG PRO 43 1.713 8.358 1.219 361 2HG PRO 43 1HG PRO 43 3.425 8.620 0.833 362 1HD PRO 43 2HD PRO 43 1.568 10.677 1.193 363 2HD PRO 43 1HD PRO 43 3.097 10.813 0.308 364 H GLY 44 H GLY 44 -0.795 10.289 -0.593 365 1HA GLY 44 2HA GLY 44 -3.001 9.595 -0.132 366 2HA GLY 44 1HA GLY 44 -2.980 9.205 -1.851 367 H ALA 45 H ALA 45 -2.519 7.012 -2.481 368 HA ALA 45 HA ALA 45 -2.738 5.043 -0.244 369 1HB ALA 45 1HB ALA 45 -4.856 5.191 -1.486 370 2HB ALA 45 2HB ALA 45 -4.082 3.631 -1.766 371 3HB ALA 45 3HB ALA 45 -3.997 4.891 -2.997 372 H LEU 46 H LEU 46 -0.209 5.660 -0.976 373 HA LEU 46 HA LEU 46 0.905 4.392 -3.220 374 1HB LEU 46 2HB LEU 46 2.555 5.549 -2.153 375 2HB LEU 46 1HB LEU 46 1.834 5.303 -0.570 376 HG LEU 46 HG LEU 46 4.117 4.247 -0.910 377 1HD1 LEU 46 1HD1 LEU 46 2.770 1.856 -0.247 378 2HD1 LEU 46 2HD1 LEU 46 1.742 3.178 0.302 379 3HD1 LEU 46 3HD1 LEU 46 3.412 3.071 0.853 380 1HD2 LEU 46 1HD2 LEU 46 4.464 2.982 -2.734 381 2HD2 LEU 46 2HD2 LEU 46 2.763 3.100 -3.179 382 3HD2 LEU 46 3HD2 LEU 46 3.307 1.810 -2.107 383 H ARG 47 H ARG 47 -0.323 3.069 -0.221 384 HA ARG 47 HA ARG 47 0.733 0.496 -0.136 385 1HB ARG 47 2HB ARG 47 -1.632 1.808 0.835 386 2HB ARG 47 1HB ARG 47 -2.062 0.201 0.247 387 1HG ARG 47 2HG ARG 47 -0.523 -0.866 1.700 388 2HG ARG 47 1HG ARG 47 0.327 0.643 2.039 389 1HD ARG 47 2HD ARG 47 -1.803 1.496 3.105 390 2HD ARG 47 1HD ARG 47 -2.460 -0.133 2.939 391 HE ARG 47 HE ARG 47 -0.491 -0.872 4.381 392 1HH1 ARG 47 2HH1 ARG 47 -2.349 0.252 6.252 393 2HH1 ARG 47 1HH1 ARG 47 -1.476 1.540 7.013 394 1HH2 ARG 47 2HH2 ARG 47 0.392 2.366 6.043 395 2HH2 ARG 47 1HH2 ARG 47 0.949 1.710 4.540 396 H ILE 48 H ILE 48 -2.014 1.586 -2.138 397 HA ILE 48 HA ILE 48 -2.719 -0.806 -3.378 398 HB ILE 48 HB ILE 48 -2.659 2.053 -4.318 399 1HG1 ILE 48 2HG1 ILE 48 -4.877 0.030 -3.879 400 2HG1 ILE 48 1HG1 ILE 48 -4.390 1.276 -2.730 401 1HG2 ILE 48 1HG2 ILE 48 -4.133 0.979 -6.266 402 2HG2 ILE 48 2HG2 ILE 48 -3.068 -0.399 -5.986 403 3HG2 ILE 48 3HG2 ILE 48 -2.387 1.164 -6.440 404 1HD1 ILE 48 1HD1 ILE 48 -6.331 1.584 -4.670 405 2HD1 ILE 48 2HD1 ILE 48 -4.915 2.319 -5.425 406 3HD1 ILE 48 3HD1 ILE 48 -5.486 2.906 -3.863 407 H LEU 49 H LEU 49 -0.516 1.525 -5.004 408 HA LEU 49 HA LEU 49 0.566 -0.575 -6.694 409 1HB LEU 49 2HB LEU 49 2.195 1.885 -6.232 410 2HB LEU 49 1HB LEU 49 1.765 1.104 -7.752 411 HG LEU 49 HG LEU 49 -0.688 1.965 -6.794 412 1HD1 LEU 49 1HD1 LEU 49 -0.036 4.486 -6.443 413 2HD1 LEU 49 2HD1 LEU 49 1.517 3.820 -5.940 414 3HD1 LEU 49 3HD1 LEU 49 0.046 3.373 -5.077 415 1HD2 LEU 49 1HD2 LEU 49 0.789 3.894 -8.477 416 2HD2 LEU 49 2HD2 LEU 49 -0.719 3.041 -8.804 417 3HD2 LEU 49 3HD2 LEU 49 0.826 2.229 -9.056 418 H ASN 50 H ASN 50 0.989 0.154 -3.460 419 HA ASN 50 HA ASN 50 3.803 -0.287 -3.101 420 1HB ASN 50 2HB ASN 50 2.075 0.642 -1.400 421 2HB ASN 50 1HB ASN 50 1.710 -1.044 -1.065 422 1HD2 ASN 50 1HD2 ASN 50 4.864 0.557 -1.772 423 2HD2 ASN 50 2HD2 ASN 50 5.611 0.041 -0.339 424 H HIS 51 H HIS 51 1.047 -2.415 -3.519 425 HA HIS 51 HA HIS 51 1.901 -4.808 -2.419 426 1HB HIS 51 2HB HIS 51 -0.178 -4.705 -3.679 427 2HB HIS 51 1HB HIS 51 0.691 -4.330 -5.166 428 HD1 HIS 51 HD1 HIS 51 0.818 -7.115 -2.541 429 HD2 HIS 51 HD2 HIS 51 1.076 -6.605 -6.672 430 HE1 HIS 51 HE1 HIS 51 1.099 -9.428 -3.534 431 H SER 52 H SER 52 3.243 -3.030 -5.101 432 HA SER 52 HA SER 52 5.491 -4.960 -5.186 433 1HB SER 52 2HB SER 52 4.701 -3.513 -7.659 434 2HB SER 52 1HB SER 52 5.355 -5.139 -7.465 435 HG SER 52 HG SER 52 2.786 -4.297 -7.604 436 H LEU 53 H LEU 53 4.484 -1.772 -4.636 437 HA LEU 53 HA LEU 53 6.950 -0.541 -5.681 438 1HB LEU 53 2HB LEU 53 4.365 0.477 -4.935 439 2HB LEU 53 1HB LEU 53 5.593 1.289 -3.974 440 HG LEU 53 HG LEU 53 6.733 2.093 -5.887 441 1HD1 LEU 53 1HD1 LEU 53 5.951 1.297 -8.204 442 2HD1 LEU 53 2HD1 LEU 53 5.165 -0.024 -7.345 443 3HD1 LEU 53 3HD1 LEU 53 6.908 0.168 -7.253 444 1HD2 LEU 53 1HD2 LEU 53 4.087 2.249 -7.192 445 2HD2 LEU 53 2HD2 LEU 53 5.165 3.545 -6.673 446 3HD2 LEU 53 3HD2 LEU 53 4.106 2.757 -5.503 447 H ARG 54 H ARG 54 5.853 -2.026 -2.843 448 HA ARG 54 HA ARG 54 7.400 -0.671 -0.880 449 1HB ARG 54 2HB ARG 54 5.682 -2.659 -0.650 450 2HB ARG 54 1HB ARG 54 7.113 -3.668 -0.864 451 1HG ARG 54 2HG ARG 54 8.128 -2.031 0.965 452 2HG ARG 54 1HG ARG 54 6.428 -1.806 1.376 453 1HD ARG 54 2HD ARG 54 6.941 -4.607 0.959 454 2HD ARG 54 1HD ARG 54 8.107 -3.964 2.117 455 HE ARG 54 HE ARG 54 5.374 -3.118 2.673 456 1HH1 ARG 54 2HH1 ARG 54 7.978 -4.207 4.244 457 2HH1 ARG 54 1HH1 ARG 54 7.200 -5.455 5.159 458 1HH2 ARG 54 1HH2 ARG 54 4.259 -5.328 3.327 459 2HH2 ARG 54 2HH2 ARG 54 5.093 -6.091 4.639 460 H LEU 55 H LEU 55 8.255 -2.612 -3.592 461 HA LEU 55 HA LEU 55 10.802 -3.618 -2.776 462 1HB LEU 55 2HB LEU 55 9.267 -3.407 -5.217 463 2HB LEU 55 1HB LEU 55 10.943 -2.946 -5.520 464 HG LEU 55 HG LEU 55 10.443 -5.435 -5.741 465 1HD1 LEU 55 1HD1 LEU 55 12.665 -5.584 -5.418 466 2HD1 LEU 55 2HD1 LEU 55 12.430 -5.528 -3.669 467 3HD1 LEU 55 3HD1 LEU 55 12.628 -4.031 -4.581 468 1HD2 LEU 55 1HD2 LEU 55 9.003 -5.248 -3.533 469 2HD2 LEU 55 2HD2 LEU 55 10.557 -5.496 -2.737 470 3HD2 LEU 55 3HD2 LEU 55 9.932 -6.713 -3.850 471 H ALA 56 H ALA 56 9.723 -0.559 -4.085 472 HA ALA 56 HA ALA 56 11.776 0.908 -4.931 473 1HB ALA 56 1HB ALA 56 10.988 2.757 -3.249 474 2HB ALA 56 2HB ALA 56 9.767 1.570 -2.795 475 3HB ALA 56 3HB ALA 56 9.854 2.154 -4.456 476 H ALA 57 H ALA 57 11.478 -0.157 -1.554 477 HA ALA 57 HA ALA 57 14.263 0.815 -1.070 478 1HB ALA 57 1HB ALA 57 13.505 0.340 1.400 479 2HB ALA 57 2HB ALA 57 11.880 0.408 0.718 480 3HB ALA 57 3HB ALA 57 12.948 1.806 0.594 481 H MET 58 H MET 58 12.169 -1.983 -1.141 482 HA MET 58 HA MET 58 13.840 -3.795 0.326 483 1HB MET 58 2HB MET 58 11.396 -3.921 -1.082 484 2HB MET 58 1HB MET 58 12.452 -5.122 -1.827 485 1HG MET 58 2HG MET 58 13.013 -5.868 0.571 486 2HG MET 58 1HG MET 58 11.622 -4.906 1.071 487 1HE MET 58 1HE MET 58 11.941 -8.673 -1.366 488 2HE MET 58 2HE MET 58 12.357 -8.677 0.346 489 3HE MET 58 3HE MET 58 13.170 -7.561 -0.750 490 H THR 59 H THR 59 16.009 -3.620 -0.336 491 HA THR 59 HA THR 59 16.591 -4.136 -3.206 492 HB THR 59 HB THR 59 17.802 -2.258 -2.204 493 HG1 THR 59 HG1 THR 59 19.725 -2.867 -2.953 494 1HG2 THR 59 1HG2 THR 59 18.543 -4.337 -0.146 495 2HG2 THR 59 2HG2 THR 59 17.820 -2.750 0.114 496 3HG2 THR 59 3HG2 THR 59 19.509 -2.880 -0.374 497 H ALA 60 H ALA 60 15.779 -6.032 -0.823 498 HA ALA 60 HA ALA 60 18.038 -7.956 -1.090 499 1HB ALA 60 1HB ALA 60 16.407 -7.209 1.090 500 2HB ALA 60 2HB ALA 60 17.595 -8.512 1.049 501 3HB ALA 60 3HB ALA 60 15.907 -8.842 0.654 502 H HIS 61 H HIS 61 15.126 -7.235 -2.534 503 HA HIS 61 HA HIS 61 14.015 -9.886 -2.848 504 1HB HIS 61 2HB HIS 61 12.882 -7.566 -3.211 505 2HB HIS 61 1HB HIS 61 13.606 -7.645 -4.818 506 HD1 HIS 61 HD1 HIS 61 12.161 -10.560 -2.854 507 HD2 HIS 61 HD2 HIS 61 11.384 -8.395 -6.333 508 HE1 HIS 61 HE1 HIS 61 10.283 -11.770 -4.048 509 H GLY 62 H GLY 62 15.971 -11.067 -3.461 510 1HA GLY 62 2HA GLY 62 17.285 -10.421 -5.993 511 2HA GLY 62 1HA GLY 62 17.601 -11.840 -4.994 512 H LYS 63 H LYS 63 14.316 -11.674 -5.331 513 HA LYS 63 HA LYS 63 14.291 -13.891 -7.229 514 1HB LYS 63 2HB LYS 63 12.585 -12.943 -5.201 515 2HB LYS 63 1HB LYS 63 11.677 -12.749 -6.701 516 1HG LYS 63 2HG LYS 63 13.141 -15.311 -6.059 517 2HG LYS 63 1HG LYS 63 11.489 -15.026 -5.512 518 1HD LYS 63 2HD LYS 63 11.371 -14.282 -8.167 519 2HD LYS 63 1HD LYS 63 12.480 -15.654 -8.202 520 1HE LYS 63 2HE LYS 63 10.840 -17.012 -6.952 521 2HE LYS 63 1HE LYS 63 9.728 -15.644 -6.927 522 1HZ LYS 63 1HZ LYS 63 10.595 -16.071 -9.562 523 2HZ LYS 63 2HZ LYS 63 9.023 -16.197 -8.932 524 3HZ LYS 63 3HZ LYS 63 10.052 -17.549 -8.933 525 H GLY 64 H GLY 64 14.438 -10.569 -7.591 526 1HA GLY 64 2HA GLY 64 14.260 -10.518 -10.371 527 2HA GLY 64 1HA GLY 64 12.612 -10.222 -9.812 528 H GLU 65 H GLU 65 15.604 -8.768 -10.462 529 HA GLU 65 HA GLU 65 14.662 -6.128 -9.978 530 1HB GLU 65 2HB GLU 65 16.010 -5.522 -7.996 531 2HB GLU 65 1HB GLU 65 14.818 -6.760 -7.599 532 1HG GLU 65 2HG GLU 65 16.657 -7.761 -6.655 533 2HG GLU 65 1HG GLU 65 16.859 -8.362 -8.301 534 H ARG 66 H ARG 66 15.858 -4.963 -11.390 535 HA ARG 66 HA ARG 66 18.312 -6.021 -12.512 536 1HB ARG 66 2HB ARG 66 16.628 -3.589 -12.914 537 2HB ARG 66 1HB ARG 66 18.301 -3.522 -13.463 538 1HG ARG 66 2HG ARG 66 16.897 -6.014 -14.178 539 2HG ARG 66 1HG ARG 66 16.230 -4.565 -14.931 540 1HD ARG 66 2HD ARG 66 18.096 -5.715 -16.231 541 2HD ARG 66 1HD ARG 66 18.335 -3.996 -15.917 542 HE ARG 66 HE ARG 66 19.568 -5.265 -13.773 543 1HH1 ARG 66 2HH1 ARG 66 19.890 -7.301 -16.132 544 2HH1 ARG 66 1HH1 ARG 66 21.495 -6.900 -16.644 545 1HH2 ARG 66 1HH2 ARG 66 21.592 -3.908 -14.893 546 2HH2 ARG 66 2HH2 ARG 66 22.458 -4.980 -15.942 547 H VAL 67 H VAL 67 18.427 -2.618 -11.815 548 HA VAL 67 HA VAL 67 19.795 -2.655 -9.326 549 HB VAL 67 HB VAL 67 21.436 -4.016 -10.649 550 1HG1 VAL 67 1HG1 VAL 67 22.791 -2.797 -12.346 551 2HG1 VAL 67 2HG1 VAL 67 21.698 -1.421 -12.198 552 3HG1 VAL 67 3HG1 VAL 67 21.102 -2.956 -12.829 553 1HG2 VAL 67 1HG2 VAL 67 23.422 -2.617 -10.021 554 2HG2 VAL 67 2HG2 VAL 67 22.229 -2.749 -8.729 555 3HG2 VAL 67 3HG2 VAL 67 22.324 -1.276 -9.695 556 H ASN 68 H ASN 68 19.422 -1.144 -12.498 557 HA ASN 68 HA ASN 68 20.009 1.504 -11.254 558 1HB ASN 68 2HB ASN 68 20.108 0.440 -14.055 559 2HB ASN 68 1HB ASN 68 19.815 2.161 -13.820 560 1HD2 ASN 68 1HD2 ASN 68 21.592 3.475 -13.178 561 2HD2 ASN 68 2HD2 ASN 68 23.149 2.862 -12.892 562 H GLU 69 H GLU 69 18.497 3.120 -13.024 563 HA GLU 69 HA GLU 69 16.035 3.366 -11.810 564 1HB GLU 69 2HB GLU 69 15.200 4.357 -13.975 565 2HB GLU 69 1HB GLU 69 16.741 5.016 -13.426 566 1HG GLU 69 2HG GLU 69 17.595 2.903 -14.925 567 2HG GLU 69 1HG GLU 69 16.138 3.369 -15.805 568 H ASP 70 H ASP 70 16.811 1.158 -14.504 569 HA ASP 70 HA ASP 70 14.184 0.219 -14.994 570 1HB ASP 70 2HB ASP 70 16.580 -1.610 -14.964 571 2HB ASP 70 1HB ASP 70 15.161 -1.677 -16.011 572 H TYR 71 H TYR 71 16.634 -1.032 -12.705 573 HA TYR 71 HA TYR 71 15.608 -3.134 -11.415 574 1HB TYR 71 2HB TYR 71 17.379 -2.098 -10.260 575 2HB TYR 71 1HB TYR 71 16.556 -0.546 -10.203 576 HD1 TYR 71 HD1 TYR 71 16.128 0.056 -8.036 577 HD2 TYR 71 HD2 TYR 71 15.501 -4.027 -9.211 578 HE1 TYR 71 HE1 TYR 71 15.179 -0.430 -5.793 579 HE2 TYR 71 HE2 TYR 71 14.554 -4.518 -6.959 580 HH TYR 71 HH TYR 71 14.894 -2.450 -4.327 581 H LEU 72 H LEU 72 14.320 0.113 -10.823 582 HA LEU 72 HA LEU 72 12.323 -0.539 -9.048 583 1HB LEU 72 2HB LEU 72 11.919 1.415 -11.300 584 2HB LEU 72 1HB LEU 72 11.211 1.461 -9.684 585 HG LEU 72 HG LEU 72 14.087 1.923 -10.460 586 1HD1 LEU 72 1HD1 LEU 72 12.233 3.537 -8.709 587 2HD1 LEU 72 2HD1 LEU 72 12.292 3.746 -10.460 588 3HD1 LEU 72 3HD1 LEU 72 13.724 4.058 -9.489 589 1HD2 LEU 72 1HD2 LEU 72 13.800 0.366 -8.448 590 2HD2 LEU 72 2HD2 LEU 72 13.002 1.717 -7.654 591 3HD2 LEU 72 3HD2 LEU 72 14.681 1.859 -8.146 592 H ARG 73 H ARG 73 11.844 -0.283 -12.560 593 HA ARG 73 HA ARG 73 9.215 -1.433 -12.485 594 1HB ARG 73 2HB ARG 73 11.304 -1.273 -14.676 595 2HB ARG 73 1HB ARG 73 9.719 -2.000 -14.943 596 1HG ARG 73 2HG ARG 73 9.143 0.410 -13.662 597 2HG ARG 73 1HG ARG 73 10.452 0.818 -14.771 598 1HD ARG 73 2HD ARG 73 7.813 -0.501 -15.459 599 2HD ARG 73 1HD ARG 73 8.386 1.083 -15.985 600 HE ARG 73 HE ARG 73 10.271 -0.861 -16.852 601 1HH1 ARG 73 2HH1 ARG 73 7.042 -1.435 -17.145 602 2HH1 ARG 73 1HH1 ARG 73 6.962 -1.291 -18.869 603 1HH2 ARG 73 1HH2 ARG 73 10.167 -0.006 -19.180 604 2HH2 ARG 73 2HH2 ARG 73 8.729 -0.483 -20.022 605 H GLN 74 H GLN 74 12.394 -2.939 -13.097 606 HA GLN 74 HA GLN 74 11.402 -5.585 -13.428 607 1HB GLN 74 2HB GLN 74 13.815 -4.599 -13.828 608 2HB GLN 74 1HB GLN 74 14.066 -4.999 -12.136 609 1HG GLN 74 2HG GLN 74 14.725 -7.004 -13.033 610 2HG GLN 74 1HG GLN 74 12.996 -7.327 -12.927 611 1HE2 GLN 74 1HE2 GLN 74 11.722 -6.592 -15.000 612 2HE2 GLN 74 2HE2 GLN 74 12.483 -6.881 -16.489 613 H ALA 75 H ALA 75 11.464 -3.588 -10.747 614 HA ALA 75 HA ALA 75 11.678 -5.716 -8.741 615 1HB ALA 75 1HB ALA 75 10.819 -3.280 -7.579 616 2HB ALA 75 2HB ALA 75 11.935 -2.826 -8.866 617 3HB ALA 75 3HB ALA 75 12.464 -3.918 -7.589 618 H PHE 76 H PHE 76 9.346 -3.168 -9.539 619 HA PHE 76 HA PHE 76 7.161 -4.761 -8.366 620 1HB PHE 76 2HB PHE 76 6.229 -2.747 -7.838 621 2HB PHE 76 1HB PHE 76 7.841 -2.131 -8.118 622 HD1 PHE 76 HD1 PHE 76 4.672 -1.236 -8.643 623 HD2 PHE 76 HD2 PHE 76 8.163 -2.106 -10.977 624 HE1 PHE 76 HE1 PHE 76 3.779 0.159 -10.471 625 HE2 PHE 76 HE2 PHE 76 7.275 -0.710 -12.813 626 HZ PHE 76 HZ PHE 76 5.086 0.417 -12.581 627 H ARG 77 H ARG 77 8.400 -5.364 -11.060 628 HA ARG 77 HA ARG 77 5.840 -5.448 -12.537 629 1HB ARG 77 2HB ARG 77 7.905 -3.550 -13.152 630 2HB ARG 77 1HB ARG 77 7.817 -4.708 -14.462 631 1HG ARG 77 2HG ARG 77 5.495 -3.132 -13.321 632 2HG ARG 77 1HG ARG 77 6.267 -2.864 -14.885 633 1HD ARG 77 2HD ARG 77 5.399 -5.642 -14.462 634 2HD ARG 77 1HD ARG 77 4.073 -4.479 -14.473 635 HE ARG 77 HE ARG 77 5.966 -4.930 -16.732 636 1HH1 ARG 77 2HH1 ARG 77 5.398 -2.543 -17.674 637 2HH1 ARG 77 1HH1 ARG 77 3.739 -2.487 -18.168 638 1HH2 ARG 77 2HH2 ARG 77 2.287 -4.054 -17.432 639 2HH2 ARG 77 1HH2 ARG 77 2.834 -5.312 -16.373 640 H GLU 78 H GLU 78 9.288 -6.284 -12.481 641 HA GLU 78 HA GLU 78 9.283 -8.278 -14.469 642 1HB GLU 78 2HB GLU 78 11.400 -8.719 -13.733 643 2HB GLU 78 1HB GLU 78 11.146 -7.271 -12.775 644 1HG GLU 78 2HG GLU 78 11.839 -8.741 -11.120 645 2HG GLU 78 1HG GLU 78 10.094 -8.993 -11.048 646 H LEU 79 H LEU 79 7.707 -8.280 -11.410 647 HA LEU 79 HA LEU 79 7.442 -11.240 -11.459 648 1HB LEU 79 2HB LEU 79 6.526 -9.262 -9.360 649 2HB LEU 79 1HB LEU 79 6.533 -11.017 -9.206 650 HG LEU 79 HG LEU 79 9.125 -10.560 -9.928 651 1HD1 LEU 79 1HD1 LEU 79 8.296 -8.019 -9.544 652 2HD1 LEU 79 2HD1 LEU 79 9.941 -8.549 -9.190 653 3HD1 LEU 79 3HD1 LEU 79 8.755 -8.425 -7.890 654 1HD2 LEU 79 1HD2 LEU 79 9.636 -10.855 -7.515 655 2HD2 LEU 79 2HD2 LEU 79 8.360 -11.949 -8.048 656 3HD2 LEU 79 3HD2 LEU 79 7.953 -10.500 -7.127 657 H ASP 80 H ASP 80 5.159 -8.556 -10.687 658 HA ASP 80 HA ASP 80 3.327 -8.919 -12.753 659 1HB ASP 80 2HB ASP 80 1.670 -10.464 -11.455 660 2HB ASP 80 1HB ASP 80 2.982 -11.194 -12.396 661 H LEU 81 H LEU 81 3.315 -8.844 -9.196 662 HA LEU 81 HA LEU 81 2.449 -7.173 -7.793 663 1HB LEU 81 2HB LEU 81 0.899 -6.044 -10.117 664 2HB LEU 81 1HB LEU 81 1.401 -5.255 -8.634 665 HG LEU 81 HG LEU 81 2.971 -5.771 -11.119 666 1HD1 LEU 81 1HD1 LEU 81 3.902 -3.536 -9.754 667 2HD1 LEU 81 2HD1 LEU 81 2.182 -3.568 -9.377 668 3HD1 LEU 81 3HD1 LEU 81 2.715 -3.534 -11.058 669 1HD2 LEU 81 1HD2 LEU 81 3.969 -6.329 -8.415 670 2HD2 LEU 81 2HD2 LEU 81 4.901 -5.096 -9.246 671 3HD2 LEU 81 3HD2 LEU 81 4.703 -6.684 -9.970 672 H ASP 82 H ASP 82 1.381 -9.758 -8.226 673 HA ASP 82 HA ASP 82 -1.434 -9.216 -7.513 674 1HB ASP 82 2HB ASP 82 -2.356 -10.775 -9.065 675 2HB ASP 82 1HB ASP 82 -1.268 -9.744 -9.994 676 H VAL 83 H VAL 83 1.416 -10.958 -6.928 677 HA VAL 83 HA VAL 83 0.407 -12.237 -4.626 678 HB VAL 83 HB VAL 83 0.788 -14.655 -5.816 679 1HG1 VAL 83 1HG1 VAL 83 -1.250 -14.925 -4.907 680 2HG1 VAL 83 2HG1 VAL 83 -1.975 -13.896 -6.141 681 3HG1 VAL 83 3HG1 VAL 83 -1.329 -13.179 -4.665 682 1HG2 VAL 83 1HG2 VAL 83 -0.098 -14.752 -7.981 683 2HG2 VAL 83 2HG2 VAL 83 0.832 -13.254 -8.036 684 3HG2 VAL 83 3HG2 VAL 83 -0.918 -13.199 -7.821 685 H ASP 84 H ASP 84 2.729 -12.456 -7.289 686 HA ASP 84 HA ASP 84 4.738 -13.912 -5.851 687 1HB ASP 84 2HB ASP 84 4.796 -12.069 -8.232 688 2HB ASP 84 1HB ASP 84 6.291 -12.697 -7.543 689 H ILE 85 H ILE 85 3.908 -10.504 -6.021 690 HA ILE 85 HA ILE 85 6.219 -9.830 -4.274 691 HB ILE 85 HB ILE 85 4.806 -7.478 -4.614 692 1HG1 ILE 85 2HG1 ILE 85 3.349 -8.780 -6.268 693 2HG1 ILE 85 1HG1 ILE 85 4.090 -7.309 -6.886 694 1HG2 ILE 85 1HG2 ILE 85 6.567 -7.080 -6.452 695 2HG2 ILE 85 2HG2 ILE 85 7.096 -8.730 -6.123 696 3HG2 ILE 85 3HG2 ILE 85 7.157 -7.514 -4.848 697 1HD1 ILE 85 1HD1 ILE 85 5.082 -8.497 -8.508 698 2HD1 ILE 85 2HD1 ILE 85 4.388 -9.982 -7.864 699 3HD1 ILE 85 3HD1 ILE 85 5.957 -9.423 -7.289 700 H SER 86 H SER 86 3.295 -11.103 -3.802 701 HA SER 86 HA SER 86 2.143 -9.362 -1.798 702 1HB SER 86 2HB SER 86 0.583 -11.109 -1.430 703 2HB SER 86 1HB SER 86 0.999 -11.255 -3.135 704 HG SER 86 HG SER 86 1.244 -13.269 -2.345 705 H THR 87 H THR 87 1.873 -11.851 0.070 706 HA THR 87 HA THR 87 4.409 -11.294 1.544 707 HB THR 87 HB THR 87 3.268 -11.964 3.524 708 HG1 THR 87 HG1 THR 87 0.997 -12.804 2.133 709 1HG2 THR 87 1HG2 THR 87 1.636 -10.328 1.629 710 2HG2 THR 87 2HG2 THR 87 2.369 -9.868 3.165 711 3HG2 THR 87 3HG2 THR 87 0.889 -10.827 3.148 712 H LEU 88 H LEU 88 2.529 -13.641 -0.095 713 HA LEU 88 HA LEU 88 4.160 -15.930 0.781 714 1HB LEU 88 2HB LEU 88 1.646 -15.451 -0.760 715 2HB LEU 88 1HB LEU 88 2.532 -16.920 -1.093 716 HG LEU 88 HG LEU 88 1.869 -17.884 0.856 717 1HD1 LEU 88 1HD1 LEU 88 1.694 -16.422 3.017 718 2HD1 LEU 88 2HD1 LEU 88 2.573 -15.218 2.074 719 3HD1 LEU 88 3HD1 LEU 88 3.296 -16.797 2.380 720 1HD2 LEU 88 1HD2 LEU 88 -0.327 -17.417 0.859 721 2HD2 LEU 88 2HD2 LEU 88 -0.010 -15.862 0.088 722 3HD2 LEU 88 3HD2 LEU 88 -0.010 -15.991 1.847 723 H LEU 89 H LEU 89 4.956 -17.389 -1.088 724 HA LEU 89 HA LEU 89 5.629 -15.962 -3.571 725 1HB LEU 89 2HB LEU 89 7.645 -16.593 -1.431 726 2HB LEU 89 1HB LEU 89 8.129 -16.622 -3.128 727 HG LEU 89 HG LEU 89 6.619 -14.271 -2.843 728 1HD1 LEU 89 1HD1 LEU 89 8.296 -13.282 -0.998 729 2HD1 LEU 89 2HD1 LEU 89 8.196 -14.938 -0.399 730 3HD1 LEU 89 3HD1 LEU 89 6.731 -13.969 -0.559 731 1HD2 LEU 89 1HD2 LEU 89 9.248 -13.460 -2.761 732 2HD2 LEU 89 2HD2 LEU 89 8.383 -13.916 -4.229 733 3HD2 LEU 89 3HD2 LEU 89 9.390 -15.100 -3.396 734 H ARG 90 H ARG 90 6.879 -18.780 -1.728 735 HA ARG 90 HA ARG 90 7.306 -20.475 -3.912 736 1HB ARG 90 2HB ARG 90 7.052 -20.778 -1.054 737 2HB ARG 90 1HB ARG 90 6.261 -22.124 -1.874 738 1HG ARG 90 2HG ARG 90 8.647 -21.698 -3.297 739 2HG ARG 90 1HG ARG 90 9.094 -21.574 -1.596 740 1HD ARG 90 2HD ARG 90 8.122 -23.738 -1.117 741 2HD ARG 90 1HD ARG 90 7.452 -23.845 -2.745 742 HE ARG 90 HE ARG 90 10.408 -23.692 -2.379 743 1HH1 ARG 90 2HH1 ARG 90 9.971 -24.136 -5.070 744 2HH1 ARG 90 1HH1 ARG 90 9.736 -25.841 -5.265 745 1HH2 ARG 90 2HH2 ARG 90 9.218 -27.123 -3.476 746 2HH2 ARG 90 1HH2 ARG 90 9.055 -26.400 -1.911 747 H ASN 91 HN ASN 91 4.283 -19.933 -2.124 748 HA ASN 91 HA ASN 91 2.858 -21.653 -4.091 749 1HB ASN 91 2HB ASN 91 0.893 -21.232 -2.504 750 2HB ASN 91 1HB ASN 91 2.230 -22.180 -1.850 751 1HD2 ASN 91 1HD2 ASN 91 1.672 -21.462 0.358 752 2HD2 ASN 91 2HD2 ASN 91 2.046 -19.889 0.873 Start of MODEL 19 1 1H GLY 1 1H GLY 1 -16.691 20.587 -15.639 2 2H GLY 1 2H GLY 1 -15.588 21.812 -16.044 3 3H GLY 1 3H GLY 1 -17.129 22.217 -15.455 4 1HA GLY 1 1HA GLY 1 -14.840 21.374 -13.946 5 2HA GLY 1 2HA GLY 1 -16.119 22.531 -13.468 6 H SER 2 H SER 2 -14.614 19.337 -14.435 7 HA SER 2 HA SER 2 -16.172 17.678 -12.641 8 1HB SER 2 2HB SER 2 -14.023 16.142 -13.126 9 2HB SER 2 1HB SER 2 -15.304 16.362 -14.315 10 HG SER 2 HG SER 2 -12.901 16.804 -14.817 11 H ARG 3 H ARG 3 -15.945 18.708 -10.572 12 HA ARG 3 HA ARG 3 -13.205 18.753 -9.416 13 1HB ARG 3 2HB ARG 3 -15.847 19.959 -8.589 14 2HB ARG 3 1HB ARG 3 -14.494 19.855 -7.460 15 1HG ARG 3 2HG ARG 3 -13.350 20.851 -9.802 16 2HG ARG 3 1HG ARG 3 -14.899 21.688 -9.692 17 1HD ARG 3 2HD ARG 3 -13.704 21.571 -7.078 18 2HD ARG 3 1HD ARG 3 -12.533 22.230 -8.220 19 HE ARG 3 HE ARG 3 -15.237 23.395 -8.362 20 1HH1 ARG 3 2HH1 ARG 3 -13.299 25.120 -9.436 21 2HH1 ARG 3 1HH1 ARG 3 -12.774 26.117 -8.122 22 1HH2 ARG 3 2HH2 ARG 3 -13.173 25.481 -5.991 23 2HH2 ARG 3 1HH2 ARG 3 -14.006 23.997 -5.672 24 H ILE 4 H ILE 4 -13.607 16.241 -9.670 25 HA ILE 4 HA ILE 4 -15.322 15.000 -7.687 26 HB ILE 4 HB ILE 4 -14.537 12.950 -8.530 27 1HG1 ILE 4 2HG1 ILE 4 -12.147 13.286 -8.080 28 2HG1 ILE 4 1HG1 ILE 4 -12.371 12.731 -9.737 29 1HG2 ILE 4 1HG2 ILE 4 -13.791 14.301 -11.019 30 2HG2 ILE 4 2HG2 ILE 4 -15.249 14.973 -10.292 31 3HG2 ILE 4 3HG2 ILE 4 -15.170 13.255 -10.680 32 1HD1 ILE 4 1HD1 ILE 4 -11.886 15.582 -8.839 33 2HD1 ILE 4 2HD1 ILE 4 -12.270 15.116 -10.494 34 3HD1 ILE 4 3HD1 ILE 4 -10.774 14.559 -9.746 35 H ALA 5 H ALA 5 -14.560 13.729 -5.854 36 HA ALA 5 HA ALA 5 -12.152 14.950 -4.596 37 1HB ALA 5 1HB ALA 5 -13.111 13.855 -2.497 38 2HB ALA 5 2HB ALA 5 -14.538 13.473 -3.460 39 3HB ALA 5 3HB ALA 5 -14.081 15.154 -3.190 40 H LYS 6 H LYS 6 -12.721 12.408 -6.504 41 HA LYS 6 HA LYS 6 -11.897 10.073 -5.220 42 1HB LYS 6 2HB LYS 6 -11.114 11.032 -7.989 43 2HB LYS 6 1HB LYS 6 -11.005 9.369 -7.420 44 1HG LYS 6 2HG LYS 6 -13.641 10.560 -6.958 45 2HG LYS 6 1HG LYS 6 -13.205 10.492 -8.666 46 1HD LYS 6 2HD LYS 6 -13.309 8.222 -8.732 47 2HD LYS 6 1HD LYS 6 -12.557 8.048 -7.146 48 1HE LYS 6 2HE LYS 6 -14.630 7.459 -6.434 49 2HE LYS 6 1HE LYS 6 -14.989 9.184 -6.516 50 1HZ LYS 6 1HZ LYS 6 -16.102 8.958 -8.473 51 2HZ LYS 6 2HZ LYS 6 -16.430 7.432 -7.802 52 3HZ LYS 6 3HZ LYS 6 -15.209 7.605 -8.972 53 H ARG 7 H ARG 7 -9.380 11.145 -7.381 54 HA ARG 7 HA ARG 7 -7.302 10.474 -5.577 55 1HB ARG 7 2HB ARG 7 -7.259 12.312 -7.986 56 2HB ARG 7 1HB ARG 7 -5.851 11.593 -7.220 57 1HG ARG 7 2HG ARG 7 -8.136 9.969 -8.348 58 2HG ARG 7 1HG ARG 7 -6.665 10.339 -9.250 59 1HD ARG 7 2HD ARG 7 -5.372 8.916 -7.997 60 2HD ARG 7 1HD ARG 7 -6.298 9.206 -6.523 61 HE ARG 7 HE ARG 7 -7.961 7.790 -8.349 62 1HH1 ARG 7 2HH1 ARG 7 -8.549 5.897 -7.041 63 2HH1 ARG 7 1HH1 ARG 7 -7.243 4.862 -6.567 64 1HH2 ARG 7 2HH2 ARG 7 -5.103 5.551 -6.824 65 2HH2 ARG 7 1HH2 ARG 7 -4.773 7.113 -7.493 66 H THR 8 H THR 8 -5.891 11.841 -4.366 67 HA THR 8 HA THR 8 -6.651 14.693 -4.099 68 HB THR 8 HB THR 8 -6.423 12.915 -1.662 69 HG1 THR 8 HG1 THR 8 -8.890 13.755 -2.000 70 1HG2 THR 8 1HG2 THR 8 -7.484 15.718 -2.117 71 2HG2 THR 8 2HG2 THR 8 -5.980 15.297 -1.301 72 3HG2 THR 8 3HG2 THR 8 -7.528 14.857 -0.578 73 H ALA 9 H ALA 9 -4.476 12.047 -3.164 74 HA ALA 9 HA ALA 9 -2.344 14.014 -2.540 75 1HB ALA 9 1HB ALA 9 -1.692 12.446 -1.064 76 2HB ALA 9 2HB ALA 9 -1.423 11.307 -2.385 77 3HB ALA 9 3HB ALA 9 -3.004 11.400 -1.607 78 H ILE 10 H ILE 10 -0.113 13.441 -3.470 79 HA ILE 10 HA ILE 10 -0.462 12.916 -6.372 80 HB ILE 10 HB ILE 10 1.854 14.129 -4.835 81 1HG1 ILE 10 2HG1 ILE 10 0.929 16.054 -6.509 82 2HG1 ILE 10 1HG1 ILE 10 -0.574 15.195 -6.169 83 1HG2 ILE 10 1HG2 ILE 10 2.309 14.836 -7.373 84 2HG2 ILE 10 2HG2 ILE 10 1.458 13.323 -7.684 85 3HG2 ILE 10 3HG2 ILE 10 2.928 13.324 -6.712 86 1HD1 ILE 10 1HD1 ILE 10 -0.235 15.460 -3.772 87 2HD1 ILE 10 2HD1 ILE 10 -0.126 17.041 -4.545 88 3HD1 ILE 10 3HD1 ILE 10 1.342 16.200 -4.046 89 H ASN 11 H ASN 11 -0.188 10.858 -4.068 90 HA ASN 11 HA ASN 11 2.263 9.519 -4.105 91 1HB ASN 11 2HB ASN 11 0.579 8.601 -2.703 92 2HB ASN 11 1HB ASN 11 -0.571 8.470 -4.032 93 1HD2 ASN 11 1HD2 ASN 11 2.856 7.382 -3.692 94 2HD2 ASN 11 2HD2 ASN 11 2.535 5.768 -4.107 95 H LYS 12 H LYS 12 3.302 9.651 -6.143 96 HA LYS 12 HA LYS 12 3.669 9.200 -8.428 97 1HB LYS 12 2HB LYS 12 2.370 6.542 -8.062 98 2HB LYS 12 1HB LYS 12 3.950 6.938 -8.737 99 1HG LYS 12 2HG LYS 12 3.314 7.205 -5.788 100 2HG LYS 12 1HG LYS 12 3.992 5.739 -6.492 101 1HD LYS 12 2HD LYS 12 5.912 7.039 -7.352 102 2HD LYS 12 1HD LYS 12 5.244 8.498 -6.618 103 1HE LYS 12 2HE LYS 12 6.119 7.953 -4.617 104 2HE LYS 12 1HE LYS 12 5.343 6.372 -4.666 105 1HZ LYS 12 1HZ LYS 12 7.281 5.440 -5.118 106 2HZ LYS 12 2HZ LYS 12 8.041 6.953 -4.967 107 3HZ LYS 12 3HZ LYS 12 7.490 6.424 -6.485 108 H THR 13 H THR 13 1.455 10.715 -8.318 109 HA THR 13 HA THR 13 -1.073 9.951 -8.963 110 HB THR 13 HB THR 13 0.443 12.013 -10.583 111 HG1 THR 13 HG1 THR 13 -0.477 11.926 -7.961 112 1HG2 THR 13 1HG2 THR 13 -2.475 11.548 -9.943 113 2HG2 THR 13 2HG2 THR 13 -1.717 11.636 -11.533 114 3HG2 THR 13 3HG2 THR 13 -1.868 13.090 -10.547 115 H LYS 14 H LYS 14 -2.238 9.628 -11.012 116 HA LYS 14 HA LYS 14 -1.531 7.438 -12.505 117 1HB LYS 14 2HB LYS 14 -2.897 9.890 -13.658 118 2HB LYS 14 1HB LYS 14 -3.017 8.241 -14.272 119 1HG LYS 14 2HG LYS 14 -3.657 8.449 -11.418 120 2HG LYS 14 1HG LYS 14 -4.742 9.390 -12.441 121 1HD LYS 14 2HD LYS 14 -5.227 7.429 -13.806 122 2HD LYS 14 1HD LYS 14 -4.054 6.473 -12.899 123 1HE LYS 14 2HE LYS 14 -5.379 6.467 -10.952 124 2HE LYS 14 1HE LYS 14 -6.338 7.845 -11.492 125 1HZ LYS 14 1HZ LYS 14 -7.575 6.558 -12.892 126 2HZ LYS 14 2HZ LYS 14 -7.260 5.424 -11.667 127 3HZ LYS 14 3HZ LYS 14 -6.357 5.399 -13.106 128 H LYS 15 H LYS 15 -0.776 10.810 -13.445 129 HA LYS 15 HA LYS 15 0.736 10.159 -15.758 130 1HB LYS 15 2HB LYS 15 1.017 12.469 -13.812 131 2HB LYS 15 1HB LYS 15 1.853 12.381 -15.363 132 1HG LYS 15 2HG LYS 15 -0.604 11.905 -16.266 133 2HG LYS 15 1HG LYS 15 -1.061 12.769 -14.798 134 1HD LYS 15 2HD LYS 15 1.101 14.175 -16.058 135 2HD LYS 15 1HD LYS 15 -0.158 13.877 -17.256 136 1HE LYS 15 2HE LYS 15 -1.019 15.802 -16.333 137 2HE LYS 15 1HE LYS 15 -1.722 14.636 -15.213 138 1HZ LYS 15 1HZ LYS 15 -0.558 15.509 -13.566 139 2HZ LYS 15 2HZ LYS 15 0.015 16.712 -14.620 140 3HZ LYS 15 3HZ LYS 15 0.899 15.279 -14.402 141 H ALA 16 H ALA 16 1.748 10.572 -12.365 142 HA ALA 16 HA ALA 16 4.441 9.572 -13.053 143 1HB ALA 16 1HB ALA 16 5.157 10.558 -11.121 144 2HB ALA 16 2HB ALA 16 3.744 10.022 -10.212 145 3HB ALA 16 3HB ALA 16 3.639 11.448 -11.244 146 H ASP 17 H ASP 17 2.166 7.812 -13.330 147 HA ASP 17 HA ASP 17 2.276 5.957 -11.040 148 1HB ASP 17 2HB ASP 17 0.180 6.438 -12.405 149 2HB ASP 17 1HB ASP 17 0.936 5.540 -13.721 150 H VAL 18 H VAL 18 3.650 6.336 -14.227 151 HA VAL 18 HA VAL 18 5.053 3.721 -13.859 152 HB VAL 18 HB VAL 18 4.783 5.009 -16.554 153 1HG1 VAL 18 1HG1 VAL 18 6.214 3.015 -16.209 154 2HG1 VAL 18 2HG1 VAL 18 4.853 2.660 -17.273 155 3HG1 VAL 18 3HG1 VAL 18 4.818 2.133 -15.590 156 1HG2 VAL 18 1HG2 VAL 18 2.512 4.992 -16.255 157 2HG2 VAL 18 2HG2 VAL 18 2.600 3.865 -14.902 158 3HG2 VAL 18 3HG2 VAL 18 2.699 3.265 -16.557 159 H LYS 19 H LYS 19 5.335 7.146 -14.332 160 HA LYS 19 HA LYS 19 8.188 6.937 -15.073 161 1HB LYS 19 2HB LYS 19 8.166 9.265 -15.409 162 2HB LYS 19 1HB LYS 19 6.533 8.795 -15.867 163 1HG LYS 19 2HG LYS 19 6.170 9.224 -13.221 164 2HG LYS 19 1HG LYS 19 7.464 10.373 -13.540 165 1HD LYS 19 2HD LYS 19 4.935 10.193 -15.193 166 2HD LYS 19 1HD LYS 19 5.163 11.337 -13.870 167 1HE LYS 19 2HE LYS 19 7.382 11.927 -15.176 168 2HE LYS 19 1HE LYS 19 6.514 11.237 -16.547 169 1HZ LYS 19 1HZ LYS 19 5.658 13.501 -14.833 170 2HZ LYS 19 2HZ LYS 19 4.642 12.745 -15.967 171 3HZ LYS 19 3HZ LYS 19 6.048 13.549 -16.483 172 H ALA 20 H ALA 20 6.174 7.644 -12.272 173 HA ALA 20 HA ALA 20 8.299 8.507 -10.512 174 1HB ALA 20 1HB ALA 20 6.725 8.058 -8.717 175 2HB ALA 20 2HB ALA 20 5.742 7.043 -9.773 176 3HB ALA 20 3HB ALA 20 5.829 8.783 -10.053 177 H ILE 21 H ILE 21 6.777 5.372 -11.211 178 HA ILE 21 HA ILE 21 8.257 3.782 -9.406 179 HB ILE 21 HB ILE 21 7.212 3.128 -12.174 180 1HG1 ILE 21 2HG1 ILE 21 5.213 3.271 -11.125 181 2HG1 ILE 21 1HG1 ILE 21 5.680 1.808 -10.273 182 1HG2 ILE 21 1HG2 ILE 21 8.945 1.620 -10.510 183 2HG2 ILE 21 2HG2 ILE 21 8.149 1.108 -11.991 184 3HG2 ILE 21 3HG2 ILE 21 7.358 0.863 -10.435 185 1HD1 ILE 21 1HD1 ILE 21 6.067 4.659 -9.318 186 2HD1 ILE 21 2HD1 ILE 21 6.713 3.243 -8.490 187 3HD1 ILE 21 3HD1 ILE 21 4.968 3.458 -8.641 188 H ALA 22 H ALA 22 9.397 5.535 -12.143 189 HA ALA 22 HA ALA 22 11.783 3.778 -12.374 190 1HB ALA 22 1HB ALA 22 11.817 6.149 -14.057 191 2HB ALA 22 2HB ALA 22 10.314 5.245 -14.255 192 3HB ALA 22 3HB ALA 22 11.865 4.448 -14.525 193 H ASP 23 H ASP 23 11.102 7.277 -11.979 194 HA ASP 23 HA ASP 23 13.841 7.639 -10.909 195 1HB ASP 23 2HB ASP 23 12.663 9.183 -12.625 196 2HB ASP 23 1HB ASP 23 11.786 9.815 -11.230 197 H ALA 24 H ALA 24 11.314 6.428 -9.429 198 HA ALA 24 HA ALA 24 11.125 8.347 -7.185 199 1HB ALA 24 1HB ALA 24 9.377 6.813 -6.317 200 2HB ALA 24 2HB ALA 24 9.651 5.771 -7.714 201 3HB ALA 24 3HB ALA 24 9.034 7.407 -7.943 202 H TRP 25 H TRP 25 11.908 4.869 -7.503 203 HA TRP 25 HA TRP 25 12.929 5.013 -4.740 204 1HB TRP 25 2HB TRP 25 13.237 2.416 -6.024 205 2HB TRP 25 1HB TRP 25 12.389 2.856 -4.561 206 HD1 TRP 25 HD1 TRP 25 10.188 4.811 -6.003 207 HE1 TRP 25 HE1 TRP 25 8.342 3.742 -7.392 208 HE3 TRP 25 HE3 TRP 25 12.226 0.198 -6.853 209 HZ2 TRP 25 HZ2 TRP 25 7.789 1.287 -8.682 210 HZ3 TRP 25 HZ3 TRP 25 10.973 -1.465 -8.164 211 HH2 TRP 25 HH2 TRP 25 8.767 -0.919 -9.085 212 H GLN 26 H GLN 26 14.851 2.719 -5.377 213 HA GLN 26 HA GLN 26 17.192 4.337 -5.650 214 1HB GLN 26 2HB GLN 26 17.322 2.214 -4.502 215 2HB GLN 26 1HB GLN 26 16.788 1.349 -5.944 216 1HG GLN 26 2HG GLN 26 18.921 1.188 -6.634 217 2HG GLN 26 1HG GLN 26 19.033 2.948 -6.679 218 1HE2 GLN 26 1HE2 GLN 26 20.620 3.783 -5.323 219 2HE2 GLN 26 2HE2 GLN 26 21.190 3.037 -3.910 220 H ILE 27 H ILE 27 16.738 5.536 -7.648 221 HA ILE 27 HA ILE 27 17.257 3.922 -10.105 222 HB ILE 27 HB ILE 27 15.389 4.877 -10.948 223 1HG1 ILE 27 2HG1 ILE 27 17.225 6.583 -11.691 224 2HG1 ILE 27 1HG1 ILE 27 15.533 7.038 -11.871 225 1HG2 ILE 27 1HG2 ILE 27 15.379 6.834 -8.655 226 2HG2 ILE 27 2HG2 ILE 27 14.723 5.208 -8.560 227 3HG2 ILE 27 3HG2 ILE 27 14.007 6.384 -9.649 228 1HD1 ILE 27 1HD1 ILE 27 15.622 8.587 -10.163 229 2HD1 ILE 27 2HD1 ILE 27 17.300 8.667 -10.697 230 3HD1 ILE 27 3HD1 ILE 27 16.868 7.705 -9.284 231 H ASN 28 H ASN 28 18.128 6.704 -8.173 232 HA ASN 28 HA ASN 28 20.687 6.881 -9.637 233 1HB ASN 28 2HB ASN 28 19.146 8.537 -10.725 234 2HB ASN 28 1HB ASN 28 18.959 9.326 -9.159 235 1HD2 ASN 28 1HD2 ASN 28 20.488 10.909 -8.661 236 2HD2 ASN 28 2HD2 ASN 28 21.970 11.110 -9.455 237 H GLY 29 H GLY 29 18.664 8.089 -6.993 238 1HA GLY 29 2HA GLY 29 19.622 7.726 -4.683 239 2HA GLY 29 1HA GLY 29 21.141 8.343 -5.340 240 H GLU 30 H GLU 30 20.069 10.402 -6.939 241 HA GLU 30 HA GLU 30 19.098 12.275 -4.828 242 1HB GLU 30 2HB GLU 30 21.334 12.806 -5.826 243 2HB GLU 30 1HB GLU 30 20.567 12.911 -7.411 244 1HG GLU 30 2HG GLU 30 20.069 15.057 -6.985 245 2HG GLU 30 1HG GLU 30 19.020 14.521 -5.673 246 H LYS 31 H LYS 31 18.715 11.214 -8.182 247 HA LYS 31 HA LYS 31 16.562 12.987 -8.858 248 1HB LYS 31 2HB LYS 31 17.616 10.389 -9.910 249 2HB LYS 31 1HB LYS 31 15.990 10.870 -10.394 250 1HG LYS 31 2HG LYS 31 17.449 11.789 -12.046 251 2HG LYS 31 1HG LYS 31 16.990 13.139 -11.007 252 1HD LYS 31 2HD LYS 31 19.118 12.589 -9.656 253 2HD LYS 31 1HD LYS 31 19.596 11.616 -11.049 254 1HE LYS 31 2HE LYS 31 18.908 14.569 -11.102 255 2HE LYS 31 1HE LYS 31 20.527 13.883 -11.230 256 1HZ LYS 31 1HZ LYS 31 18.763 14.366 -13.290 257 2HZ LYS 31 2HZ LYS 31 18.766 12.677 -13.099 258 3HZ LYS 31 3HZ LYS 31 20.222 13.506 -13.379 259 H GLU 32 H GLU 32 16.727 9.789 -7.342 260 HA GLU 32 HA GLU 32 13.824 9.577 -7.052 261 1HB GLU 32 2HB GLU 32 14.402 7.646 -5.567 262 2HB GLU 32 1HB GLU 32 15.169 7.533 -7.145 263 1HG GLU 32 2HG GLU 32 17.163 7.389 -6.122 264 2HG GLU 32 1HG GLU 32 16.931 9.032 -5.522 265 H LEU 33 H LEU 33 16.468 11.015 -5.397 266 HA LEU 33 HA LEU 33 15.372 11.147 -2.754 267 1HB LEU 33 2HB LEU 33 17.758 11.575 -3.265 268 2HB LEU 33 1HB LEU 33 17.303 13.017 -4.168 269 HG LEU 33 HG LEU 33 18.084 13.309 -1.714 270 1HD1 LEU 33 1HD1 LEU 33 15.603 14.718 -1.652 271 2HD1 LEU 33 2HD1 LEU 33 16.143 14.649 -3.330 272 3HD1 LEU 33 3HD1 LEU 33 17.194 15.337 -2.093 273 1HD2 LEU 33 1HD2 LEU 33 16.408 11.409 -1.063 274 2HD2 LEU 33 2HD2 LEU 33 15.206 12.700 -1.100 275 3HD2 LEU 33 3HD2 LEU 33 16.578 12.804 0.004 276 H GLU 34 H GLU 34 15.115 13.222 -5.593 277 HA GLU 34 HA GLU 34 13.671 15.321 -4.274 278 1HB GLU 34 2HB GLU 34 14.994 15.366 -6.501 279 2HB GLU 34 1HB GLU 34 13.512 14.727 -7.220 280 1HG GLU 34 2HG GLU 34 12.273 16.625 -6.672 281 2HG GLU 34 1HG GLU 34 13.385 17.070 -5.377 282 H LEU 35 H LEU 35 12.550 12.837 -6.636 283 HA LEU 35 HA LEU 35 9.846 13.432 -6.542 284 1HB LEU 35 2HB LEU 35 11.002 11.620 -7.945 285 2HB LEU 35 1HB LEU 35 10.852 10.577 -6.534 286 HG LEU 35 HG LEU 35 8.974 10.580 -8.406 287 1HD1 LEU 35 1HD1 LEU 35 7.365 9.848 -6.754 288 2HD1 LEU 35 2HD1 LEU 35 8.200 10.737 -5.483 289 3HD1 LEU 35 3HD1 LEU 35 8.964 9.330 -6.219 290 1HD2 LEU 35 1HD2 LEU 35 8.120 12.860 -6.602 291 2HD2 LEU 35 2HD2 LEU 35 7.142 12.128 -7.869 292 3HD2 LEU 35 3HD2 LEU 35 8.599 13.030 -8.288 293 H LEU 36 H LEU 36 11.486 11.079 -4.397 294 HA LEU 36 HA LEU 36 9.157 10.798 -2.758 295 1HB LEU 36 2HB LEU 36 11.350 9.314 -2.933 296 2HB LEU 36 1HB LEU 36 11.893 10.371 -1.623 297 HG LEU 36 HG LEU 36 10.709 8.347 -0.770 298 1HD1 LEU 36 1HD1 LEU 36 8.858 10.625 -0.231 299 2HD1 LEU 36 2HD1 LEU 36 10.557 10.881 0.131 300 3HD1 LEU 36 3HD1 LEU 36 9.676 9.565 0.907 301 1HD2 LEU 36 1HD2 LEU 36 8.615 7.773 -1.521 302 2HD2 LEU 36 2HD2 LEU 36 9.096 8.709 -2.936 303 3HD2 LEU 36 3HD2 LEU 36 8.110 9.455 -1.679 304 H GLN 37 H GLN 37 11.850 13.037 -2.818 305 HA GLN 37 HA GLN 37 11.495 14.117 -0.197 306 1HB GLN 37 2HB GLN 37 13.472 14.776 -1.360 307 2HB GLN 37 1HB GLN 37 12.562 15.249 -2.792 308 1HG GLN 37 2HG GLN 37 11.463 17.040 -1.336 309 2HG GLN 37 1HG GLN 37 12.695 16.672 -0.129 310 1HE2 GLN 37 1HE2 GLN 37 14.592 16.021 -2.524 311 2HE2 GLN 37 2HE2 GLN 37 15.117 17.550 -3.034 312 H GLN 38 H GLN 38 9.569 14.160 -3.001 313 HA GLN 38 HA GLN 38 7.722 16.068 -1.684 314 1HB GLN 38 2HB GLN 38 8.823 16.207 -4.481 315 2HB GLN 38 1HB GLN 38 7.205 16.822 -4.139 316 1HG GLN 38 2HG GLN 38 9.160 17.687 -2.147 317 2HG GLN 38 1HG GLN 38 9.583 18.220 -3.774 318 1HE2 GLN 38 1HE2 GLN 38 7.180 18.779 -4.969 319 2HE2 GLN 38 2HE2 GLN 38 6.319 19.950 -4.093 320 H ILE 39 H ILE 39 7.748 13.104 -1.860 321 HA ILE 39 HA ILE 39 5.131 12.860 -3.187 322 HB ILE 39 HB ILE 39 7.527 11.240 -3.865 323 1HG1 ILE 39 2HG1 ILE 39 6.891 13.122 -5.303 324 2HG1 ILE 39 1HG1 ILE 39 6.553 11.606 -6.134 325 1HG2 ILE 39 1HG2 ILE 39 5.755 9.735 -5.032 326 2HG2 ILE 39 2HG2 ILE 39 4.625 10.407 -3.856 327 3HG2 ILE 39 3HG2 ILE 39 6.029 9.491 -3.306 328 1HD1 ILE 39 1HD1 ILE 39 4.230 12.173 -4.665 329 2HD1 ILE 39 2HD1 ILE 39 4.440 12.303 -6.411 330 3HD1 ILE 39 3HD1 ILE 39 4.720 13.709 -5.383 331 H ALA 40 H ALA 40 7.432 11.083 -1.079 332 HA ALA 40 HA ALA 40 5.355 9.279 -0.127 333 1HB ALA 40 1HB ALA 40 7.911 9.997 1.330 334 2HB ALA 40 2HB ALA 40 7.815 8.765 0.078 335 3HB ALA 40 3HB ALA 40 6.917 8.564 1.573 336 H GLN 41 H GLN 41 6.119 12.488 0.452 337 HA GLN 41 HA GLN 41 4.910 12.510 3.139 338 1HB GLN 41 2HB GLN 41 5.885 14.861 1.530 339 2HB GLN 41 1HB GLN 41 5.682 14.767 3.283 340 1HG GLN 41 2HG GLN 41 7.597 13.543 3.576 341 2HG GLN 41 1HG GLN 41 7.464 12.738 2.030 342 1HE2 GLN 41 1HE2 GLN 41 9.646 13.237 1.393 343 2HE2 GLN 41 2HE2 GLN 41 10.128 14.814 1.006 344 H LYS 42 H LYS 42 3.985 12.797 -0.081 345 HA LYS 42 HA LYS 42 1.424 14.067 0.836 346 1HB LYS 42 2HB LYS 42 1.334 15.510 -0.956 347 2HB LYS 42 1HB LYS 42 3.078 15.416 -0.728 348 1HG LYS 42 2HG LYS 42 2.443 13.250 -2.418 349 2HG LYS 42 1HG LYS 42 1.493 14.604 -3.020 350 1HD LYS 42 2HD LYS 42 4.472 14.591 -2.502 351 2HD LYS 42 1HD LYS 42 3.691 14.572 -4.084 352 1HE LYS 42 2HE LYS 42 2.577 16.748 -2.623 353 2HE LYS 42 1HE LYS 42 4.330 16.842 -2.447 354 1HZ LYS 42 1HZ LYS 42 3.142 16.315 -5.088 355 2HZ LYS 42 2HZ LYS 42 4.640 17.020 -4.705 356 3HZ LYS 42 3HZ LYS 42 3.204 17.904 -4.495 357 HA PRO 43 HA PRO 43 0.714 10.292 -2.019 358 1HB PRO 43 2HB PRO 43 0.853 8.130 -0.339 359 2HB PRO 43 1HB PRO 43 2.217 8.693 -1.321 360 1HG PRO 43 2HG PRO 43 1.737 9.044 1.611 361 2HG PRO 43 1HG PRO 43 3.267 8.898 0.726 362 1HD PRO 43 2HD PRO 43 2.200 11.325 1.660 363 2HD PRO 43 1HD PRO 43 3.412 11.153 0.382 364 H GLY 44 H GLY 44 -1.128 8.670 -1.724 365 1HA GLY 44 2HA GLY 44 -2.931 9.158 0.546 366 2HA GLY 44 1HA GLY 44 -3.528 9.720 -1.018 367 H ALA 45 H ALA 45 -1.437 6.984 -1.072 368 HA ALA 45 HA ALA 45 -3.068 4.798 -0.582 369 1HB ALA 45 1HB ALA 45 -4.817 5.159 -1.989 370 2HB ALA 45 2HB ALA 45 -3.712 4.558 -3.227 371 3HB ALA 45 3HB ALA 45 -3.904 6.294 -2.984 372 H LEU 46 H LEU 46 -0.213 5.633 -0.997 373 HA LEU 46 HA LEU 46 0.936 4.422 -3.273 374 1HB LEU 46 2HB LEU 46 2.577 5.522 -2.105 375 2HB LEU 46 1HB LEU 46 1.825 5.197 -0.553 376 HG LEU 46 HG LEU 46 4.103 4.138 -0.941 377 1HD1 LEU 46 1HD1 LEU 46 1.696 3.033 0.205 378 2HD1 LEU 46 2HD1 LEU 46 3.355 2.945 0.792 379 3HD1 LEU 46 3HD1 LEU 46 2.762 1.744 -0.350 380 1HD2 LEU 46 1HD2 LEU 46 2.739 3.113 -3.255 381 2HD2 LEU 46 2HD2 LEU 46 3.231 1.765 -2.231 382 3HD2 LEU 46 3HD2 LEU 46 4.431 2.922 -2.799 383 H ARG 47 H ARG 47 -0.380 3.048 -0.346 384 HA ARG 47 HA ARG 47 0.622 0.465 -0.272 385 1HB ARG 47 2HB ARG 47 -1.529 1.792 0.863 386 2HB ARG 47 1HB ARG 47 -2.288 0.478 -0.036 387 1HG ARG 47 2HG ARG 47 -0.974 -1.176 1.103 388 2HG ARG 47 1HG ARG 47 0.064 0.057 1.823 389 1HD ARG 47 2HD ARG 47 -2.319 0.928 2.727 390 2HD ARG 47 1HD ARG 47 -2.682 -0.793 2.593 391 HE ARG 47 HE ARG 47 -0.838 0.431 4.507 392 1HH1 ARG 47 2HH1 ARG 47 -2.129 -1.493 5.890 393 2HH1 ARG 47 1HH1 ARG 47 -1.285 -2.987 5.653 394 1HH2 ARG 47 2HH2 ARG 47 0.157 -3.208 3.926 395 2HH2 ARG 47 1HH2 ARG 47 0.417 -1.884 2.840 396 H ILE 48 H ILE 48 -2.076 1.583 -2.347 397 HA ILE 48 HA ILE 48 -2.777 -0.819 -3.565 398 HB ILE 48 HB ILE 48 -2.577 1.978 -4.691 399 1HG1 ILE 48 2HG1 ILE 48 -4.838 0.170 -3.794 400 2HG1 ILE 48 1HG1 ILE 48 -4.302 1.665 -3.026 401 1HG2 ILE 48 1HG2 ILE 48 -4.001 1.084 -6.582 402 2HG2 ILE 48 2HG2 ILE 48 -3.589 -0.542 -6.038 403 3HG2 ILE 48 3HG2 ILE 48 -2.323 0.542 -6.615 404 1HD1 ILE 48 1HD1 ILE 48 -6.319 2.076 -4.369 405 2HD1 ILE 48 2HD1 ILE 48 -5.511 1.430 -5.798 406 3HD1 ILE 48 3HD1 ILE 48 -4.938 2.925 -5.063 407 H LEU 49 H LEU 49 -0.474 1.430 -5.167 408 HA LEU 49 HA LEU 49 0.584 -0.760 -6.765 409 1HB LEU 49 2HB LEU 49 2.154 1.771 -6.374 410 2HB LEU 49 1HB LEU 49 1.898 0.829 -7.841 411 HG LEU 49 HG LEU 49 -0.663 1.721 -7.013 412 1HD1 LEU 49 1HD1 LEU 49 1.523 3.784 -6.779 413 2HD1 LEU 49 2HD1 LEU 49 0.151 3.505 -5.707 414 3HD1 LEU 49 3HD1 LEU 49 -0.103 4.249 -7.286 415 1HD2 LEU 49 1HD2 LEU 49 0.584 3.245 -9.168 416 2HD2 LEU 49 2HD2 LEU 49 -0.762 2.107 -9.237 417 3HD2 LEU 49 3HD2 LEU 49 0.898 1.516 -9.314 418 H ASN 50 H ASN 50 0.972 0.098 -3.567 419 HA ASN 50 HA ASN 50 3.775 -0.357 -3.162 420 1HB ASN 50 2HB ASN 50 1.997 0.605 -1.511 421 2HB ASN 50 1HB ASN 50 1.680 -1.080 -1.123 422 1HD2 ASN 50 1HD2 ASN 50 4.778 0.619 -1.857 423 2HD2 ASN 50 2HD2 ASN 50 5.543 0.149 -0.417 424 H HIS 51 H HIS 51 1.024 -2.463 -3.619 425 HA HIS 51 HA HIS 51 1.843 -4.849 -2.461 426 1HB HIS 51 2HB HIS 51 -0.226 -4.734 -3.749 427 2HB HIS 51 1HB HIS 51 0.671 -4.413 -5.233 428 HD1 HIS 51 HD1 HIS 51 0.604 -7.128 -2.540 429 HD2 HIS 51 HD2 HIS 51 1.155 -6.737 -6.656 430 HE1 HIS 51 HE1 HIS 51 0.909 -9.472 -3.450 431 H SER 52 H SER 52 3.238 -3.117 -5.155 432 HA SER 52 HA SER 52 5.468 -5.069 -5.168 433 1HB SER 52 2HB SER 52 4.756 -3.677 -7.687 434 2HB SER 52 1HB SER 52 5.365 -5.311 -7.435 435 HG SER 52 HG SER 52 2.752 -4.293 -7.251 436 H LEU 53 H LEU 53 4.495 -1.898 -4.627 437 HA LEU 53 HA LEU 53 6.963 -0.679 -5.692 438 1HB LEU 53 2HB LEU 53 4.376 0.345 -5.012 439 2HB LEU 53 1HB LEU 53 5.563 1.151 -3.994 440 HG LEU 53 HG LEU 53 6.778 1.972 -5.854 441 1HD1 LEU 53 1HD1 LEU 53 6.023 1.198 -8.209 442 2HD1 LEU 53 2HD1 LEU 53 5.282 -0.154 -7.358 443 3HD1 LEU 53 3HD1 LEU 53 7.017 0.100 -7.257 444 1HD2 LEU 53 1HD2 LEU 53 5.240 3.438 -6.670 445 2HD2 LEU 53 2HD2 LEU 53 4.137 2.630 -5.556 446 3HD2 LEU 53 3HD2 LEU 53 4.185 2.151 -7.253 447 H ARG 54 H ARG 54 5.783 -2.057 -2.805 448 HA ARG 54 HA ARG 54 7.265 -0.735 -0.814 449 1HB ARG 54 2HB ARG 54 5.656 -2.779 -0.625 450 2HB ARG 54 1HB ARG 54 7.092 -3.752 -0.943 451 1HG ARG 54 2HG ARG 54 7.481 -1.662 1.102 452 2HG ARG 54 1HG ARG 54 6.314 -2.908 1.549 453 1HD ARG 54 2HD ARG 54 8.280 -4.454 0.493 454 2HD ARG 54 1HD ARG 54 9.241 -3.123 1.138 455 HE ARG 54 HE ARG 54 7.861 -5.129 2.709 456 1HH1 ARG 54 2HH1 ARG 54 6.453 -3.348 4.178 457 2HH1 ARG 54 1HH1 ARG 54 7.569 -2.479 5.179 458 1HH2 ARG 54 2HH2 ARG 54 9.774 -2.485 4.684 459 2HH2 ARG 54 1HH2 ARG 54 10.348 -3.359 3.302 460 H LEU 55 H LEU 55 8.293 -2.683 -3.496 461 HA LEU 55 HA LEU 55 10.873 -3.515 -2.636 462 1HB LEU 55 2HB LEU 55 9.388 -3.350 -5.126 463 2HB LEU 55 1HB LEU 55 11.073 -2.893 -5.371 464 HG LEU 55 HG LEU 55 10.513 -5.399 -5.567 465 1HD1 LEU 55 1HD1 LEU 55 12.561 -5.349 -3.511 466 2HD1 LEU 55 2HD1 LEU 55 12.752 -3.997 -4.627 467 3HD1 LEU 55 3HD1 LEU 55 12.727 -5.651 -5.239 468 1HD2 LEU 55 1HD2 LEU 55 10.045 -6.630 -3.642 469 2HD2 LEU 55 2HD2 LEU 55 9.153 -5.146 -3.309 470 3HD2 LEU 55 3HD2 LEU 55 10.734 -5.410 -2.572 471 H ALA 56 H ALA 56 9.776 -0.514 -4.153 472 HA ALA 56 HA ALA 56 11.833 0.973 -4.908 473 1HB ALA 56 1HB ALA 56 9.842 2.172 -4.550 474 2HB ALA 56 2HB ALA 56 10.953 2.880 -3.378 475 3HB ALA 56 3HB ALA 56 9.754 1.698 -2.853 476 H ALA 57 H ALA 57 11.349 0.156 -1.469 477 HA ALA 57 HA ALA 57 14.063 1.214 -0.868 478 1HB ALA 57 1HB ALA 57 13.355 1.513 1.296 479 2HB ALA 57 2HB ALA 57 12.371 0.049 1.283 480 3HB ALA 57 3HB ALA 57 11.768 1.524 0.527 481 H MET 58 H MET 58 12.161 -1.765 -0.916 482 HA MET 58 HA MET 58 14.038 -3.457 0.422 483 1HB MET 58 2HB MET 58 11.564 -3.762 -0.916 484 2HB MET 58 1HB MET 58 12.696 -4.862 -1.703 485 1HG MET 58 2HG MET 58 13.214 -5.962 0.344 486 2HG MET 58 1HG MET 58 12.456 -4.691 1.304 487 1HE MET 58 1HE MET 58 12.118 -7.070 -1.474 488 2HE MET 58 2HE MET 58 10.519 -7.803 -1.382 489 3HE MET 58 3HE MET 58 11.763 -8.277 -0.229 490 H THR 59 H THR 59 16.157 -3.106 -0.300 491 HA THR 59 HA THR 59 16.696 -3.458 -3.201 492 HB THR 59 HB THR 59 17.759 -1.576 -1.841 493 HG1 THR 59 HG1 THR 59 18.619 -2.831 -3.809 494 1HG2 THR 59 1HG2 THR 59 19.336 -3.912 -0.723 495 2HG2 THR 59 2HG2 THR 59 18.211 -2.904 0.187 496 3HG2 THR 59 3HG2 THR 59 19.698 -2.208 -0.454 497 H ALA 60 H ALA 60 16.034 -5.556 -0.950 498 HA ALA 60 HA ALA 60 18.269 -7.392 -1.706 499 1HB ALA 60 1HB ALA 60 17.835 -8.494 0.555 500 2HB ALA 60 2HB ALA 60 16.888 -7.064 0.964 501 3HB ALA 60 3HB ALA 60 18.609 -6.909 0.610 502 H HIS 61 H HIS 61 15.319 -6.829 -2.578 503 HA HIS 61 HA HIS 61 13.496 -8.783 -2.006 504 1HB HIS 61 2HB HIS 61 13.385 -7.070 -3.894 505 2HB HIS 61 1HB HIS 61 14.281 -8.231 -4.875 506 HD1 HIS 61 HD1 HIS 61 12.291 -10.208 -2.705 507 HD2 HIS 61 HD2 HIS 61 11.461 -8.033 -6.166 508 HE1 HIS 61 HE1 HIS 61 10.118 -11.125 -3.625 509 H GLY 62 H GLY 62 16.332 -9.294 -4.114 510 1HA GLY 62 2HA GLY 62 17.332 -11.289 -4.849 511 2HA GLY 62 1HA GLY 62 16.940 -11.883 -3.234 512 H LYS 63 H LYS 63 14.928 -10.982 -6.040 513 HA LYS 63 HA LYS 63 14.096 -13.717 -6.527 514 1HB LYS 63 2HB LYS 63 12.882 -13.146 -4.394 515 2HB LYS 63 1HB LYS 63 12.055 -11.861 -5.275 516 1HG LYS 63 2HG LYS 63 10.512 -13.468 -5.738 517 2HG LYS 63 1HG LYS 63 11.676 -13.993 -6.955 518 1HD LYS 63 2HD LYS 63 12.719 -15.299 -4.881 519 2HD LYS 63 1HD LYS 63 11.065 -15.181 -4.280 520 1HE LYS 63 2HE LYS 63 10.691 -17.045 -5.521 521 2HE LYS 63 1HE LYS 63 10.662 -15.936 -6.892 522 1HZ LYS 63 1HZ LYS 63 12.644 -16.643 -7.610 523 2HZ LYS 63 2HZ LYS 63 12.341 -18.013 -6.652 524 3HZ LYS 63 3HZ LYS 63 13.303 -16.747 -6.050 525 H GLY 64 H GLY 64 13.185 -10.277 -6.810 526 1HA GLY 64 2HA GLY 64 12.992 -10.634 -9.736 527 2HA GLY 64 1HA GLY 64 11.511 -10.126 -8.922 528 H GLU 65 H GLU 65 14.793 -9.170 -9.748 529 HA GLU 65 HA GLU 65 13.995 -6.359 -9.685 530 1HB GLU 65 2HB GLU 65 15.602 -5.617 -8.041 531 2HB GLU 65 1HB GLU 65 14.621 -6.878 -7.293 532 1HG GLU 65 2HG GLU 65 17.301 -7.387 -8.613 533 2HG GLU 65 1HG GLU 65 17.092 -7.131 -6.880 534 H ARG 66 H ARG 66 15.510 -5.037 -10.843 535 HA ARG 66 HA ARG 66 17.490 -6.637 -12.401 536 1HB ARG 66 2HB ARG 66 15.792 -5.585 -13.795 537 2HB ARG 66 1HB ARG 66 16.101 -4.019 -13.045 538 1HG ARG 66 2HG ARG 66 18.081 -3.706 -14.181 539 2HG ARG 66 1HG ARG 66 18.427 -5.435 -14.264 540 1HD ARG 66 2HD ARG 66 16.967 -5.764 -16.085 541 2HD ARG 66 1HD ARG 66 16.111 -4.251 -15.787 542 HE ARG 66 HE ARG 66 18.020 -3.051 -16.735 543 1HH1 ARG 66 2HH1 ARG 66 18.514 -3.484 -19.073 544 2HH1 ARG 66 1HH1 ARG 66 19.546 -4.847 -19.354 545 1HH2 ARG 66 2HH2 ARG 66 19.930 -6.335 -17.698 546 2HH2 ARG 66 1HH2 ARG 66 19.193 -6.115 -16.147 547 H VAL 67 H VAL 67 17.631 -3.161 -12.386 548 HA VAL 67 HA VAL 67 19.338 -2.604 -10.245 549 HB VAL 67 HB VAL 67 20.923 -4.237 -11.016 550 1HG1 VAL 67 1HG1 VAL 67 21.317 -4.728 -13.205 551 2HG1 VAL 67 2HG1 VAL 67 21.353 -3.028 -13.678 552 3HG1 VAL 67 3HG1 VAL 67 19.809 -3.856 -13.481 553 1HG2 VAL 67 1HG2 VAL 67 22.612 -2.791 -10.659 554 2HG2 VAL 67 2HG2 VAL 67 21.498 -1.455 -10.951 555 3HG2 VAL 67 3HG2 VAL 67 22.426 -2.137 -12.286 556 H ASN 68 H ASN 68 19.648 -0.409 -10.246 557 HA ASN 68 HA ASN 68 19.857 1.782 -11.082 558 1HB ASN 68 2HB ASN 68 20.744 0.172 -13.240 559 2HB ASN 68 1HB ASN 68 19.606 1.339 -13.916 560 1HD2 ASN 68 1HD2 ASN 68 22.843 0.946 -12.974 561 2HD2 ASN 68 2HD2 ASN 68 23.270 2.585 -12.868 562 H GLU 69 H GLU 69 18.539 3.116 -13.014 563 HA GLU 69 HA GLU 69 15.960 3.496 -12.185 564 1HB GLU 69 2HB GLU 69 17.430 4.419 -14.304 565 2HB GLU 69 1HB GLU 69 16.153 3.523 -15.127 566 1HG GLU 69 2HG GLU 69 14.577 4.770 -13.425 567 2HG GLU 69 1HG GLU 69 15.923 5.904 -13.312 568 H ASP 70 H ASP 70 17.012 0.899 -14.373 569 HA ASP 70 HA ASP 70 14.335 0.022 -15.003 570 1HB ASP 70 2HB ASP 70 16.548 -1.970 -14.873 571 2HB ASP 70 1HB ASP 70 15.313 -1.738 -16.110 572 H TYR 71 H TYR 71 16.754 -1.142 -12.642 573 HA TYR 71 HA TYR 71 15.717 -3.217 -11.313 574 1HB TYR 71 2HB TYR 71 17.481 -2.150 -10.182 575 2HB TYR 71 1HB TYR 71 16.658 -0.593 -10.177 576 HD1 TYR 71 HD1 TYR 71 16.340 0.033 -7.982 577 HD2 TYR 71 HD2 TYR 71 15.472 -4.011 -9.135 578 HE1 TYR 71 HE1 TYR 71 15.390 -0.390 -5.727 579 HE2 TYR 71 HE2 TYR 71 14.527 -4.440 -6.873 580 HH TYR 71 HH TYR 71 14.445 -1.882 -4.390 581 H LEU 72 H LEU 72 14.425 0.044 -10.813 582 HA LEU 72 HA LEU 72 12.402 -0.552 -9.043 583 1HB LEU 72 2HB LEU 72 12.054 1.338 -11.356 584 2HB LEU 72 1HB LEU 72 11.303 1.432 -9.763 585 HG LEU 72 HG LEU 72 14.192 1.880 -10.488 586 1HD1 LEU 72 1HD1 LEU 72 13.799 4.029 -9.595 587 2HD1 LEU 72 2HD1 LEU 72 12.340 3.508 -8.753 588 3HD1 LEU 72 3HD1 LEU 72 12.340 3.673 -10.509 589 1HD2 LEU 72 1HD2 LEU 72 14.763 1.840 -8.168 590 2HD2 LEU 72 2HD2 LEU 72 13.877 0.348 -8.452 591 3HD2 LEU 72 3HD2 LEU 72 13.079 1.717 -7.689 592 H ARG 73 H ARG 73 11.950 -0.376 -12.562 593 HA ARG 73 HA ARG 73 9.307 -1.488 -12.456 594 1HB ARG 73 2HB ARG 73 10.111 -0.319 -14.457 595 2HB ARG 73 1HB ARG 73 11.342 -1.558 -14.711 596 1HG ARG 73 2HG ARG 73 9.338 -3.221 -14.715 597 2HG ARG 73 1HG ARG 73 8.355 -1.785 -15.009 598 1HD ARG 73 2HD ARG 73 9.139 -2.993 -17.098 599 2HD ARG 73 1HD ARG 73 9.549 -1.279 -17.029 600 HE ARG 73 HE ARG 73 11.581 -3.234 -16.097 601 1HH1 ARG 73 2HH1 ARG 73 11.567 -0.163 -16.973 602 2HH1 ARG 73 1HH1 ARG 73 12.578 -0.290 -18.373 603 1HH2 ARG 73 1HH2 ARG 73 12.393 -3.750 -18.519 604 2HH2 ARG 73 2HH2 ARG 73 13.046 -2.321 -19.249 605 H GLN 74 H GLN 74 12.463 -3.043 -13.038 606 HA GLN 74 HA GLN 74 11.421 -5.671 -13.359 607 1HB GLN 74 2HB GLN 74 13.870 -4.734 -13.715 608 2HB GLN 74 1HB GLN 74 14.069 -5.146 -12.019 609 1HG GLN 74 2HG GLN 74 14.779 -7.082 -13.215 610 2HG GLN 74 1HG GLN 74 13.171 -7.464 -12.600 611 1HE2 GLN 74 1HE2 GLN 74 15.068 -7.170 -15.475 612 2HE2 GLN 74 2HE2 GLN 74 13.805 -7.384 -16.589 613 H ALA 75 H ALA 75 11.562 -3.635 -10.695 614 HA ALA 75 HA ALA 75 11.698 -5.735 -8.663 615 1HB ALA 75 1HB ALA 75 12.490 -3.937 -7.520 616 2HB ALA 75 2HB ALA 75 10.860 -3.265 -7.551 617 3HB ALA 75 3HB ALA 75 12.006 -2.856 -8.825 618 H PHE 76 H PHE 76 9.386 -3.177 -9.516 619 HA PHE 76 HA PHE 76 7.194 -4.767 -8.347 620 1HB PHE 76 2HB PHE 76 6.214 -2.752 -7.876 621 2HB PHE 76 1HB PHE 76 7.844 -2.145 -8.084 622 HD1 PHE 76 HD1 PHE 76 4.725 -1.203 -8.743 623 HD2 PHE 76 HD2 PHE 76 8.280 -2.167 -10.936 624 HE1 PHE 76 HE1 PHE 76 3.932 0.199 -10.610 625 HE2 PHE 76 HE2 PHE 76 7.496 -0.766 -12.812 626 HZ PHE 76 HZ PHE 76 5.323 0.414 -12.670 627 H ARG 77 H ARG 77 8.442 -5.421 -11.010 628 HA ARG 77 HA ARG 77 5.902 -5.523 -12.518 629 1HB ARG 77 2HB ARG 77 7.945 -3.615 -13.140 630 2HB ARG 77 1HB ARG 77 7.904 -4.805 -14.426 631 1HG ARG 77 2HG ARG 77 5.303 -4.485 -14.270 632 2HG ARG 77 1HG ARG 77 5.729 -2.960 -13.492 633 1HD ARG 77 2HD ARG 77 6.253 -2.037 -15.476 634 2HD ARG 77 1HD ARG 77 7.367 -3.356 -15.837 635 HE ARG 77 HE ARG 77 5.011 -4.540 -16.420 636 1HH1 ARG 77 2HH1 ARG 77 6.793 -1.913 -17.612 637 2HH1 ARG 77 1HH1 ARG 77 5.653 -1.494 -18.847 638 1HH2 ARG 77 1HH2 ARG 77 3.267 -3.779 -17.788 639 2HH2 ARG 77 2HH2 ARG 77 3.656 -2.550 -18.946 640 H GLU 78 H GLU 78 9.369 -6.325 -12.466 641 HA GLU 78 HA GLU 78 9.414 -8.342 -14.403 642 1HB GLU 78 2HB GLU 78 11.474 -8.898 -13.535 643 2HB GLU 78 1HB GLU 78 11.252 -7.363 -12.717 644 1HG GLU 78 2HG GLU 78 11.845 -8.766 -10.945 645 2HG GLU 78 1HG GLU 78 10.084 -8.821 -10.870 646 H LEU 79 H LEU 79 7.784 -8.338 -11.352 647 HA LEU 79 HA LEU 79 7.437 -11.283 -11.443 648 1HB LEU 79 2HB LEU 79 6.504 -9.292 -9.358 649 2HB LEU 79 1HB LEU 79 6.469 -11.050 -9.213 650 HG LEU 79 HG LEU 79 9.092 -10.612 -9.879 651 1HD1 LEU 79 1HD1 LEU 79 8.463 -8.101 -9.580 652 2HD1 LEU 79 2HD1 LEU 79 9.937 -8.695 -8.814 653 3HD1 LEU 79 3HD1 LEU 79 8.474 -8.468 -7.855 654 1HD2 LEU 79 1HD2 LEU 79 7.920 -10.592 -7.078 655 2HD2 LEU 79 2HD2 LEU 79 9.557 -11.078 -7.518 656 3HD2 LEU 79 3HD2 LEU 79 8.179 -12.039 -8.051 657 H ASP 80 H ASP 80 5.149 -8.623 -10.639 658 HA ASP 80 HA ASP 80 3.396 -8.938 -12.814 659 1HB ASP 80 2HB ASP 80 1.649 -10.404 -11.555 660 2HB ASP 80 1HB ASP 80 2.980 -11.202 -12.402 661 H LEU 81 H LEU 81 3.264 -8.834 -9.259 662 HA LEU 81 HA LEU 81 2.451 -7.114 -7.899 663 1HB LEU 81 2HB LEU 81 1.052 -5.903 -10.277 664 2HB LEU 81 1HB LEU 81 1.553 -5.139 -8.781 665 HG LEU 81 HG LEU 81 3.174 -5.768 -11.206 666 1HD1 LEU 81 1HD1 LEU 81 3.922 -3.592 -9.386 667 2HD1 LEU 81 2HD1 LEU 81 2.259 -3.490 -9.964 668 3HD1 LEU 81 3HD1 LEU 81 3.592 -3.550 -11.117 669 1HD2 LEU 81 1HD2 LEU 81 4.037 -6.401 -8.475 670 2HD2 LEU 81 2HD2 LEU 81 5.070 -5.218 -9.250 671 3HD2 LEU 81 3HD2 LEU 81 4.810 -6.784 -10.005 672 H ASP 82 H ASP 82 1.312 -9.424 -7.727 673 HA ASP 82 HA ASP 82 -1.472 -8.830 -7.301 674 1HB ASP 82 2HB ASP 82 -2.254 -10.788 -8.788 675 2HB ASP 82 1HB ASP 82 -1.847 -9.268 -9.587 676 H VAL 83 H VAL 83 1.122 -11.169 -7.316 677 HA VAL 83 HA VAL 83 0.132 -12.247 -4.789 678 HB VAL 83 HB VAL 83 0.285 -14.649 -5.814 679 1HG1 VAL 83 1HG1 VAL 83 -2.080 -14.662 -6.073 680 2HG1 VAL 83 2HG1 VAL 83 -2.109 -12.980 -6.601 681 3HG1 VAL 83 3HG1 VAL 83 -1.757 -13.370 -4.918 682 1HG2 VAL 83 1HG2 VAL 83 -0.196 -14.835 -8.134 683 2HG2 VAL 83 2HG2 VAL 83 1.072 -13.613 -8.039 684 3HG2 VAL 83 3HG2 VAL 83 -0.608 -13.126 -8.268 685 H ASP 84 H ASP 84 2.488 -12.450 -7.426 686 HA ASP 84 HA ASP 84 4.427 -14.008 -5.991 687 1HB ASP 84 2HB ASP 84 4.657 -12.071 -8.297 688 2HB ASP 84 1HB ASP 84 6.055 -12.917 -7.636 689 H ILE 85 H ILE 85 3.777 -10.547 -6.146 690 HA ILE 85 HA ILE 85 6.123 -9.981 -4.432 691 HB ILE 85 HB ILE 85 4.629 -7.625 -4.599 692 1HG1 ILE 85 2HG1 ILE 85 3.234 -8.823 -6.349 693 2HG1 ILE 85 1HG1 ILE 85 4.018 -7.352 -6.909 694 1HG2 ILE 85 1HG2 ILE 85 6.462 -7.471 -6.664 695 2HG2 ILE 85 2HG2 ILE 85 7.123 -8.750 -5.645 696 3HG2 ILE 85 3HG2 ILE 85 6.808 -7.154 -4.965 697 1HD1 ILE 85 1HD1 ILE 85 5.887 -9.435 -7.318 698 2HD1 ILE 85 2HD1 ILE 85 4.998 -8.537 -8.547 699 3HD1 ILE 85 3HD1 ILE 85 4.334 -10.037 -7.899 700 H SER 86 H SER 86 3.190 -11.231 -3.856 701 HA SER 86 HA SER 86 2.247 -9.577 -1.672 702 1HB SER 86 2HB SER 86 0.545 -11.118 -1.495 703 2HB SER 86 1HB SER 86 1.099 -11.539 -3.113 704 HG SER 86 HG SER 86 1.047 -13.413 -1.935 705 H THR 87 H THR 87 1.910 -11.818 0.245 706 HA THR 87 HA THR 87 4.687 -11.772 1.355 707 HB THR 87 HB THR 87 3.379 -11.030 3.119 708 HG1 THR 87 HG1 THR 87 3.780 -12.639 4.372 709 1HG2 THR 87 1HG2 THR 87 1.030 -11.734 3.481 710 2HG2 THR 87 2HG2 THR 87 1.148 -12.804 2.083 711 3HG2 THR 87 3HG2 THR 87 1.268 -11.058 1.869 712 H LEU 88 H LEU 88 2.087 -13.722 0.245 713 HA LEU 88 HA LEU 88 2.888 -16.294 1.133 714 1HB LEU 88 2HB LEU 88 1.203 -15.143 -1.048 715 2HB LEU 88 1HB LEU 88 1.637 -16.835 -1.162 716 HG LEU 88 HG LEU 88 0.354 -17.435 0.660 717 1HD1 LEU 88 1HD1 LEU 88 1.412 -16.268 2.424 718 2HD1 LEU 88 2HD1 LEU 88 -0.243 -15.659 2.458 719 3HD1 LEU 88 3HD1 LEU 88 1.038 -14.693 1.724 720 1HD2 LEU 88 1HD2 LEU 88 -0.877 -14.798 -0.195 721 2HD2 LEU 88 2HD2 LEU 88 -1.716 -16.048 0.723 722 3HD2 LEU 88 3HD2 LEU 88 -1.180 -16.376 -0.924 723 H LEU 89 H LEU 89 4.845 -17.234 0.669 724 HA LEU 89 HA LEU 89 5.729 -17.788 -1.962 725 1HB LEU 89 2HB LEU 89 6.225 -15.117 -1.283 726 2HB LEU 89 1HB LEU 89 7.774 -15.931 -1.055 727 HG LEU 89 HG LEU 89 7.128 -17.053 -3.378 728 1HD1 LEU 89 1HD1 LEU 89 5.026 -16.152 -3.849 729 2HD1 LEU 89 2HD1 LEU 89 6.087 -15.051 -4.727 730 3HD1 LEU 89 3HD1 LEU 89 5.434 -14.583 -3.159 731 1HD2 LEU 89 1HD2 LEU 89 9.101 -15.568 -2.823 732 2HD2 LEU 89 2HD2 LEU 89 8.099 -14.182 -3.252 733 3HD2 LEU 89 3HD2 LEU 89 8.503 -15.391 -4.472 734 H ARG 90 H ARG 90 7.637 -19.071 -1.949 735 HA ARG 90 HA ARG 90 9.474 -19.311 0.189 736 1HB ARG 90 2HB ARG 90 7.469 -20.035 1.480 737 2HB ARG 90 1HB ARG 90 7.238 -21.354 0.332 738 1HG ARG 90 2HG ARG 90 9.663 -22.025 0.879 739 2HG ARG 90 1HG ARG 90 9.525 -20.937 2.260 740 1HD ARG 90 2HD ARG 90 7.360 -22.221 2.823 741 2HD ARG 90 1HD ARG 90 7.939 -23.439 1.686 742 HE ARG 90 HE ARG 90 9.681 -23.995 3.220 743 1HH1 ARG 90 2HH1 ARG 90 7.269 -22.927 5.003 744 2HH1 ARG 90 1HH1 ARG 90 8.186 -22.108 6.223 745 1HH2 ARG 90 1HH2 ARG 90 11.151 -22.191 4.427 746 2HH2 ARG 90 2HH2 ARG 90 10.383 -21.691 5.897 747 H ASN 91 HN ASN 91 7.714 -21.989 -1.348 748 HA ASN 91 HA ASN 91 10.146 -23.176 -2.343 749 1HB ASN 91 2HB ASN 91 8.680 -24.757 -3.486 750 2HB ASN 91 1HB ASN 91 8.057 -24.464 -1.862 751 1HD2 ASN 91 1HD2 ASN 91 7.200 -24.454 -5.167 752 2HD2 ASN 91 2HD2 ASN 91 5.740 -23.599 -5.031 Start of MODEL 20 1 1H GLY 1 1H GLY 1 -11.211 26.238 -17.898 2 2H GLY 1 2H GLY 1 -9.578 26.248 -17.432 3 3H GLY 1 3H GLY 1 -10.796 26.474 -16.269 4 1HA GLY 1 1HA GLY 1 -11.129 24.021 -17.600 5 2HA GLY 1 2HA GLY 1 -9.496 24.087 -16.870 6 H SER 2 H SER 2 -10.469 22.369 -15.510 7 HA SER 2 HA SER 2 -13.244 22.751 -14.460 8 1HB SER 2 2HB SER 2 -13.579 20.460 -14.534 9 2HB SER 2 1HB SER 2 -12.485 20.646 -15.902 10 HG SER 2 HG SER 2 -11.267 19.309 -14.835 11 H ARG 3 H ARG 3 -13.428 23.024 -12.277 12 HA ARG 3 HA ARG 3 -10.953 22.708 -10.650 13 1HB ARG 3 2HB ARG 3 -13.525 24.241 -10.184 14 2HB ARG 3 1HB ARG 3 -12.267 24.068 -8.958 15 1HG ARG 3 2HG ARG 3 -10.649 25.184 -10.359 16 2HG ARG 3 1HG ARG 3 -11.762 25.184 -11.728 17 1HD ARG 3 2HD ARG 3 -11.927 27.374 -10.826 18 2HD ARG 3 1HD ARG 3 -13.351 26.532 -10.215 19 HE ARG 3 HE ARG 3 -10.949 26.547 -8.481 20 1HH1 ARG 3 2HH1 ARG 3 -12.708 29.140 -9.081 21 2HH1 ARG 3 1HH1 ARG 3 -13.617 29.184 -7.607 22 1HH2 ARG 3 1HH2 ARG 3 -12.717 25.976 -6.645 23 2HH2 ARG 3 2HH2 ARG 3 -13.620 27.394 -6.228 24 H ILE 4 H ILE 4 -12.508 20.381 -11.413 25 HA ILE 4 HA ILE 4 -14.165 19.620 -9.139 26 HB ILE 4 HB ILE 4 -14.077 17.344 -10.223 27 1HG1 ILE 4 2HG1 ILE 4 -12.976 18.277 -12.729 28 2HG1 ILE 4 1HG1 ILE 4 -11.784 18.463 -11.443 29 1HG2 ILE 4 1HG2 ILE 4 -15.424 18.004 -12.138 30 2HG2 ILE 4 2HG2 ILE 4 -14.731 19.625 -12.111 31 3HG2 ILE 4 3HG2 ILE 4 -15.779 19.092 -10.797 32 1HD1 ILE 4 1HD1 ILE 4 -11.530 16.240 -12.359 33 2HD1 ILE 4 2HD1 ILE 4 -13.260 15.929 -12.210 34 3HD1 ILE 4 3HD1 ILE 4 -12.262 16.083 -10.763 35 H ALA 5 H ALA 5 -13.418 17.163 -8.348 36 HA ALA 5 HA ALA 5 -10.794 17.685 -7.044 37 1HB ALA 5 1HB ALA 5 -12.597 17.255 -5.487 38 2HB ALA 5 2HB ALA 5 -11.528 15.852 -5.484 39 3HB ALA 5 3HB ALA 5 -13.060 15.792 -6.358 40 H LYS 6 H LYS 6 -9.095 16.214 -7.225 41 HA LYS 6 HA LYS 6 -9.354 14.233 -9.412 42 1HB LYS 6 2HB LYS 6 -6.741 14.563 -8.058 43 2HB LYS 6 1HB LYS 6 -7.122 14.536 -9.775 44 1HG LYS 6 2HG LYS 6 -8.046 16.853 -9.566 45 2HG LYS 6 1HG LYS 6 -7.502 16.874 -7.888 46 1HD LYS 6 2HD LYS 6 -5.186 16.547 -8.595 47 2HD LYS 6 1HD LYS 6 -5.694 16.420 -10.280 48 1HE LYS 6 2HE LYS 6 -6.018 18.858 -8.502 49 2HE LYS 6 1HE LYS 6 -4.856 18.682 -9.816 50 1HZ LYS 6 1HZ LYS 6 -6.826 18.277 -11.292 51 2HZ LYS 6 2HZ LYS 6 -6.685 19.857 -10.686 52 3HZ LYS 6 3HZ LYS 6 -7.811 18.782 -10.006 53 H ARG 7 H ARG 7 -7.080 12.663 -8.303 54 HA ARG 7 HA ARG 7 -8.580 10.692 -6.869 55 1HB ARG 7 2HB ARG 7 -6.403 10.337 -8.155 56 2HB ARG 7 1HB ARG 7 -5.572 11.024 -6.759 57 1HG ARG 7 2HG ARG 7 -5.740 9.087 -5.625 58 2HG ARG 7 1HG ARG 7 -7.481 9.018 -5.909 59 1HD ARG 7 2HD ARG 7 -7.005 8.137 -8.214 60 2HD ARG 7 1HD ARG 7 -5.298 8.057 -7.779 61 HE ARG 7 HE ARG 7 -6.533 6.626 -5.766 62 1HH1 ARG 7 2HH1 ARG 7 -8.656 6.067 -7.848 63 2HH1 ARG 7 1HH1 ARG 7 -8.067 4.601 -8.558 64 1HH2 ARG 7 1HH2 ARG 7 -4.867 4.949 -7.267 65 2HH2 ARG 7 2HH2 ARG 7 -5.922 3.969 -8.230 66 H THR 8 H THR 8 -5.780 12.508 -5.570 67 HA THR 8 HA THR 8 -7.249 13.467 -3.274 68 HB THR 8 HB THR 8 -5.387 11.108 -2.857 69 HG1 THR 8 HG1 THR 8 -7.176 10.048 -2.919 70 1HG2 THR 8 1HG2 THR 8 -6.979 12.354 -0.665 71 2HG2 THR 8 2HG2 THR 8 -5.520 13.192 -1.191 72 3HG2 THR 8 3HG2 THR 8 -5.418 11.537 -0.593 73 H ALA 9 H ALA 9 -3.929 12.234 -3.155 74 HA ALA 9 HA ALA 9 -3.015 15.051 -2.870 75 1HB ALA 9 1HB ALA 9 -0.858 13.345 -2.371 76 2HB ALA 9 2HB ALA 9 -2.252 12.506 -1.693 77 3HB ALA 9 3HB ALA 9 -1.863 14.142 -1.162 78 H ILE 10 H ILE 10 -0.378 14.840 -3.583 79 HA ILE 10 HA ILE 10 -0.584 14.626 -6.523 80 HB ILE 10 HB ILE 10 1.764 15.520 -4.827 81 1HG1 ILE 10 2HG1 ILE 10 -0.104 17.380 -6.268 82 2HG1 ILE 10 1HG1 ILE 10 -0.548 16.778 -4.670 83 1HG2 ILE 10 1HG2 ILE 10 2.102 16.828 -7.093 84 2HG2 ILE 10 2HG2 ILE 10 1.102 15.534 -7.754 85 3HG2 ILE 10 3HG2 ILE 10 2.629 15.150 -6.958 86 1HD1 ILE 10 1HD1 ILE 10 0.981 18.990 -5.061 87 2HD1 ILE 10 2HD1 ILE 10 2.235 17.756 -4.936 88 3HD1 ILE 10 3HD1 ILE 10 1.084 17.980 -3.618 89 H ASN 11 H ASN 11 -0.350 12.295 -4.496 90 HA ASN 11 HA ASN 11 2.042 10.926 -4.541 91 1HB ASN 11 2HB ASN 11 0.023 9.979 -3.558 92 2HB ASN 11 1HB ASN 11 -0.717 9.818 -5.148 93 1HD2 ASN 11 1HD2 ASN 11 2.637 9.007 -4.089 94 2HD2 ASN 11 2HD2 ASN 11 2.539 7.376 -4.539 95 H LYS 12 H LYS 12 3.010 9.391 -6.051 96 HA LYS 12 HA LYS 12 3.438 10.230 -8.647 97 1HB LYS 12 2HB LYS 12 3.751 7.669 -9.133 98 2HB LYS 12 1HB LYS 12 4.812 8.464 -7.971 99 1HG LYS 12 2HG LYS 12 2.388 7.568 -6.670 100 2HG LYS 12 1HG LYS 12 3.178 6.226 -7.498 101 1HD LYS 12 2HD LYS 12 5.357 7.282 -6.401 102 2HD LYS 12 1HD LYS 12 4.186 7.922 -5.248 103 1HE LYS 12 2HE LYS 12 3.455 5.755 -4.618 104 2HE LYS 12 1HE LYS 12 4.205 5.005 -6.026 105 1HZ LYS 12 1HZ LYS 12 5.828 6.441 -4.022 106 2HZ LYS 12 2HZ LYS 12 6.316 5.254 -5.136 107 3HZ LYS 12 3HZ LYS 12 5.386 4.821 -3.782 108 H THR 13 H THR 13 0.666 8.536 -7.369 109 HA THR 13 HA THR 13 -1.308 7.757 -8.368 110 HB THR 13 HB THR 13 -1.430 10.291 -8.509 111 HG1 THR 13 HG1 THR 13 -3.017 9.970 -10.436 112 1HG2 THR 13 1HG2 THR 13 0.189 10.833 -10.153 113 2HG2 THR 13 2HG2 THR 13 -1.364 11.112 -10.939 114 3HG2 THR 13 3HG2 THR 13 -0.451 9.647 -11.291 115 H LYS 14 H LYS 14 -2.343 7.569 -10.804 116 HA LYS 14 HA LYS 14 -0.728 5.566 -12.093 117 1HB LYS 14 2HB LYS 14 -3.294 6.978 -12.806 118 2HB LYS 14 1HB LYS 14 -2.526 5.873 -13.945 119 1HG LYS 14 2HG LYS 14 -2.751 4.025 -12.483 120 2HG LYS 14 1HG LYS 14 -3.062 5.061 -11.089 121 1HD LYS 14 2HD LYS 14 -5.117 5.847 -12.608 122 2HD LYS 14 1HD LYS 14 -4.909 4.229 -13.281 123 1HE LYS 14 2HE LYS 14 -5.612 3.202 -11.369 124 2HE LYS 14 1HE LYS 14 -4.813 4.380 -10.328 125 1HZ LYS 14 1HZ LYS 14 -6.565 5.910 -10.634 126 2HZ LYS 14 2HZ LYS 14 -7.301 4.418 -10.291 127 3HZ LYS 14 3HZ LYS 14 -7.256 5.000 -11.886 128 H LYS 15 H LYS 15 -1.563 8.918 -12.969 129 HA LYS 15 HA LYS 15 -0.285 9.046 -15.470 130 1HB LYS 15 2HB LYS 15 -0.751 11.076 -13.293 131 2HB LYS 15 1HB LYS 15 0.143 11.518 -14.750 132 1HG LYS 15 2HG LYS 15 -1.937 10.276 -15.910 133 2HG LYS 15 1HG LYS 15 -2.735 10.814 -14.433 134 1HD LYS 15 2HD LYS 15 -1.309 13.053 -15.164 135 2HD LYS 15 1HD LYS 15 -1.787 12.388 -16.727 136 1HE LYS 15 2HE LYS 15 -4.132 12.296 -15.983 137 2HE LYS 15 1HE LYS 15 -3.664 12.946 -14.410 138 1HZ LYS 15 1HZ LYS 15 -3.188 14.996 -15.294 139 2HZ LYS 15 2HZ LYS 15 -4.520 14.532 -16.244 140 3HZ LYS 15 3HZ LYS 15 -2.943 14.399 -16.862 141 H ALA 16 H ALA 16 1.167 10.026 -12.334 142 HA ALA 16 HA ALA 16 3.853 9.789 -13.562 143 1HB ALA 16 1HB ALA 16 2.867 11.574 -11.759 144 2HB ALA 16 2HB ALA 16 4.582 11.184 -11.898 145 3HB ALA 16 3HB ALA 16 3.596 10.395 -10.670 146 H ASP 17 H ASP 17 2.316 7.366 -13.214 147 HA ASP 17 HA ASP 17 3.385 6.022 -10.833 148 1HB ASP 17 2HB ASP 17 1.120 5.507 -11.811 149 2HB ASP 17 1HB ASP 17 1.942 4.798 -13.201 150 H VAL 18 H VAL 18 3.837 5.752 -14.375 151 HA VAL 18 HA VAL 18 6.022 3.844 -14.016 152 HB VAL 18 HB VAL 18 5.470 5.357 -16.557 153 1HG1 VAL 18 1HG1 VAL 18 7.366 3.583 -16.088 154 2HG1 VAL 18 2HG1 VAL 18 6.461 3.528 -17.601 155 3HG1 VAL 18 3HG1 VAL 18 6.049 2.427 -16.286 156 1HG2 VAL 18 1HG2 VAL 18 3.867 3.341 -16.983 157 2HG2 VAL 18 2HG2 VAL 18 3.273 4.702 -16.030 158 3HG2 VAL 18 3HG2 VAL 18 3.809 3.228 -15.224 159 H LYS 19 H LYS 19 5.694 7.309 -14.255 160 HA LYS 19 HA LYS 19 8.554 7.688 -14.845 161 1HB LYS 19 2HB LYS 19 8.087 10.001 -14.954 162 2HB LYS 19 1HB LYS 19 6.619 9.254 -15.577 163 1HG LYS 19 2HG LYS 19 5.653 9.399 -13.252 164 2HG LYS 19 1HG LYS 19 7.071 10.341 -12.787 165 1HD LYS 19 2HD LYS 19 5.646 11.220 -15.247 166 2HD LYS 19 1HD LYS 19 4.814 11.494 -13.716 167 1HE LYS 19 2HE LYS 19 6.778 12.684 -12.840 168 2HE LYS 19 1HE LYS 19 7.650 12.376 -14.341 169 1HZ LYS 19 1HZ LYS 19 6.500 14.612 -14.096 170 2HZ LYS 19 2HZ LYS 19 5.042 13.769 -14.321 171 3HZ LYS 19 3HZ LYS 19 6.230 13.761 -15.537 172 H ALA 20 H ALA 20 6.416 7.553 -12.098 173 HA ALA 20 HA ALA 20 8.449 8.606 -10.230 174 1HB ALA 20 1HB ALA 20 5.798 7.265 -9.622 175 2HB ALA 20 2HB ALA 20 5.982 8.997 -9.900 176 3HB ALA 20 3HB ALA 20 6.772 8.237 -8.519 177 H ILE 21 H ILE 21 7.324 5.537 -11.468 178 HA ILE 21 HA ILE 21 8.524 3.973 -9.321 179 HB ILE 21 HB ILE 21 7.492 3.249 -12.074 180 1HG1 ILE 21 2HG1 ILE 21 5.492 2.896 -11.074 181 2HG1 ILE 21 1HG1 ILE 21 6.237 1.981 -9.778 182 1HG2 ILE 21 1HG2 ILE 21 9.310 1.806 -10.431 183 2HG2 ILE 21 2HG2 ILE 21 8.513 1.259 -11.905 184 3HG2 ILE 21 3HG2 ILE 21 7.753 0.992 -10.337 185 1HD1 ILE 21 1HD1 ILE 21 5.992 5.002 -9.910 186 2HD1 ILE 21 2HD1 ILE 21 6.819 4.117 -8.632 187 3HD1 ILE 21 3HD1 ILE 21 5.081 3.928 -8.853 188 H ALA 22 H ALA 22 9.619 5.328 -12.367 189 HA ALA 22 HA ALA 22 12.074 3.675 -12.296 190 1HB ALA 22 1HB ALA 22 11.649 5.956 -14.203 191 2HB ALA 22 2HB ALA 22 10.738 4.462 -14.421 192 3HB ALA 22 3HB ALA 22 12.500 4.434 -14.461 193 H ASP 23 H ASP 23 11.036 6.980 -11.669 194 HA ASP 23 HA ASP 23 13.823 7.826 -11.154 195 1HB ASP 23 2HB ASP 23 12.339 9.357 -12.391 196 2HB ASP 23 1HB ASP 23 11.218 9.376 -11.030 197 H ALA 24 H ALA 24 11.124 6.621 -9.393 198 HA ALA 24 HA ALA 24 12.087 7.858 -6.879 199 1HB ALA 24 1HB ALA 24 9.617 7.651 -7.393 200 2HB ALA 24 2HB ALA 24 10.112 6.982 -5.839 201 3HB ALA 24 3HB ALA 24 9.798 5.910 -7.202 202 H TRP 25 H TRP 25 11.984 6.138 -4.973 203 HA TRP 25 HA TRP 25 12.999 4.330 -3.932 204 1HB TRP 25 2HB TRP 25 13.545 2.783 -6.380 205 2HB TRP 25 1HB TRP 25 12.881 2.261 -4.855 206 HD1 TRP 25 HD1 TRP 25 10.504 4.850 -5.834 207 HE1 TRP 25 HE1 TRP 25 8.579 3.898 -7.193 208 HE3 TRP 25 HE3 TRP 25 12.360 0.215 -6.958 209 HZ2 TRP 25 HZ2 TRP 25 7.891 1.512 -8.552 210 HZ3 TRP 25 HZ3 TRP 25 11.004 -1.357 -8.278 211 HH2 TRP 25 HH2 TRP 25 8.779 -0.703 -9.086 212 H GLN 26 H GLN 26 15.076 2.661 -5.417 213 HA GLN 26 HA GLN 26 17.243 4.668 -5.191 214 1HB GLN 26 2HB GLN 26 17.208 2.304 -4.078 215 2HB GLN 26 1HB GLN 26 17.636 1.723 -5.686 216 1HG GLN 26 2HG GLN 26 19.776 2.152 -5.081 217 2HG GLN 26 1HG GLN 26 19.364 3.845 -5.356 218 1HE2 GLN 26 1HE2 GLN 26 19.126 5.221 -3.510 219 2HE2 GLN 26 2HE2 GLN 26 19.426 4.694 -1.926 220 H ILE 27 H ILE 27 16.425 5.597 -7.381 221 HA ILE 27 HA ILE 27 17.311 3.898 -9.661 222 HB ILE 27 HB ILE 27 15.531 4.788 -10.724 223 1HG1 ILE 27 2HG1 ILE 27 17.287 6.434 -11.521 224 2HG1 ILE 27 1HG1 ILE 27 15.628 7.022 -11.604 225 1HG2 ILE 27 1HG2 ILE 27 14.879 5.398 -8.231 226 2HG2 ILE 27 2HG2 ILE 27 13.918 5.932 -9.594 227 3HG2 ILE 27 3HG2 ILE 27 15.055 7.040 -8.833 228 1HD1 ILE 27 1HD1 ILE 27 17.030 7.557 -9.052 229 2HD1 ILE 27 2HD1 ILE 27 15.969 8.602 -9.994 230 3HD1 ILE 27 3HD1 ILE 27 17.660 8.419 -10.455 231 H ASN 28 H ASN 28 18.336 6.514 -7.705 232 HA ASN 28 HA ASN 28 20.871 6.643 -9.124 233 1HB ASN 28 2HB ASN 28 19.503 8.147 -10.547 234 2HB ASN 28 1HB ASN 28 19.113 9.115 -9.122 235 1HD2 ASN 28 1HD2 ASN 28 20.492 10.857 -8.792 236 2HD2 ASN 28 2HD2 ASN 28 22.097 10.947 -9.327 237 H GLY 29 H GLY 29 18.705 8.160 -6.759 238 1HA GLY 29 2HA GLY 29 19.468 8.190 -4.389 239 2HA GLY 29 1HA GLY 29 21.097 8.507 -4.999 240 H GLU 30 H GLU 30 20.139 10.357 -7.057 241 HA GLU 30 HA GLU 30 19.567 12.679 -5.282 242 1HB GLU 30 2HB GLU 30 21.711 12.888 -6.421 243 2HB GLU 30 1HB GLU 30 20.944 12.564 -7.977 244 1HG GLU 30 2HG GLU 30 20.090 14.672 -8.144 245 2HG GLU 30 1HG GLU 30 19.745 14.774 -6.416 246 H LYS 31 H LYS 31 18.548 10.932 -8.128 247 HA LYS 31 HA LYS 31 16.538 12.984 -8.807 248 1HB LYS 31 2HB LYS 31 17.477 10.410 -10.037 249 2HB LYS 31 1HB LYS 31 15.894 11.047 -10.481 250 1HG LYS 31 2HG LYS 31 17.281 12.062 -12.064 251 2HG LYS 31 1HG LYS 31 17.180 13.301 -10.813 252 1HD LYS 31 2HD LYS 31 19.294 12.390 -9.817 253 2HD LYS 31 1HD LYS 31 19.419 11.294 -11.193 254 1HE LYS 31 2HE LYS 31 18.943 13.912 -12.219 255 2HE LYS 31 1HE LYS 31 20.242 14.031 -11.032 256 1HZ LYS 31 1HZ LYS 31 21.390 12.230 -12.156 257 2HZ LYS 31 2HZ LYS 31 21.094 13.512 -13.232 258 3HZ LYS 31 3HZ LYS 31 20.138 12.110 -13.295 259 H GLU 32 H GLU 32 16.782 9.942 -7.107 260 HA GLU 32 HA GLU 32 13.856 9.613 -6.996 261 1HB GLU 32 2HB GLU 32 14.363 7.646 -5.580 262 2HB GLU 32 1HB GLU 32 15.278 7.593 -7.088 263 1HG GLU 32 2HG GLU 32 16.987 7.154 -5.595 264 2HG GLU 32 1HG GLU 32 17.070 8.916 -5.607 265 H LEU 33 H LEU 33 16.402 11.047 -5.099 266 HA LEU 33 HA LEU 33 14.970 11.070 -2.592 267 1HB LEU 33 2HB LEU 33 16.699 12.430 -1.778 268 2HB LEU 33 1HB LEU 33 17.507 11.543 -3.068 269 HG LEU 33 HG LEU 33 16.745 13.557 -4.568 270 1HD1 LEU 33 1HD1 LEU 33 15.746 14.351 -2.039 271 2HD1 LEU 33 2HD1 LEU 33 15.783 15.305 -3.521 272 3HD1 LEU 33 3HD1 LEU 33 17.124 15.399 -2.379 273 1HD2 LEU 33 1HD2 LEU 33 18.840 14.454 -2.664 274 2HD2 LEU 33 2HD2 LEU 33 18.914 14.284 -4.418 275 3HD2 LEU 33 3HD2 LEU 33 19.093 12.865 -3.386 276 H GLU 34 H GLU 34 14.930 13.071 -5.456 277 HA GLU 34 HA GLU 34 13.561 15.307 -4.291 278 1HB GLU 34 2HB GLU 34 14.898 15.138 -6.511 279 2HB GLU 34 1HB GLU 34 13.386 14.527 -7.189 280 1HG GLU 34 2HG GLU 34 12.212 16.530 -6.357 281 2HG GLU 34 1HG GLU 34 13.738 17.124 -5.704 282 H LEU 35 H LEU 35 12.354 12.756 -6.536 283 HA LEU 35 HA LEU 35 9.675 13.430 -6.445 284 1HB LEU 35 2HB LEU 35 10.829 11.479 -7.722 285 2HB LEU 35 1HB LEU 35 10.520 10.535 -6.269 286 HG LEU 35 HG LEU 35 8.759 10.669 -8.312 287 1HD1 LEU 35 1HD1 LEU 35 8.090 10.573 -5.356 288 2HD1 LEU 35 2HD1 LEU 35 8.502 9.204 -6.388 289 3HD1 LEU 35 3HD1 LEU 35 6.991 10.075 -6.641 290 1HD2 LEU 35 1HD2 LEU 35 8.429 13.113 -8.077 291 2HD2 LEU 35 2HD2 LEU 35 7.919 12.877 -6.407 292 3HD2 LEU 35 3HD2 LEU 35 6.941 12.233 -7.724 293 H LEU 36 H LEU 36 11.277 11.148 -4.196 294 HA LEU 36 HA LEU 36 8.980 10.984 -2.498 295 1HB LEU 36 2HB LEU 36 11.146 9.472 -2.626 296 2HB LEU 36 1HB LEU 36 11.755 10.615 -1.421 297 HG LEU 36 HG LEU 36 10.594 8.681 -0.365 298 1HD1 LEU 36 1HD1 LEU 36 10.475 11.278 0.351 299 2HD1 LEU 36 2HD1 LEU 36 9.606 10.034 1.251 300 3HD1 LEU 36 3HD1 LEU 36 8.764 11.007 0.055 301 1HD2 LEU 36 1HD2 LEU 36 8.425 8.101 -0.936 302 2HD2 LEU 36 2HD2 LEU 36 8.934 8.786 -2.480 303 3HD2 LEU 36 3HD2 LEU 36 7.990 9.758 -1.354 304 H GLN 37 H GLN 37 11.676 13.201 -2.747 305 HA GLN 37 HA GLN 37 11.441 14.418 -0.193 306 1HB GLN 37 2HB GLN 37 13.315 15.099 -1.454 307 2HB GLN 37 1HB GLN 37 12.351 15.399 -2.893 308 1HG GLN 37 2HG GLN 37 11.225 17.283 -1.586 309 2HG GLN 37 1HG GLN 37 12.498 17.073 -0.382 310 1HE2 GLN 37 1HE2 GLN 37 14.283 16.231 -2.868 311 2HE2 GLN 37 2HE2 GLN 37 14.772 17.728 -3.493 312 H GLN 38 H GLN 38 9.282 14.259 -2.806 313 HA GLN 38 HA GLN 38 7.449 16.082 -1.400 314 1HB GLN 38 2HB GLN 38 8.677 16.583 -4.030 315 2HB GLN 38 1HB GLN 38 6.917 16.702 -4.029 316 1HG GLN 38 2HG GLN 38 6.953 18.336 -2.257 317 2HG GLN 38 1HG GLN 38 8.681 18.092 -1.997 318 1HE2 GLN 38 1HE2 GLN 38 6.314 19.756 -3.962 319 2HE2 GLN 38 2HE2 GLN 38 7.423 20.586 -4.944 320 H ILE 39 H ILE 39 7.608 13.104 -1.777 321 HA ILE 39 HA ILE 39 4.947 12.827 -3.029 322 HB ILE 39 HB ILE 39 7.396 11.360 -3.849 323 1HG1 ILE 39 2HG1 ILE 39 6.536 13.219 -5.215 324 2HG1 ILE 39 1HG1 ILE 39 6.307 11.689 -6.058 325 1HG2 ILE 39 1HG2 ILE 39 5.933 9.619 -4.870 326 2HG2 ILE 39 2HG2 ILE 39 4.552 10.312 -4.020 327 3HG2 ILE 39 3HG2 ILE 39 5.871 9.581 -3.107 328 1HD1 ILE 39 1HD1 ILE 39 4.319 13.596 -5.317 329 2HD1 ILE 39 2HD1 ILE 39 4.010 12.098 -4.441 330 3HD1 ILE 39 3HD1 ILE 39 4.112 12.086 -6.200 331 H ALA 40 H ALA 40 7.262 11.448 -0.726 332 HA ALA 40 HA ALA 40 5.531 9.239 0.057 333 1HB ALA 40 1HB ALA 40 6.940 9.152 2.122 334 2HB ALA 40 2HB ALA 40 7.776 10.599 1.570 335 3HB ALA 40 3HB ALA 40 7.891 9.105 0.645 336 H GLN 41 H GLN 41 5.422 12.539 0.499 337 HA GLN 41 HA GLN 41 3.953 12.355 3.052 338 1HB GLN 41 2HB GLN 41 4.510 14.874 1.529 339 2HB GLN 41 1HB GLN 41 4.345 14.663 3.272 340 1HG GLN 41 2HG GLN 41 6.511 13.750 3.494 341 2HG GLN 41 1HG GLN 41 6.574 13.256 1.813 342 1HE2 GLN 41 1HE2 GLN 41 7.626 14.594 0.398 343 2HE2 GLN 41 2HE2 GLN 41 8.045 16.208 0.718 344 H LYS 42 H LYS 42 3.452 12.516 -0.284 345 HA LYS 42 HA LYS 42 0.552 13.034 0.211 346 1HB LYS 42 2HB LYS 42 0.354 14.502 -1.592 347 2HB LYS 42 1HB LYS 42 1.918 14.950 -0.922 348 1HG LYS 42 2HG LYS 42 2.294 12.810 -2.819 349 2HG LYS 42 1HG LYS 42 1.356 14.098 -3.570 350 1HD LYS 42 2HD LYS 42 4.037 14.346 -2.196 351 2HD LYS 42 1HD LYS 42 3.691 14.580 -3.907 352 1HE LYS 42 2HE LYS 42 3.264 16.752 -3.505 353 2HE LYS 42 1HE LYS 42 1.915 16.271 -2.475 354 1HZ LYS 42 1HZ LYS 42 3.126 16.531 -0.604 355 2HZ LYS 42 2HZ LYS 42 3.990 17.628 -1.573 356 3HZ LYS 42 3HZ LYS 42 4.583 16.055 -1.329 357 HA PRO 43 HA PRO 43 1.553 9.335 -2.634 358 1HB PRO 43 2HB PRO 43 1.588 7.275 -0.812 359 2HB PRO 43 1HB PRO 43 3.042 8.107 -1.387 360 1HG PRO 43 2HG PRO 43 1.628 8.388 1.234 361 2HG PRO 43 1HG PRO 43 3.350 8.598 0.852 362 1HD PRO 43 2HD PRO 43 1.549 10.711 1.223 363 2HD PRO 43 1HD PRO 43 3.096 10.805 0.373 364 H GLY 44 H GLY 44 -0.652 10.214 -0.189 365 1HA GLY 44 2HA GLY 44 -2.912 9.701 0.177 366 2HA GLY 44 1HA GLY 44 -2.966 9.465 -1.570 367 H ALA 45 H ALA 45 -2.635 7.312 -2.403 368 HA ALA 45 HA ALA 45 -2.981 5.182 -0.335 369 1HB ALA 45 1HB ALA 45 -4.530 4.081 -1.706 370 2HB ALA 45 2HB ALA 45 -3.971 4.905 -3.162 371 3HB ALA 45 3HB ALA 45 -4.936 5.777 -1.971 372 H LEU 46 H LEU 46 -0.396 5.797 -0.966 373 HA LEU 46 HA LEU 46 0.755 4.603 -3.235 374 1HB LEU 46 2HB LEU 46 2.417 5.661 -2.096 375 2HB LEU 46 1HB LEU 46 1.617 5.438 -0.550 376 HG LEU 46 HG LEU 46 3.867 4.322 -0.751 377 1HD1 LEU 46 1HD1 LEU 46 1.397 3.283 0.276 378 2HD1 LEU 46 2HD1 LEU 46 3.023 3.136 0.937 379 3HD1 LEU 46 3HD1 LEU 46 2.436 1.951 -0.223 380 1HD2 LEU 46 1HD2 LEU 46 2.644 3.234 -3.125 381 2HD2 LEU 46 2HD2 LEU 46 3.123 1.927 -2.045 382 3HD2 LEU 46 3HD2 LEU 46 4.314 3.105 -2.581 383 H ARG 47 H ARG 47 -0.610 3.184 -0.356 384 HA ARG 47 HA ARG 47 0.430 0.605 -0.310 385 1HB ARG 47 2HB ARG 47 -2.116 1.862 0.441 386 2HB ARG 47 1HB ARG 47 -2.257 0.143 0.074 387 1HG ARG 47 2HG ARG 47 -0.044 0.026 1.566 388 2HG ARG 47 1HG ARG 47 -0.731 1.497 2.253 389 1HD ARG 47 2HD ARG 47 -2.925 0.186 2.471 390 2HD ARG 47 1HD ARG 47 -1.966 -1.258 2.145 391 HE ARG 47 HE ARG 47 -1.575 0.524 4.511 392 1HH1 ARG 47 2HH1 ARG 47 0.843 -0.662 4.647 393 2HH1 ARG 47 1HH1 ARG 47 0.616 -2.293 5.181 394 1HH2 ARG 47 2HH2 ARG 47 -1.425 -3.253 5.046 395 2HH2 ARG 47 1HH2 ARG 47 -2.763 -2.357 4.408 396 H ILE 48 H ILE 48 -2.194 1.790 -2.436 397 HA ILE 48 HA ILE 48 -2.872 -0.599 -3.698 398 HB ILE 48 HB ILE 48 -3.312 2.168 -4.147 399 1HG1 ILE 48 2HG1 ILE 48 -4.522 -0.225 -5.552 400 2HG1 ILE 48 1HG1 ILE 48 -4.965 0.313 -3.932 401 1HG2 ILE 48 1HG2 ILE 48 -2.230 0.745 -6.575 402 2HG2 ILE 48 2HG2 ILE 48 -1.903 2.385 -6.011 403 3HG2 ILE 48 3HG2 ILE 48 -3.461 1.997 -6.733 404 1HD1 ILE 48 1HD1 ILE 48 -5.446 1.668 -6.571 405 2HD1 ILE 48 2HD1 ILE 48 -5.329 2.636 -5.102 406 3HD1 ILE 48 3HD1 ILE 48 -6.572 1.392 -5.242 407 H LEU 49 H LEU 49 -0.451 1.679 -5.133 408 HA LEU 49 HA LEU 49 0.601 -0.509 -6.766 409 1HB LEU 49 2HB LEU 49 2.223 1.969 -6.335 410 2HB LEU 49 1HB LEU 49 1.916 1.070 -7.820 411 HG LEU 49 HG LEU 49 -0.602 1.923 -7.226 412 1HD1 LEU 49 1HD1 LEU 49 0.592 3.263 -5.319 413 2HD1 LEU 49 2HD1 LEU 49 -0.613 4.085 -6.311 414 3HD1 LEU 49 3HD1 LEU 49 1.104 4.330 -6.627 415 1HD2 LEU 49 1HD2 LEU 49 0.981 2.147 -9.314 416 2HD2 LEU 49 2HD2 LEU 49 1.260 3.772 -8.690 417 3HD2 LEU 49 3HD2 LEU 49 -0.371 3.264 -9.126 418 H ASN 50 H ASN 50 0.883 0.271 -3.552 419 HA ASN 50 HA ASN 50 3.686 -0.153 -3.083 420 1HB ASN 50 2HB ASN 50 1.876 0.764 -1.450 421 2HB ASN 50 1HB ASN 50 1.531 -0.927 -1.119 422 1HD2 ASN 50 1HD2 ASN 50 4.716 0.625 -1.774 423 2HD2 ASN 50 2HD2 ASN 50 5.414 0.150 -0.303 424 H HIS 51 H HIS 51 0.940 -2.246 -3.595 425 HA HIS 51 HA HIS 51 1.716 -4.682 -2.529 426 1HB HIS 51 2HB HIS 51 -0.323 -4.409 -3.882 427 2HB HIS 51 1HB HIS 51 0.648 -4.138 -5.327 428 HD1 HIS 51 HD1 HIS 51 0.485 -6.855 -2.635 429 HD2 HIS 51 HD2 HIS 51 0.842 -6.478 -6.773 430 HE1 HIS 51 HE1 HIS 51 0.564 -9.205 -3.568 431 H SER 52 H SER 52 3.182 -2.867 -5.147 432 HA SER 52 HA SER 52 5.374 -4.868 -5.193 433 1HB SER 52 2HB SER 52 4.883 -3.423 -7.698 434 2HB SER 52 1HB SER 52 5.180 -5.137 -7.432 435 HG SER 52 HG SER 52 2.995 -5.266 -6.691 436 H LEU 53 H LEU 53 4.462 -1.682 -4.574 437 HA LEU 53 HA LEU 53 6.970 -0.503 -5.566 438 1HB LEU 53 2HB LEU 53 4.421 0.577 -4.896 439 2HB LEU 53 1HB LEU 53 5.593 1.293 -3.795 440 HG LEU 53 HG LEU 53 6.918 2.142 -5.578 441 1HD1 LEU 53 1HD1 LEU 53 6.146 1.511 -7.990 442 2HD1 LEU 53 2HD1 LEU 53 5.389 0.136 -7.195 443 3HD1 LEU 53 3HD1 LEU 53 7.125 0.366 -7.081 444 1HD2 LEU 53 1HD2 LEU 53 5.472 3.650 -6.586 445 2HD2 LEU 53 2HD2 LEU 53 4.458 3.081 -5.260 446 3HD2 LEU 53 3HD2 LEU 53 4.238 2.427 -6.884 447 H ARG 54 H ARG 54 5.730 -1.903 -2.695 448 HA ARG 54 HA ARG 54 7.356 -0.740 -0.709 449 1HB ARG 54 2HB ARG 54 5.689 -2.517 -0.231 450 2HB ARG 54 1HB ARG 54 6.690 -3.686 -1.094 451 1HG ARG 54 2HG ARG 54 8.410 -2.433 0.760 452 2HG ARG 54 1HG ARG 54 6.921 -2.775 1.642 453 1HD ARG 54 2HD ARG 54 7.276 -5.087 0.186 454 2HD ARG 54 1HD ARG 54 8.935 -4.634 0.580 455 HE ARG 54 HE ARG 54 6.797 -5.050 2.631 456 1HH1 ARG 54 2HH1 ARG 54 7.900 -7.094 3.552 457 2HH1 ARG 54 1HH1 ARG 54 9.492 -6.782 4.158 458 1HH2 ARG 54 2HH2 ARG 54 10.563 -4.875 3.593 459 2HH2 ARG 54 1HH2 ARG 54 9.792 -3.723 2.553 460 H LEU 55 H LEU 55 8.124 -2.682 -3.473 461 HA LEU 55 HA LEU 55 10.678 -3.713 -2.800 462 1HB LEU 55 2HB LEU 55 9.055 -3.404 -5.160 463 2HB LEU 55 1HB LEU 55 10.711 -2.924 -5.525 464 HG LEU 55 HG LEU 55 10.173 -5.410 -5.817 465 1HD1 LEU 55 1HD1 LEU 55 12.396 -5.756 -5.553 466 2HD1 LEU 55 2HD1 LEU 55 12.339 -5.349 -3.838 467 3HD1 LEU 55 3HD1 LEU 55 12.458 -4.068 -5.043 468 1HD2 LEU 55 1HD2 LEU 55 9.384 -6.583 -4.056 469 2HD2 LEU 55 2HD2 LEU 55 9.229 -5.061 -3.177 470 3HD2 LEU 55 3HD2 LEU 55 10.705 -6.016 -3.033 471 H ALA 56 H ALA 56 9.735 -0.614 -4.229 472 HA ALA 56 HA ALA 56 11.890 0.714 -5.017 473 1HB ALA 56 1HB ALA 56 10.216 1.817 -2.746 474 2HB ALA 56 2HB ALA 56 9.706 1.788 -4.435 475 3HB ALA 56 3HB ALA 56 11.106 2.747 -3.952 476 H ALA 57 H ALA 57 11.390 -0.129 -1.595 477 HA ALA 57 HA ALA 57 14.127 0.833 -0.958 478 1HB ALA 57 1HB ALA 57 13.485 0.838 1.286 479 2HB ALA 57 2HB ALA 57 12.290 -0.438 1.050 480 3HB ALA 57 3HB ALA 57 11.952 1.200 0.493 481 H MET 58 H MET 58 12.165 -2.123 -1.049 482 HA MET 58 HA MET 58 14.073 -3.902 0.100 483 1HB MET 58 2HB MET 58 11.551 -4.090 -1.220 484 2HB MET 58 1HB MET 58 12.651 -5.230 -1.996 485 1HG MET 58 2HG MET 58 13.276 -6.072 0.291 486 2HG MET 58 1HG MET 58 12.014 -5.040 0.963 487 1HE MET 58 1HE MET 58 11.705 -8.992 -1.205 488 2HE MET 58 2HE MET 58 13.087 -8.177 -0.477 489 3HE MET 58 3HE MET 58 12.497 -7.657 -2.052 490 H THR 59 H THR 59 16.164 -3.443 -0.725 491 HA THR 59 HA THR 59 16.582 -3.655 -3.648 492 HB THR 59 HB THR 59 17.816 -1.900 -2.468 493 HG1 THR 59 HG1 THR 59 19.626 -2.324 -3.490 494 1HG2 THR 59 1HG2 THR 59 18.033 -3.900 -0.466 495 2HG2 THR 59 2HG2 THR 59 18.598 -2.231 -0.389 496 3HG2 THR 59 3HG2 THR 59 19.674 -3.500 -0.974 497 H ALA 60 H ALA 60 15.904 -5.900 -1.576 498 HA ALA 60 HA ALA 60 18.214 -7.689 -2.151 499 1HB ALA 60 1HB ALA 60 16.675 -9.200 -0.563 500 2HB ALA 60 2HB ALA 60 16.070 -7.616 -0.075 501 3HB ALA 60 3HB ALA 60 17.784 -7.995 0.093 502 H HIS 61 H HIS 61 14.649 -8.010 -2.015 503 HA HIS 61 HA HIS 61 13.356 -9.692 -3.141 504 1HB HIS 61 2HB HIS 61 13.330 -7.415 -4.353 505 2HB HIS 61 1HB HIS 61 14.398 -8.178 -5.533 506 HD1 HIS 61 HD1 HIS 61 12.493 -10.901 -4.482 507 HD2 HIS 61 HD2 HIS 61 11.574 -7.607 -6.866 508 HE1 HIS 61 HE1 HIS 61 10.454 -11.544 -5.839 509 H GLY 62 H GLY 62 14.382 -11.719 -2.973 510 1HA GLY 62 2HA GLY 62 16.593 -12.371 -4.798 511 2HA GLY 62 1HA GLY 62 15.875 -13.460 -3.610 512 H LYS 63 H LYS 63 15.038 -11.821 -6.685 513 HA LYS 63 HA LYS 63 14.181 -14.310 -7.877 514 1HB LYS 63 2HB LYS 63 12.288 -13.608 -6.230 515 2HB LYS 63 1HB LYS 63 11.919 -12.376 -7.438 516 1HG LYS 63 2HG LYS 63 11.655 -14.090 -9.160 517 2HG LYS 63 1HG LYS 63 12.116 -15.347 -8.011 518 1HD LYS 63 2HD LYS 63 10.097 -15.277 -6.911 519 2HD LYS 63 1HD LYS 63 9.865 -13.558 -7.227 520 1HE LYS 63 2HE LYS 63 8.358 -14.281 -8.773 521 2HE LYS 63 1HE LYS 63 9.786 -14.571 -9.766 522 1HZ LYS 63 1HZ LYS 63 9.774 -16.811 -8.408 523 2HZ LYS 63 2HZ LYS 63 8.859 -16.625 -9.827 524 3HZ LYS 63 3HZ LYS 63 8.115 -16.474 -8.307 525 H GLY 64 H GLY 64 14.088 -10.762 -7.933 526 1HA GLY 64 2HA GLY 64 14.730 -10.881 -10.817 527 2HA GLY 64 1HA GLY 64 13.262 -10.011 -10.378 528 H GLU 65 H GLU 65 13.455 -8.069 -9.143 529 HA GLU 65 HA GLU 65 14.463 -5.922 -9.049 530 1HB GLU 65 2HB GLU 65 16.288 -5.936 -7.304 531 2HB GLU 65 1HB GLU 65 14.793 -6.730 -6.812 532 1HG GLU 65 2HG GLU 65 15.723 -8.864 -6.955 533 2HG GLU 65 1HG GLU 65 16.964 -8.357 -8.097 534 H ARG 66 H ARG 66 15.253 -5.436 -11.107 535 HA ARG 66 HA ARG 66 17.738 -6.514 -12.127 536 1HB ARG 66 2HB ARG 66 15.686 -5.330 -13.349 537 2HB ARG 66 1HB ARG 66 16.668 -3.887 -13.089 538 1HG ARG 66 2HG ARG 66 17.268 -4.807 -15.244 539 2HG ARG 66 1HG ARG 66 18.607 -5.115 -14.136 540 1HD ARG 66 2HD ARG 66 18.282 -7.372 -14.165 541 2HD ARG 66 1HD ARG 66 16.526 -7.217 -14.202 542 HE ARG 66 HE ARG 66 17.151 -6.416 -16.710 543 1HH1 ARG 66 2HH1 ARG 66 19.621 -7.525 -17.220 544 2HH1 ARG 66 1HH1 ARG 66 19.368 -9.217 -17.486 545 1HH2 ARG 66 2HH2 ARG 66 17.455 -10.197 -16.793 546 2HH2 ARG 66 1HH2 ARG 66 16.239 -9.257 -15.996 547 H VAL 67 H VAL 67 18.504 -3.573 -12.924 548 HA VAL 67 HA VAL 67 19.562 -2.647 -10.322 549 HB VAL 67 HB VAL 67 21.342 -3.357 -12.671 550 1HG1 VAL 67 1HG1 VAL 67 21.735 -1.272 -11.005 551 2HG1 VAL 67 2HG1 VAL 67 23.063 -2.249 -11.630 552 3HG1 VAL 67 3HG1 VAL 67 22.424 -2.560 -10.016 553 1HG2 VAL 67 1HG2 VAL 67 22.271 -5.044 -11.203 554 2HG2 VAL 67 2HG2 VAL 67 20.520 -5.261 -11.223 555 3HG2 VAL 67 3HG2 VAL 67 21.296 -4.470 -9.850 556 H ASN 68 H ASN 68 19.676 -0.451 -10.256 557 HA ASN 68 HA ASN 68 19.863 1.766 -11.028 558 1HB ASN 68 2HB ASN 68 21.060 0.423 -13.066 559 2HB ASN 68 1HB ASN 68 19.663 1.100 -13.902 560 1HD2 ASN 68 1HD2 ASN 68 20.691 2.826 -15.023 561 2HD2 ASN 68 2HD2 ASN 68 21.504 4.094 -14.240 562 H GLU 69 H GLU 69 18.559 2.964 -13.178 563 HA GLU 69 HA GLU 69 15.989 3.395 -12.299 564 1HB GLU 69 2HB GLU 69 17.406 3.791 -14.817 565 2HB GLU 69 1HB GLU 69 15.680 3.526 -15.060 566 1HG GLU 69 2HG GLU 69 15.264 5.254 -13.250 567 2HG GLU 69 1HG GLU 69 16.988 5.624 -13.315 568 H ASP 70 H ASP 70 16.851 0.962 -14.793 569 HA ASP 70 HA ASP 70 14.250 -0.033 -15.217 570 1HB ASP 70 2HB ASP 70 16.494 -1.994 -15.063 571 2HB ASP 70 1HB ASP 70 15.205 -1.855 -16.256 572 H TYR 71 H TYR 71 16.677 -1.276 -12.897 573 HA TYR 71 HA TYR 71 15.564 -3.324 -11.590 574 1HB TYR 71 2HB TYR 71 17.419 -2.381 -10.489 575 2HB TYR 71 1HB TYR 71 16.665 -0.794 -10.387 576 HD1 TYR 71 HD1 TYR 71 16.380 -0.237 -8.162 577 HD2 TYR 71 HD2 TYR 71 15.425 -4.215 -9.465 578 HE1 TYR 71 HE1 TYR 71 15.487 -0.754 -5.905 579 HE2 TYR 71 HE2 TYR 71 14.536 -4.736 -7.207 580 HH TYR 71 HH TYR 71 14.071 -2.273 -4.796 581 H LEU 72 H LEU 72 14.471 -0.011 -10.900 582 HA LEU 72 HA LEU 72 12.465 -0.585 -9.110 583 1HB LEU 72 2HB LEU 72 12.116 1.417 -11.325 584 2HB LEU 72 1HB LEU 72 11.434 1.469 -9.699 585 HG LEU 72 HG LEU 72 14.315 1.822 -10.513 586 1HD1 LEU 72 1HD1 LEU 72 12.944 3.820 -10.544 587 2HD1 LEU 72 2HD1 LEU 72 13.968 3.879 -9.111 588 3HD1 LEU 72 3HD1 LEU 72 12.270 3.430 -8.963 589 1HD2 LEU 72 1HD2 LEU 72 13.285 1.638 -7.690 590 2HD2 LEU 72 2HD2 LEU 72 14.955 1.678 -8.225 591 3HD2 LEU 72 3HD2 LEU 72 13.975 0.246 -8.511 592 H ARG 73 H ARG 73 11.972 -0.297 -12.618 593 HA ARG 73 HA ARG 73 9.261 -1.253 -12.497 594 1HB ARG 73 2HB ARG 73 11.302 -0.870 -14.635 595 2HB ARG 73 1HB ARG 73 10.024 -2.032 -14.991 596 1HG ARG 73 2HG ARG 73 8.341 -0.288 -14.333 597 2HG ARG 73 1HG ARG 73 9.666 0.867 -14.183 598 1HD ARG 73 2HD ARG 73 9.000 -0.684 -16.703 599 2HD ARG 73 1HD ARG 73 8.553 0.996 -16.408 600 HE ARG 73 HE ARG 73 11.403 0.092 -16.527 601 1HH1 ARG 73 2HH1 ARG 73 12.632 2.106 -16.622 602 2HH1 ARG 73 1HH1 ARG 73 11.984 3.362 -17.623 603 1HH2 ARG 73 2HH2 ARG 73 9.883 3.191 -18.433 604 2HH2 ARG 73 1HH2 ARG 73 8.918 1.803 -18.056 605 H GLN 74 H GLN 74 12.322 -2.976 -13.128 606 HA GLN 74 HA GLN 74 11.109 -5.541 -13.421 607 1HB GLN 74 2HB GLN 74 13.571 -4.759 -13.928 608 2HB GLN 74 1HB GLN 74 13.856 -5.150 -12.241 609 1HG GLN 74 2HG GLN 74 14.400 -7.112 -13.541 610 2HG GLN 74 1HG GLN 74 12.905 -7.437 -12.662 611 1HE2 GLN 74 1HE2 GLN 74 13.042 -9.068 -14.745 612 2HE2 GLN 74 2HE2 GLN 74 12.148 -8.527 -16.083 613 H ALA 75 H ALA 75 11.388 -3.532 -10.773 614 HA ALA 75 HA ALA 75 11.537 -5.653 -8.750 615 1HB ALA 75 1HB ALA 75 12.023 -2.816 -8.895 616 2HB ALA 75 2HB ALA 75 12.397 -3.916 -7.570 617 3HB ALA 75 3HB ALA 75 10.824 -3.123 -7.640 618 H PHE 76 H PHE 76 9.326 -2.983 -9.509 619 HA PHE 76 HA PHE 76 7.091 -4.472 -8.292 620 1HB PHE 76 2HB PHE 76 6.239 -2.413 -7.771 621 2HB PHE 76 1HB PHE 76 7.882 -1.881 -8.047 622 HD1 PHE 76 HD1 PHE 76 4.762 -0.834 -8.578 623 HD2 PHE 76 HD2 PHE 76 8.211 -1.869 -10.902 624 HE1 PHE 76 HE1 PHE 76 3.954 0.627 -10.393 625 HE2 PHE 76 HE2 PHE 76 7.410 -0.412 -12.729 626 HZ PHE 76 HZ PHE 76 5.283 0.838 -12.499 627 H ARG 77 H ARG 77 8.264 -5.144 -10.991 628 HA ARG 77 HA ARG 77 5.691 -5.157 -12.433 629 1HB ARG 77 2HB ARG 77 7.768 -3.292 -13.092 630 2HB ARG 77 1HB ARG 77 7.624 -4.447 -14.403 631 1HG ARG 77 2HG ARG 77 5.154 -4.056 -14.419 632 2HG ARG 77 1HG ARG 77 5.380 -2.808 -13.193 633 1HD ARG 77 2HD ARG 77 5.382 -1.577 -15.195 634 2HD ARG 77 1HD ARG 77 7.102 -1.801 -14.871 635 HE ARG 77 HE ARG 77 6.940 -3.774 -16.498 636 1HH1 ARG 77 2HH1 ARG 77 3.959 -2.307 -16.456 637 2HH1 ARG 77 1HH1 ARG 77 3.891 -1.956 -18.151 638 1HH2 ARG 77 1HH2 ARG 77 7.199 -2.815 -18.731 639 2HH2 ARG 77 2HH2 ARG 77 5.724 -2.244 -19.438 640 H GLU 78 H GLU 78 9.138 -6.078 -12.466 641 HA GLU 78 HA GLU 78 9.075 -8.044 -14.458 642 1HB GLU 78 2HB GLU 78 11.095 -8.776 -13.604 643 2HB GLU 78 1HB GLU 78 10.990 -7.223 -12.795 644 1HG GLU 78 2HG GLU 78 11.512 -8.676 -11.030 645 2HG GLU 78 1HG GLU 78 9.755 -8.560 -10.916 646 H LEU 79 H LEU 79 7.617 -8.085 -11.301 647 HA LEU 79 HA LEU 79 7.100 -10.987 -11.429 648 1HB LEU 79 2HB LEU 79 6.261 -8.886 -9.422 649 2HB LEU 79 1HB LEU 79 5.975 -10.615 -9.248 650 HG LEU 79 HG LEU 79 8.645 -10.603 -9.776 651 1HD1 LEU 79 1HD1 LEU 79 9.735 -8.732 -9.014 652 2HD1 LEU 79 2HD1 LEU 79 8.485 -8.359 -7.827 653 3HD1 LEU 79 3HD1 LEU 79 8.239 -7.952 -9.526 654 1HD2 LEU 79 1HD2 LEU 79 7.413 -10.195 -7.033 655 2HD2 LEU 79 2HD2 LEU 79 8.942 -10.999 -7.387 656 3HD2 LEU 79 3HD2 LEU 79 7.422 -11.729 -7.905 657 H ASP 80 H ASP 80 4.894 -8.225 -10.763 658 HA ASP 80 HA ASP 80 3.185 -8.484 -12.955 659 1HB ASP 80 2HB ASP 80 1.386 -9.960 -11.790 660 2HB ASP 80 1HB ASP 80 2.743 -10.756 -12.597 661 H LEU 81 H LEU 81 2.996 -8.455 -9.402 662 HA LEU 81 HA LEU 81 2.141 -6.772 -8.019 663 1HB LEU 81 2HB LEU 81 0.832 -5.481 -10.406 664 2HB LEU 81 1HB LEU 81 1.291 -4.763 -8.873 665 HG LEU 81 HG LEU 81 2.981 -5.339 -11.262 666 1HD1 LEU 81 1HD1 LEU 81 3.180 -3.112 -11.138 667 2HD1 LEU 81 2HD1 LEU 81 3.895 -3.249 -9.531 668 3HD1 LEU 81 3HD1 LEU 81 2.146 -3.109 -9.709 669 1HD2 LEU 81 1HD2 LEU 81 4.507 -6.486 -10.015 670 2HD2 LEU 81 2HD2 LEU 81 3.749 -6.024 -8.498 671 3HD2 LEU 81 3HD2 LEU 81 4.861 -4.923 -9.290 672 H ASP 82 H ASP 82 0.994 -9.187 -8.214 673 HA ASP 82 HA ASP 82 -1.842 -8.545 -7.864 674 1HB ASP 82 2HB ASP 82 -2.704 -10.102 -9.434 675 2HB ASP 82 1HB ASP 82 -1.460 -9.210 -10.307 676 H VAL 83 H VAL 83 0.526 -11.169 -7.946 677 HA VAL 83 HA VAL 83 -0.453 -12.028 -5.280 678 HB VAL 83 HB VAL 83 -0.283 -13.794 -7.730 679 1HG1 VAL 83 1HG1 VAL 83 -0.610 -15.705 -6.250 680 2HG1 VAL 83 2HG1 VAL 83 -0.631 -14.646 -4.839 681 3HG1 VAL 83 3HG1 VAL 83 0.855 -14.848 -5.768 682 1HG2 VAL 83 1HG2 VAL 83 -2.395 -12.432 -6.467 683 2HG2 VAL 83 2HG2 VAL 83 -2.563 -14.110 -5.958 684 3HG2 VAL 83 3HG2 VAL 83 -2.539 -13.709 -7.675 685 H ASP 84 H ASP 84 2.030 -12.217 -7.788 686 HA ASP 84 HA ASP 84 3.956 -13.735 -6.344 687 1HB ASP 84 2HB ASP 84 4.238 -11.580 -8.445 688 2HB ASP 84 1HB ASP 84 5.621 -12.450 -7.786 689 H ILE 85 H ILE 85 3.246 -10.269 -6.360 690 HA ILE 85 HA ILE 85 5.433 -9.698 -4.482 691 HB ILE 85 HB ILE 85 3.477 -7.580 -4.608 692 1HG1 ILE 85 2HG1 ILE 85 2.811 -8.573 -6.769 693 2HG1 ILE 85 1HG1 ILE 85 3.648 -7.044 -7.000 694 1HG2 ILE 85 1HG2 ILE 85 5.506 -6.657 -4.260 695 2HG2 ILE 85 2HG2 ILE 85 5.725 -6.776 -6.005 696 3HG2 ILE 85 3HG2 ILE 85 6.345 -8.045 -4.950 697 1HD1 ILE 85 1HD1 ILE 85 4.574 -9.809 -7.632 698 2HD1 ILE 85 2HD1 ILE 85 5.782 -8.624 -7.135 699 3HD1 ILE 85 3HD1 ILE 85 4.771 -8.317 -8.547 700 H SER 86 H SER 86 2.353 -10.972 -4.211 701 HA SER 86 HA SER 86 1.530 -9.675 -1.756 702 1HB SER 86 2HB SER 86 -0.307 -11.129 -1.815 703 2HB SER 86 1HB SER 86 0.115 -11.013 -3.521 704 HG SER 86 HG SER 86 -0.181 -13.193 -2.644 705 H THR 87 H THR 87 0.966 -11.543 0.050 706 HA THR 87 HA THR 87 3.639 -12.630 0.789 707 HB THR 87 HB THR 87 2.455 -12.890 3.077 708 HG1 THR 87 HG1 THR 87 0.784 -11.004 2.972 709 1HG2 THR 87 1HG2 THR 87 4.068 -11.206 2.973 710 2HG2 THR 87 2HG2 THR 87 2.615 -10.295 3.385 711 3HG2 THR 87 3HG2 THR 87 3.200 -10.318 1.722 712 H LEU 88 H LEU 88 0.793 -13.529 -0.616 713 HA LEU 88 HA LEU 88 0.856 -16.284 0.481 714 1HB LEU 88 2HB LEU 88 -1.294 -15.877 -1.343 715 2HB LEU 88 1HB LEU 88 -1.387 -16.146 0.389 716 HG LEU 88 HG LEU 88 -0.988 -13.448 -0.928 717 1HD1 LEU 88 1HD1 LEU 88 -3.347 -15.036 -0.538 718 2HD1 LEU 88 2HD1 LEU 88 -3.215 -13.412 -1.213 719 3HD1 LEU 88 3HD1 LEU 88 -3.422 -13.630 0.525 720 1HD2 LEU 88 1HD2 LEU 88 -1.873 -12.970 1.589 721 2HD2 LEU 88 2HD2 LEU 88 -0.163 -13.063 1.175 722 3HD2 LEU 88 3HD2 LEU 88 -0.977 -14.464 1.866 723 H LEU 89 H LEU 89 0.899 -18.055 -1.047 724 HA LEU 89 HA LEU 89 1.159 -17.555 -3.891 725 1HB LEU 89 2HB LEU 89 3.440 -17.784 -4.227 726 2HB LEU 89 1HB LEU 89 3.448 -16.939 -2.682 727 HG LEU 89 HG LEU 89 3.404 -19.344 -1.652 728 1HD1 LEU 89 1HD1 LEU 89 3.401 -21.014 -3.169 729 2HD1 LEU 89 2HD1 LEU 89 5.020 -20.507 -3.647 730 3HD1 LEU 89 3HD1 LEU 89 3.611 -19.870 -4.494 731 1HD2 LEU 89 1HD2 LEU 89 5.956 -18.577 -3.070 732 2HD2 LEU 89 2HD2 LEU 89 5.761 -19.271 -1.461 733 3HD2 LEU 89 3HD2 LEU 89 5.313 -17.592 -1.757 734 H ARG 90 H ARG 90 1.651 -19.746 -1.160 735 HA ARG 90 HA ARG 90 0.693 -21.971 -2.912 736 1HB ARG 90 2HB ARG 90 3.133 -21.781 -1.486 737 2HB ARG 90 1HB ARG 90 2.128 -22.935 -0.611 738 1HG ARG 90 2HG ARG 90 1.749 -24.212 -2.665 739 2HG ARG 90 1HG ARG 90 2.673 -23.029 -3.593 740 1HD ARG 90 2HD ARG 90 4.658 -23.895 -2.932 741 2HD ARG 90 1HD ARG 90 4.125 -24.061 -1.259 742 HE ARG 90 HE ARG 90 3.998 -26.347 -1.828 743 1HH1 ARG 90 2HH1 ARG 90 4.490 -25.504 -4.818 744 2HH1 ARG 90 1HH1 ARG 90 3.142 -26.298 -5.562 745 1HH2 ARG 90 1HH2 ARG 90 1.494 -26.879 -2.566 746 2HH2 ARG 90 2HH2 ARG 90 1.446 -27.078 -4.286 747 H ASN 91 HN ASN 91 1.247 -21.806 0.588 748 HA ASN 91 HA ASN 91 -1.335 -23.004 1.131 749 1HB ASN 91 2HB ASN 91 -0.737 -22.489 3.531 750 2HB ASN 91 1HB ASN 91 0.479 -23.434 2.670 751 1HD2 ASN 91 1HD2 ASN 91 2.578 -22.581 2.621 752 2HD2 ASN 91 2HD2 ASN 91 2.982 -20.995 3.075
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