NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
25141 | 2k6p | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -4.767 7.615 -7.204 2 H2 MET 1 H2 MET 1 -6.292 7.186 -6.544 3 H3 MET 1 H3 MET 1 -5.754 6.466 -8.006 4 HA MET 1 HA MET 1 -5.403 4.860 -6.446 5 HB2 MET 1 HB3 MET 1 -3.459 5.501 -7.935 6 HB3 MET 1 HB2 MET 1 -2.793 6.377 -6.565 7 HG2 MET 1 HG3 MET 1 -1.771 4.501 -5.990 8 HG3 MET 1 HG2 MET 1 -3.354 3.865 -5.548 9 HE1 MET 1 HE1 MET 1 -0.312 3.560 -7.365 10 HE2 MET 1 HE2 MET 1 -0.933 4.103 -8.924 11 HE3 MET 1 HE3 MET 1 -0.553 2.399 -8.671 12 H ARG 2 H ARG 2 -5.389 4.260 -4.350 13 HA ARG 2 HA ARG 2 -4.522 6.207 -2.332 14 HB2 ARG 2 HB3 ARG 2 -7.027 4.578 -1.971 15 HB3 ARG 2 HB2 ARG 2 -6.481 5.961 -1.032 16 HG2 ARG 2 HG3 ARG 2 -6.940 7.449 -2.869 17 HG3 ARG 2 HG2 ARG 2 -7.357 6.086 -3.910 18 HD2 ARG 2 HD3 ARG 2 -9.463 6.266 -3.228 19 HD3 ARG 2 HD2 ARG 2 -8.939 5.826 -1.603 20 HE ARG 2 HE ARG 2 -9.153 8.020 -0.969 21 HH11 ARG 2 HH11 ARG 2 -9.267 7.822 -4.451 22 HH12 ARG 2 HH12 ARG 2 -9.744 9.474 -4.654 23 HH21 ARG 2 HH22 ARG 2 -9.779 10.194 -1.234 24 HH22 ARG 2 HH21 ARG 2 -10.035 10.821 -2.829 25 H ILE 3 H ILE 3 -4.088 5.254 -0.226 26 HA ILE 3 HA ILE 3 -2.421 3.066 -0.275 27 HB ILE 3 HB ILE 3 -2.480 4.656 1.572 28 HG12 ILE 3 HG13 ILE 3 -1.696 2.167 1.749 29 HG13 ILE 3 HG12 ILE 3 -1.788 3.159 3.195 30 HG21 ILE 3 HG21 ILE 3 -4.214 4.429 3.333 31 HG22 ILE 3 HG22 ILE 3 -5.105 3.350 2.260 32 HG23 ILE 3 HG23 ILE 3 -4.833 5.028 1.795 33 HD11 ILE 3 HD11 ILE 3 -3.302 1.824 4.126 34 HD12 ILE 3 HD12 ILE 3 -2.882 0.668 2.864 35 HD13 ILE 3 HD13 ILE 3 -4.264 1.739 2.652 36 H ASP 4 H ASP 4 -5.892 3.105 -0.062 37 HA ASP 4 HA ASP 4 -6.239 0.495 0.974 38 HB2 ASP 4 HB3 ASP 4 -8.552 0.722 -0.143 39 HB3 ASP 4 HB2 ASP 4 -8.138 1.854 1.139 40 H LYS 5 H LYS 5 -6.580 1.686 -2.379 41 HA LYS 5 HA LYS 5 -6.462 -1.051 -3.360 42 HB2 LYS 5 HB3 LYS 5 -8.030 0.853 -4.191 43 HB3 LYS 5 HB2 LYS 5 -6.629 1.371 -5.118 44 HG2 LYS 5 HG3 LYS 5 -6.653 -1.214 -5.795 45 HG3 LYS 5 HG2 LYS 5 -8.372 -0.986 -5.467 46 HD2 LYS 5 HD3 LYS 5 -6.695 0.670 -7.353 47 HD3 LYS 5 HD2 LYS 5 -7.851 -0.578 -7.823 48 HE2 LYS 5 HE3 LYS 5 -8.978 1.444 -6.042 49 HE3 LYS 5 HE2 LYS 5 -8.393 2.103 -7.569 50 HZ1 LYS 5 HZ1 LYS 5 -10.221 -0.226 -7.384 51 HZ2 LYS 5 HZ2 LYS 5 -9.798 0.640 -8.775 52 HZ3 LYS 5 HZ3 LYS 5 -10.755 1.366 -7.585 53 H PHE 6 H PHE 6 -4.204 1.263 -2.593 54 HA PHE 6 HA PHE 6 -2.455 1.021 -4.831 55 HB2 PHE 6 HB3 PHE 6 -2.411 2.984 -3.368 56 HB3 PHE 6 HB2 PHE 6 -1.896 1.977 -2.019 57 HD1 PHE 6 HD1 PHE 6 -0.853 2.727 -5.525 58 HD2 PHE 6 HD2 PHE 6 0.336 1.981 -1.507 59 HE1 PHE 6 HE1 PHE 6 1.495 3.102 -6.155 60 HE2 PHE 6 HE2 PHE 6 2.687 2.355 -2.130 61 HZ PHE 6 HZ PHE 6 3.269 2.917 -4.456 62 H LEU 7 H LEU 7 -1.973 -0.068 -1.461 63 HA LEU 7 HA LEU 7 0.029 -1.949 -2.358 64 HB2 LEU 7 HB3 LEU 7 0.366 -2.398 0.022 65 HB3 LEU 7 HB2 LEU 7 0.454 -0.689 -0.353 66 HG LEU 7 HG LEU 7 -2.053 -0.671 0.392 67 HD11 LEU 7 HD11 LEU 7 -1.491 -2.645 2.411 68 HD12 LEU 7 HD12 LEU 7 -1.454 -3.370 0.805 69 HD13 LEU 7 HD13 LEU 7 -2.886 -2.495 1.345 70 HD21 LEU 7 HD21 LEU 7 -1.233 -0.426 2.795 71 HD22 LEU 7 HD22 LEU 7 -0.494 0.616 1.578 72 HD23 LEU 7 HD23 LEU 7 0.368 -0.807 2.162 73 H GLN 8 H GLN 8 -3.325 -2.046 -1.838 74 HA GLN 8 HA GLN 8 -3.357 -4.876 -1.165 75 HB2 GLN 8 HB3 GLN 8 -5.661 -3.003 -1.706 76 HB3 GLN 8 HB2 GLN 8 -5.779 -4.627 -1.045 77 HG2 GLN 8 HG3 GLN 8 -4.412 -3.854 0.893 78 HG3 GLN 8 HG2 GLN 8 -4.538 -2.216 0.253 79 HE21 GLN 8 HE22 GLN 8 -6.762 -4.942 0.756 80 HE22 GLN 8 HE21 GLN 8 -7.976 -4.021 1.570 81 H SER 9 H SER 9 -3.287 -2.978 -3.974 82 HA SER 9 HA SER 9 -4.331 -5.234 -5.559 83 HB2 SER 9 HB3 SER 9 -5.302 -2.642 -5.535 84 HB3 SER 9 HB2 SER 9 -4.264 -2.671 -6.961 85 HG SER 9 HG SER 9 -5.444 -4.725 -7.437 86 H VAL 10 H VAL 10 -1.573 -4.685 -4.597 87 HA VAL 10 HA VAL 10 -0.236 -4.415 -7.211 88 HB VAL 10 HB VAL 10 1.837 -3.930 -5.796 89 HG11 VAL 10 HG11 VAL 10 -0.490 -2.096 -6.173 90 HG12 VAL 10 HG12 VAL 10 1.066 -2.122 -7.002 91 HG13 VAL 10 HG13 VAL 10 0.958 -1.520 -5.348 92 HG21 VAL 10 HG21 VAL 10 0.922 -4.688 -3.655 93 HG22 VAL 10 HG22 VAL 10 -0.274 -3.392 -3.709 94 HG23 VAL 10 HG23 VAL 10 1.441 -3.004 -3.576 95 H GLY 11 H GLY 11 -0.798 -6.463 -4.495 96 HA2 GLY 11 HA3 GLY 11 -0.411 -8.865 -5.049 97 HA3 GLY 11 HA2 GLY 11 1.201 -8.372 -5.541 98 H LEU 12 H LEU 12 0.306 -6.578 -2.871 99 HA LEU 12 HA LEU 12 2.117 -8.041 -1.180 100 HB2 LEU 12 HB3 LEU 12 0.795 -5.416 -1.160 101 HB3 LEU 12 HB2 LEU 12 1.010 -6.128 0.427 102 HG LEU 12 HG LEU 12 3.413 -6.221 -1.258 103 HD11 LEU 12 HD11 LEU 12 2.471 -3.551 -0.236 104 HD12 LEU 12 HD12 LEU 12 2.386 -4.047 -1.926 105 HD13 LEU 12 HD13 LEU 12 3.952 -3.901 -1.127 106 HD21 LEU 12 HD21 LEU 12 4.463 -6.125 0.733 107 HD22 LEU 12 HD22 LEU 12 2.876 -6.569 1.362 108 HD23 LEU 12 HD23 LEU 12 3.384 -4.880 1.363 109 H VAL 13 H VAL 13 -1.256 -6.945 -0.742 110 HA VAL 13 HA VAL 13 -1.737 -9.394 0.824 111 HB VAL 13 HB VAL 13 -3.479 -7.945 2.060 112 HG11 VAL 13 HG11 VAL 13 -1.306 -8.892 2.947 113 HG12 VAL 13 HG12 VAL 13 -1.937 -7.473 3.783 114 HG13 VAL 13 HG13 VAL 13 -0.601 -7.304 2.644 115 HG21 VAL 13 HG21 VAL 13 -2.713 -6.022 0.311 116 HG22 VAL 13 HG22 VAL 13 -1.710 -5.626 1.706 117 HG23 VAL 13 HG23 VAL 13 -3.464 -5.703 1.874 118 H LYS 14 H LYS 14 -3.039 -10.644 -0.340 119 HA LYS 14 HA LYS 14 -5.119 -9.402 -1.997 120 HB2 LYS 14 HB3 LYS 14 -4.159 -12.269 -2.002 121 HB3 LYS 14 HB2 LYS 14 -5.252 -11.529 -3.163 122 HG2 LYS 14 HG3 LYS 14 -3.472 -10.070 -3.941 123 HG3 LYS 14 HG2 LYS 14 -2.371 -10.757 -2.744 124 HD2 LYS 14 HD3 LYS 14 -1.903 -11.828 -4.815 125 HD3 LYS 14 HD2 LYS 14 -2.769 -12.997 -3.816 126 HE2 LYS 14 HE3 LYS 14 -3.703 -13.128 -5.995 127 HE3 LYS 14 HE2 LYS 14 -4.874 -12.280 -4.986 128 HZ1 LYS 14 HZ1 LYS 14 -3.314 -11.307 -7.234 129 HZ2 LYS 14 HZ2 LYS 14 -3.477 -10.232 -5.937 130 HZ3 LYS 14 HZ3 LYS 14 -4.853 -10.847 -6.704 131 H ARG 15 H ARG 15 -7.191 -9.493 -1.423 132 HA ARG 15 HA ARG 15 -8.184 -11.671 0.219 133 HB2 ARG 15 HB3 ARG 15 -7.452 -9.191 1.382 134 HB3 ARG 15 HB2 ARG 15 -9.209 -9.259 1.380 135 HG2 ARG 15 HG3 ARG 15 -9.274 -11.096 2.772 136 HG3 ARG 15 HG2 ARG 15 -7.636 -11.601 2.354 137 HD2 ARG 15 HD3 ARG 15 -7.479 -10.750 4.537 138 HD3 ARG 15 HD2 ARG 15 -6.851 -9.473 3.500 139 HE ARG 15 HE ARG 15 -9.366 -9.451 4.980 140 HH11 ARG 15 HH11 ARG 15 -7.218 -7.832 2.746 141 HH12 ARG 15 HH12 ARG 15 -7.981 -6.292 2.943 142 HH21 ARG 15 HH22 ARG 15 -10.361 -7.424 5.234 143 HH22 ARG 15 HH21 ARG 15 -9.760 -6.059 4.354 144 H ARG 16 H ARG 16 -10.628 -11.291 0.644 145 HA ARG 16 HA ARG 16 -11.863 -9.906 -1.632 146 HB2 ARG 16 HB3 ARG 16 -12.673 -12.673 -0.732 147 HB3 ARG 16 HB2 ARG 16 -13.295 -11.780 -2.113 148 HG2 ARG 16 HG3 ARG 16 -10.663 -11.839 -2.712 149 HG3 ARG 16 HG2 ARG 16 -10.834 -13.358 -1.830 150 HD2 ARG 16 HD3 ARG 16 -12.700 -13.979 -3.313 151 HD3 ARG 16 HD2 ARG 16 -12.463 -12.482 -4.213 152 HE ARG 16 HE ARG 16 -10.105 -14.118 -4.045 153 HH11 ARG 16 HH11 ARG 16 -13.045 -13.510 -5.825 154 HH12 ARG 16 HH12 ARG 16 -12.447 -14.205 -7.294 155 HH21 ARG 16 HH22 ARG 16 -9.318 -15.033 -5.976 156 HH22 ARG 16 HH21 ARG 16 -10.331 -15.070 -7.380 157 H VAL 17 H VAL 17 -12.447 -8.286 -0.108 158 HA VAL 17 HA VAL 17 -14.938 -8.876 1.245 159 HB VAL 17 HB VAL 17 -13.248 -9.385 2.973 160 HG11 VAL 17 HG11 VAL 17 -11.820 -7.321 1.928 161 HG12 VAL 17 HG12 VAL 17 -11.523 -8.054 3.504 162 HG13 VAL 17 HG13 VAL 17 -12.489 -6.584 3.384 163 HG21 VAL 17 HG21 VAL 17 -14.280 -6.981 4.191 164 HG22 VAL 17 HG22 VAL 17 -14.703 -8.666 4.493 165 HG23 VAL 17 HG23 VAL 17 -15.510 -7.772 3.205 166 H LEU 18 H LEU 18 -16.292 -7.161 1.232 167 HA LEU 18 HA LEU 18 -15.470 -4.815 -0.205 168 HB2 LEU 18 HB3 LEU 18 -17.725 -4.240 -0.330 169 HB3 LEU 18 HB2 LEU 18 -17.719 -5.990 -0.382 170 HG LEU 18 HG LEU 18 -19.514 -5.455 1.014 171 HD11 LEU 18 HD11 LEU 18 -17.117 -6.053 2.727 172 HD12 LEU 18 HD12 LEU 18 -18.273 -7.193 2.040 173 HD13 LEU 18 HD13 LEU 18 -18.776 -6.091 3.322 174 HD21 LEU 18 HD21 LEU 18 -18.408 -3.036 1.321 175 HD22 LEU 18 HD22 LEU 18 -18.049 -3.726 2.904 176 HD23 LEU 18 HD23 LEU 18 -19.717 -3.638 2.338 177 H ALA 19 H ALA 19 -15.072 -5.626 2.953 178 HA ALA 19 HA ALA 19 -15.338 -2.831 3.849 179 HB1 ALA 19 HB1 ALA 19 -15.707 -5.413 5.328 180 HB2 ALA 19 HB2 ALA 19 -16.808 -4.041 5.195 181 HB3 ALA 19 HB3 ALA 19 -15.351 -3.910 6.180 182 H THR 20 H THR 20 -13.400 -1.897 3.750 183 HA THR 20 HA THR 20 -10.931 -3.214 3.773 184 HB THR 20 HB THR 20 -9.981 -0.936 4.239 185 HG1 THR 20 HG1 THR 20 -12.681 -0.090 4.156 186 HG21 THR 20 HG21 THR 20 -10.225 -1.342 1.962 187 HG22 THR 20 HG22 THR 20 -11.056 0.192 2.220 188 HG23 THR 20 HG23 THR 20 -11.986 -1.297 2.048 189 H ASP 21 H ASP 21 -10.095 -4.350 5.385 190 HA ASP 21 HA ASP 21 -10.743 -3.665 8.146 191 HB2 ASP 21 HB3 ASP 21 -9.861 -6.087 6.721 192 HB3 ASP 21 HB2 ASP 21 -9.131 -5.867 8.308 193 H MET 22 H MET 22 -8.087 -3.587 5.902 194 HA MET 22 HA MET 22 -5.919 -3.425 7.641 195 HB2 MET 22 HB3 MET 22 -6.225 -3.330 4.943 196 HB3 MET 22 HB2 MET 22 -5.813 -1.655 5.282 197 HG2 MET 22 HG3 MET 22 -3.685 -2.242 5.302 198 HG3 MET 22 HG2 MET 22 -4.001 -3.176 6.762 199 HE1 MET 22 HE1 MET 22 -3.938 -6.480 6.246 200 HE2 MET 22 HE2 MET 22 -5.430 -6.314 5.320 201 HE3 MET 22 HE3 MET 22 -5.144 -5.285 6.723 202 H CYS 23 H CYS 23 -8.302 -1.030 6.758 203 HA CYS 23 HA CYS 23 -6.854 1.171 7.922 204 HB2 CYS 23 HB3 CYS 23 -8.845 2.486 7.425 205 HB3 CYS 23 HB2 CYS 23 -8.400 1.508 6.030 206 HG CYS 23 HG CYS 23 -11.025 1.381 7.496 207 H ASN 24 H ASN 24 -9.056 -1.239 9.028 208 HA ASN 24 HA ASN 24 -9.778 0.261 11.415 209 HB2 ASN 24 HB3 ASN 24 -10.809 -2.079 10.005 210 HB3 ASN 24 HB2 ASN 24 -10.733 -2.319 11.748 211 HD21 ASN 24 HD22 ASN 24 -13.049 -2.408 11.634 212 HD22 ASN 24 HD21 ASN 24 -13.964 -0.943 11.608 213 H VAL 25 H VAL 25 -7.987 -2.671 10.538 214 HA VAL 25 HA VAL 25 -7.273 -3.488 13.110 215 HB VAL 25 HB VAL 25 -5.369 -4.661 12.032 216 HG11 VAL 25 HG11 VAL 25 -8.180 -4.875 11.163 217 HG12 VAL 25 HG12 VAL 25 -7.131 -6.071 11.923 218 HG13 VAL 25 HG13 VAL 25 -6.997 -5.753 10.193 219 HG21 VAL 25 HG21 VAL 25 -4.505 -3.507 10.291 220 HG22 VAL 25 HG22 VAL 25 -6.059 -2.804 9.844 221 HG23 VAL 25 HG23 VAL 25 -5.670 -4.457 9.368 222 H GLY 26 H GLY 26 -5.981 -0.965 11.078 223 HA2 GLY 26 HA3 GLY 26 -4.815 0.884 12.066 224 HA3 GLY 26 HA2 GLY 26 -4.173 -0.216 13.276 225 H ALA 27 H ALA 27 -4.242 -0.990 9.868 226 HA ALA 27 HA ALA 27 -1.322 -1.111 9.883 227 HB1 ALA 27 HB1 ALA 27 -1.767 -3.045 8.869 228 HB2 ALA 27 HB2 ALA 27 -2.183 -2.093 7.443 229 HB3 ALA 27 HB3 ALA 27 -3.445 -2.589 8.571 230 H VAL 28 H VAL 28 -3.981 0.559 8.352 231 HA VAL 28 HA VAL 28 -2.480 1.739 6.243 232 HB VAL 28 HB VAL 28 -5.041 2.755 7.485 233 HG11 VAL 28 HG11 VAL 28 -4.578 4.473 6.109 234 HG12 VAL 28 HG12 VAL 28 -5.164 3.379 4.856 235 HG13 VAL 28 HG13 VAL 28 -3.432 3.535 5.152 236 HG21 VAL 28 HG21 VAL 28 -4.852 1.011 5.049 237 HG22 VAL 28 HG22 VAL 28 -6.267 1.390 6.030 238 HG23 VAL 28 HG23 VAL 28 -5.010 0.330 6.668 239 H TRP 29 H TRP 29 -0.836 3.079 6.584 240 HA TRP 29 HA TRP 29 -1.230 5.385 8.324 241 HB2 TRP 29 HB3 TRP 29 0.791 3.238 8.758 242 HB3 TRP 29 HB2 TRP 29 1.284 4.901 9.054 243 HD1 TRP 29 HD1 TRP 29 -1.663 2.597 10.122 244 HE1 TRP 29 HE1 TRP 29 -2.215 3.120 12.581 245 HE3 TRP 29 HE3 TRP 29 1.706 6.357 10.930 246 HZ2 TRP 29 HZ2 TRP 29 -1.339 4.892 14.596 247 HZ3 TRP 29 HZ3 TRP 29 1.784 7.414 13.151 248 HH2 TRP 29 HH2 TRP 29 0.292 6.695 14.945 249 H LEU 30 H LEU 30 -0.851 7.072 7.059 250 HA LEU 30 HA LEU 30 1.257 6.861 5.015 251 HB2 LEU 30 HB3 LEU 30 -1.188 7.305 4.360 252 HB3 LEU 30 HB2 LEU 30 -0.944 8.907 5.030 253 HG LEU 30 HG LEU 30 1.173 8.793 3.368 254 HD11 LEU 30 HD11 LEU 30 -0.000 6.473 2.691 255 HD12 LEU 30 HD12 LEU 30 0.935 7.459 1.566 256 HD13 LEU 30 HD13 LEU 30 -0.825 7.568 1.581 257 HD21 LEU 30 HD21 LEU 30 -0.637 9.771 1.658 258 HD22 LEU 30 HD22 LEU 30 -0.067 10.663 3.068 259 HD23 LEU 30 HD23 LEU 30 -1.599 9.792 3.136 260 H ASN 31 H ASN 31 2.978 8.161 5.128 261 HA ASN 31 HA ASN 31 4.455 9.708 5.898 262 HB2 ASN 31 HB3 ASN 31 2.535 11.172 4.964 263 HB3 ASN 31 HB2 ASN 31 2.129 11.460 6.653 264 HD21 ASN 31 HD22 ASN 31 2.810 13.397 7.196 265 HD22 ASN 31 HD21 ASN 31 4.353 14.078 6.818 266 H GLY 32 H GLY 32 3.674 7.706 7.719 267 HA2 GLY 32 HA3 GLY 32 3.985 7.182 9.934 268 HA3 GLY 32 HA2 GLY 32 4.666 8.789 10.135 269 H SER 33 H SER 33 1.422 8.285 8.946 270 HA SER 33 HA SER 33 0.300 8.928 11.572 271 HB2 SER 33 HB3 SER 33 0.225 10.650 9.154 272 HB3 SER 33 HB2 SER 33 -1.275 10.510 10.070 273 HG SER 33 HG SER 33 -0.146 12.188 10.955 274 H CYS 34 H CYS 34 -1.607 7.947 11.984 275 HA CYS 34 HA CYS 34 -2.469 5.817 10.377 276 HB2 CYS 34 HB3 CYS 34 -4.371 5.656 11.915 277 HB3 CYS 34 HB2 CYS 34 -2.868 5.906 12.796 278 HG CYS 34 HG CYS 34 -5.219 7.873 12.660 279 H ALA 35 H ALA 35 -3.983 5.619 8.821 280 HA ALA 35 HA ALA 35 -5.710 7.921 8.241 281 HB1 ALA 35 HB1 ALA 35 -4.188 6.425 6.113 282 HB2 ALA 35 HB2 ALA 35 -3.704 7.987 6.771 283 HB3 ALA 35 HB3 ALA 35 -5.226 7.834 5.894 284 H LYS 36 H LYS 36 -7.622 7.415 7.051 285 HA LYS 36 HA LYS 36 -8.666 4.812 7.694 286 HB2 LYS 36 HB3 LYS 36 -9.736 7.393 7.182 287 HB3 LYS 36 HB2 LYS 36 -10.447 6.289 6.013 288 HG2 LYS 36 HG3 LYS 36 -11.938 6.070 7.715 289 HG3 LYS 36 HG2 LYS 36 -10.803 4.791 8.150 290 HD2 LYS 36 HD3 LYS 36 -9.713 7.002 9.361 291 HD3 LYS 36 HD2 LYS 36 -11.446 7.282 9.534 292 HE2 LYS 36 HE3 LYS 36 -10.152 4.663 10.246 293 HE3 LYS 36 HE2 LYS 36 -10.299 5.990 11.399 294 HZ1 LYS 36 HZ1 LYS 36 -12.702 5.117 9.967 295 HZ2 LYS 36 HZ2 LYS 36 -12.548 5.754 11.527 296 HZ3 LYS 36 HZ3 LYS 36 -12.125 4.145 11.225 297 H ALA 37 H ALA 37 -10.417 4.328 5.598 298 HA ALA 37 HA ALA 37 -8.552 3.319 3.584 299 HB1 ALA 37 HB1 ALA 37 -9.839 1.549 4.296 300 HB2 ALA 37 HB2 ALA 37 -10.733 2.074 2.870 301 HB3 ALA 37 HB3 ALA 37 -11.288 2.536 4.478 302 H SER 38 H SER 38 -9.396 6.132 3.653 303 HA SER 38 HA SER 38 -10.344 6.296 0.896 304 HB2 SER 38 HB3 SER 38 -11.535 8.102 2.995 305 HB3 SER 38 HB2 SER 38 -12.084 7.835 1.341 306 HG SER 38 HG SER 38 -13.416 6.688 2.714 307 H LYS 39 H LYS 39 -7.795 6.720 2.364 308 HA LYS 39 HA LYS 39 -7.405 9.598 2.006 309 HB2 LYS 39 HB3 LYS 39 -6.649 8.468 4.120 310 HB3 LYS 39 HB2 LYS 39 -5.469 7.588 3.159 311 HG2 LYS 39 HG3 LYS 39 -4.136 9.287 3.800 312 HG3 LYS 39 HG2 LYS 39 -4.864 10.079 2.401 313 HD2 LYS 39 HD3 LYS 39 -6.331 10.310 4.957 314 HD3 LYS 39 HD2 LYS 39 -4.798 11.176 4.851 315 HE2 LYS 39 HE3 LYS 39 -5.533 12.407 2.951 316 HE3 LYS 39 HE2 LYS 39 -6.964 11.393 2.772 317 HZ1 LYS 39 HZ1 LYS 39 -7.783 13.271 3.799 318 HZ2 LYS 39 HZ2 LYS 39 -6.417 13.483 4.775 319 HZ3 LYS 39 HZ3 LYS 39 -7.520 12.249 5.120 320 H GLU 40 H GLU 40 -6.629 10.302 0.136 321 HA GLU 40 HA GLU 40 -5.618 8.550 -1.861 322 HB2 GLU 40 HB3 GLU 40 -6.855 10.707 -2.273 323 HB3 GLU 40 HB2 GLU 40 -5.391 11.560 -1.802 324 HG2 GLU 40 HG3 GLU 40 -4.870 11.508 -3.962 325 HG3 GLU 40 HG2 GLU 40 -4.462 9.815 -3.689 326 H VAL 41 H VAL 41 -3.560 8.171 -2.550 327 HA VAL 41 HA VAL 41 -1.424 9.034 -0.738 328 HB VAL 41 HB VAL 41 -0.076 7.241 -1.763 329 HG11 VAL 41 HG11 VAL 41 -0.951 6.276 0.066 330 HG12 VAL 41 HG12 VAL 41 -1.932 5.375 -1.090 331 HG13 VAL 41 HG13 VAL 41 -2.588 6.814 -0.309 332 HG21 VAL 41 HG21 VAL 41 -1.990 5.667 -3.059 333 HG22 VAL 41 HG22 VAL 41 -0.623 6.507 -3.791 334 HG23 VAL 41 HG23 VAL 41 -2.200 7.292 -3.710 335 H LYS 42 H LYS 42 0.706 9.524 -1.702 336 HA LYS 42 HA LYS 42 0.471 10.802 -4.343 337 HB2 LYS 42 HB3 LYS 42 1.927 11.923 -1.941 338 HB3 LYS 42 HB2 LYS 42 1.870 12.650 -3.540 339 HG2 LYS 42 HG3 LYS 42 -0.749 12.095 -2.332 340 HG3 LYS 42 HG2 LYS 42 0.228 13.307 -1.500 341 HD2 LYS 42 HD3 LYS 42 0.054 13.506 -4.452 342 HD3 LYS 42 HD2 LYS 42 -1.400 13.904 -3.533 343 HE2 LYS 42 HE3 LYS 42 0.473 15.244 -2.115 344 HE3 LYS 42 HE2 LYS 42 1.171 15.328 -3.732 345 HZ1 LYS 42 HZ1 LYS 42 -1.669 15.964 -3.439 346 HZ2 LYS 42 HZ2 LYS 42 -0.519 16.614 -4.498 347 HZ3 LYS 42 HZ3 LYS 42 -0.550 17.102 -2.879 348 H ALA 43 H ALA 43 2.626 11.240 -5.349 349 HA ALA 43 HA ALA 43 4.205 8.850 -5.269 350 HB1 ALA 43 HB1 ALA 43 5.597 10.113 -6.982 351 HB2 ALA 43 HB2 ALA 43 4.393 11.396 -6.854 352 HB3 ALA 43 HB3 ALA 43 3.915 9.790 -7.405 353 H GLY 44 H GLY 44 6.507 8.767 -4.924 354 HA2 GLY 44 HA3 GLY 44 8.388 9.130 -3.662 355 HA3 GLY 44 HA2 GLY 44 8.050 10.843 -3.859 356 H ASP 45 H ASP 45 5.757 8.721 -2.320 357 HA ASP 45 HA ASP 45 6.306 10.082 0.230 358 HB2 ASP 45 HB3 ASP 45 3.857 9.432 -1.193 359 HB3 ASP 45 HB2 ASP 45 3.829 8.816 0.456 360 H THR 46 H THR 46 5.164 8.542 2.062 361 HA THR 46 HA THR 46 6.645 6.008 1.870 362 HB THR 46 HB THR 46 5.839 7.585 4.321 363 HG1 THR 46 HG1 THR 46 7.952 8.155 4.433 364 HG21 THR 46 HG21 THR 46 7.305 6.079 5.559 365 HG22 THR 46 HG22 THR 46 7.523 5.104 4.106 366 HG23 THR 46 HG23 THR 46 5.930 5.229 4.853 367 H ILE 47 H ILE 47 5.720 4.152 2.994 368 HA ILE 47 HA ILE 47 2.813 4.243 3.353 369 HB ILE 47 HB ILE 47 4.196 2.137 1.685 370 HG12 ILE 47 HG13 ILE 47 4.069 4.326 0.539 371 HG13 ILE 47 HG12 ILE 47 3.045 3.115 -0.228 372 HG21 ILE 47 HG21 ILE 47 1.321 2.569 2.462 373 HG22 ILE 47 HG22 ILE 47 2.337 1.165 2.790 374 HG23 ILE 47 HG23 ILE 47 1.817 1.511 1.141 375 HD11 ILE 47 HD11 ILE 47 1.307 4.459 -0.032 376 HD12 ILE 47 HD12 ILE 47 2.335 5.673 0.730 377 HD13 ILE 47 HD13 ILE 47 1.499 4.477 1.721 378 H SER 48 H SER 48 2.613 3.676 5.433 379 HA SER 48 HA SER 48 4.411 1.706 6.595 380 HB2 SER 48 HB3 SER 48 2.483 3.714 7.661 381 HB3 SER 48 HB2 SER 48 2.827 2.298 8.654 382 HG SER 48 HG SER 48 4.391 4.466 8.106 383 H LEU 49 H LEU 49 3.656 -0.145 7.744 384 HA LEU 49 HA LEU 49 0.929 -1.030 7.243 385 HB2 LEU 49 HB3 LEU 49 3.287 -2.053 5.837 386 HB3 LEU 49 HB2 LEU 49 2.338 -3.309 6.609 387 HG LEU 49 HG LEU 49 1.224 -1.282 4.668 388 HD11 LEU 49 HD11 LEU 49 1.360 -2.875 2.973 389 HD12 LEU 49 HD12 LEU 49 1.669 -4.192 4.105 390 HD13 LEU 49 HD13 LEU 49 2.921 -2.991 3.786 391 HD21 LEU 49 HD21 LEU 49 0.060 -3.404 6.350 392 HD22 LEU 49 HD22 LEU 49 -0.497 -3.354 4.677 393 HD23 LEU 49 HD23 LEU 49 -0.670 -1.933 5.706 394 H HIS 50 H HIS 50 0.148 -2.073 8.964 395 HA HIS 50 HA HIS 50 2.047 -2.903 11.042 396 HB2 HIS 50 HB3 HIS 50 0.011 -1.236 11.359 397 HB3 HIS 50 HB2 HIS 50 -0.889 -2.737 11.553 398 HD1 HIS 50 HD1 HIS 50 1.334 -0.428 13.328 399 HD2 HIS 50 HD2 HIS 50 0.019 -4.343 13.785 400 HE1 HIS 50 HE1 HIS 50 1.878 -1.047 15.704 401 HE2 HIS 50 HE2 HIS 50 0.993 -3.390 15.983 402 H TYR 51 H TYR 51 2.213 -4.962 11.698 403 HA TYR 51 HA TYR 51 0.182 -6.900 10.863 404 HB2 TYR 51 HB3 TYR 51 3.099 -6.954 10.168 405 HB3 TYR 51 HB2 TYR 51 2.222 -8.464 10.377 406 HD1 TYR 51 HD1 TYR 51 1.982 -5.223 8.540 407 HD2 TYR 51 HD2 TYR 51 1.146 -9.394 8.549 408 HE1 TYR 51 HE1 TYR 51 1.167 -5.058 6.226 409 HE2 TYR 51 HE2 TYR 51 0.329 -9.241 6.235 410 HH TYR 51 HH TYR 51 0.929 -6.679 4.238 411 H LEU 52 H LEU 52 1.080 -9.188 11.814 412 HA LEU 52 HA LEU 52 1.273 -8.686 14.680 413 HB2 LEU 52 HB3 LEU 52 0.749 -11.111 14.881 414 HB3 LEU 52 HB2 LEU 52 -0.481 -10.173 14.056 415 HG LEU 52 HG LEU 52 1.547 -11.490 12.341 416 HD11 LEU 52 HD11 LEU 52 -0.701 -13.225 13.122 417 HD12 LEU 52 HD12 LEU 52 0.578 -13.036 14.321 418 HD13 LEU 52 HD13 LEU 52 0.964 -13.634 12.708 419 HD21 LEU 52 HD21 LEU 52 -1.354 -11.738 11.882 420 HD22 LEU 52 HD22 LEU 52 -0.056 -11.323 10.763 421 HD23 LEU 52 HD23 LEU 52 -0.705 -10.098 11.853 422 H LYS 53 H LYS 53 3.306 -9.537 12.101 423 HA LYS 53 HA LYS 53 5.218 -10.878 13.876 424 HB2 LYS 53 HB3 LYS 53 6.378 -11.573 11.853 425 HB3 LYS 53 HB2 LYS 53 4.680 -12.019 11.765 426 HG2 LYS 53 HG3 LYS 53 4.486 -9.711 10.513 427 HG3 LYS 53 HG2 LYS 53 6.198 -10.003 10.200 428 HD2 LYS 53 HD3 LYS 53 5.273 -11.043 8.381 429 HD3 LYS 53 HD2 LYS 53 5.319 -12.392 9.519 430 HE2 LYS 53 HE3 LYS 53 2.896 -10.750 9.679 431 HE3 LYS 53 HE2 LYS 53 3.112 -11.577 8.138 432 HZ1 LYS 53 HZ1 LYS 53 1.858 -12.910 9.733 433 HZ2 LYS 53 HZ2 LYS 53 3.170 -12.890 10.802 434 HZ3 LYS 53 HZ3 LYS 53 3.308 -13.667 9.306 435 H GLY 54 H GLY 54 4.667 -7.932 12.138 436 HA2 GLY 54 HA3 GLY 54 6.500 -6.397 13.473 437 HA3 GLY 54 HA2 GLY 54 7.401 -7.062 12.119 438 H ILE 55 H ILE 55 7.085 -4.345 12.388 439 HA ILE 55 HA ILE 55 4.912 -3.545 10.615 440 HB ILE 55 HB ILE 55 7.003 -1.735 11.809 441 HG12 ILE 55 HG13 ILE 55 5.953 -2.987 13.632 442 HG13 ILE 55 HG12 ILE 55 5.417 -1.310 13.646 443 HG21 ILE 55 HG21 ILE 55 5.295 -0.020 11.516 444 HG22 ILE 55 HG22 ILE 55 4.188 -1.225 10.857 445 HG23 ILE 55 HG23 ILE 55 5.665 -0.814 9.985 446 HD11 ILE 55 HD11 ILE 55 3.699 -3.193 14.018 447 HD12 ILE 55 HD12 ILE 55 3.792 -3.401 12.269 448 HD13 ILE 55 HD13 ILE 55 3.285 -1.854 12.947 449 H GLU 56 H GLU 56 5.247 -2.392 8.674 450 HA GLU 56 HA GLU 56 7.952 -2.502 7.543 451 HB2 GLU 56 HB3 GLU 56 5.463 -3.467 6.123 452 HB3 GLU 56 HB2 GLU 56 7.074 -3.374 5.425 453 HG2 GLU 56 HG3 GLU 56 7.109 -4.898 7.865 454 HG3 GLU 56 HG2 GLU 56 5.914 -5.540 6.739 455 H GLU 57 H GLU 57 8.517 -0.637 6.634 456 HA GLU 57 HA GLU 57 6.377 1.237 5.864 457 HB2 GLU 57 HB3 GLU 57 8.155 1.679 7.822 458 HB3 GLU 57 HB2 GLU 57 9.098 2.266 6.459 459 HG2 GLU 57 HG3 GLU 57 6.954 3.612 5.891 460 HG3 GLU 57 HG2 GLU 57 6.538 3.310 7.577 461 H TYR 58 H TYR 58 6.184 1.121 3.717 462 HA TYR 58 HA TYR 58 8.561 0.834 2.047 463 HB2 TYR 58 HB3 TYR 58 5.619 0.783 1.344 464 HB3 TYR 58 HB2 TYR 58 6.930 0.537 0.196 465 HD1 TYR 58 HD2 TYR 58 5.709 -0.824 3.458 466 HD2 TYR 58 HD1 TYR 58 7.546 -1.632 -0.294 467 HE1 TYR 58 HE2 TYR 58 5.706 -3.227 3.981 468 HE2 TYR 58 HE1 TYR 58 7.547 -4.038 0.218 469 HH TYR 58 HH TYR 58 6.839 -5.252 3.347 470 H THR 59 H THR 59 8.191 2.118 -0.173 471 HA THR 59 HA THR 59 7.414 4.880 0.415 472 HB THR 59 HB THR 59 10.070 4.088 -0.796 473 HG1 THR 59 HG1 THR 59 10.514 3.938 1.261 474 HG21 THR 59 HG21 THR 59 8.751 6.378 -1.349 475 HG22 THR 59 HG22 THR 59 10.507 6.218 -1.312 476 HG23 THR 59 HG23 THR 59 9.649 6.845 0.095 477 H ILE 60 H ILE 60 6.307 5.800 -1.198 478 HA ILE 60 HA ILE 60 5.790 4.282 -3.589 479 HB ILE 60 HB ILE 60 4.850 7.082 -2.986 480 HG12 ILE 60 HG13 ILE 60 3.501 4.468 -2.275 481 HG13 ILE 60 HG12 ILE 60 4.297 5.537 -1.124 482 HG21 ILE 60 HG21 ILE 60 2.864 5.881 -4.358 483 HG22 ILE 60 HG22 ILE 60 4.267 5.058 -5.040 484 HG23 ILE 60 HG23 ILE 60 4.156 6.817 -5.111 485 HD11 ILE 60 HD11 ILE 60 2.528 6.879 -0.995 486 HD12 ILE 60 HD12 ILE 60 1.642 5.569 -1.774 487 HD13 ILE 60 HD13 ILE 60 2.295 6.890 -2.743 488 H LEU 61 H LEU 61 6.967 4.380 -5.373 489 HA LEU 61 HA LEU 61 8.924 6.466 -5.750 490 HB2 LEU 61 HB3 LEU 61 8.169 4.157 -7.543 491 HB3 LEU 61 HB2 LEU 61 9.565 5.197 -7.750 492 HG LEU 61 HG LEU 61 9.089 3.274 -5.474 493 HD11 LEU 61 HD11 LEU 61 9.745 2.276 -7.648 494 HD12 LEU 61 HD12 LEU 61 10.945 2.047 -6.376 495 HD13 LEU 61 HD13 LEU 61 11.203 3.269 -7.621 496 HD21 LEU 61 HD21 LEU 61 11.638 4.007 -5.177 497 HD22 LEU 61 HD22 LEU 61 10.308 4.825 -4.358 498 HD23 LEU 61 HD23 LEU 61 10.992 5.511 -5.831 499 H GLN 62 H GLN 62 5.749 5.695 -6.921 500 HA GLN 62 HA GLN 62 5.302 8.240 -8.001 501 HB2 GLN 62 HB3 GLN 62 6.856 6.765 -9.715 502 HB3 GLN 62 HB2 GLN 62 5.238 6.441 -10.322 503 HG2 GLN 62 HG3 GLN 62 5.365 8.346 -11.435 504 HG3 GLN 62 HG2 GLN 62 5.290 9.185 -9.887 505 HE21 GLN 62 HE22 GLN 62 7.650 7.504 -11.938 506 HE22 GLN 62 HE21 GLN 62 8.929 8.638 -11.691 507 H ILE 63 H ILE 63 3.220 8.324 -9.265 508 HA ILE 63 HA ILE 63 1.422 6.168 -8.361 509 HB ILE 63 HB ILE 63 0.659 9.052 -8.812 510 HG12 ILE 63 HG13 ILE 63 2.206 8.892 -6.925 511 HG13 ILE 63 HG12 ILE 63 0.576 9.234 -6.353 512 HG21 ILE 63 HG21 ILE 63 -0.954 6.892 -8.830 513 HG22 ILE 63 HG22 ILE 63 -1.460 8.492 -8.287 514 HG23 ILE 63 HG23 ILE 63 -0.960 7.278 -7.109 515 HD11 ILE 63 HD11 ILE 63 2.175 6.728 -6.115 516 HD12 ILE 63 HD12 ILE 63 0.414 6.674 -6.041 517 HD13 ILE 63 HD13 ILE 63 1.317 7.635 -4.870 518 HA PRO 64 HA PRO 64 1.162 6.051 -12.942 519 HB2 PRO 64 HB2 PRO 64 0.597 3.409 -13.099 520 HB3 PRO 64 HB3 PRO 64 2.246 4.021 -12.922 521 HG2 PRO 64 HG3 PRO 64 0.398 2.928 -10.833 522 HG3 PRO 64 HG2 PRO 64 2.126 2.608 -11.074 523 HD2 PRO 64 HD3 PRO 64 1.210 4.351 -9.212 524 HD3 PRO 64 HD2 PRO 64 2.762 4.571 -10.046 525 H ALA 65 H ALA 65 -1.038 5.449 -10.402 526 HA ALA 65 HA ALA 65 -3.306 5.520 -10.258 527 HB1 ALA 65 HB1 ALA 65 -3.082 7.561 -11.577 528 HB2 ALA 65 HB2 ALA 65 -4.547 6.681 -12.015 529 HB3 ALA 65 HB3 ALA 65 -3.130 6.614 -13.064 530 H LEU 66 H LEU 66 -2.394 3.053 -10.671 531 HA LEU 66 HA LEU 66 -4.007 1.895 -12.835 532 HB2 LEU 66 HB3 LEU 66 -2.023 0.383 -11.168 533 HB3 LEU 66 HB2 LEU 66 -2.625 -0.001 -12.769 534 HG LEU 66 HG LEU 66 -0.921 2.425 -12.266 535 HD11 LEU 66 HD11 LEU 66 0.838 0.758 -13.351 536 HD12 LEU 66 HD12 LEU 66 -0.129 -0.423 -12.466 537 HD13 LEU 66 HD13 LEU 66 0.637 0.912 -11.605 538 HD21 LEU 66 HD21 LEU 66 -1.707 2.711 -14.371 539 HD22 LEU 66 HD22 LEU 66 -2.013 0.991 -14.611 540 HD23 LEU 66 HD23 LEU 66 -0.373 1.623 -14.755 541 H LYS 67 H LYS 67 -5.179 -0.111 -12.367 542 HA LYS 67 HA LYS 67 -6.571 0.112 -9.823 543 HB2 LYS 67 HB3 LYS 67 -7.477 -0.366 -12.334 544 HB3 LYS 67 HB2 LYS 67 -7.352 -2.011 -11.724 545 HG2 LYS 67 HG3 LYS 67 -8.648 -1.039 -9.676 546 HG3 LYS 67 HG2 LYS 67 -9.114 0.216 -10.825 547 HD2 LYS 67 HD3 LYS 67 -9.918 -1.563 -12.361 548 HD3 LYS 67 HD2 LYS 67 -9.563 -2.754 -11.107 549 HE2 LYS 67 HE3 LYS 67 -11.419 -0.413 -10.718 550 HE3 LYS 67 HE2 LYS 67 -11.957 -2.014 -11.225 551 HZ1 LYS 67 HZ1 LYS 67 -11.838 -1.249 -8.688 552 HZ2 LYS 67 HZ2 LYS 67 -10.294 -1.923 -8.845 553 HZ3 LYS 67 HZ3 LYS 67 -11.663 -2.859 -9.174 554 H ASN 68 H ASN 68 -5.316 -2.631 -11.734 555 HA ASN 68 HA ASN 68 -4.472 -3.879 -9.203 556 HB2 ASN 68 HB3 ASN 68 -5.944 -5.082 -11.530 557 HB3 ASN 68 HB2 ASN 68 -4.945 -6.088 -10.486 558 HD21 ASN 68 HD22 ASN 68 -6.459 -7.246 -9.460 559 HD22 ASN 68 HD21 ASN 68 -7.706 -6.577 -8.469 560 H VAL 69 H VAL 69 -2.323 -3.360 -9.361 561 HA VAL 69 HA VAL 69 -0.840 -3.737 -11.792 562 HB VAL 69 HB VAL 69 0.324 -3.344 -9.040 563 HG11 VAL 69 HG11 VAL 69 1.530 -2.124 -11.433 564 HG12 VAL 69 HG12 VAL 69 1.590 -3.885 -11.358 565 HG13 VAL 69 HG13 VAL 69 2.291 -2.922 -10.057 566 HG21 VAL 69 HG21 VAL 69 -1.158 -1.463 -10.765 567 HG22 VAL 69 HG22 VAL 69 0.353 -0.864 -10.081 568 HG23 VAL 69 HG23 VAL 69 -0.922 -1.457 -9.017 569 HA PRO 70 HA PRO 70 -0.340 -8.141 -10.897 570 HB2 PRO 70 HB2 PRO 70 0.992 -8.725 -13.202 571 HB3 PRO 70 HB3 PRO 70 -0.766 -8.573 -13.109 572 HG2 PRO 70 HG3 PRO 70 1.263 -6.575 -14.032 573 HG3 PRO 70 HG2 PRO 70 -0.308 -6.985 -14.744 574 HD2 PRO 70 HD3 PRO 70 0.048 -4.789 -13.219 575 HD3 PRO 70 HD2 PRO 70 -1.476 -5.699 -13.223 576 H ARG 71 H ARG 71 1.811 -9.578 -11.585 577 HA ARG 71 HA ARG 71 3.910 -8.385 -9.961 578 HB2 ARG 71 HB3 ARG 71 3.469 -11.178 -11.016 579 HB3 ARG 71 HB2 ARG 71 4.921 -10.702 -10.146 580 HG2 ARG 71 HG3 ARG 71 3.787 -10.414 -8.147 581 HG3 ARG 71 HG2 ARG 71 2.221 -10.253 -8.945 582 HD2 ARG 71 HD3 ARG 71 1.865 -12.460 -8.922 583 HD3 ARG 71 HD2 ARG 71 3.504 -12.815 -9.467 584 HE ARG 71 HE ARG 71 3.852 -12.115 -6.878 585 HH11 ARG 71 HH11 ARG 71 1.758 -14.410 -8.467 586 HH12 ARG 71 HH12 ARG 71 1.723 -15.499 -7.121 587 HH21 ARG 71 HH22 ARG 71 3.807 -13.546 -5.107 588 HH22 ARG 71 HH21 ARG 71 2.885 -15.009 -5.213 589 H LYS 72 H LYS 72 3.848 -6.988 -12.214 590 HA LYS 72 HA LYS 72 6.245 -7.901 -13.645 591 HB2 LYS 72 HB3 LYS 72 3.600 -7.168 -14.764 592 HB3 LYS 72 HB2 LYS 72 5.006 -6.540 -15.613 593 HG2 LYS 72 HG3 LYS 72 5.618 -9.206 -15.165 594 HG3 LYS 72 HG2 LYS 72 3.903 -9.212 -15.579 595 HD2 LYS 72 HD3 LYS 72 4.335 -8.053 -17.636 596 HD3 LYS 72 HD2 LYS 72 6.026 -7.810 -17.197 597 HE2 LYS 72 HE3 LYS 72 6.450 -9.677 -18.340 598 HE3 LYS 72 HE2 LYS 72 5.701 -10.542 -16.999 599 HZ1 LYS 72 HZ1 LYS 72 4.650 -9.961 -19.655 600 HZ2 LYS 72 HZ2 LYS 72 3.544 -9.912 -18.376 601 HZ3 LYS 72 HZ3 LYS 72 4.427 -11.322 -18.677 602 H ASP 73 H ASP 73 4.069 -5.090 -13.321 603 HA ASP 73 HA ASP 73 6.455 -3.367 -13.259 604 HB2 ASP 73 HB3 ASP 73 3.637 -2.891 -14.193 605 HB3 ASP 73 HB2 ASP 73 4.682 -1.541 -13.759 606 H THR 74 H THR 74 5.239 -4.866 -10.997 607 HA THR 74 HA THR 74 4.267 -2.671 -9.318 608 HB THR 74 HB THR 74 2.938 -4.742 -9.342 609 HG1 THR 74 HG1 THR 74 2.923 -3.567 -7.431 610 HG21 THR 74 HG21 THR 74 4.544 -6.448 -9.726 611 HG22 THR 74 HG22 THR 74 3.827 -6.732 -8.140 612 HG23 THR 74 HG23 THR 74 5.435 -6.018 -8.265 613 H HIS 75 H HIS 75 7.074 -2.962 -10.153 614 HA HIS 75 HA HIS 75 8.269 -3.120 -7.469 615 HB2 HIS 75 HB3 HIS 75 8.774 -4.976 -9.379 616 HB3 HIS 75 HB2 HIS 75 10.029 -3.798 -9.745 617 HD1 HIS 75 HD1 HIS 75 10.644 -2.966 -6.786 618 HD2 HIS 75 HD2 HIS 75 10.354 -6.870 -8.178 619 HE1 HIS 75 HE1 HIS 75 11.968 -4.358 -5.164 620 HE2 HIS 75 HE2 HIS 75 11.852 -6.704 -6.076 621 H LEU 76 H LEU 76 7.359 -0.968 -9.556 622 HA LEU 76 HA LEU 76 9.761 0.689 -9.212 623 HB2 LEU 76 HB3 LEU 76 8.312 0.028 -11.697 624 HB3 LEU 76 HB2 LEU 76 8.720 1.721 -11.491 625 HG LEU 76 HG LEU 76 10.897 -0.242 -11.032 626 HD11 LEU 76 HD11 LEU 76 10.403 -1.293 -12.970 627 HD12 LEU 76 HD12 LEU 76 11.211 0.111 -13.667 628 HD13 LEU 76 HD13 LEU 76 9.450 0.056 -13.588 629 HD21 LEU 76 HD21 LEU 76 11.908 1.683 -12.587 630 HD22 LEU 76 HD22 LEU 76 11.760 1.842 -10.837 631 HD23 LEU 76 HD23 LEU 76 10.547 2.564 -11.894 632 H TYR 77 H TYR 77 6.794 0.322 -8.146 633 HA TYR 77 HA TYR 77 6.155 3.197 -8.213 634 HB2 TYR 77 HB3 TYR 77 4.254 0.870 -7.858 635 HB3 TYR 77 HB2 TYR 77 3.805 2.572 -7.847 636 HD1 TYR 77 HD2 TYR 77 5.038 3.785 -10.071 637 HD2 TYR 77 HD1 TYR 77 3.536 -0.184 -9.772 638 HE1 TYR 77 HE2 TYR 77 4.733 3.723 -12.510 639 HE2 TYR 77 HE1 TYR 77 3.228 -0.257 -12.211 640 HH TYR 77 HH TYR 77 3.469 2.541 -14.179 641 H ILE 78 H ILE 78 6.618 0.364 -6.237 642 HA ILE 78 HA ILE 78 6.813 2.043 -3.878 643 HB ILE 78 HB ILE 78 4.448 1.407 -3.875 644 HG12 ILE 78 HG13 ILE 78 6.080 -0.036 -1.774 645 HG13 ILE 78 HG12 ILE 78 5.612 1.661 -1.732 646 HG21 ILE 78 HG21 ILE 78 4.509 -1.327 -3.248 647 HG22 ILE 78 HG22 ILE 78 5.499 -1.131 -4.694 648 HG23 ILE 78 HG23 ILE 78 3.830 -0.562 -4.684 649 HD11 ILE 78 HD11 ILE 78 3.695 1.147 -0.766 650 HD12 ILE 78 HD12 ILE 78 4.227 -0.532 -0.687 651 HD13 ILE 78 HD13 ILE 78 3.288 0.031 -2.070 652 H ALA 79 H ALA 79 8.238 1.267 -2.386 653 HA ALA 79 HA ALA 79 9.132 -1.496 -2.517 654 HB1 ALA 79 HB1 ALA 79 11.100 0.757 -2.895 655 HB2 ALA 79 HB2 ALA 79 10.517 -0.296 -4.184 656 HB3 ALA 79 HB3 ALA 79 11.458 -0.970 -2.854 657 HA PRO 80 HA PRO 80 9.564 -0.937 1.836 658 HB2 PRO 80 HB2 PRO 80 11.543 -2.716 2.407 659 HB3 PRO 80 HB3 PRO 80 9.888 -3.202 2.021 660 HG2 PRO 80 HG3 PRO 80 12.305 -3.137 0.256 661 HG3 PRO 80 HG2 PRO 80 11.048 -4.381 0.387 662 HD2 PRO 80 HD3 PRO 80 11.074 -2.562 -1.610 663 HD3 PRO 80 HD2 PRO 80 9.564 -3.202 -0.930 664 H LYS 81 H LYS 81 10.431 0.810 2.744 665 HA LYS 81 HA LYS 81 12.764 2.093 1.887 666 HB2 LYS 81 HB3 LYS 81 10.708 2.706 3.599 667 HB3 LYS 81 HB2 LYS 81 12.069 2.554 4.701 668 HG2 LYS 81 HG3 LYS 81 13.028 4.066 2.561 669 HG3 LYS 81 HG2 LYS 81 11.407 4.684 2.886 670 HD2 LYS 81 HD3 LYS 81 11.989 4.985 5.241 671 HD3 LYS 81 HD2 LYS 81 13.605 4.350 4.927 672 HE2 LYS 81 HE3 LYS 81 14.304 6.255 3.907 673 HE3 LYS 81 HE2 LYS 81 12.710 6.613 3.245 674 HZ1 LYS 81 HZ1 LYS 81 12.652 6.797 6.066 675 HZ2 LYS 81 HZ2 LYS 81 12.322 7.992 4.915 676 HZ3 LYS 81 HZ3 LYS 81 13.905 7.759 5.462 677 H THR 82 H THR 82 14.841 2.231 2.748 678 HA THR 82 HA THR 82 15.666 0.686 5.005 679 HB THR 82 HB THR 82 15.538 -1.191 3.549 680 HG1 THR 82 HG1 THR 82 18.234 -0.331 3.439 681 HG21 THR 82 HG21 THR 82 15.386 -0.096 1.398 682 HG22 THR 82 HG22 THR 82 16.667 -1.308 1.386 683 HG23 THR 82 HG23 THR 82 17.073 0.404 1.512 684 H LYS 83 H LYS 83 18.017 0.844 5.377 685 HA LYS 83 HA LYS 83 19.298 3.030 3.896 686 HB2 LYS 83 HB3 LYS 83 19.167 2.835 6.911 687 HB3 LYS 83 HB2 LYS 83 20.068 4.039 6.001 688 HG2 LYS 83 HG3 LYS 83 18.207 5.224 5.451 689 HG3 LYS 83 HG2 LYS 83 17.163 3.801 5.460 690 HD2 LYS 83 HD3 LYS 83 17.767 3.854 8.047 691 HD3 LYS 83 HD2 LYS 83 17.996 5.568 7.696 692 HE2 LYS 83 HE3 LYS 83 15.521 4.153 6.790 693 HE3 LYS 83 HE2 LYS 83 15.664 4.719 8.454 694 HZ1 LYS 83 HZ1 LYS 83 16.347 6.644 6.386 695 HZ2 LYS 83 HZ2 LYS 83 15.497 6.862 7.832 696 HZ3 LYS 83 HZ3 LYS 83 14.714 6.214 6.480 697 H GLU 84 H GLU 84 20.932 1.940 2.970 698 HA GLU 84 HA GLU 84 22.454 0.009 4.554 699 HB2 GLU 84 HB3 GLU 84 22.459 0.650 1.602 700 HB3 GLU 84 HB2 GLU 84 23.552 -0.505 2.352 701 HG2 GLU 84 HG3 GLU 84 21.957 -2.078 2.576 702 HG3 GLU 84 HG2 GLU 84 20.688 -0.900 2.906 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -4.146 7.965 -5.981 2 H2 MET 1 H2 MET 1 -5.860 7.965 -5.999 3 H3 MET 1 H3 MET 1 -4.989 7.308 -7.324 4 HA MET 1 HA MET 1 -5.910 5.610 -5.922 5 HB2 MET 1 HB3 MET 1 -3.557 5.655 -7.140 6 HB3 MET 1 HB2 MET 1 -2.953 5.548 -5.493 7 HG2 MET 1 HG3 MET 1 -3.424 3.386 -5.367 8 HG3 MET 1 HG2 MET 1 -5.062 3.633 -5.969 9 HE1 MET 1 HE1 MET 1 -2.653 1.080 -6.784 10 HE2 MET 1 HE2 MET 1 -3.681 0.742 -8.178 11 HE3 MET 1 HE3 MET 1 -4.408 1.146 -6.622 12 H ARG 2 H ARG 2 -5.984 4.555 -3.912 13 HA ARG 2 HA ARG 2 -5.036 6.167 -1.634 14 HB2 ARG 2 HB3 ARG 2 -7.572 4.531 -1.812 15 HB3 ARG 2 HB2 ARG 2 -7.020 5.406 -0.391 16 HG2 ARG 2 HG3 ARG 2 -8.501 6.915 -1.220 17 HG3 ARG 2 HG2 ARG 2 -7.044 7.445 -2.062 18 HD2 ARG 2 HD3 ARG 2 -8.813 7.346 -3.660 19 HD3 ARG 2 HD2 ARG 2 -7.722 5.999 -3.982 20 HE ARG 2 HE ARG 2 -9.918 5.303 -2.271 21 HH11 ARG 2 HH11 ARG 2 -8.896 5.670 -5.586 22 HH12 ARG 2 HH12 ARG 2 -10.079 4.567 -6.205 23 HH21 ARG 2 HH22 ARG 2 -11.476 3.851 -3.082 24 HH22 ARG 2 HH21 ARG 2 -11.544 3.536 -4.784 25 H ILE 3 H ILE 3 -4.361 5.047 0.230 26 HA ILE 3 HA ILE 3 -2.757 2.846 -0.101 27 HB ILE 3 HB ILE 3 -2.714 4.325 1.867 28 HG12 ILE 3 HG13 ILE 3 -1.728 1.953 1.755 29 HG13 ILE 3 HG12 ILE 3 -1.872 2.710 3.333 30 HG21 ILE 3 HG21 ILE 3 -4.580 2.981 3.547 31 HG22 ILE 3 HG22 ILE 3 -5.417 3.559 2.109 32 HG23 ILE 3 HG23 ILE 3 -4.505 4.687 3.111 33 HD11 ILE 3 HD11 ILE 3 -2.887 0.219 2.463 34 HD12 ILE 3 HD12 ILE 3 -4.259 1.260 2.840 35 HD13 ILE 3 HD13 ILE 3 -3.017 0.963 4.055 36 H ASP 4 H ASP 4 -6.200 2.910 0.405 37 HA ASP 4 HA ASP 4 -6.526 0.229 1.239 38 HB2 ASP 4 HB3 ASP 4 -8.275 1.919 1.546 39 HB3 ASP 4 HB2 ASP 4 -8.472 2.046 -0.200 40 H LYS 5 H LYS 5 -7.112 1.699 -1.966 41 HA LYS 5 HA LYS 5 -7.129 -0.947 -3.173 42 HB2 LYS 5 HB3 LYS 5 -8.739 0.999 -3.718 43 HB3 LYS 5 HB2 LYS 5 -7.409 1.637 -4.675 44 HG2 LYS 5 HG3 LYS 5 -7.558 -0.014 -6.244 45 HG3 LYS 5 HG2 LYS 5 -8.225 -1.186 -5.107 46 HD2 LYS 5 HD3 LYS 5 -9.724 1.230 -6.111 47 HD3 LYS 5 HD2 LYS 5 -9.844 -0.376 -6.834 48 HE2 LYS 5 HE3 LYS 5 -10.633 0.460 -4.050 49 HE3 LYS 5 HE2 LYS 5 -11.686 -0.117 -5.341 50 HZ1 LYS 5 HZ1 LYS 5 -10.035 -2.176 -5.127 51 HZ2 LYS 5 HZ2 LYS 5 -11.459 -2.044 -4.222 52 HZ3 LYS 5 HZ3 LYS 5 -9.974 -1.619 -3.532 53 H PHE 6 H PHE 6 -4.760 1.258 -2.421 54 HA PHE 6 HA PHE 6 -3.219 1.158 -4.823 55 HB2 PHE 6 HB3 PHE 6 -3.034 3.007 -3.204 56 HB3 PHE 6 HB2 PHE 6 -2.354 1.893 -2.022 57 HD1 PHE 6 HD1 PHE 6 -0.170 0.726 -2.612 58 HD2 PHE 6 HD2 PHE 6 -1.668 4.094 -4.740 59 HE1 PHE 6 HE1 PHE 6 2.085 1.169 -3.494 60 HE2 PHE 6 HE2 PHE 6 0.583 4.540 -5.626 61 HZ PHE 6 HZ PHE 6 2.464 3.077 -5.003 62 H LEU 7 H LEU 7 -2.344 -0.095 -1.593 63 HA LEU 7 HA LEU 7 -0.478 -1.932 -2.773 64 HB2 LEU 7 HB3 LEU 7 0.036 -2.576 -0.486 65 HB3 LEU 7 HB2 LEU 7 0.041 -0.834 -0.678 66 HG LEU 7 HG LEU 7 -2.369 -0.929 0.244 67 HD11 LEU 7 HD11 LEU 7 -2.468 -2.899 1.933 68 HD12 LEU 7 HD12 LEU 7 -1.359 -3.685 0.810 69 HD13 LEU 7 HD13 LEU 7 -2.951 -3.166 0.258 70 HD21 LEU 7 HD21 LEU 7 -1.020 0.122 1.717 71 HD22 LEU 7 HD22 LEU 7 0.223 -1.126 1.639 72 HD23 LEU 7 HD23 LEU 7 -1.214 -1.373 2.631 73 H GLN 8 H GLN 8 -3.784 -2.071 -2.115 74 HA GLN 8 HA GLN 8 -3.818 -4.941 -1.655 75 HB2 GLN 8 HB3 GLN 8 -6.083 -2.965 -1.937 76 HB3 GLN 8 HB2 GLN 8 -6.256 -4.653 -1.475 77 HG2 GLN 8 HG3 GLN 8 -4.788 -4.164 0.495 78 HG3 GLN 8 HG2 GLN 8 -4.896 -2.457 0.065 79 HE21 GLN 8 HE22 GLN 8 -7.176 -5.174 0.293 80 HE22 GLN 8 HE21 GLN 8 -8.336 -4.340 1.266 81 H SER 9 H SER 9 -3.968 -2.761 -4.285 82 HA SER 9 HA SER 9 -5.238 -4.749 -6.024 83 HB2 SER 9 HB3 SER 9 -4.525 -1.861 -6.582 84 HB3 SER 9 HB2 SER 9 -5.398 -2.935 -7.673 85 HG SER 9 HG SER 9 -6.306 -2.361 -5.056 86 H VAL 10 H VAL 10 -2.207 -3.170 -5.370 87 HA VAL 10 HA VAL 10 -0.826 -3.612 -7.738 88 HB VAL 10 HB VAL 10 1.237 -3.664 -6.345 89 HG11 VAL 10 HG11 VAL 10 -0.795 -1.561 -6.358 90 HG12 VAL 10 HG12 VAL 10 0.921 -1.484 -6.756 91 HG13 VAL 10 HG13 VAL 10 0.402 -1.397 -5.073 92 HG21 VAL 10 HG21 VAL 10 0.726 -4.758 -4.375 93 HG22 VAL 10 HG22 VAL 10 -0.790 -3.883 -4.160 94 HG23 VAL 10 HG23 VAL 10 0.746 -3.071 -3.859 95 H GLY 11 H GLY 11 -1.682 -5.850 -5.192 96 HA2 GLY 11 HA3 GLY 11 -1.878 -8.193 -6.088 97 HA3 GLY 11 HA2 GLY 11 -0.224 -7.977 -6.635 98 H LEU 12 H LEU 12 -0.295 -6.369 -3.805 99 HA LEU 12 HA LEU 12 1.225 -8.290 -2.422 100 HB2 LEU 12 HB3 LEU 12 0.221 -5.595 -1.939 101 HB3 LEU 12 HB2 LEU 12 0.283 -6.560 -0.477 102 HG LEU 12 HG LEU 12 2.696 -6.559 -2.212 103 HD11 LEU 12 HD11 LEU 12 1.618 -4.143 -1.744 104 HD12 LEU 12 HD12 LEU 12 3.354 -4.439 -1.825 105 HD13 LEU 12 HD13 LEU 12 2.546 -4.357 -0.260 106 HD21 LEU 12 HD21 LEU 12 2.112 -6.664 0.734 107 HD22 LEU 12 HD22 LEU 12 3.743 -6.464 0.094 108 HD23 LEU 12 HD23 LEU 12 2.818 -7.916 -0.289 109 H VAL 13 H VAL 13 -1.944 -6.967 -1.444 110 HA VAL 13 HA VAL 13 -2.521 -9.562 -0.173 111 HB VAL 13 HB VAL 13 -4.217 -8.266 1.167 112 HG11 VAL 13 HG11 VAL 13 -1.962 -8.926 1.997 113 HG12 VAL 13 HG12 VAL 13 -2.616 -7.481 2.766 114 HG13 VAL 13 HG13 VAL 13 -1.374 -7.332 1.523 115 HG21 VAL 13 HG21 VAL 13 -3.969 -5.847 1.305 116 HG22 VAL 13 HG22 VAL 13 -4.395 -6.336 -0.335 117 HG23 VAL 13 HG23 VAL 13 -2.733 -5.889 0.048 118 H LYS 14 H LYS 14 -4.304 -10.686 -0.730 119 HA LYS 14 HA LYS 14 -6.369 -9.407 -2.353 120 HB2 LYS 14 HB3 LYS 14 -4.359 -10.958 -3.516 121 HB3 LYS 14 HB2 LYS 14 -5.744 -12.036 -3.414 122 HG2 LYS 14 HG3 LYS 14 -6.702 -9.560 -4.363 123 HG3 LYS 14 HG2 LYS 14 -5.232 -9.930 -5.266 124 HD2 LYS 14 HD3 LYS 14 -7.097 -12.181 -4.895 125 HD3 LYS 14 HD2 LYS 14 -7.686 -10.865 -5.913 126 HE2 LYS 14 HE3 LYS 14 -6.621 -12.134 -7.487 127 HE3 LYS 14 HE2 LYS 14 -5.292 -11.086 -6.993 128 HZ1 LYS 14 HZ1 LYS 14 -4.222 -13.020 -6.719 129 HZ2 LYS 14 HZ2 LYS 14 -5.643 -13.933 -6.609 130 HZ3 LYS 14 HZ3 LYS 14 -5.060 -13.107 -5.252 131 H ARG 15 H ARG 15 -7.980 -11.428 -2.962 132 HA ARG 15 HA ARG 15 -9.608 -12.785 -2.140 133 HB2 ARG 15 HB3 ARG 15 -7.747 -14.354 -1.836 134 HB3 ARG 15 HB2 ARG 15 -7.415 -13.664 -0.253 135 HG2 ARG 15 HG3 ARG 15 -8.991 -14.891 0.729 136 HG3 ARG 15 HG2 ARG 15 -10.173 -14.537 -0.533 137 HD2 ARG 15 HD3 ARG 15 -8.028 -16.327 -1.393 138 HD3 ARG 15 HD2 ARG 15 -9.007 -16.974 -0.077 139 HE ARG 15 HE ARG 15 -10.552 -15.882 -2.240 140 HH11 ARG 15 HH11 ARG 15 -8.915 -18.720 -1.041 141 HH12 ARG 15 HH12 ARG 15 -9.872 -19.821 -1.975 142 HH21 ARG 15 HH22 ARG 15 -11.813 -17.328 -3.468 143 HH22 ARG 15 HH21 ARG 15 -11.517 -19.031 -3.353 144 H ARG 16 H ARG 16 -10.630 -10.774 -1.416 145 HA ARG 16 HA ARG 16 -11.356 -10.957 1.358 146 HB2 ARG 16 HB3 ARG 16 -9.264 -9.194 0.668 147 HB3 ARG 16 HB2 ARG 16 -10.681 -8.188 0.940 148 HG2 ARG 16 HG3 ARG 16 -10.885 -8.854 3.157 149 HG3 ARG 16 HG2 ARG 16 -9.899 -10.298 2.913 150 HD2 ARG 16 HD3 ARG 16 -8.143 -8.335 2.245 151 HD3 ARG 16 HD2 ARG 16 -9.098 -7.531 3.490 152 HE ARG 16 HE ARG 16 -8.031 -8.817 5.032 153 HH11 ARG 16 HH11 ARG 16 -7.864 -10.458 1.957 154 HH12 ARG 16 HH12 ARG 16 -6.876 -11.747 2.556 155 HH21 ARG 16 HH22 ARG 16 -6.731 -10.512 5.823 156 HH22 ARG 16 HH21 ARG 16 -6.232 -11.778 4.751 157 H VAL 17 H VAL 17 -11.444 -8.780 -1.459 158 HA VAL 17 HA VAL 17 -13.175 -7.804 -2.570 159 HB VAL 17 HB VAL 17 -14.993 -9.701 -1.085 160 HG11 VAL 17 HG11 VAL 17 -15.683 -7.620 -2.657 161 HG12 VAL 17 HG12 VAL 17 -16.638 -9.094 -2.499 162 HG13 VAL 17 HG13 VAL 17 -15.539 -8.898 -3.864 163 HG21 VAL 17 HG21 VAL 17 -13.437 -11.139 -2.064 164 HG22 VAL 17 HG22 VAL 17 -13.260 -10.125 -3.496 165 HG23 VAL 17 HG23 VAL 17 -14.738 -11.057 -3.252 166 H LEU 18 H LEU 18 -13.094 -5.783 -1.671 167 HA LEU 18 HA LEU 18 -13.784 -3.964 -0.490 168 HB2 LEU 18 HB3 LEU 18 -16.168 -5.771 -0.285 169 HB3 LEU 18 HB2 LEU 18 -16.150 -4.232 0.555 170 HG LEU 18 HG LEU 18 -15.403 -4.006 -2.263 171 HD11 LEU 18 HD11 LEU 18 -17.073 -5.899 -2.279 172 HD12 LEU 18 HD12 LEU 18 -17.501 -4.480 -3.237 173 HD13 LEU 18 HD13 LEU 18 -18.255 -4.743 -1.664 174 HD21 LEU 18 HD21 LEU 18 -17.468 -2.364 -1.946 175 HD22 LEU 18 HD22 LEU 18 -15.852 -1.970 -1.360 176 HD23 LEU 18 HD23 LEU 18 -17.062 -2.606 -0.246 177 H ALA 19 H ALA 19 -14.922 -3.437 1.832 178 HA ALA 19 HA ALA 19 -14.757 -3.522 4.104 179 HB1 ALA 19 HB1 ALA 19 -15.332 -5.983 3.694 180 HB2 ALA 19 HB2 ALA 19 -14.566 -5.563 5.226 181 HB3 ALA 19 HB3 ALA 19 -13.612 -6.290 3.933 182 H THR 20 H THR 20 -13.267 -2.310 5.032 183 HA THR 20 HA THR 20 -10.429 -3.010 4.648 184 HB THR 20 HB THR 20 -9.849 -0.702 4.618 185 HG1 THR 20 HG1 THR 20 -12.546 -0.200 5.332 186 HG21 THR 20 HG21 THR 20 -12.390 -0.835 3.020 187 HG22 THR 20 HG22 THR 20 -10.851 -1.523 2.501 188 HG23 THR 20 HG23 THR 20 -11.000 0.217 2.749 189 H ASP 21 H ASP 21 -9.972 -4.072 6.506 190 HA ASP 21 HA ASP 21 -10.853 -2.930 9.051 191 HB2 ASP 21 HB3 ASP 21 -10.686 -5.541 8.163 192 HB3 ASP 21 HB2 ASP 21 -9.262 -5.383 9.187 193 H MET 22 H MET 22 -7.986 -3.484 7.145 194 HA MET 22 HA MET 22 -6.010 -3.194 9.086 195 HB2 MET 22 HB3 MET 22 -6.113 -2.606 6.149 196 HB3 MET 22 HB2 MET 22 -4.685 -2.181 7.082 197 HG2 MET 22 HG3 MET 22 -4.060 -4.336 7.375 198 HG3 MET 22 HG2 MET 22 -5.718 -4.933 7.393 199 HE1 MET 22 HE1 MET 22 -3.371 -6.283 6.281 200 HE2 MET 22 HE2 MET 22 -3.302 -6.468 4.529 201 HE3 MET 22 HE3 MET 22 -4.656 -7.145 5.435 202 H CYS 23 H CYS 23 -8.079 -0.828 7.608 203 HA CYS 23 HA CYS 23 -6.518 1.452 8.360 204 HB2 CYS 23 HB3 CYS 23 -8.425 2.763 7.626 205 HB3 CYS 23 HB2 CYS 23 -8.105 1.484 6.460 206 HG CYS 23 HG CYS 23 -10.372 0.640 6.804 207 H ASN 24 H ASN 24 -8.930 -0.510 9.898 208 HA ASN 24 HA ASN 24 -9.447 1.448 11.978 209 HB2 ASN 24 HB3 ASN 24 -10.872 -0.725 10.914 210 HB3 ASN 24 HB2 ASN 24 -10.464 -1.197 12.560 211 HD21 ASN 24 HD22 ASN 24 -12.967 -0.246 11.071 212 HD22 ASN 24 HD21 ASN 24 -13.636 0.940 12.133 213 H VAL 25 H VAL 25 -7.973 -1.778 11.713 214 HA VAL 25 HA VAL 25 -7.247 -2.101 14.384 215 HB VAL 25 HB VAL 25 -5.522 -3.671 13.578 216 HG11 VAL 25 HG11 VAL 25 -7.058 -5.253 13.109 217 HG12 VAL 25 HG12 VAL 25 -7.777 -4.317 11.799 218 HG13 VAL 25 HG13 VAL 25 -8.203 -3.962 13.474 219 HG21 VAL 25 HG21 VAL 25 -4.546 -2.916 11.666 220 HG22 VAL 25 HG22 VAL 25 -6.054 -2.263 11.023 221 HG23 VAL 25 HG23 VAL 25 -5.740 -3.998 10.948 222 H GLY 26 H GLY 26 -5.727 -0.264 11.822 223 HA2 GLY 26 HA3 GLY 26 -4.419 1.682 12.553 224 HA3 GLY 26 HA2 GLY 26 -3.705 0.643 13.778 225 H ALA 27 H ALA 27 -4.224 -0.621 10.592 226 HA ALA 27 HA ALA 27 -1.354 -0.912 10.250 227 HB1 ALA 27 HB1 ALA 27 -3.769 -2.175 9.108 228 HB2 ALA 27 HB2 ALA 27 -2.242 -2.896 9.617 229 HB3 ALA 27 HB3 ALA 27 -2.355 -2.081 8.057 230 H VAL 28 H VAL 28 -4.008 0.915 8.922 231 HA VAL 28 HA VAL 28 -2.523 1.823 6.621 232 HB VAL 28 HB VAL 28 -5.162 2.783 7.741 233 HG11 VAL 28 HG11 VAL 28 -3.605 3.526 5.302 234 HG12 VAL 28 HG12 VAL 28 -4.474 4.560 6.436 235 HG13 VAL 28 HG13 VAL 28 -5.367 3.579 5.274 236 HG21 VAL 28 HG21 VAL 28 -6.152 1.481 5.908 237 HG22 VAL 28 HG22 VAL 28 -5.252 0.460 7.030 238 HG23 VAL 28 HG23 VAL 28 -4.547 0.892 5.472 239 H TRP 29 H TRP 29 -0.877 3.170 6.931 240 HA TRP 29 HA TRP 29 -1.353 5.653 8.382 241 HB2 TRP 29 HB3 TRP 29 0.646 3.579 9.156 242 HB3 TRP 29 HB2 TRP 29 1.102 5.271 9.316 243 HD1 TRP 29 HD1 TRP 29 -1.882 3.032 10.425 244 HE1 TRP 29 HE1 TRP 29 -2.589 3.780 12.784 245 HE3 TRP 29 HE3 TRP 29 1.395 6.904 11.065 246 HZ2 TRP 29 HZ2 TRP 29 -1.853 5.750 14.667 247 HZ3 TRP 29 HZ3 TRP 29 1.329 8.169 13.173 248 HH2 TRP 29 HH2 TRP 29 -0.264 7.603 14.937 249 H LEU 30 H LEU 30 -1.002 7.091 6.831 250 HA LEU 30 HA LEU 30 1.180 6.654 4.925 251 HB2 LEU 30 HB3 LEU 30 -1.457 7.783 4.748 252 HB3 LEU 30 HB2 LEU 30 -0.274 8.972 4.235 253 HG LEU 30 HG LEU 30 -1.187 7.615 2.372 254 HD11 LEU 30 HD11 LEU 30 1.683 7.814 3.044 255 HD12 LEU 30 HD12 LEU 30 0.789 8.461 1.669 256 HD13 LEU 30 HD13 LEU 30 1.255 6.760 1.696 257 HD21 LEU 30 HD21 LEU 30 -1.106 5.512 4.003 258 HD22 LEU 30 HD22 LEU 30 0.446 5.285 3.196 259 HD23 LEU 30 HD23 LEU 30 -1.041 5.353 2.248 260 H ASN 31 H ASN 31 2.951 7.907 4.871 261 HA ASN 31 HA ASN 31 4.520 9.420 5.519 262 HB2 ASN 31 HB3 ASN 31 2.589 10.890 4.538 263 HB3 ASN 31 HB2 ASN 31 2.349 11.369 6.215 264 HD21 ASN 31 HD22 ASN 31 3.610 12.456 3.531 265 HD22 ASN 31 HD21 ASN 31 4.995 13.308 4.114 266 H GLY 32 H GLY 32 3.717 7.598 7.492 267 HA2 GLY 32 HA3 GLY 32 3.998 7.224 9.739 268 HA3 GLY 32 HA2 GLY 32 4.799 8.787 9.803 269 H SER 33 H SER 33 1.510 8.463 8.695 270 HA SER 33 HA SER 33 0.511 9.437 11.276 271 HB2 SER 33 HB3 SER 33 0.934 11.206 9.297 272 HB3 SER 33 HB2 SER 33 -0.682 10.660 8.846 273 HG SER 33 HG SER 33 -1.468 11.376 10.763 274 H CYS 34 H CYS 34 -1.587 8.848 11.776 275 HA CYS 34 HA CYS 34 -2.552 6.455 10.697 276 HB2 CYS 34 HB3 CYS 34 -3.052 7.687 12.974 277 HB3 CYS 34 HB2 CYS 34 -4.416 8.345 12.077 278 HG CYS 34 HG CYS 34 -4.465 5.742 13.377 279 H ALA 35 H ALA 35 -3.503 6.080 8.819 280 HA ALA 35 HA ALA 35 -5.090 8.238 7.584 281 HB1 ALA 35 HB1 ALA 35 -4.517 6.742 5.458 282 HB2 ALA 35 HB2 ALA 35 -3.114 6.342 6.450 283 HB3 ALA 35 HB3 ALA 35 -3.449 8.023 6.028 284 H LYS 36 H LYS 36 -6.776 7.404 6.038 285 HA LYS 36 HA LYS 36 -8.166 5.141 7.292 286 HB2 LYS 36 HB3 LYS 36 -9.099 7.635 6.853 287 HB3 LYS 36 HB2 LYS 36 -9.595 6.864 5.352 288 HG2 LYS 36 HG3 LYS 36 -11.157 5.589 6.362 289 HG3 LYS 36 HG2 LYS 36 -10.200 5.386 7.830 290 HD2 LYS 36 HD3 LYS 36 -10.836 7.515 8.651 291 HD3 LYS 36 HD2 LYS 36 -11.515 7.989 7.092 292 HE2 LYS 36 HE3 LYS 36 -13.425 6.769 7.397 293 HE3 LYS 36 HE2 LYS 36 -12.630 5.581 8.428 294 HZ1 LYS 36 HZ1 LYS 36 -12.884 6.877 10.276 295 HZ2 LYS 36 HZ2 LYS 36 -14.281 7.312 9.426 296 HZ3 LYS 36 HZ3 LYS 36 -12.929 8.329 9.410 297 H ALA 37 H ALA 37 -9.909 4.358 5.407 298 HA ALA 37 HA ALA 37 -8.157 3.116 3.428 299 HB1 ALA 37 HB1 ALA 37 -10.067 2.034 5.000 300 HB2 ALA 37 HB2 ALA 37 -9.523 1.331 3.477 301 HB3 ALA 37 HB3 ALA 37 -10.985 2.316 3.522 302 H SER 38 H SER 38 -9.089 5.927 3.209 303 HA SER 38 HA SER 38 -9.970 5.776 0.456 304 HB2 SER 38 HB3 SER 38 -11.877 6.199 2.480 305 HB3 SER 38 HB2 SER 38 -11.593 7.783 1.758 306 HG SER 38 HG SER 38 -11.881 6.624 -0.317 307 H LYS 39 H LYS 39 -7.612 6.668 2.003 308 HA LYS 39 HA LYS 39 -7.622 9.549 1.467 309 HB2 LYS 39 HB3 LYS 39 -6.358 7.863 3.439 310 HB3 LYS 39 HB2 LYS 39 -5.147 8.805 2.581 311 HG2 LYS 39 HG3 LYS 39 -7.352 10.495 3.247 312 HG3 LYS 39 HG2 LYS 39 -6.823 9.625 4.688 313 HD2 LYS 39 HD3 LYS 39 -4.870 10.738 4.789 314 HD3 LYS 39 HD2 LYS 39 -4.644 10.699 3.040 315 HE2 LYS 39 HE3 LYS 39 -6.827 12.427 3.997 316 HE3 LYS 39 HE2 LYS 39 -5.204 12.936 4.462 317 HZ1 LYS 39 HZ1 LYS 39 -6.361 12.670 1.768 318 HZ2 LYS 39 HZ2 LYS 39 -4.687 12.545 1.977 319 HZ3 LYS 39 HZ3 LYS 39 -5.494 13.960 2.436 320 H GLU 40 H GLU 40 -6.711 10.320 -0.316 321 HA GLU 40 HA GLU 40 -5.484 8.643 -2.235 322 HB2 GLU 40 HB3 GLU 40 -6.026 11.555 -1.974 323 HB3 GLU 40 HB2 GLU 40 -4.793 11.068 -3.130 324 HG2 GLU 40 HG3 GLU 40 -6.431 10.759 -4.585 325 HG3 GLU 40 HG2 GLU 40 -6.896 9.347 -3.637 326 H VAL 41 H VAL 41 -3.350 8.534 -2.943 327 HA VAL 41 HA VAL 41 -1.335 9.661 -1.113 328 HB VAL 41 HB VAL 41 0.032 7.597 -1.549 329 HG11 VAL 41 HG11 VAL 41 -2.408 6.596 -0.231 330 HG12 VAL 41 HG12 VAL 41 -1.749 8.106 0.399 331 HG13 VAL 41 HG13 VAL 41 -0.744 6.658 0.350 332 HG21 VAL 41 HG21 VAL 41 -0.859 5.697 -2.541 333 HG22 VAL 41 HG22 VAL 41 -1.477 6.994 -3.564 334 HG23 VAL 41 HG23 VAL 41 -2.521 6.255 -2.350 335 H LYS 42 H LYS 42 0.575 10.366 -2.023 336 HA LYS 42 HA LYS 42 0.559 10.563 -4.958 337 HB2 LYS 42 HB3 LYS 42 2.190 12.486 -4.510 338 HB3 LYS 42 HB2 LYS 42 0.502 12.745 -4.090 339 HG2 LYS 42 HG3 LYS 42 2.194 11.663 -1.939 340 HG3 LYS 42 HG2 LYS 42 2.568 13.307 -2.461 341 HD2 LYS 42 HD3 LYS 42 0.177 13.897 -2.148 342 HD3 LYS 42 HD2 LYS 42 -0.102 12.276 -1.507 343 HE2 LYS 42 HE3 LYS 42 0.842 12.762 0.477 344 HE3 LYS 42 HE2 LYS 42 2.118 13.734 -0.256 345 HZ1 LYS 42 HZ1 LYS 42 0.670 15.588 -0.403 346 HZ2 LYS 42 HZ2 LYS 42 0.527 14.986 1.173 347 HZ3 LYS 42 HZ3 LYS 42 -0.681 14.669 0.032 348 H ALA 43 H ALA 43 2.872 10.875 -5.858 349 HA ALA 43 HA ALA 43 4.320 8.485 -5.292 350 HB1 ALA 43 HB1 ALA 43 5.820 9.184 -7.044 351 HB2 ALA 43 HB2 ALA 43 5.178 10.825 -6.991 352 HB3 ALA 43 HB3 ALA 43 4.160 9.497 -7.547 353 H GLY 44 H GLY 44 5.920 8.154 -3.898 354 HA2 GLY 44 HA3 GLY 44 7.958 8.717 -2.820 355 HA3 GLY 44 HA2 GLY 44 7.561 10.418 -3.018 356 H ASP 45 H ASP 45 5.231 8.118 -1.819 357 HA ASP 45 HA ASP 45 5.354 9.456 0.797 358 HB2 ASP 45 HB3 ASP 45 3.123 8.241 -0.785 359 HB3 ASP 45 HB2 ASP 45 2.996 8.297 0.971 360 H THR 46 H THR 46 5.067 8.190 2.715 361 HA THR 46 HA THR 46 6.254 5.534 2.454 362 HB THR 46 HB THR 46 5.775 7.195 4.936 363 HG1 THR 46 HG1 THR 46 8.012 6.930 3.234 364 HG21 THR 46 HG21 THR 46 7.945 5.280 5.010 365 HG22 THR 46 HG22 THR 46 6.372 4.512 4.800 366 HG23 THR 46 HG23 THR 46 6.656 5.581 6.174 367 H ILE 47 H ILE 47 4.969 3.827 2.407 368 HA ILE 47 HA ILE 47 2.295 4.006 3.595 369 HB ILE 47 HB ILE 47 3.378 1.830 1.807 370 HG12 ILE 47 HG13 ILE 47 1.755 4.280 1.083 371 HG13 ILE 47 HG12 ILE 47 3.433 3.986 0.640 372 HG21 ILE 47 HG21 ILE 47 0.682 1.909 1.456 373 HG22 ILE 47 HG22 ILE 47 0.827 2.330 3.162 374 HG23 ILE 47 HG23 ILE 47 1.521 0.823 2.563 375 HD11 ILE 47 HD11 ILE 47 2.874 2.660 -1.069 376 HD12 ILE 47 HD12 ILE 47 1.300 3.442 -0.931 377 HD13 ILE 47 HD13 ILE 47 1.577 1.874 -0.170 378 H SER 48 H SER 48 2.485 3.545 5.729 379 HA SER 48 HA SER 48 4.182 1.399 6.657 380 HB2 SER 48 HB3 SER 48 2.205 2.643 8.492 381 HB3 SER 48 HB2 SER 48 3.910 2.276 8.751 382 HG SER 48 HG SER 48 3.967 4.408 8.553 383 H LEU 49 H LEU 49 3.495 -0.496 7.679 384 HA LEU 49 HA LEU 49 0.654 -1.178 7.465 385 HB2 LEU 49 HB3 LEU 49 2.898 -2.412 6.002 386 HB3 LEU 49 HB2 LEU 49 1.794 -3.541 6.763 387 HG LEU 49 HG LEU 49 1.125 -3.185 4.475 388 HD11 LEU 49 HD11 LEU 49 -0.597 -3.396 6.312 389 HD12 LEU 49 HD12 LEU 49 -1.157 -2.682 4.799 390 HD13 LEU 49 HD13 LEU 49 -0.810 -1.650 6.188 391 HD21 LEU 49 HD21 LEU 49 1.119 -1.212 3.419 392 HD22 LEU 49 HD22 LEU 49 2.085 -0.646 4.781 393 HD23 LEU 49 HD23 LEU 49 0.341 -0.384 4.767 394 H HIS 50 H HIS 50 -0.102 -2.464 9.084 395 HA HIS 50 HA HIS 50 1.805 -3.106 11.214 396 HB2 HIS 50 HB3 HIS 50 -0.236 -1.699 11.694 397 HB3 HIS 50 HB2 HIS 50 -1.212 -3.130 11.376 398 HD1 HIS 50 HD1 HIS 50 1.605 -4.467 12.978 399 HD2 HIS 50 HD2 HIS 50 -1.647 -2.246 14.302 400 HE1 HIS 50 HE1 HIS 50 1.471 -4.883 15.454 401 HE2 HIS 50 HE2 HIS 50 -0.448 -3.457 16.248 402 H TYR 51 H TYR 51 2.578 -5.103 11.202 403 HA TYR 51 HA TYR 51 0.764 -7.305 10.459 404 HB2 TYR 51 HB3 TYR 51 3.659 -6.845 9.842 405 HB3 TYR 51 HB2 TYR 51 3.054 -8.493 9.973 406 HD1 TYR 51 HD1 TYR 51 1.760 -5.335 8.437 407 HD2 TYR 51 HD2 TYR 51 2.707 -9.449 7.909 408 HE1 TYR 51 HE1 TYR 51 0.955 -5.216 6.117 409 HE2 TYR 51 HE2 TYR 51 1.907 -9.340 5.586 410 HH TYR 51 HH TYR 51 1.274 -6.413 3.993 411 H LEU 52 H LEU 52 1.958 -9.478 11.315 412 HA LEU 52 HA LEU 52 1.931 -9.168 14.201 413 HB2 LEU 52 HB3 LEU 52 2.022 -11.683 14.165 414 HB3 LEU 52 HB2 LEU 52 0.610 -10.960 13.419 415 HG LEU 52 HG LEU 52 2.695 -11.390 11.459 416 HD11 LEU 52 HD11 LEU 52 2.115 -13.992 11.633 417 HD12 LEU 52 HD12 LEU 52 2.109 -13.585 13.348 418 HD13 LEU 52 HD13 LEU 52 3.545 -13.275 12.374 419 HD21 LEU 52 HD21 LEU 52 0.047 -11.140 11.400 420 HD22 LEU 52 HD22 LEU 52 0.146 -12.900 11.446 421 HD23 LEU 52 HD23 LEU 52 0.944 -12.006 10.151 422 H LYS 53 H LYS 53 4.170 -10.058 11.647 423 HA LYS 53 HA LYS 53 6.252 -10.849 13.472 424 HB2 LYS 53 HB3 LYS 53 7.632 -11.104 11.488 425 HB3 LYS 53 HB2 LYS 53 6.061 -11.850 11.229 426 HG2 LYS 53 HG3 LYS 53 5.363 -9.785 10.017 427 HG3 LYS 53 HG2 LYS 53 7.028 -9.214 10.149 428 HD2 LYS 53 HD3 LYS 53 6.181 -11.794 8.833 429 HD3 LYS 53 HD2 LYS 53 6.547 -10.295 7.977 430 HE2 LYS 53 HE3 LYS 53 8.823 -10.352 8.718 431 HE3 LYS 53 HE2 LYS 53 8.491 -11.710 9.793 432 HZ1 LYS 53 HZ1 LYS 53 9.581 -12.122 7.499 433 HZ2 LYS 53 HZ2 LYS 53 8.002 -11.991 6.906 434 HZ3 LYS 53 HZ3 LYS 53 8.380 -13.179 8.048 435 H GLY 54 H GLY 54 5.287 -7.941 11.805 436 HA2 GLY 54 HA3 GLY 54 6.424 -6.082 13.367 437 HA3 GLY 54 HA2 GLY 54 7.787 -6.581 12.376 438 H ILE 55 H ILE 55 7.009 -3.987 12.297 439 HA ILE 55 HA ILE 55 5.131 -3.464 10.203 440 HB ILE 55 HB ILE 55 7.244 -1.579 11.241 441 HG12 ILE 55 HG13 ILE 55 5.970 -2.500 13.125 442 HG13 ILE 55 HG12 ILE 55 5.565 -0.807 12.860 443 HG21 ILE 55 HG21 ILE 55 4.992 -0.130 10.690 444 HG22 ILE 55 HG22 ILE 55 4.969 -1.357 9.423 445 HG23 ILE 55 HG23 ILE 55 6.377 -0.315 9.614 446 HD11 ILE 55 HD11 ILE 55 3.425 -1.286 12.536 447 HD12 ILE 55 HD12 ILE 55 3.796 -2.905 13.129 448 HD13 ILE 55 HD13 ILE 55 3.808 -2.575 11.395 449 H GLU 56 H GLU 56 5.457 -3.247 8.069 450 HA GLU 56 HA GLU 56 8.062 -3.949 7.006 451 HB2 GLU 56 HB3 GLU 56 5.371 -3.495 5.713 452 HB3 GLU 56 HB2 GLU 56 6.829 -3.849 4.796 453 HG2 GLU 56 HG3 GLU 56 5.538 -5.619 6.859 454 HG3 GLU 56 HG2 GLU 56 5.526 -5.853 5.111 455 H GLU 57 H GLU 57 5.746 -1.272 6.664 456 HA GLU 57 HA GLU 57 6.014 0.915 6.110 457 HB2 GLU 57 HB3 GLU 57 7.849 0.549 7.946 458 HB3 GLU 57 HB2 GLU 57 8.961 0.725 6.595 459 HG2 GLU 57 HG3 GLU 57 7.420 2.872 6.174 460 HG3 GLU 57 HG2 GLU 57 7.251 2.727 7.924 461 H TYR 58 H TYR 58 5.549 0.705 3.932 462 HA TYR 58 HA TYR 58 7.770 0.243 2.088 463 HB2 TYR 58 HB3 TYR 58 4.842 0.597 1.429 464 HB3 TYR 58 HB2 TYR 58 6.103 -0.013 0.363 465 HD1 TYR 58 HD1 TYR 58 4.285 -0.783 3.516 466 HD2 TYR 58 HD2 TYR 58 6.555 -2.304 0.256 467 HE1 TYR 58 HE1 TYR 58 3.787 -3.078 4.247 468 HE2 TYR 58 HE2 TYR 58 6.063 -4.604 0.978 469 HH TYR 58 HH TYR 58 5.394 -5.816 2.935 470 H THR 59 H THR 59 7.373 1.652 -0.055 471 HA THR 59 HA THR 59 6.763 4.420 0.605 472 HB THR 59 HB THR 59 9.496 3.507 -0.310 473 HG1 THR 59 HG1 THR 59 10.135 4.592 1.601 474 HG21 THR 59 HG21 THR 59 8.747 5.580 -1.485 475 HG22 THR 59 HG22 THR 59 10.182 5.770 -0.477 476 HG23 THR 59 HG23 THR 59 8.618 6.352 0.096 477 H ILE 60 H ILE 60 5.644 5.275 -1.015 478 HA ILE 60 HA ILE 60 5.385 3.900 -3.514 479 HB ILE 60 HB ILE 60 4.347 6.652 -2.843 480 HG12 ILE 60 HG13 ILE 60 2.848 4.054 -2.507 481 HG13 ILE 60 HG12 ILE 60 3.721 4.819 -1.182 482 HG21 ILE 60 HG21 ILE 60 2.522 5.424 -4.461 483 HG22 ILE 60 HG22 ILE 60 4.049 4.811 -5.092 484 HG23 ILE 60 HG23 ILE 60 3.767 6.549 -5.002 485 HD11 ILE 60 HD11 ILE 60 2.136 6.834 -2.262 486 HD12 ILE 60 HD12 ILE 60 1.881 5.962 -0.751 487 HD13 ILE 60 HD13 ILE 60 1.113 5.397 -2.235 488 H LEU 61 H LEU 61 6.381 4.291 -5.395 489 HA LEU 61 HA LEU 61 8.282 6.529 -5.487 490 HB2 LEU 61 HB3 LEU 61 8.228 3.958 -7.066 491 HB3 LEU 61 HB2 LEU 61 9.419 5.230 -7.260 492 HG LEU 61 HG LEU 61 9.001 3.681 -4.704 493 HD11 LEU 61 HD11 LEU 61 9.924 2.027 -5.942 494 HD12 LEU 61 HD12 LEU 61 11.408 2.894 -5.545 495 HD13 LEU 61 HD13 LEU 61 10.633 3.143 -7.110 496 HD21 LEU 61 HD21 LEU 61 11.051 4.692 -3.981 497 HD22 LEU 61 HD22 LEU 61 9.951 5.971 -4.495 498 HD23 LEU 61 HD23 LEU 61 11.274 5.470 -5.547 499 H GLN 62 H GLN 62 5.300 5.560 -6.698 500 HA GLN 62 HA GLN 62 4.991 7.794 -8.349 501 HB2 GLN 62 HB3 GLN 62 6.551 5.997 -9.647 502 HB3 GLN 62 HB2 GLN 62 4.958 5.463 -10.165 503 HG2 GLN 62 HG3 GLN 62 4.546 7.369 -11.347 504 HG3 GLN 62 HG2 GLN 62 5.589 8.359 -10.328 505 HE21 GLN 62 HE22 GLN 62 5.799 8.726 -12.948 506 HE22 GLN 62 HE21 GLN 62 7.257 8.037 -13.569 507 H ILE 63 H ILE 63 2.908 7.857 -9.420 508 HA ILE 63 HA ILE 63 1.041 5.795 -8.445 509 HB ILE 63 HB ILE 63 0.329 8.708 -8.743 510 HG12 ILE 63 HG13 ILE 63 2.083 8.447 -7.019 511 HG13 ILE 63 HG12 ILE 63 0.537 8.925 -6.323 512 HG21 ILE 63 HG21 ILE 63 -1.290 6.551 -8.613 513 HG22 ILE 63 HG22 ILE 63 -1.732 8.156 -8.028 514 HG23 ILE 63 HG23 ILE 63 -1.131 6.942 -6.900 515 HD11 ILE 63 HD11 ILE 63 1.737 7.211 -5.014 516 HD12 ILE 63 HD12 ILE 63 1.579 6.105 -6.378 517 HD13 ILE 63 HD13 ILE 63 0.138 6.693 -5.549 518 HA PRO 64 HA PRO 64 0.591 5.985 -13.018 519 HB2 PRO 64 HB2 PRO 64 -0.049 3.370 -13.316 520 HB3 PRO 64 HB3 PRO 64 1.619 3.937 -13.197 521 HG2 PRO 64 HG3 PRO 64 -0.127 2.740 -11.081 522 HG3 PRO 64 HG2 PRO 64 1.578 2.412 -11.440 523 HD2 PRO 64 HD3 PRO 64 0.801 4.037 -9.418 524 HD3 PRO 64 HD2 PRO 64 2.306 4.292 -10.323 525 H ALA 65 H ALA 65 -1.496 5.287 -10.414 526 HA ALA 65 HA ALA 65 -3.755 5.362 -10.154 527 HB1 ALA 65 HB1 ALA 65 -3.422 7.507 -11.391 528 HB2 ALA 65 HB2 ALA 65 -5.017 6.787 -11.598 529 HB3 ALA 65 HB3 ALA 65 -3.814 6.648 -12.879 530 H LEU 66 H LEU 66 -3.062 2.922 -10.720 531 HA LEU 66 HA LEU 66 -4.866 2.023 -12.871 532 HB2 LEU 66 HB3 LEU 66 -2.681 0.301 -11.773 533 HB3 LEU 66 HB2 LEU 66 -3.468 0.225 -13.337 534 HG LEU 66 HG LEU 66 -1.564 2.412 -12.503 535 HD11 LEU 66 HD11 LEU 66 0.175 1.293 -13.464 536 HD12 LEU 66 HD12 LEU 66 -0.871 0.357 -14.533 537 HD13 LEU 66 HD13 LEU 66 -0.741 -0.072 -12.827 538 HD21 LEU 66 HD21 LEU 66 -1.547 2.950 -14.889 539 HD22 LEU 66 HD22 LEU 66 -3.166 3.096 -14.205 540 HD23 LEU 66 HD23 LEU 66 -2.746 1.689 -15.182 541 H LYS 67 H LYS 67 -5.610 -0.327 -12.456 542 HA LYS 67 HA LYS 67 -6.663 -0.418 -9.717 543 HB2 LYS 67 HB3 LYS 67 -7.688 -1.331 -12.364 544 HB3 LYS 67 HB2 LYS 67 -8.195 -2.210 -10.929 545 HG2 LYS 67 HG3 LYS 67 -9.444 -0.485 -10.138 546 HG3 LYS 67 HG2 LYS 67 -8.412 0.744 -10.872 547 HD2 LYS 67 HD3 LYS 67 -9.853 -1.007 -12.754 548 HD3 LYS 67 HD2 LYS 67 -10.860 0.082 -11.797 549 HE2 LYS 67 HE3 LYS 67 -8.463 0.950 -13.405 550 HE3 LYS 67 HE2 LYS 67 -10.127 1.027 -13.983 551 HZ1 LYS 67 HZ1 LYS 67 -9.687 2.264 -11.409 552 HZ2 LYS 67 HZ2 LYS 67 -10.551 2.829 -12.750 553 HZ3 LYS 67 HZ3 LYS 67 -8.870 3.012 -12.687 554 H ASN 68 H ASN 68 -4.101 -1.635 -11.224 555 HA ASN 68 HA ASN 68 -3.605 -3.680 -9.409 556 HB2 ASN 68 HB3 ASN 68 -3.739 -5.636 -11.049 557 HB3 ASN 68 HB2 ASN 68 -5.263 -5.052 -10.388 558 HD21 ASN 68 HD22 ASN 68 -6.741 -4.092 -11.720 559 HD22 ASN 68 HD21 ASN 68 -6.588 -4.063 -13.440 560 H VAL 69 H VAL 69 -1.523 -4.522 -9.625 561 HA VAL 69 HA VAL 69 0.018 -3.532 -11.933 562 HB VAL 69 HB VAL 69 1.196 -3.774 -9.175 563 HG11 VAL 69 HG11 VAL 69 2.761 -3.736 -11.036 564 HG12 VAL 69 HG12 VAL 69 2.881 -2.248 -10.096 565 HG13 VAL 69 HG13 VAL 69 2.030 -2.249 -11.640 566 HG21 VAL 69 HG21 VAL 69 0.122 -1.234 -10.394 567 HG22 VAL 69 HG22 VAL 69 0.835 -1.439 -8.794 568 HG23 VAL 69 HG23 VAL 69 -0.724 -2.174 -9.165 569 HA PRO 70 HA PRO 70 1.124 -7.838 -12.264 570 HB2 PRO 70 HB2 PRO 70 3.022 -7.610 -14.177 571 HB3 PRO 70 HB3 PRO 70 1.296 -7.447 -14.529 572 HG2 PRO 70 HG3 PRO 70 3.357 -5.313 -14.125 573 HG3 PRO 70 HG2 PRO 70 2.074 -5.413 -15.345 574 HD2 PRO 70 HD3 PRO 70 1.863 -3.894 -13.103 575 HD3 PRO 70 HD2 PRO 70 0.463 -4.642 -13.896 576 H ARG 71 H ARG 71 3.295 -9.108 -12.412 577 HA ARG 71 HA ARG 71 4.971 -8.135 -10.226 578 HB2 ARG 71 HB3 ARG 71 3.886 -10.559 -10.578 579 HB3 ARG 71 HB2 ARG 71 5.409 -10.822 -11.416 580 HG2 ARG 71 HG3 ARG 71 6.391 -9.745 -9.209 581 HG3 ARG 71 HG2 ARG 71 4.878 -10.357 -8.537 582 HD2 ARG 71 HD3 ARG 71 6.484 -12.174 -10.255 583 HD3 ARG 71 HD2 ARG 71 7.076 -11.837 -8.628 584 HE ARG 71 HE ARG 71 4.305 -12.600 -8.719 585 HH11 ARG 71 HH11 ARG 71 7.591 -13.767 -8.560 586 HH12 ARG 71 HH12 ARG 71 7.152 -15.276 -7.830 587 HH21 ARG 71 HH22 ARG 71 3.727 -14.583 -7.759 588 HH22 ARG 71 HH21 ARG 71 4.959 -15.739 -7.376 589 H LYS 72 H LYS 72 5.366 -6.745 -12.568 590 HA LYS 72 HA LYS 72 8.077 -7.611 -13.297 591 HB2 LYS 72 HB3 LYS 72 6.107 -7.930 -15.056 592 HB3 LYS 72 HB2 LYS 72 6.428 -6.227 -15.357 593 HG2 LYS 72 HG3 LYS 72 8.938 -7.198 -15.425 594 HG3 LYS 72 HG2 LYS 72 8.039 -8.603 -16.002 595 HD2 LYS 72 HD3 LYS 72 6.858 -6.671 -17.454 596 HD3 LYS 72 HD2 LYS 72 8.466 -5.967 -17.267 597 HE2 LYS 72 HE3 LYS 72 9.450 -7.535 -18.565 598 HE3 LYS 72 HE2 LYS 72 8.386 -8.822 -17.997 599 HZ1 LYS 72 HZ1 LYS 72 6.610 -7.725 -19.382 600 HZ2 LYS 72 HZ2 LYS 72 7.857 -8.477 -20.245 601 HZ3 LYS 72 HZ3 LYS 72 7.835 -6.793 -20.083 602 H ASP 73 H ASP 73 5.748 -4.930 -13.278 603 HA ASP 73 HA ASP 73 8.018 -3.082 -12.927 604 HB2 ASP 73 HB3 ASP 73 5.430 -2.797 -14.405 605 HB3 ASP 73 HB2 ASP 73 6.203 -1.364 -13.736 606 H THR 74 H THR 74 6.348 -4.628 -10.922 607 HA THR 74 HA THR 74 4.944 -2.515 -9.512 608 HB THR 74 HB THR 74 3.909 -4.693 -9.514 609 HG1 THR 74 HG1 THR 74 5.023 -4.233 -6.950 610 HG21 THR 74 HG21 THR 74 5.028 -6.533 -8.144 611 HG22 THR 74 HG22 THR 74 6.530 -5.656 -8.439 612 HG23 THR 74 HG23 THR 74 5.590 -6.275 -9.797 613 H HIS 75 H HIS 75 8.082 -3.083 -9.843 614 HA HIS 75 HA HIS 75 8.781 -2.816 -7.016 615 HB2 HIS 75 HB3 HIS 75 9.966 -4.218 -9.114 616 HB3 HIS 75 HB2 HIS 75 11.033 -2.843 -8.850 617 HD1 HIS 75 HD1 HIS 75 11.543 -2.530 -6.081 618 HD2 HIS 75 HD2 HIS 75 10.651 -6.308 -7.562 619 HE1 HIS 75 HE1 HIS 75 12.424 -4.148 -4.369 620 HE2 HIS 75 HE2 HIS 75 11.795 -6.424 -5.245 621 H LEU 76 H LEU 76 8.287 -0.916 -9.769 622 HA LEU 76 HA LEU 76 10.039 1.219 -8.789 623 HB2 LEU 76 HB3 LEU 76 8.830 0.537 -11.410 624 HB3 LEU 76 HB2 LEU 76 9.074 2.238 -11.061 625 HG LEU 76 HG LEU 76 11.272 0.179 -10.909 626 HD11 LEU 76 HD11 LEU 76 10.153 0.600 -13.208 627 HD12 LEU 76 HD12 LEU 76 11.910 0.656 -13.078 628 HD13 LEU 76 HD13 LEU 76 10.982 2.154 -13.132 629 HD21 LEU 76 HD21 LEU 76 11.912 2.013 -9.621 630 HD22 LEU 76 HD22 LEU 76 11.154 3.168 -10.717 631 HD23 LEU 76 HD23 LEU 76 12.634 2.335 -11.197 632 H TYR 77 H TYR 77 7.109 0.245 -8.014 633 HA TYR 77 HA TYR 77 5.944 2.949 -7.986 634 HB2 TYR 77 HB3 TYR 77 4.583 0.250 -7.946 635 HB3 TYR 77 HB2 TYR 77 3.745 1.775 -7.680 636 HD1 TYR 77 HD2 TYR 77 4.249 3.590 -9.597 637 HD2 TYR 77 HD1 TYR 77 4.508 -0.630 -10.072 638 HE1 TYR 77 HE2 TYR 77 3.948 3.850 -12.024 639 HE2 TYR 77 HE1 TYR 77 4.208 -0.382 -12.500 640 HH TYR 77 HH TYR 77 3.079 2.371 -13.941 641 H ILE 78 H ILE 78 6.657 0.071 -6.107 642 HA ILE 78 HA ILE 78 6.634 1.638 -3.674 643 HB ILE 78 HB ILE 78 4.302 0.919 -3.792 644 HG12 ILE 78 HG13 ILE 78 5.761 -0.718 -1.711 645 HG13 ILE 78 HG12 ILE 78 5.546 1.026 -1.601 646 HG21 ILE 78 HG21 ILE 78 3.776 -1.512 -3.619 647 HG22 ILE 78 HG22 ILE 78 5.470 -1.850 -3.975 648 HG23 ILE 78 HG23 ILE 78 4.466 -1.026 -5.167 649 HD11 ILE 78 HD11 ILE 78 3.611 -1.155 -1.181 650 HD12 ILE 78 HD12 ILE 78 3.002 0.300 -1.970 651 HD13 ILE 78 HD13 ILE 78 3.758 0.410 -0.380 652 H ALA 79 H ALA 79 8.104 0.913 -2.230 653 HA ALA 79 HA ALA 79 9.144 -1.809 -2.504 654 HB1 ALA 79 HB1 ALA 79 10.485 0.149 -3.727 655 HB2 ALA 79 HB2 ALA 79 11.284 -1.236 -2.984 656 HB3 ALA 79 HB3 ALA 79 11.185 0.295 -2.116 657 HA PRO 80 HA PRO 80 8.648 -1.635 1.929 658 HB2 PRO 80 HB2 PRO 80 10.677 -3.805 1.872 659 HB3 PRO 80 HB3 PRO 80 9.075 -3.781 2.616 660 HG2 PRO 80 HG3 PRO 80 9.519 -5.153 0.374 661 HG3 PRO 80 HG2 PRO 80 7.997 -4.279 0.625 662 HD2 PRO 80 HD3 PRO 80 10.352 -3.542 -1.061 663 HD3 PRO 80 HD2 PRO 80 8.620 -3.316 -1.379 664 H LYS 81 H LYS 81 9.615 0.177 2.703 665 HA LYS 81 HA LYS 81 12.505 0.453 2.613 666 HB2 LYS 81 HB3 LYS 81 10.308 2.244 2.687 667 HB3 LYS 81 HB2 LYS 81 11.243 2.518 4.152 668 HG2 LYS 81 HG3 LYS 81 12.094 3.994 2.525 669 HG3 LYS 81 HG2 LYS 81 13.280 2.697 2.686 670 HD2 LYS 81 HD3 LYS 81 11.215 2.222 0.656 671 HD3 LYS 81 HD2 LYS 81 12.269 3.598 0.323 672 HE2 LYS 81 HE3 LYS 81 13.730 1.260 1.256 673 HE3 LYS 81 HE2 LYS 81 12.818 0.947 -0.220 674 HZ1 LYS 81 HZ1 LYS 81 13.869 3.012 -1.131 675 HZ2 LYS 81 HZ2 LYS 81 14.935 1.723 -0.866 676 HZ3 LYS 81 HZ3 LYS 81 14.890 3.021 0.218 677 H THR 82 H THR 82 12.960 -1.358 4.009 678 HA THR 82 HA THR 82 12.902 -0.577 6.823 679 HB THR 82 HB THR 82 10.989 -2.025 6.658 680 HG1 THR 82 HG1 THR 82 11.658 -3.681 8.054 681 HG21 THR 82 HG21 THR 82 12.025 -3.204 4.534 682 HG22 THR 82 HG22 THR 82 10.833 -4.000 5.561 683 HG23 THR 82 HG23 THR 82 12.547 -4.372 5.749 684 H LYS 83 H LYS 83 14.199 -2.399 8.091 685 HA LYS 83 HA LYS 83 16.353 -3.015 8.553 686 HB2 LYS 83 HB3 LYS 83 17.209 -4.775 6.948 687 HB3 LYS 83 HB2 LYS 83 15.628 -5.077 7.651 688 HG2 LYS 83 HG3 LYS 83 14.541 -4.381 5.612 689 HG3 LYS 83 HG2 LYS 83 16.095 -3.936 4.905 690 HD2 LYS 83 HD3 LYS 83 15.942 -6.690 5.913 691 HD3 LYS 83 HD2 LYS 83 14.866 -6.337 4.560 692 HE2 LYS 83 HE3 LYS 83 16.930 -7.126 3.660 693 HE3 LYS 83 HE2 LYS 83 16.833 -5.395 3.343 694 HZ1 LYS 83 HZ1 LYS 83 18.388 -6.689 5.518 695 HZ2 LYS 83 HZ2 LYS 83 18.264 -5.019 5.271 696 HZ3 LYS 83 HZ3 LYS 83 19.025 -5.991 4.115 697 H GLU 84 H GLU 84 17.438 -1.043 8.433 698 HA GLU 84 HA GLU 84 19.061 -0.704 6.000 699 HB2 GLU 84 HB3 GLU 84 18.024 1.547 7.729 700 HB3 GLU 84 HB2 GLU 84 18.942 1.700 6.237 701 HG2 GLU 84 HG3 GLU 84 17.150 1.229 4.917 702 HG3 GLU 84 HG2 GLU 84 16.376 0.217 6.136 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -5.081 7.231 -7.678 2 H2 MET 1 H2 MET 1 -4.621 8.202 -6.342 3 H3 MET 1 H3 MET 1 -6.199 7.532 -6.411 4 HA MET 1 HA MET 1 -5.298 5.338 -6.274 5 HB2 MET 1 HB3 MET 1 -3.055 6.391 -7.275 6 HB3 MET 1 HB2 MET 1 -2.629 6.457 -5.570 7 HG2 MET 1 HG3 MET 1 -1.775 4.424 -6.275 8 HG3 MET 1 HG2 MET 1 -3.298 3.989 -5.503 9 HE1 MET 1 HE1 MET 1 -4.474 1.559 -7.874 10 HE2 MET 1 HE2 MET 1 -4.089 2.084 -6.235 11 HE3 MET 1 HE3 MET 1 -2.820 1.436 -7.275 12 H ARG 2 H ARG 2 -5.226 4.379 -4.245 13 HA ARG 2 HA ARG 2 -4.839 6.123 -1.924 14 HB2 ARG 2 HB3 ARG 2 -7.226 4.294 -2.125 15 HB3 ARG 2 HB2 ARG 2 -6.905 5.521 -0.909 16 HG2 ARG 2 HG3 ARG 2 -7.413 7.271 -2.371 17 HG3 ARG 2 HG2 ARG 2 -7.276 6.237 -3.795 18 HD2 ARG 2 HD3 ARG 2 -9.234 4.939 -2.546 19 HD3 ARG 2 HD2 ARG 2 -9.512 6.543 -1.869 20 HE ARG 2 HE ARG 2 -9.239 6.813 -4.632 21 HH11 ARG 2 HH11 ARG 2 -11.436 5.364 -2.339 22 HH12 ARG 2 HH12 ARG 2 -12.819 5.531 -3.368 23 HH21 ARG 2 HH22 ARG 2 -11.058 7.034 -5.986 24 HH22 ARG 2 HH21 ARG 2 -12.604 6.478 -5.439 25 H ILE 3 H ILE 3 -4.238 5.059 -0.027 26 HA ILE 3 HA ILE 3 -2.577 2.872 -0.221 27 HB ILE 3 HB ILE 3 -2.567 4.372 1.695 28 HG12 ILE 3 HG13 ILE 3 -1.873 1.824 1.753 29 HG13 ILE 3 HG12 ILE 3 -1.822 2.808 3.208 30 HG21 ILE 3 HG21 ILE 3 -4.994 4.672 1.885 31 HG22 ILE 3 HG22 ILE 3 -4.247 4.273 3.431 32 HG23 ILE 3 HG23 ILE 3 -5.135 3.040 2.536 33 HD11 ILE 3 HD11 ILE 3 -3.519 1.682 4.190 34 HD12 ILE 3 HD12 ILE 3 -2.932 0.399 3.132 35 HD13 ILE 3 HD13 ILE 3 -4.338 1.353 2.664 36 H ASP 4 H ASP 4 -6.039 2.912 0.078 37 HA ASP 4 HA ASP 4 -6.346 0.235 0.974 38 HB2 ASP 4 HB3 ASP 4 -8.706 0.524 0.062 39 HB3 ASP 4 HB2 ASP 4 -8.205 1.675 1.297 40 H LYS 5 H LYS 5 -6.627 1.722 -2.255 41 HA LYS 5 HA LYS 5 -6.705 -0.914 -3.484 42 HB2 LYS 5 HB3 LYS 5 -7.196 1.879 -4.413 43 HB3 LYS 5 HB2 LYS 5 -6.784 0.655 -5.603 44 HG2 LYS 5 HG3 LYS 5 -8.765 -0.411 -5.399 45 HG3 LYS 5 HG2 LYS 5 -8.907 -0.049 -3.677 46 HD2 LYS 5 HD3 LYS 5 -9.216 2.408 -4.526 47 HD3 LYS 5 HD2 LYS 5 -9.660 1.616 -6.040 48 HE2 LYS 5 HE3 LYS 5 -10.908 0.702 -3.488 49 HE3 LYS 5 HE2 LYS 5 -11.482 2.188 -4.244 50 HZ1 LYS 5 HZ1 LYS 5 -12.414 -0.236 -4.838 51 HZ2 LYS 5 HZ2 LYS 5 -11.209 -0.089 -6.017 52 HZ3 LYS 5 HZ3 LYS 5 -12.441 1.065 -5.919 53 H PHE 6 H PHE 6 -4.280 1.147 -2.493 54 HA PHE 6 HA PHE 6 -2.539 0.875 -4.762 55 HB2 PHE 6 HB3 PHE 6 -2.549 2.790 -3.076 56 HB3 PHE 6 HB2 PHE 6 -1.699 1.697 -1.990 57 HD1 PHE 6 HD2 PHE 6 0.403 0.506 -3.114 58 HD2 PHE 6 HD1 PHE 6 -1.296 4.202 -4.366 59 HE1 PHE 6 HE2 PHE 6 2.535 1.123 -4.170 60 HE2 PHE 6 HE1 PHE 6 0.836 4.826 -5.426 61 HZ PHE 6 HZ PHE 6 2.755 3.286 -5.328 62 H LEU 7 H LEU 7 -1.954 -0.142 -1.387 63 HA LEU 7 HA LEU 7 -0.032 -2.077 -2.238 64 HB2 LEU 7 HB3 LEU 7 0.142 -2.652 0.132 65 HB3 LEU 7 HB2 LEU 7 0.255 -0.924 -0.138 66 HG LEU 7 HG LEU 7 -2.254 -0.865 0.459 67 HD11 LEU 7 HD11 LEU 7 -1.473 -3.633 1.292 68 HD12 LEU 7 HD12 LEU 7 -2.928 -3.085 0.462 69 HD13 LEU 7 HD13 LEU 7 -2.710 -2.740 2.176 70 HD21 LEU 7 HD21 LEU 7 -1.610 -1.042 2.954 71 HD22 LEU 7 HD22 LEU 7 -0.812 0.172 1.955 72 HD23 LEU 7 HD23 LEU 7 0.022 -1.331 2.350 73 H GLN 8 H GLN 8 -3.390 -2.139 -2.015 74 HA GLN 8 HA GLN 8 -3.557 -4.988 -1.465 75 HB2 GLN 8 HB3 GLN 8 -5.699 -2.961 -2.104 76 HB3 GLN 8 HB2 GLN 8 -5.992 -4.628 -1.626 77 HG2 GLN 8 HG3 GLN 8 -4.736 -4.098 0.502 78 HG3 GLN 8 HG2 GLN 8 -4.821 -2.403 0.019 79 HE21 GLN 8 HE22 GLN 8 -5.940 -2.524 2.223 80 HE22 GLN 8 HE21 GLN 8 -7.656 -2.713 2.186 81 H SER 9 H SER 9 -3.393 -2.862 -4.162 82 HA SER 9 HA SER 9 -4.570 -4.767 -6.014 83 HB2 SER 9 HB3 SER 9 -4.113 -3.055 -7.722 84 HB3 SER 9 HB2 SER 9 -4.987 -2.370 -6.352 85 HG SER 9 HG SER 9 -3.178 -1.345 -5.694 86 H VAL 10 H VAL 10 -1.396 -3.401 -5.254 87 HA VAL 10 HA VAL 10 0.121 -4.467 -7.297 88 HB VAL 10 HB VAL 10 2.024 -4.494 -5.656 89 HG11 VAL 10 HG11 VAL 10 2.300 -2.270 -5.918 90 HG12 VAL 10 HG12 VAL 10 0.725 -1.883 -5.224 91 HG13 VAL 10 HG13 VAL 10 0.843 -2.419 -6.900 92 HG21 VAL 10 HG21 VAL 10 1.326 -4.910 -3.545 93 HG22 VAL 10 HG22 VAL 10 -0.241 -4.139 -3.795 94 HG23 VAL 10 HG23 VAL 10 1.188 -3.153 -3.484 95 H GLY 11 H GLY 11 -1.318 -6.092 -4.583 96 HA2 GLY 11 HA3 GLY 11 -1.715 -8.487 -4.852 97 HA3 GLY 11 HA2 GLY 11 -0.098 -8.610 -5.526 98 H LEU 12 H LEU 12 0.113 -6.473 -3.019 99 HA LEU 12 HA LEU 12 1.646 -8.155 -1.399 100 HB2 LEU 12 HB3 LEU 12 0.728 -5.423 -1.354 101 HB3 LEU 12 HB2 LEU 12 0.636 -6.116 0.254 102 HG LEU 12 HG LEU 12 3.154 -6.429 -1.327 103 HD11 LEU 12 HD11 LEU 12 2.749 -4.087 -1.547 104 HD12 LEU 12 HD12 LEU 12 3.959 -4.311 -0.284 105 HD13 LEU 12 HD13 LEU 12 2.287 -3.953 0.150 106 HD21 LEU 12 HD21 LEU 12 2.403 -7.352 1.091 107 HD22 LEU 12 HD22 LEU 12 3.129 -5.812 1.553 108 HD23 LEU 12 HD23 LEU 12 4.074 -6.997 0.651 109 H VAL 13 H VAL 13 -1.716 -7.065 -1.018 110 HA VAL 13 HA VAL 13 -2.121 -9.292 0.872 111 HB VAL 13 HB VAL 13 -4.018 -7.822 1.793 112 HG11 VAL 13 HG11 VAL 13 -1.483 -6.516 2.523 113 HG12 VAL 13 HG12 VAL 13 -1.493 -8.276 2.630 114 HG13 VAL 13 HG13 VAL 13 -2.675 -7.331 3.534 115 HG21 VAL 13 HG21 VAL 13 -4.072 -6.121 0.102 116 HG22 VAL 13 HG22 VAL 13 -2.370 -5.740 0.366 117 HG23 VAL 13 HG23 VAL 13 -3.558 -5.383 1.619 118 H LYS 14 H LYS 14 -4.082 -10.411 0.753 119 HA LYS 14 HA LYS 14 -5.268 -10.463 -1.866 120 HB2 LYS 14 HB3 LYS 14 -5.874 -12.038 0.640 121 HB3 LYS 14 HB2 LYS 14 -6.632 -12.327 -0.920 122 HG2 LYS 14 HG3 LYS 14 -4.514 -12.932 -1.891 123 HG3 LYS 14 HG2 LYS 14 -3.672 -12.509 -0.399 124 HD2 LYS 14 HD3 LYS 14 -3.851 -14.787 -0.158 125 HD3 LYS 14 HD2 LYS 14 -5.324 -14.256 0.656 126 HE2 LYS 14 HE3 LYS 14 -6.669 -15.129 -0.928 127 HE3 LYS 14 HE2 LYS 14 -5.575 -14.696 -2.242 128 HZ1 LYS 14 HZ1 LYS 14 -5.290 -16.918 -2.295 129 HZ2 LYS 14 HZ2 LYS 14 -5.713 -17.142 -0.672 130 HZ3 LYS 14 HZ3 LYS 14 -4.162 -16.602 -1.075 131 H ARG 15 H ARG 15 -7.780 -10.787 -1.887 132 HA ARG 15 HA ARG 15 -8.919 -8.288 -1.164 133 HB2 ARG 15 HB3 ARG 15 -9.806 -10.734 -2.565 134 HB3 ARG 15 HB2 ARG 15 -11.081 -9.798 -1.797 135 HG2 ARG 15 HG3 ARG 15 -10.441 -7.831 -3.050 136 HG3 ARG 15 HG2 ARG 15 -9.084 -8.703 -3.767 137 HD2 ARG 15 HD3 ARG 15 -11.925 -9.637 -4.063 138 HD3 ARG 15 HD2 ARG 15 -11.201 -8.473 -5.171 139 HE ARG 15 HE ARG 15 -10.778 -11.281 -5.140 140 HH11 ARG 15 HH11 ARG 15 -9.173 -8.246 -5.767 141 HH12 ARG 15 HH12 ARG 15 -8.030 -8.934 -6.870 142 HH21 ARG 15 HH22 ARG 15 -9.275 -12.189 -6.592 143 HH22 ARG 15 HH21 ARG 15 -8.089 -11.173 -7.339 144 H ARG 16 H ARG 16 -11.221 -8.361 -0.092 145 HA ARG 16 HA ARG 16 -11.152 -10.081 2.286 146 HB2 ARG 16 HB3 ARG 16 -10.258 -7.660 2.618 147 HB3 ARG 16 HB2 ARG 16 -11.951 -7.197 2.515 148 HG2 ARG 16 HG3 ARG 16 -12.414 -8.809 4.373 149 HG3 ARG 16 HG2 ARG 16 -10.668 -9.008 4.543 150 HD2 ARG 16 HD3 ARG 16 -10.388 -6.700 5.093 151 HD3 ARG 16 HD2 ARG 16 -12.068 -6.345 4.688 152 HE ARG 16 HE ARG 16 -12.661 -7.028 6.781 153 HH11 ARG 16 HH11 ARG 16 -9.509 -8.334 6.052 154 HH12 ARG 16 HH12 ARG 16 -9.273 -8.982 7.639 155 HH21 ARG 16 HH22 ARG 16 -12.353 -7.880 8.871 156 HH22 ARG 16 HH21 ARG 16 -10.887 -8.726 9.240 157 H VAL 17 H VAL 17 -13.209 -10.342 3.343 158 HA VAL 17 HA VAL 17 -15.400 -10.320 1.437 159 HB VAL 17 HB VAL 17 -16.628 -11.550 3.267 160 HG11 VAL 17 HG11 VAL 17 -15.897 -13.084 1.781 161 HG12 VAL 17 HG12 VAL 17 -14.812 -13.529 3.098 162 HG13 VAL 17 HG13 VAL 17 -14.242 -12.476 1.803 163 HG21 VAL 17 HG21 VAL 17 -15.710 -11.997 5.282 164 HG22 VAL 17 HG22 VAL 17 -14.774 -10.541 4.937 165 HG23 VAL 17 HG23 VAL 17 -14.076 -12.132 4.629 166 H LEU 18 H LEU 18 -14.415 -8.669 4.345 167 HA LEU 18 HA LEU 18 -17.000 -7.287 4.485 168 HB2 LEU 18 HB3 LEU 18 -15.038 -8.122 6.438 169 HB3 LEU 18 HB2 LEU 18 -15.366 -6.406 6.587 170 HG LEU 18 HG LEU 18 -17.732 -8.174 6.376 171 HD11 LEU 18 HD11 LEU 18 -16.592 -9.573 7.857 172 HD12 LEU 18 HD12 LEU 18 -17.548 -8.525 8.906 173 HD13 LEU 18 HD13 LEU 18 -15.824 -8.221 8.688 174 HD21 LEU 18 HD21 LEU 18 -16.937 -5.659 7.783 175 HD22 LEU 18 HD22 LEU 18 -18.339 -6.578 8.331 176 HD23 LEU 18 HD23 LEU 18 -18.284 -5.951 6.683 177 H ALA 19 H ALA 19 -16.307 -4.923 5.642 178 HA ALA 19 HA ALA 19 -15.339 -3.439 3.399 179 HB1 ALA 19 HB1 ALA 19 -17.077 -2.836 5.324 180 HB2 ALA 19 HB2 ALA 19 -16.181 -1.602 4.436 181 HB3 ALA 19 HB3 ALA 19 -15.632 -2.113 6.031 182 H THR 20 H THR 20 -13.797 -1.471 4.120 183 HA THR 20 HA THR 20 -11.227 -2.550 4.336 184 HB THR 20 HB THR 20 -10.507 -0.177 4.721 185 HG1 THR 20 HG1 THR 20 -11.922 1.175 5.430 186 HG21 THR 20 HG21 THR 20 -10.521 -0.231 2.502 187 HG22 THR 20 HG22 THR 20 -12.057 0.628 2.618 188 HG23 THR 20 HG23 THR 20 -12.039 -1.127 2.443 189 H ASP 21 H ASP 21 -10.617 -3.694 6.076 190 HA ASP 21 HA ASP 21 -11.287 -2.711 8.750 191 HB2 ASP 21 HB3 ASP 21 -11.509 -5.191 7.862 192 HB3 ASP 21 HB2 ASP 21 -9.803 -5.266 8.294 193 H MET 22 H MET 22 -8.582 -3.209 6.606 194 HA MET 22 HA MET 22 -6.457 -3.110 8.395 195 HB2 MET 22 HB3 MET 22 -6.462 -3.504 5.845 196 HB3 MET 22 HB2 MET 22 -6.364 -1.753 5.714 197 HG2 MET 22 HG3 MET 22 -4.285 -1.739 6.938 198 HG3 MET 22 HG2 MET 22 -4.399 -3.478 7.202 199 HE1 MET 22 HE1 MET 22 -3.765 -5.232 5.688 200 HE2 MET 22 HE2 MET 22 -2.216 -4.449 6.001 201 HE3 MET 22 HE3 MET 22 -2.626 -4.969 4.367 202 H CYS 23 H CYS 23 -8.619 -0.610 7.386 203 HA CYS 23 HA CYS 23 -6.924 1.582 8.127 204 HB2 CYS 23 HB3 CYS 23 -8.855 2.978 7.695 205 HB3 CYS 23 HB2 CYS 23 -8.715 1.776 6.418 206 HG CYS 23 HG CYS 23 -10.690 0.468 7.667 207 H ASN 24 H ASN 24 -8.992 -0.567 9.827 208 HA ASN 24 HA ASN 24 -9.222 1.273 12.096 209 HB2 ASN 24 HB3 ASN 24 -11.100 -0.346 11.043 210 HB3 ASN 24 HB2 ASN 24 -10.419 -1.436 12.247 211 HD21 ASN 24 HD22 ASN 24 -13.050 -0.161 12.104 212 HD22 ASN 24 HD21 ASN 24 -13.228 0.719 13.579 213 H VAL 25 H VAL 25 -8.032 -1.971 11.288 214 HA VAL 25 HA VAL 25 -7.148 -2.776 13.784 215 HB VAL 25 HB VAL 25 -5.529 -4.216 12.622 216 HG11 VAL 25 HG11 VAL 25 -7.135 -5.624 11.898 217 HG12 VAL 25 HG12 VAL 25 -7.862 -4.421 10.834 218 HG13 VAL 25 HG13 VAL 25 -8.216 -4.399 12.562 219 HG21 VAL 25 HG21 VAL 25 -6.132 -2.369 10.363 220 HG22 VAL 25 HG22 VAL 25 -5.759 -4.055 10.010 221 HG23 VAL 25 HG23 VAL 25 -4.593 -3.057 10.877 222 H GLY 26 H GLY 26 -5.679 -0.540 11.524 223 HA2 GLY 26 HA3 GLY 26 -4.263 1.210 12.446 224 HA3 GLY 26 HA2 GLY 26 -3.602 0.012 13.548 225 H ALA 27 H ALA 27 -4.139 -0.899 10.257 226 HA ALA 27 HA ALA 27 -1.258 -1.153 9.880 227 HB1 ALA 27 HB1 ALA 27 -2.344 -2.231 7.642 228 HB2 ALA 27 HB2 ALA 27 -3.647 -2.481 8.803 229 HB3 ALA 27 HB3 ALA 27 -2.038 -3.124 9.130 230 H VAL 28 H VAL 28 -4.002 0.620 8.655 231 HA VAL 28 HA VAL 28 -2.604 1.676 6.370 232 HB VAL 28 HB VAL 28 -5.194 2.631 7.600 233 HG11 VAL 28 HG11 VAL 28 -3.645 3.390 5.219 234 HG12 VAL 28 HG12 VAL 28 -4.822 4.314 6.153 235 HG13 VAL 28 HG13 VAL 28 -5.372 3.147 4.950 236 HG21 VAL 28 HG21 VAL 28 -4.996 0.836 5.209 237 HG22 VAL 28 HG22 VAL 28 -6.375 1.135 6.267 238 HG23 VAL 28 HG23 VAL 28 -5.016 0.168 6.842 239 H TRP 29 H TRP 29 -0.932 2.991 6.764 240 HA TRP 29 HA TRP 29 -1.433 5.415 8.312 241 HB2 TRP 29 HB3 TRP 29 0.617 3.339 8.947 242 HB3 TRP 29 HB2 TRP 29 1.043 5.030 9.183 243 HD1 TRP 29 HD1 TRP 29 -1.934 2.735 10.201 244 HE1 TRP 29 HE1 TRP 29 -2.591 3.333 12.616 245 HE3 TRP 29 HE3 TRP 29 1.414 6.507 11.045 246 HZ2 TRP 29 HZ2 TRP 29 -1.796 5.160 14.615 247 HZ3 TRP 29 HZ3 TRP 29 1.400 7.628 13.235 248 HH2 TRP 29 HH2 TRP 29 -0.173 6.967 14.982 249 H LEU 30 H LEU 30 -0.977 7.053 7.009 250 HA LEU 30 HA LEU 30 1.112 6.702 4.969 251 HB2 LEU 30 HB3 LEU 30 -1.424 7.416 4.546 252 HB3 LEU 30 HB2 LEU 30 -0.764 9.005 4.883 253 HG LEU 30 HG LEU 30 0.997 8.436 3.084 254 HD11 LEU 30 HD11 LEU 30 -0.094 6.906 1.327 255 HD12 LEU 30 HD12 LEU 30 -1.034 6.273 2.677 256 HD13 LEU 30 HD13 LEU 30 0.726 6.160 2.698 257 HD21 LEU 30 HD21 LEU 30 -0.369 10.119 2.404 258 HD22 LEU 30 HD22 LEU 30 -1.843 9.215 2.750 259 HD23 LEU 30 HD23 LEU 30 -0.919 8.868 1.288 260 H ASN 31 H ASN 31 2.897 7.925 4.984 261 HA ASN 31 HA ASN 31 4.489 9.382 5.698 262 HB2 ASN 31 HB3 ASN 31 2.001 11.042 6.070 263 HB3 ASN 31 HB2 ASN 31 3.606 11.679 6.412 264 HD21 ASN 31 HD22 ASN 31 1.893 12.752 4.496 265 HD22 ASN 31 HD21 ASN 31 2.597 12.521 2.936 266 H GLY 32 H GLY 32 3.632 7.425 7.555 267 HA2 GLY 32 HA3 GLY 32 3.959 6.878 9.761 268 HA3 GLY 32 HA2 GLY 32 4.820 8.402 9.917 269 H SER 33 H SER 33 1.496 8.274 8.873 270 HA SER 33 HA SER 33 0.595 9.099 11.542 271 HB2 SER 33 HB3 SER 33 -0.646 10.967 10.663 272 HB3 SER 33 HB2 SER 33 1.020 11.118 10.106 273 HG SER 33 HG SER 33 -1.189 10.126 8.625 274 H CYS 34 H CYS 34 -1.514 8.557 12.054 275 HA CYS 34 HA CYS 34 -2.588 6.270 10.860 276 HB2 CYS 34 HB3 CYS 34 -4.553 6.657 12.276 277 HB3 CYS 34 HB2 CYS 34 -3.064 6.918 13.179 278 HG CYS 34 HG CYS 34 -3.559 9.381 13.329 279 H ALA 35 H ALA 35 -3.995 5.923 9.244 280 HA ALA 35 HA ALA 35 -5.446 8.215 8.116 281 HB1 ALA 35 HB1 ALA 35 -4.902 6.982 5.839 282 HB2 ALA 35 HB2 ALA 35 -3.481 6.462 6.742 283 HB3 ALA 35 HB3 ALA 35 -3.809 8.181 6.529 284 H LYS 36 H LYS 36 -7.145 7.477 6.529 285 HA LYS 36 HA LYS 36 -8.468 5.099 7.624 286 HB2 LYS 36 HB3 LYS 36 -9.440 7.617 7.294 287 HB3 LYS 36 HB2 LYS 36 -9.971 6.863 5.798 288 HG2 LYS 36 HG3 LYS 36 -11.746 6.220 6.987 289 HG3 LYS 36 HG2 LYS 36 -10.670 4.979 7.634 290 HD2 LYS 36 HD3 LYS 36 -10.328 6.129 9.618 291 HD3 LYS 36 HD2 LYS 36 -10.781 7.681 8.912 292 HE2 LYS 36 HE3 LYS 36 -12.876 5.602 8.951 293 HE3 LYS 36 HE2 LYS 36 -12.391 6.245 10.520 294 HZ1 LYS 36 HZ1 LYS 36 -13.268 8.257 10.068 295 HZ2 LYS 36 HZ2 LYS 36 -14.244 7.372 9.006 296 HZ3 LYS 36 HZ3 LYS 36 -12.889 8.197 8.420 297 H ALA 37 H ALA 37 -10.260 4.568 5.592 298 HA ALA 37 HA ALA 37 -8.477 3.371 3.604 299 HB1 ALA 37 HB1 ALA 37 -10.155 2.012 4.945 300 HB2 ALA 37 HB2 ALA 37 -10.153 1.773 3.197 301 HB3 ALA 37 HB3 ALA 37 -11.400 2.767 3.950 302 H SER 38 H SER 38 -9.297 6.218 3.551 303 HA SER 38 HA SER 38 -10.204 6.259 0.785 304 HB2 SER 38 HB3 SER 38 -11.536 8.097 2.765 305 HB3 SER 38 HB2 SER 38 -12.027 7.717 1.114 306 HG SER 38 HG SER 38 -12.628 6.441 3.434 307 H LYS 39 H LYS 39 -7.715 6.830 2.281 308 HA LYS 39 HA LYS 39 -7.437 9.716 1.864 309 HB2 LYS 39 HB3 LYS 39 -6.642 8.386 3.982 310 HB3 LYS 39 HB2 LYS 39 -5.259 7.986 2.973 311 HG2 LYS 39 HG3 LYS 39 -6.185 10.769 3.654 312 HG3 LYS 39 HG2 LYS 39 -4.820 9.924 4.386 313 HD2 LYS 39 HD3 LYS 39 -3.814 9.744 2.102 314 HD3 LYS 39 HD2 LYS 39 -5.110 10.786 1.512 315 HE2 LYS 39 HE3 LYS 39 -4.398 12.549 3.041 316 HE3 LYS 39 HE2 LYS 39 -3.118 11.505 3.660 317 HZ1 LYS 39 HZ1 LYS 39 -2.431 11.420 1.173 318 HZ2 LYS 39 HZ2 LYS 39 -2.001 12.756 2.118 319 HZ3 LYS 39 HZ3 LYS 39 -3.315 12.857 1.058 320 H GLU 40 H GLU 40 -6.925 10.233 -0.163 321 HA GLU 40 HA GLU 40 -5.739 8.546 -2.048 322 HB2 GLU 40 HB3 GLU 40 -6.376 11.422 -1.862 323 HB3 GLU 40 HB2 GLU 40 -5.095 11.013 -2.995 324 HG2 GLU 40 HG3 GLU 40 -6.740 9.257 -3.896 325 HG3 GLU 40 HG2 GLU 40 -7.965 10.172 -3.019 326 H VAL 41 H VAL 41 -3.695 8.005 -2.504 327 HA VAL 41 HA VAL 41 -1.587 8.990 -0.764 328 HB VAL 41 HB VAL 41 -0.186 7.255 -1.844 329 HG11 VAL 41 HG11 VAL 41 -1.718 6.858 0.151 330 HG12 VAL 41 HG12 VAL 41 -1.153 5.434 -0.722 331 HG13 VAL 41 HG13 VAL 41 -2.791 6.035 -0.980 332 HG21 VAL 41 HG21 VAL 41 -2.533 6.037 -3.168 333 HG22 VAL 41 HG22 VAL 41 -0.830 6.009 -3.626 334 HG23 VAL 41 HG23 VAL 41 -1.812 7.435 -3.964 335 H LYS 42 H LYS 42 0.612 9.346 -1.823 336 HA LYS 42 HA LYS 42 0.394 10.685 -4.419 337 HB2 LYS 42 HB3 LYS 42 1.549 11.931 -1.919 338 HB3 LYS 42 HB2 LYS 42 1.735 12.595 -3.536 339 HG2 LYS 42 HG3 LYS 42 -0.913 12.420 -3.496 340 HG3 LYS 42 HG2 LYS 42 -0.632 12.550 -1.759 341 HD2 LYS 42 HD3 LYS 42 -0.951 14.759 -2.602 342 HD3 LYS 42 HD2 LYS 42 0.765 14.578 -2.228 343 HE2 LYS 42 HE3 LYS 42 0.753 13.787 -4.803 344 HE3 LYS 42 HE2 LYS 42 -0.591 14.928 -4.826 345 HZ1 LYS 42 HZ1 LYS 42 1.942 15.646 -5.155 346 HZ2 LYS 42 HZ2 LYS 42 1.820 15.827 -3.477 347 HZ3 LYS 42 HZ3 LYS 42 0.771 16.674 -4.498 348 H ALA 43 H ALA 43 2.426 10.980 -5.501 349 HA ALA 43 HA ALA 43 4.162 8.776 -5.259 350 HB1 ALA 43 HB1 ALA 43 4.546 11.375 -6.741 351 HB2 ALA 43 HB2 ALA 43 3.834 9.895 -7.381 352 HB3 ALA 43 HB3 ALA 43 5.542 9.934 -6.943 353 H GLY 44 H GLY 44 6.028 8.473 -4.186 354 HA2 GLY 44 HA3 GLY 44 7.953 8.985 -2.993 355 HA3 GLY 44 HA2 GLY 44 7.583 10.692 -3.187 356 H ASP 45 H ASP 45 5.326 8.356 -1.871 357 HA ASP 45 HA ASP 45 5.538 9.728 0.726 358 HB2 ASP 45 HB3 ASP 45 3.233 8.673 -0.832 359 HB3 ASP 45 HB2 ASP 45 3.149 8.534 0.922 360 H THR 46 H THR 46 5.068 8.407 2.644 361 HA THR 46 HA THR 46 6.309 5.770 2.373 362 HB THR 46 HB THR 46 5.759 7.414 4.851 363 HG1 THR 46 HG1 THR 46 7.429 8.454 4.129 364 HG21 THR 46 HG21 THR 46 7.643 5.867 5.721 365 HG22 THR 46 HG22 THR 46 7.093 4.782 4.445 366 HG23 THR 46 HG23 THR 46 5.975 5.293 5.709 367 H ILE 47 H ILE 47 5.106 4.003 2.395 368 HA ILE 47 HA ILE 47 2.358 4.165 3.413 369 HB ILE 47 HB ILE 47 3.571 1.983 1.716 370 HG12 ILE 47 HG13 ILE 47 1.965 4.411 0.889 371 HG13 ILE 47 HG12 ILE 47 3.654 4.099 0.503 372 HG21 ILE 47 HG21 ILE 47 0.676 2.543 1.700 373 HG22 ILE 47 HG22 ILE 47 1.324 1.860 3.190 374 HG23 ILE 47 HG23 ILE 47 1.537 1.004 1.663 375 HD11 ILE 47 HD11 ILE 47 3.127 2.810 -1.232 376 HD12 ILE 47 HD12 ILE 47 1.516 3.513 -1.091 377 HD13 ILE 47 HD13 ILE 47 1.869 1.958 -0.337 378 H SER 48 H SER 48 2.441 3.734 5.564 379 HA SER 48 HA SER 48 4.134 1.639 6.608 380 HB2 SER 48 HB3 SER 48 3.966 3.447 8.086 381 HB3 SER 48 HB2 SER 48 2.232 3.621 7.827 382 HG SER 48 HG SER 48 3.519 2.183 9.687 383 H LEU 49 H LEU 49 3.531 -0.355 7.292 384 HA LEU 49 HA LEU 49 0.687 -1.071 7.162 385 HB2 LEU 49 HB3 LEU 49 2.962 -2.322 5.676 386 HB3 LEU 49 HB2 LEU 49 1.616 -3.321 6.188 387 HG LEU 49 HG LEU 49 1.252 -2.651 3.912 388 HD11 LEU 49 HD11 LEU 49 -0.923 -2.376 4.263 389 HD12 LEU 49 HD12 LEU 49 -0.678 -0.774 4.957 390 HD13 LEU 49 HD13 LEU 49 -0.553 -2.206 5.979 391 HD21 LEU 49 HD21 LEU 49 1.756 -0.647 3.065 392 HD22 LEU 49 HD22 LEU 49 2.598 -0.353 4.586 393 HD23 LEU 49 HD23 LEU 49 0.941 0.210 4.373 394 H HIS 50 H HIS 50 0.024 -2.614 8.617 395 HA HIS 50 HA HIS 50 1.975 -3.283 10.697 396 HB2 HIS 50 HB3 HIS 50 -0.208 -2.124 11.259 397 HB3 HIS 50 HB2 HIS 50 -1.022 -3.625 10.830 398 HD1 HIS 50 HD1 HIS 50 0.071 -1.918 13.693 399 HD2 HIS 50 HD2 HIS 50 0.327 -5.875 12.452 400 HE1 HIS 50 HE1 HIS 50 0.466 -3.255 15.787 401 HE2 HIS 50 HE2 HIS 50 0.719 -5.633 14.997 402 H TYR 51 H TYR 51 2.822 -5.246 10.774 403 HA TYR 51 HA TYR 51 1.294 -7.484 9.616 404 HB2 TYR 51 HB3 TYR 51 4.177 -6.744 9.351 405 HB3 TYR 51 HB2 TYR 51 3.737 -8.449 9.335 406 HD1 TYR 51 HD1 TYR 51 2.322 -5.331 7.821 407 HD2 TYR 51 HD2 TYR 51 3.653 -9.325 7.209 408 HE1 TYR 51 HE1 TYR 51 1.744 -5.151 5.439 409 HE2 TYR 51 HE2 TYR 51 3.080 -9.156 4.825 410 HH TYR 51 HH TYR 51 2.277 -6.168 3.333 411 H LEU 52 H LEU 52 2.538 -9.639 10.418 412 HA LEU 52 HA LEU 52 1.997 -9.750 13.221 413 HB2 LEU 52 HB3 LEU 52 3.373 -11.904 11.641 414 HB3 LEU 52 HB2 LEU 52 2.347 -12.077 13.052 415 HG LEU 52 HG LEU 52 0.963 -10.859 10.784 416 HD11 LEU 52 HD11 LEU 52 2.718 -12.689 9.921 417 HD12 LEU 52 HD12 LEU 52 1.122 -12.465 9.203 418 HD13 LEU 52 HD13 LEU 52 1.389 -13.753 10.379 419 HD21 LEU 52 HD21 LEU 52 -0.497 -11.537 12.389 420 HD22 LEU 52 HD22 LEU 52 0.501 -12.905 12.880 421 HD23 LEU 52 HD23 LEU 52 -0.472 -13.004 11.412 422 H LYS 53 H LYS 53 4.881 -9.565 11.248 423 HA LYS 53 HA LYS 53 6.598 -9.951 13.578 424 HB2 LYS 53 HB3 LYS 53 8.450 -9.784 11.890 425 HB3 LYS 53 HB2 LYS 53 7.337 -11.121 11.637 426 HG2 LYS 53 HG3 LYS 53 6.502 -10.250 9.712 427 HG3 LYS 53 HG2 LYS 53 6.766 -8.581 10.222 428 HD2 LYS 53 HD3 LYS 53 8.745 -8.501 9.198 429 HD3 LYS 53 HD2 LYS 53 9.269 -10.006 9.955 430 HE2 LYS 53 HE3 LYS 53 9.316 -10.424 7.641 431 HE3 LYS 53 HE2 LYS 53 7.842 -11.196 8.224 432 HZ1 LYS 53 HZ1 LYS 53 7.328 -10.028 6.237 433 HZ2 LYS 53 HZ2 LYS 53 8.062 -8.608 6.791 434 HZ3 LYS 53 HZ3 LYS 53 6.636 -9.160 7.513 435 H GLY 54 H GLY 54 4.876 -7.448 12.605 436 HA2 GLY 54 HA3 GLY 54 5.446 -5.359 13.830 437 HA3 GLY 54 HA2 GLY 54 7.043 -5.502 13.112 438 H ILE 55 H ILE 55 6.798 -3.400 12.227 439 HA ILE 55 HA ILE 55 4.799 -3.136 10.095 440 HB ILE 55 HB ILE 55 6.592 -0.982 11.213 441 HG12 ILE 55 HG13 ILE 55 4.355 -0.254 12.298 442 HG13 ILE 55 HG12 ILE 55 3.854 -1.921 12.034 443 HG21 ILE 55 HG21 ILE 55 3.988 -0.517 9.832 444 HG22 ILE 55 HG22 ILE 55 5.434 -0.848 8.878 445 HG23 ILE 55 HG23 ILE 55 5.394 0.539 9.967 446 HD11 ILE 55 HD11 ILE 55 6.429 -1.394 13.424 447 HD12 ILE 55 HD12 ILE 55 5.311 -2.747 13.591 448 HD13 ILE 55 HD13 ILE 55 4.913 -1.181 14.299 449 H GLU 56 H GLU 56 5.348 -2.963 7.988 450 HA GLU 56 HA GLU 56 8.084 -3.579 7.266 451 HB2 GLU 56 HB3 GLU 56 5.450 -3.743 5.985 452 HB3 GLU 56 HB2 GLU 56 6.734 -3.233 4.897 453 HG2 GLU 56 HG3 GLU 56 7.109 -5.625 6.643 454 HG3 GLU 56 HG2 GLU 56 6.181 -5.746 5.149 455 H GLU 57 H GLU 57 5.735 -0.997 6.612 456 HA GLU 57 HA GLU 57 5.991 1.184 6.030 457 HB2 GLU 57 HB3 GLU 57 7.778 0.881 7.950 458 HB3 GLU 57 HB2 GLU 57 8.918 1.104 6.630 459 HG2 GLU 57 HG3 GLU 57 7.508 3.207 6.094 460 HG3 GLU 57 HG2 GLU 57 6.921 3.023 7.746 461 H TYR 58 H TYR 58 5.660 1.105 3.861 462 HA TYR 58 HA TYR 58 7.973 0.588 2.129 463 HB2 TYR 58 HB3 TYR 58 5.059 0.769 1.342 464 HB3 TYR 58 HB2 TYR 58 6.393 0.224 0.332 465 HD1 TYR 58 HD2 TYR 58 4.631 -0.603 3.514 466 HD2 TYR 58 HD1 TYR 58 6.868 -2.046 0.196 467 HE1 TYR 58 HE2 TYR 58 4.250 -2.911 4.270 468 HE2 TYR 58 HE1 TYR 58 6.494 -4.359 0.942 469 HH TYR 58 HH TYR 58 5.970 -5.548 3.063 470 H THR 59 H THR 59 7.609 1.916 -0.074 471 HA THR 59 HA THR 59 6.907 4.686 0.523 472 HB THR 59 HB THR 59 9.628 3.833 -0.489 473 HG1 THR 59 HG1 THR 59 8.821 5.127 1.902 474 HG21 THR 59 HG21 THR 59 8.350 6.171 -1.146 475 HG22 THR 59 HG22 THR 59 10.093 5.902 -1.146 476 HG23 THR 59 HG23 THR 59 9.312 6.618 0.264 477 H ILE 60 H ILE 60 5.809 5.554 -1.109 478 HA ILE 60 HA ILE 60 5.471 4.110 -3.564 479 HB ILE 60 HB ILE 60 4.476 6.885 -2.918 480 HG12 ILE 60 HG13 ILE 60 2.952 4.306 -2.550 481 HG13 ILE 60 HG12 ILE 60 3.852 5.065 -1.241 482 HG21 ILE 60 HG21 ILE 60 2.607 5.791 -4.502 483 HG22 ILE 60 HG22 ILE 60 4.037 4.956 -5.108 484 HG23 ILE 60 HG23 ILE 60 3.975 6.720 -5.115 485 HD11 ILE 60 HD11 ILE 60 2.441 7.160 -1.855 486 HD12 ILE 60 HD12 ILE 60 1.731 5.865 -0.891 487 HD13 ILE 60 HD13 ILE 60 1.374 5.979 -2.615 488 H LEU 61 H LEU 61 6.692 4.284 -5.315 489 HA LEU 61 HA LEU 61 8.637 6.426 -5.521 490 HB2 LEU 61 HB3 LEU 61 8.155 3.996 -7.244 491 HB3 LEU 61 HB2 LEU 61 9.462 5.141 -7.478 492 HG LEU 61 HG LEU 61 9.072 3.314 -5.109 493 HD11 LEU 61 HD11 LEU 61 11.068 3.393 -7.359 494 HD12 LEU 61 HD12 LEU 61 9.931 2.104 -6.963 495 HD13 LEU 61 HD13 LEU 61 11.289 2.442 -5.890 496 HD21 LEU 61 HD21 LEU 61 11.115 5.473 -5.607 497 HD22 LEU 61 HD22 LEU 61 11.282 4.216 -4.380 498 HD23 LEU 61 HD23 LEU 61 9.956 5.375 -4.280 499 H GLN 62 H GLN 62 5.515 5.735 -6.714 500 HA GLN 62 HA GLN 62 5.262 8.174 -8.060 501 HB2 GLN 62 HB3 GLN 62 6.721 6.479 -9.607 502 HB3 GLN 62 HB2 GLN 62 5.094 6.111 -10.162 503 HG2 GLN 62 HG3 GLN 62 5.669 8.970 -9.943 504 HG3 GLN 62 HG2 GLN 62 6.664 8.112 -11.117 505 HE21 GLN 62 HE22 GLN 62 4.177 10.002 -11.073 506 HE22 GLN 62 HE21 GLN 62 3.158 9.300 -12.278 507 H ILE 63 H ILE 63 3.198 8.262 -9.381 508 HA ILE 63 HA ILE 63 1.257 6.267 -8.422 509 HB ILE 63 HB ILE 63 0.704 9.226 -8.636 510 HG12 ILE 63 HG13 ILE 63 2.308 8.674 -6.809 511 HG13 ILE 63 HG12 ILE 63 0.778 9.315 -6.220 512 HG21 ILE 63 HG21 ILE 63 -1.132 7.908 -6.957 513 HG22 ILE 63 HG22 ILE 63 -0.977 6.923 -8.412 514 HG23 ILE 63 HG23 ILE 63 -1.428 8.623 -8.542 515 HD11 ILE 63 HD11 ILE 63 1.409 7.517 -4.809 516 HD12 ILE 63 HD12 ILE 63 1.700 6.457 -6.188 517 HD13 ILE 63 HD13 ILE 63 0.057 6.963 -5.796 518 HA PRO 64 HA PRO 64 0.914 6.594 -13.017 519 HB2 PRO 64 HB2 PRO 64 0.359 3.970 -13.405 520 HB3 PRO 64 HB3 PRO 64 2.010 4.584 -13.252 521 HG2 PRO 64 HG3 PRO 64 0.277 3.281 -11.186 522 HG3 PRO 64 HG2 PRO 64 1.989 2.993 -11.547 523 HD2 PRO 64 HD3 PRO 64 1.187 4.537 -9.479 524 HD3 PRO 64 HD2 PRO 64 2.674 4.871 -10.389 525 H ALA 65 H ALA 65 -1.170 5.764 -10.453 526 HA ALA 65 HA ALA 65 -3.429 5.783 -10.209 527 HB1 ALA 65 HB1 ALA 65 -3.597 7.884 -11.184 528 HB2 ALA 65 HB2 ALA 65 -4.721 6.917 -12.137 529 HB3 ALA 65 HB3 ALA 65 -3.121 7.294 -12.776 530 H LEU 66 H LEU 66 -2.602 3.365 -10.769 531 HA LEU 66 HA LEU 66 -4.205 2.363 -13.015 532 HB2 LEU 66 HB3 LEU 66 -2.842 0.473 -13.094 533 HB3 LEU 66 HB2 LEU 66 -1.731 1.789 -12.771 534 HG LEU 66 HG LEU 66 -2.762 0.346 -10.395 535 HD11 LEU 66 HD11 LEU 66 -0.583 -0.918 -12.017 536 HD12 LEU 66 HD12 LEU 66 -2.273 -1.381 -12.226 537 HD13 LEU 66 HD13 LEU 66 -1.490 -1.586 -10.659 538 HD21 LEU 66 HD21 LEU 66 -0.049 1.339 -11.257 539 HD22 LEU 66 HD22 LEU 66 -0.426 0.627 -9.689 540 HD23 LEU 66 HD23 LEU 66 -1.165 2.156 -10.164 541 H LYS 67 H LYS 67 -4.717 -0.183 -12.323 542 HA LYS 67 HA LYS 67 -6.351 0.053 -9.881 543 HB2 LYS 67 HB3 LYS 67 -7.001 -1.017 -12.590 544 HB3 LYS 67 HB2 LYS 67 -7.747 -1.780 -11.191 545 HG2 LYS 67 HG3 LYS 67 -7.865 1.186 -11.607 546 HG3 LYS 67 HG2 LYS 67 -9.027 0.092 -12.362 547 HD2 LYS 67 HD3 LYS 67 -9.705 -0.740 -10.193 548 HD3 LYS 67 HD2 LYS 67 -8.471 0.243 -9.400 549 HE2 LYS 67 HE3 LYS 67 -9.584 2.249 -9.926 550 HE3 LYS 67 HE2 LYS 67 -10.626 1.455 -11.106 551 HZ1 LYS 67 HZ1 LYS 67 -11.505 2.045 -8.740 552 HZ2 LYS 67 HZ2 LYS 67 -10.752 0.593 -8.304 553 HZ3 LYS 67 HZ3 LYS 67 -11.964 0.597 -9.483 554 H ASN 68 H ASN 68 -4.453 -2.085 -11.944 555 HA ASN 68 HA ASN 68 -3.665 -3.652 -9.652 556 HB2 ASN 68 HB3 ASN 68 -5.192 -4.948 -11.923 557 HB3 ASN 68 HB2 ASN 68 -4.369 -5.813 -10.629 558 HD21 ASN 68 HD22 ASN 68 -5.219 -5.759 -8.546 559 HD22 ASN 68 HD21 ASN 68 -6.850 -5.281 -8.237 560 H VAL 69 H VAL 69 -1.550 -3.947 -9.885 561 HA VAL 69 HA VAL 69 -0.409 -3.906 -12.583 562 HB VAL 69 HB VAL 69 0.509 -2.264 -11.030 563 HG11 VAL 69 HG11 VAL 69 1.161 -4.673 -9.351 564 HG12 VAL 69 HG12 VAL 69 0.175 -3.278 -8.914 565 HG13 VAL 69 HG13 VAL 69 1.918 -3.097 -9.119 566 HG21 VAL 69 HG21 VAL 69 2.432 -4.480 -11.726 567 HG22 VAL 69 HG22 VAL 69 2.901 -2.847 -11.255 568 HG23 VAL 69 HG23 VAL 69 1.988 -3.107 -12.741 569 HA PRO 70 HA PRO 70 0.354 -8.284 -12.452 570 HB2 PRO 70 HB2 PRO 70 2.659 -7.692 -14.211 571 HB3 PRO 70 HB3 PRO 70 1.262 -8.732 -14.502 572 HG2 PRO 70 HG3 PRO 70 1.518 -6.375 -15.740 573 HG3 PRO 70 HG2 PRO 70 -0.064 -6.976 -15.213 574 HD2 PRO 70 HD3 PRO 70 1.696 -4.908 -13.954 575 HD3 PRO 70 HD2 PRO 70 -0.070 -4.926 -14.139 576 H ARG 71 H ARG 71 2.920 -9.397 -12.837 577 HA ARG 71 HA ARG 71 4.242 -8.580 -10.337 578 HB2 ARG 71 HB3 ARG 71 3.217 -11.019 -10.909 579 HB3 ARG 71 HB2 ARG 71 4.862 -11.231 -11.491 580 HG2 ARG 71 HG3 ARG 71 5.373 -10.124 -9.104 581 HG3 ARG 71 HG2 ARG 71 3.843 -10.927 -8.742 582 HD2 ARG 71 HD3 ARG 71 5.391 -12.756 -10.228 583 HD3 ARG 71 HD2 ARG 71 6.462 -12.056 -9.014 584 HE ARG 71 HE ARG 71 4.373 -13.917 -8.559 585 HH11 ARG 71 HH11 ARG 71 5.935 -11.135 -7.143 586 HH12 ARG 71 HH12 ARG 71 5.538 -11.583 -5.519 587 HH21 ARG 71 HH22 ARG 71 3.849 -14.507 -6.423 588 HH22 ARG 71 HH21 ARG 71 4.354 -13.497 -5.109 589 H LYS 72 H LYS 72 4.992 -7.006 -12.294 590 HA LYS 72 HA LYS 72 7.733 -7.833 -12.819 591 HB2 LYS 72 HB3 LYS 72 6.269 -8.470 -14.809 592 HB3 LYS 72 HB2 LYS 72 6.062 -6.745 -15.078 593 HG2 LYS 72 HG3 LYS 72 8.476 -6.492 -15.342 594 HG3 LYS 72 HG2 LYS 72 8.685 -8.222 -15.068 595 HD2 LYS 72 HD3 LYS 72 6.928 -8.368 -17.049 596 HD3 LYS 72 HD2 LYS 72 7.603 -6.784 -17.434 597 HE2 LYS 72 HE3 LYS 72 9.666 -7.630 -17.938 598 HE3 LYS 72 HE2 LYS 72 9.493 -8.996 -16.835 599 HZ1 LYS 72 HZ1 LYS 72 9.252 -10.072 -18.798 600 HZ2 LYS 72 HZ2 LYS 72 8.627 -8.725 -19.610 601 HZ3 LYS 72 HZ3 LYS 72 7.634 -9.628 -18.580 602 H ASP 73 H ASP 73 5.311 -5.278 -13.332 603 HA ASP 73 HA ASP 73 7.399 -3.256 -12.985 604 HB2 ASP 73 HB3 ASP 73 4.546 -3.080 -13.960 605 HB3 ASP 73 HB2 ASP 73 5.557 -1.667 -13.676 606 H THR 74 H THR 74 5.013 -4.848 -11.193 607 HA THR 74 HA THR 74 4.034 -2.853 -9.510 608 HB THR 74 HB THR 74 3.087 -5.087 -9.536 609 HG1 THR 74 HG1 THR 74 4.219 -4.605 -6.985 610 HG21 THR 74 HG21 THR 74 4.302 -6.880 -8.194 611 HG22 THR 74 HG22 THR 74 5.761 -5.935 -8.493 612 HG23 THR 74 HG23 THR 74 4.840 -6.587 -9.849 613 H HIS 75 H HIS 75 7.187 -4.211 -9.708 614 HA HIS 75 HA HIS 75 7.908 -3.326 -7.024 615 HB2 HIS 75 HB3 HIS 75 8.692 -5.519 -8.260 616 HB3 HIS 75 HB2 HIS 75 9.897 -4.442 -8.957 617 HD1 HIS 75 HD1 HIS 75 9.278 -6.513 -6.068 618 HD2 HIS 75 HD2 HIS 75 11.466 -3.068 -6.849 619 HE1 HIS 75 HE1 HIS 75 10.918 -6.313 -4.172 620 HE2 HIS 75 HE2 HIS 75 12.169 -4.172 -4.619 621 H LEU 76 H LEU 76 7.212 -1.452 -9.258 622 HA LEU 76 HA LEU 76 9.700 0.119 -9.187 623 HB2 LEU 76 HB3 LEU 76 7.953 -0.580 -11.474 624 HB3 LEU 76 HB2 LEU 76 8.554 1.066 -11.426 625 HG LEU 76 HG LEU 76 10.365 -1.336 -11.250 626 HD11 LEU 76 HD11 LEU 76 10.853 -0.513 -13.698 627 HD12 LEU 76 HD12 LEU 76 9.180 0.038 -13.608 628 HD13 LEU 76 HD13 LEU 76 9.562 -1.668 -13.366 629 HD21 LEU 76 HD21 LEU 76 12.119 0.187 -11.682 630 HD22 LEU 76 HD22 LEU 76 11.131 0.924 -10.421 631 HD23 LEU 76 HD23 LEU 76 10.995 1.483 -12.087 632 H TYR 77 H TYR 77 6.635 -0.028 -8.060 633 HA TYR 77 HA TYR 77 6.312 2.899 -8.103 634 HB2 TYR 77 HB3 TYR 77 4.183 0.767 -7.844 635 HB3 TYR 77 HB2 TYR 77 3.894 2.501 -7.749 636 HD1 TYR 77 HD2 TYR 77 4.973 3.821 -9.859 637 HD2 TYR 77 HD1 TYR 77 3.688 -0.235 -9.853 638 HE1 TYR 77 HE2 TYR 77 4.696 3.911 -12.301 639 HE2 TYR 77 HE1 TYR 77 3.409 -0.157 -12.296 640 HH TYR 77 HH TYR 77 4.598 2.437 -14.199 641 H ILE 78 H ILE 78 6.707 0.099 -6.139 642 HA ILE 78 HA ILE 78 6.848 1.754 -3.771 643 HB ILE 78 HB ILE 78 4.476 1.157 -3.801 644 HG12 ILE 78 HG13 ILE 78 5.950 -0.421 -1.682 645 HG13 ILE 78 HG12 ILE 78 5.742 1.327 -1.648 646 HG21 ILE 78 HG21 ILE 78 3.769 -1.176 -3.580 647 HG22 ILE 78 HG22 ILE 78 5.443 -1.698 -3.767 648 HG23 ILE 78 HG23 ILE 78 4.615 -0.892 -5.100 649 HD11 ILE 78 HD11 ILE 78 3.178 0.440 -1.973 650 HD12 ILE 78 HD12 ILE 78 3.923 0.899 -0.442 651 HD13 ILE 78 HD13 ILE 78 3.886 -0.795 -0.932 652 H ALA 79 H ALA 79 8.027 0.815 -2.084 653 HA ALA 79 HA ALA 79 9.024 -1.898 -2.396 654 HB1 ALA 79 HB1 ALA 79 11.348 -1.300 -2.403 655 HB2 ALA 79 HB2 ALA 79 10.955 0.414 -2.269 656 HB3 ALA 79 HB3 ALA 79 10.552 -0.470 -3.741 657 HA PRO 80 HA PRO 80 8.852 -1.735 2.015 658 HB2 PRO 80 HB2 PRO 80 10.593 -3.717 2.654 659 HB3 PRO 80 HB3 PRO 80 8.988 -4.031 1.983 660 HG2 PRO 80 HG3 PRO 80 11.643 -3.982 0.600 661 HG3 PRO 80 HG2 PRO 80 10.307 -5.135 0.419 662 HD2 PRO 80 HD3 PRO 80 10.749 -3.126 -1.344 663 HD3 PRO 80 HD2 PRO 80 9.122 -3.735 -0.977 664 H LYS 81 H LYS 81 9.708 0.032 2.948 665 HA LYS 81 HA LYS 81 12.308 1.001 2.592 666 HB2 LYS 81 HB3 LYS 81 10.199 2.156 3.571 667 HB3 LYS 81 HB2 LYS 81 10.745 1.499 5.109 668 HG2 LYS 81 HG3 LYS 81 13.009 2.683 4.041 669 HG3 LYS 81 HG2 LYS 81 11.700 3.792 3.625 670 HD2 LYS 81 HD3 LYS 81 10.981 3.663 6.039 671 HD3 LYS 81 HD2 LYS 81 12.489 2.802 6.361 672 HE2 LYS 81 HE3 LYS 81 13.378 4.967 4.966 673 HE3 LYS 81 HE2 LYS 81 12.009 5.651 5.844 674 HZ1 LYS 81 HZ1 LYS 81 13.605 5.909 7.406 675 HZ2 LYS 81 HZ2 LYS 81 14.536 4.606 6.860 676 HZ3 LYS 81 HZ3 LYS 81 13.161 4.327 7.805 677 H THR 82 H THR 82 14.016 -0.280 2.995 678 HA THR 82 HA THR 82 14.178 -1.560 5.645 679 HB THR 82 HB THR 82 16.052 -2.906 4.359 680 HG1 THR 82 HG1 THR 82 15.853 -1.739 2.419 681 HG21 THR 82 HG21 THR 82 13.183 -3.345 4.620 682 HG22 THR 82 HG22 THR 82 14.537 -4.425 4.951 683 HG23 THR 82 HG23 THR 82 13.932 -4.248 3.304 684 H LYS 83 H LYS 83 16.702 -2.028 6.062 685 HA LYS 83 HA LYS 83 18.527 -1.003 6.988 686 HB2 LYS 83 HB3 LYS 83 19.948 0.166 5.276 687 HB3 LYS 83 HB2 LYS 83 19.429 -1.454 4.833 688 HG2 LYS 83 HG3 LYS 83 17.749 -0.569 3.359 689 HG3 LYS 83 HG2 LYS 83 18.099 1.077 3.890 690 HD2 LYS 83 HD3 LYS 83 20.536 0.443 3.100 691 HD3 LYS 83 HD2 LYS 83 19.662 -0.723 2.104 692 HE2 LYS 83 HE3 LYS 83 18.294 1.111 1.198 693 HE3 LYS 83 HE2 LYS 83 19.221 2.261 2.161 694 HZ1 LYS 83 HZ1 LYS 83 20.423 0.473 0.121 695 HZ2 LYS 83 HZ2 LYS 83 21.179 1.751 0.933 696 HZ3 LYS 83 HZ3 LYS 83 19.952 2.068 -0.187 697 H GLU 84 H GLU 84 17.033 0.315 8.340 698 HA GLU 84 HA GLU 84 16.314 2.945 7.720 699 HB2 GLU 84 HB3 GLU 84 16.659 1.395 10.244 700 HB3 GLU 84 HB2 GLU 84 16.505 3.142 10.362 701 HG2 GLU 84 HG3 GLU 84 14.312 2.955 10.212 702 HG3 GLU 84 HG2 GLU 84 14.483 2.241 8.609 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -4.743 7.912 -7.697 2 H2 MET 1 H2 MET 1 -4.578 8.721 -6.195 3 H3 MET 1 H3 MET 1 -6.103 8.089 -6.666 4 HA MET 1 HA MET 1 -5.438 5.924 -6.397 5 HB2 MET 1 HB3 MET 1 -3.199 6.448 -7.517 6 HB3 MET 1 HB2 MET 1 -2.617 6.878 -5.914 7 HG2 MET 1 HG3 MET 1 -2.297 4.757 -5.367 8 HG3 MET 1 HG2 MET 1 -3.917 4.304 -5.893 9 HE1 MET 1 HE1 MET 1 -3.123 1.950 -8.585 10 HE2 MET 1 HE2 MET 1 -4.386 2.813 -7.708 11 HE3 MET 1 HE3 MET 1 -3.173 1.888 -6.824 12 H ARG 2 H ARG 2 -5.403 4.875 -4.398 13 HA ARG 2 HA ARG 2 -4.805 6.512 -2.039 14 HB2 ARG 2 HB3 ARG 2 -7.336 4.889 -2.328 15 HB3 ARG 2 HB2 ARG 2 -6.884 5.903 -0.966 16 HG2 ARG 2 HG3 ARG 2 -8.003 7.561 -1.911 17 HG3 ARG 2 HG2 ARG 2 -6.799 7.580 -3.200 18 HD2 ARG 2 HD3 ARG 2 -9.094 7.390 -4.065 19 HD3 ARG 2 HD2 ARG 2 -8.101 5.996 -4.486 20 HE ARG 2 HE ARG 2 -9.581 5.577 -2.083 21 HH11 ARG 2 HH11 ARG 2 -9.815 5.543 -5.564 22 HH12 ARG 2 HH12 ARG 2 -11.122 4.407 -5.590 23 HH21 ARG 2 HH22 ARG 2 -11.299 4.081 -2.114 24 HH22 ARG 2 HH21 ARG 2 -11.965 3.577 -3.632 25 H ILE 3 H ILE 3 -4.395 5.304 -0.115 26 HA ILE 3 HA ILE 3 -2.783 3.091 -0.386 27 HB ILE 3 HB ILE 3 -2.854 4.459 1.637 28 HG12 ILE 3 HG13 ILE 3 -2.043 2.008 1.530 29 HG13 ILE 3 HG12 ILE 3 -2.257 2.749 3.106 30 HG21 ILE 3 HG21 ILE 3 -5.628 3.694 1.630 31 HG22 ILE 3 HG22 ILE 3 -4.812 4.962 2.542 32 HG23 ILE 3 HG23 ILE 3 -4.878 3.320 3.179 33 HD11 ILE 3 HD11 ILE 3 -3.370 0.357 2.125 34 HD12 ILE 3 HD12 ILE 3 -4.698 1.492 2.360 35 HD13 ILE 3 HD13 ILE 3 -3.616 1.112 3.698 36 H ASP 4 H ASP 4 -6.258 3.213 -0.191 37 HA ASP 4 HA ASP 4 -6.768 0.559 0.548 38 HB2 ASP 4 HB3 ASP 4 -8.963 0.951 -0.760 39 HB3 ASP 4 HB2 ASP 4 -8.633 1.967 0.639 40 H LYS 5 H LYS 5 -6.818 1.962 -2.739 41 HA LYS 5 HA LYS 5 -6.656 -0.711 -3.873 42 HB2 LYS 5 HB3 LYS 5 -7.410 1.971 -4.845 43 HB3 LYS 5 HB2 LYS 5 -6.605 0.942 -6.022 44 HG2 LYS 5 HG3 LYS 5 -8.708 -0.430 -4.546 45 HG3 LYS 5 HG2 LYS 5 -9.286 0.957 -5.470 46 HD2 LYS 5 HD3 LYS 5 -9.012 -0.104 -7.419 47 HD3 LYS 5 HD2 LYS 5 -7.403 -0.674 -6.971 48 HE2 LYS 5 HE3 LYS 5 -8.167 -2.678 -6.279 49 HE3 LYS 5 HE2 LYS 5 -9.629 -1.990 -5.572 50 HZ1 LYS 5 HZ1 LYS 5 -9.391 -2.053 -8.493 51 HZ2 LYS 5 HZ2 LYS 5 -10.771 -2.178 -7.520 52 HZ3 LYS 5 HZ3 LYS 5 -9.731 -3.502 -7.688 53 H PHE 6 H PHE 6 -4.446 1.517 -2.788 54 HA PHE 6 HA PHE 6 -2.526 1.393 -4.891 55 HB2 PHE 6 HB3 PHE 6 -2.605 3.236 -3.251 56 HB3 PHE 6 HB2 PHE 6 -2.123 2.114 -1.983 57 HD1 PHE 6 HD1 PHE 6 -0.980 3.207 -5.364 58 HD2 PHE 6 HD2 PHE 6 0.093 2.064 -1.408 59 HE1 PHE 6 HE1 PHE 6 1.385 3.646 -5.883 60 HE2 PHE 6 HE2 PHE 6 2.458 2.502 -1.919 61 HZ PHE 6 HZ PHE 6 3.108 3.294 -4.159 62 H LEU 7 H LEU 7 -2.316 0.058 -1.576 63 HA LEU 7 HA LEU 7 -0.291 -1.804 -2.478 64 HB2 LEU 7 HB3 LEU 7 -0.039 -2.366 -0.130 65 HB3 LEU 7 HB2 LEU 7 0.028 -0.634 -0.381 66 HG LEU 7 HG LEU 7 -2.466 -0.645 0.285 67 HD11 LEU 7 HD11 LEU 7 -1.598 -3.407 1.022 68 HD12 LEU 7 HD12 LEU 7 -3.118 -2.857 0.316 69 HD13 LEU 7 HD13 LEU 7 -2.780 -2.560 2.021 70 HD21 LEU 7 HD21 LEU 7 -0.189 -1.152 2.183 71 HD22 LEU 7 HD22 LEU 7 -1.806 -0.710 2.728 72 HD23 LEU 7 HD23 LEU 7 -0.889 0.393 1.703 73 H GLN 8 H GLN 8 -3.667 -1.866 -2.129 74 HA GLN 8 HA GLN 8 -3.795 -4.709 -1.554 75 HB2 GLN 8 HB3 GLN 8 -6.015 -2.780 -2.233 76 HB3 GLN 8 HB2 GLN 8 -6.218 -4.419 -1.631 77 HG2 GLN 8 HG3 GLN 8 -5.022 -3.744 0.438 78 HG3 GLN 8 HG2 GLN 8 -5.009 -2.089 -0.164 79 HE21 GLN 8 HE22 GLN 8 -6.268 -3.297 2.216 80 HE22 GLN 8 HE21 GLN 8 -7.942 -2.883 2.112 81 H SER 9 H SER 9 -3.831 -2.613 -4.303 82 HA SER 9 HA SER 9 -4.968 -4.611 -6.067 83 HB2 SER 9 HB3 SER 9 -4.896 -2.966 -7.764 84 HB3 SER 9 HB2 SER 9 -5.297 -2.081 -6.293 85 HG SER 9 HG SER 9 -3.513 -1.003 -6.502 86 H VAL 10 H VAL 10 -1.824 -3.339 -5.207 87 HA VAL 10 HA VAL 10 -0.351 -4.426 -7.352 88 HB VAL 10 HB VAL 10 1.625 -4.183 -5.882 89 HG11 VAL 10 HG11 VAL 10 0.987 -1.640 -5.296 90 HG12 VAL 10 HG12 VAL 10 -0.311 -2.025 -6.426 91 HG13 VAL 10 HG13 VAL 10 1.373 -2.196 -6.925 92 HG21 VAL 10 HG21 VAL 10 1.074 -4.655 -3.719 93 HG22 VAL 10 HG22 VAL 10 -0.494 -3.857 -3.826 94 HG23 VAL 10 HG23 VAL 10 0.975 -2.896 -3.662 95 H GLY 11 H GLY 11 -1.567 -5.797 -4.386 96 HA2 GLY 11 HA3 GLY 11 -1.928 -8.192 -4.308 97 HA3 GLY 11 HA2 GLY 11 -0.430 -8.394 -5.202 98 H LEU 12 H LEU 12 -1.142 -6.420 -2.338 99 HA LEU 12 HA LEU 12 0.962 -7.911 -0.914 100 HB2 LEU 12 HB3 LEU 12 0.411 -5.062 -1.222 101 HB3 LEU 12 HB2 LEU 12 0.615 -5.535 0.452 102 HG LEU 12 HG LEU 12 2.659 -6.500 -1.469 103 HD11 LEU 12 HD11 LEU 12 3.592 -4.522 -1.978 104 HD12 LEU 12 HD12 LEU 12 3.175 -3.806 -0.421 105 HD13 LEU 12 HD13 LEU 12 1.967 -3.893 -1.704 106 HD21 LEU 12 HD21 LEU 12 3.121 -7.163 0.690 107 HD22 LEU 12 HD22 LEU 12 2.491 -5.675 1.395 108 HD23 LEU 12 HD23 LEU 12 4.052 -5.669 0.574 109 H VAL 13 H VAL 13 -2.208 -6.387 -0.630 110 HA VAL 13 HA VAL 13 -2.649 -6.984 2.091 111 HB VAL 13 HB VAL 13 -3.982 -5.338 0.816 112 HG11 VAL 13 HG11 VAL 13 -4.224 -6.619 -1.259 113 HG12 VAL 13 HG12 VAL 13 -5.785 -6.079 -0.641 114 HG13 VAL 13 HG13 VAL 13 -5.286 -7.756 -0.428 115 HG21 VAL 13 HG21 VAL 13 -4.854 -6.109 2.913 116 HG22 VAL 13 HG22 VAL 13 -5.519 -7.556 2.158 117 HG23 VAL 13 HG23 VAL 13 -6.191 -5.972 1.771 118 H LYS 14 H LYS 14 -3.889 -8.609 3.071 119 HA LYS 14 HA LYS 14 -3.807 -11.161 1.652 120 HB2 LYS 14 HB3 LYS 14 -3.047 -10.522 4.174 121 HB3 LYS 14 HB2 LYS 14 -4.688 -11.077 4.474 122 HG2 LYS 14 HG3 LYS 14 -3.671 -13.014 2.805 123 HG3 LYS 14 HG2 LYS 14 -2.293 -12.589 3.821 124 HD2 LYS 14 HD3 LYS 14 -3.668 -12.953 5.821 125 HD3 LYS 14 HD2 LYS 14 -5.033 -13.397 4.795 126 HE2 LYS 14 HE3 LYS 14 -2.414 -14.847 5.119 127 HE3 LYS 14 HE2 LYS 14 -4.025 -15.417 5.556 128 HZ1 LYS 14 HZ1 LYS 14 -4.437 -15.033 3.009 129 HZ2 LYS 14 HZ2 LYS 14 -3.741 -16.469 3.573 130 HZ3 LYS 14 HZ3 LYS 14 -2.762 -15.254 2.919 131 H ARG 15 H ARG 15 -5.768 -12.551 3.057 132 HA ARG 15 HA ARG 15 -7.980 -13.073 2.986 133 HB2 ARG 15 HB3 ARG 15 -7.874 -10.626 4.144 134 HB3 ARG 15 HB2 ARG 15 -8.893 -10.271 2.755 135 HG2 ARG 15 HG3 ARG 15 -10.593 -10.974 3.998 136 HG3 ARG 15 HG2 ARG 15 -9.968 -12.605 3.747 137 HD2 ARG 15 HD3 ARG 15 -9.427 -10.763 6.068 138 HD3 ARG 15 HD2 ARG 15 -10.298 -12.296 6.093 139 HE ARG 15 HE ARG 15 -7.585 -12.536 5.184 140 HH11 ARG 15 HH11 ARG 15 -9.653 -12.437 7.993 141 HH12 ARG 15 HH12 ARG 15 -8.544 -13.310 8.995 142 HH21 ARG 15 HH22 ARG 15 -6.125 -13.685 6.500 143 HH22 ARG 15 HH21 ARG 15 -6.541 -14.019 8.148 144 H ARG 16 H ARG 16 -9.901 -13.061 1.602 145 HA ARG 16 HA ARG 16 -9.201 -12.305 -1.155 146 HB2 ARG 16 HB3 ARG 16 -9.522 -14.742 -0.660 147 HB3 ARG 16 HB2 ARG 16 -11.198 -14.390 -0.262 148 HG2 ARG 16 HG3 ARG 16 -11.072 -13.281 -2.701 149 HG3 ARG 16 HG2 ARG 16 -9.864 -14.555 -2.883 150 HD2 ARG 16 HD3 ARG 16 -11.831 -15.939 -1.676 151 HD3 ARG 16 HD2 ARG 16 -12.790 -14.741 -2.542 152 HE ARG 16 HE ARG 16 -10.801 -16.010 -4.177 153 HH11 ARG 16 HH11 ARG 16 -14.044 -16.273 -2.913 154 HH12 ARG 16 HH12 ARG 16 -14.592 -17.307 -4.190 155 HH21 ARG 16 HH22 ARG 16 -11.519 -17.370 -5.858 156 HH22 ARG 16 HH21 ARG 16 -13.159 -17.929 -5.861 157 H VAL 17 H VAL 17 -10.054 -10.159 -0.070 158 HA VAL 17 HA VAL 17 -12.761 -9.813 -1.089 159 HB VAL 17 HB VAL 17 -13.434 -8.498 0.922 160 HG11 VAL 17 HG11 VAL 17 -14.358 -10.319 1.943 161 HG12 VAL 17 HG12 VAL 17 -12.854 -11.239 1.910 162 HG13 VAL 17 HG13 VAL 17 -13.815 -11.069 0.441 163 HG21 VAL 17 HG21 VAL 17 -12.014 -9.431 3.005 164 HG22 VAL 17 HG22 VAL 17 -11.666 -7.901 2.199 165 HG23 VAL 17 HG23 VAL 17 -10.742 -9.346 1.787 166 H LEU 18 H LEU 18 -13.307 -7.608 -1.527 167 HA LEU 18 HA LEU 18 -10.970 -6.013 -2.182 168 HB2 LEU 18 HB3 LEU 18 -13.093 -6.477 -3.646 169 HB3 LEU 18 HB2 LEU 18 -13.781 -5.152 -2.726 170 HG LEU 18 HG LEU 18 -11.330 -4.157 -3.566 171 HD11 LEU 18 HD11 LEU 18 -10.808 -4.854 -5.639 172 HD12 LEU 18 HD12 LEU 18 -12.492 -5.109 -6.094 173 HD13 LEU 18 HD13 LEU 18 -11.643 -6.325 -5.139 174 HD21 LEU 18 HD21 LEU 18 -12.954 -3.056 -5.347 175 HD22 LEU 18 HD22 LEU 18 -13.030 -2.645 -3.634 176 HD23 LEU 18 HD23 LEU 18 -14.178 -3.797 -4.316 177 H ALA 19 H ALA 19 -13.592 -6.027 0.097 178 HA ALA 19 HA ALA 19 -13.706 -3.363 0.859 179 HB1 ALA 19 HB1 ALA 19 -14.983 -4.069 2.591 180 HB2 ALA 19 HB2 ALA 19 -13.873 -5.370 3.024 181 HB3 ALA 19 HB3 ALA 19 -14.979 -5.570 1.664 182 H THR 20 H THR 20 -12.515 -2.047 2.143 183 HA THR 20 HA THR 20 -9.820 -2.891 2.762 184 HB THR 20 HB THR 20 -10.985 -0.215 3.474 185 HG1 THR 20 HG1 THR 20 -11.430 0.039 1.448 186 HG21 THR 20 HG21 THR 20 -8.802 0.631 3.019 187 HG22 THR 20 HG22 THR 20 -8.268 -0.936 2.412 188 HG23 THR 20 HG23 THR 20 -8.652 -0.737 4.122 189 H ASP 21 H ASP 21 -9.460 -3.989 4.570 190 HA ASP 21 HA ASP 21 -10.987 -3.281 6.983 191 HB2 ASP 21 HB3 ASP 21 -10.283 -5.801 5.803 192 HB3 ASP 21 HB2 ASP 21 -9.556 -5.691 7.404 193 H MET 22 H MET 22 -7.803 -3.553 5.613 194 HA MET 22 HA MET 22 -6.195 -3.609 7.860 195 HB2 MET 22 HB3 MET 22 -5.740 -2.104 5.277 196 HB3 MET 22 HB2 MET 22 -4.499 -2.444 6.475 197 HG2 MET 22 HG3 MET 22 -5.997 -4.780 5.508 198 HG3 MET 22 HG2 MET 22 -4.983 -3.973 4.315 199 HE1 MET 22 HE1 MET 22 -3.232 -7.268 5.667 200 HE2 MET 22 HE2 MET 22 -3.090 -6.319 4.187 201 HE3 MET 22 HE3 MET 22 -4.684 -6.738 4.816 202 H CYS 23 H CYS 23 -8.087 -0.986 6.568 203 HA CYS 23 HA CYS 23 -6.822 1.149 7.904 204 HB2 CYS 23 HB3 CYS 23 -8.899 2.394 7.473 205 HB3 CYS 23 HB2 CYS 23 -8.364 1.515 6.045 206 HG CYS 23 HG CYS 23 -11.021 1.315 6.651 207 H ASN 24 H ASN 24 -8.897 -1.351 9.027 208 HA ASN 24 HA ASN 24 -9.617 0.120 11.443 209 HB2 ASN 24 HB3 ASN 24 -11.225 -1.401 10.124 210 HB3 ASN 24 HB2 ASN 24 -10.344 -2.742 10.850 211 HD21 ASN 24 HD22 ASN 24 -10.126 -2.610 13.263 212 HD22 ASN 24 HD21 ASN 24 -11.513 -2.083 14.146 213 H VAL 25 H VAL 25 -7.985 -2.915 10.544 214 HA VAL 25 HA VAL 25 -7.178 -3.667 13.109 215 HB VAL 25 HB VAL 25 -5.530 -5.095 12.052 216 HG11 VAL 25 HG11 VAL 25 -7.047 -6.496 11.147 217 HG12 VAL 25 HG12 VAL 25 -7.660 -5.281 10.026 218 HG13 VAL 25 HG13 VAL 25 -8.195 -5.280 11.707 219 HG21 VAL 25 HG21 VAL 25 -5.511 -4.894 9.420 220 HG22 VAL 25 HG22 VAL 25 -4.410 -3.946 10.420 221 HG23 VAL 25 HG23 VAL 25 -5.877 -3.207 9.780 222 H GLY 26 H GLY 26 -5.842 -1.334 10.886 223 HA2 GLY 26 HA3 GLY 26 -4.552 0.498 11.814 224 HA3 GLY 26 HA2 GLY 26 -3.825 -0.650 12.927 225 H ALA 27 H ALA 27 -4.230 -1.672 9.663 226 HA ALA 27 HA ALA 27 -1.326 -1.573 9.301 227 HB1 ALA 27 HB1 ALA 27 -2.031 -3.744 8.926 228 HB2 ALA 27 HB2 ALA 27 -1.960 -3.085 7.291 229 HB3 ALA 27 HB3 ALA 27 -3.513 -3.233 8.116 230 H VAL 28 H VAL 28 -2.985 0.806 8.985 231 HA VAL 28 HA VAL 28 -2.279 1.422 6.201 232 HB VAL 28 HB VAL 28 -4.830 2.352 7.528 233 HG11 VAL 28 HG11 VAL 28 -3.662 2.778 4.789 234 HG12 VAL 28 HG12 VAL 28 -4.116 3.994 5.982 235 HG13 VAL 28 HG13 VAL 28 -5.362 3.056 5.161 236 HG21 VAL 28 HG21 VAL 28 -6.024 0.845 6.110 237 HG22 VAL 28 HG22 VAL 28 -4.788 -0.085 6.958 238 HG23 VAL 28 HG23 VAL 28 -4.546 0.374 5.273 239 H TRP 29 H TRP 29 -0.663 2.833 6.417 240 HA TRP 29 HA TRP 29 -1.128 5.224 8.043 241 HB2 TRP 29 HB3 TRP 29 1.205 3.349 8.252 242 HB3 TRP 29 HB2 TRP 29 1.408 5.058 8.621 243 HD1 TRP 29 HD1 TRP 29 -1.076 2.259 9.701 244 HE1 TRP 29 HE1 TRP 29 -1.496 2.520 12.227 245 HE3 TRP 29 HE3 TRP 29 1.818 6.380 10.587 246 HZ2 TRP 29 HZ2 TRP 29 -0.707 4.243 14.318 247 HZ3 TRP 29 HZ3 TRP 29 1.931 7.272 12.877 248 HH2 TRP 29 HH2 TRP 29 0.694 6.225 14.703 249 H LEU 30 H LEU 30 -1.208 6.741 6.512 250 HA LEU 30 HA LEU 30 0.550 6.609 4.201 251 HB2 LEU 30 HB3 LEU 30 -2.024 7.630 4.687 252 HB3 LEU 30 HB2 LEU 30 -1.014 9.027 4.361 253 HG LEU 30 HG LEU 30 -0.760 6.747 2.484 254 HD11 LEU 30 HD11 LEU 30 -3.009 8.584 1.936 255 HD12 LEU 30 HD12 LEU 30 -3.286 7.322 3.138 256 HD13 LEU 30 HD13 LEU 30 -2.792 6.889 1.501 257 HD21 LEU 30 HD21 LEU 30 -1.208 9.524 1.600 258 HD22 LEU 30 HD22 LEU 30 -0.021 8.335 1.061 259 HD23 LEU 30 HD23 LEU 30 0.250 9.239 2.552 260 H ASN 31 H ASN 31 2.454 7.585 4.123 261 HA ASN 31 HA ASN 31 4.153 9.057 4.481 262 HB2 ASN 31 HB3 ASN 31 1.860 10.645 4.615 263 HB3 ASN 31 HB2 ASN 31 2.770 11.065 6.063 264 HD21 ASN 31 HD22 ASN 31 5.353 10.674 5.079 265 HD22 ASN 31 HD21 ASN 31 5.679 11.894 3.899 266 H GLY 32 H GLY 32 2.096 9.496 7.368 267 HA2 GLY 32 HA3 GLY 32 3.385 7.863 9.143 268 HA3 GLY 32 HA2 GLY 32 4.367 9.320 9.115 269 H SER 33 H SER 33 0.846 8.780 9.015 270 HA SER 33 HA SER 33 0.492 9.877 11.650 271 HB2 SER 33 HB3 SER 33 -0.467 11.457 9.250 272 HB3 SER 33 HB2 SER 33 -0.885 11.802 10.928 273 HG SER 33 HG SER 33 1.641 11.980 9.672 274 H CYS 34 H CYS 34 -0.193 7.469 10.114 275 HA CYS 34 HA CYS 34 -1.916 6.002 9.901 276 HB2 CYS 34 HB3 CYS 34 -2.280 6.920 12.292 277 HB3 CYS 34 HB2 CYS 34 -3.612 7.827 11.584 278 HG CYS 34 HG CYS 34 -4.810 5.754 12.242 279 H ALA 35 H ALA 35 -4.015 5.672 8.900 280 HA ALA 35 HA ALA 35 -5.366 7.918 7.707 281 HB1 ALA 35 HB1 ALA 35 -3.987 5.979 5.859 282 HB2 ALA 35 HB2 ALA 35 -3.390 7.597 6.227 283 HB3 ALA 35 HB3 ALA 35 -4.939 7.394 5.409 284 H LYS 36 H LYS 36 -7.224 7.220 6.368 285 HA LYS 36 HA LYS 36 -8.361 4.760 7.472 286 HB2 LYS 36 HB3 LYS 36 -9.419 7.255 7.311 287 HB3 LYS 36 HB2 LYS 36 -10.062 6.539 5.839 288 HG2 LYS 36 HG3 LYS 36 -10.527 4.586 7.709 289 HG3 LYS 36 HG2 LYS 36 -10.788 6.075 8.620 290 HD2 LYS 36 HD3 LYS 36 -12.554 6.735 7.294 291 HD3 LYS 36 HD2 LYS 36 -12.001 5.794 5.907 292 HE2 LYS 36 HE3 LYS 36 -12.476 3.841 7.746 293 HE3 LYS 36 HE2 LYS 36 -13.721 5.021 8.154 294 HZ1 LYS 36 HZ1 LYS 36 -14.838 3.949 6.543 295 HZ2 LYS 36 HZ2 LYS 36 -13.441 3.363 5.788 296 HZ3 LYS 36 HZ3 LYS 36 -13.953 4.950 5.507 297 H ALA 37 H ALA 37 -10.350 4.325 5.539 298 HA ALA 37 HA ALA 37 -8.732 3.111 3.433 299 HB1 ALA 37 HB1 ALA 37 -11.009 2.000 2.911 300 HB2 ALA 37 HB2 ALA 37 -11.485 2.615 4.493 301 HB3 ALA 37 HB3 ALA 37 -10.124 1.503 4.352 302 H SER 38 H SER 38 -9.381 6.002 3.479 303 HA SER 38 HA SER 38 -10.366 6.175 0.749 304 HB2 SER 38 HB3 SER 38 -11.780 7.320 3.123 305 HB3 SER 38 HB2 SER 38 -11.789 8.226 1.611 306 HG SER 38 HG SER 38 -13.487 6.480 2.132 307 H LYS 39 H LYS 39 -7.820 6.593 2.181 308 HA LYS 39 HA LYS 39 -7.442 9.481 1.846 309 HB2 LYS 39 HB3 LYS 39 -6.379 7.531 3.658 310 HB3 LYS 39 HB2 LYS 39 -5.054 8.251 2.757 311 HG2 LYS 39 HG3 LYS 39 -6.411 10.471 3.402 312 HG3 LYS 39 HG2 LYS 39 -6.853 9.441 4.766 313 HD2 LYS 39 HD3 LYS 39 -4.756 9.437 5.614 314 HD3 LYS 39 HD2 LYS 39 -3.999 9.438 4.020 315 HE2 LYS 39 HE3 LYS 39 -3.572 11.604 4.265 316 HE3 LYS 39 HE2 LYS 39 -5.308 11.916 4.285 317 HZ1 LYS 39 HZ1 LYS 39 -5.358 11.848 6.607 318 HZ2 LYS 39 HZ2 LYS 39 -3.962 12.734 6.250 319 HZ3 LYS 39 HZ3 LYS 39 -3.838 11.115 6.724 320 H GLU 40 H GLU 40 -6.477 10.260 0.091 321 HA GLU 40 HA GLU 40 -5.543 8.516 -1.970 322 HB2 GLU 40 HB3 GLU 40 -4.942 10.672 -3.124 323 HB3 GLU 40 HB2 GLU 40 -6.629 10.522 -2.654 324 HG2 GLU 40 HG3 GLU 40 -5.278 11.742 -0.502 325 HG3 GLU 40 HG2 GLU 40 -4.742 12.546 -1.976 326 H VAL 41 H VAL 41 -3.439 8.407 -2.859 327 HA VAL 41 HA VAL 41 -1.307 9.113 -0.948 328 HB VAL 41 HB VAL 41 -0.012 7.227 -1.978 329 HG11 VAL 41 HG11 VAL 41 -1.312 7.086 0.173 330 HG12 VAL 41 HG12 VAL 41 -1.017 5.547 -0.635 331 HG13 VAL 41 HG13 VAL 41 -2.602 6.312 -0.746 332 HG21 VAL 41 HG21 VAL 41 -1.399 7.152 -4.065 333 HG22 VAL 41 HG22 VAL 41 -2.669 6.380 -3.117 334 HG23 VAL 41 HG23 VAL 41 -1.108 5.585 -3.313 335 H LYS 42 H LYS 42 0.789 9.617 -1.863 336 HA LYS 42 HA LYS 42 0.647 10.655 -4.615 337 HB2 LYS 42 HB3 LYS 42 1.824 11.989 -2.175 338 HB3 LYS 42 HB2 LYS 42 2.145 12.524 -3.820 339 HG2 LYS 42 HG3 LYS 42 -0.546 12.481 -3.856 340 HG3 LYS 42 HG2 LYS 42 -0.258 12.849 -2.154 341 HD2 LYS 42 HD3 LYS 42 -0.371 14.946 -3.187 342 HD3 LYS 42 HD2 LYS 42 1.360 14.642 -3.013 343 HE2 LYS 42 HE3 LYS 42 1.015 15.493 -5.206 344 HE3 LYS 42 HE2 LYS 42 1.343 13.767 -5.364 345 HZ1 LYS 42 HZ1 LYS 42 -0.482 13.829 -6.646 346 HZ2 LYS 42 HZ2 LYS 42 -1.074 15.254 -5.954 347 HZ3 LYS 42 HZ3 LYS 42 -1.318 13.772 -5.178 348 H ALA 43 H ALA 43 3.088 11.388 -5.186 349 HA ALA 43 HA ALA 43 4.589 8.910 -5.087 350 HB1 ALA 43 HB1 ALA 43 5.863 9.748 -6.857 351 HB2 ALA 43 HB2 ALA 43 5.493 11.423 -6.452 352 HB3 ALA 43 HB3 ALA 43 4.248 10.391 -7.153 353 H GLY 44 H GLY 44 6.509 8.573 -4.075 354 HA2 GLY 44 HA3 GLY 44 8.378 9.005 -2.785 355 HA3 GLY 44 HA2 GLY 44 8.045 10.724 -2.941 356 H ASP 45 H ASP 45 5.625 8.502 -1.780 357 HA ASP 45 HA ASP 45 5.788 9.797 0.852 358 HB2 ASP 45 HB3 ASP 45 3.628 9.448 -0.819 359 HB3 ASP 45 HB2 ASP 45 3.437 8.123 0.326 360 H THR 46 H THR 46 5.117 8.384 2.725 361 HA THR 46 HA THR 46 6.518 5.816 2.497 362 HB THR 46 HB THR 46 5.806 7.429 4.954 363 HG1 THR 46 HG1 THR 46 7.459 8.333 3.611 364 HG21 THR 46 HG21 THR 46 7.741 5.876 5.837 365 HG22 THR 46 HG22 THR 46 7.093 4.784 4.613 366 HG23 THR 46 HG23 THR 46 6.048 5.383 5.902 367 H ILE 47 H ILE 47 5.491 3.932 2.754 368 HA ILE 47 HA ILE 47 2.673 4.011 3.618 369 HB ILE 47 HB ILE 47 3.981 2.042 1.734 370 HG12 ILE 47 HG13 ILE 47 3.673 4.306 0.771 371 HG13 ILE 47 HG12 ILE 47 2.660 3.098 -0.014 372 HG21 ILE 47 HG21 ILE 47 1.380 1.633 1.360 373 HG22 ILE 47 HG22 ILE 47 1.323 2.159 3.042 374 HG23 ILE 47 HG23 ILE 47 2.303 0.765 2.586 375 HD11 ILE 47 HD11 ILE 47 1.027 4.586 0.264 376 HD12 ILE 47 HD12 ILE 47 1.918 5.476 1.498 377 HD13 ILE 47 HD13 ILE 47 1.007 4.032 1.939 378 H SER 48 H SER 48 2.802 3.488 5.744 379 HA SER 48 HA SER 48 4.522 1.325 6.628 380 HB2 SER 48 HB3 SER 48 3.187 3.586 7.869 381 HB3 SER 48 HB2 SER 48 2.918 2.102 8.783 382 HG SER 48 HG SER 48 4.848 2.438 9.526 383 H LEU 49 H LEU 49 3.813 -0.588 7.583 384 HA LEU 49 HA LEU 49 0.965 -1.234 7.243 385 HB2 LEU 49 HB3 LEU 49 3.321 -2.536 6.038 386 HB3 LEU 49 HB2 LEU 49 2.147 -3.628 6.748 387 HG LEU 49 HG LEU 49 1.799 -3.255 4.326 388 HD11 LEU 49 HD11 LEU 49 -0.644 -2.633 4.530 389 HD12 LEU 49 HD12 LEU 49 -0.341 -2.389 6.250 390 HD13 LEU 49 HD13 LEU 49 -0.095 -3.980 5.528 391 HD21 LEU 49 HD21 LEU 49 1.445 -1.222 3.384 392 HD22 LEU 49 HD22 LEU 49 2.455 -0.704 4.734 393 HD23 LEU 49 HD23 LEU 49 0.701 -0.553 4.835 394 H HIS 50 H HIS 50 0.159 -2.876 8.635 395 HA HIS 50 HA HIS 50 1.760 -3.171 11.083 396 HB2 HIS 50 HB3 HIS 50 -0.564 -2.052 11.083 397 HB3 HIS 50 HB2 HIS 50 -1.199 -3.681 10.886 398 HD1 HIS 50 HD1 HIS 50 1.067 -1.789 13.284 399 HD2 HIS 50 HD2 HIS 50 -1.598 -4.975 13.232 400 HE1 HIS 50 HE1 HIS 50 0.860 -2.531 15.678 401 HE2 HIS 50 HE2 HIS 50 -0.827 -4.401 15.632 402 H TYR 51 H TYR 51 2.518 -5.099 11.635 403 HA TYR 51 HA TYR 51 1.197 -7.504 10.585 404 HB2 TYR 51 HB3 TYR 51 4.088 -6.737 10.373 405 HB3 TYR 51 HB2 TYR 51 3.639 -8.437 10.468 406 HD1 TYR 51 HD2 TYR 51 3.234 -5.349 8.472 407 HD2 TYR 51 HD1 TYR 51 2.745 -9.573 8.588 408 HE1 TYR 51 HE2 TYR 51 2.782 -5.356 6.056 409 HE2 TYR 51 HE1 TYR 51 2.293 -9.593 6.171 410 HH TYR 51 HH TYR 51 1.364 -7.798 4.458 411 H LEU 52 H LEU 52 2.495 -9.490 11.707 412 HA LEU 52 HA LEU 52 2.036 -9.077 14.548 413 HB2 LEU 52 HB3 LEU 52 2.889 -11.683 13.348 414 HB3 LEU 52 HB2 LEU 52 1.877 -11.391 14.750 415 HG LEU 52 HG LEU 52 0.967 -10.722 11.961 416 HD11 LEU 52 HD11 LEU 52 1.133 -12.951 11.609 417 HD12 LEU 52 HD12 LEU 52 -0.393 -12.957 12.493 418 HD13 LEU 52 HD13 LEU 52 1.113 -13.339 13.329 419 HD21 LEU 52 HD21 LEU 52 -0.219 -9.674 13.844 420 HD22 LEU 52 HD22 LEU 52 -0.546 -11.274 14.511 421 HD23 LEU 52 HD23 LEU 52 -1.240 -10.808 12.959 422 H LYS 53 H LYS 53 4.661 -9.839 12.345 423 HA LYS 53 HA LYS 53 6.567 -10.310 14.450 424 HB2 LYS 53 HB3 LYS 53 8.219 -10.267 12.534 425 HB3 LYS 53 HB2 LYS 53 6.961 -11.493 12.433 426 HG2 LYS 53 HG3 LYS 53 6.327 -8.939 11.127 427 HG3 LYS 53 HG2 LYS 53 7.658 -9.849 10.410 428 HD2 LYS 53 HD3 LYS 53 5.529 -11.653 11.012 429 HD3 LYS 53 HD2 LYS 53 4.874 -10.281 10.116 430 HE2 LYS 53 HE3 LYS 53 5.931 -10.859 8.218 431 HE3 LYS 53 HE2 LYS 53 7.404 -11.327 9.066 432 HZ1 LYS 53 HZ1 LYS 53 5.084 -13.063 9.391 433 HZ2 LYS 53 HZ2 LYS 53 6.723 -13.460 9.265 434 HZ3 LYS 53 HZ3 LYS 53 5.837 -13.076 7.877 435 H GLY 54 H GLY 54 5.446 -7.585 12.621 436 HA2 GLY 54 HA3 GLY 54 6.331 -5.599 14.232 437 HA3 GLY 54 HA2 GLY 54 7.735 -5.930 13.231 438 H ILE 55 H ILE 55 7.827 -4.127 12.005 439 HA ILE 55 HA ILE 55 5.494 -3.576 10.291 440 HB ILE 55 HB ILE 55 7.412 -1.488 11.329 441 HG12 ILE 55 HG13 ILE 55 5.270 -0.726 12.563 442 HG13 ILE 55 HG12 ILE 55 4.698 -2.368 12.286 443 HG21 ILE 55 HG21 ILE 55 6.625 -0.452 9.488 444 HG22 ILE 55 HG22 ILE 55 5.222 -0.147 10.512 445 HG23 ILE 55 HG23 ILE 55 5.208 -1.495 9.377 446 HD11 ILE 55 HD11 ILE 55 7.349 -2.419 13.374 447 HD12 ILE 55 HD12 ILE 55 5.858 -3.113 14.013 448 HD13 ILE 55 HD13 ILE 55 6.284 -1.442 14.386 449 H GLU 56 H GLU 56 5.929 -2.896 8.168 450 HA GLU 56 HA GLU 56 8.571 -3.708 7.199 451 HB2 GLU 56 HB3 GLU 56 5.932 -3.312 5.786 452 HB3 GLU 56 HB2 GLU 56 7.435 -3.675 4.949 453 HG2 GLU 56 HG3 GLU 56 6.828 -5.511 7.136 454 HG3 GLU 56 HG2 GLU 56 5.633 -5.513 5.839 455 H GLU 57 H GLU 57 6.194 -1.103 6.685 456 HA GLU 57 HA GLU 57 6.434 1.089 6.136 457 HB2 GLU 57 HB3 GLU 57 8.193 0.801 8.056 458 HB3 GLU 57 HB2 GLU 57 9.362 0.976 6.754 459 HG2 GLU 57 HG3 GLU 57 7.837 3.085 6.208 460 HG3 GLU 57 HG2 GLU 57 7.522 2.964 7.938 461 H TYR 58 H TYR 58 6.132 1.202 3.985 462 HA TYR 58 HA TYR 58 8.441 0.685 2.234 463 HB2 TYR 58 HB3 TYR 58 5.516 0.799 1.476 464 HB3 TYR 58 HB2 TYR 58 6.853 0.350 0.424 465 HD1 TYR 58 HD1 TYR 58 5.080 -0.690 3.529 466 HD2 TYR 58 HD2 TYR 58 7.512 -1.877 0.247 467 HE1 TYR 58 HE1 TYR 58 4.801 -3.044 4.181 468 HE2 TYR 58 HE2 TYR 58 7.240 -4.235 0.891 469 HH TYR 58 HH TYR 58 4.986 -5.411 2.659 470 H THR 59 H THR 59 8.052 2.026 0.054 471 HA THR 59 HA THR 59 7.295 4.777 0.688 472 HB THR 59 HB THR 59 9.998 3.985 -0.419 473 HG1 THR 59 HG1 THR 59 10.441 3.954 1.627 474 HG21 THR 59 HG21 THR 59 9.026 6.757 0.211 475 HG22 THR 59 HG22 THR 59 9.098 6.080 -1.415 476 HG23 THR 59 HG23 THR 59 10.579 6.288 -0.481 477 H ILE 60 H ILE 60 6.162 5.661 -0.924 478 HA ILE 60 HA ILE 60 5.749 4.201 -3.356 479 HB ILE 60 HB ILE 60 4.794 6.997 -2.763 480 HG12 ILE 60 HG13 ILE 60 3.433 4.380 -2.084 481 HG13 ILE 60 HG12 ILE 60 4.189 5.458 -0.915 482 HG21 ILE 60 HG21 ILE 60 4.087 6.770 -4.876 483 HG22 ILE 60 HG22 ILE 60 2.850 5.718 -4.186 484 HG23 ILE 60 HG23 ILE 60 4.320 5.021 -4.868 485 HD11 ILE 60 HD11 ILE 60 2.543 7.214 -1.934 486 HD12 ILE 60 HD12 ILE 60 1.995 6.059 -0.721 487 HD13 ILE 60 HD13 ILE 60 1.650 5.776 -2.427 488 H LEU 61 H LEU 61 6.803 4.404 -5.209 489 HA LEU 61 HA LEU 61 8.780 6.530 -5.480 490 HB2 LEU 61 HB3 LEU 61 8.295 4.085 -7.181 491 HB3 LEU 61 HB2 LEU 61 9.630 5.208 -7.366 492 HG LEU 61 HG LEU 61 9.768 4.387 -4.698 493 HD11 LEU 61 HD11 LEU 61 9.279 2.016 -6.492 494 HD12 LEU 61 HD12 LEU 61 8.201 2.578 -5.216 495 HD13 LEU 61 HD13 LEU 61 9.803 1.965 -4.809 496 HD21 LEU 61 HD21 LEU 61 11.684 2.920 -5.832 497 HD22 LEU 61 HD22 LEU 61 11.803 4.671 -5.658 498 HD23 LEU 61 HD23 LEU 61 11.300 3.970 -7.197 499 H GLN 62 H GLN 62 5.639 5.775 -6.565 500 HA GLN 62 HA GLN 62 5.315 8.166 -7.973 501 HB2 GLN 62 HB3 GLN 62 6.757 6.429 -9.510 502 HB3 GLN 62 HB2 GLN 62 5.117 6.068 -10.031 503 HG2 GLN 62 HG3 GLN 62 4.909 8.651 -10.251 504 HG3 GLN 62 HG2 GLN 62 6.670 8.600 -10.286 505 HE21 GLN 62 HE22 GLN 62 5.016 9.479 -12.399 506 HE22 GLN 62 HE21 GLN 62 5.248 8.410 -13.737 507 H ILE 63 H ILE 63 3.231 8.144 -9.299 508 HA ILE 63 HA ILE 63 1.339 6.167 -8.213 509 HB ILE 63 HB ILE 63 0.730 9.106 -8.537 510 HG12 ILE 63 HG13 ILE 63 2.370 8.726 -6.731 511 HG13 ILE 63 HG12 ILE 63 0.812 9.253 -6.099 512 HG21 ILE 63 HG21 ILE 63 -1.010 7.050 -8.550 513 HG22 ILE 63 HG22 ILE 63 -1.391 8.655 -7.926 514 HG23 ILE 63 HG23 ILE 63 -0.913 7.369 -6.818 515 HD11 ILE 63 HD11 ILE 63 1.992 7.390 -4.859 516 HD12 ILE 63 HD12 ILE 63 1.588 6.360 -6.232 517 HD13 ILE 63 HD13 ILE 63 0.304 7.114 -5.288 518 HA PRO 64 HA PRO 64 0.845 6.163 -12.770 519 HB2 PRO 64 HB2 PRO 64 -0.102 3.622 -12.901 520 HB3 PRO 64 HB3 PRO 64 1.621 4.003 -12.832 521 HG2 PRO 64 HG3 PRO 64 -0.219 3.145 -10.631 522 HG3 PRO 64 HG2 PRO 64 1.435 2.608 -10.979 523 HD2 PRO 64 HD3 PRO 64 0.876 4.427 -9.058 524 HD3 PRO 64 HD2 PRO 64 2.380 4.471 -10.001 525 H ALA 65 H ALA 65 -1.324 5.795 -10.150 526 HA ALA 65 HA ALA 65 -3.564 6.111 -9.915 527 HB1 ALA 65 HB1 ALA 65 -4.607 7.393 -11.979 528 HB2 ALA 65 HB2 ALA 65 -2.907 7.650 -12.370 529 HB3 ALA 65 HB3 ALA 65 -3.550 8.204 -10.823 530 H LEU 66 H LEU 66 -2.609 3.645 -11.099 531 HA LEU 66 HA LEU 66 -4.615 2.942 -13.087 532 HB2 LEU 66 HB3 LEU 66 -2.081 1.812 -12.132 533 HB3 LEU 66 HB2 LEU 66 -3.313 0.611 -12.469 534 HG LEU 66 HG LEU 66 -3.553 1.558 -14.757 535 HD11 LEU 66 HD11 LEU 66 -2.335 3.762 -13.783 536 HD12 LEU 66 HD12 LEU 66 -2.425 3.357 -15.498 537 HD13 LEU 66 HD13 LEU 66 -0.976 2.961 -14.573 538 HD21 LEU 66 HD21 LEU 66 -2.253 -0.284 -14.925 539 HD22 LEU 66 HD22 LEU 66 -1.111 0.274 -13.701 540 HD23 LEU 66 HD23 LEU 66 -1.023 0.910 -15.344 541 H LYS 67 H LYS 67 -5.303 0.416 -12.590 542 HA LYS 67 HA LYS 67 -6.816 0.619 -10.078 543 HB2 LYS 67 HB3 LYS 67 -7.371 -1.052 -12.536 544 HB3 LYS 67 HB2 LYS 67 -8.379 -0.990 -11.097 545 HG2 LYS 67 HG3 LYS 67 -7.761 1.519 -12.592 546 HG3 LYS 67 HG2 LYS 67 -9.009 0.419 -13.179 547 HD2 LYS 67 HD3 LYS 67 -9.626 0.608 -10.525 548 HD3 LYS 67 HD2 LYS 67 -9.021 2.229 -10.874 549 HE2 LYS 67 HE3 LYS 67 -11.078 2.667 -11.623 550 HE3 LYS 67 HE2 LYS 67 -10.640 1.700 -13.031 551 HZ1 LYS 67 HZ1 LYS 67 -11.666 0.302 -10.674 552 HZ2 LYS 67 HZ2 LYS 67 -11.854 -0.066 -12.315 553 HZ3 LYS 67 HZ3 LYS 67 -12.770 1.173 -11.616 554 H ASN 68 H ASN 68 -5.053 -1.723 -12.091 555 HA ASN 68 HA ASN 68 -4.337 -3.171 -9.642 556 HB2 ASN 68 HB3 ASN 68 -5.955 -4.170 -11.863 557 HB3 ASN 68 HB2 ASN 68 -4.563 -5.190 -11.517 558 HD21 ASN 68 HD22 ASN 68 -7.251 -5.942 -11.167 559 HD22 ASN 68 HD21 ASN 68 -7.514 -6.221 -9.482 560 H VAL 69 H VAL 69 -2.323 -4.146 -9.658 561 HA VAL 69 HA VAL 69 -0.677 -3.704 -12.058 562 HB VAL 69 HB VAL 69 0.388 -3.402 -9.255 563 HG11 VAL 69 HG11 VAL 69 1.456 -2.668 -11.975 564 HG12 VAL 69 HG12 VAL 69 2.078 -3.901 -10.878 565 HG13 VAL 69 HG13 VAL 69 2.205 -2.196 -10.451 566 HG21 VAL 69 HG21 VAL 69 -0.374 -1.142 -11.096 567 HG22 VAL 69 HG22 VAL 69 0.194 -1.034 -9.430 568 HG23 VAL 69 HG23 VAL 69 -1.397 -1.714 -9.776 569 HA PRO 70 HA PRO 70 -0.153 -8.150 -11.624 570 HB2 PRO 70 HB2 PRO 70 2.165 -7.533 -13.393 571 HB3 PRO 70 HB3 PRO 70 0.906 -8.760 -13.574 572 HG2 PRO 70 HG3 PRO 70 0.864 -6.549 -15.053 573 HG3 PRO 70 HG2 PRO 70 -0.636 -7.244 -14.411 574 HD2 PRO 70 HD3 PRO 70 0.890 -4.849 -13.493 575 HD3 PRO 70 HD2 PRO 70 -0.863 -5.124 -13.533 576 H ARG 71 H ARG 71 2.028 -9.534 -11.452 577 HA ARG 71 HA ARG 71 3.457 -8.391 -9.176 578 HB2 ARG 71 HB3 ARG 71 4.126 -10.662 -8.651 579 HB3 ARG 71 HB2 ARG 71 2.384 -10.583 -8.879 580 HG2 ARG 71 HG3 ARG 71 3.046 -11.228 -11.346 581 HG3 ARG 71 HG2 ARG 71 4.459 -11.895 -10.529 582 HD2 ARG 71 HD3 ARG 71 3.214 -13.441 -9.349 583 HD3 ARG 71 HD2 ARG 71 1.732 -12.496 -9.474 584 HE ARG 71 HE ARG 71 1.283 -13.518 -11.476 585 HH11 ARG 71 HH11 ARG 71 4.605 -14.135 -10.603 586 HH12 ARG 71 HH12 ARG 71 4.854 -15.290 -11.869 587 HH21 ARG 71 HH22 ARG 71 1.607 -15.038 -13.140 588 HH22 ARG 71 HH21 ARG 71 3.152 -15.803 -13.310 589 H LYS 72 H LYS 72 4.062 -7.575 -11.903 590 HA LYS 72 HA LYS 72 6.866 -8.472 -12.023 591 HB2 LYS 72 HB3 LYS 72 4.832 -8.217 -14.171 592 HB3 LYS 72 HB2 LYS 72 6.468 -7.704 -14.562 593 HG2 LYS 72 HG3 LYS 72 6.234 -10.316 -13.227 594 HG3 LYS 72 HG2 LYS 72 5.570 -10.218 -14.858 595 HD2 LYS 72 HD3 LYS 72 7.623 -9.740 -15.807 596 HD3 LYS 72 HD2 LYS 72 8.289 -9.114 -14.297 597 HE2 LYS 72 HE3 LYS 72 7.503 -11.970 -14.356 598 HE3 LYS 72 HE2 LYS 72 8.935 -11.510 -15.275 599 HZ1 LYS 72 HZ1 LYS 72 9.239 -12.202 -12.855 600 HZ2 LYS 72 HZ2 LYS 72 8.597 -10.687 -12.459 601 HZ3 LYS 72 HZ3 LYS 72 10.021 -10.792 -13.366 602 H ASP 73 H ASP 73 4.597 -5.844 -12.741 603 HA ASP 73 HA ASP 73 6.843 -3.948 -12.650 604 HB2 ASP 73 HB3 ASP 73 4.103 -3.778 -13.897 605 HB3 ASP 73 HB2 ASP 73 5.112 -2.354 -13.659 606 H THR 74 H THR 74 5.488 -5.179 -10.323 607 HA THR 74 HA THR 74 4.060 -2.934 -9.134 608 HB THR 74 HB THR 74 3.023 -5.024 -8.712 609 HG1 THR 74 HG1 THR 74 3.252 -5.199 -6.423 610 HG21 THR 74 HG21 THR 74 4.343 -6.780 -7.362 611 HG22 THR 74 HG22 THR 74 5.765 -6.001 -8.056 612 HG23 THR 74 HG23 THR 74 4.542 -6.709 -9.112 613 H HIS 75 H HIS 75 7.234 -4.047 -9.345 614 HA HIS 75 HA HIS 75 8.012 -2.992 -6.736 615 HB2 HIS 75 HB3 HIS 75 9.306 -4.715 -8.791 616 HB3 HIS 75 HB2 HIS 75 10.354 -3.733 -7.773 617 HD1 HIS 75 HD1 HIS 75 11.300 -5.354 -6.147 618 HD2 HIS 75 HD2 HIS 75 7.197 -5.819 -6.608 619 HE1 HIS 75 HE1 HIS 75 10.624 -7.077 -4.445 620 HE2 HIS 75 HE2 HIS 75 8.152 -7.408 -4.804 621 H LEU 76 H LEU 76 7.068 -1.333 -9.083 622 HA LEU 76 HA LEU 76 9.427 0.423 -9.249 623 HB2 LEU 76 HB3 LEU 76 7.450 -0.405 -11.312 624 HB3 LEU 76 HB2 LEU 76 8.072 1.233 -11.387 625 HG LEU 76 HG LEU 76 10.150 -0.820 -11.083 626 HD11 LEU 76 HD11 LEU 76 8.207 -0.901 -13.340 627 HD12 LEU 76 HD12 LEU 76 9.030 -2.222 -12.510 628 HD13 LEU 76 HD13 LEU 76 9.913 -1.216 -13.661 629 HD21 LEU 76 HD21 LEU 76 9.779 1.391 -13.098 630 HD22 LEU 76 HD22 LEU 76 11.272 0.529 -12.723 631 HD23 LEU 76 HD23 LEU 76 10.540 1.593 -11.520 632 H TYR 77 H TYR 77 6.386 0.113 -7.953 633 HA TYR 77 HA TYR 77 5.910 3.017 -8.003 634 HB2 TYR 77 HB3 TYR 77 3.957 0.794 -7.375 635 HB3 TYR 77 HB2 TYR 77 3.580 2.512 -7.442 636 HD1 TYR 77 HD2 TYR 77 4.572 3.570 -9.810 637 HD2 TYR 77 HD1 TYR 77 3.154 -0.390 -9.172 638 HE1 TYR 77 HE2 TYR 77 4.069 3.369 -12.209 639 HE2 TYR 77 HE1 TYR 77 2.649 -0.602 -11.569 640 HH TYR 77 HH TYR 77 3.478 0.472 -13.728 641 H ILE 78 H ILE 78 6.617 0.298 -5.991 642 HA ILE 78 HA ILE 78 6.914 2.062 -3.706 643 HB ILE 78 HB ILE 78 4.597 1.268 -3.496 644 HG12 ILE 78 HG13 ILE 78 5.627 -0.268 -1.288 645 HG13 ILE 78 HG12 ILE 78 6.650 1.140 -1.562 646 HG21 ILE 78 HG21 ILE 78 5.594 -1.509 -3.029 647 HG22 ILE 78 HG22 ILE 78 5.217 -0.965 -4.664 648 HG23 ILE 78 HG23 ILE 78 3.966 -0.952 -3.419 649 HD11 ILE 78 HD11 ILE 78 3.771 1.014 -0.802 650 HD12 ILE 78 HD12 ILE 78 4.412 2.437 -1.623 651 HD13 ILE 78 HD13 ILE 78 5.088 1.933 -0.074 652 H ALA 79 H ALA 79 8.482 1.415 -2.297 653 HA ALA 79 HA ALA 79 9.591 -1.273 -2.541 654 HB1 ALA 79 HB1 ALA 79 11.777 -0.608 -3.039 655 HB2 ALA 79 HB2 ALA 79 11.446 1.082 -2.657 656 HB3 ALA 79 HB3 ALA 79 10.773 0.360 -4.119 657 HA PRO 80 HA PRO 80 9.507 -0.997 1.904 658 HB2 PRO 80 HB2 PRO 80 11.921 -2.730 1.585 659 HB3 PRO 80 HB3 PRO 80 10.518 -2.940 2.639 660 HG2 PRO 80 HG3 PRO 80 10.757 -4.359 0.400 661 HG3 PRO 80 HG2 PRO 80 9.180 -3.740 0.923 662 HD2 PRO 80 HD3 PRO 80 10.950 -2.803 -1.276 663 HD3 PRO 80 HD2 PRO 80 9.180 -2.763 -1.153 664 H LYS 81 H LYS 81 10.261 0.659 3.050 665 HA LYS 81 HA LYS 81 12.707 1.990 2.316 666 HB2 LYS 81 HB3 LYS 81 10.395 2.904 3.329 667 HB3 LYS 81 HB2 LYS 81 11.301 2.719 4.826 668 HG2 LYS 81 HG3 LYS 81 12.454 4.197 2.491 669 HG3 LYS 81 HG2 LYS 81 11.362 4.985 3.630 670 HD2 LYS 81 HD3 LYS 81 13.005 5.239 5.110 671 HD3 LYS 81 HD2 LYS 81 13.375 3.515 5.059 672 HE2 LYS 81 HE3 LYS 81 15.348 4.230 4.238 673 HE3 LYS 81 HE2 LYS 81 14.456 4.309 2.720 674 HZ1 LYS 81 HZ1 LYS 81 15.233 6.405 2.726 675 HZ2 LYS 81 HZ2 LYS 81 15.442 6.458 4.404 676 HZ3 LYS 81 HZ3 LYS 81 13.908 6.701 3.735 677 H THR 82 H THR 82 14.513 0.885 2.834 678 HA THR 82 HA THR 82 15.104 0.548 5.656 679 HB THR 82 HB THR 82 15.676 -1.806 3.894 680 HG1 THR 82 HG1 THR 82 13.237 -1.315 5.254 681 HG21 THR 82 HG21 THR 82 16.630 -2.370 5.841 682 HG22 THR 82 HG22 THR 82 14.979 -2.797 6.295 683 HG23 THR 82 HG23 THR 82 15.649 -1.239 6.774 684 H LYS 83 H LYS 83 17.352 0.350 6.102 685 HA LYS 83 HA LYS 83 19.189 0.636 3.853 686 HB2 LYS 83 HB3 LYS 83 18.819 2.684 6.034 687 HB3 LYS 83 HB2 LYS 83 20.297 2.576 5.088 688 HG2 LYS 83 HG3 LYS 83 17.588 2.923 3.838 689 HG3 LYS 83 HG2 LYS 83 18.604 4.279 4.327 690 HD2 LYS 83 HD3 LYS 83 20.289 3.705 2.777 691 HD3 LYS 83 HD2 LYS 83 19.593 2.108 2.496 692 HE2 LYS 83 HE3 LYS 83 18.726 3.083 0.662 693 HE3 LYS 83 HE2 LYS 83 17.515 3.685 1.792 694 HZ1 LYS 83 HZ1 LYS 83 19.723 5.104 0.500 695 HZ2 LYS 83 HZ2 LYS 83 19.281 5.593 2.059 696 HZ3 LYS 83 HZ3 LYS 83 18.142 5.620 0.808 697 H GLU 84 H GLU 84 21.438 0.357 4.462 698 HA GLU 84 HA GLU 84 21.685 -1.441 6.760 699 HB2 GLU 84 HB3 GLU 84 23.187 -1.090 4.202 700 HB3 GLU 84 HB2 GLU 84 24.024 -1.787 5.581 701 HG2 GLU 84 HG3 GLU 84 21.386 -2.873 4.687 702 HG3 GLU 84 HG2 GLU 84 22.881 -3.348 3.884 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -3.024 7.844 -6.292 2 H2 MET 1 H2 MET 1 -4.705 8.002 -6.003 3 H3 MET 1 H3 MET 1 -4.151 7.266 -7.451 4 HA MET 1 HA MET 1 -4.796 5.518 -6.162 5 HB2 MET 1 HB3 MET 1 -2.295 5.726 -7.045 6 HB3 MET 1 HB2 MET 1 -1.933 5.625 -5.327 7 HG2 MET 1 HG3 MET 1 -2.653 3.466 -5.155 8 HG3 MET 1 HG2 MET 1 -3.780 3.617 -6.502 9 HE1 MET 1 HE1 MET 1 -1.452 0.740 -7.027 10 HE2 MET 1 HE2 MET 1 -2.486 1.218 -8.373 11 HE3 MET 1 HE3 MET 1 -3.081 1.341 -6.716 12 H ARG 2 H ARG 2 -4.820 4.365 -4.125 13 HA ARG 2 HA ARG 2 -4.267 6.020 -1.766 14 HB2 ARG 2 HB3 ARG 2 -6.822 4.449 -2.111 15 HB3 ARG 2 HB2 ARG 2 -6.409 5.534 -0.791 16 HG2 ARG 2 HG3 ARG 2 -7.445 7.157 -1.879 17 HG3 ARG 2 HG2 ARG 2 -6.189 7.071 -3.117 18 HD2 ARG 2 HD3 ARG 2 -8.092 6.767 -4.376 19 HD3 ARG 2 HD2 ARG 2 -7.627 5.099 -4.037 20 HE ARG 2 HE ARG 2 -9.527 4.860 -2.778 21 HH11 ARG 2 HH11 ARG 2 -8.981 8.255 -3.374 22 HH12 ARG 2 HH12 ARG 2 -10.510 8.742 -2.724 23 HH21 ARG 2 HH22 ARG 2 -11.540 5.500 -1.924 24 HH22 ARG 2 HH21 ARG 2 -11.962 7.180 -1.900 25 H ILE 3 H ILE 3 -3.751 4.895 0.105 26 HA ILE 3 HA ILE 3 -2.272 2.620 -0.010 27 HB ILE 3 HB ILE 3 -2.386 4.052 1.968 28 HG12 ILE 3 HG13 ILE 3 -1.780 1.463 1.961 29 HG13 ILE 3 HG12 ILE 3 -1.773 2.409 3.444 30 HG21 ILE 3 HG21 ILE 3 -5.028 2.736 2.564 31 HG22 ILE 3 HG22 ILE 3 -4.831 4.375 1.948 32 HG23 ILE 3 HG23 ILE 3 -4.203 3.951 3.540 33 HD11 ILE 3 HD11 ILE 3 -4.026 1.579 3.957 34 HD12 ILE 3 HD12 ILE 3 -2.844 0.281 3.806 35 HD13 ILE 3 HD13 ILE 3 -3.981 0.594 2.497 36 H ASP 4 H ASP 4 -5.758 2.812 0.119 37 HA ASP 4 HA ASP 4 -6.283 0.142 0.848 38 HB2 ASP 4 HB3 ASP 4 -7.988 1.913 0.935 39 HB3 ASP 4 HB2 ASP 4 -7.969 2.018 -0.823 40 H LYS 5 H LYS 5 -6.439 1.645 -2.393 41 HA LYS 5 HA LYS 5 -6.378 -0.994 -3.613 42 HB2 LYS 5 HB3 LYS 5 -6.990 1.767 -4.543 43 HB3 LYS 5 HB2 LYS 5 -6.448 0.596 -5.737 44 HG2 LYS 5 HG3 LYS 5 -8.354 -0.618 -5.620 45 HG3 LYS 5 HG2 LYS 5 -8.603 -0.269 -3.908 46 HD2 LYS 5 HD3 LYS 5 -8.895 1.888 -5.968 47 HD3 LYS 5 HD2 LYS 5 -10.216 0.762 -5.650 48 HE2 LYS 5 HE3 LYS 5 -10.169 1.392 -3.279 49 HE3 LYS 5 HE2 LYS 5 -8.861 2.527 -3.613 50 HZ1 LYS 5 HZ1 LYS 5 -11.253 2.834 -5.232 51 HZ2 LYS 5 HZ2 LYS 5 -10.266 4.011 -4.524 52 HZ3 LYS 5 HZ3 LYS 5 -11.428 3.209 -3.593 53 H PHE 6 H PHE 6 -4.054 1.154 -2.582 54 HA PHE 6 HA PHE 6 -2.251 1.007 -4.793 55 HB2 PHE 6 HB3 PHE 6 -2.318 2.784 -2.947 56 HB3 PHE 6 HB2 PHE 6 -1.457 1.613 -1.954 57 HD1 PHE 6 HD1 PHE 6 0.660 0.548 -3.181 58 HD2 PHE 6 HD2 PHE 6 -1.074 4.326 -4.086 59 HE1 PHE 6 HE1 PHE 6 2.791 1.285 -4.165 60 HE2 PHE 6 HE2 PHE 6 1.054 5.071 -5.072 61 HZ PHE 6 HZ PHE 6 2.990 3.549 -5.113 62 H LEU 7 H LEU 7 -1.938 -0.351 -1.502 63 HA LEU 7 HA LEU 7 0.051 -2.221 -2.435 64 HB2 LEU 7 HB3 LEU 7 0.171 -2.923 -0.086 65 HB3 LEU 7 HB2 LEU 7 0.365 -1.193 -0.283 66 HG LEU 7 HG LEU 7 -2.234 -1.187 0.225 67 HD11 LEU 7 HD11 LEU 7 -1.665 -3.315 2.141 68 HD12 LEU 7 HD12 LEU 7 -1.762 -3.869 0.469 69 HD13 LEU 7 HD13 LEU 7 -3.116 -2.999 1.190 70 HD21 LEU 7 HD21 LEU 7 -0.499 -0.031 1.509 71 HD22 LEU 7 HD22 LEU 7 -0.125 -1.535 2.352 72 HD23 LEU 7 HD23 LEU 7 -1.702 -0.775 2.563 73 H GLN 8 H GLN 8 -3.339 -2.246 -2.094 74 HA GLN 8 HA GLN 8 -3.494 -5.127 -1.755 75 HB2 GLN 8 HB3 GLN 8 -5.707 -3.118 -2.165 76 HB3 GLN 8 HB2 GLN 8 -5.906 -4.799 -1.688 77 HG2 GLN 8 HG3 GLN 8 -4.577 -4.286 0.366 78 HG3 GLN 8 HG2 GLN 8 -4.633 -2.585 -0.097 79 HE21 GLN 8 HE22 GLN 8 -6.900 -5.310 0.153 80 HE22 GLN 8 HE21 GLN 8 -8.133 -4.428 0.982 81 H SER 9 H SER 9 -3.474 -2.827 -4.317 82 HA SER 9 HA SER 9 -4.522 -4.844 -6.185 83 HB2 SER 9 HB3 SER 9 -4.085 -1.953 -6.889 84 HB3 SER 9 HB2 SER 9 -5.176 -3.119 -7.635 85 HG SER 9 HG SER 9 -6.080 -1.464 -6.121 86 H VAL 10 H VAL 10 -1.725 -4.547 -5.020 87 HA VAL 10 HA VAL 10 -0.271 -4.307 -7.573 88 HB VAL 10 HB VAL 10 1.777 -4.058 -6.054 89 HG11 VAL 10 HG11 VAL 10 1.208 -1.606 -5.629 90 HG12 VAL 10 HG12 VAL 10 -0.361 -1.970 -6.347 91 HG13 VAL 10 HG13 VAL 10 1.113 -2.183 -7.293 92 HG21 VAL 10 HG21 VAL 10 -0.341 -3.317 -4.040 93 HG22 VAL 10 HG22 VAL 10 1.407 -3.233 -3.822 94 HG23 VAL 10 HG23 VAL 10 0.613 -4.799 -3.993 95 H GLY 11 H GLY 11 -1.081 -6.385 -4.938 96 HA2 GLY 11 HA3 GLY 11 -0.896 -8.794 -5.517 97 HA3 GLY 11 HA2 GLY 11 0.748 -8.437 -6.025 98 H LEU 12 H LEU 12 -0.852 -7.176 -3.149 99 HA LEU 12 HA LEU 12 1.018 -8.747 -1.502 100 HB2 LEU 12 HB3 LEU 12 0.535 -5.879 -1.643 101 HB3 LEU 12 HB2 LEU 12 0.343 -6.500 -0.016 102 HG LEU 12 HG LEU 12 2.796 -7.151 -1.615 103 HD11 LEU 12 HD11 LEU 12 3.191 -4.940 -1.725 104 HD12 LEU 12 HD12 LEU 12 3.629 -5.133 -0.027 105 HD13 LEU 12 HD13 LEU 12 2.020 -4.559 -0.463 106 HD21 LEU 12 HD21 LEU 12 1.947 -8.106 0.743 107 HD22 LEU 12 HD22 LEU 12 2.820 -6.679 1.300 108 HD23 LEU 12 HD23 LEU 12 3.652 -7.901 0.339 109 H VAL 13 H VAL 13 -2.118 -7.106 -1.612 110 HA VAL 13 HA VAL 13 -3.105 -9.029 0.393 111 HB VAL 13 HB VAL 13 -4.056 -6.179 0.079 112 HG11 VAL 13 HG11 VAL 13 -5.165 -6.671 2.275 113 HG12 VAL 13 HG12 VAL 13 -4.745 -8.366 2.028 114 HG13 VAL 13 HG13 VAL 13 -5.820 -7.550 0.894 115 HG21 VAL 13 HG21 VAL 13 -2.707 -5.504 1.789 116 HG22 VAL 13 HG22 VAL 13 -1.673 -6.749 1.090 117 HG23 VAL 13 HG23 VAL 13 -2.641 -7.108 2.520 118 H LYS 14 H LYS 14 -5.400 -9.518 0.241 119 HA LYS 14 HA LYS 14 -6.344 -9.389 -2.542 120 HB2 LYS 14 HB3 LYS 14 -7.206 -11.331 -0.394 121 HB3 LYS 14 HB2 LYS 14 -7.590 -11.408 -2.108 122 HG2 LYS 14 HG3 LYS 14 -4.740 -11.329 -1.705 123 HG3 LYS 14 HG2 LYS 14 -5.473 -12.647 -0.788 124 HD2 LYS 14 HD3 LYS 14 -6.536 -12.407 -3.493 125 HD3 LYS 14 HD2 LYS 14 -4.798 -12.709 -3.460 126 HE2 LYS 14 HE3 LYS 14 -5.101 -14.832 -2.861 127 HE3 LYS 14 HE2 LYS 14 -6.186 -14.373 -1.549 128 HZ1 LYS 14 HZ1 LYS 14 -7.297 -14.206 -4.227 129 HZ2 LYS 14 HZ2 LYS 14 -8.000 -14.770 -2.794 130 HZ3 LYS 14 HZ3 LYS 14 -6.957 -15.769 -3.674 131 H ARG 15 H ARG 15 -8.924 -9.847 -2.446 132 HA ARG 15 HA ARG 15 -10.967 -8.907 -2.104 133 HB2 ARG 15 HB3 ARG 15 -9.713 -8.827 0.590 134 HB3 ARG 15 HB2 ARG 15 -11.163 -7.861 0.350 135 HG2 ARG 15 HG3 ARG 15 -12.074 -10.113 -0.679 136 HG3 ARG 15 HG2 ARG 15 -10.821 -10.810 0.350 137 HD2 ARG 15 HD3 ARG 15 -11.930 -9.114 2.100 138 HD3 ARG 15 HD2 ARG 15 -13.333 -9.426 1.078 139 HE ARG 15 HE ARG 15 -13.436 -11.554 1.923 140 HH11 ARG 15 HH11 ARG 15 -10.348 -10.154 2.743 141 HH12 ARG 15 HH12 ARG 15 -9.900 -11.448 3.802 142 HH21 ARG 15 HH22 ARG 15 -12.848 -13.259 3.315 143 HH22 ARG 15 HH21 ARG 15 -11.319 -13.212 4.126 144 H ARG 16 H ARG 16 -12.094 -6.872 -1.972 145 HA ARG 16 HA ARG 16 -10.807 -4.416 -1.452 146 HB2 ARG 16 HB3 ARG 16 -10.650 -3.564 -3.772 147 HB3 ARG 16 HB2 ARG 16 -9.533 -4.886 -3.457 148 HG2 ARG 16 HG3 ARG 16 -10.468 -6.198 -5.003 149 HG3 ARG 16 HG2 ARG 16 -12.107 -5.765 -4.514 150 HD2 ARG 16 HD3 ARG 16 -11.569 -3.498 -5.665 151 HD3 ARG 16 HD2 ARG 16 -10.290 -4.409 -6.467 152 HE ARG 16 HE ARG 16 -12.477 -5.940 -6.878 153 HH11 ARG 16 HH11 ARG 16 -11.815 -2.554 -7.410 154 HH12 ARG 16 HH12 ARG 16 -12.895 -2.427 -8.756 155 HH21 ARG 16 HH22 ARG 16 -13.897 -5.774 -8.649 156 HH22 ARG 16 HH21 ARG 16 -14.078 -4.254 -9.460 157 H VAL 17 H VAL 17 -12.131 -2.609 -2.864 158 HA VAL 17 HA VAL 17 -14.137 -1.582 -3.207 159 HB VAL 17 HB VAL 17 -15.441 -4.302 -3.232 160 HG11 VAL 17 HG11 VAL 17 -16.195 -1.561 -4.090 161 HG12 VAL 17 HG12 VAL 17 -17.174 -2.827 -3.349 162 HG13 VAL 17 HG13 VAL 17 -16.764 -2.917 -5.061 163 HG21 VAL 17 HG21 VAL 17 -13.442 -4.210 -4.738 164 HG22 VAL 17 HG22 VAL 17 -14.236 -2.900 -5.611 165 HG23 VAL 17 HG23 VAL 17 -14.971 -4.502 -5.564 166 H LEU 18 H LEU 18 -16.223 -1.131 -2.135 167 HA LEU 18 HA LEU 18 -17.516 -0.792 -0.298 168 HB2 LEU 18 HB3 LEU 18 -16.656 -3.577 -0.047 169 HB3 LEU 18 HB2 LEU 18 -17.022 -2.829 1.496 170 HG LEU 18 HG LEU 18 -19.237 -2.102 0.366 171 HD11 LEU 18 HD11 LEU 18 -20.006 -3.634 -1.382 172 HD12 LEU 18 HD12 LEU 18 -18.403 -4.366 -1.440 173 HD13 LEU 18 HD13 LEU 18 -18.619 -2.681 -1.912 174 HD21 LEU 18 HD21 LEU 18 -19.214 -5.038 0.701 175 HD22 LEU 18 HD22 LEU 18 -20.242 -3.816 1.450 176 HD23 LEU 18 HD23 LEU 18 -18.608 -4.082 2.055 177 H ALA 19 H ALA 19 -14.825 -2.498 1.280 178 HA ALA 19 HA ALA 19 -13.458 -0.192 2.143 179 HB1 ALA 19 HB1 ALA 19 -15.501 0.170 3.457 180 HB2 ALA 19 HB2 ALA 19 -14.096 -0.110 4.484 181 HB3 ALA 19 HB3 ALA 19 -15.272 -1.399 4.229 182 H THR 20 H THR 20 -11.822 -0.692 3.835 183 HA THR 20 HA THR 20 -10.999 -3.506 3.615 184 HB THR 20 HB THR 20 -9.446 -1.853 2.650 185 HG1 THR 20 HG1 THR 20 -8.357 -3.575 3.361 186 HG21 THR 20 HG21 THR 20 -8.554 -0.872 5.268 187 HG22 THR 20 HG22 THR 20 -10.067 -0.195 4.667 188 HG23 THR 20 HG23 THR 20 -8.600 -0.066 3.699 189 H ASP 21 H ASP 21 -9.446 -4.095 5.541 190 HA ASP 21 HA ASP 21 -10.900 -3.429 8.014 191 HB2 ASP 21 HB3 ASP 21 -10.588 -5.892 6.942 192 HB3 ASP 21 HB2 ASP 21 -9.155 -5.822 7.963 193 H MET 22 H MET 22 -7.772 -3.588 6.490 194 HA MET 22 HA MET 22 -6.080 -3.464 8.683 195 HB2 MET 22 HB3 MET 22 -5.915 -2.633 5.844 196 HB3 MET 22 HB2 MET 22 -4.737 -1.916 6.935 197 HG2 MET 22 HG3 MET 22 -3.724 -3.833 6.024 198 HG3 MET 22 HG2 MET 22 -4.167 -4.247 7.679 199 HE1 MET 22 HE1 MET 22 -5.012 -4.228 4.095 200 HE2 MET 22 HE2 MET 22 -6.186 -5.516 3.819 201 HE3 MET 22 HE3 MET 22 -4.474 -5.904 3.984 202 H CYS 23 H CYS 23 -8.008 -0.948 7.189 203 HA CYS 23 HA CYS 23 -6.790 1.266 8.447 204 HB2 CYS 23 HB3 CYS 23 -8.790 2.502 7.813 205 HB3 CYS 23 HB2 CYS 23 -8.276 1.464 6.487 206 HG CYS 23 HG CYS 23 -10.447 0.339 6.551 207 H ASN 24 H ASN 24 -9.004 -1.128 9.587 208 HA ASN 24 HA ASN 24 -9.816 0.474 11.877 209 HB2 ASN 24 HB3 ASN 24 -11.040 -1.565 10.436 210 HB3 ASN 24 HB2 ASN 24 -10.590 -2.334 11.955 211 HD21 ASN 24 HD22 ASN 24 -11.884 -2.066 13.633 212 HD22 ASN 24 HD21 ASN 24 -13.146 -0.892 13.755 213 H VAL 25 H VAL 25 -8.101 -2.585 11.263 214 HA VAL 25 HA VAL 25 -7.428 -3.141 13.924 215 HB VAL 25 HB VAL 25 -5.726 -4.642 13.051 216 HG11 VAL 25 HG11 VAL 25 -7.218 -6.131 12.252 217 HG12 VAL 25 HG12 VAL 25 -7.806 -5.033 11.004 218 HG13 VAL 25 HG13 VAL 25 -8.385 -4.874 12.662 219 HG21 VAL 25 HG21 VAL 25 -5.662 -4.675 10.407 220 HG22 VAL 25 HG22 VAL 25 -4.576 -3.648 11.342 221 HG23 VAL 25 HG23 VAL 25 -6.029 -2.964 10.615 222 H GLY 26 H GLY 26 -5.816 -1.177 11.482 223 HA2 GLY 26 HA3 GLY 26 -4.606 0.784 12.394 224 HA3 GLY 26 HA2 GLY 26 -3.898 -0.319 13.564 225 H ALA 27 H ALA 27 -4.369 -0.999 10.142 226 HA ALA 27 HA ALA 27 -1.437 -1.064 9.831 227 HB1 ALA 27 HB1 ALA 27 -2.329 -2.666 7.831 228 HB2 ALA 27 HB2 ALA 27 -3.538 -2.973 9.078 229 HB3 ALA 27 HB3 ALA 27 -1.830 -3.240 9.422 230 H VAL 28 H VAL 28 -3.245 1.210 9.387 231 HA VAL 28 HA VAL 28 -2.538 1.715 6.584 232 HB VAL 28 HB VAL 28 -5.202 2.485 7.785 233 HG11 VAL 28 HG11 VAL 28 -5.443 2.712 5.086 234 HG12 VAL 28 HG12 VAL 28 -3.771 3.217 5.333 235 HG13 VAL 28 HG13 VAL 28 -5.077 4.048 6.178 236 HG21 VAL 28 HG21 VAL 28 -4.906 0.030 7.345 237 HG22 VAL 28 HG22 VAL 28 -4.688 0.432 5.642 238 HG23 VAL 28 HG23 VAL 28 -6.215 0.798 6.447 239 H TRP 29 H TRP 29 -0.857 3.054 7.166 240 HA TRP 29 HA TRP 29 -1.657 5.616 8.360 241 HB2 TRP 29 HB3 TRP 29 0.664 3.868 9.125 242 HB3 TRP 29 HB2 TRP 29 0.751 5.612 9.350 243 HD1 TRP 29 HD1 TRP 29 -1.921 2.916 10.233 244 HE1 TRP 29 HE1 TRP 29 -2.698 3.349 12.647 245 HE3 TRP 29 HE3 TRP 29 0.985 6.983 11.304 246 HZ2 TRP 29 HZ2 TRP 29 -2.153 5.173 14.731 247 HZ3 TRP 29 HZ3 TRP 29 0.796 8.014 13.532 248 HH2 TRP 29 HH2 TRP 29 -0.742 7.125 15.207 249 H LEU 30 H LEU 30 -1.291 7.198 6.965 250 HA LEU 30 HA LEU 30 0.656 6.798 4.821 251 HB2 LEU 30 HB3 LEU 30 -1.839 7.662 4.625 252 HB3 LEU 30 HB2 LEU 30 -1.091 9.208 4.978 253 HG LEU 30 HG LEU 30 -0.309 7.412 2.681 254 HD11 LEU 30 HD11 LEU 30 -2.572 8.315 2.416 255 HD12 LEU 30 HD12 LEU 30 -1.442 9.020 1.259 256 HD13 LEU 30 HD13 LEU 30 -1.946 9.943 2.675 257 HD21 LEU 30 HD21 LEU 30 0.921 9.389 1.900 258 HD22 LEU 30 HD22 LEU 30 1.522 8.807 3.452 259 HD23 LEU 30 HD23 LEU 30 0.488 10.234 3.387 260 H ASN 31 H ASN 31 2.625 7.616 5.005 261 HA ASN 31 HA ASN 31 4.389 8.903 5.640 262 HB2 ASN 31 HB3 ASN 31 2.667 10.605 4.546 263 HB3 ASN 31 HB2 ASN 31 2.617 11.240 6.187 264 HD21 ASN 31 HD22 ASN 31 4.966 11.331 7.154 265 HD22 ASN 31 HD21 ASN 31 6.110 12.147 6.146 266 H GLY 32 H GLY 32 3.526 7.318 7.643 267 HA2 GLY 32 HA3 GLY 32 3.690 7.031 9.914 268 HA3 GLY 32 HA2 GLY 32 4.547 8.564 9.944 269 H SER 33 H SER 33 1.262 8.210 8.779 270 HA SER 33 HA SER 33 0.238 9.404 11.255 271 HB2 SER 33 HB3 SER 33 0.710 10.991 9.118 272 HB3 SER 33 HB2 SER 33 -0.926 10.452 8.738 273 HG SER 33 HG SER 33 -0.189 11.518 11.257 274 H CYS 34 H CYS 34 -1.677 8.602 11.904 275 HA CYS 34 HA CYS 34 -2.715 6.262 10.796 276 HB2 CYS 34 HB3 CYS 34 -3.039 7.412 13.157 277 HB3 CYS 34 HB2 CYS 34 -4.496 8.046 12.397 278 HG CYS 34 HG CYS 34 -4.714 5.631 13.697 279 H ALA 35 H ALA 35 -3.759 5.985 8.947 280 HA ALA 35 HA ALA 35 -5.603 8.101 8.043 281 HB1 ALA 35 HB1 ALA 35 -4.910 6.863 5.724 282 HB2 ALA 35 HB2 ALA 35 -3.400 6.780 6.631 283 HB3 ALA 35 HB3 ALA 35 -4.167 8.341 6.336 284 H LYS 36 H LYS 36 -7.433 7.396 6.813 285 HA LYS 36 HA LYS 36 -8.416 4.811 7.704 286 HB2 LYS 36 HB3 LYS 36 -9.585 7.328 7.241 287 HB3 LYS 36 HB2 LYS 36 -10.265 6.256 6.026 288 HG2 LYS 36 HG3 LYS 36 -10.635 4.656 8.050 289 HG3 LYS 36 HG2 LYS 36 -10.490 6.139 8.995 290 HD2 LYS 36 HD3 LYS 36 -12.201 6.964 7.085 291 HD3 LYS 36 HD2 LYS 36 -12.629 5.254 7.163 292 HE2 LYS 36 HE3 LYS 36 -12.719 7.308 9.354 293 HE3 LYS 36 HE2 LYS 36 -14.041 6.337 8.709 294 HZ1 LYS 36 HZ1 LYS 36 -12.913 4.358 9.620 295 HZ2 LYS 36 HZ2 LYS 36 -13.374 5.460 10.819 296 HZ3 LYS 36 HZ3 LYS 36 -11.756 5.363 10.335 297 H ALA 37 H ALA 37 -10.256 4.306 5.623 298 HA ALA 37 HA ALA 37 -8.431 3.180 3.645 299 HB1 ALA 37 HB1 ALA 37 -11.374 2.629 3.804 300 HB2 ALA 37 HB2 ALA 37 -10.226 1.845 4.888 301 HB3 ALA 37 HB3 ALA 37 -10.092 1.615 3.144 302 H SER 38 H SER 38 -9.174 6.047 3.645 303 HA SER 38 HA SER 38 -10.060 6.172 0.862 304 HB2 SER 38 HB3 SER 38 -11.219 7.977 2.995 305 HB3 SER 38 HB2 SER 38 -11.652 7.937 1.287 306 HG SER 38 HG SER 38 -11.974 5.741 3.050 307 H LYS 39 H LYS 39 -7.504 6.515 2.316 308 HA LYS 39 HA LYS 39 -6.978 9.367 1.999 309 HB2 LYS 39 HB3 LYS 39 -6.124 7.674 3.899 310 HB3 LYS 39 HB2 LYS 39 -4.803 7.493 2.754 311 HG2 LYS 39 HG3 LYS 39 -4.041 9.185 4.112 312 HG3 LYS 39 HG2 LYS 39 -4.762 10.085 2.775 313 HD2 LYS 39 HD3 LYS 39 -6.464 9.406 5.125 314 HD3 LYS 39 HD2 LYS 39 -5.285 10.709 5.282 315 HE2 LYS 39 HE3 LYS 39 -6.406 11.354 2.916 316 HE3 LYS 39 HE2 LYS 39 -7.776 10.579 3.711 317 HZ1 LYS 39 HZ1 LYS 39 -6.915 12.151 5.666 318 HZ2 LYS 39 HZ2 LYS 39 -8.065 12.643 4.526 319 HZ3 LYS 39 HZ3 LYS 39 -6.444 13.085 4.336 320 H GLU 40 H GLU 40 -6.243 10.139 0.141 321 HA GLU 40 HA GLU 40 -5.247 8.341 -1.900 322 HB2 GLU 40 HB3 GLU 40 -6.662 10.748 -1.918 323 HB3 GLU 40 HB2 GLU 40 -5.078 11.163 -2.560 324 HG2 GLU 40 HG3 GLU 40 -5.375 9.166 -4.115 325 HG3 GLU 40 HG2 GLU 40 -7.069 9.192 -3.624 326 H VAL 41 H VAL 41 -3.179 7.792 -1.976 327 HA VAL 41 HA VAL 41 -1.157 9.408 -0.679 328 HB VAL 41 HB VAL 41 0.399 7.586 -1.419 329 HG11 VAL 41 HG11 VAL 41 -1.057 5.791 -0.035 330 HG12 VAL 41 HG12 VAL 41 -1.908 7.277 0.387 331 HG13 VAL 41 HG13 VAL 41 -0.181 7.127 0.712 332 HG21 VAL 41 HG21 VAL 41 -0.234 5.853 -2.723 333 HG22 VAL 41 HG22 VAL 41 -1.434 7.010 -3.300 334 HG23 VAL 41 HG23 VAL 41 -1.874 5.823 -2.073 335 H LYS 42 H LYS 42 0.959 9.748 -1.859 336 HA LYS 42 HA LYS 42 0.528 10.405 -4.691 337 HB2 LYS 42 HB3 LYS 42 1.337 12.209 -2.470 338 HB3 LYS 42 HB2 LYS 42 2.148 12.424 -4.016 339 HG2 LYS 42 HG3 LYS 42 -0.787 12.212 -4.128 340 HG3 LYS 42 HG2 LYS 42 -0.142 13.651 -3.338 341 HD2 LYS 42 HD3 LYS 42 1.078 12.862 -5.922 342 HD3 LYS 42 HD2 LYS 42 -0.560 13.521 -5.970 343 HE2 LYS 42 HE3 LYS 42 0.587 15.304 -4.332 344 HE3 LYS 42 HE2 LYS 42 2.000 14.828 -5.271 345 HZ1 LYS 42 HZ1 LYS 42 1.206 15.798 -7.125 346 HZ2 LYS 42 HZ2 LYS 42 0.319 16.734 -6.029 347 HZ3 LYS 42 HZ3 LYS 42 -0.407 15.410 -6.793 348 H ALA 43 H ALA 43 2.849 11.253 -5.535 349 HA ALA 43 HA ALA 43 4.533 8.947 -5.394 350 HB1 ALA 43 HB1 ALA 43 4.107 10.640 -7.355 351 HB2 ALA 43 HB2 ALA 43 5.665 9.831 -7.183 352 HB3 ALA 43 HB3 ALA 43 5.469 11.493 -6.627 353 H GLY 44 H GLY 44 6.552 8.716 -4.486 354 HA2 GLY 44 HA3 GLY 44 8.322 9.125 -3.075 355 HA3 GLY 44 HA2 GLY 44 7.994 10.840 -3.267 356 H ASP 45 H ASP 45 5.555 8.636 -2.108 357 HA ASP 45 HA ASP 45 5.690 9.967 0.510 358 HB2 ASP 45 HB3 ASP 45 3.476 8.977 -1.183 359 HB3 ASP 45 HB2 ASP 45 3.295 8.695 0.547 360 H THR 46 H THR 46 4.924 8.579 2.375 361 HA THR 46 HA THR 46 6.306 6.000 2.218 362 HB THR 46 HB THR 46 5.361 7.248 4.776 363 HG1 THR 46 HG1 THR 46 7.698 7.951 3.335 364 HG21 THR 46 HG21 THR 46 6.921 5.981 5.821 365 HG22 THR 46 HG22 THR 46 8.010 5.975 4.435 366 HG23 THR 46 HG23 THR 46 6.585 4.935 4.442 367 H ILE 47 H ILE 47 5.358 4.090 2.858 368 HA ILE 47 HA ILE 47 2.455 4.171 3.365 369 HB ILE 47 HB ILE 47 3.943 2.151 1.672 370 HG12 ILE 47 HG13 ILE 47 3.636 4.352 0.583 371 HG13 ILE 47 HG12 ILE 47 2.702 3.083 -0.205 372 HG21 ILE 47 HG21 ILE 47 1.334 1.707 1.163 373 HG22 ILE 47 HG22 ILE 47 1.240 2.194 2.855 374 HG23 ILE 47 HG23 ILE 47 2.253 0.830 2.385 375 HD11 ILE 47 HD11 ILE 47 1.818 5.532 1.056 376 HD12 ILE 47 HD12 ILE 47 0.951 4.119 1.655 377 HD13 ILE 47 HD13 ILE 47 0.977 4.470 -0.073 378 H SER 48 H SER 48 2.460 3.760 5.534 379 HA SER 48 HA SER 48 4.189 1.747 6.669 380 HB2 SER 48 HB3 SER 48 2.035 2.694 8.397 381 HB3 SER 48 HB2 SER 48 3.781 2.777 8.624 382 HG SER 48 HG SER 48 2.680 4.843 8.409 383 H LEU 49 H LEU 49 3.546 -0.173 7.665 384 HA LEU 49 HA LEU 49 0.796 -1.074 7.298 385 HB2 LEU 49 HB3 LEU 49 3.083 -1.995 5.724 386 HB3 LEU 49 HB2 LEU 49 2.221 -3.303 6.511 387 HG LEU 49 HG LEU 49 0.737 -1.258 4.893 388 HD11 LEU 49 HD11 LEU 49 2.221 -1.930 3.254 389 HD12 LEU 49 HD12 LEU 49 0.906 -3.091 3.067 390 HD13 LEU 49 HD13 LEU 49 2.379 -3.557 3.917 391 HD21 LEU 49 HD21 LEU 49 -0.159 -3.224 6.490 392 HD22 LEU 49 HD22 LEU 49 0.001 -4.115 4.976 393 HD23 LEU 49 HD23 LEU 49 -1.016 -2.675 5.050 394 H HIS 50 H HIS 50 0.120 -2.392 8.906 395 HA HIS 50 HA HIS 50 2.078 -3.054 10.982 396 HB2 HIS 50 HB3 HIS 50 -0.027 -1.756 11.526 397 HB3 HIS 50 HB2 HIS 50 -0.931 -3.227 11.182 398 HD1 HIS 50 HD1 HIS 50 1.790 -2.008 13.532 399 HD2 HIS 50 HD2 HIS 50 -1.168 -4.916 13.300 400 HE1 HIS 50 HE1 HIS 50 1.772 -3.128 15.783 401 HE2 HIS 50 HE2 HIS 50 0.051 -4.956 15.581 402 H TYR 51 H TYR 51 2.759 -5.066 11.277 403 HA TYR 51 HA TYR 51 1.125 -7.275 10.214 404 HB2 TYR 51 HB3 TYR 51 4.046 -6.715 9.897 405 HB3 TYR 51 HB2 TYR 51 3.503 -8.388 9.969 406 HD1 TYR 51 HD2 TYR 51 2.384 -5.241 8.276 407 HD2 TYR 51 HD1 TYR 51 3.239 -9.394 7.919 408 HE1 TYR 51 HE2 TYR 51 1.802 -5.149 5.888 409 HE2 TYR 51 HE1 TYR 51 2.660 -9.312 5.529 410 HH TYR 51 HH TYR 51 1.348 -7.947 3.998 411 H LEU 52 H LEU 52 2.020 -9.448 11.162 412 HA LEU 52 HA LEU 52 1.636 -9.303 13.981 413 HB2 LEU 52 HB3 LEU 52 1.970 -11.743 13.929 414 HB3 LEU 52 HB2 LEU 52 0.793 -11.195 12.751 415 HG LEU 52 HG LEU 52 2.944 -11.216 11.169 416 HD11 LEU 52 HD11 LEU 52 4.107 -12.169 13.404 417 HD12 LEU 52 HD12 LEU 52 4.639 -12.571 11.771 418 HD13 LEU 52 HD13 LEU 52 3.586 -13.677 12.652 419 HD21 LEU 52 HD21 LEU 52 1.240 -12.456 10.338 420 HD22 LEU 52 HD22 LEU 52 0.913 -13.245 11.880 421 HD23 LEU 52 HD23 LEU 52 2.265 -13.784 10.884 422 H LYS 53 H LYS 53 4.417 -10.118 11.928 423 HA LYS 53 HA LYS 53 6.200 -10.585 14.086 424 HB2 LYS 53 HB3 LYS 53 7.966 -10.480 12.371 425 HB3 LYS 53 HB2 LYS 53 6.629 -11.510 11.879 426 HG2 LYS 53 HG3 LYS 53 5.874 -9.125 10.825 427 HG3 LYS 53 HG2 LYS 53 7.631 -9.025 10.700 428 HD2 LYS 53 HD3 LYS 53 7.541 -10.313 8.890 429 HD3 LYS 53 HD2 LYS 53 6.912 -11.626 9.886 430 HE2 LYS 53 HE3 LYS 53 4.798 -11.339 9.158 431 HE3 LYS 53 HE2 LYS 53 4.945 -9.583 9.104 432 HZ1 LYS 53 HZ1 LYS 53 5.637 -9.615 6.969 433 HZ2 LYS 53 HZ2 LYS 53 4.785 -11.077 6.933 434 HZ3 LYS 53 HZ3 LYS 53 6.465 -11.081 7.123 435 H GLY 54 H GLY 54 5.240 -7.735 12.308 436 HA2 GLY 54 HA3 GLY 54 6.012 -5.912 14.243 437 HA3 GLY 54 HA2 GLY 54 7.380 -6.060 13.151 438 H ILE 55 H ILE 55 7.092 -3.838 12.596 439 HA ILE 55 HA ILE 55 4.827 -3.391 10.758 440 HB ILE 55 HB ILE 55 6.267 -1.155 12.158 441 HG12 ILE 55 HG13 ILE 55 4.140 -1.181 13.657 442 HG13 ILE 55 HG12 ILE 55 4.013 -2.870 13.171 443 HG21 ILE 55 HG21 ILE 55 4.539 0.193 11.433 444 HG22 ILE 55 HG22 ILE 55 3.419 -1.157 11.257 445 HG23 ILE 55 HG23 ILE 55 4.718 -0.931 10.086 446 HD11 ILE 55 HD11 ILE 55 5.851 -3.491 14.364 447 HD12 ILE 55 HD12 ILE 55 5.272 -2.157 15.361 448 HD13 ILE 55 HD13 ILE 55 6.609 -1.903 14.238 449 H GLU 56 H GLU 56 5.280 -2.743 8.736 450 HA GLU 56 HA GLU 56 8.032 -1.905 8.124 451 HB2 GLU 56 HB3 GLU 56 6.374 -3.777 6.428 452 HB3 GLU 56 HB2 GLU 56 8.012 -3.234 6.093 453 HG2 GLU 56 HG3 GLU 56 8.477 -4.311 8.455 454 HG3 GLU 56 HG2 GLU 56 7.038 -5.243 8.045 455 H GLU 57 H GLU 57 8.109 -0.035 7.084 456 HA GLU 57 HA GLU 57 5.672 0.902 5.731 457 HB2 GLU 57 HB3 GLU 57 6.639 3.195 6.053 458 HB3 GLU 57 HB2 GLU 57 6.213 2.360 7.540 459 HG2 GLU 57 HG3 GLU 57 8.314 2.360 8.281 460 HG3 GLU 57 HG2 GLU 57 8.969 1.916 6.707 461 H TYR 58 H TYR 58 5.697 1.145 3.618 462 HA TYR 58 HA TYR 58 8.222 0.893 2.178 463 HB2 TYR 58 HB3 TYR 58 5.384 0.857 1.127 464 HB3 TYR 58 HB2 TYR 58 6.836 0.489 0.202 465 HD1 TYR 58 HD1 TYR 58 4.927 -0.641 3.199 466 HD2 TYR 58 HD2 TYR 58 7.569 -1.711 0.041 467 HE1 TYR 58 HE1 TYR 58 4.732 -3.006 3.845 468 HE2 TYR 58 HE2 TYR 58 7.380 -4.079 0.677 469 HH TYR 58 HH TYR 58 5.010 -5.237 2.774 470 H THR 59 H THR 59 8.019 2.174 -0.069 471 HA THR 59 HA THR 59 7.170 4.927 0.471 472 HB THR 59 HB THR 59 9.919 4.126 -0.502 473 HG1 THR 59 HG1 THR 59 9.142 5.540 1.827 474 HG21 THR 59 HG21 THR 59 10.497 6.415 -0.634 475 HG22 THR 59 HG22 THR 59 8.938 6.914 0.023 476 HG23 THR 59 HG23 THR 59 9.027 6.196 -1.585 477 H ILE 60 H ILE 60 6.090 5.773 -1.182 478 HA ILE 60 HA ILE 60 5.796 4.296 -3.627 479 HB ILE 60 HB ILE 60 4.742 7.057 -3.018 480 HG12 ILE 60 HG13 ILE 60 3.050 4.617 -2.732 481 HG13 ILE 60 HG12 ILE 60 4.182 4.987 -1.435 482 HG21 ILE 60 HG21 ILE 60 2.914 5.813 -4.604 483 HG22 ILE 60 HG22 ILE 60 4.428 5.150 -5.220 484 HG23 ILE 60 HG23 ILE 60 4.180 6.896 -5.183 485 HD11 ILE 60 HD11 ILE 60 2.282 7.056 -2.461 486 HD12 ILE 60 HD12 ILE 60 3.108 6.976 -0.906 487 HD13 ILE 60 HD13 ILE 60 1.785 5.865 -1.260 488 H LEU 61 H LEU 61 6.858 4.573 -5.478 489 HA LEU 61 HA LEU 61 8.781 6.768 -5.659 490 HB2 LEU 61 HB3 LEU 61 8.501 4.244 -7.290 491 HB3 LEU 61 HB2 LEU 61 9.751 5.452 -7.522 492 HG LEU 61 HG LEU 61 9.371 3.844 -4.994 493 HD11 LEU 61 HD11 LEU 61 11.726 3.024 -5.974 494 HD12 LEU 61 HD12 LEU 61 10.869 3.331 -7.484 495 HD13 LEU 61 HD13 LEU 61 10.201 2.204 -6.304 496 HD21 LEU 61 HD21 LEU 61 10.963 5.091 -4.049 497 HD22 LEU 61 HD22 LEU 61 10.653 6.256 -5.335 498 HD23 LEU 61 HD23 LEU 61 11.958 5.082 -5.504 499 H GLN 62 H GLN 62 5.731 5.868 -6.866 500 HA GLN 62 HA GLN 62 5.422 8.212 -8.375 501 HB2 GLN 62 HB3 GLN 62 6.981 6.693 -9.829 502 HB3 GLN 62 HB2 GLN 62 5.491 5.837 -10.200 503 HG2 GLN 62 HG3 GLN 62 4.996 8.606 -10.522 504 HG3 GLN 62 HG2 GLN 62 6.508 8.226 -11.343 505 HE21 GLN 62 HE22 GLN 62 3.155 8.162 -11.526 506 HE22 GLN 62 HE21 GLN 62 2.995 7.197 -12.950 507 H ILE 63 H ILE 63 3.332 8.313 -9.483 508 HA ILE 63 HA ILE 63 1.443 6.275 -8.501 509 HB ILE 63 HB ILE 63 0.805 9.208 -8.791 510 HG12 ILE 63 HG13 ILE 63 2.497 8.869 -7.028 511 HG13 ILE 63 HG12 ILE 63 0.946 9.362 -6.356 512 HG21 ILE 63 HG21 ILE 63 -0.896 7.119 -8.752 513 HG22 ILE 63 HG22 ILE 63 -1.291 8.720 -8.126 514 HG23 ILE 63 HG23 ILE 63 -0.761 7.449 -7.024 515 HD11 ILE 63 HD11 ILE 63 0.479 7.081 -5.702 516 HD12 ILE 63 HD12 ILE 63 2.026 7.607 -5.039 517 HD13 ILE 63 HD13 ILE 63 1.984 6.540 -6.443 518 HA PRO 64 HA PRO 64 1.002 6.439 -13.077 519 HB2 PRO 64 HB2 PRO 64 0.307 3.828 -13.341 520 HB3 PRO 64 HB3 PRO 64 1.987 4.370 -13.249 521 HG2 PRO 64 HG3 PRO 64 0.247 3.223 -11.098 522 HG3 PRO 64 HG2 PRO 64 1.944 2.870 -11.473 523 HD2 PRO 64 HD3 PRO 64 1.215 4.523 -9.461 524 HD3 PRO 64 HD2 PRO 64 2.708 4.756 -10.392 525 H ALA 65 H ALA 65 -1.100 5.798 -10.468 526 HA ALA 65 HA ALA 65 -3.356 5.917 -10.212 527 HB1 ALA 65 HB1 ALA 65 -4.616 7.276 -11.809 528 HB2 ALA 65 HB2 ALA 65 -3.243 7.249 -12.916 529 HB3 ALA 65 HB3 ALA 65 -3.100 8.055 -11.353 530 H LEU 66 H LEU 66 -2.619 3.459 -10.838 531 HA LEU 66 HA LEU 66 -4.320 2.561 -13.057 532 HB2 LEU 66 HB3 LEU 66 -2.411 0.832 -11.511 533 HB3 LEU 66 HB2 LEU 66 -3.066 0.569 -13.117 534 HG LEU 66 HG LEU 66 -1.161 2.813 -12.470 535 HD11 LEU 66 HD11 LEU 66 -0.663 -0.045 -13.019 536 HD12 LEU 66 HD12 LEU 66 0.304 1.127 -12.125 537 HD13 LEU 66 HD13 LEU 66 0.342 1.115 -13.887 538 HD21 LEU 66 HD21 LEU 66 -2.779 2.582 -14.594 539 HD22 LEU 66 HD22 LEU 66 -1.407 1.631 -15.165 540 HD23 LEU 66 HD23 LEU 66 -1.173 3.310 -14.676 541 H LYS 67 H LYS 67 -5.185 0.198 -12.536 542 HA LYS 67 HA LYS 67 -6.687 0.445 -10.018 543 HB2 LYS 67 HB3 LYS 67 -7.380 -0.546 -12.730 544 HB3 LYS 67 HB2 LYS 67 -8.106 -1.387 -11.368 545 HG2 LYS 67 HG3 LYS 67 -9.149 0.609 -10.592 546 HG3 LYS 67 HG2 LYS 67 -8.259 1.591 -11.757 547 HD2 LYS 67 HD3 LYS 67 -9.487 0.752 -13.571 548 HD3 LYS 67 HD2 LYS 67 -10.093 -0.617 -12.637 549 HE2 LYS 67 HE3 LYS 67 -11.087 1.388 -11.167 550 HE3 LYS 67 HE2 LYS 67 -11.032 2.187 -12.737 551 HZ1 LYS 67 HZ1 LYS 67 -13.021 1.218 -12.996 552 HZ2 LYS 67 HZ2 LYS 67 -12.740 0.040 -11.814 553 HZ3 LYS 67 HZ3 LYS 67 -12.127 -0.167 -13.377 554 H ASN 68 H ASN 68 -4.671 -1.663 -11.939 555 HA ASN 68 HA ASN 68 -4.102 -3.289 -9.639 556 HB2 ASN 68 HB3 ASN 68 -6.179 -4.131 -11.369 557 HB3 ASN 68 HB2 ASN 68 -4.797 -5.173 -11.692 558 HD21 ASN 68 HD22 ASN 68 -4.289 -6.730 -10.277 559 HD22 ASN 68 HD21 ASN 68 -5.099 -6.995 -8.774 560 H VAL 69 H VAL 69 -1.972 -3.458 -9.719 561 HA VAL 69 HA VAL 69 -0.553 -3.262 -12.231 562 HB VAL 69 HB VAL 69 0.616 -3.727 -9.488 563 HG11 VAL 69 HG11 VAL 69 1.819 -2.550 -11.991 564 HG12 VAL 69 HG12 VAL 69 2.118 -4.176 -11.373 565 HG13 VAL 69 HG13 VAL 69 2.635 -2.769 -10.444 566 HG21 VAL 69 HG21 VAL 69 1.030 -1.200 -9.628 567 HG22 VAL 69 HG22 VAL 69 -0.594 -1.746 -9.213 568 HG23 VAL 69 HG23 VAL 69 -0.240 -1.195 -10.851 569 HA PRO 70 HA PRO 70 -0.239 -7.625 -12.983 570 HB2 PRO 70 HB2 PRO 70 2.156 -7.586 -14.359 571 HB3 PRO 70 HB3 PRO 70 0.578 -7.250 -15.075 572 HG2 PRO 70 HG3 PRO 70 2.668 -5.342 -14.114 573 HG3 PRO 70 HG2 PRO 70 1.643 -5.250 -15.558 574 HD2 PRO 70 HD3 PRO 70 1.107 -3.797 -13.370 575 HD3 PRO 70 HD2 PRO 70 -0.194 -4.494 -14.357 576 H ARG 71 H ARG 71 1.745 -9.289 -12.986 577 HA ARG 71 HA ARG 71 2.935 -9.027 -10.325 578 HB2 ARG 71 HB3 ARG 71 1.720 -11.166 -11.735 579 HB3 ARG 71 HB2 ARG 71 3.405 -11.597 -11.484 580 HG2 ARG 71 HG3 ARG 71 1.890 -10.513 -9.176 581 HG3 ARG 71 HG2 ARG 71 1.540 -12.158 -9.708 582 HD2 ARG 71 HD3 ARG 71 3.266 -12.768 -8.428 583 HD3 ARG 71 HD2 ARG 71 4.284 -12.095 -9.700 584 HE ARG 71 HE ARG 71 4.827 -10.365 -8.304 585 HH11 ARG 71 HH11 ARG 71 2.024 -12.006 -7.028 586 HH12 ARG 71 HH12 ARG 71 2.031 -11.124 -5.538 587 HH21 ARG 71 HH22 ARG 71 4.838 -9.204 -6.344 588 HH22 ARG 71 HH21 ARG 71 3.628 -9.533 -5.150 589 H LYS 72 H LYS 72 4.045 -7.592 -12.571 590 HA LYS 72 HA LYS 72 6.744 -8.732 -12.499 591 HB2 LYS 72 HB3 LYS 72 5.071 -8.519 -14.838 592 HB3 LYS 72 HB2 LYS 72 6.504 -7.518 -15.026 593 HG2 LYS 72 HG3 LYS 72 6.512 -10.443 -14.313 594 HG3 LYS 72 HG2 LYS 72 6.810 -9.778 -15.921 595 HD2 LYS 72 HD3 LYS 72 8.443 -9.016 -13.510 596 HD3 LYS 72 HD2 LYS 72 8.859 -10.375 -14.557 597 HE2 LYS 72 HE3 LYS 72 8.441 -8.350 -16.355 598 HE3 LYS 72 HE2 LYS 72 9.166 -7.500 -14.992 599 HZ1 LYS 72 HZ1 LYS 72 10.337 -9.450 -16.794 600 HZ2 LYS 72 HZ2 LYS 72 10.771 -9.613 -15.166 601 HZ3 LYS 72 HZ3 LYS 72 11.060 -8.158 -15.978 602 H ASP 73 H ASP 73 4.757 -5.921 -13.374 603 HA ASP 73 HA ASP 73 7.027 -4.157 -12.815 604 HB2 ASP 73 HB3 ASP 73 4.372 -3.719 -14.173 605 HB3 ASP 73 HB2 ASP 73 5.427 -2.384 -13.724 606 H THR 74 H THR 74 5.568 -5.570 -10.702 607 HA THR 74 HA THR 74 4.168 -3.392 -9.336 608 HB THR 74 HB THR 74 3.022 -5.534 -9.358 609 HG1 THR 74 HG1 THR 74 4.088 -5.052 -6.777 610 HG21 THR 74 HG21 THR 74 5.500 -6.612 -8.045 611 HG22 THR 74 HG22 THR 74 4.774 -7.123 -9.569 612 HG23 THR 74 HG23 THR 74 3.942 -7.440 -8.046 613 H HIS 75 H HIS 75 7.066 -3.364 -9.720 614 HA HIS 75 HA HIS 75 7.814 -3.067 -6.909 615 HB2 HIS 75 HB3 HIS 75 9.318 -4.697 -8.950 616 HB3 HIS 75 HB2 HIS 75 10.094 -4.055 -7.506 617 HD1 HIS 75 HD1 HIS 75 9.606 -7.138 -8.221 618 HD2 HIS 75 HD2 HIS 75 7.436 -4.832 -5.531 619 HE1 HIS 75 HE1 HIS 75 8.570 -8.773 -6.616 620 HE2 HIS 75 HE2 HIS 75 7.336 -7.349 -4.945 621 H LEU 76 H LEU 76 7.199 -1.329 -9.318 622 HA LEU 76 HA LEU 76 9.703 0.224 -9.282 623 HB2 LEU 76 HB3 LEU 76 7.839 -0.450 -11.488 624 HB3 LEU 76 HB2 LEU 76 8.524 1.164 -11.494 625 HG LEU 76 HG LEU 76 10.321 -1.217 -11.223 626 HD11 LEU 76 HD11 LEU 76 8.791 -0.384 -13.608 627 HD12 LEU 76 HD12 LEU 76 9.450 -1.960 -13.171 628 HD13 LEU 76 HD13 LEU 76 10.506 -0.719 -13.845 629 HD21 LEU 76 HD21 LEU 76 11.989 0.236 -11.677 630 HD22 LEU 76 HD22 LEU 76 10.826 1.418 -11.075 631 HD23 LEU 76 HD23 LEU 76 11.013 1.171 -12.811 632 H TYR 77 H TYR 77 6.536 0.169 -8.244 633 HA TYR 77 HA TYR 77 6.301 3.098 -8.294 634 HB2 TYR 77 HB3 TYR 77 4.161 1.041 -7.707 635 HB3 TYR 77 HB2 TYR 77 3.923 2.779 -7.851 636 HD1 TYR 77 HD1 TYR 77 5.082 3.676 -10.204 637 HD2 TYR 77 HD2 TYR 77 3.363 -0.152 -9.498 638 HE1 TYR 77 HE1 TYR 77 4.672 3.423 -12.615 639 HE2 TYR 77 HE2 TYR 77 2.949 -0.416 -11.908 640 HH TYR 77 HH TYR 77 2.662 1.015 -13.895 641 H ILE 78 H ILE 78 6.857 0.402 -6.247 642 HA ILE 78 HA ILE 78 7.055 2.170 -3.950 643 HB ILE 78 HB ILE 78 4.745 1.370 -3.818 644 HG12 ILE 78 HG13 ILE 78 6.278 -0.121 -1.705 645 HG13 ILE 78 HG12 ILE 78 6.330 1.637 -1.780 646 HG21 ILE 78 HG21 ILE 78 6.028 -1.202 -4.391 647 HG22 ILE 78 HG22 ILE 78 4.388 -0.647 -4.730 648 HG23 ILE 78 HG23 ILE 78 4.798 -1.258 -3.128 649 HD11 ILE 78 HD11 ILE 78 4.313 -0.085 -0.696 650 HD12 ILE 78 HD12 ILE 78 3.627 0.966 -1.935 651 HD13 ILE 78 HD13 ILE 78 4.487 1.665 -0.562 652 H ALA 79 H ALA 79 8.383 1.364 -2.287 653 HA ALA 79 HA ALA 79 9.612 -1.248 -2.627 654 HB1 ALA 79 HB1 ALA 79 10.855 0.660 -3.946 655 HB2 ALA 79 HB2 ALA 79 11.756 -0.574 -3.065 656 HB3 ALA 79 HB3 ALA 79 11.517 1.021 -2.352 657 HA PRO 80 HA PRO 80 9.371 -1.237 1.797 658 HB2 PRO 80 HB2 PRO 80 11.897 -2.804 1.645 659 HB3 PRO 80 HB3 PRO 80 10.380 -3.189 2.465 660 HG2 PRO 80 HG3 PRO 80 11.045 -4.409 0.193 661 HG3 PRO 80 HG2 PRO 80 9.366 -3.941 0.520 662 HD2 PRO 80 HD3 PRO 80 11.379 -2.657 -1.274 663 HD3 PRO 80 HD2 PRO 80 9.628 -2.851 -1.496 664 H LYS 81 H LYS 81 9.981 0.319 3.152 665 HA LYS 81 HA LYS 81 12.775 1.232 3.104 666 HB2 LYS 81 HB3 LYS 81 11.121 2.785 1.899 667 HB3 LYS 81 HB2 LYS 81 10.476 3.138 3.496 668 HG2 LYS 81 HG3 LYS 81 13.092 3.554 3.952 669 HG3 LYS 81 HG2 LYS 81 13.003 3.980 2.242 670 HD2 LYS 81 HD3 LYS 81 10.794 5.230 3.272 671 HD3 LYS 81 HD2 LYS 81 11.958 5.381 4.590 672 HE2 LYS 81 HE3 LYS 81 13.534 6.053 2.532 673 HE3 LYS 81 HE2 LYS 81 11.980 6.569 1.880 674 HZ1 LYS 81 HZ1 LYS 81 11.697 7.751 4.103 675 HZ2 LYS 81 HZ2 LYS 81 12.786 8.425 2.997 676 HZ3 LYS 81 HZ3 LYS 81 13.360 7.525 4.309 677 H THR 82 H THR 82 12.559 -0.451 4.922 678 HA THR 82 HA THR 82 12.144 1.030 7.411 679 HB THR 82 HB THR 82 11.285 -1.802 7.482 680 HG1 THR 82 HG1 THR 82 9.835 0.210 6.130 681 HG21 THR 82 HG21 THR 82 11.149 0.184 9.275 682 HG22 THR 82 HG22 THR 82 10.034 -1.183 9.239 683 HG23 THR 82 HG23 THR 82 9.571 0.355 8.508 684 H LYS 83 H LYS 83 13.299 0.157 9.226 685 HA LYS 83 HA LYS 83 15.148 -2.017 8.811 686 HB2 LYS 83 HB3 LYS 83 16.194 0.794 9.195 687 HB3 LYS 83 HB2 LYS 83 17.169 -0.668 9.232 688 HG2 LYS 83 HG3 LYS 83 16.466 -1.110 6.881 689 HG3 LYS 83 HG2 LYS 83 15.683 0.472 6.878 690 HD2 LYS 83 HD3 LYS 83 18.527 0.323 7.728 691 HD3 LYS 83 HD2 LYS 83 18.166 0.135 6.011 692 HE2 LYS 83 HE3 LYS 83 18.491 2.421 6.220 693 HE3 LYS 83 HE2 LYS 83 16.738 2.266 6.319 694 HZ1 LYS 83 HZ1 LYS 83 16.766 2.619 8.608 695 HZ2 LYS 83 HZ2 LYS 83 17.889 3.740 8.020 696 HZ3 LYS 83 HZ3 LYS 83 18.422 2.309 8.747 697 H GLU 84 H GLU 84 13.005 -1.427 10.636 698 HA GLU 84 HA GLU 84 14.040 -0.592 13.149 699 HB2 GLU 84 HB3 GLU 84 11.502 -1.602 12.098 700 HB3 GLU 84 HB2 GLU 84 11.832 -2.140 13.739 701 HG2 GLU 84 HG3 GLU 84 11.759 -0.015 14.600 702 HG3 GLU 84 HG2 GLU 84 12.171 0.740 13.061 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -2.729 7.538 -5.856 2 H2 MET 1 H2 MET 1 -4.225 8.338 -6.100 3 H3 MET 1 H3 MET 1 -3.474 7.510 -7.403 4 HA MET 1 HA MET 1 -5.249 6.218 -6.606 5 HB2 MET 1 HB3 MET 1 -2.486 5.452 -6.621 6 HB3 MET 1 HB2 MET 1 -3.328 4.507 -5.402 7 HG2 MET 1 HG3 MET 1 -4.619 4.756 -8.052 8 HG3 MET 1 HG2 MET 1 -3.166 3.765 -7.943 9 HE1 MET 1 HE1 MET 1 -6.903 2.540 -8.096 10 HE2 MET 1 HE2 MET 1 -6.586 4.239 -7.741 11 HE3 MET 1 HE3 MET 1 -7.312 3.201 -6.512 12 H ARG 2 H ARG 2 -5.402 4.413 -4.663 13 HA ARG 2 HA ARG 2 -5.449 5.972 -2.161 14 HB2 ARG 2 HB3 ARG 2 -7.456 3.827 -2.818 15 HB3 ARG 2 HB2 ARG 2 -7.553 5.073 -1.581 16 HG2 ARG 2 HG3 ARG 2 -7.689 5.543 -4.553 17 HG3 ARG 2 HG2 ARG 2 -9.063 5.520 -3.446 18 HD2 ARG 2 HD3 ARG 2 -7.975 7.390 -2.191 19 HD3 ARG 2 HD2 ARG 2 -6.766 7.470 -3.471 20 HE ARG 2 HE ARG 2 -8.301 8.508 -4.820 21 HH11 ARG 2 HH11 ARG 2 -9.949 7.130 -2.069 22 HH12 ARG 2 HH12 ARG 2 -11.456 7.902 -2.427 23 HH21 ARG 2 HH22 ARG 2 -10.284 9.523 -5.293 24 HH22 ARG 2 HH21 ARG 2 -11.647 9.260 -4.259 25 H ILE 3 H ILE 3 -4.570 5.047 -0.406 26 HA ILE 3 HA ILE 3 -2.815 2.953 -0.496 27 HB ILE 3 HB ILE 3 -2.962 4.536 1.369 28 HG12 ILE 3 HG13 ILE 3 -1.894 2.178 1.470 29 HG13 ILE 3 HG12 ILE 3 -2.105 3.075 2.966 30 HG21 ILE 3 HG21 ILE 3 -5.610 3.347 1.662 31 HG22 ILE 3 HG22 ILE 3 -5.001 4.913 2.195 32 HG23 ILE 3 HG23 ILE 3 -4.719 3.477 3.178 33 HD11 ILE 3 HD11 ILE 3 -2.971 0.482 2.373 34 HD12 ILE 3 HD12 ILE 3 -4.425 1.473 2.465 35 HD13 ILE 3 HD13 ILE 3 -3.304 1.426 3.825 36 H ASP 4 H ASP 4 -6.277 2.770 -0.212 37 HA ASP 4 HA ASP 4 -6.477 0.153 0.813 38 HB2 ASP 4 HB3 ASP 4 -8.381 1.697 0.780 39 HB3 ASP 4 HB2 ASP 4 -8.398 1.656 -0.980 40 H LYS 5 H LYS 5 -6.896 1.269 -2.556 41 HA LYS 5 HA LYS 5 -6.511 -1.455 -3.500 42 HB2 LYS 5 HB3 LYS 5 -7.521 1.085 -4.679 43 HB3 LYS 5 HB2 LYS 5 -6.839 -0.112 -5.773 44 HG2 LYS 5 HG3 LYS 5 -8.757 -1.184 -3.832 45 HG3 LYS 5 HG2 LYS 5 -9.430 -0.030 -4.984 46 HD2 LYS 5 HD3 LYS 5 -8.269 -1.400 -6.790 47 HD3 LYS 5 HD2 LYS 5 -8.029 -2.630 -5.547 48 HE2 LYS 5 HE3 LYS 5 -10.630 -1.555 -6.614 49 HE3 LYS 5 HE2 LYS 5 -10.014 -3.204 -6.723 50 HZ1 LYS 5 HZ1 LYS 5 -10.793 -1.826 -4.209 51 HZ2 LYS 5 HZ2 LYS 5 -10.237 -3.419 -4.336 52 HZ3 LYS 5 HZ3 LYS 5 -11.721 -2.984 -5.020 53 H PHE 6 H PHE 6 -4.481 1.080 -2.775 54 HA PHE 6 HA PHE 6 -2.726 0.976 -5.017 55 HB2 PHE 6 HB3 PHE 6 -2.925 2.906 -3.417 56 HB3 PHE 6 HB2 PHE 6 -2.062 1.932 -2.231 57 HD1 PHE 6 HD2 PHE 6 -1.724 3.108 -5.753 58 HD2 PHE 6 HD1 PHE 6 0.220 2.162 -2.087 59 HE1 PHE 6 HE2 PHE 6 0.416 3.877 -6.694 60 HE2 PHE 6 HE1 PHE 6 2.363 2.931 -3.021 61 HZ PHE 6 HZ PHE 6 2.462 3.789 -5.328 62 H LEU 7 H LEU 7 -2.049 0.005 -1.644 63 HA LEU 7 HA LEU 7 0.080 -1.705 -2.546 64 HB2 LEU 7 HB3 LEU 7 0.497 -2.116 -0.195 65 HB3 LEU 7 HB2 LEU 7 0.328 -0.401 -0.513 66 HG LEU 7 HG LEU 7 -2.124 -0.724 0.258 67 HD11 LEU 7 HD11 LEU 7 -1.499 -2.718 2.168 68 HD12 LEU 7 HD12 LEU 7 -1.117 -3.371 0.577 69 HD13 LEU 7 HD13 LEU 7 -2.733 -2.754 0.912 70 HD21 LEU 7 HD21 LEU 7 -1.334 -0.572 2.677 71 HD22 LEU 7 HD22 LEU 7 -0.697 0.623 1.546 72 HD23 LEU 7 HD23 LEU 7 0.298 -0.747 2.034 73 H GLN 8 H GLN 8 -3.242 -2.121 -2.116 74 HA GLN 8 HA GLN 8 -3.035 -4.941 -1.435 75 HB2 GLN 8 HB3 GLN 8 -5.456 -3.234 -2.015 76 HB3 GLN 8 HB2 GLN 8 -5.496 -4.899 -1.450 77 HG2 GLN 8 HG3 GLN 8 -4.223 -4.136 0.573 78 HG3 GLN 8 HG2 GLN 8 -4.491 -2.482 0.025 79 HE21 GLN 8 HE22 GLN 8 -6.256 -5.477 0.710 80 HE22 GLN 8 HE21 GLN 8 -7.647 -4.709 1.389 81 H SER 9 H SER 9 -3.042 -3.037 -4.238 82 HA SER 9 HA SER 9 -3.887 -5.343 -5.866 83 HB2 SER 9 HB3 SER 9 -4.783 -3.915 -7.471 84 HB3 SER 9 HB2 SER 9 -5.169 -3.068 -5.974 85 HG SER 9 HG SER 9 -3.219 -1.838 -6.333 86 H VAL 10 H VAL 10 -1.200 -4.682 -4.725 87 HA VAL 10 HA VAL 10 0.289 -4.554 -7.265 88 HB VAL 10 HB VAL 10 2.227 -3.757 -5.807 89 HG11 VAL 10 HG11 VAL 10 -0.111 -2.259 -6.758 90 HG12 VAL 10 HG12 VAL 10 1.605 -2.019 -7.088 91 HG13 VAL 10 HG13 VAL 10 0.898 -1.400 -5.595 92 HG21 VAL 10 HG21 VAL 10 1.358 -4.293 -3.634 93 HG22 VAL 10 HG22 VAL 10 -0.057 -3.275 -3.901 94 HG23 VAL 10 HG23 VAL 10 1.541 -2.543 -3.751 95 H GLY 11 H GLY 11 0.223 -5.898 -3.989 96 HA2 GLY 11 HA3 GLY 11 0.597 -8.470 -4.284 97 HA3 GLY 11 HA2 GLY 11 2.194 -7.921 -4.770 98 H LEU 12 H LEU 12 0.086 -6.680 -2.205 99 HA LEU 12 HA LEU 12 2.131 -7.486 -0.246 100 HB2 LEU 12 HB3 LEU 12 1.035 -4.866 -0.863 101 HB3 LEU 12 HB2 LEU 12 0.826 -5.277 0.827 102 HG LEU 12 HG LEU 12 3.456 -5.265 -0.654 103 HD11 LEU 12 HD11 LEU 12 2.100 -3.285 1.134 104 HD12 LEU 12 HD12 LEU 12 2.911 -3.023 -0.410 105 HD13 LEU 12 HD13 LEU 12 3.859 -3.362 1.039 106 HD21 LEU 12 HD21 LEU 12 2.904 -6.814 1.454 107 HD22 LEU 12 HD22 LEU 12 3.303 -5.319 2.299 108 HD23 LEU 12 HD23 LEU 12 4.477 -6.055 1.209 109 H VAL 13 H VAL 13 -1.274 -6.616 -0.727 110 HA VAL 13 HA VAL 13 -1.964 -8.400 1.519 111 HB VAL 13 HB VAL 13 -3.586 -6.031 0.586 112 HG11 VAL 13 HG11 VAL 13 -4.753 -7.957 1.714 113 HG12 VAL 13 HG12 VAL 13 -4.932 -6.391 2.503 114 HG13 VAL 13 HG13 VAL 13 -3.807 -7.583 3.154 115 HG21 VAL 13 HG21 VAL 13 -1.631 -5.087 1.505 116 HG22 VAL 13 HG22 VAL 13 -1.570 -6.280 2.804 117 HG23 VAL 13 HG23 VAL 13 -2.826 -5.043 2.801 118 H LYS 14 H LYS 14 -3.664 -9.823 1.251 119 HA LYS 14 HA LYS 14 -4.542 -10.194 -1.528 120 HB2 LYS 14 HB3 LYS 14 -5.191 -12.514 -0.650 121 HB3 LYS 14 HB2 LYS 14 -3.477 -12.159 -0.813 122 HG2 LYS 14 HG3 LYS 14 -3.295 -11.756 1.562 123 HG3 LYS 14 HG2 LYS 14 -5.034 -11.986 1.758 124 HD2 LYS 14 HD3 LYS 14 -4.883 -14.239 1.631 125 HD3 LYS 14 HD2 LYS 14 -3.589 -14.188 0.432 126 HE2 LYS 14 HE3 LYS 14 -2.554 -15.073 2.324 127 HE3 LYS 14 HE2 LYS 14 -2.107 -13.367 2.362 128 HZ1 LYS 14 HZ1 LYS 14 -2.763 -13.934 4.533 129 HZ2 LYS 14 HZ2 LYS 14 -4.151 -14.746 4.005 130 HZ3 LYS 14 HZ3 LYS 14 -4.061 -13.060 3.891 131 H ARG 15 H ARG 15 -6.360 -9.001 -1.753 132 HA ARG 15 HA ARG 15 -8.732 -9.926 -0.404 133 HB2 ARG 15 HB3 ARG 15 -7.385 -7.500 0.460 134 HB3 ARG 15 HB2 ARG 15 -9.024 -7.171 -0.081 135 HG2 ARG 15 HG3 ARG 15 -9.608 -7.707 2.003 136 HG3 ARG 15 HG2 ARG 15 -9.392 -9.376 1.474 137 HD2 ARG 15 HD3 ARG 15 -6.871 -8.843 2.126 138 HD3 ARG 15 HD2 ARG 15 -7.661 -7.678 3.187 139 HE ARG 15 HE ARG 15 -9.014 -9.966 3.674 140 HH11 ARG 15 HH11 ARG 15 -5.616 -9.172 3.648 141 HH12 ARG 15 HH12 ARG 15 -5.205 -10.346 4.853 142 HH21 ARG 15 HH22 ARG 15 -8.476 -11.511 5.258 143 HH22 ARG 15 HH21 ARG 15 -6.829 -11.675 5.767 144 H ARG 16 H ARG 16 -10.308 -9.988 -1.859 145 HA ARG 16 HA ARG 16 -10.079 -8.276 -4.238 146 HB2 ARG 16 HB3 ARG 16 -10.877 -11.064 -3.811 147 HB3 ARG 16 HB2 ARG 16 -11.973 -10.171 -4.855 148 HG2 ARG 16 HG3 ARG 16 -10.527 -10.162 -6.549 149 HG3 ARG 16 HG2 ARG 16 -9.171 -9.730 -5.507 150 HD2 ARG 16 HD3 ARG 16 -8.832 -12.004 -4.878 151 HD3 ARG 16 HD2 ARG 16 -10.338 -12.502 -5.646 152 HE ARG 16 HE ARG 16 -8.553 -11.310 -7.515 153 HH11 ARG 16 HH11 ARG 16 -9.188 -14.264 -5.769 154 HH12 ARG 16 HH12 ARG 16 -8.419 -15.273 -6.947 155 HH21 ARG 16 HH22 ARG 16 -7.541 -12.636 -9.066 156 HH22 ARG 16 HH21 ARG 16 -7.484 -14.350 -8.819 157 H VAL 17 H VAL 17 -12.863 -9.963 -2.818 158 HA VAL 17 HA VAL 17 -14.322 -7.404 -2.881 159 HB VAL 17 HB VAL 17 -15.233 -9.100 -4.407 160 HG11 VAL 17 HG11 VAL 17 -16.513 -10.943 -2.808 161 HG12 VAL 17 HG12 VAL 17 -14.918 -10.801 -2.068 162 HG13 VAL 17 HG13 VAL 17 -15.063 -11.232 -3.772 163 HG21 VAL 17 HG21 VAL 17 -16.726 -7.907 -2.188 164 HG22 VAL 17 HG22 VAL 17 -17.549 -9.255 -2.971 165 HG23 VAL 17 HG23 VAL 17 -17.038 -7.861 -3.923 166 H LEU 18 H LEU 18 -13.016 -7.351 -0.706 167 HA LEU 18 HA LEU 18 -14.862 -8.280 1.386 168 HB2 LEU 18 HB3 LEU 18 -12.029 -8.879 1.064 169 HB3 LEU 18 HB2 LEU 18 -12.385 -8.166 2.626 170 HG LEU 18 HG LEU 18 -14.168 -10.368 1.780 171 HD11 LEU 18 HD11 LEU 18 -12.399 -11.621 1.124 172 HD12 LEU 18 HD12 LEU 18 -12.252 -11.870 2.864 173 HD13 LEU 18 HD13 LEU 18 -11.239 -10.674 2.056 174 HD21 LEU 18 HD21 LEU 18 -13.838 -8.966 4.055 175 HD22 LEU 18 HD22 LEU 18 -12.781 -10.340 4.379 176 HD23 LEU 18 HD23 LEU 18 -14.483 -10.606 3.999 177 H ALA 19 H ALA 19 -14.871 -6.985 3.322 178 HA ALA 19 HA ALA 19 -14.751 -4.195 2.764 179 HB1 ALA 19 HB1 ALA 19 -15.084 -5.441 5.482 180 HB2 ALA 19 HB2 ALA 19 -16.389 -5.347 4.301 181 HB3 ALA 19 HB3 ALA 19 -15.657 -3.870 4.926 182 H THR 20 H THR 20 -13.227 -2.720 3.229 183 HA THR 20 HA THR 20 -10.589 -3.468 3.755 184 HB THR 20 HB THR 20 -10.876 -1.411 2.657 185 HG1 THR 20 HG1 THR 20 -10.285 -0.632 5.312 186 HG21 THR 20 HG21 THR 20 -12.031 0.530 3.796 187 HG22 THR 20 HG22 THR 20 -12.742 -0.663 4.880 188 HG23 THR 20 HG23 THR 20 -13.067 -0.741 3.148 189 H ASP 21 H ASP 21 -9.767 -4.255 5.568 190 HA ASP 21 HA ASP 21 -10.932 -3.430 8.137 191 HB2 ASP 21 HB3 ASP 21 -9.571 -5.913 7.187 192 HB3 ASP 21 HB2 ASP 21 -9.431 -5.480 8.889 193 H MET 22 H MET 22 -8.073 -3.303 6.208 194 HA MET 22 HA MET 22 -6.091 -2.942 8.122 195 HB2 MET 22 HB3 MET 22 -6.437 -1.967 5.308 196 HB3 MET 22 HB2 MET 22 -5.057 -1.436 6.260 197 HG2 MET 22 HG3 MET 22 -4.259 -3.265 5.075 198 HG3 MET 22 HG2 MET 22 -4.615 -3.915 6.675 199 HE1 MET 22 HE1 MET 22 -6.218 -6.998 5.782 200 HE2 MET 22 HE2 MET 22 -6.787 -5.874 7.017 201 HE3 MET 22 HE3 MET 22 -5.058 -6.047 6.711 202 H CYS 23 H CYS 23 -8.475 -0.680 6.878 203 HA CYS 23 HA CYS 23 -7.308 1.654 7.993 204 HB2 CYS 23 HB3 CYS 23 -9.367 2.762 7.440 205 HB3 CYS 23 HB2 CYS 23 -8.986 1.639 6.140 206 HG CYS 23 HG CYS 23 -10.816 0.065 7.603 207 H ASN 24 H ASN 24 -8.911 -0.959 9.438 208 HA ASN 24 HA ASN 24 -9.684 0.660 11.764 209 HB2 ASN 24 HB3 ASN 24 -11.292 -1.006 10.550 210 HB3 ASN 24 HB2 ASN 24 -10.405 -2.233 11.449 211 HD21 ASN 24 HD22 ASN 24 -12.786 -2.390 12.162 212 HD22 ASN 24 HD21 ASN 24 -13.183 -1.529 13.606 213 H VAL 25 H VAL 25 -8.069 -2.407 10.941 214 HA VAL 25 HA VAL 25 -7.150 -3.070 13.475 215 HB VAL 25 HB VAL 25 -5.429 -4.417 12.377 216 HG11 VAL 25 HG11 VAL 25 -8.248 -4.430 11.485 217 HG12 VAL 25 HG12 VAL 25 -7.313 -5.673 12.317 218 HG13 VAL 25 HG13 VAL 25 -7.125 -5.444 10.577 219 HG21 VAL 25 HG21 VAL 25 -5.722 -4.256 9.708 220 HG22 VAL 25 HG22 VAL 25 -4.482 -3.380 10.605 221 HG23 VAL 25 HG23 VAL 25 -5.977 -2.566 10.144 222 H GLY 26 H GLY 26 -5.822 -0.827 11.117 223 HA2 GLY 26 HA3 GLY 26 -4.546 1.070 11.842 224 HA3 GLY 26 HA2 GLY 26 -3.948 0.107 13.184 225 H ALA 27 H ALA 27 -4.067 -0.474 9.674 226 HA ALA 27 HA ALA 27 -1.187 -1.071 9.778 227 HB1 ALA 27 HB1 ALA 27 -1.857 -2.978 8.823 228 HB2 ALA 27 HB2 ALA 27 -2.072 -2.023 7.356 229 HB3 ALA 27 HB3 ALA 27 -3.444 -2.322 8.423 230 H VAL 28 H VAL 28 -3.654 0.803 8.141 231 HA VAL 28 HA VAL 28 -2.019 1.788 6.044 232 HB VAL 28 HB VAL 28 -4.431 1.905 5.879 233 HG11 VAL 28 HG11 VAL 28 -4.776 4.181 7.680 234 HG12 VAL 28 HG12 VAL 28 -4.421 2.653 8.488 235 HG13 VAL 28 HG13 VAL 28 -5.812 2.780 7.411 236 HG21 VAL 28 HG21 VAL 28 -4.675 4.279 5.187 237 HG22 VAL 28 HG22 VAL 28 -3.229 3.496 4.552 238 HG23 VAL 28 HG23 VAL 28 -3.105 4.604 5.918 239 H TRP 29 H TRP 29 -0.497 3.297 6.060 240 HA TRP 29 HA TRP 29 -0.596 5.390 8.063 241 HB2 TRP 29 HB3 TRP 29 1.589 3.359 7.841 242 HB3 TRP 29 HB2 TRP 29 1.985 4.996 8.348 243 HD1 TRP 29 HD1 TRP 29 -0.540 2.239 9.413 244 HE1 TRP 29 HE1 TRP 29 -0.733 2.296 11.978 245 HE3 TRP 29 HE3 TRP 29 2.572 6.179 10.371 246 HZ2 TRP 29 HZ2 TRP 29 0.299 3.811 14.125 247 HZ3 TRP 29 HZ3 TRP 29 2.915 6.869 12.708 248 HH2 TRP 29 HH2 TRP 29 1.801 5.708 14.545 249 H LEU 30 H LEU 30 -0.826 7.005 6.642 250 HA LEU 30 HA LEU 30 0.905 7.147 4.296 251 HB2 LEU 30 HB3 LEU 30 -1.659 7.633 4.388 252 HB3 LEU 30 HB2 LEU 30 -1.158 9.200 4.998 253 HG LEU 30 HG LEU 30 0.039 8.186 2.455 254 HD11 LEU 30 HD11 LEU 30 -2.077 7.895 1.693 255 HD12 LEU 30 HD12 LEU 30 -1.955 9.640 1.464 256 HD13 LEU 30 HD13 LEU 30 -2.779 8.991 2.883 257 HD21 LEU 30 HD21 LEU 30 1.040 10.166 2.898 258 HD22 LEU 30 HD22 LEU 30 -0.304 10.754 3.877 259 HD23 LEU 30 HD23 LEU 30 -0.408 10.802 2.117 260 H ASN 31 H ASN 31 2.790 8.153 4.445 261 HA ASN 31 HA ASN 31 4.430 9.609 5.045 262 HB2 ASN 31 HB3 ASN 31 2.730 11.253 4.202 263 HB3 ASN 31 HB2 ASN 31 2.175 11.450 5.861 264 HD21 ASN 31 HD22 ASN 31 2.719 13.594 5.986 265 HD22 ASN 31 HD21 ASN 31 4.355 14.149 6.028 266 H GLY 32 H GLY 32 3.929 7.680 6.901 267 HA2 GLY 32 HA3 GLY 32 4.387 7.143 9.086 268 HA3 GLY 32 HA2 GLY 32 5.073 8.755 9.237 269 H SER 33 H SER 33 1.731 7.972 8.427 270 HA SER 33 HA SER 33 0.799 8.569 11.098 271 HB2 SER 33 HB3 SER 33 1.160 10.815 10.019 272 HB3 SER 33 HB2 SER 33 -0.059 10.371 8.824 273 HG SER 33 HG SER 33 -1.065 11.507 10.455 274 H CYS 34 H CYS 34 -1.104 7.592 11.517 275 HA CYS 34 HA CYS 34 -2.134 5.667 9.776 276 HB2 CYS 34 HB3 CYS 34 -4.093 5.623 11.376 277 HB3 CYS 34 HB2 CYS 34 -2.510 5.398 12.112 278 HG CYS 34 HG CYS 34 -4.205 7.179 13.338 279 H ALA 35 H ALA 35 -3.658 5.678 8.231 280 HA ALA 35 HA ALA 35 -5.125 8.196 7.783 281 HB1 ALA 35 HB1 ALA 35 -3.516 6.558 5.991 282 HB2 ALA 35 HB2 ALA 35 -4.040 8.233 5.831 283 HB3 ALA 35 HB3 ALA 35 -5.117 6.924 5.347 284 H LYS 36 H LYS 36 -6.928 7.464 5.930 285 HA LYS 36 HA LYS 36 -8.577 5.502 7.368 286 HB2 LYS 36 HB3 LYS 36 -9.198 8.060 6.746 287 HB3 LYS 36 HB2 LYS 36 -9.822 7.239 5.323 288 HG2 LYS 36 HG3 LYS 36 -11.619 6.580 6.431 289 HG3 LYS 36 HG2 LYS 36 -10.625 5.821 7.676 290 HD2 LYS 36 HD3 LYS 36 -10.884 8.777 7.742 291 HD3 LYS 36 HD2 LYS 36 -12.296 7.826 8.206 292 HE2 LYS 36 HE3 LYS 36 -10.258 6.568 9.545 293 HE3 LYS 36 HE2 LYS 36 -9.776 8.262 9.616 294 HZ1 LYS 36 HZ1 LYS 36 -11.686 8.840 10.768 295 HZ2 LYS 36 HZ2 LYS 36 -11.279 7.347 11.453 296 HZ3 LYS 36 HZ3 LYS 36 -12.524 7.443 10.312 297 H ALA 37 H ALA 37 -10.457 4.949 5.438 298 HA ALA 37 HA ALA 37 -8.886 3.301 3.599 299 HB1 ALA 37 HB1 ALA 37 -11.015 2.674 5.195 300 HB2 ALA 37 HB2 ALA 37 -10.465 1.731 3.810 301 HB3 ALA 37 HB3 ALA 37 -11.779 2.891 3.621 302 H SER 38 H SER 38 -9.382 6.197 3.200 303 HA SER 38 HA SER 38 -10.132 6.045 0.431 304 HB2 SER 38 HB3 SER 38 -11.737 8.093 1.853 305 HB3 SER 38 HB2 SER 38 -12.141 7.125 0.435 306 HG SER 38 HG SER 38 -12.262 6.394 3.161 307 H LYS 39 H LYS 39 -7.843 6.829 2.099 308 HA LYS 39 HA LYS 39 -7.654 9.703 1.551 309 HB2 LYS 39 HB3 LYS 39 -6.928 8.344 3.770 310 HB3 LYS 39 HB2 LYS 39 -5.412 8.298 2.881 311 HG2 LYS 39 HG3 LYS 39 -6.211 10.927 2.645 312 HG3 LYS 39 HG2 LYS 39 -6.679 10.494 4.291 313 HD2 LYS 39 HD3 LYS 39 -4.226 9.418 4.240 314 HD3 LYS 39 HD2 LYS 39 -3.990 10.719 3.071 315 HE2 LYS 39 HE3 LYS 39 -5.256 12.087 4.990 316 HE3 LYS 39 HE2 LYS 39 -4.500 10.843 5.984 317 HZ1 LYS 39 HZ1 LYS 39 -2.421 11.519 4.548 318 HZ2 LYS 39 HZ2 LYS 39 -2.842 12.375 5.945 319 HZ3 LYS 39 HZ3 LYS 39 -3.260 12.982 4.423 320 H GLU 40 H GLU 40 -7.080 10.037 -0.513 321 HA GLU 40 HA GLU 40 -5.574 8.323 -2.120 322 HB2 GLU 40 HB3 GLU 40 -5.244 10.334 -3.578 323 HB3 GLU 40 HB2 GLU 40 -6.918 10.017 -3.144 324 HG2 GLU 40 HG3 GLU 40 -7.129 11.946 -2.036 325 HG3 GLU 40 HG2 GLU 40 -5.525 11.825 -1.314 326 H VAL 41 H VAL 41 -3.477 7.874 -2.229 327 HA VAL 41 HA VAL 41 -1.627 9.207 -0.466 328 HB VAL 41 HB VAL 41 0.033 7.582 -1.361 329 HG11 VAL 41 HG11 VAL 41 -2.546 6.771 -0.123 330 HG12 VAL 41 HG12 VAL 41 -0.913 6.745 0.543 331 HG13 VAL 41 HG13 VAL 41 -1.415 5.508 -0.608 332 HG21 VAL 41 HG21 VAL 41 -1.521 7.464 -3.564 333 HG22 VAL 41 HG22 VAL 41 -2.055 6.010 -2.721 334 HG23 VAL 41 HG23 VAL 41 -0.350 6.222 -3.120 335 H LYS 42 H LYS 42 0.699 9.490 -1.533 336 HA LYS 42 HA LYS 42 0.455 10.884 -4.098 337 HB2 LYS 42 HB3 LYS 42 1.308 12.073 -1.487 338 HB3 LYS 42 HB2 LYS 42 2.044 12.652 -2.974 339 HG2 LYS 42 HG3 LYS 42 0.265 13.879 -3.475 340 HG3 LYS 42 HG2 LYS 42 -0.829 12.518 -3.218 341 HD2 LYS 42 HD3 LYS 42 0.343 14.130 -0.961 342 HD3 LYS 42 HD2 LYS 42 -1.193 14.534 -1.732 343 HE2 LYS 42 HE3 LYS 42 -2.281 12.806 -0.767 344 HE3 LYS 42 HE2 LYS 42 -0.889 11.730 -0.882 345 HZ1 LYS 42 HZ1 LYS 42 -1.691 12.558 1.420 346 HZ2 LYS 42 HZ2 LYS 42 -0.838 13.966 1.027 347 HZ3 LYS 42 HZ3 LYS 42 -0.032 12.481 1.096 348 H ALA 43 H ALA 43 2.547 11.328 -5.110 349 HA ALA 43 HA ALA 43 4.246 9.080 -5.036 350 HB1 ALA 43 HB1 ALA 43 5.095 11.701 -6.208 351 HB2 ALA 43 HB2 ALA 43 3.802 10.757 -6.950 352 HB3 ALA 43 HB3 ALA 43 5.415 10.064 -6.782 353 H GLY 44 H GLY 44 6.335 8.810 -4.270 354 HA2 GLY 44 HA3 GLY 44 8.156 9.127 -2.906 355 HA3 GLY 44 HA2 GLY 44 7.831 10.851 -2.988 356 H ASP 45 H ASP 45 5.376 8.668 -1.861 357 HA ASP 45 HA ASP 45 5.574 9.886 0.793 358 HB2 ASP 45 HB3 ASP 45 3.382 8.503 -0.718 359 HB3 ASP 45 HB2 ASP 45 3.301 8.608 1.039 360 H THR 46 H THR 46 4.965 8.390 2.659 361 HA THR 46 HA THR 46 6.465 5.877 2.356 362 HB THR 46 HB THR 46 5.980 7.542 4.835 363 HG1 THR 46 HG1 THR 46 8.389 7.077 3.418 364 HG21 THR 46 HG21 THR 46 6.550 4.851 4.759 365 HG22 THR 46 HG22 THR 46 6.837 5.946 6.109 366 HG23 THR 46 HG23 THR 46 8.129 5.610 4.958 367 H ILE 47 H ILE 47 5.219 4.135 2.259 368 HA ILE 47 HA ILE 47 2.608 4.164 3.601 369 HB ILE 47 HB ILE 47 3.616 2.190 1.552 370 HG12 ILE 47 HG13 ILE 47 1.903 4.661 1.224 371 HG13 ILE 47 HG12 ILE 47 3.497 4.383 0.532 372 HG21 ILE 47 HG21 ILE 47 1.553 1.907 3.305 373 HG22 ILE 47 HG22 ILE 47 1.651 1.117 1.730 374 HG23 ILE 47 HG23 ILE 47 0.735 2.614 1.911 375 HD11 ILE 47 HD11 ILE 47 1.240 2.549 -0.137 376 HD12 ILE 47 HD12 ILE 47 2.694 2.923 -1.060 377 HD13 ILE 47 HD13 ILE 47 1.394 4.110 -0.943 378 H SER 48 H SER 48 2.791 3.431 5.635 379 HA SER 48 HA SER 48 4.575 1.191 6.211 380 HB2 SER 48 HB3 SER 48 3.881 3.485 7.645 381 HB3 SER 48 HB2 SER 48 3.055 2.173 8.485 382 HG SER 48 HG SER 48 5.498 2.803 8.827 383 H LEU 49 H LEU 49 3.802 -0.631 7.482 384 HA LEU 49 HA LEU 49 0.922 -1.122 7.342 385 HB2 LEU 49 HB3 LEU 49 3.043 -2.612 5.886 386 HB3 LEU 49 HB2 LEU 49 1.734 -3.546 6.586 387 HG LEU 49 HG LEU 49 0.292 -1.670 5.306 388 HD11 LEU 49 HD11 LEU 49 1.683 -1.818 2.970 389 HD12 LEU 49 HD12 LEU 49 2.978 -1.577 4.142 390 HD13 LEU 49 HD13 LEU 49 1.653 -0.418 4.042 391 HD21 LEU 49 HD21 LEU 49 -0.150 -3.316 3.643 392 HD22 LEU 49 HD22 LEU 49 0.177 -4.171 5.150 393 HD23 LEU 49 HD23 LEU 49 1.417 -4.084 3.900 394 H HIS 50 H HIS 50 0.135 -2.341 8.987 395 HA HIS 50 HA HIS 50 2.066 -3.144 11.044 396 HB2 HIS 50 HB3 HIS 50 0.175 -1.547 11.588 397 HB3 HIS 50 HB2 HIS 50 -0.929 -2.898 11.351 398 HD1 HIS 50 HD1 HIS 50 -1.667 -3.600 13.604 399 HD2 HIS 50 HD2 HIS 50 2.405 -2.780 13.498 400 HE1 HIS 50 HE1 HIS 50 -0.804 -4.183 15.892 401 HE2 HIS 50 HE2 HIS 50 1.677 -3.759 15.778 402 H TYR 51 H TYR 51 2.254 -5.207 11.747 403 HA TYR 51 HA TYR 51 0.340 -7.212 10.815 404 HB2 TYR 51 HB3 TYR 51 3.250 -7.098 10.133 405 HB3 TYR 51 HB2 TYR 51 2.492 -8.669 10.367 406 HD1 TYR 51 HD1 TYR 51 2.223 -5.522 8.405 407 HD2 TYR 51 HD2 TYR 51 1.252 -9.658 8.641 408 HE1 TYR 51 HE1 TYR 51 1.384 -5.452 6.095 409 HE2 TYR 51 HE2 TYR 51 0.411 -9.599 6.331 410 HH TYR 51 HH TYR 51 -0.561 -7.691 4.775 411 H LEU 52 H LEU 52 1.248 -9.475 11.741 412 HA LEU 52 HA LEU 52 1.318 -9.067 14.613 413 HB2 LEU 52 HB3 LEU 52 1.152 -11.603 14.633 414 HB3 LEU 52 HB2 LEU 52 -0.211 -10.723 13.968 415 HG LEU 52 HG LEU 52 1.837 -11.589 12.018 416 HD11 LEU 52 HD11 LEU 52 1.397 -13.469 13.795 417 HD12 LEU 52 HD12 LEU 52 1.432 -13.843 12.072 418 HD13 LEU 52 HD13 LEU 52 -0.112 -13.659 12.903 419 HD21 LEU 52 HD21 LEU 52 -0.600 -10.480 11.816 420 HD22 LEU 52 HD22 LEU 52 -1.037 -12.187 11.718 421 HD23 LEU 52 HD23 LEU 52 0.111 -11.502 10.567 422 H LYS 53 H LYS 53 3.441 -10.093 12.052 423 HA LYS 53 HA LYS 53 5.436 -11.150 13.862 424 HB2 LYS 53 HB3 LYS 53 6.803 -11.348 11.753 425 HB3 LYS 53 HB2 LYS 53 5.294 -12.250 11.757 426 HG2 LYS 53 HG3 LYS 53 4.971 -9.577 10.680 427 HG3 LYS 53 HG2 LYS 53 6.172 -10.521 9.796 428 HD2 LYS 53 HD3 LYS 53 3.700 -11.964 10.465 429 HD3 LYS 53 HD2 LYS 53 3.496 -10.618 9.343 430 HE2 LYS 53 HE3 LYS 53 5.811 -12.252 8.704 431 HE3 LYS 53 HE2 LYS 53 4.315 -13.185 8.708 432 HZ1 LYS 53 HZ1 LYS 53 3.508 -11.085 7.342 433 HZ2 LYS 53 HZ2 LYS 53 4.252 -12.410 6.598 434 HZ3 LYS 53 HZ3 LYS 53 5.150 -11.019 6.941 435 H GLY 54 H GLY 54 4.755 -8.170 12.183 436 HA2 GLY 54 HA3 GLY 54 6.343 -6.569 13.791 437 HA3 GLY 54 HA2 GLY 54 7.348 -7.023 12.424 438 H ILE 55 H ILE 55 7.427 -4.771 11.877 439 HA ILE 55 HA ILE 55 5.023 -3.903 10.414 440 HB ILE 55 HB ILE 55 6.870 -1.995 11.840 441 HG12 ILE 55 HG13 ILE 55 4.631 -1.790 13.282 442 HG13 ILE 55 HG12 ILE 55 4.477 -3.480 12.812 443 HG21 ILE 55 HG21 ILE 55 4.066 -1.490 10.904 444 HG22 ILE 55 HG22 ILE 55 5.454 -1.286 9.835 445 HG23 ILE 55 HG23 ILE 55 5.324 -0.323 11.307 446 HD11 ILE 55 HD11 ILE 55 5.823 -4.016 14.478 447 HD12 ILE 55 HD12 ILE 55 6.093 -2.314 14.851 448 HD13 ILE 55 HD13 ILE 55 7.125 -3.134 13.679 449 H GLU 56 H GLU 56 5.364 -2.872 8.464 450 HA GLU 56 HA GLU 56 8.156 -2.682 7.551 451 HB2 GLU 56 HB3 GLU 56 5.793 -3.744 5.996 452 HB3 GLU 56 HB2 GLU 56 7.379 -3.423 5.309 453 HG2 GLU 56 HG3 GLU 56 7.335 -5.180 7.671 454 HG3 GLU 56 HG2 GLU 56 6.591 -5.825 6.210 455 H GLU 57 H GLU 57 8.688 -0.747 6.794 456 HA GLU 57 HA GLU 57 6.530 1.137 6.148 457 HB2 GLU 57 HB3 GLU 57 8.077 1.775 7.974 458 HB3 GLU 57 HB2 GLU 57 9.415 1.716 6.835 459 HG2 GLU 57 HG3 GLU 57 8.074 3.443 5.488 460 HG3 GLU 57 HG2 GLU 57 7.147 3.663 6.972 461 H TYR 58 H TYR 58 6.110 1.055 4.029 462 HA TYR 58 HA TYR 58 8.283 0.748 2.114 463 HB2 TYR 58 HB3 TYR 58 5.292 0.883 1.679 464 HB3 TYR 58 HB2 TYR 58 6.490 0.538 0.437 465 HD1 TYR 58 HD2 TYR 58 4.978 -0.750 3.562 466 HD2 TYR 58 HD1 TYR 58 7.363 -1.642 0.154 467 HE1 TYR 58 HE2 TYR 58 4.849 -3.145 4.106 468 HE2 TYR 58 HE1 TYR 58 7.241 -4.040 0.687 469 HH TYR 58 HH TYR 58 5.114 -5.276 3.124 470 H THR 59 H THR 59 7.743 2.115 -0.021 471 HA THR 59 HA THR 59 7.055 4.864 0.639 472 HB THR 59 HB THR 59 9.771 4.063 -0.423 473 HG1 THR 59 HG1 THR 59 9.088 5.521 1.906 474 HG21 THR 59 HG21 THR 59 8.825 6.860 0.115 475 HG22 THR 59 HG22 THR 59 8.854 6.135 -1.492 476 HG23 THR 59 HG23 THR 59 10.356 6.345 -0.591 477 H ILE 60 H ILE 60 5.946 5.771 -0.975 478 HA ILE 60 HA ILE 60 5.521 4.320 -3.414 479 HB ILE 60 HB ILE 60 4.595 7.124 -2.812 480 HG12 ILE 60 HG13 ILE 60 3.204 4.520 -2.156 481 HG13 ILE 60 HG12 ILE 60 3.969 5.580 -0.977 482 HG21 ILE 60 HG21 ILE 60 4.084 5.146 -4.915 483 HG22 ILE 60 HG22 ILE 60 3.917 6.902 -4.940 484 HG23 ILE 60 HG23 ILE 60 2.639 5.904 -4.248 485 HD11 ILE 60 HD11 ILE 60 2.008 6.578 -0.750 486 HD12 ILE 60 HD12 ILE 60 1.339 5.713 -2.135 487 HD13 ILE 60 HD13 ILE 60 2.220 7.222 -2.378 488 H LEU 61 H LEU 61 6.515 4.561 -5.303 489 HA LEU 61 HA LEU 61 8.565 6.617 -5.555 490 HB2 LEU 61 HB3 LEU 61 7.920 4.125 -7.112 491 HB3 LEU 61 HB2 LEU 61 9.079 5.306 -7.695 492 HG LEU 61 HG LEU 61 9.277 3.668 -5.171 493 HD11 LEU 61 HD11 LEU 61 9.893 2.901 -7.664 494 HD12 LEU 61 HD12 LEU 61 10.786 2.373 -6.237 495 HD13 LEU 61 HD13 LEU 61 11.399 3.704 -7.219 496 HD21 LEU 61 HD21 LEU 61 10.254 5.617 -4.457 497 HD22 LEU 61 HD22 LEU 61 10.760 6.088 -6.080 498 HD23 LEU 61 HD23 LEU 61 11.632 4.821 -5.217 499 H GLN 62 H GLN 62 5.382 5.945 -6.651 500 HA GLN 62 HA GLN 62 5.030 8.435 -7.860 501 HB2 GLN 62 HB3 GLN 62 6.462 6.748 -9.534 502 HB3 GLN 62 HB2 GLN 62 4.812 6.610 -10.126 503 HG2 GLN 62 HG3 GLN 62 5.926 9.318 -9.601 504 HG3 GLN 62 HG2 GLN 62 6.438 8.445 -11.045 505 HE21 GLN 62 HE22 GLN 62 4.539 10.804 -10.250 506 HE22 GLN 62 HE21 GLN 62 3.173 10.535 -11.272 507 H ILE 63 H ILE 63 2.916 8.640 -8.936 508 HA ILE 63 HA ILE 63 1.059 6.528 -8.047 509 HB ILE 63 HB ILE 63 0.396 9.455 -8.356 510 HG12 ILE 63 HG13 ILE 63 2.051 9.099 -6.551 511 HG13 ILE 63 HG12 ILE 63 0.487 9.612 -5.925 512 HG21 ILE 63 HG21 ILE 63 -1.092 7.142 -7.125 513 HG22 ILE 63 HG22 ILE 63 -1.521 8.016 -8.595 514 HG23 ILE 63 HG23 ILE 63 -1.598 8.828 -7.031 515 HD11 ILE 63 HD11 ILE 63 1.822 6.954 -5.735 516 HD12 ILE 63 HD12 ILE 63 0.066 7.074 -5.621 517 HD13 ILE 63 HD13 ILE 63 1.087 7.936 -4.468 518 HA PRO 64 HA PRO 64 0.576 6.732 -12.619 519 HB2 PRO 64 HB2 PRO 64 0.323 4.091 -13.017 520 HB3 PRO 64 HB3 PRO 64 1.905 4.847 -12.793 521 HG2 PRO 64 HG3 PRO 64 0.214 3.365 -10.813 522 HG3 PRO 64 HG2 PRO 64 1.959 3.240 -11.102 523 HD2 PRO 64 HD3 PRO 64 0.880 4.704 -9.070 524 HD3 PRO 64 HD2 PRO 64 2.424 5.108 -9.847 525 H ALA 65 H ALA 65 -1.400 5.949 -10.025 526 HA ALA 65 HA ALA 65 -3.659 5.841 -9.767 527 HB1 ALA 65 HB1 ALA 65 -4.445 7.483 -11.067 528 HB2 ALA 65 HB2 ALA 65 -4.845 6.212 -12.222 529 HB3 ALA 65 HB3 ALA 65 -3.329 7.100 -12.376 530 H LEU 66 H LEU 66 -2.038 3.540 -10.444 531 HA LEU 66 HA LEU 66 -3.329 1.837 -12.275 532 HB2 LEU 66 HB3 LEU 66 -2.012 0.081 -11.358 533 HB3 LEU 66 HB2 LEU 66 -1.026 1.530 -11.375 534 HG LEU 66 HG LEU 66 -2.465 1.036 -8.848 535 HD11 LEU 66 HD11 LEU 66 -0.947 -0.693 -8.093 536 HD12 LEU 66 HD12 LEU 66 -0.179 -0.742 -9.679 537 HD13 LEU 66 HD13 LEU 66 -1.856 -1.254 -9.497 538 HD21 LEU 66 HD21 LEU 66 -0.210 1.624 -7.954 539 HD22 LEU 66 HD22 LEU 66 -0.923 2.858 -8.992 540 HD23 LEU 66 HD23 LEU 66 0.345 1.804 -9.618 541 H LYS 67 H LYS 67 -4.298 -0.316 -11.552 542 HA LYS 67 HA LYS 67 -6.143 0.090 -9.296 543 HB2 LYS 67 HB3 LYS 67 -7.167 0.451 -11.615 544 HB3 LYS 67 HB2 LYS 67 -6.958 -1.278 -11.854 545 HG2 LYS 67 HG3 LYS 67 -8.569 -1.826 -10.313 546 HG3 LYS 67 HG2 LYS 67 -8.385 -0.313 -9.424 547 HD2 LYS 67 HD3 LYS 67 -9.445 -0.346 -12.229 548 HD3 LYS 67 HD2 LYS 67 -10.504 -0.649 -10.851 549 HE2 LYS 67 HE3 LYS 67 -9.729 1.514 -9.877 550 HE3 LYS 67 HE2 LYS 67 -8.854 1.818 -11.376 551 HZ1 LYS 67 HZ1 LYS 67 -11.273 1.281 -12.329 552 HZ2 LYS 67 HZ2 LYS 67 -10.767 2.844 -11.919 553 HZ3 LYS 67 HZ3 LYS 67 -11.706 1.946 -10.835 554 H ASN 68 H ASN 68 -4.663 -2.252 -11.507 555 HA ASN 68 HA ASN 68 -4.126 -4.058 -9.344 556 HB2 ASN 68 HB3 ASN 68 -5.358 -5.978 -10.506 557 HB3 ASN 68 HB2 ASN 68 -6.345 -4.820 -9.620 558 HD21 ASN 68 HD22 ASN 68 -5.369 -5.940 -12.770 559 HD22 ASN 68 HD21 ASN 68 -6.649 -5.189 -13.654 560 H VAL 69 H VAL 69 -2.051 -3.370 -10.309 561 HA VAL 69 HA VAL 69 -1.355 -4.329 -12.923 562 HB VAL 69 HB VAL 69 0.512 -3.393 -10.744 563 HG11 VAL 69 HG11 VAL 69 2.108 -3.046 -12.443 564 HG12 VAL 69 HG12 VAL 69 0.911 -3.265 -13.721 565 HG13 VAL 69 HG13 VAL 69 1.430 -4.644 -12.752 566 HG21 VAL 69 HG21 VAL 69 -1.342 -1.780 -11.346 567 HG22 VAL 69 HG22 VAL 69 -0.632 -1.708 -12.958 568 HG23 VAL 69 HG23 VAL 69 0.304 -1.182 -11.559 569 HA PRO 70 HA PRO 70 -0.596 -8.558 -11.644 570 HB2 PRO 70 HB2 PRO 70 1.024 -8.576 -14.135 571 HB3 PRO 70 HB3 PRO 70 -0.272 -9.663 -13.628 572 HG2 PRO 70 HG3 PRO 70 -0.690 -7.834 -15.519 573 HG3 PRO 70 HG2 PRO 70 -1.943 -8.214 -14.321 574 HD2 PRO 70 HD3 PRO 70 -0.103 -5.861 -14.465 575 HD3 PRO 70 HD2 PRO 70 -1.809 -5.933 -13.974 576 H ARG 71 H ARG 71 1.687 -9.939 -12.246 577 HA ARG 71 HA ARG 71 3.651 -8.563 -10.574 578 HB2 ARG 71 HB3 ARG 71 2.710 -11.081 -10.404 579 HB3 ARG 71 HB2 ARG 71 4.111 -11.363 -11.429 580 HG2 ARG 71 HG3 ARG 71 4.566 -9.702 -9.036 581 HG3 ARG 71 HG2 ARG 71 4.194 -11.402 -8.752 582 HD2 ARG 71 HD3 ARG 71 6.053 -12.125 -10.007 583 HD3 ARG 71 HD2 ARG 71 6.291 -10.529 -10.719 584 HE ARG 71 HE ARG 71 6.641 -10.078 -8.079 585 HH11 ARG 71 HH11 ARG 71 8.014 -12.396 -10.297 586 HH12 ARG 71 HH12 ARG 71 9.519 -12.505 -9.449 587 HH21 ARG 71 HH22 ARG 71 8.621 -10.219 -6.961 588 HH22 ARG 71 HH21 ARG 71 9.864 -11.269 -7.554 589 H LYS 72 H LYS 72 4.585 -7.157 -12.070 590 HA LYS 72 HA LYS 72 6.706 -8.272 -13.618 591 HB2 LYS 72 HB3 LYS 72 4.447 -8.364 -15.019 592 HB3 LYS 72 HB2 LYS 72 4.852 -6.681 -15.325 593 HG2 LYS 72 HG3 LYS 72 7.179 -7.626 -15.977 594 HG3 LYS 72 HG2 LYS 72 6.311 -9.154 -16.136 595 HD2 LYS 72 HD3 LYS 72 4.649 -7.774 -17.570 596 HD3 LYS 72 HD2 LYS 72 5.975 -6.615 -17.688 597 HE2 LYS 72 HE3 LYS 72 6.233 -9.534 -18.386 598 HE3 LYS 72 HE2 LYS 72 5.842 -8.279 -19.562 599 HZ1 LYS 72 HZ1 LYS 72 7.966 -7.168 -18.715 600 HZ2 LYS 72 HZ2 LYS 72 8.129 -8.514 -19.729 601 HZ3 LYS 72 HZ3 LYS 72 8.351 -8.679 -18.061 602 H ASP 73 H ASP 73 4.704 -5.329 -13.867 603 HA ASP 73 HA ASP 73 7.135 -3.752 -13.342 604 HB2 ASP 73 HB3 ASP 73 4.657 -3.108 -14.940 605 HB3 ASP 73 HB2 ASP 73 5.837 -1.886 -14.477 606 H THR 74 H THR 74 5.357 -4.928 -11.327 607 HA THR 74 HA THR 74 4.160 -2.517 -10.152 608 HB THR 74 HB THR 74 2.676 -4.472 -10.401 609 HG1 THR 74 HG1 THR 74 2.474 -3.002 -8.594 610 HG21 THR 74 HG21 THR 74 2.954 -6.495 -9.279 611 HG22 THR 74 HG22 THR 74 4.276 -5.869 -8.293 612 HG23 THR 74 HG23 THR 74 4.526 -6.175 -10.012 613 H HIS 75 H HIS 75 7.022 -3.036 -10.166 614 HA HIS 75 HA HIS 75 7.467 -3.253 -7.260 615 HB2 HIS 75 HB3 HIS 75 8.499 -4.942 -9.168 616 HB3 HIS 75 HB2 HIS 75 9.804 -3.783 -8.952 617 HD1 HIS 75 HD1 HIS 75 7.535 -5.808 -6.651 618 HD2 HIS 75 HD2 HIS 75 11.483 -4.554 -6.989 619 HE1 HIS 75 HE1 HIS 75 8.732 -6.813 -4.680 620 HE2 HIS 75 HE2 HIS 75 11.136 -6.115 -4.956 621 H LEU 76 H LEU 76 7.404 -1.122 -9.766 622 HA LEU 76 HA LEU 76 9.604 0.499 -8.672 623 HB2 LEU 76 HB3 LEU 76 8.407 0.253 -11.390 624 HB3 LEU 76 HB2 LEU 76 9.079 1.801 -10.915 625 HG LEU 76 HG LEU 76 10.810 -0.560 -10.472 626 HD11 LEU 76 HD11 LEU 76 11.190 -1.132 -12.619 627 HD12 LEU 76 HD12 LEU 76 10.887 0.497 -13.222 628 HD13 LEU 76 HD13 LEU 76 9.534 -0.567 -12.839 629 HD21 LEU 76 HD21 LEU 76 12.498 1.047 -11.346 630 HD22 LEU 76 HD22 LEU 76 11.637 1.620 -9.918 631 HD23 LEU 76 HD23 LEU 76 11.210 2.240 -11.512 632 H TYR 77 H TYR 77 6.715 0.192 -7.756 633 HA TYR 77 HA TYR 77 5.985 3.044 -7.902 634 HB2 TYR 77 HB3 TYR 77 4.174 0.648 -7.534 635 HB3 TYR 77 HB2 TYR 77 3.650 2.329 -7.497 636 HD1 TYR 77 HD2 TYR 77 4.932 3.581 -9.725 637 HD2 TYR 77 HD1 TYR 77 3.374 -0.369 -9.445 638 HE1 TYR 77 HE2 TYR 77 4.616 3.539 -12.163 639 HE2 TYR 77 HE1 TYR 77 3.055 -0.421 -11.883 640 HH TYR 77 HH TYR 77 3.325 2.387 -13.833 641 H ILE 78 H ILE 78 6.483 0.265 -5.850 642 HA ILE 78 HA ILE 78 6.674 1.998 -3.538 643 HB ILE 78 HB ILE 78 4.299 1.403 -3.520 644 HG12 ILE 78 HG13 ILE 78 5.883 -0.038 -1.380 645 HG13 ILE 78 HG12 ILE 78 5.497 1.680 -1.385 646 HG21 ILE 78 HG21 ILE 78 5.002 -0.937 -4.629 647 HG22 ILE 78 HG22 ILE 78 3.469 -0.678 -3.796 648 HG23 ILE 78 HG23 ILE 78 4.813 -1.446 -2.951 649 HD11 ILE 78 HD11 ILE 78 3.091 0.182 -1.684 650 HD12 ILE 78 HD12 ILE 78 3.573 1.271 -0.384 651 HD13 ILE 78 HD13 ILE 78 4.001 -0.439 -0.307 652 H ALA 79 H ALA 79 8.134 1.274 -2.073 653 HA ALA 79 HA ALA 79 8.990 -1.515 -2.146 654 HB1 ALA 79 HB1 ALA 79 10.886 0.788 -2.587 655 HB2 ALA 79 HB2 ALA 79 10.445 -0.449 -3.765 656 HB3 ALA 79 HB3 ALA 79 11.363 -0.889 -2.325 657 HA PRO 80 HA PRO 80 9.299 -0.952 2.219 658 HB2 PRO 80 HB2 PRO 80 11.188 -2.806 2.842 659 HB3 PRO 80 HB3 PRO 80 9.529 -3.229 2.405 660 HG2 PRO 80 HG3 PRO 80 11.998 -3.250 0.712 661 HG3 PRO 80 HG2 PRO 80 10.696 -4.450 0.805 662 HD2 PRO 80 HD3 PRO 80 10.843 -2.629 -1.186 663 HD3 PRO 80 HD2 PRO 80 9.292 -3.219 -0.553 664 H LYS 81 H LYS 81 10.159 1.009 2.710 665 HA LYS 81 HA LYS 81 12.731 1.904 2.067 666 HB2 LYS 81 HB3 LYS 81 10.791 3.325 2.800 667 HB3 LYS 81 HB2 LYS 81 11.088 2.782 4.445 668 HG2 LYS 81 HG3 LYS 81 13.035 3.985 4.639 669 HG3 LYS 81 HG2 LYS 81 13.314 4.015 2.896 670 HD2 LYS 81 HD3 LYS 81 10.944 5.367 3.132 671 HD3 LYS 81 HD2 LYS 81 11.801 5.856 4.595 672 HE2 LYS 81 HE3 LYS 81 13.724 5.998 2.601 673 HE3 LYS 81 HE2 LYS 81 12.261 6.608 1.830 674 HZ1 LYS 81 HZ1 LYS 81 12.050 8.292 3.430 675 HZ2 LYS 81 HZ2 LYS 81 13.693 8.286 3.023 676 HZ3 LYS 81 HZ3 LYS 81 13.177 7.582 4.471 677 H THR 82 H THR 82 14.680 1.548 2.917 678 HA THR 82 HA THR 82 14.887 0.462 5.630 679 HB THR 82 HB THR 82 16.879 -0.910 4.370 680 HG1 THR 82 HG1 THR 82 16.249 -0.440 2.308 681 HG21 THR 82 HG21 THR 82 14.054 -1.885 4.701 682 HG22 THR 82 HG22 THR 82 15.306 -1.898 5.943 683 HG23 THR 82 HG23 THR 82 15.487 -2.892 4.496 684 H LYS 83 H LYS 83 16.391 1.469 6.795 685 HA LYS 83 HA LYS 83 18.720 2.637 5.482 686 HB2 LYS 83 HB3 LYS 83 16.711 4.196 7.102 687 HB3 LYS 83 HB2 LYS 83 18.356 4.759 6.844 688 HG2 LYS 83 HG3 LYS 83 17.862 4.505 4.350 689 HG3 LYS 83 HG2 LYS 83 16.167 4.389 4.831 690 HD2 LYS 83 HD3 LYS 83 16.615 6.565 6.137 691 HD3 LYS 83 HD2 LYS 83 18.061 6.696 5.135 692 HE2 LYS 83 HE3 LYS 83 15.604 6.093 3.654 693 HE3 LYS 83 HE2 LYS 83 15.599 7.658 4.466 694 HZ1 LYS 83 HZ1 LYS 83 17.667 8.208 3.353 695 HZ2 LYS 83 HZ2 LYS 83 16.474 7.816 2.217 696 HZ3 LYS 83 HZ3 LYS 83 17.691 6.700 2.587 697 H GLU 84 H GLU 84 20.526 2.741 6.766 698 HA GLU 84 HA GLU 84 20.423 1.195 9.208 699 HB2 GLU 84 HB3 GLU 84 22.348 1.673 7.208 700 HB3 GLU 84 HB2 GLU 84 23.009 2.357 8.686 701 HG2 GLU 84 HG3 GLU 84 21.999 -0.096 9.473 702 HG3 GLU 84 HG2 GLU 84 22.714 -0.406 7.892 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -4.120 7.630 -7.460 2 H2 MET 1 H2 MET 1 -3.664 8.341 -5.968 3 H3 MET 1 H3 MET 1 -5.320 8.271 -6.414 4 HA MET 1 HA MET 1 -5.418 5.995 -6.161 5 HB2 MET 1 HB3 MET 1 -2.790 6.097 -7.002 6 HB3 MET 1 HB2 MET 1 -2.638 5.572 -5.332 7 HG2 MET 1 HG3 MET 1 -2.750 3.666 -6.799 8 HG3 MET 1 HG2 MET 1 -4.188 3.729 -5.781 9 HE1 MET 1 HE1 MET 1 -6.602 4.324 -6.640 10 HE2 MET 1 HE2 MET 1 -6.110 2.647 -6.875 11 HE3 MET 1 HE3 MET 1 -6.989 3.494 -8.147 12 H ARG 2 H ARG 2 -5.132 4.714 -4.089 13 HA ARG 2 HA ARG 2 -4.511 6.412 -1.784 14 HB2 ARG 2 HB3 ARG 2 -7.108 4.909 -2.159 15 HB3 ARG 2 HB2 ARG 2 -6.603 5.684 -0.663 16 HG2 ARG 2 HG3 ARG 2 -7.312 7.672 -1.348 17 HG3 ARG 2 HG2 ARG 2 -6.487 7.513 -2.900 18 HD2 ARG 2 HD3 ARG 2 -8.837 5.804 -2.671 19 HD3 ARG 2 HD2 ARG 2 -9.211 7.519 -2.506 20 HE ARG 2 HE ARG 2 -7.512 6.898 -4.745 21 HH11 ARG 2 HH11 ARG 2 -10.809 7.188 -3.637 22 HH12 ARG 2 HH12 ARG 2 -11.450 7.458 -5.223 23 HH21 ARG 2 HH22 ARG 2 -8.353 7.255 -6.830 24 HH22 ARG 2 HH21 ARG 2 -10.055 7.496 -7.036 25 H ILE 3 H ILE 3 -3.906 5.300 0.080 26 HA ILE 3 HA ILE 3 -2.408 3.028 -0.135 27 HB ILE 3 HB ILE 3 -2.304 4.430 1.825 28 HG12 ILE 3 HG13 ILE 3 -1.801 1.866 1.841 29 HG13 ILE 3 HG12 ILE 3 -1.793 2.765 3.349 30 HG21 ILE 3 HG21 ILE 3 -4.072 4.231 3.588 31 HG22 ILE 3 HG22 ILE 3 -5.078 3.414 2.391 32 HG23 ILE 3 HG23 ILE 3 -4.566 5.080 2.123 33 HD11 ILE 3 HD11 ILE 3 -4.417 1.703 2.760 34 HD12 ILE 3 HD12 ILE 3 -3.410 1.503 4.193 35 HD13 ILE 3 HD13 ILE 3 -3.188 0.442 2.803 36 H ASP 4 H ASP 4 -5.872 3.227 0.226 37 HA ASP 4 HA ASP 4 -6.354 0.583 1.057 38 HB2 ASP 4 HB3 ASP 4 -8.650 0.998 -0.037 39 HB3 ASP 4 HB2 ASP 4 -8.174 2.039 1.300 40 H LYS 5 H LYS 5 -6.672 1.972 -2.223 41 HA LYS 5 HA LYS 5 -6.657 -0.709 -3.351 42 HB2 LYS 5 HB3 LYS 5 -7.736 1.827 -4.108 43 HB3 LYS 5 HB2 LYS 5 -6.682 1.259 -5.396 44 HG2 LYS 5 HG3 LYS 5 -8.079 -0.392 -5.987 45 HG3 LYS 5 HG2 LYS 5 -8.507 -0.768 -4.316 46 HD2 LYS 5 HD3 LYS 5 -10.442 0.067 -5.545 47 HD3 LYS 5 HD2 LYS 5 -9.985 1.182 -4.256 48 HE2 LYS 5 HE3 LYS 5 -10.365 2.599 -6.052 49 HE3 LYS 5 HE2 LYS 5 -8.616 2.378 -6.089 50 HZ1 LYS 5 HZ1 LYS 5 -10.639 1.484 -7.972 51 HZ2 LYS 5 HZ2 LYS 5 -9.392 0.384 -7.660 52 HZ3 LYS 5 HZ3 LYS 5 -9.030 1.930 -8.242 53 H PHE 6 H PHE 6 -4.310 1.489 -2.499 54 HA PHE 6 HA PHE 6 -2.609 1.311 -4.780 55 HB2 PHE 6 HB3 PHE 6 -2.554 3.150 -3.070 56 HB3 PHE 6 HB2 PHE 6 -1.803 2.011 -1.957 57 HD1 PHE 6 HD2 PHE 6 -1.363 3.853 -5.112 58 HD2 PHE 6 HD1 PHE 6 0.493 1.441 -2.139 59 HE1 PHE 6 HE2 PHE 6 0.845 4.412 -6.044 60 HE2 PHE 6 HE1 PHE 6 2.704 1.997 -3.064 61 HZ PHE 6 HZ PHE 6 2.883 3.483 -5.019 62 H LEU 7 H LEU 7 -1.985 0.083 -1.484 63 HA LEU 7 HA LEU 7 -0.090 -1.811 -2.518 64 HB2 LEU 7 HB3 LEU 7 0.280 -2.422 -0.199 65 HB3 LEU 7 HB2 LEU 7 0.317 -0.682 -0.410 66 HG LEU 7 HG LEU 7 -2.142 -0.737 0.374 67 HD11 LEU 7 HD11 LEU 7 -1.205 -3.501 1.024 68 HD12 LEU 7 HD12 LEU 7 -2.754 -2.966 0.373 69 HD13 LEU 7 HD13 LEU 7 -2.368 -2.688 2.070 70 HD21 LEU 7 HD21 LEU 7 -1.351 0.006 2.331 71 HD22 LEU 7 HD22 LEU 7 0.243 -0.311 1.649 72 HD23 LEU 7 HD23 LEU 7 -0.528 -1.512 2.683 73 H GLN 8 H GLN 8 -3.436 -1.868 -2.043 74 HA GLN 8 HA GLN 8 -3.554 -4.733 -1.560 75 HB2 GLN 8 HB3 GLN 8 -5.759 -2.713 -1.969 76 HB3 GLN 8 HB2 GLN 8 -5.992 -4.395 -1.510 77 HG2 GLN 8 HG3 GLN 8 -4.531 -3.876 0.507 78 HG3 GLN 8 HG2 GLN 8 -4.755 -2.179 0.088 79 HE21 GLN 8 HE22 GLN 8 -7.420 -2.364 -0.824 80 HE22 GLN 8 HE21 GLN 8 -8.431 -2.672 0.541 81 H SER 9 H SER 9 -3.374 -2.654 -4.226 82 HA SER 9 HA SER 9 -4.686 -4.591 -5.997 83 HB2 SER 9 HB3 SER 9 -4.845 -2.862 -7.628 84 HB3 SER 9 HB2 SER 9 -5.299 -2.124 -6.093 85 HG SER 9 HG SER 9 -3.761 -0.756 -6.457 86 H VAL 10 H VAL 10 -1.625 -2.996 -5.348 87 HA VAL 10 HA VAL 10 -0.182 -3.753 -7.602 88 HB VAL 10 HB VAL 10 1.842 -3.632 -6.143 89 HG11 VAL 10 HG11 VAL 10 0.585 -1.200 -5.272 90 HG12 VAL 10 HG12 VAL 10 0.071 -1.599 -6.911 91 HG13 VAL 10 HG13 VAL 10 1.787 -1.447 -6.538 92 HG21 VAL 10 HG21 VAL 10 -0.210 -3.173 -3.979 93 HG22 VAL 10 HG22 VAL 10 1.519 -2.865 -3.809 94 HG23 VAL 10 HG23 VAL 10 0.940 -4.507 -4.086 95 H GLY 11 H GLY 11 -0.828 -5.545 -4.621 96 HA2 GLY 11 HA3 GLY 11 -1.135 -8.004 -5.073 97 HA3 GLY 11 HA2 GLY 11 0.431 -7.911 -5.866 98 H LEU 12 H LEU 12 -0.571 -6.372 -2.841 99 HA LEU 12 HA LEU 12 1.596 -7.829 -1.492 100 HB2 LEU 12 HB3 LEU 12 0.689 -5.092 -1.430 101 HB3 LEU 12 HB2 LEU 12 0.656 -5.777 0.183 102 HG LEU 12 HG LEU 12 3.120 -6.178 -1.436 103 HD11 LEU 12 HD11 LEU 12 3.875 -3.931 -0.372 104 HD12 LEU 12 HD12 LEU 12 2.153 -3.554 -0.387 105 HD13 LEU 12 HD13 LEU 12 2.989 -3.922 -1.896 106 HD21 LEU 12 HD21 LEU 12 4.106 -6.512 0.578 107 HD22 LEU 12 HD22 LEU 12 2.451 -6.907 1.044 108 HD23 LEU 12 HD23 LEU 12 3.108 -5.307 1.392 109 H VAL 13 H VAL 13 -1.601 -6.467 -0.672 110 HA VAL 13 HA VAL 13 -2.166 -8.928 0.833 111 HB VAL 13 HB VAL 13 -3.504 -7.345 2.402 112 HG11 VAL 13 HG11 VAL 13 -1.890 -8.465 3.535 113 HG12 VAL 13 HG12 VAL 13 -1.168 -6.857 3.593 114 HG13 VAL 13 HG13 VAL 13 -0.624 -8.024 2.387 115 HG21 VAL 13 HG21 VAL 13 -1.512 -5.452 1.172 116 HG22 VAL 13 HG22 VAL 13 -2.307 -5.160 2.719 117 HG23 VAL 13 HG23 VAL 13 -3.266 -5.279 1.243 118 H LYS 14 H LYS 14 -3.300 -9.440 -1.191 119 HA LYS 14 HA LYS 14 -5.838 -7.992 -1.506 120 HB2 LYS 14 HB3 LYS 14 -5.953 -9.297 -3.688 121 HB3 LYS 14 HB2 LYS 14 -4.713 -8.055 -3.579 122 HG2 LYS 14 HG3 LYS 14 -2.995 -9.617 -3.388 123 HG3 LYS 14 HG2 LYS 14 -4.100 -10.915 -2.934 124 HD2 LYS 14 HD3 LYS 14 -4.239 -11.533 -5.065 125 HD3 LYS 14 HD2 LYS 14 -4.905 -9.951 -5.478 126 HE2 LYS 14 HE3 LYS 14 -2.910 -10.488 -6.804 127 HE3 LYS 14 HE2 LYS 14 -2.671 -9.064 -5.794 128 HZ1 LYS 14 HZ1 LYS 14 -1.289 -10.223 -4.352 129 HZ2 LYS 14 HZ2 LYS 14 -0.828 -10.809 -5.872 130 HZ3 LYS 14 HZ3 LYS 14 -1.827 -11.739 -4.873 131 H ARG 15 H ARG 15 -7.513 -8.867 -0.498 132 HA ARG 15 HA ARG 15 -8.039 -11.705 -0.751 133 HB2 ARG 15 HB3 ARG 15 -7.655 -10.390 1.942 134 HB3 ARG 15 HB2 ARG 15 -8.414 -11.960 1.714 135 HG2 ARG 15 HG3 ARG 15 -6.166 -12.476 0.436 136 HG3 ARG 15 HG2 ARG 15 -5.563 -11.172 1.461 137 HD2 ARG 15 HD3 ARG 15 -5.168 -13.019 2.779 138 HD3 ARG 15 HD2 ARG 15 -6.747 -12.496 3.366 139 HE ARG 15 HE ARG 15 -6.883 -14.436 1.248 140 HH11 ARG 15 HH11 ARG 15 -6.597 -13.980 4.697 141 HH12 ARG 15 HH12 ARG 15 -7.236 -15.542 5.083 142 HH21 ARG 15 HH22 ARG 15 -7.725 -16.491 1.753 143 HH22 ARG 15 HH21 ARG 15 -7.876 -16.968 3.411 144 H ARG 16 H ARG 16 -9.119 -8.926 1.214 145 HA ARG 16 HA ARG 16 -11.889 -9.617 0.694 146 HB2 ARG 16 HB3 ARG 16 -10.791 -7.277 2.260 147 HB3 ARG 16 HB2 ARG 16 -12.440 -7.888 2.292 148 HG2 ARG 16 HG3 ARG 16 -10.337 -9.827 2.994 149 HG3 ARG 16 HG2 ARG 16 -10.582 -8.498 4.129 150 HD2 ARG 16 HD3 ARG 16 -13.145 -9.389 3.430 151 HD3 ARG 16 HD2 ARG 16 -12.186 -10.845 3.686 152 HE ARG 16 HE ARG 16 -13.153 -9.107 5.683 153 HH11 ARG 16 HH11 ARG 16 -10.311 -10.950 4.844 154 HH12 ARG 16 HH12 ARG 16 -9.806 -11.155 6.488 155 HH21 ARG 16 HH22 ARG 16 -12.492 -9.376 7.845 156 HH22 ARG 16 HH21 ARG 16 -11.044 -10.262 8.192 157 H VAL 17 H VAL 17 -13.420 -8.126 -0.186 158 HA VAL 17 HA VAL 17 -12.217 -6.146 -2.010 159 HB VAL 17 HB VAL 17 -14.737 -7.718 -2.550 160 HG11 VAL 17 HG11 VAL 17 -14.276 -5.406 -3.608 161 HG12 VAL 17 HG12 VAL 17 -14.769 -6.737 -4.655 162 HG13 VAL 17 HG13 VAL 17 -13.072 -6.264 -4.570 163 HG21 VAL 17 HG21 VAL 17 -13.294 -9.431 -2.846 164 HG22 VAL 17 HG22 VAL 17 -11.899 -8.368 -3.034 165 HG23 VAL 17 HG23 VAL 17 -12.997 -8.631 -4.389 166 H LEU 18 H LEU 18 -15.198 -7.028 -0.280 167 HA LEU 18 HA LEU 18 -16.421 -4.483 -0.594 168 HB2 LEU 18 HB3 LEU 18 -16.943 -6.906 1.068 169 HB3 LEU 18 HB2 LEU 18 -17.759 -5.411 1.486 170 HG LEU 18 HG LEU 18 -19.109 -6.919 0.046 171 HD11 LEU 18 HD11 LEU 18 -18.358 -4.273 -1.188 172 HD12 LEU 18 HD12 LEU 18 -19.553 -4.528 0.085 173 HD13 LEU 18 HD13 LEU 18 -19.827 -5.189 -1.527 174 HD21 LEU 18 HD21 LEU 18 -17.462 -6.182 -2.308 175 HD22 LEU 18 HD22 LEU 18 -18.480 -7.595 -2.035 176 HD23 LEU 18 HD23 LEU 18 -16.888 -7.496 -1.283 177 H ALA 19 H ALA 19 -15.290 -6.019 2.420 178 HA ALA 19 HA ALA 19 -14.893 -3.377 3.587 179 HB1 ALA 19 HB1 ALA 19 -16.064 -4.865 5.007 180 HB2 ALA 19 HB2 ALA 19 -14.442 -4.714 5.681 181 HB3 ALA 19 HB3 ALA 19 -14.882 -6.150 4.755 182 H THR 20 H THR 20 -12.916 -2.851 4.726 183 HA THR 20 HA THR 20 -10.571 -3.976 3.366 184 HB THR 20 HB THR 20 -10.860 -1.579 3.068 185 HG1 THR 20 HG1 THR 20 -8.723 -2.407 3.328 186 HG21 THR 20 HG21 THR 20 -10.753 -0.002 4.860 187 HG22 THR 20 HG22 THR 20 -10.583 -1.295 6.046 188 HG23 THR 20 HG23 THR 20 -12.093 -1.109 5.155 189 H ASP 21 H ASP 21 -11.643 -2.893 6.582 190 HA ASP 21 HA ASP 21 -11.194 -3.721 8.658 191 HB2 ASP 21 HB3 ASP 21 -10.754 -5.932 7.024 192 HB3 ASP 21 HB2 ASP 21 -9.289 -5.814 7.993 193 H MET 22 H MET 22 -8.287 -3.959 6.596 194 HA MET 22 HA MET 22 -6.299 -3.588 8.399 195 HB2 MET 22 HB3 MET 22 -6.475 -2.264 5.690 196 HB3 MET 22 HB2 MET 22 -4.999 -2.511 6.613 197 HG2 MET 22 HG3 MET 22 -6.611 -4.919 6.089 198 HG3 MET 22 HG2 MET 22 -5.858 -4.165 4.684 199 HE1 MET 22 HE1 MET 22 -4.013 -7.245 5.290 200 HE2 MET 22 HE2 MET 22 -3.193 -6.044 4.290 201 HE3 MET 22 HE3 MET 22 -4.949 -6.196 4.224 202 H CYS 23 H CYS 23 -8.304 -1.017 7.002 203 HA CYS 23 HA CYS 23 -6.954 1.167 8.096 204 HB2 CYS 23 HB3 CYS 23 -8.931 2.453 7.636 205 HB3 CYS 23 HB2 CYS 23 -8.732 1.278 6.342 206 HG CYS 23 HG CYS 23 -11.198 1.160 6.945 207 H ASN 24 H ASN 24 -9.103 -1.116 9.574 208 HA ASN 24 HA ASN 24 -9.521 0.556 11.916 209 HB2 ASN 24 HB3 ASN 24 -10.992 -1.482 10.695 210 HB3 ASN 24 HB2 ASN 24 -10.414 -2.189 12.201 211 HD21 ASN 24 HD22 ASN 24 -12.166 -2.178 13.450 212 HD22 ASN 24 HD21 ASN 24 -13.100 -0.779 13.842 213 H VAL 25 H VAL 25 -8.197 -2.701 11.285 214 HA VAL 25 HA VAL 25 -7.183 -3.216 13.805 215 HB VAL 25 HB VAL 25 -5.627 -4.783 12.751 216 HG11 VAL 25 HG11 VAL 25 -7.265 -6.154 11.573 217 HG12 VAL 25 HG12 VAL 25 -8.334 -4.759 11.418 218 HG13 VAL 25 HG13 VAL 25 -7.972 -5.421 13.013 219 HG21 VAL 25 HG21 VAL 25 -5.935 -4.874 10.131 220 HG22 VAL 25 HG22 VAL 25 -4.711 -3.846 10.876 221 HG23 VAL 25 HG23 VAL 25 -6.240 -3.150 10.341 222 H GLY 26 H GLY 26 -5.843 -1.224 11.254 223 HA2 GLY 26 HA3 GLY 26 -4.422 0.633 12.020 224 HA3 GLY 26 HA2 GLY 26 -3.629 -0.519 13.082 225 H ALA 27 H ALA 27 -4.470 -1.501 9.866 226 HA ALA 27 HA ALA 27 -1.617 -1.613 9.202 227 HB1 ALA 27 HB1 ALA 27 -2.683 -3.036 7.239 228 HB2 ALA 27 HB2 ALA 27 -4.006 -3.185 8.395 229 HB3 ALA 27 HB3 ALA 27 -2.386 -3.729 8.833 230 H VAL 28 H VAL 28 -3.111 0.867 9.068 231 HA VAL 28 HA VAL 28 -2.572 1.514 6.272 232 HB VAL 28 HB VAL 28 -5.137 2.360 7.625 233 HG11 VAL 28 HG11 VAL 28 -4.984 2.579 4.734 234 HG12 VAL 28 HG12 VAL 28 -3.759 3.551 5.548 235 HG13 VAL 28 HG13 VAL 28 -5.465 3.776 5.935 236 HG21 VAL 28 HG21 VAL 28 -6.294 0.846 6.142 237 HG22 VAL 28 HG22 VAL 28 -5.107 -0.052 7.088 238 HG23 VAL 28 HG23 VAL 28 -4.769 0.353 5.404 239 H TRP 29 H TRP 29 -0.808 2.733 6.849 240 HA TRP 29 HA TRP 29 -1.411 5.232 8.271 241 HB2 TRP 29 HB3 TRP 29 0.741 3.247 8.878 242 HB3 TRP 29 HB2 TRP 29 1.081 4.959 9.108 243 HD1 TRP 29 HD1 TRP 29 -1.947 2.708 10.085 244 HE1 TRP 29 HE1 TRP 29 -2.515 3.190 12.548 245 HE3 TRP 29 HE3 TRP 29 1.675 6.173 11.091 246 HZ2 TRP 29 HZ2 TRP 29 -1.555 4.822 14.641 247 HZ3 TRP 29 HZ3 TRP 29 1.781 7.146 13.348 248 HH2 TRP 29 HH2 TRP 29 0.198 6.484 15.086 249 H LEU 30 H LEU 30 -0.684 7.010 7.260 250 HA LEU 30 HA LEU 30 1.135 6.621 4.976 251 HB2 LEU 30 HB3 LEU 30 -1.348 7.543 4.793 252 HB3 LEU 30 HB2 LEU 30 -0.563 9.054 5.211 253 HG LEU 30 HG LEU 30 -0.783 8.863 2.805 254 HD11 LEU 30 HD11 LEU 30 1.302 9.627 2.288 255 HD12 LEU 30 HD12 LEU 30 2.117 8.362 3.207 256 HD13 LEU 30 HD13 LEU 30 1.377 9.723 4.048 257 HD21 LEU 30 HD21 LEU 30 0.244 7.107 1.535 258 HD22 LEU 30 HD22 LEU 30 -0.809 6.376 2.747 259 HD23 LEU 30 HD23 LEU 30 0.938 6.395 2.992 260 H ASN 31 H ASN 31 3.112 7.374 5.258 261 HA ASN 31 HA ASN 31 4.891 8.566 6.024 262 HB2 ASN 31 HB3 ASN 31 3.222 10.348 4.902 263 HB3 ASN 31 HB2 ASN 31 3.252 10.986 6.543 264 HD21 ASN 31 HD22 ASN 31 4.811 10.891 3.579 265 HD22 ASN 31 HD21 ASN 31 6.298 11.637 4.045 266 H GLY 32 H GLY 32 3.788 7.005 7.968 267 HA2 GLY 32 HA3 GLY 32 3.886 6.695 10.242 268 HA3 GLY 32 HA2 GLY 32 4.755 8.220 10.331 269 H SER 33 H SER 33 1.481 7.687 9.114 270 HA SER 33 HA SER 33 0.325 8.868 11.507 271 HB2 SER 33 HB3 SER 33 -0.378 10.127 8.871 272 HB3 SER 33 HB2 SER 33 -0.608 10.763 10.499 273 HG SER 33 HG SER 33 1.452 11.373 10.575 274 H CYS 34 H CYS 34 -1.571 7.947 11.970 275 HA CYS 34 HA CYS 34 -2.598 5.812 10.492 276 HB2 CYS 34 HB3 CYS 34 -2.975 6.255 12.938 277 HB3 CYS 34 HB2 CYS 34 -4.140 7.491 12.476 278 HG CYS 34 HG CYS 34 -4.661 4.521 12.558 279 H ALA 35 H ALA 35 -4.079 5.631 8.909 280 HA ALA 35 HA ALA 35 -5.691 7.969 8.192 281 HB1 ALA 35 HB1 ALA 35 -3.554 6.761 6.572 282 HB2 ALA 35 HB2 ALA 35 -4.224 8.391 6.537 283 HB3 ALA 35 HB3 ALA 35 -5.066 7.075 5.720 284 H LYS 36 H LYS 36 -7.576 7.488 6.973 285 HA LYS 36 HA LYS 36 -8.727 4.948 7.622 286 HB2 LYS 36 HB3 LYS 36 -9.733 7.460 7.148 287 HB3 LYS 36 HB2 LYS 36 -10.177 6.602 5.678 288 HG2 LYS 36 HG3 LYS 36 -12.004 6.329 7.101 289 HG3 LYS 36 HG2 LYS 36 -11.125 4.803 7.212 290 HD2 LYS 36 HD3 LYS 36 -10.383 5.231 9.350 291 HD3 LYS 36 HD2 LYS 36 -10.506 6.981 9.155 292 HE2 LYS 36 HE3 LYS 36 -12.272 6.484 10.580 293 HE3 LYS 36 HE2 LYS 36 -13.044 6.561 8.998 294 HZ1 LYS 36 HZ1 LYS 36 -12.408 3.986 9.103 295 HZ2 LYS 36 HZ2 LYS 36 -13.885 4.596 9.660 296 HZ3 LYS 36 HZ3 LYS 36 -12.633 4.282 10.753 297 H ALA 37 H ALA 37 -10.328 4.382 5.433 298 HA ALA 37 HA ALA 37 -8.343 3.242 3.610 299 HB1 ALA 37 HB1 ALA 37 -11.029 2.451 4.535 300 HB2 ALA 37 HB2 ALA 37 -9.621 1.463 4.150 301 HB3 ALA 37 HB3 ALA 37 -10.647 2.076 2.854 302 H SER 38 H SER 38 -9.252 6.067 3.501 303 HA SER 38 HA SER 38 -9.903 6.097 0.662 304 HB2 SER 38 HB3 SER 38 -11.670 7.139 2.823 305 HB3 SER 38 HB2 SER 38 -11.530 8.096 1.348 306 HG SER 38 HG SER 38 -13.217 6.362 1.484 307 H LYS 39 H LYS 39 -7.582 6.749 2.403 308 HA LYS 39 HA LYS 39 -7.361 9.640 2.137 309 HB2 LYS 39 HB3 LYS 39 -6.355 7.820 3.968 310 HB3 LYS 39 HB2 LYS 39 -4.953 8.225 2.987 311 HG2 LYS 39 HG3 LYS 39 -6.209 10.662 3.528 312 HG3 LYS 39 HG2 LYS 39 -6.255 9.755 5.041 313 HD2 LYS 39 HD3 LYS 39 -3.714 9.272 4.224 314 HD3 LYS 39 HD2 LYS 39 -3.970 10.898 3.584 315 HE2 LYS 39 HE3 LYS 39 -4.981 10.682 6.276 316 HE3 LYS 39 HE2 LYS 39 -3.290 10.185 6.202 317 HZ1 LYS 39 HZ1 LYS 39 -2.655 12.258 5.353 318 HZ2 LYS 39 HZ2 LYS 39 -3.746 12.625 6.593 319 HZ3 LYS 39 HZ3 LYS 39 -4.242 12.705 4.978 320 H GLU 40 H GLU 40 -6.771 10.440 0.239 321 HA GLU 40 HA GLU 40 -5.640 8.977 -1.861 322 HB2 GLU 40 HB3 GLU 40 -6.784 11.419 -1.657 323 HB3 GLU 40 HB2 GLU 40 -5.095 11.883 -1.806 324 HG2 GLU 40 HG3 GLU 40 -5.170 11.564 -3.989 325 HG3 GLU 40 HG2 GLU 40 -5.659 9.886 -3.751 326 H VAL 41 H VAL 41 -3.570 8.846 -2.695 327 HA VAL 41 HA VAL 41 -1.413 9.691 -0.871 328 HB VAL 41 HB VAL 41 -0.104 7.765 -1.718 329 HG11 VAL 41 HG11 VAL 41 -1.329 7.590 0.383 330 HG12 VAL 41 HG12 VAL 41 -1.300 6.042 -0.462 331 HG13 VAL 41 HG13 VAL 41 -2.759 7.034 -0.487 332 HG21 VAL 41 HG21 VAL 41 -0.822 6.332 -3.307 333 HG22 VAL 41 HG22 VAL 41 -1.844 7.691 -3.779 334 HG23 VAL 41 HG23 VAL 41 -2.500 6.406 -2.764 335 H LYS 42 H LYS 42 0.793 9.471 -2.231 336 HA LYS 42 HA LYS 42 0.513 10.498 -4.928 337 HB2 LYS 42 HB3 LYS 42 1.922 12.499 -4.427 338 HB3 LYS 42 HB2 LYS 42 0.319 12.555 -3.707 339 HG2 LYS 42 HG3 LYS 42 1.194 12.004 -1.552 340 HG3 LYS 42 HG2 LYS 42 2.794 11.696 -2.228 341 HD2 LYS 42 HD3 LYS 42 3.192 13.816 -1.565 342 HD3 LYS 42 HD2 LYS 42 2.386 14.224 -3.081 343 HE2 LYS 42 HE3 LYS 42 0.324 13.861 -1.238 344 HE3 LYS 42 HE2 LYS 42 1.570 14.745 -0.359 345 HZ1 LYS 42 HZ1 LYS 42 1.326 16.561 -1.657 346 HZ2 LYS 42 HZ2 LYS 42 -0.234 15.941 -1.861 347 HZ3 LYS 42 HZ3 LYS 42 0.942 15.678 -3.048 348 H ALA 43 H ALA 43 2.800 11.037 -5.813 349 HA ALA 43 HA ALA 43 4.383 8.685 -5.496 350 HB1 ALA 43 HB1 ALA 43 4.910 11.231 -7.025 351 HB2 ALA 43 HB2 ALA 43 4.217 9.737 -7.659 352 HB3 ALA 43 HB3 ALA 43 5.897 9.773 -7.125 353 H GLY 44 H GLY 44 6.419 8.439 -4.604 354 HA2 GLY 44 HA3 GLY 44 8.236 8.897 -3.265 355 HA3 GLY 44 HA2 GLY 44 7.895 10.607 -3.477 356 H ASP 45 H ASP 45 5.505 8.385 -2.239 357 HA ASP 45 HA ASP 45 5.682 9.751 0.361 358 HB2 ASP 45 HB3 ASP 45 3.434 8.810 -1.301 359 HB3 ASP 45 HB2 ASP 45 3.271 8.478 0.420 360 H THR 46 H THR 46 4.918 8.382 2.243 361 HA THR 46 HA THR 46 6.269 5.784 2.085 362 HB THR 46 HB THR 46 5.400 6.954 4.686 363 HG1 THR 46 HG1 THR 46 6.582 8.653 4.468 364 HG21 THR 46 HG21 THR 46 6.659 4.781 4.460 365 HG22 THR 46 HG22 THR 46 7.349 5.978 5.555 366 HG23 THR 46 HG23 THR 46 8.044 5.747 3.950 367 H ILE 47 H ILE 47 5.281 3.893 2.639 368 HA ILE 47 HA ILE 47 2.398 4.032 3.247 369 HB ILE 47 HB ILE 47 3.807 1.954 1.560 370 HG12 ILE 47 HG13 ILE 47 3.599 4.127 0.423 371 HG13 ILE 47 HG12 ILE 47 2.563 2.912 -0.317 372 HG21 ILE 47 HG21 ILE 47 1.867 1.137 2.901 373 HG22 ILE 47 HG22 ILE 47 1.647 1.003 1.156 374 HG23 ILE 47 HG23 ILE 47 0.853 2.300 2.048 375 HD11 ILE 47 HD11 ILE 47 0.679 3.853 1.058 376 HD12 ILE 47 HD12 ILE 47 1.309 4.901 -0.212 377 HD13 ILE 47 HD13 ILE 47 1.760 5.185 1.469 378 H SER 48 H SER 48 2.431 3.641 5.416 379 HA SER 48 HA SER 48 4.127 1.578 6.526 380 HB2 SER 48 HB3 SER 48 3.961 3.367 7.996 381 HB3 SER 48 HB2 SER 48 2.250 3.622 7.654 382 HG SER 48 HG SER 48 2.576 2.679 9.711 383 H LEU 49 H LEU 49 3.458 -0.317 7.501 384 HA LEU 49 HA LEU 49 0.650 -1.095 7.238 385 HB2 LEU 49 HB3 LEU 49 2.975 -2.333 5.863 386 HB3 LEU 49 HB2 LEU 49 1.767 -3.418 6.520 387 HG LEU 49 HG LEU 49 1.234 -3.047 4.229 388 HD11 LEU 49 HD11 LEU 49 -0.748 -1.168 5.296 389 HD12 LEU 49 HD12 LEU 49 -0.539 -2.642 6.243 390 HD13 LEU 49 HD13 LEU 49 -0.966 -2.744 4.535 391 HD21 LEU 49 HD21 LEU 49 2.405 -0.572 4.580 392 HD22 LEU 49 HD22 LEU 49 0.703 -0.193 4.318 393 HD23 LEU 49 HD23 LEU 49 1.587 -1.144 3.125 394 H HIS 50 H HIS 50 -0.008 -2.718 8.691 395 HA HIS 50 HA HIS 50 1.771 -3.005 10.994 396 HB2 HIS 50 HB3 HIS 50 -0.845 -2.328 10.897 397 HB3 HIS 50 HB2 HIS 50 -0.987 -4.066 11.131 398 HD1 HIS 50 HD1 HIS 50 -0.824 -1.075 13.016 399 HD2 HIS 50 HD2 HIS 50 0.803 -4.871 13.463 400 HE1 HIS 50 HE1 HIS 50 -0.220 -1.265 15.449 401 HE2 HIS 50 HE2 HIS 50 0.688 -3.600 15.712 402 H TYR 51 H TYR 51 2.496 -4.931 11.762 403 HA TYR 51 HA TYR 51 1.624 -7.382 10.403 404 HB2 TYR 51 HB3 TYR 51 4.448 -6.394 10.739 405 HB3 TYR 51 HB2 TYR 51 4.091 -8.104 10.524 406 HD1 TYR 51 HD2 TYR 51 3.491 -4.784 8.937 407 HD2 TYR 51 HD1 TYR 51 3.923 -8.978 8.375 408 HE1 TYR 51 HE2 TYR 51 3.434 -4.457 6.502 409 HE2 TYR 51 HE1 TYR 51 3.867 -8.663 5.937 410 HH TYR 51 HH TYR 51 2.706 -6.380 4.403 411 H LEU 52 H LEU 52 2.956 -9.293 11.613 412 HA LEU 52 HA LEU 52 2.045 -9.108 14.369 413 HB2 LEU 52 HB3 LEU 52 3.310 -11.537 13.154 414 HB3 LEU 52 HB2 LEU 52 2.111 -11.441 14.430 415 HG LEU 52 HG LEU 52 1.395 -10.548 11.666 416 HD11 LEU 52 HD11 LEU 52 0.469 -13.047 11.621 417 HD12 LEU 52 HD12 LEU 52 1.935 -13.314 12.562 418 HD13 LEU 52 HD13 LEU 52 2.038 -12.599 10.953 419 HD21 LEU 52 HD21 LEU 52 -0.420 -12.067 13.439 420 HD22 LEU 52 HD22 LEU 52 -0.746 -10.684 12.395 421 HD23 LEU 52 HD23 LEU 52 0.027 -10.443 13.961 422 H LYS 53 H LYS 53 5.036 -9.524 12.561 423 HA LYS 53 HA LYS 53 6.575 -9.727 15.030 424 HB2 LYS 53 HB3 LYS 53 8.486 -10.181 13.596 425 HB3 LYS 53 HB2 LYS 53 7.136 -11.219 13.154 426 HG2 LYS 53 HG3 LYS 53 7.245 -8.708 11.659 427 HG3 LYS 53 HG2 LYS 53 8.640 -9.760 11.415 428 HD2 LYS 53 HD3 LYS 53 5.832 -10.811 11.247 429 HD3 LYS 53 HD2 LYS 53 6.617 -10.055 9.859 430 HE2 LYS 53 HE3 LYS 53 7.708 -12.408 11.398 431 HE3 LYS 53 HE2 LYS 53 6.835 -12.517 9.871 432 HZ1 LYS 53 HZ1 LYS 53 9.565 -11.678 10.388 433 HZ2 LYS 53 HZ2 LYS 53 8.733 -10.770 9.228 434 HZ3 LYS 53 HZ3 LYS 53 8.905 -12.441 9.030 435 H GLY 54 H GLY 54 5.154 -7.228 13.959 436 HA2 GLY 54 HA3 GLY 54 6.233 -5.145 14.972 437 HA3 GLY 54 HA2 GLY 54 7.507 -5.460 13.804 438 H ILE 55 H ILE 55 7.177 -3.438 12.819 439 HA ILE 55 HA ILE 55 4.744 -3.315 11.157 440 HB ILE 55 HB ILE 55 6.216 -0.868 12.105 441 HG12 ILE 55 HG13 ILE 55 5.346 -2.140 14.062 442 HG13 ILE 55 HG12 ILE 55 4.553 -0.583 13.848 443 HG21 ILE 55 HG21 ILE 55 3.370 -1.139 11.175 444 HG22 ILE 55 HG22 ILE 55 4.713 -0.818 10.078 445 HG23 ILE 55 HG23 ILE 55 4.325 0.332 11.356 446 HD11 ILE 55 HD11 ILE 55 2.730 -1.867 12.626 447 HD12 ILE 55 HD12 ILE 55 2.840 -2.076 14.374 448 HD13 ILE 55 HD13 ILE 55 3.473 -3.319 13.295 449 H GLU 56 H GLU 56 5.085 -3.188 9.036 450 HA GLU 56 HA GLU 56 7.786 -2.465 8.106 451 HB2 GLU 56 HB3 GLU 56 5.833 -4.473 6.983 452 HB3 GLU 56 HB2 GLU 56 7.259 -3.919 6.114 453 HG2 GLU 56 HG3 GLU 56 7.914 -4.807 8.786 454 HG3 GLU 56 HG2 GLU 56 7.096 -6.064 7.859 455 H GLU 57 H GLU 57 7.911 -0.734 6.854 456 HA GLU 57 HA GLU 57 5.443 0.246 5.583 457 HB2 GLU 57 HB3 GLU 57 6.675 2.498 5.644 458 HB3 GLU 57 HB2 GLU 57 6.030 1.873 7.156 459 HG2 GLU 57 HG3 GLU 57 8.861 1.325 6.383 460 HG3 GLU 57 HG2 GLU 57 8.409 2.871 7.099 461 H TYR 58 H TYR 58 5.701 1.427 3.577 462 HA TYR 58 HA TYR 58 8.043 0.574 2.014 463 HB2 TYR 58 HB3 TYR 58 5.201 0.724 0.991 464 HB3 TYR 58 HB2 TYR 58 6.613 0.184 0.092 465 HD1 TYR 58 HD1 TYR 58 4.821 -0.626 3.277 466 HD2 TYR 58 HD2 TYR 58 6.915 -2.089 -0.127 467 HE1 TYR 58 HE1 TYR 58 4.402 -2.932 4.017 468 HE2 TYR 58 HE2 TYR 58 6.501 -4.399 0.605 469 HH TYR 58 HH TYR 58 4.280 -5.184 3.052 470 H THR 59 H THR 59 7.860 1.854 -0.237 471 HA THR 59 HA THR 59 7.169 4.650 0.297 472 HB THR 59 HB THR 59 9.856 3.739 -0.750 473 HG1 THR 59 HG1 THR 59 10.611 4.650 1.205 474 HG21 THR 59 HG21 THR 59 9.226 5.843 -1.764 475 HG22 THR 59 HG22 THR 59 10.511 6.084 -0.581 476 HG23 THR 59 HG23 THR 59 8.850 6.515 -0.177 477 H ILE 60 H ILE 60 6.065 5.497 -1.337 478 HA ILE 60 HA ILE 60 5.730 4.034 -3.787 479 HB ILE 60 HB ILE 60 4.715 6.805 -3.154 480 HG12 ILE 60 HG13 ILE 60 3.394 4.130 -2.642 481 HG13 ILE 60 HG12 ILE 60 4.030 5.210 -1.406 482 HG21 ILE 60 HG21 ILE 60 4.314 4.881 -5.342 483 HG22 ILE 60 HG22 ILE 60 4.175 6.639 -5.333 484 HG23 ILE 60 HG23 ILE 60 2.850 5.646 -4.724 485 HD11 ILE 60 HD11 ILE 60 2.180 6.605 -3.099 486 HD12 ILE 60 HD12 ILE 60 2.140 6.353 -1.355 487 HD13 ILE 60 HD13 ILE 60 1.446 5.146 -2.436 488 H LEU 61 H LEU 61 6.897 4.238 -5.573 489 HA LEU 61 HA LEU 61 8.838 6.395 -5.780 490 HB2 LEU 61 HB3 LEU 61 8.386 3.965 -7.513 491 HB3 LEU 61 HB2 LEU 61 9.695 5.113 -7.713 492 HG LEU 61 HG LEU 61 9.268 3.314 -5.326 493 HD11 LEU 61 HD11 LEU 61 11.419 2.316 -6.114 494 HD12 LEU 61 HD12 LEU 61 11.245 3.255 -7.596 495 HD13 LEU 61 HD13 LEU 61 10.043 2.033 -7.180 496 HD21 LEU 61 HD21 LEU 61 10.242 5.434 -4.654 497 HD22 LEU 61 HD22 LEU 61 11.460 5.298 -5.921 498 HD23 LEU 61 HD23 LEU 61 11.451 4.153 -4.581 499 H GLN 62 H GLN 62 5.738 5.601 -6.987 500 HA GLN 62 HA GLN 62 5.403 8.037 -8.321 501 HB2 GLN 62 HB3 GLN 62 6.934 6.424 -9.869 502 HB3 GLN 62 HB2 GLN 62 5.331 5.960 -10.421 503 HG2 GLN 62 HG3 GLN 62 5.241 7.755 -11.701 504 HG3 GLN 62 HG2 GLN 62 5.413 8.788 -10.283 505 HE21 GLN 62 HE22 GLN 62 6.905 10.254 -10.666 506 HE22 GLN 62 HE21 GLN 62 8.437 9.979 -11.414 507 H ILE 63 H ILE 63 3.337 8.065 -9.628 508 HA ILE 63 HA ILE 63 1.463 6.020 -8.631 509 HB ILE 63 HB ILE 63 0.785 8.933 -9.020 510 HG12 ILE 63 HG13 ILE 63 2.419 8.630 -7.184 511 HG13 ILE 63 HG12 ILE 63 0.844 9.156 -6.595 512 HG21 ILE 63 HG21 ILE 63 -1.298 8.444 -8.075 513 HG22 ILE 63 HG22 ILE 63 -0.750 6.889 -7.449 514 HG23 ILE 63 HG23 ILE 63 -0.996 7.105 -9.183 515 HD11 ILE 63 HD11 ILE 63 1.711 6.282 -6.605 516 HD12 ILE 63 HD12 ILE 63 0.340 7.002 -5.764 517 HD13 ILE 63 HD13 ILE 63 1.984 7.375 -5.248 518 HA PRO 64 HA PRO 64 1.133 5.989 -13.212 519 HB2 PRO 64 HB2 PRO 64 0.371 3.386 -13.370 520 HB3 PRO 64 HB3 PRO 64 2.062 3.890 -13.263 521 HG2 PRO 64 HG3 PRO 64 0.241 2.894 -11.105 522 HG3 PRO 64 HG2 PRO 64 1.937 2.480 -11.417 523 HD2 PRO 64 HD3 PRO 64 1.204 4.247 -9.505 524 HD3 PRO 64 HD2 PRO 64 2.722 4.404 -10.413 525 H ALA 65 H ALA 65 -1.065 5.481 -10.645 526 HA ALA 65 HA ALA 65 -3.323 5.675 -10.463 527 HB1 ALA 65 HB1 ALA 65 -2.757 7.718 -11.895 528 HB2 ALA 65 HB2 ALA 65 -4.433 7.169 -11.882 529 HB3 ALA 65 HB3 ALA 65 -3.389 6.784 -13.251 530 H LEU 66 H LEU 66 -2.512 3.178 -11.091 531 HA LEU 66 HA LEU 66 -4.253 2.251 -13.261 532 HB2 LEU 66 HB3 LEU 66 -1.767 1.282 -12.032 533 HB3 LEU 66 HB2 LEU 66 -2.945 0.024 -12.359 534 HG LEU 66 HG LEU 66 -2.986 0.608 -14.711 535 HD11 LEU 66 HD11 LEU 66 -0.971 2.303 -15.269 536 HD12 LEU 66 HD12 LEU 66 -1.541 2.984 -13.747 537 HD13 LEU 66 HD13 LEU 66 -2.654 2.800 -15.101 538 HD21 LEU 66 HD21 LEU 66 -0.995 -0.696 -13.463 539 HD22 LEU 66 HD22 LEU 66 -0.073 0.583 -14.251 540 HD23 LEU 66 HD23 LEU 66 -1.082 -0.496 -15.213 541 H LYS 67 H LYS 67 -5.197 -0.038 -12.747 542 HA LYS 67 HA LYS 67 -6.689 0.242 -10.236 543 HB2 LYS 67 HB3 LYS 67 -7.882 0.095 -12.477 544 HB3 LYS 67 HB2 LYS 67 -7.356 -1.582 -12.544 545 HG2 LYS 67 HG3 LYS 67 -9.556 -1.620 -11.720 546 HG3 LYS 67 HG2 LYS 67 -8.513 -1.905 -10.325 547 HD2 LYS 67 HD3 LYS 67 -9.932 -0.330 -9.454 548 HD3 LYS 67 HD2 LYS 67 -8.667 0.717 -10.100 549 HE2 LYS 67 HE3 LYS 67 -10.203 0.557 -12.268 550 HE3 LYS 67 HE2 LYS 67 -11.443 0.269 -11.049 551 HZ1 LYS 67 HZ1 LYS 67 -10.543 2.341 -9.933 552 HZ2 LYS 67 HZ2 LYS 67 -11.410 2.569 -11.368 553 HZ3 LYS 67 HZ3 LYS 67 -9.721 2.651 -11.379 554 H ASN 68 H ASN 68 -4.741 -2.020 -12.101 555 HA ASN 68 HA ASN 68 -4.093 -3.478 -9.691 556 HB2 ASN 68 HB3 ASN 68 -4.739 -5.680 -10.630 557 HB3 ASN 68 HB2 ASN 68 -6.128 -4.636 -10.344 558 HD21 ASN 68 HD22 ASN 68 -5.598 -6.924 -12.209 559 HD22 ASN 68 HD21 ASN 68 -6.056 -6.329 -13.764 560 H VAL 69 H VAL 69 -1.945 -3.283 -9.875 561 HA VAL 69 HA VAL 69 -0.633 -3.534 -12.447 562 HB VAL 69 HB VAL 69 0.660 -3.185 -9.743 563 HG11 VAL 69 HG11 VAL 69 2.348 -3.790 -11.209 564 HG12 VAL 69 HG12 VAL 69 2.381 -2.029 -11.299 565 HG13 VAL 69 HG13 VAL 69 1.599 -2.963 -12.574 566 HG21 VAL 69 HG21 VAL 69 0.605 -0.826 -10.066 567 HG22 VAL 69 HG22 VAL 69 -1.041 -1.420 -10.291 568 HG23 VAL 69 HG23 VAL 69 -0.055 -1.003 -11.692 569 HA PRO 70 HA PRO 70 -0.282 -8.003 -11.893 570 HB2 PRO 70 HB2 PRO 70 1.618 -7.596 -14.149 571 HB3 PRO 70 HB3 PRO 70 0.284 -8.744 -13.994 572 HG2 PRO 70 HG3 PRO 70 0.047 -6.594 -15.544 573 HG3 PRO 70 HG2 PRO 70 -1.317 -7.163 -14.562 574 HD2 PRO 70 HD3 PRO 70 0.517 -4.850 -14.103 575 HD3 PRO 70 HD2 PRO 70 -1.224 -4.993 -13.783 576 H ARG 71 H ARG 71 1.503 -9.517 -11.523 577 HA ARG 71 HA ARG 71 3.493 -8.378 -9.823 578 HB2 ARG 71 HB3 ARG 71 2.302 -10.716 -9.730 579 HB3 ARG 71 HB2 ARG 71 3.621 -11.210 -10.783 580 HG2 ARG 71 HG3 ARG 71 4.890 -11.507 -8.999 581 HG3 ARG 71 HG2 ARG 71 4.793 -9.777 -8.669 582 HD2 ARG 71 HD3 ARG 71 2.392 -10.674 -7.723 583 HD3 ARG 71 HD2 ARG 71 3.459 -12.027 -7.352 584 HE ARG 71 HE ARG 71 4.494 -10.736 -5.766 585 HH11 ARG 71 HH11 ARG 71 2.552 -8.683 -7.813 586 HH12 ARG 71 HH12 ARG 71 2.761 -7.282 -6.819 587 HH21 ARG 71 HH22 ARG 71 4.770 -8.894 -4.456 588 HH22 ARG 71 HH21 ARG 71 4.021 -7.400 -4.913 589 H LYS 72 H LYS 72 4.492 -6.978 -11.452 590 HA LYS 72 HA LYS 72 6.947 -7.995 -12.350 591 HB2 LYS 72 HB3 LYS 72 4.898 -8.663 -14.091 592 HB3 LYS 72 HB2 LYS 72 5.597 -7.226 -14.821 593 HG2 LYS 72 HG3 LYS 72 7.487 -8.282 -15.405 594 HG3 LYS 72 HG2 LYS 72 7.550 -9.217 -13.909 595 HD2 LYS 72 HD3 LYS 72 5.337 -10.228 -15.238 596 HD3 LYS 72 HD2 LYS 72 6.515 -9.953 -16.522 597 HE2 LYS 72 HE3 LYS 72 7.964 -11.103 -14.431 598 HE3 LYS 72 HE2 LYS 72 6.448 -12.003 -14.491 599 HZ1 LYS 72 HZ1 LYS 72 7.062 -11.889 -17.076 600 HZ2 LYS 72 HZ2 LYS 72 7.545 -13.154 -16.062 601 HZ3 LYS 72 HZ3 LYS 72 8.618 -11.897 -16.416 602 H ASP 73 H ASP 73 4.434 -5.576 -12.975 603 HA ASP 73 HA ASP 73 6.509 -3.535 -13.337 604 HB2 ASP 73 HB3 ASP 73 3.537 -3.491 -13.893 605 HB3 ASP 73 HB2 ASP 73 4.594 -2.095 -14.084 606 H THR 74 H THR 74 5.853 -4.707 -10.733 607 HA THR 74 HA THR 74 4.845 -2.298 -9.366 608 HB THR 74 HB THR 74 3.335 -4.122 -8.970 609 HG1 THR 74 HG1 THR 74 3.610 -4.362 -6.689 610 HG21 THR 74 HG21 THR 74 4.886 -5.973 -9.520 611 HG22 THR 74 HG22 THR 74 3.950 -6.236 -8.048 612 HG23 THR 74 HG23 THR 74 5.643 -5.752 -7.943 613 H HIS 75 H HIS 75 7.569 -2.734 -10.211 614 HA HIS 75 HA HIS 75 8.922 -3.073 -7.620 615 HB2 HIS 75 HB3 HIS 75 9.502 -4.480 -9.773 616 HB3 HIS 75 HB2 HIS 75 10.420 -3.041 -10.207 617 HD1 HIS 75 HD1 HIS 75 10.085 -4.916 -6.905 618 HD2 HIS 75 HD2 HIS 75 12.986 -3.548 -9.546 619 HE1 HIS 75 HE1 HIS 75 12.289 -5.494 -5.840 620 HE2 HIS 75 HE2 HIS 75 14.029 -4.575 -7.414 621 H LEU 76 H LEU 76 8.291 -0.879 -10.226 622 HA LEU 76 HA LEU 76 10.157 1.077 -9.070 623 HB2 LEU 76 HB3 LEU 76 9.167 0.532 -11.790 624 HB3 LEU 76 HB2 LEU 76 9.290 2.231 -11.371 625 HG LEU 76 HG LEU 76 11.644 0.509 -10.791 626 HD11 LEU 76 HD11 LEU 76 11.247 -0.318 -12.946 627 HD12 LEU 76 HD12 LEU 76 12.412 0.986 -13.174 628 HD13 LEU 76 HD13 LEU 76 10.708 1.251 -13.544 629 HD21 LEU 76 HD21 LEU 76 11.025 3.344 -11.359 630 HD22 LEU 76 HD22 LEU 76 12.578 2.740 -11.934 631 HD23 LEU 76 HD23 LEU 76 12.171 2.637 -10.220 632 H TYR 77 H TYR 77 7.317 0.297 -8.221 633 HA TYR 77 HA TYR 77 6.187 3.016 -8.299 634 HB2 TYR 77 HB3 TYR 77 4.784 0.342 -8.239 635 HB3 TYR 77 HB2 TYR 77 3.964 1.867 -7.919 636 HD1 TYR 77 HD1 TYR 77 5.198 3.633 -9.930 637 HD2 TYR 77 HD2 TYR 77 3.890 -0.400 -10.257 638 HE1 TYR 77 HE1 TYR 77 4.845 3.951 -12.342 639 HE2 TYR 77 HE2 TYR 77 3.532 -0.095 -12.671 640 HH TYR 77 HH TYR 77 3.607 2.997 -14.165 641 H ILE 78 H ILE 78 6.784 0.146 -6.349 642 HA ILE 78 HA ILE 78 6.823 1.784 -3.958 643 HB ILE 78 HB ILE 78 4.466 1.119 -4.082 644 HG12 ILE 78 HG13 ILE 78 5.776 -0.518 -1.916 645 HG13 ILE 78 HG12 ILE 78 5.798 1.243 -1.892 646 HG21 ILE 78 HG21 ILE 78 3.937 -1.330 -3.748 647 HG22 ILE 78 HG22 ILE 78 5.607 -1.659 -4.209 648 HG23 ILE 78 HG23 ILE 78 4.516 -0.871 -5.349 649 HD11 ILE 78 HD11 ILE 78 3.930 -0.198 -0.672 650 HD12 ILE 78 HD12 ILE 78 3.170 -0.055 -2.256 651 HD13 ILE 78 HD13 ILE 78 3.609 1.396 -1.355 652 H ALA 79 H ALA 79 8.181 1.001 -2.407 653 HA ALA 79 HA ALA 79 9.155 -1.741 -2.612 654 HB1 ALA 79 HB1 ALA 79 10.637 -0.340 -4.037 655 HB2 ALA 79 HB2 ALA 79 11.472 -1.124 -2.696 656 HB3 ALA 79 HB3 ALA 79 11.065 0.590 -2.600 657 HA PRO 80 HA PRO 80 8.796 -1.536 1.804 658 HB2 PRO 80 HB2 PRO 80 11.106 -3.409 1.774 659 HB3 PRO 80 HB3 PRO 80 9.531 -3.577 2.557 660 HG2 PRO 80 HG3 PRO 80 10.104 -4.946 0.345 661 HG3 PRO 80 HG2 PRO 80 8.487 -4.267 0.605 662 HD2 PRO 80 HD3 PRO 80 10.691 -3.295 -1.162 663 HD3 PRO 80 HD2 PRO 80 8.936 -3.288 -1.434 664 H LYS 81 H LYS 81 9.566 -0.020 3.121 665 HA LYS 81 HA LYS 81 12.349 0.861 2.784 666 HB2 LYS 81 HB3 LYS 81 10.488 2.529 2.475 667 HB3 LYS 81 HB2 LYS 81 10.111 2.329 4.181 668 HG2 LYS 81 HG3 LYS 81 12.920 2.948 3.615 669 HG3 LYS 81 HG2 LYS 81 11.774 4.215 3.173 670 HD2 LYS 81 HD3 LYS 81 11.051 4.500 5.357 671 HD3 LYS 81 HD2 LYS 81 11.591 2.895 5.852 672 HE2 LYS 81 HE3 LYS 81 13.086 4.457 6.832 673 HE3 LYS 81 HE2 LYS 81 13.947 3.691 5.496 674 HZ1 LYS 81 HZ1 LYS 81 14.037 5.604 4.341 675 HZ2 LYS 81 HZ2 LYS 81 13.854 6.318 5.864 676 HZ3 LYS 81 HZ3 LYS 81 12.513 6.133 4.850 677 H THR 82 H THR 82 13.496 -0.470 4.112 678 HA THR 82 HA THR 82 12.833 -0.329 6.976 679 HB THR 82 HB THR 82 14.173 -2.685 6.821 680 HG1 THR 82 HG1 THR 82 14.222 -2.809 4.613 681 HG21 THR 82 HG21 THR 82 12.308 -3.566 7.645 682 HG22 THR 82 HG22 THR 82 11.357 -3.100 6.235 683 HG23 THR 82 HG23 THR 82 11.641 -1.938 7.531 684 H LYS 83 H LYS 83 14.468 0.186 8.323 685 HA LYS 83 HA LYS 83 17.204 0.201 7.246 686 HB2 LYS 83 HB3 LYS 83 16.004 2.436 8.889 687 HB3 LYS 83 HB2 LYS 83 17.626 2.382 8.213 688 HG2 LYS 83 HG3 LYS 83 15.418 2.088 6.284 689 HG3 LYS 83 HG2 LYS 83 15.568 3.664 7.063 690 HD2 LYS 83 HD3 LYS 83 17.476 4.159 5.973 691 HD3 LYS 83 HD2 LYS 83 18.098 2.513 6.110 692 HE2 LYS 83 HE3 LYS 83 16.335 1.918 4.341 693 HE3 LYS 83 HE2 LYS 83 16.225 3.654 4.061 694 HZ1 LYS 83 HZ1 LYS 83 18.844 3.344 3.943 695 HZ2 LYS 83 HZ2 LYS 83 17.847 3.174 2.587 696 HZ3 LYS 83 HZ3 LYS 83 18.380 1.803 3.421 697 H GLU 84 H GLU 84 18.840 0.549 9.044 698 HA GLU 84 HA GLU 84 17.951 -0.468 11.633 699 HB2 GLU 84 HB3 GLU 84 20.252 -1.745 10.151 700 HB3 GLU 84 HB2 GLU 84 19.566 -2.247 11.689 701 HG2 GLU 84 HG3 GLU 84 18.071 -2.291 9.080 702 HG3 GLU 84 HG2 GLU 84 18.927 -3.674 9.760 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -4.963 7.305 -7.977 2 H2 MET 1 H2 MET 1 -4.412 8.135 -6.581 3 H3 MET 1 H3 MET 1 -6.092 7.869 -6.813 4 HA MET 1 HA MET 1 -5.889 5.598 -6.492 5 HB2 MET 1 HB3 MET 1 -3.425 5.930 -7.626 6 HB3 MET 1 HB2 MET 1 -2.993 5.623 -5.949 7 HG2 MET 1 HG3 MET 1 -3.276 3.459 -6.267 8 HG3 MET 1 HG2 MET 1 -4.968 3.735 -6.677 9 HE1 MET 1 HE1 MET 1 -1.473 2.461 -8.551 10 HE2 MET 1 HE2 MET 1 -1.459 4.052 -7.789 11 HE3 MET 1 HE3 MET 1 -1.466 3.916 -9.548 12 H ARG 2 H ARG 2 -5.410 4.489 -4.416 13 HA ARG 2 HA ARG 2 -4.647 6.282 -2.234 14 HB2 ARG 2 HB3 ARG 2 -6.672 5.350 -0.944 15 HB3 ARG 2 HB2 ARG 2 -6.957 6.621 -2.123 16 HG2 ARG 2 HG3 ARG 2 -7.169 3.861 -3.130 17 HG3 ARG 2 HG2 ARG 2 -8.404 4.367 -1.976 18 HD2 ARG 2 HD3 ARG 2 -8.424 6.513 -3.552 19 HD3 ARG 2 HD2 ARG 2 -7.855 5.330 -4.728 20 HE ARG 2 HE ARG 2 -10.010 4.133 -3.576 21 HH11 ARG 2 HH11 ARG 2 -9.486 7.193 -5.167 22 HH12 ARG 2 HH12 ARG 2 -11.107 7.300 -5.769 23 HH21 ARG 2 HH22 ARG 2 -12.142 4.271 -4.366 24 HH22 ARG 2 HH21 ARG 2 -12.615 5.642 -5.313 25 H ILE 3 H ILE 3 -4.305 5.128 -0.187 26 HA ILE 3 HA ILE 3 -2.623 2.951 -0.412 27 HB ILE 3 HB ILE 3 -2.679 4.352 1.569 28 HG12 ILE 3 HG13 ILE 3 -1.997 1.821 1.550 29 HG13 ILE 3 HG12 ILE 3 -2.069 2.704 3.067 30 HG21 ILE 3 HG21 ILE 3 -5.035 4.778 1.750 31 HG22 ILE 3 HG22 ILE 3 -4.462 4.067 3.257 32 HG23 ILE 3 HG23 ILE 3 -5.358 3.081 2.103 33 HD11 ILE 3 HD11 ILE 3 -3.685 1.392 3.870 34 HD12 ILE 3 HD12 ILE 3 -3.240 0.292 2.568 35 HD13 ILE 3 HD13 ILE 3 -4.585 1.410 2.355 36 H ASP 4 H ASP 4 -6.082 2.997 -0.375 37 HA ASP 4 HA ASP 4 -6.455 0.288 0.433 38 HB2 ASP 4 HB3 ASP 4 -8.237 1.962 0.657 39 HB3 ASP 4 HB2 ASP 4 -8.306 2.132 -1.094 40 H LYS 5 H LYS 5 -6.724 1.885 -2.749 41 HA LYS 5 HA LYS 5 -6.695 -0.710 -4.062 42 HB2 LYS 5 HB3 LYS 5 -7.682 1.918 -4.687 43 HB3 LYS 5 HB2 LYS 5 -6.656 1.341 -5.993 44 HG2 LYS 5 HG3 LYS 5 -8.135 -0.857 -5.586 45 HG3 LYS 5 HG2 LYS 5 -9.287 0.378 -5.075 46 HD2 LYS 5 HD3 LYS 5 -8.170 1.374 -7.425 47 HD3 LYS 5 HD2 LYS 5 -8.410 -0.346 -7.737 48 HE2 LYS 5 HE3 LYS 5 -10.572 1.353 -6.536 49 HE3 LYS 5 HE2 LYS 5 -10.335 1.262 -8.280 50 HZ1 LYS 5 HZ1 LYS 5 -11.895 -0.375 -7.848 51 HZ2 LYS 5 HZ2 LYS 5 -11.147 -0.874 -6.414 52 HZ3 LYS 5 HZ3 LYS 5 -10.452 -1.256 -7.908 53 H PHE 6 H PHE 6 -4.344 1.390 -2.998 54 HA PHE 6 HA PHE 6 -2.590 1.278 -5.262 55 HB2 PHE 6 HB3 PHE 6 -2.558 3.130 -3.605 56 HB3 PHE 6 HB2 PHE 6 -1.927 2.007 -2.406 57 HD1 PHE 6 HD2 PHE 6 -1.185 3.287 -5.826 58 HD2 PHE 6 HD1 PHE 6 0.353 1.833 -2.134 59 HE1 PHE 6 HE2 PHE 6 1.102 3.763 -6.596 60 HE2 PHE 6 HE1 PHE 6 2.643 2.308 -2.897 61 HZ PHE 6 HZ PHE 6 3.020 3.275 -5.132 62 H LEU 7 H LEU 7 -2.083 0.011 -1.954 63 HA LEU 7 HA LEU 7 -0.112 -1.836 -2.935 64 HB2 LEU 7 HB3 LEU 7 0.125 -2.511 -0.601 65 HB3 LEU 7 HB2 LEU 7 0.216 -0.772 -0.794 66 HG LEU 7 HG LEU 7 -2.320 -0.836 -0.167 67 HD11 LEU 7 HD11 LEU 7 -1.877 -3.001 1.664 68 HD12 LEU 7 HD12 LEU 7 -1.699 -3.569 0.005 69 HD13 LEU 7 HD13 LEU 7 -3.185 -2.766 0.507 70 HD21 LEU 7 HD21 LEU 7 -0.008 -1.194 1.722 71 HD22 LEU 7 HD22 LEU 7 -1.640 -0.814 2.273 72 HD23 LEU 7 HD23 LEU 7 -0.784 0.306 1.212 73 H GLN 8 H GLN 8 -3.473 -1.954 -2.622 74 HA GLN 8 HA GLN 8 -3.568 -4.825 -2.180 75 HB2 GLN 8 HB3 GLN 8 -5.785 -2.841 -2.686 76 HB3 GLN 8 HB2 GLN 8 -6.008 -4.529 -2.243 77 HG2 GLN 8 HG3 GLN 8 -4.717 -4.028 -0.141 78 HG3 GLN 8 HG2 GLN 8 -4.834 -2.322 -0.575 79 HE21 GLN 8 HE22 GLN 8 -5.879 -2.665 1.702 80 HE22 GLN 8 HE21 GLN 8 -7.601 -2.815 1.684 81 H SER 9 H SER 9 -3.743 -2.545 -4.795 82 HA SER 9 HA SER 9 -4.773 -4.534 -6.654 83 HB2 SER 9 HB3 SER 9 -3.893 -1.682 -7.169 84 HB3 SER 9 HB2 SER 9 -4.755 -2.726 -8.299 85 HG SER 9 HG SER 9 -5.766 -2.010 -5.750 86 H VAL 10 H VAL 10 -1.772 -2.867 -5.895 87 HA VAL 10 HA VAL 10 -0.279 -3.628 -8.142 88 HB VAL 10 HB VAL 10 1.721 -3.266 -6.733 89 HG11 VAL 10 HG11 VAL 10 -0.502 -1.310 -6.916 90 HG12 VAL 10 HG12 VAL 10 1.112 -1.262 -7.625 91 HG13 VAL 10 HG13 VAL 10 0.888 -0.881 -5.918 92 HG21 VAL 10 HG21 VAL 10 1.080 -4.148 -4.633 93 HG22 VAL 10 HG22 VAL 10 -0.326 -3.087 -4.535 94 HG23 VAL 10 HG23 VAL 10 1.298 -2.414 -4.391 95 H GLY 11 H GLY 11 -0.971 -5.306 -5.124 96 HA2 GLY 11 HA3 GLY 11 -1.112 -7.768 -5.338 97 HA3 GLY 11 HA2 GLY 11 0.399 -7.681 -6.230 98 H LEU 12 H LEU 12 -0.799 -6.388 -3.127 99 HA LEU 12 HA LEU 12 1.554 -7.600 -1.836 100 HB2 LEU 12 HB3 LEU 12 0.784 -4.829 -1.984 101 HB3 LEU 12 HB2 LEU 12 0.785 -5.361 -0.314 102 HG LEU 12 HG LEU 12 3.142 -5.872 -2.102 103 HD11 LEU 12 HD11 LEU 12 3.909 -3.731 -0.635 104 HD12 LEU 12 HD12 LEU 12 2.227 -3.321 -0.970 105 HD13 LEU 12 HD13 LEU 12 3.338 -3.644 -2.301 106 HD21 LEU 12 HD21 LEU 12 2.678 -6.917 0.254 107 HD22 LEU 12 HD22 LEU 12 3.224 -5.343 0.831 108 HD23 LEU 12 HD23 LEU 12 4.289 -6.334 -0.165 109 H VAL 13 H VAL 13 -1.741 -6.381 -1.392 110 HA VAL 13 HA VAL 13 -2.106 -8.386 0.734 111 HB VAL 13 HB VAL 13 -3.369 -5.642 0.732 112 HG11 VAL 13 HG11 VAL 13 -4.822 -6.972 1.928 113 HG12 VAL 13 HG12 VAL 13 -3.733 -6.413 3.197 114 HG13 VAL 13 HG13 VAL 13 -3.539 -8.029 2.517 115 HG21 VAL 13 HG21 VAL 13 -1.298 -6.536 2.698 116 HG22 VAL 13 HG22 VAL 13 -1.804 -4.901 2.270 117 HG23 VAL 13 HG23 VAL 13 -0.816 -5.839 1.151 118 H LYS 14 H LYS 14 -4.285 -9.160 0.992 119 HA LYS 14 HA LYS 14 -5.627 -9.455 -1.540 120 HB2 LYS 14 HB3 LYS 14 -6.517 -10.498 1.150 121 HB3 LYS 14 HB2 LYS 14 -6.999 -11.086 -0.435 122 HG2 LYS 14 HG3 LYS 14 -4.193 -11.251 -0.340 123 HG3 LYS 14 HG2 LYS 14 -4.794 -11.882 1.195 124 HD2 LYS 14 HD3 LYS 14 -5.060 -13.803 0.060 125 HD3 LYS 14 HD2 LYS 14 -6.511 -13.031 -0.583 126 HE2 LYS 14 HE3 LYS 14 -5.435 -13.761 -2.501 127 HE3 LYS 14 HE2 LYS 14 -4.918 -12.080 -2.384 128 HZ1 LYS 14 HZ1 LYS 14 -2.802 -12.667 -1.952 129 HZ2 LYS 14 HZ2 LYS 14 -3.239 -14.103 -2.734 130 HZ3 LYS 14 HZ3 LYS 14 -3.230 -14.029 -1.044 131 H ARG 15 H ARG 15 -7.238 -8.240 -2.260 132 HA ARG 15 HA ARG 15 -8.380 -6.190 -0.595 133 HB2 ARG 15 HB3 ARG 15 -9.531 -5.466 -2.612 134 HB3 ARG 15 HB2 ARG 15 -7.835 -5.773 -2.961 135 HG2 ARG 15 HG3 ARG 15 -8.919 -8.184 -3.544 136 HG3 ARG 15 HG2 ARG 15 -10.246 -7.103 -3.973 137 HD2 ARG 15 HD3 ARG 15 -9.136 -7.041 -5.946 138 HD3 ARG 15 HD2 ARG 15 -8.238 -5.771 -5.117 139 HE ARG 15 HE ARG 15 -6.844 -7.998 -4.497 140 HH11 ARG 15 HH11 ARG 15 -7.970 -6.670 -7.522 141 HH12 ARG 15 HH12 ARG 15 -6.660 -7.330 -8.442 142 HH21 ARG 15 HH22 ARG 15 -5.121 -8.865 -5.706 143 HH22 ARG 15 HH21 ARG 15 -5.043 -8.577 -7.412 144 H ARG 16 H ARG 16 -9.169 -8.130 0.819 145 HA ARG 16 HA ARG 16 -11.460 -9.571 -0.008 146 HB2 ARG 16 HB3 ARG 16 -9.838 -9.353 2.350 147 HB3 ARG 16 HB2 ARG 16 -11.534 -9.271 2.807 148 HG2 ARG 16 HG3 ARG 16 -11.499 -11.349 1.019 149 HG3 ARG 16 HG2 ARG 16 -9.957 -11.526 1.857 150 HD2 ARG 16 HD3 ARG 16 -10.939 -12.169 3.766 151 HD3 ARG 16 HD2 ARG 16 -12.198 -10.941 3.637 152 HE ARG 16 HE ARG 16 -12.912 -12.754 1.763 153 HH11 ARG 16 HH11 ARG 16 -12.118 -13.011 5.152 154 HH12 ARG 16 HH12 ARG 16 -13.152 -14.375 5.419 155 HH21 ARG 16 HH22 ARG 16 -14.273 -14.546 2.112 156 HH22 ARG 16 HH21 ARG 16 -14.375 -15.247 3.693 157 H VAL 17 H VAL 17 -13.317 -8.650 -0.567 158 HA VAL 17 HA VAL 17 -15.181 -7.344 -0.541 159 HB VAL 17 HB VAL 17 -14.581 -6.768 2.357 160 HG11 VAL 17 HG11 VAL 17 -17.120 -6.887 0.740 161 HG12 VAL 17 HG12 VAL 17 -16.393 -5.467 1.490 162 HG13 VAL 17 HG13 VAL 17 -17.071 -6.745 2.498 163 HG21 VAL 17 HG21 VAL 17 -16.292 -8.851 2.468 164 HG22 VAL 17 HG22 VAL 17 -14.540 -9.012 2.594 165 HG23 VAL 17 HG23 VAL 17 -15.343 -9.296 1.050 166 H LEU 18 H LEU 18 -15.945 -5.118 -0.426 167 HA LEU 18 HA LEU 18 -14.035 -3.266 -1.286 168 HB2 LEU 18 HB3 LEU 18 -16.898 -3.239 -0.639 169 HB3 LEU 18 HB2 LEU 18 -16.105 -1.691 -0.417 170 HG LEU 18 HG LEU 18 -15.257 -1.879 -2.776 171 HD11 LEU 18 HD11 LEU 18 -15.766 -3.600 -4.137 172 HD12 LEU 18 HD12 LEU 18 -17.358 -3.840 -3.418 173 HD13 LEU 18 HD13 LEU 18 -15.924 -4.481 -2.617 174 HD21 LEU 18 HD21 LEU 18 -18.097 -1.577 -1.978 175 HD22 LEU 18 HD22 LEU 18 -17.735 -1.653 -3.702 176 HD23 LEU 18 HD23 LEU 18 -16.990 -0.408 -2.697 177 H ALA 19 H ALA 19 -15.546 -3.714 1.883 178 HA ALA 19 HA ALA 19 -14.331 -1.459 3.105 179 HB1 ALA 19 HB1 ALA 19 -15.319 -3.943 4.493 180 HB2 ALA 19 HB2 ALA 19 -16.373 -2.644 3.937 181 HB3 ALA 19 HB3 ALA 19 -15.153 -2.323 5.170 182 H THR 20 H THR 20 -12.307 -1.181 3.754 183 HA THR 20 HA THR 20 -10.526 -3.504 3.860 184 HB THR 20 HB THR 20 -9.926 -0.541 3.749 185 HG1 THR 20 HG1 THR 20 -9.759 -2.618 1.835 186 HG21 THR 20 HG21 THR 20 -8.083 -2.899 3.865 187 HG22 THR 20 HG22 THR 20 -8.066 -1.434 4.847 188 HG23 THR 20 HG23 THR 20 -7.605 -1.361 3.147 189 H ASP 21 H ASP 21 -10.759 -4.394 5.855 190 HA ASP 21 HA ASP 21 -11.103 -2.928 8.247 191 HB2 ASP 21 HB3 ASP 21 -10.261 -5.771 7.696 192 HB3 ASP 21 HB2 ASP 21 -10.425 -5.140 9.331 193 H MET 22 H MET 22 -8.333 -3.569 6.351 194 HA MET 22 HA MET 22 -6.291 -3.730 8.214 195 HB2 MET 22 HB3 MET 22 -6.535 -3.142 5.401 196 HB3 MET 22 HB2 MET 22 -5.307 -2.117 6.129 197 HG2 MET 22 HG3 MET 22 -4.091 -3.953 5.478 198 HG3 MET 22 HG2 MET 22 -4.432 -4.316 7.169 199 HE1 MET 22 HE1 MET 22 -4.672 -7.029 7.456 200 HE2 MET 22 HE2 MET 22 -6.372 -7.432 7.211 201 HE3 MET 22 HE3 MET 22 -5.930 -5.945 8.050 202 H CYS 23 H CYS 23 -8.197 -0.974 7.255 203 HA CYS 23 HA CYS 23 -6.437 0.984 8.389 204 HB2 CYS 23 HB3 CYS 23 -8.194 2.578 7.930 205 HB3 CYS 23 HB2 CYS 23 -8.034 1.496 6.552 206 HG CYS 23 HG CYS 23 -10.292 0.502 7.038 207 H ASN 24 H ASN 24 -9.134 -0.923 9.516 208 HA ASN 24 HA ASN 24 -9.525 0.596 11.924 209 HB2 ASN 24 HB3 ASN 24 -10.903 -1.472 10.538 210 HB3 ASN 24 HB2 ASN 24 -10.582 -2.050 12.169 211 HD21 ASN 24 HD22 ASN 24 -11.342 -0.787 13.943 212 HD22 ASN 24 HD21 ASN 24 -12.715 0.245 13.752 213 H VAL 25 H VAL 25 -7.904 -2.422 11.047 214 HA VAL 25 HA VAL 25 -7.194 -3.187 13.673 215 HB VAL 25 HB VAL 25 -5.531 -4.664 12.607 216 HG11 VAL 25 HG11 VAL 25 -7.082 -6.135 11.770 217 HG12 VAL 25 HG12 VAL 25 -7.967 -4.880 10.901 218 HG13 VAL 25 HG13 VAL 25 -8.128 -5.022 12.652 219 HG21 VAL 25 HG21 VAL 25 -5.499 -4.718 10.090 220 HG22 VAL 25 HG22 VAL 25 -4.700 -3.330 10.827 221 HG23 VAL 25 HG23 VAL 25 -6.306 -3.151 10.122 222 H GLY 26 H GLY 26 -5.690 -1.086 11.300 223 HA2 GLY 26 HA3 GLY 26 -4.338 0.744 12.243 224 HA3 GLY 26 HA2 GLY 26 -3.605 -0.454 13.297 225 H ALA 27 H ALA 27 -4.178 -1.540 10.109 226 HA ALA 27 HA ALA 27 -1.354 -1.755 9.612 227 HB1 ALA 27 HB1 ALA 27 -3.826 -2.806 8.418 228 HB2 ALA 27 HB2 ALA 27 -2.266 -3.588 8.679 229 HB3 ALA 27 HB3 ALA 27 -2.502 -2.535 7.284 230 H VAL 28 H VAL 28 -4.060 -0.032 8.079 231 HA VAL 28 HA VAL 28 -2.509 1.244 6.097 232 HB VAL 28 HB VAL 28 -5.112 2.189 7.312 233 HG11 VAL 28 HG11 VAL 28 -5.260 3.089 4.837 234 HG12 VAL 28 HG12 VAL 28 -3.501 3.057 4.966 235 HG13 VAL 28 HG13 VAL 28 -4.452 4.014 6.103 236 HG21 VAL 28 HG21 VAL 28 -5.669 1.074 4.853 237 HG22 VAL 28 HG22 VAL 28 -5.956 0.322 6.423 238 HG23 VAL 28 HG23 VAL 28 -4.473 -0.027 5.535 239 H TRP 29 H TRP 29 -0.892 2.599 6.477 240 HA TRP 29 HA TRP 29 -1.296 4.778 8.390 241 HB2 TRP 29 HB3 TRP 29 0.866 2.722 8.466 242 HB3 TRP 29 HB2 TRP 29 1.271 4.373 8.915 243 HD1 TRP 29 HD1 TRP 29 -1.605 1.923 9.864 244 HE1 TRP 29 HE1 TRP 29 -1.954 2.075 12.409 245 HE3 TRP 29 HE3 TRP 29 1.956 5.424 10.964 246 HZ2 TRP 29 HZ2 TRP 29 -0.864 3.491 14.594 247 HZ3 TRP 29 HZ3 TRP 29 2.237 6.122 13.306 248 HH2 TRP 29 HH2 TRP 29 0.856 5.175 15.082 249 H LEU 30 H LEU 30 -1.172 6.539 7.176 250 HA LEU 30 HA LEU 30 0.770 6.620 4.974 251 HB2 LEU 30 HB3 LEU 30 -1.938 7.424 5.186 252 HB3 LEU 30 HB2 LEU 30 -0.986 8.883 4.988 253 HG LEU 30 HG LEU 30 0.076 7.768 2.969 254 HD11 LEU 30 HD11 LEU 30 -2.050 5.775 3.640 255 HD12 LEU 30 HD12 LEU 30 -0.374 5.506 3.160 256 HD13 LEU 30 HD13 LEU 30 -1.560 6.032 1.965 257 HD21 LEU 30 HD21 LEU 30 -1.451 8.760 1.617 258 HD22 LEU 30 HD22 LEU 30 -2.026 9.396 3.158 259 HD23 LEU 30 HD23 LEU 30 -2.825 8.005 2.426 260 H ASN 31 H ASN 31 2.440 8.004 4.992 261 HA ASN 31 HA ASN 31 3.952 9.529 5.739 262 HB2 ASN 31 HB3 ASN 31 1.597 10.975 6.959 263 HB3 ASN 31 HB2 ASN 31 3.139 11.666 6.462 264 HD21 ASN 31 HD22 ASN 31 3.370 12.375 4.437 265 HD22 ASN 31 HD21 ASN 31 2.188 12.207 3.190 266 H GLY 32 H GLY 32 3.118 7.260 7.465 267 HA2 GLY 32 HA3 GLY 32 3.551 6.461 9.573 268 HA3 GLY 32 HA2 GLY 32 4.721 7.767 9.686 269 H SER 33 H SER 33 1.239 8.145 9.298 270 HA SER 33 HA SER 33 1.003 8.989 12.092 271 HB2 SER 33 HB3 SER 33 1.374 10.887 10.203 272 HB3 SER 33 HB2 SER 33 -0.381 10.729 10.136 273 HG SER 33 HG SER 33 0.629 12.265 11.724 274 H CYS 34 H CYS 34 0.061 6.697 10.446 275 HA CYS 34 HA CYS 34 -1.791 5.394 10.260 276 HB2 CYS 34 HB3 CYS 34 -2.004 6.203 12.690 277 HB3 CYS 34 HB2 CYS 34 -3.226 7.315 12.083 278 HG CYS 34 HG CYS 34 -3.539 4.247 12.277 279 H ALA 35 H ALA 35 -3.784 5.237 9.148 280 HA ALA 35 HA ALA 35 -5.128 7.596 8.207 281 HB1 ALA 35 HB1 ALA 35 -4.687 7.235 5.824 282 HB2 ALA 35 HB2 ALA 35 -3.551 5.949 6.233 283 HB3 ALA 35 HB3 ALA 35 -3.211 7.612 6.711 284 H LYS 36 H LYS 36 -7.068 7.130 7.064 285 HA LYS 36 HA LYS 36 -8.210 4.583 7.795 286 HB2 LYS 36 HB3 LYS 36 -9.239 7.088 7.611 287 HB3 LYS 36 HB2 LYS 36 -9.769 6.411 6.078 288 HG2 LYS 36 HG3 LYS 36 -10.431 4.410 7.779 289 HG3 LYS 36 HG2 LYS 36 -10.651 5.822 8.812 290 HD2 LYS 36 HD3 LYS 36 -11.819 6.612 6.456 291 HD3 LYS 36 HD2 LYS 36 -12.228 4.897 6.534 292 HE2 LYS 36 HE3 LYS 36 -12.579 6.562 8.976 293 HE3 LYS 36 HE2 LYS 36 -13.750 6.728 7.669 294 HZ1 LYS 36 HZ1 LYS 36 -14.564 5.084 9.140 295 HZ2 LYS 36 HZ2 LYS 36 -13.080 4.273 9.191 296 HZ3 LYS 36 HZ3 LYS 36 -14.005 4.258 7.774 297 H ALA 37 H ALA 37 -10.037 4.176 5.726 298 HA ALA 37 HA ALA 37 -8.264 3.034 3.703 299 HB1 ALA 37 HB1 ALA 37 -11.183 2.487 3.700 300 HB2 ALA 37 HB2 ALA 37 -10.219 1.837 5.026 301 HB3 ALA 37 HB3 ALA 37 -9.827 1.410 3.360 302 H SER 38 H SER 38 -8.990 5.914 3.778 303 HA SER 38 HA SER 38 -9.825 6.116 0.995 304 HB2 SER 38 HB3 SER 38 -11.125 7.974 2.960 305 HB3 SER 38 HB2 SER 38 -11.642 7.536 1.332 306 HG SER 38 HG SER 38 -12.950 6.503 2.842 307 H LYS 39 H LYS 39 -7.337 6.511 2.499 308 HA LYS 39 HA LYS 39 -6.940 9.398 2.414 309 HB2 LYS 39 HB3 LYS 39 -6.003 7.632 4.169 310 HB3 LYS 39 HB2 LYS 39 -4.706 7.511 2.988 311 HG2 LYS 39 HG3 LYS 39 -3.800 9.208 4.122 312 HG3 LYS 39 HG2 LYS 39 -4.954 10.206 3.235 313 HD2 LYS 39 HD3 LYS 39 -6.511 9.430 5.279 314 HD3 LYS 39 HD2 LYS 39 -4.937 9.384 6.075 315 HE2 LYS 39 HE3 LYS 39 -5.167 11.777 4.509 316 HE3 LYS 39 HE2 LYS 39 -6.562 11.627 5.579 317 HZ1 LYS 39 HZ1 LYS 39 -3.955 11.089 6.758 318 HZ2 LYS 39 HZ2 LYS 39 -5.297 11.885 7.413 319 HZ3 LYS 39 HZ3 LYS 39 -4.270 12.698 6.342 320 H GLU 40 H GLU 40 -6.469 10.287 0.520 321 HA GLU 40 HA GLU 40 -5.595 8.882 -1.750 322 HB2 GLU 40 HB3 GLU 40 -5.096 11.183 -2.662 323 HB3 GLU 40 HB2 GLU 40 -6.736 10.943 -2.077 324 HG2 GLU 40 HG3 GLU 40 -6.360 12.224 -0.155 325 HG3 GLU 40 HG2 GLU 40 -4.609 12.157 -0.349 326 H VAL 41 H VAL 41 -3.631 8.363 -2.512 327 HA VAL 41 HA VAL 41 -1.299 9.212 -0.929 328 HB VAL 41 HB VAL 41 -0.156 7.214 -1.828 329 HG11 VAL 41 HG11 VAL 41 -0.926 5.928 -0.149 330 HG12 VAL 41 HG12 VAL 41 -2.598 6.023 -0.703 331 HG13 VAL 41 HG13 VAL 41 -1.902 7.345 0.233 332 HG21 VAL 41 HG21 VAL 41 -2.851 6.602 -3.037 333 HG22 VAL 41 HG22 VAL 41 -1.498 5.475 -2.954 334 HG23 VAL 41 HG23 VAL 41 -1.359 6.950 -3.911 335 H LYS 42 H LYS 42 0.722 9.546 -2.083 336 HA LYS 42 HA LYS 42 0.399 10.274 -4.909 337 HB2 LYS 42 HB3 LYS 42 1.612 12.362 -4.559 338 HB3 LYS 42 HB2 LYS 42 0.151 12.325 -3.583 339 HG2 LYS 42 HG3 LYS 42 1.298 12.564 -1.699 340 HG3 LYS 42 HG2 LYS 42 2.417 11.271 -2.132 341 HD2 LYS 42 HD3 LYS 42 3.605 12.907 -3.607 342 HD3 LYS 42 HD2 LYS 42 2.569 14.172 -2.941 343 HE2 LYS 42 HE3 LYS 42 3.391 13.507 -0.664 344 HE3 LYS 42 HE2 LYS 42 4.561 12.460 -1.466 345 HZ1 LYS 42 HZ1 LYS 42 5.052 14.718 -2.733 346 HZ2 LYS 42 HZ2 LYS 42 5.818 14.313 -1.279 347 HZ3 LYS 42 HZ3 LYS 42 4.497 15.368 -1.273 348 H ALA 43 H ALA 43 2.756 11.034 -5.689 349 HA ALA 43 HA ALA 43 4.376 8.689 -5.485 350 HB1 ALA 43 HB1 ALA 43 5.988 10.272 -6.832 351 HB2 ALA 43 HB2 ALA 43 4.534 11.257 -6.983 352 HB3 ALA 43 HB3 ALA 43 4.541 9.598 -7.581 353 H GLY 44 H GLY 44 6.557 8.569 -4.749 354 HA2 GLY 44 HA3 GLY 44 8.224 8.890 -3.206 355 HA3 GLY 44 HA2 GLY 44 7.930 10.610 -3.413 356 H ASP 45 H ASP 45 5.354 8.562 -2.325 357 HA ASP 45 HA ASP 45 5.391 9.939 0.249 358 HB2 ASP 45 HB3 ASP 45 3.333 9.432 -1.438 359 HB3 ASP 45 HB2 ASP 45 3.203 8.044 -0.361 360 H THR 46 H THR 46 4.461 8.462 2.103 361 HA THR 46 HA THR 46 6.140 6.046 2.157 362 HB THR 46 HB THR 46 5.189 7.775 4.448 363 HG1 THR 46 HG1 THR 46 7.192 8.581 4.474 364 HG21 THR 46 HG21 THR 46 7.360 6.156 5.203 365 HG22 THR 46 HG22 THR 46 6.151 5.100 4.473 366 HG23 THR 46 HG23 THR 46 5.711 6.138 5.828 367 H ILE 47 H ILE 47 5.265 4.110 2.666 368 HA ILE 47 HA ILE 47 2.401 4.051 3.364 369 HB ILE 47 HB ILE 47 3.810 2.020 1.631 370 HG12 ILE 47 HG13 ILE 47 3.696 4.158 0.455 371 HG13 ILE 47 HG12 ILE 47 2.559 3.014 -0.250 372 HG21 ILE 47 HG21 ILE 47 1.012 2.368 2.618 373 HG22 ILE 47 HG22 ILE 47 2.011 0.915 2.564 374 HG23 ILE 47 HG23 ILE 47 1.309 1.558 1.079 375 HD11 ILE 47 HD11 ILE 47 2.056 5.609 0.706 376 HD12 ILE 47 HD12 ILE 47 1.234 4.490 1.793 377 HD13 ILE 47 HD13 ILE 47 0.904 4.440 0.060 378 H SER 48 H SER 48 2.455 3.543 5.486 379 HA SER 48 HA SER 48 4.320 1.535 6.462 380 HB2 SER 48 HB3 SER 48 2.675 3.668 7.665 381 HB3 SER 48 HB2 SER 48 2.815 2.202 8.634 382 HG SER 48 HG SER 48 4.717 4.091 7.996 383 H LEU 49 H LEU 49 3.619 -0.273 7.744 384 HA LEU 49 HA LEU 49 0.854 -1.139 7.352 385 HB2 LEU 49 HB3 LEU 49 2.998 -2.104 5.805 386 HB3 LEU 49 HB2 LEU 49 2.646 -3.368 6.967 387 HG LEU 49 HG LEU 49 1.376 -3.871 5.039 388 HD11 LEU 49 HD11 LEU 49 -0.553 -2.473 6.881 389 HD12 LEU 49 HD12 LEU 49 0.196 -4.030 7.238 390 HD13 LEU 49 HD13 LEU 49 -0.867 -3.862 5.840 391 HD21 LEU 49 HD21 LEU 49 1.102 -0.970 4.875 392 HD22 LEU 49 HD22 LEU 49 -0.392 -1.840 4.523 393 HD23 LEU 49 HD23 LEU 49 1.071 -2.188 3.601 394 H HIS 50 H HIS 50 0.154 -2.733 8.843 395 HA HIS 50 HA HIS 50 1.905 -2.978 11.200 396 HB2 HIS 50 HB3 HIS 50 -0.203 -1.655 11.504 397 HB3 HIS 50 HB2 HIS 50 -1.114 -3.120 11.152 398 HD1 HIS 50 HD1 HIS 50 0.920 -1.475 13.806 399 HD2 HIS 50 HD2 HIS 50 -1.110 -5.050 13.201 400 HE1 HIS 50 HE1 HIS 50 0.778 -2.559 16.071 401 HE2 HIS 50 HE2 HIS 50 -0.535 -4.677 15.694 402 H TYR 51 H TYR 51 2.554 -4.939 11.775 403 HA TYR 51 HA TYR 51 0.970 -7.269 10.947 404 HB2 TYR 51 HB3 TYR 51 3.894 -6.769 10.464 405 HB3 TYR 51 HB2 TYR 51 3.279 -8.411 10.612 406 HD1 TYR 51 HD2 TYR 51 2.853 -5.265 8.679 407 HD2 TYR 51 HD1 TYR 51 2.306 -9.483 8.771 408 HE1 TYR 51 HE2 TYR 51 2.208 -5.227 6.306 409 HE2 TYR 51 HE1 TYR 51 1.659 -9.457 6.399 410 HH TYR 51 HH TYR 51 0.924 -6.597 4.724 411 H LEU 52 H LEU 52 2.201 -9.310 12.029 412 HA LEU 52 HA LEU 52 2.022 -8.779 14.874 413 HB2 LEU 52 HB3 LEU 52 2.308 -11.295 15.020 414 HB3 LEU 52 HB2 LEU 52 0.862 -10.712 14.219 415 HG LEU 52 HG LEU 52 3.156 -11.251 12.442 416 HD11 LEU 52 HD11 LEU 52 2.894 -13.103 14.348 417 HD12 LEU 52 HD12 LEU 52 3.305 -13.498 12.679 418 HD13 LEU 52 HD13 LEU 52 1.641 -13.663 13.239 419 HD21 LEU 52 HD21 LEU 52 1.518 -11.785 10.916 420 HD22 LEU 52 HD22 LEU 52 0.679 -10.606 11.925 421 HD23 LEU 52 HD23 LEU 52 0.388 -12.330 12.157 422 H LYS 53 H LYS 53 4.454 -9.547 12.494 423 HA LYS 53 HA LYS 53 6.485 -10.159 14.447 424 HB2 LYS 53 HB3 LYS 53 8.001 -10.232 12.492 425 HB3 LYS 53 HB2 LYS 53 6.585 -11.255 12.291 426 HG2 LYS 53 HG3 LYS 53 5.563 -9.643 10.831 427 HG3 LYS 53 HG2 LYS 53 6.870 -8.495 11.125 428 HD2 LYS 53 HD3 LYS 53 8.323 -9.592 9.762 429 HD3 LYS 53 HD2 LYS 53 7.638 -11.176 10.129 430 HE2 LYS 53 HE3 LYS 53 6.411 -11.121 8.278 431 HE3 LYS 53 HE2 LYS 53 5.690 -9.586 8.757 432 HZ1 LYS 53 HZ1 LYS 53 6.752 -9.244 6.691 433 HZ2 LYS 53 HZ2 LYS 53 8.176 -10.005 7.197 434 HZ3 LYS 53 HZ3 LYS 53 7.740 -8.507 7.849 435 H GLY 54 H GLY 54 5.413 -7.373 12.632 436 HA2 GLY 54 HA3 GLY 54 6.420 -5.439 14.273 437 HA3 GLY 54 HA2 GLY 54 7.751 -5.793 13.181 438 H ILE 55 H ILE 55 6.862 -3.288 13.143 439 HA ILE 55 HA ILE 55 4.829 -2.969 11.094 440 HB ILE 55 HB ILE 55 6.512 -0.782 12.304 441 HG12 ILE 55 HG13 ILE 55 5.434 -2.104 14.099 442 HG13 ILE 55 HG12 ILE 55 4.772 -0.476 13.982 443 HG21 ILE 55 HG21 ILE 55 3.696 -0.620 11.274 444 HG22 ILE 55 HG22 ILE 55 5.096 -0.410 10.223 445 HG23 ILE 55 HG23 ILE 55 4.836 0.692 11.575 446 HD11 ILE 55 HD11 ILE 55 3.475 -2.864 12.706 447 HD12 ILE 55 HD12 ILE 55 2.788 -1.262 12.969 448 HD13 ILE 55 HD13 ILE 55 3.109 -2.320 14.343 449 H GLU 56 H GLU 56 5.164 -2.148 9.043 450 HA GLU 56 HA GLU 56 7.970 -1.948 8.167 451 HB2 GLU 56 HB3 GLU 56 5.655 -3.212 6.691 452 HB3 GLU 56 HB2 GLU 56 7.242 -2.919 5.992 453 HG2 GLU 56 HG3 GLU 56 8.218 -4.617 7.138 454 HG3 GLU 56 HG2 GLU 56 7.126 -4.466 8.514 455 H GLU 57 H GLU 57 8.482 -0.095 7.209 456 HA GLU 57 HA GLU 57 6.292 1.645 6.291 457 HB2 GLU 57 HB3 GLU 57 7.619 2.544 8.159 458 HB3 GLU 57 HB2 GLU 57 9.078 2.402 7.188 459 HG2 GLU 57 HG3 GLU 57 7.916 3.943 5.524 460 HG3 GLU 57 HG2 GLU 57 6.762 4.266 6.818 461 H TYR 58 H TYR 58 6.057 1.415 4.158 462 HA TYR 58 HA TYR 58 8.411 1.077 2.461 463 HB2 TYR 58 HB3 TYR 58 5.464 0.930 1.787 464 HB3 TYR 58 HB2 TYR 58 6.781 0.600 0.666 465 HD1 TYR 58 HD1 TYR 58 5.527 -0.507 4.008 466 HD2 TYR 58 HD2 TYR 58 7.447 -1.591 0.370 467 HE1 TYR 58 HE1 TYR 58 5.538 -2.860 4.722 468 HE2 TYR 58 HE2 TYR 58 7.464 -3.947 1.074 469 HH TYR 58 HH TYR 58 6.209 -5.419 2.616 470 H THR 59 H THR 59 7.964 2.221 0.176 471 HA THR 59 HA THR 59 7.067 4.970 0.584 472 HB THR 59 HB THR 59 9.820 4.260 -0.446 473 HG1 THR 59 HG1 THR 59 10.530 5.270 1.430 474 HG21 THR 59 HG21 THR 59 8.907 6.235 -1.569 475 HG22 THR 59 HG22 THR 59 10.264 6.631 -0.512 476 HG23 THR 59 HG23 THR 59 8.613 6.978 0.003 477 H ILE 60 H ILE 60 5.998 5.741 -1.131 478 HA ILE 60 HA ILE 60 5.634 4.067 -3.434 479 HB ILE 60 HB ILE 60 4.642 6.892 -3.071 480 HG12 ILE 60 HG13 ILE 60 3.342 4.294 -2.220 481 HG13 ILE 60 HG12 ILE 60 3.983 5.527 -1.139 482 HG21 ILE 60 HG21 ILE 60 3.915 6.555 -5.150 483 HG22 ILE 60 HG22 ILE 60 2.761 5.420 -4.451 484 HG23 ILE 60 HG23 ILE 60 4.295 4.834 -5.091 485 HD11 ILE 60 HD11 ILE 60 2.067 6.627 -1.190 486 HD12 ILE 60 HD12 ILE 60 1.384 5.306 -2.138 487 HD13 ILE 60 HD13 ILE 60 2.099 6.698 -2.952 488 H LEU 61 H LEU 61 6.799 4.087 -5.230 489 HA LEU 61 HA LEU 61 8.812 6.118 -5.635 490 HB2 LEU 61 HB3 LEU 61 8.097 3.667 -7.243 491 HB3 LEU 61 HB2 LEU 61 9.458 4.718 -7.584 492 HG LEU 61 HG LEU 61 9.078 3.008 -5.126 493 HD11 LEU 61 HD11 LEU 61 9.869 1.518 -6.647 494 HD12 LEU 61 HD12 LEU 61 11.403 2.227 -6.142 495 HD13 LEU 61 HD13 LEU 61 10.633 2.761 -7.636 496 HD21 LEU 61 HD21 LEU 61 11.582 3.849 -4.885 497 HD22 LEU 61 HD22 LEU 61 10.226 4.735 -4.188 498 HD23 LEU 61 HD23 LEU 61 10.922 5.254 -5.723 499 H GLN 62 H GLN 62 5.642 5.403 -6.829 500 HA GLN 62 HA GLN 62 5.381 7.871 -8.140 501 HB2 GLN 62 HB3 GLN 62 6.931 6.473 -9.708 502 HB3 GLN 62 HB2 GLN 62 5.442 5.651 -10.154 503 HG2 GLN 62 HG3 GLN 62 4.582 7.479 -11.214 504 HG3 GLN 62 HG2 GLN 62 5.487 8.620 -10.220 505 HE21 GLN 62 HE22 GLN 62 6.427 9.791 -11.805 506 HE22 GLN 62 HE21 GLN 62 7.556 9.152 -12.947 507 H ILE 63 H ILE 63 3.327 8.017 -9.405 508 HA ILE 63 HA ILE 63 1.383 5.959 -8.599 509 HB ILE 63 HB ILE 63 0.834 8.925 -8.542 510 HG12 ILE 63 HG13 ILE 63 2.470 8.184 -6.792 511 HG13 ILE 63 HG12 ILE 63 0.967 8.830 -6.142 512 HG21 ILE 63 HG21 ILE 63 -1.264 8.154 -8.686 513 HG22 ILE 63 HG22 ILE 63 -1.046 7.716 -6.992 514 HG23 ILE 63 HG23 ILE 63 -0.797 6.510 -8.253 515 HD11 ILE 63 HD11 ILE 63 0.182 6.455 -5.905 516 HD12 ILE 63 HD12 ILE 63 1.519 6.931 -4.857 517 HD13 ILE 63 HD13 ILE 63 1.828 5.958 -6.296 518 HA PRO 64 HA PRO 64 1.016 6.624 -13.138 519 HB2 PRO 64 HB2 PRO 64 0.136 4.098 -13.652 520 HB3 PRO 64 HB3 PRO 64 1.846 4.525 -13.537 521 HG2 PRO 64 HG3 PRO 64 0.064 3.277 -11.484 522 HG3 PRO 64 HG2 PRO 64 1.736 2.869 -11.911 523 HD2 PRO 64 HD3 PRO 64 1.120 4.347 -9.735 524 HD3 PRO 64 HD2 PRO 64 2.610 4.607 -10.667 525 H ALA 65 H ALA 65 -1.161 5.834 -10.626 526 HA ALA 65 HA ALA 65 -3.408 6.066 -10.371 527 HB1 ALA 65 HB1 ALA 65 -3.473 8.250 -11.009 528 HB2 ALA 65 HB2 ALA 65 -4.468 7.560 -12.292 529 HB3 ALA 65 HB3 ALA 65 -2.769 7.925 -12.593 530 H LEU 66 H LEU 66 -2.840 3.662 -11.295 531 HA LEU 66 HA LEU 66 -4.668 3.196 -13.555 532 HB2 LEU 66 HB3 LEU 66 -3.410 1.395 -14.219 533 HB3 LEU 66 HB2 LEU 66 -2.169 2.453 -13.580 534 HG LEU 66 HG LEU 66 -3.347 0.023 -12.237 535 HD11 LEU 66 HD11 LEU 66 -1.233 0.314 -14.038 536 HD12 LEU 66 HD12 LEU 66 -1.602 -1.089 -13.036 537 HD13 LEU 66 HD13 LEU 66 -0.480 0.141 -12.453 538 HD21 LEU 66 HD21 LEU 66 -1.536 2.172 -11.178 539 HD22 LEU 66 HD22 LEU 66 -1.569 0.547 -10.493 540 HD23 LEU 66 HD23 LEU 66 -3.025 1.541 -10.475 541 H LYS 67 H LYS 67 -5.253 0.569 -13.266 542 HA LYS 67 HA LYS 67 -6.918 0.592 -10.857 543 HB2 LYS 67 HB3 LYS 67 -7.475 -0.040 -13.504 544 HB3 LYS 67 HB2 LYS 67 -7.382 -1.607 -12.712 545 HG2 LYS 67 HG3 LYS 67 -8.928 0.355 -11.210 546 HG3 LYS 67 HG2 LYS 67 -9.586 0.011 -12.810 547 HD2 LYS 67 HD3 LYS 67 -8.824 -2.121 -10.821 548 HD3 LYS 67 HD2 LYS 67 -10.452 -1.457 -10.968 549 HE2 LYS 67 HE3 LYS 67 -10.856 -2.958 -12.556 550 HE3 LYS 67 HE2 LYS 67 -9.670 -2.137 -13.571 551 HZ1 LYS 67 HZ1 LYS 67 -9.437 -4.620 -12.084 552 HZ2 LYS 67 HZ2 LYS 67 -8.072 -3.618 -12.051 553 HZ3 LYS 67 HZ3 LYS 67 -8.697 -4.149 -13.530 554 H ASN 68 H ASN 68 -5.283 -1.960 -12.744 555 HA ASN 68 HA ASN 68 -4.310 -3.087 -10.204 556 HB2 ASN 68 HB3 ASN 68 -6.178 -4.261 -12.000 557 HB3 ASN 68 HB2 ASN 68 -4.682 -5.183 -12.116 558 HD21 ASN 68 HD22 ASN 68 -3.857 -6.182 -10.244 559 HD22 ASN 68 HD21 ASN 68 -4.879 -6.539 -8.897 560 H VAL 69 H VAL 69 -2.322 -4.202 -10.295 561 HA VAL 69 HA VAL 69 -0.769 -3.757 -12.760 562 HB VAL 69 HB VAL 69 0.447 -3.661 -10.007 563 HG11 VAL 69 HG11 VAL 69 2.369 -2.927 -11.034 564 HG12 VAL 69 HG12 VAL 69 1.507 -2.298 -12.438 565 HG13 VAL 69 HG13 VAL 69 1.733 -4.036 -12.249 566 HG21 VAL 69 HG21 VAL 69 0.352 -1.058 -11.096 567 HG22 VAL 69 HG22 VAL 69 -0.434 -1.656 -9.636 568 HG23 VAL 69 HG23 VAL 69 -1.283 -1.712 -11.179 569 HA PRO 70 HA PRO 70 -0.191 -8.178 -12.691 570 HB2 PRO 70 HB2 PRO 70 2.346 -7.474 -14.082 571 HB3 PRO 70 HB3 PRO 70 1.081 -8.614 -14.554 572 HG2 PRO 70 HG3 PRO 70 1.309 -6.258 -15.772 573 HG3 PRO 70 HG2 PRO 70 -0.285 -6.951 -15.414 574 HD2 PRO 70 HD3 PRO 70 1.178 -4.742 -14.035 575 HD3 PRO 70 HD2 PRO 70 -0.560 -4.924 -14.348 576 H ARG 71 H ARG 71 1.840 -9.670 -12.316 577 HA ARG 71 HA ARG 71 3.108 -8.698 -9.856 578 HB2 ARG 71 HB3 ARG 71 2.715 -11.505 -10.908 579 HB3 ARG 71 HB2 ARG 71 3.561 -11.111 -9.418 580 HG2 ARG 71 HG3 ARG 71 1.486 -10.079 -8.557 581 HG3 ARG 71 HG2 ARG 71 0.656 -10.602 -10.025 582 HD2 ARG 71 HD3 ARG 71 0.225 -12.175 -8.246 583 HD3 ARG 71 HD2 ARG 71 1.224 -12.939 -9.479 584 HE ARG 71 HE ARG 71 1.993 -12.279 -6.761 585 HH11 ARG 71 HH11 ARG 71 3.048 -13.260 -9.944 586 HH12 ARG 71 HH12 ARG 71 4.553 -13.903 -9.379 587 HH21 ARG 71 HH22 ARG 71 3.971 -13.125 -6.024 588 HH22 ARG 71 HH21 ARG 71 5.077 -13.826 -7.157 589 H LYS 72 H LYS 72 4.196 -7.708 -12.185 590 HA LYS 72 HA LYS 72 6.819 -9.029 -12.191 591 HB2 LYS 72 HB3 LYS 72 5.216 -9.327 -14.303 592 HB3 LYS 72 HB2 LYS 72 5.890 -7.756 -14.716 593 HG2 LYS 72 HG3 LYS 72 7.309 -9.231 -15.787 594 HG3 LYS 72 HG2 LYS 72 8.174 -8.873 -14.292 595 HD2 LYS 72 HD3 LYS 72 8.349 -11.150 -14.293 596 HD3 LYS 72 HD2 LYS 72 6.819 -10.978 -13.431 597 HE2 LYS 72 HE3 LYS 72 6.254 -12.560 -14.993 598 HE3 LYS 72 HE2 LYS 72 5.803 -11.083 -15.843 599 HZ1 LYS 72 HZ1 LYS 72 7.447 -11.338 -17.341 600 HZ2 LYS 72 HZ2 LYS 72 7.338 -12.969 -16.904 601 HZ3 LYS 72 HZ3 LYS 72 8.537 -11.989 -16.224 602 H ASP 73 H ASP 73 5.048 -6.097 -13.167 603 HA ASP 73 HA ASP 73 7.456 -4.523 -12.556 604 HB2 ASP 73 HB3 ASP 73 5.036 -3.843 -14.238 605 HB3 ASP 73 HB2 ASP 73 6.343 -2.719 -13.879 606 H THR 74 H THR 74 5.581 -5.567 -10.561 607 HA THR 74 HA THR 74 4.125 -3.231 -9.634 608 HB THR 74 HB THR 74 2.981 -5.306 -9.361 609 HG1 THR 74 HG1 THR 74 4.038 -4.649 -6.817 610 HG21 THR 74 HG21 THR 74 4.002 -7.002 -7.696 611 HG22 THR 74 HG22 THR 74 5.537 -6.281 -8.180 612 HG23 THR 74 HG23 THR 74 4.496 -7.034 -9.389 613 H HIS 75 H HIS 75 7.265 -4.337 -9.385 614 HA HIS 75 HA HIS 75 7.665 -3.333 -6.671 615 HB2 HIS 75 HB3 HIS 75 9.961 -4.205 -6.916 616 HB3 HIS 75 HB2 HIS 75 8.748 -5.444 -7.223 617 HD1 HIS 75 HD1 HIS 75 9.744 -6.922 -8.944 618 HD2 HIS 75 HD2 HIS 75 10.326 -2.902 -9.823 619 HE1 HIS 75 HE1 HIS 75 10.844 -6.881 -11.205 620 HE2 HIS 75 HE2 HIS 75 11.261 -4.441 -11.679 621 H LEU 76 H LEU 76 7.062 -1.644 -9.115 622 HA LEU 76 HA LEU 76 9.415 0.119 -8.911 623 HB2 LEU 76 HB3 LEU 76 7.657 -0.527 -11.252 624 HB3 LEU 76 HB2 LEU 76 8.539 0.986 -11.189 625 HG LEU 76 HG LEU 76 10.484 -0.901 -10.626 626 HD11 LEU 76 HD11 LEU 76 9.036 -1.959 -13.015 627 HD12 LEU 76 HD12 LEU 76 8.640 -2.550 -11.402 628 HD13 LEU 76 HD13 LEU 76 10.280 -2.724 -12.028 629 HD21 LEU 76 HD21 LEU 76 9.780 0.251 -13.322 630 HD22 LEU 76 HD22 LEU 76 11.361 -0.328 -12.798 631 HD23 LEU 76 HD23 LEU 76 10.657 1.108 -12.055 632 H TYR 77 H TYR 77 6.544 -0.149 -7.620 633 HA TYR 77 HA TYR 77 5.890 2.710 -7.908 634 HB2 TYR 77 HB3 TYR 77 3.984 0.430 -7.341 635 HB3 TYR 77 HB2 TYR 77 3.547 2.134 -7.436 636 HD1 TYR 77 HD1 TYR 77 4.692 3.197 -9.762 637 HD2 TYR 77 HD2 TYR 77 3.248 -0.760 -9.166 638 HE1 TYR 77 HE1 TYR 77 4.327 2.971 -12.183 639 HE2 TYR 77 HE2 TYR 77 2.880 -0.997 -11.586 640 HH TYR 77 HH TYR 77 4.170 0.490 -13.796 641 H ILE 78 H ILE 78 6.379 0.019 -5.740 642 HA ILE 78 HA ILE 78 6.598 1.885 -3.514 643 HB ILE 78 HB ILE 78 4.266 1.139 -3.402 644 HG12 ILE 78 HG13 ILE 78 5.976 -0.115 -1.241 645 HG13 ILE 78 HG12 ILE 78 5.529 1.586 -1.320 646 HG21 ILE 78 HG21 ILE 78 5.302 -1.655 -2.992 647 HG22 ILE 78 HG22 ILE 78 4.717 -1.058 -4.545 648 HG23 ILE 78 HG23 ILE 78 3.627 -1.129 -3.160 649 HD11 ILE 78 HD11 ILE 78 3.192 -0.077 -1.473 650 HD12 ILE 78 HD12 ILE 78 3.603 1.184 -0.311 651 HD13 ILE 78 HD13 ILE 78 4.154 -0.471 -0.049 652 H ALA 79 H ALA 79 8.058 1.259 -1.971 653 HA ALA 79 HA ALA 79 9.113 -1.453 -1.993 654 HB1 ALA 79 HB1 ALA 79 10.398 -0.086 -3.694 655 HB2 ALA 79 HB2 ALA 79 11.357 -0.877 -2.444 656 HB3 ALA 79 HB3 ALA 79 11.017 0.850 -2.334 657 HA PRO 80 HA PRO 80 9.453 -0.687 2.338 658 HB2 PRO 80 HB2 PRO 80 11.426 -2.425 3.017 659 HB3 PRO 80 HB3 PRO 80 9.787 -2.944 2.606 660 HG2 PRO 80 HG3 PRO 80 12.246 -2.914 0.900 661 HG3 PRO 80 HG2 PRO 80 11.003 -4.169 1.048 662 HD2 PRO 80 HD3 PRO 80 11.058 -2.417 -1.012 663 HD3 PRO 80 HD2 PRO 80 9.542 -3.067 -0.355 664 H LYS 81 H LYS 81 10.286 1.134 3.135 665 HA LYS 81 HA LYS 81 12.985 1.952 2.413 666 HB2 LYS 81 HB3 LYS 81 11.047 3.549 2.355 667 HB3 LYS 81 HB2 LYS 81 10.966 3.429 4.107 668 HG2 LYS 81 HG3 LYS 81 13.462 4.137 4.011 669 HG3 LYS 81 HG2 LYS 81 13.047 4.706 2.392 670 HD2 LYS 81 HD3 LYS 81 11.095 5.508 4.396 671 HD3 LYS 81 HD2 LYS 81 12.716 6.105 4.754 672 HE2 LYS 81 HE3 LYS 81 12.521 6.605 2.082 673 HE3 LYS 81 HE2 LYS 81 10.857 6.850 2.611 674 HZ1 LYS 81 HZ1 LYS 81 12.719 8.738 2.716 675 HZ2 LYS 81 HZ2 LYS 81 12.909 8.075 4.261 676 HZ3 LYS 81 HZ3 LYS 81 11.404 8.678 3.778 677 H THR 82 H THR 82 13.300 -0.223 3.861 678 HA THR 82 HA THR 82 14.517 0.774 6.297 679 HB THR 82 HB THR 82 13.053 -1.704 6.835 680 HG1 THR 82 HG1 THR 82 11.036 -0.790 6.914 681 HG21 THR 82 HG21 THR 82 14.048 0.508 8.285 682 HG22 THR 82 HG22 THR 82 13.330 -0.981 8.898 683 HG23 THR 82 HG23 THR 82 12.308 0.415 8.558 684 H LYS 83 H LYS 83 16.422 -0.183 6.652 685 HA LYS 83 HA LYS 83 16.919 -2.842 5.521 686 HB2 LYS 83 HB3 LYS 83 18.499 -0.338 4.991 687 HB3 LYS 83 HB2 LYS 83 19.246 -1.926 4.875 688 HG2 LYS 83 HG3 LYS 83 16.818 -2.003 3.415 689 HG3 LYS 83 HG2 LYS 83 17.696 -0.547 2.942 690 HD2 LYS 83 HD3 LYS 83 19.412 -1.719 2.014 691 HD3 LYS 83 HD2 LYS 83 19.262 -3.054 3.159 692 HE2 LYS 83 HE3 LYS 83 17.477 -4.012 1.976 693 HE3 LYS 83 HE2 LYS 83 17.185 -2.538 1.054 694 HZ1 LYS 83 HZ1 LYS 83 19.123 -4.654 0.604 695 HZ2 LYS 83 HZ2 LYS 83 19.680 -3.080 0.326 696 HZ3 LYS 83 HZ3 LYS 83 18.327 -3.659 -0.509 697 H GLU 84 H GLU 84 16.436 -1.928 8.229 698 HA GLU 84 HA GLU 84 18.686 -3.192 9.491 699 HB2 GLU 84 HB3 GLU 84 18.269 -0.247 9.675 700 HB3 GLU 84 HB2 GLU 84 18.773 -1.099 11.127 701 HG2 GLU 84 HG3 GLU 84 20.454 -2.054 9.131 702 HG3 GLU 84 HG2 GLU 84 20.309 -0.326 8.815 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -4.051 9.008 -6.169 2 H2 MET 1 H2 MET 1 -5.444 8.242 -6.807 3 H3 MET 1 H3 MET 1 -3.976 8.228 -7.695 4 HA MET 1 HA MET 1 -4.590 6.147 -6.511 5 HB2 MET 1 HB3 MET 1 -2.242 7.224 -7.246 6 HB3 MET 1 HB2 MET 1 -1.958 7.102 -5.516 7 HG2 MET 1 HG3 MET 1 -1.138 5.097 -6.235 8 HG3 MET 1 HG2 MET 1 -2.798 4.656 -5.840 9 HE1 MET 1 HE1 MET 1 -0.653 3.092 -7.814 10 HE2 MET 1 HE2 MET 1 -1.785 2.513 -9.037 11 HE3 MET 1 HE3 MET 1 -2.217 2.435 -7.329 12 H ARG 2 H ARG 2 -4.765 5.072 -4.559 13 HA ARG 2 HA ARG 2 -4.513 6.660 -2.105 14 HB2 ARG 2 HB3 ARG 2 -6.914 4.969 -2.825 15 HB3 ARG 2 HB2 ARG 2 -6.657 5.768 -1.281 16 HG2 ARG 2 HG3 ARG 2 -7.370 7.738 -2.049 17 HG3 ARG 2 HG2 ARG 2 -6.481 7.576 -3.562 18 HD2 ARG 2 HD3 ARG 2 -8.411 7.183 -4.590 19 HD3 ARG 2 HD2 ARG 2 -8.542 5.680 -3.680 20 HE ARG 2 HE ARG 2 -9.488 7.596 -1.980 21 HH11 ARG 2 HH11 ARG 2 -10.287 6.567 -5.218 22 HH12 ARG 2 HH12 ARG 2 -11.957 7.000 -5.078 23 HH21 ARG 2 HH22 ARG 2 -11.685 8.167 -1.794 24 HH22 ARG 2 HH21 ARG 2 -12.752 7.908 -3.134 25 H ILE 3 H ILE 3 -3.815 5.545 -0.336 26 HA ILE 3 HA ILE 3 -2.289 3.275 -0.578 27 HB ILE 3 HB ILE 3 -2.200 4.760 1.360 28 HG12 ILE 3 HG13 ILE 3 -1.516 2.234 1.354 29 HG13 ILE 3 HG12 ILE 3 -1.498 3.143 2.856 30 HG21 ILE 3 HG21 ILE 3 -3.850 4.590 3.156 31 HG22 ILE 3 HG22 ILE 3 -4.808 3.487 2.168 32 HG23 ILE 3 HG23 ILE 3 -4.575 5.157 1.652 33 HD11 ILE 3 HD11 ILE 3 -3.437 1.056 1.945 34 HD12 ILE 3 HD12 ILE 3 -3.861 2.201 3.216 35 HD13 ILE 3 HD13 ILE 3 -2.485 1.123 3.426 36 H ASP 4 H ASP 4 -5.722 3.491 0.219 37 HA ASP 4 HA ASP 4 -6.216 0.886 0.995 38 HB2 ASP 4 HB3 ASP 4 -8.539 1.311 -0.072 39 HB3 ASP 4 HB2 ASP 4 -8.018 2.343 1.256 40 H LYS 5 H LYS 5 -6.643 2.160 -2.322 41 HA LYS 5 HA LYS 5 -6.713 -0.560 -3.344 42 HB2 LYS 5 HB3 LYS 5 -7.500 2.105 -4.333 43 HB3 LYS 5 HB2 LYS 5 -6.892 0.999 -5.556 44 HG2 LYS 5 HG3 LYS 5 -8.663 -0.413 -5.364 45 HG3 LYS 5 HG2 LYS 5 -8.929 -0.030 -3.662 46 HD2 LYS 5 HD3 LYS 5 -10.051 1.966 -4.172 47 HD3 LYS 5 HD2 LYS 5 -9.441 1.986 -5.828 48 HE2 LYS 5 HE3 LYS 5 -10.789 -0.012 -6.326 49 HE3 LYS 5 HE2 LYS 5 -11.425 0.024 -4.682 50 HZ1 LYS 5 HZ1 LYS 5 -12.651 1.167 -6.723 51 HZ2 LYS 5 HZ2 LYS 5 -11.693 2.473 -6.234 52 HZ3 LYS 5 HZ3 LYS 5 -12.770 1.759 -5.144 53 H PHE 6 H PHE 6 -4.294 1.616 -2.670 54 HA PHE 6 HA PHE 6 -2.688 1.304 -5.009 55 HB2 PHE 6 HB3 PHE 6 -2.428 3.260 -3.593 56 HB3 PHE 6 HB2 PHE 6 -1.975 2.246 -2.228 57 HD1 PHE 6 HD2 PHE 6 -0.893 2.397 -5.799 58 HD2 PHE 6 HD1 PHE 6 0.232 2.533 -1.697 59 HE1 PHE 6 HE2 PHE 6 1.472 2.575 -6.457 60 HE2 PHE 6 HE1 PHE 6 2.598 2.713 -2.347 61 HZ PHE 6 HZ PHE 6 3.221 2.732 -4.729 62 H LEU 7 H LEU 7 -2.087 0.164 -1.673 63 HA LEU 7 HA LEU 7 -0.229 -1.807 -2.682 64 HB2 LEU 7 HB3 LEU 7 0.195 -2.298 -0.320 65 HB3 LEU 7 HB2 LEU 7 0.360 -0.593 -0.691 66 HG LEU 7 HG LEU 7 -2.116 -0.461 0.168 67 HD11 LEU 7 HD11 LEU 7 -1.634 -3.175 0.549 68 HD12 LEU 7 HD12 LEU 7 -2.969 -2.231 1.207 69 HD13 LEU 7 HD13 LEU 7 -1.503 -2.464 2.157 70 HD21 LEU 7 HD21 LEU 7 -0.268 0.699 1.195 71 HD22 LEU 7 HD22 LEU 7 0.284 -0.789 1.964 72 HD23 LEU 7 HD23 LEU 7 -1.249 -0.064 2.446 73 H GLN 8 H GLN 8 -3.553 -1.746 -1.985 74 HA GLN 8 HA GLN 8 -3.687 -4.576 -1.328 75 HB2 GLN 8 HB3 GLN 8 -5.920 -2.586 -1.732 76 HB3 GLN 8 HB2 GLN 8 -6.085 -4.209 -1.073 77 HG2 GLN 8 HG3 GLN 8 -4.549 -3.510 0.779 78 HG3 GLN 8 HG2 GLN 8 -4.673 -1.861 0.165 79 HE21 GLN 8 HE22 GLN 8 -6.495 -4.550 1.498 80 HE22 GLN 8 HE21 GLN 8 -7.794 -3.601 2.128 81 H SER 9 H SER 9 -3.770 -2.611 -4.112 82 HA SER 9 HA SER 9 -5.186 -4.660 -5.662 83 HB2 SER 9 HB3 SER 9 -4.328 -1.892 -6.529 84 HB3 SER 9 HB2 SER 9 -5.376 -2.994 -7.420 85 HG SER 9 HG SER 9 -6.345 -1.239 -6.034 86 H VAL 10 H VAL 10 -2.095 -3.026 -5.352 87 HA VAL 10 HA VAL 10 -0.841 -3.871 -7.682 88 HB VAL 10 HB VAL 10 1.298 -3.698 -6.403 89 HG11 VAL 10 HG11 VAL 10 0.849 -1.666 -7.302 90 HG12 VAL 10 HG12 VAL 10 0.677 -1.227 -5.602 91 HG13 VAL 10 HG13 VAL 10 -0.754 -1.575 -6.573 92 HG21 VAL 10 HG21 VAL 10 0.947 -2.651 -4.057 93 HG22 VAL 10 HG22 VAL 10 0.856 -4.403 -4.240 94 HG23 VAL 10 HG23 VAL 10 -0.623 -3.449 -4.122 95 H GLY 11 H GLY 11 -1.469 -5.613 -4.705 96 HA2 GLY 11 HA3 GLY 11 -1.730 -8.051 -4.975 97 HA3 GLY 11 HA2 GLY 11 -0.268 -8.010 -5.950 98 H LEU 12 H LEU 12 -0.745 -6.235 -2.950 99 HA LEU 12 HA LEU 12 1.521 -7.694 -1.807 100 HB2 LEU 12 HB3 LEU 12 0.598 -4.976 -1.709 101 HB3 LEU 12 HB2 LEU 12 0.709 -5.613 -0.080 102 HG LEU 12 HG LEU 12 3.044 -6.141 -1.808 103 HD11 LEU 12 HD11 LEU 12 2.069 -3.667 -2.111 104 HD12 LEU 12 HD12 LEU 12 3.794 -4.029 -2.091 105 HD13 LEU 12 HD13 LEU 12 3.002 -3.432 -0.634 106 HD21 LEU 12 HD21 LEU 12 2.517 -6.446 0.813 107 HD22 LEU 12 HD22 LEU 12 3.266 -4.849 0.831 108 HD23 LEU 12 HD23 LEU 12 4.141 -6.225 0.161 109 H VAL 13 H VAL 13 -1.788 -6.699 -1.004 110 HA VAL 13 HA VAL 13 -1.828 -8.811 1.054 111 HB VAL 13 HB VAL 13 -3.693 -7.405 2.101 112 HG11 VAL 13 HG11 VAL 13 -2.188 -6.647 3.600 113 HG12 VAL 13 HG12 VAL 13 -1.214 -5.839 2.371 114 HG13 VAL 13 HG13 VAL 13 -1.052 -7.577 2.623 115 HG21 VAL 13 HG21 VAL 13 -2.425 -5.311 0.341 116 HG22 VAL 13 HG22 VAL 13 -3.534 -4.978 1.672 117 HG23 VAL 13 HG23 VAL 13 -4.091 -5.885 0.265 118 H LYS 14 H LYS 14 -2.942 -10.474 0.264 119 HA LYS 14 HA LYS 14 -5.663 -10.062 -0.628 120 HB2 LYS 14 HB3 LYS 14 -3.469 -10.730 -2.478 121 HB3 LYS 14 HB2 LYS 14 -4.882 -11.769 -2.607 122 HG2 LYS 14 HG3 LYS 14 -5.555 -8.939 -2.474 123 HG3 LYS 14 HG2 LYS 14 -4.536 -9.353 -3.855 124 HD2 LYS 14 HD3 LYS 14 -6.256 -10.295 -4.909 125 HD3 LYS 14 HD2 LYS 14 -6.605 -11.324 -3.519 126 HE2 LYS 14 HE3 LYS 14 -8.514 -9.898 -4.141 127 HE3 LYS 14 HE2 LYS 14 -7.931 -9.571 -2.510 128 HZ1 LYS 14 HZ1 LYS 14 -7.250 -7.513 -3.070 129 HZ2 LYS 14 HZ2 LYS 14 -8.408 -7.671 -4.293 130 HZ3 LYS 14 HZ3 LYS 14 -6.775 -7.955 -4.633 131 H ARG 15 H ARG 15 -6.963 -11.810 -0.257 132 HA ARG 15 HA ARG 15 -5.743 -14.370 0.433 133 HB2 ARG 15 HB3 ARG 15 -6.051 -12.850 2.506 134 HB3 ARG 15 HB2 ARG 15 -7.767 -13.173 2.306 135 HG2 ARG 15 HG3 ARG 15 -7.081 -14.758 3.855 136 HG3 ARG 15 HG2 ARG 15 -7.102 -15.650 2.332 137 HD2 ARG 15 HD3 ARG 15 -5.071 -16.286 3.218 138 HD3 ARG 15 HD2 ARG 15 -4.605 -14.932 2.190 139 HE ARG 15 HE ARG 15 -5.186 -14.177 4.902 140 HH11 ARG 15 HH11 ARG 15 -2.725 -15.356 2.727 141 HH12 ARG 15 HH12 ARG 15 -1.413 -14.770 3.694 142 HH21 ARG 15 HH22 ARG 15 -3.462 -13.405 6.175 143 HH22 ARG 15 HH21 ARG 15 -1.831 -13.662 5.650 144 H ARG 16 H ARG 16 -8.930 -12.784 0.698 145 HA ARG 16 HA ARG 16 -10.025 -14.474 -1.367 146 HB2 ARG 16 HB3 ARG 16 -11.787 -15.437 0.086 147 HB3 ARG 16 HB2 ARG 16 -10.174 -16.006 0.497 148 HG2 ARG 16 HG3 ARG 16 -10.289 -13.985 2.198 149 HG3 ARG 16 HG2 ARG 16 -12.023 -14.263 2.025 150 HD2 ARG 16 HD3 ARG 16 -11.644 -16.650 2.580 151 HD3 ARG 16 HD2 ARG 16 -9.943 -16.279 2.865 152 HE ARG 16 HE ARG 16 -10.513 -15.354 4.883 153 HH11 ARG 16 HH11 ARG 16 -13.403 -15.784 2.972 154 HH12 ARG 16 HH12 ARG 16 -14.473 -15.390 4.275 155 HH21 ARG 16 HH22 ARG 16 -11.920 -14.838 6.597 156 HH22 ARG 16 HH21 ARG 16 -13.632 -14.853 6.334 157 H VAL 17 H VAL 17 -10.763 -12.264 1.312 158 HA VAL 17 HA VAL 17 -13.118 -11.239 0.015 159 HB VAL 17 HB VAL 17 -12.975 -11.327 2.466 160 HG11 VAL 17 HG11 VAL 17 -11.222 -8.972 2.664 161 HG12 VAL 17 HG12 VAL 17 -10.425 -10.476 2.203 162 HG13 VAL 17 HG13 VAL 17 -11.346 -10.390 3.705 163 HG21 VAL 17 HG21 VAL 17 -13.087 -8.420 2.077 164 HG22 VAL 17 HG22 VAL 17 -14.309 -9.533 2.691 165 HG23 VAL 17 HG23 VAL 17 -14.074 -9.354 0.953 166 H LEU 18 H LEU 18 -13.399 -9.227 -0.924 167 HA LEU 18 HA LEU 18 -10.986 -8.060 -2.049 168 HB2 LEU 18 HB3 LEU 18 -13.841 -8.128 -2.739 169 HB3 LEU 18 HB2 LEU 18 -13.057 -6.594 -3.064 170 HG LEU 18 HG LEU 18 -11.569 -8.941 -4.024 171 HD11 LEU 18 HD11 LEU 18 -14.292 -8.265 -5.110 172 HD12 LEU 18 HD12 LEU 18 -13.706 -9.828 -4.539 173 HD13 LEU 18 HD13 LEU 18 -13.066 -9.138 -6.032 174 HD21 LEU 18 HD21 LEU 18 -11.344 -6.324 -4.418 175 HD22 LEU 18 HD22 LEU 18 -12.438 -6.694 -5.750 176 HD23 LEU 18 HD23 LEU 18 -10.876 -7.504 -5.643 177 H ALA 19 H ALA 19 -13.332 -7.380 0.391 178 HA ALA 19 HA ALA 19 -13.234 -4.606 0.543 179 HB1 ALA 19 HB1 ALA 19 -14.046 -4.814 2.769 180 HB2 ALA 19 HB2 ALA 19 -13.388 -6.444 2.922 181 HB3 ALA 19 HB3 ALA 19 -14.744 -6.139 1.837 182 H THR 20 H THR 20 -12.302 -3.820 2.972 183 HA THR 20 HA THR 20 -9.416 -4.392 2.861 184 HB THR 20 HB THR 20 -9.652 -2.239 1.885 185 HG1 THR 20 HG1 THR 20 -9.088 -1.765 4.621 186 HG21 THR 20 HG21 THR 20 -11.492 -1.059 2.232 187 HG22 THR 20 HG22 THR 20 -10.774 -0.548 3.760 188 HG23 THR 20 HG23 THR 20 -11.860 -1.936 3.719 189 H ASP 21 H ASP 21 -8.503 -4.946 4.727 190 HA ASP 21 HA ASP 21 -10.054 -4.535 7.198 191 HB2 ASP 21 HB3 ASP 21 -9.614 -6.921 6.367 192 HB3 ASP 21 HB2 ASP 21 -7.933 -6.643 6.816 193 H MET 22 H MET 22 -6.995 -4.083 5.621 194 HA MET 22 HA MET 22 -5.290 -3.663 7.764 195 HB2 MET 22 HB3 MET 22 -5.404 -2.623 4.967 196 HB3 MET 22 HB2 MET 22 -4.248 -1.912 6.085 197 HG2 MET 22 HG3 MET 22 -2.924 -3.537 5.270 198 HG3 MET 22 HG2 MET 22 -3.721 -4.491 6.520 199 HE1 MET 22 HE1 MET 22 -5.103 -7.254 5.086 200 HE2 MET 22 HE2 MET 22 -6.448 -6.117 5.184 201 HE3 MET 22 HE3 MET 22 -5.164 -6.073 6.393 202 H CYS 23 H CYS 23 -7.583 -1.440 6.258 203 HA CYS 23 HA CYS 23 -6.811 0.878 7.656 204 HB2 CYS 23 HB3 CYS 23 -8.959 1.799 6.974 205 HB3 CYS 23 HB2 CYS 23 -8.235 0.907 5.640 206 HG CYS 23 HG CYS 23 -10.202 -0.821 7.137 207 H ASN 24 H ASN 24 -8.769 -1.847 8.558 208 HA ASN 24 HA ASN 24 -9.894 -0.517 10.872 209 HB2 ASN 24 HB3 ASN 24 -10.751 -2.604 9.323 210 HB3 ASN 24 HB2 ASN 24 -10.107 -3.449 10.728 211 HD21 ASN 24 HD22 ASN 24 -12.069 -4.118 11.490 212 HD22 ASN 24 HD21 ASN 24 -13.247 -3.039 12.148 213 H VAL 25 H VAL 25 -7.711 -3.283 10.315 214 HA VAL 25 HA VAL 25 -7.056 -3.761 12.983 215 HB VAL 25 HB VAL 25 -5.062 -4.913 12.156 216 HG11 VAL 25 HG11 VAL 25 -6.193 -6.639 11.161 217 HG12 VAL 25 HG12 VAL 25 -7.141 -5.568 10.128 218 HG13 VAL 25 HG13 VAL 25 -7.543 -5.726 11.837 219 HG21 VAL 25 HG21 VAL 25 -4.914 -4.927 9.532 220 HG22 VAL 25 HG22 VAL 25 -4.103 -3.678 10.477 221 HG23 VAL 25 HG23 VAL 25 -5.647 -3.332 9.699 222 H GLY 26 H GLY 26 -5.676 -1.501 10.657 223 HA2 GLY 26 HA3 GLY 26 -4.829 0.606 11.600 224 HA3 GLY 26 HA2 GLY 26 -4.073 -0.356 12.861 225 H ALA 27 H ALA 27 -4.081 -1.320 9.500 226 HA ALA 27 HA ALA 27 -1.179 -1.289 9.496 227 HB1 ALA 27 HB1 ALA 27 -3.286 -2.656 7.988 228 HB2 ALA 27 HB2 ALA 27 -1.670 -3.203 8.434 229 HB3 ALA 27 HB3 ALA 27 -1.893 -2.173 7.019 230 H VAL 28 H VAL 28 -3.856 0.294 7.840 231 HA VAL 28 HA VAL 28 -2.308 1.661 5.911 232 HB VAL 28 HB VAL 28 -4.978 2.472 7.075 233 HG11 VAL 28 HG11 VAL 28 -3.377 3.416 4.741 234 HG12 VAL 28 HG12 VAL 28 -4.306 4.345 5.917 235 HG13 VAL 28 HG13 VAL 28 -5.138 3.439 4.653 236 HG21 VAL 28 HG21 VAL 28 -4.376 0.805 4.634 237 HG22 VAL 28 HG22 VAL 28 -5.973 1.292 5.199 238 HG23 VAL 28 HG23 VAL 28 -4.995 0.190 6.167 239 H TRP 29 H TRP 29 -0.749 3.064 6.373 240 HA TRP 29 HA TRP 29 -1.309 5.220 8.267 241 HB2 TRP 29 HB3 TRP 29 0.912 3.229 8.476 242 HB3 TRP 29 HB2 TRP 29 1.218 4.892 8.965 243 HD1 TRP 29 HD1 TRP 29 -1.526 2.232 9.712 244 HE1 TRP 29 HE1 TRP 29 -2.095 2.377 12.217 245 HE3 TRP 29 HE3 TRP 29 1.584 6.069 11.031 246 HZ2 TRP 29 HZ2 TRP 29 -1.328 3.913 14.457 247 HZ3 TRP 29 HZ3 TRP 29 1.606 6.816 13.375 248 HH2 TRP 29 HH2 TRP 29 0.180 5.759 15.051 249 H LEU 30 H LEU 30 -1.128 6.998 7.085 250 HA LEU 30 HA LEU 30 0.878 7.102 4.948 251 HB2 LEU 30 HB3 LEU 30 -1.749 7.751 4.874 252 HB3 LEU 30 HB2 LEU 30 -1.053 9.315 5.254 253 HG LEU 30 HG LEU 30 0.447 8.144 3.115 254 HD11 LEU 30 HD11 LEU 30 -2.466 7.735 2.990 255 HD12 LEU 30 HD12 LEU 30 -1.160 6.903 2.145 256 HD13 LEU 30 HD13 LEU 30 -1.732 8.467 1.563 257 HD21 LEU 30 HD21 LEU 30 0.322 10.239 2.289 258 HD22 LEU 30 HD22 LEU 30 -0.277 10.615 3.905 259 HD23 LEU 30 HD23 LEU 30 -1.413 10.367 2.579 260 H ASN 31 H ASN 31 2.396 8.731 4.817 261 HA ASN 31 HA ASN 31 4.034 10.042 5.724 262 HB2 ASN 31 HB3 ASN 31 3.252 12.242 6.427 263 HB3 ASN 31 HB2 ASN 31 2.338 11.688 5.028 264 HD21 ASN 31 HD22 ASN 31 0.264 12.089 5.145 265 HD22 ASN 31 HD21 ASN 31 -0.686 12.165 6.585 266 H GLY 32 H GLY 32 3.346 7.868 7.423 267 HA2 GLY 32 HA3 GLY 32 3.903 7.139 9.532 268 HA3 GLY 32 HA2 GLY 32 4.584 8.731 9.829 269 H SER 33 H SER 33 1.240 8.122 8.934 270 HA SER 33 HA SER 33 0.371 8.579 11.686 271 HB2 SER 33 HB3 SER 33 0.509 10.724 10.048 272 HB3 SER 33 HB2 SER 33 -1.108 10.144 9.648 273 HG SER 33 HG SER 33 -1.163 11.602 11.392 274 H CYS 34 H CYS 34 -1.708 7.820 12.149 275 HA CYS 34 HA CYS 34 -2.553 5.576 10.679 276 HB2 CYS 34 HB3 CYS 34 -4.551 5.633 12.181 277 HB3 CYS 34 HB2 CYS 34 -3.016 5.705 13.038 278 HG CYS 34 HG CYS 34 -4.879 7.476 13.888 279 H ALA 35 H ALA 35 -3.866 5.362 8.984 280 HA ALA 35 HA ALA 35 -5.722 7.542 8.330 281 HB1 ALA 35 HB1 ALA 35 -3.481 6.537 6.687 282 HB2 ALA 35 HB2 ALA 35 -4.221 8.137 6.744 283 HB3 ALA 35 HB3 ALA 35 -5.004 6.835 5.849 284 H LYS 36 H LYS 36 -7.565 6.922 7.150 285 HA LYS 36 HA LYS 36 -8.371 4.191 7.601 286 HB2 LYS 36 HB3 LYS 36 -9.707 6.580 7.564 287 HB3 LYS 36 HB2 LYS 36 -10.152 5.902 6.005 288 HG2 LYS 36 HG3 LYS 36 -10.398 3.838 7.921 289 HG3 LYS 36 HG2 LYS 36 -11.172 5.278 8.586 290 HD2 LYS 36 HD3 LYS 36 -11.785 4.795 5.764 291 HD3 LYS 36 HD2 LYS 36 -12.336 3.513 6.846 292 HE2 LYS 36 HE3 LYS 36 -14.145 4.871 7.005 293 HE3 LYS 36 HE2 LYS 36 -13.157 5.622 8.256 294 HZ1 LYS 36 HZ1 LYS 36 -13.901 6.621 5.630 295 HZ2 LYS 36 HZ2 LYS 36 -12.318 6.954 6.124 296 HZ3 LYS 36 HZ3 LYS 36 -13.623 7.463 7.070 297 H ALA 37 H ALA 37 -10.097 3.782 5.423 298 HA ALA 37 HA ALA 37 -8.142 3.036 3.386 299 HB1 ALA 37 HB1 ALA 37 -9.856 1.536 2.540 300 HB2 ALA 37 HB2 ALA 37 -11.026 2.204 3.679 301 HB3 ALA 37 HB3 ALA 37 -9.633 1.300 4.273 302 H SER 38 H SER 38 -9.139 5.809 3.686 303 HA SER 38 HA SER 38 -10.028 6.159 0.920 304 HB2 SER 38 HB3 SER 38 -11.269 8.170 2.566 305 HB3 SER 38 HB2 SER 38 -12.026 7.013 1.471 306 HG SER 38 HG SER 38 -12.481 6.977 3.895 307 H LYS 39 H LYS 39 -7.477 6.497 2.388 308 HA LYS 39 HA LYS 39 -7.092 9.380 2.418 309 HB2 LYS 39 HB3 LYS 39 -6.085 7.737 4.116 310 HB3 LYS 39 HB2 LYS 39 -4.955 7.302 2.840 311 HG2 LYS 39 HG3 LYS 39 -3.759 8.892 3.967 312 HG3 LYS 39 HG2 LYS 39 -4.539 9.877 2.728 313 HD2 LYS 39 HD3 LYS 39 -6.207 9.598 5.081 314 HD3 LYS 39 HD2 LYS 39 -4.628 10.279 5.478 315 HE2 LYS 39 HE3 LYS 39 -4.935 12.117 4.078 316 HE3 LYS 39 HE2 LYS 39 -6.216 11.324 3.162 317 HZ1 LYS 39 HZ1 LYS 39 -6.665 13.136 5.053 318 HZ2 LYS 39 HZ2 LYS 39 -6.748 11.726 5.987 319 HZ3 LYS 39 HZ3 LYS 39 -7.770 11.920 4.653 320 H GLU 40 H GLU 40 -5.856 10.522 0.978 321 HA GLU 40 HA GLU 40 -5.342 9.196 -1.565 322 HB2 GLU 40 HB3 GLU 40 -6.148 11.821 -0.763 323 HB3 GLU 40 HB2 GLU 40 -4.657 11.951 -1.685 324 HG2 GLU 40 HG3 GLU 40 -5.962 11.925 -3.482 325 HG3 GLU 40 HG2 GLU 40 -6.122 10.194 -3.184 326 H VAL 41 H VAL 41 -3.378 8.719 -2.321 327 HA VAL 41 HA VAL 41 -1.055 9.564 -0.727 328 HB VAL 41 HB VAL 41 0.118 7.662 -1.920 329 HG11 VAL 41 HG11 VAL 41 -0.404 7.251 0.308 330 HG12 VAL 41 HG12 VAL 41 -1.158 5.899 -0.538 331 HG13 VAL 41 HG13 VAL 41 -2.141 7.259 0.006 332 HG21 VAL 41 HG21 VAL 41 -2.510 6.413 -2.457 333 HG22 VAL 41 HG22 VAL 41 -0.969 6.224 -3.296 334 HG23 VAL 41 HG23 VAL 41 -1.969 7.646 -3.596 335 H LYS 42 H LYS 42 1.035 9.413 -2.233 336 HA LYS 42 HA LYS 42 0.617 10.501 -4.876 337 HB2 LYS 42 HB3 LYS 42 0.691 12.319 -2.824 338 HB3 LYS 42 HB2 LYS 42 2.377 12.264 -3.319 339 HG2 LYS 42 HG3 LYS 42 1.270 12.495 -5.724 340 HG3 LYS 42 HG2 LYS 42 0.001 13.267 -4.769 341 HD2 LYS 42 HD3 LYS 42 2.585 14.203 -3.923 342 HD3 LYS 42 HD2 LYS 42 2.411 14.401 -5.667 343 HE2 LYS 42 HE3 LYS 42 0.606 15.831 -5.458 344 HE3 LYS 42 HE2 LYS 42 0.190 15.235 -3.851 345 HZ1 LYS 42 HZ1 LYS 42 2.782 16.521 -4.093 346 HZ2 LYS 42 HZ2 LYS 42 1.623 16.638 -2.865 347 HZ3 LYS 42 HZ3 LYS 42 1.444 17.536 -4.287 348 H ALA 43 H ALA 43 2.838 11.124 -5.846 349 HA ALA 43 HA ALA 43 4.525 8.841 -5.603 350 HB1 ALA 43 HB1 ALA 43 5.073 11.405 -7.091 351 HB2 ALA 43 HB2 ALA 43 4.136 10.053 -7.729 352 HB3 ALA 43 HB3 ALA 43 5.845 9.840 -7.349 353 H GLY 44 H GLY 44 6.346 8.552 -4.461 354 HA2 GLY 44 HA3 GLY 44 8.250 9.076 -3.244 355 HA3 GLY 44 HA2 GLY 44 7.919 10.780 -3.518 356 H ASP 45 H ASP 45 5.493 8.659 -2.197 357 HA ASP 45 HA ASP 45 5.697 10.113 0.349 358 HB2 ASP 45 HB3 ASP 45 3.450 9.150 -1.279 359 HB3 ASP 45 HB2 ASP 45 3.288 8.796 0.439 360 H THR 46 H THR 46 5.132 8.886 2.322 361 HA THR 46 HA THR 46 6.446 6.279 2.261 362 HB THR 46 HB THR 46 5.537 7.720 4.740 363 HG1 THR 46 HG1 THR 46 6.923 9.220 4.348 364 HG21 THR 46 HG21 THR 46 6.776 5.312 4.441 365 HG22 THR 46 HG22 THR 46 6.834 6.321 5.885 366 HG23 THR 46 HG23 THR 46 8.136 6.405 4.699 367 H ILE 47 H ILE 47 5.508 4.393 2.974 368 HA ILE 47 HA ILE 47 2.649 4.492 3.662 369 HB ILE 47 HB ILE 47 3.861 2.440 1.809 370 HG12 ILE 47 HG13 ILE 47 3.818 4.670 0.755 371 HG13 ILE 47 HG12 ILE 47 2.670 3.572 -0.002 372 HG21 ILE 47 HG21 ILE 47 0.966 3.034 2.390 373 HG22 ILE 47 HG22 ILE 47 1.892 1.765 3.192 374 HG23 ILE 47 HG23 ILE 47 1.620 1.693 1.450 375 HD11 ILE 47 HD11 ILE 47 2.174 6.126 0.969 376 HD12 ILE 47 HD12 ILE 47 1.423 5.037 2.135 377 HD13 ILE 47 HD13 ILE 47 0.986 4.939 0.429 378 H SER 48 H SER 48 2.720 3.891 5.754 379 HA SER 48 HA SER 48 4.490 1.739 6.599 380 HB2 SER 48 HB3 SER 48 4.528 3.482 8.158 381 HB3 SER 48 HB2 SER 48 2.788 3.752 8.043 382 HG SER 48 HG SER 48 2.441 1.883 9.209 383 H LEU 49 H LEU 49 3.820 -0.206 7.447 384 HA LEU 49 HA LEU 49 0.953 -0.831 7.224 385 HB2 LEU 49 HB3 LEU 49 3.313 -2.312 6.130 386 HB3 LEU 49 HB2 LEU 49 1.872 -3.197 6.594 387 HG LEU 49 HG LEU 49 1.947 -2.681 4.182 388 HD11 LEU 49 HD11 LEU 49 -0.214 -1.884 6.001 389 HD12 LEU 49 HD12 LEU 49 -0.234 -2.975 4.615 390 HD13 LEU 49 HD13 LEU 49 -0.334 -1.231 4.367 391 HD21 LEU 49 HD21 LEU 49 2.184 -0.606 3.321 392 HD22 LEU 49 HD22 LEU 49 3.000 -0.308 4.856 393 HD23 LEU 49 HD23 LEU 49 1.313 0.164 4.646 394 H HIS 50 H HIS 50 0.168 -2.439 8.647 395 HA HIS 50 HA HIS 50 1.924 -2.918 10.967 396 HB2 HIS 50 HB3 HIS 50 -0.102 -1.443 11.321 397 HB3 HIS 50 HB2 HIS 50 -1.096 -2.861 11.002 398 HD1 HIS 50 HD1 HIS 50 -1.758 -2.004 13.605 399 HD2 HIS 50 HD2 HIS 50 1.775 -4.112 13.022 400 HE1 HIS 50 HE1 HIS 50 -1.138 -2.913 15.866 401 HE2 HIS 50 HE2 HIS 50 1.050 -4.110 15.505 402 H TYR 51 H TYR 51 2.475 -4.951 11.347 403 HA TYR 51 HA TYR 51 0.666 -7.101 10.481 404 HB2 TYR 51 HB3 TYR 51 3.616 -6.836 9.948 405 HB3 TYR 51 HB2 TYR 51 2.830 -8.412 9.974 406 HD1 TYR 51 HD2 TYR 51 1.242 -9.038 8.235 407 HD2 TYR 51 HD1 TYR 51 3.187 -5.255 8.161 408 HE1 TYR 51 HE2 TYR 51 0.560 -8.740 5.892 409 HE2 TYR 51 HE1 TYR 51 2.509 -4.946 5.819 410 HH TYR 51 HH TYR 51 1.831 -6.251 3.910 411 H LEU 52 H LEU 52 1.745 -9.291 11.406 412 HA LEU 52 HA LEU 52 1.639 -8.959 14.268 413 HB2 LEU 52 HB3 LEU 52 1.754 -11.426 14.317 414 HB3 LEU 52 HB2 LEU 52 0.457 -10.815 13.310 415 HG LEU 52 HG LEU 52 2.905 -11.294 11.797 416 HD11 LEU 52 HD11 LEU 52 3.416 -13.107 13.146 417 HD12 LEU 52 HD12 LEU 52 2.438 -13.832 11.870 418 HD13 LEU 52 HD13 LEU 52 1.722 -13.492 13.446 419 HD21 LEU 52 HD21 LEU 52 1.249 -12.621 10.429 420 HD22 LEU 52 HD22 LEU 52 0.879 -10.909 10.637 421 HD23 LEU 52 HD23 LEU 52 0.019 -12.119 11.589 422 H LYS 53 H LYS 53 4.056 -9.668 11.841 423 HA LYS 53 HA LYS 53 6.081 -10.441 13.722 424 HB2 LYS 53 HB3 LYS 53 7.597 -10.346 11.772 425 HB3 LYS 53 HB2 LYS 53 6.161 -11.312 11.461 426 HG2 LYS 53 HG3 LYS 53 5.374 -8.853 10.588 427 HG3 LYS 53 HG2 LYS 53 7.091 -8.853 10.184 428 HD2 LYS 53 HD3 LYS 53 6.827 -10.386 8.561 429 HD3 LYS 53 HD2 LYS 53 5.705 -11.349 9.523 430 HE2 LYS 53 HE3 LYS 53 4.476 -8.864 8.781 431 HE3 LYS 53 HE2 LYS 53 5.114 -9.668 7.348 432 HZ1 LYS 53 HZ1 LYS 53 2.826 -10.323 7.851 433 HZ2 LYS 53 HZ2 LYS 53 3.321 -10.932 9.350 434 HZ3 LYS 53 HZ3 LYS 53 3.882 -11.643 7.920 435 H GLY 54 H GLY 54 5.054 -7.477 12.184 436 HA2 GLY 54 HA3 GLY 54 6.087 -5.730 14.015 437 HA3 GLY 54 HA2 GLY 54 7.406 -5.985 12.883 438 H ILE 55 H ILE 55 7.184 -3.673 12.478 439 HA ILE 55 HA ILE 55 4.918 -3.046 10.700 440 HB ILE 55 HB ILE 55 6.686 -1.027 12.072 441 HG12 ILE 55 HG13 ILE 55 5.520 -2.398 13.762 442 HG13 ILE 55 HG12 ILE 55 4.914 -0.744 13.731 443 HG21 ILE 55 HG21 ILE 55 5.383 0.567 11.157 444 HG22 ILE 55 HG22 ILE 55 3.915 -0.399 11.301 445 HG23 ILE 55 HG23 ILE 55 5.034 -0.688 9.969 446 HD11 ILE 55 HD11 ILE 55 3.243 -2.691 13.903 447 HD12 ILE 55 HD12 ILE 55 3.540 -2.893 12.176 448 HD13 ILE 55 HD13 ILE 55 2.897 -1.368 12.788 449 H GLU 56 H GLU 56 5.292 -2.249 8.680 450 HA GLU 56 HA GLU 56 8.105 -2.003 7.844 451 HB2 GLU 56 HB3 GLU 56 5.826 -3.130 6.210 452 HB3 GLU 56 HB2 GLU 56 7.491 -2.947 5.674 453 HG2 GLU 56 HG3 GLU 56 7.658 -4.421 8.026 454 HG3 GLU 56 HG2 GLU 56 6.259 -5.075 7.177 455 H GLU 57 H GLU 57 8.622 -0.104 7.001 456 HA GLU 57 HA GLU 57 6.450 1.693 6.175 457 HB2 GLU 57 HB3 GLU 57 8.026 2.379 8.034 458 HB3 GLU 57 HB2 GLU 57 9.295 2.462 6.820 459 HG2 GLU 57 HG3 GLU 57 8.578 4.421 6.030 460 HG3 GLU 57 HG2 GLU 57 6.883 3.942 6.104 461 H TYR 58 H TYR 58 6.119 1.419 4.047 462 HA TYR 58 HA TYR 58 8.380 1.091 2.242 463 HB2 TYR 58 HB3 TYR 58 5.424 1.148 1.601 464 HB3 TYR 58 HB2 TYR 58 6.720 0.638 0.526 465 HD1 TYR 58 HD2 TYR 58 5.044 -0.213 3.734 466 HD2 TYR 58 HD1 TYR 58 7.419 -1.596 0.488 467 HE1 TYR 58 HE2 TYR 58 4.805 -2.520 4.551 468 HE2 TYR 58 HE1 TYR 58 7.185 -3.908 1.295 469 HH TYR 58 HH TYR 58 5.952 -4.662 4.380 470 H THR 59 H THR 59 7.886 2.312 0.009 471 HA THR 59 HA THR 59 7.067 5.066 0.476 472 HB THR 59 HB THR 59 9.853 4.321 -0.435 473 HG1 THR 59 HG1 THR 59 10.444 4.834 1.510 474 HG21 THR 59 HG21 THR 59 8.765 7.095 -0.067 475 HG22 THR 59 HG22 THR 59 8.908 6.300 -1.635 476 HG23 THR 59 HG23 THR 59 10.352 6.622 -0.675 477 H ILE 60 H ILE 60 6.015 5.852 -1.233 478 HA ILE 60 HA ILE 60 5.696 4.259 -3.588 479 HB ILE 60 HB ILE 60 4.786 7.110 -3.213 480 HG12 ILE 60 HG13 ILE 60 3.353 4.559 -2.437 481 HG13 ILE 60 HG12 ILE 60 4.040 5.726 -1.312 482 HG21 ILE 60 HG21 ILE 60 4.258 4.958 -5.168 483 HG22 ILE 60 HG22 ILE 60 4.289 6.709 -5.383 484 HG23 ILE 60 HG23 ILE 60 2.876 5.933 -4.669 485 HD11 ILE 60 HD11 ILE 60 2.153 6.865 -3.236 486 HD12 ILE 60 HD12 ILE 60 2.292 7.105 -1.494 487 HD13 ILE 60 HD13 ILE 60 1.458 5.685 -2.125 488 H LEU 61 H LEU 61 6.830 4.334 -5.418 489 HA LEU 61 HA LEU 61 8.749 6.529 -5.769 490 HB2 LEU 61 HB3 LEU 61 8.704 3.775 -7.000 491 HB3 LEU 61 HB2 LEU 61 9.931 4.993 -7.293 492 HG LEU 61 HG LEU 61 9.382 3.961 -4.524 493 HD11 LEU 61 HD11 LEU 61 11.248 2.394 -4.853 494 HD12 LEU 61 HD12 LEU 61 11.278 2.813 -6.566 495 HD13 LEU 61 HD13 LEU 61 9.865 2.014 -5.878 496 HD21 LEU 61 HD21 LEU 61 11.676 4.701 -4.135 497 HD22 LEU 61 HD22 LEU 61 10.670 6.024 -4.725 498 HD23 LEU 61 HD23 LEU 61 11.799 5.221 -5.815 499 H GLN 62 H GLN 62 5.739 5.702 -6.836 500 HA GLN 62 HA GLN 62 5.670 7.594 -8.881 501 HB2 GLN 62 HB3 GLN 62 6.685 5.019 -9.712 502 HB3 GLN 62 HB2 GLN 62 5.189 5.393 -10.556 503 HG2 GLN 62 HG3 GLN 62 7.121 7.597 -10.423 504 HG3 GLN 62 HG2 GLN 62 7.645 6.191 -11.348 505 HE21 GLN 62 HE22 GLN 62 5.297 8.748 -11.096 506 HE22 GLN 62 HE21 GLN 62 4.679 8.613 -12.703 507 H ILE 63 H ILE 63 3.633 7.447 -10.206 508 HA ILE 63 HA ILE 63 1.528 5.930 -8.822 509 HB ILE 63 HB ILE 63 1.253 8.811 -9.684 510 HG12 ILE 63 HG13 ILE 63 2.763 8.535 -7.731 511 HG13 ILE 63 HG12 ILE 63 1.278 9.390 -7.327 512 HG21 ILE 63 HG21 ILE 63 -0.844 8.621 -8.271 513 HG22 ILE 63 HG22 ILE 63 -0.597 6.875 -8.323 514 HG23 ILE 63 HG23 ILE 63 -0.856 7.774 -9.818 515 HD11 ILE 63 HD11 ILE 63 1.211 7.983 -5.595 516 HD12 ILE 63 HD12 ILE 63 2.302 6.830 -6.362 517 HD13 ILE 63 HD13 ILE 63 0.587 6.826 -6.770 518 HA PRO 64 HA PRO 64 0.976 5.116 -13.264 519 HB2 PRO 64 HB2 PRO 64 -0.323 2.776 -12.983 520 HB3 PRO 64 HB3 PRO 64 1.429 2.904 -12.794 521 HG2 PRO 64 HG3 PRO 64 -0.698 2.807 -10.687 522 HG3 PRO 64 HG2 PRO 64 0.859 1.959 -10.744 523 HD2 PRO 64 HD3 PRO 64 0.452 4.232 -9.298 524 HD3 PRO 64 HD2 PRO 64 2.024 3.793 -9.994 525 H ALA 65 H ALA 65 -1.218 5.814 -10.782 526 HA ALA 65 HA ALA 65 -3.336 6.635 -10.763 527 HB1 ALA 65 HB1 ALA 65 -2.469 7.074 -13.548 528 HB2 ALA 65 HB2 ALA 65 -3.121 8.209 -12.366 529 HB3 ALA 65 HB3 ALA 65 -4.207 7.141 -13.253 530 H LEU 66 H LEU 66 -2.953 3.804 -10.804 531 HA LEU 66 HA LEU 66 -5.593 3.025 -11.775 532 HB2 LEU 66 HB3 LEU 66 -4.576 0.843 -12.581 533 HB3 LEU 66 HB2 LEU 66 -4.318 2.257 -13.584 534 HG LEU 66 HG LEU 66 -2.067 2.414 -12.211 535 HD11 LEU 66 HD11 LEU 66 -1.389 -0.173 -12.110 536 HD12 LEU 66 HD12 LEU 66 -3.092 -0.301 -11.664 537 HD13 LEU 66 HD13 LEU 66 -2.006 0.718 -10.719 538 HD21 LEU 66 HD21 LEU 66 -2.822 0.882 -14.630 539 HD22 LEU 66 HD22 LEU 66 -1.204 0.617 -13.981 540 HD23 LEU 66 HD23 LEU 66 -1.714 2.240 -14.447 541 H LYS 67 H LYS 67 -5.838 0.522 -11.085 542 HA LYS 67 HA LYS 67 -5.114 0.454 -8.232 543 HB2 LYS 67 HB3 LYS 67 -7.456 -0.816 -9.664 544 HB3 LYS 67 HB2 LYS 67 -7.097 -1.013 -7.954 545 HG2 LYS 67 HG3 LYS 67 -7.571 1.248 -7.490 546 HG3 LYS 67 HG2 LYS 67 -7.568 1.677 -9.202 547 HD2 LYS 67 HD3 LYS 67 -9.495 -0.406 -8.380 548 HD3 LYS 67 HD2 LYS 67 -9.811 1.226 -7.787 549 HE2 LYS 67 HE3 LYS 67 -9.825 2.096 -10.026 550 HE3 LYS 67 HE2 LYS 67 -9.305 0.543 -10.679 551 HZ1 LYS 67 HZ1 LYS 67 -11.519 -0.181 -9.403 552 HZ2 LYS 67 HZ2 LYS 67 -11.502 0.304 -11.024 553 HZ3 LYS 67 HZ3 LYS 67 -11.942 1.403 -9.817 554 H ASN 68 H ASN 68 -6.152 -1.995 -10.599 555 HA ASN 68 HA ASN 68 -4.521 -4.017 -9.454 556 HB2 ASN 68 HB3 ASN 68 -6.641 -4.390 -10.772 557 HB3 ASN 68 HB2 ASN 68 -5.721 -4.019 -12.228 558 HD21 ASN 68 HD22 ASN 68 -3.781 -5.356 -12.603 559 HD22 ASN 68 HD21 ASN 68 -3.853 -7.028 -12.174 560 H VAL 69 H VAL 69 -2.469 -4.569 -9.836 561 HA VAL 69 HA VAL 69 -1.112 -3.346 -12.148 562 HB VAL 69 HB VAL 69 0.213 -3.950 -9.506 563 HG11 VAL 69 HG11 VAL 69 1.695 -3.899 -11.445 564 HG12 VAL 69 HG12 VAL 69 1.998 -2.528 -10.378 565 HG13 VAL 69 HG13 VAL 69 1.091 -2.298 -11.872 566 HG21 VAL 69 HG21 VAL 69 -1.110 -2.229 -8.805 567 HG22 VAL 69 HG22 VAL 69 -1.276 -1.549 -10.424 568 HG23 VAL 69 HG23 VAL 69 0.211 -1.299 -9.510 569 HA PRO 70 HA PRO 70 -0.135 -7.447 -13.509 570 HB2 PRO 70 HB2 PRO 70 2.472 -6.243 -14.295 571 HB3 PRO 70 HB3 PRO 70 1.327 -7.178 -15.262 572 HG2 PRO 70 HG3 PRO 70 1.523 -4.540 -15.563 573 HG3 PRO 70 HG2 PRO 70 -0.052 -5.351 -15.635 574 HD2 PRO 70 HD3 PRO 70 1.148 -3.728 -13.434 575 HD3 PRO 70 HD2 PRO 70 -0.541 -3.832 -13.971 576 H ARG 71 H ARG 71 1.246 -9.203 -13.010 577 HA ARG 71 HA ARG 71 2.594 -8.912 -10.455 578 HB2 ARG 71 HB3 ARG 71 1.032 -10.792 -10.855 579 HB3 ARG 71 HB2 ARG 71 2.103 -11.393 -12.113 580 HG2 ARG 71 HG3 ARG 71 3.558 -12.273 -10.640 581 HG3 ARG 71 HG2 ARG 71 3.357 -10.952 -9.488 582 HD2 ARG 71 HD3 ARG 71 2.146 -12.353 -8.253 583 HD3 ARG 71 HD2 ARG 71 0.899 -12.242 -9.493 584 HE ARG 71 HE ARG 71 1.338 -14.412 -9.997 585 HH11 ARG 71 HH11 ARG 71 4.217 -13.037 -8.583 586 HH12 ARG 71 HH12 ARG 71 5.103 -14.523 -8.634 587 HH21 ARG 71 HH22 ARG 71 2.503 -16.368 -10.065 588 HH22 ARG 71 HH21 ARG 71 4.131 -16.415 -9.475 589 H LYS 72 H LYS 72 4.080 -7.503 -12.080 590 HA LYS 72 HA LYS 72 6.508 -9.083 -12.338 591 HB2 LYS 72 HB3 LYS 72 5.027 -7.891 -14.622 592 HB3 LYS 72 HB2 LYS 72 6.777 -7.727 -14.633 593 HG2 LYS 72 HG3 LYS 72 5.857 -10.428 -14.011 594 HG3 LYS 72 HG2 LYS 72 5.372 -9.855 -15.607 595 HD2 LYS 72 HD3 LYS 72 8.013 -9.065 -15.411 596 HD3 LYS 72 HD2 LYS 72 7.996 -10.645 -14.625 597 HE2 LYS 72 HE3 LYS 72 6.684 -10.206 -17.287 598 HE3 LYS 72 HE2 LYS 72 8.409 -10.546 -17.161 599 HZ1 LYS 72 HZ1 LYS 72 6.656 -12.330 -15.686 600 HZ2 LYS 72 HZ2 LYS 72 8.038 -12.678 -16.599 601 HZ3 LYS 72 HZ3 LYS 72 6.552 -12.434 -17.371 602 H ASP 73 H ASP 73 5.173 -5.862 -13.098 603 HA ASP 73 HA ASP 73 7.572 -4.662 -11.896 604 HB2 ASP 73 HB3 ASP 73 5.499 -3.369 -13.681 605 HB3 ASP 73 HB2 ASP 73 7.007 -2.642 -13.134 606 H THR 74 H THR 74 5.345 -5.745 -10.352 607 HA THR 74 HA THR 74 3.887 -3.455 -9.355 608 HB THR 74 HB THR 74 2.710 -5.548 -9.465 609 HG1 THR 74 HG1 THR 74 3.321 -5.038 -6.746 610 HG21 THR 74 HG21 THR 74 3.351 -7.422 -7.920 611 HG22 THR 74 HG22 THR 74 4.924 -6.640 -7.761 612 HG23 THR 74 HG23 THR 74 4.378 -7.207 -9.339 613 H HIS 75 H HIS 75 6.973 -4.441 -8.907 614 HA HIS 75 HA HIS 75 7.010 -3.592 -6.088 615 HB2 HIS 75 HB3 HIS 75 9.166 -4.801 -5.908 616 HB3 HIS 75 HB2 HIS 75 7.826 -5.862 -6.328 617 HD1 HIS 75 HD1 HIS 75 8.831 -4.038 -9.278 618 HD2 HIS 75 HD2 HIS 75 10.162 -7.429 -7.280 619 HE1 HIS 75 HE1 HIS 75 10.249 -5.281 -10.937 620 HE2 HIS 75 HE2 HIS 75 10.979 -7.369 -9.733 621 H LEU 76 H LEU 76 7.035 -1.904 -8.529 622 HA LEU 76 HA LEU 76 9.672 -0.636 -8.177 623 HB2 LEU 76 HB3 LEU 76 7.897 -0.974 -10.538 624 HB3 LEU 76 HB2 LEU 76 8.828 0.507 -10.430 625 HG LEU 76 HG LEU 76 10.284 -2.058 -10.049 626 HD11 LEU 76 HD11 LEU 76 10.004 -1.161 -12.843 627 HD12 LEU 76 HD12 LEU 76 8.607 -1.983 -12.147 628 HD13 LEU 76 HD13 LEU 76 10.177 -2.786 -12.180 629 HD21 LEU 76 HD21 LEU 76 12.077 -0.851 -11.062 630 HD22 LEU 76 HD22 LEU 76 11.332 0.203 -9.860 631 HD23 LEU 76 HD23 LEU 76 10.992 0.441 -11.575 632 H TYR 77 H TYR 77 6.203 -0.125 -8.290 633 HA TYR 77 HA TYR 77 6.330 2.716 -8.027 634 HB2 TYR 77 HB3 TYR 77 4.060 0.789 -7.490 635 HB3 TYR 77 HB2 TYR 77 3.905 2.542 -7.547 636 HD1 TYR 77 HD2 TYR 77 4.500 3.716 -9.739 637 HD2 TYR 77 HD1 TYR 77 3.888 -0.484 -9.448 638 HE1 TYR 77 HE2 TYR 77 4.123 3.609 -12.166 639 HE2 TYR 77 HE1 TYR 77 3.509 -0.603 -11.875 640 HH TYR 77 HH TYR 77 2.779 0.936 -13.702 641 H ILE 78 H ILE 78 6.730 0.131 -5.837 642 HA ILE 78 HA ILE 78 6.926 2.002 -3.627 643 HB ILE 78 HB ILE 78 4.589 1.278 -3.506 644 HG12 ILE 78 HG13 ILE 78 6.231 -0.025 -1.325 645 HG13 ILE 78 HG12 ILE 78 5.928 1.706 -1.434 646 HG21 ILE 78 HG21 ILE 78 4.665 -0.835 -4.603 647 HG22 ILE 78 HG22 ILE 78 4.109 -1.112 -2.952 648 HG23 ILE 78 HG23 ILE 78 5.775 -1.485 -3.396 649 HD11 ILE 78 HD11 ILE 78 3.764 1.507 -0.772 650 HD12 ILE 78 HD12 ILE 78 4.458 0.122 0.071 651 HD13 ILE 78 HD13 ILE 78 3.588 -0.113 -1.445 652 H ALA 79 H ALA 79 8.465 1.428 -2.169 653 HA ALA 79 HA ALA 79 9.509 -1.305 -2.222 654 HB1 ALA 79 HB1 ALA 79 11.370 1.052 -2.362 655 HB2 ALA 79 HB2 ALA 79 10.817 0.186 -3.796 656 HB3 ALA 79 HB3 ALA 79 11.753 -0.658 -2.563 657 HA PRO 80 HA PRO 80 9.449 -0.790 2.185 658 HB2 PRO 80 HB2 PRO 80 11.733 -2.675 2.215 659 HB3 PRO 80 HB3 PRO 80 10.154 -2.808 2.995 660 HG2 PRO 80 HG3 PRO 80 10.765 -4.288 0.858 661 HG3 PRO 80 HG2 PRO 80 9.133 -3.635 1.092 662 HD2 PRO 80 HD3 PRO 80 11.319 -2.677 -0.714 663 HD3 PRO 80 HD2 PRO 80 9.571 -2.775 -1.011 664 H LYS 81 H LYS 81 10.270 0.932 3.185 665 HA LYS 81 HA LYS 81 12.928 1.890 2.548 666 HB2 LYS 81 HB3 LYS 81 10.970 3.423 2.824 667 HB3 LYS 81 HB2 LYS 81 10.941 3.007 4.532 668 HG2 LYS 81 HG3 LYS 81 12.673 4.342 5.019 669 HG3 LYS 81 HG2 LYS 81 13.546 3.917 3.545 670 HD2 LYS 81 HD3 LYS 81 12.595 5.599 2.332 671 HD3 LYS 81 HD2 LYS 81 11.097 5.570 3.265 672 HE2 LYS 81 HE3 LYS 81 12.218 6.666 5.126 673 HE3 LYS 81 HE2 LYS 81 13.738 6.656 4.235 674 HZ1 LYS 81 HZ1 LYS 81 11.409 7.925 2.992 675 HZ2 LYS 81 HZ2 LYS 81 13.050 8.314 2.855 676 HZ3 LYS 81 HZ3 LYS 81 12.190 8.749 4.246 677 H THR 82 H THR 82 14.709 1.505 3.689 678 HA THR 82 HA THR 82 14.574 0.966 6.534 679 HB THR 82 HB THR 82 16.266 -1.076 5.662 680 HG1 THR 82 HG1 THR 82 14.888 -2.257 4.256 681 HG21 THR 82 HG21 THR 82 13.416 -1.669 6.283 682 HG22 THR 82 HG22 THR 82 14.456 -0.970 7.524 683 HG23 THR 82 HG23 THR 82 14.880 -2.513 6.785 684 H LYS 83 H LYS 83 16.430 1.502 7.605 685 HA LYS 83 HA LYS 83 18.848 2.055 6.066 686 HB2 LYS 83 HB3 LYS 83 17.394 4.103 7.743 687 HB3 LYS 83 HB2 LYS 83 19.065 4.284 7.228 688 HG2 LYS 83 HG3 LYS 83 16.932 3.780 5.202 689 HG3 LYS 83 HG2 LYS 83 17.163 5.399 5.865 690 HD2 LYS 83 HD3 LYS 83 19.621 5.118 5.249 691 HD3 LYS 83 HD2 LYS 83 19.108 3.723 4.300 692 HE2 LYS 83 HE3 LYS 83 18.101 6.548 3.975 693 HE3 LYS 83 HE2 LYS 83 19.268 5.744 2.926 694 HZ1 LYS 83 HZ1 LYS 83 17.666 4.393 2.028 695 HZ2 LYS 83 HZ2 LYS 83 16.770 5.805 2.286 696 HZ3 LYS 83 HZ3 LYS 83 16.637 4.510 3.365 697 H GLU 84 H GLU 84 19.419 0.101 7.292 698 HA GLU 84 HA GLU 84 19.638 0.217 10.140 699 HB2 GLU 84 HB3 GLU 84 20.680 -1.669 8.041 700 HB3 GLU 84 HB2 GLU 84 21.142 -1.836 9.728 701 HG2 GLU 84 HG3 GLU 84 18.426 -1.634 9.898 702 HG3 GLU 84 HG2 GLU 84 18.642 -2.514 8.385 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -3.376 7.815 -6.316 2 H2 MET 1 H2 MET 1 -4.885 8.578 -6.037 3 H3 MET 1 H3 MET 1 -4.632 7.679 -7.477 4 HA MET 1 HA MET 1 -5.904 6.337 -6.129 5 HB2 MET 1 HB3 MET 1 -3.433 5.636 -7.060 6 HB3 MET 1 HB2 MET 1 -3.305 5.172 -5.369 7 HG2 MET 1 HG3 MET 1 -4.043 3.311 -6.734 8 HG3 MET 1 HG2 MET 1 -5.293 3.786 -5.586 9 HE1 MET 1 HE1 MET 1 -8.236 3.942 -7.354 10 HE2 MET 1 HE2 MET 1 -7.717 5.588 -6.987 11 HE3 MET 1 HE3 MET 1 -7.307 4.269 -5.891 12 H ARG 2 H ARG 2 -5.818 4.941 -4.047 13 HA ARG 2 HA ARG 2 -5.001 6.642 -1.784 14 HB2 ARG 2 HB3 ARG 2 -7.501 4.947 -1.923 15 HB3 ARG 2 HB2 ARG 2 -7.014 5.987 -0.591 16 HG2 ARG 2 HG3 ARG 2 -8.368 7.486 -1.541 17 HG3 ARG 2 HG2 ARG 2 -7.034 7.743 -2.667 18 HD2 ARG 2 HD3 ARG 2 -8.089 6.685 -4.367 19 HD3 ARG 2 HD2 ARG 2 -8.858 5.511 -3.300 20 HE ARG 2 HE ARG 2 -9.935 8.032 -4.175 21 HH11 ARG 2 HH11 ARG 2 -10.068 5.555 -1.718 22 HH12 ARG 2 HH12 ARG 2 -11.686 5.943 -1.239 23 HH21 ARG 2 HH22 ARG 2 -12.062 8.543 -3.545 24 HH22 ARG 2 HH21 ARG 2 -12.819 7.639 -2.276 25 H ILE 3 H ILE 3 -4.695 5.473 0.251 26 HA ILE 3 HA ILE 3 -2.926 3.351 0.054 27 HB ILE 3 HB ILE 3 -3.142 4.808 2.031 28 HG12 ILE 3 HG13 ILE 3 -2.446 3.202 3.580 29 HG13 ILE 3 HG12 ILE 3 -3.544 1.977 2.960 30 HG21 ILE 3 HG21 ILE 3 -4.879 4.626 3.593 31 HG22 ILE 3 HG22 ILE 3 -5.476 3.126 2.885 32 HG23 ILE 3 HG23 ILE 3 -5.684 4.652 2.024 33 HD11 ILE 3 HD11 ILE 3 -2.140 1.419 1.229 34 HD12 ILE 3 HD12 ILE 3 -0.992 1.814 2.508 35 HD13 ILE 3 HD13 ILE 3 -1.333 2.987 1.236 36 H ASP 4 H ASP 4 -6.386 3.292 0.041 37 HA ASP 4 HA ASP 4 -6.641 0.553 0.816 38 HB2 ASP 4 HB3 ASP 4 -8.988 0.819 -0.071 39 HB3 ASP 4 HB2 ASP 4 -8.533 1.971 1.180 40 H LYS 5 H LYS 5 -6.838 2.263 -2.300 41 HA LYS 5 HA LYS 5 -6.864 -0.275 -3.723 42 HB2 LYS 5 HB3 LYS 5 -7.494 2.532 -4.366 43 HB3 LYS 5 HB2 LYS 5 -6.765 1.613 -5.675 44 HG2 LYS 5 HG3 LYS 5 -8.638 -0.138 -4.845 45 HG3 LYS 5 HG2 LYS 5 -9.431 1.390 -4.456 46 HD2 LYS 5 HD3 LYS 5 -8.330 1.758 -6.999 47 HD3 LYS 5 HD2 LYS 5 -9.017 0.133 -7.023 48 HE2 LYS 5 HE3 LYS 5 -11.125 1.132 -6.076 49 HE3 LYS 5 HE2 LYS 5 -10.416 2.718 -6.368 50 HZ1 LYS 5 HZ1 LYS 5 -11.916 1.877 -8.157 51 HZ2 LYS 5 HZ2 LYS 5 -10.766 0.682 -8.494 52 HZ3 LYS 5 HZ3 LYS 5 -10.370 2.315 -8.686 53 H PHE 6 H PHE 6 -4.488 1.700 -2.484 54 HA PHE 6 HA PHE 6 -2.655 1.605 -4.691 55 HB2 PHE 6 HB3 PHE 6 -2.649 3.437 -3.026 56 HB3 PHE 6 HB2 PHE 6 -2.111 2.293 -1.801 57 HD1 PHE 6 HD1 PHE 6 -1.168 3.948 -4.964 58 HD2 PHE 6 HD2 PHE 6 0.158 1.683 -1.615 59 HE1 PHE 6 HE1 PHE 6 1.168 4.369 -5.610 60 HE2 PHE 6 HE2 PHE 6 2.497 2.100 -2.254 61 HZ PHE 6 HZ PHE 6 3.004 3.445 -4.254 62 H LEU 7 H LEU 7 -2.184 0.351 -1.380 63 HA LEU 7 HA LEU 7 -0.255 -1.535 -2.336 64 HB2 LEU 7 HB3 LEU 7 -0.030 -2.203 -0.007 65 HB3 LEU 7 HB2 LEU 7 0.050 -0.463 -0.193 66 HG LEU 7 HG LEU 7 -2.406 -0.418 0.491 67 HD11 LEU 7 HD11 LEU 7 -3.406 -2.405 0.630 68 HD12 LEU 7 HD12 LEU 7 -2.502 -2.649 2.121 69 HD13 LEU 7 HD13 LEU 7 -1.874 -3.271 0.596 70 HD21 LEU 7 HD21 LEU 7 -0.702 -1.490 2.695 71 HD22 LEU 7 HD22 LEU 7 -1.819 -0.126 2.699 72 HD23 LEU 7 HD23 LEU 7 -0.253 0.019 1.899 73 H GLN 8 H GLN 8 -3.591 -1.613 -2.198 74 HA GLN 8 HA GLN 8 -3.771 -4.471 -1.697 75 HB2 GLN 8 HB3 GLN 8 -5.891 -2.432 -2.361 76 HB3 GLN 8 HB2 GLN 8 -6.204 -4.114 -1.955 77 HG2 GLN 8 HG3 GLN 8 -4.999 -3.647 0.232 78 HG3 GLN 8 HG2 GLN 8 -5.125 -1.939 -0.192 79 HE21 GLN 8 HE22 GLN 8 -6.368 -1.782 1.782 80 HE22 GLN 8 HE21 GLN 8 -8.050 -2.172 1.762 81 H SER 9 H SER 9 -3.735 -2.238 -4.360 82 HA SER 9 HA SER 9 -4.638 -4.273 -6.244 83 HB2 SER 9 HB3 SER 9 -3.926 -1.355 -6.607 84 HB3 SER 9 HB2 SER 9 -4.423 -2.419 -7.923 85 HG SER 9 HG SER 9 -5.984 -1.049 -6.351 86 H VAL 10 H VAL 10 -1.731 -2.569 -5.285 87 HA VAL 10 HA VAL 10 -0.052 -3.121 -7.419 88 HB VAL 10 HB VAL 10 1.818 -3.030 -5.783 89 HG11 VAL 10 HG11 VAL 10 0.858 -0.725 -4.758 90 HG12 VAL 10 HG12 VAL 10 -0.283 -0.989 -6.076 91 HG13 VAL 10 HG13 VAL 10 1.446 -0.898 -6.413 92 HG21 VAL 10 HG21 VAL 10 0.928 -4.119 -3.881 93 HG22 VAL 10 HG22 VAL 10 -0.448 -3.018 -3.806 94 HG23 VAL 10 HG23 VAL 10 1.170 -2.436 -3.414 95 H GLY 11 H GLY 11 -1.198 -5.235 -4.891 96 HA2 GLY 11 HA3 GLY 11 -1.255 -7.625 -5.503 97 HA3 GLY 11 HA2 GLY 11 0.392 -7.423 -6.085 98 H LEU 12 H LEU 12 -0.940 -6.093 -3.108 99 HA LEU 12 HA LEU 12 0.995 -7.729 -1.609 100 HB2 LEU 12 HB3 LEU 12 0.450 -4.945 -1.601 101 HB3 LEU 12 HB2 LEU 12 -0.072 -5.575 -0.050 102 HG LEU 12 HG LEU 12 2.685 -5.971 -1.214 103 HD11 LEU 12 HD11 LEU 12 2.920 -3.802 -0.677 104 HD12 LEU 12 HD12 LEU 12 3.016 -4.414 0.974 105 HD13 LEU 12 HD13 LEU 12 1.487 -3.792 0.351 106 HD21 LEU 12 HD21 LEU 12 3.217 -7.177 0.624 107 HD22 LEU 12 HD22 LEU 12 1.491 -7.539 0.602 108 HD23 LEU 12 HD23 LEU 12 2.114 -6.280 1.668 109 H VAL 13 H VAL 13 -2.310 -6.487 -1.615 110 HA VAL 13 HA VAL 13 -3.007 -8.342 0.551 111 HB VAL 13 HB VAL 13 -4.715 -6.145 -0.621 112 HG11 VAL 13 HG11 VAL 13 -5.907 -7.979 0.531 113 HG12 VAL 13 HG12 VAL 13 -6.074 -6.426 1.350 114 HG13 VAL 13 HG13 VAL 13 -4.965 -7.641 1.984 115 HG21 VAL 13 HG21 VAL 13 -2.812 -5.077 0.330 116 HG22 VAL 13 HG22 VAL 13 -2.858 -6.122 1.750 117 HG23 VAL 13 HG23 VAL 13 -4.127 -4.924 1.495 118 H LYS 14 H LYS 14 -2.664 -10.004 -1.258 119 HA LYS 14 HA LYS 14 -4.580 -10.233 -3.333 120 HB2 LYS 14 HB3 LYS 14 -3.740 -12.524 -3.584 121 HB3 LYS 14 HB2 LYS 14 -2.422 -11.370 -3.441 122 HG2 LYS 14 HG3 LYS 14 -2.516 -12.001 -0.914 123 HG3 LYS 14 HG2 LYS 14 -3.345 -13.442 -1.507 124 HD2 LYS 14 HD3 LYS 14 -1.482 -14.076 -2.833 125 HD3 LYS 14 HD2 LYS 14 -0.701 -12.511 -2.604 126 HE2 LYS 14 HE3 LYS 14 -1.316 -13.997 -0.137 127 HE3 LYS 14 HE2 LYS 14 -0.103 -14.734 -1.184 128 HZ1 LYS 14 HZ1 LYS 14 1.260 -13.370 -0.051 129 HZ2 LYS 14 HZ2 LYS 14 0.031 -12.285 0.370 130 HZ3 LYS 14 HZ3 LYS 14 0.733 -12.214 -1.166 131 H ARG 15 H ARG 15 -6.687 -10.271 -2.807 132 HA ARG 15 HA ARG 15 -7.669 -12.558 -1.321 133 HB2 ARG 15 HB3 ARG 15 -8.161 -9.716 -0.432 134 HB3 ARG 15 HB2 ARG 15 -9.167 -11.067 0.074 135 HG2 ARG 15 HG3 ARG 15 -6.200 -10.905 0.546 136 HG3 ARG 15 HG2 ARG 15 -7.425 -10.414 1.718 137 HD2 ARG 15 HD3 ARG 15 -7.206 -13.172 0.518 138 HD3 ARG 15 HD2 ARG 15 -6.549 -12.709 2.087 139 HE ARG 15 HE ARG 15 -9.149 -12.009 2.287 140 HH11 ARG 15 HH11 ARG 15 -7.549 -14.962 1.335 141 HH12 ARG 15 HH12 ARG 15 -8.826 -15.984 1.903 142 HH21 ARG 15 HH22 ARG 15 -10.830 -13.352 3.035 143 HH22 ARG 15 HH21 ARG 15 -10.689 -15.071 2.867 144 H ARG 16 H ARG 16 -9.991 -12.854 -1.553 145 HA ARG 16 HA ARG 16 -10.921 -11.784 -4.113 146 HB2 ARG 16 HB3 ARG 16 -10.834 -14.305 -3.482 147 HB3 ARG 16 HB2 ARG 16 -12.300 -13.961 -2.574 148 HG2 ARG 16 HG3 ARG 16 -12.751 -14.853 -4.819 149 HG3 ARG 16 HG2 ARG 16 -13.427 -13.240 -4.579 150 HD2 ARG 16 HD3 ARG 16 -12.114 -12.325 -6.154 151 HD3 ARG 16 HD2 ARG 16 -10.704 -13.261 -5.661 152 HE ARG 16 HE ARG 16 -12.581 -13.912 -7.739 153 HH11 ARG 16 HH11 ARG 16 -10.228 -15.194 -5.502 154 HH12 ARG 16 HH12 ARG 16 -9.914 -16.609 -6.450 155 HH21 ARG 16 HH22 ARG 16 -12.168 -15.773 -8.987 156 HH22 ARG 16 HH21 ARG 16 -11.013 -16.937 -8.429 157 H VAL 17 H VAL 17 -11.000 -10.064 -1.858 158 HA VAL 17 HA VAL 17 -13.905 -9.658 -1.665 159 HB VAL 17 HB VAL 17 -13.557 -8.802 0.674 160 HG11 VAL 17 HG11 VAL 17 -13.984 -10.861 1.611 161 HG12 VAL 17 HG12 VAL 17 -12.793 -11.686 0.606 162 HG13 VAL 17 HG13 VAL 17 -14.332 -11.177 -0.088 163 HG21 VAL 17 HG21 VAL 17 -11.583 -8.946 1.767 164 HG22 VAL 17 HG22 VAL 17 -10.926 -8.887 0.132 165 HG23 VAL 17 HG23 VAL 17 -11.115 -10.437 0.951 166 H LEU 18 H LEU 18 -14.438 -7.400 -0.938 167 HA LEU 18 HA LEU 18 -12.429 -5.480 -1.913 168 HB2 LEU 18 HB3 LEU 18 -14.475 -4.120 -2.665 169 HB3 LEU 18 HB2 LEU 18 -13.965 -5.475 -3.651 170 HG LEU 18 HG LEU 18 -16.441 -5.254 -3.348 171 HD11 LEU 18 HD11 LEU 18 -14.842 -7.522 -3.409 172 HD12 LEU 18 HD12 LEU 18 -16.563 -7.427 -3.779 173 HD13 LEU 18 HD13 LEU 18 -16.034 -7.851 -2.151 174 HD21 LEU 18 HD21 LEU 18 -17.492 -5.639 -1.315 175 HD22 LEU 18 HD22 LEU 18 -16.128 -4.615 -0.869 176 HD23 LEU 18 HD23 LEU 18 -16.053 -6.355 -0.591 177 H ALA 19 H ALA 19 -13.037 -6.334 0.814 178 HA ALA 19 HA ALA 19 -14.318 -3.967 1.963 179 HB1 ALA 19 HB1 ALA 19 -15.063 -6.140 2.786 180 HB2 ALA 19 HB2 ALA 19 -14.295 -5.207 4.071 181 HB3 ALA 19 HB3 ALA 19 -13.416 -6.521 3.290 182 H THR 20 H THR 20 -13.296 -2.879 3.787 183 HA THR 20 HA THR 20 -10.368 -2.805 3.491 184 HB THR 20 HB THR 20 -10.512 -0.475 4.314 185 HG1 THR 20 HG1 THR 20 -12.603 0.466 4.426 186 HG21 THR 20 HG21 THR 20 -10.516 -0.693 1.941 187 HG22 THR 20 HG22 THR 20 -11.701 0.535 2.387 188 HG23 THR 20 HG23 THR 20 -12.237 -1.082 1.928 189 H ASP 21 H ASP 21 -9.669 -4.189 5.045 190 HA ASP 21 HA ASP 21 -10.720 -3.901 7.764 191 HB2 ASP 21 HB3 ASP 21 -9.152 -6.041 6.356 192 HB3 ASP 21 HB2 ASP 21 -9.186 -5.973 8.115 193 H MET 22 H MET 22 -7.884 -3.339 5.841 194 HA MET 22 HA MET 22 -5.883 -3.205 7.740 195 HB2 MET 22 HB3 MET 22 -6.163 -2.521 5.054 196 HB3 MET 22 HB2 MET 22 -5.684 -1.021 5.834 197 HG2 MET 22 HG3 MET 22 -3.593 -1.716 6.112 198 HG3 MET 22 HG2 MET 22 -4.110 -3.279 6.741 199 HE1 MET 22 HE1 MET 22 -4.632 -5.314 5.400 200 HE2 MET 22 HE2 MET 22 -2.875 -5.255 5.535 201 HE3 MET 22 HE3 MET 22 -3.626 -5.698 4.002 202 H CYS 23 H CYS 23 -8.014 -0.552 6.676 203 HA CYS 23 HA CYS 23 -7.047 1.417 8.389 204 HB2 CYS 23 HB3 CYS 23 -8.547 1.928 6.540 205 HB3 CYS 23 HB2 CYS 23 -9.849 1.035 7.317 206 HG CYS 23 HG CYS 23 -10.441 3.056 8.550 207 H ASN 24 H ASN 24 -9.023 -1.331 9.067 208 HA ASN 24 HA ASN 24 -9.978 -0.274 11.596 209 HB2 ASN 24 HB3 ASN 24 -11.046 -2.073 9.867 210 HB3 ASN 24 HB2 ASN 24 -10.289 -3.157 11.032 211 HD21 ASN 24 HD22 ASN 24 -13.014 -3.084 10.673 212 HD22 ASN 24 HD21 ASN 24 -13.760 -2.439 12.092 213 H VAL 25 H VAL 25 -8.016 -3.074 10.577 214 HA VAL 25 HA VAL 25 -7.177 -3.854 13.117 215 HB VAL 25 HB VAL 25 -5.332 -5.026 12.004 216 HG11 VAL 25 HG11 VAL 25 -7.957 -5.567 11.776 217 HG12 VAL 25 HG12 VAL 25 -6.688 -6.602 11.121 218 HG13 VAL 25 HG13 VAL 25 -7.519 -5.453 10.071 219 HG21 VAL 25 HG21 VAL 25 -5.310 -4.825 9.436 220 HG22 VAL 25 HG22 VAL 25 -4.512 -3.569 10.382 221 HG23 VAL 25 HG23 VAL 25 -6.111 -3.276 9.699 222 H GLY 26 H GLY 26 -6.106 -1.234 11.107 223 HA2 GLY 26 HA3 GLY 26 -4.896 0.619 11.928 224 HA3 GLY 26 HA2 GLY 26 -4.297 -0.383 13.242 225 H ALA 27 H ALA 27 -4.207 -0.538 9.681 226 HA ALA 27 HA ALA 27 -1.300 -0.993 9.883 227 HB1 ALA 27 HB1 ALA 27 -1.840 -2.958 8.930 228 HB2 ALA 27 HB2 ALA 27 -1.922 -2.005 7.448 229 HB3 ALA 27 HB3 ALA 27 -3.395 -2.366 8.348 230 H VAL 28 H VAL 28 -3.888 0.565 8.057 231 HA VAL 28 HA VAL 28 -2.319 1.753 6.070 232 HB VAL 28 HB VAL 28 -4.193 3.319 5.789 233 HG11 VAL 28 HG11 VAL 28 -5.941 1.160 5.963 234 HG12 VAL 28 HG12 VAL 28 -4.349 0.445 5.710 235 HG13 VAL 28 HG13 VAL 28 -4.973 1.636 4.568 236 HG21 VAL 28 HG21 VAL 28 -4.930 3.840 7.938 237 HG22 VAL 28 HG22 VAL 28 -5.066 2.143 8.399 238 HG23 VAL 28 HG23 VAL 28 -6.230 2.848 7.277 239 H TRP 29 H TRP 29 -0.691 3.117 6.355 240 HA TRP 29 HA TRP 29 -1.032 5.388 8.162 241 HB2 TRP 29 HB3 TRP 29 1.118 3.311 8.351 242 HB3 TRP 29 HB2 TRP 29 1.488 4.977 8.781 243 HD1 TRP 29 HD1 TRP 29 -1.261 2.386 9.716 244 HE1 TRP 29 HE1 TRP 29 -1.739 2.625 12.234 245 HE3 TRP 29 HE3 TRP 29 1.922 6.240 10.784 246 HZ2 TRP 29 HZ2 TRP 29 -0.881 4.236 14.387 247 HZ3 TRP 29 HZ3 TRP 29 2.034 7.072 13.097 248 HH2 TRP 29 HH2 TRP 29 0.660 6.089 14.861 249 H LEU 30 H LEU 30 -0.902 7.033 6.786 250 HA LEU 30 HA LEU 30 0.971 6.918 4.547 251 HB2 LEU 30 HB3 LEU 30 -1.355 7.593 4.120 252 HB3 LEU 30 HB2 LEU 30 -1.157 8.953 5.209 253 HG LEU 30 HG LEU 30 0.740 8.754 2.931 254 HD11 LEU 30 HD11 LEU 30 -1.806 10.108 2.325 255 HD12 LEU 30 HD12 LEU 30 -1.843 8.344 2.306 256 HD13 LEU 30 HD13 LEU 30 -0.711 9.215 1.270 257 HD21 LEU 30 HD21 LEU 30 -0.688 11.238 3.609 258 HD22 LEU 30 HD22 LEU 30 1.026 10.957 3.301 259 HD23 LEU 30 HD23 LEU 30 0.340 10.574 4.880 260 H ASN 31 H ASN 31 2.902 7.835 4.657 261 HA ASN 31 HA ASN 31 4.672 9.069 5.374 262 HB2 ASN 31 HB3 ASN 31 2.655 10.821 4.676 263 HB3 ASN 31 HB2 ASN 31 3.129 11.388 6.274 264 HD21 ASN 31 HD22 ASN 31 5.807 10.834 6.279 265 HD22 ASN 31 HD21 ASN 31 6.603 11.800 5.088 266 H GLY 32 H GLY 32 3.852 7.296 7.271 267 HA2 GLY 32 HA3 GLY 32 4.143 6.820 9.498 268 HA3 GLY 32 HA2 GLY 32 4.960 8.370 9.632 269 H SER 33 H SER 33 1.678 8.183 8.495 270 HA SER 33 HA SER 33 0.686 9.024 11.127 271 HB2 SER 33 HB3 SER 33 1.109 11.028 9.675 272 HB3 SER 33 HB2 SER 33 -0.082 10.394 8.539 273 HG SER 33 HG SER 33 -0.827 11.965 10.184 274 H CYS 34 H CYS 34 -1.383 8.384 11.620 275 HA CYS 34 HA CYS 34 -2.390 6.088 10.391 276 HB2 CYS 34 HB3 CYS 34 -3.248 7.917 12.521 277 HB3 CYS 34 HB2 CYS 34 -4.576 7.112 11.694 278 HG CYS 34 HG CYS 34 -3.272 5.842 13.850 279 H ALA 35 H ALA 35 -3.483 5.804 8.572 280 HA ALA 35 HA ALA 35 -4.857 8.118 7.381 281 HB1 ALA 35 HB1 ALA 35 -2.925 6.545 6.271 282 HB2 ALA 35 HB2 ALA 35 -4.088 7.512 5.365 283 HB3 ALA 35 HB3 ALA 35 -4.400 5.800 5.652 284 H LYS 36 H LYS 36 -6.479 6.931 5.573 285 HA LYS 36 HA LYS 36 -8.236 5.195 7.174 286 HB2 LYS 36 HB3 LYS 36 -8.821 7.784 6.639 287 HB3 LYS 36 HB2 LYS 36 -9.523 7.009 5.225 288 HG2 LYS 36 HG3 LYS 36 -10.458 5.418 7.213 289 HG3 LYS 36 HG2 LYS 36 -10.394 6.984 8.022 290 HD2 LYS 36 HD3 LYS 36 -12.219 7.666 6.948 291 HD3 LYS 36 HD2 LYS 36 -11.487 7.295 5.386 292 HE2 LYS 36 HE3 LYS 36 -13.160 5.799 5.232 293 HE3 LYS 36 HE2 LYS 36 -12.114 4.809 6.250 294 HZ1 LYS 36 HZ1 LYS 36 -14.199 4.779 7.277 295 HZ2 LYS 36 HZ2 LYS 36 -14.445 6.440 7.065 296 HZ3 LYS 36 HZ3 LYS 36 -13.304 5.889 8.185 297 H ALA 37 H ALA 37 -10.200 4.718 5.323 298 HA ALA 37 HA ALA 37 -8.754 3.072 3.387 299 HB1 ALA 37 HB1 ALA 37 -10.434 1.579 3.530 300 HB2 ALA 37 HB2 ALA 37 -11.681 2.826 3.564 301 HB3 ALA 37 HB3 ALA 37 -10.792 2.428 5.034 302 H SER 38 H SER 38 -9.164 6.003 3.070 303 HA SER 38 HA SER 38 -9.921 5.963 0.314 304 HB2 SER 38 HB3 SER 38 -11.848 6.896 2.359 305 HB3 SER 38 HB2 SER 38 -11.643 7.946 0.958 306 HG SER 38 HG SER 38 -12.713 5.386 1.128 307 H LYS 39 H LYS 39 -7.661 6.721 1.999 308 HA LYS 39 HA LYS 39 -7.558 9.622 1.770 309 HB2 LYS 39 HB3 LYS 39 -5.790 7.554 3.038 310 HB3 LYS 39 HB2 LYS 39 -5.188 9.178 2.742 311 HG2 LYS 39 HG3 LYS 39 -7.667 8.561 4.331 312 HG3 LYS 39 HG2 LYS 39 -6.068 8.813 5.034 313 HD2 LYS 39 HD3 LYS 39 -6.117 11.044 3.708 314 HD3 LYS 39 HD2 LYS 39 -7.861 10.772 3.649 315 HE2 LYS 39 HE3 LYS 39 -7.065 12.196 5.558 316 HE3 LYS 39 HE2 LYS 39 -8.028 10.792 6.019 317 HZ1 LYS 39 HZ1 LYS 39 -5.713 11.408 7.153 318 HZ2 LYS 39 HZ2 LYS 39 -5.150 10.394 5.921 319 HZ3 LYS 39 HZ3 LYS 39 -6.286 9.821 7.036 320 H GLU 40 H GLU 40 -6.844 10.571 -0.011 321 HA GLU 40 HA GLU 40 -5.697 9.133 -2.168 322 HB2 GLU 40 HB3 GLU 40 -6.128 12.053 -1.603 323 HB3 GLU 40 HB2 GLU 40 -5.249 11.531 -3.034 324 HG2 GLU 40 HG3 GLU 40 -7.105 10.877 -4.090 325 HG3 GLU 40 HG2 GLU 40 -7.805 10.169 -2.635 326 H VAL 41 H VAL 41 -3.699 8.356 -2.191 327 HA VAL 41 HA VAL 41 -1.608 9.541 -0.579 328 HB VAL 41 HB VAL 41 -0.200 7.693 -1.454 329 HG11 VAL 41 HG11 VAL 41 -1.396 7.334 0.592 330 HG12 VAL 41 HG12 VAL 41 -1.483 5.857 -0.367 331 HG13 VAL 41 HG13 VAL 41 -2.874 6.939 -0.285 332 HG21 VAL 41 HG21 VAL 41 -1.450 7.568 -3.650 333 HG22 VAL 41 HG22 VAL 41 -2.692 6.662 -2.787 334 HG23 VAL 41 HG23 VAL 41 -1.051 6.025 -2.896 335 H LYS 42 H LYS 42 0.665 9.465 -1.819 336 HA LYS 42 HA LYS 42 0.435 10.691 -4.458 337 HB2 LYS 42 HB3 LYS 42 1.431 12.055 -1.990 338 HB3 LYS 42 HB2 LYS 42 2.182 12.432 -3.535 339 HG2 LYS 42 HG3 LYS 42 -0.782 12.602 -3.078 340 HG3 LYS 42 HG2 LYS 42 0.316 13.954 -2.802 341 HD2 LYS 42 HD3 LYS 42 0.938 14.034 -5.087 342 HD3 LYS 42 HD2 LYS 42 0.177 12.476 -5.421 343 HE2 LYS 42 HE3 LYS 42 -1.840 13.402 -5.715 344 HE3 LYS 42 HE2 LYS 42 -1.664 14.445 -4.305 345 HZ1 LYS 42 HZ1 LYS 42 -0.901 16.143 -5.545 346 HZ2 LYS 42 HZ2 LYS 42 -1.721 15.354 -6.797 347 HZ3 LYS 42 HZ3 LYS 42 -0.051 15.148 -6.617 348 H ALA 43 H ALA 43 2.724 11.169 -5.328 349 HA ALA 43 HA ALA 43 4.212 8.724 -5.156 350 HB1 ALA 43 HB1 ALA 43 4.362 11.199 -6.799 351 HB2 ALA 43 HB2 ALA 43 4.267 9.510 -7.302 352 HB3 ALA 43 HB3 ALA 43 5.790 10.168 -6.701 353 H GLY 44 H GLY 44 6.531 8.623 -4.741 354 HA2 GLY 44 HA3 GLY 44 8.334 8.918 -3.354 355 HA3 GLY 44 HA2 GLY 44 8.033 10.640 -3.534 356 H ASP 45 H ASP 45 5.636 8.514 -2.167 357 HA ASP 45 HA ASP 45 6.031 9.840 0.428 358 HB2 ASP 45 HB3 ASP 45 3.775 9.799 -1.027 359 HB3 ASP 45 HB2 ASP 45 3.543 8.310 -0.117 360 H THR 46 H THR 46 5.083 8.384 2.285 361 HA THR 46 HA THR 46 6.455 5.795 2.068 362 HB THR 46 HB THR 46 5.736 7.405 4.525 363 HG1 THR 46 HG1 THR 46 8.190 6.989 3.175 364 HG21 THR 46 HG21 THR 46 7.692 5.685 5.286 365 HG22 THR 46 HG22 THR 46 6.723 4.677 4.210 366 HG23 THR 46 HG23 THR 46 5.970 5.466 5.595 367 H ILE 47 H ILE 47 5.480 3.910 2.832 368 HA ILE 47 HA ILE 47 2.618 4.081 3.480 369 HB ILE 47 HB ILE 47 3.798 2.064 1.567 370 HG12 ILE 47 HG13 ILE 47 3.705 4.356 0.619 371 HG13 ILE 47 HG12 ILE 47 2.613 3.240 -0.196 372 HG21 ILE 47 HG21 ILE 47 1.073 2.490 2.720 373 HG22 ILE 47 HG22 ILE 47 1.993 0.996 2.543 374 HG23 ILE 47 HG23 ILE 47 1.258 1.752 1.128 375 HD11 ILE 47 HD11 ILE 47 1.419 4.728 2.028 376 HD12 ILE 47 HD12 ILE 47 0.792 4.386 0.416 377 HD13 ILE 47 HD13 ILE 47 1.933 5.709 0.656 378 H SER 48 H SER 48 2.758 3.505 5.588 379 HA SER 48 HA SER 48 4.445 1.312 6.430 380 HB2 SER 48 HB3 SER 48 3.197 3.559 7.689 381 HB3 SER 48 HB2 SER 48 2.690 2.092 8.525 382 HG SER 48 HG SER 48 5.396 2.614 7.892 383 H LEU 49 H LEU 49 3.663 -0.557 7.547 384 HA LEU 49 HA LEU 49 0.850 -1.237 7.197 385 HB2 LEU 49 HB3 LEU 49 3.120 -2.501 5.754 386 HB3 LEU 49 HB2 LEU 49 1.868 -3.565 6.365 387 HG LEU 49 HG LEU 49 0.347 -1.700 5.119 388 HD11 LEU 49 HD11 LEU 49 2.652 -2.033 3.239 389 HD12 LEU 49 HD12 LEU 49 2.577 -0.667 4.352 390 HD13 LEU 49 HD13 LEU 49 1.301 -0.903 3.159 391 HD21 LEU 49 HD21 LEU 49 0.086 -4.069 4.827 392 HD22 LEU 49 HD22 LEU 49 1.609 -4.173 3.944 393 HD23 LEU 49 HD23 LEU 49 0.236 -3.319 3.239 394 H HIS 50 H HIS 50 0.096 -2.292 8.920 395 HA HIS 50 HA HIS 50 1.979 -3.120 10.973 396 HB2 HIS 50 HB3 HIS 50 -0.198 -1.756 11.337 397 HB3 HIS 50 HB2 HIS 50 -1.011 -3.312 11.214 398 HD1 HIS 50 HD1 HIS 50 0.695 -5.130 12.858 399 HD2 HIS 50 HD2 HIS 50 -0.087 -1.206 13.976 400 HE1 HIS 50 HE1 HIS 50 1.059 -5.054 15.345 401 HE2 HIS 50 HE2 HIS 50 0.666 -2.649 15.985 402 H TYR 51 H TYR 51 2.563 -5.147 11.347 403 HA TYR 51 HA TYR 51 0.841 -7.329 10.401 404 HB2 TYR 51 HB3 TYR 51 3.705 -6.815 9.729 405 HB3 TYR 51 HB2 TYR 51 3.178 -8.483 9.922 406 HD1 TYR 51 HD1 TYR 51 2.052 -5.360 8.202 407 HD2 TYR 51 HD2 TYR 51 2.478 -9.588 8.023 408 HE1 TYR 51 HE1 TYR 51 1.185 -5.343 5.904 409 HE2 TYR 51 HE2 TYR 51 1.614 -9.583 5.721 410 HH TYR 51 HH TYR 51 1.575 -7.247 3.776 411 H LEU 52 H LEU 52 2.141 -9.498 11.220 412 HA LEU 52 HA LEU 52 2.218 -9.146 14.123 413 HB2 LEU 52 HB3 LEU 52 2.301 -11.817 13.830 414 HB3 LEU 52 HB2 LEU 52 0.814 -10.894 13.909 415 HG LEU 52 HG LEU 52 2.096 -11.495 11.262 416 HD11 LEU 52 HD11 LEU 52 1.141 -13.580 11.103 417 HD12 LEU 52 HD12 LEU 52 -0.029 -13.261 12.385 418 HD13 LEU 52 HD13 LEU 52 1.661 -13.566 12.789 419 HD21 LEU 52 HD21 LEU 52 -0.644 -11.583 11.040 420 HD22 LEU 52 HD22 LEU 52 0.379 -10.202 10.651 421 HD23 LEU 52 HD23 LEU 52 -0.384 -10.314 12.237 422 H LYS 53 H LYS 53 4.224 -10.014 11.428 423 HA LYS 53 HA LYS 53 6.337 -11.070 13.111 424 HB2 LYS 53 HB3 LYS 53 7.556 -11.430 11.038 425 HB3 LYS 53 HB2 LYS 53 5.919 -12.054 10.892 426 HG2 LYS 53 HG3 LYS 53 5.404 -10.652 9.229 427 HG3 LYS 53 HG2 LYS 53 6.206 -9.285 10.006 428 HD2 LYS 53 HD3 LYS 53 7.294 -9.845 7.896 429 HD3 LYS 53 HD2 LYS 53 8.378 -10.137 9.258 430 HE2 LYS 53 HE3 LYS 53 8.708 -12.139 8.304 431 HE3 LYS 53 HE2 LYS 53 7.145 -12.553 9.006 432 HZ1 LYS 53 HZ1 LYS 53 6.383 -11.410 6.726 433 HZ2 LYS 53 HZ2 LYS 53 6.663 -13.072 6.888 434 HZ3 LYS 53 HZ3 LYS 53 7.862 -12.071 6.237 435 H GLY 54 H GLY 54 5.445 -8.076 11.595 436 HA2 GLY 54 HA3 GLY 54 6.996 -6.409 13.087 437 HA3 GLY 54 HA2 GLY 54 8.059 -6.887 11.772 438 H ILE 55 H ILE 55 7.013 -4.245 12.400 439 HA ILE 55 HA ILE 55 4.958 -3.596 10.525 440 HB ILE 55 HB ILE 55 6.936 -1.660 11.719 441 HG12 ILE 55 HG13 ILE 55 6.014 -2.971 13.547 442 HG13 ILE 55 HG12 ILE 55 5.290 -1.365 13.556 443 HG21 ILE 55 HG21 ILE 55 4.643 -0.321 11.627 444 HG22 ILE 55 HG22 ILE 55 4.336 -1.458 10.313 445 HG23 ILE 55 HG23 ILE 55 5.745 -0.399 10.253 446 HD11 ILE 55 HD11 ILE 55 3.310 -2.303 12.414 447 HD12 ILE 55 HD12 ILE 55 3.603 -3.005 14.005 448 HD13 ILE 55 HD13 ILE 55 4.033 -3.906 12.552 449 H GLU 56 H GLU 56 5.102 -3.025 8.438 450 HA GLU 56 HA GLU 56 7.799 -2.823 7.273 451 HB2 GLU 56 HB3 GLU 56 5.210 -3.632 5.937 452 HB3 GLU 56 HB2 GLU 56 6.784 -3.550 5.158 453 HG2 GLU 56 HG3 GLU 56 7.469 -5.215 7.058 454 HG3 GLU 56 HG2 GLU 56 5.736 -5.531 7.113 455 H GLU 57 H GLU 57 8.402 -0.940 6.457 456 HA GLU 57 HA GLU 57 6.326 1.069 5.883 457 HB2 GLU 57 HB3 GLU 57 8.072 1.449 7.759 458 HB3 GLU 57 HB2 GLU 57 9.202 1.733 6.442 459 HG2 GLU 57 HG3 GLU 57 8.219 3.697 5.833 460 HG3 GLU 57 HG2 GLU 57 6.629 3.213 6.423 461 H TYR 58 H TYR 58 5.977 0.748 3.729 462 HA TYR 58 HA TYR 58 8.188 0.443 1.894 463 HB2 TYR 58 HB3 TYR 58 5.214 0.710 1.412 464 HB3 TYR 58 HB2 TYR 58 6.405 0.401 0.154 465 HD1 TYR 58 HD1 TYR 58 5.108 -1.001 3.354 466 HD2 TYR 58 HD2 TYR 58 6.975 -1.789 -0.386 467 HE1 TYR 58 HE1 TYR 58 4.912 -3.415 3.773 468 HE2 TYR 58 HE2 TYR 58 6.785 -4.207 0.023 469 HH TYR 58 HH TYR 58 5.394 -5.744 1.366 470 H THR 59 H THR 59 7.807 1.837 -0.254 471 HA THR 59 HA THR 59 7.309 4.634 0.424 472 HB THR 59 HB THR 59 9.908 3.645 -0.767 473 HG1 THR 59 HG1 THR 59 9.650 3.459 1.547 474 HG21 THR 59 HG21 THR 59 9.181 6.473 -0.055 475 HG22 THR 59 HG22 THR 59 9.149 5.827 -1.696 476 HG23 THR 59 HG23 THR 59 10.670 5.895 -0.805 477 H ILE 60 H ILE 60 6.075 5.500 -1.101 478 HA ILE 60 HA ILE 60 5.603 4.144 -3.580 479 HB ILE 60 HB ILE 60 4.676 6.923 -2.872 480 HG12 ILE 60 HG13 ILE 60 3.380 4.275 -2.181 481 HG13 ILE 60 HG12 ILE 60 4.100 5.400 -1.034 482 HG21 ILE 60 HG21 ILE 60 2.683 5.681 -4.262 483 HG22 ILE 60 HG22 ILE 60 4.129 5.007 -5.011 484 HG23 ILE 60 HG23 ILE 60 3.894 6.754 -4.962 485 HD11 ILE 60 HD11 ILE 60 2.012 6.534 -2.757 486 HD12 ILE 60 HD12 ILE 60 2.304 6.740 -1.029 487 HD13 ILE 60 HD13 ILE 60 1.476 5.298 -1.618 488 H LEU 61 H LEU 61 6.631 4.411 -5.445 489 HA LEU 61 HA LEU 61 8.530 6.624 -5.695 490 HB2 LEU 61 HB3 LEU 61 8.241 4.024 -7.192 491 HB3 LEU 61 HB2 LEU 61 9.376 5.278 -7.656 492 HG LEU 61 HG LEU 61 9.382 3.843 -4.998 493 HD11 LEU 61 HD11 LEU 61 11.241 3.527 -7.350 494 HD12 LEU 61 HD12 LEU 61 9.977 2.384 -6.895 495 HD13 LEU 61 HD13 LEU 61 11.334 2.677 -5.808 496 HD21 LEU 61 HD21 LEU 61 11.341 5.782 -6.223 497 HD22 LEU 61 HD22 LEU 61 11.563 4.916 -4.703 498 HD23 LEU 61 HD23 LEU 61 10.271 6.106 -4.859 499 H GLN 62 H GLN 62 5.480 5.600 -6.839 500 HA GLN 62 HA GLN 62 5.004 7.940 -8.292 501 HB2 GLN 62 HB3 GLN 62 6.324 5.824 -9.786 502 HB3 GLN 62 HB2 GLN 62 4.775 6.254 -10.498 503 HG2 GLN 62 HG3 GLN 62 5.807 8.706 -10.050 504 HG3 GLN 62 HG2 GLN 62 7.278 7.780 -10.342 505 HE21 GLN 62 HE22 GLN 62 4.945 9.579 -11.778 506 HE22 GLN 62 HE21 GLN 62 5.074 8.990 -13.397 507 H ILE 63 H ILE 63 2.878 8.016 -9.209 508 HA ILE 63 HA ILE 63 1.152 5.810 -8.287 509 HB ILE 63 HB ILE 63 0.331 8.697 -8.591 510 HG12 ILE 63 HG13 ILE 63 2.049 8.428 -6.826 511 HG13 ILE 63 HG12 ILE 63 0.480 8.881 -6.169 512 HG21 ILE 63 HG21 ILE 63 -1.600 7.980 -7.226 513 HG22 ILE 63 HG22 ILE 63 -1.004 6.322 -7.301 514 HG23 ILE 63 HG23 ILE 63 -1.508 7.146 -8.777 515 HD11 ILE 63 HD11 ILE 63 1.842 6.213 -6.065 516 HD12 ILE 63 HD12 ILE 63 0.124 6.411 -5.723 517 HD13 ILE 63 HD13 ILE 63 1.322 7.240 -4.729 518 HA PRO 64 HA PRO 64 0.653 5.853 -12.856 519 HB2 PRO 64 HB2 PRO 64 0.004 3.219 -13.036 520 HB3 PRO 64 HB3 PRO 64 1.672 3.801 -12.989 521 HG2 PRO 64 HG3 PRO 64 -0.005 2.681 -10.777 522 HG3 PRO 64 HG2 PRO 64 1.693 2.354 -11.168 523 HD2 PRO 64 HD3 PRO 64 0.967 4.047 -9.192 524 HD3 PRO 64 HD2 PRO 64 2.430 4.296 -10.165 525 H ALA 65 H ALA 65 -1.420 5.231 -10.217 526 HA ALA 65 HA ALA 65 -3.676 5.318 -9.949 527 HB1 ALA 65 HB1 ALA 65 -4.734 6.951 -11.095 528 HB2 ALA 65 HB2 ALA 65 -4.219 6.333 -12.664 529 HB3 ALA 65 HB3 ALA 65 -3.110 7.295 -11.688 530 H LEU 66 H LEU 66 -2.960 2.859 -10.432 531 HA LEU 66 HA LEU 66 -4.681 1.854 -12.597 532 HB2 LEU 66 HB3 LEU 66 -2.602 0.245 -11.142 533 HB3 LEU 66 HB2 LEU 66 -3.352 -0.094 -12.690 534 HG LEU 66 HG LEU 66 -1.349 2.089 -12.114 535 HD11 LEU 66 HD11 LEU 66 -0.128 0.693 -13.938 536 HD12 LEU 66 HD12 LEU 66 -1.203 -0.599 -13.406 537 HD13 LEU 66 HD13 LEU 66 -0.099 0.158 -12.258 538 HD21 LEU 66 HD21 LEU 66 -1.424 2.490 -14.548 539 HD22 LEU 66 HD22 LEU 66 -2.950 2.869 -13.747 540 HD23 LEU 66 HD23 LEU 66 -2.785 1.373 -14.667 541 H LYS 67 H LYS 67 -5.666 -0.339 -12.105 542 HA LYS 67 HA LYS 67 -6.858 -0.229 -9.422 543 HB2 LYS 67 HB3 LYS 67 -8.305 -0.076 -11.521 544 HB3 LYS 67 HB2 LYS 67 -7.923 -1.772 -11.782 545 HG2 LYS 67 HG3 LYS 67 -8.813 -2.147 -9.415 546 HG3 LYS 67 HG2 LYS 67 -9.497 -0.527 -9.558 547 HD2 LYS 67 HD3 LYS 67 -11.266 -1.617 -10.429 548 HD3 LYS 67 HD2 LYS 67 -10.296 -1.622 -11.903 549 HE2 LYS 67 HE3 LYS 67 -11.147 -3.842 -11.496 550 HE3 LYS 67 HE2 LYS 67 -9.400 -3.833 -11.263 551 HZ1 LYS 67 HZ1 LYS 67 -9.633 -3.963 -8.963 552 HZ2 LYS 67 HZ2 LYS 67 -10.811 -5.031 -9.542 553 HZ3 LYS 67 HZ3 LYS 67 -11.259 -3.496 -8.991 554 H ASN 68 H ASN 68 -5.059 -2.242 -11.621 555 HA ASN 68 HA ASN 68 -4.517 -4.108 -9.465 556 HB2 ASN 68 HB3 ASN 68 -6.558 -4.762 -11.149 557 HB3 ASN 68 HB2 ASN 68 -5.189 -5.498 -11.978 558 HD21 ASN 68 HD22 ASN 68 -6.118 -7.539 -11.535 559 HD22 ASN 68 HD21 ASN 68 -5.963 -8.262 -9.974 560 H VAL 69 H VAL 69 -2.375 -4.166 -9.427 561 HA VAL 69 HA VAL 69 -0.926 -4.264 -11.993 562 HB VAL 69 HB VAL 69 0.141 -3.139 -9.403 563 HG11 VAL 69 HG11 VAL 69 1.767 -4.062 -11.077 564 HG12 VAL 69 HG12 VAL 69 1.984 -2.356 -10.686 565 HG13 VAL 69 HG13 VAL 69 1.209 -2.823 -12.200 566 HG21 VAL 69 HG21 VAL 69 -1.613 -1.683 -10.090 567 HG22 VAL 69 HG22 VAL 69 -1.089 -1.747 -11.773 568 HG23 VAL 69 HG23 VAL 69 -0.093 -0.927 -10.570 569 HA PRO 70 HA PRO 70 0.523 -8.241 -10.637 570 HB2 PRO 70 HB2 PRO 70 2.739 -8.420 -12.226 571 HB3 PRO 70 HB3 PRO 70 1.095 -8.704 -12.805 572 HG2 PRO 70 HG3 PRO 70 2.788 -6.248 -13.037 573 HG3 PRO 70 HG2 PRO 70 1.742 -7.006 -14.252 574 HD2 PRO 70 HD3 PRO 70 0.967 -4.834 -12.864 575 HD3 PRO 70 HD2 PRO 70 -0.182 -6.096 -13.348 576 H ARG 71 H ARG 71 2.426 -9.257 -9.665 577 HA ARG 71 HA ARG 71 3.853 -7.359 -7.982 578 HB2 ARG 71 HB3 ARG 71 2.698 -9.390 -7.048 579 HB3 ARG 71 HB2 ARG 71 3.903 -10.377 -7.863 580 HG2 ARG 71 HG3 ARG 71 5.532 -9.857 -6.384 581 HG3 ARG 71 HG2 ARG 71 4.916 -8.227 -6.111 582 HD2 ARG 71 HD3 ARG 71 3.122 -9.107 -4.733 583 HD3 ARG 71 HD2 ARG 71 3.655 -10.756 -5.059 584 HE ARG 71 HE ARG 71 4.768 -8.923 -3.157 585 HH11 ARG 71 HH11 ARG 71 5.466 -11.672 -5.190 586 HH12 ARG 71 HH12 ARG 71 6.781 -12.223 -4.207 587 HH21 ARG 71 HH22 ARG 71 6.498 -9.646 -1.863 588 HH22 ARG 71 HH21 ARG 71 7.366 -11.074 -2.318 589 H LYS 72 H LYS 72 4.791 -7.033 -10.449 590 HA LYS 72 HA LYS 72 7.490 -8.146 -10.267 591 HB2 LYS 72 HB3 LYS 72 6.236 -9.553 -11.872 592 HB3 LYS 72 HB2 LYS 72 5.880 -8.120 -12.826 593 HG2 LYS 72 HG3 LYS 72 8.285 -7.793 -13.205 594 HG3 LYS 72 HG2 LYS 72 8.612 -9.267 -12.291 595 HD2 LYS 72 HD3 LYS 72 7.187 -10.504 -13.929 596 HD3 LYS 72 HD2 LYS 72 7.089 -9.022 -14.882 597 HE2 LYS 72 HE3 LYS 72 9.763 -9.218 -14.529 598 HE3 LYS 72 HE2 LYS 72 9.314 -10.922 -14.547 599 HZ1 LYS 72 HZ1 LYS 72 9.246 -8.965 -16.691 600 HZ2 LYS 72 HZ2 LYS 72 7.937 -10.036 -16.637 601 HZ3 LYS 72 HZ3 LYS 72 9.515 -10.633 -16.756 602 H ASP 73 H ASP 73 5.353 -5.875 -11.965 603 HA ASP 73 HA ASP 73 7.610 -4.098 -12.476 604 HB2 ASP 73 HB3 ASP 73 4.828 -4.340 -13.514 605 HB3 ASP 73 HB2 ASP 73 5.571 -2.743 -13.532 606 H THR 74 H THR 74 4.946 -4.462 -10.318 607 HA THR 74 HA THR 74 4.481 -1.828 -9.540 608 HB THR 74 HB THR 74 3.083 -3.740 -8.856 609 HG1 THR 74 HG1 THR 74 3.216 -1.719 -7.613 610 HG21 THR 74 HG21 THR 74 5.427 -4.431 -7.113 611 HG22 THR 74 HG22 THR 74 4.617 -5.448 -8.305 612 HG23 THR 74 HG23 THR 74 3.787 -5.008 -6.812 613 H HIS 75 H HIS 75 7.217 -3.840 -8.976 614 HA HIS 75 HA HIS 75 8.211 -2.830 -6.589 615 HB2 HIS 75 HB3 HIS 75 9.151 -4.774 -7.823 616 HB3 HIS 75 HB2 HIS 75 9.836 -3.656 -8.998 617 HD1 HIS 75 HD1 HIS 75 12.252 -3.400 -8.589 618 HD2 HIS 75 HD2 HIS 75 10.129 -3.773 -5.037 619 HE1 HIS 75 HE1 HIS 75 13.967 -3.217 -6.759 620 HE2 HIS 75 HE2 HIS 75 12.669 -3.528 -4.622 621 H LEU 76 H LEU 76 7.926 -1.297 -9.636 622 HA LEU 76 HA LEU 76 9.911 0.732 -9.023 623 HB2 LEU 76 HB3 LEU 76 8.242 0.000 -11.368 624 HB3 LEU 76 HB2 LEU 76 8.829 1.652 -11.257 625 HG LEU 76 HG LEU 76 10.781 -0.578 -10.927 626 HD11 LEU 76 HD11 LEU 76 9.608 -1.306 -12.878 627 HD12 LEU 76 HD12 LEU 76 11.125 -0.568 -13.396 628 HD13 LEU 76 HD13 LEU 76 9.612 0.325 -13.552 629 HD21 LEU 76 HD21 LEU 76 12.161 1.122 -12.230 630 HD22 LEU 76 HD22 LEU 76 11.694 1.559 -10.586 631 HD23 LEU 76 HD23 LEU 76 10.826 2.242 -11.961 632 H TYR 77 H TYR 77 6.752 0.197 -8.163 633 HA TYR 77 HA TYR 77 6.125 3.071 -8.071 634 HB2 TYR 77 HB3 TYR 77 4.295 0.668 -7.917 635 HB3 TYR 77 HB2 TYR 77 3.767 2.335 -7.712 636 HD1 TYR 77 HD2 TYR 77 5.082 3.803 -9.793 637 HD2 TYR 77 HD1 TYR 77 3.487 -0.139 -9.922 638 HE1 TYR 77 HE2 TYR 77 4.784 4.011 -12.225 639 HE2 TYR 77 HE1 TYR 77 3.184 0.057 -12.355 640 HH TYR 77 HH TYR 77 4.174 1.390 -14.233 641 H ILE 78 H ILE 78 6.583 0.186 -6.177 642 HA ILE 78 HA ILE 78 6.762 1.768 -3.764 643 HB ILE 78 HB ILE 78 4.367 1.258 -3.824 644 HG12 ILE 78 HG13 ILE 78 5.858 -0.347 -1.734 645 HG13 ILE 78 HG12 ILE 78 5.526 1.380 -1.655 646 HG21 ILE 78 HG21 ILE 78 4.755 -1.630 -3.389 647 HG22 ILE 78 HG22 ILE 78 5.025 -1.052 -5.033 648 HG23 ILE 78 HG23 ILE 78 3.474 -0.769 -4.242 649 HD11 ILE 78 HD11 ILE 78 3.505 1.028 -0.818 650 HD12 ILE 78 HD12 ILE 78 3.975 -0.661 -0.623 651 HD13 ILE 78 HD13 ILE 78 3.112 -0.147 -2.074 652 H ALA 79 H ALA 79 8.174 0.908 -2.325 653 HA ALA 79 HA ALA 79 8.910 -1.904 -2.515 654 HB1 ALA 79 HB1 ALA 79 11.319 -1.368 -2.679 655 HB2 ALA 79 HB2 ALA 79 10.897 0.325 -2.935 656 HB3 ALA 79 HB3 ALA 79 10.408 -0.895 -4.112 657 HA PRO 80 HA PRO 80 9.150 -1.579 1.887 658 HB2 PRO 80 HB2 PRO 80 11.434 -3.464 1.719 659 HB3 PRO 80 HB3 PRO 80 9.912 -3.617 2.601 660 HG2 PRO 80 HG3 PRO 80 10.362 -5.031 0.383 661 HG3 PRO 80 HG2 PRO 80 8.756 -4.370 0.743 662 HD2 PRO 80 HD3 PRO 80 10.826 -3.387 -1.179 663 HD3 PRO 80 HD2 PRO 80 9.059 -3.441 -1.352 664 H LYS 81 H LYS 81 10.010 0.125 2.886 665 HA LYS 81 HA LYS 81 12.911 0.570 2.659 666 HB2 LYS 81 HB3 LYS 81 11.188 2.203 1.439 667 HB3 LYS 81 HB2 LYS 81 11.128 2.921 3.043 668 HG2 LYS 81 HG3 LYS 81 13.254 3.703 2.927 669 HG3 LYS 81 HG2 LYS 81 13.804 2.376 1.901 670 HD2 LYS 81 HD3 LYS 81 12.651 3.357 -0.008 671 HD3 LYS 81 HD2 LYS 81 12.048 4.663 1.013 672 HE2 LYS 81 HE3 LYS 81 14.197 5.573 1.302 673 HE3 LYS 81 HE2 LYS 81 14.984 4.113 0.706 674 HZ1 LYS 81 HZ1 LYS 81 13.618 4.729 -1.438 675 HZ2 LYS 81 HZ2 LYS 81 15.134 5.416 -1.131 676 HZ3 LYS 81 HZ3 LYS 81 13.726 6.288 -0.789 677 H THR 82 H THR 82 13.470 2.394 4.421 678 HA THR 82 HA THR 82 12.028 1.950 6.905 679 HB THR 82 HB THR 82 14.947 1.563 7.174 680 HG1 THR 82 HG1 THR 82 13.275 -0.428 6.043 681 HG21 THR 82 HG21 THR 82 12.899 1.290 8.886 682 HG22 THR 82 HG22 THR 82 14.430 0.426 9.035 683 HG23 THR 82 HG23 THR 82 13.038 -0.368 8.297 684 H LYS 83 H LYS 83 12.100 3.682 8.228 685 HA LYS 83 HA LYS 83 14.024 5.816 7.568 686 HB2 LYS 83 HB3 LYS 83 11.199 6.224 8.557 687 HB3 LYS 83 HB2 LYS 83 12.331 7.470 8.052 688 HG2 LYS 83 HG3 LYS 83 11.649 5.368 6.080 689 HG3 LYS 83 HG2 LYS 83 10.411 6.564 6.468 690 HD2 LYS 83 HD3 LYS 83 13.089 7.671 5.987 691 HD3 LYS 83 HD2 LYS 83 12.348 6.893 4.587 692 HE2 LYS 83 HE3 LYS 83 10.286 8.382 5.645 693 HE3 LYS 83 HE2 LYS 83 11.694 9.414 5.894 694 HZ1 LYS 83 HZ1 LYS 83 12.220 9.050 3.499 695 HZ2 LYS 83 HZ2 LYS 83 10.797 9.923 3.777 696 HZ3 LYS 83 HZ3 LYS 83 10.717 8.293 3.328 697 H GLU 84 H GLU 84 14.540 3.833 9.475 698 HA GLU 84 HA GLU 84 14.030 5.091 12.066 699 HB2 GLU 84 HB3 GLU 84 14.825 2.374 11.159 700 HB3 GLU 84 HB2 GLU 84 15.417 2.899 12.730 701 HG2 GLU 84 HG3 GLU 84 12.546 3.324 12.211 702 HG3 GLU 84 HG2 GLU 84 13.078 1.650 12.364 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -3.384 7.531 -5.882 2 H2 MET 1 H2 MET 1 -5.076 7.570 -6.148 3 H3 MET 1 H3 MET 1 -4.038 6.899 -7.339 4 HA MET 1 HA MET 1 -5.282 5.293 -5.957 5 HB2 MET 1 HB3 MET 1 -3.060 5.018 -7.260 6 HB3 MET 1 HB2 MET 1 -2.298 5.034 -5.676 7 HG2 MET 1 HG3 MET 1 -2.782 2.902 -5.368 8 HG3 MET 1 HG2 MET 1 -4.494 3.209 -5.645 9 HE1 MET 1 HE1 MET 1 -1.909 0.583 -7.744 10 HE2 MET 1 HE2 MET 1 -1.493 1.672 -6.420 11 HE3 MET 1 HE3 MET 1 -1.097 2.112 -8.082 12 H ARG 2 H ARG 2 -5.727 4.493 -3.962 13 HA ARG 2 HA ARG 2 -4.578 5.945 -1.685 14 HB2 ARG 2 HB3 ARG 2 -6.573 4.873 -0.463 15 HB3 ARG 2 HB2 ARG 2 -6.906 6.172 -1.599 16 HG2 ARG 2 HG3 ARG 2 -6.964 3.491 -2.776 17 HG3 ARG 2 HG2 ARG 2 -8.191 3.783 -1.543 18 HD2 ARG 2 HD3 ARG 2 -9.394 4.768 -3.137 19 HD3 ARG 2 HD2 ARG 2 -8.224 6.085 -3.083 20 HE ARG 2 HE ARG 2 -7.440 3.917 -4.797 21 HH11 ARG 2 HH11 ARG 2 -9.270 6.881 -4.592 22 HH12 ARG 2 HH12 ARG 2 -9.194 7.193 -6.294 23 HH21 ARG 2 HH22 ARG 2 -7.338 4.326 -7.036 24 HH22 ARG 2 HH21 ARG 2 -8.099 5.742 -7.682 25 H ILE 3 H ILE 3 -4.019 4.793 0.242 26 HA ILE 3 HA ILE 3 -2.336 2.639 -0.088 27 HB ILE 3 HB ILE 3 -2.343 4.057 1.904 28 HG12 ILE 3 HG13 ILE 3 -1.453 1.620 1.798 29 HG13 ILE 3 HG12 ILE 3 -1.565 2.418 3.359 30 HG21 ILE 3 HG21 ILE 3 -4.354 4.510 2.769 31 HG22 ILE 3 HG22 ILE 3 -4.140 3.005 3.664 32 HG23 ILE 3 HG23 ILE 3 -5.061 3.014 2.160 33 HD11 ILE 3 HD11 ILE 3 -4.009 1.030 2.793 34 HD12 ILE 3 HD12 ILE 3 -2.880 0.814 4.129 35 HD13 ILE 3 HD13 ILE 3 -2.631 -0.053 2.614 36 H ASP 4 H ASP 4 -5.791 2.635 0.199 37 HA ASP 4 HA ASP 4 -6.148 -0.035 1.039 38 HB2 ASP 4 HB3 ASP 4 -7.862 1.918 0.888 39 HB3 ASP 4 HB2 ASP 4 -8.093 1.369 -0.770 40 H LYS 5 H LYS 5 -6.531 1.352 -2.230 41 HA LYS 5 HA LYS 5 -6.304 -1.308 -3.385 42 HB2 LYS 5 HB3 LYS 5 -7.504 1.197 -4.153 43 HB3 LYS 5 HB2 LYS 5 -6.471 0.600 -5.443 44 HG2 LYS 5 HG3 LYS 5 -7.680 -1.611 -5.203 45 HG3 LYS 5 HG2 LYS 5 -8.838 -0.752 -4.186 46 HD2 LYS 5 HD3 LYS 5 -8.667 0.899 -6.354 47 HD3 LYS 5 HD2 LYS 5 -8.472 -0.692 -7.095 48 HE2 LYS 5 HE3 LYS 5 -10.546 -1.445 -6.220 49 HE3 LYS 5 HE2 LYS 5 -10.689 -0.038 -5.168 50 HZ1 LYS 5 HZ1 LYS 5 -10.509 0.417 -8.054 51 HZ2 LYS 5 HZ2 LYS 5 -11.355 1.287 -6.874 52 HZ3 LYS 5 HZ3 LYS 5 -11.965 -0.185 -7.441 53 H PHE 6 H PHE 6 -4.132 1.046 -2.492 54 HA PHE 6 HA PHE 6 -2.406 1.049 -4.753 55 HB2 PHE 6 HB3 PHE 6 -2.404 2.855 -3.084 56 HB3 PHE 6 HB2 PHE 6 -1.795 1.733 -1.872 57 HD1 PHE 6 HD1 PHE 6 -0.979 3.622 -4.906 58 HD2 PHE 6 HD2 PHE 6 0.503 1.051 -1.855 59 HE1 PHE 6 HE1 PHE 6 1.326 4.157 -5.579 60 HE2 PHE 6 HE2 PHE 6 2.811 1.583 -2.523 61 HZ PHE 6 HZ PHE 6 3.224 3.138 -4.387 62 H LEU 7 H LEU 7 -1.836 -0.344 -1.511 63 HA LEU 7 HA LEU 7 0.191 -2.078 -2.621 64 HB2 LEU 7 HB3 LEU 7 0.617 -2.720 -0.307 65 HB3 LEU 7 HB2 LEU 7 0.620 -0.980 -0.517 66 HG LEU 7 HG LEU 7 -1.849 -1.125 0.298 67 HD11 LEU 7 HD11 LEU 7 -1.229 -3.276 2.085 68 HD12 LEU 7 HD12 LEU 7 -1.135 -3.843 0.419 69 HD13 LEU 7 HD13 LEU 7 -2.611 -3.083 1.010 70 HD21 LEU 7 HD21 LEU 7 0.616 -1.403 1.991 71 HD22 LEU 7 HD22 LEU 7 -0.978 -1.122 2.691 72 HD23 LEU 7 HD23 LEU 7 -0.281 0.059 1.582 73 H GLN 8 H GLN 8 -3.144 -2.316 -2.068 74 HA GLN 8 HA GLN 8 -3.090 -5.192 -1.633 75 HB2 GLN 8 HB3 GLN 8 -5.445 -3.333 -1.978 76 HB3 GLN 8 HB2 GLN 8 -5.524 -5.018 -1.480 77 HG2 GLN 8 HG3 GLN 8 -4.145 -4.410 0.511 78 HG3 GLN 8 HG2 GLN 8 -4.320 -2.719 0.039 79 HE21 GLN 8 HE22 GLN 8 -6.430 -5.562 0.362 80 HE22 GLN 8 HE21 GLN 8 -7.671 -4.752 1.250 81 H SER 9 H SER 9 -3.286 -2.994 -4.253 82 HA SER 9 HA SER 9 -4.411 -5.052 -6.016 83 HB2 SER 9 HB3 SER 9 -3.875 -2.160 -6.709 84 HB3 SER 9 HB2 SER 9 -4.882 -3.312 -7.588 85 HG SER 9 HG SER 9 -6.423 -3.151 -6.075 86 H VAL 10 H VAL 10 -1.428 -3.924 -5.031 87 HA VAL 10 HA VAL 10 -0.133 -4.269 -7.618 88 HB VAL 10 HB VAL 10 1.946 -3.653 -6.446 89 HG11 VAL 10 HG11 VAL 10 0.923 -1.335 -5.585 90 HG12 VAL 10 HG12 VAL 10 -0.460 -1.939 -6.495 91 HG13 VAL 10 HG13 VAL 10 1.098 -1.734 -7.294 92 HG21 VAL 10 HG21 VAL 10 1.518 -4.559 -4.261 93 HG22 VAL 10 HG22 VAL 10 0.153 -3.467 -4.029 94 HG23 VAL 10 HG23 VAL 10 1.792 -2.824 -4.112 95 H GLY 11 H GLY 11 -1.383 -6.468 -5.809 96 HA2 GLY 11 HA3 GLY 11 -0.964 -8.722 -5.595 97 HA3 GLY 11 HA2 GLY 11 0.524 -8.477 -6.495 98 H LEU 12 H LEU 12 0.073 -6.515 -3.707 99 HA LEU 12 HA LEU 12 2.342 -7.736 -2.427 100 HB2 LEU 12 HB3 LEU 12 1.200 -5.210 -2.423 101 HB3 LEU 12 HB2 LEU 12 0.849 -5.819 -0.818 102 HG LEU 12 HG LEU 12 3.598 -5.646 -2.054 103 HD11 LEU 12 HD11 LEU 12 3.935 -3.676 -0.988 104 HD12 LEU 12 HD12 LEU 12 2.830 -4.072 0.331 105 HD13 LEU 12 HD13 LEU 12 2.192 -3.537 -1.225 106 HD21 LEU 12 HD21 LEU 12 3.452 -7.495 -0.506 107 HD22 LEU 12 HD22 LEU 12 2.694 -6.462 0.705 108 HD23 LEU 12 HD23 LEU 12 4.370 -6.180 0.229 109 H VAL 13 H VAL 13 -1.065 -7.222 -1.511 110 HA VAL 13 HA VAL 13 -0.780 -9.138 0.665 111 HB VAL 13 HB VAL 13 -3.055 -8.507 1.297 112 HG11 VAL 13 HG11 VAL 13 -2.493 -5.878 1.347 113 HG12 VAL 13 HG12 VAL 13 -0.900 -6.524 0.953 114 HG13 VAL 13 HG13 VAL 13 -1.733 -7.060 2.413 115 HG21 VAL 13 HG21 VAL 13 -4.385 -7.957 -0.434 116 HG22 VAL 13 HG22 VAL 13 -3.049 -7.325 -1.395 117 HG23 VAL 13 HG23 VAL 13 -3.782 -6.326 -0.140 118 H LYS 14 H LYS 14 -2.159 -10.970 0.898 119 HA LYS 14 HA LYS 14 -3.759 -11.825 -1.352 120 HB2 LYS 14 HB3 LYS 14 -2.528 -13.863 -1.797 121 HB3 LYS 14 HB2 LYS 14 -1.470 -12.478 -2.023 122 HG2 LYS 14 HG3 LYS 14 -1.240 -13.344 0.675 123 HG3 LYS 14 HG2 LYS 14 -1.084 -14.748 -0.381 124 HD2 LYS 14 HD3 LYS 14 1.102 -13.876 -0.099 125 HD3 LYS 14 HD2 LYS 14 0.584 -13.403 -1.718 126 HE2 LYS 14 HE3 LYS 14 0.552 -11.206 -1.207 127 HE3 LYS 14 HE2 LYS 14 -0.053 -11.489 0.424 128 HZ1 LYS 14 HZ1 LYS 14 2.405 -12.475 0.637 129 HZ2 LYS 14 HZ2 LYS 14 2.022 -10.862 0.973 130 HZ3 LYS 14 HZ3 LYS 14 2.682 -11.279 -0.526 131 H ARG 15 H ARG 15 -5.039 -13.694 -0.900 132 HA ARG 15 HA ARG 15 -6.348 -15.015 0.407 133 HB2 ARG 15 HB3 ARG 15 -4.084 -15.979 0.991 134 HB3 ARG 15 HB2 ARG 15 -4.105 -14.961 2.425 135 HG2 ARG 15 HG3 ARG 15 -6.513 -16.207 2.618 136 HG3 ARG 15 HG2 ARG 15 -5.526 -17.460 1.861 137 HD2 ARG 15 HD3 ARG 15 -3.800 -16.870 3.698 138 HD3 ARG 15 HD2 ARG 15 -5.169 -16.113 4.514 139 HE ARG 15 HE ARG 15 -5.672 -18.814 3.669 140 HH11 ARG 15 HH11 ARG 15 -4.371 -16.811 6.210 141 HH12 ARG 15 HH12 ARG 15 -4.603 -18.005 7.442 142 HH21 ARG 15 HH22 ARG 15 -5.980 -20.387 5.288 143 HH22 ARG 15 HH21 ARG 15 -5.517 -20.035 6.919 144 H ARG 16 H ARG 16 -7.937 -14.770 1.934 145 HA ARG 16 HA ARG 16 -9.309 -13.682 3.381 146 HB2 ARG 16 HB3 ARG 16 -6.597 -13.259 4.521 147 HB3 ARG 16 HB2 ARG 16 -7.903 -12.279 5.173 148 HG2 ARG 16 HG3 ARG 16 -9.086 -14.167 5.927 149 HG3 ARG 16 HG2 ARG 16 -8.095 -15.267 4.967 150 HD2 ARG 16 HD3 ARG 16 -7.606 -15.211 7.443 151 HD3 ARG 16 HD2 ARG 16 -6.224 -14.966 6.378 152 HE ARG 16 HE ARG 16 -7.483 -12.981 8.103 153 HH11 ARG 16 HH11 ARG 16 -5.076 -13.697 5.671 154 HH12 ARG 16 HH12 ARG 16 -4.163 -12.261 5.980 155 HH21 ARG 16 HH22 ARG 16 -6.277 -11.097 8.507 156 HH22 ARG 16 HH21 ARG 16 -4.842 -10.786 7.588 157 H VAL 17 H VAL 17 -9.943 -12.377 1.511 158 HA VAL 17 HA VAL 17 -9.079 -9.569 1.765 159 HB VAL 17 HB VAL 17 -10.326 -10.835 -0.676 160 HG11 VAL 17 HG11 VAL 17 -9.256 -8.134 -0.008 161 HG12 VAL 17 HG12 VAL 17 -10.707 -8.580 -0.904 162 HG13 VAL 17 HG13 VAL 17 -9.122 -8.728 -1.662 163 HG21 VAL 17 HG21 VAL 17 -8.309 -11.912 -0.708 164 HG22 VAL 17 HG22 VAL 17 -7.491 -10.642 0.202 165 HG23 VAL 17 HG23 VAL 17 -7.856 -10.407 -1.507 166 H LEU 18 H LEU 18 -10.536 -8.344 2.751 167 HA LEU 18 HA LEU 18 -13.364 -8.670 2.066 168 HB2 LEU 18 HB3 LEU 18 -12.514 -9.757 4.346 169 HB3 LEU 18 HB2 LEU 18 -12.721 -8.112 4.914 170 HG LEU 18 HG LEU 18 -14.995 -9.272 3.413 171 HD11 LEU 18 HD11 LEU 18 -13.909 -10.969 5.167 172 HD12 LEU 18 HD12 LEU 18 -15.650 -10.828 4.918 173 HD13 LEU 18 HD13 LEU 18 -14.883 -10.003 6.275 174 HD21 LEU 18 HD21 LEU 18 -14.520 -7.376 5.661 175 HD22 LEU 18 HD22 LEU 18 -16.089 -8.171 5.530 176 HD23 LEU 18 HD23 LEU 18 -15.490 -7.176 4.202 177 H ALA 19 H ALA 19 -12.723 -6.763 0.787 178 HA ALA 19 HA ALA 19 -12.815 -4.527 0.385 179 HB1 ALA 19 HB1 ALA 19 -14.810 -4.177 1.427 180 HB2 ALA 19 HB2 ALA 19 -13.781 -3.164 2.439 181 HB3 ALA 19 HB3 ALA 19 -14.233 -4.780 2.981 182 H THR 20 H THR 20 -12.206 -4.214 3.862 183 HA THR 20 HA THR 20 -9.397 -3.770 3.549 184 HB THR 20 HB THR 20 -10.028 -1.643 2.680 185 HG1 THR 20 HG1 THR 20 -8.456 -1.704 4.470 186 HG21 THR 20 HG21 THR 20 -11.968 -0.692 3.119 187 HG22 THR 20 HG22 THR 20 -11.433 -0.379 4.770 188 HG23 THR 20 HG23 THR 20 -12.287 -1.874 4.387 189 H ASP 21 H ASP 21 -8.514 -4.489 5.362 190 HA ASP 21 HA ASP 21 -10.086 -4.332 7.848 191 HB2 ASP 21 HB3 ASP 21 -8.283 -6.405 6.713 192 HB3 ASP 21 HB2 ASP 21 -8.245 -6.184 8.460 193 H MET 22 H MET 22 -7.024 -3.623 6.343 194 HA MET 22 HA MET 22 -5.418 -3.142 8.554 195 HB2 MET 22 HB3 MET 22 -5.482 -2.166 5.748 196 HB3 MET 22 HB2 MET 22 -4.492 -1.261 6.885 197 HG2 MET 22 HG3 MET 22 -2.915 -2.829 6.933 198 HG3 MET 22 HG2 MET 22 -4.092 -4.133 7.085 199 HE1 MET 22 HE1 MET 22 -4.348 -1.884 3.514 200 HE2 MET 22 HE2 MET 22 -2.604 -2.082 3.341 201 HE3 MET 22 HE3 MET 22 -3.267 -1.342 4.799 202 H CYS 23 H CYS 23 -7.712 -0.977 6.940 203 HA CYS 23 HA CYS 23 -7.142 1.315 8.475 204 HB2 CYS 23 HB3 CYS 23 -8.349 1.490 6.379 205 HB3 CYS 23 HB2 CYS 23 -9.665 0.509 7.016 206 HG CYS 23 HG CYS 23 -9.111 3.278 8.298 207 H ASN 24 H ASN 24 -8.888 -1.557 9.209 208 HA ASN 24 HA ASN 24 -10.324 -0.321 11.423 209 HB2 ASN 24 HB3 ASN 24 -10.568 -2.789 9.874 210 HB3 ASN 24 HB2 ASN 24 -10.760 -3.046 11.606 211 HD21 ASN 24 HD22 ASN 24 -12.023 -0.878 12.486 212 HD22 ASN 24 HD21 ASN 24 -13.562 -0.696 11.724 213 H VAL 25 H VAL 25 -7.821 -2.775 10.883 214 HA VAL 25 HA VAL 25 -7.407 -3.319 13.646 215 HB VAL 25 HB VAL 25 -5.387 -4.500 12.941 216 HG11 VAL 25 HG11 VAL 25 -7.236 -5.277 10.781 217 HG12 VAL 25 HG12 VAL 25 -7.924 -5.217 12.404 218 HG13 VAL 25 HG13 VAL 25 -6.529 -6.244 12.074 219 HG21 VAL 25 HG21 VAL 25 -4.280 -3.448 11.272 220 HG22 VAL 25 HG22 VAL 25 -5.762 -2.867 10.511 221 HG23 VAL 25 HG23 VAL 25 -5.235 -4.531 10.258 222 H GLY 26 H GLY 26 -6.079 -1.005 11.384 223 HA2 GLY 26 HA3 GLY 26 -5.170 1.068 12.178 224 HA3 GLY 26 HA2 GLY 26 -4.617 0.230 13.620 225 H ALA 27 H ALA 27 -4.224 -0.372 10.131 226 HA ALA 27 HA ALA 27 -1.315 -0.508 10.592 227 HB1 ALA 27 HB1 ALA 27 -3.161 -2.193 9.015 228 HB2 ALA 27 HB2 ALA 27 -1.683 -2.623 9.877 229 HB3 ALA 27 HB3 ALA 27 -1.588 -1.857 8.292 230 H VAL 28 H VAL 28 -3.865 0.624 8.440 231 HA VAL 28 HA VAL 28 -2.264 1.694 6.414 232 HB VAL 28 HB VAL 28 -4.214 3.080 5.858 233 HG11 VAL 28 HG11 VAL 28 -4.004 0.366 5.714 234 HG12 VAL 28 HG12 VAL 28 -5.255 1.329 4.929 235 HG13 VAL 28 HG13 VAL 28 -5.575 0.573 6.491 236 HG21 VAL 28 HG21 VAL 28 -6.299 2.665 7.281 237 HG22 VAL 28 HG22 VAL 28 -5.090 3.785 7.908 238 HG23 VAL 28 HG23 VAL 28 -5.177 2.139 8.535 239 H TRP 29 H TRP 29 -0.772 3.219 6.581 240 HA TRP 29 HA TRP 29 -1.351 5.632 8.119 241 HB2 TRP 29 HB3 TRP 29 0.922 3.753 8.623 242 HB3 TRP 29 HB2 TRP 29 1.165 5.479 8.869 243 HD1 TRP 29 HD1 TRP 29 -1.442 2.822 10.007 244 HE1 TRP 29 HE1 TRP 29 -2.048 3.319 12.459 245 HE3 TRP 29 HE3 TRP 29 1.419 6.998 10.722 246 HZ2 TRP 29 HZ2 TRP 29 -1.399 5.228 14.434 247 HZ3 TRP 29 HZ3 TRP 29 1.369 8.100 12.921 248 HH2 TRP 29 HH2 TRP 29 -0.011 7.232 14.739 249 H LEU 30 H LEU 30 -1.265 7.137 6.591 250 HA LEU 30 HA LEU 30 0.685 6.917 4.430 251 HB2 LEU 30 HB3 LEU 30 -1.875 7.552 4.270 252 HB3 LEU 30 HB2 LEU 30 -1.272 9.159 4.627 253 HG LEU 30 HG LEU 30 -0.430 7.451 2.285 254 HD11 LEU 30 HD11 LEU 30 -1.747 10.038 1.854 255 HD12 LEU 30 HD12 LEU 30 -2.775 8.780 2.543 256 HD13 LEU 30 HD13 LEU 30 -1.949 8.502 1.010 257 HD21 LEU 30 HD21 LEU 30 0.469 10.117 3.303 258 HD22 LEU 30 HD22 LEU 30 0.544 9.738 1.582 259 HD23 LEU 30 HD23 LEU 30 1.435 8.752 2.742 260 H ASN 31 H ASN 31 2.519 8.031 4.401 261 HA ASN 31 HA ASN 31 4.183 9.465 4.996 262 HB2 ASN 31 HB3 ASN 31 2.014 10.989 4.251 263 HB3 ASN 31 HB2 ASN 31 2.431 11.669 5.821 264 HD21 ASN 31 HD22 ASN 31 3.186 13.586 5.021 265 HD22 ASN 31 HD21 ASN 31 4.641 13.720 4.101 266 H GLY 32 H GLY 32 3.528 7.723 7.007 267 HA2 GLY 32 HA3 GLY 32 3.863 7.384 9.251 268 HA3 GLY 32 HA2 GLY 32 4.635 8.962 9.271 269 H SER 33 H SER 33 1.322 8.563 8.266 270 HA SER 33 HA SER 33 0.364 9.507 10.869 271 HB2 SER 33 HB3 SER 33 0.562 11.129 8.515 272 HB3 SER 33 HB2 SER 33 -1.144 10.883 8.892 273 HG SER 33 HG SER 33 -0.031 12.704 9.958 274 H CYS 34 H CYS 34 -1.880 9.135 11.249 275 HA CYS 34 HA CYS 34 -2.828 6.673 10.336 276 HB2 CYS 34 HB3 CYS 34 -5.004 7.384 11.378 277 HB3 CYS 34 HB2 CYS 34 -3.605 7.522 12.437 278 HG CYS 34 HG CYS 34 -5.448 9.723 11.892 279 H ALA 35 H ALA 35 -4.309 6.058 8.810 280 HA ALA 35 HA ALA 35 -5.457 8.137 7.086 281 HB1 ALA 35 HB1 ALA 35 -4.463 5.744 5.678 282 HB2 ALA 35 HB2 ALA 35 -3.234 6.854 6.284 283 HB3 ALA 35 HB3 ALA 35 -4.478 7.435 5.178 284 H LYS 36 H LYS 36 -6.709 6.619 5.233 285 HA LYS 36 HA LYS 36 -8.410 4.791 6.790 286 HB2 LYS 36 HB3 LYS 36 -9.194 7.259 5.832 287 HB3 LYS 36 HB2 LYS 36 -9.768 6.156 4.589 288 HG2 LYS 36 HG3 LYS 36 -11.005 4.890 6.246 289 HG3 LYS 36 HG2 LYS 36 -10.383 5.932 7.528 290 HD2 LYS 36 HD3 LYS 36 -11.431 7.789 5.885 291 HD3 LYS 36 HD2 LYS 36 -12.501 6.430 5.531 292 HE2 LYS 36 HE3 LYS 36 -13.303 7.920 7.364 293 HE3 LYS 36 HE2 LYS 36 -13.119 6.229 7.830 294 HZ1 LYS 36 HZ1 LYS 36 -12.195 8.145 9.325 295 HZ2 LYS 36 HZ2 LYS 36 -10.870 8.057 8.277 296 HZ3 LYS 36 HZ3 LYS 36 -11.342 6.694 9.161 297 H ALA 37 H ALA 37 -10.086 3.979 4.740 298 HA ALA 37 HA ALA 37 -8.238 2.357 3.155 299 HB1 ALA 37 HB1 ALA 37 -11.211 1.972 3.371 300 HB2 ALA 37 HB2 ALA 37 -10.080 1.335 4.565 301 HB3 ALA 37 HB3 ALA 37 -9.986 0.799 2.888 302 H SER 38 H SER 38 -8.916 5.193 2.536 303 HA SER 38 HA SER 38 -9.292 4.858 -0.279 304 HB2 SER 38 HB3 SER 38 -11.568 5.706 1.420 305 HB3 SER 38 HB2 SER 38 -11.296 6.655 -0.042 306 HG SER 38 HG SER 38 -11.296 4.609 -1.183 307 H LYS 39 H LYS 39 -7.365 6.002 1.575 308 HA LYS 39 HA LYS 39 -7.548 8.868 1.032 309 HB2 LYS 39 HB3 LYS 39 -6.570 7.371 3.198 310 HB3 LYS 39 HB2 LYS 39 -5.149 8.068 2.433 311 HG2 LYS 39 HG3 LYS 39 -6.937 10.171 2.523 312 HG3 LYS 39 HG2 LYS 39 -7.198 9.327 4.051 313 HD2 LYS 39 HD3 LYS 39 -4.505 9.338 3.971 314 HD3 LYS 39 HD2 LYS 39 -4.844 10.824 3.082 315 HE2 LYS 39 HE3 LYS 39 -6.539 11.123 5.146 316 HE3 LYS 39 HE2 LYS 39 -5.283 10.165 5.928 317 HZ1 LYS 39 HZ1 LYS 39 -3.793 11.964 4.684 318 HZ2 LYS 39 HZ2 LYS 39 -4.391 12.194 6.250 319 HZ3 LYS 39 HZ3 LYS 39 -5.184 12.895 4.930 320 H GLU 40 H GLU 40 -6.768 9.509 -0.864 321 HA GLU 40 HA GLU 40 -5.073 8.054 -2.531 322 HB2 GLU 40 HB3 GLU 40 -4.774 10.163 -3.777 323 HB3 GLU 40 HB2 GLU 40 -6.458 9.855 -3.380 324 HG2 GLU 40 HG3 GLU 40 -5.480 11.360 -1.251 325 HG3 GLU 40 HG2 GLU 40 -4.787 12.095 -2.696 326 H VAL 41 H VAL 41 -2.908 7.911 -2.782 327 HA VAL 41 HA VAL 41 -1.255 9.201 -0.731 328 HB VAL 41 HB VAL 41 0.482 7.538 -1.405 329 HG11 VAL 41 HG11 VAL 41 -1.145 5.517 -0.655 330 HG12 VAL 41 HG12 VAL 41 -2.113 6.909 -0.170 331 HG13 VAL 41 HG13 VAL 41 -0.476 6.711 0.457 332 HG21 VAL 41 HG21 VAL 41 -0.970 7.236 -3.677 333 HG22 VAL 41 HG22 VAL 41 -1.480 5.822 -2.755 334 HG23 VAL 41 HG23 VAL 41 0.231 6.080 -3.098 335 H LYS 42 H LYS 42 1.141 9.451 -1.616 336 HA LYS 42 HA LYS 42 1.032 10.791 -4.232 337 HB2 LYS 42 HB3 LYS 42 1.091 12.199 -1.925 338 HB3 LYS 42 HB2 LYS 42 2.814 11.978 -2.191 339 HG2 LYS 42 HG3 LYS 42 2.638 13.842 -3.411 340 HG3 LYS 42 HG2 LYS 42 2.005 12.764 -4.656 341 HD2 LYS 42 HD3 LYS 42 -0.049 13.596 -2.780 342 HD3 LYS 42 HD2 LYS 42 0.722 14.969 -3.573 343 HE2 LYS 42 HE3 LYS 42 0.362 13.282 -5.670 344 HE3 LYS 42 HE2 LYS 42 -1.038 12.888 -4.673 345 HZ1 LYS 42 HZ1 LYS 42 -1.872 14.616 -5.865 346 HZ2 LYS 42 HZ2 LYS 42 -0.376 15.386 -6.046 347 HZ3 LYS 42 HZ3 LYS 42 -1.211 15.495 -4.580 348 H ALA 43 H ALA 43 3.342 11.326 -4.991 349 HA ALA 43 HA ALA 43 4.811 8.861 -5.021 350 HB1 ALA 43 HB1 ALA 43 4.501 10.511 -6.955 351 HB2 ALA 43 HB2 ALA 43 6.102 9.805 -6.729 352 HB3 ALA 43 HB3 ALA 43 5.780 11.452 -6.187 353 H GLY 44 H GLY 44 6.994 8.564 -4.391 354 HA2 GLY 44 HA3 GLY 44 8.747 8.700 -2.917 355 HA3 GLY 44 HA2 GLY 44 8.588 10.445 -3.073 356 H ASP 45 H ASP 45 5.971 8.475 -1.880 357 HA ASP 45 HA ASP 45 6.268 9.776 0.736 358 HB2 ASP 45 HB3 ASP 45 3.953 8.802 -0.857 359 HB3 ASP 45 HB2 ASP 45 3.827 8.684 0.896 360 H THR 46 H THR 46 5.399 8.410 2.610 361 HA THR 46 HA THR 46 6.687 5.777 2.454 362 HB THR 46 HB THR 46 5.952 7.434 4.875 363 HG1 THR 46 HG1 THR 46 7.926 8.187 4.805 364 HG21 THR 46 HG21 THR 46 6.037 4.989 5.306 365 HG22 THR 46 HG22 THR 46 7.242 5.927 6.189 366 HG23 THR 46 HG23 THR 46 7.714 5.003 4.764 367 H ILE 47 H ILE 47 5.689 3.943 3.395 368 HA ILE 47 HA ILE 47 2.792 4.170 3.853 369 HB ILE 47 HB ILE 47 4.101 1.990 2.220 370 HG12 ILE 47 HG13 ILE 47 4.059 4.146 1.028 371 HG13 ILE 47 HG12 ILE 47 2.967 2.976 0.293 372 HG21 ILE 47 HG21 ILE 47 2.265 0.941 3.090 373 HG22 ILE 47 HG22 ILE 47 1.540 1.688 1.666 374 HG23 ILE 47 HG23 ILE 47 1.348 2.438 3.251 375 HD11 ILE 47 HD11 ILE 47 1.569 4.513 2.264 376 HD12 ILE 47 HD12 ILE 47 1.259 4.355 0.536 377 HD13 ILE 47 HD13 ILE 47 2.385 5.580 1.121 378 H SER 48 H SER 48 2.808 3.801 6.021 379 HA SER 48 HA SER 48 4.456 1.739 7.183 380 HB2 SER 48 HB3 SER 48 2.838 3.971 8.151 381 HB3 SER 48 HB2 SER 48 2.679 2.527 9.151 382 HG SER 48 HG SER 48 5.000 2.486 9.235 383 H LEU 49 H LEU 49 3.685 -0.087 8.328 384 HA LEU 49 HA LEU 49 0.913 -0.880 7.975 385 HB2 LEU 49 HB3 LEU 49 3.222 -2.186 6.596 386 HB3 LEU 49 HB2 LEU 49 1.871 -3.171 7.124 387 HG LEU 49 HG LEU 49 0.938 -0.852 5.667 388 HD11 LEU 49 HD11 LEU 49 1.858 -1.230 3.537 389 HD12 LEU 49 HD12 LEU 49 2.631 -2.732 4.046 390 HD13 LEU 49 HD13 LEU 49 3.234 -1.184 4.639 391 HD21 LEU 49 HD21 LEU 49 -0.458 -2.392 4.648 392 HD22 LEU 49 HD22 LEU 49 -0.139 -3.146 6.210 393 HD23 LEU 49 HD23 LEU 49 0.721 -3.698 4.773 394 H HIS 50 H HIS 50 0.266 -1.701 9.848 395 HA HIS 50 HA HIS 50 2.258 -2.700 11.732 396 HB2 HIS 50 HB3 HIS 50 0.302 -1.016 12.232 397 HB3 HIS 50 HB2 HIS 50 -0.657 -2.485 12.382 398 HD1 HIS 50 HD1 HIS 50 -0.384 -0.842 14.860 399 HD2 HIS 50 HD2 HIS 50 2.373 -3.773 13.823 400 HE1 HIS 50 HE1 HIS 50 0.749 -1.490 17.009 401 HE2 HIS 50 HE2 HIS 50 2.477 -3.197 16.343 402 H TYR 51 H TYR 51 2.688 -4.789 11.812 403 HA TYR 51 HA TYR 51 0.537 -6.699 11.164 404 HB2 TYR 51 HB3 TYR 51 3.447 -6.686 10.468 405 HB3 TYR 51 HB2 TYR 51 2.624 -8.228 10.676 406 HD1 TYR 51 HD1 TYR 51 1.672 -4.983 9.076 407 HD2 TYR 51 HD2 TYR 51 2.144 -9.188 8.636 408 HE1 TYR 51 HE1 TYR 51 0.821 -4.830 6.776 409 HE2 TYR 51 HE2 TYR 51 1.295 -9.048 6.332 410 HH TYR 51 HH TYR 51 1.243 -7.035 4.509 411 H LEU 52 H LEU 52 1.120 -8.959 12.109 412 HA LEU 52 HA LEU 52 1.177 -8.659 14.941 413 HB2 LEU 52 HB3 LEU 52 1.167 -11.191 14.916 414 HB3 LEU 52 HB2 LEU 52 -0.189 -10.394 14.143 415 HG LEU 52 HG LEU 52 0.885 -10.798 11.933 416 HD11 LEU 52 HD11 LEU 52 3.109 -11.124 12.074 417 HD12 LEU 52 HD12 LEU 52 2.636 -12.812 12.261 418 HD13 LEU 52 HD13 LEU 52 3.012 -11.840 13.683 419 HD21 LEU 52 HD21 LEU 52 0.544 -13.308 12.001 420 HD22 LEU 52 HD22 LEU 52 -0.806 -12.315 12.549 421 HD23 LEU 52 HD23 LEU 52 0.233 -13.117 13.727 422 H LYS 53 H LYS 53 3.588 -9.248 12.552 423 HA LYS 53 HA LYS 53 5.501 -10.209 14.541 424 HB2 LYS 53 HB3 LYS 53 6.977 -10.656 12.664 425 HB3 LYS 53 HB2 LYS 53 5.393 -11.360 12.363 426 HG2 LYS 53 HG3 LYS 53 4.936 -9.148 11.086 427 HG3 LYS 53 HG2 LYS 53 6.694 -9.007 11.066 428 HD2 LYS 53 HD3 LYS 53 5.588 -11.630 10.281 429 HD3 LYS 53 HD2 LYS 53 5.283 -10.293 9.170 430 HE2 LYS 53 HE3 LYS 53 7.905 -9.910 9.704 431 HE3 LYS 53 HE2 LYS 53 7.801 -11.663 9.847 432 HZ1 LYS 53 HZ1 LYS 53 7.132 -9.993 7.495 433 HZ2 LYS 53 HZ2 LYS 53 6.665 -11.615 7.623 434 HZ3 LYS 53 HZ3 LYS 53 8.305 -11.206 7.610 435 H GLY 54 H GLY 54 4.656 -7.360 12.763 436 HA2 GLY 54 HA3 GLY 54 5.891 -5.497 14.257 437 HA3 GLY 54 HA2 GLY 54 7.202 -6.055 13.231 438 H ILE 55 H ILE 55 7.373 -3.979 12.296 439 HA ILE 55 HA ILE 55 5.185 -3.320 10.433 440 HB ILE 55 HB ILE 55 7.177 -1.368 11.589 441 HG12 ILE 55 HG13 ILE 55 4.903 -0.561 12.697 442 HG13 ILE 55 HG12 ILE 55 4.484 -2.263 12.523 443 HG21 ILE 55 HG21 ILE 55 6.483 -0.105 9.890 444 HG22 ILE 55 HG22 ILE 55 4.930 -0.008 10.719 445 HG23 ILE 55 HG23 ILE 55 5.192 -1.234 9.478 446 HD11 ILE 55 HD11 ILE 55 5.629 -2.746 14.347 447 HD12 ILE 55 HD12 ILE 55 5.999 -1.034 14.550 448 HD13 ILE 55 HD13 ILE 55 7.096 -2.070 13.638 449 H GLU 56 H GLU 56 5.701 -2.794 8.328 450 HA GLU 56 HA GLU 56 8.401 -3.565 7.488 451 HB2 GLU 56 HB3 GLU 56 5.767 -3.408 6.033 452 HB3 GLU 56 HB2 GLU 56 7.293 -3.596 5.181 453 HG2 GLU 56 HG3 GLU 56 7.087 -5.780 5.444 454 HG3 GLU 56 HG2 GLU 56 7.336 -5.541 7.173 455 H GLU 57 H GLU 57 5.948 -1.072 6.819 456 HA GLU 57 HA GLU 57 6.121 1.098 6.164 457 HB2 GLU 57 HB3 GLU 57 7.820 0.952 8.158 458 HB3 GLU 57 HB2 GLU 57 9.024 1.138 6.890 459 HG2 GLU 57 HG3 GLU 57 8.360 3.280 6.382 460 HG3 GLU 57 HG2 GLU 57 6.738 3.044 7.032 461 H TYR 58 H TYR 58 5.877 0.981 3.986 462 HA TYR 58 HA TYR 58 8.245 0.451 2.341 463 HB2 TYR 58 HB3 TYR 58 5.345 0.654 1.500 464 HB3 TYR 58 HB2 TYR 58 6.691 0.163 0.479 465 HD1 TYR 58 HD1 TYR 58 5.063 -0.802 3.705 466 HD2 TYR 58 HD2 TYR 58 7.060 -2.094 0.177 467 HE1 TYR 58 HE1 TYR 58 4.707 -3.142 4.368 468 HE2 TYR 58 HE2 TYR 58 6.710 -4.438 0.831 469 HH TYR 58 HH TYR 58 4.549 -5.409 3.108 470 H THR 59 H THR 59 7.979 1.763 0.121 471 HA THR 59 HA THR 59 7.376 4.567 0.717 472 HB THR 59 HB THR 59 9.994 3.558 -0.410 473 HG1 THR 59 HG1 THR 59 10.640 3.754 1.556 474 HG21 THR 59 HG21 THR 59 9.265 6.424 0.108 475 HG22 THR 59 HG22 THR 59 9.186 5.672 -1.486 476 HG23 THR 59 HG23 THR 59 10.730 5.789 -0.641 477 H ILE 60 H ILE 60 6.314 5.543 -0.889 478 HA ILE 60 HA ILE 60 5.797 4.072 -3.323 479 HB ILE 60 HB ILE 60 4.829 6.841 -2.620 480 HG12 ILE 60 HG13 ILE 60 3.417 4.219 -2.095 481 HG13 ILE 60 HG12 ILE 60 4.286 5.126 -0.862 482 HG21 ILE 60 HG21 ILE 60 4.178 6.665 -4.771 483 HG22 ILE 60 HG22 ILE 60 2.875 5.697 -4.081 484 HG23 ILE 60 HG23 ILE 60 4.291 4.904 -4.772 485 HD11 ILE 60 HD11 ILE 60 1.687 5.363 -1.198 486 HD12 ILE 60 HD12 ILE 60 2.191 6.543 -2.408 487 HD13 ILE 60 HD13 ILE 60 2.689 6.735 -0.727 488 H LEU 61 H LEU 61 6.620 4.463 -5.292 489 HA LEU 61 HA LEU 61 8.693 6.512 -5.502 490 HB2 LEU 61 HB3 LEU 61 8.007 4.170 -7.277 491 HB3 LEU 61 HB2 LEU 61 9.294 5.314 -7.608 492 HG LEU 61 HG LEU 61 9.143 3.431 -5.254 493 HD11 LEU 61 HD11 LEU 61 11.305 2.619 -6.371 494 HD12 LEU 61 HD12 LEU 61 10.715 3.458 -7.804 495 HD13 LEU 61 HD13 LEU 61 9.768 2.151 -7.096 496 HD21 LEU 61 HD21 LEU 61 11.210 5.501 -5.986 497 HD22 LEU 61 HD22 LEU 61 11.422 4.258 -4.752 498 HD23 LEU 61 HD23 LEU 61 10.177 5.493 -4.556 499 H GLN 62 H GLN 62 5.517 5.765 -6.650 500 HA GLN 62 HA GLN 62 5.136 8.333 -7.746 501 HB2 GLN 62 HB3 GLN 62 6.558 6.842 -9.486 502 HB3 GLN 62 HB2 GLN 62 4.930 6.382 -9.965 503 HG2 GLN 62 HG3 GLN 62 4.359 8.589 -10.533 504 HG3 GLN 62 HG2 GLN 62 5.770 9.250 -9.707 505 HE21 GLN 62 HE22 GLN 62 7.898 8.480 -10.591 506 HE22 GLN 62 HE21 GLN 62 8.040 8.378 -12.310 507 H ILE 63 H ILE 63 3.014 8.431 -9.018 508 HA ILE 63 HA ILE 63 1.147 6.372 -8.041 509 HB ILE 63 HB ILE 63 0.530 9.324 -8.162 510 HG12 ILE 63 HG13 ILE 63 2.204 8.849 -6.420 511 HG13 ILE 63 HG12 ILE 63 0.654 9.305 -5.718 512 HG21 ILE 63 HG21 ILE 63 -1.580 8.825 -7.572 513 HG22 ILE 63 HG22 ILE 63 -1.083 7.510 -6.508 514 HG23 ILE 63 HG23 ILE 63 -1.200 7.241 -8.246 515 HD11 ILE 63 HD11 ILE 63 0.365 6.643 -5.758 516 HD12 ILE 63 HD12 ILE 63 1.066 7.530 -4.405 517 HD13 ILE 63 HD13 ILE 63 2.117 6.758 -5.591 518 HA PRO 64 HA PRO 64 0.537 6.712 -12.572 519 HB2 PRO 64 HB2 PRO 64 -0.216 4.142 -12.934 520 HB3 PRO 64 HB3 PRO 64 1.481 4.624 -12.809 521 HG2 PRO 64 HG3 PRO 64 -0.317 3.461 -10.712 522 HG3 PRO 64 HG2 PRO 64 1.363 3.045 -11.098 523 HD2 PRO 64 HD3 PRO 64 0.695 4.660 -9.026 524 HD3 PRO 64 HD2 PRO 64 2.209 4.847 -9.936 525 H ALA 65 H ALA 65 -1.516 6.003 -9.936 526 HA ALA 65 HA ALA 65 -3.760 6.175 -9.613 527 HB1 ALA 65 HB1 ALA 65 -3.133 8.236 -11.237 528 HB2 ALA 65 HB2 ALA 65 -4.754 7.935 -10.611 529 HB3 ALA 65 HB3 ALA 65 -4.321 7.397 -12.233 530 H LEU 66 H LEU 66 -3.087 3.726 -10.356 531 HA LEU 66 HA LEU 66 -4.932 2.954 -12.514 532 HB2 LEU 66 HB3 LEU 66 -2.928 1.111 -11.259 533 HB3 LEU 66 HB2 LEU 66 -3.671 1.012 -12.845 534 HG LEU 66 HG LEU 66 -1.728 3.189 -12.098 535 HD11 LEU 66 HD11 LEU 66 -0.458 1.228 -11.834 536 HD12 LEU 66 HD12 LEU 66 -0.105 1.799 -13.465 537 HD13 LEU 66 HD13 LEU 66 -1.217 0.452 -13.224 538 HD21 LEU 66 HD21 LEU 66 -2.490 2.110 -14.803 539 HD22 LEU 66 HD22 LEU 66 -1.570 3.569 -14.436 540 HD23 LEU 66 HD23 LEU 66 -3.287 3.489 -14.047 541 H LYS 67 H LYS 67 -5.523 0.412 -11.972 542 HA LYS 67 HA LYS 67 -6.884 0.534 -9.360 543 HB2 LYS 67 HB3 LYS 67 -7.785 -0.885 -11.875 544 HB3 LYS 67 HB2 LYS 67 -8.648 -0.861 -10.343 545 HG2 LYS 67 HG3 LYS 67 -8.111 1.824 -11.157 546 HG3 LYS 67 HG2 LYS 67 -8.859 0.943 -12.491 547 HD2 LYS 67 HD3 LYS 67 -10.353 0.143 -10.331 548 HD3 LYS 67 HD2 LYS 67 -9.998 1.829 -9.949 549 HE2 LYS 67 HE3 LYS 67 -11.135 0.884 -12.577 550 HE3 LYS 67 HE2 LYS 67 -12.108 1.488 -11.237 551 HZ1 LYS 67 HZ1 LYS 67 -9.906 3.133 -12.282 552 HZ2 LYS 67 HZ2 LYS 67 -11.334 3.617 -11.516 553 HZ3 LYS 67 HZ3 LYS 67 -11.374 3.084 -13.121 554 H ASN 68 H ASN 68 -5.344 -1.615 -11.717 555 HA ASN 68 HA ASN 68 -4.478 -3.330 -9.518 556 HB2 ASN 68 HB3 ASN 68 -6.668 -4.142 -10.749 557 HB3 ASN 68 HB2 ASN 68 -5.521 -4.685 -11.971 558 HD21 ASN 68 HD22 ASN 68 -5.778 -6.840 -11.665 559 HD22 ASN 68 HD21 ASN 68 -5.326 -7.668 -10.218 560 H VAL 69 H VAL 69 -2.407 -3.901 -9.726 561 HA VAL 69 HA VAL 69 -1.188 -3.836 -12.405 562 HB VAL 69 HB VAL 69 0.259 -2.885 -9.939 563 HG11 VAL 69 HG11 VAL 69 1.412 -3.703 -12.115 564 HG12 VAL 69 HG12 VAL 69 1.949 -2.202 -11.363 565 HG13 VAL 69 HG13 VAL 69 0.886 -2.152 -12.770 566 HG21 VAL 69 HG21 VAL 69 -1.469 -1.355 -11.848 567 HG22 VAL 69 HG22 VAL 69 -0.096 -0.580 -11.056 568 HG23 VAL 69 HG23 VAL 69 -1.401 -1.267 -10.088 569 HA PRO 70 HA PRO 70 -0.520 -8.064 -10.686 570 HB2 PRO 70 HB2 PRO 70 0.468 -8.265 -13.496 571 HB3 PRO 70 HB3 PRO 70 -0.549 -9.382 -12.579 572 HG2 PRO 70 HG3 PRO 70 -1.615 -7.790 -14.424 573 HG3 PRO 70 HG2 PRO 70 -2.466 -8.116 -12.904 574 HD2 PRO 70 HD3 PRO 70 -0.999 -5.670 -13.771 575 HD3 PRO 70 HD2 PRO 70 -2.443 -5.821 -12.751 576 H ARG 71 H ARG 71 1.514 -9.511 -11.019 577 HA ARG 71 HA ARG 71 3.773 -7.954 -10.175 578 HB2 ARG 71 HB3 ARG 71 3.244 -10.142 -9.168 579 HB3 ARG 71 HB2 ARG 71 3.554 -10.921 -10.714 580 HG2 ARG 71 HG3 ARG 71 5.591 -11.256 -9.835 581 HG3 ARG 71 HG2 ARG 71 5.876 -9.602 -10.377 582 HD2 ARG 71 HD3 ARG 71 6.616 -9.666 -8.144 583 HD3 ARG 71 HD2 ARG 71 5.046 -8.866 -8.096 584 HE ARG 71 HE ARG 71 4.503 -11.514 -7.662 585 HH11 ARG 71 HH11 ARG 71 6.508 -9.106 -6.126 586 HH12 ARG 71 HH12 ARG 71 6.368 -9.812 -4.551 587 HH21 ARG 71 HH22 ARG 71 4.314 -12.443 -5.593 588 HH22 ARG 71 HH21 ARG 71 5.122 -11.707 -4.248 589 H LYS 72 H LYS 72 4.697 -6.782 -11.768 590 HA LYS 72 HA LYS 72 6.367 -8.060 -13.645 591 HB2 LYS 72 HB3 LYS 72 3.770 -7.958 -14.541 592 HB3 LYS 72 HB2 LYS 72 4.462 -6.504 -15.246 593 HG2 LYS 72 HG3 LYS 72 5.672 -9.245 -15.524 594 HG3 LYS 72 HG2 LYS 72 4.572 -8.520 -16.699 595 HD2 LYS 72 HD3 LYS 72 6.840 -6.823 -15.922 596 HD3 LYS 72 HD2 LYS 72 7.282 -8.304 -16.776 597 HE2 LYS 72 HE3 LYS 72 5.220 -6.328 -17.745 598 HE3 LYS 72 HE2 LYS 72 6.906 -6.339 -18.263 599 HZ1 LYS 72 HZ1 LYS 72 6.236 -8.866 -18.730 600 HZ2 LYS 72 HZ2 LYS 72 6.076 -7.638 -19.884 601 HZ3 LYS 72 HZ3 LYS 72 4.734 -8.129 -18.980 602 H ASP 73 H ASP 73 4.427 -5.065 -13.528 603 HA ASP 73 HA ASP 73 6.951 -3.547 -13.471 604 HB2 ASP 73 HB3 ASP 73 4.499 -3.113 -15.148 605 HB3 ASP 73 HB2 ASP 73 5.533 -1.754 -14.720 606 H THR 74 H THR 74 5.145 -4.431 -11.311 607 HA THR 74 HA THR 74 4.013 -1.891 -10.392 608 HB THR 74 HB THR 74 2.604 -3.928 -10.292 609 HG1 THR 74 HG1 THR 74 1.757 -3.348 -8.412 610 HG21 THR 74 HG21 THR 74 3.490 -5.844 -9.626 611 HG22 THR 74 HG22 THR 74 3.450 -5.197 -7.985 612 HG23 THR 74 HG23 THR 74 4.910 -5.037 -8.962 613 H HIS 75 H HIS 75 6.888 -3.549 -10.155 614 HA HIS 75 HA HIS 75 7.443 -2.969 -7.383 615 HB2 HIS 75 HB3 HIS 75 9.707 -3.829 -7.908 616 HB3 HIS 75 HB2 HIS 75 8.431 -4.953 -8.364 617 HD1 HIS 75 HD1 HIS 75 11.238 -2.994 -9.735 618 HD2 HIS 75 HD2 HIS 75 8.008 -5.164 -11.191 619 HE1 HIS 75 HE1 HIS 75 11.724 -3.368 -12.174 620 HE2 HIS 75 HE2 HIS 75 9.717 -4.613 -13.052 621 H LEU 76 H LEU 76 7.177 -0.999 -9.961 622 HA LEU 76 HA LEU 76 9.476 0.675 -9.232 623 HB2 LEU 76 HB3 LEU 76 7.783 0.447 -11.686 624 HB3 LEU 76 HB2 LEU 76 8.620 1.952 -11.354 625 HG LEU 76 HG LEU 76 10.280 -0.490 -11.217 626 HD11 LEU 76 HD11 LEU 76 9.411 -1.287 -13.143 627 HD12 LEU 76 HD12 LEU 76 10.467 -0.067 -13.854 628 HD13 LEU 76 HD13 LEU 76 8.753 0.276 -13.625 629 HD21 LEU 76 HD21 LEU 76 11.590 1.354 -10.998 630 HD22 LEU 76 HD22 LEU 76 10.527 2.365 -11.975 631 HD23 LEU 76 HD23 LEU 76 11.614 1.218 -12.757 632 H TYR 77 H TYR 77 6.568 0.334 -8.048 633 HA TYR 77 HA TYR 77 6.026 3.225 -7.890 634 HB2 TYR 77 HB3 TYR 77 4.080 0.916 -7.747 635 HB3 TYR 77 HB2 TYR 77 3.656 2.592 -7.413 636 HD1 TYR 77 HD1 TYR 77 4.676 4.210 -9.423 637 HD2 TYR 77 HD2 TYR 77 3.362 0.183 -9.804 638 HE1 TYR 77 HE1 TYR 77 4.251 4.583 -11.816 639 HE2 TYR 77 HE2 TYR 77 2.933 0.543 -12.199 640 HH TYR 77 HH TYR 77 4.014 3.352 -13.857 641 H ILE 78 H ILE 78 6.565 0.277 -6.149 642 HA ILE 78 HA ILE 78 6.839 1.767 -3.685 643 HB ILE 78 HB ILE 78 4.468 1.188 -3.619 644 HG12 ILE 78 HG13 ILE 78 6.102 -0.520 -1.727 645 HG13 ILE 78 HG12 ILE 78 5.772 1.198 -1.521 646 HG21 ILE 78 HG21 ILE 78 5.489 -1.426 -4.482 647 HG22 ILE 78 HG22 ILE 78 3.932 -0.654 -4.784 648 HG23 ILE 78 HG23 ILE 78 4.224 -1.482 -3.255 649 HD11 ILE 78 HD11 ILE 78 3.440 -0.591 -1.839 650 HD12 ILE 78 HD12 ILE 78 3.647 0.843 -0.834 651 HD13 ILE 78 HD13 ILE 78 4.347 -0.696 -0.329 652 H ALA 79 H ALA 79 8.197 0.787 -2.210 653 HA ALA 79 HA ALA 79 9.172 -1.908 -2.807 654 HB1 ALA 79 HB1 ALA 79 11.245 0.109 -2.155 655 HB2 ALA 79 HB2 ALA 79 10.583 0.119 -3.789 656 HB3 ALA 79 HB3 ALA 79 11.346 -1.339 -3.156 657 HA PRO 80 HA PRO 80 9.006 -2.255 1.600 658 HB2 PRO 80 HB2 PRO 80 10.604 -4.400 1.978 659 HB3 PRO 80 HB3 PRO 80 9.000 -4.533 1.246 660 HG2 PRO 80 HG3 PRO 80 11.684 -4.450 -0.078 661 HG3 PRO 80 HG2 PRO 80 10.297 -5.498 -0.428 662 HD2 PRO 80 HD3 PRO 80 10.885 -3.287 -1.894 663 HD3 PRO 80 HD2 PRO 80 9.228 -3.880 -1.665 664 H LYS 81 H LYS 81 9.977 -0.610 2.658 665 HA LYS 81 HA LYS 81 12.869 -0.302 2.557 666 HB2 LYS 81 HB3 LYS 81 10.798 1.505 2.710 667 HB3 LYS 81 HB2 LYS 81 11.386 1.465 4.367 668 HG2 LYS 81 HG3 LYS 81 13.397 1.724 2.204 669 HG3 LYS 81 HG2 LYS 81 12.372 3.118 2.549 670 HD2 LYS 81 HD3 LYS 81 13.480 1.820 4.932 671 HD3 LYS 81 HD2 LYS 81 14.693 2.511 3.854 672 HE2 LYS 81 HE3 LYS 81 14.238 4.342 5.138 673 HE3 LYS 81 HE2 LYS 81 13.031 4.563 3.873 674 HZ1 LYS 81 HZ1 LYS 81 11.439 3.386 5.352 675 HZ2 LYS 81 HZ2 LYS 81 11.975 4.870 5.962 676 HZ3 LYS 81 HZ3 LYS 81 12.603 3.424 6.578 677 H THR 82 H THR 82 13.541 -2.142 3.710 678 HA THR 82 HA THR 82 13.104 -1.948 6.615 679 HB THR 82 HB THR 82 13.572 -4.586 6.355 680 HG1 THR 82 HG1 THR 82 13.522 -4.266 4.001 681 HG21 THR 82 HG21 THR 82 11.346 -5.000 6.819 682 HG22 THR 82 HG22 THR 82 10.786 -3.644 5.840 683 HG23 THR 82 HG23 THR 82 11.572 -3.346 7.389 684 H LYS 83 H LYS 83 14.943 -1.523 7.623 685 HA LYS 83 HA LYS 83 17.367 -2.947 6.933 686 HB2 LYS 83 HB3 LYS 83 16.988 -0.039 6.403 687 HB3 LYS 83 HB2 LYS 83 18.550 -0.573 7.008 688 HG2 LYS 83 HG3 LYS 83 17.196 -1.639 4.539 689 HG3 LYS 83 HG2 LYS 83 18.480 -0.428 4.560 690 HD2 LYS 83 HD3 LYS 83 19.907 -2.113 5.761 691 HD3 LYS 83 HD2 LYS 83 18.646 -3.305 5.440 692 HE2 LYS 83 HE3 LYS 83 18.888 -2.868 3.026 693 HE3 LYS 83 HE2 LYS 83 20.195 -1.738 3.381 694 HZ1 LYS 83 HZ1 LYS 83 20.182 -4.656 3.484 695 HZ2 LYS 83 HZ2 LYS 83 21.116 -3.849 4.641 696 HZ3 LYS 83 HZ3 LYS 83 21.406 -3.597 2.993 697 H GLU 84 H GLU 84 18.868 -3.014 8.601 698 HA GLU 84 HA GLU 84 18.332 -1.477 11.021 699 HB2 GLU 84 HB3 GLU 84 17.992 -4.420 10.743 700 HB3 GLU 84 HB2 GLU 84 18.739 -3.828 12.221 701 HG2 GLU 84 HG3 GLU 84 16.147 -2.707 11.230 702 HG3 GLU 84 HG2 GLU 84 16.207 -4.182 12.193 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -3.717 7.941 -6.658 2 H2 MET 1 H2 MET 1 -5.329 8.385 -6.277 3 H3 MET 1 H3 MET 1 -4.987 7.590 -7.759 4 HA MET 1 HA MET 1 -5.858 5.955 -6.456 5 HB2 MET 1 HB3 MET 1 -3.065 6.008 -7.082 6 HB3 MET 1 HB2 MET 1 -3.285 5.099 -5.595 7 HG2 MET 1 HG3 MET 1 -3.337 3.680 -7.591 8 HG3 MET 1 HG2 MET 1 -4.842 3.617 -6.676 9 HE1 MET 1 HE1 MET 1 -6.540 2.789 -8.494 10 HE2 MET 1 HE2 MET 1 -7.400 4.132 -9.249 11 HE3 MET 1 HE3 MET 1 -7.075 4.155 -7.515 12 H ARG 2 H ARG 2 -5.299 4.557 -4.370 13 HA ARG 2 HA ARG 2 -4.767 6.291 -2.078 14 HB2 ARG 2 HB3 ARG 2 -7.217 4.536 -2.138 15 HB3 ARG 2 HB2 ARG 2 -6.785 5.749 -0.942 16 HG2 ARG 2 HG3 ARG 2 -8.265 7.001 -2.073 17 HG3 ARG 2 HG2 ARG 2 -6.893 7.286 -3.147 18 HD2 ARG 2 HD3 ARG 2 -8.478 6.652 -4.671 19 HD3 ARG 2 HD2 ARG 2 -7.756 5.087 -4.298 20 HE ARG 2 HE ARG 2 -9.725 4.445 -3.314 21 HH11 ARG 2 HH11 ARG 2 -9.771 7.900 -3.804 22 HH12 ARG 2 HH12 ARG 2 -11.442 8.063 -3.380 23 HH21 ARG 2 HH22 ARG 2 -11.923 4.658 -2.758 24 HH22 ARG 2 HH21 ARG 2 -12.664 6.223 -2.787 25 H ILE 3 H ILE 3 -4.247 5.167 -0.147 26 HA ILE 3 HA ILE 3 -2.559 3.011 -0.375 27 HB ILE 3 HB ILE 3 -2.654 4.440 1.603 28 HG12 ILE 3 HG13 ILE 3 -1.872 1.917 1.565 29 HG13 ILE 3 HG12 ILE 3 -1.893 2.833 3.065 30 HG21 ILE 3 HG21 ILE 3 -4.377 4.250 3.264 31 HG22 ILE 3 HG22 ILE 3 -5.176 2.971 2.349 32 HG23 ILE 3 HG23 ILE 3 -5.116 4.611 1.706 33 HD11 ILE 3 HD11 ILE 3 -2.797 0.697 3.520 34 HD12 ILE 3 HD12 ILE 3 -3.882 0.781 2.135 35 HD13 ILE 3 HD13 ILE 3 -4.146 1.830 3.526 36 H ASP 4 H ASP 4 -6.038 2.989 0.119 37 HA ASP 4 HA ASP 4 -6.390 0.321 0.828 38 HB2 ASP 4 HB3 ASP 4 -8.671 0.608 -0.305 39 HB3 ASP 4 HB2 ASP 4 -8.283 1.717 1.006 40 H LYS 5 H LYS 5 -6.457 1.779 -2.420 41 HA LYS 5 HA LYS 5 -6.423 -0.865 -3.633 42 HB2 LYS 5 HB3 LYS 5 -7.803 1.202 -4.407 43 HB3 LYS 5 HB2 LYS 5 -6.302 1.702 -5.173 44 HG2 LYS 5 HG3 LYS 5 -6.335 -0.689 -6.192 45 HG3 LYS 5 HG2 LYS 5 -8.051 -0.635 -5.785 46 HD2 LYS 5 HD3 LYS 5 -7.468 1.826 -7.007 47 HD3 LYS 5 HD2 LYS 5 -6.655 0.596 -7.979 48 HE2 LYS 5 HE3 LYS 5 -8.668 -0.547 -8.403 49 HE3 LYS 5 HE2 LYS 5 -9.522 0.316 -7.125 50 HZ1 LYS 5 HZ1 LYS 5 -10.261 1.517 -8.862 51 HZ2 LYS 5 HZ2 LYS 5 -8.941 1.137 -9.851 52 HZ3 LYS 5 HZ3 LYS 5 -8.797 2.344 -8.675 53 H PHE 6 H PHE 6 -4.094 1.227 -2.490 54 HA PHE 6 HA PHE 6 -2.205 0.930 -4.641 55 HB2 PHE 6 HB3 PHE 6 -2.406 2.867 -2.917 56 HB3 PHE 6 HB2 PHE 6 -1.435 1.819 -1.887 57 HD1 PHE 6 HD1 PHE 6 0.868 1.323 -2.432 58 HD2 PHE 6 HD2 PHE 6 -1.482 3.856 -4.918 59 HE1 PHE 6 HE1 PHE 6 2.909 2.097 -3.566 60 HE2 PHE 6 HE2 PHE 6 0.555 4.635 -6.056 61 HZ PHE 6 HZ PHE 6 2.754 3.754 -5.381 62 H LEU 7 H LEU 7 -1.833 0.019 -1.197 63 HA LEU 7 HA LEU 7 0.184 -1.888 -1.864 64 HB2 LEU 7 HB3 LEU 7 0.197 -2.420 0.523 65 HB3 LEU 7 HB2 LEU 7 0.300 -0.696 0.227 66 HG LEU 7 HG LEU 7 -2.224 -0.637 0.671 67 HD11 LEU 7 HD11 LEU 7 -2.840 -2.520 2.315 68 HD12 LEU 7 HD12 LEU 7 -1.534 -3.419 1.544 69 HD13 LEU 7 HD13 LEU 7 -2.904 -2.860 0.587 70 HD21 LEU 7 HD21 LEU 7 -1.726 -0.925 3.222 71 HD22 LEU 7 HD22 LEU 7 -0.959 0.373 2.307 72 HD23 LEU 7 HD23 LEU 7 -0.059 -1.099 2.673 73 H GLN 8 H GLN 8 -3.175 -2.025 -1.888 74 HA GLN 8 HA GLN 8 -3.323 -4.867 -1.295 75 HB2 GLN 8 HB3 GLN 8 -5.453 -2.901 -2.138 76 HB3 GLN 8 HB2 GLN 8 -5.746 -4.564 -1.643 77 HG2 GLN 8 HG3 GLN 8 -4.646 -3.943 0.557 78 HG3 GLN 8 HG2 GLN 8 -4.770 -2.266 0.026 79 HE21 GLN 8 HE22 GLN 8 -6.040 -3.744 2.261 80 HE22 GLN 8 HE21 GLN 8 -7.737 -3.485 2.072 81 H SER 9 H SER 9 -3.078 -2.762 -4.017 82 HA SER 9 HA SER 9 -4.041 -4.738 -5.910 83 HB2 SER 9 HB3 SER 9 -2.961 -1.938 -6.184 84 HB3 SER 9 HB2 SER 9 -3.264 -2.960 -7.586 85 HG SER 9 HG SER 9 -5.167 -2.203 -5.621 86 H VAL 10 H VAL 10 -0.970 -3.236 -4.989 87 HA VAL 10 HA VAL 10 0.744 -4.194 -6.882 88 HB VAL 10 HB VAL 10 2.439 -4.420 -4.940 89 HG11 VAL 10 HG11 VAL 10 1.045 -1.976 -5.907 90 HG12 VAL 10 HG12 VAL 10 2.710 -2.504 -6.158 91 HG13 VAL 10 HG13 VAL 10 2.227 -1.814 -4.608 92 HG21 VAL 10 HG21 VAL 10 0.644 -4.719 -3.218 93 HG22 VAL 10 HG22 VAL 10 0.227 -3.022 -3.447 94 HG23 VAL 10 HG23 VAL 10 1.823 -3.463 -2.843 95 H GLY 11 H GLY 11 -0.574 -5.994 -4.134 96 HA2 GLY 11 HA3 GLY 11 -0.894 -8.430 -4.960 97 HA3 GLY 11 HA2 GLY 11 0.860 -8.391 -5.055 98 H LEU 12 H LEU 12 0.702 -6.547 -2.571 99 HA LEU 12 HA LEU 12 1.474 -8.323 -0.643 100 HB2 LEU 12 HB3 LEU 12 0.712 -5.561 -0.743 101 HB3 LEU 12 HB2 LEU 12 0.058 -6.283 0.715 102 HG LEU 12 HG LEU 12 2.966 -6.407 -0.082 103 HD11 LEU 12 HD11 LEU 12 1.392 -4.389 1.382 104 HD12 LEU 12 HD12 LEU 12 2.897 -4.224 0.477 105 HD13 LEU 12 HD13 LEU 12 2.922 -4.869 2.118 106 HD21 LEU 12 HD21 LEU 12 2.918 -6.848 2.558 107 HD22 LEU 12 HD22 LEU 12 2.826 -8.143 1.364 108 HD23 LEU 12 HD23 LEU 12 1.354 -7.537 2.123 109 H VAL 13 H VAL 13 -1.729 -6.762 -0.500 110 HA VAL 13 HA VAL 13 -2.797 -9.288 0.584 111 HB VAL 13 HB VAL 13 -4.528 -7.788 1.708 112 HG11 VAL 13 HG11 VAL 13 -2.627 -7.032 3.432 113 HG12 VAL 13 HG12 VAL 13 -1.702 -8.187 2.471 114 HG13 VAL 13 HG13 VAL 13 -3.181 -8.699 3.283 115 HG21 VAL 13 HG21 VAL 13 -3.971 -5.496 2.102 116 HG22 VAL 13 HG22 VAL 13 -3.933 -5.772 0.361 117 HG23 VAL 13 HG23 VAL 13 -2.426 -5.674 1.271 118 H LYS 14 H LYS 14 -3.150 -9.726 -1.763 119 HA LYS 14 HA LYS 14 -5.410 -8.266 -2.915 120 HB2 LYS 14 HB3 LYS 14 -4.890 -9.721 -4.938 121 HB3 LYS 14 HB2 LYS 14 -3.672 -8.534 -4.491 122 HG2 LYS 14 HG3 LYS 14 -2.296 -10.216 -3.501 123 HG3 LYS 14 HG2 LYS 14 -3.561 -11.432 -3.688 124 HD2 LYS 14 HD3 LYS 14 -3.259 -10.512 -6.248 125 HD3 LYS 14 HD2 LYS 14 -1.609 -10.430 -5.626 126 HE2 LYS 14 HE3 LYS 14 -1.686 -12.760 -4.999 127 HE3 LYS 14 HE2 LYS 14 -3.382 -12.863 -5.467 128 HZ1 LYS 14 HZ1 LYS 14 -1.001 -12.898 -7.119 129 HZ2 LYS 14 HZ2 LYS 14 -2.283 -11.979 -7.728 130 HZ3 LYS 14 HZ3 LYS 14 -2.509 -13.618 -7.378 131 H ARG 15 H ARG 15 -7.081 -9.060 -1.612 132 HA ARG 15 HA ARG 15 -7.856 -11.827 -2.233 133 HB2 ARG 15 HB3 ARG 15 -6.966 -11.135 0.234 134 HB3 ARG 15 HB2 ARG 15 -8.682 -10.800 0.412 135 HG2 ARG 15 HG3 ARG 15 -9.274 -13.032 -0.020 136 HG3 ARG 15 HG2 ARG 15 -7.669 -13.418 -0.647 137 HD2 ARG 15 HD3 ARG 15 -6.702 -13.355 1.494 138 HD3 ARG 15 HD2 ARG 15 -8.096 -12.528 2.190 139 HE ARG 15 HE ARG 15 -9.129 -14.556 2.455 140 HH11 ARG 15 HH11 ARG 15 -6.389 -14.946 0.330 141 HH12 ARG 15 HH12 ARG 15 -6.486 -16.674 0.318 142 HH21 ARG 15 HH22 ARG 15 -9.259 -16.829 2.440 143 HH22 ARG 15 HH21 ARG 15 -8.115 -17.745 1.515 144 H ARG 16 H ARG 16 -10.135 -12.232 -2.188 145 HA ARG 16 HA ARG 16 -11.659 -10.018 -3.187 146 HB2 ARG 16 HB3 ARG 16 -13.496 -11.713 -3.348 147 HB3 ARG 16 HB2 ARG 16 -12.022 -12.160 -4.195 148 HG2 ARG 16 HG3 ARG 16 -11.974 -14.072 -3.090 149 HG3 ARG 16 HG2 ARG 16 -11.822 -13.189 -1.570 150 HD2 ARG 16 HD3 ARG 16 -13.843 -13.895 -0.980 151 HD3 ARG 16 HD2 ARG 16 -14.533 -13.035 -2.356 152 HE ARG 16 HE ARG 16 -14.101 -15.863 -2.117 153 HH11 ARG 16 HH11 ARG 16 -14.441 -13.211 -4.360 154 HH12 ARG 16 HH12 ARG 16 -14.968 -14.218 -5.666 155 HH21 ARG 16 HH22 ARG 16 -14.793 -17.190 -3.834 156 HH22 ARG 16 HH21 ARG 16 -15.167 -16.477 -5.368 157 H VAL 17 H VAL 17 -11.257 -8.872 -1.024 158 HA VAL 17 HA VAL 17 -13.125 -9.679 1.067 159 HB VAL 17 HB VAL 17 -10.879 -8.980 1.754 160 HG11 VAL 17 HG11 VAL 17 -11.507 -6.681 0.045 161 HG12 VAL 17 HG12 VAL 17 -9.950 -7.387 0.475 162 HG13 VAL 17 HG13 VAL 17 -10.748 -6.271 1.582 163 HG21 VAL 17 HG21 VAL 17 -12.614 -6.768 2.729 164 HG22 VAL 17 HG22 VAL 17 -11.567 -7.864 3.630 165 HG23 VAL 17 HG23 VAL 17 -13.124 -8.430 3.026 166 H LEU 18 H LEU 18 -14.755 -8.298 1.871 167 HA LEU 18 HA LEU 18 -16.054 -6.740 -0.166 168 HB2 LEU 18 HB3 LEU 18 -17.120 -8.260 1.643 169 HB3 LEU 18 HB2 LEU 18 -16.931 -6.873 2.699 170 HG LEU 18 HG LEU 18 -19.194 -7.047 1.712 171 HD11 LEU 18 HD11 LEU 18 -17.994 -4.861 2.331 172 HD12 LEU 18 HD12 LEU 18 -19.448 -4.765 1.338 173 HD13 LEU 18 HD13 LEU 18 -17.858 -4.612 0.590 174 HD21 LEU 18 HD21 LEU 18 -18.243 -6.114 -0.919 175 HD22 LEU 18 HD22 LEU 18 -19.613 -7.146 -0.504 176 HD23 LEU 18 HD23 LEU 18 -17.984 -7.821 -0.559 177 H ALA 19 H ALA 19 -15.233 -5.944 3.215 178 HA ALA 19 HA ALA 19 -14.801 -3.162 2.346 179 HB1 ALA 19 HB1 ALA 19 -15.395 -2.463 4.582 180 HB2 ALA 19 HB2 ALA 19 -15.530 -4.143 5.103 181 HB3 ALA 19 HB3 ALA 19 -16.669 -3.489 3.926 182 H THR 20 H THR 20 -13.029 -2.007 3.166 183 HA THR 20 HA THR 20 -10.711 -3.640 3.693 184 HB THR 20 HB THR 20 -10.972 -0.631 3.536 185 HG1 THR 20 HG1 THR 20 -10.083 -2.452 1.557 186 HG21 THR 20 HG21 THR 20 -8.455 -1.301 2.688 187 HG22 THR 20 HG22 THR 20 -8.701 -2.355 4.079 188 HG23 THR 20 HG23 THR 20 -8.873 -0.609 4.256 189 H ASP 21 H ASP 21 -10.237 -4.321 5.666 190 HA ASP 21 HA ASP 21 -11.159 -2.815 7.990 191 HB2 ASP 21 HB3 ASP 21 -10.048 -5.592 7.629 192 HB3 ASP 21 HB2 ASP 21 -10.248 -4.872 9.223 193 H MET 22 H MET 22 -8.310 -3.307 6.163 194 HA MET 22 HA MET 22 -6.272 -3.138 8.012 195 HB2 MET 22 HB3 MET 22 -6.085 -3.427 5.503 196 HB3 MET 22 HB2 MET 22 -6.274 -1.684 5.368 197 HG2 MET 22 HG3 MET 22 -4.045 -1.667 5.438 198 HG3 MET 22 HG2 MET 22 -4.277 -1.834 7.178 199 HE1 MET 22 HE1 MET 22 -4.382 -3.641 3.975 200 HE2 MET 22 HE2 MET 22 -4.057 -5.326 4.382 201 HE3 MET 22 HE3 MET 22 -2.724 -4.243 3.982 202 H CYS 23 H CYS 23 -8.457 -0.650 6.918 203 HA CYS 23 HA CYS 23 -6.933 1.524 8.021 204 HB2 CYS 23 HB3 CYS 23 -8.902 2.893 7.464 205 HB3 CYS 23 HB2 CYS 23 -8.393 1.901 6.101 206 HG CYS 23 HG CYS 23 -10.437 0.299 6.695 207 H ASN 24 H ASN 24 -8.977 -0.831 9.333 208 HA ASN 24 HA ASN 24 -9.742 0.871 11.593 209 HB2 ASN 24 HB3 ASN 24 -11.253 -0.904 10.227 210 HB3 ASN 24 HB2 ASN 24 -10.641 -1.951 11.504 211 HD21 ASN 24 HD22 ASN 24 -13.290 -1.493 11.350 212 HD22 ASN 24 HD21 ASN 24 -13.807 -0.480 12.651 213 H VAL 25 H VAL 25 -8.112 -2.190 10.853 214 HA VAL 25 HA VAL 25 -7.462 -2.944 13.461 215 HB VAL 25 HB VAL 25 -5.610 -4.249 12.451 216 HG11 VAL 25 HG11 VAL 25 -8.027 -4.547 10.705 217 HG12 VAL 25 HG12 VAL 25 -8.100 -4.901 12.431 218 HG13 VAL 25 HG13 VAL 25 -6.991 -5.797 11.394 219 HG21 VAL 25 HG21 VAL 25 -5.734 -4.178 9.822 220 HG22 VAL 25 HG22 VAL 25 -4.696 -3.065 10.714 221 HG23 VAL 25 HG23 VAL 25 -6.264 -2.522 10.115 222 H GLY 26 H GLY 26 -5.879 -0.705 11.256 223 HA2 GLY 26 HA3 GLY 26 -4.689 1.175 12.254 224 HA3 GLY 26 HA2 GLY 26 -4.081 0.061 13.470 225 H ALA 27 H ALA 27 -4.226 -0.893 10.130 226 HA ALA 27 HA ALA 27 -1.305 -1.026 10.085 227 HB1 ALA 27 HB1 ALA 27 -1.854 -3.053 9.300 228 HB2 ALA 27 HB2 ALA 27 -2.125 -2.217 7.772 229 HB3 ALA 27 HB3 ALA 27 -3.482 -2.545 8.851 230 H VAL 28 H VAL 28 -3.997 0.539 8.506 231 HA VAL 28 HA VAL 28 -2.512 1.565 6.294 232 HB VAL 28 HB VAL 28 -5.118 2.581 7.437 233 HG11 VAL 28 HG11 VAL 28 -4.462 4.252 5.998 234 HG12 VAL 28 HG12 VAL 28 -5.357 3.195 4.906 235 HG13 VAL 28 HG13 VAL 28 -3.595 3.143 4.934 236 HG21 VAL 28 HG21 VAL 28 -6.276 1.060 6.138 237 HG22 VAL 28 HG22 VAL 28 -4.905 0.100 6.694 238 HG23 VAL 28 HG23 VAL 28 -4.906 0.776 5.064 239 H TRP 29 H TRP 29 -0.880 2.940 6.583 240 HA TRP 29 HA TRP 29 -1.351 5.343 8.185 241 HB2 TRP 29 HB3 TRP 29 0.863 3.361 8.571 242 HB3 TRP 29 HB2 TRP 29 1.154 5.065 8.903 243 HD1 TRP 29 HD1 TRP 29 -1.537 2.441 9.916 244 HE1 TRP 29 HE1 TRP 29 -2.101 2.817 12.399 245 HE3 TRP 29 HE3 TRP 29 1.494 6.452 10.839 246 HZ2 TRP 29 HZ2 TRP 29 -1.359 4.580 14.475 247 HZ3 TRP 29 HZ3 TRP 29 1.508 7.425 13.099 248 HH2 TRP 29 HH2 TRP 29 0.111 6.507 14.878 249 H LEU 30 H LEU 30 -1.196 6.924 6.741 250 HA LEU 30 HA LEU 30 0.769 6.713 4.579 251 HB2 LEU 30 HB3 LEU 30 -1.649 7.216 4.093 252 HB3 LEU 30 HB2 LEU 30 -1.427 8.754 4.904 253 HG LEU 30 HG LEU 30 0.284 9.373 3.231 254 HD11 LEU 30 HD11 LEU 30 1.215 7.401 2.452 255 HD12 LEU 30 HD12 LEU 30 0.198 7.907 1.103 256 HD13 LEU 30 HD13 LEU 30 -0.355 6.639 2.198 257 HD21 LEU 30 HD21 LEU 30 -2.389 9.526 3.000 258 HD22 LEU 30 HD22 LEU 30 -2.011 8.601 1.547 259 HD23 LEU 30 HD23 LEU 30 -1.268 10.180 1.805 260 H ASN 31 H ASN 31 2.665 7.667 4.847 261 HA ASN 31 HA ASN 31 4.293 9.112 5.502 262 HB2 ASN 31 HB3 ASN 31 2.523 10.681 4.373 263 HB3 ASN 31 HB2 ASN 31 2.236 11.232 6.021 264 HD21 ASN 31 HD22 ASN 31 4.437 11.172 3.361 265 HD22 ASN 31 HD21 ASN 31 5.567 12.314 3.995 266 H GLY 32 H GLY 32 3.288 7.415 7.477 267 HA2 GLY 32 HA3 GLY 32 3.473 7.098 9.744 268 HA3 GLY 32 HA2 GLY 32 4.284 8.655 9.813 269 H SER 33 H SER 33 0.972 7.783 8.859 270 HA SER 33 HA SER 33 -0.136 8.974 11.241 271 HB2 SER 33 HB3 SER 33 -0.815 10.245 8.585 272 HB3 SER 33 HB2 SER 33 -1.325 10.770 10.190 273 HG SER 33 HG SER 33 1.262 10.881 9.048 274 H CYS 34 H CYS 34 -2.071 8.106 11.725 275 HA CYS 34 HA CYS 34 -3.032 5.878 10.331 276 HB2 CYS 34 HB3 CYS 34 -5.057 6.126 11.804 277 HB3 CYS 34 HB2 CYS 34 -3.521 6.094 12.665 278 HG CYS 34 HG CYS 34 -4.038 8.917 12.407 279 H ALA 35 H ALA 35 -4.033 5.804 8.441 280 HA ALA 35 HA ALA 35 -5.841 8.018 7.718 281 HB1 ALA 35 HB1 ALA 35 -5.027 8.117 5.592 282 HB2 ALA 35 HB2 ALA 35 -4.560 6.417 5.572 283 HB3 ALA 35 HB3 ALA 35 -3.565 7.595 6.428 284 H LYS 36 H LYS 36 -7.813 7.513 6.862 285 HA LYS 36 HA LYS 36 -8.888 4.958 7.442 286 HB2 LYS 36 HB3 LYS 36 -9.918 7.474 6.942 287 HB3 LYS 36 HB2 LYS 36 -10.434 6.551 5.538 288 HG2 LYS 36 HG3 LYS 36 -11.590 4.979 6.892 289 HG3 LYS 36 HG2 LYS 36 -10.882 5.639 8.367 290 HD2 LYS 36 HD3 LYS 36 -12.355 7.573 6.712 291 HD3 LYS 36 HD2 LYS 36 -13.338 6.290 7.421 292 HE2 LYS 36 HE3 LYS 36 -11.941 6.925 9.580 293 HE3 LYS 36 HE2 LYS 36 -11.806 8.470 8.739 294 HZ1 LYS 36 HZ1 LYS 36 -14.431 7.166 9.080 295 HZ2 LYS 36 HZ2 LYS 36 -14.082 8.800 8.816 296 HZ3 LYS 36 HZ3 LYS 36 -13.768 8.102 10.323 297 H ALA 37 H ALA 37 -10.556 4.404 5.277 298 HA ALA 37 HA ALA 37 -8.621 3.217 3.436 299 HB1 ALA 37 HB1 ALA 37 -10.767 1.976 2.669 300 HB2 ALA 37 HB2 ALA 37 -11.449 2.588 4.176 301 HB3 ALA 37 HB3 ALA 37 -10.023 1.550 4.211 302 H SER 38 H SER 38 -9.449 6.072 3.323 303 HA SER 38 HA SER 38 -10.111 6.113 0.487 304 HB2 SER 38 HB3 SER 38 -11.593 7.995 2.299 305 HB3 SER 38 HB2 SER 38 -11.979 7.511 0.648 306 HG SER 38 HG SER 38 -12.436 6.164 3.058 307 H LYS 39 H LYS 39 -7.734 6.661 2.110 308 HA LYS 39 HA LYS 39 -7.427 9.556 1.873 309 HB2 LYS 39 HB3 LYS 39 -6.580 7.910 3.812 310 HB3 LYS 39 HB2 LYS 39 -5.169 7.844 2.766 311 HG2 LYS 39 HG3 LYS 39 -4.527 9.626 3.969 312 HG3 LYS 39 HG2 LYS 39 -5.567 10.504 2.846 313 HD2 LYS 39 HD3 LYS 39 -7.076 10.985 4.439 314 HD3 LYS 39 HD2 LYS 39 -6.987 9.369 5.141 315 HE2 LYS 39 HE3 LYS 39 -6.213 11.286 6.608 316 HE3 LYS 39 HE2 LYS 39 -5.106 9.925 6.442 317 HZ1 LYS 39 HZ1 LYS 39 -4.134 12.240 6.234 318 HZ2 LYS 39 HZ2 LYS 39 -4.892 12.322 4.723 319 HZ3 LYS 39 HZ3 LYS 39 -3.725 11.135 5.020 320 H GLU 40 H GLU 40 -6.825 10.315 -0.041 321 HA GLU 40 HA GLU 40 -5.726 8.795 -2.122 322 HB2 GLU 40 HB3 GLU 40 -6.882 11.169 -2.080 323 HB3 GLU 40 HB2 GLU 40 -5.221 11.736 -1.979 324 HG2 GLU 40 HG3 GLU 40 -4.713 10.446 -4.035 325 HG3 GLU 40 HG2 GLU 40 -6.426 10.045 -4.155 326 H VAL 41 H VAL 41 -3.725 8.130 -2.544 327 HA VAL 41 HA VAL 41 -1.557 9.035 -0.805 328 HB VAL 41 HB VAL 41 -0.284 7.130 -1.777 329 HG11 VAL 41 HG11 VAL 41 -2.933 6.638 -0.452 330 HG12 VAL 41 HG12 VAL 41 -1.328 6.683 0.277 331 HG13 VAL 41 HG13 VAL 41 -1.787 5.335 -0.764 332 HG21 VAL 41 HG21 VAL 41 -1.034 5.837 -3.462 333 HG22 VAL 41 HG22 VAL 41 -2.024 7.247 -3.841 334 HG23 VAL 41 HG23 VAL 41 -2.709 5.912 -2.915 335 H LYS 42 H LYS 42 0.528 9.572 -1.680 336 HA LYS 42 HA LYS 42 0.430 10.587 -4.445 337 HB2 LYS 42 HB3 LYS 42 1.224 11.953 -1.921 338 HB3 LYS 42 HB2 LYS 42 2.152 12.319 -3.369 339 HG2 LYS 42 HG3 LYS 42 -0.772 12.405 -3.684 340 HG3 LYS 42 HG2 LYS 42 -0.075 13.635 -2.628 341 HD2 LYS 42 HD3 LYS 42 1.333 13.195 -5.180 342 HD3 LYS 42 HD2 LYS 42 -0.286 13.887 -5.309 343 HE2 LYS 42 HE3 LYS 42 0.447 15.562 -3.552 344 HE3 LYS 42 HE2 LYS 42 2.087 14.970 -3.811 345 HZ1 LYS 42 HZ1 LYS 42 0.607 15.716 -6.198 346 HZ2 LYS 42 HZ2 LYS 42 2.232 15.979 -5.803 347 HZ3 LYS 42 HZ3 LYS 42 1.032 16.989 -5.169 348 H ALA 43 H ALA 43 2.731 11.112 -5.237 349 HA ALA 43 HA ALA 43 4.257 8.700 -5.066 350 HB1 ALA 43 HB1 ALA 43 4.003 10.085 -7.133 351 HB2 ALA 43 HB2 ALA 43 5.667 9.658 -6.736 352 HB3 ALA 43 HB3 ALA 43 5.067 11.280 -6.393 353 H GLY 44 H GLY 44 6.514 8.561 -4.485 354 HA2 GLY 44 HA3 GLY 44 8.253 8.837 -3.013 355 HA3 GLY 44 HA2 GLY 44 7.957 10.563 -3.166 356 H ASP 45 H ASP 45 5.506 8.386 -1.979 357 HA ASP 45 HA ASP 45 5.708 9.688 0.645 358 HB2 ASP 45 HB3 ASP 45 3.461 8.638 -0.980 359 HB3 ASP 45 HB2 ASP 45 3.333 8.417 0.763 360 H THR 46 H THR 46 5.011 8.291 2.524 361 HA THR 46 HA THR 46 6.377 5.702 2.311 362 HB THR 46 HB THR 46 5.719 7.352 4.760 363 HG1 THR 46 HG1 THR 46 7.425 8.386 4.129 364 HG21 THR 46 HG21 THR 46 7.816 5.581 5.287 365 HG22 THR 46 HG22 THR 46 6.544 4.625 4.525 366 HG23 THR 46 HG23 THR 46 6.191 5.570 5.971 367 H ILE 47 H ILE 47 5.338 3.832 2.663 368 HA ILE 47 HA ILE 47 2.519 3.976 3.512 369 HB ILE 47 HB ILE 47 3.797 1.929 1.694 370 HG12 ILE 47 HG13 ILE 47 3.545 4.169 0.661 371 HG13 ILE 47 HG12 ILE 47 2.514 2.959 -0.095 372 HG21 ILE 47 HG21 ILE 47 1.954 1.050 3.079 373 HG22 ILE 47 HG22 ILE 47 1.560 1.073 1.359 374 HG23 ILE 47 HG23 ILE 47 0.898 2.306 2.432 375 HD11 ILE 47 HD11 ILE 47 1.803 5.438 1.149 376 HD12 ILE 47 HD12 ILE 47 0.970 4.098 1.934 377 HD13 ILE 47 HD13 ILE 47 0.812 4.337 0.193 378 H SER 48 H SER 48 2.599 3.494 5.642 379 HA SER 48 HA SER 48 4.331 1.395 6.630 380 HB2 SER 48 HB3 SER 48 3.003 3.670 7.749 381 HB3 SER 48 HB2 SER 48 2.515 2.234 8.648 382 HG SER 48 HG SER 48 5.053 3.376 8.346 383 H LEU 49 H LEU 49 3.624 -0.485 7.704 384 HA LEU 49 HA LEU 49 0.817 -1.237 7.395 385 HB2 LEU 49 HB3 LEU 49 3.126 -2.474 5.996 386 HB3 LEU 49 HB2 LEU 49 1.912 -3.562 6.642 387 HG LEU 49 HG LEU 49 1.200 -1.271 4.824 388 HD11 LEU 49 HD11 LEU 49 2.007 -4.082 4.113 389 HD12 LEU 49 HD12 LEU 49 2.716 -2.571 3.542 390 HD13 LEU 49 HD13 LEU 49 1.090 -3.029 3.035 391 HD21 LEU 49 HD21 LEU 49 -0.399 -2.777 6.376 392 HD22 LEU 49 HD22 LEU 49 -0.344 -3.782 4.927 393 HD23 LEU 49 HD23 LEU 49 -0.896 -2.110 4.821 394 H HIS 50 H HIS 50 0.071 -2.385 9.080 395 HA HIS 50 HA HIS 50 1.948 -3.036 11.207 396 HB2 HIS 50 HB3 HIS 50 -0.121 -1.763 11.714 397 HB3 HIS 50 HB2 HIS 50 -1.075 -3.155 11.209 398 HD1 HIS 50 HD1 HIS 50 1.824 -2.684 13.647 399 HD2 HIS 50 HD2 HIS 50 -1.906 -4.496 13.390 400 HE1 HIS 50 HE1 HIS 50 1.470 -3.811 15.866 401 HE2 HIS 50 HE2 HIS 50 -0.829 -4.828 15.718 402 H TYR 51 H TYR 51 2.624 -5.026 11.649 403 HA TYR 51 HA TYR 51 1.020 -7.318 10.778 404 HB2 TYR 51 HB3 TYR 51 3.824 -6.674 9.963 405 HB3 TYR 51 HB2 TYR 51 3.378 -8.361 10.200 406 HD1 TYR 51 HD1 TYR 51 2.166 -5.298 8.439 407 HD2 TYR 51 HD2 TYR 51 2.522 -9.537 8.403 408 HE1 TYR 51 HE1 TYR 51 1.203 -5.354 6.177 409 HE2 TYR 51 HE2 TYR 51 1.561 -9.605 6.140 410 HH TYR 51 HH TYR 51 1.419 -7.909 4.149 411 H LEU 52 H LEU 52 2.405 -9.401 11.586 412 HA LEU 52 HA LEU 52 2.436 -9.111 14.459 413 HB2 LEU 52 HB3 LEU 52 3.186 -11.612 12.983 414 HB3 LEU 52 HB2 LEU 52 2.450 -11.452 14.566 415 HG LEU 52 HG LEU 52 1.045 -10.778 11.983 416 HD11 LEU 52 HD11 LEU 52 0.265 -13.147 13.562 417 HD12 LEU 52 HD12 LEU 52 1.759 -13.274 12.636 418 HD13 LEU 52 HD13 LEU 52 0.246 -12.885 11.819 419 HD21 LEU 52 HD21 LEU 52 -0.769 -10.230 13.208 420 HD22 LEU 52 HD22 LEU 52 0.439 -9.890 14.448 421 HD23 LEU 52 HD23 LEU 52 -0.425 -11.428 14.454 422 H LYS 53 H LYS 53 4.753 -10.029 11.932 423 HA LYS 53 HA LYS 53 6.945 -10.409 13.682 424 HB2 LYS 53 HB3 LYS 53 8.307 -10.140 11.557 425 HB3 LYS 53 HB2 LYS 53 7.098 -11.417 11.547 426 HG2 LYS 53 HG3 LYS 53 5.716 -10.279 10.083 427 HG3 LYS 53 HG2 LYS 53 6.432 -8.712 10.466 428 HD2 LYS 53 HD3 LYS 53 8.458 -10.439 9.420 429 HD3 LYS 53 HD2 LYS 53 7.068 -10.452 8.331 430 HE2 LYS 53 HE3 LYS 53 7.415 -8.336 7.675 431 HE3 LYS 53 HE2 LYS 53 7.787 -7.791 9.309 432 HZ1 LYS 53 HZ1 LYS 53 10.014 -8.489 9.086 433 HZ2 LYS 53 HZ2 LYS 53 9.652 -7.657 7.658 434 HZ3 LYS 53 HZ3 LYS 53 9.698 -9.347 7.664 435 H GLY 54 H GLY 54 5.535 -7.597 12.201 436 HA2 GLY 54 HA3 GLY 54 6.443 -5.661 13.799 437 HA3 GLY 54 HA2 GLY 54 7.849 -5.930 12.780 438 H ILE 55 H ILE 55 7.744 -3.848 11.908 439 HA ILE 55 HA ILE 55 5.434 -3.346 10.146 440 HB ILE 55 HB ILE 55 7.366 -1.268 11.167 441 HG12 ILE 55 HG13 ILE 55 6.165 -2.262 13.060 442 HG13 ILE 55 HG12 ILE 55 5.610 -0.618 12.761 443 HG21 ILE 55 HG21 ILE 55 5.005 -1.269 9.406 444 HG22 ILE 55 HG22 ILE 55 6.402 -0.194 9.435 445 HG23 ILE 55 HG23 ILE 55 5.086 0.039 10.586 446 HD11 ILE 55 HD11 ILE 55 3.805 -2.237 13.285 447 HD12 ILE 55 HD12 ILE 55 4.186 -3.077 11.782 448 HD13 ILE 55 HD13 ILE 55 3.606 -1.411 11.740 449 H GLU 56 H GLU 56 5.763 -3.129 8.009 450 HA GLU 56 HA GLU 56 8.404 -3.675 6.971 451 HB2 GLU 56 HB3 GLU 56 5.646 -3.562 5.848 452 HB3 GLU 56 HB2 GLU 56 6.995 -3.348 4.741 453 HG2 GLU 56 HG3 GLU 56 6.809 -5.588 4.588 454 HG3 GLU 56 HG2 GLU 56 7.853 -5.527 6.008 455 H GLU 57 H GLU 57 5.987 -1.090 6.577 456 HA GLU 57 HA GLU 57 6.182 1.103 6.012 457 HB2 GLU 57 HB3 GLU 57 7.911 0.849 7.948 458 HB3 GLU 57 HB2 GLU 57 9.106 1.017 6.669 459 HG2 GLU 57 HG3 GLU 57 8.106 3.169 6.041 460 HG3 GLU 57 HG2 GLU 57 6.953 3.003 7.363 461 H TYR 58 H TYR 58 5.835 0.762 3.806 462 HA TYR 58 HA TYR 58 8.155 0.397 2.081 463 HB2 TYR 58 HB3 TYR 58 5.223 0.620 1.368 464 HB3 TYR 58 HB2 TYR 58 6.523 0.190 0.263 465 HD1 TYR 58 HD1 TYR 58 4.896 -0.933 3.426 466 HD2 TYR 58 HD2 TYR 58 7.058 -2.047 -0.066 467 HE1 TYR 58 HE1 TYR 58 4.591 -3.305 4.000 468 HE2 TYR 58 HE2 TYR 58 6.757 -4.421 0.499 469 HH TYR 58 HH TYR 58 4.769 -5.700 2.078 470 H THR 59 H THR 59 7.828 1.772 -0.092 471 HA THR 59 HA THR 59 7.192 4.549 0.555 472 HB THR 59 HB THR 59 9.870 3.676 -0.548 473 HG1 THR 59 HG1 THR 59 10.679 4.343 1.396 474 HG21 THR 59 HG21 THR 59 8.978 6.451 0.188 475 HG22 THR 59 HG22 THR 59 9.081 5.838 -1.462 476 HG23 THR 59 HG23 THR 59 10.538 5.967 -0.476 477 H ILE 60 H ILE 60 6.017 5.394 -1.029 478 HA ILE 60 HA ILE 60 5.661 4.012 -3.510 479 HB ILE 60 HB ILE 60 4.673 6.768 -2.773 480 HG12 ILE 60 HG13 ILE 60 2.827 4.471 -2.626 481 HG13 ILE 60 HG12 ILE 60 4.084 4.492 -1.393 482 HG21 ILE 60 HG21 ILE 60 4.282 4.974 -5.064 483 HG22 ILE 60 HG22 ILE 60 4.110 6.725 -4.947 484 HG23 ILE 60 HG23 ILE 60 2.804 5.673 -4.402 485 HD11 ILE 60 HD11 ILE 60 3.202 6.275 -0.338 486 HD12 ILE 60 HD12 ILE 60 1.724 5.705 -1.112 487 HD13 ILE 60 HD13 ILE 60 2.645 7.025 -1.833 488 H LEU 61 H LEU 61 6.814 4.238 -5.301 489 HA LEU 61 HA LEU 61 8.774 6.371 -5.493 490 HB2 LEU 61 HB3 LEU 61 8.257 4.064 -7.368 491 HB3 LEU 61 HB2 LEU 61 9.643 5.137 -7.402 492 HG LEU 61 HG LEU 61 8.978 3.194 -5.189 493 HD11 LEU 61 HD11 LEU 61 10.545 1.760 -6.038 494 HD12 LEU 61 HD12 LEU 61 11.417 3.037 -6.886 495 HD13 LEU 61 HD13 LEU 61 9.890 2.433 -7.530 496 HD21 LEU 61 HD21 LEU 61 11.423 3.832 -4.584 497 HD22 LEU 61 HD22 LEU 61 10.099 4.888 -4.091 498 HD23 LEU 61 HD23 LEU 61 11.077 5.299 -5.501 499 H GLN 62 H GLN 62 5.656 5.606 -6.729 500 HA GLN 62 HA GLN 62 5.337 8.110 -7.965 501 HB2 GLN 62 HB3 GLN 62 6.802 6.468 -9.576 502 HB3 GLN 62 HB2 GLN 62 5.171 6.126 -10.135 503 HG2 GLN 62 HG3 GLN 62 4.810 8.338 -10.797 504 HG3 GLN 62 HG2 GLN 62 6.179 8.933 -9.858 505 HE21 GLN 62 HE22 GLN 62 7.985 9.309 -10.921 506 HE22 GLN 62 HE21 GLN 62 8.402 8.677 -12.473 507 H ILE 63 H ILE 63 3.296 8.047 -9.465 508 HA ILE 63 HA ILE 63 1.363 6.120 -8.352 509 HB ILE 63 HB ILE 63 0.742 9.014 -8.932 510 HG12 ILE 63 HG13 ILE 63 2.329 8.826 -7.053 511 HG13 ILE 63 HG12 ILE 63 0.745 9.373 -6.515 512 HG21 ILE 63 HG21 ILE 63 -1.389 8.585 -8.330 513 HG22 ILE 63 HG22 ILE 63 -0.922 7.387 -7.123 514 HG23 ILE 63 HG23 ILE 63 -0.970 6.947 -8.832 515 HD11 ILE 63 HD11 ILE 63 1.616 6.505 -6.361 516 HD12 ILE 63 HD12 ILE 63 0.240 7.272 -5.569 517 HD13 ILE 63 HD13 ILE 63 1.882 7.669 -5.063 518 HA PRO 64 HA PRO 64 1.221 5.779 -12.946 519 HB2 PRO 64 HB2 PRO 64 0.195 3.231 -12.867 520 HB3 PRO 64 HB3 PRO 64 1.920 3.608 -12.882 521 HG2 PRO 64 HG3 PRO 64 0.148 2.927 -10.571 522 HG3 PRO 64 HG2 PRO 64 1.809 2.403 -10.903 523 HD2 PRO 64 HD3 PRO 64 1.261 4.342 -9.124 524 HD3 PRO 64 HD2 PRO 64 2.722 4.385 -10.134 525 H ALA 65 H ALA 65 -1.106 5.561 -10.433 526 HA ALA 65 HA ALA 65 -3.347 5.939 -10.344 527 HB1 ALA 65 HB1 ALA 65 -3.543 6.961 -13.100 528 HB2 ALA 65 HB2 ALA 65 -2.390 7.788 -12.053 529 HB3 ALA 65 HB3 ALA 65 -4.086 7.673 -11.581 530 H LEU 66 H LEU 66 -2.558 3.369 -11.100 531 HA LEU 66 HA LEU 66 -4.467 2.609 -13.197 532 HB2 LEU 66 HB3 LEU 66 -3.297 0.311 -12.821 533 HB3 LEU 66 HB2 LEU 66 -2.497 1.567 -13.747 534 HG LEU 66 HG LEU 66 -1.115 2.148 -11.832 535 HD11 LEU 66 HD11 LEU 66 -2.668 1.684 -10.040 536 HD12 LEU 66 HD12 LEU 66 -1.179 0.770 -9.793 537 HD13 LEU 66 HD13 LEU 66 -2.620 -0.040 -10.409 538 HD21 LEU 66 HD21 LEU 66 -1.193 -0.625 -12.878 539 HD22 LEU 66 HD22 LEU 66 -0.121 -0.292 -11.518 540 HD23 LEU 66 HD23 LEU 66 0.059 0.608 -13.024 541 H LYS 67 H LYS 67 -5.624 0.486 -12.800 542 HA LYS 67 HA LYS 67 -7.039 0.707 -10.294 543 HB2 LYS 67 HB3 LYS 67 -8.441 -1.142 -11.246 544 HB3 LYS 67 HB2 LYS 67 -8.378 0.313 -12.229 545 HG2 LYS 67 HG3 LYS 67 -7.755 -0.908 -13.962 546 HG3 LYS 67 HG2 LYS 67 -6.277 -1.346 -13.105 547 HD2 LYS 67 HD3 LYS 67 -7.007 -3.422 -12.695 548 HD3 LYS 67 HD2 LYS 67 -8.606 -2.855 -12.209 549 HE2 LYS 67 HE3 LYS 67 -9.109 -4.077 -14.094 550 HE3 LYS 67 HE2 LYS 67 -8.930 -2.456 -14.766 551 HZ1 LYS 67 HZ1 LYS 67 -7.211 -4.797 -15.072 552 HZ2 LYS 67 HZ2 LYS 67 -6.451 -3.286 -15.010 553 HZ3 LYS 67 HZ3 LYS 67 -7.617 -3.599 -16.195 554 H ASN 68 H ASN 68 -4.803 -1.543 -11.816 555 HA ASN 68 HA ASN 68 -4.201 -2.705 -9.244 556 HB2 ASN 68 HB3 ASN 68 -5.945 -4.061 -11.145 557 HB3 ASN 68 HB2 ASN 68 -4.527 -5.022 -10.738 558 HD21 ASN 68 HD22 ASN 68 -5.800 -6.524 -9.643 559 HD22 ASN 68 HD21 ASN 68 -6.469 -6.190 -8.086 560 H VAL 69 H VAL 69 -2.124 -3.360 -9.129 561 HA VAL 69 HA VAL 69 -0.522 -3.121 -11.564 562 HB VAL 69 HB VAL 69 0.532 -3.425 -8.757 563 HG11 VAL 69 HG11 VAL 69 2.122 -3.832 -10.559 564 HG12 VAL 69 HG12 VAL 69 2.523 -2.354 -9.685 565 HG13 VAL 69 HG13 VAL 69 1.739 -2.262 -11.264 566 HG21 VAL 69 HG21 VAL 69 0.692 -0.726 -9.694 567 HG22 VAL 69 HG22 VAL 69 -0.074 -1.352 -8.235 568 HG23 VAL 69 HG23 VAL 69 -0.987 -1.260 -9.740 569 HA PRO 70 HA PRO 70 -0.421 -7.616 -11.683 570 HB2 PRO 70 HB2 PRO 70 1.289 -7.803 -13.803 571 HB3 PRO 70 HB3 PRO 70 -0.442 -7.491 -13.971 572 HG2 PRO 70 HG3 PRO 70 1.844 -5.560 -14.027 573 HG3 PRO 70 HG2 PRO 70 0.410 -5.628 -15.068 574 HD2 PRO 70 HD3 PRO 70 0.607 -3.886 -13.023 575 HD3 PRO 70 HD2 PRO 70 -0.941 -4.620 -13.487 576 H ARG 71 H ARG 71 1.721 -9.093 -12.348 577 HA ARG 71 HA ARG 71 3.601 -8.480 -10.192 578 HB2 ARG 71 HB3 ARG 71 2.330 -10.772 -10.665 579 HB3 ARG 71 HB2 ARG 71 3.723 -11.045 -11.704 580 HG2 ARG 71 HG3 ARG 71 4.935 -10.199 -9.434 581 HG3 ARG 71 HG2 ARG 71 3.521 -11.025 -8.779 582 HD2 ARG 71 HD3 ARG 71 5.468 -12.210 -10.753 583 HD3 ARG 71 HD2 ARG 71 5.475 -12.513 -9.017 584 HE ARG 71 HE ARG 71 2.948 -13.105 -10.204 585 HH11 ARG 71 HH11 ARG 71 6.167 -14.350 -9.692 586 HH12 ARG 71 HH12 ARG 71 5.680 -16.007 -9.809 587 HH21 ARG 71 HH22 ARG 71 2.305 -15.285 -10.357 588 HH22 ARG 71 HH21 ARG 71 3.488 -16.538 -10.187 589 H LYS 72 H LYS 72 3.823 -6.949 -12.552 590 HA LYS 72 HA LYS 72 6.478 -7.817 -13.466 591 HB2 LYS 72 HB3 LYS 72 4.599 -8.194 -15.167 592 HB3 LYS 72 HB2 LYS 72 4.517 -6.442 -15.291 593 HG2 LYS 72 HG3 LYS 72 6.450 -6.294 -16.446 594 HG3 LYS 72 HG2 LYS 72 7.192 -7.650 -15.595 595 HD2 LYS 72 HD3 LYS 72 4.903 -8.350 -17.305 596 HD3 LYS 72 HD2 LYS 72 6.318 -7.738 -18.164 597 HE2 LYS 72 HE3 LYS 72 6.817 -9.754 -16.062 598 HE3 LYS 72 HE2 LYS 72 5.989 -10.320 -17.511 599 HZ1 LYS 72 HZ1 LYS 72 8.383 -8.671 -17.852 600 HZ2 LYS 72 HZ2 LYS 72 7.801 -9.941 -18.808 601 HZ3 LYS 72 HZ3 LYS 72 8.594 -10.273 -17.352 602 H ASP 73 H ASP 73 4.190 -5.112 -13.226 603 HA ASP 73 HA ASP 73 6.480 -3.272 -13.068 604 HB2 ASP 73 HB3 ASP 73 3.650 -2.939 -13.997 605 HB3 ASP 73 HB2 ASP 73 4.543 -1.539 -13.411 606 H THR 74 H THR 74 5.374 -4.959 -10.878 607 HA THR 74 HA THR 74 4.343 -2.893 -9.068 608 HB THR 74 HB THR 74 3.055 -4.992 -9.228 609 HG1 THR 74 HG1 THR 74 2.994 -5.385 -6.970 610 HG21 THR 74 HG21 THR 74 3.834 -7.072 -8.789 611 HG22 THR 74 HG22 THR 74 5.113 -6.493 -7.723 612 HG23 THR 74 HG23 THR 74 5.298 -6.366 -9.472 613 H HIS 75 H HIS 75 7.152 -3.081 -9.922 614 HA HIS 75 HA HIS 75 8.342 -3.319 -7.246 615 HB2 HIS 75 HB3 HIS 75 10.407 -4.241 -8.302 616 HB3 HIS 75 HB2 HIS 75 9.017 -5.316 -8.416 617 HD1 HIS 75 HD1 HIS 75 10.642 -2.652 -10.606 618 HD2 HIS 75 HD2 HIS 75 8.726 -6.327 -10.899 619 HE1 HIS 75 HE1 HIS 75 10.701 -3.249 -13.048 620 HE2 HIS 75 HE2 HIS 75 9.460 -5.435 -13.212 621 H LEU 76 H LEU 76 7.507 -1.181 -9.427 622 HA LEU 76 HA LEU 76 9.936 0.439 -9.058 623 HB2 LEU 76 HB3 LEU 76 8.413 -0.160 -11.511 624 HB3 LEU 76 HB2 LEU 76 8.857 1.523 -11.297 625 HG LEU 76 HG LEU 76 10.816 -0.772 -11.251 626 HD11 LEU 76 HD11 LEU 76 11.427 -0.201 -13.463 627 HD12 LEU 76 HD12 LEU 76 10.411 1.240 -13.449 628 HD13 LEU 76 HD13 LEU 76 9.671 -0.362 -13.458 629 HD21 LEU 76 HD21 LEU 76 11.145 1.640 -10.113 630 HD22 LEU 76 HD22 LEU 76 11.657 2.008 -11.760 631 HD23 LEU 76 HD23 LEU 76 12.459 0.725 -10.855 632 H TYR 77 H TYR 77 6.836 0.118 -8.126 633 HA TYR 77 HA TYR 77 6.364 3.022 -8.028 634 HB2 TYR 77 HB3 TYR 77 4.387 0.737 -7.921 635 HB3 TYR 77 HB2 TYR 77 3.964 2.429 -7.674 636 HD1 TYR 77 HD2 TYR 77 5.281 3.900 -9.709 637 HD2 TYR 77 HD1 TYR 77 3.614 -0.006 -9.959 638 HE1 TYR 77 HE2 TYR 77 4.992 4.185 -12.134 639 HE2 TYR 77 HE1 TYR 77 3.320 0.268 -12.385 640 HH TYR 77 HH TYR 77 4.763 2.801 -14.137 641 H ILE 78 H ILE 78 6.883 0.164 -6.174 642 HA ILE 78 HA ILE 78 6.946 1.723 -3.742 643 HB ILE 78 HB ILE 78 4.593 1.051 -3.815 644 HG12 ILE 78 HG13 ILE 78 5.902 -0.681 -1.735 645 HG13 ILE 78 HG12 ILE 78 6.048 1.072 -1.666 646 HG21 ILE 78 HG21 ILE 78 4.860 -0.957 -5.191 647 HG22 ILE 78 HG22 ILE 78 3.941 -1.287 -3.723 648 HG23 ILE 78 HG23 ILE 78 5.631 -1.778 -3.834 649 HD11 ILE 78 HD11 ILE 78 3.412 -0.363 -1.778 650 HD12 ILE 78 HD12 ILE 78 3.707 1.337 -1.412 651 HD13 ILE 78 HD13 ILE 78 4.220 0.088 -0.277 652 H ALA 79 H ALA 79 8.411 0.949 -2.309 653 HA ALA 79 HA ALA 79 9.384 -1.792 -2.608 654 HB1 ALA 79 HB1 ALA 79 10.868 -0.501 -4.011 655 HB2 ALA 79 HB2 ALA 79 11.730 -1.027 -2.565 656 HB3 ALA 79 HB3 ALA 79 11.166 0.637 -2.698 657 HA PRO 80 HA PRO 80 9.131 -1.714 1.822 658 HB2 PRO 80 HB2 PRO 80 11.373 -3.656 1.712 659 HB3 PRO 80 HB3 PRO 80 9.787 -3.811 2.474 660 HG2 PRO 80 HG3 PRO 80 10.354 -5.107 0.214 661 HG3 PRO 80 HG2 PRO 80 8.748 -4.411 0.494 662 HD2 PRO 80 HD3 PRO 80 10.982 -3.398 -1.213 663 HD3 PRO 80 HD2 PRO 80 9.232 -3.371 -1.510 664 H LYS 81 H LYS 81 9.946 -0.118 3.013 665 HA LYS 81 HA LYS 81 12.848 0.384 2.899 666 HB2 LYS 81 HB3 LYS 81 11.543 2.234 1.951 667 HB3 LYS 81 HB2 LYS 81 10.626 2.360 3.445 668 HG2 LYS 81 HG3 LYS 81 12.818 2.827 4.607 669 HG3 LYS 81 HG2 LYS 81 13.528 2.987 2.999 670 HD2 LYS 81 HD3 LYS 81 11.062 4.516 3.340 671 HD3 LYS 81 HD2 LYS 81 12.351 5.008 4.440 672 HE2 LYS 81 HE3 LYS 81 13.852 5.382 2.601 673 HE3 LYS 81 HE2 LYS 81 12.684 4.718 1.459 674 HZ1 LYS 81 HZ1 LYS 81 11.174 6.577 2.203 675 HZ2 LYS 81 HZ2 LYS 81 12.516 7.036 1.281 676 HZ3 LYS 81 HZ3 LYS 81 12.522 7.265 2.957 677 H THR 82 H THR 82 13.750 -0.466 4.662 678 HA THR 82 HA THR 82 12.619 0.240 7.271 679 HB THR 82 HB THR 82 13.583 -2.263 7.781 680 HG1 THR 82 HG1 THR 82 12.690 -3.591 6.137 681 HG21 THR 82 HG21 THR 82 11.109 -1.019 7.887 682 HG22 THR 82 HG22 THR 82 11.539 -2.594 8.553 683 HG23 THR 82 HG23 THR 82 10.840 -2.481 6.938 684 H LYS 83 H LYS 83 14.114 0.576 8.885 685 HA LYS 83 HA LYS 83 16.939 0.114 8.244 686 HB2 LYS 83 HB3 LYS 83 15.981 2.715 9.431 687 HB3 LYS 83 HB2 LYS 83 17.586 2.329 8.826 688 HG2 LYS 83 HG3 LYS 83 16.440 2.022 6.553 689 HG3 LYS 83 HG2 LYS 83 15.080 2.877 7.282 690 HD2 LYS 83 HD3 LYS 83 16.219 4.650 6.392 691 HD3 LYS 83 HD2 LYS 83 16.980 4.575 7.983 692 HE2 LYS 83 HE3 LYS 83 18.779 3.175 6.990 693 HE3 LYS 83 HE2 LYS 83 18.044 3.423 5.407 694 HZ1 LYS 83 HZ1 LYS 83 18.617 5.819 6.957 695 HZ2 LYS 83 HZ2 LYS 83 18.779 5.538 5.295 696 HZ3 LYS 83 HZ3 LYS 83 19.959 4.973 6.367 697 H GLU 84 H GLU 84 18.356 0.283 10.146 698 HA GLU 84 HA GLU 84 17.158 0.254 12.762 699 HB2 GLU 84 HB3 GLU 84 17.985 -2.267 11.396 700 HB3 GLU 84 HB2 GLU 84 18.305 -2.109 13.118 701 HG2 GLU 84 HG3 GLU 84 15.800 -1.423 13.243 702 HG3 GLU 84 HG2 GLU 84 15.697 -2.234 11.682 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -6.199 7.512 -6.380 2 H2 MET 1 H2 MET 1 -4.979 7.108 -7.514 3 H3 MET 1 H3 MET 1 -4.575 7.994 -6.101 4 HA MET 1 HA MET 1 -5.736 5.300 -6.022 5 HB2 MET 1 HB3 MET 1 -3.404 5.792 -7.254 6 HB3 MET 1 HB2 MET 1 -2.829 5.751 -5.593 7 HG2 MET 1 HG3 MET 1 -3.173 3.531 -5.380 8 HG3 MET 1 HG2 MET 1 -4.595 3.539 -6.421 9 HE1 MET 1 HE1 MET 1 -3.625 1.292 -6.837 10 HE2 MET 1 HE2 MET 1 -1.866 1.150 -6.853 11 HE3 MET 1 HE3 MET 1 -2.778 0.994 -8.355 12 H ARG 2 H ARG 2 -5.208 4.266 -3.952 13 HA ARG 2 HA ARG 2 -4.502 6.087 -1.781 14 HB2 ARG 2 HB3 ARG 2 -6.493 5.133 -0.471 15 HB3 ARG 2 HB2 ARG 2 -6.825 6.368 -1.674 16 HG2 ARG 2 HG3 ARG 2 -6.991 3.882 -2.992 17 HG3 ARG 2 HG2 ARG 2 -7.871 3.723 -1.472 18 HD2 ARG 2 HD3 ARG 2 -9.585 4.732 -2.472 19 HD3 ARG 2 HD2 ARG 2 -8.627 6.211 -2.458 20 HE ARG 2 HE ARG 2 -8.066 4.512 -4.702 21 HH11 ARG 2 HH11 ARG 2 -10.176 7.007 -3.474 22 HH12 ARG 2 HH12 ARG 2 -10.625 7.574 -5.047 23 HH21 ARG 2 HH22 ARG 2 -8.656 5.258 -6.771 24 HH22 ARG 2 HH21 ARG 2 -9.763 6.582 -6.920 25 H ILE 3 H ILE 3 -4.061 4.969 0.242 26 HA ILE 3 HA ILE 3 -2.358 2.821 0.020 27 HB ILE 3 HB ILE 3 -2.456 4.245 2.001 28 HG12 ILE 3 HG13 ILE 3 -1.740 1.674 1.963 29 HG13 ILE 3 HG12 ILE 3 -1.671 2.640 3.430 30 HG21 ILE 3 HG21 ILE 3 -5.013 2.803 2.681 31 HG22 ILE 3 HG22 ILE 3 -4.895 4.470 2.118 32 HG23 ILE 3 HG23 ILE 3 -4.195 4.012 3.670 33 HD11 ILE 3 HD11 ILE 3 -3.968 0.845 2.683 34 HD12 ILE 3 HD12 ILE 3 -3.738 1.702 4.205 35 HD13 ILE 3 HD13 ILE 3 -2.644 0.395 3.756 36 H ASP 4 H ASP 4 -5.825 2.804 0.148 37 HA ASP 4 HA ASP 4 -6.142 0.093 0.945 38 HB2 ASP 4 HB3 ASP 4 -7.839 2.207 0.680 39 HB3 ASP 4 HB2 ASP 4 -8.258 1.259 -0.743 40 H LYS 5 H LYS 5 -6.497 1.661 -2.246 41 HA LYS 5 HA LYS 5 -6.421 -0.945 -3.536 42 HB2 LYS 5 HB3 LYS 5 -7.661 1.500 -4.112 43 HB3 LYS 5 HB2 LYS 5 -6.447 1.290 -5.368 44 HG2 LYS 5 HG3 LYS 5 -7.379 -0.948 -5.842 45 HG3 LYS 5 HG2 LYS 5 -8.643 -0.641 -4.649 46 HD2 LYS 5 HD3 LYS 5 -8.262 1.409 -6.750 47 HD3 LYS 5 HD2 LYS 5 -8.949 -0.135 -7.260 48 HE2 LYS 5 HE3 LYS 5 -10.896 0.821 -6.653 49 HE3 LYS 5 HE2 LYS 5 -10.399 0.335 -5.032 50 HZ1 LYS 5 HZ1 LYS 5 -10.524 2.985 -6.217 51 HZ2 LYS 5 HZ2 LYS 5 -9.191 2.689 -5.216 52 HZ3 LYS 5 HZ3 LYS 5 -10.760 2.503 -4.613 53 H PHE 6 H PHE 6 -4.112 1.227 -2.530 54 HA PHE 6 HA PHE 6 -2.387 1.150 -4.816 55 HB2 PHE 6 HB3 PHE 6 -2.386 2.992 -3.130 56 HB3 PHE 6 HB2 PHE 6 -1.677 1.873 -1.970 57 HD1 PHE 6 HD1 PHE 6 -1.110 3.718 -5.099 58 HD2 PHE 6 HD2 PHE 6 0.631 1.291 -2.067 59 HE1 PHE 6 HE1 PHE 6 1.132 4.290 -5.935 60 HE2 PHE 6 HE2 PHE 6 2.876 1.858 -2.898 61 HZ PHE 6 HZ PHE 6 3.129 3.359 -4.833 62 H LEU 7 H LEU 7 -1.897 -0.164 -1.526 63 HA LEU 7 HA LEU 7 0.126 -1.961 -2.525 64 HB2 LEU 7 HB3 LEU 7 0.368 -2.640 -0.178 65 HB3 LEU 7 HB2 LEU 7 0.490 -0.906 -0.397 66 HG LEU 7 HG LEU 7 -2.075 -0.971 0.227 67 HD11 LEU 7 HD11 LEU 7 -1.434 -3.071 2.128 68 HD12 LEU 7 HD12 LEU 7 -1.485 -3.654 0.466 69 HD13 LEU 7 HD13 LEU 7 -2.883 -2.829 1.154 70 HD21 LEU 7 HD21 LEU 7 0.203 -1.224 2.183 71 HD22 LEU 7 HD22 LEU 7 -1.420 -0.672 2.600 72 HD23 LEU 7 HD23 LEU 7 -0.433 0.260 1.474 73 H GLN 8 H GLN 8 -3.245 -2.134 -2.005 74 HA GLN 8 HA GLN 8 -3.270 -5.003 -1.609 75 HB2 GLN 8 HB3 GLN 8 -5.561 -3.093 -2.074 76 HB3 GLN 8 HB2 GLN 8 -5.702 -4.767 -1.555 77 HG2 GLN 8 HG3 GLN 8 -4.394 -4.169 0.482 78 HG3 GLN 8 HG2 GLN 8 -4.486 -2.482 -0.023 79 HE21 GLN 8 HE22 GLN 8 -5.689 -1.773 1.683 80 HE22 GLN 8 HE21 GLN 8 -7.329 -2.242 1.955 81 H SER 9 H SER 9 -3.470 -2.772 -4.245 82 HA SER 9 HA SER 9 -4.616 -4.736 -6.053 83 HB2 SER 9 HB3 SER 9 -3.605 -1.930 -6.573 84 HB3 SER 9 HB2 SER 9 -4.437 -2.947 -7.749 85 HG SER 9 HG SER 9 -6.234 -2.288 -6.913 86 H VAL 10 H VAL 10 -1.509 -3.338 -5.269 87 HA VAL 10 HA VAL 10 -0.082 -4.196 -7.543 88 HB VAL 10 HB VAL 10 1.945 -3.946 -6.154 89 HG11 VAL 10 HG11 VAL 10 1.209 -1.500 -5.334 90 HG12 VAL 10 HG12 VAL 10 -0.134 -1.866 -6.416 91 HG13 VAL 10 HG13 VAL 10 1.522 -1.903 -7.022 92 HG21 VAL 10 HG21 VAL 10 1.251 -4.763 -4.038 93 HG22 VAL 10 HG22 VAL 10 -0.062 -3.590 -3.939 94 HG23 VAL 10 HG23 VAL 10 1.613 -3.052 -3.820 95 H GLY 11 H GLY 11 -1.062 -5.834 -4.621 96 HA2 GLY 11 HA3 GLY 11 -1.303 -8.265 -4.786 97 HA3 GLY 11 HA2 GLY 11 0.227 -8.287 -5.648 98 H LEU 12 H LEU 12 -0.663 -6.560 -2.683 99 HA LEU 12 HA LEU 12 1.521 -7.982 -1.314 100 HB2 LEU 12 HB3 LEU 12 0.969 -5.234 -1.577 101 HB3 LEU 12 HB2 LEU 12 0.603 -5.638 0.089 102 HG LEU 12 HG LEU 12 3.235 -6.176 -1.290 103 HD11 LEU 12 HD11 LEU 12 3.488 -3.965 -0.974 104 HD12 LEU 12 HD12 LEU 12 3.766 -4.430 0.705 105 HD13 LEU 12 HD13 LEU 12 2.171 -3.874 0.196 106 HD21 LEU 12 HD21 LEU 12 2.116 -6.880 1.367 107 HD22 LEU 12 HD22 LEU 12 3.806 -6.382 1.292 108 HD23 LEU 12 HD23 LEU 12 3.251 -7.762 0.344 109 H VAL 13 H VAL 13 -1.776 -6.761 -0.933 110 HA VAL 13 HA VAL 13 -2.211 -7.709 1.681 111 HB VAL 13 HB VAL 13 -3.668 -6.050 0.573 112 HG11 VAL 13 HG11 VAL 13 -5.403 -7.894 -0.802 113 HG12 VAL 13 HG12 VAL 13 -3.775 -7.944 -1.481 114 HG13 VAL 13 HG13 VAL 13 -4.646 -6.414 -1.390 115 HG21 VAL 13 HG21 VAL 13 -5.730 -6.804 1.528 116 HG22 VAL 13 HG22 VAL 13 -4.411 -7.391 2.542 117 HG23 VAL 13 HG23 VAL 13 -5.222 -8.489 1.424 118 H LYS 14 H LYS 14 -3.623 -9.474 2.343 119 HA LYS 14 HA LYS 14 -3.330 -11.820 0.585 120 HB2 LYS 14 HB3 LYS 14 -3.164 -11.505 3.564 121 HB3 LYS 14 HB2 LYS 14 -3.607 -13.057 2.866 122 HG2 LYS 14 HG3 LYS 14 -1.192 -11.738 1.782 123 HG3 LYS 14 HG2 LYS 14 -1.095 -12.387 3.420 124 HD2 LYS 14 HD3 LYS 14 -2.348 -14.171 1.447 125 HD3 LYS 14 HD2 LYS 14 -0.641 -13.828 1.164 126 HE2 LYS 14 HE3 LYS 14 0.006 -14.738 3.212 127 HE3 LYS 14 HE2 LYS 14 -1.623 -14.629 3.879 128 HZ1 LYS 14 HZ1 LYS 14 -1.041 -16.387 1.580 129 HZ2 LYS 14 HZ2 LYS 14 -2.322 -16.472 2.683 130 HZ3 LYS 14 HZ3 LYS 14 -0.761 -16.909 3.164 131 H ARG 15 H ARG 15 -5.048 -13.294 0.429 132 HA ARG 15 HA ARG 15 -7.610 -12.216 0.307 133 HB2 ARG 15 HB3 ARG 15 -8.374 -14.603 0.130 134 HB3 ARG 15 HB2 ARG 15 -7.100 -14.151 -0.993 135 HG2 ARG 15 HG3 ARG 15 -5.636 -15.090 1.080 136 HG3 ARG 15 HG2 ARG 15 -7.083 -16.093 1.206 137 HD2 ARG 15 HD3 ARG 15 -6.396 -17.338 -0.498 138 HD3 ARG 15 HD2 ARG 15 -6.329 -15.916 -1.537 139 HE ARG 15 HE ARG 15 -4.035 -15.968 0.077 140 HH11 ARG 15 HH11 ARG 15 -5.474 -17.724 -2.573 141 HH12 ARG 15 HH12 ARG 15 -3.954 -18.242 -3.220 142 HH21 ARG 15 HH22 ARG 15 -2.034 -16.648 -0.772 143 HH22 ARG 15 HH21 ARG 15 -2.001 -17.632 -2.198 144 H ARG 16 H ARG 16 -8.420 -11.285 2.121 145 HA ARG 16 HA ARG 16 -9.562 -12.959 4.106 146 HB2 ARG 16 HB3 ARG 16 -6.922 -12.315 4.627 147 HB3 ARG 16 HB2 ARG 16 -7.815 -11.115 5.548 148 HG2 ARG 16 HG3 ARG 16 -8.959 -13.735 5.901 149 HG3 ARG 16 HG2 ARG 16 -7.239 -13.736 6.292 150 HD2 ARG 16 HD3 ARG 16 -8.528 -11.395 7.373 151 HD3 ARG 16 HD2 ARG 16 -9.356 -12.858 7.900 152 HE ARG 16 HE ARG 16 -7.485 -13.467 9.108 153 HH11 ARG 16 HH11 ARG 16 -6.765 -10.674 7.138 154 HH12 ARG 16 HH12 ARG 16 -5.264 -10.348 7.935 155 HH21 ARG 16 HH22 ARG 16 -5.512 -13.035 10.152 156 HH22 ARG 16 HH21 ARG 16 -4.551 -11.686 9.643 157 H VAL 17 H VAL 17 -11.370 -12.003 4.775 158 HA VAL 17 HA VAL 17 -12.975 -10.432 5.139 159 HB VAL 17 HB VAL 17 -10.711 -8.479 5.538 160 HG11 VAL 17 HG11 VAL 17 -12.498 -7.686 7.289 161 HG12 VAL 17 HG12 VAL 17 -13.613 -8.523 6.210 162 HG13 VAL 17 HG13 VAL 17 -12.617 -7.203 5.598 163 HG21 VAL 17 HG21 VAL 17 -11.341 -9.242 8.037 164 HG22 VAL 17 HG22 VAL 17 -10.038 -9.969 7.099 165 HG23 VAL 17 HG23 VAL 17 -11.612 -10.760 7.180 166 H LEU 18 H LEU 18 -14.011 -8.515 4.246 167 HA LEU 18 HA LEU 18 -13.109 -8.020 1.496 168 HB2 LEU 18 HB3 LEU 18 -15.412 -7.368 1.026 169 HB3 LEU 18 HB2 LEU 18 -15.332 -8.985 1.697 170 HG LEU 18 HG LEU 18 -15.765 -7.604 3.962 171 HD11 LEU 18 HD11 LEU 18 -16.847 -5.641 3.736 172 HD12 LEU 18 HD12 LEU 18 -17.633 -6.122 2.232 173 HD13 LEU 18 HD13 LEU 18 -15.958 -5.572 2.214 174 HD21 LEU 18 HD21 LEU 18 -17.723 -8.673 1.950 175 HD22 LEU 18 HD22 LEU 18 -18.228 -8.082 3.532 176 HD23 LEU 18 HD23 LEU 18 -17.116 -9.447 3.414 177 H ALA 19 H ALA 19 -13.996 -5.779 0.683 178 HA ALA 19 HA ALA 19 -13.770 -3.518 0.703 179 HB1 ALA 19 HB1 ALA 19 -14.197 -2.353 2.891 180 HB2 ALA 19 HB2 ALA 19 -14.360 -3.949 3.623 181 HB3 ALA 19 HB3 ALA 19 -15.473 -3.444 2.352 182 H THR 20 H THR 20 -12.383 -3.983 3.928 183 HA THR 20 HA THR 20 -9.677 -3.901 3.026 184 HB THR 20 HB THR 20 -9.724 -1.639 2.687 185 HG1 THR 20 HG1 THR 20 -8.245 -1.563 4.218 186 HG21 THR 20 HG21 THR 20 -11.097 -0.298 4.661 187 HG22 THR 20 HG22 THR 20 -12.121 -1.689 4.310 188 HG23 THR 20 HG23 THR 20 -11.649 -0.592 3.012 189 H ASP 21 H ASP 21 -11.036 -2.387 5.932 190 HA ASP 21 HA ASP 21 -11.112 -3.067 8.113 191 HB2 ASP 21 HB3 ASP 21 -11.241 -5.478 6.823 192 HB3 ASP 21 HB2 ASP 21 -9.781 -5.667 7.790 193 H MET 22 H MET 22 -8.371 -2.815 6.211 194 HA MET 22 HA MET 22 -6.403 -3.345 8.230 195 HB2 MET 22 HB3 MET 22 -5.993 -1.738 5.713 196 HB3 MET 22 HB2 MET 22 -4.791 -2.634 6.631 197 HG2 MET 22 HG3 MET 22 -6.861 -4.418 5.808 198 HG3 MET 22 HG2 MET 22 -6.296 -3.496 4.416 199 HE1 MET 22 HE1 MET 22 -6.398 -6.419 5.593 200 HE2 MET 22 HE2 MET 22 -4.869 -7.111 6.137 201 HE3 MET 22 HE3 MET 22 -5.232 -7.017 4.413 202 H CYS 23 H CYS 23 -8.215 -0.579 7.124 203 HA CYS 23 HA CYS 23 -6.582 1.402 8.357 204 HB2 CYS 23 HB3 CYS 23 -8.468 2.918 7.934 205 HB3 CYS 23 HB2 CYS 23 -8.087 1.956 6.510 206 HG CYS 23 HG CYS 23 -10.261 0.506 7.795 207 H ASN 24 H ASN 24 -8.879 -0.826 9.562 208 HA ASN 24 HA ASN 24 -9.388 0.768 11.961 209 HB2 ASN 24 HB3 ASN 24 -10.956 -1.033 10.497 210 HB3 ASN 24 HB2 ASN 24 -10.564 -1.882 11.988 211 HD21 ASN 24 HD22 ASN 24 -12.891 -1.709 12.321 212 HD22 ASN 24 HD21 ASN 24 -13.523 -0.273 13.046 213 H VAL 25 H VAL 25 -8.067 -2.382 11.001 214 HA VAL 25 HA VAL 25 -7.380 -3.316 13.540 215 HB VAL 25 HB VAL 25 -5.791 -4.799 12.429 216 HG11 VAL 25 HG11 VAL 25 -8.556 -4.575 11.836 217 HG12 VAL 25 HG12 VAL 25 -7.553 -6.026 11.872 218 HG13 VAL 25 HG13 VAL 25 -7.730 -5.113 10.373 219 HG21 VAL 25 HG21 VAL 25 -4.665 -3.531 10.843 220 HG22 VAL 25 HG22 VAL 25 -6.155 -2.887 10.154 221 HG23 VAL 25 HG23 VAL 25 -5.698 -4.562 9.853 222 H GLY 26 H GLY 26 -5.838 -0.963 11.489 223 HA2 GLY 26 HA3 GLY 26 -4.403 0.689 12.524 224 HA3 GLY 26 HA2 GLY 26 -3.790 -0.578 13.577 225 H ALA 27 H ALA 27 -4.277 -1.145 10.178 226 HA ALA 27 HA ALA 27 -1.354 -1.246 9.831 227 HB1 ALA 27 HB1 ALA 27 -3.562 -2.896 8.648 228 HB2 ALA 27 HB2 ALA 27 -2.141 -3.428 9.549 229 HB3 ALA 27 HB3 ALA 27 -1.965 -2.820 7.904 230 H VAL 28 H VAL 28 -2.854 1.169 9.528 231 HA VAL 28 HA VAL 28 -2.206 1.741 6.736 232 HB VAL 28 HB VAL 28 -4.836 2.569 7.971 233 HG11 VAL 28 HG11 VAL 28 -5.105 3.004 5.328 234 HG12 VAL 28 HG12 VAL 28 -3.384 3.335 5.523 235 HG13 VAL 28 HG13 VAL 28 -4.568 4.234 6.472 236 HG21 VAL 28 HG21 VAL 28 -4.723 0.155 7.423 237 HG22 VAL 28 HG22 VAL 28 -4.338 0.584 5.757 238 HG23 VAL 28 HG23 VAL 28 -5.898 1.034 6.446 239 H TRP 29 H TRP 29 -0.600 3.159 7.063 240 HA TRP 29 HA TRP 29 -1.241 5.640 8.456 241 HB2 TRP 29 HB3 TRP 29 0.938 3.741 9.222 242 HB3 TRP 29 HB2 TRP 29 1.225 5.471 9.382 243 HD1 TRP 29 HD1 TRP 29 -1.536 2.963 10.493 244 HE1 TRP 29 HE1 TRP 29 -2.295 3.631 12.860 245 HE3 TRP 29 HE3 TRP 29 1.390 7.104 11.146 246 HZ2 TRP 29 HZ2 TRP 29 -1.727 5.646 14.753 247 HZ3 TRP 29 HZ3 TRP 29 1.222 8.345 13.263 248 HH2 TRP 29 HH2 TRP 29 -0.305 7.630 15.028 249 H LEU 30 H LEU 30 -0.974 7.119 6.930 250 HA LEU 30 HA LEU 30 1.115 6.764 4.914 251 HB2 LEU 30 HB3 LEU 30 -1.361 7.356 4.427 252 HB3 LEU 30 HB2 LEU 30 -0.913 8.976 4.928 253 HG LEU 30 HG LEU 30 -0.847 8.755 2.500 254 HD11 LEU 30 HD11 LEU 30 1.262 9.758 2.129 255 HD12 LEU 30 HD12 LEU 30 1.975 8.946 3.523 256 HD13 LEU 30 HD13 LEU 30 0.774 10.217 3.761 257 HD21 LEU 30 HD21 LEU 30 1.327 6.711 2.932 258 HD22 LEU 30 HD22 LEU 30 0.702 7.287 1.387 259 HD23 LEU 30 HD23 LEU 30 -0.327 6.332 2.454 260 H ASN 31 H ASN 31 3.015 7.689 5.235 261 HA ASN 31 HA ASN 31 4.648 9.102 5.948 262 HB2 ASN 31 HB3 ASN 31 2.370 10.888 5.254 263 HB3 ASN 31 HB2 ASN 31 3.719 11.602 6.133 264 HD21 ASN 31 HD22 ASN 31 4.332 12.874 4.405 265 HD22 ASN 31 HD21 ASN 31 5.085 12.223 2.994 266 H GLY 32 H GLY 32 3.794 7.689 8.009 267 HA2 GLY 32 HA3 GLY 32 3.672 7.626 10.300 268 HA3 GLY 32 HA2 GLY 32 4.449 9.203 10.257 269 H SER 33 H SER 33 1.291 8.431 8.902 270 HA SER 33 HA SER 33 -0.042 9.791 11.115 271 HB2 SER 33 HB3 SER 33 0.616 11.358 9.084 272 HB3 SER 33 HB2 SER 33 -0.817 10.635 8.354 273 HG SER 33 HG SER 33 -1.929 11.281 10.333 274 H CYS 34 H CYS 34 -1.761 8.651 11.703 275 HA CYS 34 HA CYS 34 -2.646 6.365 10.354 276 HB2 CYS 34 HB3 CYS 34 -2.983 7.204 12.840 277 HB3 CYS 34 HB2 CYS 34 -4.500 7.816 12.192 278 HG CYS 34 HG CYS 34 -3.964 4.827 11.721 279 H ALA 35 H ALA 35 -4.144 5.998 8.827 280 HA ALA 35 HA ALA 35 -5.986 8.161 8.094 281 HB1 ALA 35 HB1 ALA 35 -4.786 6.649 5.850 282 HB2 ALA 35 HB2 ALA 35 -3.771 7.854 6.642 283 HB3 ALA 35 HB3 ALA 35 -5.314 8.330 5.934 284 H LYS 36 H LYS 36 -7.781 7.425 6.731 285 HA LYS 36 HA LYS 36 -8.752 4.864 7.645 286 HB2 LYS 36 HB3 LYS 36 -9.907 7.316 6.771 287 HB3 LYS 36 HB2 LYS 36 -10.508 6.039 5.722 288 HG2 LYS 36 HG3 LYS 36 -10.604 5.113 8.410 289 HG3 LYS 36 HG2 LYS 36 -11.343 6.713 8.337 290 HD2 LYS 36 HD3 LYS 36 -12.158 5.032 6.114 291 HD3 LYS 36 HD2 LYS 36 -12.544 4.303 7.674 292 HE2 LYS 36 HE3 LYS 36 -14.334 5.773 6.704 293 HE3 LYS 36 HE2 LYS 36 -13.819 6.192 8.338 294 HZ1 LYS 36 HZ1 LYS 36 -14.064 8.007 6.486 295 HZ2 LYS 36 HZ2 LYS 36 -12.495 7.515 6.084 296 HZ3 LYS 36 HZ3 LYS 36 -12.826 8.102 7.636 297 H ALA 37 H ALA 37 -10.352 4.060 5.521 298 HA ALA 37 HA ALA 37 -8.326 2.934 3.742 299 HB1 ALA 37 HB1 ALA 37 -11.174 2.148 4.316 300 HB2 ALA 37 HB2 ALA 37 -9.701 1.292 4.774 301 HB3 ALA 37 HB3 ALA 37 -10.180 1.379 3.078 302 H SER 38 H SER 38 -9.348 5.701 3.465 303 HA SER 38 HA SER 38 -10.007 5.538 0.634 304 HB2 SER 38 HB3 SER 38 -11.875 6.450 2.723 305 HB3 SER 38 HB2 SER 38 -11.704 7.553 1.357 306 HG SER 38 HG SER 38 -12.166 4.783 1.020 307 H LYS 39 H LYS 39 -7.697 6.368 2.248 308 HA LYS 39 HA LYS 39 -7.618 9.258 1.815 309 HB2 LYS 39 HB3 LYS 39 -6.700 7.825 3.892 310 HB3 LYS 39 HB2 LYS 39 -5.256 7.814 2.890 311 HG2 LYS 39 HG3 LYS 39 -4.923 9.676 4.194 312 HG3 LYS 39 HG2 LYS 39 -5.651 10.376 2.747 313 HD2 LYS 39 HD3 LYS 39 -7.884 10.111 3.977 314 HD3 LYS 39 HD2 LYS 39 -6.909 9.868 5.427 315 HE2 LYS 39 HE3 LYS 39 -5.736 12.071 4.629 316 HE3 LYS 39 HE2 LYS 39 -7.241 12.309 3.743 317 HZ1 LYS 39 HZ1 LYS 39 -8.469 12.372 5.711 318 HZ2 LYS 39 HZ2 LYS 39 -7.088 13.284 6.065 319 HZ3 LYS 39 HZ3 LYS 39 -7.224 11.698 6.635 320 H GLU 40 H GLU 40 -6.975 9.952 -0.108 321 HA GLU 40 HA GLU 40 -5.646 8.333 -2.009 322 HB2 GLU 40 HB3 GLU 40 -6.308 11.256 -1.847 323 HB3 GLU 40 HB2 GLU 40 -5.293 10.648 -3.146 324 HG2 GLU 40 HG3 GLU 40 -7.431 10.662 -4.051 325 HG3 GLU 40 HG2 GLU 40 -7.170 8.979 -3.595 326 H VAL 41 H VAL 41 -3.539 8.097 -2.511 327 HA VAL 41 HA VAL 41 -1.598 9.493 -0.798 328 HB VAL 41 HB VAL 41 -0.031 7.654 -1.424 329 HG11 VAL 41 HG11 VAL 41 -1.356 7.638 0.668 330 HG12 VAL 41 HG12 VAL 41 -0.981 6.021 0.073 331 HG13 VAL 41 HG13 VAL 41 -2.595 6.694 -0.160 332 HG21 VAL 41 HG21 VAL 41 -2.245 5.923 -2.309 333 HG22 VAL 41 HG22 VAL 41 -0.561 5.972 -2.831 334 HG23 VAL 41 HG23 VAL 41 -1.716 7.144 -3.467 335 H LYS 42 H LYS 42 0.610 9.758 -1.859 336 HA LYS 42 HA LYS 42 0.326 10.521 -4.686 337 HB2 LYS 42 HB3 LYS 42 0.399 12.369 -2.711 338 HB3 LYS 42 HB2 LYS 42 2.119 12.184 -3.025 339 HG2 LYS 42 HG3 LYS 42 1.112 12.403 -5.549 340 HG3 LYS 42 HG2 LYS 42 0.037 13.459 -4.630 341 HD2 LYS 42 HD3 LYS 42 1.603 15.036 -4.610 342 HD3 LYS 42 HD2 LYS 42 2.698 13.945 -3.757 343 HE2 LYS 42 HE3 LYS 42 3.990 14.163 -5.578 344 HE3 LYS 42 HE2 LYS 42 2.876 13.007 -6.303 345 HZ1 LYS 42 HZ1 LYS 42 1.932 14.585 -7.588 346 HZ2 LYS 42 HZ2 LYS 42 3.428 15.351 -7.391 347 HZ3 LYS 42 HZ3 LYS 42 2.108 15.811 -6.438 348 H ALA 43 H ALA 43 2.704 11.198 -5.464 349 HA ALA 43 HA ALA 43 4.244 8.778 -5.246 350 HB1 ALA 43 HB1 ALA 43 4.813 11.330 -6.748 351 HB2 ALA 43 HB2 ALA 43 4.021 9.894 -7.394 352 HB3 ALA 43 HB3 ALA 43 5.714 9.824 -6.907 353 H GLY 44 H GLY 44 6.498 8.690 -4.675 354 HA2 GLY 44 HA3 GLY 44 8.266 9.075 -3.266 355 HA3 GLY 44 HA2 GLY 44 7.915 10.786 -3.458 356 H ASP 45 H ASP 45 5.569 8.553 -2.163 357 HA ASP 45 HA ASP 45 5.846 9.877 0.452 358 HB2 ASP 45 HB3 ASP 45 3.510 8.949 -1.128 359 HB3 ASP 45 HB2 ASP 45 3.414 8.736 0.619 360 H THR 46 H THR 46 5.309 8.544 2.358 361 HA THR 46 HA THR 46 6.603 5.951 2.134 362 HB THR 46 HB THR 46 5.564 7.296 4.631 363 HG1 THR 46 HG1 THR 46 8.150 7.473 3.484 364 HG21 THR 46 HG21 THR 46 7.759 6.001 5.411 365 HG22 THR 46 HG22 THR 46 7.245 4.931 4.106 366 HG23 THR 46 HG23 THR 46 6.149 5.280 5.444 367 H ILE 47 H ILE 47 5.689 4.054 3.216 368 HA ILE 47 HA ILE 47 2.775 4.044 3.465 369 HB ILE 47 HB ILE 47 4.242 2.039 1.748 370 HG12 ILE 47 HG13 ILE 47 4.129 4.271 0.689 371 HG13 ILE 47 HG12 ILE 47 3.140 3.087 -0.159 372 HG21 ILE 47 HG21 ILE 47 2.287 1.127 2.889 373 HG22 ILE 47 HG22 ILE 47 2.003 1.259 1.153 374 HG23 ILE 47 HG23 ILE 47 1.296 2.440 2.255 375 HD11 ILE 47 HD11 ILE 47 2.354 5.588 0.687 376 HD12 ILE 47 HD12 ILE 47 1.639 4.497 1.872 377 HD13 ILE 47 HD13 ILE 47 1.298 4.280 0.156 378 H SER 48 H SER 48 2.696 3.504 5.577 379 HA SER 48 HA SER 48 4.445 1.466 6.662 380 HB2 SER 48 HB3 SER 48 2.194 2.533 8.281 381 HB3 SER 48 HB2 SER 48 3.880 2.270 8.728 382 HG SER 48 HG SER 48 4.384 4.133 7.444 383 H LEU 49 H LEU 49 3.677 -0.417 7.765 384 HA LEU 49 HA LEU 49 0.958 -1.290 7.223 385 HB2 LEU 49 HB3 LEU 49 3.081 -2.043 5.534 386 HB3 LEU 49 HB2 LEU 49 2.739 -3.444 6.529 387 HG LEU 49 HG LEU 49 0.393 -3.393 5.816 388 HD11 LEU 49 HD11 LEU 49 0.139 -1.011 5.445 389 HD12 LEU 49 HD12 LEU 49 -0.290 -1.904 3.987 390 HD13 LEU 49 HD13 LEU 49 1.265 -1.080 4.090 391 HD21 LEU 49 HD21 LEU 49 2.478 -4.358 4.436 392 HD22 LEU 49 HD22 LEU 49 1.817 -3.252 3.232 393 HD23 LEU 49 HD23 LEU 49 0.806 -4.531 3.905 394 H HIS 50 H HIS 50 0.185 -2.301 8.953 395 HA HIS 50 HA HIS 50 2.032 -3.109 11.054 396 HB2 HIS 50 HB3 HIS 50 -0.047 -1.701 11.465 397 HB3 HIS 50 HB2 HIS 50 -0.983 -3.163 11.168 398 HD1 HIS 50 HD1 HIS 50 2.204 -3.603 12.992 399 HD2 HIS 50 HD2 HIS 50 -1.811 -3.031 13.896 400 HE1 HIS 50 HE1 HIS 50 1.975 -4.178 15.430 401 HE2 HIS 50 HE2 HIS 50 -0.444 -3.740 15.975 402 H TYR 51 H TYR 51 2.352 -5.156 11.745 403 HA TYR 51 HA TYR 51 0.700 -7.308 10.655 404 HB2 TYR 51 HB3 TYR 51 3.632 -6.927 10.186 405 HB3 TYR 51 HB2 TYR 51 2.993 -8.560 10.334 406 HD1 TYR 51 HD2 TYR 51 2.407 -5.378 8.473 407 HD2 TYR 51 HD1 TYR 51 2.164 -9.626 8.447 408 HE1 TYR 51 HE2 TYR 51 1.730 -5.318 6.111 409 HE2 TYR 51 HE1 TYR 51 1.488 -9.577 6.083 410 HH TYR 51 HH TYR 51 0.541 -6.719 4.500 411 H LEU 52 H LEU 52 1.518 -9.483 11.656 412 HA LEU 52 HA LEU 52 1.357 -9.157 14.497 413 HB2 LEU 52 HB3 LEU 52 1.409 -11.619 14.555 414 HB3 LEU 52 HB2 LEU 52 0.196 -10.993 13.455 415 HG LEU 52 HG LEU 52 2.795 -11.595 12.206 416 HD11 LEU 52 HD11 LEU 52 2.784 -13.448 13.710 417 HD12 LEU 52 HD12 LEU 52 2.278 -14.032 12.125 418 HD13 LEU 52 HD13 LEU 52 1.079 -13.768 13.390 419 HD21 LEU 52 HD21 LEU 52 0.275 -12.791 11.263 420 HD22 LEU 52 HD22 LEU 52 1.523 -11.916 10.375 421 HD23 LEU 52 HD23 LEU 52 0.317 -11.028 11.305 422 H LYS 53 H LYS 53 3.880 -9.865 12.190 423 HA LYS 53 HA LYS 53 5.794 -10.618 14.220 424 HB2 LYS 53 HB3 LYS 53 7.382 -10.785 12.366 425 HB3 LYS 53 HB2 LYS 53 5.894 -11.648 12.001 426 HG2 LYS 53 HG3 LYS 53 5.146 -9.715 10.658 427 HG3 LYS 53 HG2 LYS 53 6.701 -8.940 10.963 428 HD2 LYS 53 HD3 LYS 53 7.716 -10.152 9.386 429 HD3 LYS 53 HD2 LYS 53 7.011 -11.654 9.983 430 HE2 LYS 53 HE3 LYS 53 5.293 -11.590 8.511 431 HE3 LYS 53 HE2 LYS 53 5.175 -9.832 8.562 432 HZ1 LYS 53 HZ1 LYS 53 6.830 -11.536 6.856 433 HZ2 LYS 53 HZ2 LYS 53 7.466 -10.037 7.317 434 HZ3 LYS 53 HZ3 LYS 53 5.998 -10.112 6.479 435 H GLY 54 H GLY 54 4.879 -7.750 12.461 436 HA2 GLY 54 HA3 GLY 54 6.035 -5.954 14.220 437 HA3 GLY 54 HA2 GLY 54 7.243 -6.250 12.980 438 H ILE 55 H ILE 55 7.259 -4.404 11.835 439 HA ILE 55 HA ILE 55 4.799 -3.692 10.420 440 HB ILE 55 HB ILE 55 6.511 -1.567 11.699 441 HG12 ILE 55 HG13 ILE 55 4.272 -1.360 13.115 442 HG13 ILE 55 HG12 ILE 55 4.169 -3.083 12.762 443 HG21 ILE 55 HG21 ILE 55 5.015 -1.186 9.615 444 HG22 ILE 55 HG22 ILE 55 4.951 -0.034 10.949 445 HG23 ILE 55 HG23 ILE 55 3.687 -1.250 10.773 446 HD11 ILE 55 HD11 ILE 55 6.694 -2.978 13.608 447 HD12 ILE 55 HD12 ILE 55 5.324 -3.210 14.693 448 HD13 ILE 55 HD13 ILE 55 6.037 -1.607 14.503 449 H GLU 56 H GLU 56 5.113 -2.943 8.367 450 HA GLU 56 HA GLU 56 7.910 -2.693 7.471 451 HB2 GLU 56 HB3 GLU 56 5.542 -3.869 6.009 452 HB3 GLU 56 HB2 GLU 56 7.096 -3.534 5.256 453 HG2 GLU 56 HG3 GLU 56 8.058 -5.351 6.137 454 HG3 GLU 56 HG2 GLU 56 7.252 -5.149 7.693 455 H GLU 57 H GLU 57 8.446 -0.810 6.598 456 HA GLU 57 HA GLU 57 6.282 0.996 5.742 457 HB2 GLU 57 HB3 GLU 57 7.945 1.535 7.721 458 HB3 GLU 57 HB2 GLU 57 9.017 1.999 6.408 459 HG2 GLU 57 HG3 GLU 57 8.007 3.953 6.238 460 HG3 GLU 57 HG2 GLU 57 6.463 3.157 5.938 461 H TYR 58 H TYR 58 6.105 0.994 3.599 462 HA TYR 58 HA TYR 58 8.488 0.645 1.944 463 HB2 TYR 58 HB3 TYR 58 5.551 0.651 1.223 464 HB3 TYR 58 HB2 TYR 58 6.862 0.412 0.074 465 HD1 TYR 58 HD2 TYR 58 5.729 -0.988 3.356 466 HD2 TYR 58 HD1 TYR 58 7.345 -1.762 -0.504 467 HE1 TYR 58 HE2 TYR 58 5.700 -3.399 3.834 468 HE2 TYR 58 HE1 TYR 58 7.320 -4.177 -0.036 469 HH TYR 58 HH TYR 58 7.039 -5.467 2.961 470 H THR 59 H THR 59 8.163 1.958 -0.268 471 HA THR 59 HA THR 59 7.441 4.730 0.345 472 HB THR 59 HB THR 59 10.092 3.891 -0.846 473 HG1 THR 59 HG1 THR 59 9.509 5.134 1.635 474 HG21 THR 59 HG21 THR 59 8.756 6.283 -1.239 475 HG22 THR 59 HG22 THR 59 10.474 5.974 -1.482 476 HG23 THR 59 HG23 THR 59 9.905 6.624 0.055 477 H ILE 60 H ILE 60 6.274 5.605 -1.233 478 HA ILE 60 HA ILE 60 5.820 4.155 -3.670 479 HB ILE 60 HB ILE 60 4.827 6.921 -2.997 480 HG12 ILE 60 HG13 ILE 60 3.445 4.293 -2.427 481 HG13 ILE 60 HG12 ILE 60 4.309 5.231 -1.211 482 HG21 ILE 60 HG21 ILE 60 4.300 4.955 -5.122 483 HG22 ILE 60 HG22 ILE 60 4.159 6.713 -5.138 484 HG23 ILE 60 HG23 ILE 60 2.876 5.733 -4.430 485 HD11 ILE 60 HD11 ILE 60 2.185 6.585 -2.779 486 HD12 ILE 60 HD12 ILE 60 2.697 6.834 -1.109 487 HD13 ILE 60 HD13 ILE 60 1.709 5.435 -1.529 488 H LEU 61 H LEU 61 7.059 4.298 -5.405 489 HA LEU 61 HA LEU 61 8.922 6.487 -5.725 490 HB2 LEU 61 HB3 LEU 61 8.423 4.162 -7.579 491 HB3 LEU 61 HB2 LEU 61 9.823 5.218 -7.566 492 HG LEU 61 HG LEU 61 9.089 3.364 -5.301 493 HD11 LEU 61 HD11 LEU 61 11.455 2.814 -6.964 494 HD12 LEU 61 HD12 LEU 61 9.893 2.507 -7.723 495 HD13 LEU 61 HD13 LEU 61 10.310 1.705 -6.209 496 HD21 LEU 61 HD21 LEU 61 11.450 5.132 -5.875 497 HD22 LEU 61 HD22 LEU 61 11.529 3.785 -4.738 498 HD23 LEU 61 HD23 LEU 61 10.408 5.116 -4.451 499 H GLN 62 H GLN 62 5.786 5.662 -6.844 500 HA GLN 62 HA GLN 62 5.406 8.113 -8.158 501 HB2 GLN 62 HB3 GLN 62 6.583 6.029 -9.775 502 HB3 GLN 62 HB2 GLN 62 5.002 6.472 -10.402 503 HG2 GLN 62 HG3 GLN 62 6.659 8.764 -9.693 504 HG3 GLN 62 HG2 GLN 62 7.355 7.745 -10.952 505 HE21 GLN 62 HE22 GLN 62 7.071 9.267 -12.555 506 HE22 GLN 62 HE21 GLN 62 5.517 9.682 -13.185 507 H ILE 63 H ILE 63 3.296 8.090 -9.455 508 HA ILE 63 HA ILE 63 1.446 6.096 -8.327 509 HB ILE 63 HB ILE 63 0.780 9.009 -8.739 510 HG12 ILE 63 HG13 ILE 63 2.457 8.734 -6.951 511 HG13 ILE 63 HG12 ILE 63 0.898 9.244 -6.309 512 HG21 ILE 63 HG21 ILE 63 -0.922 6.930 -8.658 513 HG22 ILE 63 HG22 ILE 63 -1.320 8.540 -8.057 514 HG23 ILE 63 HG23 ILE 63 -0.793 7.286 -6.936 515 HD11 ILE 63 HD11 ILE 63 2.081 7.489 -4.984 516 HD12 ILE 63 HD12 ILE 63 1.820 6.385 -6.335 517 HD13 ILE 63 HD13 ILE 63 0.440 7.071 -5.478 518 HA PRO 64 HA PRO 64 0.902 5.933 -12.871 519 HB2 PRO 64 HB2 PRO 64 -0.019 3.382 -12.912 520 HB3 PRO 64 HB3 PRO 64 1.702 3.780 -12.861 521 HG2 PRO 64 HG3 PRO 64 -0.124 2.981 -10.626 522 HG3 PRO 64 HG2 PRO 64 1.533 2.445 -10.962 523 HD2 PRO 64 HD3 PRO 64 0.966 4.325 -9.103 524 HD3 PRO 64 HD2 PRO 64 2.468 4.345 -10.049 525 H ALA 65 H ALA 65 -1.241 5.638 -10.222 526 HA ALA 65 HA ALA 65 -3.482 5.947 -9.978 527 HB1 ALA 65 HB1 ALA 65 -4.599 7.184 -11.962 528 HB2 ALA 65 HB2 ALA 65 -2.955 7.321 -12.584 529 HB3 ALA 65 HB3 ALA 65 -3.364 8.017 -11.017 530 H LEU 66 H LEU 66 -2.493 3.449 -11.109 531 HA LEU 66 HA LEU 66 -4.500 2.645 -13.047 532 HB2 LEU 66 HB3 LEU 66 -1.971 1.573 -12.025 533 HB3 LEU 66 HB2 LEU 66 -3.199 0.348 -12.284 534 HG LEU 66 HG LEU 66 -3.458 1.264 -14.630 535 HD11 LEU 66 HD11 LEU 66 -2.018 3.364 -13.746 536 HD12 LEU 66 HD12 LEU 66 -2.143 2.900 -15.444 537 HD13 LEU 66 HD13 LEU 66 -0.745 2.397 -14.492 538 HD21 LEU 66 HD21 LEU 66 -1.983 -0.728 -13.752 539 HD22 LEU 66 HD22 LEU 66 -0.659 0.315 -14.271 540 HD23 LEU 66 HD23 LEU 66 -1.885 -0.195 -15.431 541 H LYS 67 H LYS 67 -5.259 0.188 -12.464 542 HA LYS 67 HA LYS 67 -6.672 0.459 -9.895 543 HB2 LYS 67 HB3 LYS 67 -7.651 0.006 -12.499 544 HB3 LYS 67 HB2 LYS 67 -7.845 -1.515 -11.638 545 HG2 LYS 67 HG3 LYS 67 -8.694 0.576 -9.920 546 HG3 LYS 67 HG2 LYS 67 -9.444 0.820 -11.498 547 HD2 LYS 67 HD3 LYS 67 -10.351 -1.410 -11.469 548 HD3 LYS 67 HD2 LYS 67 -9.478 -1.787 -9.982 549 HE2 LYS 67 HE3 LYS 67 -11.334 -1.174 -8.905 550 HE3 LYS 67 HE2 LYS 67 -10.898 0.482 -9.325 551 HZ1 LYS 67 HZ1 LYS 67 -13.135 0.102 -9.992 552 HZ2 LYS 67 HZ2 LYS 67 -12.726 -1.317 -10.817 553 HZ3 LYS 67 HZ3 LYS 67 -12.200 0.181 -11.399 554 H ASN 68 H ASN 68 -4.815 -1.702 -11.940 555 HA ASN 68 HA ASN 68 -4.111 -3.308 -9.651 556 HB2 ASN 68 HB3 ASN 68 -6.291 -4.276 -10.495 557 HB3 ASN 68 HB2 ASN 68 -5.442 -4.694 -11.981 558 HD21 ASN 68 HD22 ASN 68 -4.179 -6.464 -12.033 559 HD22 ASN 68 HD21 ASN 68 -3.934 -7.528 -10.694 560 H VAL 69 H VAL 69 -2.042 -3.861 -9.826 561 HA VAL 69 HA VAL 69 -0.822 -3.845 -12.506 562 HB VAL 69 HB VAL 69 0.598 -3.420 -9.877 563 HG11 VAL 69 HG11 VAL 69 2.429 -2.619 -11.254 564 HG12 VAL 69 HG12 VAL 69 1.480 -2.897 -12.714 565 HG13 VAL 69 HG13 VAL 69 1.988 -4.262 -11.720 566 HG21 VAL 69 HG21 VAL 69 0.706 -1.012 -11.073 567 HG22 VAL 69 HG22 VAL 69 -0.524 -1.458 -9.892 568 HG23 VAL 69 HG23 VAL 69 -0.882 -1.552 -11.615 569 HA PRO 70 HA PRO 70 -0.065 -8.194 -11.969 570 HB2 PRO 70 HB2 PRO 70 1.935 -8.470 -13.809 571 HB3 PRO 70 HB3 PRO 70 0.225 -8.355 -14.236 572 HG2 PRO 70 HG3 PRO 70 2.331 -6.230 -14.263 573 HG3 PRO 70 HG2 PRO 70 1.063 -6.564 -15.457 574 HD2 PRO 70 HD3 PRO 70 0.838 -4.573 -13.656 575 HD3 PRO 70 HD2 PRO 70 -0.569 -5.506 -14.208 576 H ARG 71 H ARG 71 2.268 -9.524 -12.163 577 HA ARG 71 HA ARG 71 3.770 -8.485 -9.883 578 HB2 ARG 71 HB3 ARG 71 2.816 -10.805 -9.846 579 HB3 ARG 71 HB2 ARG 71 3.922 -11.224 -11.147 580 HG2 ARG 71 HG3 ARG 71 5.281 -11.869 -9.503 581 HG3 ARG 71 HG2 ARG 71 5.622 -10.148 -9.325 582 HD2 ARG 71 HD3 ARG 71 4.774 -10.168 -7.273 583 HD3 ARG 71 HD2 ARG 71 3.234 -10.762 -7.893 584 HE ARG 71 HE ARG 71 5.295 -12.295 -6.589 585 HH11 ARG 71 HH11 ARG 71 2.530 -12.418 -8.716 586 HH12 ARG 71 HH12 ARG 71 2.189 -14.082 -8.380 587 HH21 ARG 71 HH22 ARG 71 4.847 -14.483 -6.148 588 HH22 ARG 71 HH21 ARG 71 3.504 -15.255 -6.922 589 H LYS 72 H LYS 72 4.166 -7.294 -12.455 590 HA LYS 72 HA LYS 72 6.980 -8.030 -12.908 591 HB2 LYS 72 HB3 LYS 72 4.773 -7.787 -14.824 592 HB3 LYS 72 HB2 LYS 72 6.206 -6.879 -15.281 593 HG2 LYS 72 HG3 LYS 72 7.130 -8.735 -16.042 594 HG3 LYS 72 HG2 LYS 72 7.072 -9.426 -14.420 595 HD2 LYS 72 HD3 LYS 72 4.757 -10.180 -14.870 596 HD3 LYS 72 HD2 LYS 72 4.907 -9.569 -16.519 597 HE2 LYS 72 HE3 LYS 72 5.645 -11.612 -17.041 598 HE3 LYS 72 HE2 LYS 72 7.146 -11.139 -16.244 599 HZ1 LYS 72 HZ1 LYS 72 5.836 -13.298 -15.559 600 HZ2 LYS 72 HZ2 LYS 72 4.998 -12.208 -14.572 601 HZ3 LYS 72 HZ3 LYS 72 6.674 -12.375 -14.416 602 H ASP 73 H ASP 73 4.549 -5.459 -13.147 603 HA ASP 73 HA ASP 73 6.700 -3.466 -12.975 604 HB2 ASP 73 HB3 ASP 73 3.788 -3.074 -13.705 605 HB3 ASP 73 HB2 ASP 73 5.045 -1.841 -13.755 606 H THR 74 H THR 74 5.709 -5.061 -10.711 607 HA THR 74 HA THR 74 4.409 -3.000 -9.076 608 HB THR 74 HB THR 74 3.255 -5.095 -8.985 609 HG1 THR 74 HG1 THR 74 3.773 -3.942 -6.943 610 HG21 THR 74 HG21 THR 74 4.360 -7.142 -8.105 611 HG22 THR 74 HG22 THR 74 5.911 -6.335 -8.330 612 HG23 THR 74 HG23 THR 74 4.879 -6.666 -9.722 613 H HIS 75 H HIS 75 7.255 -2.973 -9.858 614 HA HIS 75 HA HIS 75 8.370 -2.822 -7.150 615 HB2 HIS 75 HB3 HIS 75 9.095 -4.791 -8.985 616 HB3 HIS 75 HB2 HIS 75 10.385 -3.598 -9.095 617 HD1 HIS 75 HD1 HIS 75 8.599 -4.361 -5.874 618 HD2 HIS 75 HD2 HIS 75 12.251 -5.100 -7.710 619 HE1 HIS 75 HE1 HIS 75 10.060 -5.357 -4.086 620 HE2 HIS 75 HE2 HIS 75 12.236 -5.879 -5.244 621 H LEU 76 H LEU 76 7.430 -1.014 -9.531 622 HA LEU 76 HA LEU 76 9.803 0.732 -9.492 623 HB2 LEU 76 HB3 LEU 76 7.794 0.208 -11.662 624 HB3 LEU 76 HB2 LEU 76 8.746 1.680 -11.643 625 HG LEU 76 HG LEU 76 9.988 -1.065 -11.622 626 HD11 LEU 76 HD11 LEU 76 10.176 -1.030 -13.946 627 HD12 LEU 76 HD12 LEU 76 9.739 0.675 -14.049 628 HD13 LEU 76 HD13 LEU 76 8.513 -0.525 -13.646 629 HD21 LEU 76 HD21 LEU 76 11.785 0.560 -12.758 630 HD22 LEU 76 HD22 LEU 76 11.707 0.277 -11.019 631 HD23 LEU 76 HD23 LEU 76 10.969 1.721 -11.711 632 H TYR 77 H TYR 77 6.658 0.389 -8.409 633 HA TYR 77 HA TYR 77 6.277 3.304 -8.244 634 HB2 TYR 77 HB3 TYR 77 4.230 1.082 -8.118 635 HB3 TYR 77 HB2 TYR 77 3.871 2.788 -7.874 636 HD1 TYR 77 HD2 TYR 77 5.201 4.205 -9.934 637 HD2 TYR 77 HD1 TYR 77 3.412 0.351 -10.142 638 HE1 TYR 77 HE2 TYR 77 4.886 4.488 -12.356 639 HE2 TYR 77 HE1 TYR 77 3.094 0.622 -12.565 640 HH TYR 77 HH TYR 77 2.891 2.502 -14.196 641 H ILE 78 H ILE 78 6.696 0.386 -6.443 642 HA ILE 78 HA ILE 78 6.844 1.911 -3.981 643 HB ILE 78 HB ILE 78 4.479 1.266 -4.043 644 HG12 ILE 78 HG13 ILE 78 6.060 -0.331 -2.014 645 HG13 ILE 78 HG12 ILE 78 5.673 1.382 -1.880 646 HG21 ILE 78 HG21 ILE 78 5.544 -1.548 -4.216 647 HG22 ILE 78 HG22 ILE 78 4.602 -0.693 -5.437 648 HG23 ILE 78 HG23 ILE 78 3.862 -1.125 -3.896 649 HD11 ILE 78 HD11 ILE 78 4.226 -0.620 -0.782 650 HD12 ILE 78 HD12 ILE 78 3.360 -0.365 -2.296 651 HD13 ILE 78 HD13 ILE 78 3.590 0.977 -1.176 652 H ALA 79 H ALA 79 8.223 1.022 -2.494 653 HA ALA 79 HA ALA 79 9.152 -1.712 -2.825 654 HB1 ALA 79 HB1 ALA 79 11.487 -1.127 -3.032 655 HB2 ALA 79 HB2 ALA 79 11.093 0.591 -2.971 656 HB3 ALA 79 HB3 ALA 79 10.574 -0.383 -4.346 657 HA PRO 80 HA PRO 80 9.409 -1.405 1.577 658 HB2 PRO 80 HB2 PRO 80 11.080 -3.460 2.123 659 HB3 PRO 80 HB3 PRO 80 9.417 -3.708 1.578 660 HG2 PRO 80 HG3 PRO 80 11.961 -3.820 0.004 661 HG3 PRO 80 HG2 PRO 80 10.564 -4.911 -0.049 662 HD2 PRO 80 HD3 PRO 80 10.971 -2.950 -1.882 663 HD3 PRO 80 HD2 PRO 80 9.352 -3.499 -1.404 664 H LYS 81 H LYS 81 10.439 0.426 2.213 665 HA LYS 81 HA LYS 81 13.174 0.982 1.684 666 HB2 LYS 81 HB3 LYS 81 10.990 2.432 2.579 667 HB3 LYS 81 HB2 LYS 81 12.047 2.389 3.982 668 HG2 LYS 81 HG3 LYS 81 13.373 3.036 1.443 669 HG3 LYS 81 HG2 LYS 81 12.198 4.224 2.009 670 HD2 LYS 81 HD3 LYS 81 13.528 3.724 4.304 671 HD3 LYS 81 HD2 LYS 81 14.816 3.458 3.128 672 HE2 LYS 81 HE3 LYS 81 13.081 5.911 3.081 673 HE3 LYS 81 HE2 LYS 81 14.548 5.818 4.054 674 HZ1 LYS 81 HZ1 LYS 81 15.479 5.006 1.708 675 HZ2 LYS 81 HZ2 LYS 81 15.462 6.631 2.179 676 HZ3 LYS 81 HZ3 LYS 81 14.245 6.029 1.171 677 H THR 82 H THR 82 14.666 -0.386 2.481 678 HA THR 82 HA THR 82 14.848 -0.623 5.386 679 HB THR 82 HB THR 82 15.578 -3.121 4.056 680 HG1 THR 82 HG1 THR 82 13.611 -3.735 3.406 681 HG21 THR 82 HG21 THR 82 13.575 -3.637 5.879 682 HG22 THR 82 HG22 THR 82 14.420 -2.244 6.554 683 HG23 THR 82 HG23 THR 82 15.312 -3.716 6.171 684 H LYS 83 H LYS 83 16.915 -0.672 6.165 685 HA LYS 83 HA LYS 83 19.123 -0.930 4.262 686 HB2 LYS 83 HB3 LYS 83 18.603 1.447 6.040 687 HB3 LYS 83 HB2 LYS 83 20.202 1.085 5.403 688 HG2 LYS 83 HG3 LYS 83 19.203 1.163 3.107 689 HG3 LYS 83 HG2 LYS 83 17.719 1.764 3.849 690 HD2 LYS 83 HD3 LYS 83 19.485 3.456 4.952 691 HD3 LYS 83 HD2 LYS 83 20.322 3.108 3.438 692 HE2 LYS 83 HE3 LYS 83 18.997 4.982 2.965 693 HE3 LYS 83 HE2 LYS 83 18.101 3.620 2.292 694 HZ1 LYS 83 HZ1 LYS 83 17.453 5.334 4.558 695 HZ2 LYS 83 HZ2 LYS 83 17.043 3.699 4.707 696 HZ3 LYS 83 HZ3 LYS 83 16.431 4.610 3.421 697 H GLU 84 H GLU 84 18.097 -2.659 6.346 698 HA GLU 84 HA GLU 84 20.260 -2.541 8.332 699 HB2 GLU 84 HB3 GLU 84 18.882 -4.070 9.675 700 HB3 GLU 84 HB2 GLU 84 18.018 -2.590 9.286 701 HG2 GLU 84 HG3 GLU 84 16.349 -3.880 8.611 702 HG3 GLU 84 HG2 GLU 84 17.350 -4.297 7.221 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -5.513 8.066 -6.485 2 H2 MET 1 H2 MET 1 -4.350 7.345 -7.516 3 H3 MET 1 H3 MET 1 -3.853 8.091 -6.052 4 HA MET 1 HA MET 1 -5.696 5.809 -6.144 5 HB2 MET 1 HB3 MET 1 -3.198 5.665 -7.132 6 HB3 MET 1 HB2 MET 1 -2.835 5.455 -5.424 7 HG2 MET 1 HG3 MET 1 -3.223 3.298 -5.782 8 HG3 MET 1 HG2 MET 1 -4.929 3.739 -5.781 9 HE1 MET 1 HE1 MET 1 -5.651 4.152 -9.608 10 HE2 MET 1 HE2 MET 1 -4.917 5.452 -8.669 11 HE3 MET 1 HE3 MET 1 -6.205 4.473 -7.965 12 H ARG 2 H ARG 2 -5.462 4.595 -4.044 13 HA ARG 2 HA ARG 2 -4.807 6.383 -1.806 14 HB2 ARG 2 HB3 ARG 2 -7.289 4.665 -1.970 15 HB3 ARG 2 HB2 ARG 2 -6.830 5.705 -0.629 16 HG2 ARG 2 HG3 ARG 2 -7.841 7.435 -1.567 17 HG3 ARG 2 HG2 ARG 2 -6.885 7.244 -3.037 18 HD2 ARG 2 HD3 ARG 2 -8.814 6.753 -4.048 19 HD3 ARG 2 HD2 ARG 2 -8.721 5.200 -3.219 20 HE ARG 2 HE ARG 2 -9.929 6.799 -1.403 21 HH11 ARG 2 HH11 ARG 2 -10.570 6.090 -4.760 22 HH12 ARG 2 HH12 ARG 2 -12.279 6.326 -4.613 23 HH21 ARG 2 HH22 ARG 2 -12.178 7.111 -1.209 24 HH22 ARG 2 HH21 ARG 2 -13.192 6.907 -2.598 25 H ILE 3 H ILE 3 -4.335 5.301 0.191 26 HA ILE 3 HA ILE 3 -2.621 3.149 0.000 27 HB ILE 3 HB ILE 3 -2.730 4.665 1.932 28 HG12 ILE 3 HG13 ILE 3 -1.758 2.251 1.931 29 HG13 ILE 3 HG12 ILE 3 -1.918 3.111 3.454 30 HG21 ILE 3 HG21 ILE 3 -5.269 3.172 2.538 31 HG22 ILE 3 HG22 ILE 3 -5.056 4.907 2.299 32 HG23 ILE 3 HG23 ILE 3 -4.396 4.127 3.736 33 HD11 ILE 3 HD11 ILE 3 -4.299 1.593 2.865 34 HD12 ILE 3 HD12 ILE 3 -3.244 1.539 4.277 35 HD13 ILE 3 HD13 ILE 3 -2.861 0.575 2.851 36 H ASP 4 H ASP 4 -6.083 3.119 0.171 37 HA ASP 4 HA ASP 4 -6.348 0.424 1.056 38 HB2 ASP 4 HB3 ASP 4 -8.715 0.693 0.141 39 HB3 ASP 4 HB2 ASP 4 -8.231 1.798 1.423 40 H LYS 5 H LYS 5 -6.782 1.923 -2.161 41 HA LYS 5 HA LYS 5 -6.752 -0.715 -3.386 42 HB2 LYS 5 HB3 LYS 5 -7.843 1.852 -4.054 43 HB3 LYS 5 HB2 LYS 5 -6.827 1.292 -5.376 44 HG2 LYS 5 HG3 LYS 5 -8.826 0.378 -5.976 45 HG3 LYS 5 HG2 LYS 5 -8.156 -0.946 -5.020 46 HD2 LYS 5 HD3 LYS 5 -9.399 0.493 -3.092 47 HD3 LYS 5 HD2 LYS 5 -10.447 0.821 -4.474 48 HE2 LYS 5 HE3 LYS 5 -9.611 -1.989 -4.001 49 HE3 LYS 5 HE2 LYS 5 -10.797 -1.289 -2.899 50 HZ1 LYS 5 HZ1 LYS 5 -11.051 -1.392 -5.857 51 HZ2 LYS 5 HZ2 LYS 5 -12.196 -0.756 -4.786 52 HZ3 LYS 5 HZ3 LYS 5 -11.849 -2.411 -4.770 53 H PHE 6 H PHE 6 -4.413 1.471 -2.485 54 HA PHE 6 HA PHE 6 -2.739 1.327 -4.804 55 HB2 PHE 6 HB3 PHE 6 -2.647 3.235 -3.257 56 HB3 PHE 6 HB2 PHE 6 -2.057 2.172 -1.984 57 HD1 PHE 6 HD1 PHE 6 -1.225 3.876 -5.110 58 HD2 PHE 6 HD2 PHE 6 0.210 1.352 -1.999 59 HE1 PHE 6 HE1 PHE 6 1.084 4.269 -5.862 60 HE2 PHE 6 HE2 PHE 6 2.522 1.742 -2.744 61 HZ PHE 6 HZ PHE 6 2.962 3.201 -4.677 62 H LEU 7 H LEU 7 -2.028 0.198 -1.489 63 HA LEU 7 HA LEU 7 -0.064 -1.637 -2.477 64 HB2 LEU 7 HB3 LEU 7 0.234 -2.265 -0.138 65 HB3 LEU 7 HB2 LEU 7 0.267 -0.527 -0.358 66 HG LEU 7 HG LEU 7 -2.234 -0.623 0.328 67 HD11 LEU 7 HD11 LEU 7 -1.218 -3.317 1.168 68 HD12 LEU 7 HD12 LEU 7 -2.718 -2.907 0.336 69 HD13 LEU 7 HD13 LEU 7 -2.519 -2.508 2.042 70 HD21 LEU 7 HD21 LEU 7 -1.428 -0.795 2.799 71 HD22 LEU 7 HD22 LEU 7 -0.853 0.520 1.776 72 HD23 LEU 7 HD23 LEU 7 0.176 -0.880 2.071 73 H GLN 8 H GLN 8 -3.413 -1.823 -2.071 74 HA GLN 8 HA GLN 8 -3.439 -4.690 -1.609 75 HB2 GLN 8 HB3 GLN 8 -5.697 -2.738 -2.050 76 HB3 GLN 8 HB2 GLN 8 -5.888 -4.428 -1.601 77 HG2 GLN 8 HG3 GLN 8 -4.454 -3.855 0.436 78 HG3 GLN 8 HG2 GLN 8 -4.775 -2.170 0.026 79 HE21 GLN 8 HE22 GLN 8 -7.415 -2.503 -0.908 80 HE22 GLN 8 HE21 GLN 8 -8.419 -2.886 0.444 81 H SER 9 H SER 9 -3.407 -2.534 -4.259 82 HA SER 9 HA SER 9 -4.582 -4.519 -6.063 83 HB2 SER 9 HB3 SER 9 -3.783 -1.637 -6.523 84 HB3 SER 9 HB2 SER 9 -4.455 -2.695 -7.762 85 HG SER 9 HG SER 9 -6.372 -2.727 -6.716 86 H VAL 10 H VAL 10 -1.605 -2.661 -5.567 87 HA VAL 10 HA VAL 10 -0.138 -3.490 -7.756 88 HB VAL 10 HB VAL 10 1.895 -3.198 -6.296 89 HG11 VAL 10 HG11 VAL 10 0.788 -1.367 -7.582 90 HG12 VAL 10 HG12 VAL 10 1.667 -0.823 -6.153 91 HG13 VAL 10 HG13 VAL 10 -0.092 -0.941 -6.113 92 HG21 VAL 10 HG21 VAL 10 -0.220 -3.140 -4.238 93 HG22 VAL 10 HG22 VAL 10 1.061 -1.940 -4.077 94 HG23 VAL 10 HG23 VAL 10 1.462 -3.656 -4.126 95 H GLY 11 H GLY 11 -0.395 -5.088 -4.584 96 HA2 GLY 11 HA3 GLY 11 -0.621 -7.617 -4.944 97 HA3 GLY 11 HA2 GLY 11 0.928 -7.447 -5.755 98 H LEU 12 H LEU 12 -0.523 -6.357 -2.683 99 HA LEU 12 HA LEU 12 1.860 -7.412 -1.309 100 HB2 LEU 12 HB3 LEU 12 0.849 -4.729 -1.384 101 HB3 LEU 12 HB2 LEU 12 0.732 -5.339 0.254 102 HG LEU 12 HG LEU 12 3.258 -5.307 -1.399 103 HD11 LEU 12 HD11 LEU 12 3.174 -3.110 -0.918 104 HD12 LEU 12 HD12 LEU 12 3.714 -3.641 0.675 105 HD13 LEU 12 HD13 LEU 12 2.003 -3.330 0.381 106 HD21 LEU 12 HD21 LEU 12 3.310 -5.609 1.536 107 HD22 LEU 12 HD22 LEU 12 4.327 -6.347 0.297 108 HD23 LEU 12 HD23 LEU 12 2.718 -6.994 0.619 109 H VAL 13 H VAL 13 -1.576 -6.635 -1.091 110 HA VAL 13 HA VAL 13 -1.950 -8.902 0.697 111 HB VAL 13 HB VAL 13 -1.655 -7.017 2.230 112 HG11 VAL 13 HG11 VAL 13 -2.451 -5.299 0.557 113 HG12 VAL 13 HG12 VAL 13 -3.015 -5.083 2.214 114 HG13 VAL 13 HG13 VAL 13 -4.095 -5.763 0.996 115 HG21 VAL 13 HG21 VAL 13 -3.134 -8.720 2.983 116 HG22 VAL 13 HG22 VAL 13 -4.456 -8.096 1.996 117 HG23 VAL 13 HG23 VAL 13 -3.882 -7.174 3.385 118 H LYS 14 H LYS 14 -3.847 -9.947 0.364 119 HA LYS 14 HA LYS 14 -5.312 -9.496 -1.967 120 HB2 LYS 14 HB3 LYS 14 -5.881 -11.111 0.506 121 HB3 LYS 14 HB2 LYS 14 -7.021 -11.050 -0.831 122 HG2 LYS 14 HG3 LYS 14 -4.457 -11.609 -1.903 123 HG3 LYS 14 HG2 LYS 14 -4.721 -12.683 -0.528 124 HD2 LYS 14 HD3 LYS 14 -6.732 -13.534 -1.475 125 HD3 LYS 14 HD2 LYS 14 -6.743 -12.288 -2.726 126 HE2 LYS 14 HE3 LYS 14 -5.255 -13.389 -4.015 127 HE3 LYS 14 HE2 LYS 14 -4.324 -13.960 -2.632 128 HZ1 LYS 14 HZ1 LYS 14 -5.842 -15.719 -2.284 129 HZ2 LYS 14 HZ2 LYS 14 -5.499 -15.719 -3.940 130 HZ3 LYS 14 HZ3 LYS 14 -6.963 -15.085 -3.380 131 H ARG 15 H ARG 15 -7.649 -9.044 -2.140 132 HA ARG 15 HA ARG 15 -8.694 -7.258 -0.072 133 HB2 ARG 15 HB3 ARG 15 -9.343 -5.591 -1.794 134 HB3 ARG 15 HB2 ARG 15 -7.602 -5.753 -1.613 135 HG2 ARG 15 HG3 ARG 15 -7.632 -5.838 -3.852 136 HG3 ARG 15 HG2 ARG 15 -8.053 -7.532 -3.591 137 HD2 ARG 15 HD3 ARG 15 -10.155 -7.251 -4.336 138 HD3 ARG 15 HD2 ARG 15 -10.332 -5.688 -3.541 139 HE ARG 15 HE ARG 15 -8.598 -5.587 -5.816 140 HH11 ARG 15 HH11 ARG 15 -11.934 -5.522 -4.797 141 HH12 ARG 15 HH12 ARG 15 -12.474 -4.653 -6.194 142 HH21 ARG 15 HH22 ARG 15 -9.305 -4.445 -7.654 143 HH22 ARG 15 HH21 ARG 15 -10.981 -4.042 -7.817 144 H ARG 16 H ARG 16 -10.986 -6.413 -1.143 145 HA ARG 16 HA ARG 16 -13.113 -6.974 -1.724 146 HB2 ARG 16 HB3 ARG 16 -11.929 -7.947 -3.760 147 HB3 ARG 16 HB2 ARG 16 -12.027 -9.505 -2.953 148 HG2 ARG 16 HG3 ARG 16 -14.572 -8.077 -3.071 149 HG3 ARG 16 HG2 ARG 16 -13.897 -8.478 -4.651 150 HD2 ARG 16 HD3 ARG 16 -14.122 -10.504 -2.444 151 HD3 ARG 16 HD2 ARG 16 -15.441 -10.193 -3.567 152 HE ARG 16 HE ARG 16 -14.142 -11.084 -5.314 153 HH11 ARG 16 HH11 ARG 16 -12.501 -11.261 -2.230 154 HH12 ARG 16 HH12 ARG 16 -11.355 -12.437 -2.774 155 HH21 ARG 16 HH22 ARG 16 -12.632 -12.628 -6.019 156 HH22 ARG 16 HH21 ARG 16 -11.428 -13.212 -4.920 157 H VAL 17 H VAL 17 -13.625 -7.236 0.475 158 HA VAL 17 HA VAL 17 -14.628 -9.818 1.146 159 HB VAL 17 HB VAL 17 -12.263 -10.168 1.744 160 HG11 VAL 17 HG11 VAL 17 -12.445 -8.292 4.030 161 HG12 VAL 17 HG12 VAL 17 -12.140 -7.603 2.436 162 HG13 VAL 17 HG13 VAL 17 -11.041 -8.814 3.097 163 HG21 VAL 17 HG21 VAL 17 -13.508 -10.028 4.408 164 HG22 VAL 17 HG22 VAL 17 -12.803 -11.400 3.552 165 HG23 VAL 17 HG23 VAL 17 -14.443 -10.871 3.173 166 H LEU 18 H LEU 18 -15.867 -7.383 0.857 167 HA LEU 18 HA LEU 18 -17.391 -6.026 1.860 168 HB2 LEU 18 HB3 LEU 18 -17.611 -8.400 3.154 169 HB3 LEU 18 HB2 LEU 18 -17.221 -7.341 4.497 170 HG LEU 18 HG LEU 18 -19.559 -7.050 2.610 171 HD11 LEU 18 HD11 LEU 18 -19.578 -8.844 4.431 172 HD12 LEU 18 HD12 LEU 18 -20.929 -7.711 4.386 173 HD13 LEU 18 HD13 LEU 18 -19.643 -7.503 5.575 174 HD21 LEU 18 HD21 LEU 18 -19.250 -4.861 3.097 175 HD22 LEU 18 HD22 LEU 18 -18.324 -5.201 4.559 176 HD23 LEU 18 HD23 LEU 18 -20.084 -5.321 4.581 177 H ALA 19 H ALA 19 -16.342 -4.106 1.980 178 HA ALA 19 HA ALA 19 -15.310 -2.300 2.902 179 HB1 ALA 19 HB1 ALA 19 -15.226 -2.292 5.472 180 HB2 ALA 19 HB2 ALA 19 -16.130 -3.802 5.362 181 HB3 ALA 19 HB3 ALA 19 -16.806 -2.319 4.688 182 H THR 20 H THR 20 -13.342 -1.580 4.066 183 HA THR 20 HA THR 20 -11.155 -3.318 3.455 184 HB THR 20 HB THR 20 -9.754 -1.468 4.327 185 HG1 THR 20 HG1 THR 20 -11.102 -0.704 5.960 186 HG21 THR 20 HG21 THR 20 -10.674 -1.402 1.998 187 HG22 THR 20 HG22 THR 20 -10.240 0.160 2.691 188 HG23 THR 20 HG23 THR 20 -11.933 -0.329 2.609 189 H ASP 21 H ASP 21 -9.298 -3.349 5.212 190 HA ASP 21 HA ASP 21 -10.454 -4.120 7.802 191 HB2 ASP 21 HB3 ASP 21 -9.069 -5.820 5.876 192 HB3 ASP 21 HB2 ASP 21 -8.321 -5.859 7.469 193 H MET 22 H MET 22 -7.517 -3.278 6.007 194 HA MET 22 HA MET 22 -5.699 -3.019 8.048 195 HB2 MET 22 HB3 MET 22 -6.058 -1.725 5.406 196 HB3 MET 22 HB2 MET 22 -4.960 -0.926 6.522 197 HG2 MET 22 HG3 MET 22 -3.813 -2.475 5.010 198 HG3 MET 22 HG2 MET 22 -3.620 -2.913 6.706 199 HE1 MET 22 HE1 MET 22 -3.192 -5.619 6.672 200 HE2 MET 22 HE2 MET 22 -4.755 -6.374 6.980 201 HE3 MET 22 HE3 MET 22 -4.327 -4.871 7.796 202 H CYS 23 H CYS 23 -8.000 -0.551 6.924 203 HA CYS 23 HA CYS 23 -7.235 1.467 8.714 204 HB2 CYS 23 HB3 CYS 23 -8.610 1.966 6.782 205 HB3 CYS 23 HB2 CYS 23 -9.903 0.939 7.392 206 HG CYS 23 HG CYS 23 -9.136 3.663 8.687 207 H ASN 24 H ASN 24 -8.977 -1.445 9.236 208 HA ASN 24 HA ASN 24 -10.172 -0.479 11.716 209 HB2 ASN 24 HB3 ASN 24 -10.685 -2.679 9.868 210 HB3 ASN 24 HB2 ASN 24 -10.702 -3.195 11.552 211 HD21 ASN 24 HD22 ASN 24 -12.745 -3.355 12.136 212 HD22 ASN 24 HD21 ASN 24 -13.969 -2.163 11.878 213 H VAL 25 H VAL 25 -7.938 -3.026 10.629 214 HA VAL 25 HA VAL 25 -7.270 -3.950 13.210 215 HB VAL 25 HB VAL 25 -5.357 -5.049 12.158 216 HG11 VAL 25 HG11 VAL 25 -8.093 -5.229 11.129 217 HG12 VAL 25 HG12 VAL 25 -7.023 -6.491 11.740 218 HG13 VAL 25 HG13 VAL 25 -6.870 -5.936 10.073 219 HG21 VAL 25 HG21 VAL 25 -5.380 -4.677 9.518 220 HG22 VAL 25 HG22 VAL 25 -4.369 -3.721 10.601 221 HG23 VAL 25 HG23 VAL 25 -5.903 -3.071 10.022 222 H GLY 26 H GLY 26 -6.103 -1.294 11.277 223 HA2 GLY 26 HA3 GLY 26 -5.023 0.587 12.257 224 HA3 GLY 26 HA2 GLY 26 -4.431 -0.458 13.539 225 H ALA 27 H ALA 27 -4.238 -0.529 9.981 226 HA ALA 27 HA ALA 27 -1.319 -0.838 10.254 227 HB1 ALA 27 HB1 ALA 27 -1.760 -1.864 7.817 228 HB2 ALA 27 HB2 ALA 27 -3.302 -2.249 8.580 229 HB3 ALA 27 HB3 ALA 27 -1.797 -2.829 9.292 230 H VAL 28 H VAL 28 -3.935 0.656 8.429 231 HA VAL 28 HA VAL 28 -2.440 1.910 6.445 232 HB VAL 28 HB VAL 28 -4.318 3.488 6.269 233 HG11 VAL 28 HG11 VAL 28 -5.542 1.957 5.200 234 HG12 VAL 28 HG12 VAL 28 -5.830 1.030 6.672 235 HG13 VAL 28 HG13 VAL 28 -4.335 0.800 5.763 236 HG21 VAL 28 HG21 VAL 28 -5.078 2.277 8.895 237 HG22 VAL 28 HG22 VAL 28 -6.306 2.954 7.824 238 HG23 VAL 28 HG23 VAL 28 -5.004 3.977 8.431 239 H TRP 29 H TRP 29 -0.713 3.139 6.817 240 HA TRP 29 HA TRP 29 -1.004 5.444 8.592 241 HB2 TRP 29 HB3 TRP 29 1.071 3.297 8.813 242 HB3 TRP 29 HB2 TRP 29 1.480 4.948 9.263 243 HD1 TRP 29 HD1 TRP 29 -1.369 2.438 10.123 244 HE1 TRP 29 HE1 TRP 29 -1.885 2.672 12.634 245 HE3 TRP 29 HE3 TRP 29 1.924 6.172 11.287 246 HZ2 TRP 29 HZ2 TRP 29 -1.012 4.231 14.819 247 HZ3 TRP 29 HZ3 TRP 29 2.021 6.977 13.610 248 HH2 TRP 29 HH2 TRP 29 0.583 6.026 15.338 249 H LEU 30 H LEU 30 -0.875 7.014 7.117 250 HA LEU 30 HA LEU 30 1.151 6.855 5.011 251 HB2 LEU 30 HB3 LEU 30 -1.469 7.640 4.940 252 HB3 LEU 30 HB2 LEU 30 -0.642 9.182 5.053 253 HG LEU 30 HG LEU 30 0.737 8.488 3.064 254 HD11 LEU 30 HD11 LEU 30 -1.321 6.496 2.342 255 HD12 LEU 30 HD12 LEU 30 -0.118 6.000 3.533 256 HD13 LEU 30 HD13 LEU 30 0.395 6.556 1.940 257 HD21 LEU 30 HD21 LEU 30 -1.551 9.817 3.153 258 HD22 LEU 30 HD22 LEU 30 -2.109 8.427 2.223 259 HD23 LEU 30 HD23 LEU 30 -0.772 9.408 1.625 260 H ASN 31 H ASN 31 3.003 7.921 5.179 261 HA ASN 31 HA ASN 31 4.615 9.369 5.867 262 HB2 ASN 31 HB3 ASN 31 2.506 10.934 5.161 263 HB3 ASN 31 HB2 ASN 31 2.741 11.434 6.834 264 HD21 ASN 31 HD22 ASN 31 3.886 11.621 3.637 265 HD22 ASN 31 HD21 ASN 31 5.264 12.619 3.938 266 H GLY 32 H GLY 32 3.443 7.479 7.763 267 HA2 GLY 32 HA3 GLY 32 3.927 6.939 9.958 268 HA3 GLY 32 HA2 GLY 32 4.669 8.520 10.142 269 H SER 33 H SER 33 1.398 8.173 8.989 270 HA SER 33 HA SER 33 0.334 8.832 11.635 271 HB2 SER 33 HB3 SER 33 -1.169 10.463 9.986 272 HB3 SER 33 HB2 SER 33 0.140 10.999 11.040 273 HG SER 33 HG SER 33 0.317 10.303 8.296 274 H CYS 34 H CYS 34 -1.639 7.974 12.051 275 HA CYS 34 HA CYS 34 -2.598 5.862 10.492 276 HB2 CYS 34 HB3 CYS 34 -3.008 6.444 12.998 277 HB3 CYS 34 HB2 CYS 34 -4.381 7.360 12.388 278 HG CYS 34 HG CYS 34 -4.125 4.278 12.318 279 H ALA 35 H ALA 35 -3.998 5.716 8.849 280 HA ALA 35 HA ALA 35 -5.453 8.155 8.056 281 HB1 ALA 35 HB1 ALA 35 -4.946 7.835 5.831 282 HB2 ALA 35 HB2 ALA 35 -4.625 6.113 6.041 283 HB3 ALA 35 HB3 ALA 35 -3.456 7.305 6.611 284 H LYS 36 H LYS 36 -7.040 7.197 6.092 285 HA LYS 36 HA LYS 36 -8.708 5.221 7.501 286 HB2 LYS 36 HB3 LYS 36 -9.415 7.748 6.851 287 HB3 LYS 36 HB2 LYS 36 -9.927 6.907 5.395 288 HG2 LYS 36 HG3 LYS 36 -11.690 6.003 6.408 289 HG3 LYS 36 HG2 LYS 36 -10.749 5.543 7.827 290 HD2 LYS 36 HD3 LYS 36 -10.848 8.196 8.202 291 HD3 LYS 36 HD2 LYS 36 -12.357 7.973 7.316 292 HE2 LYS 36 HE3 LYS 36 -11.711 6.157 9.594 293 HE3 LYS 36 HE2 LYS 36 -12.302 7.784 9.929 294 HZ1 LYS 36 HZ1 LYS 36 -13.674 5.640 8.408 295 HZ2 LYS 36 HZ2 LYS 36 -14.200 7.248 8.411 296 HZ3 LYS 36 HZ3 LYS 36 -14.172 6.364 9.853 297 H ALA 37 H ALA 37 -10.463 4.551 5.516 298 HA ALA 37 HA ALA 37 -8.743 2.985 3.745 299 HB1 ALA 37 HB1 ALA 37 -11.405 2.199 3.374 300 HB2 ALA 37 HB2 ALA 37 -11.234 2.509 5.101 301 HB3 ALA 37 HB3 ALA 37 -10.158 1.365 4.301 302 H SER 38 H SER 38 -9.395 5.873 3.337 303 HA SER 38 HA SER 38 -10.003 5.678 0.528 304 HB2 SER 38 HB3 SER 38 -11.728 7.757 1.432 305 HB3 SER 38 HB2 SER 38 -12.163 6.266 0.598 306 HG SER 38 HG SER 38 -12.674 6.944 3.108 307 H LYS 39 H LYS 39 -7.834 6.577 2.340 308 HA LYS 39 HA LYS 39 -7.744 9.452 1.895 309 HB2 LYS 39 HB3 LYS 39 -6.837 7.944 3.950 310 HB3 LYS 39 HB2 LYS 39 -5.372 8.054 2.982 311 HG2 LYS 39 HG3 LYS 39 -6.508 10.646 3.124 312 HG3 LYS 39 HG2 LYS 39 -6.486 9.971 4.754 313 HD2 LYS 39 HD3 LYS 39 -4.020 9.261 3.823 314 HD3 LYS 39 HD2 LYS 39 -4.270 10.819 3.033 315 HE2 LYS 39 HE3 LYS 39 -4.769 10.451 5.968 316 HE3 LYS 39 HE2 LYS 39 -3.155 10.794 5.347 317 HZ1 LYS 39 HZ1 LYS 39 -5.253 12.590 5.835 318 HZ2 LYS 39 HZ2 LYS 39 -4.925 12.607 4.174 319 HZ3 LYS 39 HZ3 LYS 39 -3.690 12.927 5.285 320 H GLU 40 H GLU 40 -7.168 10.105 -0.071 321 HA GLU 40 HA GLU 40 -5.818 8.592 -1.986 322 HB2 GLU 40 HB3 GLU 40 -7.192 10.792 -2.211 323 HB3 GLU 40 HB2 GLU 40 -5.647 11.587 -1.944 324 HG2 GLU 40 HG3 GLU 40 -4.837 10.011 -3.861 325 HG3 GLU 40 HG2 GLU 40 -6.555 9.932 -4.247 326 H VAL 41 H VAL 41 -3.719 8.311 -2.527 327 HA VAL 41 HA VAL 41 -1.722 9.456 -0.697 328 HB VAL 41 HB VAL 41 -0.246 7.607 -1.422 329 HG11 VAL 41 HG11 VAL 41 -2.665 6.156 -0.573 330 HG12 VAL 41 HG12 VAL 41 -2.212 7.540 0.423 331 HG13 VAL 41 HG13 VAL 41 -1.064 6.228 0.163 332 HG21 VAL 41 HG21 VAL 41 -2.106 5.795 -2.516 333 HG22 VAL 41 HG22 VAL 41 -0.692 6.501 -3.296 334 HG23 VAL 41 HG23 VAL 41 -2.261 7.294 -3.431 335 H LYS 42 H LYS 42 0.572 9.361 -1.912 336 HA LYS 42 HA LYS 42 0.321 10.472 -4.603 337 HB2 LYS 42 HB3 LYS 42 0.524 12.154 -2.444 338 HB3 LYS 42 HB2 LYS 42 2.207 11.965 -2.918 339 HG2 LYS 42 HG3 LYS 42 1.818 13.605 -4.368 340 HG3 LYS 42 HG2 LYS 42 0.951 12.398 -5.319 341 HD2 LYS 42 HD3 LYS 42 -0.717 13.927 -5.159 342 HD3 LYS 42 HD2 LYS 42 -1.002 13.098 -3.628 343 HE2 LYS 42 HE3 LYS 42 -0.997 15.535 -3.361 344 HE3 LYS 42 HE2 LYS 42 0.305 14.770 -2.451 345 HZ1 LYS 42 HZ1 LYS 42 0.791 15.817 -5.164 346 HZ2 LYS 42 HZ2 LYS 42 1.898 15.550 -3.913 347 HZ3 LYS 42 HZ3 LYS 42 0.824 16.854 -3.828 348 H ALA 43 H ALA 43 2.607 10.922 -5.504 349 HA ALA 43 HA ALA 43 4.083 8.478 -5.291 350 HB1 ALA 43 HB1 ALA 43 5.672 9.884 -6.856 351 HB2 ALA 43 HB2 ALA 43 4.255 10.928 -6.967 352 HB3 ALA 43 HB3 ALA 43 4.143 9.235 -7.448 353 H GLY 44 H GLY 44 6.357 8.313 -4.797 354 HA2 GLY 44 HA3 GLY 44 8.171 8.633 -3.429 355 HA3 GLY 44 HA2 GLY 44 7.894 10.354 -3.650 356 H ASP 45 H ASP 45 5.517 8.218 -2.229 357 HA ASP 45 HA ASP 45 5.871 9.639 0.323 358 HB2 ASP 45 HB3 ASP 45 3.625 9.546 -1.125 359 HB3 ASP 45 HB2 ASP 45 3.408 8.056 -0.212 360 H THR 46 H THR 46 5.151 8.308 2.272 361 HA THR 46 HA THR 46 6.442 5.679 2.086 362 HB THR 46 HB THR 46 5.878 7.399 4.509 363 HG1 THR 46 HG1 THR 46 7.539 8.148 3.047 364 HG21 THR 46 HG21 THR 46 7.939 5.439 4.864 365 HG22 THR 46 HG22 THR 46 6.415 4.664 4.433 366 HG23 THR 46 HG23 THR 46 6.493 5.739 5.828 367 H ILE 47 H ILE 47 5.398 3.836 2.590 368 HA ILE 47 HA ILE 47 2.583 4.068 3.440 369 HB ILE 47 HB ILE 47 3.795 1.917 1.697 370 HG12 ILE 47 HG13 ILE 47 3.633 4.095 0.548 371 HG13 ILE 47 HG12 ILE 47 2.516 2.914 -0.130 372 HG21 ILE 47 HG21 ILE 47 2.041 0.775 2.543 373 HG22 ILE 47 HG22 ILE 47 1.131 1.707 1.354 374 HG23 ILE 47 HG23 ILE 47 1.188 2.238 3.035 375 HD11 ILE 47 HD11 ILE 47 0.922 4.087 1.692 376 HD12 ILE 47 HD12 ILE 47 1.066 4.618 0.016 377 HD13 ILE 47 HD13 ILE 47 1.985 5.434 1.281 378 H SER 48 H SER 48 2.707 3.673 5.593 379 HA SER 48 HA SER 48 4.410 1.573 6.626 380 HB2 SER 48 HB3 SER 48 4.393 3.320 8.130 381 HB3 SER 48 HB2 SER 48 2.705 3.718 7.812 382 HG SER 48 HG SER 48 3.548 2.447 9.859 383 H LEU 49 H LEU 49 3.644 -0.187 7.909 384 HA LEU 49 HA LEU 49 0.840 -0.909 7.727 385 HB2 LEU 49 HB3 LEU 49 3.021 -2.274 6.221 386 HB3 LEU 49 HB2 LEU 49 1.749 -3.263 6.913 387 HG LEU 49 HG LEU 49 0.925 -0.923 5.274 388 HD11 LEU 49 HD11 LEU 49 2.862 -2.381 4.186 389 HD12 LEU 49 HD12 LEU 49 1.504 -1.764 3.247 390 HD13 LEU 49 HD13 LEU 49 1.498 -3.434 3.812 391 HD21 LEU 49 HD21 LEU 49 -0.215 -3.632 4.970 392 HD22 LEU 49 HD22 LEU 49 -1.016 -2.063 5.055 393 HD23 LEU 49 HD23 LEU 49 -0.450 -2.845 6.531 394 H HIS 50 H HIS 50 0.420 -1.341 9.789 395 HA HIS 50 HA HIS 50 2.436 -2.439 11.544 396 HB2 HIS 50 HB3 HIS 50 0.580 -0.663 12.079 397 HB3 HIS 50 HB2 HIS 50 -0.426 -2.082 12.352 398 HD1 HIS 50 HD1 HIS 50 2.485 -0.210 13.764 399 HD2 HIS 50 HD2 HIS 50 0.189 -3.558 14.652 400 HE1 HIS 50 HE1 HIS 50 3.097 -0.839 16.121 401 HE2 HIS 50 HE2 HIS 50 1.759 -2.919 16.605 402 H TYR 51 H TYR 51 2.797 -4.536 11.736 403 HA TYR 51 HA TYR 51 0.534 -6.392 11.403 404 HB2 TYR 51 HB3 TYR 51 3.303 -6.504 10.275 405 HB3 TYR 51 HB2 TYR 51 2.479 -8.009 10.662 406 HD1 TYR 51 HD2 TYR 51 1.551 -4.776 9.016 407 HD2 TYR 51 HD1 TYR 51 1.498 -9.027 8.849 408 HE1 TYR 51 HE2 TYR 51 0.357 -4.670 6.871 409 HE2 TYR 51 HE1 TYR 51 0.306 -8.933 6.700 410 HH TYR 51 HH TYR 51 -1.049 -6.025 5.475 411 H LEU 52 H LEU 52 1.476 -8.708 12.220 412 HA LEU 52 HA LEU 52 1.697 -8.406 15.037 413 HB2 LEU 52 HB3 LEU 52 2.309 -10.960 13.591 414 HB3 LEU 52 HB2 LEU 52 1.569 -10.739 15.166 415 HG LEU 52 HG LEU 52 0.286 -10.235 12.483 416 HD11 LEU 52 HD11 LEU 52 -1.182 -12.043 13.081 417 HD12 LEU 52 HD12 LEU 52 -0.416 -12.194 14.663 418 HD13 LEU 52 HD13 LEU 52 0.488 -12.596 13.202 419 HD21 LEU 52 HD21 LEU 52 -1.764 -9.932 14.065 420 HD22 LEU 52 HD22 LEU 52 -0.681 -8.575 13.754 421 HD23 LEU 52 HD23 LEU 52 -0.538 -9.492 15.254 422 H LYS 53 H LYS 53 3.949 -9.699 12.597 423 HA LYS 53 HA LYS 53 6.105 -10.102 14.349 424 HB2 LYS 53 HB3 LYS 53 7.500 -10.139 12.305 425 HB3 LYS 53 HB2 LYS 53 6.063 -11.142 12.163 426 HG2 LYS 53 HG3 LYS 53 5.604 -8.442 11.214 427 HG3 LYS 53 HG2 LYS 53 6.931 -9.236 10.364 428 HD2 LYS 53 HD3 LYS 53 4.143 -10.338 10.721 429 HD3 LYS 53 HD2 LYS 53 4.794 -9.630 9.242 430 HE2 LYS 53 HE3 LYS 53 6.512 -11.720 10.268 431 HE3 LYS 53 HE2 LYS 53 4.873 -12.309 9.996 432 HZ1 LYS 53 HZ1 LYS 53 6.863 -11.411 8.080 433 HZ2 LYS 53 HZ2 LYS 53 5.271 -10.938 7.759 434 HZ3 LYS 53 HZ3 LYS 53 5.650 -12.578 7.916 435 H GLY 54 H GLY 54 4.910 -7.249 12.756 436 HA2 GLY 54 HA3 GLY 54 5.955 -5.339 14.318 437 HA3 GLY 54 HA2 GLY 54 7.325 -5.726 13.287 438 H ILE 55 H ILE 55 7.534 -4.087 11.905 439 HA ILE 55 HA ILE 55 5.160 -3.302 10.350 440 HB ILE 55 HB ILE 55 7.333 -1.382 11.176 441 HG12 ILE 55 HG13 ILE 55 5.343 -0.436 12.583 442 HG13 ILE 55 HG12 ILE 55 4.712 -2.075 12.463 443 HG21 ILE 55 HG21 ILE 55 4.684 -1.062 9.787 444 HG22 ILE 55 HG22 ILE 55 6.290 -0.665 9.176 445 HG23 ILE 55 HG23 ILE 55 5.581 0.291 10.478 446 HD11 ILE 55 HD11 ILE 55 6.826 -1.012 14.130 447 HD12 ILE 55 HD12 ILE 55 7.327 -2.450 13.239 448 HD13 ILE 55 HD13 ILE 55 5.905 -2.509 14.282 449 H GLU 56 H GLU 56 5.493 -2.833 8.185 450 HA GLU 56 HA GLU 56 7.995 -3.867 7.088 451 HB2 GLU 56 HB3 GLU 56 5.255 -3.383 5.959 452 HB3 GLU 56 HB2 GLU 56 6.635 -3.586 4.889 453 HG2 GLU 56 HG3 GLU 56 6.023 -5.597 7.017 454 HG3 GLU 56 HG2 GLU 56 5.205 -5.635 5.456 455 H GLU 57 H GLU 57 5.838 -1.071 6.606 456 HA GLU 57 HA GLU 57 6.243 1.071 5.965 457 HB2 GLU 57 HB3 GLU 57 7.948 0.782 7.877 458 HB3 GLU 57 HB2 GLU 57 9.152 0.653 6.601 459 HG2 GLU 57 HG3 GLU 57 8.827 2.849 5.903 460 HG3 GLU 57 HG2 GLU 57 7.271 2.977 6.722 461 H TYR 58 H TYR 58 5.945 1.239 3.833 462 HA TYR 58 HA TYR 58 8.174 0.490 2.060 463 HB2 TYR 58 HB3 TYR 58 5.216 0.627 1.442 464 HB3 TYR 58 HB2 TYR 58 6.474 0.281 0.263 465 HD1 TYR 58 HD2 TYR 58 4.647 -1.017 3.177 466 HD2 TYR 58 HD1 TYR 58 7.539 -1.876 0.177 467 HE1 TYR 58 HE2 TYR 58 4.497 -3.409 3.725 468 HE2 TYR 58 HE1 TYR 58 7.397 -4.271 0.716 469 HH TYR 58 HH TYR 58 5.742 -5.433 3.504 470 H THR 59 H THR 59 7.804 1.788 -0.160 471 HA THR 59 HA THR 59 7.159 4.579 0.390 472 HB THR 59 HB THR 59 9.859 3.684 -0.638 473 HG1 THR 59 HG1 THR 59 9.123 5.007 1.760 474 HG21 THR 59 HG21 THR 59 8.963 6.490 -0.048 475 HG22 THR 59 HG22 THR 59 9.043 5.799 -1.668 476 HG23 THR 59 HG23 THR 59 10.513 5.967 -0.708 477 H ILE 60 H ILE 60 5.920 5.279 -1.207 478 HA ILE 60 HA ILE 60 5.607 3.839 -3.643 479 HB ILE 60 HB ILE 60 4.625 6.629 -3.046 480 HG12 ILE 60 HG13 ILE 60 3.297 3.968 -2.474 481 HG13 ILE 60 HG12 ILE 60 3.938 5.077 -1.267 482 HG21 ILE 60 HG21 ILE 60 2.743 5.386 -4.583 483 HG22 ILE 60 HG22 ILE 60 4.243 4.726 -5.233 484 HG23 ILE 60 HG23 ILE 60 3.994 6.472 -5.188 485 HD11 ILE 60 HD11 ILE 60 2.080 6.289 -1.270 486 HD12 ILE 60 HD12 ILE 60 1.349 4.978 -2.195 487 HD13 ILE 60 HD13 ILE 60 2.041 6.367 -3.032 488 H LEU 61 H LEU 61 6.797 3.975 -5.419 489 HA LEU 61 HA LEU 61 8.739 6.117 -5.698 490 HB2 LEU 61 HB3 LEU 61 8.278 3.725 -7.478 491 HB3 LEU 61 HB2 LEU 61 9.669 4.793 -7.502 492 HG LEU 61 HG LEU 61 8.926 3.011 -5.182 493 HD11 LEU 61 HD11 LEU 61 11.365 2.471 -6.725 494 HD12 LEU 61 HD12 LEU 61 9.854 2.132 -7.569 495 HD13 LEU 61 HD13 LEU 61 10.193 1.357 -6.021 496 HD21 LEU 61 HD21 LEU 61 11.626 4.180 -5.580 497 HD22 LEU 61 HD22 LEU 61 10.776 3.772 -4.090 498 HD23 LEU 61 HD23 LEU 61 10.347 5.234 -4.977 499 H GLN 62 H GLN 62 5.632 5.301 -6.898 500 HA GLN 62 HA GLN 62 5.330 7.717 -8.293 501 HB2 GLN 62 HB3 GLN 62 6.865 6.191 -9.813 502 HB3 GLN 62 HB2 GLN 62 5.324 5.468 -10.256 503 HG2 GLN 62 HG3 GLN 62 4.810 8.150 -10.472 504 HG3 GLN 62 HG2 GLN 62 6.483 8.028 -11.015 505 HE21 GLN 62 HE22 GLN 62 3.318 7.856 -11.956 506 HE22 GLN 62 HE21 GLN 62 3.514 6.997 -13.443 507 H ILE 63 H ILE 63 3.226 7.936 -9.283 508 HA ILE 63 HA ILE 63 1.327 5.882 -8.352 509 HB ILE 63 HB ILE 63 0.733 8.818 -8.714 510 HG12 ILE 63 HG13 ILE 63 2.378 8.469 -6.908 511 HG13 ILE 63 HG12 ILE 63 0.824 9.006 -6.280 512 HG21 ILE 63 HG21 ILE 63 -1.387 8.382 -8.088 513 HG22 ILE 63 HG22 ILE 63 -0.907 7.113 -6.961 514 HG23 ILE 63 HG23 ILE 63 -1.011 6.766 -8.687 515 HD11 ILE 63 HD11 ILE 63 1.705 6.133 -6.336 516 HD12 ILE 63 HD12 ILE 63 0.294 6.810 -5.522 517 HD13 ILE 63 HD13 ILE 63 1.916 7.211 -4.955 518 HA PRO 64 HA PRO 64 0.898 5.938 -12.934 519 HB2 PRO 64 HB2 PRO 64 0.265 3.313 -13.157 520 HB3 PRO 64 HB3 PRO 64 1.934 3.888 -13.052 521 HG2 PRO 64 HG3 PRO 64 0.184 2.747 -10.906 522 HG3 PRO 64 HG2 PRO 64 1.891 2.413 -11.253 523 HD2 PRO 64 HD3 PRO 64 1.104 4.094 -9.279 524 HD3 PRO 64 HD2 PRO 64 2.612 4.324 -10.186 525 H ALA 65 H ALA 65 -1.192 5.372 -10.312 526 HA ALA 65 HA ALA 65 -3.448 5.499 -10.062 527 HB1 ALA 65 HB1 ALA 65 -3.202 7.515 -11.453 528 HB2 ALA 65 HB2 ALA 65 -4.740 6.698 -11.727 529 HB3 ALA 65 HB3 ALA 65 -3.431 6.530 -12.898 530 H LEU 66 H LEU 66 -2.213 3.059 -11.014 531 HA LEU 66 HA LEU 66 -4.181 1.920 -12.839 532 HB2 LEU 66 HB3 LEU 66 -1.457 1.465 -12.366 533 HB3 LEU 66 HB2 LEU 66 -2.270 0.028 -11.778 534 HG LEU 66 HG LEU 66 -3.469 0.024 -14.068 535 HD11 LEU 66 HD11 LEU 66 -1.257 1.992 -14.515 536 HD12 LEU 66 HD12 LEU 66 -2.949 2.091 -14.999 537 HD13 LEU 66 HD13 LEU 66 -1.859 0.980 -15.828 538 HD21 LEU 66 HD21 LEU 66 -1.811 -1.630 -13.345 539 HD22 LEU 66 HD22 LEU 66 -0.517 -0.568 -13.901 540 HD23 LEU 66 HD23 LEU 66 -1.656 -1.254 -15.061 541 H LYS 67 H LYS 67 -5.850 0.716 -12.206 542 HA LYS 67 HA LYS 67 -6.433 0.389 -9.438 543 HB2 LYS 67 HB3 LYS 67 -7.775 -0.554 -11.963 544 HB3 LYS 67 HB2 LYS 67 -8.379 -0.997 -10.371 545 HG2 LYS 67 HG3 LYS 67 -9.421 0.944 -10.164 546 HG3 LYS 67 HG2 LYS 67 -7.931 1.832 -10.485 547 HD2 LYS 67 HD3 LYS 67 -9.103 2.551 -12.286 548 HD3 LYS 67 HD2 LYS 67 -8.521 1.036 -12.979 549 HE2 LYS 67 HE3 LYS 67 -11.125 1.215 -11.493 550 HE3 LYS 67 HE2 LYS 67 -11.009 1.567 -13.216 551 HZ1 LYS 67 HZ1 LYS 67 -9.762 -0.768 -13.127 552 HZ2 LYS 67 HZ2 LYS 67 -11.432 -0.626 -13.365 553 HZ3 LYS 67 HZ3 LYS 67 -10.823 -0.980 -11.827 554 H ASN 68 H ASN 68 -4.849 -1.564 -11.803 555 HA ASN 68 HA ASN 68 -4.259 -3.559 -9.803 556 HB2 ASN 68 HB3 ASN 68 -6.467 -4.238 -10.887 557 HB3 ASN 68 HB2 ASN 68 -5.545 -4.500 -12.364 558 HD21 ASN 68 HD22 ASN 68 -3.977 -6.148 -12.407 559 HD22 ASN 68 HD21 ASN 68 -4.029 -7.463 -11.287 560 H VAL 69 H VAL 69 -2.121 -3.666 -9.977 561 HA VAL 69 HA VAL 69 -0.878 -3.447 -12.622 562 HB VAL 69 HB VAL 69 0.505 -3.427 -9.939 563 HG11 VAL 69 HG11 VAL 69 1.998 -3.960 -11.738 564 HG12 VAL 69 HG12 VAL 69 2.299 -2.295 -11.237 565 HG13 VAL 69 HG13 VAL 69 1.381 -2.621 -12.707 566 HG21 VAL 69 HG21 VAL 69 0.564 -0.990 -10.134 567 HG22 VAL 69 HG22 VAL 69 -1.094 -1.586 -10.050 568 HG23 VAL 69 HG23 VAL 69 -0.416 -1.082 -11.598 569 HA PRO 70 HA PRO 70 -0.143 -7.844 -12.576 570 HB2 PRO 70 HB2 PRO 70 1.561 -7.982 -14.671 571 HB3 PRO 70 HB3 PRO 70 -0.173 -7.707 -14.876 572 HG2 PRO 70 HG3 PRO 70 2.076 -5.730 -14.908 573 HG3 PRO 70 HG2 PRO 70 0.671 -5.843 -15.983 574 HD2 PRO 70 HD3 PRO 70 0.808 -4.088 -13.916 575 HD3 PRO 70 HD2 PRO 70 -0.720 -4.791 -14.482 576 H ARG 71 H ARG 71 1.993 -9.255 -12.957 577 HA ARG 71 HA ARG 71 3.848 -8.348 -10.903 578 HB2 ARG 71 HB3 ARG 71 2.718 -10.763 -11.300 579 HB3 ARG 71 HB2 ARG 71 4.222 -10.992 -12.183 580 HG2 ARG 71 HG3 ARG 71 5.068 -9.846 -9.837 581 HG3 ARG 71 HG2 ARG 71 3.733 -10.876 -9.316 582 HD2 ARG 71 HD3 ARG 71 5.264 -12.513 -9.301 583 HD3 ARG 71 HD2 ARG 71 5.055 -12.512 -11.051 584 HE ARG 71 HE ARG 71 7.030 -10.642 -10.124 585 HH11 ARG 71 HH11 ARG 71 6.448 -13.946 -11.080 586 HH12 ARG 71 HH12 ARG 71 8.098 -14.244 -11.513 587 HH21 ARG 71 HH22 ARG 71 9.201 -11.029 -10.694 588 HH22 ARG 71 HH21 ARG 71 9.661 -12.587 -11.294 589 H LYS 72 H LYS 72 4.230 -6.789 -13.020 590 HA LYS 72 HA LYS 72 6.766 -7.769 -14.139 591 HB2 LYS 72 HB3 LYS 72 4.466 -7.368 -15.630 592 HB3 LYS 72 HB2 LYS 72 5.374 -5.884 -15.879 593 HG2 LYS 72 HG3 LYS 72 6.121 -7.213 -17.603 594 HG3 LYS 72 HG2 LYS 72 7.360 -7.473 -16.372 595 HD2 LYS 72 HD3 LYS 72 6.664 -9.615 -15.932 596 HD3 LYS 72 HD2 LYS 72 5.000 -9.290 -16.423 597 HE2 LYS 72 HE3 LYS 72 6.962 -9.027 -18.582 598 HE3 LYS 72 HE2 LYS 72 6.852 -10.652 -17.904 599 HZ1 LYS 72 HZ1 LYS 72 5.297 -9.961 -19.831 600 HZ2 LYS 72 HZ2 LYS 72 4.394 -9.201 -18.619 601 HZ3 LYS 72 HZ3 LYS 72 4.670 -10.867 -18.549 602 H ASP 73 H ASP 73 4.825 -4.773 -14.032 603 HA ASP 73 HA ASP 73 7.280 -3.310 -13.340 604 HB2 ASP 73 HB3 ASP 73 4.736 -2.508 -14.721 605 HB3 ASP 73 HB2 ASP 73 5.762 -1.291 -13.966 606 H THR 74 H THR 74 5.597 -4.850 -11.461 607 HA THR 74 HA THR 74 4.330 -2.795 -9.837 608 HB THR 74 HB THR 74 3.217 -4.974 -10.130 609 HG1 THR 74 HG1 THR 74 2.449 -4.677 -8.218 610 HG21 THR 74 HG21 THR 74 4.031 -6.993 -9.454 611 HG22 THR 74 HG22 THR 74 5.160 -6.280 -8.303 612 HG23 THR 74 HG23 THR 74 5.512 -6.228 -10.030 613 H HIS 75 H HIS 75 7.381 -4.249 -10.125 614 HA HIS 75 HA HIS 75 8.068 -3.807 -7.321 615 HB2 HIS 75 HB3 HIS 75 8.996 -5.576 -9.378 616 HB3 HIS 75 HB2 HIS 75 10.350 -4.614 -8.795 617 HD1 HIS 75 HD1 HIS 75 7.539 -5.713 -6.551 618 HD2 HIS 75 HD2 HIS 75 11.507 -6.663 -7.334 619 HE1 HIS 75 HE1 HIS 75 8.230 -7.283 -4.712 620 HE2 HIS 75 HE2 HIS 75 10.607 -7.916 -5.260 621 H LEU 76 H LEU 76 7.518 -1.621 -9.307 622 HA LEU 76 HA LEU 76 9.980 -0.115 -8.800 623 HB2 LEU 76 HB3 LEU 76 8.672 -0.616 -11.422 624 HB3 LEU 76 HB2 LEU 76 9.326 0.986 -11.137 625 HG LEU 76 HG LEU 76 11.061 -1.391 -10.627 626 HD11 LEU 76 HD11 LEU 76 11.749 -1.505 -12.913 627 HD12 LEU 76 HD12 LEU 76 10.683 -0.170 -13.354 628 HD13 LEU 76 HD13 LEU 76 9.999 -1.719 -12.857 629 HD21 LEU 76 HD21 LEU 76 12.823 0.122 -11.119 630 HD22 LEU 76 HD22 LEU 76 11.703 0.972 -10.054 631 HD23 LEU 76 HD23 LEU 76 11.704 1.312 -11.784 632 H TYR 77 H TYR 77 6.977 -0.309 -7.924 633 HA TYR 77 HA TYR 77 6.449 2.583 -8.117 634 HB2 TYR 77 HB3 TYR 77 4.506 0.276 -7.969 635 HB3 TYR 77 HB2 TYR 77 4.033 1.959 -7.759 636 HD1 TYR 77 HD1 TYR 77 5.431 3.404 -9.794 637 HD2 TYR 77 HD2 TYR 77 3.733 -0.491 -10.003 638 HE1 TYR 77 HE1 TYR 77 5.198 3.644 -12.230 639 HE2 TYR 77 HE2 TYR 77 3.494 -0.263 -12.440 640 HH TYR 77 HH TYR 77 3.367 1.448 -14.126 641 H ILE 78 H ILE 78 6.946 -0.107 -6.034 642 HA ILE 78 HA ILE 78 6.858 1.632 -3.722 643 HB ILE 78 HB ILE 78 4.543 0.846 -3.832 644 HG12 ILE 78 HG13 ILE 78 6.130 -0.456 -1.607 645 HG13 ILE 78 HG12 ILE 78 5.569 1.213 -1.632 646 HG21 ILE 78 HG21 ILE 78 5.241 -1.953 -3.229 647 HG22 ILE 78 HG22 ILE 78 5.501 -1.429 -4.893 648 HG23 ILE 78 HG23 ILE 78 3.901 -1.290 -4.164 649 HD11 ILE 78 HD11 ILE 78 4.239 -0.492 -0.275 650 HD12 ILE 78 HD12 ILE 78 3.649 -1.073 -1.832 651 HD13 ILE 78 HD13 ILE 78 3.347 0.594 -1.341 652 H ALA 79 H ALA 79 8.303 1.034 -2.191 653 HA ALA 79 HA ALA 79 9.438 -1.667 -2.299 654 HB1 ALA 79 HB1 ALA 79 10.786 0.147 -3.595 655 HB2 ALA 79 HB2 ALA 79 11.628 -0.990 -2.543 656 HB3 ALA 79 HB3 ALA 79 11.297 0.649 -1.983 657 HA PRO 80 HA PRO 80 9.138 -1.328 2.101 658 HB2 PRO 80 HB2 PRO 80 10.818 -3.298 2.856 659 HB3 PRO 80 HB3 PRO 80 9.258 -3.632 2.092 660 HG2 PRO 80 HG3 PRO 80 11.995 -3.598 0.877 661 HG3 PRO 80 HG2 PRO 80 10.678 -4.761 0.636 662 HD2 PRO 80 HD3 PRO 80 11.232 -2.754 -1.120 663 HD3 PRO 80 HD2 PRO 80 9.603 -3.417 -0.886 664 H LYS 81 H LYS 81 9.993 0.536 2.878 665 HA LYS 81 HA LYS 81 12.895 0.882 2.913 666 HB2 LYS 81 HB3 LYS 81 11.098 2.680 2.240 667 HB3 LYS 81 HB2 LYS 81 10.979 2.919 3.978 668 HG2 LYS 81 HG3 LYS 81 12.636 4.383 3.703 669 HG3 LYS 81 HG2 LYS 81 13.680 2.966 3.582 670 HD2 LYS 81 HD3 LYS 81 13.479 2.987 1.166 671 HD3 LYS 81 HD2 LYS 81 12.345 4.338 1.249 672 HE2 LYS 81 HE3 LYS 81 13.997 5.843 1.905 673 HE3 LYS 81 HE2 LYS 81 15.088 4.562 2.429 674 HZ1 LYS 81 HZ1 LYS 81 15.914 4.325 0.380 675 HZ2 LYS 81 HZ2 LYS 81 15.266 5.860 0.084 676 HZ3 LYS 81 HZ3 LYS 81 14.408 4.476 -0.374 677 H THR 82 H THR 82 14.014 1.451 4.854 678 HA THR 82 HA THR 82 12.681 1.133 7.394 679 HB THR 82 HB THR 82 13.006 -1.176 7.027 680 HG1 THR 82 HG1 THR 82 14.531 -1.701 8.587 681 HG21 THR 82 HG21 THR 82 15.828 -0.597 6.161 682 HG22 THR 82 HG22 THR 82 14.500 -1.085 5.108 683 HG23 THR 82 HG23 THR 82 15.099 -2.194 6.342 684 H LYS 83 H LYS 83 14.091 1.599 9.215 685 HA LYS 83 HA LYS 83 16.648 2.845 8.535 686 HB2 LYS 83 HB3 LYS 83 14.396 4.226 10.000 687 HB3 LYS 83 HB2 LYS 83 16.049 4.822 9.955 688 HG2 LYS 83 HG3 LYS 83 15.202 4.312 7.286 689 HG3 LYS 83 HG2 LYS 83 13.963 5.270 8.101 690 HD2 LYS 83 HD3 LYS 83 15.617 6.925 8.735 691 HD3 LYS 83 HD2 LYS 83 16.904 5.945 8.030 692 HE2 LYS 83 HE3 LYS 83 16.414 6.582 5.925 693 HE3 LYS 83 HE2 LYS 83 14.676 6.577 6.219 694 HZ1 LYS 83 HZ1 LYS 83 15.401 8.669 7.678 695 HZ2 LYS 83 HZ2 LYS 83 14.961 8.790 6.050 696 HZ3 LYS 83 HZ3 LYS 83 16.594 8.744 6.483 697 H GLU 84 H GLU 84 17.756 3.600 10.649 698 HA GLU 84 HA GLU 84 17.452 1.425 12.601 699 HB2 GLU 84 HB3 GLU 84 19.839 3.239 12.252 700 HB3 GLU 84 HB2 GLU 84 19.757 1.742 13.171 701 HG2 GLU 84 HG3 GLU 84 19.031 1.353 10.395 702 HG3 GLU 84 HG2 GLU 84 20.642 2.044 10.573 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -3.632 6.518 -7.629 2 H2 MET 1 H2 MET 1 -3.314 7.294 -6.134 3 H3 MET 1 H3 MET 1 -4.929 7.145 -6.695 4 HA MET 1 HA MET 1 -4.999 4.907 -6.318 5 HB2 MET 1 HB3 MET 1 -2.489 4.869 -7.256 6 HB3 MET 1 HB2 MET 1 -2.135 4.699 -5.541 7 HG2 MET 1 HG3 MET 1 -2.576 2.542 -5.664 8 HG3 MET 1 HG2 MET 1 -4.232 2.907 -6.144 9 HE1 MET 1 HE1 MET 1 -2.199 0.119 -8.412 10 HE2 MET 1 HE2 MET 1 -2.613 0.392 -6.719 11 HE3 MET 1 HE3 MET 1 -1.068 0.961 -7.352 12 H ARG 2 H ARG 2 -5.279 3.919 -4.282 13 HA ARG 2 HA ARG 2 -4.580 5.642 -1.994 14 HB2 ARG 2 HB3 ARG 2 -6.981 3.821 -2.171 15 HB3 ARG 2 HB2 ARG 2 -6.644 5.026 -0.937 16 HG2 ARG 2 HG3 ARG 2 -7.257 6.779 -2.278 17 HG3 ARG 2 HG2 ARG 2 -6.894 5.906 -3.768 18 HD2 ARG 2 HD3 ARG 2 -8.920 4.872 -3.820 19 HD3 ARG 2 HD2 ARG 2 -9.064 4.830 -2.063 20 HE ARG 2 HE ARG 2 -9.274 7.475 -2.703 21 HH11 ARG 2 HH11 ARG 2 -10.964 4.576 -3.658 22 HH12 ARG 2 HH12 ARG 2 -12.465 5.393 -3.936 23 HH21 ARG 2 HH22 ARG 2 -11.247 8.552 -3.068 24 HH22 ARG 2 HH21 ARG 2 -12.626 7.650 -3.603 25 H ILE 3 H ILE 3 -4.087 4.615 -0.006 26 HA ILE 3 HA ILE 3 -2.351 2.486 -0.094 27 HB ILE 3 HB ILE 3 -2.545 4.018 1.810 28 HG12 ILE 3 HG13 ILE 3 -1.536 1.639 1.897 29 HG13 ILE 3 HG12 ILE 3 -1.815 2.488 3.409 30 HG21 ILE 3 HG21 ILE 3 -4.541 4.429 2.675 31 HG22 ILE 3 HG22 ILE 3 -4.478 2.841 3.437 32 HG23 ILE 3 HG23 ILE 3 -5.246 3.031 1.863 33 HD11 ILE 3 HD11 ILE 3 -4.139 0.969 2.750 34 HD12 ILE 3 HD12 ILE 3 -3.064 0.818 4.139 35 HD13 ILE 3 HD13 ILE 3 -2.714 -0.062 2.651 36 H ASP 4 H ASP 4 -5.824 2.400 0.024 37 HA ASP 4 HA ASP 4 -6.087 -0.278 0.923 38 HB2 ASP 4 HB3 ASP 4 -8.408 -0.068 -0.129 39 HB3 ASP 4 HB2 ASP 4 -8.011 1.066 1.157 40 H LYS 5 H LYS 5 -6.389 1.132 -2.346 41 HA LYS 5 HA LYS 5 -6.246 -1.530 -3.508 42 HB2 LYS 5 HB3 LYS 5 -6.988 1.179 -4.487 43 HB3 LYS 5 HB2 LYS 5 -6.392 0.018 -5.667 44 HG2 LYS 5 HG3 LYS 5 -8.166 -1.469 -5.254 45 HG3 LYS 5 HG2 LYS 5 -8.633 -0.625 -3.777 46 HD2 LYS 5 HD3 LYS 5 -8.979 1.398 -5.404 47 HD3 LYS 5 HD2 LYS 5 -9.096 0.132 -6.628 48 HE2 LYS 5 HE3 LYS 5 -11.268 0.097 -6.062 49 HE3 LYS 5 HE2 LYS 5 -10.714 -0.860 -4.689 50 HZ1 LYS 5 HZ1 LYS 5 -11.019 2.093 -4.651 51 HZ2 LYS 5 HZ2 LYS 5 -10.658 1.093 -3.334 52 HZ3 LYS 5 HZ3 LYS 5 -12.179 1.009 -4.068 53 H PHE 6 H PHE 6 -4.001 0.721 -2.538 54 HA PHE 6 HA PHE 6 -2.212 0.584 -4.768 55 HB2 PHE 6 HB3 PHE 6 -2.268 2.499 -3.201 56 HB3 PHE 6 HB2 PHE 6 -1.647 1.453 -1.929 57 HD1 PHE 6 HD1 PHE 6 -0.705 1.878 -5.512 58 HD2 PHE 6 HD2 PHE 6 0.507 2.080 -1.437 59 HE1 PHE 6 HE1 PHE 6 1.595 2.386 -6.225 60 HE2 PHE 6 HE2 PHE 6 2.809 2.588 -2.144 61 HZ PHE 6 HZ PHE 6 3.355 2.742 -4.540 62 H LEU 7 H LEU 7 -1.659 -0.504 -1.410 63 HA LEU 7 HA LEU 7 0.382 -2.322 -2.285 64 HB2 LEU 7 HB3 LEU 7 0.614 -2.879 0.079 65 HB3 LEU 7 HB2 LEU 7 0.628 -1.147 -0.189 66 HG LEU 7 HG LEU 7 -1.889 -1.256 0.421 67 HD11 LEU 7 HD11 LEU 7 -2.384 -3.524 0.475 68 HD12 LEU 7 HD12 LEU 7 -2.189 -3.118 2.178 69 HD13 LEU 7 HD13 LEU 7 -0.888 -3.933 1.312 70 HD21 LEU 7 HD21 LEU 7 -1.197 -1.333 2.911 71 HD22 LEU 7 HD22 LEU 7 -0.524 -0.075 1.875 72 HD23 LEU 7 HD23 LEU 7 0.443 -1.494 2.281 73 H GLN 8 H GLN 8 -2.975 -2.550 -2.002 74 HA GLN 8 HA GLN 8 -2.974 -5.402 -1.444 75 HB2 GLN 8 HB3 GLN 8 -5.251 -3.517 -2.052 76 HB3 GLN 8 HB2 GLN 8 -5.423 -5.191 -1.540 77 HG2 GLN 8 HG3 GLN 8 -4.161 -4.550 0.548 78 HG3 GLN 8 HG2 GLN 8 -4.353 -2.872 0.042 79 HE21 GLN 8 HE22 GLN 8 -5.414 -4.472 2.346 80 HE22 GLN 8 HE21 GLN 8 -7.119 -4.194 2.320 81 H SER 9 H SER 9 -2.970 -3.295 -4.157 82 HA SER 9 HA SER 9 -4.045 -5.322 -5.957 83 HB2 SER 9 HB3 SER 9 -3.128 -2.478 -6.426 84 HB3 SER 9 HB2 SER 9 -3.714 -3.545 -7.700 85 HG SER 9 HG SER 9 -5.217 -2.943 -5.377 86 H VAL 10 H VAL 10 -1.016 -3.676 -5.226 87 HA VAL 10 HA VAL 10 0.564 -4.513 -7.331 88 HB VAL 10 HB VAL 10 2.488 -4.395 -5.737 89 HG11 VAL 10 HG11 VAL 10 0.475 -2.173 -5.892 90 HG12 VAL 10 HG12 VAL 10 1.957 -2.388 -6.824 91 HG13 VAL 10 HG13 VAL 10 2.044 -1.957 -5.116 92 HG21 VAL 10 HG21 VAL 10 0.242 -4.313 -3.796 93 HG22 VAL 10 HG22 VAL 10 1.655 -3.311 -3.465 94 HG23 VAL 10 HG23 VAL 10 1.836 -5.054 -3.653 95 H GLY 11 H GLY 11 -0.619 -6.352 -4.617 96 HA2 GLY 11 HA3 GLY 11 -0.807 -8.768 -4.968 97 HA3 GLY 11 HA2 GLY 11 0.794 -8.714 -5.691 98 H LEU 12 H LEU 12 -0.373 -7.206 -2.699 99 HA LEU 12 HA LEU 12 1.624 -8.800 -1.232 100 HB2 LEU 12 HB3 LEU 12 1.045 -5.940 -1.281 101 HB3 LEU 12 HB2 LEU 12 1.057 -6.596 0.343 102 HG LEU 12 HG LEU 12 3.339 -7.285 -1.436 103 HD11 LEU 12 HD11 LEU 12 2.609 -4.673 -1.346 104 HD12 LEU 12 HD12 LEU 12 4.266 -5.245 -1.539 105 HD13 LEU 12 HD13 LEU 12 3.674 -4.782 0.056 106 HD21 LEU 12 HD21 LEU 12 3.334 -6.446 1.448 107 HD22 LEU 12 HD22 LEU 12 4.541 -7.396 0.578 108 HD23 LEU 12 HD23 LEU 12 2.965 -8.096 0.948 109 H VAL 13 H VAL 13 -1.541 -7.226 -1.043 110 HA VAL 13 HA VAL 13 -2.255 -9.068 1.146 111 HB VAL 13 HB VAL 13 -3.588 -6.435 0.512 112 HG11 VAL 13 HG11 VAL 13 -4.732 -8.409 1.799 113 HG12 VAL 13 HG12 VAL 13 -4.892 -6.749 2.374 114 HG13 VAL 13 HG13 VAL 13 -3.734 -7.839 3.136 115 HG21 VAL 13 HG21 VAL 13 -1.391 -7.098 2.457 116 HG22 VAL 13 HG22 VAL 13 -2.424 -5.680 2.632 117 HG23 VAL 13 HG23 VAL 13 -1.405 -5.856 1.204 118 H LYS 14 H LYS 14 -2.822 -10.709 -0.386 119 HA LYS 14 HA LYS 14 -5.141 -10.138 -2.082 120 HB2 LYS 14 HB3 LYS 14 -3.095 -12.329 -2.015 121 HB3 LYS 14 HB2 LYS 14 -4.639 -12.596 -2.812 122 HG2 LYS 14 HG3 LYS 14 -3.595 -10.099 -3.689 123 HG3 LYS 14 HG2 LYS 14 -2.330 -11.321 -3.826 124 HD2 LYS 14 HD3 LYS 14 -4.954 -12.232 -4.745 125 HD3 LYS 14 HD2 LYS 14 -4.312 -10.869 -5.664 126 HE2 LYS 14 HE3 LYS 14 -2.111 -12.375 -5.556 127 HE3 LYS 14 HE2 LYS 14 -3.320 -13.651 -5.437 128 HZ1 LYS 14 HZ1 LYS 14 -2.441 -12.669 -7.744 129 HZ2 LYS 14 HZ2 LYS 14 -3.778 -11.662 -7.502 130 HZ3 LYS 14 HZ3 LYS 14 -3.981 -13.341 -7.551 131 H ARG 15 H ARG 15 -5.469 -10.233 0.759 132 HA ARG 15 HA ARG 15 -7.135 -12.649 1.024 133 HB2 ARG 15 HB3 ARG 15 -5.276 -11.322 2.902 134 HB3 ARG 15 HB2 ARG 15 -6.799 -11.864 3.593 135 HG2 ARG 15 HG3 ARG 15 -5.449 -13.691 3.925 136 HG3 ARG 15 HG2 ARG 15 -6.241 -14.104 2.403 137 HD2 ARG 15 HD3 ARG 15 -3.807 -12.556 2.021 138 HD3 ARG 15 HD2 ARG 15 -3.521 -14.072 2.875 139 HE ARG 15 HE ARG 15 -5.133 -14.671 0.705 140 HH11 ARG 15 HH11 ARG 15 -1.932 -13.393 1.256 141 HH12 ARG 15 HH12 ARG 15 -1.289 -14.022 -0.223 142 HH21 ARG 15 HH22 ARG 15 -4.289 -15.501 -1.242 143 HH22 ARG 15 HH21 ARG 15 -2.627 -15.218 -1.642 144 H ARG 16 H ARG 16 -9.228 -12.215 0.918 145 HA ARG 16 HA ARG 16 -11.245 -11.193 1.149 146 HB2 ARG 16 HB3 ARG 16 -9.820 -9.670 3.335 147 HB3 ARG 16 HB2 ARG 16 -11.557 -9.659 3.071 148 HG2 ARG 16 HG3 ARG 16 -11.813 -11.531 4.225 149 HG3 ARG 16 HG2 ARG 16 -10.589 -12.360 3.262 150 HD2 ARG 16 HD3 ARG 16 -10.081 -12.267 5.699 151 HD3 ARG 16 HD2 ARG 16 -8.836 -11.555 4.677 152 HE ARG 16 HE ARG 16 -10.692 -10.113 6.428 153 HH11 ARG 16 HH11 ARG 16 -7.953 -10.048 4.253 154 HH12 ARG 16 HH12 ARG 16 -7.462 -8.459 4.729 155 HH21 ARG 16 HH22 ARG 16 -10.040 -8.026 7.045 156 HH22 ARG 16 HH21 ARG 16 -8.643 -7.312 6.310 157 H VAL 17 H VAL 17 -12.096 -9.816 -0.256 158 HA VAL 17 HA VAL 17 -10.543 -7.440 -1.013 159 HB VAL 17 HB VAL 17 -12.033 -7.395 -3.028 160 HG11 VAL 17 HG11 VAL 17 -10.601 -8.718 -4.179 161 HG12 VAL 17 HG12 VAL 17 -10.792 -10.077 -3.072 162 HG13 VAL 17 HG13 VAL 17 -9.745 -8.726 -2.637 163 HG21 VAL 17 HG21 VAL 17 -12.820 -10.198 -2.317 164 HG22 VAL 17 HG22 VAL 17 -13.514 -9.121 -3.530 165 HG23 VAL 17 HG23 VAL 17 -13.802 -8.822 -1.816 166 H LEU 18 H LEU 18 -13.631 -8.497 0.227 167 HA LEU 18 HA LEU 18 -14.906 -5.938 -0.045 168 HB2 LEU 18 HB3 LEU 18 -16.174 -8.049 -0.051 169 HB3 LEU 18 HB2 LEU 18 -15.690 -8.337 1.610 170 HG LEU 18 HG LEU 18 -17.071 -5.773 1.097 171 HD11 LEU 18 HD11 LEU 18 -18.210 -7.659 -0.280 172 HD12 LEU 18 HD12 LEU 18 -19.190 -6.607 0.740 173 HD13 LEU 18 HD13 LEU 18 -18.764 -8.226 1.297 174 HD21 LEU 18 HD21 LEU 18 -17.782 -6.014 3.265 175 HD22 LEU 18 HD22 LEU 18 -16.263 -6.908 3.320 176 HD23 LEU 18 HD23 LEU 18 -17.792 -7.776 3.182 177 H ALA 19 H ALA 19 -14.872 -4.273 1.322 178 HA ALA 19 HA ALA 19 -14.374 -2.966 3.115 179 HB1 ALA 19 HB1 ALA 19 -15.201 -5.538 4.314 180 HB2 ALA 19 HB2 ALA 19 -15.839 -3.912 4.559 181 HB3 ALA 19 HB3 ALA 19 -14.353 -4.409 5.370 182 H THR 20 H THR 20 -12.711 -2.451 4.697 183 HA THR 20 HA THR 20 -10.281 -4.087 4.422 184 HB THR 20 HB THR 20 -10.306 -1.065 4.407 185 HG1 THR 20 HG1 THR 20 -11.244 -1.827 2.499 186 HG21 THR 20 HG21 THR 20 -8.028 -1.597 3.261 187 HG22 THR 20 HG22 THR 20 -8.174 -3.121 4.138 188 HG23 THR 20 HG23 THR 20 -8.167 -1.593 5.019 189 H ASP 21 H ASP 21 -9.997 -4.898 6.403 190 HA ASP 21 HA ASP 21 -10.767 -3.486 8.778 191 HB2 ASP 21 HB3 ASP 21 -9.326 -6.092 8.299 192 HB3 ASP 21 HB2 ASP 21 -9.610 -5.455 9.915 193 H MET 22 H MET 22 -7.935 -3.622 6.851 194 HA MET 22 HA MET 22 -5.919 -3.207 8.725 195 HB2 MET 22 HB3 MET 22 -6.238 -2.380 5.854 196 HB3 MET 22 HB2 MET 22 -4.809 -1.926 6.772 197 HG2 MET 22 HG3 MET 22 -4.398 -4.317 7.239 198 HG3 MET 22 HG2 MET 22 -5.769 -4.720 6.208 199 HE1 MET 22 HE1 MET 22 -2.763 -5.995 5.451 200 HE2 MET 22 HE2 MET 22 -2.308 -4.694 6.552 201 HE3 MET 22 HE3 MET 22 -1.648 -4.737 4.917 202 H CYS 23 H CYS 23 -7.920 -0.811 7.016 203 HA CYS 23 HA CYS 23 -6.733 1.469 8.145 204 HB2 CYS 23 HB3 CYS 23 -8.687 2.678 7.372 205 HB3 CYS 23 HB2 CYS 23 -8.205 1.504 6.153 206 HG CYS 23 HG CYS 23 -10.243 0.018 7.330 207 H ASN 24 H ASN 24 -9.064 -0.775 9.401 208 HA ASN 24 HA ASN 24 -9.856 0.994 11.564 209 HB2 ASN 24 HB3 ASN 24 -10.993 -1.271 10.292 210 HB3 ASN 24 HB2 ASN 24 -10.724 -1.709 11.976 211 HD21 ASN 24 HD22 ASN 24 -11.169 0.571 13.315 212 HD22 ASN 24 HD21 ASN 24 -12.796 1.105 13.094 213 H VAL 25 H VAL 25 -8.280 -2.193 11.285 214 HA VAL 25 HA VAL 25 -7.621 -2.524 13.966 215 HB VAL 25 HB VAL 25 -5.889 -4.090 13.221 216 HG11 VAL 25 HG11 VAL 25 -7.747 -5.344 13.141 217 HG12 VAL 25 HG12 VAL 25 -7.565 -5.219 11.392 218 HG13 VAL 25 HG13 VAL 25 -8.651 -4.123 12.247 219 HG21 VAL 25 HG21 VAL 25 -6.305 -2.697 10.612 220 HG22 VAL 25 HG22 VAL 25 -5.813 -4.390 10.628 221 HG23 VAL 25 HG23 VAL 25 -4.803 -3.171 11.406 222 H GLY 26 H GLY 26 -6.024 -0.669 11.456 223 HA2 GLY 26 HA3 GLY 26 -4.772 1.296 12.241 224 HA3 GLY 26 HA2 GLY 26 -4.090 0.263 13.488 225 H ALA 27 H ALA 27 -4.472 -1.019 10.294 226 HA ALA 27 HA ALA 27 -1.557 -1.073 10.011 227 HB1 ALA 27 HB1 ALA 27 -2.479 -2.630 7.987 228 HB2 ALA 27 HB2 ALA 27 -3.757 -2.832 9.186 229 HB3 ALA 27 HB3 ALA 27 -2.088 -3.218 9.604 230 H VAL 28 H VAL 28 -3.156 1.325 9.465 231 HA VAL 28 HA VAL 28 -2.289 1.742 6.694 232 HB VAL 28 HB VAL 28 -4.953 2.670 7.781 233 HG11 VAL 28 HG11 VAL 28 -3.540 3.130 5.171 234 HG12 VAL 28 HG12 VAL 28 -4.233 4.318 6.275 235 HG13 VAL 28 HG13 VAL 28 -5.292 3.275 5.324 236 HG21 VAL 28 HG21 VAL 28 -5.961 1.125 6.218 237 HG22 VAL 28 HG22 VAL 28 -4.870 0.250 7.292 238 HG23 VAL 28 HG23 VAL 28 -4.371 0.624 5.642 239 H TRP 29 H TRP 29 -0.700 3.184 6.933 240 HA TRP 29 HA TRP 29 -1.307 5.681 8.333 241 HB2 TRP 29 HB3 TRP 29 1.009 3.853 8.886 242 HB3 TRP 29 HB2 TRP 29 1.171 5.587 9.137 243 HD1 TRP 29 HD1 TRP 29 -1.376 2.847 10.211 244 HE1 TRP 29 HE1 TRP 29 -2.028 3.299 12.659 245 HE3 TRP 29 HE3 TRP 29 1.383 7.074 11.018 246 HZ2 TRP 29 HZ2 TRP 29 -1.449 5.198 14.666 247 HZ3 TRP 29 HZ3 TRP 29 1.278 8.147 13.230 248 HH2 TRP 29 HH2 TRP 29 -0.111 7.226 15.016 249 H LEU 30 H LEU 30 -1.197 7.151 6.776 250 HA LEU 30 HA LEU 30 0.794 6.862 4.650 251 HB2 LEU 30 HB3 LEU 30 -1.780 7.411 4.391 252 HB3 LEU 30 HB2 LEU 30 -1.231 9.050 4.679 253 HG LEU 30 HG LEU 30 0.074 7.389 2.553 254 HD11 LEU 30 HD11 LEU 30 -2.463 8.985 2.232 255 HD12 LEU 30 HD12 LEU 30 -2.320 7.231 2.122 256 HD13 LEU 30 HD13 LEU 30 -1.525 8.257 0.928 257 HD21 LEU 30 HD21 LEU 30 0.646 9.842 3.527 258 HD22 LEU 30 HD22 LEU 30 -0.466 10.264 2.225 259 HD23 LEU 30 HD23 LEU 30 0.989 9.331 1.874 260 H ASN 31 H ASN 31 2.629 7.969 4.719 261 HA ASN 31 HA ASN 31 4.219 9.495 5.282 262 HB2 ASN 31 HB3 ASN 31 2.352 10.936 4.155 263 HB3 ASN 31 HB2 ASN 31 2.075 11.532 5.789 264 HD21 ASN 31 HD22 ASN 31 2.933 13.090 3.601 265 HD22 ASN 31 HD21 ASN 31 4.512 13.691 3.963 266 H GLY 32 H GLY 32 3.187 7.846 7.374 267 HA2 GLY 32 HA3 GLY 32 3.550 7.632 9.639 268 HA3 GLY 32 HA2 GLY 32 4.265 9.237 9.619 269 H SER 33 H SER 33 0.982 8.264 8.705 270 HA SER 33 HA SER 33 -0.151 9.338 11.129 271 HB2 SER 33 HB3 SER 33 -1.628 10.822 9.360 272 HB3 SER 33 HB2 SER 33 -0.298 11.450 10.332 273 HG SER 33 HG SER 33 -0.088 11.923 8.082 274 H CYS 34 H CYS 34 -2.170 8.553 11.528 275 HA CYS 34 HA CYS 34 -3.044 6.253 10.253 276 HB2 CYS 34 HB3 CYS 34 -3.741 7.514 12.532 277 HB3 CYS 34 HB2 CYS 34 -5.134 7.918 11.535 278 HG CYS 34 HG CYS 34 -5.900 5.557 11.595 279 H ALA 35 H ALA 35 -4.267 5.814 8.522 280 HA ALA 35 HA ALA 35 -5.794 7.987 7.271 281 HB1 ALA 35 HB1 ALA 35 -3.411 7.360 6.255 282 HB2 ALA 35 HB2 ALA 35 -4.775 7.839 5.247 283 HB3 ALA 35 HB3 ALA 35 -4.382 6.132 5.444 284 H LYS 36 H LYS 36 -7.603 7.340 6.081 285 HA LYS 36 HA LYS 36 -8.758 4.853 6.933 286 HB2 LYS 36 HB3 LYS 36 -9.814 7.266 6.308 287 HB3 LYS 36 HB2 LYS 36 -10.100 6.403 4.803 288 HG2 LYS 36 HG3 LYS 36 -11.882 5.448 5.695 289 HG3 LYS 36 HG2 LYS 36 -10.862 4.686 6.915 290 HD2 LYS 36 HD3 LYS 36 -11.070 7.236 7.870 291 HD3 LYS 36 HD2 LYS 36 -12.653 6.996 7.127 292 HE2 LYS 36 HE3 LYS 36 -11.353 5.406 9.319 293 HE3 LYS 36 HE2 LYS 36 -12.884 6.277 9.358 294 HZ1 LYS 36 HZ1 LYS 36 -13.387 4.567 7.410 295 HZ2 LYS 36 HZ2 LYS 36 -13.682 4.205 9.037 296 HZ3 LYS 36 HZ3 LYS 36 -12.276 3.640 8.285 297 H ALA 37 H ALA 37 -10.260 4.019 4.801 298 HA ALA 37 HA ALA 37 -8.204 2.812 3.104 299 HB1 ALA 37 HB1 ALA 37 -10.806 1.959 4.148 300 HB2 ALA 37 HB2 ALA 37 -9.380 1.008 3.732 301 HB3 ALA 37 HB3 ALA 37 -10.506 1.508 2.471 302 H SER 38 H SER 38 -9.219 5.563 2.712 303 HA SER 38 HA SER 38 -9.847 5.295 -0.117 304 HB2 SER 38 HB3 SER 38 -11.699 6.456 1.916 305 HB3 SER 38 HB2 SER 38 -11.602 7.235 0.337 306 HG SER 38 HG SER 38 -13.186 5.434 0.676 307 H LYS 39 H LYS 39 -7.578 6.210 1.530 308 HA LYS 39 HA LYS 39 -7.511 9.061 0.842 309 HB2 LYS 39 HB3 LYS 39 -6.975 8.351 3.191 310 HB3 LYS 39 HB2 LYS 39 -5.559 7.523 2.558 311 HG2 LYS 39 HG3 LYS 39 -4.537 9.545 1.915 312 HG3 LYS 39 HG2 LYS 39 -6.034 10.455 2.122 313 HD2 LYS 39 HD3 LYS 39 -5.839 9.613 4.598 314 HD3 LYS 39 HD2 LYS 39 -4.135 9.420 4.179 315 HE2 LYS 39 HE3 LYS 39 -4.577 11.890 3.209 316 HE3 LYS 39 HE2 LYS 39 -5.744 11.872 4.531 317 HZ1 LYS 39 HZ1 LYS 39 -2.880 11.169 4.859 318 HZ2 LYS 39 HZ2 LYS 39 -4.023 11.417 6.084 319 HZ3 LYS 39 HZ3 LYS 39 -3.502 12.718 5.136 320 H GLU 40 H GLU 40 -6.562 9.593 -1.005 321 HA GLU 40 HA GLU 40 -5.036 7.770 -2.547 322 HB2 GLU 40 HB3 GLU 40 -5.886 10.597 -2.789 323 HB3 GLU 40 HB2 GLU 40 -4.461 10.134 -3.710 324 HG2 GLU 40 HG3 GLU 40 -5.642 8.917 -5.171 325 HG3 GLU 40 HG2 GLU 40 -6.721 8.280 -3.930 326 H VAL 41 H VAL 41 -2.863 7.599 -2.893 327 HA VAL 41 HA VAL 41 -1.152 8.908 -0.910 328 HB VAL 41 HB VAL 41 0.559 7.222 -1.672 329 HG11 VAL 41 HG11 VAL 41 -0.817 5.251 -0.657 330 HG12 VAL 41 HG12 VAL 41 -2.028 6.501 -0.369 331 HG13 VAL 41 HG13 VAL 41 -0.418 6.653 0.336 332 HG21 VAL 41 HG21 VAL 41 -1.554 5.531 -2.836 333 HG22 VAL 41 HG22 VAL 41 0.148 5.684 -3.271 334 HG23 VAL 41 HG23 VAL 41 -1.017 6.883 -3.833 335 H LYS 42 H LYS 42 1.206 9.202 -1.796 336 HA LYS 42 HA LYS 42 1.121 10.416 -4.469 337 HB2 LYS 42 HB3 LYS 42 2.010 11.702 -1.899 338 HB3 LYS 42 HB2 LYS 42 2.631 12.245 -3.451 339 HG2 LYS 42 HG3 LYS 42 0.122 12.428 -4.096 340 HG3 LYS 42 HG2 LYS 42 -0.136 12.431 -2.350 341 HD2 LYS 42 HD3 LYS 42 1.958 14.245 -3.393 342 HD3 LYS 42 HD2 LYS 42 0.285 14.663 -3.769 343 HE2 LYS 42 HE3 LYS 42 0.864 13.891 -0.975 344 HE3 LYS 42 HE2 LYS 42 1.529 15.430 -1.519 345 HZ1 LYS 42 HZ1 LYS 42 -0.736 16.040 -2.251 346 HZ2 LYS 42 HZ2 LYS 42 -0.623 15.798 -0.581 347 HZ3 LYS 42 HZ3 LYS 42 -1.325 14.613 -1.561 348 H ALA 43 H ALA 43 3.293 10.820 -5.370 349 HA ALA 43 HA ALA 43 4.934 8.526 -5.113 350 HB1 ALA 43 HB1 ALA 43 5.678 11.118 -6.455 351 HB2 ALA 43 HB2 ALA 43 4.642 9.895 -7.191 352 HB3 ALA 43 HB3 ALA 43 6.316 9.508 -6.790 353 H GLY 44 H GLY 44 7.112 8.378 -4.409 354 HA2 GLY 44 HA3 GLY 44 8.813 8.697 -2.902 355 HA3 GLY 44 HA2 GLY 44 8.582 10.416 -3.189 356 H ASP 45 H ASP 45 6.268 8.140 -1.792 357 HA ASP 45 HA ASP 45 6.391 9.690 0.712 358 HB2 ASP 45 HB3 ASP 45 4.239 9.552 -0.907 359 HB3 ASP 45 HB2 ASP 45 3.940 8.140 0.101 360 H THR 46 H THR 46 5.395 8.357 2.592 361 HA THR 46 HA THR 46 6.728 5.741 2.573 362 HB THR 46 HB THR 46 5.902 7.479 4.907 363 HG1 THR 46 HG1 THR 46 7.687 8.264 3.669 364 HG21 THR 46 HG21 THR 46 6.208 5.722 6.205 365 HG22 THR 46 HG22 THR 46 7.891 5.677 5.678 366 HG23 THR 46 HG23 THR 46 6.674 4.726 4.826 367 H ILE 47 H ILE 47 5.689 3.897 3.309 368 HA ILE 47 HA ILE 47 2.799 4.127 3.812 369 HB ILE 47 HB ILE 47 4.126 2.081 2.024 370 HG12 ILE 47 HG13 ILE 47 3.845 4.328 1.013 371 HG13 ILE 47 HG12 ILE 47 2.848 3.108 0.227 372 HG21 ILE 47 HG21 ILE 47 1.487 1.737 1.620 373 HG22 ILE 47 HG22 ILE 47 1.481 2.185 3.325 374 HG23 ILE 47 HG23 ILE 47 2.427 0.799 2.780 375 HD11 ILE 47 HD11 ILE 47 0.926 3.897 1.590 376 HD12 ILE 47 HD12 ILE 47 1.563 5.099 0.469 377 HD13 ILE 47 HD13 ILE 47 1.951 5.203 2.186 378 H SER 48 H SER 48 2.809 3.672 5.958 379 HA SER 48 HA SER 48 4.418 1.514 7.019 380 HB2 SER 48 HB3 SER 48 2.848 3.748 8.117 381 HB3 SER 48 HB2 SER 48 2.778 2.272 9.078 382 HG SER 48 HG SER 48 4.936 2.349 9.382 383 H LEU 49 H LEU 49 3.565 -0.302 8.149 384 HA LEU 49 HA LEU 49 0.760 -0.961 7.691 385 HB2 LEU 49 HB3 LEU 49 3.067 -2.256 6.373 386 HB3 LEU 49 HB2 LEU 49 1.859 -3.341 7.034 387 HG LEU 49 HG LEU 49 0.183 -1.811 5.712 388 HD11 LEU 49 HD11 LEU 49 2.188 -1.552 3.627 389 HD12 LEU 49 HD12 LEU 49 2.547 -0.555 5.036 390 HD13 LEU 49 HD13 LEU 49 1.000 -0.385 4.208 391 HD21 LEU 49 HD21 LEU 49 1.940 -4.006 4.690 392 HD22 LEU 49 HD22 LEU 49 0.736 -3.263 3.638 393 HD23 LEU 49 HD23 LEU 49 0.233 -4.052 5.133 394 H HIS 50 H HIS 50 -0.111 -2.218 9.269 395 HA HIS 50 HA HIS 50 1.624 -2.834 11.535 396 HB2 HIS 50 HB3 HIS 50 -0.571 -1.546 11.757 397 HB3 HIS 50 HB2 HIS 50 -1.381 -3.079 11.455 398 HD1 HIS 50 HD1 HIS 50 0.631 -1.262 14.031 399 HD2 HIS 50 HD2 HIS 50 -1.314 -4.905 13.572 400 HE1 HIS 50 HE1 HIS 50 0.559 -2.280 16.330 401 HE2 HIS 50 HE2 HIS 50 -0.690 -4.449 16.040 402 H TYR 51 H TYR 51 2.268 -4.826 12.005 403 HA TYR 51 HA TYR 51 0.703 -7.105 11.023 404 HB2 TYR 51 HB3 TYR 51 3.573 -6.492 10.460 405 HB3 TYR 51 HB2 TYR 51 3.094 -8.173 10.662 406 HD1 TYR 51 HD2 TYR 51 2.015 -5.110 8.809 407 HD2 TYR 51 HD1 TYR 51 2.443 -9.343 8.780 408 HE1 TYR 51 HE2 TYR 51 1.254 -5.164 6.472 409 HE2 TYR 51 HE1 TYR 51 1.685 -9.410 6.442 410 HH TYR 51 HH TYR 51 1.396 -6.596 4.523 411 H LEU 52 H LEU 52 1.858 -9.212 11.972 412 HA LEU 52 HA LEU 52 1.625 -8.954 14.814 413 HB2 LEU 52 HB3 LEU 52 1.999 -11.369 14.857 414 HB3 LEU 52 HB2 LEU 52 0.776 -10.926 13.682 415 HG LEU 52 HG LEU 52 2.935 -10.968 12.073 416 HD11 LEU 52 HD11 LEU 52 3.999 -13.264 12.869 417 HD12 LEU 52 HD12 LEU 52 3.603 -12.602 14.455 418 HD13 LEU 52 HD13 LEU 52 4.656 -11.703 13.363 419 HD21 LEU 52 HD21 LEU 52 0.920 -12.143 11.574 420 HD22 LEU 52 HD22 LEU 52 1.177 -13.267 12.908 421 HD23 LEU 52 HD23 LEU 52 2.245 -13.306 11.504 422 H LYS 53 H LYS 53 4.265 -9.457 12.539 423 HA LYS 53 HA LYS 53 6.238 -9.862 14.585 424 HB2 LYS 53 HB3 LYS 53 7.856 -9.767 12.740 425 HB3 LYS 53 HB2 LYS 53 6.527 -10.860 12.378 426 HG2 LYS 53 HG3 LYS 53 6.567 -9.783 10.404 427 HG3 LYS 53 HG2 LYS 53 5.565 -8.619 11.272 428 HD2 LYS 53 HD3 LYS 53 7.175 -7.262 10.310 429 HD3 LYS 53 HD2 LYS 53 7.835 -7.539 11.923 430 HE2 LYS 53 HE3 LYS 53 8.933 -9.617 10.649 431 HE3 LYS 53 HE2 LYS 53 8.772 -8.509 9.287 432 HZ1 LYS 53 HZ1 LYS 53 9.897 -7.402 11.732 433 HZ2 LYS 53 HZ2 LYS 53 10.321 -7.118 10.118 434 HZ3 LYS 53 HZ3 LYS 53 10.864 -8.515 10.903 435 H GLY 54 H GLY 54 4.967 -7.145 12.801 436 HA2 GLY 54 HA3 GLY 54 5.568 -5.138 14.478 437 HA3 GLY 54 HA2 GLY 54 7.099 -5.367 13.646 438 H ILE 55 H ILE 55 7.265 -3.618 12.375 439 HA ILE 55 HA ILE 55 5.047 -3.097 10.503 440 HB ILE 55 HB ILE 55 6.963 -1.014 11.551 441 HG12 ILE 55 HG13 ILE 55 5.532 -1.810 13.369 442 HG13 ILE 55 HG12 ILE 55 5.067 -0.181 12.888 443 HG21 ILE 55 HG21 ILE 55 4.877 -1.067 9.499 444 HG22 ILE 55 HG22 ILE 55 6.236 0.037 9.711 445 HG23 ILE 55 HG23 ILE 55 4.750 0.282 10.629 446 HD11 ILE 55 HD11 ILE 55 3.173 -1.739 13.339 447 HD12 ILE 55 HD12 ILE 55 3.673 -2.660 11.921 448 HD13 ILE 55 HD13 ILE 55 3.149 -0.986 11.744 449 H GLU 56 H GLU 56 5.543 -2.917 8.377 450 HA GLU 56 HA GLU 56 8.241 -3.639 7.586 451 HB2 GLU 56 HB3 GLU 56 5.573 -3.582 6.261 452 HB3 GLU 56 HB2 GLU 56 6.997 -3.453 5.239 453 HG2 GLU 56 HG3 GLU 56 6.846 -5.628 7.269 454 HG3 GLU 56 HG2 GLU 56 5.945 -5.777 5.761 455 H GLU 57 H GLU 57 5.913 -1.041 6.877 456 HA GLU 57 HA GLU 57 6.192 1.110 6.199 457 HB2 GLU 57 HB3 GLU 57 7.958 0.819 8.180 458 HB3 GLU 57 HB2 GLU 57 9.091 1.112 6.867 459 HG2 GLU 57 HG3 GLU 57 7.807 3.189 6.337 460 HG3 GLU 57 HG2 GLU 57 6.881 2.916 7.812 461 H TYR 58 H TYR 58 5.944 0.957 4.021 462 HA TYR 58 HA TYR 58 8.285 0.300 2.386 463 HB2 TYR 58 HB3 TYR 58 5.389 0.624 1.568 464 HB3 TYR 58 HB2 TYR 58 6.703 0.102 0.521 465 HD1 TYR 58 HD1 TYR 58 5.147 -0.847 3.790 466 HD2 TYR 58 HD2 TYR 58 6.949 -2.161 0.166 467 HE1 TYR 58 HE1 TYR 58 4.733 -3.182 4.438 468 HE2 TYR 58 HE2 TYR 58 6.539 -4.500 0.804 469 HH TYR 58 HH TYR 58 5.925 -5.515 3.778 470 H THR 59 H THR 59 8.093 1.594 0.150 471 HA THR 59 HA THR 59 7.663 4.439 0.724 472 HB THR 59 HB THR 59 10.184 3.256 -0.458 473 HG1 THR 59 HG1 THR 59 9.834 4.820 1.877 474 HG21 THR 59 HG21 THR 59 9.491 5.418 -1.518 475 HG22 THR 59 HG22 THR 59 11.058 5.437 -0.707 476 HG23 THR 59 HG23 THR 59 9.652 6.163 0.073 477 H ILE 60 H ILE 60 6.613 5.455 -0.864 478 HA ILE 60 HA ILE 60 5.976 3.998 -3.282 479 HB ILE 60 HB ILE 60 5.140 6.826 -2.681 480 HG12 ILE 60 HG13 ILE 60 3.779 4.285 -1.756 481 HG13 ILE 60 HG12 ILE 60 4.624 5.425 -0.714 482 HG21 ILE 60 HG21 ILE 60 3.097 5.994 -3.954 483 HG22 ILE 60 HG22 ILE 60 4.087 4.606 -4.404 484 HG23 ILE 60 HG23 ILE 60 4.581 6.232 -4.877 485 HD11 ILE 60 HD11 ILE 60 2.779 6.616 -0.495 486 HD12 ILE 60 HD12 ILE 60 1.921 5.440 -1.489 487 HD13 ILE 60 HD13 ILE 60 2.685 6.841 -2.241 488 H LEU 61 H LEU 61 6.782 4.341 -5.264 489 HA LEU 61 HA LEU 61 8.872 6.379 -5.537 490 HB2 LEU 61 HB3 LEU 61 8.273 3.958 -7.238 491 HB3 LEU 61 HB2 LEU 61 9.599 5.074 -7.499 492 HG LEU 61 HG LEU 61 9.256 3.336 -5.054 493 HD11 LEU 61 HD11 LEU 61 11.421 2.336 -6.101 494 HD12 LEU 61 HD12 LEU 61 10.771 2.996 -7.603 495 HD13 LEU 61 HD13 LEU 61 9.838 1.816 -6.682 496 HD21 LEU 61 HD21 LEU 61 11.124 5.507 -5.793 497 HD22 LEU 61 HD22 LEU 61 11.823 4.081 -5.025 498 HD23 LEU 61 HD23 LEU 61 10.551 4.989 -4.206 499 H GLN 62 H GLN 62 5.710 5.560 -6.632 500 HA GLN 62 HA GLN 62 5.323 8.024 -7.923 501 HB2 GLN 62 HB3 GLN 62 6.813 6.960 -9.618 502 HB3 GLN 62 HB2 GLN 62 5.608 5.697 -9.831 503 HG2 GLN 62 HG3 GLN 62 4.008 7.298 -10.652 504 HG3 GLN 62 HG2 GLN 62 5.120 8.626 -10.322 505 HE21 GLN 62 HE22 GLN 62 6.592 9.170 -11.816 506 HE22 GLN 62 HE21 GLN 62 6.835 8.336 -13.310 507 H ILE 63 H ILE 63 3.204 8.155 -9.024 508 HA ILE 63 HA ILE 63 1.356 6.035 -8.148 509 HB ILE 63 HB ILE 63 0.763 8.994 -8.059 510 HG12 ILE 63 HG13 ILE 63 2.427 8.302 -6.353 511 HG13 ILE 63 HG12 ILE 63 0.901 8.815 -5.639 512 HG21 ILE 63 HG21 ILE 63 -1.328 8.168 -8.207 513 HG22 ILE 63 HG22 ILE 63 -1.091 7.819 -6.495 514 HG23 ILE 63 HG23 ILE 63 -0.841 6.552 -7.697 515 HD11 ILE 63 HD11 ILE 63 2.091 6.090 -5.810 516 HD12 ILE 63 HD12 ILE 63 0.343 6.279 -5.680 517 HD13 ILE 63 HD13 ILE 63 1.397 6.931 -4.426 518 HA PRO 64 HA PRO 64 0.599 6.605 -12.614 519 HB2 PRO 64 HB2 PRO 64 -0.269 4.100 -13.083 520 HB3 PRO 64 HB3 PRO 64 1.450 4.484 -12.934 521 HG2 PRO 64 HG3 PRO 64 -0.413 3.321 -10.897 522 HG3 PRO 64 HG2 PRO 64 1.245 2.839 -11.297 523 HD2 PRO 64 HD3 PRO 64 0.630 4.403 -9.158 524 HD3 PRO 64 HD2 PRO 64 2.172 4.519 -10.030 525 H ALA 65 H ALA 65 -1.440 5.868 -9.973 526 HA ALA 65 HA ALA 65 -3.660 6.188 -9.594 527 HB1 ALA 65 HB1 ALA 65 -4.887 7.713 -10.985 528 HB2 ALA 65 HB2 ALA 65 -3.723 7.523 -12.296 529 HB3 ALA 65 HB3 ALA 65 -3.242 8.321 -10.798 530 H LEU 66 H LEU 66 -3.089 3.702 -10.328 531 HA LEU 66 HA LEU 66 -5.125 2.983 -12.333 532 HB2 LEU 66 HB3 LEU 66 -2.946 1.137 -11.413 533 HB3 LEU 66 HB2 LEU 66 -3.897 1.064 -12.885 534 HG LEU 66 HG LEU 66 -1.954 3.302 -12.383 535 HD11 LEU 66 HD11 LEU 66 -0.172 2.106 -13.110 536 HD12 LEU 66 HD12 LEU 66 -1.158 1.027 -14.100 537 HD13 LEU 66 HD13 LEU 66 -1.070 0.789 -12.354 538 HD21 LEU 66 HD21 LEU 66 -3.777 3.355 -14.185 539 HD22 LEU 66 HD22 LEU 66 -2.815 2.123 -15.002 540 HD23 LEU 66 HD23 LEU 66 -2.120 3.711 -14.676 541 H LYS 67 H LYS 67 -5.454 0.330 -11.751 542 HA LYS 67 HA LYS 67 -6.556 0.386 -9.018 543 HB2 LYS 67 HB3 LYS 67 -8.174 0.399 -11.033 544 HB3 LYS 67 HB2 LYS 67 -7.700 -1.282 -11.243 545 HG2 LYS 67 HG3 LYS 67 -8.475 -1.788 -8.984 546 HG3 LYS 67 HG2 LYS 67 -8.945 -0.100 -8.769 547 HD2 LYS 67 HD3 LYS 67 -10.589 -0.278 -10.512 548 HD3 LYS 67 HD2 LYS 67 -10.037 -1.902 -10.927 549 HE2 LYS 67 HE3 LYS 67 -11.014 -2.852 -9.080 550 HE3 LYS 67 HE2 LYS 67 -10.939 -1.362 -8.140 551 HZ1 LYS 67 HZ1 LYS 67 -12.854 -2.058 -10.290 552 HZ2 LYS 67 HZ2 LYS 67 -12.671 -0.479 -9.710 553 HZ3 LYS 67 HZ3 LYS 67 -13.191 -1.708 -8.670 554 H ASN 68 H ASN 68 -5.804 -2.018 -11.549 555 HA ASN 68 HA ASN 68 -4.536 -3.666 -9.459 556 HB2 ASN 68 HB3 ASN 68 -6.044 -4.516 -11.938 557 HB3 ASN 68 HB2 ASN 68 -5.102 -5.621 -10.941 558 HD21 ASN 68 HD22 ASN 68 -5.665 -5.349 -8.508 559 HD22 ASN 68 HD21 ASN 68 -7.356 -5.361 -8.151 560 H VAL 69 H VAL 69 -2.400 -3.402 -9.643 561 HA VAL 69 HA VAL 69 -1.129 -2.863 -12.164 562 HB VAL 69 HB VAL 69 0.188 -3.537 -9.530 563 HG11 VAL 69 HG11 VAL 69 1.628 -3.691 -11.525 564 HG12 VAL 69 HG12 VAL 69 2.117 -2.392 -10.436 565 HG13 VAL 69 HG13 VAL 69 1.234 -2.017 -11.915 566 HG21 VAL 69 HG21 VAL 69 0.061 -0.728 -10.372 567 HG22 VAL 69 HG22 VAL 69 -0.139 -1.446 -8.773 568 HG23 VAL 69 HG23 VAL 69 -1.489 -1.431 -9.908 569 HA PRO 70 HA PRO 70 -0.463 -7.114 -13.285 570 HB2 PRO 70 HB2 PRO 70 1.450 -6.747 -15.172 571 HB3 PRO 70 HB3 PRO 70 -0.254 -6.371 -15.450 572 HG2 PRO 70 HG3 PRO 70 2.000 -4.534 -14.737 573 HG3 PRO 70 HG2 PRO 70 0.702 -4.305 -15.924 574 HD2 PRO 70 HD3 PRO 70 0.645 -3.172 -13.465 575 HD3 PRO 70 HD2 PRO 70 -0.827 -3.674 -14.320 576 H ARG 71 H ARG 71 1.785 -8.354 -13.992 577 HA ARG 71 HA ARG 71 3.415 -8.196 -11.568 578 HB2 ARG 71 HB3 ARG 71 2.464 -10.340 -13.247 579 HB3 ARG 71 HB2 ARG 71 4.211 -10.422 -13.080 580 HG2 ARG 71 HG3 ARG 71 3.162 -11.754 -11.373 581 HG3 ARG 71 HG2 ARG 71 3.961 -10.365 -10.635 582 HD2 ARG 71 HD3 ARG 71 1.435 -9.414 -11.128 583 HD3 ARG 71 HD2 ARG 71 1.134 -11.096 -10.695 584 HE ARG 71 HE ARG 71 1.968 -8.994 -8.951 585 HH11 ARG 71 HH11 ARG 71 2.151 -12.437 -9.487 586 HH12 ARG 71 HH12 ARG 71 2.411 -12.810 -7.817 587 HH21 ARG 71 HH22 ARG 71 2.310 -9.482 -6.753 588 HH22 ARG 71 HH21 ARG 71 2.501 -11.133 -6.264 589 H LYS 72 H LYS 72 3.708 -6.310 -13.802 590 HA LYS 72 HA LYS 72 6.521 -6.882 -14.457 591 HB2 LYS 72 HB3 LYS 72 4.768 -7.012 -16.377 592 HB3 LYS 72 HB2 LYS 72 4.775 -5.256 -16.276 593 HG2 LYS 72 HG3 LYS 72 7.003 -5.106 -16.948 594 HG3 LYS 72 HG2 LYS 72 7.320 -6.804 -16.589 595 HD2 LYS 72 HD3 LYS 72 5.379 -7.079 -18.429 596 HD3 LYS 72 HD2 LYS 72 6.091 -5.559 -18.971 597 HE2 LYS 72 HE3 LYS 72 7.671 -8.067 -18.432 598 HE3 LYS 72 HE2 LYS 72 7.074 -7.601 -20.024 599 HZ1 LYS 72 HZ1 LYS 72 8.324 -5.420 -19.549 600 HZ2 LYS 72 HZ2 LYS 72 9.217 -6.782 -20.007 601 HZ3 LYS 72 HZ3 LYS 72 9.156 -6.317 -18.382 602 H ASP 73 H ASP 73 4.064 -4.382 -13.948 603 HA ASP 73 HA ASP 73 6.214 -2.463 -13.358 604 HB2 ASP 73 HB3 ASP 73 3.398 -2.137 -14.335 605 HB3 ASP 73 HB2 ASP 73 4.203 -0.808 -13.507 606 H THR 74 H THR 74 5.167 -4.559 -11.533 607 HA THR 74 HA THR 74 3.877 -2.922 -9.472 608 HB THR 74 HB THR 74 2.831 -5.085 -9.990 609 HG1 THR 74 HG1 THR 74 2.891 -4.207 -7.796 610 HG21 THR 74 HG21 THR 74 5.268 -6.136 -10.334 611 HG22 THR 74 HG22 THR 74 3.835 -7.094 -9.961 612 HG23 THR 74 HG23 THR 74 4.953 -6.641 -8.674 613 H HIS 75 H HIS 75 6.737 -2.719 -10.230 614 HA HIS 75 HA HIS 75 7.820 -3.032 -7.534 615 HB2 HIS 75 HB3 HIS 75 9.917 -3.977 -8.374 616 HB3 HIS 75 HB2 HIS 75 8.556 -5.026 -8.763 617 HD1 HIS 75 HD1 HIS 75 8.459 -5.791 -11.113 618 HD2 HIS 75 HD2 HIS 75 10.662 -2.290 -10.714 619 HE1 HIS 75 HE1 HIS 75 9.387 -5.316 -13.402 620 HE2 HIS 75 HE2 HIS 75 10.658 -3.155 -13.152 621 H LEU 76 H LEU 76 6.952 -0.849 -9.495 622 HA LEU 76 HA LEU 76 9.386 0.778 -9.210 623 HB2 LEU 76 HB3 LEU 76 7.684 0.323 -11.593 624 HB3 LEU 76 HB2 LEU 76 8.235 1.966 -11.325 625 HG LEU 76 HG LEU 76 10.398 0.032 -11.075 626 HD11 LEU 76 HD11 LEU 76 10.335 -0.045 -13.752 627 HD12 LEU 76 HD12 LEU 76 8.605 -0.113 -13.414 628 HD13 LEU 76 HD13 LEU 76 9.685 -1.327 -12.729 629 HD21 LEU 76 HD21 LEU 76 11.549 1.603 -12.465 630 HD22 LEU 76 HD22 LEU 76 10.597 2.508 -11.288 631 HD23 LEU 76 HD23 LEU 76 10.032 2.361 -12.953 632 H TYR 77 H TYR 77 6.398 0.368 -8.058 633 HA TYR 77 HA TYR 77 5.856 3.253 -7.843 634 HB2 TYR 77 HB3 TYR 77 3.909 0.959 -7.528 635 HB3 TYR 77 HB2 TYR 77 3.516 2.672 -7.429 636 HD1 TYR 77 HD2 TYR 77 4.635 3.959 -9.646 637 HD2 TYR 77 HD1 TYR 77 3.127 -0.014 -9.457 638 HE1 TYR 77 HE2 TYR 77 4.222 4.005 -12.070 639 HE2 TYR 77 HE1 TYR 77 2.711 0.021 -11.880 640 HH TYR 77 HH TYR 77 3.917 1.571 -13.931 641 H ILE 78 H ILE 78 6.362 0.272 -6.114 642 HA ILE 78 HA ILE 78 6.739 1.757 -3.652 643 HB ILE 78 HB ILE 78 4.356 1.207 -3.547 644 HG12 ILE 78 HG13 ILE 78 5.807 -0.637 -1.653 645 HG13 ILE 78 HG12 ILE 78 5.919 1.116 -1.515 646 HG21 ILE 78 HG21 ILE 78 5.156 -1.693 -3.626 647 HG22 ILE 78 HG22 ILE 78 4.537 -0.809 -5.021 648 HG23 ILE 78 HG23 ILE 78 3.526 -1.020 -3.592 649 HD11 ILE 78 HD11 ILE 78 3.191 0.554 -1.704 650 HD12 ILE 78 HD12 ILE 78 4.092 1.055 -0.273 651 HD13 ILE 78 HD13 ILE 78 3.859 -0.660 -0.612 652 H ALA 79 H ALA 79 8.274 0.863 -2.372 653 HA ALA 79 HA ALA 79 9.049 -1.921 -2.783 654 HB1 ALA 79 HB1 ALA 79 10.393 -0.052 -4.179 655 HB2 ALA 79 HB2 ALA 79 11.121 -1.549 -3.599 656 HB3 ALA 79 HB3 ALA 79 11.331 -0.056 -2.686 657 HA PRO 80 HA PRO 80 9.309 -1.888 1.642 658 HB2 PRO 80 HB2 PRO 80 11.538 -3.818 1.226 659 HB3 PRO 80 HB3 PRO 80 10.082 -3.975 2.217 660 HG2 PRO 80 HG3 PRO 80 10.293 -5.271 -0.098 661 HG3 PRO 80 HG2 PRO 80 8.752 -4.554 0.408 662 HD2 PRO 80 HD3 PRO 80 10.723 -3.583 -1.615 663 HD3 PRO 80 HD2 PRO 80 8.949 -3.511 -1.640 664 H LYS 81 H LYS 81 10.267 -0.362 2.819 665 HA LYS 81 HA LYS 81 13.075 0.309 2.242 666 HB2 LYS 81 HB3 LYS 81 10.919 1.980 2.192 667 HB3 LYS 81 HB2 LYS 81 11.495 2.217 3.835 668 HG2 LYS 81 HG3 LYS 81 13.482 2.315 1.632 669 HG3 LYS 81 HG2 LYS 81 12.376 3.676 1.824 670 HD2 LYS 81 HD3 LYS 81 13.585 2.752 4.327 671 HD3 LYS 81 HD2 LYS 81 14.747 3.371 3.151 672 HE2 LYS 81 HE3 LYS 81 14.204 5.328 4.175 673 HE3 LYS 81 HE2 LYS 81 12.935 5.300 2.951 674 HZ1 LYS 81 HZ1 LYS 81 11.645 5.642 4.750 675 HZ2 LYS 81 HZ2 LYS 81 12.744 4.947 5.832 676 HZ3 LYS 81 HZ3 LYS 81 11.740 3.960 4.895 677 H THR 82 H THR 82 12.892 -1.842 3.768 678 HA THR 82 HA THR 82 13.085 -0.954 6.562 679 HB THR 82 HB THR 82 13.272 -3.640 6.738 680 HG1 THR 82 HG1 THR 82 13.044 -3.886 4.467 681 HG21 THR 82 HG21 THR 82 11.446 -3.290 7.923 682 HG22 THR 82 HG22 THR 82 10.508 -3.190 6.434 683 HG23 THR 82 HG23 THR 82 11.207 -1.730 7.134 684 H LYS 83 H LYS 83 14.714 -2.599 7.761 685 HA LYS 83 HA LYS 83 16.927 -2.808 8.280 686 HB2 LYS 83 HB3 LYS 83 18.167 -4.239 6.806 687 HB3 LYS 83 HB2 LYS 83 16.488 -4.757 6.789 688 HG2 LYS 83 HG3 LYS 83 16.123 -3.838 4.645 689 HG3 LYS 83 HG2 LYS 83 17.644 -2.944 4.692 690 HD2 LYS 83 HD3 LYS 83 18.925 -4.876 4.389 691 HD3 LYS 83 HD2 LYS 83 17.598 -5.939 4.861 692 HE2 LYS 83 HE3 LYS 83 16.875 -6.085 2.760 693 HE3 LYS 83 HE2 LYS 83 16.871 -4.332 2.578 694 HZ1 LYS 83 HZ1 LYS 83 19.135 -4.357 1.931 695 HZ2 LYS 83 HZ2 LYS 83 18.361 -5.553 1.020 696 HZ3 LYS 83 HZ3 LYS 83 19.320 -5.987 2.344 697 H GLU 84 H GLU 84 19.278 -2.605 6.936 698 HA GLU 84 HA GLU 84 19.316 0.241 6.196 699 HB2 GLU 84 HB3 GLU 84 21.671 0.226 6.868 700 HB3 GLU 84 HB2 GLU 84 20.633 -0.320 8.179 701 HG2 GLU 84 HG3 GLU 84 22.061 -2.012 8.372 702 HG3 GLU 84 HG2 GLU 84 21.275 -2.667 6.937 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -4.617 7.784 -8.006 2 H2 MET 1 H2 MET 1 -3.659 8.481 -6.768 3 H3 MET 1 H3 MET 1 -5.370 8.548 -6.666 4 HA MET 1 HA MET 1 -5.413 6.129 -6.582 5 HB2 MET 1 HB3 MET 1 -2.989 6.181 -7.610 6 HB3 MET 1 HB2 MET 1 -2.494 6.256 -5.925 7 HG2 MET 1 HG3 MET 1 -3.285 4.145 -5.455 8 HG3 MET 1 HG2 MET 1 -4.415 4.154 -6.807 9 HE1 MET 1 HE1 MET 1 -2.884 1.908 -9.092 10 HE2 MET 1 HE2 MET 1 -4.256 2.505 -8.157 11 HE3 MET 1 HE3 MET 1 -3.135 1.348 -7.438 12 H ARG 2 H ARG 2 -4.901 4.964 -4.446 13 HA ARG 2 HA ARG 2 -4.385 6.775 -2.224 14 HB2 ARG 2 HB3 ARG 2 -6.869 5.106 -2.086 15 HB3 ARG 2 HB2 ARG 2 -6.440 6.534 -1.156 16 HG2 ARG 2 HG3 ARG 2 -6.918 7.973 -2.977 17 HG3 ARG 2 HG2 ARG 2 -7.043 6.618 -4.099 18 HD2 ARG 2 HD3 ARG 2 -9.236 6.648 -3.720 19 HD3 ARG 2 HD2 ARG 2 -8.880 6.022 -2.110 20 HE ARG 2 HE ARG 2 -8.596 8.700 -1.820 21 HH11 ARG 2 HH11 ARG 2 -11.149 6.683 -3.083 22 HH12 ARG 2 HH12 ARG 2 -12.410 7.776 -2.625 23 HH21 ARG 2 HH22 ARG 2 -10.255 10.139 -1.215 24 HH22 ARG 2 HH21 ARG 2 -11.903 9.738 -1.564 25 H ILE 3 H ILE 3 -4.228 5.609 -0.144 26 HA ILE 3 HA ILE 3 -2.542 3.399 -0.291 27 HB ILE 3 HB ILE 3 -2.647 4.874 1.652 28 HG12 ILE 3 HG13 ILE 3 -1.881 2.393 1.699 29 HG13 ILE 3 HG12 ILE 3 -2.082 3.252 3.217 30 HG21 ILE 3 HG21 ILE 3 -5.321 3.580 2.146 31 HG22 ILE 3 HG22 ILE 3 -5.000 5.279 1.808 32 HG23 ILE 3 HG23 ILE 3 -4.453 4.566 3.323 33 HD11 ILE 3 HD11 ILE 3 -3.180 0.804 2.507 34 HD12 ILE 3 HD12 ILE 3 -4.529 1.937 2.452 35 HD13 ILE 3 HD13 ILE 3 -3.574 1.775 3.924 36 H ASP 4 H ASP 4 -6.002 3.555 -0.308 37 HA ASP 4 HA ASP 4 -6.408 0.821 0.465 38 HB2 ASP 4 HB3 ASP 4 -8.754 1.219 -0.202 39 HB3 ASP 4 HB2 ASP 4 -8.152 2.466 0.887 40 H LYS 5 H LYS 5 -6.504 2.606 -2.610 41 HA LYS 5 HA LYS 5 -6.828 0.117 -4.084 42 HB2 LYS 5 HB3 LYS 5 -7.887 2.513 -4.542 43 HB3 LYS 5 HB2 LYS 5 -6.410 2.714 -5.472 44 HG2 LYS 5 HG3 LYS 5 -6.975 0.631 -6.705 45 HG3 LYS 5 HG2 LYS 5 -8.519 0.604 -5.852 46 HD2 LYS 5 HD3 LYS 5 -7.656 3.038 -7.369 47 HD3 LYS 5 HD2 LYS 5 -8.403 1.676 -8.205 48 HE2 LYS 5 HE3 LYS 5 -9.767 2.631 -5.766 49 HE3 LYS 5 HE2 LYS 5 -9.796 3.719 -7.152 50 HZ1 LYS 5 HZ1 LYS 5 -11.145 2.358 -8.302 51 HZ2 LYS 5 HZ2 LYS 5 -11.565 1.771 -6.772 52 HZ3 LYS 5 HZ3 LYS 5 -10.431 0.943 -7.715 53 H PHE 6 H PHE 6 -4.232 1.791 -2.848 54 HA PHE 6 HA PHE 6 -2.456 1.476 -5.098 55 HB2 PHE 6 HB3 PHE 6 -2.210 3.373 -3.560 56 HB3 PHE 6 HB2 PHE 6 -1.856 2.260 -2.243 57 HD1 PHE 6 HD2 PHE 6 -0.602 3.710 -5.372 58 HD2 PHE 6 HD1 PHE 6 0.290 1.230 -2.030 59 HE1 PHE 6 HE2 PHE 6 1.787 3.790 -5.954 60 HE2 PHE 6 HE1 PHE 6 2.681 1.306 -2.606 61 HZ PHE 6 HZ PHE 6 3.432 2.587 -4.571 62 H LEU 7 H LEU 7 -2.071 0.316 -1.744 63 HA LEU 7 HA LEU 7 -0.306 -1.766 -2.593 64 HB2 LEU 7 HB3 LEU 7 -0.275 -2.416 -0.225 65 HB3 LEU 7 HB2 LEU 7 0.051 -0.710 -0.464 66 HG LEU 7 HG LEU 7 -2.477 -0.396 0.045 67 HD11 LEU 7 HD11 LEU 7 -1.958 -3.194 0.987 68 HD12 LEU 7 HD12 LEU 7 -3.314 -2.574 0.045 69 HD13 LEU 7 HD13 LEU 7 -3.172 -2.171 1.757 70 HD21 LEU 7 HD21 LEU 7 -1.089 0.564 1.593 71 HD22 LEU 7 HD22 LEU 7 -0.234 -0.942 1.924 72 HD23 LEU 7 HD23 LEU 7 -1.850 -0.683 2.581 73 H GLN 8 H GLN 8 -3.662 -1.539 -2.449 74 HA GLN 8 HA GLN 8 -4.085 -4.371 -1.954 75 HB2 GLN 8 HB3 GLN 8 -6.031 -2.165 -2.614 76 HB3 GLN 8 HB2 GLN 8 -6.473 -3.804 -2.158 77 HG2 GLN 8 HG3 GLN 8 -5.186 -3.373 -0.004 78 HG3 GLN 8 HG2 GLN 8 -5.198 -1.673 -0.473 79 HE21 GLN 8 HE22 GLN 8 -6.490 -3.236 1.748 80 HE22 GLN 8 HE21 GLN 8 -8.156 -2.784 1.680 81 H SER 9 H SER 9 -4.002 -2.102 -4.604 82 HA SER 9 HA SER 9 -5.186 -3.899 -6.511 83 HB2 SER 9 HB3 SER 9 -3.734 -1.265 -6.804 84 HB3 SER 9 HB2 SER 9 -4.381 -2.167 -8.174 85 HG SER 9 HG SER 9 -6.447 -2.042 -7.100 86 H VAL 10 H VAL 10 -1.946 -3.047 -5.484 87 HA VAL 10 HA VAL 10 -0.479 -4.111 -7.609 88 HB VAL 10 HB VAL 10 1.370 -4.398 -5.955 89 HG11 VAL 10 HG11 VAL 10 1.216 -2.299 -7.041 90 HG12 VAL 10 HG12 VAL 10 1.465 -1.956 -5.328 91 HG13 VAL 10 HG13 VAL 10 -0.143 -1.799 -6.034 92 HG21 VAL 10 HG21 VAL 10 -0.881 -3.990 -4.089 93 HG22 VAL 10 HG22 VAL 10 0.625 -3.164 -3.690 94 HG23 VAL 10 HG23 VAL 10 0.607 -4.916 -3.890 95 H GLY 11 H GLY 11 -2.010 -5.673 -4.870 96 HA2 GLY 11 HA3 GLY 11 -2.731 -7.992 -5.253 97 HA3 GLY 11 HA2 GLY 11 -1.157 -8.276 -5.980 98 H LEU 12 H LEU 12 -1.559 -6.376 -3.073 99 HA LEU 12 HA LEU 12 -0.037 -8.408 -1.608 100 HB2 LEU 12 HB3 LEU 12 -0.205 -5.477 -1.549 101 HB3 LEU 12 HB2 LEU 12 -0.158 -6.222 0.036 102 HG LEU 12 HG LEU 12 1.864 -7.132 -1.937 103 HD11 LEU 12 HD11 LEU 12 2.631 -4.721 -0.443 104 HD12 LEU 12 HD12 LEU 12 1.509 -4.455 -1.778 105 HD13 LEU 12 HD13 LEU 12 3.062 -5.236 -2.074 106 HD21 LEU 12 HD21 LEU 12 1.466 -7.782 0.586 107 HD22 LEU 12 HD22 LEU 12 2.414 -6.323 0.872 108 HD23 LEU 12 HD23 LEU 12 3.094 -7.644 -0.079 109 H VAL 13 H VAL 13 -2.900 -6.339 -1.318 110 HA VAL 13 HA VAL 13 -3.773 -7.178 1.192 111 HB VAL 13 HB VAL 13 -4.712 -5.254 -0.056 112 HG11 VAL 13 HG11 VAL 13 -6.024 -7.414 -1.694 113 HG12 VAL 13 HG12 VAL 13 -4.940 -6.142 -2.257 114 HG13 VAL 13 HG13 VAL 13 -6.555 -5.732 -1.681 115 HG21 VAL 13 HG21 VAL 13 -6.292 -7.293 1.346 116 HG22 VAL 13 HG22 VAL 13 -7.234 -6.134 0.409 117 HG23 VAL 13 HG23 VAL 13 -6.129 -5.566 1.661 118 H LYS 14 H LYS 14 -5.115 -8.802 1.912 119 HA LYS 14 HA LYS 14 -4.975 -11.298 0.698 120 HB2 LYS 14 HB3 LYS 14 -6.801 -10.179 2.812 121 HB3 LYS 14 HB2 LYS 14 -6.937 -11.848 2.272 122 HG2 LYS 14 HG3 LYS 14 -4.289 -10.806 3.160 123 HG3 LYS 14 HG2 LYS 14 -5.504 -11.246 4.361 124 HD2 LYS 14 HD3 LYS 14 -5.682 -13.450 3.003 125 HD3 LYS 14 HD2 LYS 14 -4.109 -12.978 2.356 126 HE2 LYS 14 HE3 LYS 14 -3.522 -12.632 4.887 127 HE3 LYS 14 HE2 LYS 14 -4.874 -13.733 5.141 128 HZ1 LYS 14 HZ1 LYS 14 -3.042 -15.124 5.005 129 HZ2 LYS 14 HZ2 LYS 14 -2.318 -14.241 3.756 130 HZ3 LYS 14 HZ3 LYS 14 -3.675 -15.198 3.439 131 H ARG 15 H ARG 15 -7.173 -8.687 0.150 132 HA ARG 15 HA ARG 15 -8.832 -8.378 -1.372 133 HB2 ARG 15 HB3 ARG 15 -7.075 -9.991 -2.660 134 HB3 ARG 15 HB2 ARG 15 -8.510 -11.006 -2.687 135 HG2 ARG 15 HG3 ARG 15 -9.565 -9.700 -4.178 136 HG3 ARG 15 HG2 ARG 15 -8.953 -8.208 -3.460 137 HD2 ARG 15 HD3 ARG 15 -6.673 -9.250 -4.480 138 HD3 ARG 15 HD2 ARG 15 -7.856 -9.857 -5.639 139 HE ARG 15 HE ARG 15 -8.479 -7.227 -5.411 140 HH11 ARG 15 HH11 ARG 15 -5.527 -8.949 -6.122 141 HH12 ARG 15 HH12 ARG 15 -4.883 -7.686 -7.115 142 HH21 ARG 15 HH22 ARG 15 -7.633 -5.565 -6.717 143 HH22 ARG 15 HH21 ARG 15 -6.077 -5.765 -7.453 144 H ARG 16 H ARG 16 -9.597 -9.325 1.067 145 HA ARG 16 HA ARG 16 -12.171 -10.304 0.585 146 HB2 ARG 16 HB3 ARG 16 -10.437 -12.362 0.317 147 HB3 ARG 16 HB2 ARG 16 -10.754 -12.452 2.044 148 HG2 ARG 16 HG3 ARG 16 -12.487 -13.724 1.442 149 HG3 ARG 16 HG2 ARG 16 -13.270 -12.190 1.059 150 HD2 ARG 16 HD3 ARG 16 -13.384 -12.746 -1.089 151 HD3 ARG 16 HD2 ARG 16 -11.640 -12.991 -1.148 152 HE ARG 16 HE ARG 16 -13.672 -15.014 -0.956 153 HH11 ARG 16 HH11 ARG 16 -10.324 -14.254 -0.325 154 HH12 ARG 16 HH12 ARG 16 -9.814 -15.909 -0.354 155 HH21 ARG 16 HH22 ARG 16 -13.003 -17.190 -0.992 156 HH22 ARG 16 HH21 ARG 16 -11.334 -17.576 -0.732 157 H VAL 17 H VAL 17 -13.252 -11.029 2.691 158 HA VAL 17 HA VAL 17 -13.808 -10.614 4.860 159 HB VAL 17 HB VAL 17 -10.884 -10.014 5.316 160 HG11 VAL 17 HG11 VAL 17 -11.315 -10.508 7.614 161 HG12 VAL 17 HG12 VAL 17 -12.963 -11.022 7.251 162 HG13 VAL 17 HG13 VAL 17 -12.510 -9.325 7.084 163 HG21 VAL 17 HG21 VAL 17 -10.380 -12.200 5.298 164 HG22 VAL 17 HG22 VAL 17 -11.854 -12.376 4.347 165 HG23 VAL 17 HG23 VAL 17 -11.890 -12.653 6.088 166 H LEU 18 H LEU 18 -15.045 -8.799 4.497 167 HA LEU 18 HA LEU 18 -15.682 -6.619 4.616 168 HB2 LEU 18 HB3 LEU 18 -13.459 -6.874 6.540 169 HB3 LEU 18 HB2 LEU 18 -13.848 -5.234 6.054 170 HG LEU 18 HG LEU 18 -16.235 -6.741 6.752 171 HD11 LEU 18 HD11 LEU 18 -15.726 -6.693 9.218 172 HD12 LEU 18 HD12 LEU 18 -14.027 -6.513 8.781 173 HD13 LEU 18 HD13 LEU 18 -14.914 -7.957 8.294 174 HD21 LEU 18 HD21 LEU 18 -15.259 -4.372 8.259 175 HD22 LEU 18 HD22 LEU 18 -16.879 -4.756 7.674 176 HD23 LEU 18 HD23 LEU 18 -15.651 -4.171 6.551 177 H ALA 19 H ALA 19 -14.696 -4.238 4.376 178 HA ALA 19 HA ALA 19 -13.085 -4.341 1.923 179 HB1 ALA 19 HB1 ALA 19 -15.249 -2.581 2.897 180 HB2 ALA 19 HB2 ALA 19 -14.897 -3.155 1.267 181 HB3 ALA 19 HB3 ALA 19 -13.974 -1.815 1.950 182 H THR 20 H THR 20 -10.988 -4.273 2.558 183 HA THR 20 HA THR 20 -9.024 -3.439 3.342 184 HB THR 20 HB THR 20 -10.564 -0.839 3.501 185 HG1 THR 20 HG1 THR 20 -10.577 -1.752 1.411 186 HG21 THR 20 HG21 THR 20 -7.606 -1.350 3.320 187 HG22 THR 20 HG22 THR 20 -8.475 -0.637 4.679 188 HG23 THR 20 HG23 THR 20 -8.381 0.224 3.143 189 H ASP 21 H ASP 21 -9.311 -4.761 5.241 190 HA ASP 21 HA ASP 21 -10.428 -3.609 7.624 191 HB2 ASP 21 HB3 ASP 21 -9.775 -6.195 6.758 192 HB3 ASP 21 HB2 ASP 21 -8.706 -5.882 8.122 193 H MET 22 H MET 22 -7.369 -3.546 6.082 194 HA MET 22 HA MET 22 -5.562 -3.368 8.153 195 HB2 MET 22 HB3 MET 22 -5.678 -2.000 5.477 196 HB3 MET 22 HB2 MET 22 -4.339 -1.727 6.583 197 HG2 MET 22 HG3 MET 22 -3.391 -3.676 6.090 198 HG3 MET 22 HG2 MET 22 -4.919 -4.548 6.205 199 HE1 MET 22 HE1 MET 22 -4.105 -6.129 4.476 200 HE2 MET 22 HE2 MET 22 -4.498 -5.884 2.774 201 HE3 MET 22 HE3 MET 22 -5.774 -5.827 3.991 202 H CYS 23 H CYS 23 -7.773 -0.902 6.951 203 HA CYS 23 HA CYS 23 -6.699 1.242 8.469 204 HB2 CYS 23 HB3 CYS 23 -8.720 2.446 7.874 205 HB3 CYS 23 HB2 CYS 23 -8.129 1.561 6.471 206 HG CYS 23 HG CYS 23 -10.717 0.902 8.032 207 H ASN 24 H ASN 24 -8.986 -1.295 9.156 208 HA ASN 24 HA ASN 24 -9.980 -0.062 11.564 209 HB2 ASN 24 HB3 ASN 24 -10.981 -1.974 9.903 210 HB3 ASN 24 HB2 ASN 24 -10.358 -2.968 11.216 211 HD21 ASN 24 HD22 ASN 24 -11.149 -2.591 13.345 212 HD22 ASN 24 HD21 ASN 24 -12.711 -1.893 13.586 213 H VAL 25 H VAL 25 -7.792 -2.741 10.768 214 HA VAL 25 HA VAL 25 -7.221 -3.458 13.444 215 HB VAL 25 HB VAL 25 -5.291 -4.674 12.528 216 HG11 VAL 25 HG11 VAL 25 -7.339 -5.269 10.497 217 HG12 VAL 25 HG12 VAL 25 -7.902 -5.249 12.169 218 HG13 VAL 25 HG13 VAL 25 -6.585 -6.321 11.693 219 HG21 VAL 25 HG21 VAL 25 -5.133 -4.638 9.950 220 HG22 VAL 25 HG22 VAL 25 -4.380 -3.330 10.863 221 HG23 VAL 25 HG23 VAL 25 -5.939 -3.074 10.080 222 H GLY 26 H GLY 26 -5.690 -1.231 11.170 223 HA2 GLY 26 HA3 GLY 26 -4.716 0.796 12.187 224 HA3 GLY 26 HA2 GLY 26 -4.012 -0.259 13.403 225 H ALA 27 H ALA 27 -4.138 -0.915 9.945 226 HA ALA 27 HA ALA 27 -1.215 -1.056 9.930 227 HB1 ALA 27 HB1 ALA 27 -3.375 -2.285 8.291 228 HB2 ALA 27 HB2 ALA 27 -1.957 -3.028 9.031 229 HB3 ALA 27 HB3 ALA 27 -1.783 -2.062 7.565 230 H VAL 28 H VAL 28 -3.895 0.383 8.103 231 HA VAL 28 HA VAL 28 -2.407 1.722 6.164 232 HB VAL 28 HB VAL 28 -4.968 2.717 7.422 233 HG11 VAL 28 HG11 VAL 28 -3.320 3.679 5.275 234 HG12 VAL 28 HG12 VAL 28 -4.771 4.392 5.978 235 HG13 VAL 28 HG13 VAL 28 -4.910 3.220 4.667 236 HG21 VAL 28 HG21 VAL 28 -6.028 1.486 5.475 237 HG22 VAL 28 HG22 VAL 28 -5.409 0.487 6.791 238 HG23 VAL 28 HG23 VAL 28 -4.488 0.645 5.296 239 H TRP 29 H TRP 29 -0.785 3.084 6.505 240 HA TRP 29 HA TRP 29 -1.192 5.347 8.298 241 HB2 TRP 29 HB3 TRP 29 0.896 3.242 8.632 242 HB3 TRP 29 HB2 TRP 29 1.331 4.910 8.989 243 HD1 TRP 29 HD1 TRP 29 -1.521 2.461 9.991 244 HE1 TRP 29 HE1 TRP 29 -2.066 2.866 12.474 245 HE3 TRP 29 HE3 TRP 29 1.722 6.304 10.917 246 HZ2 TRP 29 HZ2 TRP 29 -1.231 4.586 14.550 247 HZ3 TRP 29 HZ3 TRP 29 1.786 7.272 13.178 248 HH2 TRP 29 HH2 TRP 29 0.340 6.431 14.955 249 H LEU 30 H LEU 30 -0.906 7.050 7.028 250 HA LEU 30 HA LEU 30 1.193 6.939 4.966 251 HB2 LEU 30 HB3 LEU 30 -1.032 7.247 4.047 252 HB3 LEU 30 HB2 LEU 30 -1.315 8.613 5.109 253 HG LEU 30 HG LEU 30 0.467 9.868 3.946 254 HD11 LEU 30 HD11 LEU 30 1.547 9.057 2.017 255 HD12 LEU 30 HD12 LEU 30 0.490 7.648 1.922 256 HD13 LEU 30 HD13 LEU 30 1.681 7.770 3.216 257 HD21 LEU 30 HD21 LEU 30 -2.000 9.830 3.260 258 HD22 LEU 30 HD22 LEU 30 -1.469 8.837 1.901 259 HD23 LEU 30 HD23 LEU 30 -0.834 10.470 2.102 260 H ASN 31 H ASN 31 2.832 8.361 5.012 261 HA ASN 31 HA ASN 31 4.243 9.979 5.757 262 HB2 ASN 31 HB3 ASN 31 1.858 11.240 5.243 263 HB3 ASN 31 HB2 ASN 31 2.182 11.728 6.904 264 HD21 ASN 31 HD22 ASN 31 2.929 12.199 3.637 265 HD22 ASN 31 HD21 ASN 31 4.211 13.339 3.843 266 H GLY 32 H GLY 32 3.501 7.836 7.550 267 HA2 GLY 32 HA3 GLY 32 4.034 7.236 9.708 268 HA3 GLY 32 HA2 GLY 32 4.647 8.865 9.946 269 H SER 33 H SER 33 1.372 8.310 8.899 270 HA SER 33 HA SER 33 0.378 8.780 11.617 271 HB2 SER 33 HB3 SER 33 -1.152 10.513 10.848 272 HB3 SER 33 HB2 SER 33 0.505 10.971 10.455 273 HG SER 33 HG SER 33 -0.852 11.317 8.679 274 H CYS 34 H CYS 34 -1.579 7.843 12.080 275 HA CYS 34 HA CYS 34 -2.368 5.606 10.595 276 HB2 CYS 34 HB3 CYS 34 -2.806 5.903 13.016 277 HB3 CYS 34 HB2 CYS 34 -4.000 7.138 12.630 278 HG CYS 34 HG CYS 34 -4.476 4.168 12.595 279 H ALA 35 H ALA 35 -3.530 5.421 8.805 280 HA ALA 35 HA ALA 35 -5.322 7.642 8.060 281 HB1 ALA 35 HB1 ALA 35 -3.802 7.766 6.369 282 HB2 ALA 35 HB2 ALA 35 -4.881 6.551 5.682 283 HB3 ALA 35 HB3 ALA 35 -3.383 6.056 6.470 284 H LYS 36 H LYS 36 -7.083 6.932 6.515 285 HA LYS 36 HA LYS 36 -8.335 4.532 7.612 286 HB2 LYS 36 HB3 LYS 36 -9.290 7.089 6.929 287 HB3 LYS 36 HB2 LYS 36 -9.999 5.987 5.757 288 HG2 LYS 36 HG3 LYS 36 -10.139 4.957 8.468 289 HG3 LYS 36 HG2 LYS 36 -10.945 6.517 8.289 290 HD2 LYS 36 HD3 LYS 36 -11.907 5.341 6.113 291 HD3 LYS 36 HD2 LYS 36 -11.587 3.889 7.061 292 HE2 LYS 36 HE3 LYS 36 -13.037 6.176 8.315 293 HE3 LYS 36 HE2 LYS 36 -13.902 5.098 7.221 294 HZ1 LYS 36 HZ1 LYS 36 -12.688 3.330 8.786 295 HZ2 LYS 36 HZ2 LYS 36 -14.229 3.947 9.111 296 HZ3 LYS 36 HZ3 LYS 36 -12.876 4.595 9.892 297 H ALA 37 H ALA 37 -10.114 3.961 5.532 298 HA ALA 37 HA ALA 37 -8.291 2.652 3.658 299 HB1 ALA 37 HB1 ALA 37 -10.405 1.386 3.020 300 HB2 ALA 37 HB2 ALA 37 -11.158 2.166 4.411 301 HB3 ALA 37 HB3 ALA 37 -9.765 1.109 4.640 302 H SER 38 H SER 38 -9.006 5.522 3.480 303 HA SER 38 HA SER 38 -9.658 5.541 0.664 304 HB2 SER 38 HB3 SER 38 -11.751 5.889 2.437 305 HB3 SER 38 HB2 SER 38 -11.286 7.543 2.040 306 HG SER 38 HG SER 38 -11.994 5.475 0.230 307 H LYS 39 H LYS 39 -7.406 6.237 2.450 308 HA LYS 39 HA LYS 39 -7.240 9.129 2.300 309 HB2 LYS 39 HB3 LYS 39 -5.976 7.074 3.829 310 HB3 LYS 39 HB2 LYS 39 -4.728 7.980 2.985 311 HG2 LYS 39 HG3 LYS 39 -6.803 9.597 4.305 312 HG3 LYS 39 HG2 LYS 39 -5.740 8.679 5.375 313 HD2 LYS 39 HD3 LYS 39 -3.906 9.900 4.822 314 HD3 LYS 39 HD2 LYS 39 -4.449 10.165 3.164 315 HE2 LYS 39 HE3 LYS 39 -4.807 12.265 3.901 316 HE3 LYS 39 HE2 LYS 39 -6.312 11.573 4.504 317 HZ1 LYS 39 HZ1 LYS 39 -5.269 12.821 6.240 318 HZ2 LYS 39 HZ2 LYS 39 -3.808 11.986 6.046 319 HZ3 LYS 39 HZ3 LYS 39 -5.172 11.181 6.640 320 H GLU 40 H GLU 40 -6.617 10.133 0.516 321 HA GLU 40 HA GLU 40 -5.605 8.850 -1.762 322 HB2 GLU 40 HB3 GLU 40 -5.115 11.168 -2.567 323 HB3 GLU 40 HB2 GLU 40 -6.762 10.935 -1.997 324 HG2 GLU 40 HG3 GLU 40 -6.525 12.392 -0.314 325 HG3 GLU 40 HG2 GLU 40 -4.878 11.875 0.042 326 H VAL 41 H VAL 41 -3.579 8.583 -2.585 327 HA VAL 41 HA VAL 41 -1.341 9.295 -0.801 328 HB VAL 41 HB VAL 41 -0.123 7.372 -1.760 329 HG11 VAL 41 HG11 VAL 41 -0.979 6.719 0.241 330 HG12 VAL 41 HG12 VAL 41 -1.867 5.609 -0.802 331 HG13 VAL 41 HG13 VAL 41 -2.641 7.083 -0.224 332 HG21 VAL 41 HG21 VAL 41 -2.171 5.789 -2.814 333 HG22 VAL 41 HG22 VAL 41 -0.822 6.512 -3.690 334 HG23 VAL 41 HG23 VAL 41 -2.360 7.366 -3.578 335 H LYS 42 H LYS 42 0.678 9.835 -1.795 336 HA LYS 42 HA LYS 42 0.437 10.763 -4.581 337 HB2 LYS 42 HB3 LYS 42 0.288 12.629 -2.922 338 HB3 LYS 42 HB2 LYS 42 1.905 12.213 -2.374 339 HG2 LYS 42 HG3 LYS 42 2.016 14.077 -3.886 340 HG3 LYS 42 HG2 LYS 42 2.761 12.666 -4.638 341 HD2 LYS 42 HD3 LYS 42 1.388 12.868 -6.375 342 HD3 LYS 42 HD2 LYS 42 0.002 12.649 -5.307 343 HE2 LYS 42 HE3 LYS 42 -0.594 14.742 -5.754 344 HE3 LYS 42 HE2 LYS 42 0.853 15.287 -4.907 345 HZ1 LYS 42 HZ1 LYS 42 2.046 15.007 -7.073 346 HZ2 LYS 42 HZ2 LYS 42 0.895 16.246 -7.050 347 HZ3 LYS 42 HZ3 LYS 42 0.542 14.777 -7.811 348 H ALA 43 H ALA 43 2.491 11.000 -5.711 349 HA ALA 43 HA ALA 43 4.122 8.731 -5.457 350 HB1 ALA 43 HB1 ALA 43 4.241 11.234 -7.064 351 HB2 ALA 43 HB2 ALA 43 4.147 9.555 -7.594 352 HB3 ALA 43 HB3 ALA 43 5.672 10.205 -6.993 353 H GLY 44 H GLY 44 6.298 8.506 -4.825 354 HA2 GLY 44 HA3 GLY 44 8.125 8.841 -3.475 355 HA3 GLY 44 HA2 GLY 44 7.856 10.564 -3.691 356 H ASP 45 H ASP 45 5.424 8.464 -2.329 357 HA ASP 45 HA ASP 45 5.732 9.876 0.230 358 HB2 ASP 45 HB3 ASP 45 3.372 8.534 -1.081 359 HB3 ASP 45 HB2 ASP 45 3.366 8.975 0.624 360 H THR 46 H THR 46 5.021 8.551 2.177 361 HA THR 46 HA THR 46 6.434 5.993 2.077 362 HB THR 46 HB THR 46 5.475 7.484 4.521 363 HG1 THR 46 HG1 THR 46 7.602 8.294 4.617 364 HG21 THR 46 HG21 THR 46 6.105 5.548 5.460 365 HG22 THR 46 HG22 THR 46 7.720 6.231 5.275 366 HG23 THR 46 HG23 THR 46 7.109 5.081 4.087 367 H ILE 47 H ILE 47 5.554 4.095 2.994 368 HA ILE 47 HA ILE 47 2.666 4.113 3.513 369 HB ILE 47 HB ILE 47 3.980 2.072 1.717 370 HG12 ILE 47 HG13 ILE 47 3.916 4.308 0.654 371 HG13 ILE 47 HG12 ILE 47 2.847 3.159 -0.145 372 HG21 ILE 47 HG21 ILE 47 1.822 1.205 1.350 373 HG22 ILE 47 HG22 ILE 47 1.047 2.600 2.103 374 HG23 ILE 47 HG23 ILE 47 1.942 1.448 3.093 375 HD11 ILE 47 HD11 ILE 47 1.103 4.477 0.179 376 HD12 ILE 47 HD12 ILE 47 2.211 5.701 0.800 377 HD13 ILE 47 HD13 ILE 47 1.430 4.575 1.910 378 H SER 48 H SER 48 2.751 3.573 5.631 379 HA SER 48 HA SER 48 4.521 1.441 6.525 380 HB2 SER 48 HB3 SER 48 4.509 3.253 8.030 381 HB3 SER 48 HB2 SER 48 2.756 3.426 7.945 382 HG SER 48 HG SER 48 2.535 1.555 9.140 383 H LEU 49 H LEU 49 3.763 -0.387 7.708 384 HA LEU 49 HA LEU 49 0.927 -1.042 7.408 385 HB2 LEU 49 HB3 LEU 49 3.061 -2.177 5.854 386 HB3 LEU 49 HB2 LEU 49 2.349 -3.422 6.862 387 HG LEU 49 HG LEU 49 0.152 -2.985 5.917 388 HD11 LEU 49 HD11 LEU 49 1.583 -0.734 4.558 389 HD12 LEU 49 HD12 LEU 49 0.068 -0.710 5.461 390 HD13 LEU 49 HD13 LEU 49 0.126 -1.441 3.858 391 HD21 LEU 49 HD21 LEU 49 1.764 -3.112 3.451 392 HD22 LEU 49 HD22 LEU 49 0.520 -4.206 4.054 393 HD23 LEU 49 HD23 LEU 49 2.159 -4.294 4.698 394 H HIS 50 H HIS 50 0.104 -2.234 9.057 395 HA HIS 50 HA HIS 50 1.942 -2.850 11.256 396 HB2 HIS 50 HB3 HIS 50 0.006 -1.344 11.700 397 HB3 HIS 50 HB2 HIS 50 -1.077 -2.677 11.307 398 HD1 HIS 50 HD1 HIS 50 -1.869 -3.927 13.279 399 HD2 HIS 50 HD2 HIS 50 1.830 -2.162 13.963 400 HE1 HIS 50 HE1 HIS 50 -1.304 -4.459 15.670 401 HE2 HIS 50 HE2 HIS 50 0.901 -3.312 16.087 402 H TYR 51 H TYR 51 2.200 -4.866 12.058 403 HA TYR 51 HA TYR 51 0.412 -7.011 11.272 404 HB2 TYR 51 HB3 TYR 51 3.245 -6.778 10.316 405 HB3 TYR 51 HB2 TYR 51 2.547 -8.368 10.605 406 HD1 TYR 51 HD2 TYR 51 0.736 -9.207 9.202 407 HD2 TYR 51 HD1 TYR 51 2.484 -5.396 8.478 408 HE1 TYR 51 HE2 TYR 51 -0.307 -9.158 6.975 409 HE2 TYR 51 HE1 TYR 51 1.445 -5.335 6.251 410 HH TYR 51 HH TYR 51 -1.013 -7.407 5.312 411 H LEU 52 H LEU 52 1.580 -9.189 12.146 412 HA LEU 52 HA LEU 52 1.978 -8.658 14.982 413 HB2 LEU 52 HB3 LEU 52 1.813 -11.176 15.147 414 HB3 LEU 52 HB2 LEU 52 0.376 -10.335 14.599 415 HG LEU 52 HG LEU 52 2.112 -11.213 12.410 416 HD11 LEU 52 HD11 LEU 52 0.911 -13.228 14.293 417 HD12 LEU 52 HD12 LEU 52 2.592 -13.093 13.777 418 HD13 LEU 52 HD13 LEU 52 1.354 -13.595 12.626 419 HD21 LEU 52 HD21 LEU 52 -0.438 -10.395 12.636 420 HD22 LEU 52 HD22 LEU 52 -0.671 -12.142 12.688 421 HD23 LEU 52 HD23 LEU 52 0.150 -11.404 11.313 422 H LYS 53 H LYS 53 3.696 -9.928 12.210 423 HA LYS 53 HA LYS 53 5.919 -10.927 13.721 424 HB2 LYS 53 HB3 LYS 53 7.009 -11.123 11.480 425 HB3 LYS 53 HB2 LYS 53 5.455 -11.941 11.595 426 HG2 LYS 53 HG3 LYS 53 4.914 -9.333 10.695 427 HG3 LYS 53 HG2 LYS 53 6.302 -9.910 9.770 428 HD2 LYS 53 HD3 LYS 53 3.879 -11.636 10.151 429 HD3 LYS 53 HD2 LYS 53 3.922 -10.402 8.889 430 HE2 LYS 53 HE3 LYS 53 6.326 -11.667 8.552 431 HE3 LYS 53 HE2 LYS 53 5.272 -12.994 9.040 432 HZ1 LYS 53 HZ1 LYS 53 3.762 -11.692 7.229 433 HZ2 LYS 53 HZ2 LYS 53 4.725 -13.042 6.888 434 HZ3 LYS 53 HZ3 LYS 53 5.312 -11.486 6.584 435 H GLY 54 H GLY 54 5.103 -7.921 12.119 436 HA2 GLY 54 HA3 GLY 54 6.739 -6.280 13.582 437 HA3 GLY 54 HA2 GLY 54 7.747 -6.820 12.249 438 H ILE 55 H ILE 55 7.368 -4.197 12.402 439 HA ILE 55 HA ILE 55 5.120 -3.483 10.674 440 HB ILE 55 HB ILE 55 7.135 -1.589 11.870 441 HG12 ILE 55 HG13 ILE 55 6.148 -2.844 13.704 442 HG13 ILE 55 HG12 ILE 55 5.480 -1.215 13.681 443 HG21 ILE 55 HG21 ILE 55 5.723 -0.774 10.011 444 HG22 ILE 55 HG22 ILE 55 5.430 0.079 11.526 445 HG23 ILE 55 HG23 ILE 55 4.292 -1.150 10.971 446 HD11 ILE 55 HD11 ILE 55 4.150 -3.731 12.712 447 HD12 ILE 55 HD12 ILE 55 3.487 -2.109 12.516 448 HD13 ILE 55 HD13 ILE 55 3.727 -2.774 14.132 449 H GLU 56 H GLU 56 5.387 -2.374 8.710 450 HA GLU 56 HA GLU 56 8.100 -2.376 7.581 451 HB2 GLU 56 HB3 GLU 56 5.629 -3.417 6.182 452 HB3 GLU 56 HB2 GLU 56 7.223 -3.255 5.458 453 HG2 GLU 56 HG3 GLU 56 7.782 -4.766 7.641 454 HG3 GLU 56 HG2 GLU 56 6.157 -5.318 7.240 455 H GLU 57 H GLU 57 8.615 -0.498 6.683 456 HA GLU 57 HA GLU 57 6.436 1.348 5.962 457 HB2 GLU 57 HB3 GLU 57 8.276 1.824 7.833 458 HB3 GLU 57 HB2 GLU 57 9.196 2.357 6.432 459 HG2 GLU 57 HG3 GLU 57 6.994 3.695 5.911 460 HG3 GLU 57 HG2 GLU 57 6.744 3.512 7.646 461 H TYR 58 H TYR 58 6.144 1.099 3.820 462 HA TYR 58 HA TYR 58 8.452 0.856 2.056 463 HB2 TYR 58 HB3 TYR 58 5.503 0.782 1.386 464 HB3 TYR 58 HB2 TYR 58 6.826 0.373 0.300 465 HD1 TYR 58 HD1 TYR 58 5.203 -0.650 3.486 466 HD2 TYR 58 HD2 TYR 58 7.650 -1.816 0.207 467 HE1 TYR 58 HE1 TYR 58 5.095 -2.986 4.244 468 HE2 TYR 58 HE2 TYR 58 7.548 -4.156 0.955 469 HH TYR 58 HH TYR 58 6.179 -5.600 2.304 470 H THR 59 H THR 59 7.956 2.073 -0.176 471 HA THR 59 HA THR 59 7.060 4.805 0.327 472 HB THR 59 HB THR 59 9.821 4.116 -0.697 473 HG1 THR 59 HG1 THR 59 10.450 5.303 1.175 474 HG21 THR 59 HG21 THR 59 9.309 6.901 -0.067 475 HG22 THR 59 HG22 THR 59 8.356 6.319 -1.433 476 HG23 THR 59 HG23 THR 59 10.113 6.179 -1.461 477 H ILE 60 H ILE 60 5.895 5.542 -1.328 478 HA ILE 60 HA ILE 60 5.591 3.962 -3.700 479 HB ILE 60 HB ILE 60 4.486 6.726 -3.207 480 HG12 ILE 60 HG13 ILE 60 3.249 4.055 -2.500 481 HG13 ILE 60 HG12 ILE 60 3.925 5.196 -1.341 482 HG21 ILE 60 HG21 ILE 60 4.115 4.651 -5.255 483 HG22 ILE 60 HG22 ILE 60 3.885 6.397 -5.349 484 HG23 ILE 60 HG23 ILE 60 2.630 5.380 -4.642 485 HD11 ILE 60 HD11 ILE 60 2.167 6.637 -1.533 486 HD12 ILE 60 HD12 ILE 60 1.352 5.101 -1.823 487 HD13 ILE 60 HD13 ILE 60 1.791 6.136 -3.181 488 H LEU 61 H LEU 61 6.787 4.090 -5.471 489 HA LEU 61 HA LEU 61 8.674 6.247 -5.815 490 HB2 LEU 61 HB3 LEU 61 8.096 3.805 -7.490 491 HB3 LEU 61 HB2 LEU 61 9.380 4.952 -7.823 492 HG LEU 61 HG LEU 61 9.151 3.138 -5.422 493 HD11 LEU 61 HD11 LEU 61 11.543 2.625 -6.504 494 HD12 LEU 61 HD12 LEU 61 10.662 3.092 -7.959 495 HD13 LEU 61 HD13 LEU 61 10.074 1.763 -6.960 496 HD21 LEU 61 HD21 LEU 61 10.793 5.554 -5.920 497 HD22 LEU 61 HD22 LEU 61 11.591 4.170 -5.172 498 HD23 LEU 61 HD23 LEU 61 10.175 4.892 -4.406 499 H GLN 62 H GLN 62 5.522 5.462 -6.948 500 HA GLN 62 HA GLN 62 5.156 7.931 -8.222 501 HB2 GLN 62 HB3 GLN 62 6.619 6.262 -9.833 502 HB3 GLN 62 HB2 GLN 62 4.979 5.956 -10.390 503 HG2 GLN 62 HG3 GLN 62 4.749 8.493 -10.548 504 HG3 GLN 62 HG2 GLN 62 6.504 8.534 -10.392 505 HE21 GLN 62 HE22 GLN 62 4.044 8.531 -12.545 506 HE22 GLN 62 HE21 GLN 62 4.865 7.916 -13.935 507 H ILE 63 H ILE 63 3.068 7.978 -9.506 508 HA ILE 63 HA ILE 63 1.200 5.917 -8.533 509 HB ILE 63 HB ILE 63 0.554 8.857 -8.739 510 HG12 ILE 63 HG13 ILE 63 2.206 8.416 -6.949 511 HG13 ILE 63 HG12 ILE 63 0.649 8.926 -6.306 512 HG21 ILE 63 HG21 ILE 63 -1.153 6.767 -8.819 513 HG22 ILE 63 HG22 ILE 63 -1.561 8.352 -8.165 514 HG23 ILE 63 HG23 ILE 63 -1.069 7.051 -7.081 515 HD11 ILE 63 HD11 ILE 63 0.108 6.672 -5.689 516 HD12 ILE 63 HD12 ILE 63 1.693 7.088 -5.038 517 HD13 ILE 63 HD13 ILE 63 1.570 6.068 -6.472 518 HA PRO 64 HA PRO 64 0.689 6.164 -13.084 519 HB2 PRO 64 HB2 PRO 64 0.034 3.568 -13.426 520 HB3 PRO 64 HB3 PRO 64 1.710 4.107 -13.265 521 HG2 PRO 64 HG3 PRO 64 -0.100 2.909 -11.201 522 HG3 PRO 64 HG2 PRO 64 1.603 2.549 -11.537 523 HD2 PRO 64 HD3 PRO 64 0.813 4.169 -9.506 524 HD3 PRO 64 HD2 PRO 64 2.351 4.385 -10.365 525 H ALA 65 H ALA 65 -1.392 5.420 -10.480 526 HA ALA 65 HA ALA 65 -3.646 5.523 -10.204 527 HB1 ALA 65 HB1 ALA 65 -4.874 6.728 -12.191 528 HB2 ALA 65 HB2 ALA 65 -3.228 7.137 -12.672 529 HB3 ALA 65 HB3 ALA 65 -3.832 7.629 -11.089 530 H LEU 66 H LEU 66 -2.912 3.086 -10.859 531 HA LEU 66 HA LEU 66 -4.707 2.220 -13.028 532 HB2 LEU 66 HB3 LEU 66 -2.595 0.487 -11.789 533 HB3 LEU 66 HB2 LEU 66 -3.359 0.332 -13.360 534 HG LEU 66 HG LEU 66 -1.555 2.647 -12.701 535 HD11 LEU 66 HD11 LEU 66 -0.860 -0.153 -13.403 536 HD12 LEU 66 HD12 LEU 66 0.006 1.014 -12.404 537 HD13 LEU 66 HD13 LEU 66 0.060 1.147 -14.162 538 HD21 LEU 66 HD21 LEU 66 -2.299 1.361 -15.325 539 HD22 LEU 66 HD22 LEU 66 -1.355 2.833 -15.093 540 HD23 LEU 66 HD23 LEU 66 -3.064 2.803 -14.660 541 H LYS 67 H LYS 67 -5.502 -0.136 -12.608 542 HA LYS 67 HA LYS 67 -6.584 -0.216 -9.869 543 HB2 LYS 67 HB3 LYS 67 -7.999 -0.012 -12.193 544 HB3 LYS 67 HB2 LYS 67 -7.995 -1.752 -11.945 545 HG2 LYS 67 HG3 LYS 67 -8.646 -0.168 -9.562 546 HG3 LYS 67 HG2 LYS 67 -9.810 -0.050 -10.884 547 HD2 LYS 67 HD3 LYS 67 -10.510 -2.174 -10.619 548 HD3 LYS 67 HD2 LYS 67 -8.881 -2.775 -10.303 549 HE2 LYS 67 HE3 LYS 67 -10.086 -3.104 -8.303 550 HE3 LYS 67 HE2 LYS 67 -9.068 -1.692 -8.024 551 HZ1 LYS 67 HZ1 LYS 67 -11.974 -1.868 -8.288 552 HZ2 LYS 67 HZ2 LYS 67 -11.221 -0.473 -8.880 553 HZ3 LYS 67 HZ3 LYS 67 -11.039 -0.907 -7.256 554 H ASN 68 H ASN 68 -4.231 -1.599 -11.554 555 HA ASN 68 HA ASN 68 -4.011 -3.860 -9.911 556 HB2 ASN 68 HB3 ASN 68 -5.572 -4.230 -12.352 557 HB3 ASN 68 HB2 ASN 68 -4.202 -5.329 -12.253 558 HD21 ASN 68 HD22 ASN 68 -6.039 -6.874 -12.176 559 HD22 ASN 68 HD21 ASN 68 -6.682 -7.274 -10.624 560 H VAL 69 H VAL 69 -1.878 -3.791 -9.682 561 HA VAL 69 HA VAL 69 -0.206 -3.275 -12.040 562 HB VAL 69 HB VAL 69 0.653 -3.208 -9.148 563 HG11 VAL 69 HG11 VAL 69 2.681 -2.480 -9.858 564 HG12 VAL 69 HG12 VAL 69 2.017 -1.666 -11.275 565 HG13 VAL 69 HG13 VAL 69 2.238 -3.416 -11.286 566 HG21 VAL 69 HG21 VAL 69 0.629 -0.619 -9.869 567 HG22 VAL 69 HG22 VAL 69 -0.718 -1.413 -9.054 568 HG23 VAL 69 HG23 VAL 69 -0.745 -1.206 -10.805 569 HA PRO 70 HA PRO 70 0.734 -7.659 -12.154 570 HB2 PRO 70 HB2 PRO 70 3.126 -6.620 -13.597 571 HB3 PRO 70 HB3 PRO 70 1.995 -7.895 -14.065 572 HG2 PRO 70 HG3 PRO 70 1.886 -5.502 -15.220 573 HG3 PRO 70 HG2 PRO 70 0.402 -6.388 -14.822 574 HD2 PRO 70 HD3 PRO 70 1.650 -4.055 -13.436 575 HD3 PRO 70 HD2 PRO 70 -0.067 -4.433 -13.689 576 H ARG 71 H ARG 71 2.592 -9.055 -11.579 577 HA ARG 71 HA ARG 71 3.783 -8.171 -9.136 578 HB2 ARG 71 HB3 ARG 71 3.052 -10.593 -10.056 579 HB3 ARG 71 HB2 ARG 71 4.771 -10.651 -10.423 580 HG2 ARG 71 HG3 ARG 71 4.156 -9.690 -7.729 581 HG3 ARG 71 HG2 ARG 71 3.646 -11.349 -8.047 582 HD2 ARG 71 HD3 ARG 71 6.407 -10.346 -8.693 583 HD3 ARG 71 HD2 ARG 71 5.990 -11.032 -7.123 584 HE ARG 71 HE ARG 71 5.157 -12.929 -8.856 585 HH11 ARG 71 HH11 ARG 71 8.182 -11.235 -8.462 586 HH12 ARG 71 HH12 ARG 71 9.140 -12.551 -9.051 587 HH21 ARG 71 HH22 ARG 71 6.415 -14.662 -9.630 588 HH22 ARG 71 HH21 ARG 71 8.137 -14.498 -9.714 589 H LYS 72 H LYS 72 4.724 -7.990 -12.402 590 HA LYS 72 HA LYS 72 7.573 -7.938 -11.821 591 HB2 LYS 72 HB3 LYS 72 5.932 -7.805 -14.329 592 HB3 LYS 72 HB2 LYS 72 7.623 -7.323 -14.349 593 HG2 LYS 72 HG3 LYS 72 8.365 -9.437 -14.188 594 HG3 LYS 72 HG2 LYS 72 7.074 -9.919 -13.085 595 HD2 LYS 72 HD3 LYS 72 6.275 -9.308 -15.865 596 HD3 LYS 72 HD2 LYS 72 7.239 -10.767 -15.628 597 HE2 LYS 72 HE3 LYS 72 5.634 -11.750 -14.255 598 HE3 LYS 72 HE2 LYS 72 4.851 -10.209 -13.907 599 HZ1 LYS 72 HZ1 LYS 72 4.278 -10.192 -16.369 600 HZ2 LYS 72 HZ2 LYS 72 3.432 -11.281 -15.390 601 HZ3 LYS 72 HZ3 LYS 72 4.694 -11.831 -16.372 602 H ASP 73 H ASP 73 4.933 -5.741 -12.414 603 HA ASP 73 HA ASP 73 6.742 -3.460 -12.632 604 HB2 ASP 73 HB3 ASP 73 3.780 -3.813 -13.016 605 HB3 ASP 73 HB2 ASP 73 4.496 -2.211 -12.874 606 H THR 74 H THR 74 4.744 -5.060 -10.320 607 HA THR 74 HA THR 74 4.131 -2.979 -8.571 608 HB THR 74 HB THR 74 3.199 -5.255 -8.398 609 HG1 THR 74 HG1 THR 74 3.325 -5.367 -6.112 610 HG21 THR 74 HG21 THR 74 5.712 -6.114 -7.020 611 HG22 THR 74 HG22 THR 74 5.453 -6.401 -8.742 612 HG23 THR 74 HG23 THR 74 4.346 -7.093 -7.555 613 H HIS 75 H HIS 75 7.166 -4.440 -9.267 614 HA HIS 75 HA HIS 75 8.388 -3.537 -6.789 615 HB2 HIS 75 HB3 HIS 75 9.493 -4.993 -9.193 616 HB3 HIS 75 HB2 HIS 75 10.478 -4.502 -7.818 617 HD1 HIS 75 HD1 HIS 75 8.694 -5.319 -5.493 618 HD2 HIS 75 HD2 HIS 75 9.292 -7.678 -8.861 619 HE1 HIS 75 HE1 HIS 75 8.179 -7.670 -4.766 620 HE2 HIS 75 HE2 HIS 75 8.456 -9.066 -6.846 621 H LEU 76 H LEU 76 7.334 -1.772 -9.138 622 HA LEU 76 HA LEU 76 9.733 -0.071 -9.249 623 HB2 LEU 76 HB3 LEU 76 8.082 -1.118 -11.427 624 HB3 LEU 76 HB2 LEU 76 8.310 0.619 -11.500 625 HG LEU 76 HG LEU 76 10.699 -1.129 -11.112 626 HD11 LEU 76 HD11 LEU 76 10.756 -0.897 -13.757 627 HD12 LEU 76 HD12 LEU 76 9.008 -0.975 -13.541 628 HD13 LEU 76 HD13 LEU 76 10.029 -2.286 -12.948 629 HD21 LEU 76 HD21 LEU 76 11.876 0.675 -11.868 630 HD22 LEU 76 HD22 LEU 76 10.494 1.504 -11.152 631 HD23 LEU 76 HD23 LEU 76 10.561 1.244 -12.895 632 H TYR 77 H TYR 77 6.740 -0.309 -7.983 633 HA TYR 77 HA TYR 77 6.237 2.585 -8.206 634 HB2 TYR 77 HB3 TYR 77 4.288 0.311 -7.814 635 HB3 TYR 77 HB2 TYR 77 3.855 2.007 -7.629 636 HD1 TYR 77 HD2 TYR 77 4.599 3.511 -9.726 637 HD2 TYR 77 HD1 TYR 77 3.835 -0.672 -9.846 638 HE1 TYR 77 HE2 TYR 77 4.164 3.666 -12.141 639 HE2 TYR 77 HE1 TYR 77 3.399 -0.530 -12.262 640 HH TYR 77 HH TYR 77 3.027 2.468 -13.888 641 H ILE 78 H ILE 78 6.844 -0.063 -6.083 642 HA ILE 78 HA ILE 78 6.960 1.763 -3.830 643 HB ILE 78 HB ILE 78 4.655 0.936 -3.725 644 HG12 ILE 78 HG13 ILE 78 6.415 -0.281 -1.583 645 HG13 ILE 78 HG12 ILE 78 5.902 1.402 -1.639 646 HG21 ILE 78 HG21 ILE 78 5.092 -1.207 -4.900 647 HG22 ILE 78 HG22 ILE 78 4.130 -1.385 -3.433 648 HG23 ILE 78 HG23 ILE 78 5.840 -1.817 -3.424 649 HD11 ILE 78 HD11 ILE 78 4.651 -0.408 -0.179 650 HD12 ILE 78 HD12 ILE 78 3.794 -0.676 -1.697 651 HD13 ILE 78 HD13 ILE 78 3.793 0.923 -0.955 652 H ALA 79 H ALA 79 8.521 1.224 -2.385 653 HA ALA 79 HA ALA 79 9.657 -1.465 -2.441 654 HB1 ALA 79 HB1 ALA 79 10.935 -0.183 -4.098 655 HB2 ALA 79 HB2 ALA 79 11.928 -0.654 -2.719 656 HB3 ALA 79 HB3 ALA 79 11.339 1.003 -2.856 657 HA PRO 80 HA PRO 80 9.709 -0.887 1.956 658 HB2 PRO 80 HB2 PRO 80 12.124 -2.613 1.890 659 HB3 PRO 80 HB3 PRO 80 10.618 -2.818 2.791 660 HG2 PRO 80 HG3 PRO 80 11.148 -4.323 0.655 661 HG3 PRO 80 HG2 PRO 80 9.505 -3.741 0.982 662 HD2 PRO 80 HD3 PRO 80 11.510 -2.752 -1.003 663 HD3 PRO 80 HD2 PRO 80 9.749 -2.914 -1.161 664 H LYS 81 H LYS 81 10.363 1.105 2.553 665 HA LYS 81 HA LYS 81 13.184 1.834 2.203 666 HB2 LYS 81 HB3 LYS 81 11.521 3.401 1.294 667 HB3 LYS 81 HB2 LYS 81 10.804 3.566 2.890 668 HG2 LYS 81 HG3 LYS 81 12.210 5.201 3.372 669 HG3 LYS 81 HG2 LYS 81 13.580 4.121 3.109 670 HD2 LYS 81 HD3 LYS 81 14.053 5.027 1.114 671 HD3 LYS 81 HD2 LYS 81 12.356 5.073 0.632 672 HE2 LYS 81 HE3 LYS 81 12.199 7.040 2.319 673 HE3 LYS 81 HE2 LYS 81 13.953 7.099 2.149 674 HZ1 LYS 81 HZ1 LYS 81 12.016 7.286 -0.095 675 HZ2 LYS 81 HZ2 LYS 81 13.700 7.416 -0.215 676 HZ3 LYS 81 HZ3 LYS 81 12.816 8.599 0.610 677 H THR 82 H THR 82 14.451 2.526 3.918 678 HA THR 82 HA THR 82 13.350 2.581 6.597 679 HB THR 82 HB THR 82 13.747 0.271 6.579 680 HG1 THR 82 HG1 THR 82 14.931 0.335 8.289 681 HG21 THR 82 HG21 THR 82 16.460 -0.057 5.853 682 HG22 THR 82 HG22 THR 82 15.653 0.830 4.560 683 HG23 THR 82 HG23 THR 82 15.023 -0.732 5.085 684 H LYS 83 H LYS 83 14.807 3.449 8.165 685 HA LYS 83 HA LYS 83 17.323 4.544 7.179 686 HB2 LYS 83 HB3 LYS 83 14.979 6.188 8.097 687 HB3 LYS 83 HB2 LYS 83 16.624 6.788 8.263 688 HG2 LYS 83 HG3 LYS 83 15.750 5.777 5.608 689 HG3 LYS 83 HG2 LYS 83 15.162 7.349 6.154 690 HD2 LYS 83 HD3 LYS 83 17.591 7.920 6.635 691 HD3 LYS 83 HD2 LYS 83 18.006 6.468 5.723 692 HE2 LYS 83 HE3 LYS 83 17.091 7.329 3.734 693 HE3 LYS 83 HE2 LYS 83 16.230 8.608 4.588 694 HZ1 LYS 83 HZ1 LYS 83 18.807 9.093 5.231 695 HZ2 LYS 83 HZ2 LYS 83 17.956 9.866 3.990 696 HZ3 LYS 83 HZ3 LYS 83 18.947 8.542 3.638 697 H GLU 84 H GLU 84 16.597 2.500 9.110 698 HA GLU 84 HA GLU 84 17.943 3.655 11.447 699 HB2 GLU 84 HB3 GLU 84 15.446 1.957 11.499 700 HB3 GLU 84 HB2 GLU 84 16.450 2.248 12.912 701 HG2 GLU 84 HG3 GLU 84 16.074 4.749 12.353 702 HG3 GLU 84 HG2 GLU 84 14.717 4.151 11.401 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -3.842 7.524 -7.291 2 H2 MET 1 H2 MET 1 -3.143 7.864 -5.764 3 H3 MET 1 H3 MET 1 -4.683 8.506 -6.162 4 HA MET 1 HA MET 1 -5.664 6.403 -6.150 5 HB2 MET 1 HB3 MET 1 -3.140 5.554 -6.866 6 HB3 MET 1 HB2 MET 1 -3.298 4.938 -5.227 7 HG2 MET 1 HG3 MET 1 -5.429 3.867 -5.883 8 HG3 MET 1 HG2 MET 1 -5.150 4.406 -7.537 9 HE1 MET 1 HE1 MET 1 -3.313 3.168 -9.217 10 HE2 MET 1 HE2 MET 1 -1.864 2.508 -8.457 11 HE3 MET 1 HE3 MET 1 -2.341 4.178 -8.146 12 H ARG 2 H ARG 2 -5.224 4.649 -4.069 13 HA ARG 2 HA ARG 2 -4.764 6.315 -1.703 14 HB2 ARG 2 HB3 ARG 2 -7.205 4.564 -2.012 15 HB3 ARG 2 HB2 ARG 2 -6.824 5.621 -0.660 16 HG2 ARG 2 HG3 ARG 2 -7.290 7.552 -1.878 17 HG3 ARG 2 HG2 ARG 2 -7.176 6.712 -3.427 18 HD2 ARG 2 HD3 ARG 2 -9.200 5.414 -2.807 19 HD3 ARG 2 HD2 ARG 2 -9.338 6.394 -1.349 20 HE ARG 2 HE ARG 2 -9.279 8.243 -3.312 21 HH11 ARG 2 HH11 ARG 2 -11.191 5.364 -2.825 22 HH12 ARG 2 HH12 ARG 2 -12.568 5.985 -3.672 23 HH21 ARG 2 HH22 ARG 2 -11.089 9.061 -4.426 24 HH22 ARG 2 HH21 ARG 2 -12.510 8.083 -4.582 25 H ILE 3 H ILE 3 -4.144 5.195 0.148 26 HA ILE 3 HA ILE 3 -2.498 3.026 -0.077 27 HB ILE 3 HB ILE 3 -2.614 4.464 1.904 28 HG12 ILE 3 HG13 ILE 3 -1.638 2.080 1.854 29 HG13 ILE 3 HG12 ILE 3 -1.896 2.835 3.418 30 HG21 ILE 3 HG21 ILE 3 -4.553 3.208 3.496 31 HG22 ILE 3 HG22 ILE 3 -5.336 3.573 1.960 32 HG23 ILE 3 HG23 ILE 3 -4.560 4.860 2.881 33 HD11 ILE 3 HD11 ILE 3 -2.908 0.369 2.418 34 HD12 ILE 3 HD12 ILE 3 -4.258 1.434 2.801 35 HD13 ILE 3 HD13 ILE 3 -3.055 1.058 4.034 36 H ASP 4 H ASP 4 -5.973 3.007 0.169 37 HA ASP 4 HA ASP 4 -6.293 0.307 0.935 38 HB2 ASP 4 HB3 ASP 4 -7.999 2.496 0.060 39 HB3 ASP 4 HB2 ASP 4 -8.534 0.950 -0.591 40 H LYS 5 H LYS 5 -6.577 1.840 -2.279 41 HA LYS 5 HA LYS 5 -6.494 -0.780 -3.539 42 HB2 LYS 5 HB3 LYS 5 -7.913 1.404 -4.158 43 HB3 LYS 5 HB2 LYS 5 -6.509 1.693 -5.177 44 HG2 LYS 5 HG3 LYS 5 -7.338 0.312 -6.690 45 HG3 LYS 5 HG2 LYS 5 -7.250 -1.011 -5.525 46 HD2 LYS 5 HD3 LYS 5 -9.464 -0.933 -5.078 47 HD3 LYS 5 HD2 LYS 5 -9.532 0.826 -5.197 48 HE2 LYS 5 HE3 LYS 5 -10.728 0.284 -7.059 49 HE3 LYS 5 HE2 LYS 5 -9.109 0.305 -7.755 50 HZ1 LYS 5 HZ1 LYS 5 -8.991 -2.045 -7.642 51 HZ2 LYS 5 HZ2 LYS 5 -10.484 -1.670 -8.343 52 HZ3 LYS 5 HZ3 LYS 5 -10.408 -2.154 -6.725 53 H PHE 6 H PHE 6 -4.178 1.395 -2.518 54 HA PHE 6 HA PHE 6 -2.434 1.266 -4.786 55 HB2 PHE 6 HB3 PHE 6 -2.532 3.048 -2.887 56 HB3 PHE 6 HB2 PHE 6 -1.467 1.936 -2.033 57 HD1 PHE 6 HD1 PHE 6 -1.808 3.662 -5.314 58 HD2 PHE 6 HD2 PHE 6 0.812 2.101 -2.347 59 HE1 PHE 6 HE1 PHE 6 0.117 4.577 -6.541 60 HE2 PHE 6 HE2 PHE 6 2.744 3.014 -3.569 61 HZ PHE 6 HZ PHE 6 2.397 4.254 -5.668 62 H LEU 7 H LEU 7 -1.927 0.023 -1.469 63 HA LEU 7 HA LEU 7 0.069 -1.805 -2.447 64 HB2 LEU 7 HB3 LEU 7 0.318 -2.462 -0.102 65 HB3 LEU 7 HB2 LEU 7 0.422 -0.728 -0.327 66 HG LEU 7 HG LEU 7 -2.102 -0.749 0.335 67 HD11 LEU 7 HD11 LEU 7 -2.992 -2.648 1.065 68 HD12 LEU 7 HD12 LEU 7 -1.651 -2.909 2.178 69 HD13 LEU 7 HD13 LEU 7 -1.541 -3.487 0.516 70 HD21 LEU 7 HD21 LEU 7 0.272 -1.059 2.138 71 HD22 LEU 7 HD22 LEU 7 -1.345 -0.793 2.792 72 HD23 LEU 7 HD23 LEU 7 -0.621 0.402 1.715 73 H GLN 8 H GLN 8 -3.293 -1.940 -2.072 74 HA GLN 8 HA GLN 8 -3.363 -4.817 -1.651 75 HB2 GLN 8 HB3 GLN 8 -5.619 -2.867 -2.121 76 HB3 GLN 8 HB2 GLN 8 -5.795 -4.546 -1.632 77 HG2 GLN 8 HG3 GLN 8 -4.495 -3.982 0.434 78 HG3 GLN 8 HG2 GLN 8 -4.604 -2.289 -0.044 79 HE21 GLN 8 HE22 GLN 8 -6.813 -5.068 0.130 80 HE22 GLN 8 HE21 GLN 8 -8.071 -4.230 0.966 81 H SER 9 H SER 9 -3.214 -2.639 -4.252 82 HA SER 9 HA SER 9 -4.483 -4.480 -6.133 83 HB2 SER 9 HB3 SER 9 -5.059 -2.143 -6.410 84 HB3 SER 9 HB2 SER 9 -3.355 -1.695 -6.498 85 HG SER 9 HG SER 9 -4.954 -3.013 -8.390 86 H VAL 10 H VAL 10 -1.345 -2.963 -5.498 87 HA VAL 10 HA VAL 10 0.085 -3.987 -7.650 88 HB VAL 10 HB VAL 10 2.105 -3.737 -6.235 89 HG11 VAL 10 HG11 VAL 10 1.757 -1.720 -7.189 90 HG12 VAL 10 HG12 VAL 10 1.390 -1.241 -5.532 91 HG13 VAL 10 HG13 VAL 10 0.081 -1.633 -6.646 92 HG21 VAL 10 HG21 VAL 10 1.150 -4.485 -4.116 93 HG22 VAL 10 HG22 VAL 10 0.128 -3.048 -4.063 94 HG23 VAL 10 HG23 VAL 10 1.881 -2.889 -3.954 95 H GLY 11 H GLY 11 -1.089 -5.582 -4.813 96 HA2 GLY 11 HA3 GLY 11 -1.305 -7.972 -4.800 97 HA3 GLY 11 HA2 GLY 11 0.167 -8.071 -5.755 98 H LEU 12 H LEU 12 -0.044 -5.927 -3.025 99 HA LEU 12 HA LEU 12 2.154 -7.282 -1.753 100 HB2 LEU 12 HB3 LEU 12 1.127 -4.670 -1.772 101 HB3 LEU 12 HB2 LEU 12 0.935 -5.234 -0.123 102 HG LEU 12 HG LEU 12 3.551 -5.345 -1.621 103 HD11 LEU 12 HD11 LEU 12 4.193 -3.321 -0.674 104 HD12 LEU 12 HD12 LEU 12 2.872 -3.335 0.493 105 HD13 LEU 12 HD13 LEU 12 2.541 -3.018 -1.209 106 HD21 LEU 12 HD21 LEU 12 4.475 -6.183 0.258 107 HD22 LEU 12 HD22 LEU 12 2.830 -6.740 0.566 108 HD23 LEU 12 HD23 LEU 12 3.415 -5.258 1.322 109 H VAL 13 H VAL 13 -1.246 -6.618 -0.956 110 HA VAL 13 HA VAL 13 -1.037 -8.512 1.283 111 HB VAL 13 HB VAL 13 -3.237 -7.609 1.999 112 HG11 VAL 13 HG11 VAL 13 -1.319 -6.691 3.049 113 HG12 VAL 13 HG12 VAL 13 -2.365 -5.333 2.636 114 HG13 VAL 13 HG13 VAL 13 -0.948 -5.687 1.647 115 HG21 VAL 13 HG21 VAL 13 -4.427 -6.087 0.832 116 HG22 VAL 13 HG22 VAL 13 -3.532 -6.750 -0.536 117 HG23 VAL 13 HG23 VAL 13 -2.988 -5.261 0.236 118 H LYS 14 H LYS 14 -2.751 -10.066 1.607 119 HA LYS 14 HA LYS 14 -4.231 -10.778 -0.830 120 HB2 LYS 14 HB3 LYS 14 -3.718 -13.202 -0.275 121 HB3 LYS 14 HB2 LYS 14 -2.384 -12.255 -0.919 122 HG2 LYS 14 HG3 LYS 14 -1.773 -11.862 1.561 123 HG3 LYS 14 HG2 LYS 14 -2.819 -13.252 1.863 124 HD2 LYS 14 HD3 LYS 14 -1.350 -14.712 0.970 125 HD3 LYS 14 HD2 LYS 14 -0.869 -13.599 -0.312 126 HE2 LYS 14 HE3 LYS 14 -0.030 -13.215 2.549 127 HE3 LYS 14 HE2 LYS 14 0.895 -14.209 1.424 128 HZ1 LYS 14 HZ1 LYS 14 0.604 -11.989 -0.007 129 HZ2 LYS 14 HZ2 LYS 14 1.917 -12.261 1.024 130 HZ3 LYS 14 HZ3 LYS 14 0.611 -11.321 1.546 131 H ARG 15 H ARG 15 -5.161 -9.432 1.507 132 HA ARG 15 HA ARG 15 -7.069 -11.443 2.497 133 HB2 ARG 15 HB3 ARG 15 -5.749 -9.240 4.091 134 HB3 ARG 15 HB2 ARG 15 -7.091 -10.216 4.671 135 HG2 ARG 15 HG3 ARG 15 -4.636 -11.591 3.707 136 HG3 ARG 15 HG2 ARG 15 -4.615 -10.808 5.288 137 HD2 ARG 15 HD3 ARG 15 -7.031 -12.302 5.037 138 HD3 ARG 15 HD2 ARG 15 -5.678 -13.339 4.586 139 HE ARG 15 HE ARG 15 -6.289 -12.326 7.205 140 HH11 ARG 15 HH11 ARG 15 -3.764 -13.541 5.126 141 HH12 ARG 15 HH12 ARG 15 -2.760 -14.060 6.438 142 HH21 ARG 15 HH22 ARG 15 -4.969 -13.006 8.933 143 HH22 ARG 15 HH21 ARG 15 -3.444 -13.755 8.600 144 H ARG 16 H ARG 16 -8.675 -10.821 1.073 145 HA ARG 16 HA ARG 16 -9.831 -8.167 1.594 146 HB2 ARG 16 HB3 ARG 16 -8.649 -8.878 -0.795 147 HB3 ARG 16 HB2 ARG 16 -10.350 -9.203 -1.096 148 HG2 ARG 16 HG3 ARG 16 -9.855 -6.636 0.209 149 HG3 ARG 16 HG2 ARG 16 -9.122 -6.786 -1.389 150 HD2 ARG 16 HD3 ARG 16 -11.315 -7.492 -2.288 151 HD3 ARG 16 HD2 ARG 16 -12.024 -7.233 -0.694 152 HE ARG 16 HE ARG 16 -12.064 -4.991 -1.126 153 HH11 ARG 16 HH11 ARG 16 -9.847 -6.509 -3.354 154 HH12 ARG 16 HH12 ARG 16 -9.592 -5.067 -4.277 155 HH21 ARG 16 HH22 ARG 16 -11.730 -3.093 -2.340 156 HH22 ARG 16 HH21 ARG 16 -10.660 -3.127 -3.702 157 H VAL 17 H VAL 17 -11.656 -8.554 2.666 158 HA VAL 17 HA VAL 17 -13.203 -10.960 2.131 159 HB VAL 17 HB VAL 17 -13.807 -8.789 4.138 160 HG11 VAL 17 HG11 VAL 17 -15.437 -10.758 3.292 161 HG12 VAL 17 HG12 VAL 17 -15.465 -10.099 4.927 162 HG13 VAL 17 HG13 VAL 17 -14.589 -11.593 4.593 163 HG21 VAL 17 HG21 VAL 17 -11.524 -9.898 4.364 164 HG22 VAL 17 HG22 VAL 17 -12.405 -11.378 4.739 165 HG23 VAL 17 HG23 VAL 17 -12.585 -9.959 5.771 166 H LEU 18 H LEU 18 -14.127 -7.545 2.614 167 HA LEU 18 HA LEU 18 -15.967 -7.814 0.332 168 HB2 LEU 18 HB3 LEU 18 -16.783 -7.685 2.949 169 HB3 LEU 18 HB2 LEU 18 -16.866 -6.004 2.457 170 HG LEU 18 HG LEU 18 -18.265 -8.302 1.084 171 HD11 LEU 18 HD11 LEU 18 -19.332 -7.904 3.166 172 HD12 LEU 18 HD12 LEU 18 -20.309 -7.115 1.928 173 HD13 LEU 18 HD13 LEU 18 -19.242 -6.155 2.953 174 HD21 LEU 18 HD21 LEU 18 -19.012 -6.866 -0.509 175 HD22 LEU 18 HD22 LEU 18 -17.465 -6.092 -0.163 176 HD23 LEU 18 HD23 LEU 18 -18.947 -5.467 0.562 177 H ALA 19 H ALA 19 -15.002 -5.229 2.596 178 HA ALA 19 HA ALA 19 -14.420 -3.539 0.256 179 HB1 ALA 19 HB1 ALA 19 -14.669 -1.650 1.962 180 HB2 ALA 19 HB2 ALA 19 -15.379 -2.869 3.021 181 HB3 ALA 19 HB3 ALA 19 -16.133 -2.502 1.469 182 H THR 20 H THR 20 -13.411 -3.248 3.646 183 HA THR 20 HA THR 20 -10.632 -3.711 2.914 184 HB THR 20 HB THR 20 -10.642 -1.403 2.488 185 HG1 THR 20 HG1 THR 20 -9.337 -0.608 4.066 186 HG21 THR 20 HG21 THR 20 -11.829 0.243 3.533 187 HG22 THR 20 HG22 THR 20 -11.920 -0.635 5.059 188 HG23 THR 20 HG23 THR 20 -12.937 -1.118 3.701 189 H ASP 21 H ASP 21 -9.212 -3.414 4.954 190 HA ASP 21 HA ASP 21 -10.590 -3.950 7.449 191 HB2 ASP 21 HB3 ASP 21 -8.845 -6.001 6.085 192 HB3 ASP 21 HB2 ASP 21 -9.202 -6.046 7.809 193 H MET 22 H MET 22 -7.492 -3.775 5.739 194 HA MET 22 HA MET 22 -5.718 -3.520 7.803 195 HB2 MET 22 HB3 MET 22 -5.835 -2.378 5.053 196 HB3 MET 22 HB2 MET 22 -4.602 -1.767 6.149 197 HG2 MET 22 HG3 MET 22 -4.058 -4.267 6.535 198 HG3 MET 22 HG2 MET 22 -4.944 -4.515 5.032 199 HE1 MET 22 HE1 MET 22 -2.395 -5.676 4.893 200 HE2 MET 22 HE2 MET 22 -1.470 -4.695 6.029 201 HE3 MET 22 HE3 MET 22 -0.999 -4.757 4.330 202 H CYS 23 H CYS 23 -7.879 -1.040 6.527 203 HA CYS 23 HA CYS 23 -6.823 1.140 7.965 204 HB2 CYS 23 HB3 CYS 23 -8.920 2.269 7.458 205 HB3 CYS 23 HB2 CYS 23 -8.359 1.380 6.047 206 HG CYS 23 HG CYS 23 -10.327 -0.318 7.505 207 H ASN 24 H ASN 24 -8.914 -1.466 8.896 208 HA ASN 24 HA ASN 24 -9.787 -0.144 11.325 209 HB2 ASN 24 HB3 ASN 24 -10.898 -2.103 9.748 210 HB3 ASN 24 HB2 ASN 24 -10.278 -3.029 11.112 211 HD21 ASN 24 HD22 ASN 24 -10.875 -2.203 13.278 212 HD22 ASN 24 HD21 ASN 24 -12.460 -1.549 13.483 213 H VAL 25 H VAL 25 -7.919 -3.074 10.521 214 HA VAL 25 HA VAL 25 -7.135 -3.725 13.113 215 HB VAL 25 HB VAL 25 -5.305 -5.006 12.102 216 HG11 VAL 25 HG11 VAL 25 -7.457 -5.504 10.153 217 HG12 VAL 25 HG12 VAL 25 -7.948 -5.480 11.846 218 HG13 VAL 25 HG13 VAL 25 -6.693 -6.596 11.308 219 HG21 VAL 25 HG21 VAL 25 -4.340 -3.883 10.378 220 HG22 VAL 25 HG22 VAL 25 -5.870 -3.219 9.807 221 HG23 VAL 25 HG23 VAL 25 -5.444 -4.890 9.440 222 H GLY 26 H GLY 26 -5.861 -1.351 10.889 223 HA2 GLY 26 HA3 GLY 26 -4.722 0.572 11.842 224 HA3 GLY 26 HA2 GLY 26 -3.958 -0.521 12.986 225 H ALA 27 H ALA 27 -4.271 -1.376 9.626 226 HA ALA 27 HA ALA 27 -1.354 -1.294 9.383 227 HB1 ALA 27 HB1 ALA 27 -2.990 -3.316 8.824 228 HB2 ALA 27 HB2 ALA 27 -1.492 -3.043 7.935 229 HB3 ALA 27 HB3 ALA 27 -3.028 -2.506 7.258 230 H VAL 28 H VAL 28 -3.013 1.117 9.191 231 HA VAL 28 HA VAL 28 -2.187 1.951 6.496 232 HB VAL 28 HB VAL 28 -4.766 2.826 7.804 233 HG11 VAL 28 HG11 VAL 28 -3.469 3.420 5.161 234 HG12 VAL 28 HG12 VAL 28 -4.028 4.551 6.392 235 HG13 VAL 28 HG13 VAL 28 -5.197 3.646 5.431 236 HG21 VAL 28 HG21 VAL 28 -4.843 0.458 7.136 237 HG22 VAL 28 HG22 VAL 28 -4.379 0.919 5.499 238 HG23 VAL 28 HG23 VAL 28 -5.919 1.461 6.164 239 H TRP 29 H TRP 29 -0.563 3.309 6.884 240 HA TRP 29 HA TRP 29 -1.068 5.632 8.573 241 HB2 TRP 29 HB3 TRP 29 1.091 3.612 9.017 242 HB3 TRP 29 HB2 TRP 29 1.404 5.300 9.398 243 HD1 TRP 29 HD1 TRP 29 -1.344 2.680 10.257 244 HE1 TRP 29 HE1 TRP 29 -2.017 3.028 12.716 245 HE3 TRP 29 HE3 TRP 29 1.640 6.682 11.357 246 HZ2 TRP 29 HZ2 TRP 29 -1.369 4.769 14.841 247 HZ3 TRP 29 HZ3 TRP 29 1.555 7.629 13.626 248 HH2 TRP 29 HH2 TRP 29 0.080 6.691 15.332 249 H LEU 30 H LEU 30 -1.014 7.052 6.926 250 HA LEU 30 HA LEU 30 1.051 6.926 4.900 251 HB2 LEU 30 HB3 LEU 30 -1.307 7.557 4.388 252 HB3 LEU 30 HB2 LEU 30 -1.077 9.024 5.320 253 HG LEU 30 HG LEU 30 0.832 8.510 3.102 254 HD11 LEU 30 HD11 LEU 30 -1.726 8.095 2.469 255 HD12 LEU 30 HD12 LEU 30 -0.588 8.887 1.380 256 HD13 LEU 30 HD13 LEU 30 -1.692 9.855 2.356 257 HD21 LEU 30 HD21 LEU 30 -0.515 11.100 3.502 258 HD22 LEU 30 HD22 LEU 30 1.186 10.734 3.218 259 HD23 LEU 30 HD23 LEU 30 0.500 10.544 4.832 260 H ASN 31 H ASN 31 3.010 7.685 5.327 261 HA ASN 31 HA ASN 31 4.715 8.976 6.102 262 HB2 ASN 31 HB3 ASN 31 2.519 10.965 5.653 263 HB3 ASN 31 HB2 ASN 31 4.031 11.491 6.388 264 HD21 ASN 31 HD22 ASN 31 3.328 12.599 4.060 265 HD22 ASN 31 HD21 ASN 31 4.320 12.014 2.772 266 H GLY 32 H GLY 32 3.184 7.545 8.052 267 HA2 GLY 32 HA3 GLY 32 3.313 7.340 10.353 268 HA3 GLY 32 HA2 GLY 32 4.108 8.907 10.408 269 H SER 33 H SER 33 0.891 7.710 9.436 270 HA SER 33 HA SER 33 -0.430 9.117 11.537 271 HB2 SER 33 HB3 SER 33 0.223 10.785 9.515 272 HB3 SER 33 HB2 SER 33 -1.326 10.188 8.922 273 HG SER 33 HG SER 33 -1.401 12.098 10.311 274 H CYS 34 H CYS 34 -2.002 7.758 12.047 275 HA CYS 34 HA CYS 34 -2.905 5.644 10.491 276 HB2 CYS 34 HB3 CYS 34 -3.203 5.800 12.939 277 HB3 CYS 34 HB2 CYS 34 -4.412 7.058 12.701 278 HG CYS 34 HG CYS 34 -5.183 4.340 12.924 279 H ALA 35 H ALA 35 -3.834 5.810 8.562 280 HA ALA 35 HA ALA 35 -5.899 7.874 8.163 281 HB1 ALA 35 HB1 ALA 35 -3.772 6.799 6.421 282 HB2 ALA 35 HB2 ALA 35 -4.476 8.414 6.493 283 HB3 ALA 35 HB3 ALA 35 -5.326 7.120 5.651 284 H LYS 36 H LYS 36 -7.884 7.316 7.354 285 HA LYS 36 HA LYS 36 -8.760 4.645 7.792 286 HB2 LYS 36 HB3 LYS 36 -9.995 7.070 7.747 287 HB3 LYS 36 HB2 LYS 36 -10.498 6.415 6.196 288 HG2 LYS 36 HG3 LYS 36 -11.818 4.842 7.132 289 HG3 LYS 36 HG2 LYS 36 -10.741 4.603 8.510 290 HD2 LYS 36 HD3 LYS 36 -11.608 7.136 8.956 291 HD3 LYS 36 HD2 LYS 36 -13.026 6.424 8.183 292 HE2 LYS 36 HE3 LYS 36 -11.645 4.934 10.369 293 HE3 LYS 36 HE2 LYS 36 -12.705 6.281 10.781 294 HZ1 LYS 36 HZ1 LYS 36 -13.755 4.318 8.902 295 HZ2 LYS 36 HZ2 LYS 36 -14.538 5.149 10.150 296 HZ3 LYS 36 HZ3 LYS 36 -13.575 3.804 10.503 297 H ALA 37 H ALA 37 -10.585 4.251 5.685 298 HA ALA 37 HA ALA 37 -8.737 3.327 3.619 299 HB1 ALA 37 HB1 ALA 37 -10.231 1.671 4.554 300 HB2 ALA 37 HB2 ALA 37 -10.628 1.944 2.858 301 HB3 ALA 37 HB3 ALA 37 -11.632 2.651 4.123 302 H SER 38 H SER 38 -9.552 6.155 3.835 303 HA SER 38 HA SER 38 -10.499 6.463 1.085 304 HB2 SER 38 HB3 SER 38 -11.608 8.168 3.318 305 HB3 SER 38 HB2 SER 38 -12.144 8.100 1.639 306 HG SER 38 HG SER 38 -12.866 5.977 2.025 307 H LYS 39 H LYS 39 -7.925 6.747 2.577 308 HA LYS 39 HA LYS 39 -7.431 9.615 2.362 309 HB2 LYS 39 HB3 LYS 39 -6.300 7.435 3.901 310 HB3 LYS 39 HB2 LYS 39 -5.042 8.340 3.071 311 HG2 LYS 39 HG3 LYS 39 -6.948 10.120 4.298 312 HG3 LYS 39 HG2 LYS 39 -6.283 8.987 5.475 313 HD2 LYS 39 HD3 LYS 39 -4.875 10.919 5.440 314 HD3 LYS 39 HD2 LYS 39 -4.001 9.599 4.659 315 HE2 LYS 39 HE3 LYS 39 -4.408 10.485 2.501 316 HE3 LYS 39 HE2 LYS 39 -5.601 11.626 3.118 317 HZ1 LYS 39 HZ1 LYS 39 -3.879 12.841 4.227 318 HZ2 LYS 39 HZ2 LYS 39 -3.436 12.651 2.605 319 HZ3 LYS 39 HZ3 LYS 39 -2.712 11.694 3.796 320 H GLU 40 H GLU 40 -6.173 10.527 0.819 321 HA GLU 40 HA GLU 40 -5.502 8.882 -1.473 322 HB2 GLU 40 HB3 GLU 40 -6.562 11.301 -1.404 323 HB3 GLU 40 HB2 GLU 40 -4.878 11.801 -1.342 324 HG2 GLU 40 HG3 GLU 40 -4.409 10.771 -3.432 325 HG3 GLU 40 HG2 GLU 40 -5.984 9.977 -3.458 326 H VAL 41 H VAL 41 -3.461 8.574 -2.315 327 HA VAL 41 HA VAL 41 -1.224 9.346 -0.557 328 HB VAL 41 HB VAL 41 -0.052 7.311 -1.392 329 HG11 VAL 41 HG11 VAL 41 -0.910 7.027 0.736 330 HG12 VAL 41 HG12 VAL 41 -1.643 5.685 -0.142 331 HG13 VAL 41 HG13 VAL 41 -2.583 7.140 0.190 332 HG21 VAL 41 HG21 VAL 41 -0.942 5.859 -2.871 333 HG22 VAL 41 HG22 VAL 41 -1.902 7.257 -3.356 334 HG23 VAL 41 HG23 VAL 41 -2.579 6.063 -2.250 335 H LYS 42 H LYS 42 0.770 9.869 -1.542 336 HA LYS 42 HA LYS 42 0.549 10.591 -4.392 337 HB2 LYS 42 HB3 LYS 42 0.859 12.330 -2.305 338 HB3 LYS 42 HB2 LYS 42 2.527 12.060 -2.786 339 HG2 LYS 42 HG3 LYS 42 1.110 12.466 -5.165 340 HG3 LYS 42 HG2 LYS 42 0.507 13.673 -4.029 341 HD2 LYS 42 HD3 LYS 42 3.446 13.189 -4.442 342 HD3 LYS 42 HD2 LYS 42 2.529 14.316 -5.444 343 HE2 LYS 42 HE3 LYS 42 1.775 15.090 -2.954 344 HE3 LYS 42 HE2 LYS 42 3.429 14.557 -2.657 345 HZ1 LYS 42 HZ1 LYS 42 2.560 16.587 -4.642 346 HZ2 LYS 42 HZ2 LYS 42 4.147 16.027 -4.473 347 HZ3 LYS 42 HZ3 LYS 42 3.412 16.879 -3.211 348 H ALA 43 H ALA 43 2.929 11.067 -5.241 349 HA ALA 43 HA ALA 43 4.296 8.532 -5.051 350 HB1 ALA 43 HB1 ALA 43 5.798 9.540 -6.787 351 HB2 ALA 43 HB2 ALA 43 4.806 10.996 -6.707 352 HB3 ALA 43 HB3 ALA 43 4.093 9.470 -7.232 353 H GLY 44 H GLY 44 6.635 8.378 -4.718 354 HA2 GLY 44 HA3 GLY 44 8.498 8.678 -3.414 355 HA3 GLY 44 HA2 GLY 44 8.213 10.401 -3.607 356 H ASP 45 H ASP 45 5.815 8.360 -2.129 357 HA ASP 45 HA ASP 45 6.338 9.703 0.432 358 HB2 ASP 45 HB3 ASP 45 4.010 9.579 -0.987 359 HB3 ASP 45 HB2 ASP 45 3.806 8.228 0.124 360 H THR 46 H THR 46 5.450 8.300 2.351 361 HA THR 46 HA THR 46 6.693 5.647 2.090 362 HB THR 46 HB THR 46 6.344 7.380 4.544 363 HG1 THR 46 HG1 THR 46 7.985 8.030 3.034 364 HG21 THR 46 HG21 THR 46 6.618 5.528 5.726 365 HG22 THR 46 HG22 THR 46 8.261 5.476 5.088 366 HG23 THR 46 HG23 THR 46 6.975 4.571 4.290 367 H ILE 47 H ILE 47 5.607 3.845 2.686 368 HA ILE 47 HA ILE 47 2.822 4.204 3.589 369 HB ILE 47 HB ILE 47 3.944 1.936 1.935 370 HG12 ILE 47 HG13 ILE 47 3.846 4.055 0.683 371 HG13 ILE 47 HG12 ILE 47 2.671 2.892 0.079 372 HG21 ILE 47 HG21 ILE 47 2.013 0.847 2.212 373 HG22 ILE 47 HG22 ILE 47 1.057 2.310 1.978 374 HG23 ILE 47 HG23 ILE 47 1.724 1.938 3.567 375 HD11 ILE 47 HD11 ILE 47 1.064 4.378 0.354 376 HD12 ILE 47 HD12 ILE 47 2.241 5.539 0.970 377 HD13 ILE 47 HD13 ILE 47 1.410 4.450 2.082 378 H SER 48 H SER 48 2.925 3.882 5.752 379 HA SER 48 HA SER 48 4.630 1.858 6.896 380 HB2 SER 48 HB3 SER 48 4.457 3.730 8.279 381 HB3 SER 48 HB2 SER 48 2.724 3.896 8.005 382 HG SER 48 HG SER 48 2.370 2.123 9.320 383 H LEU 49 H LEU 49 3.842 0.159 8.302 384 HA LEU 49 HA LEU 49 1.090 -0.698 7.945 385 HB2 LEU 49 HB3 LEU 49 3.456 -2.128 6.799 386 HB3 LEU 49 HB2 LEU 49 2.066 -3.046 7.345 387 HG LEU 49 HG LEU 49 0.828 -1.228 5.779 388 HD11 LEU 49 HD11 LEU 49 2.061 -0.404 4.084 389 HD12 LEU 49 HD12 LEU 49 3.111 -1.820 4.014 390 HD13 LEU 49 HD13 LEU 49 3.382 -0.581 5.239 391 HD21 LEU 49 HD21 LEU 49 1.863 -3.966 5.384 392 HD22 LEU 49 HD22 LEU 49 1.330 -3.111 3.936 393 HD23 LEU 49 HD23 LEU 49 0.214 -3.347 5.282 394 H HIS 50 H HIS 50 0.507 -0.995 9.997 395 HA HIS 50 HA HIS 50 2.404 -1.892 11.982 396 HB2 HIS 50 HB3 HIS 50 0.397 -0.183 12.210 397 HB3 HIS 50 HB2 HIS 50 -0.515 -1.646 12.568 398 HD1 HIS 50 HD1 HIS 50 2.497 0.272 13.837 399 HD2 HIS 50 HD2 HIS 50 -0.268 -2.547 15.131 400 HE1 HIS 50 HE1 HIS 50 2.930 -0.015 16.297 401 HE2 HIS 50 HE2 HIS 50 1.331 -1.818 17.029 402 H TYR 51 H TYR 51 2.832 -3.954 12.336 403 HA TYR 51 HA TYR 51 0.676 -5.926 11.963 404 HB2 TYR 51 HB3 TYR 51 3.524 -5.990 11.045 405 HB3 TYR 51 HB2 TYR 51 2.730 -7.501 11.476 406 HD1 TYR 51 HD2 TYR 51 1.794 -4.426 9.555 407 HD2 TYR 51 HD1 TYR 51 1.939 -8.676 9.663 408 HE1 TYR 51 HE2 TYR 51 0.762 -4.510 7.327 409 HE2 TYR 51 HE1 TYR 51 0.908 -8.773 7.433 410 HH TYR 51 HH TYR 51 0.825 -6.388 5.339 411 H LEU 52 H LEU 52 0.972 -7.923 13.229 412 HA LEU 52 HA LEU 52 1.487 -7.321 15.949 413 HB2 LEU 52 HB3 LEU 52 1.214 -9.845 16.223 414 HB3 LEU 52 HB2 LEU 52 -0.152 -8.944 15.595 415 HG LEU 52 HG LEU 52 1.591 -9.978 13.489 416 HD11 LEU 52 HD11 LEU 52 1.508 -12.207 13.846 417 HD12 LEU 52 HD12 LEU 52 -0.017 -12.121 14.727 418 HD13 LEU 52 HD13 LEU 52 1.493 -11.701 15.536 419 HD21 LEU 52 HD21 LEU 52 -1.335 -10.458 14.001 420 HD22 LEU 52 HD22 LEU 52 -0.472 -10.541 12.464 421 HD23 LEU 52 HD23 LEU 52 -0.710 -8.984 13.260 422 H LYS 53 H LYS 53 3.382 -8.787 13.410 423 HA LYS 53 HA LYS 53 5.429 -9.730 15.220 424 HB2 LYS 53 HB3 LYS 53 6.596 -10.460 13.217 425 HB3 LYS 53 HB2 LYS 53 4.912 -10.956 13.146 426 HG2 LYS 53 HG3 LYS 53 4.982 -10.125 11.075 427 HG3 LYS 53 HG2 LYS 53 4.804 -8.562 11.875 428 HD2 LYS 53 HD3 LYS 53 6.660 -8.070 10.676 429 HD3 LYS 53 HD2 LYS 53 7.469 -8.851 12.036 430 HE2 LYS 53 HE3 LYS 53 7.270 -11.013 10.730 431 HE3 LYS 53 HE2 LYS 53 6.797 -10.025 9.349 432 HZ1 LYS 53 HZ1 LYS 53 9.195 -10.576 9.426 433 HZ2 LYS 53 HZ2 LYS 53 9.333 -9.671 10.849 434 HZ3 LYS 53 HZ3 LYS 53 8.890 -8.914 9.403 435 H GLY 54 H GLY 54 4.809 -6.926 13.244 436 HA2 GLY 54 HA3 GLY 54 6.473 -5.185 14.527 437 HA3 GLY 54 HA2 GLY 54 7.509 -5.939 13.326 438 H ILE 55 H ILE 55 7.832 -4.187 12.023 439 HA ILE 55 HA ILE 55 5.494 -3.304 10.489 440 HB ILE 55 HB ILE 55 7.598 -1.380 11.478 441 HG12 ILE 55 HG13 ILE 55 5.306 -0.558 12.665 442 HG13 ILE 55 HG12 ILE 55 5.052 -2.300 12.678 443 HG21 ILE 55 HG21 ILE 55 5.363 -1.225 9.587 444 HG22 ILE 55 HG22 ILE 55 6.810 -0.226 9.723 445 HG23 ILE 55 HG23 ILE 55 5.421 0.087 10.764 446 HD11 ILE 55 HD11 ILE 55 6.963 -2.668 13.993 447 HD12 ILE 55 HD12 ILE 55 6.137 -1.290 14.720 448 HD13 ILE 55 HD13 ILE 55 7.565 -1.033 13.718 449 H GLU 56 H GLU 56 5.915 -2.713 8.357 450 HA GLU 56 HA GLU 56 8.533 -3.589 7.357 451 HB2 GLU 56 HB3 GLU 56 5.831 -3.371 6.033 452 HB3 GLU 56 HB2 GLU 56 7.310 -3.674 5.133 453 HG2 GLU 56 HG3 GLU 56 6.735 -5.820 5.432 454 HG3 GLU 56 HG2 GLU 56 7.505 -5.594 7.002 455 H GLU 57 H GLU 57 6.071 -1.091 6.721 456 HA GLU 57 HA GLU 57 6.236 1.067 6.037 457 HB2 GLU 57 HB3 GLU 57 8.540 0.611 7.687 458 HB3 GLU 57 HB2 GLU 57 8.972 1.699 6.377 459 HG2 GLU 57 HG3 GLU 57 7.357 3.282 7.018 460 HG3 GLU 57 HG2 GLU 57 6.548 2.137 8.087 461 H TYR 58 H TYR 58 5.889 0.813 3.872 462 HA TYR 58 HA TYR 58 8.161 0.233 2.131 463 HB2 TYR 58 HB3 TYR 58 5.221 0.538 1.484 464 HB3 TYR 58 HB2 TYR 58 6.473 0.091 0.332 465 HD1 TYR 58 HD1 TYR 58 5.189 -1.019 3.667 466 HD2 TYR 58 HD2 TYR 58 6.723 -2.150 -0.137 467 HE1 TYR 58 HE1 TYR 58 4.873 -3.387 4.250 468 HE2 TYR 58 HE2 TYR 58 6.410 -4.520 0.435 469 HH TYR 58 HH TYR 58 6.290 -5.807 2.949 470 H THR 59 H THR 59 7.863 1.554 -0.084 471 HA THR 59 HA THR 59 7.427 4.385 0.523 472 HB THR 59 HB THR 59 9.960 3.288 -0.712 473 HG1 THR 59 HG1 THR 59 10.509 3.185 1.302 474 HG21 THR 59 HG21 THR 59 9.257 5.481 -1.649 475 HG22 THR 59 HG22 THR 59 10.796 5.511 -0.790 476 HG23 THR 59 HG23 THR 59 9.344 6.144 -0.017 477 H ILE 60 H ILE 60 6.307 5.361 -1.029 478 HA ILE 60 HA ILE 60 5.702 3.948 -3.470 479 HB ILE 60 HB ILE 60 4.853 6.746 -2.735 480 HG12 ILE 60 HG13 ILE 60 3.473 4.129 -2.095 481 HG13 ILE 60 HG12 ILE 60 4.256 5.186 -0.925 482 HG21 ILE 60 HG21 ILE 60 2.818 5.751 -4.136 483 HG22 ILE 60 HG22 ILE 60 4.123 4.791 -4.832 484 HG23 ILE 60 HG23 ILE 60 4.193 6.551 -4.895 485 HD11 ILE 60 HD11 ILE 60 2.495 6.549 -0.813 486 HD12 ILE 60 HD12 ILE 60 1.611 5.211 -1.546 487 HD13 ILE 60 HD13 ILE 60 2.233 6.515 -2.556 488 H LEU 61 H LEU 61 6.631 4.229 -5.391 489 HA LEU 61 HA LEU 61 8.659 6.319 -5.664 490 HB2 LEU 61 HB3 LEU 61 8.077 3.858 -7.308 491 HB3 LEU 61 HB2 LEU 61 9.327 5.024 -7.698 492 HG LEU 61 HG LEU 61 9.227 3.373 -5.172 493 HD11 LEU 61 HD11 LEU 61 11.183 2.221 -6.171 494 HD12 LEU 61 HD12 LEU 61 10.872 3.080 -7.679 495 HD13 LEU 61 HD13 LEU 61 9.677 1.946 -7.047 496 HD21 LEU 61 HD21 LEU 61 10.326 5.545 -4.886 497 HD22 LEU 61 HD22 LEU 61 11.378 5.190 -6.255 498 HD23 LEU 61 HD23 LEU 61 11.477 4.214 -4.790 499 H GLN 62 H GLN 62 5.518 5.457 -6.801 500 HA GLN 62 HA GLN 62 5.081 7.933 -8.046 501 HB2 GLN 62 HB3 GLN 62 6.598 6.368 -9.675 502 HB3 GLN 62 HB2 GLN 62 4.981 5.927 -10.206 503 HG2 GLN 62 HG3 GLN 62 4.494 8.337 -10.541 504 HG3 GLN 62 HG2 GLN 62 6.177 8.686 -10.149 505 HE21 GLN 62 HE22 GLN 62 5.339 9.552 -12.500 506 HE22 GLN 62 HE21 GLN 62 5.947 8.583 -13.794 507 H ILE 63 H ILE 63 2.981 7.931 -9.316 508 HA ILE 63 HA ILE 63 1.181 5.829 -8.299 509 HB ILE 63 HB ILE 63 0.407 8.723 -8.652 510 HG12 ILE 63 HG13 ILE 63 2.104 8.500 -6.874 511 HG13 ILE 63 HG12 ILE 63 0.527 8.931 -6.220 512 HG21 ILE 63 HG21 ILE 63 -1.079 6.918 -6.859 513 HG22 ILE 63 HG22 ILE 63 -1.194 6.558 -8.583 514 HG23 ILE 63 HG23 ILE 63 -1.666 8.147 -7.979 515 HD11 ILE 63 HD11 ILE 63 1.716 7.244 -4.880 516 HD12 ILE 63 HD12 ILE 63 1.661 6.145 -6.259 517 HD13 ILE 63 HD13 ILE 63 0.164 6.670 -5.489 518 HA PRO 64 HA PRO 64 0.767 5.818 -12.880 519 HB2 PRO 64 HB2 PRO 64 -0.048 3.220 -13.005 520 HB3 PRO 64 HB3 PRO 64 1.651 3.705 -12.973 521 HG2 PRO 64 HG3 PRO 64 -0.084 2.737 -10.735 522 HG3 PRO 64 HG2 PRO 64 1.594 2.307 -11.116 523 HD2 PRO 64 HD3 PRO 64 0.973 4.077 -9.179 524 HD3 PRO 64 HD2 PRO 64 2.435 4.242 -10.171 525 H ALA 65 H ALA 65 -1.384 5.283 -10.269 526 HA ALA 65 HA ALA 65 -3.635 5.495 -10.031 527 HB1 ALA 65 HB1 ALA 65 -4.578 7.218 -11.143 528 HB2 ALA 65 HB2 ALA 65 -4.068 6.620 -12.722 529 HB3 ALA 65 HB3 ALA 65 -2.925 7.485 -11.696 530 H LEU 66 H LEU 66 -2.623 3.047 -11.085 531 HA LEU 66 HA LEU 66 -4.561 2.238 -13.106 532 HB2 LEU 66 HB3 LEU 66 -3.206 0.467 -13.580 533 HB3 LEU 66 HB2 LEU 66 -2.016 1.584 -12.947 534 HG LEU 66 HG LEU 66 -3.262 -0.733 -11.464 535 HD11 LEU 66 HD11 LEU 66 -1.283 -1.868 -11.738 536 HD12 LEU 66 HD12 LEU 66 -0.351 -0.398 -12.019 537 HD13 LEU 66 HD13 LEU 66 -1.410 -1.024 -13.282 538 HD21 LEU 66 HD21 LEU 66 -2.765 1.350 -10.098 539 HD22 LEU 66 HD22 LEU 66 -1.066 1.060 -10.471 540 HD23 LEU 66 HD23 LEU 66 -1.989 -0.145 -9.575 541 H LYS 67 H LYS 67 -5.299 -0.213 -12.642 542 HA LYS 67 HA LYS 67 -6.648 -0.116 -10.026 543 HB2 LYS 67 HB3 LYS 67 -7.523 -1.016 -12.731 544 HB3 LYS 67 HB2 LYS 67 -8.187 -1.841 -11.329 545 HG2 LYS 67 HG3 LYS 67 -8.429 0.848 -10.706 546 HG3 LYS 67 HG2 LYS 67 -8.826 0.757 -12.423 547 HD2 LYS 67 HD3 LYS 67 -10.310 -1.249 -11.719 548 HD3 LYS 67 HD2 LYS 67 -10.166 -0.571 -10.096 549 HE2 LYS 67 HE3 LYS 67 -10.821 1.653 -11.406 550 HE3 LYS 67 HE2 LYS 67 -11.575 0.481 -12.486 551 HZ1 LYS 67 HZ1 LYS 67 -13.105 -0.095 -10.944 552 HZ2 LYS 67 HZ2 LYS 67 -12.810 1.475 -10.384 553 HZ3 LYS 67 HZ3 LYS 67 -12.069 0.155 -9.632 554 H ASN 68 H ASN 68 -4.657 -2.019 -12.142 555 HA ASN 68 HA ASN 68 -4.149 -3.895 -9.988 556 HB2 ASN 68 HB3 ASN 68 -6.110 -4.780 -11.366 557 HB3 ASN 68 HB2 ASN 68 -4.957 -4.990 -12.681 558 HD21 ASN 68 HD22 ASN 68 -6.537 -6.675 -10.516 559 HD22 ASN 68 HD21 ASN 68 -5.384 -7.898 -10.122 560 H VAL 69 H VAL 69 -2.058 -4.460 -9.951 561 HA VAL 69 HA VAL 69 -0.387 -3.660 -12.222 562 HB VAL 69 HB VAL 69 0.575 -4.490 -9.489 563 HG11 VAL 69 HG11 VAL 69 2.225 -4.515 -11.310 564 HG12 VAL 69 HG12 VAL 69 2.587 -3.282 -10.103 565 HG13 VAL 69 HG13 VAL 69 1.866 -2.821 -11.644 566 HG21 VAL 69 HG21 VAL 69 0.209 -1.642 -10.368 567 HG22 VAL 69 HG22 VAL 69 0.521 -2.265 -8.748 568 HG23 VAL 69 HG23 VAL 69 -1.053 -2.519 -9.503 569 HA PRO 70 HA PRO 70 -0.404 -8.178 -12.951 570 HB2 PRO 70 HB2 PRO 70 0.506 -7.980 -15.515 571 HB3 PRO 70 HB3 PRO 70 -1.197 -7.825 -15.073 572 HG2 PRO 70 HG3 PRO 70 0.821 -5.686 -15.626 573 HG3 PRO 70 HG2 PRO 70 -0.873 -5.788 -16.143 574 HD2 PRO 70 HD3 PRO 70 -0.096 -4.249 -14.069 575 HD3 PRO 70 HD2 PRO 70 -1.672 -5.066 -14.099 576 H ARG 71 H ARG 71 1.438 -9.467 -14.265 577 HA ARG 71 HA ARG 71 3.836 -9.031 -12.744 578 HB2 ARG 71 HB3 ARG 71 3.412 -11.032 -14.964 579 HB3 ARG 71 HB2 ARG 71 4.609 -11.101 -13.679 580 HG2 ARG 71 HG3 ARG 71 1.792 -10.986 -12.819 581 HG3 ARG 71 HG2 ARG 71 2.303 -12.463 -13.639 582 HD2 ARG 71 HD3 ARG 71 2.851 -13.028 -11.503 583 HD3 ARG 71 HD2 ARG 71 4.352 -12.233 -11.976 584 HE ARG 71 HE ARG 71 3.946 -10.702 -10.349 585 HH11 ARG 71 HH11 ARG 71 0.882 -12.040 -11.350 586 HH12 ARG 71 HH12 ARG 71 -0.033 -11.136 -10.190 587 HH21 ARG 71 HH22 ARG 71 2.744 -9.513 -8.823 588 HH22 ARG 71 HH21 ARG 71 1.022 -9.701 -8.757 589 H LYS 72 H LYS 72 3.880 -6.794 -13.921 590 HA LYS 72 HA LYS 72 5.690 -7.067 -16.228 591 HB2 LYS 72 HB3 LYS 72 3.308 -5.345 -15.848 592 HB3 LYS 72 HB2 LYS 72 4.700 -4.590 -16.613 593 HG2 LYS 72 HG3 LYS 72 4.625 -6.798 -18.075 594 HG3 LYS 72 HG2 LYS 72 2.926 -6.748 -17.599 595 HD2 LYS 72 HD3 LYS 72 4.013 -4.174 -18.491 596 HD3 LYS 72 HD2 LYS 72 3.994 -5.427 -19.734 597 HE2 LYS 72 HE3 LYS 72 1.696 -5.614 -19.701 598 HE3 LYS 72 HE2 LYS 72 1.566 -4.995 -18.055 599 HZ1 LYS 72 HZ1 LYS 72 2.205 -3.407 -20.483 600 HZ2 LYS 72 HZ2 LYS 72 2.176 -2.792 -18.906 601 HZ3 LYS 72 HZ3 LYS 72 0.754 -3.373 -19.616 602 H ASP 73 H ASP 73 4.739 -5.026 -13.483 603 HA ASP 73 HA ASP 73 7.555 -4.249 -13.202 604 HB2 ASP 73 HB3 ASP 73 5.278 -2.492 -13.742 605 HB3 ASP 73 HB2 ASP 73 6.201 -2.008 -12.323 606 H THR 74 H THR 74 4.735 -3.123 -11.386 607 HA THR 74 HA THR 74 4.371 -3.081 -9.126 608 HB THR 74 HB THR 74 3.391 -5.225 -9.763 609 HG1 THR 74 HG1 THR 74 3.031 -5.346 -7.716 610 HG21 THR 74 HG21 THR 74 4.632 -7.322 -9.281 611 HG22 THR 74 HG22 THR 74 6.107 -6.362 -9.169 612 HG23 THR 74 HG23 THR 74 5.217 -6.436 -10.689 613 H HIS 75 H HIS 75 7.139 -2.573 -9.905 614 HA HIS 75 HA HIS 75 8.398 -3.250 -7.346 615 HB2 HIS 75 HB3 HIS 75 9.151 -4.440 -9.724 616 HB3 HIS 75 HB2 HIS 75 10.316 -3.133 -9.542 617 HD1 HIS 75 HD1 HIS 75 10.921 -3.151 -6.610 618 HD2 HIS 75 HD2 HIS 75 10.421 -6.641 -8.807 619 HE1 HIS 75 HE1 HIS 75 12.116 -4.941 -5.309 620 HE2 HIS 75 HE2 HIS 75 11.722 -7.060 -6.612 621 H LEU 76 H LEU 76 8.106 -1.075 -10.055 622 HA LEU 76 HA LEU 76 9.860 0.868 -8.749 623 HB2 LEU 76 HB3 LEU 76 8.921 0.384 -11.503 624 HB3 LEU 76 HB2 LEU 76 9.113 2.069 -11.052 625 HG LEU 76 HG LEU 76 11.347 0.153 -10.525 626 HD11 LEU 76 HD11 LEU 76 10.314 0.195 -13.007 627 HD12 LEU 76 HD12 LEU 76 12.031 -0.009 -12.667 628 HD13 LEU 76 HD13 LEU 76 11.402 1.580 -13.103 629 HD21 LEU 76 HD21 LEU 76 12.462 2.438 -11.367 630 HD22 LEU 76 HD22 LEU 76 12.005 2.149 -9.689 631 HD23 LEU 76 HD23 LEU 76 10.937 3.071 -10.746 632 H TYR 77 H TYR 77 6.993 0.101 -8.004 633 HA TYR 77 HA TYR 77 5.882 2.829 -8.072 634 HB2 TYR 77 HB3 TYR 77 4.317 0.251 -7.849 635 HB3 TYR 77 HB2 TYR 77 3.657 1.876 -8.007 636 HD1 TYR 77 HD1 TYR 77 5.032 3.102 -10.165 637 HD2 TYR 77 HD2 TYR 77 3.909 -0.981 -9.751 638 HE1 TYR 77 HE1 TYR 77 5.023 2.862 -12.613 639 HE2 TYR 77 HE2 TYR 77 3.898 -1.232 -12.197 640 HH TYR 77 HH TYR 77 4.944 -0.126 -14.167 641 H ILE 78 H ILE 78 6.600 0.001 -6.153 642 HA ILE 78 HA ILE 78 6.649 1.528 -3.743 643 HB ILE 78 HB ILE 78 4.228 1.192 -3.887 644 HG12 ILE 78 HG13 ILE 78 5.538 -0.499 -1.744 645 HG13 ILE 78 HG12 ILE 78 5.292 1.243 -1.676 646 HG21 ILE 78 HG21 ILE 78 4.604 -1.757 -3.572 647 HG22 ILE 78 HG22 ILE 78 4.570 -1.028 -5.177 648 HG23 ILE 78 HG23 ILE 78 3.182 -0.859 -4.102 649 HD11 ILE 78 HD11 ILE 78 3.035 1.043 -1.311 650 HD12 ILE 78 HD12 ILE 78 3.663 -0.361 -0.447 651 HD13 ILE 78 HD13 ILE 78 2.948 -0.556 -2.047 652 H ALA 79 H ALA 79 7.949 0.589 -2.257 653 HA ALA 79 HA ALA 79 8.508 -2.272 -2.428 654 HB1 ALA 79 HB1 ALA 79 11.017 -1.625 -2.227 655 HB2 ALA 79 HB2 ALA 79 10.497 -0.105 -2.956 656 HB3 ALA 79 HB3 ALA 79 10.241 -1.626 -3.812 657 HA PRO 80 HA PRO 80 8.633 -1.889 1.970 658 HB2 PRO 80 HB2 PRO 80 10.089 -4.068 2.632 659 HB3 PRO 80 HB3 PRO 80 8.437 -4.182 2.017 660 HG2 PRO 80 HG3 PRO 80 11.027 -4.557 0.564 661 HG3 PRO 80 HG2 PRO 80 9.541 -5.520 0.468 662 HD2 PRO 80 HD3 PRO 80 10.208 -3.647 -1.383 663 HD3 PRO 80 HD2 PRO 80 8.526 -4.040 -0.972 664 H LYS 81 H LYS 81 9.777 -0.446 3.082 665 HA LYS 81 HA LYS 81 12.633 -0.145 2.578 666 HB2 LYS 81 HB3 LYS 81 11.021 1.813 2.659 667 HB3 LYS 81 HB2 LYS 81 10.905 1.538 4.391 668 HG2 LYS 81 HG3 LYS 81 12.569 3.035 4.488 669 HG3 LYS 81 HG2 LYS 81 13.586 1.646 4.093 670 HD2 LYS 81 HD3 LYS 81 13.281 2.235 1.672 671 HD3 LYS 81 HD2 LYS 81 12.493 3.723 2.201 672 HE2 LYS 81 HE3 LYS 81 14.438 4.689 2.782 673 HE3 LYS 81 HE2 LYS 81 15.082 3.201 3.475 674 HZ1 LYS 81 HZ1 LYS 81 15.416 2.445 1.115 675 HZ2 LYS 81 HZ2 LYS 81 16.419 3.709 1.626 676 HZ3 LYS 81 HZ3 LYS 81 15.089 4.033 0.633 677 H THR 82 H THR 82 14.130 -0.995 3.857 678 HA THR 82 HA THR 82 13.478 -1.512 6.673 679 HB THR 82 HB THR 82 15.130 -3.598 6.134 680 HG1 THR 82 HG1 THR 82 14.921 -3.001 3.842 681 HG21 THR 82 HG21 THR 82 12.154 -3.417 6.121 682 HG22 THR 82 HG22 THR 82 13.232 -4.139 7.316 683 HG23 THR 82 HG23 THR 82 12.957 -4.949 5.773 684 H LYS 83 H LYS 83 14.832 -0.333 7.844 685 HA LYS 83 HA LYS 83 17.684 -0.502 7.358 686 HB2 LYS 83 HB3 LYS 83 16.090 1.961 6.871 687 HB3 LYS 83 HB2 LYS 83 17.640 2.152 7.678 688 HG2 LYS 83 HG3 LYS 83 17.280 0.721 5.056 689 HG3 LYS 83 HG2 LYS 83 17.712 2.425 5.204 690 HD2 LYS 83 HD3 LYS 83 19.625 1.541 6.723 691 HD3 LYS 83 HD2 LYS 83 19.302 -0.003 5.935 692 HE2 LYS 83 HE3 LYS 83 19.460 2.159 4.019 693 HE3 LYS 83 HE2 LYS 83 20.924 2.051 4.993 694 HZ1 LYS 83 HZ1 LYS 83 19.808 0.123 3.095 695 HZ2 LYS 83 HZ2 LYS 83 20.654 -0.482 4.430 696 HZ3 LYS 83 HZ3 LYS 83 21.417 0.576 3.353 697 H GLU 84 H GLU 84 18.726 -0.641 9.234 698 HA GLU 84 HA GLU 84 19.171 -0.614 11.463 699 HB2 GLU 84 HB3 GLU 84 18.196 1.962 10.818 700 HB3 GLU 84 HB2 GLU 84 17.464 1.518 12.353 701 HG2 GLU 84 HG3 GLU 84 20.346 0.984 12.115 702 HG3 GLU 84 HG2 GLU 84 19.874 2.682 12.107 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -4.181 7.472 -7.338 2 H2 MET 1 H2 MET 1 -3.726 8.145 -5.829 3 H3 MET 1 H3 MET 1 -5.387 8.011 -6.241 4 HA MET 1 HA MET 1 -5.324 5.696 -6.138 5 HB2 MET 1 HB3 MET 1 -2.738 5.975 -6.928 6 HB3 MET 1 HB2 MET 1 -2.513 5.569 -5.231 7 HG2 MET 1 HG3 MET 1 -3.229 3.448 -5.500 8 HG3 MET 1 HG2 MET 1 -4.413 3.886 -6.729 9 HE1 MET 1 HE1 MET 1 -3.076 1.951 -9.360 10 HE2 MET 1 HE2 MET 1 -4.223 2.112 -8.029 11 HE3 MET 1 HE3 MET 1 -2.780 1.116 -7.834 12 H ARG 2 H ARG 2 -5.112 4.381 -4.114 13 HA ARG 2 HA ARG 2 -4.709 6.024 -1.717 14 HB2 ARG 2 HB3 ARG 2 -7.129 4.279 -2.212 15 HB3 ARG 2 HB2 ARG 2 -6.779 5.152 -0.727 16 HG2 ARG 2 HG3 ARG 2 -7.671 7.025 -1.515 17 HG3 ARG 2 HG2 ARG 2 -6.752 6.915 -3.016 18 HD2 ARG 2 HD3 ARG 2 -8.395 5.593 -4.051 19 HD3 ARG 2 HD2 ARG 2 -9.181 5.223 -2.516 20 HE ARG 2 HE ARG 2 -9.239 8.008 -3.027 21 HH11 ARG 2 HH11 ARG 2 -10.729 5.006 -3.997 22 HH12 ARG 2 HH12 ARG 2 -12.221 5.752 -4.461 23 HH21 ARG 2 HH22 ARG 2 -11.201 8.992 -3.637 24 HH22 ARG 2 HH21 ARG 2 -12.490 8.014 -4.258 25 H ILE 3 H ILE 3 -4.175 4.867 0.162 26 HA ILE 3 HA ILE 3 -2.475 2.714 -0.097 27 HB ILE 3 HB ILE 3 -2.536 4.127 1.886 28 HG12 ILE 3 HG13 ILE 3 -1.848 1.550 1.845 29 HG13 ILE 3 HG12 ILE 3 -1.760 2.516 3.312 30 HG21 ILE 3 HG21 ILE 3 -4.996 4.344 1.990 31 HG22 ILE 3 HG22 ILE 3 -4.259 3.974 3.548 32 HG23 ILE 3 HG23 ILE 3 -5.084 2.708 2.639 33 HD11 ILE 3 HD11 ILE 3 -3.891 1.615 4.049 34 HD12 ILE 3 HD12 ILE 3 -2.741 0.322 3.713 35 HD13 ILE 3 HD13 ILE 3 -4.026 0.680 2.561 36 H ASP 4 H ASP 4 -5.942 2.704 0.091 37 HA ASP 4 HA ASP 4 -6.242 -0.019 0.861 38 HB2 ASP 4 HB3 ASP 4 -8.046 1.603 1.182 39 HB3 ASP 4 HB2 ASP 4 -8.170 1.829 -0.561 40 H LYS 5 H LYS 5 -6.676 1.598 -2.296 41 HA LYS 5 HA LYS 5 -6.640 -0.986 -3.629 42 HB2 LYS 5 HB3 LYS 5 -7.444 1.770 -4.344 43 HB3 LYS 5 HB2 LYS 5 -6.827 0.778 -5.659 44 HG2 LYS 5 HG3 LYS 5 -8.807 -0.549 -3.951 45 HG3 LYS 5 HG2 LYS 5 -9.412 0.846 -4.848 46 HD2 LYS 5 HD3 LYS 5 -7.842 -0.614 -6.661 47 HD3 LYS 5 HD2 LYS 5 -8.806 -1.806 -5.787 48 HE2 LYS 5 HE3 LYS 5 -10.834 -0.771 -6.421 49 HE3 LYS 5 HE2 LYS 5 -10.004 0.678 -6.986 50 HZ1 LYS 5 HZ1 LYS 5 -10.651 -0.615 -8.866 51 HZ2 LYS 5 HZ2 LYS 5 -9.937 -2.015 -8.235 52 HZ3 LYS 5 HZ3 LYS 5 -8.968 -0.719 -8.729 53 H PHE 6 H PHE 6 -4.302 1.164 -2.645 54 HA PHE 6 HA PHE 6 -2.632 1.115 -4.975 55 HB2 PHE 6 HB3 PHE 6 -2.539 2.969 -3.371 56 HB3 PHE 6 HB2 PHE 6 -1.968 1.866 -2.124 57 HD1 PHE 6 HD2 PHE 6 0.253 0.693 -2.497 58 HD2 PHE 6 HD1 PHE 6 -1.044 4.015 -4.820 59 HE1 PHE 6 HE2 PHE 6 2.576 1.108 -3.193 60 HE2 PHE 6 HE1 PHE 6 1.277 4.434 -5.522 61 HZ PHE 6 HZ PHE 6 3.090 2.980 -4.708 62 H LEU 7 H LEU 7 -1.986 -0.166 -1.704 63 HA LEU 7 HA LEU 7 0.007 -1.955 -2.738 64 HB2 LEU 7 HB3 LEU 7 0.255 -2.673 -0.403 65 HB3 LEU 7 HB2 LEU 7 0.352 -0.934 -0.587 66 HG LEU 7 HG LEU 7 -2.232 -1.087 0.013 67 HD11 LEU 7 HD11 LEU 7 -2.947 -2.936 1.058 68 HD12 LEU 7 HD12 LEU 7 -1.410 -3.183 1.889 69 HD13 LEU 7 HD13 LEU 7 -1.608 -3.725 0.223 70 HD21 LEU 7 HD21 LEU 7 -0.508 0.178 1.221 71 HD22 LEU 7 HD22 LEU 7 -0.033 -1.295 2.067 72 HD23 LEU 7 HD23 LEU 7 -1.641 -0.613 2.317 73 H GLN 8 H GLN 8 -3.354 -2.161 -2.314 74 HA GLN 8 HA GLN 8 -3.361 -5.044 -1.956 75 HB2 GLN 8 HB3 GLN 8 -5.645 -3.104 -2.304 76 HB3 GLN 8 HB2 GLN 8 -5.805 -4.805 -1.890 77 HG2 GLN 8 HG3 GLN 8 -4.398 -4.296 0.152 78 HG3 GLN 8 HG2 GLN 8 -4.635 -2.591 -0.232 79 HE21 GLN 8 HE22 GLN 8 -5.533 -4.359 2.023 80 HE22 GLN 8 HE21 GLN 8 -7.238 -4.098 2.128 81 H SER 9 H SER 9 -3.507 -2.761 -4.528 82 HA SER 9 HA SER 9 -4.717 -4.663 -6.374 83 HB2 SER 9 HB3 SER 9 -4.778 -2.876 -7.964 84 HB3 SER 9 HB2 SER 9 -5.272 -2.196 -6.413 85 HG SER 9 HG SER 9 -2.956 -1.604 -6.214 86 H VAL 10 H VAL 10 -1.601 -3.233 -5.641 87 HA VAL 10 HA VAL 10 -0.162 -3.907 -7.912 88 HB VAL 10 HB VAL 10 1.828 -4.093 -6.346 89 HG11 VAL 10 HG11 VAL 10 2.062 -1.873 -6.527 90 HG12 VAL 10 HG12 VAL 10 0.597 -1.548 -5.601 91 HG13 VAL 10 HG13 VAL 10 0.488 -1.921 -7.321 92 HG21 VAL 10 HG21 VAL 10 1.558 -3.533 -4.043 93 HG22 VAL 10 HG22 VAL 10 0.451 -4.860 -4.397 94 HG23 VAL 10 HG23 VAL 10 -0.162 -3.211 -4.264 95 H GLY 11 H GLY 11 -1.374 -5.952 -5.384 96 HA2 GLY 11 HA3 GLY 11 -1.672 -8.306 -5.908 97 HA3 GLY 11 HA2 GLY 11 -0.121 -8.259 -6.731 98 H LEU 12 H LEU 12 -0.521 -6.647 -3.683 99 HA LEU 12 HA LEU 12 1.402 -8.484 -2.492 100 HB2 LEU 12 HB3 LEU 12 0.665 -5.690 -2.137 101 HB3 LEU 12 HB2 LEU 12 0.800 -6.535 -0.608 102 HG LEU 12 HG LEU 12 3.072 -7.287 -2.076 103 HD11 LEU 12 HD11 LEU 12 2.861 -5.524 -3.632 104 HD12 LEU 12 HD12 LEU 12 4.073 -5.002 -2.462 105 HD13 LEU 12 HD13 LEU 12 2.430 -4.366 -2.373 106 HD21 LEU 12 HD21 LEU 12 2.685 -6.810 0.412 107 HD22 LEU 12 HD22 LEU 12 3.028 -5.129 0.006 108 HD23 LEU 12 HD23 LEU 12 4.247 -6.370 -0.278 109 H VAL 13 H VAL 13 -1.645 -6.935 -1.455 110 HA VAL 13 HA VAL 13 -2.240 -9.381 0.081 111 HB VAL 13 HB VAL 13 -3.628 -7.813 1.557 112 HG11 VAL 13 HG11 VAL 13 -1.956 -7.869 3.068 113 HG12 VAL 13 HG12 VAL 13 -0.805 -7.093 1.983 114 HG13 VAL 13 HG13 VAL 13 -1.140 -8.816 1.825 115 HG21 VAL 13 HG21 VAL 13 -1.725 -5.688 0.650 116 HG22 VAL 13 HG22 VAL 13 -3.229 -5.528 1.558 117 HG23 VAL 13 HG23 VAL 13 -3.273 -5.910 -0.163 118 H LYS 14 H LYS 14 -3.945 -10.437 -0.663 119 HA LYS 14 HA LYS 14 -6.096 -8.904 -1.971 120 HB2 LYS 14 HB3 LYS 14 -4.876 -11.557 -2.695 121 HB3 LYS 14 HB2 LYS 14 -6.502 -11.133 -3.215 122 HG2 LYS 14 HG3 LYS 14 -5.639 -9.184 -4.386 123 HG3 LYS 14 HG2 LYS 14 -4.006 -9.565 -3.834 124 HD2 LYS 14 HD3 LYS 14 -3.896 -10.574 -5.862 125 HD3 LYS 14 HD2 LYS 14 -4.631 -11.906 -4.968 126 HE2 LYS 14 HE3 LYS 14 -6.540 -11.762 -6.124 127 HE3 LYS 14 HE2 LYS 14 -6.590 -10.006 -5.981 128 HZ1 LYS 14 HZ1 LYS 14 -6.288 -10.197 -8.205 129 HZ2 LYS 14 HZ2 LYS 14 -5.457 -11.667 -8.100 130 HZ3 LYS 14 HZ3 LYS 14 -4.662 -10.218 -7.744 131 H ARG 15 H ARG 15 -6.359 -9.117 0.652 132 HA ARG 15 HA ARG 15 -8.533 -11.049 0.943 133 HB2 ARG 15 HB3 ARG 15 -6.102 -11.633 2.016 134 HB3 ARG 15 HB2 ARG 15 -6.850 -10.763 3.348 135 HG2 ARG 15 HG3 ARG 15 -8.829 -12.328 3.059 136 HG3 ARG 15 HG2 ARG 15 -7.775 -13.290 2.021 137 HD2 ARG 15 HD3 ARG 15 -6.497 -12.567 4.526 138 HD3 ARG 15 HD2 ARG 15 -7.991 -13.468 4.776 139 HE ARG 15 HE ARG 15 -6.734 -14.926 2.894 140 HH11 ARG 15 HH11 ARG 15 -5.690 -13.656 5.973 141 HH12 ARG 15 HH12 ARG 15 -4.566 -14.940 6.262 142 HH21 ARG 15 HH22 ARG 15 -5.255 -16.616 3.273 143 HH22 ARG 15 HH21 ARG 15 -4.318 -16.620 4.729 144 H ARG 16 H ARG 16 -9.787 -10.609 3.007 145 HA ARG 16 HA ARG 16 -11.062 -9.200 4.254 146 HB2 ARG 16 HB3 ARG 16 -8.380 -8.349 4.612 147 HB3 ARG 16 HB2 ARG 16 -9.366 -6.901 4.468 148 HG2 ARG 16 HG3 ARG 16 -9.278 -7.401 6.761 149 HG3 ARG 16 HG2 ARG 16 -10.880 -7.906 6.220 150 HD2 ARG 16 HD3 ARG 16 -10.475 -9.926 7.046 151 HD3 ARG 16 HD2 ARG 16 -9.188 -10.122 5.858 152 HE ARG 16 HE ARG 16 -8.386 -8.669 8.204 153 HH11 ARG 16 HH11 ARG 16 -8.769 -11.838 6.793 154 HH12 ARG 16 HH12 ARG 16 -7.599 -12.578 7.832 155 HH21 ARG 16 HH22 ARG 16 -6.846 -9.642 9.572 156 HH22 ARG 16 HH21 ARG 16 -6.507 -11.333 9.410 157 H VAL 17 H VAL 17 -12.523 -8.882 2.528 158 HA VAL 17 HA VAL 17 -12.207 -6.357 1.049 159 HB VAL 17 HB VAL 17 -14.184 -8.552 0.439 160 HG11 VAL 17 HG11 VAL 17 -13.243 -6.899 -1.752 161 HG12 VAL 17 HG12 VAL 17 -14.000 -5.946 -0.475 162 HG13 VAL 17 HG13 VAL 17 -14.890 -7.264 -1.237 163 HG21 VAL 17 HG21 VAL 17 -11.384 -8.688 0.169 164 HG22 VAL 17 HG22 VAL 17 -12.032 -8.426 -1.450 165 HG23 VAL 17 HG23 VAL 17 -12.590 -9.794 -0.487 166 H LEU 18 H LEU 18 -13.100 -6.562 3.834 167 HA LEU 18 HA LEU 18 -15.877 -5.621 3.561 168 HB2 LEU 18 HB3 LEU 18 -15.548 -7.581 5.029 169 HB3 LEU 18 HB2 LEU 18 -14.453 -6.639 6.021 170 HG LEU 18 HG LEU 18 -16.489 -5.034 6.300 171 HD11 LEU 18 HD11 LEU 18 -17.783 -6.364 4.548 172 HD12 LEU 18 HD12 LEU 18 -18.628 -5.949 6.040 173 HD13 LEU 18 HD13 LEU 18 -17.998 -7.580 5.807 174 HD21 LEU 18 HD21 LEU 18 -15.348 -6.735 7.933 175 HD22 LEU 18 HD22 LEU 18 -16.845 -7.640 7.704 176 HD23 LEU 18 HD23 LEU 18 -16.896 -5.996 8.344 177 H ALA 19 H ALA 19 -14.909 -3.569 2.825 178 HA ALA 19 HA ALA 19 -14.409 -1.376 3.163 179 HB1 ALA 19 HB1 ALA 19 -15.015 -0.360 5.262 180 HB2 ALA 19 HB2 ALA 19 -15.031 -1.933 6.060 181 HB3 ALA 19 HB3 ALA 19 -16.233 -1.558 4.825 182 H THR 20 H THR 20 -12.398 -3.639 3.691 183 HA THR 20 HA THR 20 -10.228 -3.881 4.330 184 HB THR 20 HB THR 20 -10.224 -0.874 4.003 185 HG1 THR 20 HG1 THR 20 -9.890 -3.002 2.175 186 HG21 THR 20 HG21 THR 20 -7.886 -2.672 3.519 187 HG22 THR 20 HG22 THR 20 -8.197 -1.985 5.114 188 HG23 THR 20 HG23 THR 20 -7.925 -0.921 3.733 189 H ASP 21 H ASP 21 -10.246 -4.612 6.397 190 HA ASP 21 HA ASP 21 -10.814 -2.935 8.641 191 HB2 ASP 21 HB3 ASP 21 -10.867 -5.617 8.253 192 HB3 ASP 21 HB2 ASP 21 -9.334 -5.453 9.104 193 H MET 22 H MET 22 -8.019 -3.499 6.766 194 HA MET 22 HA MET 22 -5.939 -3.322 8.574 195 HB2 MET 22 HB3 MET 22 -6.312 -2.805 5.724 196 HB3 MET 22 HB2 MET 22 -5.056 -1.803 6.437 197 HG2 MET 22 HG3 MET 22 -4.270 -4.088 7.463 198 HG3 MET 22 HG2 MET 22 -5.172 -4.753 6.103 199 HE1 MET 22 HE1 MET 22 -1.752 -5.032 6.502 200 HE2 MET 22 HE2 MET 22 -1.615 -5.167 4.748 201 HE3 MET 22 HE3 MET 22 -2.978 -5.909 5.586 202 H CYS 23 H CYS 23 -8.068 -0.805 7.400 203 HA CYS 23 HA CYS 23 -6.512 1.364 8.446 204 HB2 CYS 23 HB3 CYS 23 -8.401 2.764 7.847 205 HB3 CYS 23 HB2 CYS 23 -8.070 1.636 6.538 206 HG CYS 23 HG CYS 23 -10.592 1.562 6.822 207 H ASN 24 H ASN 24 -8.911 -0.790 9.701 208 HA ASN 24 HA ASN 24 -9.509 0.898 11.984 209 HB2 ASN 24 HB3 ASN 24 -10.655 -1.495 10.758 210 HB3 ASN 24 HB2 ASN 24 -10.599 -1.588 12.515 211 HD21 ASN 24 HD22 ASN 24 -11.531 0.233 13.702 212 HD22 ASN 24 HD21 ASN 24 -12.905 1.039 13.032 213 H VAL 25 H VAL 25 -7.776 -2.108 11.290 214 HA VAL 25 HA VAL 25 -7.117 -2.746 13.956 215 HB VAL 25 HB VAL 25 -5.340 -4.171 12.990 216 HG11 VAL 25 HG11 VAL 25 -7.948 -4.382 11.491 217 HG12 VAL 25 HG12 VAL 25 -7.689 -4.933 13.146 218 HG13 VAL 25 HG13 VAL 25 -6.805 -5.685 11.817 219 HG21 VAL 25 HG21 VAL 25 -5.988 -2.574 10.566 220 HG22 VAL 25 HG22 VAL 25 -5.535 -4.265 10.361 221 HG23 VAL 25 HG23 VAL 25 -4.430 -3.148 11.159 222 H GLY 26 H GLY 26 -5.576 -0.690 11.555 223 HA2 GLY 26 HA3 GLY 26 -4.329 1.229 12.454 224 HA3 GLY 26 HA2 GLY 26 -3.635 0.124 13.631 225 H ALA 27 H ALA 27 -4.061 -0.790 10.292 226 HA ALA 27 HA ALA 27 -1.150 -0.976 10.023 227 HB1 ALA 27 HB1 ALA 27 -3.450 -2.426 8.866 228 HB2 ALA 27 HB2 ALA 27 -1.877 -3.024 9.393 229 HB3 ALA 27 HB3 ALA 27 -2.038 -2.223 7.830 230 H VAL 28 H VAL 28 -3.694 1.041 9.097 231 HA VAL 28 HA VAL 28 -2.341 1.921 6.653 232 HB VAL 28 HB VAL 28 -5.046 2.696 7.759 233 HG11 VAL 28 HG11 VAL 28 -5.277 3.529 5.308 234 HG12 VAL 28 HG12 VAL 28 -3.514 3.581 5.351 235 HG13 VAL 28 HG13 VAL 28 -4.453 4.538 6.497 236 HG21 VAL 28 HG21 VAL 28 -5.383 0.546 7.028 237 HG22 VAL 28 HG22 VAL 28 -4.138 0.657 5.784 238 HG23 VAL 28 HG23 VAL 28 -5.695 1.451 5.547 239 H TRP 29 H TRP 29 -0.766 3.340 7.039 240 HA TRP 29 HA TRP 29 -1.418 5.756 8.539 241 HB2 TRP 29 HB3 TRP 29 0.822 3.869 9.186 242 HB3 TRP 29 HB2 TRP 29 0.984 5.586 9.528 243 HD1 TRP 29 HD1 TRP 29 -1.621 2.801 10.296 244 HE1 TRP 29 HE1 TRP 29 -2.474 3.163 12.697 245 HE3 TRP 29 HE3 TRP 29 1.003 7.030 11.461 246 HZ2 TRP 29 HZ2 TRP 29 -2.086 4.998 14.806 247 HZ3 TRP 29 HZ3 TRP 29 0.705 8.026 13.690 248 HH2 TRP 29 HH2 TRP 29 -0.809 7.031 15.327 249 H LEU 30 H LEU 30 -1.332 7.072 6.814 250 HA LEU 30 HA LEU 30 0.679 6.860 4.787 251 HB2 LEU 30 HB3 LEU 30 -1.686 7.729 4.491 252 HB3 LEU 30 HB2 LEU 30 -1.149 9.203 5.275 253 HG LEU 30 HG LEU 30 0.404 8.252 2.922 254 HD11 LEU 30 HD11 LEU 30 -1.108 8.962 1.321 255 HD12 LEU 30 HD12 LEU 30 -2.075 9.865 2.486 256 HD13 LEU 30 HD13 LEU 30 -2.138 8.102 2.466 257 HD21 LEU 30 HD21 LEU 30 1.335 10.190 3.633 258 HD22 LEU 30 HD22 LEU 30 -0.163 10.771 4.361 259 HD23 LEU 30 HD23 LEU 30 0.073 10.886 2.617 260 H ASN 31 H ASN 31 2.717 7.440 5.117 261 HA ASN 31 HA ASN 31 4.568 8.530 5.872 262 HB2 ASN 31 HB3 ASN 31 3.243 10.282 4.437 263 HB3 ASN 31 HB2 ASN 31 2.987 11.073 5.989 264 HD21 ASN 31 HD22 ASN 31 5.630 9.551 4.172 265 HD22 ASN 31 HD21 ASN 31 6.803 10.766 4.530 266 H GLY 32 H GLY 32 3.241 7.285 7.919 267 HA2 GLY 32 HA3 GLY 32 3.319 7.209 10.219 268 HA3 GLY 32 HA2 GLY 32 4.200 8.729 10.179 269 H SER 33 H SER 33 0.947 7.990 8.978 270 HA SER 33 HA SER 33 -0.271 9.481 11.149 271 HB2 SER 33 HB3 SER 33 -1.203 11.218 9.868 272 HB3 SER 33 HB2 SER 33 0.454 11.110 9.276 273 HG SER 33 HG SER 33 -0.384 10.780 7.390 274 H CYS 34 H CYS 34 -1.981 8.345 11.750 275 HA CYS 34 HA CYS 34 -3.023 6.157 10.404 276 HB2 CYS 34 HB3 CYS 34 -3.361 7.158 12.876 277 HB3 CYS 34 HB2 CYS 34 -4.887 7.661 12.156 278 HG CYS 34 HG CYS 34 -5.109 4.983 11.544 279 H ALA 35 H ALA 35 -4.450 5.876 8.808 280 HA ALA 35 HA ALA 35 -6.276 8.050 8.098 281 HB1 ALA 35 HB1 ALA 35 -5.633 7.401 5.624 282 HB2 ALA 35 HB2 ALA 35 -4.103 6.962 6.382 283 HB3 ALA 35 HB3 ALA 35 -4.715 8.609 6.523 284 H LYS 36 H LYS 36 -8.159 7.391 7.047 285 HA LYS 36 HA LYS 36 -9.126 4.840 7.687 286 HB2 LYS 36 HB3 LYS 36 -10.253 7.186 6.862 287 HB3 LYS 36 HB2 LYS 36 -10.456 6.186 5.430 288 HG2 LYS 36 HG3 LYS 36 -11.926 4.779 6.448 289 HG3 LYS 36 HG2 LYS 36 -11.218 5.018 8.047 290 HD2 LYS 36 HD3 LYS 36 -13.149 6.194 8.334 291 HD3 LYS 36 HD2 LYS 36 -12.141 7.479 7.664 292 HE2 LYS 36 HE3 LYS 36 -13.803 7.739 6.183 293 HE3 LYS 36 HE2 LYS 36 -13.124 6.309 5.406 294 HZ1 LYS 36 HZ1 LYS 36 -15.310 6.303 7.418 295 HZ2 LYS 36 HZ2 LYS 36 -14.669 4.938 6.650 296 HZ3 LYS 36 HZ3 LYS 36 -15.508 6.098 5.751 297 H ALA 37 H ALA 37 -10.443 3.848 5.502 298 HA ALA 37 HA ALA 37 -8.225 2.706 3.975 299 HB1 ALA 37 HB1 ALA 37 -9.558 1.038 4.975 300 HB2 ALA 37 HB2 ALA 37 -9.994 1.038 3.266 301 HB3 ALA 37 HB3 ALA 37 -11.054 1.807 4.447 302 H SER 38 H SER 38 -9.382 5.391 3.436 303 HA SER 38 HA SER 38 -9.766 5.016 0.578 304 HB2 SER 38 HB3 SER 38 -11.885 5.935 2.427 305 HB3 SER 38 HB2 SER 38 -11.680 6.897 0.963 306 HG SER 38 HG SER 38 -12.574 5.349 -0.125 307 H LYS 39 H LYS 39 -7.702 6.132 2.350 308 HA LYS 39 HA LYS 39 -7.819 8.994 1.819 309 HB2 LYS 39 HB3 LYS 39 -6.897 7.734 3.966 310 HB3 LYS 39 HB2 LYS 39 -5.417 7.694 3.018 311 HG2 LYS 39 HG3 LYS 39 -4.967 9.763 3.648 312 HG3 LYS 39 HG2 LYS 39 -6.443 10.323 2.860 313 HD2 LYS 39 HD3 LYS 39 -6.757 9.049 5.511 314 HD3 LYS 39 HD2 LYS 39 -5.970 10.628 5.483 315 HE2 LYS 39 HE3 LYS 39 -8.079 11.056 3.825 316 HE3 LYS 39 HE2 LYS 39 -8.767 9.894 4.959 317 HZ1 LYS 39 HZ1 LYS 39 -7.948 12.644 5.393 318 HZ2 LYS 39 HZ2 LYS 39 -7.559 11.566 6.637 319 HZ3 LYS 39 HZ3 LYS 39 -9.167 11.745 6.144 320 H GLU 40 H GLU 40 -7.036 9.827 0.011 321 HA GLU 40 HA GLU 40 -5.674 8.322 -1.940 322 HB2 GLU 40 HB3 GLU 40 -6.879 10.856 -1.779 323 HB3 GLU 40 HB2 GLU 40 -5.211 11.157 -2.247 324 HG2 GLU 40 HG3 GLU 40 -5.511 10.333 -4.298 325 HG3 GLU 40 HG2 GLU 40 -6.468 8.971 -3.716 326 H VAL 41 H VAL 41 -3.534 8.355 -2.632 327 HA VAL 41 HA VAL 41 -1.606 9.405 -0.663 328 HB VAL 41 HB VAL 41 -0.071 7.598 -1.421 329 HG11 VAL 41 HG11 VAL 41 -0.936 6.919 0.550 330 HG12 VAL 41 HG12 VAL 41 -1.739 5.718 -0.461 331 HG13 VAL 41 HG13 VAL 41 -2.601 7.175 0.032 332 HG21 VAL 41 HG21 VAL 41 -2.520 6.593 -2.871 333 HG22 VAL 41 HG22 VAL 41 -1.019 5.692 -2.654 334 HG23 VAL 41 HG23 VAL 41 -1.029 7.172 -3.613 335 H LYS 42 H LYS 42 0.607 9.773 -1.620 336 HA LYS 42 HA LYS 42 0.413 10.799 -4.372 337 HB2 LYS 42 HB3 LYS 42 2.012 12.632 -3.561 338 HB3 LYS 42 HB2 LYS 42 0.322 12.765 -3.096 339 HG2 LYS 42 HG3 LYS 42 1.815 11.273 -1.134 340 HG3 LYS 42 HG2 LYS 42 2.544 12.854 -1.426 341 HD2 LYS 42 HD3 LYS 42 1.010 13.323 0.242 342 HD3 LYS 42 HD2 LYS 42 0.105 13.727 -1.218 343 HE2 LYS 42 HE3 LYS 42 -1.047 11.616 -1.150 344 HE3 LYS 42 HE2 LYS 42 -0.050 11.071 0.198 345 HZ1 LYS 42 HZ1 LYS 42 -1.091 12.533 1.657 346 HZ2 LYS 42 HZ2 LYS 42 -2.369 11.947 0.715 347 HZ3 LYS 42 HZ3 LYS 42 -1.735 13.486 0.418 348 H ALA 43 H ALA 43 2.563 11.134 -5.395 349 HA ALA 43 HA ALA 43 4.141 8.781 -5.137 350 HB1 ALA 43 HB1 ALA 43 4.250 9.452 -7.293 351 HB2 ALA 43 HB2 ALA 43 5.664 10.331 -6.715 352 HB3 ALA 43 HB3 ALA 43 4.117 11.162 -6.883 353 H GLY 44 H GLY 44 6.187 8.490 -4.321 354 HA2 GLY 44 HA3 GLY 44 8.127 8.961 -3.156 355 HA3 GLY 44 HA2 GLY 44 7.754 10.672 -3.305 356 H ASP 45 H ASP 45 5.476 8.406 -1.944 357 HA ASP 45 HA ASP 45 5.823 9.726 0.661 358 HB2 ASP 45 HB3 ASP 45 3.493 8.857 -0.873 359 HB3 ASP 45 HB2 ASP 45 3.453 8.299 0.797 360 H THR 46 H THR 46 5.292 8.317 2.581 361 HA THR 46 HA THR 46 6.595 5.707 2.222 362 HB THR 46 HB THR 46 6.296 7.391 4.717 363 HG1 THR 46 HG1 THR 46 8.495 6.902 3.000 364 HG21 THR 46 HG21 THR 46 7.179 5.772 5.958 365 HG22 THR 46 HG22 THR 46 8.333 5.315 4.706 366 HG23 THR 46 HG23 THR 46 6.685 4.688 4.657 367 H ILE 47 H ILE 47 5.098 4.172 1.963 368 HA ILE 47 HA ILE 47 2.530 4.307 3.277 369 HB ILE 47 HB ILE 47 3.705 2.055 1.639 370 HG12 ILE 47 HG13 ILE 47 1.925 4.359 0.808 371 HG13 ILE 47 HG12 ILE 47 3.607 4.130 0.343 372 HG21 ILE 47 HG21 ILE 47 1.477 1.231 1.431 373 HG22 ILE 47 HG22 ILE 47 0.813 2.656 2.229 374 HG23 ILE 47 HG23 ILE 47 1.782 1.504 3.146 375 HD11 ILE 47 HD11 ILE 47 3.058 2.766 -1.321 376 HD12 ILE 47 HD12 ILE 47 1.404 3.329 -1.082 377 HD13 ILE 47 HD13 ILE 47 1.948 1.840 -0.310 378 H SER 48 H SER 48 2.627 3.978 5.438 379 HA SER 48 HA SER 48 4.380 1.984 6.573 380 HB2 SER 48 HB3 SER 48 4.015 4.092 7.765 381 HB3 SER 48 HB2 SER 48 2.292 3.739 7.882 382 HG SER 48 HG SER 48 4.409 2.740 9.339 383 H LEU 49 H LEU 49 3.734 0.160 7.752 384 HA LEU 49 HA LEU 49 0.955 -0.670 7.651 385 HB2 LEU 49 HB3 LEU 49 3.165 -2.033 6.148 386 HB3 LEU 49 HB2 LEU 49 1.776 -2.937 6.718 387 HG LEU 49 HG LEU 49 0.599 -0.816 5.421 388 HD11 LEU 49 HD11 LEU 49 2.878 -1.713 3.677 389 HD12 LEU 49 HD12 LEU 49 2.903 -0.210 4.599 390 HD13 LEU 49 HD13 LEU 49 1.682 -0.460 3.350 391 HD21 LEU 49 HD21 LEU 49 1.109 -3.665 4.866 392 HD22 LEU 49 HD22 LEU 49 0.609 -2.687 3.487 393 HD23 LEU 49 HD23 LEU 49 -0.409 -2.772 4.924 394 H HIS 50 H HIS 50 0.411 -2.064 9.278 395 HA HIS 50 HA HIS 50 2.599 -2.828 11.097 396 HB2 HIS 50 HB3 HIS 50 0.459 -1.231 11.667 397 HB3 HIS 50 HB2 HIS 50 -0.136 -2.804 12.188 398 HD1 HIS 50 HD1 HIS 50 1.757 0.006 13.366 399 HD2 HIS 50 HD2 HIS 50 1.812 -4.091 14.058 400 HE1 HIS 50 HE1 HIS 50 3.005 -0.294 15.529 401 HE2 HIS 50 HE2 HIS 50 3.103 -2.787 15.881 402 H TYR 51 H TYR 51 2.924 -4.911 11.515 403 HA TYR 51 HA TYR 51 0.803 -6.832 10.811 404 HB2 TYR 51 HB3 TYR 51 3.787 -7.127 10.406 405 HB3 TYR 51 HB2 TYR 51 2.618 -8.423 10.178 406 HD1 TYR 51 HD2 TYR 51 3.530 -5.030 8.958 407 HD2 TYR 51 HD1 TYR 51 1.543 -8.698 8.121 408 HE1 TYR 51 HE2 TYR 51 3.198 -4.312 6.630 409 HE2 TYR 51 HE1 TYR 51 1.206 -7.991 5.791 410 HH TYR 51 HH TYR 51 1.128 -5.994 4.464 411 H LEU 52 H LEU 52 1.717 -9.128 11.780 412 HA LEU 52 HA LEU 52 1.643 -8.692 14.637 413 HB2 LEU 52 HB3 LEU 52 1.472 -11.160 14.761 414 HB3 LEU 52 HB2 LEU 52 0.233 -10.419 13.768 415 HG LEU 52 HG LEU 52 2.263 -11.041 11.966 416 HD11 LEU 52 HD11 LEU 52 1.959 -13.195 14.040 417 HD12 LEU 52 HD12 LEU 52 3.444 -12.441 13.461 418 HD13 LEU 52 HD13 LEU 52 2.527 -13.510 12.400 419 HD21 LEU 52 HD21 LEU 52 0.615 -12.952 11.403 420 HD22 LEU 52 HD22 LEU 52 0.064 -11.282 11.270 421 HD23 LEU 52 HD23 LEU 52 -0.382 -12.248 12.677 422 H LYS 53 H LYS 53 3.997 -9.450 12.228 423 HA LYS 53 HA LYS 53 5.923 -10.383 14.213 424 HB2 LYS 53 HB3 LYS 53 7.360 -10.900 12.321 425 HB3 LYS 53 HB2 LYS 53 5.760 -11.584 12.069 426 HG2 LYS 53 HG3 LYS 53 5.208 -9.971 10.452 427 HG3 LYS 53 HG2 LYS 53 6.567 -8.940 10.903 428 HD2 LYS 53 HD3 LYS 53 8.111 -10.715 10.112 429 HD3 LYS 53 HD2 LYS 53 6.712 -11.639 9.562 430 HE2 LYS 53 HE3 LYS 53 7.567 -10.488 7.669 431 HE3 LYS 53 HE2 LYS 53 6.086 -9.660 8.150 432 HZ1 LYS 53 HZ1 LYS 53 7.418 -7.869 7.945 433 HZ2 LYS 53 HZ2 LYS 53 8.843 -8.733 8.238 434 HZ3 LYS 53 HZ3 LYS 53 7.856 -8.265 9.530 435 H GLY 54 H GLY 54 5.123 -7.558 12.365 436 HA2 GLY 54 HA3 GLY 54 6.464 -5.710 13.821 437 HA3 GLY 54 HA2 GLY 54 7.700 -6.299 12.722 438 H ILE 55 H ILE 55 7.468 -3.832 12.305 439 HA ILE 55 HA ILE 55 5.328 -3.280 10.380 440 HB ILE 55 HB ILE 55 7.368 -1.342 11.470 441 HG12 ILE 55 HG13 ILE 55 5.244 -0.588 12.807 442 HG13 ILE 55 HG12 ILE 55 4.715 -2.246 12.536 443 HG21 ILE 55 HG21 ILE 55 5.831 -1.027 9.300 444 HG22 ILE 55 HG22 ILE 55 6.275 0.303 10.370 445 HG23 ILE 55 HG23 ILE 55 4.703 -0.475 10.538 446 HD11 ILE 55 HD11 ILE 55 7.442 -2.079 13.523 447 HD12 ILE 55 HD12 ILE 55 6.079 -3.037 14.102 448 HD13 ILE 55 HD13 ILE 55 6.261 -1.360 14.617 449 H GLU 56 H GLU 56 5.692 -2.874 8.252 450 HA GLU 56 HA GLU 56 8.343 -3.543 7.234 451 HB2 GLU 56 HB3 GLU 56 5.586 -3.529 6.125 452 HB3 GLU 56 HB2 GLU 56 6.902 -3.233 4.997 453 HG2 GLU 56 HG3 GLU 56 6.779 -5.609 6.836 454 HG3 GLU 56 HG2 GLU 56 6.176 -5.612 5.179 455 H GLU 57 H GLU 57 5.873 -1.039 6.649 456 HA GLU 57 HA GLU 57 6.031 1.149 6.068 457 HB2 GLU 57 HB3 GLU 57 8.565 0.655 7.525 458 HB3 GLU 57 HB2 GLU 57 8.492 2.113 6.544 459 HG2 GLU 57 HG3 GLU 57 6.489 2.823 7.742 460 HG3 GLU 57 HG2 GLU 57 6.556 1.360 8.722 461 H TYR 58 H TYR 58 5.763 0.935 3.884 462 HA TYR 58 HA TYR 58 8.145 0.567 2.222 463 HB2 TYR 58 HB3 TYR 58 5.244 0.664 1.371 464 HB3 TYR 58 HB2 TYR 58 6.616 0.174 0.382 465 HD1 TYR 58 HD2 TYR 58 4.782 -0.748 3.492 466 HD2 TYR 58 HD1 TYR 58 7.206 -2.075 0.258 467 HE1 TYR 58 HE2 TYR 58 4.460 -3.077 4.215 468 HE2 TYR 58 HE1 TYR 58 6.890 -4.407 0.970 469 HH TYR 58 HH TYR 58 4.543 -5.349 3.193 470 H THR 59 H THR 59 7.806 1.891 0.017 471 HA THR 59 HA THR 59 6.981 4.631 0.586 472 HB THR 59 HB THR 59 9.781 3.853 -0.248 473 HG1 THR 59 HG1 THR 59 9.140 3.932 2.046 474 HG21 THR 59 HG21 THR 59 9.062 5.807 -1.536 475 HG22 THR 59 HG22 THR 59 10.320 6.203 -0.364 476 HG23 THR 59 HG23 THR 59 8.641 6.629 -0.033 477 H ILE 60 H ILE 60 5.971 5.508 -1.106 478 HA ILE 60 HA ILE 60 5.737 4.022 -3.554 479 HB ILE 60 HB ILE 60 4.672 6.787 -2.982 480 HG12 ILE 60 HG13 ILE 60 2.792 4.552 -2.784 481 HG13 ILE 60 HG12 ILE 60 4.054 4.497 -1.559 482 HG21 ILE 60 HG21 ILE 60 4.455 4.910 -5.205 483 HG22 ILE 60 HG22 ILE 60 4.122 6.641 -5.144 484 HG23 ILE 60 HG23 ILE 60 2.896 5.488 -4.618 485 HD11 ILE 60 HD11 ILE 60 1.736 5.870 -1.332 486 HD12 ILE 60 HD12 ILE 60 2.821 7.127 -1.924 487 HD13 ILE 60 HD13 ILE 60 3.215 6.247 -0.448 488 H LEU 61 H LEU 61 6.906 4.253 -5.338 489 HA LEU 61 HA LEU 61 8.876 6.388 -5.475 490 HB2 LEU 61 HB3 LEU 61 8.428 3.925 -7.155 491 HB3 LEU 61 HB2 LEU 61 9.683 5.106 -7.480 492 HG LEU 61 HG LEU 61 9.450 3.409 -4.994 493 HD11 LEU 61 HD11 LEU 61 11.708 3.321 -6.942 494 HD12 LEU 61 HD12 LEU 61 10.223 2.432 -7.283 495 HD13 LEU 61 HD13 LEU 61 11.142 2.085 -5.818 496 HD21 LEU 61 HD21 LEU 61 11.483 5.486 -5.794 497 HD22 LEU 61 HD22 LEU 61 11.678 4.354 -4.455 498 HD23 LEU 61 HD23 LEU 61 10.381 5.549 -4.418 499 H GLN 62 H GLN 62 5.779 5.687 -6.726 500 HA GLN 62 HA GLN 62 5.528 8.133 -8.056 501 HB2 GLN 62 HB3 GLN 62 7.051 6.515 -9.593 502 HB3 GLN 62 HB2 GLN 62 5.453 6.055 -10.163 503 HG2 GLN 62 HG3 GLN 62 5.838 8.940 -9.963 504 HG3 GLN 62 HG2 GLN 62 6.936 8.148 -11.093 505 HE21 GLN 62 HE22 GLN 62 6.191 7.508 -13.024 506 HE22 GLN 62 HE21 GLN 62 4.546 7.637 -13.538 507 H ILE 63 H ILE 63 3.471 8.295 -9.288 508 HA ILE 63 HA ILE 63 1.540 6.227 -8.464 509 HB ILE 63 HB ILE 63 0.974 9.192 -8.540 510 HG12 ILE 63 HG13 ILE 63 2.547 8.614 -6.724 511 HG13 ILE 63 HG12 ILE 63 0.981 9.120 -6.102 512 HG21 ILE 63 HG21 ILE 63 -0.789 7.151 -8.778 513 HG22 ILE 63 HG22 ILE 63 -1.174 8.721 -8.074 514 HG23 ILE 63 HG23 ILE 63 -0.760 7.365 -7.028 515 HD11 ILE 63 HD11 ILE 63 1.892 6.268 -6.385 516 HD12 ILE 63 HD12 ILE 63 0.374 6.821 -5.678 517 HD13 ILE 63 HD13 ILE 63 1.903 7.205 -4.891 518 HA PRO 64 HA PRO 64 1.196 6.695 -13.026 519 HB2 PRO 64 HB2 PRO 64 0.463 4.122 -13.477 520 HB3 PRO 64 HB3 PRO 64 2.150 4.622 -13.302 521 HG2 PRO 64 HG3 PRO 64 0.325 3.378 -11.280 522 HG3 PRO 64 HG2 PRO 64 2.023 3.006 -11.632 523 HD2 PRO 64 HD3 PRO 64 1.275 4.547 -9.536 524 HD3 PRO 64 HD2 PRO 64 2.799 4.802 -10.409 525 H ALA 65 H ALA 65 -0.974 5.934 -10.508 526 HA ALA 65 HA ALA 65 -3.230 6.110 -10.288 527 HB1 ALA 65 HB1 ALA 65 -2.555 8.174 -11.862 528 HB2 ALA 65 HB2 ALA 65 -4.213 7.836 -11.365 529 HB3 ALA 65 HB3 ALA 65 -3.644 7.315 -12.950 530 H LEU 66 H LEU 66 -2.471 3.662 -11.017 531 HA LEU 66 HA LEU 66 -4.154 2.852 -13.277 532 HB2 LEU 66 HB3 LEU 66 -2.294 1.073 -11.722 533 HB3 LEU 66 HB2 LEU 66 -2.944 0.818 -13.329 534 HG LEU 66 HG LEU 66 -1.060 3.083 -12.725 535 HD11 LEU 66 HD11 LEU 66 0.774 1.784 -12.947 536 HD12 LEU 66 HD12 LEU 66 -0.025 0.649 -14.034 537 HD13 LEU 66 HD13 LEU 66 -0.303 0.549 -12.295 538 HD21 LEU 66 HD21 LEU 66 -1.182 1.732 -15.346 539 HD22 LEU 66 HD22 LEU 66 -1.013 3.443 -14.954 540 HD23 LEU 66 HD23 LEU 66 -2.599 2.677 -14.885 541 H LYS 67 H LYS 67 -4.971 0.415 -12.781 542 HA LYS 67 HA LYS 67 -6.601 0.666 -10.342 543 HB2 LYS 67 HB3 LYS 67 -7.392 0.300 -12.982 544 HB3 LYS 67 HB2 LYS 67 -7.528 -1.306 -12.277 545 HG2 LYS 67 HG3 LYS 67 -9.512 -0.690 -11.509 546 HG3 LYS 67 HG2 LYS 67 -8.663 0.369 -10.382 547 HD2 LYS 67 HD3 LYS 67 -9.060 2.248 -11.638 548 HD3 LYS 67 HD2 LYS 67 -9.158 1.345 -13.150 549 HE2 LYS 67 HE3 LYS 67 -11.311 0.342 -12.178 550 HE3 LYS 67 HE2 LYS 67 -11.236 1.658 -11.008 551 HZ1 LYS 67 HZ1 LYS 67 -10.915 3.014 -13.260 552 HZ2 LYS 67 HZ2 LYS 67 -12.436 2.698 -12.588 553 HZ3 LYS 67 HZ3 LYS 67 -11.852 1.735 -13.849 554 H ASN 68 H ASN 68 -4.492 -1.433 -12.175 555 HA ASN 68 HA ASN 68 -3.986 -3.043 -9.850 556 HB2 ASN 68 HB3 ASN 68 -4.581 -5.199 -10.961 557 HB3 ASN 68 HB2 ASN 68 -5.976 -4.188 -10.594 558 HD21 ASN 68 HD22 ASN 68 -6.005 -6.252 -12.467 559 HD22 ASN 68 HD21 ASN 68 -6.249 -5.570 -14.035 560 H VAL 69 H VAL 69 -1.927 -3.695 -9.874 561 HA VAL 69 HA VAL 69 -0.460 -3.507 -12.417 562 HB VAL 69 HB VAL 69 0.727 -3.475 -9.645 563 HG11 VAL 69 HG11 VAL 69 1.845 -2.700 -12.337 564 HG12 VAL 69 HG12 VAL 69 2.271 -4.134 -11.403 565 HG13 VAL 69 HG13 VAL 69 2.680 -2.530 -10.793 566 HG21 VAL 69 HG21 VAL 69 -0.359 -1.488 -9.509 567 HG22 VAL 69 HG22 VAL 69 -0.492 -1.314 -11.259 568 HG23 VAL 69 HG23 VAL 69 1.030 -0.945 -10.450 569 HA PRO 70 HA PRO 70 -0.581 -8.052 -12.146 570 HB2 PRO 70 HB2 PRO 70 1.299 -7.580 -14.417 571 HB3 PRO 70 HB3 PRO 70 -0.061 -8.703 -14.297 572 HG2 PRO 70 HG3 PRO 70 -0.287 -6.451 -15.693 573 HG3 PRO 70 HG2 PRO 70 -1.635 -7.049 -14.708 574 HD2 PRO 70 HD3 PRO 70 0.240 -4.791 -14.188 575 HD3 PRO 70 HD2 PRO 70 -1.474 -4.960 -13.758 576 H ARG 71 H ARG 71 1.244 -9.717 -12.224 577 HA ARG 71 HA ARG 71 3.284 -8.870 -10.376 578 HB2 ARG 71 HB3 ARG 71 3.971 -11.324 -10.545 579 HB3 ARG 71 HB2 ARG 71 2.386 -10.974 -9.864 580 HG2 ARG 71 HG3 ARG 71 1.282 -11.905 -11.596 581 HG3 ARG 71 HG2 ARG 71 2.509 -11.434 -12.773 582 HD2 ARG 71 HD3 ARG 71 4.002 -13.183 -11.711 583 HD3 ARG 71 HD2 ARG 71 2.570 -13.749 -10.851 584 HE ARG 71 HE ARG 71 3.201 -14.151 -13.625 585 HH11 ARG 71 HH11 ARG 71 0.629 -13.990 -11.272 586 HH12 ARG 71 HH12 ARG 71 -0.457 -14.963 -12.207 587 HH21 ARG 71 HH22 ARG 71 1.774 -15.429 -14.857 588 HH22 ARG 71 HH21 ARG 71 0.193 -15.780 -14.241 589 H LYS 72 H LYS 72 4.361 -7.388 -11.850 590 HA LYS 72 HA LYS 72 6.642 -8.595 -13.061 591 HB2 LYS 72 HB3 LYS 72 4.607 -8.670 -14.766 592 HB3 LYS 72 HB2 LYS 72 5.086 -7.001 -15.043 593 HG2 LYS 72 HG3 LYS 72 7.030 -9.284 -15.203 594 HG3 LYS 72 HG2 LYS 72 6.075 -8.744 -16.584 595 HD2 LYS 72 HD3 LYS 72 7.618 -7.195 -16.988 596 HD3 LYS 72 HD2 LYS 72 7.200 -6.428 -15.456 597 HE2 LYS 72 HE3 LYS 72 8.803 -7.998 -14.339 598 HE3 LYS 72 HE2 LYS 72 9.312 -8.520 -15.945 599 HZ1 LYS 72 HZ1 LYS 72 9.938 -6.217 -16.427 600 HZ2 LYS 72 HZ2 LYS 72 10.795 -6.835 -15.105 601 HZ3 LYS 72 HZ3 LYS 72 9.510 -5.764 -14.854 602 H ASP 73 H ASP 73 4.686 -5.627 -13.375 603 HA ASP 73 HA ASP 73 7.123 -4.053 -12.918 604 HB2 ASP 73 HB3 ASP 73 4.436 -3.228 -14.036 605 HB3 ASP 73 HB2 ASP 73 5.809 -2.148 -13.813 606 H THR 74 H THR 74 5.674 -5.412 -10.786 607 HA THR 74 HA THR 74 4.460 -3.194 -9.312 608 HB THR 74 HB THR 74 3.154 -5.209 -9.292 609 HG1 THR 74 HG1 THR 74 3.074 -5.586 -7.054 610 HG21 THR 74 HG21 THR 74 4.057 -7.266 -8.155 611 HG22 THR 74 HG22 THR 74 5.663 -6.572 -8.374 612 HG23 THR 74 HG23 THR 74 4.664 -6.945 -9.780 613 H HIS 75 H HIS 75 7.362 -3.407 -9.824 614 HA HIS 75 HA HIS 75 8.238 -3.346 -7.019 615 HB2 HIS 75 HB3 HIS 75 10.357 -4.370 -7.611 616 HB3 HIS 75 HB2 HIS 75 9.036 -5.427 -8.097 617 HD1 HIS 75 HD1 HIS 75 11.501 -6.068 -9.502 618 HD2 HIS 75 HD2 HIS 75 9.028 -3.010 -10.842 619 HE1 HIS 75 HE1 HIS 75 12.081 -5.750 -11.929 620 HE2 HIS 75 HE2 HIS 75 10.510 -3.956 -12.740 621 H LEU 76 H LEU 76 7.530 -1.372 -9.320 622 HA LEU 76 HA LEU 76 9.935 0.293 -8.977 623 HB2 LEU 76 HB3 LEU 76 8.247 -0.180 -11.404 624 HB3 LEU 76 HB2 LEU 76 9.107 1.337 -11.216 625 HG LEU 76 HG LEU 76 10.478 -1.346 -11.116 626 HD11 LEU 76 HD11 LEU 76 9.223 -0.485 -13.325 627 HD12 LEU 76 HD12 LEU 76 10.735 -1.391 -13.356 628 HD13 LEU 76 HD13 LEU 76 10.757 0.367 -13.501 629 HD21 LEU 76 HD21 LEU 76 11.312 1.477 -10.934 630 HD22 LEU 76 HD22 LEU 76 12.313 0.437 -11.948 631 HD23 LEU 76 HD23 LEU 76 12.048 0.026 -10.253 632 H TYR 77 H TYR 77 6.819 -0.018 -8.056 633 HA TYR 77 HA TYR 77 6.312 2.881 -8.080 634 HB2 TYR 77 HB3 TYR 77 4.354 0.610 -7.677 635 HB3 TYR 77 HB2 TYR 77 3.949 2.324 -7.699 636 HD1 TYR 77 HD2 TYR 77 4.973 3.542 -9.922 637 HD2 TYR 77 HD1 TYR 77 3.833 -0.545 -9.594 638 HE1 TYR 77 HE2 TYR 77 4.658 3.440 -12.358 639 HE2 TYR 77 HE1 TYR 77 3.517 -0.658 -12.030 640 HH TYR 77 HH TYR 77 4.589 1.819 -14.141 641 H ILE 78 H ILE 78 6.798 0.093 -6.073 642 HA ILE 78 HA ILE 78 6.938 1.812 -3.732 643 HB ILE 78 HB ILE 78 4.615 1.042 -3.703 644 HG12 ILE 78 HG13 ILE 78 6.227 -0.416 -1.601 645 HG13 ILE 78 HG12 ILE 78 5.934 1.320 -1.584 646 HG21 ILE 78 HG21 ILE 78 4.568 -0.951 -4.896 647 HG22 ILE 78 HG22 ILE 78 4.295 -1.468 -3.232 648 HG23 ILE 78 HG23 ILE 78 5.889 -1.655 -3.963 649 HD11 ILE 78 HD11 ILE 78 4.352 -0.685 -0.471 650 HD12 ILE 78 HD12 ILE 78 3.461 -0.104 -1.877 651 HD13 ILE 78 HD13 ILE 78 3.965 1.029 -0.623 652 H ALA 79 H ALA 79 8.333 1.070 -2.160 653 HA ALA 79 HA ALA 79 9.458 -1.605 -2.402 654 HB1 ALA 79 HB1 ALA 79 11.796 -0.581 -2.281 655 HB2 ALA 79 HB2 ALA 79 11.033 0.914 -2.822 656 HB3 ALA 79 HB3 ALA 79 10.964 -0.529 -3.835 657 HA PRO 80 HA PRO 80 9.225 -1.365 2.026 658 HB2 PRO 80 HB2 PRO 80 11.595 -3.163 1.922 659 HB3 PRO 80 HB3 PRO 80 10.059 -3.372 2.773 660 HG2 PRO 80 HG3 PRO 80 10.582 -4.747 0.553 661 HG3 PRO 80 HG2 PRO 80 8.957 -4.113 0.872 662 HD2 PRO 80 HD3 PRO 80 11.058 -3.098 -0.993 663 HD3 PRO 80 HD2 PRO 80 9.294 -3.144 -1.194 664 H LYS 81 H LYS 81 9.964 0.269 3.211 665 HA LYS 81 HA LYS 81 12.769 1.101 2.878 666 HB2 LYS 81 HB3 LYS 81 10.499 2.613 2.581 667 HB3 LYS 81 HB2 LYS 81 10.958 2.971 4.240 668 HG2 LYS 81 HG3 LYS 81 13.270 3.074 2.547 669 HG3 LYS 81 HG2 LYS 81 11.988 4.091 1.887 670 HD2 LYS 81 HD3 LYS 81 12.374 4.317 4.792 671 HD3 LYS 81 HD2 LYS 81 13.738 4.869 3.816 672 HE2 LYS 81 HE3 LYS 81 12.170 6.285 2.518 673 HE3 LYS 81 HE2 LYS 81 10.876 5.798 3.611 674 HZ1 LYS 81 HZ1 LYS 81 12.397 6.685 5.435 675 HZ2 LYS 81 HZ2 LYS 81 11.615 7.819 4.452 676 HZ3 LYS 81 HZ3 LYS 81 13.247 7.459 4.194 677 H THR 82 H THR 82 13.294 2.541 5.034 678 HA THR 82 HA THR 82 13.929 2.441 7.215 679 HB THR 82 HB THR 82 11.434 0.767 7.565 680 HG1 THR 82 HG1 THR 82 10.341 2.589 7.651 681 HG21 THR 82 HG21 THR 82 12.919 0.692 9.511 682 HG22 THR 82 HG22 THR 82 11.415 1.550 9.845 683 HG23 THR 82 HG23 THR 82 12.905 2.454 9.573 684 H LYS 83 H LYS 83 14.910 1.051 8.806 685 HA LYS 83 HA LYS 83 15.139 -1.772 8.112 686 HB2 LYS 83 HB3 LYS 83 17.627 -0.120 8.510 687 HB3 LYS 83 HB2 LYS 83 17.507 -1.778 7.938 688 HG2 LYS 83 HG3 LYS 83 16.595 -1.070 5.850 689 HG3 LYS 83 HG2 LYS 83 16.434 0.590 6.424 690 HD2 LYS 83 HD3 LYS 83 18.515 1.056 5.790 691 HD3 LYS 83 HD2 LYS 83 19.146 -0.283 6.753 692 HE2 LYS 83 HE3 LYS 83 19.777 -0.544 4.423 693 HE3 LYS 83 HE2 LYS 83 18.664 -1.823 4.905 694 HZ1 LYS 83 HZ1 LYS 83 18.029 -0.997 2.769 695 HZ2 LYS 83 HZ2 LYS 83 18.002 0.601 3.324 696 HZ3 LYS 83 HZ3 LYS 83 16.858 -0.510 3.887 697 H GLU 84 H GLU 84 14.083 -2.206 10.058 698 HA GLU 84 HA GLU 84 14.791 -1.142 12.559 699 HB2 GLU 84 HB3 GLU 84 13.586 -3.862 12.033 700 HB3 GLU 84 HB2 GLU 84 13.477 -2.929 13.519 701 HG2 GLU 84 HG3 GLU 84 12.484 -1.537 11.145 702 HG3 GLU 84 HG2 GLU 84 11.589 -2.995 11.569 Start of MODEL 19 1 H1 MET 1 H1 MET 1 -3.403 7.988 -7.234 2 H2 MET 1 H2 MET 1 -3.125 8.470 -5.612 3 H3 MET 1 H3 MET 1 -4.653 8.754 -6.341 4 HA MET 1 HA MET 1 -5.187 6.527 -6.374 5 HB2 MET 1 HB3 MET 1 -2.570 6.125 -6.878 6 HB3 MET 1 HB2 MET 1 -2.614 5.642 -5.188 7 HG2 MET 1 HG3 MET 1 -3.573 3.705 -5.677 8 HG3 MET 1 HG2 MET 1 -4.803 4.484 -6.669 9 HE1 MET 1 HE1 MET 1 -2.050 1.638 -7.339 10 HE2 MET 1 HE2 MET 1 -3.324 1.467 -8.547 11 HE3 MET 1 HE3 MET 1 -3.742 1.794 -6.865 12 H ARG 2 H ARG 2 -4.822 4.844 -4.291 13 HA ARG 2 HA ARG 2 -5.070 6.531 -1.890 14 HB2 ARG 2 HB3 ARG 2 -6.772 4.092 -2.373 15 HB3 ARG 2 HB2 ARG 2 -6.987 5.344 -1.159 16 HG2 ARG 2 HG3 ARG 2 -8.274 6.529 -2.517 17 HG3 ARG 2 HG2 ARG 2 -7.049 6.501 -3.787 18 HD2 ARG 2 HD3 ARG 2 -8.265 5.064 -4.964 19 HD3 ARG 2 HD2 ARG 2 -8.264 3.923 -3.620 20 HE ARG 2 HE ARG 2 -10.398 4.576 -3.103 21 HH11 ARG 2 HH11 ARG 2 -9.006 6.891 -5.312 22 HH12 ARG 2 HH12 ARG 2 -10.497 7.735 -5.565 23 HH21 ARG 2 HH22 ARG 2 -12.360 5.684 -3.433 24 HH22 ARG 2 HH21 ARG 2 -12.402 7.051 -4.497 25 H ILE 3 H ILE 3 -5.661 4.243 -0.199 26 HA ILE 3 HA ILE 3 -3.012 2.949 -0.214 27 HB ILE 3 HB ILE 3 -3.356 4.449 1.694 28 HG12 ILE 3 HG13 ILE 3 -2.098 2.186 1.771 29 HG13 ILE 3 HG12 ILE 3 -2.439 3.015 3.280 30 HG21 ILE 3 HG21 ILE 3 -5.120 3.104 3.357 31 HG22 ILE 3 HG22 ILE 3 -5.924 3.128 1.789 32 HG23 ILE 3 HG23 ILE 3 -5.401 4.638 2.534 33 HD11 ILE 3 HD11 ILE 3 -3.063 0.379 2.580 34 HD12 ILE 3 HD12 ILE 3 -4.596 1.246 2.654 35 HD13 ILE 3 HD13 ILE 3 -3.517 1.245 4.047 36 H ASP 4 H ASP 4 -6.443 2.463 -0.097 37 HA ASP 4 HA ASP 4 -6.325 -0.264 0.764 38 HB2 ASP 4 HB3 ASP 4 -8.312 1.198 1.108 39 HB3 ASP 4 HB2 ASP 4 -8.587 1.177 -0.631 40 H LYS 5 H LYS 5 -6.903 1.316 -2.377 41 HA LYS 5 HA LYS 5 -6.776 -1.257 -3.723 42 HB2 LYS 5 HB3 LYS 5 -7.552 1.515 -4.504 43 HB3 LYS 5 HB2 LYS 5 -7.071 0.388 -5.764 44 HG2 LYS 5 HG3 LYS 5 -9.071 -0.554 -5.739 45 HG3 LYS 5 HG2 LYS 5 -8.921 -0.905 -4.016 46 HD2 LYS 5 HD3 LYS 5 -10.901 0.449 -4.461 47 HD3 LYS 5 HD2 LYS 5 -9.732 1.345 -3.489 48 HE2 LYS 5 HE3 LYS 5 -10.160 2.966 -5.006 49 HE3 LYS 5 HE2 LYS 5 -8.938 2.098 -5.934 50 HZ1 LYS 5 HZ1 LYS 5 -11.675 1.166 -6.236 51 HZ2 LYS 5 HZ2 LYS 5 -10.456 1.347 -7.397 52 HZ3 LYS 5 HZ3 LYS 5 -11.342 2.693 -6.883 53 H PHE 6 H PHE 6 -4.500 0.972 -2.733 54 HA PHE 6 HA PHE 6 -2.845 0.870 -5.094 55 HB2 PHE 6 HB3 PHE 6 -2.895 2.866 -3.663 56 HB3 PHE 6 HB2 PHE 6 -2.202 1.932 -2.341 57 HD1 PHE 6 HD1 PHE 6 -1.533 2.987 -5.842 58 HD2 PHE 6 HD2 PHE 6 0.098 1.818 -2.091 59 HE1 PHE 6 HE1 PHE 6 0.724 3.526 -6.660 60 HE2 PHE 6 HE2 PHE 6 2.359 2.355 -2.903 61 HZ PHE 6 HZ PHE 6 2.673 3.210 -5.190 62 H LEU 7 H LEU 7 -2.025 0.001 -1.723 63 HA LEU 7 HA LEU 7 0.080 -1.712 -2.596 64 HB2 LEU 7 HB3 LEU 7 0.316 -2.293 -0.219 65 HB3 LEU 7 HB2 LEU 7 0.287 -0.563 -0.498 66 HG LEU 7 HG LEU 7 -2.245 -0.764 0.092 67 HD11 LEU 7 HD11 LEU 7 -1.104 -3.329 1.162 68 HD12 LEU 7 HD12 LEU 7 -2.546 -3.095 0.176 69 HD13 LEU 7 HD13 LEU 7 -2.533 -2.565 1.857 70 HD21 LEU 7 HD21 LEU 7 -1.475 -0.814 2.608 71 HD22 LEU 7 HD22 LEU 7 -1.047 0.530 1.549 72 HD23 LEU 7 HD23 LEU 7 0.131 -0.739 1.884 73 H GLN 8 H GLN 8 -3.250 -2.160 -2.275 74 HA GLN 8 HA GLN 8 -3.067 -5.014 -1.772 75 HB2 GLN 8 HB3 GLN 8 -5.450 -3.247 -2.311 76 HB3 GLN 8 HB2 GLN 8 -5.526 -4.934 -1.821 77 HG2 GLN 8 HG3 GLN 8 -4.227 -4.226 0.247 78 HG3 GLN 8 HG2 GLN 8 -4.594 -2.566 -0.229 79 HE21 GLN 8 HE22 GLN 8 -5.445 -3.508 2.176 80 HE22 GLN 8 HE21 GLN 8 -7.161 -3.698 2.167 81 H SER 9 H SER 9 -3.372 -2.829 -4.440 82 HA SER 9 HA SER 9 -4.158 -5.002 -6.241 83 HB2 SER 9 HB3 SER 9 -3.874 -2.058 -6.868 84 HB3 SER 9 HB2 SER 9 -4.626 -3.290 -7.879 85 HG SER 9 HG SER 9 -6.347 -3.333 -6.590 86 H VAL 10 H VAL 10 -1.499 -2.847 -5.509 87 HA VAL 10 HA VAL 10 0.068 -3.021 -7.757 88 HB VAL 10 HB VAL 10 2.057 -2.905 -6.210 89 HG11 VAL 10 HG11 VAL 10 -0.184 -1.022 -6.394 90 HG12 VAL 10 HG12 VAL 10 1.534 -0.779 -6.704 91 HG13 VAL 10 HG13 VAL 10 0.921 -0.726 -5.052 92 HG21 VAL 10 HG21 VAL 10 1.457 -2.444 -3.798 93 HG22 VAL 10 HG22 VAL 10 1.338 -4.125 -4.319 94 HG23 VAL 10 HG23 VAL 10 -0.121 -3.149 -4.150 95 H GLY 11 H GLY 11 -0.045 -5.336 -5.064 96 HA2 GLY 11 HA3 GLY 11 0.031 -7.705 -6.216 97 HA3 GLY 11 HA2 GLY 11 1.670 -7.173 -6.560 98 H LEU 12 H LEU 12 -0.268 -6.632 -3.647 99 HA LEU 12 HA LEU 12 1.695 -8.223 -2.135 100 HB2 LEU 12 HB3 LEU 12 0.835 -5.459 -1.826 101 HB3 LEU 12 HB2 LEU 12 0.628 -6.382 -0.352 102 HG LEU 12 HG LEU 12 3.218 -6.125 -1.881 103 HD11 LEU 12 HD11 LEU 12 3.805 -4.381 -0.584 104 HD12 LEU 12 HD12 LEU 12 2.938 -4.995 0.823 105 HD13 LEU 12 HD13 LEU 12 2.061 -4.152 -0.454 106 HD21 LEU 12 HD21 LEU 12 2.342 -7.735 0.438 107 HD22 LEU 12 HD22 LEU 12 3.914 -6.948 0.572 108 HD23 LEU 12 HD23 LEU 12 3.594 -8.057 -0.762 109 H VAL 13 H VAL 13 -1.578 -6.830 -1.996 110 HA VAL 13 HA VAL 13 -2.428 -9.122 -0.363 111 HB VAL 13 HB VAL 13 -3.936 -6.551 -0.847 112 HG11 VAL 13 HG11 VAL 13 -5.553 -7.331 0.520 113 HG12 VAL 13 HG12 VAL 13 -4.413 -8.209 1.542 114 HG13 VAL 13 HG13 VAL 13 -4.933 -8.900 0.004 115 HG21 VAL 13 HG21 VAL 13 -2.098 -7.331 1.410 116 HG22 VAL 13 HG22 VAL 13 -3.235 -5.984 1.486 117 HG23 VAL 13 HG23 VAL 13 -1.925 -5.968 0.305 118 H LYS 14 H LYS 14 -3.793 -10.604 -1.161 119 HA LYS 14 HA LYS 14 -4.760 -10.232 -3.897 120 HB2 LYS 14 HB3 LYS 14 -3.525 -12.360 -2.698 121 HB3 LYS 14 HB2 LYS 14 -5.216 -12.834 -2.609 122 HG2 LYS 14 HG3 LYS 14 -5.074 -12.006 -5.174 123 HG3 LYS 14 HG2 LYS 14 -3.434 -12.608 -4.932 124 HD2 LYS 14 HD3 LYS 14 -4.108 -14.756 -4.775 125 HD3 LYS 14 HD2 LYS 14 -5.579 -14.337 -3.895 126 HE2 LYS 14 HE3 LYS 14 -6.815 -14.203 -5.772 127 HE3 LYS 14 HE2 LYS 14 -5.513 -13.456 -6.697 128 HZ1 LYS 14 HZ1 LYS 14 -4.554 -15.915 -6.401 129 HZ2 LYS 14 HZ2 LYS 14 -5.509 -15.446 -7.716 130 HZ3 LYS 14 HZ3 LYS 14 -6.209 -16.260 -6.410 131 H ARG 15 H ARG 15 -6.067 -8.863 -1.720 132 HA ARG 15 HA ARG 15 -8.160 -8.390 -0.968 133 HB2 ARG 15 HB3 ARG 15 -8.712 -8.497 -3.359 134 HB3 ARG 15 HB2 ARG 15 -8.993 -10.227 -3.221 135 HG2 ARG 15 HG3 ARG 15 -10.764 -9.615 -1.482 136 HG3 ARG 15 HG2 ARG 15 -10.616 -7.971 -2.105 137 HD2 ARG 15 HD3 ARG 15 -11.681 -8.468 -4.025 138 HD3 ARG 15 HD2 ARG 15 -10.917 -10.051 -4.156 139 HE ARG 15 HE ARG 15 -12.759 -10.148 -2.060 140 HH11 ARG 15 HH11 ARG 15 -12.738 -9.781 -5.532 141 HH12 ARG 15 HH12 ARG 15 -14.299 -10.500 -5.742 142 HH21 ARG 15 HH22 ARG 15 -14.811 -11.094 -2.337 143 HH22 ARG 15 HH21 ARG 15 -15.476 -11.245 -3.929 144 H ARG 16 H ARG 16 -8.620 -9.143 0.988 145 HA ARG 16 HA ARG 16 -8.990 -12.027 1.366 146 HB2 ARG 16 HB3 ARG 16 -7.363 -10.776 2.804 147 HB3 ARG 16 HB2 ARG 16 -8.720 -9.882 3.476 148 HG2 ARG 16 HG3 ARG 16 -9.216 -11.525 4.885 149 HG3 ARG 16 HG2 ARG 16 -9.164 -12.735 3.603 150 HD2 ARG 16 HD3 ARG 16 -7.372 -13.516 4.702 151 HD3 ARG 16 HD2 ARG 16 -6.520 -12.180 3.931 152 HE ARG 16 HE ARG 16 -7.323 -12.374 6.717 153 HH11 ARG 16 HH11 ARG 16 -6.045 -10.366 4.159 154 HH12 ARG 16 HH12 ARG 16 -5.368 -9.203 5.245 155 HH21 ARG 16 HH22 ARG 16 -6.431 -10.841 8.139 156 HH22 ARG 16 HH21 ARG 16 -5.586 -9.471 7.502 157 H VAL 17 H VAL 17 -10.510 -8.945 2.306 158 HA VAL 17 HA VAL 17 -13.104 -10.340 2.322 159 HB VAL 17 HB VAL 17 -13.787 -8.703 4.142 160 HG11 VAL 17 HG11 VAL 17 -13.023 -10.130 5.898 161 HG12 VAL 17 HG12 VAL 17 -11.657 -10.682 4.930 162 HG13 VAL 17 HG13 VAL 17 -13.300 -11.132 4.473 163 HG21 VAL 17 HG21 VAL 17 -12.294 -7.372 5.197 164 HG22 VAL 17 HG22 VAL 17 -11.444 -7.481 3.655 165 HG23 VAL 17 HG23 VAL 17 -10.969 -8.518 5.001 166 H LEU 18 H LEU 18 -14.918 -8.538 2.453 167 HA LEU 18 HA LEU 18 -14.485 -6.867 0.116 168 HB2 LEU 18 HB3 LEU 18 -16.518 -8.243 0.299 169 HB3 LEU 18 HB2 LEU 18 -16.983 -7.357 1.739 170 HG LEU 18 HG LEU 18 -16.503 -5.649 -0.599 171 HD11 LEU 18 HD11 LEU 18 -17.588 -7.877 -1.430 172 HD12 LEU 18 HD12 LEU 18 -18.220 -6.322 -1.966 173 HD13 LEU 18 HD13 LEU 18 -19.041 -7.210 -0.684 174 HD21 LEU 18 HD21 LEU 18 -17.595 -5.208 1.749 175 HD22 LEU 18 HD22 LEU 18 -19.046 -5.803 0.942 176 HD23 LEU 18 HD23 LEU 18 -18.195 -4.396 0.303 177 H ALA 19 H ALA 19 -14.956 -6.547 3.561 178 HA ALA 19 HA ALA 19 -15.165 -3.639 3.353 179 HB1 ALA 19 HB1 ALA 19 -16.186 -3.669 5.354 180 HB2 ALA 19 HB2 ALA 19 -15.056 -4.842 6.030 181 HB3 ALA 19 HB3 ALA 19 -16.397 -5.388 5.022 182 H THR 20 H THR 20 -13.715 -2.229 4.409 183 HA THR 20 HA THR 20 -10.986 -3.196 4.431 184 HB THR 20 HB THR 20 -11.282 -1.097 3.365 185 HG1 THR 20 HG1 THR 20 -9.610 -0.280 4.308 186 HG21 THR 20 HG21 THR 20 -12.961 0.237 3.895 187 HG22 THR 20 HG22 THR 20 -12.050 0.729 5.323 188 HG23 THR 20 HG23 THR 20 -13.209 -0.596 5.430 189 H ASP 21 H ASP 21 -10.118 -4.050 6.186 190 HA ASP 21 HA ASP 21 -11.072 -3.161 8.823 191 HB2 ASP 21 HB3 ASP 21 -10.010 -5.766 7.803 192 HB3 ASP 21 HB2 ASP 21 -9.796 -5.363 9.504 193 H MET 22 H MET 22 -8.297 -3.433 6.758 194 HA MET 22 HA MET 22 -6.218 -3.233 8.594 195 HB2 MET 22 HB3 MET 22 -6.572 -2.496 5.732 196 HB3 MET 22 HB2 MET 22 -5.165 -1.855 6.571 197 HG2 MET 22 HG3 MET 22 -4.576 -3.891 5.446 198 HG3 MET 22 HG2 MET 22 -4.519 -4.146 7.189 199 HE1 MET 22 HE1 MET 22 -5.307 -7.484 6.604 200 HE2 MET 22 HE2 MET 22 -4.130 -6.327 5.982 201 HE3 MET 22 HE3 MET 22 -5.283 -7.087 4.885 202 H CYS 23 H CYS 23 -8.331 -0.754 7.271 203 HA CYS 23 HA CYS 23 -6.867 1.464 8.291 204 HB2 CYS 23 HB3 CYS 23 -8.839 2.781 7.724 205 HB3 CYS 23 HB2 CYS 23 -8.453 1.668 6.417 206 HG CYS 23 HG CYS 23 -11.036 1.654 6.898 207 H ASN 24 H ASN 24 -9.248 -0.690 9.623 208 HA ASN 24 HA ASN 24 -9.806 1.026 11.890 209 HB2 ASN 24 HB3 ASN 24 -10.912 -1.456 10.768 210 HB3 ASN 24 HB2 ASN 24 -10.880 -1.416 12.529 211 HD21 ASN 24 HD22 ASN 24 -12.604 -0.595 13.447 212 HD22 ASN 24 HD21 ASN 24 -13.688 0.552 12.746 213 H VAL 25 H VAL 25 -8.229 -2.114 11.328 214 HA VAL 25 HA VAL 25 -7.455 -2.622 13.961 215 HB VAL 25 HB VAL 25 -5.746 -4.118 13.027 216 HG11 VAL 25 HG11 VAL 25 -8.560 -4.125 12.154 217 HG12 VAL 25 HG12 VAL 25 -7.638 -5.345 13.034 218 HG13 VAL 25 HG13 VAL 25 -7.484 -5.216 11.282 219 HG21 VAL 25 HG21 VAL 25 -4.768 -3.156 11.197 220 HG22 VAL 25 HG22 VAL 25 -6.294 -2.536 10.569 221 HG23 VAL 25 HG23 VAL 25 -5.898 -4.245 10.393 222 H GLY 26 H GLY 26 -5.918 -0.694 11.447 223 HA2 GLY 26 HA3 GLY 26 -4.645 1.255 12.236 224 HA3 GLY 26 HA2 GLY 26 -3.954 0.204 13.464 225 H ALA 27 H ALA 27 -4.415 -0.895 10.188 226 HA ALA 27 HA ALA 27 -1.543 -1.269 9.929 227 HB1 ALA 27 HB1 ALA 27 -3.738 -2.758 9.145 228 HB2 ALA 27 HB2 ALA 27 -2.063 -3.033 8.669 229 HB3 ALA 27 HB3 ALA 27 -3.128 -2.081 7.635 230 H VAL 28 H VAL 28 -4.104 0.691 8.597 231 HA VAL 28 HA VAL 28 -2.572 1.664 6.372 232 HB VAL 28 HB VAL 28 -5.059 2.879 7.582 233 HG11 VAL 28 HG11 VAL 28 -3.989 4.412 6.101 234 HG12 VAL 28 HG12 VAL 28 -5.369 3.721 5.246 235 HG13 VAL 28 HG13 VAL 28 -3.738 3.155 4.889 236 HG21 VAL 28 HG21 VAL 28 -4.761 0.725 5.494 237 HG22 VAL 28 HG22 VAL 28 -6.256 1.613 5.791 238 HG23 VAL 28 HG23 VAL 28 -5.566 0.600 7.059 239 H TRP 29 H TRP 29 -0.998 3.103 6.488 240 HA TRP 29 HA TRP 29 -1.209 5.347 8.336 241 HB2 TRP 29 HB3 TRP 29 0.899 3.234 8.442 242 HB3 TRP 29 HB2 TRP 29 1.355 4.897 8.796 243 HD1 TRP 29 HD1 TRP 29 -1.378 2.402 9.992 244 HE1 TRP 29 HE1 TRP 29 -1.700 2.743 12.522 245 HE3 TRP 29 HE3 TRP 29 1.907 6.250 10.717 246 HZ2 TRP 29 HZ2 TRP 29 -0.693 4.420 14.557 247 HZ3 TRP 29 HZ3 TRP 29 2.170 7.166 12.986 248 HH2 TRP 29 HH2 TRP 29 0.895 6.270 14.865 249 H LEU 30 H LEU 30 -1.070 7.033 7.019 250 HA LEU 30 HA LEU 30 0.770 6.910 4.732 251 HB2 LEU 30 HB3 LEU 30 -1.878 7.997 5.128 252 HB3 LEU 30 HB2 LEU 30 -0.784 9.236 4.540 253 HG LEU 30 HG LEU 30 -0.142 7.454 2.746 254 HD11 LEU 30 HD11 LEU 30 -2.403 6.214 2.227 255 HD12 LEU 30 HD12 LEU 30 -2.611 6.338 3.973 256 HD13 LEU 30 HD13 LEU 30 -1.203 5.510 3.309 257 HD21 LEU 30 HD21 LEU 30 -1.087 9.346 1.875 258 HD22 LEU 30 HD22 LEU 30 -2.522 9.234 2.895 259 HD23 LEU 30 HD23 LEU 30 -2.347 8.172 1.498 260 H ASN 31 H ASN 31 2.559 8.105 4.703 261 HA ASN 31 HA ASN 31 4.192 9.554 5.336 262 HB2 ASN 31 HB3 ASN 31 1.824 11.052 5.030 263 HB3 ASN 31 HB2 ASN 31 2.592 11.656 6.495 264 HD21 ASN 31 HD22 ASN 31 5.262 11.219 5.777 265 HD22 ASN 31 HD21 ASN 31 5.669 12.313 4.504 266 H GLY 32 H GLY 32 3.423 7.580 7.236 267 HA2 GLY 32 HA3 GLY 32 3.979 7.025 9.398 268 HA3 GLY 32 HA2 GLY 32 4.724 8.610 9.544 269 H SER 33 H SER 33 1.367 8.179 8.673 270 HA SER 33 HA SER 33 0.522 8.860 11.393 271 HB2 SER 33 HB3 SER 33 0.747 10.828 9.499 272 HB3 SER 33 HB2 SER 33 -0.937 10.341 9.308 273 HG SER 33 HG SER 33 -1.178 10.668 11.580 274 H CYS 34 H CYS 34 -1.515 8.140 11.949 275 HA CYS 34 HA CYS 34 -2.501 5.871 10.660 276 HB2 CYS 34 HB3 CYS 34 -4.466 6.106 12.142 277 HB3 CYS 34 HB2 CYS 34 -2.948 6.305 13.010 278 HG CYS 34 HG CYS 34 -3.563 9.005 12.649 279 H ALA 35 H ALA 35 -3.638 5.633 8.863 280 HA ALA 35 HA ALA 35 -5.292 7.892 7.935 281 HB1 ALA 35 HB1 ALA 35 -3.860 7.879 6.203 282 HB2 ALA 35 HB2 ALA 35 -4.815 6.500 5.658 283 HB3 ALA 35 HB3 ALA 35 -3.308 6.238 6.536 284 H LYS 36 H LYS 36 -7.188 7.326 6.687 285 HA LYS 36 HA LYS 36 -8.464 4.926 7.742 286 HB2 LYS 36 HB3 LYS 36 -9.360 7.506 7.337 287 HB3 LYS 36 HB2 LYS 36 -10.074 6.630 5.990 288 HG2 LYS 36 HG3 LYS 36 -11.496 5.496 7.308 289 HG3 LYS 36 HG2 LYS 36 -10.316 5.315 8.607 290 HD2 LYS 36 HD3 LYS 36 -10.789 8.005 8.645 291 HD3 LYS 36 HD2 LYS 36 -12.371 7.363 8.198 292 HE2 LYS 36 HE3 LYS 36 -12.057 5.738 10.148 293 HE3 LYS 36 HE2 LYS 36 -10.744 6.798 10.658 294 HZ1 LYS 36 HZ1 LYS 36 -13.450 7.855 10.121 295 HZ2 LYS 36 HZ2 LYS 36 -12.206 8.550 11.034 296 HZ3 LYS 36 HZ3 LYS 36 -13.045 7.208 11.630 297 H ALA 37 H ALA 37 -10.381 4.511 5.745 298 HA ALA 37 HA ALA 37 -8.734 3.157 3.749 299 HB1 ALA 37 HB1 ALA 37 -11.630 2.857 4.518 300 HB2 ALA 37 HB2 ALA 37 -10.306 1.739 4.845 301 HB3 ALA 37 HB3 ALA 37 -10.871 1.978 3.191 302 H SER 38 H SER 38 -9.273 6.076 3.677 303 HA SER 38 HA SER 38 -10.089 6.199 0.897 304 HB2 SER 38 HB3 SER 38 -11.764 7.181 3.112 305 HB3 SER 38 HB2 SER 38 -11.490 8.357 1.827 306 HG SER 38 HG SER 38 -12.206 6.719 0.347 307 H LYS 39 H LYS 39 -7.652 6.633 2.505 308 HA LYS 39 HA LYS 39 -7.215 9.509 2.244 309 HB2 LYS 39 HB3 LYS 39 -5.692 7.274 3.550 310 HB3 LYS 39 HB2 LYS 39 -4.914 8.816 3.221 311 HG2 LYS 39 HG3 LYS 39 -7.429 8.492 4.841 312 HG3 LYS 39 HG2 LYS 39 -5.805 8.610 5.521 313 HD2 LYS 39 HD3 LYS 39 -5.797 10.832 5.319 314 HD3 LYS 39 HD2 LYS 39 -6.324 10.746 3.638 315 HE2 LYS 39 HE3 LYS 39 -8.502 11.059 4.164 316 HE3 LYS 39 HE2 LYS 39 -8.376 10.154 5.672 317 HZ1 LYS 39 HZ1 LYS 39 -6.956 12.685 5.594 318 HZ2 LYS 39 HZ2 LYS 39 -7.875 11.995 6.837 319 HZ3 LYS 39 HZ3 LYS 39 -8.643 12.796 5.559 320 H GLU 40 H GLU 40 -6.844 10.060 0.175 321 HA GLU 40 HA GLU 40 -5.663 8.458 -1.786 322 HB2 GLU 40 HB3 GLU 40 -5.354 10.580 -3.046 323 HB3 GLU 40 HB2 GLU 40 -6.977 10.384 -2.401 324 HG2 GLU 40 HG3 GLU 40 -6.610 12.549 -1.841 325 HG3 GLU 40 HG2 GLU 40 -5.973 11.768 -0.395 326 H VAL 41 H VAL 41 -3.613 8.049 -2.382 327 HA VAL 41 HA VAL 41 -1.481 9.200 -0.723 328 HB VAL 41 HB VAL 41 -0.094 7.311 -1.528 329 HG11 VAL 41 HG11 VAL 41 -1.053 6.908 0.553 330 HG12 VAL 41 HG12 VAL 41 -1.527 5.493 -0.389 331 HG13 VAL 41 HG13 VAL 41 -2.683 6.796 -0.111 332 HG21 VAL 41 HG21 VAL 41 -1.127 5.467 -2.737 333 HG22 VAL 41 HG22 VAL 41 -1.232 6.958 -3.674 334 HG23 VAL 41 HG23 VAL 41 -2.649 6.353 -2.816 335 H LYS 42 H LYS 42 0.692 9.346 -1.909 336 HA LYS 42 HA LYS 42 0.387 10.223 -4.684 337 HB2 LYS 42 HB3 LYS 42 1.269 11.913 -2.374 338 HB3 LYS 42 HB2 LYS 42 1.955 12.201 -3.967 339 HG2 LYS 42 HG3 LYS 42 -0.981 11.998 -3.850 340 HG3 LYS 42 HG2 LYS 42 -0.264 13.402 -3.057 341 HD2 LYS 42 HD3 LYS 42 -0.332 14.317 -5.110 342 HD3 LYS 42 HD2 LYS 42 1.117 13.352 -5.398 343 HE2 LYS 42 HE3 LYS 42 0.042 11.910 -6.763 344 HE3 LYS 42 HE2 LYS 42 -1.442 11.955 -5.813 345 HZ1 LYS 42 HZ1 LYS 42 -2.270 13.653 -7.020 346 HZ2 LYS 42 HZ2 LYS 42 -1.227 13.052 -8.211 347 HZ3 LYS 42 HZ3 LYS 42 -0.764 14.381 -7.272 348 H ALA 43 H ALA 43 2.593 10.733 -5.653 349 HA ALA 43 HA ALA 43 4.270 8.474 -5.306 350 HB1 ALA 43 HB1 ALA 43 4.551 11.004 -6.903 351 HB2 ALA 43 HB2 ALA 43 4.169 9.380 -7.475 352 HB3 ALA 43 HB3 ALA 43 5.791 9.751 -6.891 353 H GLY 44 H GLY 44 6.377 8.328 -4.510 354 HA2 GLY 44 HA3 GLY 44 8.152 8.801 -3.131 355 HA3 GLY 44 HA2 GLY 44 7.811 10.504 -3.402 356 H ASP 45 H ASP 45 5.480 8.266 -2.054 357 HA ASP 45 HA ASP 45 5.632 9.749 0.484 358 HB2 ASP 45 HB3 ASP 45 3.479 9.721 -0.964 359 HB3 ASP 45 HB2 ASP 45 3.278 8.078 -0.361 360 H THR 46 H THR 46 4.886 8.429 2.418 361 HA THR 46 HA THR 46 6.288 5.854 2.347 362 HB THR 46 HB THR 46 5.482 7.561 4.710 363 HG1 THR 46 HG1 THR 46 8.019 7.141 3.515 364 HG21 THR 46 HG21 THR 46 5.793 5.016 5.037 365 HG22 THR 46 HG22 THR 46 6.607 6.139 6.127 366 HG23 THR 46 HG23 THR 46 7.506 5.374 4.817 367 H ILE 47 H ILE 47 5.295 3.967 2.787 368 HA ILE 47 HA ILE 47 2.448 4.071 3.552 369 HB ILE 47 HB ILE 47 3.699 2.006 1.740 370 HG12 ILE 47 HG13 ILE 47 3.683 4.213 0.656 371 HG13 ILE 47 HG12 ILE 47 2.526 3.123 -0.100 372 HG21 ILE 47 HG21 ILE 47 1.698 0.968 1.669 373 HG22 ILE 47 HG22 ILE 47 0.790 2.476 1.781 374 HG23 ILE 47 HG23 ILE 47 1.475 1.750 3.235 375 HD11 ILE 47 HD11 ILE 47 2.057 5.694 0.837 376 HD12 ILE 47 HD12 ILE 47 1.285 4.631 2.013 377 HD13 ILE 47 HD13 ILE 47 0.857 4.517 0.306 378 H SER 48 H SER 48 2.562 3.542 5.676 379 HA SER 48 HA SER 48 4.289 1.384 6.561 380 HB2 SER 48 HB3 SER 48 4.349 2.919 8.243 381 HB3 SER 48 HB2 SER 48 2.751 3.556 7.857 382 HG SER 48 HG SER 48 3.361 1.972 9.830 383 H LEU 49 H LEU 49 3.473 -0.405 7.837 384 HA LEU 49 HA LEU 49 0.660 -1.082 7.448 385 HB2 LEU 49 HB3 LEU 49 2.987 -2.591 6.315 386 HB3 LEU 49 HB2 LEU 49 1.518 -3.439 6.759 387 HG LEU 49 HG LEU 49 0.398 -1.573 5.242 388 HD11 LEU 49 HD11 LEU 49 1.702 -0.523 3.743 389 HD12 LEU 49 HD12 LEU 49 2.786 -1.902 3.561 390 HD13 LEU 49 HD13 LEU 49 2.972 -0.808 4.933 391 HD21 LEU 49 HD21 LEU 49 0.268 -3.161 3.516 392 HD22 LEU 49 HD22 LEU 49 0.465 -4.105 4.993 393 HD23 LEU 49 HD23 LEU 49 1.841 -3.851 3.919 394 H HIS 50 H HIS 50 -0.151 -2.559 8.937 395 HA HIS 50 HA HIS 50 1.561 -2.967 11.275 396 HB2 HIS 50 HB3 HIS 50 -0.607 -1.835 11.615 397 HB3 HIS 50 HB2 HIS 50 -1.437 -3.259 11.001 398 HD1 HIS 50 HD1 HIS 50 1.420 -4.041 13.162 399 HD2 HIS 50 HD2 HIS 50 -2.646 -3.320 13.630 400 HE1 HIS 50 HE1 HIS 50 0.849 -4.879 15.463 401 HE2 HIS 50 HE2 HIS 50 -1.633 -4.510 15.692 402 H TYR 51 H TYR 51 2.433 -4.881 11.659 403 HA TYR 51 HA TYR 51 1.050 -7.290 10.690 404 HB2 TYR 51 HB3 TYR 51 3.890 -6.455 10.256 405 HB3 TYR 51 HB2 TYR 51 3.527 -8.168 10.437 406 HD1 TYR 51 HD2 TYR 51 2.169 -5.221 8.573 407 HD2 TYR 51 HD1 TYR 51 3.195 -9.348 8.489 408 HE1 TYR 51 HE2 TYR 51 1.524 -5.326 6.205 409 HE2 TYR 51 HE1 TYR 51 2.554 -9.465 6.118 410 HH TYR 51 HH TYR 51 2.070 -6.755 4.208 411 H LEU 52 H LEU 52 2.317 -9.293 11.702 412 HA LEU 52 HA LEU 52 2.064 -8.946 14.561 413 HB2 LEU 52 HB3 LEU 52 2.896 -11.487 13.199 414 HB3 LEU 52 HB2 LEU 52 2.037 -11.288 14.714 415 HG LEU 52 HG LEU 52 0.697 -10.346 12.228 416 HD11 LEU 52 HD11 LEU 52 0.237 -12.378 11.356 417 HD12 LEU 52 HD12 LEU 52 0.294 -13.186 12.923 418 HD13 LEU 52 HD13 LEU 52 1.792 -12.783 12.082 419 HD21 LEU 52 HD21 LEU 52 -0.043 -10.412 14.815 420 HD22 LEU 52 HD22 LEU 52 -0.660 -11.973 14.276 421 HD23 LEU 52 HD23 LEU 52 -1.180 -10.493 13.470 422 H LYS 53 H LYS 53 4.589 -9.762 12.234 423 HA LYS 53 HA LYS 53 6.604 -10.123 14.247 424 HB2 LYS 53 HB3 LYS 53 8.158 -10.305 12.362 425 HB3 LYS 53 HB2 LYS 53 6.738 -11.312 12.111 426 HG2 LYS 53 HG3 LYS 53 5.799 -9.488 10.682 427 HG3 LYS 53 HG2 LYS 53 7.355 -8.666 10.820 428 HD2 LYS 53 HD3 LYS 53 7.643 -11.455 10.053 429 HD3 LYS 53 HD2 LYS 53 6.648 -10.547 8.913 430 HE2 LYS 53 HE3 LYS 53 8.608 -8.782 9.195 431 HE3 LYS 53 HE2 LYS 53 9.519 -10.233 9.610 432 HZ1 LYS 53 HZ1 LYS 53 7.976 -9.819 7.106 433 HZ2 LYS 53 HZ2 LYS 53 8.856 -11.209 7.502 434 HZ3 LYS 53 HZ3 LYS 53 9.660 -9.742 7.251 435 H GLY 54 H GLY 54 5.398 -7.479 12.334 436 HA2 GLY 54 HA3 GLY 54 6.124 -5.368 13.754 437 HA3 GLY 54 HA2 GLY 54 7.671 -5.781 13.028 438 H ILE 55 H ILE 55 6.406 -3.324 12.626 439 HA ILE 55 HA ILE 55 4.875 -3.200 10.262 440 HB ILE 55 HB ILE 55 6.696 -1.063 11.378 441 HG12 ILE 55 HG13 ILE 55 4.192 -0.353 12.144 442 HG13 ILE 55 HG12 ILE 55 4.066 -2.107 12.237 443 HG21 ILE 55 HG21 ILE 55 4.855 -1.166 9.125 444 HG22 ILE 55 HG22 ILE 55 6.107 0.013 9.512 445 HG23 ILE 55 HG23 ILE 55 4.507 0.156 10.239 446 HD11 ILE 55 HD11 ILE 55 5.071 -0.408 14.171 447 HD12 ILE 55 HD12 ILE 55 6.502 -1.151 13.456 448 HD13 ILE 55 HD13 ILE 55 5.223 -2.166 14.124 449 H GLU 56 H GLU 56 5.437 -2.796 8.136 450 HA GLU 56 HA GLU 56 8.140 -3.603 7.408 451 HB2 GLU 56 HB3 GLU 56 5.525 -3.424 5.973 452 HB3 GLU 56 HB2 GLU 56 7.010 -3.385 5.032 453 HG2 GLU 56 HG3 GLU 56 6.382 -5.550 7.019 454 HG3 GLU 56 HG2 GLU 56 5.941 -5.639 5.313 455 H GLU 57 H GLU 57 5.910 -0.895 6.872 456 HA GLU 57 HA GLU 57 6.256 1.269 6.269 457 HB2 GLU 57 HB3 GLU 57 7.881 1.084 8.202 458 HB3 GLU 57 HB2 GLU 57 9.148 0.825 7.011 459 HG2 GLU 57 HG3 GLU 57 8.822 2.996 6.083 460 HG3 GLU 57 HG2 GLU 57 7.376 3.252 7.059 461 H TYR 58 H TYR 58 5.899 1.208 4.099 462 HA TYR 58 HA TYR 58 8.199 0.650 2.354 463 HB2 TYR 58 HB3 TYR 58 5.258 0.733 1.651 464 HB3 TYR 58 HB2 TYR 58 6.570 0.309 0.558 465 HD1 TYR 58 HD2 TYR 58 4.733 -0.780 3.580 466 HD2 TYR 58 HD1 TYR 58 7.460 -1.884 0.507 467 HE1 TYR 58 HE2 TYR 58 4.526 -3.136 4.252 468 HE2 TYR 58 HE1 TYR 58 7.261 -4.244 1.170 469 HH TYR 58 HH TYR 58 4.840 -5.396 3.165 470 H THR 59 H THR 59 7.805 1.920 0.135 471 HA THR 59 HA THR 59 7.040 4.687 0.648 472 HB THR 59 HB THR 59 9.791 3.894 -0.330 473 HG1 THR 59 HG1 THR 59 8.927 5.156 2.055 474 HG21 THR 59 HG21 THR 59 10.345 6.223 -0.364 475 HG22 THR 59 HG22 THR 59 8.726 6.658 0.185 476 HG23 THR 59 HG23 THR 59 8.954 5.947 -1.413 477 H ILE 60 H ILE 60 5.910 5.444 -1.015 478 HA ILE 60 HA ILE 60 5.628 3.918 -3.416 479 HB ILE 60 HB ILE 60 4.609 6.712 -2.920 480 HG12 ILE 60 HG13 ILE 60 3.274 4.072 -2.283 481 HG13 ILE 60 HG12 ILE 60 3.934 5.190 -1.094 482 HG21 ILE 60 HG21 ILE 60 4.185 6.360 -5.130 483 HG22 ILE 60 HG22 ILE 60 2.747 5.608 -4.440 484 HG23 ILE 60 HG23 ILE 60 4.106 4.607 -4.951 485 HD11 ILE 60 HD11 ILE 60 1.992 6.377 -2.934 486 HD12 ILE 60 HD12 ILE 60 2.146 6.527 -1.185 487 HD13 ILE 60 HD13 ILE 60 1.348 5.117 -1.882 488 H LEU 61 H LEU 61 6.832 4.034 -5.186 489 HA LEU 61 HA LEU 61 8.818 6.122 -5.456 490 HB2 LEU 61 HB3 LEU 61 8.206 3.694 -7.140 491 HB3 LEU 61 HB2 LEU 61 9.525 4.806 -7.457 492 HG LEU 61 HG LEU 61 9.213 3.049 -5.022 493 HD11 LEU 61 HD11 LEU 61 9.912 1.742 -6.872 494 HD12 LEU 61 HD12 LEU 61 11.353 2.078 -5.911 495 HD13 LEU 61 HD13 LEU 61 11.055 2.977 -7.399 496 HD21 LEU 61 HD21 LEU 61 11.436 3.893 -4.390 497 HD22 LEU 61 HD22 LEU 61 10.213 5.162 -4.389 498 HD23 LEU 61 HD23 LEU 61 11.361 5.047 -5.722 499 H GLN 62 H GLN 62 5.698 5.370 -6.734 500 HA GLN 62 HA GLN 62 5.390 7.867 -7.969 501 HB2 GLN 62 HB3 GLN 62 6.839 6.052 -9.558 502 HB3 GLN 62 HB2 GLN 62 5.223 6.109 -10.249 503 HG2 GLN 62 HG3 GLN 62 5.948 8.768 -9.702 504 HG3 GLN 62 HG2 GLN 62 7.350 8.007 -10.453 505 HE21 GLN 62 HE22 GLN 62 5.936 10.049 -11.670 506 HE22 GLN 62 HE21 GLN 62 5.139 9.427 -13.072 507 H ILE 63 H ILE 63 3.397 7.828 -9.498 508 HA ILE 63 HA ILE 63 1.466 5.839 -8.501 509 HB ILE 63 HB ILE 63 0.816 8.729 -9.065 510 HG12 ILE 63 HG13 ILE 63 2.338 8.551 -7.137 511 HG13 ILE 63 HG12 ILE 63 0.724 9.046 -6.639 512 HG21 ILE 63 HG21 ILE 63 -1.184 7.991 -7.565 513 HG22 ILE 63 HG22 ILE 63 -0.721 6.368 -8.078 514 HG23 ILE 63 HG23 ILE 63 -1.168 7.578 -9.281 515 HD11 ILE 63 HD11 ILE 63 1.177 7.489 -5.048 516 HD12 ILE 63 HD12 ILE 63 2.176 6.514 -6.125 517 HD13 ILE 63 HD13 ILE 63 0.419 6.461 -6.263 518 HA PRO 64 HA PRO 64 1.340 5.448 -13.050 519 HB2 PRO 64 HB2 PRO 64 0.083 3.023 -13.015 520 HB3 PRO 64 HB3 PRO 64 1.833 3.222 -12.875 521 HG2 PRO 64 HG3 PRO 64 -0.201 2.783 -10.726 522 HG3 PRO 64 HG2 PRO 64 1.410 2.065 -10.908 523 HD2 PRO 64 HD3 PRO 64 0.930 4.101 -9.208 524 HD3 PRO 64 HD2 PRO 64 2.476 3.932 -10.065 525 H ALA 65 H ALA 65 -1.100 5.592 -10.656 526 HA ALA 65 HA ALA 65 -3.272 6.261 -10.695 527 HB1 ALA 65 HB1 ALA 65 -3.304 6.984 -13.549 528 HB2 ALA 65 HB2 ALA 65 -2.076 7.786 -12.571 529 HB3 ALA 65 HB3 ALA 65 -3.778 7.921 -12.131 530 H LEU 66 H LEU 66 -2.875 3.575 -11.022 531 HA LEU 66 HA LEU 66 -5.014 2.856 -12.917 532 HB2 LEU 66 HB3 LEU 66 -3.794 0.540 -12.847 533 HB3 LEU 66 HB2 LEU 66 -3.255 1.803 -13.935 534 HG LEU 66 HG LEU 66 -1.576 2.425 -12.088 535 HD11 LEU 66 HD11 LEU 66 -1.010 0.780 -10.491 536 HD12 LEU 66 HD12 LEU 66 -2.080 -0.412 -11.228 537 HD13 LEU 66 HD13 LEU 66 -2.758 0.981 -10.387 538 HD21 LEU 66 HD21 LEU 66 -0.716 1.521 -14.065 539 HD22 LEU 66 HD22 LEU 66 -1.458 -0.053 -13.776 540 HD23 LEU 66 HD23 LEU 66 -0.085 0.467 -12.798 541 H LYS 67 H LYS 67 -5.721 0.434 -12.281 542 HA LYS 67 HA LYS 67 -6.445 0.596 -9.434 543 HB2 LYS 67 HB3 LYS 67 -7.905 -0.225 -11.870 544 HB3 LYS 67 HB2 LYS 67 -8.200 -1.202 -10.438 545 HG2 LYS 67 HG3 LYS 67 -9.430 0.386 -9.470 546 HG3 LYS 67 HG2 LYS 67 -8.295 1.662 -9.911 547 HD2 LYS 67 HD3 LYS 67 -9.266 1.313 -12.306 548 HD3 LYS 67 HD2 LYS 67 -10.618 0.572 -11.446 549 HE2 LYS 67 HE3 LYS 67 -10.883 2.621 -10.123 550 HE3 LYS 67 HE2 LYS 67 -9.545 3.357 -11.005 551 HZ1 LYS 67 HZ1 LYS 67 -10.977 2.809 -13.061 552 HZ2 LYS 67 HZ2 LYS 67 -11.388 4.148 -12.112 553 HZ3 LYS 67 HZ3 LYS 67 -12.254 2.704 -11.958 554 H ASN 68 H ASN 68 -4.858 -1.331 -11.819 555 HA ASN 68 HA ASN 68 -4.145 -3.269 -9.755 556 HB2 ASN 68 HB3 ASN 68 -6.150 -4.029 -11.264 557 HB3 ASN 68 HB2 ASN 68 -4.891 -4.323 -12.459 558 HD21 ASN 68 HD22 ASN 68 -5.381 -6.542 -12.385 559 HD22 ASN 68 HD21 ASN 68 -4.837 -7.535 -11.081 560 H VAL 69 H VAL 69 -2.155 -4.279 -10.076 561 HA VAL 69 HA VAL 69 -0.590 -3.332 -12.383 562 HB VAL 69 HB VAL 69 0.538 -3.639 -9.603 563 HG11 VAL 69 HG11 VAL 69 2.147 -3.897 -11.417 564 HG12 VAL 69 HG12 VAL 69 2.436 -2.403 -10.526 565 HG13 VAL 69 HG13 VAL 69 1.640 -2.351 -12.098 566 HG21 VAL 69 HG21 VAL 69 -1.197 -1.804 -9.842 567 HG22 VAL 69 HG22 VAL 69 -0.078 -1.028 -10.963 568 HG23 VAL 69 HG23 VAL 69 0.400 -1.304 -9.288 569 HA PRO 70 HA PRO 70 -0.241 -7.811 -12.893 570 HB2 PRO 70 HB2 PRO 70 1.855 -6.851 -14.786 571 HB3 PRO 70 HB3 PRO 70 0.563 -8.031 -15.041 572 HG2 PRO 70 HG3 PRO 70 0.371 -5.576 -16.046 573 HG3 PRO 70 HG2 PRO 70 -1.049 -6.392 -15.364 574 HD2 PRO 70 HD3 PRO 70 0.621 -4.205 -14.209 575 HD3 PRO 70 HD2 PRO 70 -1.126 -4.489 -14.068 576 H ARG 71 H ARG 71 1.515 -9.387 -12.721 577 HA ARG 71 HA ARG 71 3.394 -8.616 -10.677 578 HB2 ARG 71 HB3 ARG 71 2.271 -11.091 -11.711 579 HB3 ARG 71 HB2 ARG 71 4.000 -11.221 -11.421 580 HG2 ARG 71 HG3 ARG 71 2.862 -9.905 -9.191 581 HG3 ARG 71 HG2 ARG 71 1.863 -11.312 -9.550 582 HD2 ARG 71 HD3 ARG 71 3.457 -12.756 -8.908 583 HD3 ARG 71 HD2 ARG 71 4.740 -11.828 -9.682 584 HE ARG 71 HE ARG 71 4.083 -10.341 -7.504 585 HH11 ARG 71 HH11 ARG 71 5.024 -13.668 -7.975 586 HH12 ARG 71 HH12 ARG 71 5.783 -13.803 -6.424 587 HH21 ARG 71 HH22 ARG 71 5.083 -10.515 -5.465 588 HH22 ARG 71 HH21 ARG 71 5.816 -12.014 -4.998 589 H LYS 72 H LYS 72 4.621 -7.106 -11.986 590 HA LYS 72 HA LYS 72 7.004 -8.267 -12.997 591 HB2 LYS 72 HB3 LYS 72 5.110 -8.344 -14.893 592 HB3 LYS 72 HB2 LYS 72 5.686 -6.703 -15.151 593 HG2 LYS 72 HG3 LYS 72 6.961 -7.975 -16.613 594 HG3 LYS 72 HG2 LYS 72 8.027 -7.748 -15.225 595 HD2 LYS 72 HD3 LYS 72 8.289 -9.973 -15.300 596 HD3 LYS 72 HD2 LYS 72 6.691 -10.041 -14.556 597 HE2 LYS 72 HE3 LYS 72 6.138 -11.305 -16.320 598 HE3 LYS 72 HE2 LYS 72 6.069 -9.778 -17.199 599 HZ1 LYS 72 HZ1 LYS 72 8.483 -11.494 -17.005 600 HZ2 LYS 72 HZ2 LYS 72 8.308 -10.100 -17.947 601 HZ3 LYS 72 HZ3 LYS 72 7.416 -11.489 -18.317 602 H ASP 73 H ASP 73 5.001 -5.349 -13.437 603 HA ASP 73 HA ASP 73 7.360 -3.720 -12.789 604 HB2 ASP 73 HB3 ASP 73 4.777 -2.992 -14.182 605 HB3 ASP 73 HB2 ASP 73 6.039 -1.835 -13.771 606 H THR 74 H THR 74 5.694 -5.128 -10.817 607 HA THR 74 HA THR 74 4.223 -3.009 -9.480 608 HB THR 74 HB THR 74 3.233 -5.219 -9.481 609 HG1 THR 74 HG1 THR 74 4.228 -4.623 -6.896 610 HG21 THR 74 HG21 THR 74 5.095 -6.684 -9.653 611 HG22 THR 74 HG22 THR 74 4.264 -7.046 -8.141 612 HG23 THR 74 HG23 THR 74 5.759 -6.112 -8.123 613 H HIS 75 H HIS 75 7.391 -4.225 -9.506 614 HA HIS 75 HA HIS 75 7.943 -3.415 -6.759 615 HB2 HIS 75 HB3 HIS 75 9.901 -4.507 -8.781 616 HB3 HIS 75 HB2 HIS 75 10.091 -4.435 -7.032 617 HD1 HIS 75 HD1 HIS 75 9.227 -6.385 -5.698 618 HD2 HIS 75 HD2 HIS 75 8.000 -6.487 -9.666 619 HE1 HIS 75 HE1 HIS 75 8.151 -8.636 -6.011 620 HE2 HIS 75 HE2 HIS 75 7.506 -8.712 -8.445 621 H LEU 76 H LEU 76 7.303 -1.556 -9.094 622 HA LEU 76 HA LEU 76 9.683 0.155 -8.807 623 HB2 LEU 76 HB3 LEU 76 7.861 -0.194 -11.181 624 HB3 LEU 76 HB2 LEU 76 8.988 1.141 -11.029 625 HG LEU 76 HG LEU 76 9.992 -1.671 -10.825 626 HD11 LEU 76 HD11 LEU 76 8.509 -1.191 -12.928 627 HD12 LEU 76 HD12 LEU 76 10.060 -2.014 -13.092 628 HD13 LEU 76 HD13 LEU 76 9.929 -0.296 -13.467 629 HD21 LEU 76 HD21 LEU 76 11.088 1.036 -11.220 630 HD22 LEU 76 HD22 LEU 76 11.833 -0.244 -12.177 631 HD23 LEU 76 HD23 LEU 76 11.789 -0.369 -10.418 632 H TYR 77 H TYR 77 6.555 -0.187 -7.870 633 HA TYR 77 HA TYR 77 6.012 2.702 -7.909 634 HB2 TYR 77 HB3 TYR 77 4.128 0.380 -7.448 635 HB3 TYR 77 HB2 TYR 77 3.667 2.079 -7.410 636 HD1 TYR 77 HD1 TYR 77 5.064 3.186 -9.720 637 HD2 TYR 77 HD2 TYR 77 3.065 -0.545 -9.292 638 HE1 TYR 77 HE1 TYR 77 4.655 3.134 -12.143 639 HE2 TYR 77 HE2 TYR 77 2.652 -0.608 -11.715 640 HH TYR 77 HH TYR 77 3.604 0.354 -13.772 641 H ILE 78 H ILE 78 6.576 -0.045 -5.860 642 HA ILE 78 HA ILE 78 6.767 1.723 -3.554 643 HB ILE 78 HB ILE 78 4.454 0.928 -3.448 644 HG12 ILE 78 HG13 ILE 78 6.000 -0.577 -1.348 645 HG13 ILE 78 HG12 ILE 78 5.984 1.183 -1.388 646 HG21 ILE 78 HG21 ILE 78 5.652 -1.836 -3.375 647 HG22 ILE 78 HG22 ILE 78 4.726 -1.143 -4.705 648 HG23 ILE 78 HG23 ILE 78 3.948 -1.440 -3.150 649 HD11 ILE 78 HD11 ILE 78 4.068 -0.598 -0.285 650 HD12 ILE 78 HD12 ILE 78 3.306 0.320 -1.584 651 HD13 ILE 78 HD13 ILE 78 4.094 1.165 -0.251 652 H ALA 79 H ALA 79 8.339 1.117 -2.146 653 HA ALA 79 HA ALA 79 9.421 -1.589 -2.277 654 HB1 ALA 79 HB1 ALA 79 11.158 0.842 -2.679 655 HB2 ALA 79 HB2 ALA 79 10.689 -0.296 -3.942 656 HB3 ALA 79 HB3 ALA 79 11.701 -0.833 -2.601 657 HA PRO 80 HA PRO 80 9.606 -1.105 2.124 658 HB2 PRO 80 HB2 PRO 80 12.034 -2.809 1.956 659 HB3 PRO 80 HB3 PRO 80 10.557 -3.043 2.897 660 HG2 PRO 80 HG3 PRO 80 11.034 -4.503 0.718 661 HG3 PRO 80 HG2 PRO 80 9.397 -3.940 1.105 662 HD2 PRO 80 HD3 PRO 80 11.332 -2.901 -0.923 663 HD3 PRO 80 HD2 PRO 80 9.567 -3.068 -1.026 664 H LYS 81 H LYS 81 10.283 0.813 2.866 665 HA LYS 81 HA LYS 81 13.086 1.586 2.429 666 HB2 LYS 81 HB3 LYS 81 11.160 3.084 1.647 667 HB3 LYS 81 HB2 LYS 81 10.884 3.422 3.349 668 HG2 LYS 81 HG3 LYS 81 12.266 5.145 2.943 669 HG3 LYS 81 HG2 LYS 81 13.518 3.929 3.205 670 HD2 LYS 81 HD3 LYS 81 12.485 4.044 0.461 671 HD3 LYS 81 HD2 LYS 81 13.312 5.510 0.993 672 HE2 LYS 81 HE3 LYS 81 15.048 3.676 1.888 673 HE3 LYS 81 HE2 LYS 81 14.372 2.788 0.524 674 HZ1 LYS 81 HZ1 LYS 81 15.119 5.543 -0.006 675 HZ2 LYS 81 HZ2 LYS 81 15.330 4.160 -0.959 676 HZ3 LYS 81 HZ3 LYS 81 16.402 4.487 0.309 677 H THR 82 H THR 82 14.426 1.415 4.088 678 HA THR 82 HA THR 82 13.626 2.155 6.754 679 HB THR 82 HB THR 82 14.776 -0.586 6.625 680 HG1 THR 82 HG1 THR 82 12.024 -0.053 6.202 681 HG21 THR 82 HG21 THR 82 14.432 -0.237 8.804 682 HG22 THR 82 HG22 THR 82 12.762 -0.657 8.422 683 HG23 THR 82 HG23 THR 82 13.245 1.037 8.520 684 H LYS 83 H LYS 83 15.334 2.809 7.976 685 HA LYS 83 HA LYS 83 18.036 2.244 6.971 686 HB2 LYS 83 HB3 LYS 83 17.010 4.958 7.822 687 HB3 LYS 83 HB2 LYS 83 18.675 4.588 7.398 688 HG2 LYS 83 HG3 LYS 83 16.777 3.814 5.332 689 HG3 LYS 83 HG2 LYS 83 16.750 5.541 5.694 690 HD2 LYS 83 HD3 LYS 83 18.390 5.430 4.073 691 HD3 LYS 83 HD2 LYS 83 19.346 5.324 5.553 692 HE2 LYS 83 HE3 LYS 83 20.118 3.670 3.976 693 HE3 LYS 83 HE2 LYS 83 19.342 2.865 5.339 694 HZ1 LYS 83 HZ1 LYS 83 17.625 3.481 3.078 695 HZ2 LYS 83 HZ2 LYS 83 17.682 2.097 4.052 696 HZ3 LYS 83 HZ3 LYS 83 18.803 2.299 2.803 697 H GLU 84 H GLU 84 19.727 2.487 8.552 698 HA GLU 84 HA GLU 84 18.740 2.028 11.283 699 HB2 GLU 84 HB3 GLU 84 20.849 0.833 9.664 700 HB3 GLU 84 HB2 GLU 84 21.427 1.332 11.247 701 HG2 GLU 84 HG3 GLU 84 18.943 -0.311 10.926 702 HG3 GLU 84 HG2 GLU 84 20.545 -1.045 10.991 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -5.375 8.329 -6.267 2 H2 MET 1 H2 MET 1 -6.894 7.558 -6.078 3 H3 MET 1 H3 MET 1 -5.973 7.298 -7.503 4 HA MET 1 HA MET 1 -5.789 5.419 -6.125 5 HB2 MET 1 HB3 MET 1 -3.799 6.564 -7.369 6 HB3 MET 1 HB2 MET 1 -3.220 6.927 -5.750 7 HG2 MET 1 HG3 MET 1 -2.139 4.960 -6.200 8 HG3 MET 1 HG2 MET 1 -3.568 4.390 -5.339 9 HE1 MET 1 HE1 MET 1 -4.816 1.898 -6.875 10 HE2 MET 1 HE2 MET 1 -5.891 3.038 -7.685 11 HE3 MET 1 HE3 MET 1 -5.339 3.361 -6.042 12 H ARG 2 H ARG 2 -5.183 4.456 -4.120 13 HA ARG 2 HA ARG 2 -4.725 6.165 -1.829 14 HB2 ARG 2 HB3 ARG 2 -6.714 4.928 -0.654 15 HB3 ARG 2 HB2 ARG 2 -7.011 6.369 -1.613 16 HG2 ARG 2 HG3 ARG 2 -7.136 3.914 -3.175 17 HG3 ARG 2 HG2 ARG 2 -8.312 3.968 -1.860 18 HD2 ARG 2 HD3 ARG 2 -8.283 6.514 -3.123 19 HD3 ARG 2 HD2 ARG 2 -8.399 5.282 -4.379 20 HE ARG 2 HE ARG 2 -10.249 4.483 -2.590 21 HH11 ARG 2 HH11 ARG 2 -9.637 7.548 -4.143 22 HH12 ARG 2 HH12 ARG 2 -11.298 8.034 -4.117 23 HH21 ARG 2 HH22 ARG 2 -12.435 5.121 -2.555 24 HH22 ARG 2 HH21 ARG 2 -12.886 6.657 -3.215 25 H ILE 3 H ILE 3 -4.146 5.001 0.077 26 HA ILE 3 HA ILE 3 -2.410 2.893 -0.271 27 HB ILE 3 HB ILE 3 -2.382 4.246 1.728 28 HG12 ILE 3 HG13 ILE 3 -1.777 1.649 1.669 29 HG13 ILE 3 HG12 ILE 3 -1.623 2.608 3.134 30 HG21 ILE 3 HG21 ILE 3 -4.844 4.523 1.878 31 HG22 ILE 3 HG22 ILE 3 -4.067 4.173 3.420 32 HG23 ILE 3 HG23 ILE 3 -4.944 2.903 2.567 33 HD11 ILE 3 HD11 ILE 3 -3.918 0.794 2.425 34 HD12 ILE 3 HD12 ILE 3 -3.812 1.788 3.877 35 HD13 ILE 3 HD13 ILE 3 -2.656 0.483 3.615 36 H ASP 4 H ASP 4 -5.867 2.789 0.038 37 HA ASP 4 HA ASP 4 -6.038 0.039 0.778 38 HB2 ASP 4 HB3 ASP 4 -8.148 1.763 -0.532 39 HB3 ASP 4 HB2 ASP 4 -8.416 0.254 0.337 40 H LYS 5 H LYS 5 -6.652 1.736 -2.302 41 HA LYS 5 HA LYS 5 -6.691 -0.811 -3.706 42 HB2 LYS 5 HB3 LYS 5 -8.136 1.433 -4.064 43 HB3 LYS 5 HB2 LYS 5 -6.848 1.724 -5.224 44 HG2 LYS 5 HG3 LYS 5 -7.376 -0.228 -6.444 45 HG3 LYS 5 HG2 LYS 5 -8.435 -0.826 -5.165 46 HD2 LYS 5 HD3 LYS 5 -9.584 1.568 -5.696 47 HD3 LYS 5 HD2 LYS 5 -8.950 1.149 -7.289 48 HE2 LYS 5 HE3 LYS 5 -10.474 -0.462 -7.589 49 HE3 LYS 5 HE2 LYS 5 -10.263 -1.084 -5.953 50 HZ1 LYS 5 HZ1 LYS 5 -12.366 -0.311 -5.770 51 HZ2 LYS 5 HZ2 LYS 5 -12.175 0.871 -6.967 52 HZ3 LYS 5 HZ3 LYS 5 -11.569 1.138 -5.410 53 H PHE 6 H PHE 6 -4.295 1.311 -2.786 54 HA PHE 6 HA PHE 6 -2.753 1.260 -5.214 55 HB2 PHE 6 HB3 PHE 6 -2.651 3.136 -3.581 56 HB3 PHE 6 HB2 PHE 6 -1.859 2.053 -2.440 57 HD1 PHE 6 HD2 PHE 6 -1.485 3.080 -6.012 58 HD2 PHE 6 HD1 PHE 6 0.418 2.221 -2.303 59 HE1 PHE 6 HE2 PHE 6 0.694 3.641 -7.005 60 HE2 PHE 6 HE1 PHE 6 2.602 2.781 -3.289 61 HZ PHE 6 HZ PHE 6 2.741 3.492 -5.644 62 H LEU 7 H LEU 7 -1.916 0.064 -1.948 63 HA LEU 7 HA LEU 7 0.075 -1.690 -3.028 64 HB2 LEU 7 HB3 LEU 7 0.398 -2.407 -0.707 65 HB3 LEU 7 HB2 LEU 7 0.426 -0.662 -0.875 66 HG LEU 7 HG LEU 7 -2.130 -0.905 -0.222 67 HD11 LEU 7 HD11 LEU 7 -1.404 -3.535 -0.062 68 HD12 LEU 7 HD12 LEU 7 -2.781 -2.804 0.763 69 HD13 LEU 7 HD13 LEU 7 -1.249 -3.003 1.612 70 HD21 LEU 7 HD21 LEU 7 -0.012 -1.171 1.897 71 HD22 LEU 7 HD22 LEU 7 -1.549 -0.311 1.992 72 HD23 LEU 7 HD23 LEU 7 -0.256 0.304 0.962 73 H GLN 8 H GLN 8 -3.270 -1.972 -2.514 74 HA GLN 8 HA GLN 8 -3.205 -4.856 -2.186 75 HB2 GLN 8 HB3 GLN 8 -5.533 -2.955 -2.445 76 HB3 GLN 8 HB2 GLN 8 -5.652 -4.664 -2.048 77 HG2 GLN 8 HG3 GLN 8 -4.157 -4.132 -0.055 78 HG3 GLN 8 HG2 GLN 8 -4.510 -2.438 -0.395 79 HE21 GLN 8 HE22 GLN 8 -5.771 -5.464 0.727 80 HE22 GLN 8 HE21 GLN 8 -7.263 -4.852 1.346 81 H SER 9 H SER 9 -3.449 -2.553 -4.725 82 HA SER 9 HA SER 9 -4.712 -4.412 -6.567 83 HB2 SER 9 HB3 SER 9 -4.597 -2.593 -8.187 84 HB3 SER 9 HB2 SER 9 -5.255 -1.994 -6.666 85 HG SER 9 HG SER 9 -2.940 -1.320 -7.963 86 H VAL 10 H VAL 10 -1.576 -2.792 -6.180 87 HA VAL 10 HA VAL 10 -0.283 -3.828 -8.412 88 HB VAL 10 HB VAL 10 1.836 -3.534 -7.078 89 HG11 VAL 10 HG11 VAL 10 1.834 -1.290 -7.464 90 HG12 VAL 10 HG12 VAL 10 0.253 -1.051 -6.720 91 HG13 VAL 10 HG13 VAL 10 0.370 -1.724 -8.345 92 HG21 VAL 10 HG21 VAL 10 0.411 -2.105 -4.949 93 HG22 VAL 10 HG22 VAL 10 1.844 -3.130 -4.867 94 HG23 VAL 10 HG23 VAL 10 0.239 -3.860 -4.901 95 H GLY 11 H GLY 11 -1.043 -5.332 -5.361 96 HA2 GLY 11 HA3 GLY 11 -1.222 -7.755 -5.327 97 HA3 GLY 11 HA2 GLY 11 0.202 -7.816 -6.355 98 H LEU 12 H LEU 12 -0.407 -5.962 -3.390 99 HA LEU 12 HA LEU 12 2.025 -7.153 -2.255 100 HB2 LEU 12 HB3 LEU 12 1.229 -4.520 -2.459 101 HB3 LEU 12 HB2 LEU 12 0.829 -4.917 -0.799 102 HG LEU 12 HG LEU 12 3.547 -5.119 -2.092 103 HD11 LEU 12 HD11 LEU 12 2.807 -3.459 0.284 104 HD12 LEU 12 HD12 LEU 12 2.542 -2.861 -1.354 105 HD13 LEU 12 HD13 LEU 12 4.169 -3.281 -0.821 106 HD21 LEU 12 HD21 LEU 12 2.691 -5.837 0.709 107 HD22 LEU 12 HD22 LEU 12 4.353 -5.789 0.120 108 HD23 LEU 12 HD23 LEU 12 3.217 -6.965 -0.540 109 H VAL 13 H VAL 13 -1.396 -6.682 -1.711 110 HA VAL 13 HA VAL 13 -1.253 -7.942 0.916 111 HB VAL 13 HB VAL 13 -2.730 -5.981 0.597 112 HG11 VAL 13 HG11 VAL 13 -4.625 -7.699 -0.948 113 HG12 VAL 13 HG12 VAL 13 -3.362 -6.801 -1.788 114 HG13 VAL 13 HG13 VAL 13 -4.557 -5.942 -0.817 115 HG21 VAL 13 HG21 VAL 13 -4.265 -8.500 1.223 116 HG22 VAL 13 HG22 VAL 13 -4.625 -6.869 1.788 117 HG23 VAL 13 HG23 VAL 13 -3.164 -7.690 2.337 118 H LYS 14 H LYS 14 -2.468 -9.820 1.450 119 HA LYS 14 HA LYS 14 -3.560 -11.410 -0.722 120 HB2 LYS 14 HB3 LYS 14 -0.925 -11.783 -0.093 121 HB3 LYS 14 HB2 LYS 14 -1.704 -12.965 0.949 122 HG2 LYS 14 HG3 LYS 14 -1.125 -14.041 -1.094 123 HG3 LYS 14 HG2 LYS 14 -2.880 -13.859 -1.054 124 HD2 LYS 14 HD3 LYS 14 -2.448 -11.672 -2.363 125 HD3 LYS 14 HD2 LYS 14 -0.861 -12.367 -2.692 126 HE2 LYS 14 HE3 LYS 14 -1.784 -13.453 -4.400 127 HE3 LYS 14 HE2 LYS 14 -2.668 -14.421 -3.220 128 HZ1 LYS 14 HZ1 LYS 14 -4.206 -12.257 -3.332 129 HZ2 LYS 14 HZ2 LYS 14 -4.430 -13.606 -4.329 130 HZ3 LYS 14 HZ3 LYS 14 -3.601 -12.252 -4.912 131 H ARG 15 H ARG 15 -4.934 -13.081 -0.030 132 HA ARG 15 HA ARG 15 -6.504 -14.036 1.310 133 HB2 ARG 15 HB3 ARG 15 -4.283 -14.764 2.424 134 HB3 ARG 15 HB2 ARG 15 -4.688 -13.582 3.660 135 HG2 ARG 15 HG3 ARG 15 -5.543 -15.520 4.550 136 HG3 ARG 15 HG2 ARG 15 -6.960 -14.835 3.750 137 HD2 ARG 15 HD3 ARG 15 -6.946 -16.405 2.080 138 HD3 ARG 15 HD2 ARG 15 -5.208 -16.677 2.203 139 HE ARG 15 HE ARG 15 -5.644 -18.370 3.661 140 HH11 ARG 15 HH11 ARG 15 -8.393 -16.221 3.640 141 HH12 ARG 15 HH12 ARG 15 -9.340 -17.220 4.690 142 HH21 ARG 15 HH22 ARG 15 -6.889 -19.686 5.040 143 HH22 ARG 15 HH21 ARG 15 -8.487 -19.188 5.484 144 H ARG 16 H ARG 16 -6.275 -11.035 1.050 145 HA ARG 16 HA ARG 16 -8.361 -10.406 2.936 146 HB2 ARG 16 HB3 ARG 16 -5.712 -8.953 3.060 147 HB3 ARG 16 HB2 ARG 16 -7.181 -8.425 3.868 148 HG2 ARG 16 HG3 ARG 16 -7.190 -10.526 5.160 149 HG3 ARG 16 HG2 ARG 16 -5.665 -10.973 4.393 150 HD2 ARG 16 HD3 ARG 16 -5.141 -8.449 5.321 151 HD3 ARG 16 HD2 ARG 16 -6.196 -9.102 6.575 152 HE ARG 16 HE ARG 16 -4.408 -11.086 6.209 153 HH11 ARG 16 HH11 ARG 16 -4.048 -7.661 6.782 154 HH12 ARG 16 HH12 ARG 16 -2.537 -7.832 7.608 155 HH21 ARG 16 HH22 ARG 16 -2.422 -11.312 7.297 156 HH22 ARG 16 HH21 ARG 16 -1.613 -9.906 7.902 157 H VAL 17 H VAL 17 -9.231 -10.351 0.679 158 HA VAL 17 HA VAL 17 -8.650 -7.792 -0.657 159 HB VAL 17 HB VAL 17 -10.290 -9.894 -1.996 160 HG11 VAL 17 HG11 VAL 17 -8.622 -8.956 -3.859 161 HG12 VAL 17 HG12 VAL 17 -8.593 -7.590 -2.743 162 HG13 VAL 17 HG13 VAL 17 -10.124 -8.142 -3.422 163 HG21 VAL 17 HG21 VAL 17 -7.866 -10.590 -2.913 164 HG22 VAL 17 HG22 VAL 17 -8.668 -11.419 -1.578 165 HG23 VAL 17 HG23 VAL 17 -7.446 -10.191 -1.248 166 H LEU 18 H LEU 18 -10.636 -6.911 -1.870 167 HA LEU 18 HA LEU 18 -12.690 -5.950 -1.801 168 HB2 LEU 18 HB3 LEU 18 -13.308 -8.494 -0.312 169 HB3 LEU 18 HB2 LEU 18 -14.529 -7.286 -0.657 170 HG LEU 18 HG LEU 18 -13.845 -7.571 -3.123 171 HD11 LEU 18 HD11 LEU 18 -11.992 -8.832 -3.328 172 HD12 LEU 18 HD12 LEU 18 -13.141 -10.168 -3.249 173 HD13 LEU 18 HD13 LEU 18 -12.265 -9.672 -1.801 174 HD21 LEU 18 HD21 LEU 18 -15.944 -8.355 -2.773 175 HD22 LEU 18 HD22 LEU 18 -15.461 -9.361 -1.407 176 HD23 LEU 18 HD23 LEU 18 -15.144 -9.901 -3.055 177 H ALA 19 H ALA 19 -12.868 -7.500 1.386 178 HA ALA 19 HA ALA 19 -13.633 -5.060 2.644 179 HB1 ALA 19 HB1 ALA 19 -14.567 -6.871 3.699 180 HB2 ALA 19 HB2 ALA 19 -13.195 -6.546 4.757 181 HB3 ALA 19 HB3 ALA 19 -13.101 -7.844 3.567 182 H THR 20 H THR 20 -12.461 -3.613 3.775 183 HA THR 20 HA THR 20 -9.554 -3.907 3.716 184 HB THR 20 HB THR 20 -9.454 -1.533 4.125 185 HG1 THR 20 HG1 THR 20 -11.394 -0.356 4.459 186 HG21 THR 20 HG21 THR 20 -9.972 -2.136 1.815 187 HG22 THR 20 HG22 THR 20 -10.693 -0.594 2.276 188 HG23 THR 20 HG23 THR 20 -11.694 -2.043 2.184 189 H ASP 21 H ASP 21 -8.735 -4.932 5.429 190 HA ASP 21 HA ASP 21 -9.936 -4.500 8.066 191 HB2 ASP 21 HB3 ASP 21 -7.899 -6.550 7.172 192 HB3 ASP 21 HB2 ASP 21 -8.633 -6.463 8.771 193 H MET 22 H MET 22 -7.023 -3.947 6.237 194 HA MET 22 HA MET 22 -5.199 -3.455 8.279 195 HB2 MET 22 HB3 MET 22 -5.470 -2.615 5.444 196 HB3 MET 22 HB2 MET 22 -4.361 -1.686 6.442 197 HG2 MET 22 HG3 MET 22 -3.039 -3.331 5.459 198 HG3 MET 22 HG2 MET 22 -3.333 -3.918 7.095 199 HE1 MET 22 HE1 MET 22 -3.844 -5.403 3.172 200 HE2 MET 22 HE2 MET 22 -4.378 -3.775 3.595 201 HE3 MET 22 HE3 MET 22 -5.563 -5.062 3.368 202 H CYS 23 H CYS 23 -7.468 -1.221 6.707 203 HA CYS 23 HA CYS 23 -6.689 1.078 8.136 204 HB2 CYS 23 HB3 CYS 23 -8.742 2.076 7.326 205 HB3 CYS 23 HB2 CYS 23 -8.024 1.111 6.043 206 HG CYS 23 HG CYS 23 -10.003 -0.357 6.015 207 H ASN 24 H ASN 24 -8.764 -1.590 8.948 208 HA ASN 24 HA ASN 24 -9.996 -0.230 11.181 209 HB2 ASN 24 HB3 ASN 24 -10.763 -2.344 9.633 210 HB3 ASN 24 HB2 ASN 24 -10.176 -3.168 11.075 211 HD21 ASN 24 HD22 ASN 24 -11.034 -2.352 13.154 212 HD22 ASN 24 HD21 ASN 24 -12.688 -1.854 13.204 213 H VAL 25 H VAL 25 -7.746 -2.966 10.790 214 HA VAL 25 HA VAL 25 -7.240 -3.412 13.496 215 HB VAL 25 HB VAL 25 -5.123 -4.472 12.769 216 HG11 VAL 25 HG11 VAL 25 -7.104 -5.367 10.752 217 HG12 VAL 25 HG12 VAL 25 -7.594 -5.392 12.447 218 HG13 VAL 25 HG13 VAL 25 -6.176 -6.303 11.925 219 HG21 VAL 25 HG21 VAL 25 -4.306 -3.137 11.036 220 HG22 VAL 25 HG22 VAL 25 -5.842 -3.158 10.171 221 HG23 VAL 25 HG23 VAL 25 -4.838 -4.607 10.219 222 H GLY 26 H GLY 26 -5.969 -1.001 11.313 223 HA2 GLY 26 HA3 GLY 26 -5.126 1.071 12.189 224 HA3 GLY 26 HA2 GLY 26 -4.524 0.188 13.585 225 H ALA 27 H ALA 27 -4.132 -0.795 10.228 226 HA ALA 27 HA ALA 27 -1.230 -0.669 10.600 227 HB1 ALA 27 HB1 ALA 27 -3.047 -2.290 8.900 228 HB2 ALA 27 HB2 ALA 27 -1.643 -2.782 9.846 229 HB3 ALA 27 HB3 ALA 27 -1.422 -1.965 8.299 230 H VAL 28 H VAL 28 -3.821 0.587 8.608 231 HA VAL 28 HA VAL 28 -2.244 1.736 6.571 232 HB VAL 28 HB VAL 28 -4.934 2.670 7.584 233 HG11 VAL 28 HG11 VAL 28 -5.099 3.396 5.117 234 HG12 VAL 28 HG12 VAL 28 -3.339 3.280 5.124 235 HG13 VAL 28 HG13 VAL 28 -4.154 4.389 6.227 236 HG21 VAL 28 HG21 VAL 28 -5.834 1.301 5.719 237 HG22 VAL 28 HG22 VAL 28 -5.064 0.345 6.985 238 HG23 VAL 28 HG23 VAL 28 -4.215 0.645 5.468 239 H TRP 29 H TRP 29 -0.708 3.199 6.870 240 HA TRP 29 HA TRP 29 -1.295 5.554 8.502 241 HB2 TRP 29 HB3 TRP 29 1.005 3.668 8.900 242 HB3 TRP 29 HB2 TRP 29 1.182 5.374 9.297 243 HD1 TRP 29 HD1 TRP 29 -1.369 2.558 10.140 244 HE1 TRP 29 HE1 TRP 29 -2.030 2.813 12.614 245 HE3 TRP 29 HE3 TRP 29 1.375 6.715 11.288 246 HZ2 TRP 29 HZ2 TRP 29 -1.464 4.549 14.767 247 HZ3 TRP 29 HZ3 TRP 29 1.259 7.610 13.578 248 HH2 TRP 29 HH2 TRP 29 -0.132 6.548 15.280 249 H LEU 30 H LEU 30 -1.251 7.074 6.982 250 HA LEU 30 HA LEU 30 0.642 6.959 4.790 251 HB2 LEU 30 HB3 LEU 30 -1.903 7.886 4.983 252 HB3 LEU 30 HB2 LEU 30 -1.002 9.381 5.147 253 HG LEU 30 HG LEU 30 -0.239 7.597 2.901 254 HD11 LEU 30 HD11 LEU 30 -2.406 7.388 2.297 255 HD12 LEU 30 HD12 LEU 30 -2.146 9.015 1.671 256 HD13 LEU 30 HD13 LEU 30 -2.920 8.787 3.238 257 HD21 LEU 30 HD21 LEU 30 0.606 9.491 2.020 258 HD22 LEU 30 HD22 LEU 30 0.526 10.061 3.687 259 HD23 LEU 30 HD23 LEU 30 -0.758 10.475 2.552 260 H ASN 31 H ASN 31 2.562 7.910 4.775 261 HA ASN 31 HA ASN 31 4.371 9.127 5.432 262 HB2 ASN 31 HB3 ASN 31 2.149 10.933 5.082 263 HB3 ASN 31 HB2 ASN 31 3.239 11.550 6.320 264 HD21 ASN 31 HD22 ASN 31 3.838 13.259 4.969 265 HD22 ASN 31 HD21 ASN 31 4.915 13.027 3.639 266 H GLY 32 H GLY 32 3.296 7.430 7.433 267 HA2 GLY 32 HA3 GLY 32 3.761 6.988 9.647 268 HA3 GLY 32 HA2 GLY 32 4.594 8.533 9.728 269 H SER 33 H SER 33 1.270 8.267 8.696 270 HA SER 33 HA SER 33 0.323 9.153 11.320 271 HB2 SER 33 HB3 SER 33 -0.405 10.604 8.766 272 HB3 SER 33 HB2 SER 33 -0.887 11.033 10.406 273 HG SER 33 HG SER 33 1.450 11.249 10.805 274 H CYS 34 H CYS 34 -1.815 8.644 11.766 275 HA CYS 34 HA CYS 34 -2.877 6.352 10.618 276 HB2 CYS 34 HB3 CYS 34 -3.714 8.314 12.601 277 HB3 CYS 34 HB2 CYS 34 -5.079 7.669 11.695 278 HG CYS 34 HG CYS 34 -4.949 5.830 13.308 279 H ALA 35 H ALA 35 -4.385 5.923 9.065 280 HA ALA 35 HA ALA 35 -5.766 8.100 7.728 281 HB1 ALA 35 HB1 ALA 35 -3.875 8.215 6.382 282 HB2 ALA 35 HB2 ALA 35 -4.944 7.143 5.476 283 HB3 ALA 35 HB3 ALA 35 -3.617 6.471 6.425 284 H LYS 36 H LYS 36 -7.755 7.487 7.174 285 HA LYS 36 HA LYS 36 -8.716 4.895 7.727 286 HB2 LYS 36 HB3 LYS 36 -9.879 7.324 7.399 287 HB3 LYS 36 HB2 LYS 36 -10.298 6.561 5.871 288 HG2 LYS 36 HG3 LYS 36 -12.019 5.644 6.926 289 HG3 LYS 36 HG2 LYS 36 -10.854 4.620 7.767 290 HD2 LYS 36 HD3 LYS 36 -11.409 7.359 8.812 291 HD3 LYS 36 HD2 LYS 36 -12.575 6.070 9.113 292 HE2 LYS 36 HE3 LYS 36 -9.646 5.780 9.725 293 HE3 LYS 36 HE2 LYS 36 -10.794 6.442 10.887 294 HZ1 LYS 36 HZ1 LYS 36 -10.433 3.706 9.992 295 HZ2 LYS 36 HZ2 LYS 36 -12.041 4.202 10.173 296 HZ3 LYS 36 HZ3 LYS 36 -10.974 4.296 11.482 297 H ALA 37 H ALA 37 -10.412 4.255 5.640 298 HA ALA 37 HA ALA 37 -8.495 3.193 3.703 299 HB1 ALA 37 HB1 ALA 37 -9.718 1.410 4.453 300 HB2 ALA 37 HB2 ALA 37 -10.674 1.870 3.044 301 HB3 ALA 37 HB3 ALA 37 -11.188 2.362 4.658 302 H SER 38 H SER 38 -9.439 5.980 3.620 303 HA SER 38 HA SER 38 -10.283 5.990 0.834 304 HB2 SER 38 HB3 SER 38 -12.190 6.356 2.797 305 HB3 SER 38 HB2 SER 38 -11.739 8.008 2.380 306 HG SER 38 HG SER 38 -12.833 7.780 0.615 307 H LYS 39 H LYS 39 -7.854 6.661 2.381 308 HA LYS 39 HA LYS 39 -7.693 9.559 1.976 309 HB2 LYS 39 HB3 LYS 39 -5.634 7.755 3.252 310 HB3 LYS 39 HB2 LYS 39 -5.695 9.511 3.313 311 HG2 LYS 39 HG3 LYS 39 -7.721 7.656 4.547 312 HG3 LYS 39 HG2 LYS 39 -6.422 8.482 5.411 313 HD2 LYS 39 HD3 LYS 39 -7.389 10.587 5.086 314 HD3 LYS 39 HD2 LYS 39 -8.427 10.008 3.782 315 HE2 LYS 39 HE3 LYS 39 -9.930 10.165 5.516 316 HE3 LYS 39 HE2 LYS 39 -9.429 8.480 5.644 317 HZ1 LYS 39 HZ1 LYS 39 -7.655 9.487 7.243 318 HZ2 LYS 39 HZ2 LYS 39 -9.224 9.172 7.798 319 HZ3 LYS 39 HZ3 LYS 39 -8.773 10.749 7.385 320 H GLU 40 H GLU 40 -6.870 10.304 0.146 321 HA GLU 40 HA GLU 40 -5.737 8.667 -1.843 322 HB2 GLU 40 HB3 GLU 40 -5.222 10.766 -3.012 323 HB3 GLU 40 HB2 GLU 40 -6.862 10.762 -2.380 324 HG2 GLU 40 HG3 GLU 40 -5.826 11.992 -0.355 325 HG3 GLU 40 HG2 GLU 40 -4.487 12.315 -1.455 326 H VAL 41 H VAL 41 -3.577 8.828 -2.767 327 HA VAL 41 HA VAL 41 -1.515 9.500 -0.774 328 HB VAL 41 HB VAL 41 -0.187 7.572 -1.550 329 HG11 VAL 41 HG11 VAL 41 -2.638 6.176 -0.797 330 HG12 VAL 41 HG12 VAL 41 -2.279 7.571 0.220 331 HG13 VAL 41 HG13 VAL 41 -1.090 6.281 0.039 332 HG21 VAL 41 HG21 VAL 41 -1.776 5.794 -2.744 333 HG22 VAL 41 HG22 VAL 41 -0.779 6.935 -3.648 334 HG23 VAL 41 HG23 VAL 41 -2.490 7.272 -3.389 335 H LYS 42 H LYS 42 0.717 9.583 -1.845 336 HA LYS 42 HA LYS 42 0.553 10.658 -4.572 337 HB2 LYS 42 HB3 LYS 42 1.516 12.037 -2.111 338 HB3 LYS 42 HB2 LYS 42 2.382 12.333 -3.612 339 HG2 LYS 42 HG3 LYS 42 0.344 13.107 -4.669 340 HG3 LYS 42 HG2 LYS 42 -0.574 12.741 -3.207 341 HD2 LYS 42 HD3 LYS 42 0.229 14.554 -2.086 342 HD3 LYS 42 HD2 LYS 42 1.784 14.517 -2.922 343 HE2 LYS 42 HE3 LYS 42 0.952 15.644 -4.778 344 HE3 LYS 42 HE2 LYS 42 -0.721 15.245 -4.392 345 HZ1 LYS 42 HZ1 LYS 42 0.708 16.865 -2.443 346 HZ2 LYS 42 HZ2 LYS 42 -0.898 16.965 -2.966 347 HZ3 LYS 42 HZ3 LYS 42 0.344 17.617 -3.912 348 H ALA 43 H ALA 43 2.959 11.174 -5.295 349 HA ALA 43 HA ALA 43 4.336 8.645 -5.154 350 HB1 ALA 43 HB1 ALA 43 4.710 11.163 -6.725 351 HB2 ALA 43 HB2 ALA 43 4.386 9.526 -7.294 352 HB3 ALA 43 HB3 ALA 43 5.984 9.944 -6.677 353 H GLY 44 H GLY 44 6.562 8.389 -4.570 354 HA2 GLY 44 HA3 GLY 44 8.336 8.617 -3.132 355 HA3 GLY 44 HA2 GLY 44 8.155 10.349 -3.367 356 H ASP 45 H ASP 45 5.686 8.261 -1.996 357 HA ASP 45 HA ASP 45 5.982 9.715 0.546 358 HB2 ASP 45 HB3 ASP 45 3.638 8.750 -0.992 359 HB3 ASP 45 HB2 ASP 45 3.532 8.610 0.761 360 H THR 46 H THR 46 5.389 8.488 2.518 361 HA THR 46 HA THR 46 6.553 5.809 2.383 362 HB THR 46 HB THR 46 5.878 7.279 4.916 363 HG1 THR 46 HG1 THR 46 7.115 8.757 3.887 364 HG21 THR 46 HG21 THR 46 7.392 5.941 5.965 365 HG22 THR 46 HG22 THR 46 8.332 5.663 4.498 366 HG23 THR 46 HG23 THR 46 6.795 4.832 4.731 367 H ILE 47 H ILE 47 5.515 3.987 3.068 368 HA ILE 47 HA ILE 47 2.679 4.278 3.825 369 HB ILE 47 HB ILE 47 3.858 2.081 2.116 370 HG12 ILE 47 HG13 ILE 47 3.729 4.275 0.960 371 HG13 ILE 47 HG12 ILE 47 2.643 3.076 0.263 372 HG21 ILE 47 HG21 ILE 47 1.988 1.338 3.501 373 HG22 ILE 47 HG22 ILE 47 1.541 1.379 1.796 374 HG23 ILE 47 HG23 ILE 47 0.996 2.658 2.880 375 HD11 ILE 47 HD11 ILE 47 2.054 5.650 1.412 376 HD12 ILE 47 HD12 ILE 47 1.112 4.372 2.179 377 HD13 ILE 47 HD13 ILE 47 1.040 4.593 0.431 378 H SER 48 H SER 48 2.783 3.903 5.982 379 HA SER 48 HA SER 48 4.470 1.834 7.073 380 HB2 SER 48 HB3 SER 48 2.812 4.029 8.134 381 HB3 SER 48 HB2 SER 48 2.878 2.592 9.154 382 HG SER 48 HG SER 48 4.785 3.221 9.728 383 H LEU 49 H LEU 49 3.724 0.032 8.295 384 HA LEU 49 HA LEU 49 0.939 -0.749 8.034 385 HB2 LEU 49 HB3 LEU 49 3.193 -2.079 6.594 386 HB3 LEU 49 HB2 LEU 49 1.874 -3.063 7.197 387 HG LEU 49 HG LEU 49 0.495 -1.117 5.892 388 HD11 LEU 49 HD11 LEU 49 1.661 -0.950 3.656 389 HD12 LEU 49 HD12 LEU 49 3.126 -1.481 4.484 390 HD13 LEU 49 HD13 LEU 49 2.338 0.024 4.961 391 HD21 LEU 49 HD21 LEU 49 1.484 -3.821 5.118 392 HD22 LEU 49 HD22 LEU 49 0.597 -2.856 3.937 393 HD23 LEU 49 HD23 LEU 49 -0.157 -3.280 5.474 394 H HIS 50 H HIS 50 0.315 -1.628 9.885 395 HA HIS 50 HA HIS 50 2.339 -2.540 11.778 396 HB2 HIS 50 HB3 HIS 50 0.459 -0.907 12.373 397 HB3 HIS 50 HB2 HIS 50 -0.619 -2.298 12.306 398 HD1 HIS 50 HD1 HIS 50 -0.521 -3.965 14.241 399 HD2 HIS 50 HD2 HIS 50 2.269 -0.902 14.546 400 HE1 HIS 50 HE1 HIS 50 0.401 -4.126 16.575 401 HE2 HIS 50 HE2 HIS 50 2.030 -2.213 16.762 402 H TYR 51 H TYR 51 2.778 -4.616 12.053 403 HA TYR 51 HA TYR 51 0.679 -6.602 11.531 404 HB2 TYR 51 HB3 TYR 51 3.425 -6.476 10.344 405 HB3 TYR 51 HB2 TYR 51 2.687 -8.046 10.648 406 HD1 TYR 51 HD1 TYR 51 1.829 -4.764 9.070 407 HD2 TYR 51 HD2 TYR 51 1.463 -9.002 8.940 408 HE1 TYR 51 HE1 TYR 51 0.601 -4.587 6.948 409 HE2 TYR 51 HE2 TYR 51 0.235 -8.837 6.816 410 HH TYR 51 HH TYR 51 0.095 -7.138 4.897 411 H LEU 52 H LEU 52 1.199 -8.748 12.483 412 HA LEU 52 HA LEU 52 1.847 -8.501 15.205 413 HB2 LEU 52 HB3 LEU 52 1.818 -10.990 15.211 414 HB3 LEU 52 HB2 LEU 52 0.391 -10.255 14.504 415 HG LEU 52 HG LEU 52 1.876 -10.629 12.276 416 HD11 LEU 52 HD11 LEU 52 2.743 -13.005 12.508 417 HD12 LEU 52 HD12 LEU 52 2.697 -12.736 14.251 418 HD13 LEU 52 HD13 LEU 52 3.721 -11.726 13.229 419 HD21 LEU 52 HD21 LEU 52 0.238 -12.073 11.693 420 HD22 LEU 52 HD22 LEU 52 -0.494 -11.487 13.187 421 HD23 LEU 52 HD23 LEU 52 0.388 -13.014 13.178 422 H LYS 53 H LYS 53 3.757 -9.431 12.413 423 HA LYS 53 HA LYS 53 6.013 -10.306 13.964 424 HB2 LYS 53 HB3 LYS 53 7.175 -10.364 11.761 425 HB3 LYS 53 HB2 LYS 53 5.680 -11.289 11.793 426 HG2 LYS 53 HG3 LYS 53 4.537 -9.696 10.506 427 HG3 LYS 53 HG2 LYS 53 5.784 -8.474 10.765 428 HD2 LYS 53 HD3 LYS 53 6.218 -9.192 8.602 429 HD3 LYS 53 HD2 LYS 53 7.342 -10.156 9.561 430 HE2 LYS 53 HE3 LYS 53 4.778 -11.466 9.326 431 HE3 LYS 53 HE2 LYS 53 5.447 -11.088 7.738 432 HZ1 LYS 53 HZ1 LYS 53 6.423 -13.090 8.131 433 HZ2 LYS 53 HZ2 LYS 53 6.476 -12.884 9.809 434 HZ3 LYS 53 HZ3 LYS 53 7.596 -12.088 8.823 435 H GLY 54 H GLY 54 4.955 -7.328 12.474 436 HA2 GLY 54 HA3 GLY 54 6.172 -5.482 13.920 437 HA3 GLY 54 HA2 GLY 54 7.535 -6.050 12.968 438 H ILE 55 H ILE 55 7.207 -3.545 12.590 439 HA ILE 55 HA ILE 55 5.284 -2.999 10.478 440 HB ILE 55 HB ILE 55 7.352 -1.129 11.629 441 HG12 ILE 55 HG13 ILE 55 5.154 -0.252 12.798 442 HG13 ILE 55 HG12 ILE 55 4.627 -1.919 12.579 443 HG21 ILE 55 HG21 ILE 55 5.322 0.438 10.846 444 HG22 ILE 55 HG22 ILE 55 5.152 -0.873 9.678 445 HG23 ILE 55 HG23 ILE 55 6.675 0.009 9.798 446 HD11 ILE 55 HD11 ILE 55 7.293 -1.477 13.787 447 HD12 ILE 55 HD12 ILE 55 6.089 -2.725 14.111 448 HD13 ILE 55 HD13 ILE 55 5.872 -1.100 14.762 449 H GLU 56 H GLU 56 5.798 -2.475 8.371 450 HA GLU 56 HA GLU 56 8.480 -3.295 7.510 451 HB2 GLU 56 HB3 GLU 56 5.856 -3.099 6.031 452 HB3 GLU 56 HB2 GLU 56 7.389 -3.417 5.231 453 HG2 GLU 56 HG3 GLU 56 7.129 -5.571 5.634 454 HG3 GLU 56 HG2 GLU 56 7.200 -5.242 7.364 455 H GLU 57 H GLU 57 6.043 -0.772 6.932 456 HA GLU 57 HA GLU 57 6.220 1.390 6.252 457 HB2 GLU 57 HB3 GLU 57 8.019 1.205 8.164 458 HB3 GLU 57 HB2 GLU 57 9.153 1.398 6.833 459 HG2 GLU 57 HG3 GLU 57 8.222 3.520 6.257 460 HG3 GLU 57 HG2 GLU 57 6.901 3.307 7.404 461 H TYR 58 H TYR 58 5.846 1.015 4.076 462 HA TYR 58 HA TYR 58 8.143 0.540 2.337 463 HB2 TYR 58 HB3 TYR 58 5.206 0.719 1.634 464 HB3 TYR 58 HB2 TYR 58 6.502 0.207 0.559 465 HD1 TYR 58 HD1 TYR 58 4.853 -0.689 3.780 466 HD2 TYR 58 HD2 TYR 58 7.050 -2.050 0.400 467 HE1 TYR 58 HE1 TYR 58 4.540 -3.013 4.519 468 HE2 TYR 58 HE2 TYR 58 6.742 -4.377 1.129 469 HH TYR 58 HH TYR 58 6.129 -5.366 3.916 470 H THR 59 H THR 59 7.775 1.800 0.103 471 HA THR 59 HA THR 59 7.130 4.601 0.616 472 HB THR 59 HB THR 59 9.795 3.702 -0.496 473 HG1 THR 59 HG1 THR 59 9.043 4.805 1.996 474 HG21 THR 59 HG21 THR 59 8.638 6.434 -0.067 475 HG22 THR 59 HG22 THR 59 9.310 5.746 -1.545 476 HG23 THR 59 HG23 THR 59 10.372 6.135 -0.191 477 H ILE 60 H ILE 60 5.991 5.416 -1.012 478 HA ILE 60 HA ILE 60 5.535 3.889 -3.387 479 HB ILE 60 HB ILE 60 4.675 6.731 -2.856 480 HG12 ILE 60 HG13 ILE 60 2.697 4.611 -2.436 481 HG13 ILE 60 HG12 ILE 60 4.032 4.549 -1.292 482 HG21 ILE 60 HG21 ILE 60 4.037 6.502 -4.999 483 HG22 ILE 60 HG22 ILE 60 2.708 5.569 -4.310 484 HG23 ILE 60 HG23 ILE 60 4.130 4.742 -4.946 485 HD11 ILE 60 HD11 ILE 60 2.723 7.165 -1.782 486 HD12 ILE 60 HD12 ILE 60 3.467 6.526 -0.317 487 HD13 ILE 60 HD13 ILE 60 1.872 5.960 -0.815 488 H LEU 61 H LEU 61 6.788 3.880 -5.121 489 HA LEU 61 HA LEU 61 8.836 5.863 -5.502 490 HB2 LEU 61 HB3 LEU 61 8.003 3.618 -7.339 491 HB3 LEU 61 HB2 LEU 61 9.499 4.528 -7.417 492 HG LEU 61 HG LEU 61 8.676 2.630 -5.219 493 HD11 LEU 61 HD11 LEU 61 9.351 1.311 -7.011 494 HD12 LEU 61 HD12 LEU 61 10.824 1.494 -6.059 495 HD13 LEU 61 HD13 LEU 61 10.590 2.460 -7.517 496 HD21 LEU 61 HD21 LEU 61 10.790 3.069 -4.191 497 HD22 LEU 61 HD22 LEU 61 9.969 4.612 -4.429 498 HD23 LEU 61 HD23 LEU 61 11.272 4.130 -5.515 499 H GLN 62 H GLN 62 5.624 5.326 -6.658 500 HA GLN 62 HA GLN 62 5.361 7.855 -7.801 501 HB2 GLN 62 HB3 GLN 62 6.865 6.318 -9.473 502 HB3 GLN 62 HB2 GLN 62 5.250 5.995 -10.088 503 HG2 GLN 62 HG3 GLN 62 5.036 8.608 -9.992 504 HG3 GLN 62 HG2 GLN 62 6.797 8.534 -10.053 505 HE21 GLN 62 HE22 GLN 62 3.883 8.252 -11.800 506 HE22 GLN 62 HE21 GLN 62 4.570 7.880 -13.342 507 H ILE 63 H ILE 63 3.318 7.997 -9.190 508 HA ILE 63 HA ILE 63 1.377 5.980 -8.262 509 HB ILE 63 HB ILE 63 0.773 8.895 -8.750 510 HG12 ILE 63 HG13 ILE 63 2.306 8.690 -6.857 511 HG13 ILE 63 HG12 ILE 63 0.694 9.121 -6.294 512 HG21 ILE 63 HG21 ILE 63 -1.366 8.475 -8.044 513 HG22 ILE 63 HG22 ILE 63 -0.895 7.064 -7.097 514 HG23 ILE 63 HG23 ILE 63 -0.990 6.954 -8.854 515 HD11 ILE 63 HD11 ILE 63 1.596 7.489 -4.817 516 HD12 ILE 63 HD12 ILE 63 2.012 6.423 -6.158 517 HD13 ILE 63 HD13 ILE 63 0.319 6.720 -5.760 518 HA PRO 64 HA PRO 64 1.179 5.817 -12.839 519 HB2 PRO 64 HB2 PRO 64 0.340 3.241 -12.954 520 HB3 PRO 64 HB3 PRO 64 2.040 3.689 -12.780 521 HG2 PRO 64 HG3 PRO 64 0.087 2.821 -10.684 522 HG3 PRO 64 HG2 PRO 64 1.779 2.339 -10.904 523 HD2 PRO 64 HD3 PRO 64 1.015 4.192 -9.081 524 HD3 PRO 64 HD2 PRO 64 2.585 4.256 -9.908 525 H ALA 65 H ALA 65 -1.127 5.471 -10.340 526 HA ALA 65 HA ALA 65 -3.385 5.735 -10.250 527 HB1 ALA 65 HB1 ALA 65 -4.338 6.808 -12.491 528 HB2 ALA 65 HB2 ALA 65 -2.625 7.143 -12.747 529 HB3 ALA 65 HB3 ALA 65 -3.437 7.749 -11.303 530 H LEU 66 H LEU 66 -2.358 3.216 -11.079 531 HA LEU 66 HA LEU 66 -4.137 2.284 -13.186 532 HB2 LEU 66 HB3 LEU 66 -1.671 1.363 -11.947 533 HB3 LEU 66 HB2 LEU 66 -2.847 0.072 -12.106 534 HG LEU 66 HG LEU 66 -3.044 0.874 -14.570 535 HD11 LEU 66 HD11 LEU 66 -1.390 2.163 -15.471 536 HD12 LEU 66 HD12 LEU 66 -0.217 1.725 -14.229 537 HD13 LEU 66 HD13 LEU 66 -1.493 2.887 -13.866 538 HD21 LEU 66 HD21 LEU 66 -0.442 -0.427 -13.838 539 HD22 LEU 66 HD22 LEU 66 -1.493 -0.748 -15.217 540 HD23 LEU 66 HD23 LEU 66 -1.985 -1.248 -13.598 541 H LYS 67 H LYS 67 -5.151 0.032 -12.702 542 HA LYS 67 HA LYS 67 -6.623 0.284 -10.167 543 HB2 LYS 67 HB3 LYS 67 -7.420 -0.954 -12.803 544 HB3 LYS 67 HB2 LYS 67 -8.364 -1.117 -11.329 545 HG2 LYS 67 HG3 LYS 67 -8.295 1.477 -11.304 546 HG3 LYS 67 HG2 LYS 67 -7.890 1.300 -13.013 547 HD2 LYS 67 HD3 LYS 67 -10.132 -0.374 -12.188 548 HD3 LYS 67 HD2 LYS 67 -10.430 1.350 -11.950 549 HE2 LYS 67 HE3 LYS 67 -9.442 0.134 -14.525 550 HE3 LYS 67 HE2 LYS 67 -11.134 0.486 -14.180 551 HZ1 LYS 67 HZ1 LYS 67 -9.773 2.207 -15.466 552 HZ2 LYS 67 HZ2 LYS 67 -9.076 2.591 -13.972 553 HZ3 LYS 67 HZ3 LYS 67 -10.745 2.758 -14.196 554 H ASN 68 H ASN 68 -4.708 -1.841 -12.149 555 HA ASN 68 HA ASN 68 -4.213 -3.589 -9.943 556 HB2 ASN 68 HB3 ASN 68 -6.450 -4.385 -10.813 557 HB3 ASN 68 HB2 ASN 68 -5.631 -4.820 -12.310 558 HD21 ASN 68 HD22 ASN 68 -6.391 -5.750 -9.143 559 HD22 ASN 68 HD21 ASN 68 -5.486 -7.221 -9.101 560 H VAL 69 H VAL 69 -2.054 -3.302 -10.273 561 HA VAL 69 HA VAL 69 -0.874 -3.576 -12.885 562 HB VAL 69 HB VAL 69 0.555 -3.450 -10.230 563 HG11 VAL 69 HG11 VAL 69 2.467 -2.809 -11.449 564 HG12 VAL 69 HG12 VAL 69 1.536 -2.543 -12.923 565 HG13 VAL 69 HG13 VAL 69 1.790 -4.182 -12.324 566 HG21 VAL 69 HG21 VAL 69 -0.716 -1.323 -11.882 567 HG22 VAL 69 HG22 VAL 69 0.802 -0.963 -11.060 568 HG23 VAL 69 HG23 VAL 69 -0.605 -1.476 -10.128 569 HA PRO 70 HA PRO 70 -0.285 -7.978 -12.537 570 HB2 PRO 70 HB2 PRO 70 1.218 -8.361 -14.734 571 HB3 PRO 70 HB3 PRO 70 -0.502 -7.964 -14.838 572 HG2 PRO 70 HG3 PRO 70 1.878 -6.180 -15.169 573 HG3 PRO 70 HG2 PRO 70 0.386 -6.245 -16.124 574 HD2 PRO 70 HD3 PRO 70 0.849 -4.397 -14.162 575 HD3 PRO 70 HD2 PRO 70 -0.772 -4.949 -14.629 576 H ARG 71 H ARG 71 1.871 -9.423 -13.185 577 HA ARG 71 HA ARG 71 3.781 -8.662 -11.146 578 HB2 ARG 71 HB3 ARG 71 2.781 -11.057 -11.825 579 HB3 ARG 71 HB2 ARG 71 4.227 -11.073 -12.824 580 HG2 ARG 71 HG3 ARG 71 5.636 -11.160 -11.034 581 HG3 ARG 71 HG2 ARG 71 4.511 -10.316 -9.967 582 HD2 ARG 71 HD3 ARG 71 3.149 -12.277 -9.754 583 HD3 ARG 71 HD2 ARG 71 4.090 -13.123 -10.982 584 HE ARG 71 HE ARG 71 4.760 -12.785 -8.206 585 HH11 ARG 71 HH11 ARG 71 6.022 -13.388 -11.403 586 HH12 ARG 71 HH12 ARG 71 7.457 -14.166 -10.826 587 HH21 ARG 71 HH22 ARG 71 6.647 -13.808 -7.445 588 HH22 ARG 71 HH21 ARG 71 7.812 -14.405 -8.579 589 H LYS 72 H LYS 72 4.695 -6.818 -12.207 590 HA LYS 72 HA LYS 72 7.090 -7.366 -13.572 591 HB2 LYS 72 HB3 LYS 72 4.722 -6.901 -15.242 592 HB3 LYS 72 HB2 LYS 72 6.078 -5.850 -15.627 593 HG2 LYS 72 HG3 LYS 72 6.862 -8.631 -15.281 594 HG3 LYS 72 HG2 LYS 72 5.684 -8.395 -16.574 595 HD2 LYS 72 HD3 LYS 72 7.656 -8.072 -17.713 596 HD3 LYS 72 HD2 LYS 72 7.267 -6.417 -17.239 597 HE2 LYS 72 HE3 LYS 72 8.730 -6.697 -15.255 598 HE3 LYS 72 HE2 LYS 72 9.186 -8.290 -15.858 599 HZ1 LYS 72 HZ1 LYS 72 9.829 -5.638 -16.974 600 HZ2 LYS 72 HZ2 LYS 72 9.845 -7.007 -17.967 601 HZ3 LYS 72 HZ3 LYS 72 10.869 -6.926 -16.623 602 H ASP 73 H ASP 73 4.535 -4.974 -13.054 603 HA ASP 73 HA ASP 73 6.612 -2.928 -12.647 604 HB2 ASP 73 HB3 ASP 73 3.788 -2.785 -13.634 605 HB3 ASP 73 HB2 ASP 73 4.503 -1.378 -12.850 606 H THR 74 H THR 74 4.249 -4.815 -11.071 607 HA THR 74 HA THR 74 3.343 -3.194 -9.023 608 HB THR 74 HB THR 74 2.423 -5.381 -9.276 609 HG1 THR 74 HG1 THR 74 2.535 -6.113 -7.167 610 HG21 THR 74 HG21 THR 74 3.916 -6.873 -10.098 611 HG22 THR 74 HG22 THR 74 3.974 -7.328 -8.395 612 HG23 THR 74 HG23 THR 74 5.231 -6.294 -9.075 613 H HIS 75 H HIS 75 6.482 -4.647 -9.464 614 HA HIS 75 HA HIS 75 7.308 -3.837 -6.774 615 HB2 HIS 75 HB3 HIS 75 9.345 -5.122 -7.207 616 HB3 HIS 75 HB2 HIS 75 7.915 -6.105 -7.504 617 HD1 HIS 75 HD1 HIS 75 10.993 -4.925 -9.075 618 HD2 HIS 75 HD2 HIS 75 7.341 -6.456 -10.335 619 HE1 HIS 75 HE1 HIS 75 11.349 -5.637 -11.461 620 HE2 HIS 75 HE2 HIS 75 9.150 -6.636 -12.176 621 H LEU 76 H LEU 76 6.751 -1.921 -8.955 622 HA LEU 76 HA LEU 76 9.371 -0.589 -8.954 623 HB2 LEU 76 HB3 LEU 76 7.650 -1.284 -11.246 624 HB3 LEU 76 HB2 LEU 76 8.281 0.352 -11.254 625 HG LEU 76 HG LEU 76 10.256 -1.781 -10.714 626 HD11 LEU 76 HD11 LEU 76 8.855 -2.814 -12.451 627 HD12 LEU 76 HD12 LEU 76 10.468 -2.409 -13.041 628 HD13 LEU 76 HD13 LEU 76 9.092 -1.391 -13.467 629 HD21 LEU 76 HD21 LEU 76 10.620 0.250 -12.819 630 HD22 LEU 76 HD22 LEU 76 11.714 -0.268 -11.536 631 HD23 LEU 76 HD23 LEU 76 10.411 0.865 -11.180 632 H TYR 77 H TYR 77 6.407 -0.429 -7.730 633 HA TYR 77 HA TYR 77 6.269 2.505 -7.959 634 HB2 TYR 77 HB3 TYR 77 4.013 0.515 -7.672 635 HB3 TYR 77 HB2 TYR 77 3.814 2.257 -7.502 636 HD1 TYR 77 HD1 TYR 77 4.984 3.586 -9.583 637 HD2 TYR 77 HD2 TYR 77 3.380 -0.354 -9.704 638 HE1 TYR 77 HE1 TYR 77 4.678 3.791 -12.014 639 HE2 TYR 77 HE2 TYR 77 3.070 -0.159 -12.136 640 HH TYR 77 HH TYR 77 4.494 2.265 -13.982 641 H ILE 78 H ILE 78 6.602 -0.176 -5.866 642 HA ILE 78 HA ILE 78 6.751 1.592 -3.578 643 HB ILE 78 HB ILE 78 4.382 0.958 -3.574 644 HG12 ILE 78 HG13 ILE 78 5.959 -0.416 -1.386 645 HG13 ILE 78 HG12 ILE 78 5.568 1.301 -1.435 646 HG21 ILE 78 HG21 ILE 78 5.446 -1.857 -3.484 647 HG22 ILE 78 HG22 ILE 78 4.450 -1.128 -4.743 648 HG23 ILE 78 HG23 ILE 78 3.774 -1.416 -3.140 649 HD11 ILE 78 HD11 ILE 78 4.113 -0.642 -0.179 650 HD12 ILE 78 HD12 ILE 78 3.231 -0.414 -1.689 651 HD13 ILE 78 HD13 ILE 78 3.526 0.960 -0.623 652 H ALA 79 H ALA 79 8.201 0.905 -2.083 653 HA ALA 79 HA ALA 79 9.142 -1.866 -2.193 654 HB1 ALA 79 HB1 ALA 79 11.307 -1.395 -2.697 655 HB2 ALA 79 HB2 ALA 79 11.246 0.209 -1.965 656 HB3 ALA 79 HB3 ALA 79 10.541 -0.061 -3.559 657 HA PRO 80 HA PRO 80 9.116 -1.437 2.206 658 HB2 PRO 80 HB2 PRO 80 10.820 -3.415 2.911 659 HB3 PRO 80 HB3 PRO 80 9.204 -3.738 2.271 660 HG2 PRO 80 HG3 PRO 80 11.846 -3.798 0.862 661 HG3 PRO 80 HG2 PRO 80 10.493 -4.939 0.752 662 HD2 PRO 80 HD3 PRO 80 10.951 -3.011 -1.106 663 HD3 PRO 80 HD2 PRO 80 9.325 -3.607 -0.716 664 H LYS 81 H LYS 81 10.035 0.399 2.947 665 HA LYS 81 HA LYS 81 12.813 1.000 2.577 666 HB2 LYS 81 HB3 LYS 81 10.626 2.536 2.993 667 HB3 LYS 81 HB2 LYS 81 11.280 2.489 4.624 668 HG2 LYS 81 HG3 LYS 81 13.447 3.284 3.730 669 HG3 LYS 81 HG2 LYS 81 12.693 3.437 2.142 670 HD2 LYS 81 HD3 LYS 81 11.320 5.187 2.828 671 HD3 LYS 81 HD2 LYS 81 11.501 4.786 4.537 672 HE2 LYS 81 HE3 LYS 81 13.760 5.587 4.547 673 HE3 LYS 81 HE2 LYS 81 13.740 5.808 2.798 674 HZ1 LYS 81 HZ1 LYS 81 13.310 7.921 3.458 675 HZ2 LYS 81 HZ2 LYS 81 12.546 7.456 4.894 676 HZ3 LYS 81 HZ3 LYS 81 11.717 7.351 3.423 677 H THR 82 H THR 82 14.298 1.458 4.363 678 HA THR 82 HA THR 82 13.755 0.071 6.867 679 HB THR 82 HB THR 82 16.389 -0.582 5.691 680 HG1 THR 82 HG1 THR 82 15.668 -1.898 4.183 681 HG21 THR 82 HG21 THR 82 14.674 -2.731 6.663 682 HG22 THR 82 HG22 THR 82 15.000 -1.473 7.854 683 HG23 THR 82 HG23 THR 82 16.338 -2.322 7.080 684 H LYS 83 H LYS 83 15.154 0.667 8.578 685 HA LYS 83 HA LYS 83 17.133 2.740 8.065 686 HB2 LYS 83 HB3 LYS 83 14.698 3.163 9.802 687 HB3 LYS 83 HB2 LYS 83 16.121 4.195 9.849 688 HG2 LYS 83 HG3 LYS 83 14.549 3.713 7.336 689 HG3 LYS 83 HG2 LYS 83 14.182 5.018 8.466 690 HD2 LYS 83 HD3 LYS 83 17.004 4.820 7.664 691 HD3 LYS 83 HD2 LYS 83 15.886 5.238 6.364 692 HE2 LYS 83 HE3 LYS 83 16.635 7.278 7.334 693 HE3 LYS 83 HE2 LYS 83 14.969 7.031 7.857 694 HZ1 LYS 83 HZ1 LYS 83 17.027 5.965 9.609 695 HZ2 LYS 83 HZ2 LYS 83 15.586 6.765 9.991 696 HZ3 LYS 83 HZ3 LYS 83 16.946 7.651 9.515 697 H GLU 84 H GLU 84 18.670 2.962 9.695 698 HA GLU 84 HA GLU 84 19.079 0.648 11.305 699 HB2 GLU 84 HB3 GLU 84 20.548 3.145 10.712 700 HB3 GLU 84 HB2 GLU 84 20.907 2.400 12.262 701 HG2 GLU 84 HG3 GLU 84 22.337 1.091 11.199 702 HG3 GLU 84 HG2 GLU 84 20.950 0.294 10.460
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