NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
27237 | 2poa | 6150 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 6.018 -15.188 6.380 2 H2 MET 1 2H MET 1 5.214 -16.598 6.529 3 HA MET 1 HA MET 1 4.032 -14.820 7.589 4 HB2 MET 1 1HB MET 1 4.987 -13.078 6.093 5 HB3 MET 1 2HB MET 1 3.959 -13.614 4.760 6 HG2 MET 1 1HG MET 1 2.856 -12.540 7.451 7 HG3 MET 1 2HG MET 1 3.163 -11.540 6.021 8 HE1 MET 1 3HE MET 1 0.557 -10.890 6.585 9 HE2 MET 1 1HE MET 1 -0.798 -12.004 6.286 10 HE3 MET 1 2HE MET 1 0.267 -12.249 7.704 11 H SER 2 H SER 2 2.451 -16.078 8.049 12 HA SER 2 HA SER 2 0.009 -15.992 6.409 13 HB2 SER 2 1HB SER 2 1.141 -18.833 6.831 14 HB3 SER 2 2HB SER 2 -0.536 -18.466 6.374 15 HG SER 2 HG SER 2 1.512 -17.247 4.882 16 H SER 3 H SER 3 -1.038 -15.193 7.963 17 HA SER 3 HA SER 3 -1.939 -16.540 10.443 18 HB2 SER 3 1HB SER 3 0.295 -16.096 11.270 19 HB3 SER 3 2HB SER 3 0.320 -14.437 10.662 20 HG SER 3 HG SER 3 -0.127 -14.238 12.768 21 H PHE 4 H PHE 4 -1.183 -13.307 9.350 22 HA PHE 4 HA PHE 4 -4.094 -12.427 9.661 23 HB2 PHE 4 1HB PHE 4 -3.283 -10.079 9.748 24 HB3 PHE 4 2HB PHE 4 -2.939 -11.106 11.095 25 HD1 PHE 4 HD1 PHE 4 -0.558 -11.816 11.590 26 HD2 PHE 4 HD2 PHE 4 -1.462 -9.046 8.414 27 HE1 PHE 4 HE1 PHE 4 1.776 -11.032 11.598 28 HE2 PHE 4 HE2 PHE 4 0.866 -8.227 8.494 29 HZ PHE 4 HZ PHE 4 2.476 -9.232 10.080 30 H LEU 5 H LEU 5 -3.639 -13.942 7.548 31 HA LEU 5 HA LEU 5 -3.560 -12.322 5.063 32 HB2 LEU 5 1HB LEU 5 -4.325 -15.234 5.606 33 HB3 LEU 5 2HB LEU 5 -4.407 -14.506 4.017 34 HG LEU 5 HG LEU 5 -1.817 -14.548 5.689 35 HD11 LEU 5 1HD1 LEU 5 -2.540 -16.887 5.116 36 HD12 LEU 5 2HD1 LEU 5 -2.740 -16.437 3.407 37 HD13 LEU 5 3HD1 LEU 5 -1.129 -16.433 4.148 38 HD21 LEU 5 3HD2 LEU 5 -1.787 -12.750 3.918 39 HD22 LEU 5 1HD2 LEU 5 -0.709 -14.056 3.481 40 HD23 LEU 5 2HD2 LEU 5 -2.287 -13.934 2.697 41 H GLY 6 H GLY 6 -5.226 -11.325 4.122 42 HA2 GLY 6 1HA GLY 6 -7.976 -11.857 3.832 43 HA3 GLY 6 2HA GLY 6 -7.915 -11.226 5.488 44 H LYS 7 H LYS 7 -9.458 -9.871 4.174 45 HA LYS 7 HA LYS 7 -8.019 -7.347 3.315 46 HB2 LYS 7 1HB LYS 7 -9.989 -6.366 2.430 47 HB3 LYS 7 2HB LYS 7 -9.607 -7.876 1.672 48 HG2 LYS 7 1HG LYS 7 -11.463 -8.723 3.582 49 HG3 LYS 7 2HG LYS 7 -12.021 -7.084 3.286 50 HD2 LYS 7 1HD LYS 7 -12.337 -7.477 0.906 51 HD3 LYS 7 2HD LYS 7 -11.443 -8.982 0.911 52 HE2 LYS 7 1HE LYS 7 -14.128 -8.580 2.417 53 HE3 LYS 7 2HE LYS 7 -13.987 -9.217 0.779 54 HZ1 LYS 7 3HZ LYS 7 -12.696 -10.483 3.213 55 HZ2 LYS 7 1HZ LYS 7 -14.005 -11.102 2.458 56 HZ3 LYS 7 2HZ LYS 7 -12.547 -11.067 1.681 57 H TRP 8 H TRP 8 -8.356 -5.425 4.362 58 HA TRP 8 HA TRP 8 -9.171 -5.715 7.288 59 HB2 TRP 8 1HB TRP 8 -6.446 -4.816 6.106 60 HB3 TRP 8 2HB TRP 8 -6.883 -4.619 7.794 61 HD1 TRP 8 HD1 TRP 8 -5.420 -7.273 5.405 62 HE1 TRP 8 HE1 TRP 8 -4.765 -9.475 6.718 63 HE3 TRP 8 HE3 TRP 8 -7.750 -6.090 9.800 64 HZ2 TRP 8 HZ2 TRP 8 -5.441 -10.491 9.273 65 HZ3 TRP 8 HZ3 TRP 8 -7.592 -7.678 11.699 66 HH2 TRP 8 HH2 TRP 8 -6.421 -9.833 11.446 67 H LYS 9 H LYS 9 -10.388 -3.928 7.846 68 HA LYS 9 HA LYS 9 -9.905 -1.331 6.302 69 HB2 LYS 9 1HB LYS 9 -12.684 -2.449 7.025 70 HB3 LYS 9 2HB LYS 9 -12.354 -0.780 6.596 71 HG2 LYS 9 1HG LYS 9 -11.122 -1.922 4.439 72 HG3 LYS 9 2HG LYS 9 -12.179 -3.256 4.805 73 HD2 LYS 9 1HD LYS 9 -12.886 -0.333 4.138 74 HD3 LYS 9 2HD LYS 9 -13.050 -1.711 3.076 75 HE2 LYS 9 1HE LYS 9 -14.885 -2.682 4.516 76 HE3 LYS 9 2HE LYS 9 -14.694 -1.375 5.691 77 HZ1 LYS 9 3HZ LYS 9 -15.272 0.260 3.924 78 HZ2 LYS 9 1HZ LYS 9 -15.417 -0.913 2.791 79 HZ3 LYS 9 2HZ LYS 9 -16.495 -0.831 4.033 80 H LEU 10 H LEU 10 -9.760 0.390 7.449 81 HA LEU 10 HA LEU 10 -8.786 0.243 10.035 82 HB2 LEU 10 1HB LEU 10 -8.344 1.979 8.233 83 HB3 LEU 10 2HB LEU 10 -9.838 2.787 8.695 84 HG LEU 10 HG LEU 10 -8.844 3.008 11.089 85 HD11 LEU 10 1HD1 LEU 10 -6.932 1.317 10.840 86 HD12 LEU 10 2HD1 LEU 10 -6.183 2.376 9.631 87 HD13 LEU 10 3HD1 LEU 10 -6.381 2.928 11.308 88 HD21 LEU 10 3HD2 LEU 10 -7.432 4.452 8.738 89 HD22 LEU 10 1HD2 LEU 10 -8.981 4.926 9.473 90 HD23 LEU 10 2HD2 LEU 10 -7.487 5.008 10.420 91 H SER 11 H SER 11 -9.498 0.311 12.008 92 HA SER 11 HA SER 11 -12.412 0.613 12.659 93 HB2 SER 11 1HB SER 11 -11.113 -1.417 13.395 94 HB3 SER 11 2HB SER 11 -10.126 -0.406 14.446 95 HG SER 11 HG SER 11 -12.169 0.294 15.419 96 H GLU 12 H GLU 12 -9.249 1.950 13.582 97 HA GLU 12 HA GLU 12 -10.596 4.453 14.614 98 HB2 GLU 12 1HB GLU 12 -8.992 4.706 16.502 99 HB3 GLU 12 2HB GLU 12 -10.202 3.461 16.714 100 HG2 GLU 12 1HG GLU 12 -8.687 1.671 16.406 101 HG3 GLU 12 2HG GLU 12 -7.417 2.659 15.689 102 H SER 13 H SER 13 -9.819 6.137 13.664 103 HA SER 13 HA SER 13 -6.970 6.224 12.534 104 HB2 SER 13 1HB SER 13 -8.715 6.951 10.963 105 HB3 SER 13 2HB SER 13 -9.394 8.097 12.126 106 HG SER 13 HG SER 13 -7.526 9.315 12.010 107 H HIS 14 H HIS 14 -6.093 6.201 14.659 108 HA HIS 14 HA HIS 14 -6.927 8.082 16.710 109 HB2 HIS 14 1HB HIS 14 -5.923 5.763 16.991 110 HB3 HIS 14 2HB HIS 14 -4.333 6.436 16.681 111 HD1 HIS 14 HD1 HIS 14 -3.575 8.460 18.597 112 HD2 HIS 14 HD2 HIS 14 -6.852 5.827 19.492 113 HE1 HIS 14 HE1 HIS 14 -3.991 8.407 21.149 114 HE2 HIS 14 HE2 HIS 14 -5.971 6.857 21.779 115 H ASN 15 H ASN 15 -3.834 8.177 14.924 116 HA ASN 15 HA ASN 15 -4.371 11.063 14.568 117 HB2 ASN 15 1HB ASN 15 -2.773 10.960 16.600 118 HB3 ASN 15 2HB ASN 15 -1.547 10.275 15.558 119 HD21 ASN 15 1HD2 ASN 15 -3.611 13.008 14.370 120 HD22 ASN 15 2HD2 ASN 15 -2.290 14.197 14.761 121 H PHE 16 H PHE 16 -4.652 8.854 12.904 122 HA PHE 16 HA PHE 16 -2.502 8.834 10.900 123 HB2 PHE 16 1HB PHE 16 -3.823 6.904 11.606 124 HB3 PHE 16 2HB PHE 16 -5.315 7.637 11.059 125 HD1 PHE 16 HD1 PHE 16 -1.886 6.781 9.650 126 HD2 PHE 16 HD2 PHE 16 -6.140 6.836 9.046 127 HE1 PHE 16 HE1 PHE 16 -1.610 5.658 7.423 128 HE2 PHE 16 HE2 PHE 16 -5.884 5.702 6.924 129 HZ PHE 16 HZ PHE 16 -3.637 5.075 6.073 130 H ASP 17 H ASP 17 -2.769 11.196 10.959 131 HA ASP 17 HA ASP 17 -3.906 12.449 8.499 132 HB2 ASP 17 1HB ASP 17 -5.269 14.080 9.926 133 HB3 ASP 17 2HB ASP 17 -5.891 12.486 9.605 134 H ALA 18 H ALA 18 -2.599 13.282 11.715 135 HA ALA 18 HA ALA 18 -0.884 15.494 10.579 136 HB1 ALA 18 3HB ALA 18 -1.755 15.461 13.073 137 HB2 ALA 18 1HB ALA 18 -0.418 14.284 13.358 138 HB3 ALA 18 2HB ALA 18 -0.067 15.915 12.777 139 H VAL 19 H VAL 19 -0.487 12.098 11.367 140 HA VAL 19 HA VAL 19 2.395 11.863 10.963 141 HB VAL 19 HB VAL 19 0.744 10.161 11.914 142 HG11 VAL 19 1HG1 VAL 19 -0.247 8.458 10.558 143 HG12 VAL 19 2HG1 VAL 19 -0.854 10.049 10.023 144 HG13 VAL 19 3HG1 VAL 19 0.342 9.173 9.038 145 HG21 VAL 19 3HG2 VAL 19 3.179 9.732 11.547 146 HG22 VAL 19 1HG2 VAL 19 2.244 8.272 11.284 147 HG23 VAL 19 2HG2 VAL 19 2.842 9.182 9.879 148 H MET 20 H MET 20 -0.208 12.095 8.744 149 HA MET 20 HA MET 20 1.374 11.635 6.256 150 HB2 MET 20 1HB MET 20 -1.525 12.619 6.761 151 HB3 MET 20 2HB MET 20 -0.826 12.579 5.168 152 HG2 MET 20 1HG MET 20 -0.444 10.069 5.371 153 HG3 MET 20 2HG MET 20 -1.262 10.110 6.949 154 HE1 MET 20 3HE MET 20 -3.965 8.579 4.527 155 HE2 MET 20 1HE MET 20 -2.219 8.269 4.730 156 HE3 MET 20 2HE MET 20 -3.267 8.457 6.169 157 H SER 21 H SER 21 -0.108 14.503 7.881 158 HA SER 21 HA SER 21 1.186 16.408 6.075 159 HB2 SER 21 1HB SER 21 -0.736 16.966 7.733 160 HB3 SER 21 2HB SER 21 0.417 16.896 9.054 161 HG SER 21 HG SER 21 1.632 18.552 7.869 162 H LYS 22 H LYS 22 2.455 14.986 9.067 163 HA LYS 22 HA LYS 22 4.967 16.471 9.189 164 HB2 LYS 22 1HB LYS 22 3.898 15.063 11.005 165 HB3 LYS 22 2HB LYS 22 4.148 13.661 10.010 166 HG2 LYS 22 1HG LYS 22 5.893 13.356 11.390 167 HG3 LYS 22 2HG LYS 22 6.756 14.264 10.173 168 HD2 LYS 22 1HD LYS 22 6.313 16.422 11.504 169 HD3 LYS 22 2HD LYS 22 5.478 15.500 12.737 170 HE2 LYS 22 1HE LYS 22 8.480 15.182 12.018 171 HE3 LYS 22 2HE LYS 22 7.838 16.194 13.306 172 HZ1 LYS 22 3HZ LYS 22 7.780 13.180 13.244 173 HZ2 LYS 22 1HZ LYS 22 8.448 14.158 14.405 174 HZ3 LYS 22 2HZ LYS 22 6.832 14.041 14.311 175 H LEU 23 H LEU 23 4.150 13.543 7.515 176 HA LEU 23 HA LEU 23 6.702 13.196 6.020 177 HB2 LEU 23 1HB LEU 23 4.713 11.454 6.397 178 HB3 LEU 23 2HB LEU 23 3.910 12.304 5.101 179 HG LEU 23 HG LEU 23 6.267 11.961 3.825 180 HD11 LEU 23 1HD1 LEU 23 6.360 9.433 5.572 181 HD12 LEU 23 2HD1 LEU 23 7.620 10.150 4.535 182 HD13 LEU 23 3HD1 LEU 23 7.222 10.881 6.083 183 HD21 LEU 23 3HD2 LEU 23 4.058 10.989 3.087 184 HD22 LEU 23 1HD2 LEU 23 5.379 9.841 2.845 185 HD23 LEU 23 2HD2 LEU 23 4.271 9.625 4.210 186 H GLY 24 H GLY 24 3.681 14.888 5.329 187 HA2 GLY 24 1HA GLY 24 3.831 17.165 4.196 188 HA3 GLY 24 2HA GLY 24 5.106 16.561 3.165 189 H VAL 25 H VAL 25 1.813 15.716 4.003 190 HA VAL 25 HA VAL 25 1.239 14.751 1.233 191 HB VAL 25 HB VAL 25 -0.179 14.390 3.930 192 HG11 VAL 25 1HG1 VAL 25 -1.459 12.521 2.868 193 HG12 VAL 25 2HG1 VAL 25 -1.881 14.040 2.069 194 HG13 VAL 25 3HG1 VAL 25 -0.776 12.910 1.274 195 HG21 VAL 25 3HG2 VAL 25 0.815 12.019 3.680 196 HG22 VAL 25 1HG2 VAL 25 1.563 12.494 2.139 197 HG23 VAL 25 2HG2 VAL 25 2.087 13.257 3.657 198 H SER 26 H SER 26 -0.299 15.294 -0.077 199 HA SER 26 HA SER 26 -1.113 17.995 -0.354 200 HB2 SER 26 1HB SER 26 -2.346 15.517 -1.717 201 HB3 SER 26 2HB SER 26 -2.443 17.182 -2.307 202 HG SER 26 HG SER 26 -0.114 15.526 -1.998 203 H TRP 27 H TRP 27 -3.116 19.130 -0.173 204 HA TRP 27 HA TRP 27 -5.117 18.067 1.767 205 HB2 TRP 27 1HB TRP 27 -4.866 20.733 0.276 206 HB3 TRP 27 2HB TRP 27 -6.338 20.339 1.130 207 HD1 TRP 27 HD1 TRP 27 -3.238 22.164 1.874 208 HE1 TRP 27 HE1 TRP 27 -3.083 22.752 4.421 209 HE3 TRP 27 HE3 TRP 27 -6.683 18.725 3.533 210 HZ2 TRP 27 HZ2 TRP 27 -4.302 21.711 6.774 211 HZ3 TRP 27 HZ3 TRP 27 -7.170 18.615 5.961 212 HH2 TRP 27 HH2 TRP 27 -6.012 20.082 7.549 213 H ALA 28 H ALA 28 -5.247 16.317 0.237 214 HA ALA 28 HA ALA 28 -8.118 16.064 -0.452 215 HB1 ALA 28 3HB ALA 28 -6.112 15.577 -2.770 216 HB2 ALA 28 1HB ALA 28 -7.876 15.332 -2.805 217 HB3 ALA 28 2HB ALA 28 -7.221 16.961 -2.653 218 H THR 29 H THR 29 -4.937 14.497 -0.779 219 HA THR 29 HA THR 29 -5.895 11.770 0.039 220 HB THR 29 HB THR 29 -3.351 11.302 0.198 221 HG1 THR 29 HG1 THR 29 -1.950 12.887 -0.768 222 HG21 THR 29 3HG2 THR 29 -4.152 12.427 -2.540 223 HG22 THR 29 1HG2 THR 29 -2.865 11.259 -2.170 224 HG23 THR 29 2HG2 THR 29 -4.569 10.801 -1.928 225 H ARG 30 H ARG 30 -4.798 14.540 1.790 226 HA ARG 30 HA ARG 30 -3.729 13.113 4.153 227 HB2 ARG 30 1HB ARG 30 -3.323 15.588 3.272 228 HB3 ARG 30 2HB ARG 30 -4.832 15.974 4.077 229 HG2 ARG 30 1HG ARG 30 -3.629 14.848 6.219 230 HG3 ARG 30 2HG ARG 30 -2.168 14.920 5.259 231 HD2 ARG 30 1HD ARG 30 -3.987 17.377 5.813 232 HD3 ARG 30 2HD ARG 30 -2.672 16.859 6.868 233 HE ARG 30 HE ARG 30 -1.723 17.184 4.041 234 HH11 ARG 30 1HH1 ARG 30 -2.426 19.049 6.891 235 HH12 ARG 30 2HH1 ARG 30 -1.335 20.404 6.327 236 HH21 ARG 30 1HH2 ARG 30 -0.568 18.671 3.449 237 HH22 ARG 30 2HH2 ARG 30 -0.364 20.218 4.419 238 H GLN 31 H GLN 31 -6.844 13.493 3.032 239 HA GLN 31 HA GLN 31 -8.131 13.323 5.793 240 HB2 GLN 31 1HB GLN 31 -9.983 14.613 5.171 241 HB3 GLN 31 2HB GLN 31 -8.519 15.478 4.795 242 HG2 GLN 31 1HG GLN 31 -9.194 14.189 2.296 243 HG3 GLN 31 2HG GLN 31 -10.746 14.528 3.003 244 HE21 GLN 31 1HE2 GLN 31 -7.621 16.094 2.477 245 HE22 GLN 31 2HE2 GLN 31 -8.375 17.660 1.855 246 H ILE 32 H ILE 32 -7.958 11.704 2.695 247 HA ILE 32 HA ILE 32 -10.299 9.896 3.246 248 HB ILE 32 HB ILE 32 -8.218 10.085 1.061 249 HG12 ILE 32 1HG1 ILE 32 -10.345 9.536 -0.322 250 HG13 ILE 32 2HG1 ILE 32 -11.274 9.573 1.148 251 HG21 ILE 32 1HG2 ILE 32 -7.928 7.673 1.579 252 HG22 ILE 32 2HG2 ILE 32 -9.678 7.414 1.570 253 HG23 ILE 32 3HG2 ILE 32 -8.828 7.880 0.075 254 HD11 ILE 32 3HD1 ILE 32 -11.323 11.724 -0.227 255 HD12 ILE 32 1HD1 ILE 32 -10.789 12.014 1.441 256 HD13 ILE 32 2HD1 ILE 32 -9.594 11.963 0.126 257 H GLY 33 H GLY 33 -6.992 10.040 4.046 258 HA2 GLY 33 1HA GLY 33 -6.486 7.546 5.530 259 HA3 GLY 33 2HA GLY 33 -5.904 9.121 6.030 260 H ASN 34 H ASN 34 -7.929 10.571 6.908 261 HA ASN 34 HA ASN 34 -9.326 8.874 8.994 262 HB2 ASN 34 1HB ASN 34 -9.412 10.747 10.374 263 HB3 ASN 34 2HB ASN 34 -7.789 10.661 9.724 264 HD21 ASN 34 1HD2 ASN 34 -8.002 12.878 10.774 265 HD22 ASN 34 2HD2 ASN 34 -8.597 14.199 9.643 266 H THR 35 H THR 35 -10.443 8.685 6.436 267 HA THR 35 HA THR 35 -13.274 9.556 7.028 268 HB THR 35 HB THR 35 -11.894 10.395 4.436 269 HG1 THR 35 HG1 THR 35 -11.320 11.799 5.918 270 HG21 THR 35 3HG2 THR 35 -14.768 10.994 5.350 271 HG22 THR 35 1HG2 THR 35 -13.954 11.627 3.898 272 HG23 THR 35 2HG2 THR 35 -14.325 9.896 4.016 273 H VAL 36 H VAL 36 -11.453 8.098 4.219 274 HA VAL 36 HA VAL 36 -13.676 6.046 4.182 275 HB VAL 36 HB VAL 36 -11.733 6.662 1.892 276 HG11 VAL 36 1HG1 VAL 36 -13.390 5.316 0.564 277 HG12 VAL 36 2HG1 VAL 36 -12.875 4.337 1.942 278 HG13 VAL 36 3HG1 VAL 36 -14.457 5.145 1.968 279 HG21 VAL 36 3HG2 VAL 36 -13.917 7.738 0.849 280 HG22 VAL 36 1HG2 VAL 36 -14.471 7.874 2.558 281 HG23 VAL 36 2HG2 VAL 36 -13.013 8.680 2.051 282 H THR 37 H THR 37 -13.037 4.602 5.522 283 HA THR 37 HA THR 37 -10.718 3.943 6.625 284 HB THR 37 HB THR 37 -11.672 1.895 7.457 285 HG1 THR 37 HG1 THR 37 -12.381 1.417 5.172 286 HG21 THR 37 3HG2 THR 37 -13.535 2.720 8.536 287 HG22 THR 37 1HG2 THR 37 -12.996 4.270 7.816 288 HG23 THR 37 2HG2 THR 37 -14.287 3.343 7.053 289 HA PRO 38 HA PRO 38 -8.517 2.347 2.962 290 HB2 PRO 38 1HB PRO 38 -5.928 1.865 4.113 291 HB3 PRO 38 2HB PRO 38 -6.561 3.274 3.258 292 HG2 PRO 38 1HG PRO 38 -6.436 2.822 6.268 293 HG3 PRO 38 2HG PRO 38 -6.177 4.310 5.328 294 HD2 PRO 38 1HD PRO 38 -8.520 3.861 6.693 295 HD3 PRO 38 2HD PRO 38 -8.541 4.700 5.119 296 H THR 39 H THR 39 -8.816 0.566 2.022 297 HA THR 39 HA THR 39 -9.191 -1.986 3.388 298 HB THR 39 HB THR 39 -9.186 -1.391 0.386 299 HG1 THR 39 HG1 THR 39 -10.798 -0.250 0.611 300 HG21 THR 39 3HG2 THR 39 -10.793 -3.459 2.029 301 HG22 THR 39 1HG2 THR 39 -11.088 -3.052 0.324 302 HG23 THR 39 2HG2 THR 39 -9.559 -3.800 0.784 303 H VAL 40 H VAL 40 -6.895 -1.882 4.105 304 HA VAL 40 HA VAL 40 -4.713 -2.466 2.233 305 HB VAL 40 HB VAL 40 -3.155 -2.601 4.105 306 HG11 VAL 40 1HG1 VAL 40 -3.312 -0.221 4.754 307 HG12 VAL 40 2HG1 VAL 40 -3.747 -0.408 3.043 308 HG13 VAL 40 3HG1 VAL 40 -5.020 -0.160 4.260 309 HG21 VAL 40 3HG2 VAL 40 -4.436 -3.534 6.012 310 HG22 VAL 40 1HG2 VAL 40 -3.874 -1.919 6.437 311 HG23 VAL 40 2HG2 VAL 40 -5.572 -2.187 5.976 312 H THR 41 H THR 41 -5.383 -4.269 1.240 313 HA THR 41 HA THR 41 -6.173 -6.643 2.766 314 HB THR 41 HB THR 41 -6.411 -5.808 -0.146 315 HG1 THR 41 HG1 THR 41 -7.605 -4.611 1.152 316 HG21 THR 41 3HG2 THR 41 -7.516 -8.351 1.173 317 HG22 THR 41 1HG2 THR 41 -8.259 -7.555 -0.249 318 HG23 THR 41 2HG2 THR 41 -6.612 -8.186 -0.331 319 H PHE 42 H PHE 42 -4.876 -8.182 3.322 320 HA PHE 42 HA PHE 42 -2.130 -8.349 1.963 321 HB2 PHE 42 1HB PHE 42 -2.564 -7.570 4.520 322 HB3 PHE 42 2HB PHE 42 -2.774 -9.265 4.858 323 HD1 PHE 42 HD1 PHE 42 -0.286 -10.134 2.822 324 HD2 PHE 42 HD2 PHE 42 -0.808 -7.330 6.054 325 HE1 PHE 42 HE1 PHE 42 2.126 -10.213 3.319 326 HE2 PHE 42 HE2 PHE 42 1.612 -7.384 6.477 327 HZ PHE 42 HZ PHE 42 3.078 -8.848 5.124 328 H THR 43 H THR 43 -2.278 -9.915 0.580 329 HA THR 43 HA THR 43 -3.559 -12.585 1.329 330 HB THR 43 HB THR 43 -4.610 -12.573 -0.901 331 HG1 THR 43 HG1 THR 43 -3.359 -10.028 -1.171 332 HG21 THR 43 3HG2 THR 43 -5.239 -9.787 0.207 333 HG22 THR 43 1HG2 THR 43 -6.352 -10.960 -0.531 334 HG23 THR 43 2HG2 THR 43 -5.703 -11.206 1.127 335 H MET 44 H MET 44 -2.631 -14.457 0.515 336 HA MET 44 HA MET 44 0.097 -14.230 -0.689 337 HB2 MET 44 1HB MET 44 -0.454 -15.838 1.128 338 HB3 MET 44 2HB MET 44 -1.477 -16.766 0.029 339 HG2 MET 44 1HG MET 44 0.504 -17.293 -1.419 340 HG3 MET 44 2HG MET 44 1.542 -16.226 -0.472 341 HE1 MET 44 3HE MET 44 1.603 -16.587 2.392 342 HE2 MET 44 1HE MET 44 2.398 -18.161 2.683 343 HE3 MET 44 2HE MET 44 3.003 -17.083 1.397 344 H ASP 45 H ASP 45 0.340 -13.864 -2.818 345 HA ASP 45 HA ASP 45 -1.635 -14.958 -4.865 346 HB2 ASP 45 1HB ASP 45 -1.003 -12.533 -4.865 347 HB3 ASP 45 2HB ASP 45 0.690 -12.951 -5.146 348 H GLY 46 H GLY 46 -1.010 -17.070 -4.427 349 HA2 GLY 46 1HA GLY 46 0.003 -19.110 -5.335 350 HA3 GLY 46 2HA GLY 46 1.236 -18.164 -6.136 351 H ASP 47 H ASP 47 2.671 -17.035 -4.526 352 HA ASP 47 HA ASP 47 3.532 -18.857 -2.244 353 HB2 ASP 47 1HB ASP 47 5.443 -17.933 -4.495 354 HB3 ASP 47 2HB ASP 47 5.989 -18.529 -2.936 355 H LYS 48 H LYS 48 4.120 -15.680 -3.831 356 HA LYS 48 HA LYS 48 4.918 -14.553 -1.123 357 HB2 LYS 48 1HB LYS 48 6.183 -12.929 -2.171 358 HB3 LYS 48 2HB LYS 48 6.588 -14.469 -2.892 359 HG2 LYS 48 1HG LYS 48 5.317 -13.878 -4.961 360 HG3 LYS 48 2HG LYS 48 4.780 -12.359 -4.239 361 HD2 LYS 48 1HD LYS 48 7.081 -11.513 -4.040 362 HD3 LYS 48 2HD LYS 48 7.789 -13.043 -4.523 363 HE2 LYS 48 1HE LYS 48 5.990 -11.330 -6.377 364 HE3 LYS 48 2HE LYS 48 7.746 -11.203 -6.296 365 HZ1 LYS 48 2HZ LYS 48 6.937 -12.707 -8.074 366 HZ3 LYS 48 1HZ LYS 48 6.311 -13.728 -6.962 367 H MET 49 H MET 49 4.295 -12.108 -0.961 368 HA MET 49 HA MET 49 1.280 -12.455 -0.735 369 HB2 MET 49 1HB MET 49 3.216 -10.885 1.076 370 HB3 MET 49 2HB MET 49 1.471 -10.867 1.221 371 HG2 MET 49 1HG MET 49 2.317 -12.423 2.877 372 HG3 MET 49 2HG MET 49 1.387 -13.322 1.681 373 HE1 MET 49 3HE MET 49 5.014 -12.376 2.999 374 HE2 MET 49 1HE MET 49 6.049 -13.439 2.000 375 HE3 MET 49 2HE MET 49 5.274 -12.008 1.271 376 H THR 50 H THR 50 -0.143 -10.734 -0.998 377 HA THR 50 HA THR 50 0.933 -8.335 -2.540 378 HB THR 50 HB THR 50 -1.554 -10.009 -3.240 379 HG1 THR 50 HG1 THR 50 0.401 -11.050 -3.695 380 HG21 THR 50 3HG2 THR 50 -1.719 -7.589 -3.995 381 HG22 THR 50 1HG2 THR 50 -0.161 -7.728 -4.808 382 HG23 THR 50 2HG2 THR 50 -1.528 -8.706 -5.369 383 H MET 51 H MET 51 0.279 -6.548 -1.818 384 HA MET 51 HA MET 51 -1.976 -6.237 0.193 385 HB2 MET 51 1HB MET 51 0.371 -4.496 -0.664 386 HB3 MET 51 2HB MET 51 -1.064 -3.669 -0.140 387 HG2 MET 51 1HG MET 51 -0.077 -5.890 1.712 388 HG3 MET 51 2HG MET 51 0.865 -4.405 1.604 389 HE1 MET 51 3HE MET 51 -0.446 -1.909 1.591 390 HE2 MET 51 1HE MET 51 -1.188 -1.663 3.192 391 HE3 MET 51 2HE MET 51 0.426 -2.419 3.058 392 H LEU 52 H LEU 52 -3.802 -6.448 -0.995 393 HA LEU 52 HA LEU 52 -4.248 -4.921 -3.558 394 HB2 LEU 52 1HB LEU 52 -6.280 -6.658 -2.062 395 HB3 LEU 52 2HB LEU 52 -6.394 -6.088 -3.696 396 HG LEU 52 HG LEU 52 -4.131 -7.961 -2.727 397 HD11 LEU 52 1HD1 LEU 52 -5.312 -9.865 -3.531 398 HD12 LEU 52 2HD1 LEU 52 -6.398 -9.058 -2.397 399 HD13 LEU 52 3HD1 LEU 52 -6.698 -8.902 -4.143 400 HD21 LEU 52 3HD2 LEU 52 -5.174 -7.274 -5.566 401 HD22 LEU 52 1HD2 LEU 52 -3.622 -6.796 -4.828 402 HD23 LEU 52 2HD2 LEU 52 -3.941 -8.502 -5.192 403 H THR 53 H THR 53 -3.721 -3.032 -2.215 404 HA THR 53 HA THR 53 -5.438 -1.849 -0.226 405 HB THR 53 HB THR 53 -3.257 -0.738 -2.065 406 HG1 THR 53 HG1 THR 53 -2.060 -0.982 -0.170 407 HG21 THR 53 3HG2 THR 53 -4.464 0.515 0.503 408 HG22 THR 53 1HG2 THR 53 -2.977 1.079 -0.325 409 HG23 THR 53 2HG2 THR 53 -4.550 1.214 -1.130 410 H GLU 54 H GLU 54 -7.492 -1.643 -0.832 411 HA GLU 54 HA GLU 54 -8.241 0.038 -3.237 412 HB2 GLU 54 1HB GLU 54 -9.589 -2.291 -1.757 413 HB3 GLU 54 2HB GLU 54 -10.537 -1.246 -2.796 414 HG2 GLU 54 1HG GLU 54 -8.043 -2.818 -3.716 415 HG3 GLU 54 2HG GLU 54 -9.716 -3.302 -3.956 416 H SER 55 H SER 55 -7.838 1.922 -2.172 417 HA SER 55 HA SER 55 -10.007 2.955 -0.251 418 HB2 SER 55 1HB SER 55 -7.221 4.155 -0.943 419 HB3 SER 55 2HB SER 55 -8.334 4.790 0.270 420 HG SER 55 HG SER 55 -7.273 2.158 0.275 421 H THR 56 H THR 56 -10.851 5.193 -0.725 422 HA THR 56 HA THR 56 -11.611 5.584 -3.457 423 HB THR 56 HB THR 56 -11.635 7.584 -1.126 424 HG1 THR 56 HG1 THR 56 -13.808 6.287 -2.331 425 HG21 THR 56 3HG2 THR 56 -11.995 8.944 -3.219 426 HG22 THR 56 1HG2 THR 56 -13.207 7.787 -3.791 427 HG23 THR 56 2HG2 THR 56 -13.503 8.746 -2.318 428 H PHE 57 H PHE 57 -8.807 7.016 -1.947 429 HA PHE 57 HA PHE 57 -8.048 8.409 -4.579 430 HB2 PHE 57 1HB PHE 57 -7.342 8.943 -1.646 431 HB3 PHE 57 2HB PHE 57 -6.100 9.251 -2.819 432 HD1 PHE 57 HD1 PHE 57 -9.858 9.952 -2.432 433 HD2 PHE 57 HD2 PHE 57 -6.053 11.442 -3.786 434 HE1 PHE 57 HE1 PHE 57 -10.903 12.085 -3.041 435 HE2 PHE 57 HE2 PHE 57 -7.114 13.545 -4.435 436 HZ PHE 57 HZ PHE 57 -9.545 13.886 -4.066 437 H LYS 58 H LYS 58 -6.939 5.934 -2.344 438 HA LYS 58 HA LYS 58 -4.800 5.179 -4.439 439 HB2 LYS 58 1HB LYS 58 -4.628 4.639 -1.420 440 HB3 LYS 58 2HB LYS 58 -3.541 4.014 -2.649 441 HG2 LYS 58 1HG LYS 58 -3.101 6.520 -3.336 442 HG3 LYS 58 2HG LYS 58 -3.886 6.975 -1.832 443 HD2 LYS 58 1HD LYS 58 -1.421 5.158 -2.192 444 HD3 LYS 58 2HD LYS 58 -1.366 6.847 -1.713 445 HE2 LYS 58 1HE LYS 58 -2.431 6.402 0.471 446 HE3 LYS 58 2HE LYS 58 -2.819 4.737 0.016 447 HZ1 LYS 58 3HZ LYS 58 0.014 5.776 0.304 448 HZ2 LYS 58 1HZ LYS 58 -0.676 4.579 1.212 449 HZ3 LYS 58 2HZ LYS 58 -0.348 4.324 -0.375 450 H ASN 59 H ASN 59 -6.793 4.220 -5.390 451 HA ASN 59 HA ASN 59 -7.198 1.370 -4.432 452 HB2 ASN 59 1HB ASN 59 -8.792 1.070 -6.147 453 HB3 ASN 59 2HB ASN 59 -9.141 2.490 -5.220 454 HD21 ASN 59 1HD2 ASN 59 -8.828 1.311 -8.332 455 HD22 ASN 59 2HD2 ASN 59 -8.883 2.952 -9.169 456 H LEU 60 H LEU 60 -5.331 0.322 -4.563 457 HA LEU 60 HA LEU 60 -4.101 -0.205 -7.241 458 HB2 LEU 60 1HB LEU 60 -1.838 0.604 -6.665 459 HB3 LEU 60 2HB LEU 60 -3.052 1.851 -6.731 460 HG LEU 60 HG LEU 60 -3.192 1.533 -4.059 461 HD11 LEU 60 1HD1 LEU 60 -1.536 -0.394 -3.867 462 HD12 LEU 60 2HD1 LEU 60 -0.294 0.573 -4.668 463 HD13 LEU 60 3HD1 LEU 60 -0.914 1.047 -3.069 464 HD21 LEU 60 3HD2 LEU 60 -0.857 2.999 -5.490 465 HD22 LEU 60 1HD2 LEU 60 -2.491 3.648 -5.219 466 HD23 LEU 60 2HD2 LEU 60 -1.418 3.333 -3.840 467 H SER 61 H SER 61 -3.054 -2.131 -7.419 468 HA SER 61 HA SER 61 -2.688 -3.786 -4.892 469 HB2 SER 61 1HB SER 61 -2.657 -5.759 -6.401 470 HB3 SER 61 2HB SER 61 -4.163 -4.830 -6.570 471 HG SER 61 HG SER 61 -1.903 -4.449 -8.269 472 H VAL 62 H VAL 62 -0.720 -4.367 -4.232 473 HA VAL 62 HA VAL 62 1.658 -4.311 -6.120 474 HB VAL 62 HB VAL 62 2.974 -3.426 -4.206 475 HG11 VAL 62 1HG1 VAL 62 2.558 -1.055 -4.878 476 HG12 VAL 62 2HG1 VAL 62 2.556 -2.130 -6.283 477 HG13 VAL 62 3HG1 VAL 62 1.016 -1.521 -5.636 478 HG21 VAL 62 3HG2 VAL 62 1.861 -1.797 -2.667 479 HG22 VAL 62 1HG2 VAL 62 0.261 -2.384 -3.185 480 HG23 VAL 62 2HG2 VAL 62 1.380 -3.483 -2.335 481 H THR 63 H THR 63 2.999 -5.921 -5.976 482 HA THR 63 HA THR 63 2.466 -8.143 -3.948 483 HB THR 63 HB THR 63 3.465 -8.495 -6.818 484 HG1 THR 63 HG1 THR 63 1.053 -9.431 -5.671 485 HG21 THR 63 3HG2 THR 63 3.029 -10.926 -6.424 486 HG22 THR 63 1HG2 THR 63 4.268 -10.354 -5.281 487 HG23 THR 63 2HG2 THR 63 2.625 -10.622 -4.721 488 H PHE 64 H PHE 64 4.067 -9.163 -2.990 489 HA PHE 64 HA PHE 64 6.937 -8.303 -3.197 490 HB2 PHE 64 1HB PHE 64 7.002 -7.135 -1.035 491 HB3 PHE 64 2HB PHE 64 5.845 -6.406 -2.105 492 HD1 PHE 64 HD1 PHE 64 6.132 -8.428 1.042 493 HD2 PHE 64 HD2 PHE 64 3.452 -6.343 -1.606 494 HE1 PHE 64 HE1 PHE 64 4.401 -8.416 2.792 495 HE2 PHE 64 HE2 PHE 64 1.743 -6.347 0.140 496 HZ PHE 64 HZ PHE 64 2.196 -7.349 2.347 497 H LYS 65 H LYS 65 8.318 -9.173 -1.664 498 HA LYS 65 HA LYS 65 7.377 -11.686 -0.202 499 HB2 LYS 65 1HB LYS 65 9.327 -12.824 -0.450 500 HB3 LYS 65 2HB LYS 65 9.108 -12.141 -2.034 501 HG2 LYS 65 1HG LYS 65 10.827 -10.370 -1.570 502 HG3 LYS 65 2HG LYS 65 10.952 -10.873 0.100 503 HD2 LYS 65 1HD LYS 65 11.611 -13.294 -0.965 504 HD3 LYS 65 2HD LYS 65 11.943 -12.325 -2.386 505 HE2 LYS 65 1HE LYS 65 14.049 -12.321 -1.340 506 HE3 LYS 65 2HE LYS 65 13.419 -10.772 -0.831 507 HZ1 LYS 65 3HZ LYS 65 14.338 -12.029 1.106 508 HZ2 LYS 65 1HZ LYS 65 12.731 -11.858 1.374 509 HZ3 LYS 65 2HZ LYS 65 13.320 -13.293 0.856 510 H PHE 66 H PHE 66 8.734 -12.117 1.861 511 HA PHE 66 HA PHE 66 9.073 -9.631 3.470 512 HB2 PHE 66 1HB PHE 66 9.784 -11.112 5.261 513 HB3 PHE 66 2HB PHE 66 8.132 -11.182 4.766 514 HD1 PHE 66 HD1 PHE 66 11.376 -13.043 4.591 515 HD2 PHE 66 HD2 PHE 66 7.110 -13.319 4.203 516 HE1 PHE 66 HE1 PHE 66 11.538 -15.514 4.558 517 HE2 PHE 66 HE2 PHE 66 7.274 -15.773 4.129 518 HZ PHE 66 HZ PHE 66 9.480 -16.881 4.320 519 H GLY 67 H GLY 67 10.450 -8.783 1.944 520 HA2 GLY 67 1HA GLY 67 13.143 -8.492 3.045 521 HA3 GLY 67 2HA GLY 67 13.271 -9.544 1.638 522 H GLU 68 H GLU 68 11.626 -8.483 -0.176 523 HA GLU 68 HA GLU 68 13.395 -6.260 -1.093 524 HB2 GLU 68 1HB GLU 68 11.026 -7.433 -2.649 525 HB3 GLU 68 2HB GLU 68 12.283 -6.365 -3.245 526 HG2 GLU 68 1HG GLU 68 12.523 -9.313 -2.521 527 HG3 GLU 68 2HG GLU 68 12.796 -8.521 -4.055 528 H GLU 69 H GLU 69 12.916 -4.142 -1.273 529 HA GLU 69 HA GLU 69 10.562 -3.132 0.150 530 HB2 GLU 69 1HB GLU 69 11.434 -0.970 0.111 531 HB3 GLU 69 2HB GLU 69 12.605 -2.157 0.630 532 HG2 GLU 69 1HG GLU 69 13.842 -1.960 -1.563 533 HG3 GLU 69 2HG GLU 69 12.658 -0.798 -2.146 534 H PHE 70 H PHE 70 8.744 -3.473 -0.833 535 HA PHE 70 HA PHE 70 8.242 -3.149 -3.674 536 HB2 PHE 70 1HB PHE 70 6.076 -3.888 -3.376 537 HB3 PHE 70 2HB PHE 70 7.151 -4.780 -2.347 538 HD1 PHE 70 HD1 PHE 70 4.356 -2.284 -2.397 539 HD2 PHE 70 HD2 PHE 70 6.837 -4.716 0.131 540 HE1 PHE 70 HE1 PHE 70 2.784 -1.949 -0.521 541 HE2 PHE 70 HE2 PHE 70 5.222 -4.428 1.974 542 HZ PHE 70 HZ PHE 70 3.202 -3.037 1.656 543 H ASP 71 H ASP 71 7.486 -1.345 -4.899 544 HA ASP 71 HA ASP 71 6.769 1.092 -3.303 545 HB2 ASP 71 1HB ASP 71 7.371 2.525 -4.930 546 HB3 ASP 71 2HB ASP 71 8.629 1.365 -4.576 547 H GLU 72 H GLU 72 5.065 2.233 -3.354 548 HA GLU 72 HA GLU 72 2.764 1.433 -5.193 549 HB2 GLU 72 1HB GLU 72 1.136 2.237 -3.639 550 HB3 GLU 72 2HB GLU 72 2.023 0.869 -2.999 551 HG2 GLU 72 1HG GLU 72 3.204 2.255 -1.355 552 HG3 GLU 72 2HG GLU 72 2.744 3.743 -2.155 553 H LYS 73 H LYS 73 2.189 2.920 -6.579 554 HA LYS 73 HA LYS 73 3.318 5.723 -6.405 555 HB2 LYS 73 1HB LYS 73 3.381 4.424 -8.558 556 HB3 LYS 73 2HB LYS 73 1.636 4.420 -8.644 557 HG2 LYS 73 1HG LYS 73 2.730 7.221 -8.288 558 HG3 LYS 73 2HG LYS 73 3.530 6.385 -9.587 559 HD2 LYS 73 1HD LYS 73 1.761 7.587 -10.566 560 HD3 LYS 73 2HD LYS 73 1.338 5.885 -10.707 561 HE2 LYS 73 1HE LYS 73 -0.265 6.090 -8.755 562 HE3 LYS 73 2HE LYS 73 0.223 7.762 -8.486 563 HZ1 LYS 73 3HZ LYS 73 -1.835 7.631 -9.893 564 HZ2 LYS 73 1HZ LYS 73 -0.625 8.300 -10.782 565 HZ3 LYS 73 2HZ LYS 73 -1.056 6.738 -11.032 566 H THR 74 H THR 74 2.319 7.104 -5.266 567 HA THR 74 HA THR 74 -0.458 6.710 -4.351 568 HB THR 74 HB THR 74 0.150 8.476 -2.687 569 HG1 THR 74 HG1 THR 74 2.725 8.510 -3.802 570 HG21 THR 74 3HG2 THR 74 2.087 7.321 -1.597 571 HG22 THR 74 1HG2 THR 74 0.954 6.097 -2.238 572 HG23 THR 74 2HG2 THR 74 2.453 6.443 -3.100 573 H SER 75 H SER 75 -2.139 8.265 -4.276 574 HA SER 75 HA SER 75 -2.522 9.916 -6.615 575 HB2 SER 75 1HB SER 75 -4.348 8.824 -5.388 576 HB3 SER 75 2HB SER 75 -4.174 9.953 -4.048 577 HG SER 75 HG SER 75 -4.315 11.594 -5.940 578 H ASP 76 H ASP 76 -0.885 10.957 -3.730 579 HA ASP 76 HA ASP 76 -0.788 13.847 -4.307 580 HB2 ASP 76 1HB ASP 76 1.078 11.792 -2.977 581 HB3 ASP 76 2HB ASP 76 1.613 13.440 -3.269 582 H GLY 77 H GLY 77 0.594 11.074 -5.965 583 HA2 GLY 77 1HA GLY 77 2.008 11.060 -7.978 584 HA3 GLY 77 2HA GLY 77 2.360 12.764 -7.767 585 H ARG 78 H ARG 78 2.828 9.722 -5.897 586 HA ARG 78 HA ARG 78 5.785 10.311 -5.600 587 HB2 ARG 78 1HB ARG 78 4.388 9.539 -3.012 588 HB3 ARG 78 2HB ARG 78 5.905 10.345 -3.256 589 HG2 ARG 78 1HG ARG 78 3.153 11.638 -3.733 590 HG3 ARG 78 2HG ARG 78 3.831 11.507 -2.150 591 HD2 ARG 78 1HD ARG 78 5.580 12.865 -4.264 592 HD3 ARG 78 2HD ARG 78 4.110 13.690 -3.860 593 HE ARG 78 HE ARG 78 6.500 13.432 -2.097 594 HH11 ARG 78 1HH1 ARG 78 3.019 13.999 -1.957 595 HH12 ARG 78 2HH1 ARG 78 3.225 14.873 -0.365 596 HH21 ARG 78 1HH2 ARG 78 6.588 14.425 -0.251 597 HH22 ARG 78 2HH2 ARG 78 5.042 15.057 0.501 598 H ASN 79 H ASN 79 6.585 8.409 -6.365 599 HA ASN 79 HA ASN 79 5.353 5.761 -5.753 600 HB2 ASN 79 1HB ASN 79 7.227 4.725 -6.945 601 HB3 ASN 79 2HB ASN 79 6.237 5.824 -7.855 602 HD21 ASN 79 1HD2 ASN 79 9.197 6.216 -5.937 603 HD22 ASN 79 2HD2 ASN 79 10.069 7.025 -7.338 604 H VAL 80 H VAL 80 5.401 5.052 -3.688 605 HA VAL 80 HA VAL 80 7.886 5.767 -2.020 606 HB VAL 80 HB VAL 80 6.751 5.769 -0.036 607 HG11 VAL 80 1HG1 VAL 80 5.188 7.618 -1.973 608 HG12 VAL 80 2HG1 VAL 80 5.556 7.932 -0.258 609 HG13 VAL 80 3HG1 VAL 80 6.862 7.896 -1.467 610 HG21 VAL 80 3HG2 VAL 80 4.008 5.433 -1.434 611 HG22 VAL 80 1HG2 VAL 80 4.757 4.242 -0.348 612 HG23 VAL 80 2HG2 VAL 80 4.282 5.824 0.283 613 H LYS 81 H LYS 81 8.772 4.201 -0.808 614 HA LYS 81 HA LYS 81 8.425 1.389 -1.920 615 HB2 LYS 81 1HB LYS 81 10.873 2.989 -0.997 616 HB3 LYS 81 2HB LYS 81 10.870 1.284 -0.670 617 HG2 LYS 81 1HG LYS 81 12.009 1.457 -2.641 618 HG3 LYS 81 2HG LYS 81 10.465 0.746 -3.078 619 HD2 LYS 81 1HD LYS 81 9.712 3.115 -3.863 620 HD3 LYS 81 2HD LYS 81 11.325 3.704 -3.496 621 HE2 LYS 81 1HE LYS 81 12.399 2.289 -5.166 622 HE3 LYS 81 2HE LYS 81 10.995 1.233 -5.336 623 HZ1 LYS 81 3HZ LYS 81 9.776 2.783 -6.606 624 HZ2 LYS 81 1HZ LYS 81 10.630 4.113 -6.073 625 HZ3 LYS 81 2HZ LYS 81 11.296 3.062 -7.163 626 H SER 82 H SER 82 8.868 -0.340 -0.308 627 HA SER 82 HA SER 82 8.295 0.325 2.593 628 HB2 SER 82 1HB SER 82 6.385 -1.298 0.830 629 HB3 SER 82 2HB SER 82 6.353 -1.352 2.599 630 HG SER 82 HG SER 82 6.404 1.148 1.299 631 H VAL 83 H VAL 83 10.099 -0.544 3.380 632 HA VAL 83 HA VAL 83 11.232 -3.126 2.372 633 HB VAL 83 HB VAL 83 12.627 -1.206 2.892 634 HG11 VAL 83 1HG1 VAL 83 12.211 -1.731 5.878 635 HG12 VAL 83 2HG1 VAL 83 13.465 -0.708 5.134 636 HG13 VAL 83 3HG1 VAL 83 11.763 -0.278 4.929 637 HG21 VAL 83 3HG2 VAL 83 13.600 -3.481 2.678 638 HG22 VAL 83 1HG2 VAL 83 14.492 -2.517 3.874 639 HG23 VAL 83 2HG2 VAL 83 13.359 -3.778 4.415 640 H VAL 84 H VAL 84 10.554 -4.993 2.925 641 HA VAL 84 HA VAL 84 8.765 -5.319 5.334 642 HB VAL 84 HB VAL 84 9.189 -7.246 2.968 643 HG11 VAL 84 1HG1 VAL 84 7.912 -8.121 5.081 644 HG12 VAL 84 2HG1 VAL 84 6.712 -6.841 4.796 645 HG13 VAL 84 3HG1 VAL 84 6.947 -8.132 3.592 646 HG21 VAL 84 3HG2 VAL 84 7.047 -6.308 1.979 647 HG22 VAL 84 1HG2 VAL 84 7.178 -4.917 3.091 648 HG23 VAL 84 2HG2 VAL 84 8.426 -5.225 1.869 649 H GLU 85 H GLU 85 9.333 -6.488 7.000 650 HA GLU 85 HA GLU 85 10.323 -9.126 6.383 651 HB2 GLU 85 1HB GLU 85 12.543 -8.151 6.738 652 HB3 GLU 85 2HB GLU 85 12.150 -7.690 8.379 653 HG2 GLU 85 1HG GLU 85 13.525 -9.771 8.270 654 HG3 GLU 85 2HG GLU 85 12.007 -10.087 9.080 655 H LYS 86 H LYS 86 9.780 -10.592 7.736 656 HA LYS 86 HA LYS 86 7.520 -10.131 9.693 657 HB2 LYS 86 1HB LYS 86 6.811 -11.520 8.014 658 HB3 LYS 86 2HB LYS 86 8.330 -12.267 7.677 659 HG2 LYS 86 1HG LYS 86 6.647 -13.001 10.140 660 HG3 LYS 86 2HG LYS 86 6.478 -13.711 8.563 661 HD2 LYS 86 1HD LYS 86 8.834 -14.007 10.486 662 HD3 LYS 86 2HD LYS 86 7.710 -15.185 9.887 663 HE2 LYS 86 1HE LYS 86 9.511 -15.794 8.627 664 HE3 LYS 86 2HE LYS 86 8.776 -14.709 7.455 665 HZ1 LYS 86 3HZ LYS 86 10.594 -13.098 7.802 666 HZ2 LYS 86 1HZ LYS 86 10.588 -13.359 9.366 667 HZ3 LYS 86 2HZ LYS 86 11.394 -14.421 8.379 668 H ASN 87 H ASN 87 8.041 -10.191 11.829 669 HA ASN 87 HA ASN 87 10.769 -11.262 12.680 670 HB2 ASN 87 1HB ASN 87 9.826 -9.143 13.623 671 HB3 ASN 87 2HB ASN 87 8.530 -10.018 14.392 672 HD21 ASN 87 1HD2 ASN 87 9.200 -11.571 16.133 673 HD22 ASN 87 2HD2 ASN 87 10.780 -11.182 16.985 674 H SER 88 H SER 88 7.492 -11.890 13.803 675 HA SER 88 HA SER 88 7.498 -14.322 12.323 676 HB2 SER 88 1HB SER 88 8.440 -15.414 14.305 677 HB3 SER 88 2HB SER 88 7.112 -14.861 15.330 678 HG SER 88 HG SER 88 6.364 -16.322 12.955 679 H GLU 89 H GLU 89 5.001 -15.050 13.985 680 HA GLU 89 HA GLU 89 3.408 -13.768 11.832 681 HB2 GLU 89 1HB GLU 89 3.366 -16.312 13.544 682 HB3 GLU 89 2HB GLU 89 1.900 -15.859 12.773 683 HG2 GLU 89 1HG GLU 89 3.253 -17.451 11.418 684 HG3 GLU 89 2HG GLU 89 2.790 -16.011 10.544 685 H SER 90 H SER 90 3.729 -12.567 14.543 686 HA SER 90 HA SER 90 1.441 -10.886 13.928 687 HB2 SER 90 1HB SER 90 0.385 -10.575 16.093 688 HB3 SER 90 2HB SER 90 0.428 -12.314 15.814 689 HG SER 90 HG SER 90 2.251 -10.769 17.377 690 H LYS 91 H LYS 91 4.244 -10.544 13.478 691 HA LYS 91 HA LYS 91 4.309 -7.750 14.371 692 HB2 LYS 91 1HB LYS 91 5.299 -9.042 16.409 693 HB3 LYS 91 2HB LYS 91 6.598 -9.574 15.389 694 HG2 LYS 91 1HG LYS 91 7.409 -7.745 16.667 695 HG3 LYS 91 2HG LYS 91 7.270 -7.095 15.036 696 HD2 LYS 91 1HD LYS 91 5.136 -5.937 15.602 697 HD3 LYS 91 2HD LYS 91 5.009 -6.809 17.129 698 HE2 LYS 91 1HE LYS 91 7.129 -5.669 17.968 699 HE3 LYS 91 2HE LYS 91 7.220 -4.725 16.471 700 HZ1 LYS 91 3HZ LYS 91 5.862 -3.626 18.420 701 HZ2 LYS 91 1HZ LYS 91 4.977 -3.757 17.022 702 HZ3 LYS 91 2HZ LYS 91 4.727 -4.839 18.241 703 H LEU 92 H LEU 92 4.479 -7.271 12.226 704 HA LEU 92 HA LEU 92 6.967 -8.146 10.652 705 HB2 LEU 92 1HB LEU 92 4.757 -9.204 10.255 706 HB3 LEU 92 2HB LEU 92 4.024 -7.670 9.815 707 HG LEU 92 HG LEU 92 6.443 -8.806 8.323 708 HD11 LEU 92 1HD1 LEU 92 4.870 -9.927 6.739 709 HD12 LEU 92 2HD1 LEU 92 4.616 -10.571 8.367 710 HD13 LEU 92 3HD1 LEU 92 3.466 -9.398 7.696 711 HD21 LEU 92 3HD2 LEU 92 5.351 -7.554 6.360 712 HD22 LEU 92 1HD2 LEU 92 4.233 -6.809 7.515 713 HD23 LEU 92 2HD2 LEU 92 5.987 -6.519 7.645 714 H THR 93 H THR 93 8.248 -6.504 9.882 715 HA THR 93 HA THR 93 7.368 -3.676 10.699 716 HB THR 93 HB THR 93 9.160 -4.706 11.967 717 HG1 THR 93 HG1 THR 93 10.197 -2.530 10.529 718 HG21 THR 93 3HG2 THR 93 11.407 -5.006 11.193 719 HG22 THR 93 1HG2 THR 93 10.415 -5.805 9.939 720 HG23 THR 93 2HG2 THR 93 11.114 -4.210 9.632 721 H GLN 94 H GLN 94 6.257 -3.897 8.658 722 HA GLN 94 HA GLN 94 7.651 -3.674 6.090 723 HB2 GLN 94 1HB GLN 94 5.540 -4.787 6.407 724 HB3 GLN 94 2HB GLN 94 4.719 -3.343 6.913 725 HG2 GLN 94 1HG GLN 94 5.883 -3.030 4.156 726 HG3 GLN 94 2HG GLN 94 4.985 -4.513 4.299 727 HE21 GLN 94 1HE2 GLN 94 4.685 -1.031 4.591 728 HE22 GLN 94 2HE2 GLN 94 2.871 -1.050 4.280 729 H THR 95 H THR 95 9.052 -1.915 6.406 730 HA THR 95 HA THR 95 7.986 0.634 7.523 731 HB THR 95 HB THR 95 10.885 -0.058 6.830 732 HG1 THR 95 HG1 THR 95 9.953 -1.510 8.221 733 HG21 THR 95 3HG2 THR 95 9.585 2.167 8.531 734 HG22 THR 95 1HG2 THR 95 11.255 1.625 8.755 735 HG23 THR 95 2HG2 THR 95 10.751 2.343 7.219 736 H GLN 96 H GLN 96 7.437 2.364 6.399 737 HA GLN 96 HA GLN 96 7.444 2.190 3.421 738 HB2 GLN 96 1HB GLN 96 6.126 4.229 5.291 739 HB3 GLN 96 2HB GLN 96 6.083 4.366 3.551 740 HG2 GLN 96 1HG GLN 96 4.834 2.242 3.323 741 HG3 GLN 96 2HG GLN 96 5.086 1.828 5.005 742 HE21 GLN 96 1HE2 GLN 96 3.817 4.688 3.263 743 HE22 GLN 96 2HE2 GLN 96 2.334 4.799 4.340 744 H VAL 97 H VAL 97 8.900 3.119 2.082 745 HA VAL 97 HA VAL 97 10.989 5.038 3.261 746 HB VAL 97 HB VAL 97 11.242 2.808 1.165 747 HG11 VAL 97 1HG1 VAL 97 12.553 4.746 0.279 748 HG12 VAL 97 2HG1 VAL 97 13.195 5.058 1.905 749 HG13 VAL 97 3HG1 VAL 97 13.679 3.585 0.998 750 HG21 VAL 97 3HG2 VAL 97 11.492 2.074 3.555 751 HG22 VAL 97 1HG2 VAL 97 13.042 2.010 2.704 752 HG23 VAL 97 2HG2 VAL 97 12.701 3.345 3.844 753 H ASP 98 H ASP 98 9.464 6.666 2.929 754 HA ASP 98 HA ASP 98 8.498 7.431 0.286 755 HB2 ASP 98 1HB ASP 98 8.492 8.805 3.056 756 HB3 ASP 98 2HB ASP 98 7.430 9.244 1.755 757 HA PRO 99 HA PRO 99 11.626 10.847 -0.441 758 HB2 PRO 99 1HB PRO 99 10.089 13.092 -1.146 759 HB3 PRO 99 2HB PRO 99 10.432 11.711 -2.206 760 HG2 PRO 99 1HG PRO 99 7.929 12.103 -0.446 761 HG3 PRO 99 2HG PRO 99 7.980 11.729 -2.198 762 HD2 PRO 99 1HD PRO 99 7.622 9.737 -0.359 763 HD3 PRO 99 2HD PRO 99 8.677 9.437 -1.774 764 H LYS 100 H LYS 100 9.542 10.937 2.111 765 HA LYS 100 HA LYS 100 11.389 12.865 3.618 766 HB2 LYS 100 1HB LYS 100 8.527 12.992 3.642 767 HB3 LYS 100 2HB LYS 100 8.861 12.062 5.060 768 HG2 LYS 100 1HG LYS 100 10.068 14.837 4.428 769 HG3 LYS 100 2HG LYS 100 8.615 14.538 5.367 770 HD2 LYS 100 1HD LYS 100 10.048 13.092 6.988 771 HD3 LYS 100 2HD LYS 100 11.473 13.662 6.115 772 HE2 LYS 100 1HE LYS 100 10.773 16.093 6.627 773 HE3 LYS 100 2HE LYS 100 9.397 15.474 7.555 774 HZ1 LYS 100 3HZ LYS 100 12.297 14.815 8.134 775 HZ2 LYS 100 1HZ LYS 100 11.386 15.836 9.047 776 HZ3 LYS 100 2HZ LYS 100 11.039 14.224 8.992 777 H ASN 101 H ASN 101 10.726 9.557 3.177 778 HA ASN 101 HA ASN 101 10.889 7.603 4.362 779 HB2 ASN 101 1HB ASN 101 12.981 9.080 6.056 780 HB3 ASN 101 2HB ASN 101 12.644 7.369 6.138 781 HD21 ASN 101 1HD2 ASN 101 13.988 9.840 4.073 782 HD22 ASN 101 2HD2 ASN 101 14.743 8.618 2.922 783 H THR 102 H THR 102 9.328 6.664 5.431 784 HA THR 102 HA THR 102 8.118 7.885 7.916 785 HB THR 102 HB THR 102 7.472 5.283 6.452 786 HG1 THR 102 HG1 THR 102 6.792 6.880 5.050 787 HG21 THR 102 3HG2 THR 102 5.342 5.225 7.564 788 HG22 THR 102 1HG2 THR 102 6.541 5.358 8.868 789 HG23 THR 102 2HG2 THR 102 5.592 6.776 8.356 790 H THR 103 H THR 103 8.420 6.949 9.980 791 HA THR 103 HA THR 103 10.860 5.247 10.320 792 HB THR 103 HB THR 103 9.098 6.784 12.266 793 HG1 THR 103 HG1 THR 103 11.691 7.233 11.214 794 HG21 THR 103 3HG2 THR 103 11.874 5.544 12.843 795 HG22 THR 103 1HG2 THR 103 10.880 6.547 13.931 796 HG23 THR 103 2HG2 THR 103 10.335 4.921 13.469 797 H VAL 104 H VAL 104 10.852 3.266 11.421 798 HA VAL 104 HA VAL 104 9.451 1.282 10.481 799 HB VAL 104 HB VAL 104 9.888 -0.246 12.286 800 HG11 VAL 104 1HG1 VAL 104 11.632 0.225 10.603 801 HG12 VAL 104 2HG1 VAL 104 12.298 1.544 11.594 802 HG13 VAL 104 3HG1 VAL 104 12.349 -0.132 12.177 803 HG21 VAL 104 3HG2 VAL 104 9.625 1.181 14.362 804 HG22 VAL 104 1HG2 VAL 104 11.217 0.416 14.300 805 HG23 VAL 104 2HG2 VAL 104 11.043 2.140 13.898 806 H ILE 105 H ILE 105 7.456 1.020 10.048 807 HA ILE 105 HA ILE 105 5.320 1.759 11.881 808 HB ILE 105 HB ILE 105 3.763 1.422 10.083 809 HG12 ILE 105 1HG1 ILE 105 4.746 0.906 7.705 810 HG13 ILE 105 2HG1 ILE 105 6.042 0.069 8.541 811 HG21 ILE 105 1HG2 ILE 105 4.574 3.136 8.576 812 HG22 ILE 105 2HG2 ILE 105 5.317 3.481 10.165 813 HG23 ILE 105 3HG2 ILE 105 6.280 2.746 8.890 814 HD11 ILE 105 3HD1 ILE 105 3.047 -0.622 8.852 815 HD12 ILE 105 1HD1 ILE 105 4.152 -1.389 7.716 816 HD13 ILE 105 2HD1 ILE 105 4.414 -1.586 9.460 817 H VAL 106 H VAL 106 6.686 -0.899 11.958 818 HA VAL 106 HA VAL 106 6.092 -3.294 12.491 819 HB VAL 106 HB VAL 106 5.862 -3.240 14.951 820 HG11 VAL 106 1HG1 VAL 106 8.111 -2.280 15.364 821 HG12 VAL 106 2HG1 VAL 106 8.108 -3.184 13.837 822 HG13 VAL 106 3HG1 VAL 106 8.075 -1.409 13.820 823 HG21 VAL 106 3HG2 VAL 106 6.013 -0.158 14.757 824 HG22 VAL 106 1HG2 VAL 106 4.530 -1.054 15.104 825 HG23 VAL 106 2HG2 VAL 106 5.915 -1.153 16.232 826 H ARG 107 H ARG 107 4.510 -4.163 11.436 827 HA ARG 107 HA ARG 107 1.624 -3.713 12.075 828 HB2 ARG 107 1HB ARG 107 2.932 -5.810 10.216 829 HB3 ARG 107 2HB ARG 107 1.223 -5.504 10.342 830 HG2 ARG 107 1HG ARG 107 1.804 -3.011 9.584 831 HG3 ARG 107 2HG ARG 107 3.389 -3.645 9.241 832 HD2 ARG 107 1HD ARG 107 2.235 -3.604 7.197 833 HD3 ARG 107 2HD ARG 107 2.342 -5.324 7.609 834 HE ARG 107 HE ARG 107 -0.170 -4.575 8.689 835 HH11 ARG 107 1HH1 ARG 107 1.181 -4.173 5.450 836 HH12 ARG 107 2HH1 ARG 107 -0.467 -4.410 4.717 837 HH21 ARG 107 1HH2 ARG 107 -1.997 -4.782 7.760 838 HH22 ARG 107 2HH2 ARG 107 -2.163 -4.697 5.951 839 H GLU 108 H GLU 108 1.047 -4.425 14.035 840 HA GLU 108 HA GLU 108 1.799 -7.265 14.946 841 HB2 GLU 108 1HB GLU 108 2.739 -5.238 16.132 842 HB3 GLU 108 2HB GLU 108 1.112 -4.683 16.513 843 HG2 GLU 108 1HG GLU 108 0.725 -6.716 17.956 844 HG3 GLU 108 2HG GLU 108 2.305 -7.359 17.523 845 H VAL 109 H VAL 109 -0.032 -8.636 14.660 846 HA VAL 109 HA VAL 109 -2.772 -7.407 14.670 847 HB VAL 109 HB VAL 109 -2.314 -9.012 12.969 848 HG11 VAL 109 1HG1 VAL 109 -2.304 -11.479 13.327 849 HG12 VAL 109 2HG1 VAL 109 -0.909 -10.694 14.081 850 HG13 VAL 109 3HG1 VAL 109 -2.260 -11.252 15.088 851 HG21 VAL 109 3HG2 VAL 109 -4.626 -9.930 14.760 852 HG22 VAL 109 1HG2 VAL 109 -4.661 -8.596 13.585 853 HG23 VAL 109 2HG2 VAL 109 -4.440 -10.260 13.026 854 H ASP 110 H ASP 110 -3.996 -7.176 16.405 855 HA ASP 110 HA ASP 110 -3.322 -8.645 18.951 856 HB2 ASP 110 1HB ASP 110 -4.821 -6.081 18.175 857 HB3 ASP 110 2HB ASP 110 -5.061 -6.730 19.760 858 H GLY 111 H GLY 111 -4.515 -10.325 17.158 859 HA2 GLY 111 1HA GLY 111 -6.169 -12.163 17.382 860 HA3 GLY 111 2HA GLY 111 -6.980 -11.272 18.652 861 H ASP 112 H ASP 112 -6.552 -11.534 15.203 862 HA ASP 112 HA ASP 112 -7.451 -10.365 13.364 863 HB2 ASP 112 1HB ASP 112 -9.942 -11.324 14.853 864 HB3 ASP 112 2HB ASP 112 -10.021 -10.632 13.249 865 H THR 113 H THR 113 -6.557 -8.463 15.010 866 HA THR 113 HA THR 113 -8.017 -6.162 13.883 867 HB THR 113 HB THR 113 -9.098 -6.414 16.037 868 HG1 THR 113 HG1 THR 113 -7.693 -3.953 15.879 869 HG21 THR 113 3HG2 THR 113 -8.223 -5.564 18.097 870 HG22 THR 113 1HG2 THR 113 -7.218 -6.939 17.613 871 HG23 THR 113 2HG2 THR 113 -6.610 -5.283 17.425 872 H MET 114 H MET 114 -6.407 -6.103 12.595 873 HA MET 114 HA MET 114 -3.575 -6.301 13.034 874 HB2 MET 114 1HB MET 114 -4.653 -6.677 10.894 875 HB3 MET 114 2HB MET 114 -5.232 -5.026 10.810 876 HG2 MET 114 1HG MET 114 -3.556 -4.985 9.289 877 HG3 MET 114 2HG MET 114 -2.634 -4.365 10.659 878 HE1 MET 114 3HE MET 114 -0.126 -7.151 11.437 879 HE2 MET 114 1HE MET 114 -0.703 -5.476 11.717 880 HE3 MET 114 2HE MET 114 -1.558 -6.856 12.432 881 H LYS 115 H LYS 115 -2.635 -5.043 14.545 882 HA LYS 115 HA LYS 115 -3.176 -2.047 14.629 883 HB2 LYS 115 1HB LYS 115 -3.515 -3.589 16.612 884 HB3 LYS 115 2HB LYS 115 -1.793 -3.882 16.651 885 HG2 LYS 115 1HG LYS 115 -1.571 -1.202 16.839 886 HG3 LYS 115 2HG LYS 115 -3.302 -1.255 17.162 887 HD2 LYS 115 1HD LYS 115 -2.303 -1.326 19.319 888 HD3 LYS 115 2HD LYS 115 -2.870 -2.957 19.021 889 HE2 LYS 115 1HE LYS 115 -0.108 -2.851 18.007 890 HE3 LYS 115 2HE LYS 115 -0.087 -1.933 19.504 891 HZ1 LYS 115 3HZ LYS 115 0.299 -4.474 19.741 892 HZ2 LYS 115 1HZ LYS 115 -1.049 -3.980 20.654 893 HZ3 LYS 115 2HZ LYS 115 -1.283 -4.728 19.235 894 H THR 116 H THR 116 -1.883 -1.060 13.214 895 HA THR 116 HA THR 116 1.117 -1.710 13.131 896 HB THR 116 HB THR 116 0.246 -2.407 11.110 897 HG1 THR 116 HG1 THR 116 2.228 -0.741 11.458 898 HG21 THR 116 3HG2 THR 116 -0.603 0.417 10.312 899 HG22 THR 116 1HG2 THR 116 -0.613 -1.053 9.322 900 HG23 THR 116 2HG2 THR 116 -1.732 -0.912 10.701 901 H THR 117 H THR 117 1.800 -0.358 14.548 902 HA THR 117 HA THR 117 0.938 2.364 15.033 903 HB THR 117 HB THR 117 3.627 0.989 15.714 904 HG1 THR 117 HG1 THR 117 2.477 0.481 17.707 905 HG21 THR 117 3HG2 THR 117 2.011 3.069 17.340 906 HG22 THR 117 1HG2 THR 117 3.545 2.317 17.844 907 HG23 THR 117 2HG2 THR 117 3.516 3.408 16.453 908 H VAL 118 H VAL 118 1.090 3.798 13.224 909 HA VAL 118 HA VAL 118 3.699 3.854 11.739 910 HB VAL 118 HB VAL 118 1.782 3.789 10.430 911 HG11 VAL 118 1HG1 VAL 118 0.054 5.113 11.608 912 HG12 VAL 118 2HG1 VAL 118 1.003 6.589 11.445 913 HG13 VAL 118 3HG1 VAL 118 0.334 5.855 10.004 914 HG21 VAL 118 3HG2 VAL 118 3.065 6.569 9.953 915 HG22 VAL 118 1HG2 VAL 118 3.958 5.092 9.696 916 HG23 VAL 118 2HG2 VAL 118 2.496 5.411 8.734 917 H THR 119 H THR 119 5.270 4.792 12.887 918 HA THR 119 HA THR 119 4.808 7.668 13.868 919 HB THR 119 HB THR 119 5.499 6.147 15.642 920 HG1 THR 119 HG1 THR 119 7.547 7.234 16.123 921 HG21 THR 119 3HG2 THR 119 6.788 4.389 14.431 922 HG22 THR 119 1HG2 THR 119 8.073 5.543 14.063 923 HG23 THR 119 2HG2 THR 119 7.732 5.078 15.758 924 H VAL 120 H VAL 120 6.368 9.219 13.417 925 HA VAL 120 HA VAL 120 8.406 8.658 11.184 926 HB VAL 120 HB VAL 120 6.494 11.063 10.971 927 HG11 VAL 120 1HG1 VAL 120 8.662 11.369 9.775 928 HG12 VAL 120 2HG1 VAL 120 8.526 9.780 9.012 929 HG13 VAL 120 3HG1 VAL 120 7.394 11.064 8.570 930 HG21 VAL 120 3HG2 VAL 120 6.276 8.303 9.685 931 HG22 VAL 120 1HG2 VAL 120 5.108 9.111 10.734 932 HG23 VAL 120 2HG2 VAL 120 5.356 9.750 9.091 933 H GLY 121 H GLY 121 9.998 8.871 12.645 934 HA2 GLY 121 1HA GLY 121 11.489 9.863 14.250 935 HA3 GLY 121 2HA GLY 121 10.878 11.446 13.818 936 H ASP 122 H ASP 122 8.380 11.324 14.514 937 HA ASP 122 HA ASP 122 7.937 10.792 17.394 938 HB2 ASP 122 1HB ASP 122 8.113 13.043 18.318 939 HB3 ASP 122 2HB ASP 122 9.658 12.466 17.742 940 H VAL 123 H VAL 123 6.118 9.929 16.060 941 HA VAL 123 HA VAL 123 3.843 11.896 16.374 942 HB VAL 123 HB VAL 123 4.206 10.276 13.751 943 HG11 VAL 123 1HG1 VAL 123 1.886 11.500 13.232 944 HG12 VAL 123 2HG1 VAL 123 1.827 10.062 14.258 945 HG13 VAL 123 3HG1 VAL 123 1.732 11.672 14.976 946 HG21 VAL 123 3HG2 VAL 123 4.030 13.312 14.326 947 HG22 VAL 123 1HG2 VAL 123 5.360 12.407 13.553 948 HG23 VAL 123 2HG2 VAL 123 3.794 12.620 12.713 949 H THR 124 H THR 124 4.445 8.543 15.447 950 HA THR 124 HA THR 124 3.408 6.541 15.943 951 HB THR 124 HB THR 124 3.244 7.888 18.672 952 HG1 THR 124 HG1 THR 124 5.146 6.649 18.964 953 HG21 THR 124 3HG2 THR 124 3.237 5.719 19.769 954 HG22 THR 124 1HG2 THR 124 1.857 5.680 18.668 955 HG23 THR 124 2HG2 THR 124 3.367 4.851 18.238 956 H ALA 125 H ALA 125 1.705 6.678 14.469 957 HA ALA 125 HA ALA 125 -1.022 7.342 15.704 958 HB1 ALA 125 3HB ALA 125 -0.431 8.517 13.521 959 HB2 ALA 125 1HB ALA 125 -0.652 6.966 12.679 960 HB3 ALA 125 2HB ALA 125 -1.965 7.628 13.593 961 H ILE 126 H ILE 126 -1.557 5.553 16.760 962 HA ILE 126 HA ILE 126 -1.020 2.881 15.968 963 HB ILE 126 HB ILE 126 -1.331 3.784 18.246 964 HG12 ILE 126 1HG1 ILE 126 -2.452 1.675 19.212 965 HG13 ILE 126 2HG1 ILE 126 -2.729 1.136 17.563 966 HG21 ILE 126 1HG2 ILE 126 -4.379 3.427 17.919 967 HG22 ILE 126 2HG2 ILE 126 -3.485 3.738 19.417 968 HG23 ILE 126 3HG2 ILE 126 -3.489 4.951 18.145 969 HD11 ILE 126 3HD1 ILE 126 0.057 1.958 18.692 970 HD12 ILE 126 1HD1 ILE 126 -0.538 0.292 18.645 971 HD13 ILE 126 2HD1 ILE 126 -0.255 1.165 17.129 972 H ARG 127 H ARG 127 -1.606 2.407 13.914 973 HA ARG 127 HA ARG 127 -4.399 2.853 12.976 974 HB2 ARG 127 1HB ARG 127 -2.171 1.369 11.533 975 HB3 ARG 127 2HB ARG 127 -3.759 1.705 10.875 976 HG2 ARG 127 1HG ARG 127 -3.428 3.976 10.573 977 HG3 ARG 127 2HG ARG 127 -2.199 4.105 11.825 978 HD2 ARG 127 1HD ARG 127 -1.183 4.397 9.684 979 HD3 ARG 127 2HD ARG 127 -0.512 2.984 10.518 980 HE ARG 127 HE ARG 127 -2.607 2.156 8.586 981 HH11 ARG 127 1HH1 ARG 127 0.669 3.350 8.619 982 HH12 ARG 127 2HH1 ARG 127 1.070 2.558 7.023 983 HH21 ARG 127 1HH2 ARG 127 -2.135 1.243 6.848 984 HH22 ARG 127 2HH2 ARG 127 -0.477 1.394 6.074 985 H ASN 128 H ASN 128 -5.863 1.571 13.780 986 HA ASN 128 HA ASN 128 -5.386 -1.425 14.155 987 HB2 ASN 128 1HB ASN 128 -6.167 0.465 15.968 988 HB3 ASN 128 2HB ASN 128 -7.742 0.172 15.269 989 HD21 ASN 128 1HD2 ASN 128 -7.273 -0.183 17.874 990 HD22 ASN 128 2HD2 ASN 128 -7.301 -1.993 18.243 991 H TYR 129 H TYR 129 -6.267 -2.703 12.564 992 HA TYR 129 HA TYR 129 -8.783 -1.755 11.072 993 HB2 TYR 129 1HB TYR 129 -6.508 -3.562 9.970 994 HB3 TYR 129 2HB TYR 129 -7.916 -3.041 9.103 995 HD1 TYR 129 HD1 TYR 129 -4.681 -1.760 10.611 996 HD2 TYR 129 HD2 TYR 129 -7.751 -1.153 7.654 997 HE1 TYR 129 HE1 TYR 129 -3.314 -0.051 9.492 998 HE2 TYR 129 HE2 TYR 129 -6.435 0.606 6.640 999 HH TYR 129 HH TYR 129 -4.598 1.794 6.740 1000 H LYS 130 H LYS 130 -10.356 -3.300 10.620 1001 HA LYS 130 HA LYS 130 -10.167 -5.843 12.342 1002 HB2 LYS 130 1HB LYS 130 -12.652 -4.379 11.252 1003 HB3 LYS 130 2HB LYS 130 -12.730 -5.991 11.919 1004 HG2 LYS 130 1HG LYS 130 -11.952 -3.430 13.398 1005 HG3 LYS 130 2HG LYS 130 -13.423 -4.341 13.570 1006 HD2 LYS 130 1HD LYS 130 -10.584 -5.140 14.436 1007 HD3 LYS 130 2HD LYS 130 -11.856 -4.615 15.486 1008 HE2 LYS 130 1HE LYS 130 -11.897 -7.270 13.864 1009 HE3 LYS 130 2HE LYS 130 -11.313 -7.113 15.506 1010 HZ1 LYS 130 3HZ LYS 130 -13.695 -7.813 15.500 1011 HZ2 LYS 130 1HZ LYS 130 -13.572 -6.333 16.207 1012 HZ3 LYS 130 2HZ LYS 130 -14.144 -6.457 14.677 1013 H ARG 131 H ARG 131 -10.491 -7.816 11.587 1014 HA ARG 131 HA ARG 131 -9.826 -8.339 8.788 1015 HB2 ARG 131 1HB ARG 131 -9.225 -9.673 10.991 1016 HB3 ARG 131 2HB ARG 131 -10.769 -10.468 10.812 1017 HG2 ARG 131 1HG ARG 131 -10.073 -11.279 8.487 1018 HG3 ARG 131 2HG ARG 131 -8.554 -10.383 8.633 1019 HD2 ARG 131 1HD ARG 131 -8.066 -11.662 10.798 1020 HD3 ARG 131 2HD ARG 131 -9.472 -12.693 10.488 1021 HE ARG 131 HE ARG 131 -7.884 -12.906 8.104 1022 HH11 ARG 131 1HH1 ARG 131 -7.286 -13.529 11.581 1023 HH12 ARG 131 2HH1 ARG 131 -5.968 -14.710 11.083 1024 HH21 ARG 131 1HH2 ARG 131 -6.396 -14.221 7.734 1025 HH22 ARG 131 2HH2 ARG 131 -5.497 -15.052 9.112 1026 H LEU 132 H LEU 132 -11.107 -8.519 7.156 1027 HA LEU 132 HA LEU 132 -14.076 -9.152 7.511 1028 HB2 LEU 132 1HB LEU 132 -12.573 -7.640 5.336 1029 HB3 LEU 132 2HB LEU 132 -14.318 -7.951 5.319 1030 HG LEU 132 HG LEU 132 -12.654 -6.205 7.208 1031 HD11 LEU 132 1HD1 LEU 132 -13.289 -5.313 4.929 1032 HD12 LEU 132 2HD1 LEU 132 -15.012 -5.594 5.286 1033 HD13 LEU 132 3HD1 LEU 132 -14.092 -4.389 6.225 1034 HD21 LEU 132 3HD2 LEU 132 -14.370 -7.172 8.704 1035 HD22 LEU 132 1HD2 LEU 132 -14.813 -5.504 8.343 1036 HD23 LEU 132 2HD2 LEU 132 -15.674 -6.837 7.536 1037 H SER 133 H SER 133 -14.830 -10.866 6.792 1038 HA SER 133 HA SER 133 -13.205 -12.780 5.011 1039 HB2 SER 133 1HB SER 133 -14.348 -14.618 6.169 1040 HB3 SER 133 2HB SER 133 -13.562 -13.543 7.329 1041 HG SER 133 HG SER 133 -15.687 -14.104 7.969 1042 HXT SER 133 HXT SER 133 -16.246 -12.995 4.741 Start of MODEL 2 1 H1 MET 1 1H MET 1 2.642 -20.761 8.674 2 H2 MET 1 2H MET 1 3.853 -19.787 9.197 3 HA MET 1 HA MET 1 2.726 -17.804 8.509 4 HB2 MET 1 1HB MET 1 3.157 -19.981 6.355 5 HB3 MET 1 2HB MET 1 2.767 -18.322 5.948 6 HG2 MET 1 1HG MET 1 5.129 -18.390 5.810 7 HG3 MET 1 2HG MET 1 4.797 -17.532 7.326 8 HE1 MET 1 3HE MET 1 7.576 -18.312 7.149 9 HE2 MET 1 1HE MET 1 6.921 -17.959 8.785 10 HE3 MET 1 2HE MET 1 7.941 -19.399 8.523 11 H SER 2 H SER 2 1.157 -16.924 7.039 12 HA SER 2 HA SER 2 -1.016 -16.444 6.342 13 HB2 SER 2 1HB SER 2 -0.867 -18.578 5.076 14 HB3 SER 2 2HB SER 2 -1.627 -19.451 6.412 15 HG SER 2 HG SER 2 -3.345 -17.777 6.219 16 H SER 3 H SER 3 -0.578 -17.061 9.460 17 HA SER 3 HA SER 3 -3.291 -17.138 10.480 18 HB2 SER 3 1HB SER 3 -1.232 -17.533 11.852 19 HB3 SER 3 2HB SER 3 -0.846 -15.805 11.800 20 HG SER 3 HG SER 3 -3.226 -15.681 12.560 21 H PHE 4 H PHE 4 -1.919 -14.417 8.886 22 HA PHE 4 HA PHE 4 -4.469 -12.938 9.384 23 HB2 PHE 4 1HB PHE 4 -3.633 -10.855 10.141 24 HB3 PHE 4 2HB PHE 4 -3.175 -12.120 11.246 25 HD1 PHE 4 HD1 PHE 4 -0.646 -13.087 10.983 26 HD2 PHE 4 HD2 PHE 4 -1.981 -9.224 9.617 27 HE1 PHE 4 HE1 PHE 4 1.645 -12.237 11.111 28 HE2 PHE 4 HE2 PHE 4 0.327 -8.374 9.816 29 HZ PHE 4 HZ PHE 4 2.132 -9.884 10.618 30 H LEU 5 H LEU 5 -3.693 -14.198 7.060 31 HA LEU 5 HA LEU 5 -3.129 -11.992 5.081 32 HB2 LEU 5 1HB LEU 5 -3.636 -14.979 4.695 33 HB3 LEU 5 2HB LEU 5 -3.513 -13.836 3.375 34 HG LEU 5 HG LEU 5 -1.296 -14.272 5.463 35 HD11 LEU 5 1HD1 LEU 5 -1.528 -15.338 2.557 36 HD12 LEU 5 2HD1 LEU 5 -0.147 -15.596 3.649 37 HD13 LEU 5 3HD1 LEU 5 -1.720 -16.321 4.009 38 HD21 LEU 5 3HD2 LEU 5 -1.181 -12.739 2.778 39 HD22 LEU 5 1HD2 LEU 5 -1.043 -12.025 4.394 40 HD23 LEU 5 2HD2 LEU 5 0.205 -13.117 3.811 41 H GLY 6 H GLY 6 -4.673 -10.853 4.204 42 HA2 GLY 6 1HA GLY 6 -7.238 -11.224 3.303 43 HA3 GLY 6 2HA GLY 6 -7.535 -11.276 5.054 44 H LYS 7 H LYS 7 -8.922 -9.494 4.172 45 HA LYS 7 HA LYS 7 -7.502 -6.820 4.129 46 HB2 LYS 7 1HB LYS 7 -9.456 -5.728 3.394 47 HB3 LYS 7 2HB LYS 7 -9.143 -7.097 2.394 48 HG2 LYS 7 1HG LYS 7 -11.002 -8.292 4.069 49 HG3 LYS 7 2HG LYS 7 -11.404 -6.616 4.386 50 HD2 LYS 7 1HD LYS 7 -12.860 -7.200 2.607 51 HD3 LYS 7 2HD LYS 7 -11.598 -6.260 1.812 52 HE2 LYS 7 1HE LYS 7 -10.418 -8.563 1.262 53 HE3 LYS 7 2HE LYS 7 -11.840 -9.365 1.923 54 HZ1 LYS 7 3HZ LYS 7 -11.903 -7.401 -0.380 55 HZ2 LYS 7 1HZ LYS 7 -11.990 -9.036 -0.537 56 HZ3 LYS 7 2HZ LYS 7 -13.216 -8.203 0.186 57 H TRP 8 H TRP 8 -7.778 -5.246 5.559 58 HA TRP 8 HA TRP 8 -8.872 -6.102 8.292 59 HB2 TRP 8 1HB TRP 8 -6.413 -4.303 7.928 60 HB3 TRP 8 2HB TRP 8 -6.964 -5.137 9.376 61 HD1 TRP 8 HD1 TRP 8 -7.062 -8.283 8.075 62 HE1 TRP 8 HE1 TRP 8 -4.808 -9.555 7.510 63 HE3 TRP 8 HE3 TRP 8 -3.961 -4.165 7.965 64 HZ2 TRP 8 HZ2 TRP 8 -2.149 -8.759 7.145 65 HZ3 TRP 8 HZ3 TRP 8 -1.568 -4.514 7.444 66 HH2 TRP 8 HH2 TRP 8 -0.670 -6.776 7.074 67 H LYS 9 H LYS 9 -10.483 -4.720 8.948 68 HA LYS 9 HA LYS 9 -10.790 -2.110 7.385 69 HB2 LYS 9 1HB LYS 9 -13.100 -2.157 7.493 70 HB3 LYS 9 2HB LYS 9 -12.549 -3.658 6.781 71 HG2 LYS 9 1HG LYS 9 -13.126 -4.941 8.835 72 HG3 LYS 9 2HG LYS 9 -13.461 -3.459 9.736 73 HD2 LYS 9 1HD LYS 9 -15.303 -2.849 8.104 74 HD3 LYS 9 2HD LYS 9 -15.026 -4.357 7.226 75 HE2 LYS 9 1HE LYS 9 -15.572 -5.673 9.371 76 HE3 LYS 9 2HE LYS 9 -15.844 -4.148 10.221 77 HZ1 LYS 9 3HZ LYS 9 -17.400 -5.024 7.774 78 HZ2 LYS 9 1HZ LYS 9 -17.994 -5.043 9.307 79 HZ3 LYS 9 2HZ LYS 9 -17.646 -3.617 8.571 80 H LEU 10 H LEU 10 -10.900 -0.291 8.506 81 HA LEU 10 HA LEU 10 -9.622 -0.137 10.950 82 HB2 LEU 10 1HB LEU 10 -9.882 1.660 9.170 83 HB3 LEU 10 2HB LEU 10 -11.480 2.013 9.823 84 HG LEU 10 HG LEU 10 -10.310 2.483 12.103 85 HD11 LEU 10 1HD1 LEU 10 -8.057 1.402 11.528 86 HD12 LEU 10 2HD1 LEU 10 -7.765 2.685 10.344 87 HD13 LEU 10 3HD1 LEU 10 -7.907 3.057 12.078 88 HD21 LEU 10 3HD2 LEU 10 -9.912 4.796 11.477 89 HD22 LEU 10 1HD2 LEU 10 -9.613 4.378 9.763 90 HD23 LEU 10 2HD2 LEU 10 -11.230 4.214 10.482 91 H SER 11 H SER 11 -10.034 -0.248 12.989 92 HA SER 11 HA SER 11 -12.816 -0.234 14.156 93 HB2 SER 11 1HB SER 11 -11.334 -2.179 14.740 94 HB3 SER 11 2HB SER 11 -10.212 -1.073 15.525 95 HG SER 11 HG SER 11 -12.046 -0.379 16.838 96 H GLU 12 H GLU 12 -9.585 1.280 14.573 97 HA GLU 12 HA GLU 12 -10.874 3.865 14.867 98 HB2 GLU 12 1HB GLU 12 -10.361 4.642 17.014 99 HB3 GLU 12 2HB GLU 12 -11.235 3.151 17.165 100 HG2 GLU 12 1HG GLU 12 -9.702 2.556 18.700 101 HG3 GLU 12 2HG GLU 12 -8.661 2.137 17.361 102 H SER 13 H SER 13 -9.645 5.515 14.360 103 HA SER 13 HA SER 13 -6.671 5.132 13.674 104 HB2 SER 13 1HB SER 13 -8.888 6.755 12.331 105 HB3 SER 13 2HB SER 13 -7.273 7.399 12.340 106 HG SER 13 HG SER 13 -8.055 4.842 11.384 107 H HIS 14 H HIS 14 -5.754 5.688 15.493 108 HA HIS 14 HA HIS 14 -6.870 7.604 17.348 109 HB2 HIS 14 1HB HIS 14 -5.454 5.400 17.716 110 HB3 HIS 14 2HB HIS 14 -4.054 6.454 17.687 111 HD1 HIS 14 HD1 HIS 14 -6.749 5.093 19.799 112 HD2 HIS 14 HD2 HIS 14 -4.487 8.763 19.732 113 HE1 HIS 14 HE1 HIS 14 -6.892 6.280 22.114 114 HE2 HIS 14 HE2 HIS 14 -5.585 8.520 22.151 115 H ASN 15 H ASN 15 -3.780 7.859 15.657 116 HA ASN 15 HA ASN 15 -4.082 10.886 15.710 117 HB2 ASN 15 1HB ASN 15 -1.389 9.422 16.009 118 HB3 ASN 15 2HB ASN 15 -1.613 11.159 15.873 119 HD21 ASN 15 1HD2 ASN 15 -0.108 10.015 17.875 120 HD22 ASN 15 2HD2 ASN 15 -1.008 10.376 19.434 121 H PHE 16 H PHE 16 -4.693 8.621 13.674 122 HA PHE 16 HA PHE 16 -2.613 8.960 11.591 123 HB2 PHE 16 1HB PHE 16 -3.784 6.835 12.148 124 HB3 PHE 16 2HB PHE 16 -5.307 7.496 11.599 125 HD1 PHE 16 HD1 PHE 16 -1.816 6.955 10.337 126 HD2 PHE 16 HD2 PHE 16 -5.996 6.914 9.376 127 HE1 PHE 16 HE1 PHE 16 -1.291 6.104 8.045 128 HE2 PHE 16 HE2 PHE 16 -5.491 6.025 7.144 129 HZ PHE 16 HZ PHE 16 -3.149 5.607 6.464 130 H ASP 17 H ASP 17 -3.046 11.389 11.642 131 HA ASP 17 HA ASP 17 -4.111 11.882 8.876 132 HB2 ASP 17 1HB ASP 17 -5.695 13.394 9.258 133 HB3 ASP 17 2HB ASP 17 -5.935 12.402 10.644 134 H ALA 18 H ALA 18 -2.411 13.505 11.515 135 HA ALA 18 HA ALA 18 -0.958 15.439 9.779 136 HB1 ALA 18 3HB ALA 18 -1.449 15.769 12.295 137 HB2 ALA 18 1HB ALA 18 -0.217 14.514 12.637 138 HB3 ALA 18 2HB ALA 18 0.247 16.038 11.853 139 H VAL 19 H VAL 19 -0.355 12.278 10.753 140 HA VAL 19 HA VAL 19 2.452 11.779 10.185 141 HB VAL 19 HB VAL 19 0.740 10.308 11.296 142 HG11 VAL 19 1HG1 VAL 19 -0.571 8.697 10.127 143 HG12 VAL 19 2HG1 VAL 19 -1.093 10.312 9.613 144 HG13 VAL 19 3HG1 VAL 19 -0.103 9.304 8.525 145 HG21 VAL 19 3HG2 VAL 19 2.983 9.489 10.839 146 HG22 VAL 19 1HG2 VAL 19 1.833 8.171 10.591 147 HG23 VAL 19 2HG2 VAL 19 2.555 8.999 9.189 148 H MET 20 H MET 20 -0.247 12.059 7.989 149 HA MET 20 HA MET 20 1.440 11.557 5.550 150 HB2 MET 20 1HB MET 20 -1.523 12.402 5.884 151 HB3 MET 20 2HB MET 20 -0.735 12.363 4.324 152 HG2 MET 20 1HG MET 20 -0.248 9.886 4.596 153 HG3 MET 20 2HG MET 20 -1.117 9.908 6.145 154 HE1 MET 20 3HE MET 20 -2.906 8.101 5.322 155 HE2 MET 20 1HE MET 20 -3.685 8.181 3.715 156 HE3 MET 20 2HE MET 20 -1.914 7.986 3.836 157 H SER 21 H SER 21 -0.247 14.342 7.022 158 HA SER 21 HA SER 21 0.725 16.302 5.094 159 HB2 SER 21 1HB SER 21 -1.236 16.508 6.805 160 HB3 SER 21 2HB SER 21 -0.042 16.883 8.040 161 HG SER 21 HG SER 21 0.673 18.603 6.526 162 H LYS 22 H LYS 22 2.276 15.223 8.125 163 HA LYS 22 HA LYS 22 4.550 17.083 7.880 164 HB2 LYS 22 1HB LYS 22 5.377 16.136 9.776 165 HB3 LYS 22 2HB LYS 22 3.653 15.831 9.948 166 HG2 LYS 22 1HG LYS 22 4.112 13.443 8.989 167 HG3 LYS 22 2HG LYS 22 5.821 13.766 9.189 168 HD2 LYS 22 1HD LYS 22 3.628 13.792 11.357 169 HD3 LYS 22 2HD LYS 22 4.768 12.499 11.070 170 HE2 LYS 22 1HE LYS 22 5.555 15.328 12.100 171 HE3 LYS 22 2HE LYS 22 5.235 13.949 13.114 172 HZ1 LYS 22 3HZ LYS 22 7.121 12.722 11.940 173 HZ2 LYS 22 1HZ LYS 22 7.510 14.132 11.151 174 HZ3 LYS 22 2HZ LYS 22 7.602 14.028 12.819 175 H LEU 23 H LEU 23 3.871 14.153 6.175 176 HA LEU 23 HA LEU 23 6.604 14.047 4.903 177 HB2 LEU 23 1HB LEU 23 4.756 12.022 5.233 178 HB3 LEU 23 2HB LEU 23 4.119 12.683 3.761 179 HG LEU 23 HG LEU 23 6.744 12.542 2.961 180 HD11 LEU 23 1HD1 LEU 23 6.605 10.262 5.053 181 HD12 LEU 23 2HD1 LEU 23 7.981 10.731 4.036 182 HD13 LEU 23 3HD1 LEU 23 7.447 11.793 5.346 183 HD21 LEU 23 3HD2 LEU 23 6.262 10.258 2.041 184 HD22 LEU 23 1HD2 LEU 23 4.913 10.047 3.168 185 HD23 LEU 23 2HD2 LEU 23 4.826 11.282 1.891 186 H GLY 24 H GLY 24 3.633 15.788 4.478 187 HA2 GLY 24 1HA GLY 24 3.542 17.861 3.150 188 HA3 GLY 24 2HA GLY 24 4.841 17.295 2.128 189 H VAL 25 H VAL 25 1.652 16.053 3.040 190 HA VAL 25 HA VAL 25 1.233 15.006 0.296 191 HB VAL 25 HB VAL 25 -0.200 14.558 2.975 192 HG11 VAL 25 1HG1 VAL 25 -1.293 12.564 1.957 193 HG12 VAL 25 2HG1 VAL 25 -1.806 13.997 1.060 194 HG13 VAL 25 3HG1 VAL 25 -0.590 12.931 0.360 195 HG21 VAL 25 3HG2 VAL 25 1.011 12.314 2.860 196 HG22 VAL 25 1HG2 VAL 25 1.707 12.743 1.284 197 HG23 VAL 25 2HG2 VAL 25 2.187 13.635 2.744 198 H SER 26 H SER 26 -0.280 15.422 -1.107 199 HA SER 26 HA SER 26 -1.480 17.936 -1.432 200 HB2 SER 26 1HB SER 26 -3.098 16.715 -3.105 201 HB3 SER 26 2HB SER 26 -1.369 16.702 -3.359 202 HG SER 26 HG SER 26 -1.169 14.638 -2.604 203 H TRP 27 H TRP 27 -3.224 19.014 -0.846 204 HA TRP 27 HA TRP 27 -4.960 18.036 1.308 205 HB2 TRP 27 1HB TRP 27 -4.761 20.685 -0.242 206 HB3 TRP 27 2HB TRP 27 -6.007 20.445 0.965 207 HD1 TRP 27 HD1 TRP 27 -2.038 20.661 0.833 208 HE1 TRP 27 HE1 TRP 27 -1.048 20.946 3.248 209 HE3 TRP 27 HE3 TRP 27 -6.457 20.072 3.377 210 HZ2 TRP 27 HZ2 TRP 27 -2.177 20.847 5.865 211 HZ3 TRP 27 HZ3 TRP 27 -6.411 20.035 5.823 212 HH2 TRP 27 HH2 TRP 27 -4.322 20.471 7.078 213 H ALA 28 H ALA 28 -5.399 16.623 -1.011 214 HA ALA 28 HA ALA 28 -8.349 16.339 -0.465 215 HB1 ALA 28 3HB ALA 28 -8.874 15.375 -2.700 216 HB2 ALA 28 1HB ALA 28 -8.273 17.033 -2.878 217 HB3 ALA 28 2HB ALA 28 -7.210 15.658 -3.261 218 H THR 29 H THR 29 -5.349 14.688 -1.459 219 HA THR 29 HA THR 29 -6.207 11.986 -0.586 220 HB THR 29 HB THR 29 -3.852 11.317 -0.822 221 HG1 THR 29 HG1 THR 29 -2.967 13.783 -1.760 222 HG21 THR 29 3HG2 THR 29 -4.658 13.126 -3.182 223 HG22 THR 29 1HG2 THR 29 -3.364 11.924 -3.193 224 HG23 THR 29 2HG2 THR 29 -5.059 11.411 -2.958 225 H ARG 30 H ARG 30 -4.579 14.596 1.006 226 HA ARG 30 HA ARG 30 -3.835 13.181 3.484 227 HB2 ARG 30 1HB ARG 30 -2.757 15.227 2.591 228 HB3 ARG 30 2HB ARG 30 -4.220 16.152 2.721 229 HG2 ARG 30 1HG ARG 30 -2.987 14.882 5.242 230 HG3 ARG 30 2HG ARG 30 -2.192 16.254 4.471 231 HD2 ARG 30 1HD ARG 30 -4.106 17.705 4.675 232 HD3 ARG 30 2HD ARG 30 -5.198 16.439 5.147 233 HE ARG 30 HE ARG 30 -3.121 17.772 6.901 234 HH11 ARG 30 1HH1 ARG 30 -5.513 15.152 6.745 235 HH12 ARG 30 2HH1 ARG 30 -5.645 15.235 8.584 236 HH21 ARG 30 1HH2 ARG 30 -3.368 17.663 8.993 237 HH22 ARG 30 2HH2 ARG 30 -4.554 16.414 9.689 238 H GLN 31 H GLN 31 -6.831 13.899 2.276 239 HA GLN 31 HA GLN 31 -8.230 14.106 4.992 240 HB2 GLN 31 1HB GLN 31 -9.011 15.062 2.176 241 HB3 GLN 31 2HB GLN 31 -10.279 14.616 3.282 242 HG2 GLN 31 1HG GLN 31 -9.935 17.006 3.379 243 HG3 GLN 31 2HG GLN 31 -9.680 16.261 4.936 244 HE21 GLN 31 1HE2 GLN 31 -7.599 17.061 2.106 245 HE22 GLN 31 2HE2 GLN 31 -6.317 17.818 3.191 246 H ILE 32 H ILE 32 -7.965 12.080 2.078 247 HA ILE 32 HA ILE 32 -10.211 10.255 2.892 248 HB ILE 32 HB ILE 32 -8.372 10.436 0.513 249 HG12 ILE 32 1HG1 ILE 32 -10.554 9.800 -0.663 250 HG13 ILE 32 2HG1 ILE 32 -11.362 9.699 0.880 251 HG21 ILE 32 1HG2 ILE 32 -7.926 8.036 1.064 252 HG22 ILE 32 2HG2 ILE 32 -9.651 7.719 1.253 253 HG23 ILE 32 3HG2 ILE 32 -8.987 8.169 -0.337 254 HD11 ILE 32 3HD1 ILE 32 -11.699 11.879 -0.435 255 HD12 ILE 32 1HD1 ILE 32 -11.118 12.157 1.222 256 HD13 ILE 32 2HD1 ILE 32 -9.986 12.282 -0.138 257 H GLY 33 H GLY 33 -6.803 10.431 3.339 258 HA2 GLY 33 1HA GLY 33 -6.156 7.952 4.785 259 HA3 GLY 33 2HA GLY 33 -5.519 9.526 5.221 260 H ASN 34 H ASN 34 -7.520 10.936 6.267 261 HA ASN 34 HA ASN 34 -8.665 9.286 8.525 262 HB2 ASN 34 1HB ASN 34 -8.809 11.357 9.749 263 HB3 ASN 34 2HB ASN 34 -7.232 11.238 9.028 264 HD21 ASN 34 1HD2 ASN 34 -10.323 12.905 8.734 265 HD22 ASN 34 2HD2 ASN 34 -9.575 14.359 7.890 266 H THR 35 H THR 35 -10.003 8.985 6.021 267 HA THR 35 HA THR 35 -12.815 9.680 6.887 268 HB THR 35 HB THR 35 -11.728 10.630 4.192 269 HG1 THR 35 HG1 THR 35 -11.016 12.074 5.507 270 HG21 THR 35 3HG2 THR 35 -14.488 11.166 5.430 271 HG22 THR 35 1HG2 THR 35 -13.855 11.829 3.904 272 HG23 THR 35 2HG2 THR 35 -14.180 10.091 4.041 273 H VAL 36 H VAL 36 -11.193 8.407 3.909 274 HA VAL 36 HA VAL 36 -13.205 6.139 4.064 275 HB VAL 36 HB VAL 36 -11.745 7.008 1.519 276 HG11 VAL 36 1HG1 VAL 36 -13.532 5.564 0.445 277 HG12 VAL 36 2HG1 VAL 36 -12.667 4.606 1.655 278 HG13 VAL 36 3HG1 VAL 36 -14.278 5.259 2.020 279 HG21 VAL 36 3HG2 VAL 36 -14.109 7.944 0.851 280 HG22 VAL 36 1HG2 VAL 36 -14.426 7.995 2.622 281 HG23 VAL 36 2HG2 VAL 36 -13.108 8.917 1.950 282 H THR 37 H THR 37 -12.166 4.720 5.182 283 HA THR 37 HA THR 37 -9.724 4.304 5.920 284 HB THR 37 HB THR 37 -10.090 2.006 6.490 285 HG1 THR 37 HG1 THR 37 -11.042 1.707 4.129 286 HG21 THR 37 3HG2 THR 37 -12.172 2.069 7.638 287 HG22 THR 37 1HG2 THR 37 -11.891 3.823 7.341 288 HG23 THR 37 2HG2 THR 37 -13.005 2.911 6.326 289 HA PRO 38 HA PRO 38 -6.978 2.486 2.571 290 HB2 PRO 38 1HB PRO 38 -4.846 1.665 4.111 291 HB3 PRO 38 2HB PRO 38 -5.160 3.363 3.682 292 HG2 PRO 38 1HG PRO 38 -5.957 1.908 6.267 293 HG3 PRO 38 2HG PRO 38 -5.074 3.462 6.146 294 HD2 PRO 38 1HD PRO 38 -7.807 3.375 6.570 295 HD3 PRO 38 2HD PRO 38 -7.109 4.657 5.528 296 H THR 39 H THR 39 -8.385 0.884 1.966 297 HA THR 39 HA THR 39 -9.046 -1.428 3.573 298 HB THR 39 HB THR 39 -9.263 -1.109 0.545 299 HG1 THR 39 HG1 THR 39 -10.688 0.258 0.826 300 HG21 THR 39 3HG2 THR 39 -11.019 -2.727 2.504 301 HG22 THR 39 1HG2 THR 39 -11.371 -2.432 0.785 302 HG23 THR 39 2HG2 THR 39 -9.943 -3.389 1.233 303 H VAL 40 H VAL 40 -6.875 -1.777 4.089 304 HA VAL 40 HA VAL 40 -4.836 -2.637 2.319 305 HB VAL 40 HB VAL 40 -4.451 -1.293 4.191 306 HG11 VAL 40 1HG1 VAL 40 -5.960 -2.107 5.969 307 HG12 VAL 40 2HG1 VAL 40 -5.089 -3.635 6.081 308 HG13 VAL 40 3HG1 VAL 40 -4.302 -2.100 6.567 309 HG21 VAL 40 3HG2 VAL 40 -2.362 -2.300 5.102 310 HG22 VAL 40 1HG2 VAL 40 -2.829 -3.901 4.476 311 HG23 VAL 40 2HG2 VAL 40 -2.518 -2.545 3.357 312 H THR 41 H THR 41 -5.413 -4.313 1.209 313 HA THR 41 HA THR 41 -6.425 -6.850 2.442 314 HB THR 41 HB THR 41 -6.414 -5.850 -0.424 315 HG1 THR 41 HG1 THR 41 -7.633 -4.514 0.874 316 HG21 THR 41 3HG2 THR 41 -8.038 -8.139 0.839 317 HG22 THR 41 1HG2 THR 41 -8.377 -7.365 -0.730 318 HG23 THR 41 2HG2 THR 41 -6.865 -8.260 -0.483 319 H PHE 42 H PHE 42 -4.671 -7.791 3.253 320 HA PHE 42 HA PHE 42 -2.139 -7.951 1.601 321 HB2 PHE 42 1HB PHE 42 -2.649 -7.157 4.228 322 HB3 PHE 42 2HB PHE 42 -2.296 -8.817 4.542 323 HD1 PHE 42 HD1 PHE 42 0.004 -9.644 3.066 324 HD2 PHE 42 HD2 PHE 42 -0.862 -5.669 4.470 325 HE1 PHE 42 HE1 PHE 42 2.418 -9.140 3.179 326 HE2 PHE 42 HE2 PHE 42 1.561 -5.182 4.550 327 HZ PHE 42 HZ PHE 42 3.195 -6.918 3.907 328 H THR 43 H THR 43 -2.299 -9.630 0.291 329 HA THR 43 HA THR 43 -3.110 -12.376 1.381 330 HB THR 43 HB THR 43 -4.422 -12.689 -0.663 331 HG1 THR 43 HG1 THR 43 -3.511 -10.083 -1.332 332 HG21 THR 43 3HG2 THR 43 -5.286 -9.873 0.182 333 HG22 THR 43 1HG2 THR 43 -6.285 -11.286 -0.210 334 HG23 THR 43 2HG2 THR 43 -5.402 -11.189 1.349 335 H MET 44 H MET 44 -2.073 -14.196 0.614 336 HA MET 44 HA MET 44 0.441 -13.831 -0.969 337 HB2 MET 44 1HB MET 44 0.281 -15.331 1.023 338 HB3 MET 44 2HB MET 44 -0.727 -16.455 0.104 339 HG2 MET 44 1HG MET 44 2.155 -15.604 -0.648 340 HG3 MET 44 2HG MET 44 1.735 -17.052 0.265 341 HE1 MET 44 3HE MET 44 0.247 -19.471 -2.333 342 HE2 MET 44 1HE MET 44 0.956 -19.265 -0.707 343 HE3 MET 44 2HE MET 44 -0.658 -18.577 -1.078 344 H ASP 45 H ASP 45 0.315 -13.576 -3.090 345 HA ASP 45 HA ASP 45 -1.859 -14.965 -4.730 346 HB2 ASP 45 1HB ASP 45 -1.596 -12.427 -4.753 347 HB3 ASP 45 2HB ASP 45 -0.027 -12.615 -5.532 348 H GLY 46 H GLY 46 -0.884 -16.946 -4.676 349 HA2 GLY 46 1HA GLY 46 0.149 -18.712 -6.024 350 HA3 GLY 46 2HA GLY 46 1.024 -17.512 -6.945 351 H ASP 47 H ASP 47 2.630 -16.348 -5.488 352 HA ASP 47 HA ASP 47 4.275 -18.296 -3.817 353 HB2 ASP 47 1HB ASP 47 5.424 -18.003 -5.987 354 HB3 ASP 47 2HB ASP 47 5.316 -16.253 -5.895 355 H LYS 48 H LYS 48 3.791 -14.817 -4.473 356 HA LYS 48 HA LYS 48 4.727 -14.289 -1.624 357 HB2 LYS 48 1HB LYS 48 6.004 -12.560 -2.386 358 HB3 LYS 48 2HB LYS 48 6.300 -13.895 -3.472 359 HG2 LYS 48 1HG LYS 48 4.731 -12.682 -5.184 360 HG3 LYS 48 2HG LYS 48 4.640 -11.360 -4.035 361 HD2 LYS 48 1HD LYS 48 6.466 -10.474 -4.966 362 HD3 LYS 48 2HD LYS 48 7.436 -11.669 -4.170 363 HE2 LYS 48 1HE LYS 48 6.221 -12.009 -7.002 364 HE3 LYS 48 2HE LYS 48 7.837 -11.387 -6.671 365 HZ1 LYS 48 2HZ LYS 48 7.711 -13.815 -7.192 366 HZ3 LYS 48 1HZ LYS 48 6.944 -14.098 -5.784 367 H MET 49 H MET 49 4.333 -11.998 -0.922 368 HA MET 49 HA MET 49 1.366 -12.005 -0.441 369 HB2 MET 49 1HB MET 49 3.601 -10.489 1.035 370 HB3 MET 49 2HB MET 49 1.878 -10.379 1.393 371 HG2 MET 49 1HG MET 49 1.778 -12.852 1.899 372 HG3 MET 49 2HG MET 49 3.521 -12.979 1.608 373 HE1 MET 49 3HE MET 49 2.387 -13.999 4.192 374 HE2 MET 49 1HE MET 49 4.162 -13.828 4.095 375 HE3 MET 49 2HE MET 49 3.276 -13.200 5.516 376 H THR 50 H THR 50 -0.003 -10.405 -0.946 377 HA THR 50 HA THR 50 1.052 -7.980 -2.458 378 HB THR 50 HB THR 50 -1.357 -9.784 -3.226 379 HG1 THR 50 HG1 THR 50 0.717 -10.765 -3.491 380 HG21 THR 50 3HG2 THR 50 -1.574 -7.449 -4.124 381 HG22 THR 50 1HG2 THR 50 0.058 -7.536 -4.791 382 HG23 THR 50 2HG2 THR 50 -1.204 -8.606 -5.429 383 H MET 51 H MET 51 0.219 -6.185 -1.834 384 HA MET 51 HA MET 51 -2.215 -5.998 -0.018 385 HB2 MET 51 1HB MET 51 0.054 -4.119 -0.662 386 HB3 MET 51 2HB MET 51 -1.492 -3.358 -0.460 387 HG2 MET 51 1HG MET 51 -1.746 -4.069 1.817 388 HG3 MET 51 2HG MET 51 -0.519 -5.325 1.671 389 HE1 MET 51 3HE MET 51 -0.172 -1.432 0.332 390 HE2 MET 51 1HE MET 51 -1.145 -1.403 1.832 391 HE3 MET 51 2HE MET 51 0.529 -0.768 1.826 392 H LEU 52 H LEU 52 -3.899 -6.407 -1.288 393 HA LEU 52 HA LEU 52 -4.337 -4.981 -3.903 394 HB2 LEU 52 1HB LEU 52 -6.271 -6.807 -2.365 395 HB3 LEU 52 2HB LEU 52 -6.418 -6.321 -4.030 396 HG LEU 52 HG LEU 52 -4.039 -7.982 -2.951 397 HD11 LEU 52 1HD1 LEU 52 -5.083 -9.988 -3.733 398 HD12 LEU 52 2HD1 LEU 52 -6.210 -9.216 -2.612 399 HD13 LEU 52 3HD1 LEU 52 -6.523 -9.127 -4.364 400 HD21 LEU 52 3HD2 LEU 52 -5.028 -7.472 -5.843 401 HD22 LEU 52 1HD2 LEU 52 -3.535 -6.863 -5.076 402 HD23 LEU 52 2HD2 LEU 52 -3.731 -8.598 -5.376 403 H THR 53 H THR 53 -3.977 -3.015 -2.528 404 HA THR 53 HA THR 53 -5.802 -2.070 -0.570 405 HB THR 53 HB THR 53 -3.759 -0.600 -2.320 406 HG1 THR 53 HG1 THR 53 -2.536 -0.851 -0.433 407 HG21 THR 53 3HG2 THR 53 -5.303 1.085 -1.182 408 HG22 THR 53 1HG2 THR 53 -4.982 0.309 0.378 409 HG23 THR 53 2HG2 THR 53 -3.661 1.127 -0.527 410 H GLU 54 H GLU 54 -7.740 -1.285 -0.716 411 HA GLU 54 HA GLU 54 -8.816 -0.245 -3.377 412 HB2 GLU 54 1HB GLU 54 -9.074 -2.704 -2.604 413 HB3 GLU 54 2HB GLU 54 -10.117 -2.166 -1.307 414 HG2 GLU 54 1HG GLU 54 -10.669 -1.809 -4.323 415 HG3 GLU 54 2HG GLU 54 -11.171 -3.170 -3.346 416 H SER 55 H SER 55 -8.498 1.875 -2.585 417 HA SER 55 HA SER 55 -10.581 2.895 -0.554 418 HB2 SER 55 1HB SER 55 -7.641 3.713 -1.026 419 HB3 SER 55 2HB SER 55 -8.747 4.699 -0.077 420 HG SER 55 HG SER 55 -9.037 3.023 1.383 421 H THR 56 H THR 56 -11.023 5.334 -0.841 422 HA THR 56 HA THR 56 -11.953 5.911 -3.500 423 HB THR 56 HB THR 56 -11.562 7.747 -1.084 424 HG1 THR 56 HG1 THR 56 -13.933 6.896 -2.324 425 HG21 THR 56 3HG2 THR 56 -11.711 9.313 -3.050 426 HG22 THR 56 1HG2 THR 56 -13.116 8.432 -3.676 427 HG23 THR 56 2HG2 THR 56 -13.219 9.303 -2.125 428 H PHE 57 H PHE 57 -8.858 6.976 -2.118 429 HA PHE 57 HA PHE 57 -8.158 8.240 -4.802 430 HB2 PHE 57 1HB PHE 57 -7.191 8.807 -1.981 431 HB3 PHE 57 2HB PHE 57 -5.986 8.890 -3.208 432 HD1 PHE 57 HD1 PHE 57 -6.502 10.353 -5.412 433 HD2 PHE 57 HD2 PHE 57 -8.819 10.619 -1.801 434 HE1 PHE 57 HE1 PHE 57 -7.376 12.529 -6.132 435 HE2 PHE 57 HE2 PHE 57 -9.767 12.724 -2.573 436 HZ PHE 57 HZ PHE 57 -9.026 13.731 -4.726 437 H LYS 58 H LYS 58 -6.920 5.874 -2.471 438 HA LYS 58 HA LYS 58 -5.083 4.810 -4.711 439 HB2 LYS 58 1HB LYS 58 -4.757 4.366 -1.690 440 HB3 LYS 58 2HB LYS 58 -3.869 3.516 -2.946 441 HG2 LYS 58 1HG LYS 58 -3.186 5.896 -3.865 442 HG3 LYS 58 2HG LYS 58 -3.736 6.535 -2.329 443 HD2 LYS 58 1HD LYS 58 -1.552 4.380 -2.778 444 HD3 LYS 58 2HD LYS 58 -1.262 6.088 -2.468 445 HE2 LYS 58 1HE LYS 58 -2.259 5.938 -0.186 446 HE3 LYS 58 2HE LYS 58 -2.691 4.243 -0.454 447 HZ1 LYS 58 3HZ LYS 58 -0.154 3.832 -0.969 448 HZ2 LYS 58 1HZ LYS 58 0.170 5.296 -0.435 449 HZ3 LYS 58 2HZ LYS 58 -0.453 4.199 0.613 450 H ASN 59 H ASN 59 -7.129 4.022 -5.567 451 HA ASN 59 HA ASN 59 -7.750 1.213 -4.556 452 HB2 ASN 59 1HB ASN 59 -9.387 3.135 -5.710 453 HB3 ASN 59 2HB ASN 59 -8.951 2.261 -7.144 454 HD21 ASN 59 1HD2 ASN 59 -10.930 2.329 -4.476 455 HD22 ASN 59 2HD2 ASN 59 -11.619 0.627 -4.584 456 H LEU 60 H LEU 60 -5.728 0.301 -4.831 457 HA LEU 60 HA LEU 60 -4.805 -0.398 -7.563 458 HB2 LEU 60 1HB LEU 60 -2.594 0.741 -7.470 459 HB3 LEU 60 2HB LEU 60 -3.961 1.817 -7.528 460 HG LEU 60 HG LEU 60 -3.685 1.853 -4.821 461 HD11 LEU 60 1HD1 LEU 60 -1.692 0.258 -4.727 462 HD12 LEU 60 2HD1 LEU 60 -0.776 1.325 -5.803 463 HD13 LEU 60 3HD1 LEU 60 -1.238 1.872 -4.179 464 HD21 LEU 60 3HD2 LEU 60 -1.869 3.467 -6.758 465 HD22 LEU 60 1HD2 LEU 60 -3.558 3.860 -6.349 466 HD23 LEU 60 2HD2 LEU 60 -2.298 3.931 -5.098 467 H SER 61 H SER 61 -3.489 -2.169 -7.652 468 HA SER 61 HA SER 61 -2.862 -3.544 -5.044 469 HB2 SER 61 1HB SER 61 -2.469 -5.566 -6.425 470 HB3 SER 61 2HB SER 61 -4.069 -4.870 -6.729 471 HG SER 61 HG SER 61 -1.797 -4.234 -8.330 472 H VAL 62 H VAL 62 -0.865 -3.903 -4.268 473 HA VAL 62 HA VAL 62 1.578 -3.590 -6.050 474 HB VAL 62 HB VAL 62 2.750 -2.852 -3.907 475 HG11 VAL 62 1HG1 VAL 62 0.964 -0.894 -5.487 476 HG12 VAL 62 2HG1 VAL 62 2.389 -0.445 -4.516 477 HG13 VAL 62 3HG1 VAL 62 2.586 -1.456 -5.955 478 HG21 VAL 62 3HG2 VAL 62 1.532 -1.394 -2.362 479 HG22 VAL 62 1HG2 VAL 62 -0.018 -1.726 -3.184 480 HG23 VAL 62 2HG2 VAL 62 0.823 -3.028 -2.318 481 H THR 63 H THR 63 3.106 -5.093 -5.847 482 HA THR 63 HA THR 63 2.532 -7.533 -4.077 483 HB THR 63 HB THR 63 3.581 -7.650 -6.997 484 HG1 THR 63 HG1 THR 63 1.315 -7.029 -6.587 485 HG21 THR 63 3HG2 THR 63 4.304 -9.680 -5.915 486 HG22 THR 63 1HG2 THR 63 2.829 -9.827 -4.947 487 HG23 THR 63 2HG2 THR 63 2.779 -10.129 -6.703 488 H PHE 64 H PHE 64 4.168 -8.516 -3.247 489 HA PHE 64 HA PHE 64 7.051 -7.735 -3.480 490 HB2 PHE 64 1HB PHE 64 7.051 -6.472 -1.246 491 HB3 PHE 64 2HB PHE 64 6.279 -5.709 -2.582 492 HD1 PHE 64 HD1 PHE 64 4.851 -8.263 -0.034 493 HD2 PHE 64 HD2 PHE 64 4.361 -4.501 -2.060 494 HE1 PHE 64 HE1 PHE 64 2.644 -8.015 0.880 495 HE2 PHE 64 HE2 PHE 64 2.277 -4.139 -0.877 496 HZ PHE 64 HZ PHE 64 1.390 -5.923 0.644 497 H LYS 65 H LYS 65 8.341 -8.538 -1.524 498 HA LYS 65 HA LYS 65 6.911 -10.591 0.127 499 HB2 LYS 65 1HB LYS 65 7.946 -12.487 -0.496 500 HB3 LYS 65 2HB LYS 65 7.874 -11.653 -2.000 501 HG2 LYS 65 1HG LYS 65 10.442 -10.926 -1.323 502 HG3 LYS 65 2HG LYS 65 10.322 -12.369 -0.347 503 HD2 LYS 65 1HD LYS 65 9.814 -12.059 -3.375 504 HD3 LYS 65 2HD LYS 65 11.262 -12.731 -2.668 505 HE2 LYS 65 1HE LYS 65 10.136 -14.787 -1.918 506 HE3 LYS 65 2HE LYS 65 8.533 -14.102 -2.132 507 HZ1 LYS 65 3HZ LYS 65 8.682 -15.270 -4.138 508 HZ2 LYS 65 1HZ LYS 65 9.225 -13.816 -4.620 509 HZ3 LYS 65 2HZ LYS 65 10.334 -15.009 -4.335 510 H PHE 66 H PHE 66 8.237 -11.557 1.928 511 HA PHE 66 HA PHE 66 9.261 -9.281 3.470 512 HB2 PHE 66 1HB PHE 66 9.523 -10.759 5.326 513 HB3 PHE 66 2HB PHE 66 7.931 -10.602 4.683 514 HD1 PHE 66 HD1 PHE 66 10.748 -12.976 5.230 515 HD2 PHE 66 HD2 PHE 66 6.717 -12.567 3.759 516 HE1 PHE 66 HE1 PHE 66 10.454 -15.419 5.332 517 HE2 PHE 66 HE2 PHE 66 6.438 -15.013 3.866 518 HZ PHE 66 HZ PHE 66 8.298 -16.445 4.654 519 H GLY 67 H GLY 67 10.757 -8.733 2.236 520 HA2 GLY 67 1HA GLY 67 13.658 -9.251 2.490 521 HA3 GLY 67 2HA GLY 67 12.958 -10.164 1.145 522 H GLU 68 H GLU 68 11.055 -8.268 0.230 523 HA GLU 68 HA GLU 68 12.872 -6.668 -1.488 524 HB2 GLU 68 1HB GLU 68 9.799 -6.586 -1.491 525 HB3 GLU 68 2HB GLU 68 10.890 -5.989 -2.733 526 HG2 GLU 68 1HG GLU 68 10.336 -8.897 -1.993 527 HG3 GLU 68 2HG GLU 68 9.863 -8.052 -3.459 528 H GLU 69 H GLU 69 13.180 -4.532 -1.516 529 HA GLU 69 HA GLU 69 11.419 -2.607 0.076 530 HB2 GLU 69 1HB GLU 69 12.861 -0.791 -0.486 531 HB3 GLU 69 2HB GLU 69 13.617 -2.021 0.500 532 HG2 GLU 69 1HG GLU 69 15.017 -2.818 -1.376 533 HG3 GLU 69 2HG GLU 69 14.162 -1.815 -2.539 534 H PHE 70 H PHE 70 9.584 -3.040 -1.094 535 HA PHE 70 HA PHE 70 9.459 -2.892 -4.035 536 HB2 PHE 70 1HB PHE 70 7.274 -3.468 -4.007 537 HB3 PHE 70 2HB PHE 70 8.042 -4.371 -2.737 538 HD1 PHE 70 HD1 PHE 70 7.555 -3.733 -0.296 539 HD2 PHE 70 HD2 PHE 70 5.479 -1.820 -3.546 540 HE1 PHE 70 HE1 PHE 70 5.871 -2.908 1.258 541 HE2 PHE 70 HE2 PHE 70 3.801 -0.975 -1.970 542 HZ PHE 70 HZ PHE 70 3.975 -1.508 0.451 543 H ASP 71 H ASP 71 8.833 -1.062 -5.342 544 HA ASP 71 HA ASP 71 8.364 1.596 -4.080 545 HB2 ASP 71 1HB ASP 71 8.260 0.688 -6.967 546 HB3 ASP 71 2HB ASP 71 7.792 2.308 -6.499 547 H GLU 72 H GLU 72 6.531 2.496 -3.474 548 HA GLU 72 HA GLU 72 3.829 1.284 -4.237 549 HB2 GLU 72 1HB GLU 72 4.821 1.260 -1.836 550 HB3 GLU 72 2HB GLU 72 4.584 2.989 -1.776 551 HG2 GLU 72 1HG GLU 72 2.306 0.984 -2.339 552 HG3 GLU 72 2HG GLU 72 2.896 1.356 -0.731 553 H LYS 73 H LYS 73 3.217 2.458 -5.971 554 HA LYS 73 HA LYS 73 3.911 5.367 -6.216 555 HB2 LYS 73 1HB LYS 73 4.072 3.748 -8.142 556 HB3 LYS 73 2HB LYS 73 2.331 3.592 -8.186 557 HG2 LYS 73 1HG LYS 73 3.220 6.493 -8.262 558 HG3 LYS 73 2HG LYS 73 4.044 5.534 -9.456 559 HD2 LYS 73 1HD LYS 73 2.186 6.451 -10.547 560 HD3 LYS 73 2HD LYS 73 1.847 4.729 -10.403 561 HE2 LYS 73 1HE LYS 73 0.291 5.167 -8.452 562 HE3 LYS 73 2HE LYS 73 0.712 6.880 -8.457 563 HZ1 LYS 73 3HZ LYS 73 -0.219 7.030 -10.776 564 HZ2 LYS 73 1HZ LYS 73 -0.602 5.435 -10.770 565 HZ3 LYS 73 2HZ LYS 73 -1.376 6.470 -9.752 566 H THR 74 H THR 74 2.771 6.845 -5.332 567 HA THR 74 HA THR 74 0.139 6.240 -4.210 568 HB THR 74 HB THR 74 0.529 8.341 -2.897 569 HG1 THR 74 HG1 THR 74 3.060 8.500 -4.087 570 HG21 THR 74 3HG2 THR 74 2.639 7.647 -1.738 571 HG22 THR 74 1HG2 THR 74 1.624 6.221 -2.079 572 HG23 THR 74 2HG2 THR 74 3.043 6.545 -3.072 573 H SER 75 H SER 75 -1.728 7.478 -4.225 574 HA SER 75 HA SER 75 -2.653 9.003 -6.497 575 HB2 SER 75 1HB SER 75 -4.489 9.641 -4.954 576 HB3 SER 75 2HB SER 75 -4.146 7.923 -4.872 577 HG SER 75 HG SER 75 -3.293 9.940 -3.033 578 H ASP 76 H ASP 76 -0.866 10.136 -3.665 579 HA ASP 76 HA ASP 76 -1.019 12.994 -4.167 580 HB2 ASP 76 1HB ASP 76 -0.338 11.592 -2.060 581 HB3 ASP 76 2HB ASP 76 1.219 11.338 -2.842 582 H GLY 77 H GLY 77 0.678 10.519 -5.838 583 HA2 GLY 77 1HA GLY 77 1.649 10.812 -8.065 584 HA3 GLY 77 2HA GLY 77 1.916 12.515 -7.747 585 H ARG 78 H ARG 78 2.988 9.519 -6.112 586 HA ARG 78 HA ARG 78 5.897 10.379 -6.203 587 HB2 ARG 78 1HB ARG 78 4.425 9.969 -3.510 588 HB3 ARG 78 2HB ARG 78 6.073 10.494 -3.760 589 HG2 ARG 78 1HG ARG 78 5.230 12.743 -4.619 590 HG3 ARG 78 2HG ARG 78 3.593 12.135 -4.593 591 HD2 ARG 78 1HD ARG 78 3.625 13.443 -2.821 592 HD3 ARG 78 2HD ARG 78 3.596 11.804 -2.161 593 HE ARG 78 HE ARG 78 6.364 12.793 -2.159 594 HH11 ARG 78 1HH1 ARG 78 3.270 13.494 -0.611 595 HH12 ARG 78 2HH1 ARG 78 4.143 14.300 0.790 596 HH21 ARG 78 1HH2 ARG 78 7.245 13.731 -0.492 597 HH22 ARG 78 2HH2 ARG 78 6.225 14.325 0.907 598 H ASN 79 H ASN 79 6.896 8.469 -6.666 599 HA ASN 79 HA ASN 79 5.923 5.843 -5.633 600 HB2 ASN 79 1HB ASN 79 7.719 4.747 -6.664 601 HB3 ASN 79 2HB ASN 79 6.923 5.809 -7.791 602 HD21 ASN 79 1HD2 ASN 79 9.949 4.799 -6.730 603 HD22 ASN 79 2HD2 ASN 79 10.858 6.233 -7.461 604 H VAL 80 H VAL 80 6.133 5.296 -3.592 605 HA VAL 80 HA VAL 80 8.590 6.247 -2.001 606 HB VAL 80 HB VAL 80 7.466 6.238 0.020 607 HG11 VAL 80 1HG1 VAL 80 7.386 8.371 -1.452 608 HG12 VAL 80 2HG1 VAL 80 5.709 7.987 -1.854 609 HG13 VAL 80 3HG1 VAL 80 6.159 8.327 -0.160 610 HG21 VAL 80 3HG2 VAL 80 5.590 4.601 -0.183 611 HG22 VAL 80 1HG2 VAL 80 4.962 6.162 0.349 612 HG23 VAL 80 2HG2 VAL 80 4.736 5.636 -1.341 613 H LYS 81 H LYS 81 9.463 4.624 -0.664 614 HA LYS 81 HA LYS 81 8.934 1.886 -1.855 615 HB2 LYS 81 1HB LYS 81 11.523 3.301 -1.083 616 HB3 LYS 81 2HB LYS 81 11.443 1.614 -0.621 617 HG2 LYS 81 1HG LYS 81 10.970 0.884 -2.935 618 HG3 LYS 81 2HG LYS 81 10.887 2.555 -3.505 619 HD2 LYS 81 1HD LYS 81 13.272 2.959 -2.923 620 HD3 LYS 81 2HD LYS 81 13.375 1.440 -2.054 621 HE2 LYS 81 1HE LYS 81 14.521 1.087 -4.088 622 HE3 LYS 81 2HE LYS 81 13.059 0.109 -4.150 623 HZ1 LYS 81 3HZ LYS 81 12.058 1.531 -5.804 624 HZ2 LYS 81 1HZ LYS 81 12.923 2.852 -5.361 625 HZ3 LYS 81 2HZ LYS 81 13.650 1.645 -6.241 626 H SER 82 H SER 82 9.162 0.092 -0.365 627 HA SER 82 HA SER 82 9.303 0.768 2.558 628 HB2 SER 82 1HB SER 82 6.854 -0.770 1.543 629 HB3 SER 82 2HB SER 82 7.284 -0.488 3.238 630 HG SER 82 HG SER 82 7.249 1.774 1.644 631 H VAL 83 H VAL 83 10.626 -0.562 3.509 632 HA VAL 83 HA VAL 83 11.400 -3.194 2.287 633 HB VAL 83 HB VAL 83 13.082 -1.663 3.152 634 HG11 VAL 83 1HG1 VAL 83 12.208 -2.350 6.007 635 HG12 VAL 83 2HG1 VAL 83 13.751 -1.609 5.520 636 HG13 VAL 83 3HG1 VAL 83 12.241 -0.754 5.198 637 HG21 VAL 83 3HG2 VAL 83 14.533 -3.453 4.083 638 HG22 VAL 83 1HG2 VAL 83 13.114 -4.449 4.491 639 HG23 VAL 83 2HG2 VAL 83 13.527 -4.124 2.789 640 H VAL 84 H VAL 84 10.203 -4.911 2.587 641 HA VAL 84 HA VAL 84 8.202 -5.059 4.821 642 HB VAL 84 HB VAL 84 8.763 -7.133 2.645 643 HG11 VAL 84 1HG1 VAL 84 7.342 -7.836 4.742 644 HG12 VAL 84 2HG1 VAL 84 6.151 -6.620 4.265 645 HG13 VAL 84 3HG1 VAL 84 6.495 -7.995 3.181 646 HG21 VAL 84 3HG2 VAL 84 6.810 -6.222 1.385 647 HG22 VAL 84 1HG2 VAL 84 6.712 -4.836 2.504 648 HG23 VAL 84 2HG2 VAL 84 8.131 -5.049 1.473 649 H GLU 85 H GLU 85 8.685 -5.882 6.658 650 HA GLU 85 HA GLU 85 10.429 -8.384 6.920 651 HB2 GLU 85 1HB GLU 85 11.603 -6.744 8.133 652 HB3 GLU 85 2HB GLU 85 10.173 -5.997 8.815 653 HG2 GLU 85 1HG GLU 85 11.425 -7.184 10.527 654 HG3 GLU 85 2HG GLU 85 9.798 -7.801 10.392 655 H LYS 86 H LYS 86 9.439 -9.952 7.986 656 HA LYS 86 HA LYS 86 6.649 -9.748 8.981 657 HB2 LYS 86 1HB LYS 86 6.272 -10.668 6.704 658 HB3 LYS 86 2HB LYS 86 7.394 -11.967 7.008 659 HG2 LYS 86 1HG LYS 86 5.484 -12.071 9.235 660 HG3 LYS 86 2HG LYS 86 4.549 -11.597 7.851 661 HD2 LYS 86 1HD LYS 86 4.351 -13.863 7.859 662 HD3 LYS 86 2HD LYS 86 5.527 -13.608 6.568 663 HE2 LYS 86 1HE LYS 86 6.076 -14.584 9.461 664 HE3 LYS 86 2HE LYS 86 5.923 -15.609 8.062 665 HZ1 LYS 86 3HZ LYS 86 7.963 -14.410 7.092 666 HZ2 LYS 86 1HZ LYS 86 8.142 -13.607 8.523 667 HZ3 LYS 86 2HZ LYS 86 8.294 -15.247 8.474 668 H ASN 87 H ASN 87 7.061 -10.154 11.009 669 HA ASN 87 HA ASN 87 9.618 -11.747 11.712 670 HB2 ASN 87 1HB ASN 87 9.424 -9.247 12.291 671 HB3 ASN 87 2HB ASN 87 8.217 -9.662 13.483 672 HD21 ASN 87 1HD2 ASN 87 11.595 -10.088 12.549 673 HD22 ASN 87 2HD2 ASN 87 12.121 -10.506 14.281 674 H SER 88 H SER 88 8.442 -13.586 11.375 675 HA SER 88 HA SER 88 6.948 -15.344 11.613 676 HB2 SER 88 1HB SER 88 8.253 -15.798 13.618 677 HB3 SER 88 2HB SER 88 7.158 -14.842 14.622 678 HG SER 88 HG SER 88 6.068 -16.988 12.984 679 H GLU 89 H GLU 89 4.784 -15.395 13.694 680 HA GLU 89 HA GLU 89 2.904 -14.615 11.503 681 HB2 GLU 89 1HB GLU 89 3.106 -16.783 13.682 682 HB3 GLU 89 2HB GLU 89 1.605 -16.541 12.853 683 HG2 GLU 89 1HG GLU 89 2.922 -18.336 11.804 684 HG3 GLU 89 2HG GLU 89 2.483 -17.070 10.683 685 H SER 90 H SER 90 3.440 -12.954 14.011 686 HA SER 90 HA SER 90 0.885 -11.570 13.650 687 HB2 SER 90 1HB SER 90 0.213 -11.275 16.068 688 HB3 SER 90 2HB SER 90 0.154 -12.962 15.564 689 HG SER 90 HG SER 90 2.312 -13.146 16.479 690 H LYS 91 H LYS 91 3.676 -10.927 13.072 691 HA LYS 91 HA LYS 91 3.702 -8.139 14.162 692 HB2 LYS 91 1HB LYS 91 4.912 -9.906 15.810 693 HB3 LYS 91 2HB LYS 91 6.180 -9.928 14.631 694 HG2 LYS 91 1HG LYS 91 5.272 -7.744 16.539 695 HG3 LYS 91 2HG LYS 91 6.833 -8.516 16.371 696 HD2 LYS 91 1HD LYS 91 7.013 -7.257 14.045 697 HD3 LYS 91 2HD LYS 91 5.615 -6.332 14.563 698 HE2 LYS 91 1HE LYS 91 8.413 -6.464 15.864 699 HE3 LYS 91 2HE LYS 91 7.700 -5.118 14.979 700 HZ1 LYS 91 3HZ LYS 91 7.431 -4.591 17.345 701 HZ2 LYS 91 1HZ LYS 91 5.886 -5.051 16.932 702 HZ3 LYS 91 2HZ LYS 91 6.865 -6.089 17.716 703 H LEU 92 H LEU 92 3.341 -7.705 11.919 704 HA LEU 92 HA LEU 92 5.737 -8.121 10.071 705 HB2 LEU 92 1HB LEU 92 3.458 -8.730 9.390 706 HB3 LEU 92 2HB LEU 92 2.847 -7.110 9.571 707 HG LEU 92 HG LEU 92 5.226 -7.582 7.726 708 HD11 LEU 92 1HD1 LEU 92 3.833 -8.373 5.867 709 HD12 LEU 92 2HD1 LEU 92 3.717 -9.512 7.208 710 HD13 LEU 92 3HD1 LEU 92 2.373 -8.393 6.889 711 HD21 LEU 92 3HD2 LEU 92 2.675 -5.880 7.332 712 HD22 LEU 92 1HD2 LEU 92 4.224 -5.235 7.918 713 HD23 LEU 92 2HD2 LEU 92 4.105 -5.899 6.279 714 H THR 93 H THR 93 6.749 -6.284 9.047 715 HA THR 93 HA THR 93 6.191 -3.497 10.125 716 HB THR 93 HB THR 93 8.749 -5.098 10.626 717 HG1 THR 93 HG1 THR 93 6.678 -4.907 11.962 718 HG21 THR 93 3HG2 THR 93 9.577 -2.984 11.816 719 HG22 THR 93 1HG2 THR 93 9.625 -2.905 10.051 720 HG23 THR 93 2HG2 THR 93 8.353 -2.041 10.924 721 H GLN 94 H GLN 94 5.533 -3.081 8.140 722 HA GLN 94 HA GLN 94 7.379 -3.222 5.763 723 HB2 GLN 94 1HB GLN 94 5.020 -3.901 5.675 724 HB3 GLN 94 2HB GLN 94 4.472 -2.273 6.075 725 HG2 GLN 94 1HG GLN 94 5.321 -1.387 3.937 726 HG3 GLN 94 2HG GLN 94 6.172 -2.868 3.564 727 HE21 GLN 94 1HE2 GLN 94 4.813 -4.770 3.078 728 HE22 GLN 94 2HE2 GLN 94 3.214 -4.415 2.264 729 H THR 95 H THR 95 8.986 -1.846 6.557 730 HA THR 95 HA THR 95 8.435 0.851 7.707 731 HB THR 95 HB THR 95 11.166 -0.318 6.962 732 HG1 THR 95 HG1 THR 95 10.116 -1.694 8.315 733 HG21 THR 95 3HG2 THR 95 10.250 2.000 8.764 734 HG22 THR 95 1HG2 THR 95 11.785 1.170 9.020 735 HG23 THR 95 2HG2 THR 95 11.473 2.024 7.500 736 H GLN 96 H GLN 96 8.336 2.767 6.563 737 HA GLN 96 HA GLN 96 8.360 2.525 3.578 738 HB2 GLN 96 1HB GLN 96 7.183 4.519 5.545 739 HB3 GLN 96 2HB GLN 96 7.593 5.117 3.951 740 HG2 GLN 96 1HG GLN 96 6.111 3.518 2.842 741 HG3 GLN 96 2HG GLN 96 5.776 2.682 4.354 742 HE21 GLN 96 1HE2 GLN 96 5.634 6.104 3.097 743 HE22 GLN 96 2HE2 GLN 96 3.988 6.342 3.865 744 H VAL 97 H VAL 97 9.779 3.460 2.222 745 HA VAL 97 HA VAL 97 12.047 5.205 3.367 746 HB VAL 97 HB VAL 97 12.252 3.218 1.054 747 HG11 VAL 97 1HG1 VAL 97 14.634 3.862 1.042 748 HG12 VAL 97 2HG1 VAL 97 13.695 5.383 1.083 749 HG13 VAL 97 3HG1 VAL 97 14.467 4.791 2.559 750 HG21 VAL 97 3HG2 VAL 97 12.196 1.886 3.186 751 HG22 VAL 97 1HG2 VAL 97 13.837 1.931 2.530 752 HG23 VAL 97 2HG2 VAL 97 13.406 2.954 3.924 753 H ASP 98 H ASP 98 10.341 6.756 3.107 754 HA ASP 98 HA ASP 98 9.314 7.573 0.505 755 HB2 ASP 98 1HB ASP 98 9.502 8.930 3.291 756 HB3 ASP 98 2HB ASP 98 8.497 9.530 2.011 757 HA PRO 99 HA PRO 99 12.532 10.895 -0.341 758 HB2 PRO 99 1HB PRO 99 11.019 13.122 -1.120 759 HB3 PRO 99 2HB PRO 99 11.316 11.697 -2.136 760 HG2 PRO 99 1HG PRO 99 8.861 12.194 -0.338 761 HG3 PRO 99 2HG PRO 99 8.859 11.784 -2.082 762 HD2 PRO 99 1HD PRO 99 8.513 9.838 -0.178 763 HD3 PRO 99 2HD PRO 99 9.515 9.480 -1.619 764 H LYS 100 H LYS 100 10.492 10.996 2.239 765 HA LYS 100 HA LYS 100 12.250 13.073 3.647 766 HB2 LYS 100 1HB LYS 100 9.560 13.209 3.850 767 HB3 LYS 100 2HB LYS 100 9.770 11.871 4.974 768 HG2 LYS 100 1HG LYS 100 11.507 13.378 6.236 769 HG3 LYS 100 2HG LYS 100 11.052 14.686 5.141 770 HD2 LYS 100 1HD LYS 100 8.617 14.403 5.903 771 HD3 LYS 100 2HD LYS 100 9.121 13.169 7.044 772 HE2 LYS 100 1HE LYS 100 10.045 16.138 7.019 773 HE3 LYS 100 2HE LYS 100 8.762 15.484 8.028 774 HZ1 LYS 100 3HZ LYS 100 10.894 15.525 9.316 775 HZ2 LYS 100 1HZ LYS 100 10.496 13.941 9.066 776 HZ3 LYS 100 2HZ LYS 100 11.664 14.636 8.170 777 H ASN 101 H ASN 101 11.869 9.675 3.259 778 HA ASN 101 HA ASN 101 12.234 7.784 4.446 779 HB2 ASN 101 1HB ASN 101 14.535 8.813 4.497 780 HB3 ASN 101 2HB ASN 101 14.278 9.300 6.160 781 HD21 ASN 101 1HD2 ASN 101 14.395 7.629 7.743 782 HD22 ASN 101 2HD2 ASN 101 14.821 5.904 7.269 783 H THR 102 H THR 102 10.931 6.699 5.702 784 HA THR 102 HA THR 102 9.624 8.052 8.103 785 HB THR 102 HB THR 102 8.716 5.951 6.098 786 HG1 THR 102 HG1 THR 102 7.770 7.677 5.393 787 HG21 THR 102 3HG2 THR 102 6.503 5.889 7.291 788 HG22 THR 102 1HG2 THR 102 7.777 4.936 8.078 789 HG23 THR 102 2HG2 THR 102 7.308 6.508 8.741 790 H THR 103 H THR 103 9.117 6.802 9.949 791 HA THR 103 HA THR 103 11.432 5.166 10.903 792 HB THR 103 HB THR 103 9.036 6.392 12.303 793 HG1 THR 103 HG1 THR 103 11.189 7.411 11.308 794 HG21 THR 103 3HG2 THR 103 11.582 5.289 13.638 795 HG22 THR 103 1HG2 THR 103 10.234 6.168 14.405 796 HG23 THR 103 2HG2 THR 103 9.965 4.551 13.732 797 H VAL 104 H VAL 104 10.984 3.127 12.125 798 HA VAL 104 HA VAL 104 9.686 1.172 10.629 799 HB VAL 104 HB VAL 104 9.723 -0.369 12.519 800 HG11 VAL 104 1HG1 VAL 104 11.620 -0.225 10.945 801 HG12 VAL 104 2HG1 VAL 104 12.388 1.062 11.903 802 HG13 VAL 104 3HG1 VAL 104 12.213 -0.577 12.572 803 HG21 VAL 104 3HG2 VAL 104 11.143 1.853 14.151 804 HG22 VAL 104 1HG2 VAL 104 9.555 1.164 14.534 805 HG23 VAL 104 2HG2 VAL 104 10.994 0.140 14.598 806 H ILE 105 H ILE 105 7.655 1.580 10.002 807 HA ILE 105 HA ILE 105 5.421 1.837 11.911 808 HB ILE 105 HB ILE 105 3.966 2.134 10.082 809 HG12 ILE 105 1HG1 ILE 105 5.266 2.619 7.732 810 HG13 ILE 105 2HG1 ILE 105 6.279 1.304 8.249 811 HG21 ILE 105 1HG2 ILE 105 5.218 4.061 11.006 812 HG22 ILE 105 2HG2 ILE 105 6.524 3.823 9.852 813 HG23 ILE 105 3HG2 ILE 105 4.950 4.297 9.264 814 HD11 ILE 105 3HD1 ILE 105 3.270 0.791 8.410 815 HD12 ILE 105 1HD1 ILE 105 4.039 0.982 6.789 816 HD13 ILE 105 2HD1 ILE 105 4.595 -0.276 7.911 817 H VAL 106 H VAL 106 6.136 -0.148 12.875 818 HA VAL 106 HA VAL 106 5.599 -2.709 12.025 819 HB VAL 106 HB VAL 106 5.399 -3.584 14.237 820 HG11 VAL 106 1HG1 VAL 106 7.673 -2.558 13.661 821 HG12 VAL 106 2HG1 VAL 106 7.202 -1.084 14.516 822 HG13 VAL 106 3HG1 VAL 106 7.335 -2.613 15.401 823 HG21 VAL 106 3HG2 VAL 106 5.113 -2.100 16.311 824 HG22 VAL 106 1HG2 VAL 106 4.631 -0.776 15.207 825 HG23 VAL 106 2HG2 VAL 106 3.651 -2.247 15.331 826 H ARG 107 H ARG 107 3.991 -4.213 11.994 827 HA ARG 107 HA ARG 107 1.062 -3.237 12.041 828 HB2 ARG 107 1HB ARG 107 2.267 -4.949 9.793 829 HB3 ARG 107 2HB ARG 107 0.586 -4.476 9.998 830 HG2 ARG 107 1HG ARG 107 1.556 -1.957 9.899 831 HG3 ARG 107 2HG ARG 107 3.010 -2.721 9.293 832 HD2 ARG 107 1HD ARG 107 1.581 -3.846 7.455 833 HD3 ARG 107 2HD ARG 107 0.172 -2.933 8.055 834 HE ARG 107 HE ARG 107 2.273 -0.989 7.631 835 HH11 ARG 107 1HH1 ARG 107 0.486 -3.197 5.615 836 HH12 ARG 107 2HH1 ARG 107 0.986 -2.283 4.104 837 HH21 ARG 107 1HH2 ARG 107 2.740 0.034 5.881 838 HH22 ARG 107 2HH2 ARG 107 2.204 -0.615 4.271 839 H GLU 108 H GLU 108 0.592 -4.335 13.942 840 HA GLU 108 HA GLU 108 1.389 -7.293 14.222 841 HB2 GLU 108 1HB GLU 108 0.735 -5.052 16.259 842 HB3 GLU 108 2HB GLU 108 0.938 -6.720 16.739 843 HG2 GLU 108 1HG GLU 108 3.244 -6.827 16.050 844 HG3 GLU 108 2HG GLU 108 3.174 -5.301 15.179 845 H VAL 109 H VAL 109 -0.204 -8.512 15.751 846 HA VAL 109 HA VAL 109 -3.025 -7.534 15.498 847 HB VAL 109 HB VAL 109 -3.014 -8.943 13.645 848 HG11 VAL 109 1HG1 VAL 109 -2.650 -11.368 13.575 849 HG12 VAL 109 2HG1 VAL 109 -1.208 -10.561 14.188 850 HG13 VAL 109 3HG1 VAL 109 -2.274 -11.413 15.325 851 HG21 VAL 109 3HG2 VAL 109 -4.700 -10.366 15.753 852 HG22 VAL 109 1HG2 VAL 109 -5.109 -8.833 14.955 853 HG23 VAL 109 2HG2 VAL 109 -4.970 -10.305 13.996 854 H ASP 110 H ASP 110 -3.984 -7.487 17.299 855 HA ASP 110 HA ASP 110 -2.958 -9.099 19.659 856 HB2 ASP 110 1HB ASP 110 -4.302 -6.359 19.243 857 HB3 ASP 110 2HB ASP 110 -4.212 -7.032 20.827 858 H GLY 111 H GLY 111 -4.592 -10.517 18.032 859 HA2 GLY 111 1HA GLY 111 -6.346 -12.229 18.529 860 HA3 GLY 111 2HA GLY 111 -6.928 -11.238 19.848 861 H ASP 112 H ASP 112 -6.777 -11.459 16.364 862 HA ASP 112 HA ASP 112 -7.852 -10.315 14.604 863 HB2 ASP 112 1HB ASP 112 -10.281 -10.963 16.368 864 HB3 ASP 112 2HB ASP 112 -10.423 -10.342 14.728 865 H THR 113 H THR 113 -6.850 -8.451 16.511 866 HA THR 113 HA THR 113 -8.202 -6.009 15.460 867 HB THR 113 HB THR 113 -8.946 -6.041 17.744 868 HG1 THR 113 HG1 THR 113 -7.277 -3.855 17.701 869 HG21 THR 113 3HG2 THR 113 -7.614 -5.343 19.632 870 HG22 THR 113 1HG2 THR 113 -6.994 -6.903 19.073 871 HG23 THR 113 2HG2 THR 113 -6.090 -5.416 18.732 872 H MET 114 H MET 114 -6.827 -6.171 13.936 873 HA MET 114 HA MET 114 -3.934 -6.400 13.965 874 HB2 MET 114 1HB MET 114 -5.950 -5.464 11.934 875 HB3 MET 114 2HB MET 114 -4.300 -4.967 11.676 876 HG2 MET 114 1HG MET 114 -5.197 -7.894 12.057 877 HG3 MET 114 2HG MET 114 -4.905 -7.100 10.516 878 HE1 MET 114 3HE MET 114 -1.505 -5.576 11.662 879 HE2 MET 114 1HE MET 114 -1.155 -6.604 10.252 880 HE3 MET 114 2HE MET 114 -2.615 -5.577 10.271 881 H LYS 115 H LYS 115 -2.940 -5.222 15.358 882 HA LYS 115 HA LYS 115 -3.490 -2.265 15.845 883 HB2 LYS 115 1HB LYS 115 -3.339 -3.871 17.715 884 HB3 LYS 115 2HB LYS 115 -1.734 -4.380 17.251 885 HG2 LYS 115 1HG LYS 115 -1.983 -1.399 17.703 886 HG3 LYS 115 2HG LYS 115 -2.434 -2.338 19.095 887 HD2 LYS 115 1HD LYS 115 0.226 -2.970 17.642 888 HD3 LYS 115 2HD LYS 115 0.079 -1.522 18.574 889 HE2 LYS 115 1HE LYS 115 0.868 -2.751 20.289 890 HE3 LYS 115 2HE LYS 115 -0.822 -3.171 20.553 891 HZ1 LYS 115 3HZ LYS 115 0.522 -5.208 20.485 892 HZ2 LYS 115 1HZ LYS 115 -0.460 -5.275 19.218 893 HZ3 LYS 115 2HZ LYS 115 1.211 -4.861 19.005 894 H THR 116 H THR 116 -2.589 -1.120 14.098 895 HA THR 116 HA THR 116 0.302 -1.756 13.370 896 HB THR 116 HB THR 116 0.053 -1.215 11.251 897 HG1 THR 116 HG1 THR 116 -1.363 0.689 11.900 898 HG21 THR 116 3HG2 THR 116 -1.266 -3.332 11.576 899 HG22 THR 116 1HG2 THR 116 -2.757 -2.384 11.673 900 HG23 THR 116 2HG2 THR 116 -1.815 -2.392 10.168 901 H THR 117 H THR 117 1.185 -0.562 14.917 902 HA THR 117 HA THR 117 0.537 2.187 15.550 903 HB THR 117 HB THR 117 3.128 0.595 16.049 904 HG1 THR 117 HG1 THR 117 2.143 0.044 18.017 905 HG21 THR 117 3HG2 THR 117 1.825 2.824 17.763 906 HG22 THR 117 1HG2 THR 117 3.298 1.919 18.183 907 HG23 THR 117 2HG2 THR 117 3.307 3.017 16.797 908 H VAL 118 H VAL 118 0.652 3.606 13.800 909 HA VAL 118 HA VAL 118 3.176 3.556 12.131 910 HB VAL 118 HB VAL 118 1.094 3.470 11.038 911 HG11 VAL 118 1HG1 VAL 118 -0.325 5.080 12.224 912 HG12 VAL 118 2HG1 VAL 118 0.684 6.453 11.674 913 HG13 VAL 118 3HG1 VAL 118 -0.214 5.491 10.496 914 HG21 VAL 118 3HG2 VAL 118 1.820 5.528 9.342 915 HG22 VAL 118 1HG2 VAL 118 3.252 5.495 10.400 916 HG23 VAL 118 2HG2 VAL 118 2.741 4.038 9.513 917 H THR 119 H THR 119 4.743 4.268 13.389 918 HA THR 119 HA THR 119 4.688 7.150 14.324 919 HB THR 119 HB THR 119 5.312 5.694 16.091 920 HG1 THR 119 HG1 THR 119 7.624 6.402 16.258 921 HG21 THR 119 3HG2 THR 119 6.235 3.674 14.885 922 HG22 THR 119 1HG2 THR 119 7.650 4.605 14.384 923 HG23 THR 119 2HG2 THR 119 7.356 4.263 16.118 924 H VAL 120 H VAL 120 5.939 8.597 13.461 925 HA VAL 120 HA VAL 120 7.987 7.940 11.244 926 HB VAL 120 HB VAL 120 5.701 9.944 10.790 927 HG11 VAL 120 1HG1 VAL 120 7.722 10.316 9.408 928 HG12 VAL 120 2HG1 VAL 120 7.775 8.620 8.945 929 HG13 VAL 120 3HG1 VAL 120 6.465 9.614 8.359 930 HG21 VAL 120 3HG2 VAL 120 5.731 6.956 10.097 931 HG22 VAL 120 1HG2 VAL 120 4.541 7.876 11.012 932 HG23 VAL 120 2HG2 VAL 120 4.689 8.146 9.248 933 H GLY 121 H GLY 121 9.502 8.641 12.732 934 HA2 GLY 121 1HA GLY 121 10.882 10.190 13.941 935 HA3 GLY 121 2HA GLY 121 10.050 11.529 13.182 936 H ASP 122 H ASP 122 7.588 11.232 14.012 937 HA ASP 122 HA ASP 122 7.405 11.525 16.996 938 HB2 ASP 122 1HB ASP 122 7.207 14.005 17.026 939 HB3 ASP 122 2HB ASP 122 8.797 13.447 16.556 940 H VAL 123 H VAL 123 5.729 9.951 15.927 941 HA VAL 123 HA VAL 123 3.090 11.453 16.149 942 HB VAL 123 HB VAL 123 3.617 9.396 13.887 943 HG11 VAL 123 1HG1 VAL 123 0.999 10.980 14.450 944 HG12 VAL 123 2HG1 VAL 123 1.274 9.700 13.238 945 HG13 VAL 123 3HG1 VAL 123 1.217 9.292 14.935 946 HG21 VAL 123 3HG2 VAL 123 3.048 12.439 13.796 947 HG22 VAL 123 1HG2 VAL 123 4.486 11.581 13.198 948 HG23 VAL 123 2HG2 VAL 123 2.915 11.371 12.388 949 H THR 124 H THR 124 4.285 8.157 15.789 950 HA THR 124 HA THR 124 3.296 6.129 16.406 951 HB THR 124 HB THR 124 3.156 7.515 19.126 952 HG1 THR 124 HG1 THR 124 5.175 7.571 18.185 953 HG21 THR 124 3HG2 THR 124 3.471 5.310 20.167 954 HG22 THR 124 1HG2 THR 124 2.018 5.184 19.165 955 HG23 THR 124 2HG2 THR 124 3.564 4.503 18.600 956 H ALA 125 H ALA 125 1.518 6.421 14.956 957 HA ALA 125 HA ALA 125 -1.124 7.110 16.330 958 HB1 ALA 125 3HB ALA 125 -0.763 8.275 14.208 959 HB2 ALA 125 1HB ALA 125 -0.660 6.790 13.312 960 HB3 ALA 125 2HB ALA 125 -2.155 7.182 14.118 961 H ILE 126 H ILE 126 -1.357 5.428 17.577 962 HA ILE 126 HA ILE 126 -1.146 2.677 16.948 963 HB ILE 126 HB ILE 126 -0.990 3.738 19.132 964 HG12 ILE 126 1HG1 ILE 126 -2.238 1.958 20.509 965 HG13 ILE 126 2HG1 ILE 126 -2.901 1.328 19.007 966 HG21 ILE 126 1HG2 ILE 126 -4.064 3.887 19.321 967 HG22 ILE 126 2HG2 ILE 126 -2.896 4.155 20.629 968 HG23 ILE 126 3HG2 ILE 126 -2.926 5.259 19.263 969 HD11 ILE 126 3HD1 ILE 126 -0.730 0.216 19.833 970 HD12 ILE 126 1HD1 ILE 126 -0.598 0.851 18.172 971 HD13 ILE 126 2HD1 ILE 126 0.139 1.735 19.532 972 H ARG 127 H ARG 127 -2.101 2.432 14.926 973 HA ARG 127 HA ARG 127 -4.994 2.821 14.579 974 HB2 ARG 127 1HB ARG 127 -3.111 1.411 12.645 975 HB3 ARG 127 2HB ARG 127 -4.772 1.845 12.315 976 HG2 ARG 127 1HG ARG 127 -4.394 4.099 12.055 977 HG3 ARG 127 2HG ARG 127 -3.058 4.157 13.194 978 HD2 ARG 127 1HD ARG 127 -2.201 4.585 11.030 979 HD3 ARG 127 2HD ARG 127 -1.505 3.083 11.647 980 HE ARG 127 HE ARG 127 -3.837 2.547 9.866 981 HH11 ARG 127 1HH1 ARG 127 -0.478 3.438 9.720 982 HH12 ARG 127 2HH1 ARG 127 -0.277 2.649 8.081 983 HH21 ARG 127 1HH2 ARG 127 -3.575 1.667 8.094 984 HH22 ARG 127 2HH2 ARG 127 -1.973 1.672 7.200 985 H ASN 128 H ASN 128 -6.527 1.430 15.211 986 HA ASN 128 HA ASN 128 -5.941 -1.581 15.319 987 HB2 ASN 128 1HB ASN 128 -8.083 0.161 16.682 988 HB3 ASN 128 2HB ASN 128 -8.296 -1.561 16.505 989 HD21 ASN 128 1HD2 ASN 128 -6.497 0.825 18.279 990 HD22 ASN 128 2HD2 ASN 128 -5.753 -0.438 19.390 991 H TYR 129 H TYR 129 -6.704 -2.810 13.797 992 HA TYR 129 HA TYR 129 -9.185 -2.062 12.164 993 HB2 TYR 129 1HB TYR 129 -6.628 -3.562 11.217 994 HB3 TYR 129 2HB TYR 129 -8.070 -3.355 10.262 995 HD1 TYR 129 HD1 TYR 129 -5.088 -1.584 11.660 996 HD2 TYR 129 HD2 TYR 129 -8.426 -1.334 8.958 997 HE1 TYR 129 HE1 TYR 129 -4.110 0.393 10.613 998 HE2 TYR 129 HE2 TYR 129 -7.497 0.688 7.974 999 HH TYR 129 HH TYR 129 -6.040 2.336 8.344 1000 H LYS 130 H LYS 130 -10.556 -3.781 11.610 1001 HA LYS 130 HA LYS 130 -10.256 -6.250 13.388 1002 HB2 LYS 130 1HB LYS 130 -12.719 -5.358 11.796 1003 HB3 LYS 130 2HB LYS 130 -12.598 -6.817 12.757 1004 HG2 LYS 130 1HG LYS 130 -12.601 -3.912 13.714 1005 HG3 LYS 130 2HG LYS 130 -13.806 -5.136 14.015 1006 HD2 LYS 130 1HD LYS 130 -10.957 -4.973 15.188 1007 HD3 LYS 130 2HD LYS 130 -12.416 -4.542 16.019 1008 HE2 LYS 130 1HE LYS 130 -11.809 -7.435 15.042 1009 HE3 LYS 130 2HE LYS 130 -11.275 -6.810 16.588 1010 HZ1 LYS 130 3HZ LYS 130 -13.456 -7.968 16.820 1011 HZ2 LYS 130 1HZ LYS 130 -13.652 -6.380 17.200 1012 HZ3 LYS 130 2HZ LYS 130 -14.177 -6.943 15.752 1013 H ARG 131 H ARG 131 -9.588 -8.071 12.638 1014 HA ARG 131 HA ARG 131 -8.583 -8.347 9.885 1015 HB2 ARG 131 1HB ARG 131 -7.512 -9.243 12.044 1016 HB3 ARG 131 2HB ARG 131 -8.804 -10.422 12.154 1017 HG2 ARG 131 1HG ARG 131 -7.858 -10.947 9.556 1018 HG3 ARG 131 2HG ARG 131 -6.405 -10.301 10.269 1019 HD2 ARG 131 1HD ARG 131 -8.142 -12.584 11.476 1020 HD3 ARG 131 2HD ARG 131 -6.854 -12.879 10.331 1021 HE ARG 131 HE ARG 131 -5.230 -11.759 12.068 1022 HH11 ARG 131 1HH1 ARG 131 -8.047 -13.365 13.358 1023 HH12 ARG 131 2HH1 ARG 131 -7.024 -14.421 14.412 1024 HH21 ARG 131 1HH2 ARG 131 -4.142 -12.844 13.458 1025 HH22 ARG 131 2HH2 ARG 131 -4.967 -14.049 14.541 1026 H LEU 132 H LEU 132 -9.771 -8.836 8.185 1027 HA LEU 132 HA LEU 132 -12.058 -10.858 8.395 1028 HB2 LEU 132 1HB LEU 132 -11.581 -8.663 6.322 1029 HB3 LEU 132 2HB LEU 132 -12.935 -9.796 6.342 1030 HG LEU 132 HG LEU 132 -12.304 -7.519 8.298 1031 HD11 LEU 132 1HD1 LEU 132 -14.525 -6.661 7.384 1032 HD12 LEU 132 2HD1 LEU 132 -13.339 -6.916 6.089 1033 HD13 LEU 132 3HD1 LEU 132 -14.650 -8.094 6.345 1034 HD21 LEU 132 3HD2 LEU 132 -13.246 -9.279 9.730 1035 HD22 LEU 132 1HD2 LEU 132 -14.491 -8.055 9.468 1036 HD23 LEU 132 2HD2 LEU 132 -14.579 -9.602 8.590 1037 H SER 133 H SER 133 -11.896 -12.628 7.313 1038 HA SER 133 HA SER 133 -10.125 -13.055 4.913 1039 HB2 SER 133 1HB SER 133 -8.742 -14.876 5.839 1040 HB3 SER 133 2HB SER 133 -8.437 -13.369 6.692 1041 HG SER 133 HG SER 133 -9.835 -14.114 8.362 1042 HXT SER 133 HXT SER 133 -11.677 -15.345 6.254 Start of MODEL 3 1 H1 MET 1 1H MET 1 2.535 -15.109 7.585 2 H2 MET 1 2H MET 1 3.409 -14.047 6.707 3 HA MET 1 HA MET 1 2.006 -14.330 4.798 4 HB2 MET 1 1HB MET 1 2.871 -16.422 4.002 5 HB3 MET 1 2HB MET 1 4.075 -15.419 4.781 6 HG2 MET 1 1HG MET 1 3.947 -16.937 6.860 7 HG3 MET 1 2HG MET 1 2.824 -17.978 5.980 8 HE1 MET 1 3HE MET 1 5.601 -18.934 7.217 9 HE2 MET 1 1HE MET 1 4.461 -20.006 6.359 10 HE3 MET 1 2HE MET 1 6.188 -19.997 5.903 11 H SER 2 H SER 2 1.120 -17.060 7.072 12 HA SER 2 HA SER 2 -1.481 -17.254 5.556 13 HB2 SER 2 1HB SER 2 -0.155 -19.299 6.073 14 HB3 SER 2 2HB SER 2 -0.391 -19.051 7.804 15 HG SER 2 HG SER 2 -2.634 -19.247 7.470 16 H SER 3 H SER 3 -0.650 -16.888 9.059 17 HA SER 3 HA SER 3 -3.201 -16.254 10.105 18 HB2 SER 3 1HB SER 3 -0.531 -14.912 10.886 19 HB3 SER 3 2HB SER 3 -1.992 -14.960 11.881 20 HG SER 3 HG SER 3 -0.349 -17.186 11.024 21 H PHE 4 H PHE 4 -1.276 -13.980 8.257 22 HA PHE 4 HA PHE 4 -3.165 -11.673 8.640 23 HB2 PHE 4 1HB PHE 4 -0.701 -12.149 6.852 24 HB3 PHE 4 2HB PHE 4 -1.629 -10.687 6.758 25 HD1 PHE 4 HD1 PHE 4 -2.099 -9.471 9.174 26 HD2 PHE 4 HD2 PHE 4 1.260 -11.987 8.232 27 HE1 PHE 4 HE1 PHE 4 -0.756 -8.320 10.889 28 HE2 PHE 4 HE2 PHE 4 2.595 -10.830 9.933 29 HZ PHE 4 HZ PHE 4 1.608 -8.985 11.260 30 H LEU 5 H LEU 5 -3.559 -14.406 6.533 31 HA LEU 5 HA LEU 5 -4.146 -13.080 4.036 32 HB2 LEU 5 1HB LEU 5 -5.110 -15.773 5.116 33 HB3 LEU 5 2HB LEU 5 -5.463 -15.211 3.491 34 HG LEU 5 HG LEU 5 -2.604 -15.478 4.569 35 HD11 LEU 5 1HD1 LEU 5 -4.234 -17.473 2.844 36 HD12 LEU 5 2HD1 LEU 5 -2.516 -17.633 3.278 37 HD13 LEU 5 3HD1 LEU 5 -3.752 -17.713 4.542 38 HD21 LEU 5 3HD2 LEU 5 -1.940 -15.473 2.158 39 HD22 LEU 5 1HD2 LEU 5 -3.628 -15.195 1.663 40 HD23 LEU 5 2HD2 LEU 5 -2.730 -13.954 2.570 41 H GLY 6 H GLY 6 -5.761 -11.860 3.391 42 HA2 GLY 6 1HA GLY 6 -8.406 -12.067 3.147 43 HA3 GLY 6 2HA GLY 6 -8.411 -11.725 4.888 44 H LYS 7 H LYS 7 -9.841 -10.074 3.815 45 HA LYS 7 HA LYS 7 -8.377 -7.620 2.855 46 HB2 LYS 7 1HB LYS 7 -10.491 -6.450 2.596 47 HB3 LYS 7 2HB LYS 7 -10.192 -7.726 1.479 48 HG2 LYS 7 1HG LYS 7 -11.964 -8.298 3.929 49 HG3 LYS 7 2HG LYS 7 -12.585 -7.320 2.609 50 HD2 LYS 7 1HD LYS 7 -12.134 -9.086 0.936 51 HD3 LYS 7 2HD LYS 7 -11.398 -10.144 2.116 52 HE2 LYS 7 1HE LYS 7 -14.330 -9.143 2.337 53 HE3 LYS 7 2HE LYS 7 -13.884 -10.582 1.422 54 HZ1 LYS 7 3HZ LYS 7 -14.430 -10.723 4.087 55 HZ2 LYS 7 1HZ LYS 7 -13.390 -11.785 3.380 56 HZ3 LYS 7 2HZ LYS 7 -12.782 -10.508 4.158 57 H TRP 8 H TRP 8 -8.000 -5.863 4.168 58 HA TRP 8 HA TRP 8 -8.664 -6.307 7.105 59 HB2 TRP 8 1HB TRP 8 -6.336 -4.695 5.866 60 HB3 TRP 8 2HB TRP 8 -6.705 -4.803 7.578 61 HD1 TRP 8 HD1 TRP 8 -6.682 -8.336 5.930 62 HE1 TRP 8 HE1 TRP 8 -4.360 -9.513 6.182 63 HE3 TRP 8 HE3 TRP 8 -4.156 -4.280 7.839 64 HZ2 TRP 8 HZ2 TRP 8 -1.746 -8.511 6.693 65 HZ3 TRP 8 HZ3 TRP 8 -1.700 -4.455 8.098 66 HH2 TRP 8 HH2 TRP 8 -0.521 -6.549 7.501 67 H LYS 9 H LYS 9 -9.956 -4.792 7.933 68 HA LYS 9 HA LYS 9 -10.410 -2.199 6.344 69 HB2 LYS 9 1HB LYS 9 -12.380 -3.672 8.203 70 HB3 LYS 9 2HB LYS 9 -12.668 -2.111 7.466 71 HG2 LYS 9 1HG LYS 9 -12.360 -4.820 6.040 72 HG3 LYS 9 2HG LYS 9 -13.843 -3.927 6.288 73 HD2 LYS 9 1HD LYS 9 -11.491 -3.140 4.450 74 HD3 LYS 9 2HD LYS 9 -13.041 -3.813 3.962 75 HE2 LYS 9 1HE LYS 9 -14.192 -1.706 4.978 76 HE3 LYS 9 2HE LYS 9 -12.583 -1.053 5.282 77 HZ1 LYS 9 3HZ LYS 9 -13.460 -0.275 3.078 78 HZ2 LYS 9 1HZ LYS 9 -12.124 -1.179 2.793 79 HZ3 LYS 9 2HZ LYS 9 -13.608 -1.815 2.537 80 H LEU 10 H LEU 10 -9.352 -0.593 7.328 81 HA LEU 10 HA LEU 10 -8.251 -0.558 9.897 82 HB2 LEU 10 1HB LEU 10 -7.571 0.840 8.080 83 HB3 LEU 10 2HB LEU 10 -9.030 1.786 8.121 84 HG LEU 10 HG LEU 10 -7.553 1.727 10.765 85 HD11 LEU 10 1HD1 LEU 10 -5.779 3.286 10.109 86 HD12 LEU 10 2HD1 LEU 10 -5.577 1.761 9.242 87 HD13 LEU 10 3HD1 LEU 10 -6.220 3.185 8.395 88 HD21 LEU 10 3HD2 LEU 10 -8.021 4.168 10.661 89 HD22 LEU 10 1HD2 LEU 10 -8.659 4.035 9.016 90 HD23 LEU 10 2HD2 LEU 10 -9.507 3.253 10.371 91 H SER 11 H SER 11 -8.940 -0.244 11.907 92 HA SER 11 HA SER 11 -11.904 -0.136 12.352 93 HB2 SER 11 1HB SER 11 -10.492 -2.010 13.316 94 HB3 SER 11 2HB SER 11 -9.771 -0.845 14.421 95 HG SER 11 HG SER 11 -12.015 -0.315 15.031 96 H GLU 12 H GLU 12 -9.028 1.680 13.239 97 HA GLU 12 HA GLU 12 -10.719 4.040 13.833 98 HB2 GLU 12 1HB GLU 12 -9.677 4.750 15.920 99 HB3 GLU 12 2HB GLU 12 -10.656 3.318 16.113 100 HG2 GLU 12 1HG GLU 12 -8.864 1.919 16.658 101 HG3 GLU 12 2HG GLU 12 -7.702 2.788 15.673 102 H SER 13 H SER 13 -9.838 5.830 13.091 103 HA SER 13 HA SER 13 -6.925 5.822 12.135 104 HB2 SER 13 1HB SER 13 -8.687 6.356 10.431 105 HB3 SER 13 2HB SER 13 -9.229 7.742 11.392 106 HG SER 13 HG SER 13 -7.582 8.073 9.609 107 H HIS 14 H HIS 14 -6.122 6.036 14.237 108 HA HIS 14 HA HIS 14 -7.116 8.062 16.096 109 HB2 HIS 14 1HB HIS 14 -6.224 5.766 16.634 110 HB3 HIS 14 2HB HIS 14 -4.593 6.344 16.373 111 HD1 HIS 14 HD1 HIS 14 -4.247 8.904 18.094 112 HD2 HIS 14 HD2 HIS 14 -6.882 5.659 19.163 113 HE1 HIS 14 HE1 HIS 14 -4.659 8.899 20.627 114 HE2 HIS 14 HE2 HIS 14 -6.273 7.005 21.369 115 H ASN 15 H ASN 15 -3.788 7.949 14.814 116 HA ASN 15 HA ASN 15 -3.961 10.992 14.576 117 HB2 ASN 15 1HB ASN 15 -1.304 9.579 15.122 118 HB3 ASN 15 2HB ASN 15 -1.627 11.295 15.010 119 HD21 ASN 15 1HD2 ASN 15 -0.138 10.565 17.021 120 HD22 ASN 15 2HD2 ASN 15 -1.131 10.640 18.558 121 H PHE 16 H PHE 16 -4.492 8.666 12.663 122 HA PHE 16 HA PHE 16 -2.296 8.769 10.690 123 HB2 PHE 16 1HB PHE 16 -3.495 6.744 11.348 124 HB3 PHE 16 2HB PHE 16 -5.032 7.392 10.843 125 HD1 PHE 16 HD1 PHE 16 -1.611 6.772 9.386 126 HD2 PHE 16 HD2 PHE 16 -5.854 6.580 8.772 127 HE1 PHE 16 HE1 PHE 16 -1.255 5.749 7.127 128 HE2 PHE 16 HE2 PHE 16 -5.514 5.552 6.576 129 HZ PHE 16 HZ PHE 16 -3.238 5.095 5.745 130 H ASP 17 H ASP 17 -2.861 11.222 10.814 131 HA ASP 17 HA ASP 17 -3.813 12.007 8.071 132 HB2 ASP 17 1HB ASP 17 -5.424 13.536 8.817 133 HB3 ASP 17 2HB ASP 17 -5.765 12.035 9.604 134 H ALA 18 H ALA 18 -2.444 13.375 11.064 135 HA ALA 18 HA ALA 18 -0.884 15.492 9.621 136 HB1 ALA 18 3HB ALA 18 -1.702 15.690 12.089 137 HB2 ALA 18 1HB ALA 18 -0.399 14.536 12.508 138 HB3 ALA 18 2HB ALA 18 -0.002 16.108 11.802 139 H VAL 19 H VAL 19 -0.288 12.283 10.602 140 HA VAL 19 HA VAL 19 2.592 11.998 10.353 141 HB VAL 19 HB VAL 19 0.880 10.357 11.260 142 HG11 VAL 19 1HG1 VAL 19 -0.126 8.646 9.909 143 HG12 VAL 19 2HG1 VAL 19 -0.704 10.231 9.344 144 HG13 VAL 19 3HG1 VAL 19 0.505 9.326 8.395 145 HG21 VAL 19 3HG2 VAL 19 3.205 9.740 11.121 146 HG22 VAL 19 1HG2 VAL 19 2.237 8.350 10.655 147 HG23 VAL 19 2HG2 VAL 19 3.074 9.287 9.395 148 H MET 20 H MET 20 0.128 12.085 7.897 149 HA MET 20 HA MET 20 2.074 11.666 5.637 150 HB2 MET 20 1HB MET 20 -0.912 12.416 5.416 151 HB3 MET 20 2HB MET 20 0.162 11.909 4.112 152 HG2 MET 20 1HG MET 20 0.261 9.584 5.039 153 HG3 MET 20 2HG MET 20 -0.771 10.078 6.398 154 HE1 MET 20 3HE MET 20 -2.151 7.844 5.119 155 HE2 MET 20 1HE MET 20 -3.046 8.980 6.171 156 HE3 MET 20 2HE MET 20 -3.739 8.481 4.604 157 H SER 21 H SER 21 0.028 14.311 6.966 158 HA SER 21 HA SER 21 0.888 16.351 5.061 159 HB2 SER 21 1HB SER 21 -1.166 16.407 6.583 160 HB3 SER 21 2HB SER 21 -0.115 16.868 7.925 161 HG SER 21 HG SER 21 0.608 18.634 6.480 162 H LYS 22 H LYS 22 2.366 15.418 8.184 163 HA LYS 22 HA LYS 22 4.494 17.444 7.999 164 HB2 LYS 22 1HB LYS 22 5.326 16.655 9.891 165 HB3 LYS 22 2HB LYS 22 3.682 16.060 10.065 166 HG2 LYS 22 1HG LYS 22 4.228 13.818 9.805 167 HG3 LYS 22 2HG LYS 22 5.710 14.063 8.926 168 HD2 LYS 22 1HD LYS 22 5.375 14.859 11.896 169 HD3 LYS 22 2HD LYS 22 5.927 13.293 11.332 170 HE2 LYS 22 1HE LYS 22 7.853 14.506 10.052 171 HE3 LYS 22 2HE LYS 22 7.355 15.996 10.860 172 HZ1 LYS 22 3HZ LYS 22 7.654 14.700 13.118 173 HZ2 LYS 22 1HZ LYS 22 8.278 13.459 12.278 174 HZ3 LYS 22 2HZ LYS 22 9.041 14.911 12.318 175 H LEU 23 H LEU 23 4.061 14.521 6.261 176 HA LEU 23 HA LEU 23 6.877 14.402 5.226 177 HB2 LEU 23 1HB LEU 23 5.167 12.366 5.448 178 HB3 LEU 23 2HB LEU 23 4.407 13.027 4.034 179 HG LEU 23 HG LEU 23 7.077 13.016 3.177 180 HD11 LEU 23 1HD1 LEU 23 8.141 10.915 3.924 181 HD12 LEU 23 2HD1 LEU 23 7.809 11.899 5.356 182 HD13 LEU 23 3HD1 LEU 23 6.768 10.508 4.970 183 HD21 LEU 23 3HD2 LEU 23 6.475 11.049 1.844 184 HD22 LEU 23 1HD2 LEU 23 5.174 10.588 2.960 185 HD23 LEU 23 2HD2 LEU 23 5.042 12.065 1.974 186 H GLY 24 H GLY 24 3.652 15.480 4.071 187 HA2 GLY 24 1HA GLY 24 3.934 17.877 3.067 188 HA3 GLY 24 2HA GLY 24 5.022 17.166 1.890 189 H VAL 25 H VAL 25 1.744 16.585 3.080 190 HA VAL 25 HA VAL 25 0.801 15.475 0.582 191 HB VAL 25 HB VAL 25 -0.563 16.288 3.197 192 HG11 VAL 25 1HG1 VAL 25 -2.005 15.047 0.764 193 HG12 VAL 25 2HG1 VAL 25 -2.586 14.998 2.450 194 HG13 VAL 25 3HG1 VAL 25 -2.427 16.549 1.624 195 HG21 VAL 25 3HG2 VAL 25 -0.760 13.820 3.411 196 HG22 VAL 25 1HG2 VAL 25 -0.129 13.562 1.759 197 HG23 VAL 25 2HG2 VAL 25 0.937 14.186 3.010 198 H SER 26 H SER 26 -0.019 16.229 -1.143 199 HA SER 26 HA SER 26 -0.656 19.018 -1.695 200 HB2 SER 26 1HB SER 26 -1.345 16.478 -3.315 201 HB3 SER 26 2HB SER 26 -1.341 18.121 -3.939 202 HG SER 26 HG SER 26 0.891 16.582 -2.948 203 H TRP 27 H TRP 27 -2.272 18.485 0.370 204 HA TRP 27 HA TRP 27 -4.463 18.010 1.234 205 HB2 TRP 27 1HB TRP 27 -4.503 20.561 -0.433 206 HB3 TRP 27 2HB TRP 27 -5.925 20.120 0.502 207 HD1 TRP 27 HD1 TRP 27 -2.211 21.267 1.119 208 HE1 TRP 27 HE1 TRP 27 -1.747 21.698 3.669 209 HE3 TRP 27 HE3 TRP 27 -6.686 19.462 2.868 210 HZ2 TRP 27 HZ2 TRP 27 -3.217 21.175 6.051 211 HZ3 TRP 27 HZ3 TRP 27 -7.052 19.370 5.314 212 HH2 TRP 27 HH2 TRP 27 -5.356 20.213 6.884 213 H ALA 28 H ALA 28 -4.290 16.229 -1.006 214 HA ALA 28 HA ALA 28 -7.289 15.730 -1.220 215 HB1 ALA 28 3HB ALA 28 -4.941 14.483 -2.806 216 HB2 ALA 28 1HB ALA 28 -6.669 14.176 -3.075 217 HB3 ALA 28 2HB ALA 28 -6.009 15.795 -3.356 218 H THR 29 H THR 29 -4.297 14.029 -0.318 219 HA THR 29 HA THR 29 -5.718 11.677 0.874 220 HB THR 29 HB THR 29 -3.651 10.845 1.675 221 HG1 THR 29 HG1 THR 29 -1.708 12.158 1.254 222 HG21 THR 29 3HG2 THR 29 -2.908 12.169 -1.002 223 HG22 THR 29 1HG2 THR 29 -2.137 10.747 -0.264 224 HG23 THR 29 2HG2 THR 29 -3.828 10.652 -0.831 225 H ARG 30 H ARG 30 -5.106 14.741 1.999 226 HA ARG 30 HA ARG 30 -4.927 14.250 4.927 227 HB2 ARG 30 1HB ARG 30 -4.777 16.623 3.084 228 HB3 ARG 30 2HB ARG 30 -5.848 16.974 4.376 229 HG2 ARG 30 1HG ARG 30 -2.907 16.150 4.627 230 HG3 ARG 30 2HG ARG 30 -3.596 17.736 4.797 231 HD2 ARG 30 1HD ARG 30 -3.449 15.479 6.755 232 HD3 ARG 30 2HD ARG 30 -3.224 17.220 6.979 233 HE ARG 30 HE ARG 30 -6.079 16.353 6.555 234 HH11 ARG 30 1HH1 ARG 30 -3.643 16.665 9.040 235 HH12 ARG 30 2HH1 ARG 30 -4.865 15.978 10.245 236 HH21 ARG 30 1HH2 ARG 30 -7.317 15.650 8.024 237 HH22 ARG 30 2HH2 ARG 30 -6.675 15.555 9.732 238 H GLN 31 H GLN 31 -7.402 13.968 2.787 239 HA GLN 31 HA GLN 31 -9.625 14.472 4.830 240 HB2 GLN 31 1HB GLN 31 -9.796 13.944 1.783 241 HB3 GLN 31 2HB GLN 31 -11.173 13.991 2.865 242 HG2 GLN 31 1HG GLN 31 -11.348 16.102 2.099 243 HG3 GLN 31 2HG GLN 31 -10.344 16.478 3.477 244 HE21 GLN 31 1HE2 GLN 31 -8.179 17.184 2.992 245 HE22 GLN 31 2HE2 GLN 31 -7.722 17.560 1.230 246 H ILE 32 H ILE 32 -8.201 11.970 2.709 247 HA ILE 32 HA ILE 32 -10.310 9.942 3.451 248 HB ILE 32 HB ILE 32 -8.234 10.213 1.278 249 HG12 ILE 32 1HG1 ILE 32 -10.128 9.366 -0.138 250 HG13 ILE 32 2HG1 ILE 32 -11.139 9.148 1.274 251 HG21 ILE 32 1HG2 ILE 32 -8.268 7.987 0.482 252 HG22 ILE 32 2HG2 ILE 32 -7.728 7.839 2.154 253 HG23 ILE 32 3HG2 ILE 32 -9.394 7.396 1.708 254 HD11 ILE 32 3HD1 ILE 32 -11.577 11.261 -0.108 255 HD12 ILE 32 1HD1 ILE 32 -11.302 11.591 1.616 256 HD13 ILE 32 2HD1 ILE 32 -10.008 11.903 0.442 257 H GLY 33 H GLY 33 -7.026 10.630 4.279 258 HA2 GLY 33 1HA GLY 33 -6.316 8.288 5.956 259 HA3 GLY 33 2HA GLY 33 -5.803 9.928 6.288 260 H ASN 34 H ASN 34 -8.038 11.289 7.004 261 HA ASN 34 HA ASN 34 -9.210 9.773 9.345 262 HB2 ASN 34 1HB ASN 34 -9.690 11.920 10.304 263 HB3 ASN 34 2HB ASN 34 -8.041 11.904 9.754 264 HD21 ASN 34 1HD2 ASN 34 -11.235 13.159 8.967 265 HD22 ASN 34 2HD2 ASN 34 -10.567 14.579 8.012 266 H THR 35 H THR 35 -10.264 9.036 6.793 267 HA THR 35 HA THR 35 -13.196 9.509 7.328 268 HB THR 35 HB THR 35 -11.952 10.265 4.638 269 HG1 THR 35 HG1 THR 35 -11.538 11.939 5.795 270 HG21 THR 35 3HG2 THR 35 -14.857 10.659 5.571 271 HG22 THR 35 1HG2 THR 35 -14.151 11.171 4.020 272 HG23 THR 35 2HG2 THR 35 -14.337 9.444 4.378 273 H VAL 36 H VAL 36 -11.100 8.050 4.708 274 HA VAL 36 HA VAL 36 -13.167 5.846 4.722 275 HB VAL 36 HB VAL 36 -11.291 6.545 2.411 276 HG11 VAL 36 1HG1 VAL 36 -12.849 5.058 1.117 277 HG12 VAL 36 2HG1 VAL 36 -12.231 4.145 2.496 278 HG13 VAL 36 3HG1 VAL 36 -13.877 4.814 2.541 279 HG21 VAL 36 3HG2 VAL 36 -13.512 7.451 1.342 280 HG22 VAL 36 1HG2 VAL 36 -14.146 7.526 3.017 281 HG23 VAL 36 2HG2 VAL 36 -12.746 8.467 2.575 282 H THR 37 H THR 37 -12.426 4.418 6.039 283 HA THR 37 HA THR 37 -10.100 3.436 6.871 284 HB THR 37 HB THR 37 -11.121 1.298 7.336 285 HG1 THR 37 HG1 THR 37 -11.953 1.379 5.003 286 HG21 THR 37 3HG2 THR 37 -12.995 1.942 8.572 287 HG22 THR 37 1HG2 THR 37 -12.338 3.574 8.224 288 HG23 THR 37 2HG2 THR 37 -13.677 2.936 7.271 289 HA PRO 38 HA PRO 38 -8.064 2.103 2.893 290 HB2 PRO 38 1HB PRO 38 -5.525 1.367 3.898 291 HB3 PRO 38 2HB PRO 38 -6.081 2.978 3.415 292 HG2 PRO 38 1HG PRO 38 -6.151 1.771 6.248 293 HG3 PRO 38 2HG PRO 38 -5.475 3.343 5.756 294 HD2 PRO 38 1HD PRO 38 -7.964 3.278 6.803 295 HD3 PRO 38 2HD PRO 38 -7.743 4.246 5.322 296 H THR 39 H THR 39 -8.707 0.365 1.962 297 HA THR 39 HA THR 39 -9.146 -2.194 3.328 298 HB THR 39 HB THR 39 -9.407 -1.587 0.347 299 HG1 THR 39 HG1 THR 39 -10.777 -0.226 0.727 300 HG21 THR 39 3HG2 THR 39 -10.996 -3.505 2.182 301 HG22 THR 39 1HG2 THR 39 -11.438 -3.097 0.504 302 HG23 THR 39 2HG2 THR 39 -9.920 -3.939 0.832 303 H VAL 40 H VAL 40 -6.695 -2.225 3.719 304 HA VAL 40 HA VAL 40 -4.907 -3.005 1.516 305 HB VAL 40 HB VAL 40 -3.072 -3.289 3.073 306 HG11 VAL 40 1HG1 VAL 40 -3.537 -1.070 2.097 307 HG12 VAL 40 2HG1 VAL 40 -4.632 -0.658 3.436 308 HG13 VAL 40 3HG1 VAL 40 -2.891 -0.894 3.733 309 HG21 VAL 40 3HG2 VAL 40 -5.065 -2.635 5.336 310 HG22 VAL 40 1HG2 VAL 40 -4.050 -4.074 5.172 311 HG23 VAL 40 2HG2 VAL 40 -3.294 -2.511 5.482 312 H THR 41 H THR 41 -5.659 -4.738 0.603 313 HA THR 41 HA THR 41 -6.592 -7.037 2.183 314 HB THR 41 HB THR 41 -6.932 -6.236 -0.728 315 HG1 THR 41 HG1 THR 41 -7.947 -4.945 0.700 316 HG21 THR 41 3HG2 THR 41 -8.219 -8.627 0.728 317 HG22 THR 41 1HG2 THR 41 -8.858 -7.858 -0.749 318 HG23 THR 41 2HG2 THR 41 -7.276 -8.656 -0.766 319 H PHE 42 H PHE 42 -5.391 -8.622 2.739 320 HA PHE 42 HA PHE 42 -2.689 -8.911 1.389 321 HB2 PHE 42 1HB PHE 42 -2.904 -8.305 3.873 322 HB3 PHE 42 2HB PHE 42 -3.623 -9.875 4.163 323 HD1 PHE 42 HD1 PHE 42 -0.473 -8.132 3.091 324 HD2 PHE 42 HD2 PHE 42 -2.213 -11.913 4.169 325 HE1 PHE 42 HE1 PHE 42 1.770 -9.136 3.267 326 HE2 PHE 42 HE2 PHE 42 0.026 -12.866 4.453 327 HZ PHE 42 HZ PHE 42 2.021 -11.481 4.082 328 H THR 43 H THR 43 -2.642 -10.372 -0.007 329 HA THR 43 HA THR 43 -3.922 -13.125 0.345 330 HB THR 43 HB THR 43 -4.674 -12.943 -2.007 331 HG1 THR 43 HG1 THR 43 -3.470 -10.367 -1.896 332 HG21 THR 43 3HG2 THR 43 -5.558 -10.243 -0.838 333 HG22 THR 43 1HG2 THR 43 -6.498 -11.426 -1.776 334 HG23 THR 43 2HG2 THR 43 -6.073 -11.733 -0.062 335 H MET 44 H MET 44 -2.811 -14.881 -0.568 336 HA MET 44 HA MET 44 0.020 -14.422 -1.447 337 HB2 MET 44 1HB MET 44 -0.666 -16.261 0.107 338 HB3 MET 44 2HB MET 44 -1.525 -17.078 -1.199 339 HG2 MET 44 1HG MET 44 0.621 -17.399 -2.452 340 HG3 MET 44 2HG MET 44 1.505 -16.401 -1.297 341 HE1 MET 44 3HE MET 44 2.766 -17.379 0.662 342 HE2 MET 44 1HE MET 44 1.231 -17.042 1.521 343 HE3 MET 44 2HE MET 44 2.066 -18.605 1.757 344 H ASP 45 H ASP 45 0.523 -13.948 -3.459 345 HA ASP 45 HA ASP 45 -1.282 -14.577 -5.848 346 HB2 ASP 45 1HB ASP 45 -0.676 -12.265 -5.305 347 HB3 ASP 45 2HB ASP 45 1.054 -12.643 -5.330 348 H GLY 46 H GLY 46 -0.678 -16.797 -5.669 349 HA2 GLY 46 1HA GLY 46 0.394 -18.673 -6.804 350 HA3 GLY 46 2HA GLY 46 1.603 -17.599 -7.468 351 H ASP 47 H ASP 47 3.000 -16.673 -5.683 352 HA ASP 47 HA ASP 47 3.958 -18.814 -3.742 353 HB2 ASP 47 1HB ASP 47 5.482 -18.792 -5.727 354 HB3 ASP 47 2HB ASP 47 5.791 -17.073 -5.523 355 H LYS 48 H LYS 48 4.372 -15.360 -4.586 356 HA LYS 48 HA LYS 48 4.840 -14.768 -1.656 357 HB2 LYS 48 1HB LYS 48 6.154 -13.042 -2.242 358 HB3 LYS 48 2HB LYS 48 6.578 -14.378 -3.287 359 HG2 LYS 48 1HG LYS 48 5.329 -13.164 -5.204 360 HG3 LYS 48 2HG LYS 48 5.022 -11.834 -4.075 361 HD2 LYS 48 1HD LYS 48 7.541 -11.602 -3.694 362 HD3 LYS 48 2HD LYS 48 7.821 -12.906 -4.852 363 HE2 LYS 48 1HE LYS 48 6.674 -11.440 -6.644 364 HE3 LYS 48 2HE LYS 48 6.558 -10.143 -5.442 365 HZ1 LYS 48 2HZ LYS 48 9.044 -10.216 -5.236 366 HZ3 LYS 48 1HZ LYS 48 8.582 -9.927 -6.769 367 H MET 49 H MET 49 4.296 -12.345 -1.145 368 HA MET 49 HA MET 49 1.318 -12.653 -0.726 369 HB2 MET 49 1HB MET 49 1.681 -11.235 1.290 370 HB3 MET 49 2HB MET 49 2.555 -12.752 1.317 371 HG2 MET 49 1HG MET 49 4.714 -11.519 0.704 372 HG3 MET 49 2HG MET 49 3.816 -10.017 0.629 373 HE1 MET 49 3HE MET 49 5.599 -12.673 2.714 374 HE2 MET 49 1HE MET 49 5.115 -12.351 4.407 375 HE3 MET 49 2HE MET 49 3.973 -13.142 3.283 376 H THR 50 H THR 50 -0.154 -10.949 -1.078 377 HA THR 50 HA THR 50 0.903 -8.457 -2.481 378 HB THR 50 HB THR 50 -1.407 -10.290 -3.401 379 HG1 THR 50 HG1 THR 50 0.698 -11.148 -3.652 380 HG21 THR 50 3HG2 THR 50 -1.558 -7.809 -4.171 381 HG22 THR 50 1HG2 THR 50 -0.053 -8.100 -5.049 382 HG23 THR 50 2HG2 THR 50 -1.463 -9.062 -5.442 383 H MET 51 H MET 51 0.029 -6.724 -1.793 384 HA MET 51 HA MET 51 -2.481 -6.715 -0.066 385 HB2 MET 51 1HB MET 51 -0.283 -4.603 -0.313 386 HB3 MET 51 2HB MET 51 -1.898 -4.183 0.235 387 HG2 MET 51 1HG MET 51 -1.817 -5.901 2.060 388 HG3 MET 51 2HG MET 51 -0.157 -6.322 1.604 389 HE1 MET 51 3HE MET 51 -0.297 -4.048 4.994 390 HE2 MET 51 1HE MET 51 -1.620 -5.064 4.371 391 HE3 MET 51 2HE MET 51 0.047 -5.701 4.392 392 H LEU 52 H LEU 52 -4.162 -6.694 -1.323 393 HA LEU 52 HA LEU 52 -4.270 -5.123 -3.884 394 HB2 LEU 52 1HB LEU 52 -6.510 -6.842 -2.666 395 HB3 LEU 52 2HB LEU 52 -6.383 -6.294 -4.309 396 HG LEU 52 HG LEU 52 -4.340 -8.209 -2.993 397 HD11 LEU 52 1HD1 LEU 52 -5.412 -10.082 -3.908 398 HD12 LEU 52 2HD1 LEU 52 -6.669 -9.219 -2.999 399 HD13 LEU 52 3HD1 LEU 52 -6.665 -9.127 -4.777 400 HD21 LEU 52 3HD2 LEU 52 -4.891 -7.531 -5.962 401 HD22 LEU 52 1HD2 LEU 52 -3.453 -7.133 -4.980 402 HD23 LEU 52 2HD2 LEU 52 -3.808 -8.820 -5.384 403 H THR 53 H THR 53 -3.908 -3.256 -2.521 404 HA THR 53 HA THR 53 -5.687 -2.287 -0.534 405 HB THR 53 HB THR 53 -3.489 -0.905 -2.154 406 HG1 THR 53 HG1 THR 53 -2.311 -1.415 -0.342 407 HG21 THR 53 3HG2 THR 53 -4.852 0.006 0.471 408 HG22 THR 53 1HG2 THR 53 -3.305 0.657 -0.157 409 HG23 THR 53 2HG2 THR 53 -4.811 0.899 -1.066 410 H GLU 54 H GLU 54 -7.709 -1.900 -0.978 411 HA GLU 54 HA GLU 54 -8.508 -0.015 -3.219 412 HB2 GLU 54 1HB GLU 54 -9.935 -2.306 -1.750 413 HB3 GLU 54 2HB GLU 54 -10.858 -1.126 -2.659 414 HG2 GLU 54 1HG GLU 54 -8.600 -2.871 -3.837 415 HG3 GLU 54 2HG GLU 54 -10.326 -3.173 -3.981 416 H SER 55 H SER 55 -7.776 1.732 -2.034 417 HA SER 55 HA SER 55 -9.637 2.837 0.143 418 HB2 SER 55 1HB SER 55 -6.933 3.971 -0.896 419 HB3 SER 55 2HB SER 55 -7.842 4.585 0.479 420 HG SER 55 HG SER 55 -6.848 1.931 0.249 421 H THR 56 H THR 56 -10.517 5.022 -0.201 422 HA THR 56 HA THR 56 -11.496 5.581 -2.801 423 HB THR 56 HB THR 56 -11.309 7.357 -0.345 424 HG1 THR 56 HG1 THR 56 -13.585 6.380 -1.651 425 HG21 THR 56 3HG2 THR 56 -11.617 9.009 -2.222 426 HG22 THR 56 1HG2 THR 56 -12.912 8.019 -2.913 427 HG23 THR 56 2HG2 THR 56 -13.118 8.783 -1.315 428 H PHE 57 H PHE 57 -8.521 6.957 -1.530 429 HA PHE 57 HA PHE 57 -8.023 8.247 -4.255 430 HB2 PHE 57 1HB PHE 57 -7.048 8.959 -1.473 431 HB3 PHE 57 2HB PHE 57 -5.899 9.177 -2.751 432 HD1 PHE 57 HD1 PHE 57 -7.043 10.300 -5.092 433 HD2 PHE 57 HD2 PHE 57 -8.478 10.824 -1.068 434 HE1 PHE 57 HE1 PHE 57 -8.259 12.326 -5.783 435 HE2 PHE 57 HE2 PHE 57 -9.768 12.743 -1.791 436 HZ PHE 57 HZ PHE 57 -9.642 13.562 -4.137 437 H LYS 58 H LYS 58 -6.926 5.668 -2.276 438 HA LYS 58 HA LYS 58 -4.815 4.970 -4.412 439 HB2 LYS 58 1HB LYS 58 -4.605 4.305 -1.410 440 HB3 LYS 58 2HB LYS 58 -3.627 3.568 -2.665 441 HG2 LYS 58 1HG LYS 58 -2.735 5.845 -3.341 442 HG3 LYS 58 2HG LYS 58 -3.596 6.587 -1.997 443 HD2 LYS 58 1HD LYS 58 -1.509 4.299 -1.755 444 HD3 LYS 58 2HD LYS 58 -1.114 5.991 -1.621 445 HE2 LYS 58 1HE LYS 58 -2.614 6.238 0.419 446 HE3 LYS 58 2HE LYS 58 -3.048 4.523 0.305 447 HZ1 LYS 58 3HZ LYS 58 -1.012 4.795 1.808 448 HZ2 LYS 58 1HZ LYS 58 -0.595 3.937 0.429 449 HZ3 LYS 58 2HZ LYS 58 -0.168 5.434 0.515 450 H ASN 59 H ASN 59 -6.950 4.130 -5.293 451 HA ASN 59 HA ASN 59 -7.429 1.270 -4.443 452 HB2 ASN 59 1HB ASN 59 -9.156 1.163 -6.050 453 HB3 ASN 59 2HB ASN 59 -9.324 2.566 -5.048 454 HD21 ASN 59 1HD2 ASN 59 -9.352 1.501 -8.209 455 HD22 ASN 59 2HD2 ASN 59 -9.324 3.173 -8.985 456 H LEU 60 H LEU 60 -5.534 0.218 -4.693 457 HA LEU 60 HA LEU 60 -4.606 -0.503 -7.421 458 HB2 LEU 60 1HB LEU 60 -2.318 0.471 -7.271 459 HB3 LEU 60 2HB LEU 60 -3.602 1.637 -7.368 460 HG LEU 60 HG LEU 60 -3.347 1.503 -4.589 461 HD11 LEU 60 1HD1 LEU 60 -1.322 -0.012 -4.689 462 HD12 LEU 60 2HD1 LEU 60 -0.468 1.162 -5.707 463 HD13 LEU 60 3HD1 LEU 60 -0.904 1.576 -4.032 464 HD21 LEU 60 3HD2 LEU 60 -1.712 3.352 -6.458 465 HD22 LEU 60 1HD2 LEU 60 -3.412 3.589 -5.981 466 HD23 LEU 60 2HD2 LEU 60 -2.131 3.660 -4.757 467 H SER 61 H SER 61 -3.571 -2.409 -7.500 468 HA SER 61 HA SER 61 -2.916 -3.843 -4.941 469 HB2 SER 61 1HB SER 61 -2.722 -5.861 -6.448 470 HB3 SER 61 2HB SER 61 -4.282 -5.038 -6.632 471 HG SER 61 HG SER 61 -2.029 -4.527 -8.309 472 H VAL 62 H VAL 62 -0.929 -4.598 -4.302 473 HA VAL 62 HA VAL 62 1.382 -4.459 -6.284 474 HB VAL 62 HB VAL 62 2.271 -3.861 -3.505 475 HG11 VAL 62 1HG1 VAL 62 3.824 -2.321 -4.722 476 HG12 VAL 62 2HG1 VAL 62 3.829 -3.933 -5.447 477 HG13 VAL 62 3HG1 VAL 62 2.953 -2.598 -6.238 478 HG21 VAL 62 3HG2 VAL 62 0.312 -2.296 -3.451 479 HG22 VAL 62 1HG2 VAL 62 1.841 -1.400 -3.576 480 HG23 VAL 62 2HG2 VAL 62 0.793 -1.602 -5.010 481 H THR 63 H THR 63 2.925 -5.939 -5.980 482 HA THR 63 HA THR 63 2.261 -8.402 -4.300 483 HB THR 63 HB THR 63 3.496 -8.513 -7.112 484 HG1 THR 63 HG1 THR 63 1.314 -9.999 -7.029 485 HG21 THR 63 3HG2 THR 63 3.328 -10.963 -6.918 486 HG22 THR 63 1HG2 THR 63 4.267 -10.380 -5.525 487 HG23 THR 63 2HG2 THR 63 2.590 -10.855 -5.313 488 H PHE 64 H PHE 64 3.893 -9.215 -3.192 489 HA PHE 64 HA PHE 64 6.737 -8.332 -3.416 490 HB2 PHE 64 1HB PHE 64 6.833 -6.935 -1.398 491 HB3 PHE 64 2HB PHE 64 5.689 -6.292 -2.529 492 HD1 PHE 64 HD1 PHE 64 3.244 -6.270 -2.028 493 HD2 PHE 64 HD2 PHE 64 6.034 -7.904 0.812 494 HE1 PHE 64 HE1 PHE 64 1.534 -6.173 -0.292 495 HE2 PHE 64 HE2 PHE 64 4.298 -7.801 2.561 496 HZ PHE 64 HZ PHE 64 2.037 -6.951 2.020 497 H LYS 65 H LYS 65 8.052 -8.874 -1.500 498 HA LYS 65 HA LYS 65 7.045 -11.185 0.142 499 HB2 LYS 65 1HB LYS 65 8.877 -12.674 -0.215 500 HB3 LYS 65 2HB LYS 65 8.026 -12.281 -1.667 501 HG2 LYS 65 1HG LYS 65 10.195 -12.555 -2.280 502 HG3 LYS 65 2HG LYS 65 9.848 -10.857 -2.506 503 HD2 LYS 65 1HD LYS 65 11.249 -10.192 -0.640 504 HD3 LYS 65 2HD LYS 65 11.249 -11.793 0.070 505 HE2 LYS 65 1HE LYS 65 13.430 -11.351 -0.882 506 HE3 LYS 65 2HE LYS 65 12.684 -12.719 -1.706 507 HZ1 LYS 65 3HZ LYS 65 13.746 -11.061 -3.331 508 HZ2 LYS 65 1HZ LYS 65 12.120 -11.175 -3.614 509 HZ3 LYS 65 2HZ LYS 65 12.669 -9.875 -2.886 510 H PHE 66 H PHE 66 8.509 -11.864 1.863 511 HA PHE 66 HA PHE 66 9.283 -9.634 3.646 512 HB2 PHE 66 1HB PHE 66 9.934 -11.301 5.208 513 HB3 PHE 66 2HB PHE 66 8.316 -11.490 4.620 514 HD1 PHE 66 HD1 PHE 66 7.723 -13.486 3.121 515 HD2 PHE 66 HD2 PHE 66 11.628 -13.104 4.903 516 HE1 PHE 66 HE1 PHE 66 8.164 -15.864 2.676 517 HE2 PHE 66 HE2 PHE 66 12.046 -15.490 4.472 518 HZ PHE 66 HZ PHE 66 10.322 -16.876 3.352 519 H GLY 67 H GLY 67 10.533 -8.700 2.101 520 HA2 GLY 67 1HA GLY 67 13.447 -8.563 2.502 521 HA3 GLY 67 2HA GLY 67 13.092 -9.609 1.125 522 H GLU 68 H GLU 68 10.875 -8.188 0.023 523 HA GLU 68 HA GLU 68 12.287 -6.195 -1.590 524 HB2 GLU 68 1HB GLU 68 9.234 -6.329 -1.436 525 HB3 GLU 68 2HB GLU 68 10.244 -5.723 -2.736 526 HG2 GLU 68 1HG GLU 68 9.845 -8.623 -1.871 527 HG3 GLU 68 2HG GLU 68 9.119 -7.824 -3.265 528 H GLU 69 H GLU 69 12.278 -3.971 -1.494 529 HA GLU 69 HA GLU 69 10.403 -2.543 0.433 530 HB2 GLU 69 1HB GLU 69 11.485 -0.579 0.330 531 HB3 GLU 69 2HB GLU 69 12.638 -1.819 0.708 532 HG2 GLU 69 1HG GLU 69 13.733 -1.644 -1.495 533 HG3 GLU 69 2HG GLU 69 12.478 -0.587 -2.125 534 H PHE 70 H PHE 70 8.551 -3.083 -0.580 535 HA PHE 70 HA PHE 70 8.192 -2.834 -3.474 536 HB2 PHE 70 1HB PHE 70 6.101 -3.771 -3.310 537 HB3 PHE 70 2HB PHE 70 7.175 -4.593 -2.221 538 HD1 PHE 70 HD1 PHE 70 6.823 -4.390 0.291 539 HD2 PHE 70 HD2 PHE 70 4.123 -2.491 -2.470 540 HE1 PHE 70 HE1 PHE 70 5.185 -4.107 2.074 541 HE2 PHE 70 HE2 PHE 70 2.462 -2.243 -0.676 542 HZ PHE 70 HZ PHE 70 2.979 -3.043 1.614 543 H ASP 71 H ASP 71 7.420 -1.080 -4.712 544 HA ASP 71 HA ASP 71 6.758 1.410 -3.252 545 HB2 ASP 71 1HB ASP 71 7.031 2.626 -5.168 546 HB3 ASP 71 2HB ASP 71 8.346 1.488 -5.014 547 H GLU 72 H GLU 72 4.901 2.316 -2.893 548 HA GLU 72 HA GLU 72 2.456 1.460 -4.507 549 HB2 GLU 72 1HB GLU 72 1.030 1.488 -2.656 550 HB3 GLU 72 2HB GLU 72 2.404 0.494 -2.294 551 HG2 GLU 72 1HG GLU 72 2.440 1.506 -0.285 552 HG3 GLU 72 2HG GLU 72 3.268 2.834 -1.061 553 H LYS 73 H LYS 73 1.427 2.961 -5.510 554 HA LYS 73 HA LYS 73 2.678 5.676 -5.563 555 HB2 LYS 73 1HB LYS 73 2.333 4.241 -7.595 556 HB3 LYS 73 2HB LYS 73 0.598 4.380 -7.442 557 HG2 LYS 73 1HG LYS 73 1.916 7.100 -7.501 558 HG3 LYS 73 2HG LYS 73 2.492 6.093 -8.798 559 HD2 LYS 73 1HD LYS 73 0.683 7.322 -9.676 560 HD3 LYS 73 2HD LYS 73 0.145 5.648 -9.585 561 HE2 LYS 73 1HE LYS 73 -1.150 6.174 -7.449 562 HE3 LYS 73 2HE LYS 73 -0.553 7.833 -7.479 563 HZ1 LYS 73 3HZ LYS 73 -1.694 8.132 -9.686 564 HZ2 LYS 73 1HZ LYS 73 -2.225 6.581 -9.670 565 HZ3 LYS 73 2HZ LYS 73 -2.797 7.653 -8.564 566 H THR 74 H THR 74 1.982 7.309 -4.528 567 HA THR 74 HA THR 74 -0.686 7.387 -3.281 568 HB THR 74 HB THR 74 0.259 9.311 -2.013 569 HG1 THR 74 HG1 THR 74 2.699 8.894 -3.313 570 HG21 THR 74 3HG2 THR 74 2.267 8.161 -0.987 571 HG22 THR 74 1HG2 THR 74 0.907 7.031 -1.174 572 HG23 THR 74 2HG2 THR 74 2.263 6.960 -2.302 573 H SER 75 H SER 75 -2.288 8.922 -3.442 574 HA SER 75 HA SER 75 -2.736 10.446 -5.853 575 HB2 SER 75 1HB SER 75 -4.533 9.699 -4.432 576 HB3 SER 75 2HB SER 75 -3.998 10.696 -3.069 577 HG SER 75 HG SER 75 -5.664 11.708 -4.274 578 H ASP 76 H ASP 76 -0.994 11.499 -3.024 579 HA ASP 76 HA ASP 76 -0.575 14.306 -3.782 580 HB2 ASP 76 1HB ASP 76 -0.213 13.380 -1.514 581 HB3 ASP 76 2HB ASP 76 1.033 12.282 -2.111 582 H GLY 77 H GLY 77 0.658 11.372 -5.115 583 HA2 GLY 77 1HA GLY 77 1.686 11.257 -7.312 584 HA3 GLY 77 2HA GLY 77 2.287 12.893 -7.156 585 H ARG 78 H ARG 78 2.731 9.865 -5.291 586 HA ARG 78 HA ARG 78 5.748 10.055 -5.552 587 HB2 ARG 78 1HB ARG 78 4.637 9.647 -2.736 588 HB3 ARG 78 2HB ARG 78 6.210 10.192 -3.238 589 HG2 ARG 78 1HG ARG 78 3.588 11.822 -3.321 590 HG3 ARG 78 2HG ARG 78 4.668 11.766 -1.953 591 HD2 ARG 78 1HD ARG 78 6.481 12.929 -3.189 592 HD3 ARG 78 2HD ARG 78 5.570 12.827 -4.708 593 HE ARG 78 HE ARG 78 3.951 14.078 -2.482 594 HH11 ARG 78 1HH1 ARG 78 6.126 14.807 -5.118 595 HH12 ARG 78 2HH1 ARG 78 5.384 16.471 -5.325 596 HH21 ARG 78 1HH2 ARG 78 3.113 15.850 -2.809 597 HH22 ARG 78 2HH2 ARG 78 3.758 17.037 -4.038 598 H ASN 79 H ASN 79 6.289 7.990 -6.121 599 HA ASN 79 HA ASN 79 4.757 5.618 -5.143 600 HB2 ASN 79 1HB ASN 79 5.994 4.220 -6.454 601 HB3 ASN 79 2HB ASN 79 5.565 5.603 -7.409 602 HD21 ASN 79 1HD2 ASN 79 7.724 3.523 -7.599 603 HD22 ASN 79 2HD2 ASN 79 9.175 4.604 -7.997 604 H VAL 80 H VAL 80 4.926 5.075 -3.060 605 HA VAL 80 HA VAL 80 7.545 5.731 -1.603 606 HB VAL 80 HB VAL 80 6.509 5.823 0.453 607 HG11 VAL 80 1HG1 VAL 80 5.296 7.992 0.200 608 HG12 VAL 80 2HG1 VAL 80 6.612 7.917 -0.991 609 HG13 VAL 80 3HG1 VAL 80 4.935 7.641 -1.505 610 HG21 VAL 80 3HG2 VAL 80 3.712 5.415 -0.826 611 HG22 VAL 80 1HG2 VAL 80 4.508 4.330 0.329 612 HG23 VAL 80 2HG2 VAL 80 4.029 5.951 0.844 613 H LYS 81 H LYS 81 8.430 4.166 -0.315 614 HA LYS 81 HA LYS 81 7.981 1.386 -1.471 615 HB2 LYS 81 1HB LYS 81 10.546 2.835 -0.629 616 HB3 LYS 81 2HB LYS 81 10.478 1.107 -0.594 617 HG2 LYS 81 1HG LYS 81 11.435 1.590 -2.638 618 HG3 LYS 81 2HG LYS 81 9.845 0.969 -2.991 619 HD2 LYS 81 1HD LYS 81 10.305 2.742 -4.512 620 HD3 LYS 81 2HD LYS 81 8.993 3.275 -3.471 621 HE2 LYS 81 1HE LYS 81 10.663 4.642 -2.083 622 HE3 LYS 81 2HE LYS 81 11.975 4.094 -3.134 623 HZ1 LYS 81 3HZ LYS 81 10.710 5.114 -5.072 624 HZ2 LYS 81 1HZ LYS 81 9.494 5.582 -4.079 625 HZ3 LYS 81 2HZ LYS 81 10.987 6.286 -3.941 626 H SER 82 H SER 82 8.444 -0.394 0.020 627 HA SER 82 HA SER 82 8.113 0.188 2.986 628 HB2 SER 82 1HB SER 82 6.030 -1.240 1.256 629 HB3 SER 82 2HB SER 82 6.075 -1.384 3.021 630 HG SER 82 HG SER 82 6.229 1.174 1.862 631 H VAL 83 H VAL 83 9.838 -0.827 3.735 632 HA VAL 83 HA VAL 83 10.813 -3.382 2.517 633 HB VAL 83 HB VAL 83 12.304 -1.519 3.034 634 HG11 VAL 83 1HG1 VAL 83 12.093 -2.196 6.007 635 HG12 VAL 83 2HG1 VAL 83 13.320 -1.169 5.223 636 HG13 VAL 83 3HG1 VAL 83 11.620 -0.691 5.160 637 HG21 VAL 83 3HG2 VAL 83 13.195 -3.809 2.620 638 HG22 VAL 83 1HG2 VAL 83 14.201 -2.928 3.790 639 HG23 VAL 83 2HG2 VAL 83 13.081 -4.188 4.355 640 H VAL 84 H VAL 84 10.105 -5.283 3.102 641 HA VAL 84 HA VAL 84 8.457 -5.529 5.589 642 HB VAL 84 HB VAL 84 8.669 -7.419 3.177 643 HG11 VAL 84 1HG1 VAL 84 7.631 -8.458 5.345 644 HG12 VAL 84 2HG1 VAL 84 6.392 -7.195 5.285 645 HG13 VAL 84 3HG1 VAL 84 6.525 -8.377 3.958 646 HG21 VAL 84 3HG2 VAL 84 7.794 -5.312 2.332 647 HG22 VAL 84 1HG2 VAL 84 6.376 -6.320 2.615 648 HG23 VAL 84 2HG2 VAL 84 6.794 -5.051 3.770 649 H GLU 85 H GLU 85 8.918 -6.584 7.264 650 HA GLU 85 HA GLU 85 10.706 -9.044 7.260 651 HB2 GLU 85 1HB GLU 85 12.175 -7.152 7.801 652 HB3 GLU 85 2HB GLU 85 11.104 -6.546 9.050 653 HG2 GLU 85 1HG GLU 85 12.452 -9.331 9.272 654 HG3 GLU 85 2HG GLU 85 13.259 -7.841 9.725 655 H LYS 86 H LYS 86 9.384 -10.597 8.047 656 HA LYS 86 HA LYS 86 7.367 -9.945 10.178 657 HB2 LYS 86 1HB LYS 86 6.176 -11.755 9.778 658 HB3 LYS 86 2HB LYS 86 6.665 -11.271 8.177 659 HG2 LYS 86 1HG LYS 86 7.749 -13.592 9.870 660 HG3 LYS 86 2HG LYS 86 6.612 -13.698 8.533 661 HD2 LYS 86 1HD LYS 86 8.538 -12.739 7.004 662 HD3 LYS 86 2HD LYS 86 9.577 -12.818 8.402 663 HE2 LYS 86 1HE LYS 86 10.129 -14.798 7.281 664 HE3 LYS 86 2HE LYS 86 9.097 -15.363 8.599 665 HZ1 LYS 86 3HZ LYS 86 7.203 -15.483 7.011 666 HZ2 LYS 86 1HZ LYS 86 8.059 -14.664 5.867 667 HZ3 LYS 86 2HZ LYS 86 8.460 -16.224 6.234 668 H ASN 87 H ASN 87 7.725 -10.320 12.227 669 HA ASN 87 HA ASN 87 10.294 -11.592 13.177 670 HB2 ASN 87 1HB ASN 87 7.951 -10.808 14.984 671 HB3 ASN 87 2HB ASN 87 9.609 -11.101 15.443 672 HD21 ASN 87 1HD2 ASN 87 10.824 -9.286 13.364 673 HD22 ASN 87 2HD2 ASN 87 10.391 -7.703 14.086 674 H SER 88 H SER 88 6.941 -12.648 12.954 675 HA SER 88 HA SER 88 7.911 -15.419 12.863 676 HB2 SER 88 1HB SER 88 6.055 -14.814 15.251 677 HB3 SER 88 2HB SER 88 6.350 -16.438 14.609 678 HG SER 88 HG SER 88 8.619 -14.864 15.040 679 H GLU 89 H GLU 89 4.459 -15.217 13.544 680 HA GLU 89 HA GLU 89 3.970 -14.346 10.668 681 HB2 GLU 89 1HB GLU 89 3.711 -16.935 11.469 682 HB3 GLU 89 2HB GLU 89 2.141 -16.391 12.040 683 HG2 GLU 89 1HG GLU 89 1.774 -15.401 9.607 684 HG3 GLU 89 2HG GLU 89 3.269 -16.206 9.160 685 H SER 90 H SER 90 3.246 -13.276 13.580 686 HA SER 90 HA SER 90 1.368 -11.389 12.462 687 HB2 SER 90 1HB SER 90 -0.488 -11.453 14.040 688 HB3 SER 90 2HB SER 90 -0.371 -12.955 13.127 689 HG SER 90 HG SER 90 0.743 -13.853 14.957 690 H LYS 91 H LYS 91 3.910 -11.073 13.151 691 HA LYS 91 HA LYS 91 3.692 -8.705 14.902 692 HB2 LYS 91 1HB LYS 91 4.290 -10.731 16.471 693 HB3 LYS 91 2HB LYS 91 5.795 -10.866 15.607 694 HG2 LYS 91 1HG LYS 91 6.486 -9.536 17.400 695 HG3 LYS 91 2HG LYS 91 6.164 -8.296 16.221 696 HD2 LYS 91 1HD LYS 91 5.119 -7.430 18.119 697 HD3 LYS 91 2HD LYS 91 3.756 -8.092 17.230 698 HE2 LYS 91 1HE LYS 91 3.976 -10.245 18.733 699 HE3 LYS 91 2HE LYS 91 5.236 -9.389 19.631 700 HZ1 LYS 91 3HZ LYS 91 3.462 -7.482 19.961 701 HZ2 LYS 91 1HZ LYS 91 2.345 -8.539 19.383 702 HZ3 LYS 91 2HZ LYS 91 3.142 -8.892 20.780 703 H LEU 92 H LEU 92 4.310 -7.503 13.209 704 HA LEU 92 HA LEU 92 6.700 -8.263 11.426 705 HB2 LEU 92 1HB LEU 92 4.390 -9.025 10.755 706 HB3 LEU 92 2HB LEU 92 3.809 -7.390 10.651 707 HG LEU 92 HG LEU 92 6.255 -8.198 9.033 708 HD11 LEU 92 1HD1 LEU 92 4.889 -9.164 7.208 709 HD12 LEU 92 2HD1 LEU 92 4.621 -10.103 8.684 710 HD13 LEU 92 3HD1 LEU 92 3.392 -8.947 8.142 711 HD21 LEU 92 3HD2 LEU 92 5.451 -6.665 7.355 712 HD22 LEU 92 1HD2 LEU 92 3.845 -6.508 8.086 713 HD23 LEU 92 2HD2 LEU 92 5.241 -5.790 8.876 714 H THR 93 H THR 93 7.603 -6.500 10.121 715 HA THR 93 HA THR 93 6.862 -3.646 10.913 716 HB THR 93 HB THR 93 9.556 -5.005 11.362 717 HG1 THR 93 HG1 THR 93 7.666 -4.871 12.841 718 HG21 THR 93 3HG2 THR 93 10.356 -2.750 12.191 719 HG22 THR 93 1HG2 THR 93 10.177 -2.796 10.432 720 HG23 THR 93 2HG2 THR 93 8.956 -1.963 11.420 721 H GLN 94 H GLN 94 5.976 -3.594 8.955 722 HA GLN 94 HA GLN 94 7.544 -3.719 6.400 723 HB2 GLN 94 1HB GLN 94 5.396 -4.646 6.480 724 HB3 GLN 94 2HB GLN 94 4.625 -3.238 7.182 725 HG2 GLN 94 1HG GLN 94 4.844 -1.984 5.036 726 HG3 GLN 94 2HG GLN 94 5.731 -3.286 4.298 727 HE21 GLN 94 1HE2 GLN 94 4.515 -5.282 3.888 728 HE22 GLN 94 2HE2 GLN 94 2.708 -5.117 3.671 729 H THR 95 H THR 95 9.139 -2.085 6.856 730 HA THR 95 HA THR 95 8.308 0.556 7.989 731 HB THR 95 HB THR 95 11.121 -0.286 7.146 732 HG1 THR 95 HG1 THR 95 10.209 -1.611 8.656 733 HG21 THR 95 3HG2 THR 95 10.039 2.085 8.802 734 HG22 THR 95 1HG2 THR 95 11.692 1.464 8.956 735 HG23 THR 95 2HG2 THR 95 11.127 2.138 7.420 736 H GLN 96 H GLN 96 7.890 2.413 6.907 737 HA GLN 96 HA GLN 96 7.491 2.069 3.949 738 HB2 GLN 96 1HB GLN 96 6.340 3.993 6.026 739 HB3 GLN 96 2HB GLN 96 6.147 4.300 4.309 740 HG2 GLN 96 1HG GLN 96 4.888 2.195 3.997 741 HG3 GLN 96 2HG GLN 96 5.296 1.626 5.601 742 HE21 GLN 96 1HE2 GLN 96 3.916 4.672 4.327 743 HE22 GLN 96 2HE2 GLN 96 2.510 4.654 5.504 744 H VAL 97 H VAL 97 8.836 2.978 2.477 745 HA VAL 97 HA VAL 97 11.026 4.888 3.473 746 HB VAL 97 HB VAL 97 11.130 2.586 1.448 747 HG11 VAL 97 1HG1 VAL 97 12.400 4.463 0.389 748 HG12 VAL 97 2HG1 VAL 97 13.128 4.863 1.959 749 HG13 VAL 97 3HG1 VAL 97 13.560 3.340 1.109 750 HG21 VAL 97 3HG2 VAL 97 11.515 1.947 3.832 751 HG22 VAL 97 1HG2 VAL 97 13.048 1.894 2.946 752 HG23 VAL 97 2HG2 VAL 97 12.687 3.268 4.038 753 H ASP 98 H ASP 98 9.441 6.460 3.248 754 HA ASP 98 HA ASP 98 8.385 7.367 0.695 755 HB2 ASP 98 1HB ASP 98 8.686 8.596 3.533 756 HB3 ASP 98 2HB ASP 98 7.706 9.309 2.301 757 HA PRO 99 HA PRO 99 11.670 10.551 -0.251 758 HB2 PRO 99 1HB PRO 99 10.264 12.889 -0.914 759 HB3 PRO 99 2HB PRO 99 10.376 11.447 -1.940 760 HG2 PRO 99 1HG PRO 99 8.112 12.112 0.056 761 HG3 PRO 99 2HG PRO 99 7.939 11.733 -1.679 762 HD2 PRO 99 1HD PRO 99 7.601 9.753 0.172 763 HD3 PRO 99 2HD PRO 99 8.517 9.386 -1.317 764 H LYS 100 H LYS 100 10.234 10.564 2.568 765 HA LYS 100 HA LYS 100 12.549 12.191 3.587 766 HB2 LYS 100 1HB LYS 100 9.757 12.398 4.893 767 HB3 LYS 100 2HB LYS 100 11.199 12.759 5.763 768 HG2 LYS 100 1HG LYS 100 10.704 14.888 5.116 769 HG3 LYS 100 2HG LYS 100 11.789 14.450 3.812 770 HD2 LYS 100 1HD LYS 100 9.421 13.630 2.631 771 HD3 LYS 100 2HD LYS 100 8.725 14.596 3.881 772 HE2 LYS 100 1HE LYS 100 8.843 15.937 1.875 773 HE3 LYS 100 2HE LYS 100 9.965 16.657 3.026 774 HZ1 LYS 100 3HZ LYS 100 11.807 15.975 1.717 775 HZ2 LYS 100 1HZ LYS 100 11.147 14.549 1.291 776 HZ3 LYS 100 2HZ LYS 100 10.726 15.930 0.473 777 H ASN 101 H ASN 101 11.341 9.141 3.406 778 HA ASN 101 HA ASN 101 11.274 7.212 4.662 779 HB2 ASN 101 1HB ASN 101 13.510 8.428 6.377 780 HB3 ASN 101 2HB ASN 101 12.943 6.779 6.452 781 HD21 ASN 101 1HD2 ASN 101 14.842 8.973 4.583 782 HD22 ASN 101 2HD2 ASN 101 15.411 7.671 3.406 783 H THR 102 H THR 102 9.417 6.842 5.548 784 HA THR 102 HA THR 102 8.391 8.036 8.085 785 HB THR 102 HB THR 102 7.602 5.536 6.538 786 HG1 THR 102 HG1 THR 102 6.816 7.053 5.272 787 HG21 THR 102 3HG2 THR 102 5.483 5.488 7.655 788 HG22 THR 102 1HG2 THR 102 6.712 5.389 8.932 789 HG23 THR 102 2HG2 THR 102 5.842 6.906 8.632 790 H THR 103 H THR 103 8.516 7.080 10.152 791 HA THR 103 HA THR 103 11.002 5.470 10.636 792 HB THR 103 HB THR 103 9.105 7.009 12.446 793 HG1 THR 103 HG1 THR 103 10.875 7.796 10.808 794 HG21 THR 103 3HG2 THR 103 11.881 5.864 13.191 795 HG22 THR 103 1HG2 THR 103 10.809 6.848 14.215 796 HG23 THR 103 2HG2 THR 103 10.337 5.194 13.760 797 H VAL 104 H VAL 104 11.038 3.513 11.688 798 HA VAL 104 HA VAL 104 9.707 1.440 10.777 799 HB VAL 104 HB VAL 104 10.200 0.014 12.685 800 HG11 VAL 104 1HG1 VAL 104 12.661 0.206 12.539 801 HG12 VAL 104 2HG1 VAL 104 11.894 0.377 10.960 802 HG13 VAL 104 3HG1 VAL 104 12.531 1.815 11.795 803 HG21 VAL 104 3HG2 VAL 104 9.927 1.572 14.666 804 HG22 VAL 104 1HG2 VAL 104 11.528 0.825 14.628 805 HG23 VAL 104 2HG2 VAL 104 11.324 2.518 14.123 806 H ILE 105 H ILE 105 7.675 1.165 10.359 807 HA ILE 105 HA ILE 105 5.563 1.905 12.226 808 HB ILE 105 HB ILE 105 3.999 1.604 10.457 809 HG12 ILE 105 1HG1 ILE 105 4.847 1.033 8.080 810 HG13 ILE 105 2HG1 ILE 105 6.250 0.293 8.816 811 HG21 ILE 105 1HG2 ILE 105 4.861 3.233 8.862 812 HG22 ILE 105 2HG2 ILE 105 5.570 3.633 10.453 813 HG23 ILE 105 3HG2 ILE 105 6.549 2.837 9.231 814 HD11 ILE 105 3HD1 ILE 105 3.381 -0.661 9.405 815 HD12 ILE 105 1HD1 ILE 105 4.361 -1.250 8.064 816 HD13 ILE 105 2HD1 ILE 105 4.890 -1.533 9.734 817 H VAL 106 H VAL 106 6.866 -0.195 13.240 818 HA VAL 106 HA VAL 106 6.419 -2.830 13.326 819 HB VAL 106 HB VAL 106 6.186 -2.809 15.874 820 HG11 VAL 106 1HG1 VAL 106 8.432 -2.834 14.837 821 HG12 VAL 106 2HG1 VAL 106 8.441 -1.064 14.689 822 HG13 VAL 106 3HG1 VAL 106 8.438 -1.835 16.290 823 HG21 VAL 106 3HG2 VAL 106 6.511 0.261 15.750 824 HG22 VAL 106 1HG2 VAL 106 4.935 -0.493 15.969 825 HG23 VAL 106 2HG2 VAL 106 6.227 -0.778 17.172 826 H ARG 107 H ARG 107 4.935 -4.223 13.118 827 HA ARG 107 HA ARG 107 1.955 -3.540 13.383 828 HB2 ARG 107 1HB ARG 107 2.841 -3.827 11.145 829 HB3 ARG 107 2HB ARG 107 3.518 -5.397 11.512 830 HG2 ARG 107 1HG ARG 107 1.341 -6.442 11.794 831 HG3 ARG 107 2HG ARG 107 0.474 -4.930 11.789 832 HD2 ARG 107 1HD ARG 107 2.005 -6.181 9.425 833 HD3 ARG 107 2HD ARG 107 0.248 -6.142 9.643 834 HE ARG 107 HE ARG 107 0.934 -3.391 9.750 835 HH11 ARG 107 1HH1 ARG 107 1.618 -5.849 7.368 836 HH12 ARG 107 2HH1 ARG 107 1.938 -4.556 6.097 837 HH21 ARG 107 1HH2 ARG 107 1.263 -2.013 8.250 838 HH22 ARG 107 2HH2 ARG 107 1.741 -2.569 6.566 839 H GLU 108 H GLU 108 1.291 -4.249 15.279 840 HA GLU 108 HA GLU 108 1.972 -7.135 16.154 841 HB2 GLU 108 1HB GLU 108 0.496 -4.923 17.745 842 HB3 GLU 108 2HB GLU 108 0.945 -6.501 18.337 843 HG2 GLU 108 1HG GLU 108 3.474 -5.688 17.703 844 HG3 GLU 108 2HG GLU 108 2.753 -4.101 17.779 845 H VAL 109 H VAL 109 -0.133 -7.983 17.456 846 HA VAL 109 HA VAL 109 -2.664 -7.163 16.171 847 HB VAL 109 HB VAL 109 -2.145 -9.104 14.822 848 HG11 VAL 109 1HG1 VAL 109 -2.220 -11.444 15.639 849 HG12 VAL 109 2HG1 VAL 109 -0.903 -10.549 16.432 850 HG13 VAL 109 3HG1 VAL 109 -2.398 -10.900 17.322 851 HG21 VAL 109 3HG2 VAL 109 -4.605 -9.638 16.570 852 HG22 VAL 109 1HG2 VAL 109 -4.529 -8.494 15.214 853 HG23 VAL 109 2HG2 VAL 109 -4.327 -10.231 14.919 854 H ASP 110 H ASP 110 -3.954 -6.593 17.737 855 HA ASP 110 HA ASP 110 -3.619 -7.774 20.511 856 HB2 ASP 110 1HB ASP 110 -4.791 -5.157 19.399 857 HB3 ASP 110 2HB ASP 110 -4.969 -5.602 21.066 858 H GLY 111 H GLY 111 -4.858 -9.510 18.905 859 HA2 GLY 111 1HA GLY 111 -6.750 -11.095 19.242 860 HA3 GLY 111 2HA GLY 111 -7.600 -9.878 20.171 861 H ASP 112 H ASP 112 -6.589 -10.740 16.931 862 HA ASP 112 HA ASP 112 -6.981 -9.723 14.831 863 HB2 ASP 112 1HB ASP 112 -9.705 -10.646 15.836 864 HB3 ASP 112 2HB ASP 112 -9.560 -9.929 14.251 865 H THR 113 H THR 113 -6.413 -7.681 16.387 866 HA THR 113 HA THR 113 -7.603 -5.504 14.748 867 HB THR 113 HB THR 113 -8.785 -5.226 16.833 868 HG1 THR 113 HG1 THR 113 -7.189 -2.987 16.712 869 HG21 THR 113 3HG2 THR 113 -6.207 -4.147 18.109 870 HG22 THR 113 1HG2 THR 113 -7.847 -4.138 18.776 871 HG23 THR 113 2HG2 THR 113 -6.963 -5.664 18.618 872 H MET 114 H MET 114 -5.941 -5.906 13.570 873 HA MET 114 HA MET 114 -3.222 -6.322 14.352 874 HB2 MET 114 1HB MET 114 -4.408 -5.751 11.599 875 HB3 MET 114 2HB MET 114 -2.692 -6.064 11.847 876 HG2 MET 114 1HG MET 114 -3.153 -8.245 12.937 877 HG3 MET 114 2HG MET 114 -4.906 -7.988 12.823 878 HE1 MET 114 3HE MET 114 -4.909 -10.358 11.959 879 HE2 MET 114 1HE MET 114 -4.209 -10.896 10.415 880 HE3 MET 114 2HE MET 114 -3.135 -10.520 11.785 881 H LYS 115 H LYS 115 -2.375 -4.896 15.545 882 HA LYS 115 HA LYS 115 -2.788 -1.982 15.184 883 HB2 LYS 115 1HB LYS 115 -2.988 -3.317 17.324 884 HB3 LYS 115 2HB LYS 115 -1.247 -3.520 17.349 885 HG2 LYS 115 1HG LYS 115 -1.134 -0.849 17.312 886 HG3 LYS 115 2HG LYS 115 -2.876 -0.906 17.556 887 HD2 LYS 115 1HD LYS 115 -1.983 -0.678 19.733 888 HD3 LYS 115 2HD LYS 115 -2.521 -2.333 19.641 889 HE2 LYS 115 1HE LYS 115 0.337 -2.182 18.758 890 HE3 LYS 115 2HE LYS 115 0.173 -1.258 20.238 891 HZ1 LYS 115 3HZ LYS 115 0.649 -3.817 20.438 892 HZ2 LYS 115 1HZ LYS 115 -0.648 -3.281 21.388 893 HZ3 LYS 115 2HZ LYS 115 -0.992 -4.057 20.025 894 H THR 116 H THR 116 -1.608 -1.104 13.646 895 HA THR 116 HA THR 116 1.422 -1.545 13.516 896 HB THR 116 HB THR 116 0.518 -2.758 11.853 897 HG1 THR 116 HG1 THR 116 2.417 -1.202 11.538 898 HG21 THR 116 3HG2 THR 116 -0.736 -0.320 10.472 899 HG22 THR 116 1HG2 THR 116 -0.666 -1.972 9.849 900 HG23 THR 116 2HG2 THR 116 -1.647 -1.611 11.272 901 H THR 117 H THR 117 1.943 -0.026 14.746 902 HA THR 117 HA THR 117 0.980 2.655 14.863 903 HB THR 117 HB THR 117 3.698 1.534 15.797 904 HG1 THR 117 HG1 THR 117 2.590 0.978 17.693 905 HG21 THR 117 3HG2 THR 117 3.403 4.002 16.306 906 HG22 THR 117 1HG2 THR 117 1.858 3.654 17.113 907 HG23 THR 117 2HG2 THR 117 3.384 3.036 17.788 908 H VAL 118 H VAL 118 1.156 4.024 13.027 909 HA VAL 118 HA VAL 118 3.819 4.101 11.647 910 HB VAL 118 HB VAL 118 2.090 3.764 10.277 911 HG11 VAL 118 1HG1 VAL 118 0.160 5.106 11.243 912 HG12 VAL 118 2HG1 VAL 118 0.893 6.568 10.533 913 HG13 VAL 118 3HG1 VAL 118 0.391 5.249 9.488 914 HG21 VAL 118 3HG2 VAL 118 3.073 6.577 9.491 915 HG22 VAL 118 1HG2 VAL 118 4.180 5.233 9.620 916 HG23 VAL 118 2HG2 VAL 118 2.833 5.151 8.457 917 H THR 119 H THR 119 5.218 5.028 12.914 918 HA THR 119 HA THR 119 4.769 7.936 13.756 919 HB THR 119 HB THR 119 5.406 6.499 15.593 920 HG1 THR 119 HG1 THR 119 7.415 7.551 16.127 921 HG21 THR 119 3HG2 THR 119 6.671 4.646 14.492 922 HG22 THR 119 1HG2 THR 119 7.984 5.749 14.080 923 HG23 THR 119 2HG2 THR 119 7.619 5.380 15.790 924 H VAL 120 H VAL 120 6.346 9.470 13.376 925 HA VAL 120 HA VAL 120 8.522 8.870 11.310 926 HB VAL 120 HB VAL 120 6.775 11.348 10.915 927 HG11 VAL 120 1HG1 VAL 120 9.083 11.447 9.938 928 HG12 VAL 120 2HG1 VAL 120 8.834 9.918 9.093 929 HG13 VAL 120 3HG1 VAL 120 7.876 11.335 8.636 930 HG21 VAL 120 3HG2 VAL 120 6.462 8.598 9.669 931 HG22 VAL 120 1HG2 VAL 120 5.274 9.521 10.597 932 HG23 VAL 120 2HG2 VAL 120 5.702 10.085 8.962 933 H GLY 121 H GLY 121 9.854 8.987 13.119 934 HA2 GLY 121 1HA GLY 121 11.044 9.946 14.982 935 HA3 GLY 121 2HA GLY 121 10.695 11.536 14.341 936 H ASP 122 H ASP 122 8.047 11.643 14.542 937 HA ASP 122 HA ASP 122 7.485 11.833 17.519 938 HB2 ASP 122 1HB ASP 122 7.534 14.367 17.337 939 HB3 ASP 122 2HB ASP 122 9.079 13.607 17.042 940 H VAL 123 H VAL 123 5.808 10.516 15.785 941 HA VAL 123 HA VAL 123 3.256 12.207 16.049 942 HB VAL 123 HB VAL 123 3.936 10.609 13.487 943 HG11 VAL 123 1HG1 VAL 123 1.391 12.184 14.359 944 HG12 VAL 123 2HG1 VAL 123 1.737 11.781 12.677 945 HG13 VAL 123 3HG1 VAL 123 1.474 10.484 13.852 946 HG21 VAL 123 3HG2 VAL 123 3.657 13.664 13.979 947 HG22 VAL 123 1HG2 VAL 123 5.138 12.799 13.521 948 HG23 VAL 123 2HG2 VAL 123 3.768 12.891 12.379 949 H THR 124 H THR 124 4.323 8.905 15.394 950 HA THR 124 HA THR 124 3.377 6.834 15.862 951 HB THR 124 HB THR 124 2.983 8.389 18.451 952 HG1 THR 124 HG1 THR 124 4.996 7.380 18.893 953 HG21 THR 124 3HG2 THR 124 3.182 6.352 19.753 954 HG22 THR 124 1HG2 THR 124 1.838 6.057 18.646 955 HG23 THR 124 2HG2 THR 124 3.437 5.352 18.319 956 H ALA 125 H ALA 125 1.775 6.880 14.261 957 HA ALA 125 HA ALA 125 -1.064 7.472 15.154 958 HB1 ALA 125 3HB ALA 125 0.330 7.104 12.463 959 HB2 ALA 125 1HB ALA 125 -1.426 7.159 12.543 960 HB3 ALA 125 2HB ALA 125 -0.438 8.536 13.102 961 H ILE 126 H ILE 126 -1.568 5.854 16.416 962 HA ILE 126 HA ILE 126 -0.850 3.124 16.049 963 HB ILE 126 HB ILE 126 -1.126 4.319 18.139 964 HG12 ILE 126 1HG1 ILE 126 -2.239 2.453 19.489 965 HG13 ILE 126 2HG1 ILE 126 -2.646 1.649 17.978 966 HG21 ILE 126 1HG2 ILE 126 -3.271 4.500 19.358 967 HG22 ILE 126 2HG2 ILE 126 -3.229 5.540 17.943 968 HG23 ILE 126 3HG2 ILE 126 -4.188 4.036 17.912 969 HD11 ILE 126 3HD1 ILE 126 0.243 2.525 18.738 970 HD12 ILE 126 1HD1 ILE 126 -0.414 0.924 19.096 971 HD13 ILE 126 2HD1 ILE 126 -0.234 1.440 17.408 972 H ARG 127 H ARG 127 -1.458 2.631 13.961 973 HA ARG 127 HA ARG 127 -4.213 2.698 13.079 974 HB2 ARG 127 1HB ARG 127 -2.006 1.105 11.713 975 HB3 ARG 127 2HB ARG 127 -3.589 1.494 11.059 976 HG2 ARG 127 1HG ARG 127 -3.086 3.928 11.071 977 HG3 ARG 127 2HG ARG 127 -1.504 3.642 11.774 978 HD2 ARG 127 1HD ARG 127 -2.436 2.508 9.042 979 HD3 ARG 127 2HD ARG 127 -1.520 4.004 9.284 980 HE ARG 127 HE ARG 127 -0.090 1.835 10.645 981 HH11 ARG 127 1HH1 ARG 127 -0.608 3.116 7.428 982 HH12 ARG 127 2HH1 ARG 127 1.050 2.523 6.886 983 HH21 ARG 127 1HH2 ARG 127 1.668 1.058 9.900 984 HH22 ARG 127 2HH2 ARG 127 2.243 1.462 8.207 985 H ASN 128 H ASN 128 -5.659 1.462 13.950 986 HA ASN 128 HA ASN 128 -5.247 -1.494 14.540 987 HB2 ASN 128 1HB ASN 128 -7.375 0.648 15.220 988 HB3 ASN 128 2HB ASN 128 -7.816 -1.024 15.297 989 HD21 ASN 128 1HD2 ASN 128 -6.237 1.427 17.132 990 HD22 ASN 128 2HD2 ASN 128 -5.712 0.235 18.415 991 H TYR 129 H TYR 129 -6.000 -3.018 13.209 992 HA TYR 129 HA TYR 129 -8.085 -2.371 11.062 993 HB2 TYR 129 1HB TYR 129 -5.415 -3.948 10.745 994 HB3 TYR 129 2HB TYR 129 -6.690 -4.044 9.580 995 HD1 TYR 129 HD1 TYR 129 -4.049 -1.808 10.948 996 HD2 TYR 129 HD2 TYR 129 -7.010 -2.336 7.860 997 HE1 TYR 129 HE1 TYR 129 -2.897 -0.147 9.522 998 HE2 TYR 129 HE2 TYR 129 -5.865 -0.671 6.485 999 HH TYR 129 HH TYR 129 -4.062 0.615 6.272 1000 H LYS 130 H LYS 130 -9.531 -3.921 10.612 1001 HA LYS 130 HA LYS 130 -9.468 -6.481 12.319 1002 HB2 LYS 130 1HB LYS 130 -11.852 -5.413 10.699 1003 HB3 LYS 130 2HB LYS 130 -11.827 -6.794 11.775 1004 HG2 LYS 130 1HG LYS 130 -11.635 -3.818 12.480 1005 HG3 LYS 130 2HG LYS 130 -12.972 -4.883 12.795 1006 HD2 LYS 130 1HD LYS 130 -10.182 -5.027 14.120 1007 HD3 LYS 130 2HD LYS 130 -11.553 -4.211 14.804 1008 HE2 LYS 130 1HE LYS 130 -11.456 -7.266 14.239 1009 HE3 LYS 130 2HE LYS 130 -10.961 -6.526 15.748 1010 HZ1 LYS 130 3HZ LYS 130 -13.259 -5.600 16.017 1011 HZ2 LYS 130 1HZ LYS 130 -13.753 -6.289 14.614 1012 HZ3 LYS 130 2HZ LYS 130 -13.328 -7.239 15.892 1013 H ARG 131 H ARG 131 -8.471 -8.065 11.274 1014 HA ARG 131 HA ARG 131 -8.208 -8.278 8.293 1015 HB2 ARG 131 1HB ARG 131 -6.393 -8.763 9.653 1016 HB3 ARG 131 2HB ARG 131 -7.197 -10.004 10.573 1017 HG2 ARG 131 1HG ARG 131 -6.997 -10.257 7.499 1018 HG3 ARG 131 2HG ARG 131 -5.573 -10.412 8.436 1019 HD2 ARG 131 1HD ARG 131 -8.090 -12.226 8.573 1020 HD3 ARG 131 2HD ARG 131 -6.562 -12.583 7.832 1021 HE ARG 131 HE ARG 131 -5.498 -13.053 9.949 1022 HH11 ARG 131 1HH1 ARG 131 -8.818 -11.956 10.491 1023 HH12 ARG 131 2HH1 ARG 131 -8.721 -12.459 12.268 1024 HH21 ARG 131 1HH2 ARG 131 -5.446 -13.432 11.969 1025 HH22 ARG 131 2HH2 ARG 131 -6.878 -13.001 13.052 1026 H LEU 132 H LEU 132 -9.973 -8.828 7.164 1027 HA LEU 132 HA LEU 132 -11.943 -10.854 8.292 1028 HB2 LEU 132 1HB LEU 132 -12.266 -8.662 6.193 1029 HB3 LEU 132 2HB LEU 132 -13.554 -9.742 6.765 1030 HG LEU 132 HG LEU 132 -12.054 -7.546 8.288 1031 HD11 LEU 132 1HD1 LEU 132 -14.334 -6.502 8.346 1032 HD12 LEU 132 2HD1 LEU 132 -13.876 -6.885 6.670 1033 HD13 LEU 132 3HD1 LEU 132 -15.034 -7.928 7.534 1034 HD21 LEU 132 3HD2 LEU 132 -12.454 -9.296 9.995 1035 HD22 LEU 132 1HD2 LEU 132 -13.617 -7.989 10.244 1036 HD23 LEU 132 2HD2 LEU 132 -14.147 -9.504 9.477 1037 H SER 133 H SER 133 -11.963 -12.672 7.426 1038 HA SER 133 HA SER 133 -10.558 -13.302 4.769 1039 HB2 SER 133 1HB SER 133 -10.292 -15.593 5.587 1040 HB3 SER 133 2HB SER 133 -9.648 -14.431 6.746 1041 HG SER 133 HG SER 133 -10.930 -16.066 7.734 1042 HXT SER 133 HXT SER 133 -13.026 -15.008 5.182 Start of MODEL 4 1 H1 MET 1 1H MET 1 -1.220 -11.720 5.335 2 H2 MET 1 2H MET 1 -1.513 -12.300 6.835 3 HA MET 1 HA MET 1 0.839 -10.720 6.016 4 HB2 MET 1 1HB MET 1 -0.106 -10.619 8.475 5 HB3 MET 1 2HB MET 1 0.561 -12.217 8.678 6 HG2 MET 1 1HG MET 1 2.254 -10.696 9.457 7 HG3 MET 1 2HG MET 1 2.854 -11.162 7.852 8 HE1 MET 1 3HE MET 1 0.246 -8.417 9.451 9 HE2 MET 1 1HE MET 1 1.859 -8.348 10.210 10 HE3 MET 1 2HE MET 1 1.306 -7.010 9.167 11 H SER 2 H SER 2 0.677 -13.953 7.622 12 HA SER 2 HA SER 2 0.613 -15.163 4.895 13 HB2 SER 2 1HB SER 2 2.384 -16.973 5.560 14 HB3 SER 2 2HB SER 2 2.873 -15.409 4.931 15 HG SER 2 HG SER 2 2.779 -15.942 7.789 16 H SER 3 H SER 3 0.725 -16.443 8.302 17 HA SER 3 HA SER 3 -1.603 -18.175 7.742 18 HB2 SER 3 1HB SER 3 0.004 -18.480 9.667 19 HB3 SER 3 2HB SER 3 -0.728 -17.088 10.481 20 HG SER 3 HG SER 3 -2.801 -18.301 10.115 21 H PHE 4 H PHE 4 -1.502 -14.769 8.751 22 HA PHE 4 HA PHE 4 -4.556 -14.770 8.885 23 HB2 PHE 4 1HB PHE 4 -4.622 -12.878 10.242 24 HB3 PHE 4 2HB PHE 4 -3.733 -14.168 10.981 25 HD1 PHE 4 HD1 PHE 4 -1.126 -13.961 11.175 26 HD2 PHE 4 HD2 PHE 4 -3.651 -10.663 10.010 27 HE1 PHE 4 HE1 PHE 4 0.618 -12.376 11.844 28 HE2 PHE 4 HE2 PHE 4 -1.915 -9.097 10.726 29 HZ PHE 4 HZ PHE 4 0.226 -9.932 11.669 30 H LEU 5 H LEU 5 -3.624 -14.897 6.435 31 HA LEU 5 HA LEU 5 -3.626 -12.375 4.936 32 HB2 LEU 5 1HB LEU 5 -4.450 -15.218 4.143 33 HB3 LEU 5 2HB LEU 5 -4.331 -13.886 3.013 34 HG LEU 5 HG LEU 5 -1.950 -14.725 4.788 35 HD11 LEU 5 1HD1 LEU 5 -2.657 -15.696 1.943 36 HD12 LEU 5 2HD1 LEU 5 -1.110 -15.985 2.785 37 HD13 LEU 5 3HD1 LEU 5 -2.605 -16.674 3.425 38 HD21 LEU 5 3HD2 LEU 5 -1.824 -12.391 3.717 39 HD22 LEU 5 1HD2 LEU 5 -0.551 -13.498 3.265 40 HD23 LEU 5 2HD2 LEU 5 -1.861 -13.170 2.135 41 H GLY 6 H GLY 6 -5.200 -11.140 4.226 42 HA2 GLY 6 1HA GLY 6 -7.991 -11.674 3.818 43 HA3 GLY 6 2HA GLY 6 -7.871 -11.166 5.517 44 H LYS 7 H LYS 7 -9.444 -9.756 4.203 45 HA LYS 7 HA LYS 7 -8.092 -7.241 3.224 46 HB2 LYS 7 1HB LYS 7 -10.144 -6.262 2.595 47 HB3 LYS 7 2HB LYS 7 -9.922 -7.804 1.842 48 HG2 LYS 7 1HG LYS 7 -11.493 -8.487 4.113 49 HG3 LYS 7 2HG LYS 7 -12.017 -6.859 3.783 50 HD2 LYS 7 1HD LYS 7 -13.540 -8.291 2.628 51 HD3 LYS 7 2HD LYS 7 -12.578 -7.497 1.403 52 HE2 LYS 7 1HE LYS 7 -12.831 -9.784 0.706 53 HE3 LYS 7 2HE LYS 7 -11.141 -9.588 1.144 54 HZ1 LYS 7 3HZ LYS 7 -11.848 -11.621 2.234 55 HZ2 LYS 7 1HZ LYS 7 -11.902 -10.542 3.486 56 HZ3 LYS 7 2HZ LYS 7 -13.275 -11.014 2.765 57 H TRP 8 H TRP 8 -7.908 -5.426 4.449 58 HA TRP 8 HA TRP 8 -8.780 -5.696 7.358 59 HB2 TRP 8 1HB TRP 8 -6.066 -4.622 6.330 60 HB3 TRP 8 2HB TRP 8 -6.551 -4.764 8.016 61 HD1 TRP 8 HD1 TRP 8 -7.516 -8.157 7.156 62 HE1 TRP 8 HE1 TRP 8 -5.580 -9.952 7.292 63 HE3 TRP 8 HE3 TRP 8 -3.575 -4.874 6.976 64 HZ2 TRP 8 HZ2 TRP 8 -2.801 -9.800 7.467 65 HZ3 TRP 8 HZ3 TRP 8 -1.265 -5.814 7.126 66 HH2 TRP 8 HH2 TRP 8 -0.898 -8.221 7.341 67 H LYS 9 H LYS 9 -9.989 -3.914 7.905 68 HA LYS 9 HA LYS 9 -9.492 -1.324 6.389 69 HB2 LYS 9 1HB LYS 9 -11.764 -0.741 6.147 70 HB3 LYS 9 2HB LYS 9 -11.339 -2.176 5.275 71 HG2 LYS 9 1HG LYS 9 -13.530 -2.490 6.020 72 HG3 LYS 9 2HG LYS 9 -12.521 -3.629 6.870 73 HD2 LYS 9 1HD LYS 9 -14.301 -2.772 8.295 74 HD3 LYS 9 2HD LYS 9 -12.725 -2.496 8.969 75 HE2 LYS 9 1HE LYS 9 -14.126 -0.609 9.464 76 HE3 LYS 9 2HE LYS 9 -12.806 -0.071 8.453 77 HZ1 LYS 9 3HZ LYS 9 -14.205 0.416 6.698 78 HZ2 LYS 9 1HZ LYS 9 -15.284 -0.809 6.986 79 HZ3 LYS 9 2HZ LYS 9 -15.341 0.586 7.868 80 H LEU 10 H LEU 10 -9.585 0.472 7.516 81 HA LEU 10 HA LEU 10 -8.714 0.408 10.126 82 HB2 LEU 10 1HB LEU 10 -8.460 2.243 8.374 83 HB3 LEU 10 2HB LEU 10 -10.053 2.840 8.821 84 HG LEU 10 HG LEU 10 -9.121 3.095 11.255 85 HD11 LEU 10 1HD1 LEU 10 -6.400 2.886 9.783 86 HD12 LEU 10 2HD1 LEU 10 -6.664 3.359 11.477 87 HD13 LEU 10 3HD1 LEU 10 -6.999 1.703 10.963 88 HD21 LEU 10 3HD2 LEU 10 -8.047 5.288 10.669 89 HD22 LEU 10 1HD2 LEU 10 -7.983 4.824 8.957 90 HD23 LEU 10 2HD2 LEU 10 -9.551 5.038 9.768 91 H SER 11 H SER 11 -9.465 0.364 12.091 92 HA SER 11 HA SER 11 -12.423 0.342 12.675 93 HB2 SER 11 1HB SER 11 -10.947 -1.611 13.352 94 HB3 SER 11 2HB SER 11 -10.106 -0.560 14.486 95 HG SER 11 HG SER 11 -12.247 -0.109 15.401 96 H GLU 12 H GLU 12 -9.400 1.945 13.709 97 HA GLU 12 HA GLU 12 -10.936 4.336 14.587 98 HB2 GLU 12 1HB GLU 12 -9.831 4.613 16.808 99 HB3 GLU 12 2HB GLU 12 -11.042 3.350 16.728 100 HG2 GLU 12 1HG GLU 12 -9.455 1.586 16.740 101 HG3 GLU 12 2HG GLU 12 -8.065 2.633 16.430 102 H SER 13 H SER 13 -9.943 6.108 14.117 103 HA SER 13 HA SER 13 -7.059 6.157 13.114 104 HB2 SER 13 1HB SER 13 -8.764 7.170 11.669 105 HB3 SER 13 2HB SER 13 -9.393 8.176 12.979 106 HG SER 13 HG SER 13 -7.433 9.274 13.051 107 H HIS 14 H HIS 14 -6.175 5.818 15.247 108 HA HIS 14 HA HIS 14 -7.034 7.497 17.461 109 HB2 HIS 14 1HB HIS 14 -6.319 5.041 17.461 110 HB3 HIS 14 2HB HIS 14 -4.656 5.577 17.495 111 HD1 HIS 14 HD1 HIS 14 -7.450 4.555 19.628 112 HD2 HIS 14 HD2 HIS 14 -4.370 7.590 19.946 113 HE1 HIS 14 HE1 HIS 14 -7.104 5.246 22.103 114 HE2 HIS 14 HE2 HIS 14 -5.308 7.095 22.392 115 H ASN 15 H ASN 15 -3.806 7.574 15.946 116 HA ASN 15 HA ASN 15 -4.001 10.542 16.408 117 HB2 ASN 15 1HB ASN 15 -1.210 9.317 16.610 118 HB3 ASN 15 2HB ASN 15 -1.707 10.968 16.838 119 HD21 ASN 15 1HD2 ASN 15 -0.474 8.604 18.556 120 HD22 ASN 15 2HD2 ASN 15 -1.279 9.050 20.146 121 H PHE 16 H PHE 16 -4.650 8.751 14.229 122 HA PHE 16 HA PHE 16 -2.582 9.157 12.107 123 HB2 PHE 16 1HB PHE 16 -3.682 6.999 12.623 124 HB3 PHE 16 2HB PHE 16 -5.268 7.670 12.325 125 HD1 PHE 16 HD1 PHE 16 -1.982 7.373 10.444 126 HD2 PHE 16 HD2 PHE 16 -6.247 6.887 10.353 127 HE1 PHE 16 HE1 PHE 16 -1.835 6.440 8.142 128 HE2 PHE 16 HE2 PHE 16 -6.084 5.865 8.126 129 HZ PHE 16 HZ PHE 16 -3.919 5.647 6.996 130 H ASP 17 H ASP 17 -3.028 11.544 12.418 131 HA ASP 17 HA ASP 17 -4.851 12.522 10.193 132 HB2 ASP 17 1HB ASP 17 -5.844 12.759 12.492 133 HB3 ASP 17 2HB ASP 17 -4.521 13.830 12.913 134 H ALA 18 H ALA 18 -2.265 13.746 12.299 135 HA ALA 18 HA ALA 18 -1.187 15.534 10.083 136 HB1 ALA 18 3HB ALA 18 -1.319 16.252 12.637 137 HB2 ALA 18 1HB ALA 18 0.010 15.068 12.912 138 HB3 ALA 18 2HB ALA 18 0.255 16.479 11.858 139 H VAL 19 H VAL 19 -0.503 12.436 11.306 140 HA VAL 19 HA VAL 19 2.330 12.132 10.828 141 HB VAL 19 HB VAL 19 0.761 10.613 12.077 142 HG11 VAL 19 1HG1 VAL 19 -0.375 8.775 11.105 143 HG12 VAL 19 2HG1 VAL 19 -1.028 10.282 10.426 144 HG13 VAL 19 3HG1 VAL 19 0.047 9.246 9.440 145 HG21 VAL 19 3HG2 VAL 19 3.125 10.068 11.655 146 HG22 VAL 19 1HG2 VAL 19 2.126 8.626 11.733 147 HG23 VAL 19 2HG2 VAL 19 2.701 9.221 10.151 148 H MET 20 H MET 20 -0.286 11.912 8.587 149 HA MET 20 HA MET 20 1.447 11.299 6.204 150 HB2 MET 20 1HB MET 20 -1.552 12.040 6.449 151 HB3 MET 20 2HB MET 20 -0.742 11.971 4.900 152 HG2 MET 20 1HG MET 20 -0.153 9.542 5.265 153 HG3 MET 20 2HG MET 20 -1.036 9.570 6.806 154 HE1 MET 20 3HE MET 20 -2.512 7.534 5.733 155 HE2 MET 20 1HE MET 20 -3.411 7.688 4.196 156 HE3 MET 20 2HE MET 20 -1.625 7.690 4.188 157 H SER 21 H SER 21 -0.298 14.095 7.531 158 HA SER 21 HA SER 21 0.518 16.057 5.578 159 HB2 SER 21 1HB SER 21 -0.549 17.594 7.180 160 HB3 SER 21 2HB SER 21 -1.198 16.092 7.782 161 HG SER 21 HG SER 21 0.711 16.103 9.232 162 H LYS 22 H LYS 22 2.249 15.099 8.483 163 HA LYS 22 HA LYS 22 4.485 16.973 8.077 164 HB2 LYS 22 1HB LYS 22 5.268 16.288 10.083 165 HB3 LYS 22 2HB LYS 22 3.593 15.828 10.251 166 HG2 LYS 22 1HG LYS 22 4.482 13.913 11.059 167 HG3 LYS 22 2HG LYS 22 4.376 13.434 9.387 168 HD2 LYS 22 1HD LYS 22 6.548 12.875 9.515 169 HD3 LYS 22 2HD LYS 22 6.940 14.559 9.339 170 HE2 LYS 22 1HE LYS 22 6.646 13.011 12.007 171 HE3 LYS 22 2HE LYS 22 8.151 13.367 11.189 172 HZ1 LYS 22 3HZ LYS 22 7.706 15.827 11.635 173 HZ2 LYS 22 1HZ LYS 22 6.377 15.385 12.538 174 HZ3 LYS 22 2HZ LYS 22 7.839 14.874 13.004 175 H LEU 23 H LEU 23 3.851 13.863 6.753 176 HA LEU 23 HA LEU 23 6.507 13.521 5.413 177 HB2 LEU 23 1HB LEU 23 4.557 11.674 5.867 178 HB3 LEU 23 2HB LEU 23 3.854 12.350 4.425 179 HG LEU 23 HG LEU 23 6.363 12.012 3.424 180 HD11 LEU 23 1HD1 LEU 23 6.236 9.758 5.549 181 HD12 LEU 23 2HD1 LEU 23 7.552 10.115 4.406 182 HD13 LEU 23 3HD1 LEU 23 7.221 11.216 5.752 183 HD21 LEU 23 3HD2 LEU 23 5.664 9.742 2.600 184 HD22 LEU 23 1HD2 LEU 23 4.372 9.669 3.814 185 HD23 LEU 23 2HD2 LEU 23 4.311 10.884 2.515 186 H GLY 24 H GLY 24 3.357 15.007 4.666 187 HA2 GLY 24 1HA GLY 24 3.427 17.200 3.428 188 HA3 GLY 24 2HA GLY 24 4.673 16.571 2.372 189 H VAL 25 H VAL 25 1.399 15.656 3.383 190 HA VAL 25 HA VAL 25 0.915 14.434 0.688 191 HB VAL 25 HB VAL 25 -0.323 14.024 3.465 192 HG11 VAL 25 1HG1 VAL 25 -0.812 12.314 0.927 193 HG12 VAL 25 2HG1 VAL 25 -1.420 11.979 2.574 194 HG13 VAL 25 3HG1 VAL 25 -2.017 13.375 1.671 195 HG21 VAL 25 3HG2 VAL 25 0.937 11.796 3.313 196 HG22 VAL 25 1HG2 VAL 25 1.617 12.296 1.740 197 HG23 VAL 25 2HG2 VAL 25 2.021 13.197 3.222 198 H SER 26 H SER 26 -0.663 14.878 -0.656 199 HA SER 26 HA SER 26 -1.818 17.430 -0.796 200 HB2 SER 26 1HB SER 26 -2.843 14.867 -2.194 201 HB3 SER 26 2HB SER 26 -3.258 16.514 -2.678 202 HG SER 26 HG SER 26 -0.673 15.247 -2.698 203 H TRP 27 H TRP 27 -3.830 18.367 -0.624 204 HA TRP 27 HA TRP 27 -5.505 17.423 1.633 205 HB2 TRP 27 1HB TRP 27 -5.652 19.964 -0.086 206 HB3 TRP 27 2HB TRP 27 -6.756 19.621 1.241 207 HD1 TRP 27 HD1 TRP 27 -2.919 20.440 0.700 208 HE1 TRP 27 HE1 TRP 27 -1.701 20.898 2.981 209 HE3 TRP 27 HE3 TRP 27 -6.896 19.333 3.753 210 HZ2 TRP 27 HZ2 TRP 27 -2.475 20.644 5.706 211 HZ3 TRP 27 HZ3 TRP 27 -6.546 19.326 6.191 212 HH2 TRP 27 HH2 TRP 27 -4.380 19.995 7.171 213 H ALA 28 H ALA 28 -5.904 15.576 0.432 214 HA ALA 28 HA ALA 28 -8.731 15.055 -0.206 215 HB1 ALA 28 3HB ALA 28 -8.398 14.262 -2.576 216 HB2 ALA 28 1HB ALA 28 -8.137 16.010 -2.452 217 HB3 ALA 28 2HB ALA 28 -6.743 14.919 -2.590 218 H THR 29 H THR 29 -5.400 13.850 -0.776 219 HA THR 29 HA THR 29 -6.035 11.049 0.096 220 HB THR 29 HB THR 29 -3.468 10.777 0.094 221 HG1 THR 29 HG1 THR 29 -2.442 12.471 -1.204 222 HG21 THR 29 3HG2 THR 29 -3.217 10.736 -2.327 223 HG22 THR 29 1HG2 THR 29 -4.841 10.130 -1.888 224 HG23 THR 29 2HG2 THR 29 -4.655 11.785 -2.536 225 H ARG 30 H ARG 30 -4.621 13.861 1.583 226 HA ARG 30 HA ARG 30 -4.002 12.589 4.178 227 HB2 ARG 30 1HB ARG 30 -3.075 14.775 3.119 228 HB3 ARG 30 2HB ARG 30 -4.557 15.563 3.531 229 HG2 ARG 30 1HG ARG 30 -2.968 14.113 5.757 230 HG3 ARG 30 2HG ARG 30 -2.246 15.490 4.974 231 HD2 ARG 30 1HD ARG 30 -3.238 16.367 6.874 232 HD3 ARG 30 2HD ARG 30 -4.273 16.925 5.549 233 HE ARG 30 HE ARG 30 -5.569 14.541 6.298 234 HH11 ARG 30 1HH1 ARG 30 -4.356 16.994 8.465 235 HH12 ARG 30 2HH1 ARG 30 -5.331 16.237 9.843 236 HH21 ARG 30 1HH2 ARG 30 -6.743 13.905 7.769 237 HH22 ARG 30 2HH2 ARG 30 -6.702 14.711 9.414 238 H GLN 31 H GLN 31 -6.900 13.340 2.620 239 HA GLN 31 HA GLN 31 -8.586 13.534 5.152 240 HB2 GLN 31 1HB GLN 31 -9.209 14.272 2.223 241 HB3 GLN 31 2HB GLN 31 -10.484 13.890 3.351 242 HG2 GLN 31 1HG GLN 31 -10.463 16.154 3.499 243 HG3 GLN 31 2HG GLN 31 -9.600 15.724 4.947 244 HE21 GLN 31 1HE2 GLN 31 -7.041 15.590 4.281 245 HE22 GLN 31 2HE2 GLN 31 -6.527 17.175 3.514 246 H ILE 32 H ILE 32 -8.317 11.664 2.086 247 HA ILE 32 HA ILE 32 -10.384 9.635 2.783 248 HB ILE 32 HB ILE 32 -8.231 9.930 0.656 249 HG12 ILE 32 1HG1 ILE 32 -11.228 9.367 0.197 250 HG13 ILE 32 2HG1 ILE 32 -10.743 10.971 0.723 251 HG21 ILE 32 1HG2 ILE 32 -8.893 7.880 -0.521 252 HG22 ILE 32 2HG2 ILE 32 -8.178 7.463 1.035 253 HG23 ILE 32 3HG2 ILE 32 -9.937 7.367 0.816 254 HD11 ILE 32 3HD1 ILE 32 -9.820 9.625 -1.854 255 HD12 ILE 32 1HD1 ILE 32 -10.892 11.021 -1.656 256 HD13 ILE 32 2HD1 ILE 32 -9.160 11.161 -1.233 257 H GLY 33 H GLY 33 -6.978 9.853 3.234 258 HA2 GLY 33 1HA GLY 33 -6.157 7.332 4.448 259 HA3 GLY 33 2HA GLY 33 -5.615 8.893 5.031 260 H ASN 34 H ASN 34 -7.383 10.061 6.494 261 HA ASN 34 HA ASN 34 -8.727 8.007 8.276 262 HB2 ASN 34 1HB ASN 34 -8.532 9.439 10.053 263 HB3 ASN 34 2HB ASN 34 -6.974 9.403 9.269 264 HD21 ASN 34 1HD2 ASN 34 -8.345 11.292 11.074 265 HD22 ASN 34 2HD2 ASN 34 -7.847 12.898 10.359 266 H THR 35 H THR 35 -10.077 8.323 5.990 267 HA THR 35 HA THR 35 -12.748 9.304 7.032 268 HB THR 35 HB THR 35 -11.651 10.227 4.327 269 HG1 THR 35 HG1 THR 35 -10.812 11.470 5.839 270 HG21 THR 35 3HG2 THR 35 -14.348 10.913 5.644 271 HG22 THR 35 1HG2 THR 35 -13.688 11.605 4.144 272 HG23 THR 35 2HG2 THR 35 -14.144 9.892 4.197 273 H VAL 36 H VAL 36 -11.339 7.933 3.994 274 HA VAL 36 HA VAL 36 -13.678 6.018 4.000 275 HB VAL 36 HB VAL 36 -11.774 6.558 1.664 276 HG11 VAL 36 1HG1 VAL 36 -13.571 5.389 0.351 277 HG12 VAL 36 2HG1 VAL 36 -13.119 4.341 1.699 278 HG13 VAL 36 3HG1 VAL 36 -14.618 5.290 1.778 279 HG21 VAL 36 3HG2 VAL 36 -13.996 7.823 0.784 280 HG22 VAL 36 1HG2 VAL 36 -14.281 8.069 2.548 281 HG23 VAL 36 2HG2 VAL 36 -12.802 8.666 1.788 282 H THR 37 H THR 37 -13.106 4.522 5.278 283 HA THR 37 HA THR 37 -10.880 4.023 6.512 284 HB THR 37 HB THR 37 -11.683 1.926 7.392 285 HG1 THR 37 HG1 THR 37 -12.378 1.371 5.066 286 HG21 THR 37 3HG2 THR 37 -13.578 2.766 8.425 287 HG22 THR 37 1HG2 THR 37 -13.135 4.273 7.572 288 HG23 THR 37 2HG2 THR 37 -14.367 3.221 6.891 289 HA PRO 38 HA PRO 38 -8.081 2.556 3.241 290 HB2 PRO 38 1HB PRO 38 -5.873 1.796 5.017 291 HB3 PRO 38 2HB PRO 38 -6.083 3.175 3.926 292 HG2 PRO 38 1HG PRO 38 -6.739 2.971 6.886 293 HG3 PRO 38 2HG PRO 38 -6.224 4.408 5.972 294 HD2 PRO 38 1HD PRO 38 -8.789 4.135 6.782 295 HD3 PRO 38 2HD PRO 38 -8.487 4.785 5.145 296 H THR 39 H THR 39 -8.830 0.840 2.230 297 HA THR 39 HA THR 39 -9.192 -1.771 3.461 298 HB THR 39 HB THR 39 -9.289 -1.049 0.487 299 HG1 THR 39 HG1 THR 39 -10.880 0.113 0.755 300 HG21 THR 39 3HG2 THR 39 -10.965 -3.060 2.132 301 HG22 THR 39 1HG2 THR 39 -11.279 -2.599 0.445 302 HG23 THR 39 2HG2 THR 39 -9.783 -3.448 0.848 303 H VAL 40 H VAL 40 -6.858 -1.815 4.046 304 HA VAL 40 HA VAL 40 -4.844 -2.352 1.922 305 HB VAL 40 HB VAL 40 -3.121 -2.412 3.703 306 HG11 VAL 40 1HG1 VAL 40 -3.174 0.046 4.068 307 HG12 VAL 40 2HG1 VAL 40 -3.693 -0.348 2.418 308 HG13 VAL 40 3HG1 VAL 40 -4.902 0.107 3.632 309 HG21 VAL 40 3HG2 VAL 40 -5.399 -1.606 5.642 310 HG22 VAL 40 1HG2 VAL 40 -4.402 -3.056 5.766 311 HG23 VAL 40 2HG2 VAL 40 -3.668 -1.452 5.983 312 H THR 41 H THR 41 -5.450 -4.158 1.065 313 HA THR 41 HA THR 41 -6.322 -6.435 2.705 314 HB THR 41 HB THR 41 -6.668 -5.594 -0.198 315 HG1 THR 41 HG1 THR 41 -7.744 -4.300 1.137 316 HG21 THR 41 3HG2 THR 41 -8.761 -7.141 -0.030 317 HG22 THR 41 1HG2 THR 41 -7.221 -7.768 -0.578 318 HG23 THR 41 2HG2 THR 41 -7.756 -8.123 1.080 319 H PHE 42 H PHE 42 -4.950 -7.949 3.266 320 HA PHE 42 HA PHE 42 -2.383 -8.228 1.637 321 HB2 PHE 42 1HB PHE 42 -2.640 -7.523 4.283 322 HB3 PHE 42 2HB PHE 42 -2.650 -9.234 4.518 323 HD1 PHE 42 HD1 PHE 42 -0.562 -10.389 2.799 324 HD2 PHE 42 HD2 PHE 42 -0.585 -6.584 4.793 325 HE1 PHE 42 HE1 PHE 42 1.870 -10.552 3.173 326 HE2 PHE 42 HE2 PHE 42 1.851 -6.754 5.144 327 HZ PHE 42 HZ PHE 42 3.075 -8.752 4.354 328 H THR 43 H THR 43 -2.729 -9.759 0.254 329 HA THR 43 HA THR 43 -3.838 -12.470 1.131 330 HB THR 43 HB THR 43 -5.189 -12.480 -0.926 331 HG1 THR 43 HG1 THR 43 -4.023 -9.929 -1.371 332 HG21 THR 43 3HG2 THR 43 -5.780 -9.674 0.150 333 HG22 THR 43 1HG2 THR 43 -6.910 -10.951 -0.338 334 HG23 THR 43 2HG2 THR 43 -6.015 -11.055 1.216 335 H MET 44 H MET 44 -2.978 -14.289 0.170 336 HA MET 44 HA MET 44 -0.413 -14.103 -1.266 337 HB2 MET 44 1HB MET 44 -1.014 -15.928 0.319 338 HB3 MET 44 2HB MET 44 -2.192 -16.572 -0.829 339 HG2 MET 44 1HG MET 44 -0.243 -16.947 -2.488 340 HG3 MET 44 2HG MET 44 0.878 -16.394 -1.242 341 HE1 MET 44 3HE MET 44 0.653 -17.529 1.366 342 HE2 MET 44 1HE MET 44 0.979 -19.286 1.293 343 HE3 MET 44 2HE MET 44 1.993 -18.155 0.355 344 H ASP 45 H ASP 45 -0.100 -13.705 -3.356 345 HA ASP 45 HA ASP 45 -2.174 -14.524 -5.464 346 HB2 ASP 45 1HB ASP 45 -1.559 -12.064 -5.329 347 HB3 ASP 45 2HB ASP 45 0.101 -12.466 -5.769 348 H GLY 46 H GLY 46 -1.570 -16.628 -5.370 349 HA2 GLY 46 1HA GLY 46 -0.495 -18.525 -6.471 350 HA3 GLY 46 2HA GLY 46 0.771 -17.482 -7.070 351 H ASP 47 H ASP 47 2.134 -16.610 -5.239 352 HA ASP 47 HA ASP 47 2.905 -18.772 -3.242 353 HB2 ASP 47 1HB ASP 47 4.900 -17.583 -5.289 354 HB3 ASP 47 2HB ASP 47 5.390 -18.402 -3.815 355 H LYS 48 H LYS 48 3.694 -15.451 -4.356 356 HA LYS 48 HA LYS 48 4.360 -14.702 -1.478 357 HB2 LYS 48 1HB LYS 48 5.724 -13.062 -2.192 358 HB3 LYS 48 2HB LYS 48 6.076 -14.405 -3.248 359 HG2 LYS 48 1HG LYS 48 4.651 -13.169 -5.077 360 HG3 LYS 48 2HG LYS 48 4.484 -11.854 -3.927 361 HD2 LYS 48 1HD LYS 48 6.325 -11.008 -4.910 362 HD3 LYS 48 2HD LYS 48 7.209 -11.995 -3.801 363 HE2 LYS 48 1HE LYS 48 6.493 -12.825 -6.698 364 HE3 LYS 48 2HE LYS 48 8.007 -12.068 -6.200 365 HZ1 LYS 48 2HZ LYS 48 8.163 -14.503 -6.344 366 HZ3 LYS 48 1HZ LYS 48 7.028 -14.691 -5.191 367 H MET 49 H MET 49 3.858 -12.108 -1.275 368 HA MET 49 HA MET 49 0.831 -12.372 -1.015 369 HB2 MET 49 1HB MET 49 2.769 -11.078 0.988 370 HB3 MET 49 2HB MET 49 1.012 -11.149 1.097 371 HG2 MET 49 1HG MET 49 1.678 -12.921 2.490 372 HG3 MET 49 2HG MET 49 1.214 -13.763 1.008 373 HE1 MET 49 3HE MET 49 4.203 -16.044 1.713 374 HE2 MET 49 1HE MET 49 2.658 -15.628 2.514 375 HE3 MET 49 2HE MET 49 2.715 -15.881 0.743 376 H THR 50 H THR 50 -0.489 -10.623 -1.169 377 HA THR 50 HA THR 50 0.693 -8.152 -2.513 378 HB THR 50 HB THR 50 -1.859 -9.716 -3.296 379 HG1 THR 50 HG1 THR 50 0.083 -10.847 -3.694 380 HG21 THR 50 3HG2 THR 50 -1.810 -7.257 -4.068 381 HG22 THR 50 1HG2 THR 50 -0.276 -7.595 -4.892 382 HG23 THR 50 2HG2 THR 50 -1.743 -8.434 -5.405 383 H MET 51 H MET 51 0.026 -6.326 -1.684 384 HA MET 51 HA MET 51 -2.422 -6.141 0.105 385 HB2 MET 51 1HB MET 51 -0.321 -4.020 -0.500 386 HB3 MET 51 2HB MET 51 -1.911 -3.601 0.092 387 HG2 MET 51 1HG MET 51 -1.581 -5.143 2.103 388 HG3 MET 51 2HG MET 51 0.109 -5.321 1.630 389 HE1 MET 51 3HE MET 51 1.520 -1.660 2.019 390 HE2 MET 51 1HE MET 51 1.764 -3.275 1.290 391 HE3 MET 51 2HE MET 51 0.752 -2.063 0.463 392 H LEU 52 H LEU 52 -4.138 -6.288 -1.140 393 HA LEU 52 HA LEU 52 -4.455 -4.739 -3.705 394 HB2 LEU 52 1HB LEU 52 -6.544 -6.434 -2.229 395 HB3 LEU 52 2HB LEU 52 -6.644 -5.869 -3.873 396 HG LEU 52 HG LEU 52 -4.428 -7.784 -2.872 397 HD11 LEU 52 1HD1 LEU 52 -5.636 -9.652 -3.754 398 HD12 LEU 52 2HD1 LEU 52 -6.698 -8.846 -2.594 399 HD13 LEU 52 3HD1 LEU 52 -6.998 -8.640 -4.338 400 HD21 LEU 52 3HD2 LEU 52 -5.363 -7.061 -5.736 401 HD22 LEU 52 1HD2 LEU 52 -3.821 -6.624 -4.950 402 HD23 LEU 52 2HD2 LEU 52 -4.172 -8.320 -5.325 403 H THR 53 H THR 53 -3.929 -2.842 -2.365 404 HA THR 53 HA THR 53 -5.634 -1.679 -0.390 405 HB THR 53 HB THR 53 -3.521 -0.458 -2.231 406 HG1 THR 53 HG1 THR 53 -2.295 -0.710 -0.375 407 HG21 THR 53 3HG2 THR 53 -4.893 1.418 -1.279 408 HG22 THR 53 1HG2 THR 53 -4.777 0.710 0.347 409 HG23 THR 53 2HG2 THR 53 -3.313 1.342 -0.474 410 H GLU 54 H GLU 54 -7.670 -1.392 -0.810 411 HA GLU 54 HA GLU 54 -8.601 0.119 -3.267 412 HB2 GLU 54 1HB GLU 54 -9.726 -2.218 -1.624 413 HB3 GLU 54 2HB GLU 54 -10.820 -1.263 -2.599 414 HG2 GLU 54 1HG GLU 54 -8.325 -2.720 -3.680 415 HG3 GLU 54 2HG GLU 54 -9.984 -3.292 -3.773 416 H SER 55 H SER 55 -8.131 2.061 -2.207 417 HA SER 55 HA SER 55 -10.381 3.134 -0.411 418 HB2 SER 55 1HB SER 55 -7.432 3.964 -0.834 419 HB3 SER 55 2HB SER 55 -8.576 5.154 -0.255 420 HG SER 55 HG SER 55 -9.064 3.889 1.510 421 H THR 56 H THR 56 -11.145 5.349 -0.971 422 HA THR 56 HA THR 56 -11.982 5.752 -3.608 423 HB THR 56 HB THR 56 -11.627 7.881 -1.447 424 HG1 THR 56 HG1 THR 56 -14.001 6.677 -2.304 425 HG21 THR 56 3HG2 THR 56 -12.112 9.107 -3.593 426 HG22 THR 56 1HG2 THR 56 -13.450 8.003 -3.950 427 HG23 THR 56 2HG2 THR 56 -13.531 9.089 -2.540 428 H PHE 57 H PHE 57 -8.983 7.156 -2.416 429 HA PHE 57 HA PHE 57 -8.350 8.204 -5.221 430 HB2 PHE 57 1HB PHE 57 -7.607 9.167 -2.448 431 HB3 PHE 57 2HB PHE 57 -6.268 9.039 -3.486 432 HD1 PHE 57 HD1 PHE 57 -9.879 10.169 -4.133 433 HD2 PHE 57 HD2 PHE 57 -5.695 11.169 -4.415 434 HE1 PHE 57 HE1 PHE 57 -10.458 12.356 -5.034 435 HE2 PHE 57 HE2 PHE 57 -6.287 13.359 -5.326 436 HZ PHE 57 HZ PHE 57 -8.667 13.984 -5.627 437 H LYS 58 H LYS 58 -7.048 6.084 -2.718 438 HA LYS 58 HA LYS 58 -5.114 4.963 -4.839 439 HB2 LYS 58 1HB LYS 58 -4.930 4.602 -1.793 440 HB3 LYS 58 2HB LYS 58 -3.965 3.746 -2.987 441 HG2 LYS 58 1HG LYS 58 -3.239 6.096 -3.902 442 HG3 LYS 58 2HG LYS 58 -3.920 6.780 -2.438 443 HD2 LYS 58 1HD LYS 58 -1.693 4.638 -2.615 444 HD3 LYS 58 2HD LYS 58 -1.431 6.358 -2.364 445 HE2 LYS 58 1HE LYS 58 -2.674 6.276 -0.160 446 HE3 LYS 58 2HE LYS 58 -3.005 4.555 -0.407 447 HZ1 LYS 58 3HZ LYS 58 -0.263 5.779 -0.001 448 HZ2 LYS 58 1HZ LYS 58 -0.893 4.481 0.800 449 HZ3 LYS 58 2HZ LYS 58 -0.384 4.333 -0.750 450 H ASN 59 H ASN 59 -7.151 4.099 -5.745 451 HA ASN 59 HA ASN 59 -7.656 1.298 -4.643 452 HB2 ASN 59 1HB ASN 59 -9.358 1.001 -6.253 453 HB3 ASN 59 2HB ASN 59 -9.622 2.440 -5.330 454 HD21 ASN 59 1HD2 ASN 59 -9.440 1.210 -8.451 455 HD22 ASN 59 2HD2 ASN 59 -9.555 2.840 -9.301 456 H LEU 60 H LEU 60 -5.643 0.455 -4.792 457 HA LEU 60 HA LEU 60 -4.633 -0.308 -7.485 458 HB2 LEU 60 1HB LEU 60 -2.426 0.821 -7.332 459 HB3 LEU 60 2HB LEU 60 -3.797 1.884 -7.473 460 HG LEU 60 HG LEU 60 -3.619 2.008 -4.762 461 HD11 LEU 60 1HD1 LEU 60 -1.636 0.426 -4.546 462 HD12 LEU 60 2HD1 LEU 60 -0.678 1.460 -5.619 463 HD13 LEU 60 3HD1 LEU 60 -1.201 2.057 -4.030 464 HD21 LEU 60 3HD2 LEU 60 -1.780 3.562 -6.722 465 HD22 LEU 60 1HD2 LEU 60 -3.467 3.966 -6.327 466 HD23 LEU 60 2HD2 LEU 60 -2.206 4.091 -5.082 467 H SER 61 H SER 61 -3.324 -2.053 -7.541 468 HA SER 61 HA SER 61 -2.860 -3.481 -4.926 469 HB2 SER 61 1HB SER 61 -2.578 -5.505 -6.362 470 HB3 SER 61 2HB SER 61 -4.145 -4.705 -6.583 471 HG SER 61 HG SER 61 -3.096 -5.349 -8.558 472 H VAL 62 H VAL 62 -0.895 -4.082 -4.148 473 HA VAL 62 HA VAL 62 1.571 -3.850 -5.904 474 HB VAL 62 HB VAL 62 2.815 -3.280 -3.850 475 HG11 VAL 62 1HG1 VAL 62 2.531 -0.864 -4.187 476 HG12 VAL 62 2HG1 VAL 62 2.417 -1.690 -5.741 477 HG13 VAL 62 3HG1 VAL 62 0.934 -1.104 -4.953 478 HG21 VAL 62 3HG2 VAL 62 1.670 -1.908 -2.089 479 HG22 VAL 62 1HG2 VAL 62 0.087 -2.407 -2.732 480 HG23 VAL 62 2HG2 VAL 62 1.202 -3.625 -2.053 481 H THR 63 H THR 63 2.886 -5.519 -5.867 482 HA THR 63 HA THR 63 2.172 -7.958 -4.163 483 HB THR 63 HB THR 63 3.536 -8.076 -6.919 484 HG1 THR 63 HG1 THR 63 1.214 -7.383 -6.694 485 HG21 THR 63 3HG2 THR 63 2.973 -10.482 -6.840 486 HG22 THR 63 1HG2 THR 63 3.904 -10.096 -5.369 487 HG23 THR 63 2HG2 THR 63 2.149 -10.305 -5.284 488 H PHE 64 H PHE 64 3.759 -8.893 -3.064 489 HA PHE 64 HA PHE 64 6.640 -8.188 -3.283 490 HB2 PHE 64 1HB PHE 64 6.867 -6.812 -1.267 491 HB3 PHE 64 2HB PHE 64 5.788 -6.083 -2.410 492 HD1 PHE 64 HD1 PHE 64 5.904 -7.784 0.920 493 HD2 PHE 64 HD2 PHE 64 3.403 -5.732 -1.921 494 HE1 PHE 64 HE1 PHE 64 4.184 -7.471 2.649 495 HE2 PHE 64 HE2 PHE 64 1.669 -5.492 -0.229 496 HZ PHE 64 HZ PHE 64 2.050 -6.353 2.092 497 H LYS 65 H LYS 65 7.961 -8.926 -1.412 498 HA LYS 65 HA LYS 65 6.690 -11.166 0.192 499 HB2 LYS 65 1HB LYS 65 8.431 -12.734 -0.317 500 HB3 LYS 65 2HB LYS 65 7.651 -12.174 -1.746 501 HG2 LYS 65 1HG LYS 65 9.589 -10.620 -2.253 502 HG3 LYS 65 2HG LYS 65 10.434 -11.208 -0.846 503 HD2 LYS 65 1HD LYS 65 9.423 -13.043 -3.137 504 HD3 LYS 65 2HD LYS 65 10.937 -12.195 -3.245 505 HE2 LYS 65 1HE LYS 65 10.306 -14.239 -0.992 506 HE3 LYS 65 2HE LYS 65 11.088 -14.632 -2.526 507 HZ1 LYS 65 3HZ LYS 65 12.751 -12.687 -1.921 508 HZ2 LYS 65 1HZ LYS 65 12.197 -12.670 -0.489 509 HZ3 LYS 65 2HZ LYS 65 12.948 -14.075 -0.992 510 H PHE 66 H PHE 66 7.694 -11.738 2.162 511 HA PHE 66 HA PHE 66 8.788 -9.356 3.544 512 HB2 PHE 66 1HB PHE 66 8.605 -10.798 5.615 513 HB3 PHE 66 2HB PHE 66 7.229 -10.123 4.822 514 HD1 PHE 66 HD1 PHE 66 9.131 -13.391 5.107 515 HD2 PHE 66 HD2 PHE 66 5.356 -11.484 4.278 516 HE1 PHE 66 HE1 PHE 66 8.004 -15.588 5.109 517 HE2 PHE 66 HE2 PHE 66 4.251 -13.669 4.272 518 HZ PHE 66 HZ PHE 66 5.565 -15.737 4.689 519 H GLY 67 H GLY 67 10.546 -9.503 2.067 520 HA2 GLY 67 1HA GLY 67 12.803 -9.418 3.983 521 HA3 GLY 67 2HA GLY 67 13.197 -10.449 2.586 522 H GLU 68 H GLU 68 12.372 -9.329 0.471 523 HA GLU 68 HA GLU 68 13.862 -7.076 -0.216 524 HB2 GLU 68 1HB GLU 68 11.272 -8.248 -1.484 525 HB3 GLU 68 2HB GLU 68 12.272 -7.072 -2.294 526 HG2 GLU 68 1HG GLU 68 12.990 -8.978 -3.271 527 HG3 GLU 68 2HG GLU 68 14.281 -8.670 -2.131 528 H GLU 69 H GLU 69 13.251 -5.119 -1.230 529 HA GLU 69 HA GLU 69 11.088 -3.506 0.164 530 HB2 GLU 69 1HB GLU 69 12.141 -1.481 -0.646 531 HB3 GLU 69 2HB GLU 69 13.144 -2.431 0.425 532 HG2 GLU 69 1HG GLU 69 14.571 -3.210 -1.481 533 HG3 GLU 69 2HG GLU 69 13.523 -2.419 -2.644 534 H PHE 70 H PHE 70 9.261 -3.223 -0.816 535 HA PHE 70 HA PHE 70 8.996 -3.298 -3.850 536 HB2 PHE 70 1HB PHE 70 6.746 -3.721 -3.733 537 HB3 PHE 70 2HB PHE 70 7.497 -4.784 -2.585 538 HD1 PHE 70 HD1 PHE 70 7.162 -4.326 -0.079 539 HD2 PHE 70 HD2 PHE 70 5.122 -1.978 -3.041 540 HE1 PHE 70 HE1 PHE 70 5.637 -3.463 1.651 541 HE2 PHE 70 HE2 PHE 70 3.653 -1.058 -1.299 542 HZ PHE 70 HZ PHE 70 3.889 -1.797 1.047 543 H ASP 71 H ASP 71 7.761 -1.478 -4.871 544 HA ASP 71 HA ASP 71 7.327 0.910 -3.045 545 HB2 ASP 71 1HB ASP 71 7.834 2.522 -4.610 546 HB3 ASP 71 2HB ASP 71 9.171 1.403 -4.573 547 H GLU 72 H GLU 72 5.655 2.281 -3.271 548 HA GLU 72 HA GLU 72 3.326 1.267 -4.948 549 HB2 GLU 72 1HB GLU 72 1.649 1.980 -3.522 550 HB3 GLU 72 2HB GLU 72 2.643 0.828 -2.667 551 HG2 GLU 72 1HG GLU 72 3.483 2.452 -1.107 552 HG3 GLU 72 2HG GLU 72 3.100 3.822 -2.124 553 H LYS 73 H LYS 73 2.797 2.617 -6.458 554 HA LYS 73 HA LYS 73 3.736 5.497 -6.391 555 HB2 LYS 73 1HB LYS 73 4.044 4.105 -8.459 556 HB3 LYS 73 2HB LYS 73 2.314 3.962 -8.658 557 HG2 LYS 73 1HG LYS 73 3.196 6.851 -8.375 558 HG3 LYS 73 2HG LYS 73 4.110 6.010 -9.593 559 HD2 LYS 73 1HD LYS 73 2.329 7.046 -10.716 560 HD3 LYS 73 2HD LYS 73 2.007 5.317 -10.785 561 HE2 LYS 73 1HE LYS 73 0.298 5.531 -8.924 562 HE3 LYS 73 2HE LYS 73 0.684 7.241 -8.722 563 HZ1 LYS 73 3HZ LYS 73 -0.069 7.613 -11.082 564 HZ2 LYS 73 1HZ LYS 73 -0.409 6.020 -11.267 565 HZ3 LYS 73 2HZ LYS 73 -1.289 6.930 -10.218 566 H THR 74 H THR 74 2.548 6.920 -5.457 567 HA THR 74 HA THR 74 -0.186 6.260 -4.608 568 HB THR 74 HB THR 74 0.134 8.187 -3.055 569 HG1 THR 74 HG1 THR 74 2.756 8.439 -4.031 570 HG21 THR 74 3HG2 THR 74 2.128 7.311 -1.810 571 HG22 THR 74 1HG2 THR 74 1.129 5.954 -2.404 572 HG23 THR 74 2HG2 THR 74 2.635 6.365 -3.229 573 H SER 75 H SER 75 -2.064 7.530 -4.714 574 HA SER 75 HA SER 75 -2.680 9.186 -7.008 575 HB2 SER 75 1HB SER 75 -4.808 9.498 -5.757 576 HB3 SER 75 2HB SER 75 -4.290 7.825 -5.751 577 HG SER 75 HG SER 75 -3.908 9.724 -3.664 578 H ASP 76 H ASP 76 -1.320 10.096 -3.905 579 HA ASP 76 HA ASP 76 -1.500 13.008 -4.139 580 HB2 ASP 76 1HB ASP 76 -1.046 11.583 -2.074 581 HB3 ASP 76 2HB ASP 76 0.487 11.093 -2.768 582 H GLY 77 H GLY 77 0.441 10.653 -5.789 583 HA2 GLY 77 1HA GLY 77 1.612 11.124 -7.867 584 HA3 GLY 77 2HA GLY 77 1.828 12.799 -7.404 585 H ARG 78 H ARG 78 2.802 9.631 -5.995 586 HA ARG 78 HA ARG 78 5.713 10.414 -5.946 587 HB2 ARG 78 1HB ARG 78 4.411 9.818 -3.211 588 HB3 ARG 78 2HB ARG 78 6.016 10.434 -3.573 589 HG2 ARG 78 1HG ARG 78 4.811 12.646 -4.357 590 HG3 ARG 78 2HG ARG 78 3.318 11.896 -3.818 591 HD2 ARG 78 1HD ARG 78 4.485 11.623 -1.463 592 HD3 ARG 78 2HD ARG 78 5.709 12.747 -2.036 593 HE ARG 78 HE ARG 78 2.711 13.265 -1.568 594 HH11 ARG 78 1HH1 ARG 78 5.677 14.728 -2.674 595 HH12 ARG 78 2HH1 ARG 78 4.825 16.310 -3.039 596 HH21 ARG 78 1HH2 ARG 78 1.779 14.949 -2.149 597 HH22 ARG 78 2HH2 ARG 78 2.705 16.433 -2.693 598 H ASN 79 H ASN 79 6.683 8.492 -6.464 599 HA ASN 79 HA ASN 79 5.520 5.905 -5.495 600 HB2 ASN 79 1HB ASN 79 6.836 4.652 -6.808 601 HB3 ASN 79 2HB ASN 79 6.242 5.950 -7.793 602 HD21 ASN 79 1HD2 ASN 79 8.835 4.104 -7.386 603 HD22 ASN 79 2HD2 ASN 79 10.110 5.318 -7.973 604 H VAL 80 H VAL 80 5.932 5.112 -3.607 605 HA VAL 80 HA VAL 80 8.489 5.990 -2.136 606 HB VAL 80 HB VAL 80 7.463 6.059 -0.036 607 HG11 VAL 80 1HG1 VAL 80 5.852 7.953 -1.883 608 HG12 VAL 80 2HG1 VAL 80 6.333 8.234 -0.186 609 HG13 VAL 80 3HG1 VAL 80 7.563 8.166 -1.475 610 HG21 VAL 80 3HG2 VAL 80 4.649 5.717 -1.310 611 HG22 VAL 80 1HG2 VAL 80 5.445 4.573 -0.207 612 HG23 VAL 80 2HG2 VAL 80 4.988 6.176 0.381 613 H LYS 81 H LYS 81 9.336 4.410 -0.744 614 HA LYS 81 HA LYS 81 8.602 1.637 -1.667 615 HB2 LYS 81 1HB LYS 81 10.691 0.860 -2.064 616 HB3 LYS 81 2HB LYS 81 10.540 2.380 -2.901 617 HG2 LYS 81 1HG LYS 81 11.920 3.475 -0.986 618 HG3 LYS 81 2HG LYS 81 12.109 1.834 -0.314 619 HD2 LYS 81 1HD LYS 81 13.109 1.051 -2.489 620 HD3 LYS 81 2HD LYS 81 13.003 2.690 -3.149 621 HE2 LYS 81 1HE LYS 81 14.583 3.567 -1.406 622 HE3 LYS 81 2HE LYS 81 14.534 2.019 -0.533 623 HZ1 LYS 81 3HZ LYS 81 15.574 2.213 -3.363 624 HZ2 LYS 81 1HZ LYS 81 16.524 2.029 -2.004 625 HZ3 LYS 81 2HZ LYS 81 15.461 0.837 -2.436 626 H SER 82 H SER 82 9.357 -0.091 -0.257 627 HA SER 82 HA SER 82 9.255 0.599 2.700 628 HB2 SER 82 1HB SER 82 7.028 -0.887 1.185 629 HB3 SER 82 2HB SER 82 7.167 -0.867 2.953 630 HG SER 82 HG SER 82 7.326 1.586 1.611 631 H VAL 83 H VAL 83 10.839 -0.594 3.519 632 HA VAL 83 HA VAL 83 11.660 -3.223 2.346 633 HB VAL 83 HB VAL 83 13.282 -1.559 2.993 634 HG11 VAL 83 1HG1 VAL 83 12.687 -2.103 5.951 635 HG12 VAL 83 2HG1 VAL 83 14.119 -1.278 5.295 636 HG13 VAL 83 3HG1 VAL 83 12.525 -0.568 5.045 637 HG21 VAL 83 3HG2 VAL 83 13.968 -3.931 2.736 638 HG22 VAL 83 1HG2 VAL 83 14.923 -3.135 4.009 639 HG23 VAL 83 2HG2 VAL 83 13.614 -4.252 4.448 640 H VAL 84 H VAL 84 10.710 -5.086 2.829 641 HA VAL 84 HA VAL 84 8.736 -5.146 5.104 642 HB VAL 84 HB VAL 84 9.116 -7.147 2.801 643 HG11 VAL 84 1HG1 VAL 84 7.576 -7.731 4.898 644 HG12 VAL 84 2HG1 VAL 84 6.495 -6.450 4.317 645 HG13 VAL 84 3HG1 VAL 84 6.820 -7.860 3.288 646 HG21 VAL 84 3HG2 VAL 84 7.294 -6.025 1.567 647 HG22 VAL 84 1HG2 VAL 84 7.248 -4.687 2.749 648 HG23 VAL 84 2HG2 VAL 84 8.671 -4.948 1.724 649 H GLU 85 H GLU 85 9.123 -6.188 6.925 650 HA GLU 85 HA GLU 85 10.677 -8.805 6.916 651 HB2 GLU 85 1HB GLU 85 12.314 -6.936 7.234 652 HB3 GLU 85 2HB GLU 85 11.383 -6.290 8.577 653 HG2 GLU 85 1HG GLU 85 11.880 -8.491 9.877 654 HG3 GLU 85 2HG GLU 85 12.911 -8.985 8.533 655 H LYS 86 H LYS 86 8.999 -10.157 7.860 656 HA LYS 86 HA LYS 86 7.534 -9.735 10.137 657 HB2 LYS 86 1HB LYS 86 9.289 -12.182 9.358 658 HB3 LYS 86 2HB LYS 86 8.171 -12.218 10.711 659 HG2 LYS 86 1HG LYS 86 6.306 -11.459 9.157 660 HG3 LYS 86 2HG LYS 86 7.350 -11.772 7.771 661 HD2 LYS 86 1HD LYS 86 7.607 -14.131 8.329 662 HD3 LYS 86 2HD LYS 86 6.956 -13.937 9.940 663 HE2 LYS 86 1HE LYS 86 5.297 -13.739 7.329 664 HE3 LYS 86 2HE LYS 86 5.291 -15.061 8.493 665 HZ1 LYS 86 3HZ LYS 86 4.723 -13.257 10.235 666 HZ2 LYS 86 1HZ LYS 86 4.462 -12.228 9.001 667 HZ3 LYS 86 2HZ LYS 86 3.445 -13.596 9.238 668 H ASN 87 H ASN 87 7.706 -9.556 12.177 669 HA ASN 87 HA ASN 87 10.273 -10.117 13.772 670 HB2 ASN 87 1HB ASN 87 8.614 -8.258 14.386 671 HB3 ASN 87 2HB ASN 87 7.427 -9.481 14.761 672 HD21 ASN 87 1HD2 ASN 87 8.425 -11.195 16.476 673 HD22 ASN 87 2HD2 ASN 87 9.265 -10.304 17.844 674 H SER 88 H SER 88 6.946 -11.418 13.515 675 HA SER 88 HA SER 88 7.919 -14.067 12.902 676 HB2 SER 88 1HB SER 88 6.651 -13.888 15.724 677 HB3 SER 88 2HB SER 88 6.872 -15.402 14.836 678 HG SER 88 HG SER 88 9.117 -13.749 14.973 679 H GLU 89 H GLU 89 5.039 -15.055 14.035 680 HA GLU 89 HA GLU 89 3.457 -13.804 11.739 681 HB2 GLU 89 1HB GLU 89 3.897 -16.364 11.836 682 HB3 GLU 89 2HB GLU 89 2.790 -16.411 13.195 683 HG2 GLU 89 1HG GLU 89 1.555 -16.994 11.228 684 HG3 GLU 89 2HG GLU 89 0.946 -15.431 11.726 685 H SER 90 H SER 90 3.924 -12.457 14.088 686 HA SER 90 HA SER 90 1.105 -11.501 14.247 687 HB2 SER 90 1HB SER 90 1.411 -12.942 16.299 688 HB3 SER 90 2HB SER 90 2.805 -11.969 16.788 689 HG SER 90 HG SER 90 0.089 -11.080 16.607 690 H LYS 91 H LYS 91 3.917 -10.394 13.284 691 HA LYS 91 HA LYS 91 3.302 -7.643 13.678 692 HB2 LYS 91 1HB LYS 91 4.114 -8.157 16.051 693 HB3 LYS 91 2HB LYS 91 5.688 -8.494 15.407 694 HG2 LYS 91 1HG LYS 91 4.999 -5.869 14.360 695 HG3 LYS 91 2HG LYS 91 4.268 -5.909 15.941 696 HD2 LYS 91 1HD LYS 91 7.209 -6.440 15.219 697 HD3 LYS 91 2HD LYS 91 6.584 -4.943 15.861 698 HE2 LYS 91 1HE LYS 91 6.628 -7.625 17.421 699 HE3 LYS 91 2HE LYS 91 7.870 -6.385 17.512 700 HZ1 LYS 91 3HZ LYS 91 6.033 -4.786 18.300 701 HZ2 LYS 91 1HZ LYS 91 4.922 -6.018 18.319 702 HZ3 LYS 91 2HZ LYS 91 6.223 -6.054 19.341 703 H LEU 92 H LEU 92 3.958 -6.953 11.820 704 HA LEU 92 HA LEU 92 6.696 -7.702 10.621 705 HB2 LEU 92 1HB LEU 92 4.736 -8.790 9.626 706 HB3 LEU 92 2HB LEU 92 3.899 -7.275 9.383 707 HG LEU 92 HG LEU 92 6.616 -7.367 8.100 708 HD11 LEU 92 1HD1 LEU 92 5.892 -8.785 6.167 709 HD12 LEU 92 2HD1 LEU 92 5.989 -9.725 7.657 710 HD13 LEU 92 3HD1 LEU 92 4.407 -9.238 7.011 711 HD21 LEU 92 3HD2 LEU 92 4.965 -5.494 7.683 712 HD22 LEU 92 1HD2 LEU 92 5.319 -6.352 6.180 713 HD23 LEU 92 2HD2 LEU 92 3.793 -6.650 7.021 714 H THR 93 H THR 93 7.979 -6.076 9.791 715 HA THR 93 HA THR 93 7.058 -3.185 10.375 716 HB THR 93 HB THR 93 8.598 -4.163 11.998 717 HG1 THR 93 HG1 THR 93 9.857 -2.066 10.615 718 HG21 THR 93 3HG2 THR 93 10.924 -4.515 11.666 719 HG22 THR 93 1HG2 THR 93 10.173 -5.354 10.284 720 HG23 THR 93 2HG2 THR 93 10.941 -3.777 10.052 721 H GLN 94 H GLN 94 6.292 -3.487 8.191 722 HA GLN 94 HA GLN 94 8.200 -3.307 5.963 723 HB2 GLN 94 1HB GLN 94 6.494 -3.116 4.390 724 HB3 GLN 94 2HB GLN 94 6.251 -4.410 5.532 725 HG2 GLN 94 1HG GLN 94 4.514 -2.882 6.745 726 HG3 GLN 94 2HG GLN 94 4.678 -1.753 5.414 727 HE21 GLN 94 1HE2 GLN 94 4.265 -2.759 3.209 728 HE22 GLN 94 2HE2 GLN 94 3.005 -4.089 3.127 729 H THR 95 H THR 95 9.577 -1.780 6.340 730 HA THR 95 HA THR 95 8.759 0.786 7.568 731 HB THR 95 HB THR 95 11.594 -0.160 6.890 732 HG1 THR 95 HG1 THR 95 10.420 -1.620 8.170 733 HG21 THR 95 3HG2 THR 95 11.724 2.182 7.544 734 HG22 THR 95 1HG2 THR 95 10.441 2.017 8.740 735 HG23 THR 95 2HG2 THR 95 12.008 1.260 9.036 736 H GLN 96 H GLN 96 8.211 2.566 6.442 737 HA GLN 96 HA GLN 96 8.423 2.557 3.530 738 HB2 GLN 96 1HB GLN 96 7.019 4.231 5.612 739 HB3 GLN 96 2HB GLN 96 7.463 5.117 4.179 740 HG2 GLN 96 1HG GLN 96 6.258 3.513 2.702 741 HG3 GLN 96 2HG GLN 96 5.815 2.535 4.097 742 HE21 GLN 96 1HE2 GLN 96 5.574 5.996 2.987 743 HE22 GLN 96 2HE2 GLN 96 3.878 6.121 3.677 744 H VAL 97 H VAL 97 9.857 3.491 2.189 745 HA VAL 97 HA VAL 97 11.923 5.470 3.328 746 HB VAL 97 HB VAL 97 12.283 3.161 1.343 747 HG11 VAL 97 1HG1 VAL 97 13.610 5.101 0.475 748 HG12 VAL 97 2HG1 VAL 97 14.159 5.462 2.119 749 HG13 VAL 97 3HG1 VAL 97 14.740 3.992 1.289 750 HG21 VAL 97 3HG2 VAL 97 14.013 2.379 2.967 751 HG22 VAL 97 1HG2 VAL 97 13.663 3.750 4.054 752 HG23 VAL 97 2HG2 VAL 97 12.444 2.493 3.773 753 H ASP 98 H ASP 98 10.293 6.997 2.860 754 HA ASP 98 HA ASP 98 9.403 7.597 0.162 755 HB2 ASP 98 1HB ASP 98 9.253 9.298 2.743 756 HB3 ASP 98 2HB ASP 98 8.110 9.323 1.440 757 HA PRO 99 HA PRO 99 12.422 11.243 -0.453 758 HB2 PRO 99 1HB PRO 99 10.787 13.483 -0.946 759 HB3 PRO 99 2HB PRO 99 11.196 12.230 -2.136 760 HG2 PRO 99 1HG PRO 99 8.678 12.342 -0.360 761 HG3 PRO 99 2HG PRO 99 8.743 12.146 -2.133 762 HD2 PRO 99 1HD PRO 99 8.470 9.960 -0.525 763 HD3 PRO 99 2HD PRO 99 9.556 9.848 -1.935 764 H LYS 100 H LYS 100 10.140 11.192 1.993 765 HA LYS 100 HA LYS 100 11.672 13.156 3.780 766 HB2 LYS 100 1HB LYS 100 9.063 13.037 3.753 767 HB3 LYS 100 2HB LYS 100 9.200 11.476 4.507 768 HG2 LYS 100 1HG LYS 100 10.410 14.059 5.729 769 HG3 LYS 100 2HG LYS 100 8.742 13.623 5.922 770 HD2 LYS 100 1HD LYS 100 9.168 12.313 7.682 771 HD3 LYS 100 2HD LYS 100 10.068 11.211 6.673 772 HE2 LYS 100 1HE LYS 100 12.135 12.889 7.036 773 HE3 LYS 100 2HE LYS 100 11.160 13.608 8.312 774 HZ1 LYS 100 3HZ LYS 100 11.750 10.638 8.114 775 HZ2 LYS 100 1HZ LYS 100 12.656 11.646 9.056 776 HZ3 LYS 100 2HZ LYS 100 11.069 11.371 9.420 777 H ASN 101 H ASN 101 11.132 9.659 3.334 778 HA ASN 101 HA ASN 101 12.006 7.761 4.316 779 HB2 ASN 101 1HB ASN 101 14.091 9.432 5.830 780 HB3 ASN 101 2HB ASN 101 13.996 7.693 5.754 781 HD21 ASN 101 1HD2 ASN 101 14.533 10.530 3.746 782 HD22 ASN 101 2HD2 ASN 101 15.403 9.566 2.445 783 H THR 102 H THR 102 10.581 6.728 5.548 784 HA THR 102 HA THR 102 9.456 8.114 7.976 785 HB THR 102 HB THR 102 8.476 5.725 6.329 786 HG1 THR 102 HG1 THR 102 8.007 7.462 5.102 787 HG21 THR 102 3HG2 THR 102 6.307 5.916 7.365 788 HG22 THR 102 1HG2 THR 102 7.441 5.658 8.702 789 HG23 THR 102 2HG2 THR 102 6.810 7.289 8.347 790 H THR 103 H THR 103 9.196 7.087 9.988 791 HA THR 103 HA THR 103 11.441 5.288 10.733 792 HB THR 103 HB THR 103 9.311 6.732 12.339 793 HG1 THR 103 HG1 THR 103 12.101 7.168 12.107 794 HG21 THR 103 3HG2 THR 103 11.869 5.411 13.464 795 HG22 THR 103 1HG2 THR 103 10.660 6.388 14.341 796 HG23 THR 103 2HG2 THR 103 10.220 4.800 13.686 797 H VAL 104 H VAL 104 11.172 3.276 11.814 798 HA VAL 104 HA VAL 104 9.830 1.292 10.588 799 HB VAL 104 HB VAL 104 9.920 -0.159 12.558 800 HG11 VAL 104 1HG1 VAL 104 11.811 -0.021 10.985 801 HG12 VAL 104 2HG1 VAL 104 12.530 1.336 11.884 802 HG13 VAL 104 3HG1 VAL 104 12.398 -0.272 12.630 803 HG21 VAL 104 3HG2 VAL 104 11.223 2.202 14.080 804 HG22 VAL 104 1HG2 VAL 104 9.659 1.467 14.481 805 HG23 VAL 104 2HG2 VAL 104 11.139 0.507 14.611 806 H ILE 105 H ILE 105 7.799 1.336 9.911 807 HA ILE 105 HA ILE 105 5.527 1.758 11.757 808 HB ILE 105 HB ILE 105 4.084 1.740 9.921 809 HG12 ILE 105 1HG1 ILE 105 5.268 1.878 7.493 810 HG13 ILE 105 2HG1 ILE 105 6.410 0.751 8.175 811 HG21 ILE 105 1HG2 ILE 105 6.563 3.375 9.114 812 HG22 ILE 105 2HG2 ILE 105 4.863 3.758 8.819 813 HG23 ILE 105 3HG2 ILE 105 5.531 3.800 10.481 814 HD11 ILE 105 3HD1 ILE 105 3.456 0.026 8.490 815 HD12 ILE 105 1HD1 ILE 105 4.155 0.027 6.844 816 HD13 ILE 105 2HD1 ILE 105 4.856 -0.993 8.109 817 H VAL 106 H VAL 106 6.388 -0.052 12.979 818 HA VAL 106 HA VAL 106 5.964 -2.755 12.452 819 HB VAL 106 HB VAL 106 5.573 -3.165 14.934 820 HG11 VAL 106 1HG1 VAL 106 7.849 -3.262 13.958 821 HG12 VAL 106 2HG1 VAL 106 8.053 -1.507 14.127 822 HG13 VAL 106 3HG1 VAL 106 7.918 -2.536 15.571 823 HG21 VAL 106 3HG2 VAL 106 6.212 -0.186 15.391 824 HG22 VAL 106 1HG2 VAL 106 4.561 -0.804 15.364 825 HG23 VAL 106 2HG2 VAL 106 5.721 -1.425 16.579 826 H ARG 107 H ARG 107 4.364 -3.766 11.659 827 HA ARG 107 HA ARG 107 1.485 -2.986 12.166 828 HB2 ARG 107 1HB ARG 107 2.673 -4.817 10.005 829 HB3 ARG 107 2HB ARG 107 0.997 -4.358 10.161 830 HG2 ARG 107 1HG ARG 107 2.519 -1.864 10.165 831 HG3 ARG 107 2HG ARG 107 3.273 -2.861 8.969 832 HD2 ARG 107 1HD ARG 107 0.238 -2.255 9.095 833 HD3 ARG 107 2HD ARG 107 1.396 -1.268 8.211 834 HE ARG 107 HE ARG 107 1.931 -3.682 6.991 835 HH11 ARG 107 1HH1 ARG 107 -1.172 -2.246 7.677 836 HH12 ARG 107 2HH1 ARG 107 -1.863 -2.895 6.111 837 HH21 ARG 107 1HH2 ARG 107 1.157 -4.309 5.281 838 HH22 ARG 107 2HH2 ARG 107 -0.594 -4.033 4.811 839 H GLU 108 H GLU 108 0.918 -3.915 14.103 840 HA GLU 108 HA GLU 108 1.624 -6.801 14.643 841 HB2 GLU 108 1HB GLU 108 2.180 -4.862 16.180 842 HB3 GLU 108 2HB GLU 108 0.477 -4.703 16.573 843 HG2 GLU 108 1HG GLU 108 0.408 -6.834 17.731 844 HG3 GLU 108 2HG GLU 108 1.873 -7.425 16.960 845 H VAL 109 H VAL 109 -0.073 -8.156 15.742 846 HA VAL 109 HA VAL 109 -2.930 -7.289 15.246 847 HB VAL 109 HB VAL 109 -2.337 -8.876 13.455 848 HG11 VAL 109 1HG1 VAL 109 -2.160 -11.295 13.783 849 HG12 VAL 109 2HG1 VAL 109 -0.877 -10.459 14.689 850 HG13 VAL 109 3HG1 VAL 109 -2.280 -11.131 15.553 851 HG21 VAL 109 3HG2 VAL 109 -4.421 -10.169 13.486 852 HG22 VAL 109 1HG2 VAL 109 -4.619 -9.910 15.232 853 HG23 VAL 109 2HG2 VAL 109 -4.720 -8.537 14.109 854 H ASP 110 H ASP 110 -4.089 -7.280 16.975 855 HA ASP 110 HA ASP 110 -3.315 -8.923 19.397 856 HB2 ASP 110 1HB ASP 110 -4.948 -6.366 18.868 857 HB3 ASP 110 2HB ASP 110 -4.944 -7.087 20.437 858 H GLY 111 H GLY 111 -4.592 -10.399 17.402 859 HA2 GLY 111 1HA GLY 111 -6.264 -12.232 17.462 860 HA3 GLY 111 2HA GLY 111 -7.070 -11.453 18.804 861 H ASP 112 H ASP 112 -6.678 -11.451 15.326 862 HA ASP 112 HA ASP 112 -7.418 -9.898 13.676 863 HB2 ASP 112 1HB ASP 112 -9.842 -11.447 14.663 864 HB3 ASP 112 2HB ASP 112 -9.986 -10.334 13.316 865 H THR 113 H THR 113 -6.701 -8.302 15.340 866 HA THR 113 HA THR 113 -8.291 -5.891 14.783 867 HB THR 113 HB THR 113 -9.172 -6.790 16.998 868 HG1 THR 113 HG1 THR 113 -8.206 -4.111 16.738 869 HG21 THR 113 3HG2 THR 113 -8.262 -6.120 19.066 870 HG22 THR 113 1HG2 THR 113 -7.118 -7.212 18.274 871 HG23 THR 113 2HG2 THR 113 -6.776 -5.473 18.350 872 H MET 114 H MET 114 -6.676 -5.711 13.426 873 HA MET 114 HA MET 114 -3.886 -5.986 14.048 874 HB2 MET 114 1HB MET 114 -5.406 -5.220 11.573 875 HB3 MET 114 2HB MET 114 -3.731 -4.715 11.645 876 HG2 MET 114 1HG MET 114 -3.334 -7.307 12.413 877 HG3 MET 114 2HG MET 114 -4.863 -7.530 11.555 878 HE1 MET 114 3HE MET 114 -0.805 -5.991 9.883 879 HE2 MET 114 1HE MET 114 -1.520 -5.411 11.411 880 HE3 MET 114 2HE MET 114 -0.970 -7.086 11.286 881 H LYS 115 H LYS 115 -2.892 -4.823 15.368 882 HA LYS 115 HA LYS 115 -3.399 -1.824 15.672 883 HB2 LYS 115 1HB LYS 115 -3.410 -3.460 17.625 884 HB3 LYS 115 2HB LYS 115 -1.706 -3.781 17.343 885 HG2 LYS 115 1HG LYS 115 -1.296 -1.207 17.687 886 HG3 LYS 115 2HG LYS 115 -2.994 -1.083 18.121 887 HD2 LYS 115 1HD LYS 115 -1.823 -1.197 20.141 888 HD3 LYS 115 2HD LYS 115 -2.646 -2.739 20.006 889 HE2 LYS 115 1HE LYS 115 0.235 -2.633 18.933 890 HE3 LYS 115 2HE LYS 115 0.072 -2.345 20.656 891 HZ1 LYS 115 3HZ LYS 115 -0.860 -4.576 20.970 892 HZ2 LYS 115 1HZ LYS 115 -1.296 -4.792 19.460 893 HZ3 LYS 115 2HZ LYS 115 0.356 -4.828 19.831 894 H THR 116 H THR 116 -2.317 -0.814 14.007 895 HA THR 116 HA THR 116 0.592 -1.563 13.474 896 HB THR 116 HB THR 116 0.366 -1.295 11.260 897 HG1 THR 116 HG1 THR 116 -1.039 0.648 11.601 898 HG21 THR 116 3HG2 THR 116 -2.427 -2.429 11.885 899 HG22 THR 116 1HG2 THR 116 -1.503 -2.702 10.407 900 HG23 THR 116 2HG2 THR 116 -0.930 -3.369 11.959 901 H THR 117 H THR 117 1.475 -0.124 14.849 902 HA THR 117 HA THR 117 0.952 2.695 15.033 903 HB THR 117 HB THR 117 3.612 1.191 15.442 904 HG1 THR 117 HG1 THR 117 2.900 1.085 17.631 905 HG21 THR 117 3HG2 THR 117 3.871 3.715 15.711 906 HG22 THR 117 1HG2 THR 117 2.523 3.720 16.868 907 HG23 THR 117 2HG2 THR 117 4.053 2.891 17.262 908 H VAL 118 H VAL 118 1.038 4.050 13.228 909 HA VAL 118 HA VAL 118 3.675 4.030 11.703 910 HB VAL 118 HB VAL 118 1.908 4.077 10.336 911 HG11 VAL 118 1HG1 VAL 118 0.162 5.420 11.645 912 HG12 VAL 118 2HG1 VAL 118 1.001 6.892 11.127 913 HG13 VAL 118 3HG1 VAL 118 0.306 5.845 9.906 914 HG21 VAL 118 3HG2 VAL 118 3.108 6.914 10.045 915 HG22 VAL 118 1HG2 VAL 118 4.126 5.510 9.884 916 HG23 VAL 118 2HG2 VAL 118 2.756 5.735 8.763 917 H THR 119 H THR 119 5.172 4.630 13.081 918 HA THR 119 HA THR 119 5.007 7.443 14.266 919 HB THR 119 HB THR 119 5.611 5.984 15.998 920 HG1 THR 119 HG1 THR 119 7.781 6.686 16.394 921 HG21 THR 119 3HG2 THR 119 6.497 3.949 14.790 922 HG22 THR 119 1HG2 THR 119 7.922 4.855 14.275 923 HG23 THR 119 2HG2 THR 119 7.646 4.513 16.010 924 H VAL 120 H VAL 120 6.469 8.938 13.670 925 HA VAL 120 HA VAL 120 8.386 8.378 11.340 926 HB VAL 120 HB VAL 120 6.426 10.715 11.132 927 HG11 VAL 120 1HG1 VAL 120 8.547 10.699 9.727 928 HG12 VAL 120 2HG1 VAL 120 8.056 9.128 9.061 929 HG13 VAL 120 3HG1 VAL 120 7.097 10.545 8.703 930 HG21 VAL 120 3HG2 VAL 120 5.954 7.842 10.192 931 HG22 VAL 120 1HG2 VAL 120 4.937 8.837 11.218 932 HG23 VAL 120 2HG2 VAL 120 5.080 9.264 9.487 933 H GLY 121 H GLY 121 9.937 8.681 13.004 934 HA2 GLY 121 1HA GLY 121 11.378 9.907 14.495 935 HA3 GLY 121 2HA GLY 121 10.766 11.405 13.829 936 H ASP 122 H ASP 122 8.259 11.380 14.482 937 HA ASP 122 HA ASP 122 8.213 11.698 17.503 938 HB2 ASP 122 1HB ASP 122 8.051 14.179 17.235 939 HB3 ASP 122 2HB ASP 122 9.501 13.568 16.477 940 H VAL 123 H VAL 123 6.258 10.233 15.957 941 HA VAL 123 HA VAL 123 3.744 11.865 16.662 942 HB VAL 123 HB VAL 123 4.041 10.319 14.012 943 HG11 VAL 123 1HG1 VAL 123 1.739 12.035 15.224 944 HG12 VAL 123 2HG1 VAL 123 1.842 11.660 13.513 945 HG13 VAL 123 3HG1 VAL 123 1.644 10.343 14.689 946 HG21 VAL 123 3HG2 VAL 123 3.998 13.382 14.544 947 HG22 VAL 123 1HG2 VAL 123 5.362 12.460 13.900 948 HG23 VAL 123 2HG2 VAL 123 3.873 12.615 12.937 949 H THR 124 H THR 124 4.664 8.538 15.843 950 HA THR 124 HA THR 124 3.604 6.491 16.302 951 HB THR 124 HB THR 124 3.431 7.900 18.994 952 HG1 THR 124 HG1 THR 124 5.379 6.772 19.288 953 HG21 THR 124 3HG2 THR 124 3.538 5.725 20.113 954 HG22 THR 124 1HG2 THR 124 2.104 5.680 19.084 955 HG23 THR 124 2HG2 THR 124 3.589 4.847 18.580 956 H ALA 125 H ALA 125 1.930 6.659 14.790 957 HA ALA 125 HA ALA 125 -0.806 7.392 15.911 958 HB1 ALA 125 3HB ALA 125 0.324 7.206 13.088 959 HB2 ALA 125 1HB ALA 125 -1.403 7.417 13.396 960 HB3 ALA 125 2HB ALA 125 -0.229 8.630 13.956 961 H ILE 126 H ILE 126 -1.362 5.720 17.049 962 HA ILE 126 HA ILE 126 -0.799 2.982 16.360 963 HB ILE 126 HB ILE 126 -0.678 3.971 18.551 964 HG12 ILE 126 1HG1 ILE 126 -1.787 2.075 19.890 965 HG13 ILE 126 2HG1 ILE 126 -2.467 1.467 18.387 966 HG21 ILE 126 1HG2 ILE 126 -3.739 3.866 18.852 967 HG22 ILE 126 2HG2 ILE 126 -2.537 4.270 20.092 968 HG23 ILE 126 3HG2 ILE 126 -2.757 5.355 18.721 969 HD11 ILE 126 3HD1 ILE 126 0.564 1.994 18.833 970 HD12 ILE 126 1HD1 ILE 126 -0.210 0.428 19.118 971 HD13 ILE 126 2HD1 ILE 126 -0.166 1.103 17.474 972 H ARG 127 H ARG 127 -1.717 2.722 14.356 973 HA ARG 127 HA ARG 127 -4.567 3.142 13.886 974 HB2 ARG 127 1HB ARG 127 -2.630 1.618 12.103 975 HB3 ARG 127 2HB ARG 127 -4.254 2.066 11.655 976 HG2 ARG 127 1HG ARG 127 -3.812 4.290 11.323 977 HG3 ARG 127 2HG ARG 127 -2.566 4.381 12.556 978 HD2 ARG 127 1HD ARG 127 -1.574 4.725 10.425 979 HD3 ARG 127 2HD ARG 127 -0.900 3.276 11.180 980 HE ARG 127 HE ARG 127 -3.063 2.576 9.260 981 HH11 ARG 127 1HH1 ARG 127 0.251 3.626 9.317 982 HH12 ARG 127 2HH1 ARG 127 0.600 2.862 7.691 983 HH21 ARG 127 1HH2 ARG 127 -2.645 1.724 7.478 984 HH22 ARG 127 2HH2 ARG 127 -0.988 1.836 6.691 985 H ASN 128 H ASN 128 -6.151 1.821 14.586 986 HA ASN 128 HA ASN 128 -5.695 -1.176 14.878 987 HB2 ASN 128 1HB ASN 128 -6.794 0.440 16.663 988 HB3 ASN 128 2HB ASN 128 -8.202 0.387 15.613 989 HD21 ASN 128 1HD2 ASN 128 -8.440 -0.279 18.153 990 HD22 ASN 128 2HD2 ASN 128 -8.646 -2.101 18.296 991 H TYR 129 H TYR 129 -6.398 -2.485 13.306 992 HA TYR 129 HA TYR 129 -8.588 -1.622 11.334 993 HB2 TYR 129 1HB TYR 129 -6.033 -3.345 10.949 994 HB3 TYR 129 2HB TYR 129 -7.315 -3.341 9.775 995 HD1 TYR 129 HD1 TYR 129 -4.576 -1.263 11.281 996 HD2 TYR 129 HD2 TYR 129 -7.506 -1.565 8.145 997 HE1 TYR 129 HE1 TYR 129 -3.487 0.556 10.059 998 HE2 TYR 129 HE2 TYR 129 -6.508 0.348 7.017 999 HH TYR 129 HH TYR 129 -5.016 1.926 7.127 1000 H LYS 130 H LYS 130 -10.040 -3.146 10.640 1001 HA LYS 130 HA LYS 130 -10.354 -5.675 12.383 1002 HB2 LYS 130 1HB LYS 130 -12.356 -4.274 10.476 1003 HB3 LYS 130 2HB LYS 130 -12.638 -5.849 11.173 1004 HG2 LYS 130 1HG LYS 130 -12.445 -3.215 12.763 1005 HG3 LYS 130 2HG LYS 130 -13.877 -4.100 12.308 1006 HD2 LYS 130 1HD LYS 130 -13.726 -4.960 14.414 1007 HD3 LYS 130 2HD LYS 130 -12.763 -6.172 13.593 1008 HE2 LYS 130 1HE LYS 130 -10.684 -4.487 14.242 1009 HE3 LYS 130 2HE LYS 130 -11.852 -3.784 15.342 1010 HZ1 LYS 130 3HZ LYS 130 -12.171 -6.131 16.300 1011 HZ2 LYS 130 1HZ LYS 130 -10.993 -6.699 15.284 1012 HZ3 LYS 130 2HZ LYS 130 -10.607 -5.594 16.428 1013 H ARG 131 H ARG 131 -9.665 -7.468 11.562 1014 HA ARG 131 HA ARG 131 -9.118 -7.911 8.635 1015 HB2 ARG 131 1HB ARG 131 -7.544 -8.772 10.278 1016 HB3 ARG 131 2HB ARG 131 -8.796 -9.736 11.072 1017 HG2 ARG 131 1HG ARG 131 -9.160 -11.068 9.036 1018 HG3 ARG 131 2HG ARG 131 -8.028 -10.130 8.098 1019 HD2 ARG 131 1HD ARG 131 -6.107 -10.870 9.465 1020 HD3 ARG 131 2HD ARG 131 -7.130 -11.673 10.632 1021 HE ARG 131 HE ARG 131 -6.553 -12.602 7.788 1022 HH11 ARG 131 1HH1 ARG 131 -8.493 -13.228 10.715 1023 HH12 ARG 131 2HH1 ARG 131 -8.704 -14.957 10.171 1024 HH21 ARG 131 1HH2 ARG 131 -7.069 -14.454 7.180 1025 HH22 ARG 131 2HH2 ARG 131 -7.953 -15.612 8.286 1026 H LEU 132 H LEU 132 -10.580 -8.472 7.307 1027 HA LEU 132 HA LEU 132 -13.246 -9.603 8.258 1028 HB2 LEU 132 1HB LEU 132 -12.465 -7.740 5.952 1029 HB3 LEU 132 2HB LEU 132 -14.103 -8.377 6.187 1030 HG LEU 132 HG LEU 132 -12.489 -6.413 7.889 1031 HD11 LEU 132 1HD1 LEU 132 -13.686 -5.539 5.851 1032 HD12 LEU 132 2HD1 LEU 132 -15.219 -6.255 6.402 1033 HD13 LEU 132 3HD1 LEU 132 -14.491 -4.923 7.312 1034 HD21 LEU 132 3HD2 LEU 132 -13.696 -7.763 9.592 1035 HD22 LEU 132 1HD2 LEU 132 -14.519 -6.210 9.422 1036 HD23 LEU 132 2HD2 LEU 132 -15.222 -7.665 8.678 1037 H SER 133 H SER 133 -14.120 -11.260 7.418 1038 HA SER 133 HA SER 133 -12.816 -12.885 5.188 1039 HB2 SER 133 1HB SER 133 -14.186 -14.759 5.993 1040 HB3 SER 133 2HB SER 133 -13.251 -14.054 7.314 1041 HG SER 133 HG SER 133 -15.436 -14.455 7.894 1042 HXT SER 133 HXT SER 133 -15.870 -12.570 5.021 Start of MODEL 5 1 H1 MET 1 1H MET 1 3.439 -17.622 6.449 2 H2 MET 1 2H MET 1 2.451 -18.250 7.583 3 HA MET 1 HA MET 1 1.748 -16.046 7.130 4 HB2 MET 1 1HB MET 1 1.621 -16.988 4.203 5 HB3 MET 1 2HB MET 1 0.848 -15.519 4.785 6 HG2 MET 1 1HG MET 1 3.058 -14.598 5.565 7 HG3 MET 1 2HG MET 1 3.888 -16.043 4.972 8 HE1 MET 1 3HE MET 1 2.906 -16.883 2.169 9 HE2 MET 1 1HE MET 1 3.703 -15.715 1.090 10 HE3 MET 1 2HE MET 1 4.602 -16.407 2.466 11 H SER 2 H SER 2 0.040 -16.344 8.352 12 HA SER 2 HA SER 2 -2.553 -17.088 7.096 13 HB2 SER 2 1HB SER 2 -1.450 -18.953 9.305 14 HB3 SER 2 2HB SER 2 -3.161 -18.897 8.854 15 HG SER 2 HG SER 2 -1.298 -19.120 6.766 16 H SER 3 H SER 3 -0.958 -15.839 9.998 17 HA SER 3 HA SER 3 -3.476 -14.635 11.063 18 HB2 SER 3 1HB SER 3 -2.151 -13.341 12.520 19 HB3 SER 3 2HB SER 3 -1.394 -14.932 12.493 20 HG SER 3 HG SER 3 0.323 -13.723 12.117 21 H PHE 4 H PHE 4 -0.833 -13.572 8.936 22 HA PHE 4 HA PHE 4 -2.351 -11.139 8.035 23 HB2 PHE 4 1HB PHE 4 0.325 -12.266 6.996 24 HB3 PHE 4 2HB PHE 4 -0.326 -10.685 6.644 25 HD1 PHE 4 HD1 PHE 4 -0.729 -9.028 8.681 26 HD2 PHE 4 HD2 PHE 4 1.715 -12.566 8.974 27 HE1 PHE 4 HE1 PHE 4 0.380 -8.118 10.689 28 HE2 PHE 4 HE2 PHE 4 2.845 -11.618 10.942 29 HZ PHE 4 HZ PHE 4 2.175 -9.378 11.804 30 H LEU 5 H LEU 5 -3.766 -13.566 7.290 31 HA LEU 5 HA LEU 5 -3.968 -12.984 4.313 32 HB2 LEU 5 1HB LEU 5 -4.815 -15.485 5.851 33 HB3 LEU 5 2HB LEU 5 -5.268 -15.128 4.191 34 HG LEU 5 HG LEU 5 -2.383 -15.374 5.192 35 HD11 LEU 5 1HD1 LEU 5 -3.708 -17.581 5.244 36 HD12 LEU 5 2HD1 LEU 5 -4.085 -17.379 3.524 37 HD13 LEU 5 3HD1 LEU 5 -2.404 -17.621 4.048 38 HD21 LEU 5 3HD2 LEU 5 -1.778 -15.590 2.737 39 HD22 LEU 5 1HD2 LEU 5 -3.449 -15.175 2.287 40 HD23 LEU 5 2HD2 LEU 5 -2.411 -13.989 3.113 41 H GLY 6 H GLY 6 -5.588 -11.734 3.774 42 HA2 GLY 6 1HA GLY 6 -8.281 -11.819 3.823 43 HA3 GLY 6 2HA GLY 6 -8.064 -11.426 5.539 44 H LYS 7 H LYS 7 -9.557 -9.778 4.507 45 HA LYS 7 HA LYS 7 -7.934 -7.316 3.805 46 HB2 LYS 7 1HB LYS 7 -9.799 -6.183 2.877 47 HB3 LYS 7 2HB LYS 7 -9.486 -7.656 2.045 48 HG2 LYS 7 1HG LYS 7 -11.524 -8.231 4.068 49 HG3 LYS 7 2HG LYS 7 -11.932 -6.702 3.334 50 HD2 LYS 7 1HD LYS 7 -13.094 -8.420 2.154 51 HD3 LYS 7 2HD LYS 7 -11.895 -7.756 1.042 52 HE2 LYS 7 1HE LYS 7 -10.375 -9.736 1.426 53 HE3 LYS 7 2HE LYS 7 -11.438 -10.349 2.698 54 HZ1 LYS 7 3HZ LYS 7 -11.864 -11.386 0.397 55 HZ2 LYS 7 1HZ LYS 7 -13.198 -10.756 1.130 56 HZ3 LYS 7 2HZ LYS 7 -12.468 -9.936 -0.109 57 H TRP 8 H TRP 8 -8.204 -5.417 4.873 58 HA TRP 8 HA TRP 8 -9.396 -5.633 7.654 59 HB2 TRP 8 1HB TRP 8 -6.480 -5.140 6.819 60 HB3 TRP 8 2HB TRP 8 -7.084 -4.340 8.245 61 HD1 TRP 8 HD1 TRP 8 -8.000 -5.939 10.371 62 HE1 TRP 8 HE1 TRP 8 -7.280 -8.320 11.241 63 HE3 TRP 8 HE3 TRP 8 -5.681 -7.508 6.064 64 HZ2 TRP 8 HZ2 TRP 8 -5.871 -10.472 10.107 65 HZ3 TRP 8 HZ3 TRP 8 -4.727 -9.809 6.028 66 HH2 TRP 8 HH2 TRP 8 -4.845 -11.250 7.989 67 H LYS 9 H LYS 9 -10.542 -3.870 8.129 68 HA LYS 9 HA LYS 9 -9.935 -1.269 6.688 69 HB2 LYS 9 1HB LYS 9 -12.797 -2.328 7.140 70 HB3 LYS 9 2HB LYS 9 -12.394 -0.653 6.788 71 HG2 LYS 9 1HG LYS 9 -11.060 -1.572 4.698 72 HG3 LYS 9 2HG LYS 9 -11.921 -3.075 4.937 73 HD2 LYS 9 1HD LYS 9 -13.169 -0.270 4.502 74 HD3 LYS 9 2HD LYS 9 -12.860 -1.440 3.230 75 HE2 LYS 9 1HE LYS 9 -14.487 -3.079 4.293 76 HE3 LYS 9 2HE LYS 9 -14.804 -1.933 5.602 77 HZ1 LYS 9 3HZ LYS 9 -16.480 -1.659 3.759 78 HZ2 LYS 9 1HZ LYS 9 -15.584 -0.287 3.888 79 HZ3 LYS 9 2HZ LYS 9 -15.286 -1.340 2.673 80 H LEU 10 H LEU 10 -10.230 0.510 7.858 81 HA LEU 10 HA LEU 10 -9.026 0.170 10.388 82 HB2 LEU 10 1HB LEU 10 -8.609 1.942 8.628 83 HB3 LEU 10 2HB LEU 10 -10.079 2.766 9.148 84 HG LEU 10 HG LEU 10 -9.004 2.987 11.490 85 HD11 LEU 10 1HD1 LEU 10 -6.535 2.837 11.634 86 HD12 LEU 10 2HD1 LEU 10 -7.145 1.237 11.197 87 HD13 LEU 10 3HD1 LEU 10 -6.409 2.261 9.954 88 HD21 LEU 10 3HD2 LEU 10 -7.581 4.937 10.709 89 HD22 LEU 10 1HD2 LEU 10 -7.644 4.335 9.041 90 HD23 LEU 10 2HD2 LEU 10 -9.130 4.884 9.848 91 H SER 11 H SER 11 -9.638 0.255 12.402 92 HA SER 11 HA SER 11 -12.548 0.458 13.173 93 HB2 SER 11 1HB SER 11 -11.191 -1.593 13.778 94 HB3 SER 11 2HB SER 11 -10.167 -0.600 14.816 95 HG SER 11 HG SER 11 -12.224 0.049 15.865 96 H GLU 12 H GLU 12 -9.368 1.825 14.008 97 HA GLU 12 HA GLU 12 -10.740 4.320 14.967 98 HB2 GLU 12 1HB GLU 12 -9.207 4.676 16.898 99 HB3 GLU 12 2HB GLU 12 -10.433 3.446 17.119 100 HG2 GLU 12 1HG GLU 12 -8.898 1.634 16.902 101 HG3 GLU 12 2HG GLU 12 -7.582 2.637 16.290 102 H SER 13 H SER 13 -9.976 5.921 13.911 103 HA SER 13 HA SER 13 -7.122 6.055 12.816 104 HB2 SER 13 1HB SER 13 -8.869 6.840 11.289 105 HB3 SER 13 2HB SER 13 -9.564 7.919 12.504 106 HG SER 13 HG SER 13 -7.726 9.163 12.461 107 H HIS 14 H HIS 14 -6.098 6.034 14.856 108 HA HIS 14 HA HIS 14 -7.029 7.754 17.037 109 HB2 HIS 14 1HB HIS 14 -5.945 5.425 17.152 110 HB3 HIS 14 2HB HIS 14 -4.382 6.202 16.997 111 HD1 HIS 14 HD1 HIS 14 -6.790 4.986 19.432 112 HD2 HIS 14 HD2 HIS 14 -4.116 8.394 19.223 113 HE1 HIS 14 HE1 HIS 14 -6.333 5.946 21.819 114 HE2 HIS 14 HE2 HIS 14 -4.741 7.998 21.784 115 H ASN 15 H ASN 15 -3.946 7.962 15.291 116 HA ASN 15 HA ASN 15 -4.403 10.895 15.121 117 HB2 ASN 15 1HB ASN 15 -1.751 9.847 16.322 118 HB3 ASN 15 2HB ASN 15 -1.888 11.427 15.579 119 HD21 ASN 15 1HD2 ASN 15 -3.555 12.899 16.499 120 HD22 ASN 15 2HD2 ASN 15 -3.811 12.770 18.315 121 H PHE 16 H PHE 16 -4.832 8.943 13.268 122 HA PHE 16 HA PHE 16 -2.588 9.078 11.293 123 HB2 PHE 16 1HB PHE 16 -4.045 7.056 11.716 124 HB3 PHE 16 2HB PHE 16 -5.417 7.906 11.031 125 HD1 PHE 16 HD1 PHE 16 -1.787 7.361 10.010 126 HD2 PHE 16 HD2 PHE 16 -5.924 6.962 8.915 127 HE1 PHE 16 HE1 PHE 16 -1.123 6.512 7.764 128 HE2 PHE 16 HE2 PHE 16 -5.261 5.993 6.759 129 HZ PHE 16 HZ PHE 16 -2.895 5.777 6.150 130 H ASP 17 H ASP 17 -2.825 11.435 11.648 131 HA ASP 17 HA ASP 17 -4.335 12.897 9.497 132 HB2 ASP 17 1HB ASP 17 -5.044 14.484 11.370 133 HB3 ASP 17 2HB ASP 17 -5.817 12.921 11.289 134 H ALA 18 H ALA 18 -2.248 13.700 12.220 135 HA ALA 18 HA ALA 18 -0.679 15.716 10.587 136 HB1 ALA 18 3HB ALA 18 -1.243 16.068 13.089 137 HB2 ALA 18 1HB ALA 18 -0.086 14.757 13.460 138 HB3 ALA 18 2HB ALA 18 0.477 16.253 12.692 139 H VAL 19 H VAL 19 -0.279 12.447 11.552 140 HA VAL 19 HA VAL 19 2.546 11.979 11.056 141 HB VAL 19 HB VAL 19 0.795 10.433 12.101 142 HG11 VAL 19 1HG1 VAL 19 -0.392 8.822 10.886 143 HG12 VAL 19 2HG1 VAL 19 -0.907 10.427 10.314 144 HG13 VAL 19 3HG1 VAL 19 0.154 9.411 9.298 145 HG21 VAL 19 3HG2 VAL 19 3.115 9.724 11.728 146 HG22 VAL 19 1HG2 VAL 19 2.019 8.388 11.426 147 HG23 VAL 19 2HG2 VAL 19 2.744 9.234 10.046 148 H MET 20 H MET 20 -0.110 12.202 8.845 149 HA MET 20 HA MET 20 1.554 11.637 6.402 150 HB2 MET 20 1HB MET 20 -1.434 12.358 6.762 151 HB3 MET 20 2HB MET 20 -0.683 12.247 5.189 152 HG2 MET 20 1HG MET 20 -0.931 9.907 7.182 153 HG3 MET 20 2HG MET 20 -1.877 10.175 5.720 154 HE1 MET 20 3HE MET 20 1.788 9.349 7.121 155 HE2 MET 20 1HE MET 20 0.711 7.931 6.986 156 HE3 MET 20 2HE MET 20 2.148 8.069 5.933 157 H SER 21 H SER 21 -0.170 14.450 7.846 158 HA SER 21 HA SER 21 0.809 16.300 5.824 159 HB2 SER 21 1HB SER 21 -1.078 16.582 7.797 160 HB3 SER 21 2HB SER 21 0.233 17.314 8.674 161 HG SER 21 HG SER 21 0.550 18.753 6.922 162 H LYS 22 H LYS 22 2.342 15.405 8.922 163 HA LYS 22 HA LYS 22 4.635 17.230 8.533 164 HB2 LYS 22 1HB LYS 22 5.268 16.669 10.580 165 HB3 LYS 22 2HB LYS 22 3.655 16.045 10.711 166 HG2 LYS 22 1HG LYS 22 4.646 14.217 11.540 167 HG3 LYS 22 2HG LYS 22 4.770 13.721 9.880 168 HD2 LYS 22 1HD LYS 22 6.996 13.485 10.192 169 HD3 LYS 22 2HD LYS 22 7.160 15.214 10.119 170 HE2 LYS 22 1HE LYS 22 6.859 13.460 12.654 171 HE3 LYS 22 2HE LYS 22 8.335 14.163 12.084 172 HZ1 LYS 22 3HZ LYS 22 6.001 15.799 13.096 173 HZ2 LYS 22 1HZ LYS 22 7.354 15.407 13.975 174 HZ3 LYS 22 2HZ LYS 22 7.478 16.412 12.660 175 H LEU 23 H LEU 23 3.953 14.104 7.253 176 HA LEU 23 HA LEU 23 6.635 13.689 5.973 177 HB2 LEU 23 1HB LEU 23 4.810 11.838 6.458 178 HB3 LEU 23 2HB LEU 23 3.932 12.516 5.113 179 HG LEU 23 HG LEU 23 6.337 12.261 3.852 180 HD11 LEU 23 1HD1 LEU 23 6.487 9.812 5.718 181 HD12 LEU 23 2HD1 LEU 23 7.725 10.499 4.632 182 HD13 LEU 23 3HD1 LEU 23 7.320 11.306 6.149 183 HD21 LEU 23 3HD2 LEU 23 5.551 10.070 2.965 184 HD22 LEU 23 1HD2 LEU 23 4.416 9.878 4.313 185 HD23 LEU 23 2HD2 LEU 23 4.185 11.182 3.123 186 H GLY 24 H GLY 24 3.459 14.996 5.007 187 HA2 GLY 24 1HA GLY 24 3.620 17.285 3.849 188 HA3 GLY 24 2HA GLY 24 4.824 16.615 2.767 189 H VAL 25 H VAL 25 1.550 15.754 3.803 190 HA VAL 25 HA VAL 25 0.931 14.742 1.070 191 HB VAL 25 HB VAL 25 -0.310 14.251 3.836 192 HG11 VAL 25 1HG1 VAL 25 -0.892 12.712 1.207 193 HG12 VAL 25 2HG1 VAL 25 -1.506 12.317 2.838 194 HG13 VAL 25 3HG1 VAL 25 -2.038 13.789 2.015 195 HG21 VAL 25 3HG2 VAL 25 0.842 11.965 3.533 196 HG22 VAL 25 1HG2 VAL 25 1.525 12.522 1.985 197 HG23 VAL 25 2HG2 VAL 25 2.009 13.299 3.509 198 H SER 26 H SER 26 -0.557 15.391 -0.236 199 HA SER 26 HA SER 26 -1.560 17.994 -0.216 200 HB2 SER 26 1HB SER 26 -2.593 15.581 -1.849 201 HB3 SER 26 2HB SER 26 -2.988 17.258 -2.223 202 HG SER 26 HG SER 26 -0.399 15.997 -2.249 203 H TRP 27 H TRP 27 -3.588 18.979 -0.333 204 HA TRP 27 HA TRP 27 -5.539 18.183 1.766 205 HB2 TRP 27 1HB TRP 27 -5.218 20.589 -0.133 206 HB3 TRP 27 2HB TRP 27 -6.744 20.380 0.674 207 HD1 TRP 27 HD1 TRP 27 -3.154 21.597 1.521 208 HE1 TRP 27 HE1 TRP 27 -3.147 22.680 3.913 209 HE3 TRP 27 HE3 TRP 27 -7.764 19.882 2.991 210 HZ2 TRP 27 HZ2 TRP 27 -4.908 22.509 6.168 211 HZ3 TRP 27 HZ3 TRP 27 -8.508 20.311 5.296 212 HH2 TRP 27 HH2 TRP 27 -7.124 21.624 6.864 213 H ALA 28 H ALA 28 -5.762 16.227 0.544 214 HA ALA 28 HA ALA 28 -8.598 15.784 -0.047 215 HB1 ALA 28 3HB ALA 28 -6.713 15.441 -2.497 216 HB2 ALA 28 1HB ALA 28 -8.412 14.922 -2.403 217 HB3 ALA 28 2HB ALA 28 -8.015 16.639 -2.355 218 H THR 29 H THR 29 -5.345 14.480 -0.613 219 HA THR 29 HA THR 29 -6.094 11.665 0.085 220 HB THR 29 HB THR 29 -3.577 11.243 -0.023 221 HG1 THR 29 HG1 THR 29 -2.577 13.128 -1.248 222 HG21 THR 29 3HG2 THR 29 -4.534 12.659 -2.573 223 HG22 THR 29 1HG2 THR 29 -3.320 11.364 -2.391 224 HG23 THR 29 2HG2 THR 29 -5.027 11.018 -2.101 225 H ARG 30 H ARG 30 -4.765 14.336 1.906 226 HA ARG 30 HA ARG 30 -3.900 12.652 4.192 227 HB2 ARG 30 1HB ARG 30 -3.140 15.093 3.550 228 HB3 ARG 30 2HB ARG 30 -4.663 15.632 4.190 229 HG2 ARG 30 1HG ARG 30 -3.434 13.914 6.241 230 HG3 ARG 30 2HG ARG 30 -2.130 14.831 5.540 231 HD2 ARG 30 1HD ARG 30 -4.758 16.100 6.625 232 HD3 ARG 30 2HD ARG 30 -3.340 15.812 7.592 233 HE ARG 30 HE ARG 30 -1.992 17.449 6.296 234 HH11 ARG 30 1HH1 ARG 30 -5.417 17.573 5.500 235 HH12 ARG 30 2HH1 ARG 30 -5.173 19.230 4.767 236 HH21 ARG 30 1HH2 ARG 30 -1.806 19.197 5.379 237 HH22 ARG 30 2HH2 ARG 30 -3.223 20.066 4.623 238 H GLN 31 H GLN 31 -6.913 13.377 3.039 239 HA GLN 31 HA GLN 31 -8.365 13.158 5.728 240 HB2 GLN 31 1HB GLN 31 -9.272 14.366 3.037 241 HB3 GLN 31 2HB GLN 31 -10.402 13.947 4.310 242 HG2 GLN 31 1HG GLN 31 -10.036 16.258 4.584 243 HG3 GLN 31 2HG GLN 31 -9.270 15.473 5.941 244 HE21 GLN 31 1HE2 GLN 31 -8.381 16.529 2.666 245 HE22 GLN 31 2HE2 GLN 31 -6.744 17.160 3.199 246 H ILE 32 H ILE 32 -8.108 11.647 2.519 247 HA ILE 32 HA ILE 32 -10.318 9.662 2.964 248 HB ILE 32 HB ILE 32 -8.383 10.270 0.757 249 HG12 ILE 32 1HG1 ILE 32 -10.369 9.825 -0.681 250 HG13 ILE 32 2HG1 ILE 32 -11.303 9.278 0.693 251 HG21 ILE 32 1HG2 ILE 32 -8.715 8.214 -0.509 252 HG22 ILE 32 2HG2 ILE 32 -7.843 7.819 0.974 253 HG23 ILE 32 3HG2 ILE 32 -9.570 7.419 0.829 254 HD11 ILE 32 3HD1 ILE 32 -11.785 11.673 -0.077 255 HD12 ILE 32 1HD1 ILE 32 -11.336 11.595 1.642 256 HD13 ILE 32 2HD1 ILE 32 -10.146 12.139 0.446 257 H GLY 33 H GLY 33 -6.947 9.815 3.604 258 HA2 GLY 33 1HA GLY 33 -6.356 7.103 4.638 259 HA3 GLY 33 2HA GLY 33 -5.681 8.576 5.309 260 H ASN 34 H ASN 34 -7.616 9.895 6.527 261 HA ASN 34 HA ASN 34 -8.859 8.014 8.534 262 HB2 ASN 34 1HB ASN 34 -9.060 10.022 9.952 263 HB3 ASN 34 2HB ASN 34 -7.426 9.731 9.407 264 HD21 ASN 34 1HD2 ASN 34 -6.434 11.566 8.992 265 HD22 ASN 34 2HD2 ASN 34 -7.202 13.015 8.141 266 H THR 35 H THR 35 -10.122 8.127 5.968 267 HA THR 35 HA THR 35 -12.929 8.774 6.872 268 HB THR 35 HB THR 35 -11.753 10.088 4.382 269 HG1 THR 35 HG1 THR 35 -11.147 11.178 6.146 270 HG21 THR 35 3HG2 THR 35 -14.588 10.381 5.539 271 HG22 THR 35 1HG2 THR 35 -13.893 11.299 4.182 272 HG23 THR 35 2HG2 THR 35 -14.188 9.558 4.009 273 H VAL 36 H VAL 36 -11.279 7.867 3.768 274 HA VAL 36 HA VAL 36 -13.287 5.597 3.608 275 HB VAL 36 HB VAL 36 -11.756 6.715 1.216 276 HG11 VAL 36 1HG1 VAL 36 -13.531 5.396 -0.029 277 HG12 VAL 36 2HG1 VAL 36 -12.772 4.318 1.161 278 HG13 VAL 36 3HG1 VAL 36 -14.368 5.023 1.482 279 HG21 VAL 36 3HG2 VAL 36 -14.102 7.758 0.602 280 HG22 VAL 36 1HG2 VAL 36 -14.419 7.682 2.375 281 HG23 VAL 36 2HG2 VAL 36 -13.072 8.606 1.777 282 H THR 37 H THR 37 -12.217 4.285 4.788 283 HA THR 37 HA THR 37 -9.723 4.310 5.577 284 HB THR 37 HB THR 37 -9.931 2.212 6.688 285 HG1 THR 37 HG1 THR 37 -10.845 1.315 4.468 286 HG21 THR 37 3HG2 THR 37 -12.006 2.406 7.839 287 HG22 THR 37 1HG2 THR 37 -11.897 4.030 7.081 288 HG23 THR 37 2HG2 THR 37 -12.916 2.783 6.369 289 HA PRO 38 HA PRO 38 -6.844 2.275 2.577 290 HB2 PRO 38 1HB PRO 38 -4.707 1.621 4.248 291 HB3 PRO 38 2HB PRO 38 -5.067 3.221 3.565 292 HG2 PRO 38 1HG PRO 38 -5.807 2.180 6.353 293 HG3 PRO 38 2HG PRO 38 -5.039 3.725 5.946 294 HD2 PRO 38 1HD PRO 38 -7.745 3.547 6.428 295 HD3 PRO 38 2HD PRO 38 -7.150 4.653 5.151 296 H THR 39 H THR 39 -8.188 0.642 2.066 297 HA THR 39 HA THR 39 -8.762 -1.690 3.680 298 HB THR 39 HB THR 39 -9.148 -1.290 0.669 299 HG1 THR 39 HG1 THR 39 -10.481 0.105 1.145 300 HG21 THR 39 3HG2 THR 39 -10.718 -3.084 2.634 301 HG22 THR 39 1HG2 THR 39 -11.179 -2.726 0.952 302 HG23 THR 39 2HG2 THR 39 -9.692 -3.630 1.282 303 H VAL 40 H VAL 40 -6.468 -2.038 4.083 304 HA VAL 40 HA VAL 40 -4.667 -3.128 2.172 305 HB VAL 40 HB VAL 40 -3.109 -3.734 3.959 306 HG11 VAL 40 1HG1 VAL 40 -3.214 -1.419 2.975 307 HG12 VAL 40 2HG1 VAL 40 -4.312 -0.907 4.273 308 HG13 VAL 40 3HG1 VAL 40 -2.654 -1.411 4.659 309 HG21 VAL 40 3HG2 VAL 40 -4.537 -4.384 5.892 310 HG22 VAL 40 1HG2 VAL 40 -3.514 -3.014 6.329 311 HG23 VAL 40 2HG2 VAL 40 -5.239 -2.753 5.985 312 H THR 41 H THR 41 -5.482 -4.697 1.070 313 HA THR 41 HA THR 41 -6.635 -7.149 2.306 314 HB THR 41 HB THR 41 -6.654 -6.117 -0.536 315 HG1 THR 41 HG1 THR 41 -7.776 -4.852 0.837 316 HG21 THR 41 3HG2 THR 41 -8.109 -8.548 0.672 317 HG22 THR 41 1HG2 THR 41 -8.636 -7.683 -0.799 318 HG23 THR 41 2HG2 THR 41 -7.066 -8.502 -0.747 319 H PHE 42 H PHE 42 -5.205 -8.474 3.031 320 HA PHE 42 HA PHE 42 -2.554 -8.814 1.626 321 HB2 PHE 42 1HB PHE 42 -3.488 -8.745 4.478 322 HB3 PHE 42 2HB PHE 42 -2.627 -10.208 4.210 323 HD1 PHE 42 HD1 PHE 42 -0.358 -9.863 2.664 324 HD2 PHE 42 HD2 PHE 42 -2.150 -6.935 5.254 325 HE1 PHE 42 HE1 PHE 42 1.821 -8.747 2.914 326 HE2 PHE 42 HE2 PHE 42 0.014 -5.840 5.526 327 HZ PHE 42 HZ PHE 42 2.041 -6.745 4.350 328 H THR 43 H THR 43 -2.550 -10.305 0.266 329 HA THR 43 HA THR 43 -3.856 -13.030 0.731 330 HB THR 43 HB THR 43 -4.643 -12.917 -1.603 331 HG1 THR 43 HG1 THR 43 -3.469 -10.325 -1.591 332 HG21 THR 43 3HG2 THR 43 -5.489 -10.184 -0.479 333 HG22 THR 43 1HG2 THR 43 -6.459 -11.384 -1.363 334 HG23 THR 43 2HG2 THR 43 -5.989 -11.652 0.348 335 H MET 44 H MET 44 -2.749 -14.828 -0.085 336 HA MET 44 HA MET 44 0.079 -14.377 -1.035 337 HB2 MET 44 1HB MET 44 0.544 -16.689 -0.693 338 HB3 MET 44 2HB MET 44 -0.038 -15.875 0.739 339 HG2 MET 44 1HG MET 44 -2.311 -17.022 0.458 340 HG3 MET 44 2HG MET 44 -1.667 -17.883 -0.954 341 HE1 MET 44 3HE MET 44 -1.704 -20.556 1.992 342 HE2 MET 44 1HE MET 44 -2.849 -19.200 1.793 343 HE3 MET 44 2HE MET 44 -2.330 -20.151 0.368 344 H ASP 45 H ASP 45 0.384 -14.052 -3.123 345 HA ASP 45 HA ASP 45 -1.581 -15.092 -5.199 346 HB2 ASP 45 1HB ASP 45 -0.961 -12.666 -5.059 347 HB3 ASP 45 2HB ASP 45 0.724 -13.053 -5.415 348 H GLY 46 H GLY 46 -0.924 -17.220 -4.913 349 HA2 GLY 46 1HA GLY 46 0.093 -19.188 -5.993 350 HA3 GLY 46 2HA GLY 46 1.328 -18.177 -6.712 351 H ASP 47 H ASP 47 2.712 -17.123 -4.981 352 HA ASP 47 HA ASP 47 3.465 -19.007 -2.722 353 HB2 ASP 47 1HB ASP 47 5.117 -19.351 -4.557 354 HB3 ASP 47 2HB ASP 47 5.475 -17.632 -4.629 355 H LYS 48 H LYS 48 4.200 -15.757 -4.011 356 HA LYS 48 HA LYS 48 4.640 -14.850 -1.197 357 HB2 LYS 48 1HB LYS 48 6.074 -13.238 -2.008 358 HB3 LYS 48 2HB LYS 48 6.373 -14.710 -2.899 359 HG2 LYS 48 1HG LYS 48 5.071 -13.695 -4.884 360 HG3 LYS 48 2HG LYS 48 4.879 -12.212 -3.938 361 HD2 LYS 48 1HD LYS 48 7.415 -12.061 -3.701 362 HD3 LYS 48 2HD LYS 48 7.598 -13.486 -4.709 363 HE2 LYS 48 1HE LYS 48 6.331 -10.799 -5.588 364 HE3 LYS 48 2HE LYS 48 7.990 -11.301 -5.889 365 HZ1 LYS 48 2HZ LYS 48 6.462 -11.724 -7.783 366 HZ3 LYS 48 1HZ LYS 48 5.631 -12.818 -6.897 367 H MET 49 H MET 49 4.214 -12.355 -0.880 368 HA MET 49 HA MET 49 1.223 -12.573 -0.521 369 HB2 MET 49 1HB MET 49 1.419 -11.303 1.545 370 HB3 MET 49 2HB MET 49 2.342 -12.777 1.527 371 HG2 MET 49 1HG MET 49 4.390 -11.027 0.860 372 HG3 MET 49 2HG MET 49 3.357 -9.930 1.755 373 HE1 MET 49 3HE MET 49 3.170 -10.038 4.491 374 HE2 MET 49 1HE MET 49 2.019 -11.354 4.115 375 HE3 MET 49 2HE MET 49 3.289 -11.601 5.344 376 H THR 50 H THR 50 -0.173 -10.974 -1.007 377 HA THR 50 HA THR 50 0.938 -8.495 -2.392 378 HB THR 50 HB THR 50 -1.535 -10.196 -3.175 379 HG1 THR 50 HG1 THR 50 0.460 -11.202 -3.572 380 HG21 THR 50 3HG2 THR 50 -1.762 -7.812 -3.901 381 HG22 THR 50 1HG2 THR 50 -0.191 -7.872 -4.691 382 HG23 THR 50 2HG2 THR 50 -1.500 -8.902 -5.286 383 H MET 51 H MET 51 0.208 -6.732 -1.605 384 HA MET 51 HA MET 51 -2.301 -6.565 0.124 385 HB2 MET 51 1HB MET 51 -0.106 -4.511 -0.443 386 HB3 MET 51 2HB MET 51 -1.668 -4.012 0.163 387 HG2 MET 51 1HG MET 51 -1.449 -5.159 2.266 388 HG3 MET 51 2HG MET 51 -0.156 -6.203 1.681 389 HE1 MET 51 3HE MET 51 -0.807 -2.916 3.674 390 HE2 MET 51 1HE MET 51 0.342 -1.768 2.923 391 HE3 MET 51 2HE MET 51 -1.063 -2.357 1.993 392 H LEU 52 H LEU 52 -3.988 -6.722 -1.207 393 HA LEU 52 HA LEU 52 -4.205 -5.148 -3.766 394 HB2 LEU 52 1HB LEU 52 -6.358 -6.890 -2.440 395 HB3 LEU 52 2HB LEU 52 -6.362 -6.293 -4.069 396 HG LEU 52 HG LEU 52 -4.176 -8.191 -2.981 397 HD11 LEU 52 1HD1 LEU 52 -5.288 -10.080 -3.842 398 HD12 LEU 52 2HD1 LEU 52 -6.472 -9.270 -2.809 399 HD13 LEU 52 3HD1 LEU 52 -6.629 -9.133 -4.575 400 HD21 LEU 52 3HD2 LEU 52 -5.027 -7.448 -5.867 401 HD22 LEU 52 1HD2 LEU 52 -3.514 -7.025 -5.014 402 HD23 LEU 52 2HD2 LEU 52 -3.850 -8.714 -5.441 403 H THR 53 H THR 53 -3.765 -3.271 -2.389 404 HA THR 53 HA THR 53 -5.495 -2.274 -0.371 405 HB THR 53 HB THR 53 -3.321 -0.941 -2.070 406 HG1 THR 53 HG1 THR 53 -2.119 -1.399 -0.260 407 HG21 THR 53 3HG2 THR 53 -4.591 0.041 0.582 408 HG22 THR 53 1HG2 THR 53 -3.072 0.672 -0.125 409 HG23 THR 53 2HG2 THR 53 -4.614 0.906 -0.976 410 H GLU 54 H GLU 54 -7.473 -1.604 -0.599 411 HA GLU 54 HA GLU 54 -8.347 0.029 -3.013 412 HB2 GLU 54 1HB GLU 54 -9.706 -2.200 -1.391 413 HB3 GLU 54 2HB GLU 54 -10.654 -1.119 -2.394 414 HG2 GLU 54 1HG GLU 54 -8.344 -2.880 -3.436 415 HG3 GLU 54 2HG GLU 54 -10.057 -3.254 -3.539 416 H SER 55 H SER 55 -7.763 1.915 -1.953 417 HA SER 55 HA SER 55 -9.983 3.083 -0.174 418 HB2 SER 55 1HB SER 55 -7.021 3.832 -0.518 419 HB3 SER 55 2HB SER 55 -8.118 5.175 -0.347 420 HG SER 55 HG SER 55 -8.904 4.315 1.617 421 H THR 56 H THR 56 -10.802 5.249 -0.919 422 HA THR 56 HA THR 56 -11.413 5.548 -3.662 423 HB THR 56 HB THR 56 -11.214 7.705 -1.491 424 HG1 THR 56 HG1 THR 56 -13.518 6.687 -2.708 425 HG21 THR 56 3HG2 THR 56 -11.283 8.986 -3.646 426 HG22 THR 56 1HG2 THR 56 -12.625 7.988 -4.234 427 HG23 THR 56 2HG2 THR 56 -12.846 9.056 -2.824 428 H PHE 57 H PHE 57 -8.579 7.024 -2.162 429 HA PHE 57 HA PHE 57 -7.618 8.009 -4.860 430 HB2 PHE 57 1HB PHE 57 -6.898 8.644 -1.936 431 HB3 PHE 57 2HB PHE 57 -5.717 8.996 -3.148 432 HD1 PHE 57 HD1 PHE 57 -7.330 10.108 -5.488 433 HD2 PHE 57 HD2 PHE 57 -7.909 10.667 -1.260 434 HE1 PHE 57 HE1 PHE 57 -8.756 11.998 -5.932 435 HE2 PHE 57 HE2 PHE 57 -9.296 12.640 -1.720 436 HZ PHE 57 HZ PHE 57 -9.740 13.326 -4.059 437 H LYS 58 H LYS 58 -6.811 5.581 -2.582 438 HA LYS 58 HA LYS 58 -4.692 4.591 -4.577 439 HB2 LYS 58 1HB LYS 58 -4.414 4.284 -1.534 440 HB3 LYS 58 2HB LYS 58 -3.560 3.311 -2.720 441 HG2 LYS 58 1HG LYS 58 -2.695 5.549 -3.786 442 HG3 LYS 58 2HG LYS 58 -3.270 6.367 -2.346 443 HD2 LYS 58 1HD LYS 58 -1.292 3.980 -2.426 444 HD3 LYS 58 2HD LYS 58 -0.793 5.652 -2.372 445 HE2 LYS 58 1HE LYS 58 -1.868 5.977 -0.112 446 HE3 LYS 58 2HE LYS 58 -2.481 4.319 -0.155 447 HZ1 LYS 58 3HZ LYS 58 -0.332 4.000 0.925 448 HZ2 LYS 58 1HZ LYS 58 0.070 3.677 -0.639 449 HZ3 LYS 58 2HZ LYS 58 0.432 5.125 0.002 450 H ASN 59 H ASN 59 -6.797 3.853 -5.428 451 HA ASN 59 HA ASN 59 -7.335 1.026 -4.452 452 HB2 ASN 59 1HB ASN 59 -9.020 0.831 -6.096 453 HB3 ASN 59 2HB ASN 59 -9.271 2.225 -5.109 454 HD21 ASN 59 1HD2 ASN 59 -9.280 1.160 -8.241 455 HD22 ASN 59 2HD2 ASN 59 -9.257 2.823 -9.036 456 H LEU 60 H LEU 60 -5.354 0.124 -4.623 457 HA LEU 60 HA LEU 60 -4.390 -0.596 -7.333 458 HB2 LEU 60 1HB LEU 60 -2.121 0.419 -7.162 459 HB3 LEU 60 2HB LEU 60 -3.439 1.552 -7.268 460 HG LEU 60 HG LEU 60 -3.259 1.610 -4.564 461 HD11 LEU 60 1HD1 LEU 60 -1.378 -0.092 -4.352 462 HD12 LEU 60 2HD1 LEU 60 -0.352 0.881 -5.415 463 HD13 LEU 60 3HD1 LEU 60 -0.838 1.500 -3.822 464 HD21 LEU 60 3HD2 LEU 60 -1.292 3.084 -6.466 465 HD22 LEU 60 1HD2 LEU 60 -2.960 3.585 -6.090 466 HD23 LEU 60 2HD2 LEU 60 -1.720 3.598 -4.820 467 H SER 61 H SER 61 -3.157 -2.396 -7.457 468 HA SER 61 HA SER 61 -2.660 -3.900 -4.889 469 HB2 SER 61 1HB SER 61 -2.373 -5.893 -6.388 470 HB3 SER 61 2HB SER 61 -3.959 -5.106 -6.564 471 HG SER 61 HG SER 61 -2.870 -5.698 -8.564 472 H VAL 62 H VAL 62 -0.673 -4.550 -4.180 473 HA VAL 62 HA VAL 62 1.703 -4.434 -6.046 474 HB VAL 62 HB VAL 62 2.956 -3.801 -3.786 475 HG11 VAL 62 1HG1 VAL 62 3.177 -1.472 -4.663 476 HG12 VAL 62 2HG1 VAL 62 3.270 -2.657 -5.971 477 HG13 VAL 62 3HG1 VAL 62 1.776 -1.724 -5.734 478 HG21 VAL 62 3HG2 VAL 62 1.924 -1.936 -2.567 479 HG22 VAL 62 1HG2 VAL 62 0.431 -2.058 -3.533 480 HG23 VAL 62 2HG2 VAL 62 0.862 -3.368 -2.411 481 H THR 63 H THR 63 3.044 -6.068 -5.881 482 HA THR 63 HA THR 63 2.465 -8.329 -3.902 483 HB THR 63 HB THR 63 3.221 -8.734 -6.869 484 HG1 THR 63 HG1 THR 63 0.881 -9.617 -5.545 485 HG21 THR 63 3HG2 THR 63 2.761 -11.163 -6.420 486 HG22 THR 63 1HG2 THR 63 4.109 -10.608 -5.397 487 HG23 THR 63 2HG2 THR 63 2.534 -10.836 -4.689 488 H PHE 64 H PHE 64 4.080 -9.325 -3.107 489 HA PHE 64 HA PHE 64 6.980 -8.755 -3.538 490 HB2 PHE 64 1HB PHE 64 7.142 -7.425 -1.278 491 HB3 PHE 64 2HB PHE 64 6.598 -6.631 -2.720 492 HD1 PHE 64 HD1 PHE 64 4.771 -8.677 -0.004 493 HD2 PHE 64 HD2 PHE 64 4.801 -5.152 -2.469 494 HE1 PHE 64 HE1 PHE 64 2.613 -7.990 0.898 495 HE2 PHE 64 HE2 PHE 64 2.743 -4.394 -1.391 496 HZ PHE 64 HZ PHE 64 1.648 -5.816 0.308 497 H LYS 65 H LYS 65 8.293 -9.442 -1.687 498 HA LYS 65 HA LYS 65 7.057 -11.814 -0.192 499 HB2 LYS 65 1HB LYS 65 8.963 -13.082 -0.163 500 HB3 LYS 65 2HB LYS 65 8.716 -12.619 -1.816 501 HG2 LYS 65 1HG LYS 65 10.575 -11.123 -1.873 502 HG3 LYS 65 2HG LYS 65 10.732 -11.005 -0.124 503 HD2 LYS 65 1HD LYS 65 11.580 -13.267 0.127 504 HD3 LYS 65 2HD LYS 65 11.026 -13.752 -1.465 505 HE2 LYS 65 1HE LYS 65 13.335 -13.603 -1.691 506 HE3 LYS 65 2HE LYS 65 12.662 -12.242 -2.589 507 HZ1 LYS 65 3HZ LYS 65 14.044 -10.871 -1.453 508 HZ2 LYS 65 1HZ LYS 65 13.289 -11.166 -0.039 509 HZ3 LYS 65 2HZ LYS 65 14.593 -12.088 -0.455 510 H PHE 66 H PHE 66 8.410 -12.318 1.860 511 HA PHE 66 HA PHE 66 8.301 -9.814 3.528 512 HB2 PHE 66 1HB PHE 66 8.315 -11.274 5.453 513 HB3 PHE 66 2HB PHE 66 6.928 -11.366 4.427 514 HD1 PHE 66 HD1 PHE 66 10.238 -13.232 4.967 515 HD2 PHE 66 HD2 PHE 66 6.019 -13.536 4.124 516 HE1 PHE 66 HE1 PHE 66 10.367 -15.672 5.157 517 HE2 PHE 66 HE2 PHE 66 6.173 -15.980 4.310 518 HZ PHE 66 HZ PHE 66 8.337 -17.059 4.830 519 H GLY 67 H GLY 67 10.286 -9.707 1.906 520 HA2 GLY 67 1HA GLY 67 12.463 -8.872 3.582 521 HA3 GLY 67 2HA GLY 67 12.992 -10.406 2.900 522 H GLU 68 H GLU 68 11.212 -7.607 1.618 523 HA GLU 68 HA GLU 68 13.439 -6.877 -0.311 524 HB2 GLU 68 1HB GLU 68 10.565 -7.627 -1.232 525 HB3 GLU 68 2HB GLU 68 11.655 -6.668 -2.216 526 HG2 GLU 68 1HG GLU 68 12.117 -9.553 -1.379 527 HG3 GLU 68 2HG GLU 68 11.622 -8.982 -2.964 528 H GLU 69 H GLU 69 13.119 -4.843 -1.289 529 HA GLU 69 HA GLU 69 11.121 -2.922 -0.018 530 HB2 GLU 69 1HB GLU 69 13.499 -2.344 -1.870 531 HB3 GLU 69 2HB GLU 69 12.184 -1.204 -1.614 532 HG2 GLU 69 1HG GLU 69 12.584 -1.344 0.916 533 HG3 GLU 69 2HG GLU 69 14.055 -2.271 0.597 534 H PHE 70 H PHE 70 9.185 -3.068 -0.873 535 HA PHE 70 HA PHE 70 8.746 -3.374 -3.849 536 HB2 PHE 70 1HB PHE 70 6.500 -3.500 -3.595 537 HB3 PHE 70 2HB PHE 70 7.187 -4.504 -2.367 538 HD1 PHE 70 HD1 PHE 70 5.239 -1.368 -3.011 539 HD2 PHE 70 HD2 PHE 70 6.704 -4.067 -0.007 540 HE1 PHE 70 HE1 PHE 70 3.603 -0.472 -1.406 541 HE2 PHE 70 HE2 PHE 70 4.989 -3.257 1.544 542 HZ PHE 70 HZ PHE 70 3.447 -1.426 0.871 543 H ASP 71 H ASP 71 7.767 -1.529 -5.083 544 HA ASP 71 HA ASP 71 7.602 1.108 -3.563 545 HB2 ASP 71 1HB ASP 71 8.160 2.342 -5.487 546 HB3 ASP 71 2HB ASP 71 9.401 1.163 -5.147 547 H GLU 72 H GLU 72 5.949 2.515 -3.797 548 HA GLU 72 HA GLU 72 3.593 1.740 -5.532 549 HB2 GLU 72 1HB GLU 72 1.903 2.089 -3.878 550 HB3 GLU 72 2HB GLU 72 2.932 0.762 -3.398 551 HG2 GLU 72 1HG GLU 72 3.949 2.026 -1.575 552 HG3 GLU 72 2HG GLU 72 3.409 3.562 -2.192 553 H LYS 73 H LYS 73 2.553 3.454 -6.405 554 HA LYS 73 HA LYS 73 3.572 6.220 -5.635 555 HB2 LYS 73 1HB LYS 73 3.325 7.186 -7.649 556 HB3 LYS 73 2HB LYS 73 4.179 5.699 -7.879 557 HG2 LYS 73 1HG LYS 73 2.837 5.121 -9.509 558 HG3 LYS 73 2HG LYS 73 1.485 4.940 -8.403 559 HD2 LYS 73 1HD LYS 73 2.293 7.499 -9.923 560 HD3 LYS 73 2HD LYS 73 1.084 6.359 -10.462 561 HE2 LYS 73 1HE LYS 73 0.918 8.127 -7.938 562 HE3 LYS 73 2HE LYS 73 0.100 8.428 -9.465 563 HZ1 LYS 73 3HZ LYS 73 -1.500 7.315 -8.006 564 HZ2 LYS 73 1HZ LYS 73 -1.054 6.137 -9.078 565 HZ3 LYS 73 2HZ LYS 73 -0.419 6.159 -7.553 566 H THR 74 H THR 74 2.413 7.599 -4.749 567 HA THR 74 HA THR 74 -0.391 7.054 -4.028 568 HB THR 74 HB THR 74 -0.121 8.959 -2.497 569 HG1 THR 74 HG1 THR 74 2.022 9.997 -2.572 570 HG21 THR 74 3HG2 THR 74 1.901 8.329 -1.192 571 HG22 THR 74 1HG2 THR 74 1.130 6.842 -1.790 572 HG23 THR 74 2HG2 THR 74 2.586 7.457 -2.581 573 H SER 75 H SER 75 -2.280 8.354 -4.416 574 HA SER 75 HA SER 75 -2.425 10.059 -6.776 575 HB2 SER 75 1HB SER 75 -4.397 8.896 -5.695 576 HB3 SER 75 2HB SER 75 -4.339 10.075 -4.381 577 HG SER 75 HG SER 75 -4.404 11.689 -6.223 578 H ASP 76 H ASP 76 -1.326 10.924 -3.651 579 HA ASP 76 HA ASP 76 -1.241 13.853 -3.936 580 HB2 ASP 76 1HB ASP 76 -1.041 12.481 -1.827 581 HB3 ASP 76 2HB ASP 76 0.443 11.775 -2.415 582 H GLY 77 H GLY 77 0.660 11.221 -5.297 583 HA2 GLY 77 1HA GLY 77 1.697 11.500 -7.475 584 HA3 GLY 77 2HA GLY 77 2.063 13.178 -7.130 585 H ARG 78 H ARG 78 2.948 9.867 -5.895 586 HA ARG 78 HA ARG 78 5.807 10.769 -5.544 587 HB2 ARG 78 1HB ARG 78 4.352 10.004 -2.938 588 HB3 ARG 78 2HB ARG 78 5.995 10.581 -3.166 589 HG2 ARG 78 1HG ARG 78 4.854 12.850 -3.991 590 HG3 ARG 78 2HG ARG 78 3.357 12.144 -3.412 591 HD2 ARG 78 1HD ARG 78 4.539 11.857 -1.087 592 HD3 ARG 78 2HD ARG 78 5.855 12.846 -1.699 593 HE ARG 78 HE ARG 78 2.924 13.675 -1.224 594 HH11 ARG 78 1HH1 ARG 78 6.024 14.798 -2.376 595 HH12 ARG 78 2HH1 ARG 78 5.344 16.466 -2.721 596 HH21 ARG 78 1HH2 ARG 78 2.193 15.458 -1.737 597 HH22 ARG 78 2HH2 ARG 78 3.259 16.825 -2.322 598 H ASN 79 H ASN 79 6.761 8.988 -6.361 599 HA ASN 79 HA ASN 79 5.734 6.232 -5.851 600 HB2 ASN 79 1HB ASN 79 6.780 7.063 -8.036 601 HB3 ASN 79 2HB ASN 79 8.354 7.011 -7.259 602 HD21 ASN 79 1HD2 ASN 79 9.278 4.899 -7.024 603 HD22 ASN 79 2HD2 ASN 79 8.395 3.397 -7.658 604 H VAL 80 H VAL 80 6.031 5.372 -3.860 605 HA VAL 80 HA VAL 80 8.512 6.205 -2.242 606 HB VAL 80 HB VAL 80 7.339 6.053 -0.228 607 HG11 VAL 80 1HG1 VAL 80 5.720 7.905 -2.118 608 HG12 VAL 80 2HG1 VAL 80 6.003 8.148 -0.383 609 HG13 VAL 80 3HG1 VAL 80 7.355 8.253 -1.533 610 HG21 VAL 80 3HG2 VAL 80 5.463 4.414 -0.666 611 HG22 VAL 80 1HG2 VAL 80 4.873 5.923 0.045 612 HG23 VAL 80 2HG2 VAL 80 4.644 5.607 -1.696 613 H LYS 81 H LYS 81 9.374 4.617 -0.939 614 HA LYS 81 HA LYS 81 9.098 1.831 -2.133 615 HB2 LYS 81 1HB LYS 81 11.563 3.376 -1.176 616 HB3 LYS 81 2HB LYS 81 11.574 1.616 -1.148 617 HG2 LYS 81 1HG LYS 81 11.201 1.402 -3.532 618 HG3 LYS 81 2HG LYS 81 10.704 3.072 -3.700 619 HD2 LYS 81 1HD LYS 81 12.778 3.027 -4.651 620 HD3 LYS 81 2HD LYS 81 13.015 3.892 -3.154 621 HE2 LYS 81 1HE LYS 81 13.650 0.855 -3.402 622 HE3 LYS 81 2HE LYS 81 14.759 2.061 -4.042 623 HZ1 LYS 81 3HZ LYS 81 14.841 3.059 -1.663 624 HZ2 LYS 81 1HZ LYS 81 13.958 1.743 -1.127 625 HZ3 LYS 81 2HZ LYS 81 15.363 1.470 -1.714 626 H SER 82 H SER 82 9.518 0.077 -0.595 627 HA SER 82 HA SER 82 8.973 0.649 2.332 628 HB2 SER 82 1HB SER 82 6.974 -0.697 0.432 629 HB3 SER 82 2HB SER 82 6.846 -0.816 2.194 630 HG SER 82 HG SER 82 7.238 1.724 1.064 631 H VAL 83 H VAL 83 10.543 -0.473 3.223 632 HA VAL 83 HA VAL 83 11.409 -3.148 2.244 633 HB VAL 83 HB VAL 83 12.999 -1.526 3.080 634 HG11 VAL 83 1HG1 VAL 83 12.031 -2.004 5.939 635 HG12 VAL 83 2HG1 VAL 83 13.548 -1.224 5.438 636 HG13 VAL 83 3HG1 VAL 83 12.009 -0.487 4.988 637 HG21 VAL 83 3HG2 VAL 83 13.599 -3.936 2.922 638 HG22 VAL 83 1HG2 VAL 83 14.447 -3.146 4.270 639 HG23 VAL 83 2HG2 VAL 83 13.054 -4.202 4.595 640 H VAL 84 H VAL 84 10.185 -4.872 2.523 641 HA VAL 84 HA VAL 84 8.313 -5.146 4.869 642 HB VAL 84 HB VAL 84 8.828 -7.185 2.628 643 HG11 VAL 84 1HG1 VAL 84 7.452 -7.882 4.764 644 HG12 VAL 84 2HG1 VAL 84 6.247 -6.669 4.295 645 HG13 VAL 84 3HG1 VAL 84 6.575 -8.050 3.221 646 HG21 VAL 84 3HG2 VAL 84 6.870 -6.362 1.390 647 HG22 VAL 84 1HG2 VAL 84 6.702 -4.957 2.481 648 HG23 VAL 84 2HG2 VAL 84 8.131 -5.127 1.444 649 H GLU 85 H GLU 85 8.941 -6.122 6.661 650 HA GLU 85 HA GLU 85 10.445 -8.753 6.417 651 HB2 GLU 85 1HB GLU 85 12.062 -7.085 7.408 652 HB3 GLU 85 2HB GLU 85 10.943 -6.783 8.727 653 HG2 GLU 85 1HG GLU 85 11.096 -9.391 9.238 654 HG3 GLU 85 2HG GLU 85 12.424 -9.421 8.081 655 H LYS 86 H LYS 86 9.072 -10.207 7.029 656 HA LYS 86 HA LYS 86 6.944 -9.690 9.130 657 HB2 LYS 86 1HB LYS 86 6.066 -10.705 6.993 658 HB3 LYS 86 2HB LYS 86 7.093 -12.095 7.243 659 HG2 LYS 86 1HG LYS 86 5.627 -11.734 9.767 660 HG3 LYS 86 2HG LYS 86 4.509 -11.320 8.503 661 HD2 LYS 86 1HD LYS 86 4.103 -13.534 8.795 662 HD3 LYS 86 2HD LYS 86 5.091 -13.580 7.349 663 HE2 LYS 86 1HE LYS 86 6.005 -14.192 10.253 664 HE3 LYS 86 2HE LYS 86 5.493 -15.390 9.078 665 HZ1 LYS 86 3HZ LYS 86 7.459 -14.660 7.633 666 HZ2 LYS 86 1HZ LYS 86 7.973 -13.650 8.833 667 HZ3 LYS 86 2HZ LYS 86 7.947 -15.268 9.084 668 H ASN 87 H ASN 87 7.684 -10.134 11.050 669 HA ASN 87 HA ASN 87 10.396 -11.563 11.250 670 HB2 ASN 87 1HB ASN 87 10.169 -9.185 12.002 671 HB3 ASN 87 2HB ASN 87 9.027 -9.646 13.238 672 HD21 ASN 87 1HD2 ASN 87 12.332 -9.347 12.467 673 HD22 ASN 87 2HD2 ASN 87 12.931 -10.092 14.057 674 H SER 88 H SER 88 7.635 -11.327 13.434 675 HA SER 88 HA SER 88 7.567 -14.383 13.767 676 HB2 SER 88 1HB SER 88 6.217 -12.196 15.503 677 HB3 SER 88 2HB SER 88 6.035 -13.935 15.729 678 HG SER 88 HG SER 88 8.595 -12.728 15.639 679 H GLU 89 H GLU 89 5.308 -15.236 13.755 680 HA GLU 89 HA GLU 89 3.651 -14.133 11.476 681 HB2 GLU 89 1HB GLU 89 4.217 -16.575 11.725 682 HB3 GLU 89 2HB GLU 89 3.239 -16.660 13.184 683 HG2 GLU 89 1HG GLU 89 2.090 -17.565 11.196 684 HG3 GLU 89 2HG GLU 89 1.170 -16.260 11.897 685 H SER 90 H SER 90 3.902 -12.833 14.123 686 HA SER 90 HA SER 90 1.515 -11.436 13.441 687 HB2 SER 90 1HB SER 90 0.416 -11.065 15.667 688 HB3 SER 90 2HB SER 90 0.321 -12.744 15.146 689 HG SER 90 HG SER 90 2.215 -13.111 16.477 690 H LYS 91 H LYS 91 4.264 -10.830 13.133 691 HA LYS 91 HA LYS 91 4.161 -8.096 14.229 692 HB2 LYS 91 1HB LYS 91 5.227 -9.447 16.125 693 HB3 LYS 91 2HB LYS 91 6.550 -9.879 15.060 694 HG2 LYS 91 1HG LYS 91 7.220 -8.109 16.540 695 HG3 LYS 91 2HG LYS 91 7.261 -7.475 14.903 696 HD2 LYS 91 1HD LYS 91 5.288 -6.145 15.183 697 HD3 LYS 91 2HD LYS 91 4.692 -7.059 16.545 698 HE2 LYS 91 1HE LYS 91 7.266 -5.328 16.729 699 HE3 LYS 91 2HE LYS 91 5.637 -4.690 16.993 700 HZ1 LYS 91 3HZ LYS 91 6.478 -5.453 19.181 701 HZ2 LYS 91 1HZ LYS 91 5.218 -6.445 18.724 702 HZ3 LYS 91 2HZ LYS 91 6.778 -6.979 18.604 703 H LEU 92 H LEU 92 4.177 -7.410 12.220 704 HA LEU 92 HA LEU 92 6.549 -7.951 10.360 705 HB2 LEU 92 1HB LEU 92 4.126 -8.608 9.897 706 HB3 LEU 92 2HB LEU 92 3.668 -6.929 9.816 707 HG LEU 92 HG LEU 92 5.680 -8.370 8.004 708 HD11 LEU 92 1HD1 LEU 92 2.681 -7.771 7.499 709 HD12 LEU 92 2HD1 LEU 92 3.799 -8.536 6.345 710 HD13 LEU 92 3HD1 LEU 92 3.371 -9.362 7.847 711 HD21 LEU 92 3HD2 LEU 92 4.482 -5.554 7.722 712 HD22 LEU 92 1HD2 LEU 92 6.164 -6.070 7.569 713 HD23 LEU 92 2HD2 LEU 92 5.025 -6.496 6.315 714 H THR 93 H THR 93 7.665 -6.158 9.442 715 HA THR 93 HA THR 93 6.830 -3.323 10.324 716 HB THR 93 HB THR 93 8.476 -4.395 11.834 717 HG1 THR 93 HG1 THR 93 9.560 -2.073 10.710 718 HG21 THR 93 3HG2 THR 93 10.806 -4.499 11.399 719 HG22 THR 93 1HG2 THR 93 10.071 -5.227 9.943 720 HG23 THR 93 2HG2 THR 93 10.698 -3.569 9.884 721 H GLN 94 H GLN 94 5.974 -3.493 8.223 722 HA GLN 94 HA GLN 94 7.643 -3.287 5.819 723 HB2 GLN 94 1HB GLN 94 5.533 -4.304 5.797 724 HB3 GLN 94 2HB GLN 94 4.666 -2.889 6.330 725 HG2 GLN 94 1HG GLN 94 6.204 -2.550 3.715 726 HG3 GLN 94 2HG GLN 94 5.044 -3.843 3.721 727 HE21 GLN 94 1HE2 GLN 94 5.262 -0.353 4.259 728 HE22 GLN 94 2HE2 GLN 94 3.575 -0.073 3.574 729 H THR 95 H THR 95 9.109 -1.679 6.207 730 HA THR 95 HA THR 95 8.208 0.915 7.372 731 HB THR 95 HB THR 95 11.075 0.016 6.789 732 HG1 THR 95 HG1 THR 95 9.934 -1.417 8.108 733 HG21 THR 95 3HG2 THR 95 11.076 2.407 7.290 734 HG22 THR 95 1HG2 THR 95 9.849 2.222 8.544 735 HG23 THR 95 2HG2 THR 95 11.468 1.565 8.802 736 H GLN 96 H GLN 96 7.544 2.529 6.083 737 HA GLN 96 HA GLN 96 8.085 2.416 3.203 738 HB2 GLN 96 1HB GLN 96 6.425 4.638 4.487 739 HB3 GLN 96 2HB GLN 96 6.580 4.219 2.806 740 HG2 GLN 96 1HG GLN 96 5.795 1.738 3.758 741 HG3 GLN 96 2HG GLN 96 5.156 2.710 5.050 742 HE21 GLN 96 1HE2 GLN 96 5.001 2.064 1.637 743 HE22 GLN 96 2HE2 GLN 96 3.291 2.704 1.388 744 H VAL 97 H VAL 97 9.475 3.506 1.930 745 HA VAL 97 HA VAL 97 11.398 5.469 3.282 746 HB VAL 97 HB VAL 97 11.863 3.389 1.051 747 HG11 VAL 97 1HG1 VAL 97 13.208 5.436 0.516 748 HG12 VAL 97 2HG1 VAL 97 13.699 5.565 2.218 749 HG13 VAL 97 3HG1 VAL 97 14.294 4.212 1.209 750 HG21 VAL 97 3HG2 VAL 97 11.910 2.385 3.344 751 HG22 VAL 97 1HG2 VAL 97 13.545 2.467 2.687 752 HG23 VAL 97 2HG2 VAL 97 13.014 3.649 3.922 753 H ASP 98 H ASP 98 9.788 7.029 2.899 754 HA ASP 98 HA ASP 98 8.939 7.834 0.234 755 HB2 ASP 98 1HB ASP 98 8.771 9.154 3.039 756 HB3 ASP 98 2HB ASP 98 7.777 9.617 1.696 757 HA PRO 99 HA PRO 99 11.991 11.374 -0.263 758 HB2 PRO 99 1HB PRO 99 10.411 13.585 -0.975 759 HB3 PRO 99 2HB PRO 99 10.836 12.247 -2.062 760 HG2 PRO 99 1HG PRO 99 8.263 12.515 -0.381 761 HG3 PRO 99 2HG PRO 99 8.379 12.210 -2.139 762 HD2 PRO 99 1HD PRO 99 8.023 10.129 -0.397 763 HD3 PRO 99 2HD PRO 99 9.140 9.918 -1.778 764 H LYS 100 H LYS 100 9.781 11.304 2.186 765 HA LYS 100 HA LYS 100 11.492 13.239 3.836 766 HB2 LYS 100 1HB LYS 100 8.606 13.339 3.627 767 HB3 LYS 100 2HB LYS 100 8.873 12.494 5.107 768 HG2 LYS 100 1HG LYS 100 10.100 15.244 4.418 769 HG3 LYS 100 2HG LYS 100 8.579 14.984 5.257 770 HD2 LYS 100 1HD LYS 100 9.874 13.624 7.051 771 HD3 LYS 100 2HD LYS 100 11.369 14.134 6.263 772 HE2 LYS 100 1HE LYS 100 10.667 16.595 6.606 773 HE3 LYS 100 2HE LYS 100 9.213 16.036 7.449 774 HZ1 LYS 100 3HZ LYS 100 10.721 14.833 9.067 775 HZ2 LYS 100 1HZ LYS 100 12.049 15.377 8.289 776 HZ3 LYS 100 2HZ LYS 100 11.078 16.443 9.082 777 H ASN 101 H ASN 101 11.049 9.963 3.299 778 HA ASN 101 HA ASN 101 11.150 7.992 4.467 779 HB2 ASN 101 1HB ASN 101 13.411 8.960 5.009 780 HB3 ASN 101 2HB ASN 101 12.806 9.495 6.561 781 HD21 ASN 101 1HD2 ASN 101 13.645 6.650 4.666 782 HD22 ASN 101 2HD2 ASN 101 13.630 5.537 6.136 783 H THR 102 H THR 102 9.492 6.912 5.350 784 HA THR 102 HA THR 102 8.036 8.013 7.771 785 HB THR 102 HB THR 102 7.489 5.481 6.152 786 HG1 THR 102 HG1 THR 102 6.929 7.133 4.789 787 HG21 THR 102 3HG2 THR 102 5.281 5.446 7.194 788 HG22 THR 102 1HG2 THR 102 6.464 5.461 8.520 789 HG23 THR 102 2HG2 THR 102 5.587 6.945 8.077 790 H THR 103 H THR 103 8.358 7.050 9.785 791 HA THR 103 HA THR 103 10.820 5.358 10.115 792 HB THR 103 HB THR 103 9.076 6.890 12.069 793 HG1 THR 103 HG1 THR 103 10.838 7.636 10.340 794 HG21 THR 103 3HG2 THR 103 11.860 5.655 12.599 795 HG22 THR 103 1HG2 THR 103 10.893 6.655 13.708 796 HG23 THR 103 2HG2 THR 103 10.335 5.029 13.263 797 H VAL 104 H VAL 104 10.752 3.443 11.428 798 HA VAL 104 HA VAL 104 9.403 1.366 10.403 799 HB VAL 104 HB VAL 104 9.793 -0.035 12.354 800 HG11 VAL 104 1HG1 VAL 104 12.258 0.084 12.293 801 HG12 VAL 104 2HG1 VAL 104 11.558 0.255 10.682 802 HG13 VAL 104 3HG1 VAL 104 12.202 1.685 11.525 803 HG21 VAL 104 3HG2 VAL 104 10.937 2.457 13.791 804 HG22 VAL 104 1HG2 VAL 104 9.489 1.568 14.295 805 HG23 VAL 104 2HG2 VAL 104 11.064 0.767 14.330 806 H ILE 105 H ILE 105 7.333 1.215 9.887 807 HA ILE 105 HA ILE 105 5.201 1.910 11.776 808 HB ILE 105 HB ILE 105 3.642 1.625 9.977 809 HG12 ILE 105 1HG1 ILE 105 4.549 1.206 7.585 810 HG13 ILE 105 2HG1 ILE 105 5.947 0.446 8.315 811 HG21 ILE 105 1HG2 ILE 105 4.439 3.401 8.540 812 HG22 ILE 105 2HG2 ILE 105 5.206 3.681 10.128 813 HG23 ILE 105 3HG2 ILE 105 6.146 2.993 8.814 814 HD11 ILE 105 3HD1 ILE 105 3.060 -0.562 8.779 815 HD12 ILE 105 1HD1 ILE 105 4.115 -1.097 7.461 816 HD13 ILE 105 2HD1 ILE 105 4.570 -1.427 9.141 817 H VAL 106 H VAL 106 6.444 -0.166 12.814 818 HA VAL 106 HA VAL 106 5.987 -2.788 12.715 819 HB VAL 106 HB VAL 106 5.713 -2.979 15.244 820 HG11 VAL 106 1HG1 VAL 106 8.031 -2.215 15.688 821 HG12 VAL 106 2HG1 VAL 106 7.934 -3.029 14.113 822 HG13 VAL 106 3HG1 VAL 106 8.048 -1.260 14.190 823 HG21 VAL 106 3HG2 VAL 106 6.211 0.060 15.372 824 HG22 VAL 106 1HG2 VAL 106 4.582 -0.601 15.462 825 HG23 VAL 106 2HG2 VAL 106 5.800 -1.066 16.693 826 H ARG 107 H ARG 107 4.572 -4.038 12.238 827 HA ARG 107 HA ARG 107 1.579 -3.492 12.472 828 HB2 ARG 107 1HB ARG 107 2.615 -3.307 10.292 829 HB3 ARG 107 2HB ARG 107 3.399 -4.862 10.412 830 HG2 ARG 107 1HG ARG 107 1.241 -6.053 10.344 831 HG3 ARG 107 2HG ARG 107 0.338 -4.548 10.283 832 HD2 ARG 107 1HD ARG 107 2.353 -5.498 8.166 833 HD3 ARG 107 2HD ARG 107 0.604 -5.718 8.076 834 HE ARG 107 HE ARG 107 0.805 -2.928 8.431 835 HH11 ARG 107 1HH1 ARG 107 2.282 -5.092 6.115 836 HH12 ARG 107 2HH1 ARG 107 2.415 -3.725 4.883 837 HH21 ARG 107 1HH2 ARG 107 0.911 -1.476 6.929 838 HH22 ARG 107 2HH2 ARG 107 1.699 -1.877 5.323 839 H GLU 108 H GLU 108 1.055 -4.384 14.331 840 HA GLU 108 HA GLU 108 1.800 -7.330 14.892 841 HB2 GLU 108 1HB GLU 108 2.914 -5.555 16.282 842 HB3 GLU 108 2HB GLU 108 1.353 -4.946 16.812 843 HG2 GLU 108 1HG GLU 108 0.866 -7.047 18.053 844 HG3 GLU 108 2HG GLU 108 2.276 -7.851 17.375 845 H VAL 109 H VAL 109 -0.047 -8.587 14.652 846 HA VAL 109 HA VAL 109 -2.775 -7.281 14.923 847 HB VAL 109 HB VAL 109 -2.504 -8.476 12.948 848 HG11 VAL 109 1HG1 VAL 109 -0.946 -10.357 13.478 849 HG12 VAL 109 2HG1 VAL 109 -2.180 -11.082 14.527 850 HG13 VAL 109 3HG1 VAL 109 -2.441 -10.979 12.763 851 HG21 VAL 109 3HG2 VAL 109 -4.784 -8.324 13.911 852 HG22 VAL 109 1HG2 VAL 109 -4.588 -9.777 12.918 853 HG23 VAL 109 2HG2 VAL 109 -4.575 -9.910 14.690 854 H ASP 110 H ASP 110 -3.524 -7.114 16.873 855 HA ASP 110 HA ASP 110 -2.707 -8.969 19.040 856 HB2 ASP 110 1HB ASP 110 -4.254 -6.325 18.791 857 HB3 ASP 110 2HB ASP 110 -4.208 -7.117 20.323 858 H GLY 111 H GLY 111 -4.231 -10.367 17.241 859 HA2 GLY 111 1HA GLY 111 -5.913 -12.193 17.483 860 HA3 GLY 111 2HA GLY 111 -6.545 -11.417 18.920 861 H ASP 112 H ASP 112 -6.337 -11.125 15.449 862 HA ASP 112 HA ASP 112 -7.226 -9.511 13.971 863 HB2 ASP 112 1HB ASP 112 -9.697 -11.031 14.914 864 HB3 ASP 112 2HB ASP 112 -9.725 -9.914 13.558 865 H THR 113 H THR 113 -6.413 -8.043 15.628 866 HA THR 113 HA THR 113 -8.083 -5.648 15.263 867 HB THR 113 HB THR 113 -8.615 -6.545 17.597 868 HG1 THR 113 HG1 THR 113 -7.785 -3.858 17.102 869 HG21 THR 113 3HG2 THR 113 -7.427 -5.730 19.493 870 HG22 THR 113 1HG2 THR 113 -6.457 -6.916 18.612 871 HG23 THR 113 2HG2 THR 113 -6.040 -5.195 18.525 872 H MET 114 H MET 114 -6.731 -5.490 13.709 873 HA MET 114 HA MET 114 -3.962 -6.064 13.759 874 HB2 MET 114 1HB MET 114 -5.763 -6.124 11.889 875 HB3 MET 114 2HB MET 114 -5.300 -4.465 11.543 876 HG2 MET 114 1HG MET 114 -3.485 -6.952 11.370 877 HG3 MET 114 2HG MET 114 -4.259 -6.099 10.042 878 HE1 MET 114 3HE MET 114 -1.835 -5.969 12.956 879 HE2 MET 114 1HE MET 114 -0.753 -6.387 11.620 880 HE3 MET 114 2HE MET 114 -0.611 -4.802 12.450 881 H LYS 115 H LYS 115 -2.652 -4.885 15.080 882 HA LYS 115 HA LYS 115 -2.935 -1.873 15.209 883 HB2 LYS 115 1HB LYS 115 -2.911 -3.485 17.186 884 HB3 LYS 115 2HB LYS 115 -1.216 -3.788 16.881 885 HG2 LYS 115 1HG LYS 115 -0.819 -1.205 17.181 886 HG3 LYS 115 2HG LYS 115 -2.517 -1.105 17.647 887 HD2 LYS 115 1HD LYS 115 -1.389 -1.319 19.707 888 HD3 LYS 115 2HD LYS 115 -2.111 -2.885 19.431 889 HE2 LYS 115 1HE LYS 115 0.636 -2.866 18.254 890 HE3 LYS 115 2HE LYS 115 0.730 -2.169 19.860 891 HZ1 LYS 115 3HZ LYS 115 -0.253 -4.288 20.774 892 HZ2 LYS 115 1HZ LYS 115 -0.662 -4.844 19.311 893 HZ3 LYS 115 2HZ LYS 115 0.972 -4.741 19.718 894 H THR 116 H THR 116 -1.951 -1.026 13.484 895 HA THR 116 HA THR 116 1.023 -1.563 12.994 896 HB THR 116 HB THR 116 0.183 -2.528 11.147 897 HG1 THR 116 HG1 THR 116 1.991 -0.952 11.005 898 HG21 THR 116 3HG2 THR 116 -2.058 -1.620 10.797 899 HG22 THR 116 1HG2 THR 116 -1.399 -0.039 10.334 900 HG23 THR 116 2HG2 THR 116 -1.083 -1.464 9.326 901 H THR 117 H THR 117 1.742 -0.181 14.265 902 HA THR 117 HA THR 117 0.569 2.537 14.621 903 HB THR 117 HB THR 117 3.018 1.210 15.907 904 HG1 THR 117 HG1 THR 117 0.909 0.226 16.141 905 HG21 THR 117 3HG2 THR 117 3.011 3.703 16.324 906 HG22 THR 117 1HG2 THR 117 1.326 3.617 16.883 907 HG23 THR 117 2HG2 THR 117 2.606 2.793 17.796 908 H VAL 118 H VAL 118 0.950 4.035 13.095 909 HA VAL 118 HA VAL 118 3.584 3.982 11.637 910 HB VAL 118 HB VAL 118 1.800 3.948 10.286 911 HG11 VAL 118 1HG1 VAL 118 -0.021 5.245 11.513 912 HG12 VAL 118 2HG1 VAL 118 0.750 6.742 10.970 913 HG13 VAL 118 3HG1 VAL 118 0.145 5.598 9.785 914 HG21 VAL 118 3HG2 VAL 118 2.918 6.798 9.859 915 HG22 VAL 118 1HG2 VAL 118 3.924 5.386 9.646 916 HG23 VAL 118 2HG2 VAL 118 2.480 5.597 8.626 917 H THR 119 H THR 119 5.191 4.803 12.797 918 HA THR 119 HA THR 119 4.909 7.640 13.893 919 HB THR 119 HB THR 119 5.679 6.089 15.566 920 HG1 THR 119 HG1 THR 119 7.761 7.049 15.952 921 HG21 THR 119 3HG2 THR 119 6.761 4.264 14.247 922 HG22 THR 119 1HG2 THR 119 8.055 5.354 13.744 923 HG23 THR 119 2HG2 THR 119 7.871 4.903 15.465 924 H VAL 120 H VAL 120 6.431 9.184 13.405 925 HA VAL 120 HA VAL 120 8.339 8.711 11.056 926 HB VAL 120 HB VAL 120 6.449 11.131 11.016 927 HG11 VAL 120 1HG1 VAL 120 8.594 11.367 9.729 928 HG12 VAL 120 2HG1 VAL 120 8.302 9.838 8.903 929 HG13 VAL 120 3HG1 VAL 120 7.237 11.207 8.588 930 HG21 VAL 120 3HG2 VAL 120 6.071 8.410 9.671 931 HG22 VAL 120 1HG2 VAL 120 5.003 9.235 10.816 932 HG23 VAL 120 2HG2 VAL 120 5.169 9.907 9.174 933 H GLY 121 H GLY 121 9.925 8.819 12.652 934 HA2 GLY 121 1HA GLY 121 11.372 9.791 14.318 935 HA3 GLY 121 2HA GLY 121 10.848 11.379 13.796 936 H ASP 122 H ASP 122 8.357 11.454 14.396 937 HA ASP 122 HA ASP 122 8.113 11.378 17.423 938 HB2 ASP 122 1HB ASP 122 8.242 13.869 17.554 939 HB3 ASP 122 2HB ASP 122 9.714 13.168 16.922 940 H VAL 123 H VAL 123 6.238 10.137 15.963 941 HA VAL 123 HA VAL 123 3.781 11.825 16.609 942 HB VAL 123 HB VAL 123 4.042 10.361 13.894 943 HG11 VAL 123 1HG1 VAL 123 1.720 11.969 15.231 944 HG12 VAL 123 2HG1 VAL 123 1.782 11.672 13.504 945 HG13 VAL 123 3HG1 VAL 123 1.655 10.303 14.624 946 HG21 VAL 123 3HG2 VAL 123 3.955 13.396 14.515 947 HG22 VAL 123 1HG2 VAL 123 5.310 12.483 13.815 948 HG23 VAL 123 2HG2 VAL 123 3.797 12.662 12.896 949 H THR 124 H THR 124 4.673 8.544 15.589 950 HA THR 124 HA THR 124 3.666 6.469 15.986 951 HB THR 124 HB THR 124 3.586 7.741 18.754 952 HG1 THR 124 HG1 THR 124 5.616 6.696 18.887 953 HG21 THR 124 3HG2 THR 124 3.897 5.537 19.751 954 HG22 THR 124 1HG2 THR 124 2.434 5.417 18.770 955 HG23 THR 124 2HG2 THR 124 3.971 4.741 18.172 956 H ALA 125 H ALA 125 1.901 6.724 14.575 957 HA ALA 125 HA ALA 125 -0.764 7.518 15.818 958 HB1 ALA 125 3HB ALA 125 0.353 7.352 12.955 959 HB2 ALA 125 1HB ALA 125 -1.365 7.592 13.213 960 HB3 ALA 125 2HB ALA 125 -0.184 8.774 13.840 961 H ILE 126 H ILE 126 -1.419 5.786 16.844 962 HA ILE 126 HA ILE 126 -0.945 3.114 16.014 963 HB ILE 126 HB ILE 126 -0.958 3.972 18.241 964 HG12 ILE 126 1HG1 ILE 126 -2.686 1.517 18.562 965 HG13 ILE 126 2HG1 ILE 126 -1.524 1.353 17.273 966 HG21 ILE 126 1HG2 ILE 126 -2.930 3.838 19.733 967 HG22 ILE 126 2HG2 ILE 126 -3.032 5.169 18.581 968 HG23 ILE 126 3HG2 ILE 126 -4.023 3.705 18.341 969 HD11 ILE 126 3HD1 ILE 126 0.320 2.226 18.893 970 HD12 ILE 126 1HD1 ILE 126 -0.865 1.994 20.202 971 HD13 ILE 126 2HD1 ILE 126 -0.340 0.621 19.166 972 H ARG 127 H ARG 127 -1.712 2.487 14.194 973 HA ARG 127 HA ARG 127 -4.563 2.936 13.406 974 HB2 ARG 127 1HB ARG 127 -2.518 1.392 11.771 975 HB3 ARG 127 2HB ARG 127 -4.100 1.951 11.258 976 HG2 ARG 127 1HG ARG 127 -3.420 4.333 11.494 977 HG3 ARG 127 2HG ARG 127 -1.831 3.867 12.072 978 HD2 ARG 127 1HD ARG 127 -2.971 3.145 9.283 979 HD3 ARG 127 2HD ARG 127 -1.902 4.502 9.659 980 HE ARG 127 HE ARG 127 -0.622 2.088 10.690 981 HH11 ARG 127 1HH1 ARG 127 -1.178 3.767 7.691 982 HH12 ARG 127 2HH1 ARG 127 0.299 3.022 6.908 983 HH21 ARG 127 1HH2 ARG 127 0.922 1.117 9.720 984 HH22 ARG 127 2HH2 ARG 127 1.465 1.638 8.057 985 H ASN 128 H ASN 128 -6.068 1.593 14.103 986 HA ASN 128 HA ASN 128 -5.461 -1.375 14.588 987 HB2 ASN 128 1HB ASN 128 -6.152 0.419 16.446 988 HB3 ASN 128 2HB ASN 128 -7.745 0.334 15.719 989 HD21 ASN 128 1HD2 ASN 128 -7.503 -0.124 18.290 990 HD22 ASN 128 2HD2 ASN 128 -7.684 -1.926 18.630 991 H TYR 129 H TYR 129 -6.595 -2.810 13.283 992 HA TYR 129 HA TYR 129 -9.064 -1.851 11.736 993 HB2 TYR 129 1HB TYR 129 -6.940 -3.730 10.523 994 HB3 TYR 129 2HB TYR 129 -8.348 -3.092 9.760 995 HD1 TYR 129 HD1 TYR 129 -5.149 -1.763 11.370 996 HD2 TYR 129 HD2 TYR 129 -7.928 -1.458 8.100 997 HE1 TYR 129 HE1 TYR 129 -3.714 -0.141 10.293 998 HE2 TYR 129 HE2 TYR 129 -6.483 0.173 7.035 999 HH TYR 129 HH TYR 129 -3.308 0.982 8.426 1000 H LYS 130 H LYS 130 -10.462 -3.499 10.960 1001 HA LYS 130 HA LYS 130 -10.507 -6.027 12.746 1002 HB2 LYS 130 1HB LYS 130 -12.828 -4.612 11.221 1003 HB3 LYS 130 2HB LYS 130 -13.000 -6.146 12.041 1004 HG2 LYS 130 1HG LYS 130 -12.512 -3.424 13.387 1005 HG3 LYS 130 2HG LYS 130 -13.991 -4.337 13.285 1006 HD2 LYS 130 1HD LYS 130 -13.450 -5.062 15.367 1007 HD3 LYS 130 2HD LYS 130 -12.572 -6.303 14.490 1008 HE2 LYS 130 1HE LYS 130 -10.484 -4.596 14.637 1009 HE3 LYS 130 2HE LYS 130 -11.475 -3.700 15.782 1010 HZ1 LYS 130 3HZ LYS 130 -11.669 -5.936 17.070 1011 HZ2 LYS 130 1HZ LYS 130 -10.553 -6.575 16.020 1012 HZ3 LYS 130 2HZ LYS 130 -10.126 -5.328 16.998 1013 H ARG 131 H ARG 131 -10.717 -8.024 11.789 1014 HA ARG 131 HA ARG 131 -9.898 -8.271 8.939 1015 HB2 ARG 131 1HB ARG 131 -9.145 -9.794 10.924 1016 HB3 ARG 131 2HB ARG 131 -10.724 -10.554 10.845 1017 HG2 ARG 131 1HG ARG 131 -10.075 -10.954 8.227 1018 HG3 ARG 131 2HG ARG 131 -8.474 -10.466 8.742 1019 HD2 ARG 131 1HD ARG 131 -9.146 -12.429 10.695 1020 HD3 ARG 131 2HD ARG 131 -10.088 -12.968 9.355 1021 HE ARG 131 HE ARG 131 -7.955 -13.107 7.925 1022 HH11 ARG 131 1HH1 ARG 131 -7.320 -12.746 11.394 1023 HH12 ARG 131 2HH1 ARG 131 -5.901 -13.888 11.216 1024 HH21 ARG 131 1HH2 ARG 131 -6.331 -14.179 7.837 1025 HH22 ARG 131 2HH2 ARG 131 -5.361 -14.710 9.291 1026 H LEU 132 H LEU 132 -11.154 -8.501 7.296 1027 HA LEU 132 HA LEU 132 -14.119 -9.223 7.603 1028 HB2 LEU 132 1HB LEU 132 -12.735 -7.340 5.604 1029 HB3 LEU 132 2HB LEU 132 -14.470 -7.679 5.654 1030 HG LEU 132 HG LEU 132 -12.724 -6.264 7.739 1031 HD11 LEU 132 1HD1 LEU 132 -13.216 -4.944 5.679 1032 HD12 LEU 132 2HD1 LEU 132 -14.968 -5.229 5.867 1033 HD13 LEU 132 3HD1 LEU 132 -14.089 -4.245 7.061 1034 HD21 LEU 132 3HD2 LEU 132 -14.525 -7.379 9.027 1035 HD22 LEU 132 1HD2 LEU 132 -14.884 -5.655 8.942 1036 HD23 LEU 132 2HD2 LEU 132 -15.780 -6.792 7.906 1037 H SER 133 H SER 133 -15.103 -10.491 6.200 1038 HA SER 133 HA SER 133 -13.434 -12.231 4.325 1039 HB2 SER 133 1HB SER 133 -15.265 -13.858 4.494 1040 HB3 SER 133 2HB SER 133 -14.707 -13.385 6.101 1041 HG SER 133 HG SER 133 -16.995 -13.411 5.936 1042 HXT SER 133 HXT SER 133 -16.159 -11.058 3.396 Start of MODEL 6 1 H1 MET 1 1H MET 1 4.767 -13.282 6.445 2 H2 MET 1 2H MET 1 4.419 -14.579 5.500 3 HA MET 1 HA MET 1 3.317 -14.774 7.605 4 HB2 MET 1 1HB MET 1 2.208 -12.006 6.821 5 HB3 MET 1 2HB MET 1 1.330 -13.044 7.938 6 HG2 MET 1 1HG MET 1 3.269 -13.193 9.481 7 HG3 MET 1 2HG MET 1 4.236 -12.147 8.423 8 HE1 MET 1 3HE MET 1 2.758 -10.277 11.804 9 HE2 MET 1 1HE MET 1 2.666 -12.047 11.605 10 HE3 MET 1 2HE MET 1 4.169 -11.198 11.198 11 H SER 2 H SER 2 1.746 -16.158 7.595 12 HA SER 2 HA SER 2 -0.221 -16.322 5.247 13 HB2 SER 2 1HB SER 2 0.719 -18.556 7.158 14 HB3 SER 2 2HB SER 2 -0.601 -18.726 5.987 15 HG SER 2 HG SER 2 1.454 -19.417 5.187 16 H SER 3 H SER 3 -0.071 -16.273 8.808 17 HA SER 3 HA SER 3 -2.842 -16.734 9.438 18 HB2 SER 3 1HB SER 3 -0.960 -14.761 10.897 19 HB3 SER 3 2HB SER 3 -2.345 -15.628 11.579 20 HG SER 3 HG SER 3 0.173 -16.659 10.670 21 H PHE 4 H PHE 4 -1.525 -13.824 8.093 22 HA PHE 4 HA PHE 4 -4.087 -12.233 8.622 23 HB2 PHE 4 1HB PHE 4 -1.311 -11.272 7.666 24 HB3 PHE 4 2HB PHE 4 -2.703 -10.247 7.890 25 HD1 PHE 4 HD1 PHE 4 -0.156 -12.247 9.731 26 HD2 PHE 4 HD2 PHE 4 -3.508 -9.568 10.135 27 HE1 PHE 4 HE1 PHE 4 0.431 -11.855 12.067 28 HE2 PHE 4 HE2 PHE 4 -2.874 -9.150 12.472 29 HZ PHE 4 HZ PHE 4 -0.868 -10.275 13.446 30 H LEU 5 H LEU 5 -3.444 -14.327 6.244 31 HA LEU 5 HA LEU 5 -3.742 -12.778 3.791 32 HB2 LEU 5 1HB LEU 5 -4.394 -15.697 4.397 33 HB3 LEU 5 2HB LEU 5 -4.539 -14.975 2.802 34 HG LEU 5 HG LEU 5 -1.906 -14.933 4.408 35 HD11 LEU 5 1HD1 LEU 5 -2.594 -17.297 3.941 36 HD12 LEU 5 2HD1 LEU 5 -2.808 -16.926 2.212 37 HD13 LEU 5 3HD1 LEU 5 -1.193 -16.853 2.955 38 HD21 LEU 5 3HD2 LEU 5 -2.427 -14.424 1.408 39 HD22 LEU 5 1HD2 LEU 5 -1.949 -13.197 2.595 40 HD23 LEU 5 2HD2 LEU 5 -0.837 -14.497 2.195 41 H GLY 6 H GLY 6 -5.414 -11.729 3.073 42 HA2 GLY 6 1HA GLY 6 -8.144 -11.604 3.052 43 HA3 GLY 6 2HA GLY 6 -7.898 -11.671 4.809 44 H LYS 7 H LYS 7 -9.113 -9.632 4.371 45 HA LYS 7 HA LYS 7 -7.286 -7.288 3.772 46 HB2 LYS 7 1HB LYS 7 -9.008 -5.844 3.209 47 HB3 LYS 7 2HB LYS 7 -9.002 -7.218 2.163 48 HG2 LYS 7 1HG LYS 7 -11.070 -6.828 4.410 49 HG3 LYS 7 2HG LYS 7 -11.221 -6.216 2.773 50 HD2 LYS 7 1HD LYS 7 -10.935 -8.610 1.874 51 HD3 LYS 7 2HD LYS 7 -11.017 -9.202 3.536 52 HE2 LYS 7 1HE LYS 7 -13.317 -8.194 3.821 53 HE3 LYS 7 2HE LYS 7 -13.245 -7.510 2.191 54 HZ1 LYS 7 3HZ LYS 7 -13.039 -9.810 1.275 55 HZ2 LYS 7 1HZ LYS 7 -13.013 -10.489 2.765 56 HZ3 LYS 7 2HZ LYS 7 -14.390 -9.763 2.212 57 H TRP 8 H TRP 8 -6.840 -5.870 5.221 58 HA TRP 8 HA TRP 8 -8.443 -5.860 7.793 59 HB2 TRP 8 1HB TRP 8 -6.593 -5.365 9.203 60 HB3 TRP 8 2HB TRP 8 -6.420 -6.915 8.421 61 HD1 TRP 8 HD1 TRP 8 -4.624 -3.460 8.690 62 HE1 TRP 8 HE1 TRP 8 -2.155 -3.600 7.900 63 HE3 TRP 8 HE3 TRP 8 -4.930 -8.177 6.690 64 HZ2 TRP 8 HZ2 TRP 8 -0.644 -5.579 6.563 65 HZ3 TRP 8 HZ3 TRP 8 -2.857 -9.168 5.783 66 HH2 TRP 8 HH2 TRP 8 -0.769 -7.913 5.679 67 H LYS 9 H LYS 9 -9.575 -4.020 7.877 68 HA LYS 9 HA LYS 9 -8.532 -1.622 6.324 69 HB2 LYS 9 1HB LYS 9 -10.613 -1.201 5.377 70 HB3 LYS 9 2HB LYS 9 -10.090 -2.817 4.987 71 HG2 LYS 9 1HG LYS 9 -11.729 -3.785 6.658 72 HG3 LYS 9 2HG LYS 9 -12.302 -2.172 7.055 73 HD2 LYS 9 1HD LYS 9 -12.366 -3.471 4.236 74 HD3 LYS 9 2HD LYS 9 -13.702 -3.462 5.353 75 HE2 LYS 9 1HE LYS 9 -14.409 -1.409 4.793 76 HE3 LYS 9 2HE LYS 9 -12.863 -0.669 5.120 77 HZ1 LYS 9 3HZ LYS 9 -12.108 -1.177 2.807 78 HZ2 LYS 9 1HZ LYS 9 -13.463 -2.032 2.463 79 HZ3 LYS 9 2HZ LYS 9 -13.542 -0.419 2.700 80 H LEU 10 H LEU 10 -8.884 0.286 7.150 81 HA LEU 10 HA LEU 10 -8.238 0.471 9.772 82 HB2 LEU 10 1HB LEU 10 -7.881 2.138 7.868 83 HB3 LEU 10 2HB LEU 10 -9.469 2.810 8.221 84 HG LEU 10 HG LEU 10 -8.582 3.241 10.649 85 HD11 LEU 10 1HD1 LEU 10 -6.108 3.449 10.893 86 HD12 LEU 10 2HD1 LEU 10 -6.518 1.765 10.564 87 HD13 LEU 10 3HD1 LEU 10 -5.842 2.775 9.268 88 HD21 LEU 10 3HD2 LEU 10 -7.476 5.356 9.960 89 HD22 LEU 10 1HD2 LEU 10 -7.250 4.759 8.300 90 HD23 LEU 10 2HD2 LEU 10 -8.886 5.055 8.935 91 H SER 11 H SER 11 -9.068 0.607 11.708 92 HA SER 11 HA SER 11 -12.049 0.673 12.152 93 HB2 SER 11 1HB SER 11 -10.701 -1.243 13.080 94 HB3 SER 11 2HB SER 11 -9.824 -0.115 14.119 95 HG SER 11 HG SER 11 -12.014 0.545 14.868 96 H GLU 12 H GLU 12 -9.047 2.359 13.192 97 HA GLU 12 HA GLU 12 -10.666 4.820 13.692 98 HB2 GLU 12 1HB GLU 12 -9.977 5.241 15.991 99 HB3 GLU 12 2HB GLU 12 -10.833 3.731 15.858 100 HG2 GLU 12 1HG GLU 12 -9.156 2.930 17.189 101 HG3 GLU 12 2HG GLU 12 -8.362 2.676 15.655 102 H SER 13 H SER 13 -9.358 6.699 14.206 103 HA SER 13 HA SER 13 -6.502 6.574 13.109 104 HB2 SER 13 1HB SER 13 -8.041 7.716 11.479 105 HB3 SER 13 2HB SER 13 -8.475 8.929 12.697 106 HG SER 13 HG SER 13 -6.472 9.893 12.454 107 H HIS 14 H HIS 14 -5.844 6.294 15.320 108 HA HIS 14 HA HIS 14 -6.329 8.225 17.330 109 HB2 HIS 14 1HB HIS 14 -4.973 5.809 17.257 110 HB3 HIS 14 2HB HIS 14 -3.614 6.882 17.479 111 HD1 HIS 14 HD1 HIS 14 -6.729 5.487 19.013 112 HD2 HIS 14 HD2 HIS 14 -3.833 8.519 19.979 113 HE1 HIS 14 HE1 HIS 14 -6.923 6.157 21.559 114 HE2 HIS 14 HE2 HIS 14 -5.227 8.011 22.200 115 H ASN 15 H ASN 15 -3.439 8.197 15.327 116 HA ASN 15 HA ASN 15 -3.998 10.994 14.836 117 HB2 ASN 15 1HB ASN 15 -2.305 11.173 16.778 118 HB3 ASN 15 2HB ASN 15 -1.091 10.464 15.742 119 HD21 ASN 15 1HD2 ASN 15 -3.477 13.093 14.791 120 HD22 ASN 15 2HD2 ASN 15 -2.125 14.305 14.848 121 H PHE 16 H PHE 16 -4.337 8.719 13.262 122 HA PHE 16 HA PHE 16 -2.237 8.797 11.127 123 HB2 PHE 16 1HB PHE 16 -3.420 6.691 11.788 124 HB3 PHE 16 2HB PHE 16 -4.934 7.329 11.190 125 HD1 PHE 16 HD1 PHE 16 -1.385 6.727 10.093 126 HD2 PHE 16 HD2 PHE 16 -5.510 6.848 8.895 127 HE1 PHE 16 HE1 PHE 16 -0.775 5.831 7.832 128 HE2 PHE 16 HE2 PHE 16 -4.912 5.955 6.687 129 HZ PHE 16 HZ PHE 16 -2.572 5.412 6.145 130 H ASP 17 H ASP 17 -2.756 11.101 11.411 131 HA ASP 17 HA ASP 17 -4.448 12.324 9.295 132 HB2 ASP 17 1HB ASP 17 -5.509 13.816 11.131 133 HB3 ASP 17 2HB ASP 17 -6.165 12.285 10.640 134 H ALA 18 H ALA 18 -2.323 13.234 12.034 135 HA ALA 18 HA ALA 18 -1.054 15.339 10.215 136 HB1 ALA 18 3HB ALA 18 -1.533 15.830 12.778 137 HB2 ALA 18 1HB ALA 18 -0.226 14.640 13.113 138 HB3 ALA 18 2HB ALA 18 0.123 16.135 12.223 139 H VAL 19 H VAL 19 -0.409 12.115 11.299 140 HA VAL 19 HA VAL 19 2.459 12.081 11.143 141 HB VAL 19 HB VAL 19 0.923 10.367 12.141 142 HG11 VAL 19 1HG1 VAL 19 0.039 8.507 10.975 143 HG12 VAL 19 2HG1 VAL 19 -0.605 9.989 10.221 144 HG13 VAL 19 3HG1 VAL 19 0.667 9.043 9.401 145 HG21 VAL 19 3HG2 VAL 19 3.425 10.075 11.812 146 HG22 VAL 19 1HG2 VAL 19 2.527 8.577 11.936 147 HG23 VAL 19 2HG2 VAL 19 3.078 9.143 10.337 148 H MET 20 H MET 20 0.205 11.792 8.601 149 HA MET 20 HA MET 20 2.322 11.338 6.488 150 HB2 MET 20 1HB MET 20 -0.698 11.050 6.469 151 HB3 MET 20 2HB MET 20 0.007 11.656 4.989 152 HG2 MET 20 1HG MET 20 -0.160 9.239 4.823 153 HG3 MET 20 2HG MET 20 1.553 9.683 4.841 154 HE1 MET 20 3HE MET 20 0.834 6.727 5.312 155 HE2 MET 20 1HE MET 20 2.494 7.366 5.516 156 HE3 MET 20 2HE MET 20 1.776 6.332 6.781 157 H SER 21 H SER 21 0.111 13.964 7.611 158 HA SER 21 HA SER 21 1.027 15.812 5.529 159 HB2 SER 21 1HB SER 21 -1.111 16.073 6.981 160 HB3 SER 21 2HB SER 21 -0.087 16.528 8.343 161 HG SER 21 HG SER 21 0.776 18.215 6.879 162 H LYS 22 H LYS 22 2.375 15.159 8.776 163 HA LYS 22 HA LYS 22 4.572 17.114 8.642 164 HB2 LYS 22 1HB LYS 22 4.041 16.161 10.733 165 HB3 LYS 22 2HB LYS 22 4.116 14.519 10.127 166 HG2 LYS 22 1HG LYS 22 6.536 14.575 9.866 167 HG3 LYS 22 2HG LYS 22 6.638 16.289 10.216 168 HD2 LYS 22 1HD LYS 22 5.720 14.092 12.181 169 HD3 LYS 22 2HD LYS 22 7.374 14.635 12.032 170 HE2 LYS 22 1HE LYS 22 6.679 16.996 12.710 171 HE3 LYS 22 2HE LYS 22 5.022 16.432 12.954 172 HZ1 LYS 22 3HZ LYS 22 5.936 14.819 14.722 173 HZ2 LYS 22 1HZ LYS 22 7.458 15.300 14.462 174 HZ3 LYS 22 2HZ LYS 22 6.416 16.335 15.097 175 H LEU 23 H LEU 23 4.310 13.922 7.414 176 HA LEU 23 HA LEU 23 6.997 13.599 6.172 177 HB2 LEU 23 1HB LEU 23 5.288 11.743 6.789 178 HB3 LEU 23 2HB LEU 23 4.318 12.295 5.451 179 HG LEU 23 HG LEU 23 6.656 12.007 4.090 180 HD11 LEU 23 1HD1 LEU 23 6.915 9.690 6.104 181 HD12 LEU 23 2HD1 LEU 23 8.091 10.283 4.902 182 HD13 LEU 23 3HD1 LEU 23 7.766 11.207 6.366 183 HD21 LEU 23 3HD2 LEU 23 5.778 9.811 3.329 184 HD22 LEU 23 1HD2 LEU 23 4.793 9.630 4.787 185 HD23 LEU 23 2HD2 LEU 23 4.425 10.897 3.592 186 H GLY 24 H GLY 24 3.863 14.754 4.962 187 HA2 GLY 24 1HA GLY 24 4.041 16.901 3.557 188 HA3 GLY 24 2HA GLY 24 5.313 16.149 2.619 189 H VAL 25 H VAL 25 1.999 15.400 3.563 190 HA VAL 25 HA VAL 25 1.395 14.366 0.786 191 HB VAL 25 HB VAL 25 0.235 13.719 3.558 192 HG11 VAL 25 1HG1 VAL 25 -0.317 12.261 0.874 193 HG12 VAL 25 2HG1 VAL 25 -0.924 11.785 2.486 194 HG13 VAL 25 3HG1 VAL 25 -1.501 13.275 1.721 195 HG21 VAL 25 3HG2 VAL 25 1.407 11.455 3.151 196 HG22 VAL 25 1HG2 VAL 25 2.152 12.141 1.684 197 HG23 VAL 25 2HG2 VAL 25 2.519 12.829 3.288 198 H SER 26 H SER 26 -0.240 15.049 -0.392 199 HA SER 26 HA SER 26 -1.275 17.670 -0.091 200 HB2 SER 26 1HB SER 26 -2.356 15.420 -1.908 201 HB3 SER 26 2HB SER 26 -2.750 17.136 -2.073 202 HG SER 26 HG SER 26 -0.211 15.832 -2.404 203 H TRP 27 H TRP 27 -3.122 18.598 0.673 204 HA TRP 27 HA TRP 27 -5.149 16.951 2.140 205 HB2 TRP 27 1HB TRP 27 -4.661 19.959 1.935 206 HB3 TRP 27 2HB TRP 27 -6.130 19.323 2.659 207 HD1 TRP 27 HD1 TRP 27 -2.214 19.205 3.353 208 HE1 TRP 27 HE1 TRP 27 -1.710 18.257 5.759 209 HE3 TRP 27 HE3 TRP 27 -7.044 17.932 4.542 210 HZ2 TRP 27 HZ2 TRP 27 -3.311 17.049 7.763 211 HZ3 TRP 27 HZ3 TRP 27 -7.458 16.733 6.654 212 HH2 TRP 27 HH2 TRP 27 -5.633 16.316 8.264 213 H ALA 28 H ALA 28 -5.267 16.111 -0.182 214 HA ALA 28 HA ALA 28 -8.264 16.250 -0.428 215 HB1 ALA 28 3HB ALA 28 -7.444 17.159 -2.615 216 HB2 ALA 28 1HB ALA 28 -6.475 15.693 -2.895 217 HB3 ALA 28 2HB ALA 28 -8.251 15.599 -2.838 218 H THR 29 H THR 29 -5.358 14.194 -1.060 219 HA THR 29 HA THR 29 -6.617 11.633 -0.302 220 HB THR 29 HB THR 29 -4.263 10.853 0.204 221 HG1 THR 29 HG1 THR 29 -2.624 12.433 -0.556 222 HG21 THR 29 3HG2 THR 29 -4.314 12.305 -2.499 223 HG22 THR 29 1HG2 THR 29 -3.244 10.974 -1.993 224 HG23 THR 29 2HG2 THR 29 -4.980 10.684 -2.170 225 H ARG 30 H ARG 30 -5.456 14.228 1.640 226 HA ARG 30 HA ARG 30 -5.375 12.560 4.136 227 HB2 ARG 30 1HB ARG 30 -4.765 15.511 3.602 228 HB3 ARG 30 2HB ARG 30 -4.963 14.968 5.223 229 HG2 ARG 30 1HG ARG 30 -2.942 13.571 3.371 230 HG3 ARG 30 2HG ARG 30 -2.595 15.116 4.103 231 HD2 ARG 30 1HD ARG 30 -1.600 13.551 5.514 232 HD3 ARG 30 2HD ARG 30 -2.941 14.165 6.428 233 HE ARG 30 HE ARG 30 -2.546 11.349 5.401 234 HH11 ARG 30 1HH1 ARG 30 -4.978 13.490 6.601 235 HH12 ARG 30 2HH1 ARG 30 -5.878 12.150 7.466 236 HH21 ARG 30 1HH2 ARG 30 -3.455 9.857 6.539 237 HH22 ARG 30 2HH2 ARG 30 -4.901 10.246 7.568 238 H GLN 31 H GLN 31 -7.816 13.534 2.418 239 HA GLN 31 HA GLN 31 -9.706 13.729 4.809 240 HB2 GLN 31 1HB GLN 31 -10.242 13.891 1.761 241 HB3 GLN 31 2HB GLN 31 -11.503 13.589 2.933 242 HG2 GLN 31 1HG GLN 31 -11.821 15.803 2.791 243 HG3 GLN 31 2HG GLN 31 -10.695 15.859 4.118 244 HE21 GLN 31 1HE2 GLN 31 -8.354 16.246 3.357 245 HE22 GLN 31 2HE2 GLN 31 -8.219 17.426 1.941 246 H ILE 32 H ILE 32 -8.790 11.622 2.062 247 HA ILE 32 HA ILE 32 -10.792 9.525 2.854 248 HB ILE 32 HB ILE 32 -9.062 10.058 0.424 249 HG12 ILE 32 1HG1 ILE 32 -11.258 9.278 -0.698 250 HG13 ILE 32 2HG1 ILE 32 -11.981 9.110 0.879 251 HG21 ILE 32 1HG2 ILE 32 -8.408 7.680 0.812 252 HG22 ILE 32 2HG2 ILE 32 -10.108 7.210 0.998 253 HG23 ILE 32 3HG2 ILE 32 -9.514 7.819 -0.557 254 HD11 ILE 32 3HD1 ILE 32 -10.854 11.734 -0.316 255 HD12 ILE 32 1HD1 ILE 32 -12.569 11.268 -0.290 256 HD13 ILE 32 2HD1 ILE 32 -11.726 11.620 1.231 257 H GLY 33 H GLY 33 -7.353 9.996 3.112 258 HA2 GLY 33 1HA GLY 33 -6.382 7.447 4.119 259 HA3 GLY 33 2HA GLY 33 -5.828 8.988 4.740 260 H ASN 34 H ASN 34 -7.931 9.977 6.195 261 HA ASN 34 HA ASN 34 -8.822 7.757 8.068 262 HB2 ASN 34 1HB ASN 34 -8.834 9.398 9.847 263 HB3 ASN 34 2HB ASN 34 -7.278 9.332 9.062 264 HD21 ASN 34 1HD2 ASN 34 -10.189 11.329 9.269 265 HD22 ASN 34 2HD2 ASN 34 -9.256 12.876 8.913 266 H THR 35 H THR 35 -10.273 7.996 5.749 267 HA THR 35 HA THR 35 -13.013 8.473 6.922 268 HB THR 35 HB THR 35 -12.182 9.859 4.325 269 HG1 THR 35 HG1 THR 35 -11.467 11.146 5.784 270 HG21 THR 35 3HG2 THR 35 -14.870 10.020 5.806 271 HG22 THR 35 1HG2 THR 35 -14.387 10.944 4.364 272 HG23 THR 35 2HG2 THR 35 -14.605 9.188 4.252 273 H VAL 36 H VAL 36 -11.716 7.782 3.610 274 HA VAL 36 HA VAL 36 -13.521 5.348 3.657 275 HB VAL 36 HB VAL 36 -12.357 6.617 1.129 276 HG11 VAL 36 1HG1 VAL 36 -14.205 5.219 0.061 277 HG12 VAL 36 2HG1 VAL 36 -13.129 4.173 1.007 278 HG13 VAL 36 3HG1 VAL 36 -14.717 4.645 1.651 279 HG21 VAL 36 3HG2 VAL 36 -14.853 7.448 0.826 280 HG22 VAL 36 1HG2 VAL 36 -14.950 7.278 2.616 281 HG23 VAL 36 2HG2 VAL 36 -13.790 8.372 1.906 282 H THR 37 H THR 37 -12.355 3.907 4.491 283 HA THR 37 HA THR 37 -9.938 4.023 5.312 284 HB THR 37 HB THR 37 -9.904 1.668 5.923 285 HG1 THR 37 HG1 THR 37 -10.670 1.137 3.623 286 HG21 THR 37 3HG2 THR 37 -11.870 1.555 7.185 287 HG22 THR 37 1HG2 THR 37 -11.964 3.279 6.702 288 HG23 THR 37 2HG2 THR 37 -12.915 2.070 5.845 289 HA PRO 38 HA PRO 38 -6.634 2.175 2.444 290 HB2 PRO 38 1HB PRO 38 -4.768 1.561 4.412 291 HB3 PRO 38 2HB PRO 38 -4.969 3.139 3.626 292 HG2 PRO 38 1HG PRO 38 -6.142 2.267 6.331 293 HG3 PRO 38 2HG PRO 38 -5.248 3.757 5.971 294 HD2 PRO 38 1HD PRO 38 -7.979 3.712 6.082 295 HD3 PRO 38 2HD PRO 38 -7.181 4.721 4.845 296 H THR 39 H THR 39 -8.177 0.615 1.963 297 HA THR 39 HA THR 39 -8.557 -1.785 3.631 298 HB THR 39 HB THR 39 -9.267 -1.315 0.709 299 HG1 THR 39 HG1 THR 39 -10.509 0.071 1.258 300 HG21 THR 39 3HG2 THR 39 -10.652 -3.174 2.750 301 HG22 THR 39 1HG2 THR 39 -11.238 -2.793 1.105 302 HG23 THR 39 2HG2 THR 39 -9.722 -3.668 1.320 303 H VAL 40 H VAL 40 -6.218 -2.192 3.771 304 HA VAL 40 HA VAL 40 -4.719 -3.103 1.435 305 HB VAL 40 HB VAL 40 -2.871 -3.685 3.023 306 HG11 VAL 40 1HG1 VAL 40 -2.988 -1.524 1.789 307 HG12 VAL 40 2HG1 VAL 40 -3.954 -0.794 3.092 308 HG13 VAL 40 3HG1 VAL 40 -2.272 -1.303 3.393 309 HG21 VAL 40 3HG2 VAL 40 -4.581 -2.277 5.189 310 HG22 VAL 40 1HG2 VAL 40 -4.167 -3.995 5.179 311 HG23 VAL 40 2HG2 VAL 40 -2.883 -2.776 5.313 312 H THR 41 H THR 41 -5.408 -4.736 0.515 313 HA THR 41 HA THR 41 -6.568 -7.124 1.894 314 HB THR 41 HB THR 41 -6.735 -6.133 -0.967 315 HG1 THR 41 HG1 THR 41 -7.689 -4.718 0.460 316 HG21 THR 41 3HG2 THR 41 -8.408 -8.313 0.419 317 HG22 THR 41 1HG2 THR 41 -8.847 -7.470 -1.083 318 HG23 THR 41 2HG2 THR 41 -7.393 -8.485 -1.024 319 H PHE 42 H PHE 42 -5.008 -8.503 2.479 320 HA PHE 42 HA PHE 42 -2.533 -8.807 0.782 321 HB2 PHE 42 1HB PHE 42 -2.530 -8.078 3.209 322 HB3 PHE 42 2HB PHE 42 -3.297 -9.591 3.659 323 HD1 PHE 42 HD1 PHE 42 -0.201 -8.519 1.673 324 HD2 PHE 42 HD2 PHE 42 -1.837 -11.138 4.678 325 HE1 PHE 42 HE1 PHE 42 2.013 -9.455 2.079 326 HE2 PHE 42 HE2 PHE 42 0.408 -12.004 5.139 327 HZ PHE 42 HZ PHE 42 2.360 -11.157 3.867 328 H THR 43 H THR 43 -2.714 -10.288 -0.642 329 HA THR 43 HA THR 43 -3.887 -13.030 0.010 330 HB THR 43 HB THR 43 -4.957 -12.963 -2.208 331 HG1 THR 43 HG1 THR 43 -3.819 -10.358 -2.388 332 HG21 THR 43 3HG2 THR 43 -5.689 -10.222 -1.016 333 HG22 THR 43 1HG2 THR 43 -6.746 -11.439 -1.764 334 HG23 THR 43 2HG2 THR 43 -6.064 -11.687 -0.124 335 H MET 44 H MET 44 -2.879 -14.814 -0.788 336 HA MET 44 HA MET 44 -0.120 -14.485 -1.833 337 HB2 MET 44 1HB MET 44 0.213 -16.841 -1.568 338 HB3 MET 44 2HB MET 44 -0.353 -16.033 -0.126 339 HG2 MET 44 1HG MET 44 -2.675 -17.034 -0.470 340 HG3 MET 44 2HG MET 44 -2.076 -17.877 -1.910 341 HE1 MET 44 3HE MET 44 -2.883 -20.147 -0.728 342 HE2 MET 44 1HE MET 44 -2.308 -20.685 0.875 343 HE3 MET 44 2HE MET 44 -3.370 -19.255 0.744 344 H ASP 45 H ASP 45 0.089 -13.859 -3.898 345 HA ASP 45 HA ASP 45 -1.571 -15.118 -6.092 346 HB2 ASP 45 1HB ASP 45 -1.217 -12.623 -5.815 347 HB3 ASP 45 2HB ASP 45 0.496 -12.832 -6.180 348 H GLY 46 H GLY 46 -0.609 -17.177 -5.671 349 HA2 GLY 46 1HA GLY 46 0.558 -19.005 -6.775 350 HA3 GLY 46 2HA GLY 46 1.446 -17.860 -7.749 351 H ASP 47 H ASP 47 2.976 -16.560 -6.313 352 HA ASP 47 HA ASP 47 4.806 -18.461 -4.779 353 HB2 ASP 47 1HB ASP 47 5.816 -17.715 -6.887 354 HB3 ASP 47 2HB ASP 47 5.436 -16.029 -6.577 355 H LYS 48 H LYS 48 3.846 -15.059 -5.014 356 HA LYS 48 HA LYS 48 4.387 -14.655 -2.033 357 HB2 LYS 48 1HB LYS 48 5.791 -12.829 -2.567 358 HB3 LYS 48 2HB LYS 48 6.329 -14.297 -3.374 359 HG2 LYS 48 1HG LYS 48 5.439 -13.460 -5.547 360 HG3 LYS 48 2HG LYS 48 4.876 -11.972 -4.783 361 HD2 LYS 48 1HD LYS 48 7.072 -11.159 -4.364 362 HD3 LYS 48 2HD LYS 48 7.831 -12.738 -4.404 363 HE2 LYS 48 1HE LYS 48 6.569 -11.513 -6.948 364 HE3 LYS 48 2HE LYS 48 8.215 -11.132 -6.441 365 HZ1 LYS 48 2HZ LYS 48 7.478 -13.985 -6.519 366 HZ3 LYS 48 1HZ LYS 48 8.907 -13.313 -6.739 367 H MET 49 H MET 49 3.848 -12.141 -1.542 368 HA MET 49 HA MET 49 0.850 -12.599 -1.619 369 HB2 MET 49 1HB MET 49 2.526 -11.382 0.643 370 HB3 MET 49 2HB MET 49 0.767 -11.373 0.566 371 HG2 MET 49 1HG MET 49 1.336 -13.189 1.996 372 HG3 MET 49 2HG MET 49 0.699 -13.884 0.507 373 HE1 MET 49 3HE MET 49 5.068 -14.136 2.034 374 HE2 MET 49 1HE MET 49 4.334 -12.530 1.761 375 HE3 MET 49 2HE MET 49 3.640 -13.636 2.986 376 H THR 50 H THR 50 -0.524 -11.016 -2.016 377 HA THR 50 HA THR 50 0.621 -8.417 -3.154 378 HB THR 50 HB THR 50 -1.723 -10.113 -4.218 379 HG1 THR 50 HG1 THR 50 0.305 -11.030 -4.565 380 HG21 THR 50 3HG2 THR 50 -1.950 -7.648 -4.779 381 HG22 THR 50 1HG2 THR 50 -0.334 -7.658 -5.484 382 HG23 THR 50 2HG2 THR 50 -1.609 -8.651 -6.210 383 H MET 51 H MET 51 -0.100 -6.708 -2.205 384 HA MET 51 HA MET 51 -2.611 -6.667 -0.510 385 HB2 MET 51 1HB MET 51 -0.405 -4.597 -0.869 386 HB3 MET 51 2HB MET 51 -1.993 -4.122 -0.305 387 HG2 MET 51 1HG MET 51 -1.904 -5.665 1.632 388 HG3 MET 51 2HG MET 51 -0.326 -6.284 1.118 389 HE1 MET 51 3HE MET 51 -1.082 -4.961 3.946 390 HE2 MET 51 1HE MET 51 0.553 -5.594 3.604 391 HE3 MET 51 2HE MET 51 0.348 -3.944 4.271 392 H LEU 52 H LEU 52 -4.268 -6.753 -1.819 393 HA LEU 52 HA LEU 52 -4.541 -5.071 -4.292 394 HB2 LEU 52 1HB LEU 52 -6.659 -6.856 -2.954 395 HB3 LEU 52 2HB LEU 52 -6.713 -6.220 -4.573 396 HG LEU 52 HG LEU 52 -4.513 -8.158 -3.583 397 HD11 LEU 52 1HD1 LEU 52 -5.688 -9.998 -4.546 398 HD12 LEU 52 2HD1 LEU 52 -6.787 -9.222 -3.396 399 HD13 LEU 52 3HD1 LEU 52 -7.036 -8.975 -5.143 400 HD21 LEU 52 3HD2 LEU 52 -5.369 -7.342 -6.444 401 HD22 LEU 52 1HD2 LEU 52 -3.867 -6.896 -5.585 402 HD23 LEU 52 2HD2 LEU 52 -4.163 -8.587 -6.033 403 H THR 53 H THR 53 -4.062 -3.250 -2.805 404 HA THR 53 HA THR 53 -5.721 -2.345 -0.733 405 HB THR 53 HB THR 53 -3.811 -0.768 -2.522 406 HG1 THR 53 HG1 THR 53 -2.365 -1.262 -0.887 407 HG21 THR 53 3HG2 THR 53 -4.849 -0.101 0.315 408 HG22 THR 53 1HG2 THR 53 -3.464 0.706 -0.481 409 HG23 THR 53 2HG2 THR 53 -5.096 0.872 -1.157 410 H GLU 54 H GLU 54 -7.587 -1.434 -0.637 411 HA GLU 54 HA GLU 54 -8.851 -0.206 -3.120 412 HB2 GLU 54 1HB GLU 54 -9.274 -2.571 -2.643 413 HB3 GLU 54 2HB GLU 54 -9.876 -2.266 -1.041 414 HG2 GLU 54 1HG GLU 54 -11.207 -1.457 -3.673 415 HG3 GLU 54 2HG GLU 54 -11.578 -2.841 -2.669 416 H SER 55 H SER 55 -8.417 1.841 -2.457 417 HA SER 55 HA SER 55 -10.316 2.993 -0.329 418 HB2 SER 55 1HB SER 55 -7.530 4.067 -1.175 419 HB3 SER 55 2HB SER 55 -8.652 4.939 -0.124 420 HG SER 55 HG SER 55 -8.585 3.011 1.276 421 H THR 56 H THR 56 -11.323 5.132 -1.003 422 HA THR 56 HA THR 56 -11.926 5.394 -3.785 423 HB THR 56 HB THR 56 -12.137 7.444 -1.525 424 HG1 THR 56 HG1 THR 56 -14.186 6.081 -2.870 425 HG21 THR 56 3HG2 THR 56 -12.347 8.787 -3.646 426 HG22 THR 56 1HG2 THR 56 -13.503 7.615 -4.301 427 HG23 THR 56 2HG2 THR 56 -13.919 8.580 -2.863 428 H PHE 57 H PHE 57 -9.238 6.908 -2.191 429 HA PHE 57 HA PHE 57 -8.336 8.261 -4.793 430 HB2 PHE 57 1HB PHE 57 -7.693 8.728 -1.829 431 HB3 PHE 57 2HB PHE 57 -6.435 9.061 -2.980 432 HD1 PHE 57 HD1 PHE 57 -10.169 9.778 -2.556 433 HD2 PHE 57 HD2 PHE 57 -6.371 11.306 -3.896 434 HE1 PHE 57 HE1 PHE 57 -11.188 11.958 -2.992 435 HE2 PHE 57 HE2 PHE 57 -7.398 13.476 -4.319 436 HZ PHE 57 HZ PHE 57 -9.813 13.827 -3.870 437 H LYS 58 H LYS 58 -7.479 5.624 -2.661 438 HA LYS 58 HA LYS 58 -5.274 4.870 -4.672 439 HB2 LYS 58 1HB LYS 58 -5.039 4.375 -1.646 440 HB3 LYS 58 2HB LYS 58 -3.979 3.726 -2.889 441 HG2 LYS 58 1HG LYS 58 -3.491 6.191 -3.611 442 HG3 LYS 58 2HG LYS 58 -4.298 6.704 -2.138 443 HD2 LYS 58 1HD LYS 58 -1.797 4.902 -2.387 444 HD3 LYS 58 2HD LYS 58 -1.823 6.600 -1.929 445 HE2 LYS 58 1HE LYS 58 -3.114 6.033 0.196 446 HE3 LYS 58 2HE LYS 58 -3.100 4.325 -0.268 447 HZ1 LYS 58 3HZ LYS 58 -0.485 4.650 -0.507 448 HZ2 LYS 58 1HZ LYS 58 -0.670 5.967 0.460 449 HZ3 LYS 58 2HZ LYS 58 -1.059 4.436 0.976 450 H ASN 59 H ASN 59 -7.365 3.956 -5.501 451 HA ASN 59 HA ASN 59 -7.796 1.121 -4.470 452 HB2 ASN 59 1HB ASN 59 -9.528 3.002 -5.704 453 HB3 ASN 59 2HB ASN 59 -9.194 1.911 -7.007 454 HD21 ASN 59 1HD2 ASN 59 -10.876 2.349 -4.133 455 HD22 ASN 59 2HD2 ASN 59 -11.644 0.689 -4.029 456 H LEU 60 H LEU 60 -5.828 0.194 -4.847 457 HA LEU 60 HA LEU 60 -4.975 -0.409 -7.616 458 HB2 LEU 60 1HB LEU 60 -2.761 0.759 -7.535 459 HB3 LEU 60 2HB LEU 60 -4.141 1.819 -7.519 460 HG LEU 60 HG LEU 60 -3.801 1.723 -4.810 461 HD11 LEU 60 1HD1 LEU 60 -1.788 0.171 -4.851 462 HD12 LEU 60 2HD1 LEU 60 -0.916 1.303 -5.897 463 HD13 LEU 60 3HD1 LEU 60 -1.345 1.765 -4.235 464 HD21 LEU 60 3HD2 LEU 60 -2.088 3.492 -6.695 465 HD22 LEU 60 1HD2 LEU 60 -3.778 3.801 -6.238 466 HD23 LEU 60 2HD2 LEU 60 -2.503 3.853 -5.005 467 H SER 61 H SER 61 -3.480 -2.091 -7.841 468 HA SER 61 HA SER 61 -3.005 -3.666 -5.312 469 HB2 SER 61 1HB SER 61 -2.672 -5.601 -6.858 470 HB3 SER 61 2HB SER 61 -4.256 -4.823 -7.041 471 HG SER 61 HG SER 61 -3.093 -5.356 -9.033 472 H VAL 62 H VAL 62 -1.038 -4.301 -4.550 473 HA VAL 62 HA VAL 62 1.444 -3.994 -6.263 474 HB VAL 62 HB VAL 62 2.643 -3.388 -4.195 475 HG11 VAL 62 1HG1 VAL 62 0.707 -1.275 -5.324 476 HG12 VAL 62 2HG1 VAL 62 2.254 -0.960 -4.493 477 HG13 VAL 62 3HG1 VAL 62 2.243 -1.783 -6.058 478 HG21 VAL 62 3HG2 VAL 62 1.447 -2.058 -2.443 479 HG22 VAL 62 1HG2 VAL 62 -0.122 -2.589 -3.105 480 HG23 VAL 62 2HG2 VAL 62 1.007 -3.785 -2.413 481 H THR 63 H THR 63 2.789 -5.645 -6.237 482 HA THR 63 HA THR 63 2.204 -8.057 -4.452 483 HB THR 63 HB THR 63 3.435 -8.118 -7.253 484 HG1 THR 63 HG1 THR 63 1.002 -9.262 -6.343 485 HG21 THR 63 3HG2 THR 63 3.144 -10.594 -7.085 486 HG22 THR 63 1HG2 THR 63 4.263 -10.043 -5.815 487 HG23 THR 63 2HG2 THR 63 2.604 -10.463 -5.398 488 H PHE 64 H PHE 64 3.780 -9.070 -3.440 489 HA PHE 64 HA PHE 64 6.635 -8.286 -3.451 490 HB2 PHE 64 1HB PHE 64 6.747 -7.052 -1.344 491 HB3 PHE 64 2HB PHE 64 5.699 -6.253 -2.475 492 HD1 PHE 64 HD1 PHE 64 3.216 -6.137 -2.097 493 HD2 PHE 64 HD2 PHE 64 5.820 -7.966 0.803 494 HE1 PHE 64 HE1 PHE 64 1.468 -5.949 -0.414 495 HE2 PHE 64 HE2 PHE 64 4.062 -7.740 2.512 496 HZ PHE 64 HZ PHE 64 1.880 -6.726 1.923 497 H LYS 65 H LYS 65 7.815 -9.103 -1.544 498 HA LYS 65 HA LYS 65 6.422 -11.316 -0.025 499 HB2 LYS 65 1HB LYS 65 7.947 -12.993 -0.295 500 HB3 LYS 65 2HB LYS 65 7.799 -12.331 -1.904 501 HG2 LYS 65 1HG LYS 65 9.991 -11.111 -1.641 502 HG3 LYS 65 2HG LYS 65 10.174 -11.764 -0.013 503 HD2 LYS 65 1HD LYS 65 9.937 -14.142 -1.000 504 HD3 LYS 65 2HD LYS 65 9.933 -13.447 -2.611 505 HE2 LYS 65 1HE LYS 65 12.237 -13.195 -0.538 506 HE3 LYS 65 2HE LYS 65 12.155 -14.395 -1.835 507 HZ1 LYS 65 3HZ LYS 65 11.950 -12.287 -3.407 508 HZ2 LYS 65 1HZ LYS 65 12.382 -11.371 -2.172 509 HZ3 LYS 65 2HZ LYS 65 13.454 -12.508 -2.731 510 H PHE 66 H PHE 66 7.832 -12.045 1.902 511 HA PHE 66 HA PHE 66 8.619 -9.663 3.493 512 HB2 PHE 66 1HB PHE 66 9.204 -11.155 5.279 513 HB3 PHE 66 2HB PHE 66 7.552 -11.179 4.767 514 HD1 PHE 66 HD1 PHE 66 10.683 -13.189 5.022 515 HD2 PHE 66 HD2 PHE 66 6.532 -13.252 3.863 516 HE1 PHE 66 HE1 PHE 66 10.723 -15.646 4.988 517 HE2 PHE 66 HE2 PHE 66 6.581 -15.715 3.844 518 HZ PHE 66 HZ PHE 66 8.673 -16.923 4.400 519 H GLY 67 H GLY 67 10.015 -9.018 1.751 520 HA2 GLY 67 1HA GLY 67 12.778 -9.019 2.883 521 HA3 GLY 67 2HA GLY 67 12.697 -9.812 1.299 522 H GLU 68 H GLU 68 11.358 -8.466 -0.286 523 HA GLU 68 HA GLU 68 12.992 -6.213 -0.910 524 HB2 GLU 68 1HB GLU 68 10.347 -7.133 -2.244 525 HB3 GLU 68 2HB GLU 68 11.409 -5.918 -2.913 526 HG2 GLU 68 1HG GLU 68 12.126 -7.711 -4.110 527 HG3 GLU 68 2HG GLU 68 13.340 -7.708 -2.848 528 H GLU 69 H GLU 69 12.621 -4.102 -1.398 529 HA GLU 69 HA GLU 69 10.640 -2.510 0.190 530 HB2 GLU 69 1HB GLU 69 12.819 -1.734 -1.838 531 HB3 GLU 69 2HB GLU 69 11.663 -0.578 -1.218 532 HG2 GLU 69 1HG GLU 69 12.363 -1.013 1.142 533 HG3 GLU 69 2HG GLU 69 13.589 -2.162 0.590 534 H PHE 70 H PHE 70 8.598 -3.009 -0.562 535 HA PHE 70 HA PHE 70 7.974 -3.014 -3.443 536 HB2 PHE 70 1HB PHE 70 5.930 -3.867 -3.047 537 HB3 PHE 70 2HB PHE 70 7.058 -4.611 -1.959 538 HD1 PHE 70 HD1 PHE 70 4.094 -2.344 -2.185 539 HD2 PHE 70 HD2 PHE 70 6.721 -4.451 0.489 540 HE1 PHE 70 HE1 PHE 70 2.480 -2.035 -0.347 541 HE2 PHE 70 HE2 PHE 70 5.067 -4.177 2.306 542 HZ PHE 70 HZ PHE 70 2.953 -2.968 1.894 543 H ASP 71 H ASP 71 7.856 -1.081 -4.560 544 HA ASP 71 HA ASP 71 6.960 1.427 -3.465 545 HB2 ASP 71 1HB ASP 71 7.335 0.540 -6.322 546 HB3 ASP 71 2HB ASP 71 6.737 2.141 -5.951 547 H GLU 72 H GLU 72 5.017 2.244 -3.058 548 HA GLU 72 HA GLU 72 2.620 1.442 -4.790 549 HB2 GLU 72 1HB GLU 72 1.057 1.861 -3.112 550 HB3 GLU 72 2HB GLU 72 2.179 0.649 -2.565 551 HG2 GLU 72 1HG GLU 72 2.725 1.803 -0.676 552 HG3 GLU 72 2HG GLU 72 3.106 3.267 -1.539 553 H LYS 73 H LYS 73 1.820 3.000 -5.965 554 HA LYS 73 HA LYS 73 3.029 5.786 -5.731 555 HB2 LYS 73 1HB LYS 73 3.334 4.405 -7.825 556 HB3 LYS 73 2HB LYS 73 1.616 4.475 -8.137 557 HG2 LYS 73 1HG LYS 73 2.785 7.233 -7.693 558 HG3 LYS 73 2HG LYS 73 3.718 6.328 -8.848 559 HD2 LYS 73 1HD LYS 73 2.162 7.556 -10.110 560 HD3 LYS 73 2HD LYS 73 1.663 5.872 -10.239 561 HE2 LYS 73 1HE LYS 73 -0.150 6.270 -8.483 562 HE3 LYS 73 2HE LYS 73 0.398 7.933 -8.281 563 HZ1 LYS 73 3HZ LYS 73 -0.142 8.333 -10.693 564 HZ2 LYS 73 1HZ LYS 73 -0.644 6.782 -10.878 565 HZ3 LYS 73 2HZ LYS 73 -1.486 7.807 -9.905 566 H THR 74 H THR 74 1.911 7.307 -4.862 567 HA THR 74 HA THR 74 -0.914 6.927 -4.186 568 HB THR 74 HB THR 74 -0.623 8.827 -2.694 569 HG1 THR 74 HG1 THR 74 1.504 9.839 -2.692 570 HG21 THR 74 3HG2 THR 74 1.355 8.136 -1.334 571 HG22 THR 74 1HG2 THR 74 0.510 6.687 -1.930 572 HG23 THR 74 2HG2 THR 74 2.007 7.195 -2.698 573 H SER 75 H SER 75 -2.728 8.230 -4.602 574 HA SER 75 HA SER 75 -2.904 9.958 -6.919 575 HB2 SER 75 1HB SER 75 -4.833 8.821 -5.931 576 HB3 SER 75 2HB SER 75 -4.756 9.832 -4.485 577 HG SER 75 HG SER 75 -4.792 11.612 -6.292 578 H ASP 76 H ASP 76 -1.754 10.832 -3.804 579 HA ASP 76 HA ASP 76 -1.634 13.770 -4.118 580 HB2 ASP 76 1HB ASP 76 -1.437 12.750 -1.963 581 HB3 ASP 76 2HB ASP 76 -0.213 11.603 -2.477 582 H GLY 77 H GLY 77 0.496 11.091 -5.024 583 HA2 GLY 77 1HA GLY 77 1.620 11.167 -7.242 584 HA3 GLY 77 2HA GLY 77 1.975 12.868 -7.024 585 H ARG 78 H ARG 78 2.545 9.851 -5.179 586 HA ARG 78 HA ARG 78 5.538 10.371 -5.090 587 HB2 ARG 78 1HB ARG 78 3.907 9.459 -2.630 588 HB3 ARG 78 2HB ARG 78 5.606 9.869 -2.688 589 HG2 ARG 78 1HG ARG 78 3.212 11.801 -2.898 590 HG3 ARG 78 2HG ARG 78 4.085 11.413 -1.459 591 HD2 ARG 78 1HD ARG 78 5.521 13.140 -1.792 592 HD3 ARG 78 2HD ARG 78 6.180 12.324 -3.191 593 HE ARG 78 HE ARG 78 4.675 13.519 -4.693 594 HH11 ARG 78 1HH1 ARG 78 3.975 14.461 -1.404 595 HH12 ARG 78 2HH1 ARG 78 2.448 15.227 -2.002 596 HH21 ARG 78 1HH2 ARG 78 3.126 14.717 -5.247 597 HH22 ARG 78 2HH2 ARG 78 2.143 15.591 -3.995 598 H ASN 79 H ASN 79 6.387 8.477 -5.915 599 HA ASN 79 HA ASN 79 5.149 5.804 -5.308 600 HB2 ASN 79 1HB ASN 79 6.795 4.696 -6.507 601 HB3 ASN 79 2HB ASN 79 6.152 6.000 -7.463 602 HD21 ASN 79 1HD2 ASN 79 9.014 4.634 -6.159 603 HD22 ASN 79 2HD2 ASN 79 10.116 5.940 -6.875 604 H VAL 80 H VAL 80 5.260 5.055 -3.287 605 HA VAL 80 HA VAL 80 7.764 5.701 -1.623 606 HB VAL 80 HB VAL 80 6.629 5.811 0.373 607 HG11 VAL 80 1HG1 VAL 80 5.121 7.706 -1.564 608 HG12 VAL 80 2HG1 VAL 80 5.516 8.026 0.142 609 HG13 VAL 80 3HG1 VAL 80 6.809 7.921 -1.078 610 HG21 VAL 80 3HG2 VAL 80 3.860 5.538 -1.018 611 HG22 VAL 80 1HG2 VAL 80 4.577 4.374 0.117 612 HG23 VAL 80 2HG2 VAL 80 4.141 5.989 0.687 613 H LYS 81 H LYS 81 8.492 4.045 -0.364 614 HA LYS 81 HA LYS 81 7.655 1.336 -1.422 615 HB2 LYS 81 1HB LYS 81 9.804 0.581 -1.908 616 HB3 LYS 81 2HB LYS 81 9.489 2.074 -2.725 617 HG2 LYS 81 1HG LYS 81 10.878 3.248 -0.778 618 HG3 LYS 81 2HG LYS 81 11.318 1.613 -0.312 619 HD2 LYS 81 1HD LYS 81 13.085 2.310 -1.564 620 HD3 LYS 81 2HD LYS 81 12.268 1.216 -2.647 621 HE2 LYS 81 1HE LYS 81 11.759 4.281 -2.804 622 HE3 LYS 81 2HE LYS 81 13.264 3.597 -3.409 623 HZ1 LYS 81 3HZ LYS 81 11.551 1.939 -4.685 624 HZ2 LYS 81 1HZ LYS 81 10.496 3.088 -4.554 625 HZ3 LYS 81 2HZ LYS 81 11.905 3.409 -5.343 626 H SER 82 H SER 82 8.641 -0.449 -0.095 627 HA SER 82 HA SER 82 8.488 0.165 2.881 628 HB2 SER 82 1HB SER 82 6.348 -1.314 1.250 629 HB3 SER 82 2HB SER 82 6.489 -1.504 2.999 630 HG SER 82 HG SER 82 6.504 1.083 1.887 631 H VAL 83 H VAL 83 10.165 -0.876 3.683 632 HA VAL 83 HA VAL 83 11.125 -3.497 2.564 633 HB VAL 83 HB VAL 83 12.675 -1.682 3.223 634 HG11 VAL 83 1HG1 VAL 83 12.164 -2.347 6.155 635 HG12 VAL 83 2HG1 VAL 83 13.511 -1.395 5.483 636 HG13 VAL 83 3HG1 VAL 83 11.854 -0.817 5.276 637 HG21 VAL 83 3HG2 VAL 83 13.462 -4.016 2.859 638 HG22 VAL 83 1HG2 VAL 83 14.412 -3.203 4.123 639 HG23 VAL 83 2HG2 VAL 83 13.174 -4.400 4.571 640 H VAL 84 H VAL 84 10.331 -5.365 3.160 641 HA VAL 84 HA VAL 84 8.569 -5.539 5.626 642 HB VAL 84 HB VAL 84 8.692 -7.420 3.195 643 HG11 VAL 84 1HG1 VAL 84 7.464 -8.188 5.405 644 HG12 VAL 84 2HG1 VAL 84 6.303 -6.877 5.106 645 HG13 VAL 84 3HG1 VAL 84 6.476 -8.196 3.924 646 HG21 VAL 84 3HG2 VAL 84 6.591 -6.242 2.359 647 HG22 VAL 84 1HG2 VAL 84 6.959 -4.898 3.476 648 HG23 VAL 84 2HG2 VAL 84 8.086 -5.326 2.184 649 H GLU 85 H GLU 85 9.241 -6.693 7.310 650 HA GLU 85 HA GLU 85 9.933 -9.433 6.776 651 HB2 GLU 85 1HB GLU 85 12.269 -8.608 6.669 652 HB3 GLU 85 2HB GLU 85 12.191 -8.053 8.330 653 HG2 GLU 85 1HG GLU 85 13.375 -10.233 8.101 654 HG3 GLU 85 2HG GLU 85 11.999 -10.399 9.165 655 H LYS 86 H LYS 86 9.664 -10.780 8.351 656 HA LYS 86 HA LYS 86 7.559 -10.109 10.380 657 HB2 LYS 86 1HB LYS 86 7.441 -11.941 8.652 658 HB3 LYS 86 2HB LYS 86 8.904 -12.671 9.334 659 HG2 LYS 86 1HG LYS 86 7.687 -13.288 11.412 660 HG3 LYS 86 2HG LYS 86 6.287 -12.351 10.916 661 HD2 LYS 86 1HD LYS 86 5.807 -14.640 10.545 662 HD3 LYS 86 2HD LYS 86 5.814 -13.828 9.007 663 HE2 LYS 86 1HE LYS 86 8.172 -15.545 10.085 664 HE3 LYS 86 2HE LYS 86 6.822 -16.192 9.152 665 HZ1 LYS 86 3HZ LYS 86 8.682 -15.686 7.606 666 HZ2 LYS 86 1HZ LYS 86 7.481 -14.623 7.268 667 HZ3 LYS 86 2HZ LYS 86 8.792 -14.134 8.102 668 H ASN 87 H ASN 87 7.872 -10.177 12.533 669 HA ASN 87 HA ASN 87 10.626 -10.935 13.689 670 HB2 ASN 87 1HB ASN 87 9.960 -8.610 14.149 671 HB3 ASN 87 2HB ASN 87 8.431 -9.104 14.824 672 HD21 ASN 87 1HD2 ASN 87 11.939 -9.414 15.385 673 HD22 ASN 87 2HD2 ASN 87 11.699 -9.522 17.208 674 H SER 88 H SER 88 7.175 -11.163 14.465 675 HA SER 88 HA SER 88 7.509 -14.166 14.871 676 HB2 SER 88 1HB SER 88 7.139 -13.083 17.136 677 HB3 SER 88 2HB SER 88 5.613 -12.384 16.560 678 HG SER 88 HG SER 88 5.344 -14.387 17.662 679 H GLU 89 H GLU 89 5.321 -15.198 14.545 680 HA GLU 89 HA GLU 89 3.934 -14.218 12.049 681 HB2 GLU 89 1HB GLU 89 4.545 -16.611 12.444 682 HB3 GLU 89 2HB GLU 89 3.464 -16.680 13.830 683 HG2 GLU 89 1HG GLU 89 2.460 -17.776 11.941 684 HG3 GLU 89 2HG GLU 89 1.492 -16.396 12.381 685 H SER 90 H SER 90 3.697 -13.111 14.935 686 HA SER 90 HA SER 90 1.194 -11.754 14.181 687 HB2 SER 90 1HB SER 90 0.142 -11.656 16.404 688 HB3 SER 90 2HB SER 90 0.364 -13.345 15.939 689 HG SER 90 HG SER 90 1.014 -12.885 18.108 690 H LYS 91 H LYS 91 4.042 -11.035 14.015 691 HA LYS 91 HA LYS 91 3.775 -8.255 14.969 692 HB2 LYS 91 1HB LYS 91 4.592 -9.471 17.061 693 HB3 LYS 91 2HB LYS 91 6.007 -10.012 16.188 694 HG2 LYS 91 1HG LYS 91 6.721 -8.206 17.494 695 HG3 LYS 91 2HG LYS 91 6.717 -7.571 15.856 696 HD2 LYS 91 1HD LYS 91 4.518 -6.400 16.274 697 HD3 LYS 91 2HD LYS 91 4.394 -7.153 17.869 698 HE2 LYS 91 1HE LYS 91 6.538 -5.999 18.602 699 HE3 LYS 91 2HE LYS 91 6.663 -5.205 17.023 700 HZ1 LYS 91 3HZ LYS 91 4.465 -4.100 17.480 701 HZ2 LYS 91 1HZ LYS 91 4.215 -4.962 18.863 702 HZ3 LYS 91 2HZ LYS 91 5.419 -3.823 18.802 703 H LEU 92 H LEU 92 4.144 -7.644 12.880 704 HA LEU 92 HA LEU 92 6.844 -8.350 11.545 705 HB2 LEU 92 1HB LEU 92 4.708 -9.135 10.529 706 HB3 LEU 92 2HB LEU 92 4.131 -7.522 10.275 707 HG LEU 92 HG LEU 92 6.852 -8.219 9.164 708 HD11 LEU 92 1HD1 LEU 92 5.967 -9.398 7.179 709 HD12 LEU 92 2HD1 LEU 92 5.620 -10.304 8.656 710 HD13 LEU 92 3HD1 LEU 92 4.321 -9.390 7.861 711 HD21 LEU 92 3HD2 LEU 92 4.601 -6.907 7.568 712 HD22 LEU 92 1HD2 LEU 92 5.522 -5.962 8.742 713 HD23 LEU 92 2HD2 LEU 92 6.357 -6.745 7.397 714 H THR 93 H THR 93 7.736 -6.553 10.113 715 HA THR 93 HA THR 93 7.029 -3.745 11.035 716 HB THR 93 HB THR 93 9.744 -5.087 11.391 717 HG1 THR 93 HG1 THR 93 7.809 -4.960 12.889 718 HG21 THR 93 3HG2 THR 93 10.493 -2.822 12.322 719 HG22 THR 93 1HG2 THR 93 10.365 -2.856 10.559 720 HG23 THR 93 2HG2 THR 93 9.102 -2.056 11.517 721 H GLN 94 H GLN 94 6.161 -3.446 9.178 722 HA GLN 94 HA GLN 94 7.608 -3.803 6.555 723 HB2 GLN 94 1HB GLN 94 5.183 -4.483 6.975 724 HB3 GLN 94 2HB GLN 94 4.779 -2.807 7.261 725 HG2 GLN 94 1HG GLN 94 6.018 -2.831 4.644 726 HG3 GLN 94 2HG GLN 94 5.149 -4.337 4.724 727 HE21 GLN 94 1HE2 GLN 94 4.804 -0.946 4.331 728 HE22 GLN 94 2HE2 GLN 94 2.975 -1.005 4.172 729 H THR 95 H THR 95 9.253 -2.131 6.923 730 HA THR 95 HA THR 95 8.428 0.523 8.046 731 HB THR 95 HB THR 95 11.232 -0.354 7.209 732 HG1 THR 95 HG1 THR 95 10.300 -1.622 8.752 733 HG21 THR 95 3HG2 THR 95 10.174 2.085 8.773 734 HG22 THR 95 1HG2 THR 95 11.812 1.443 8.984 735 HG23 THR 95 2HG2 THR 95 11.290 2.065 7.409 736 H GLN 96 H GLN 96 7.941 2.302 6.920 737 HA GLN 96 HA GLN 96 7.636 1.959 3.940 738 HB2 GLN 96 1HB GLN 96 6.373 3.894 5.966 739 HB3 GLN 96 2HB GLN 96 6.230 4.149 4.237 740 HG2 GLN 96 1HG GLN 96 5.033 1.983 3.959 741 HG3 GLN 96 2HG GLN 96 5.324 1.543 5.627 742 HE21 GLN 96 1HE2 GLN 96 3.968 4.357 3.873 743 HE22 GLN 96 2HE2 GLN 96 2.493 4.460 4.962 744 H VAL 97 H VAL 97 8.959 2.985 2.511 745 HA VAL 97 HA VAL 97 11.060 4.961 3.624 746 HB VAL 97 HB VAL 97 11.409 2.861 1.453 747 HG11 VAL 97 1HG1 VAL 97 13.706 3.694 1.273 748 HG12 VAL 97 2HG1 VAL 97 12.668 5.149 1.219 749 HG13 VAL 97 3HG1 VAL 97 13.530 4.750 2.706 750 HG21 VAL 97 3HG2 VAL 97 11.505 1.784 3.704 751 HG22 VAL 97 1HG2 VAL 97 13.128 1.895 3.011 752 HG23 VAL 97 2HG2 VAL 97 12.624 3.033 4.296 753 H ASP 98 H ASP 98 9.573 6.553 3.279 754 HA ASP 98 HA ASP 98 8.533 7.319 0.673 755 HB2 ASP 98 1HB ASP 98 8.605 8.510 3.544 756 HB3 ASP 98 2HB ASP 98 7.606 9.171 2.290 757 HA PRO 99 HA PRO 99 11.653 10.670 -0.223 758 HB2 PRO 99 1HB PRO 99 10.149 12.950 -0.873 759 HB3 PRO 99 2HB PRO 99 10.350 11.533 -1.924 760 HG2 PRO 99 1HG PRO 99 8.022 12.065 0.032 761 HG3 PRO 99 2HG PRO 99 7.907 11.677 -1.707 762 HD2 PRO 99 1HD PRO 99 7.626 9.696 0.157 763 HD3 PRO 99 2HD PRO 99 8.569 9.361 -1.331 764 H LYS 100 H LYS 100 9.759 10.856 2.457 765 HA LYS 100 HA LYS 100 11.789 12.713 3.793 766 HB2 LYS 100 1HB LYS 100 8.845 12.914 4.010 767 HB3 LYS 100 2HB LYS 100 9.427 12.357 5.539 768 HG2 LYS 100 1HG LYS 100 10.525 14.849 4.093 769 HG3 LYS 100 2HG LYS 100 9.187 14.859 5.235 770 HD2 LYS 100 1HD LYS 100 10.651 13.860 7.033 771 HD3 LYS 100 2HD LYS 100 12.036 13.867 5.970 772 HE2 LYS 100 1HE LYS 100 10.447 16.405 6.819 773 HE3 LYS 100 2HE LYS 100 11.872 15.797 7.661 774 HZ1 LYS 100 3HZ LYS 100 11.871 16.645 4.759 775 HZ2 LYS 100 1HZ LYS 100 12.532 17.523 5.984 776 HZ3 LYS 100 2HZ LYS 100 13.182 16.072 5.550 777 H ASN 101 H ASN 101 11.106 9.506 3.424 778 HA ASN 101 HA ASN 101 11.194 7.569 4.615 779 HB2 ASN 101 1HB ASN 101 13.550 8.416 4.822 780 HB3 ASN 101 2HB ASN 101 13.224 8.937 6.462 781 HD21 ASN 101 1HD2 ASN 101 12.800 7.223 8.024 782 HD22 ASN 101 2HD2 ASN 101 13.272 5.494 7.610 783 H THR 102 H THR 102 9.546 6.705 5.656 784 HA THR 102 HA THR 102 8.322 7.981 8.112 785 HB THR 102 HB THR 102 7.573 5.418 6.652 786 HG1 THR 102 HG1 THR 102 6.912 6.842 5.159 787 HG21 THR 102 3HG2 THR 102 5.676 7.135 8.330 788 HG22 THR 102 1HG2 THR 102 5.461 5.479 7.757 789 HG23 THR 102 2HG2 THR 102 6.622 5.826 9.065 790 H THR 103 H THR 103 8.692 7.149 10.173 791 HA THR 103 HA THR 103 11.181 5.540 10.452 792 HB THR 103 HB THR 103 9.475 7.079 12.442 793 HG1 THR 103 HG1 THR 103 12.009 7.652 11.316 794 HG21 THR 103 3HG2 THR 103 12.351 6.008 12.863 795 HG22 THR 103 1HG2 THR 103 11.392 7.008 13.985 796 HG23 THR 103 2HG2 THR 103 10.895 5.341 13.626 797 H VAL 104 H VAL 104 11.343 3.558 11.464 798 HA VAL 104 HA VAL 104 10.069 1.449 10.798 799 HB VAL 104 HB VAL 104 10.384 0.141 12.815 800 HG11 VAL 104 1HG1 VAL 104 12.870 0.209 12.710 801 HG12 VAL 104 2HG1 VAL 104 12.156 0.338 11.099 802 HG13 VAL 104 3HG1 VAL 104 12.831 1.784 11.888 803 HG21 VAL 104 3HG2 VAL 104 11.605 2.694 14.093 804 HG22 VAL 104 1HG2 VAL 104 10.138 1.874 14.656 805 HG23 VAL 104 2HG2 VAL 104 11.697 1.041 14.742 806 H ILE 105 H ILE 105 7.989 1.308 10.184 807 HA ILE 105 HA ILE 105 5.843 1.652 12.209 808 HB ILE 105 HB ILE 105 4.283 1.736 10.597 809 HG12 ILE 105 1HG1 ILE 105 5.029 1.651 8.015 810 HG13 ILE 105 2HG1 ILE 105 6.219 0.508 8.579 811 HG21 ILE 105 1HG2 ILE 105 5.856 3.733 10.771 812 HG22 ILE 105 2HG2 ILE 105 6.702 3.170 9.333 813 HG23 ILE 105 3HG2 ILE 105 4.988 3.603 9.209 814 HD11 ILE 105 3HD1 ILE 105 3.370 -0.069 9.480 815 HD12 ILE 105 1HD1 ILE 105 3.691 -0.129 7.715 816 HD13 ILE 105 2HD1 ILE 105 4.600 -1.155 8.824 817 H VAL 106 H VAL 106 6.823 -0.110 13.393 818 HA VAL 106 HA VAL 106 6.536 -2.852 12.976 819 HB VAL 106 HB VAL 106 5.850 -3.201 15.387 820 HG11 VAL 106 1HG1 VAL 106 8.270 -2.965 14.858 821 HG12 VAL 106 2HG1 VAL 106 8.175 -1.203 15.016 822 HG13 VAL 106 3HG1 VAL 106 7.907 -2.245 16.428 823 HG21 VAL 106 3HG2 VAL 106 5.985 -0.142 15.785 824 HG22 VAL 106 1HG2 VAL 106 4.450 -0.980 15.592 825 HG23 VAL 106 2HG2 VAL 106 5.518 -1.384 16.968 826 H ARG 107 H ARG 107 4.919 -4.475 13.062 827 HA ARG 107 HA ARG 107 1.978 -3.555 12.775 828 HB2 ARG 107 1HB ARG 107 3.558 -5.682 11.208 829 HB3 ARG 107 2HB ARG 107 1.836 -5.465 11.080 830 HG2 ARG 107 1HG ARG 107 3.318 -2.909 10.526 831 HG3 ARG 107 2HG ARG 107 3.960 -4.199 9.587 832 HD2 ARG 107 1HD ARG 107 0.904 -4.082 9.515 833 HD3 ARG 107 2HD ARG 107 1.689 -2.615 9.041 834 HE ARG 107 HE ARG 107 2.335 -3.581 6.967 835 HH11 ARG 107 1HH1 ARG 107 1.781 -6.205 9.151 836 HH12 ARG 107 2HH1 ARG 107 1.883 -7.440 7.800 837 HH21 ARG 107 1HH2 ARG 107 2.473 -4.925 5.509 838 HH22 ARG 107 2HH2 ARG 107 2.277 -6.724 5.807 839 H GLU 108 H GLU 108 1.160 -4.184 14.721 840 HA GLU 108 HA GLU 108 1.616 -7.072 15.697 841 HB2 GLU 108 1HB GLU 108 2.408 -5.007 17.019 842 HB3 GLU 108 2HB GLU 108 0.734 -4.519 17.222 843 HG2 GLU 108 1HG GLU 108 0.309 -6.581 18.640 844 HG3 GLU 108 2HG GLU 108 1.928 -7.182 18.289 845 H VAL 109 H VAL 109 -0.477 -7.584 17.232 846 HA VAL 109 HA VAL 109 -3.055 -6.571 16.110 847 HB VAL 109 HB VAL 109 -2.598 -8.353 14.572 848 HG11 VAL 109 1HG1 VAL 109 -2.623 -10.761 15.139 849 HG12 VAL 109 2HG1 VAL 109 -1.322 -9.945 16.037 850 HG13 VAL 109 3HG1 VAL 109 -2.817 -10.405 16.875 851 HG21 VAL 109 3HG2 VAL 109 -4.927 -7.842 14.892 852 HG22 VAL 109 1HG2 VAL 109 -4.751 -9.594 14.713 853 HG23 VAL 109 2HG2 VAL 109 -5.044 -8.898 16.303 854 H ASP 110 H ASP 110 -4.520 -6.294 17.635 855 HA ASP 110 HA ASP 110 -4.381 -7.955 20.216 856 HB2 ASP 110 1HB ASP 110 -5.437 -5.169 19.569 857 HB3 ASP 110 2HB ASP 110 -6.248 -6.042 20.809 858 H GLY 111 H GLY 111 -5.040 -9.619 18.548 859 HA2 GLY 111 1HA GLY 111 -6.779 -11.356 18.415 860 HA3 GLY 111 2HA GLY 111 -7.982 -10.230 18.999 861 H ASP 112 H ASP 112 -9.120 -9.007 17.470 862 HA ASP 112 HA ASP 112 -8.495 -9.466 14.512 863 HB2 ASP 112 1HB ASP 112 -10.720 -9.351 13.933 864 HB3 ASP 112 2HB ASP 112 -10.748 -10.323 15.383 865 H THR 113 H THR 113 -7.193 -7.360 16.117 866 HA THR 113 HA THR 113 -8.055 -4.939 14.587 867 HB THR 113 HB THR 113 -9.300 -4.662 16.569 868 HG1 THR 113 HG1 THR 113 -7.374 -2.659 16.704 869 HG21 THR 113 3HG2 THR 113 -8.368 -3.783 18.656 870 HG22 THR 113 1HG2 THR 113 -7.959 -5.489 18.459 871 HG23 THR 113 2HG2 THR 113 -6.725 -4.253 18.196 872 H MET 114 H MET 114 -6.433 -5.514 13.435 873 HA MET 114 HA MET 114 -3.707 -5.944 14.190 874 HB2 MET 114 1HB MET 114 -4.730 -6.584 12.025 875 HB3 MET 114 2HB MET 114 -4.602 -4.927 11.446 876 HG2 MET 114 1HG MET 114 -2.104 -5.021 11.639 877 HG3 MET 114 2HG MET 114 -2.195 -6.594 12.457 878 HE1 MET 114 3HE MET 114 -0.513 -7.589 10.890 879 HE2 MET 114 1HE MET 114 -0.690 -7.678 9.115 880 HE3 MET 114 2HE MET 114 -0.400 -6.094 9.906 881 H LYS 115 H LYS 115 -2.713 -4.669 15.385 882 HA LYS 115 HA LYS 115 -2.965 -1.669 15.444 883 HB2 LYS 115 1HB LYS 115 -3.248 -3.211 17.395 884 HB3 LYS 115 2HB LYS 115 -1.606 -3.821 17.184 885 HG2 LYS 115 1HG LYS 115 -0.953 -1.196 17.582 886 HG3 LYS 115 2HG LYS 115 -2.545 -1.142 18.326 887 HD2 LYS 115 1HD LYS 115 -0.207 -3.055 18.995 888 HD3 LYS 115 2HD LYS 115 -0.653 -1.646 19.942 889 HE2 LYS 115 1HE LYS 115 -2.826 -2.683 20.642 890 HE3 LYS 115 2HE LYS 115 -2.617 -3.998 19.510 891 HZ1 LYS 115 3HZ LYS 115 -1.124 -3.660 22.052 892 HZ2 LYS 115 1HZ LYS 115 -1.933 -4.964 21.409 893 HZ3 LYS 115 2HZ LYS 115 -0.392 -4.524 20.822 894 H THR 116 H THR 116 -1.689 -0.842 13.770 895 HA THR 116 HA THR 116 1.265 -1.608 13.733 896 HB THR 116 HB THR 116 0.400 -2.465 11.767 897 HG1 THR 116 HG1 THR 116 2.477 -1.248 12.004 898 HG21 THR 116 3HG2 THR 116 -1.516 -0.961 11.177 899 HG22 THR 116 1HG2 THR 116 -0.363 0.341 10.782 900 HG23 THR 116 2HG2 THR 116 -0.358 -1.163 9.842 901 H THR 117 H THR 117 2.061 -0.193 15.010 902 HA THR 117 HA THR 117 1.323 2.562 15.324 903 HB THR 117 HB THR 117 4.011 1.216 16.010 904 HG1 THR 117 HG1 THR 117 2.873 0.823 18.066 905 HG21 THR 117 3HG2 THR 117 3.855 3.674 16.637 906 HG22 THR 117 1HG2 THR 117 2.388 3.336 17.581 907 HG23 THR 117 2HG2 THR 117 3.954 2.646 18.073 908 H VAL 118 H VAL 118 1.533 4.001 13.573 909 HA VAL 118 HA VAL 118 4.159 4.021 12.095 910 HB VAL 118 HB VAL 118 2.290 4.023 10.743 911 HG11 VAL 118 1HG1 VAL 118 0.537 5.284 11.985 912 HG12 VAL 118 2HG1 VAL 118 1.458 6.778 11.824 913 HG13 VAL 118 3HG1 VAL 118 0.797 6.037 10.378 914 HG21 VAL 118 3HG2 VAL 118 3.464 6.863 10.391 915 HG22 VAL 118 1HG2 VAL 118 4.474 5.470 10.168 916 HG23 VAL 118 2HG2 VAL 118 3.043 5.689 9.126 917 H THR 119 H THR 119 5.732 4.893 13.277 918 HA THR 119 HA THR 119 5.280 7.773 14.240 919 HB THR 119 HB THR 119 6.060 6.379 16.011 920 HG1 THR 119 HG1 THR 119 8.300 7.459 16.123 921 HG21 THR 119 3HG2 THR 119 7.299 4.556 14.805 922 HG22 THR 119 1HG2 THR 119 8.558 5.693 14.322 923 HG23 THR 119 2HG2 THR 119 8.308 5.293 16.055 924 H VAL 120 H VAL 120 6.694 9.401 13.651 925 HA VAL 120 HA VAL 120 8.644 8.876 11.341 926 HB VAL 120 HB VAL 120 6.593 11.163 11.147 927 HG11 VAL 120 1HG1 VAL 120 8.685 11.511 9.839 928 HG12 VAL 120 2HG1 VAL 120 8.569 9.906 9.112 929 HG13 VAL 120 3HG1 VAL 120 7.360 11.137 8.717 930 HG21 VAL 120 3HG2 VAL 120 6.436 8.344 9.975 931 HG22 VAL 120 1HG2 VAL 120 5.294 9.135 11.066 932 HG23 VAL 120 2HG2 VAL 120 5.417 9.726 9.389 933 H GLY 121 H GLY 121 10.239 9.200 12.808 934 HA2 GLY 121 1HA GLY 121 11.670 10.322 14.392 935 HA3 GLY 121 2HA GLY 121 11.039 11.855 13.823 936 H ASP 122 H ASP 122 8.566 11.861 14.496 937 HA ASP 122 HA ASP 122 8.200 11.505 17.464 938 HB2 ASP 122 1HB ASP 122 8.332 13.804 18.135 939 HB3 ASP 122 2HB ASP 122 9.836 13.362 17.365 940 H VAL 123 H VAL 123 6.426 10.357 16.112 941 HA VAL 123 HA VAL 123 3.969 12.076 16.611 942 HB VAL 123 HB VAL 123 4.244 10.392 14.025 943 HG11 VAL 123 1HG1 VAL 123 1.873 12.063 15.195 944 HG12 VAL 123 2HG1 VAL 123 1.942 11.546 13.532 945 HG13 VAL 123 3HG1 VAL 123 1.857 10.329 14.814 946 HG21 VAL 123 3HG2 VAL 123 4.084 13.456 14.417 947 HG22 VAL 123 1HG2 VAL 123 5.430 12.518 13.708 948 HG23 VAL 123 2HG2 VAL 123 3.860 12.639 12.860 949 H THR 124 H THR 124 4.852 8.752 15.737 950 HA THR 124 HA THR 124 3.922 6.696 16.290 951 HB THR 124 HB THR 124 3.656 7.997 19.038 952 HG1 THR 124 HG1 THR 124 5.696 8.149 18.168 953 HG21 THR 124 3HG2 THR 124 3.956 5.801 20.047 954 HG22 THR 124 1HG2 THR 124 2.594 5.612 18.933 955 HG23 THR 124 2HG2 THR 124 4.217 5.025 18.487 956 H ALA 125 H ALA 125 2.175 6.806 14.858 957 HA ALA 125 HA ALA 125 -0.542 7.417 16.143 958 HB1 ALA 125 3HB ALA 125 -0.041 8.581 13.959 959 HB2 ALA 125 1HB ALA 125 -0.187 7.020 13.119 960 HB3 ALA 125 2HB ALA 125 -1.528 7.614 14.036 961 H ILE 126 H ILE 126 -1.117 5.684 17.188 962 HA ILE 126 HA ILE 126 -0.496 2.976 16.508 963 HB ILE 126 HB ILE 126 -0.685 3.963 18.733 964 HG12 ILE 126 1HG1 ILE 126 -1.807 1.962 19.893 965 HG13 ILE 126 2HG1 ILE 126 -2.223 1.336 18.302 966 HG21 ILE 126 1HG2 ILE 126 -2.772 5.219 18.728 967 HG22 ILE 126 2HG2 ILE 126 -3.757 3.745 18.566 968 HG23 ILE 126 3HG2 ILE 126 -2.787 4.035 20.024 969 HD11 ILE 126 3HD1 ILE 126 0.669 2.113 19.156 970 HD12 ILE 126 1HD1 ILE 126 0.011 0.476 19.301 971 HD13 ILE 126 2HD1 ILE 126 0.191 1.211 17.696 972 H ARG 127 H ARG 127 -1.203 2.804 14.346 973 HA ARG 127 HA ARG 127 -3.970 3.198 13.572 974 HB2 ARG 127 1HB ARG 127 -1.907 1.510 12.041 975 HB3 ARG 127 2HB ARG 127 -3.473 2.001 11.430 976 HG2 ARG 127 1HG ARG 127 -2.919 4.163 10.992 977 HG3 ARG 127 2HG ARG 127 -1.746 4.287 12.293 978 HD2 ARG 127 1HD ARG 127 -0.623 4.437 10.213 979 HD3 ARG 127 2HD ARG 127 -0.056 3.021 11.110 980 HE ARG 127 HE ARG 127 -2.060 2.252 9.055 981 HH11 ARG 127 1HH1 ARG 127 1.241 3.341 9.294 982 HH12 ARG 127 2HH1 ARG 127 1.715 2.558 7.709 983 HH21 ARG 127 1HH2 ARG 127 -1.497 1.323 7.334 984 HH22 ARG 127 2HH2 ARG 127 0.217 1.433 6.679 985 H ASN 128 H ASN 128 -5.648 1.980 14.068 986 HA ASN 128 HA ASN 128 -5.322 -1.035 14.501 987 HB2 ASN 128 1HB ASN 128 -7.019 1.171 15.745 988 HB3 ASN 128 2HB ASN 128 -7.811 -0.357 15.573 989 HD21 ASN 128 1HD2 ASN 128 -5.181 1.320 17.161 990 HD22 ASN 128 2HD2 ASN 128 -4.961 -0.011 18.419 991 H TYR 129 H TYR 129 -6.170 -2.335 13.105 992 HA TYR 129 HA TYR 129 -8.275 -1.427 11.069 993 HB2 TYR 129 1HB TYR 129 -5.739 -3.180 10.739 994 HB3 TYR 129 2HB TYR 129 -6.962 -3.051 9.519 995 HD1 TYR 129 HD1 TYR 129 -4.240 -1.099 11.248 996 HD2 TYR 129 HD2 TYR 129 -6.878 -1.372 7.868 997 HE1 TYR 129 HE1 TYR 129 -2.825 0.455 9.974 998 HE2 TYR 129 HE2 TYR 129 -5.484 0.172 6.635 999 HH TYR 129 HH TYR 129 -3.821 1.584 6.747 1000 H LYS 130 H LYS 130 -9.804 -2.933 10.484 1001 HA LYS 130 HA LYS 130 -10.179 -5.145 12.527 1002 HB2 LYS 130 1HB LYS 130 -12.024 -3.302 11.317 1003 HB3 LYS 130 2HB LYS 130 -12.368 -4.788 10.508 1004 HG2 LYS 130 1HG LYS 130 -13.820 -4.910 12.249 1005 HG3 LYS 130 2HG LYS 130 -12.554 -5.916 12.903 1006 HD2 LYS 130 1HD LYS 130 -12.620 -2.877 13.500 1007 HD3 LYS 130 2HD LYS 130 -13.799 -3.891 14.261 1008 HE2 LYS 130 1HE LYS 130 -10.761 -4.456 14.544 1009 HE3 LYS 130 2HE LYS 130 -11.617 -3.305 15.557 1010 HZ1 LYS 130 3HZ LYS 130 -13.188 -5.204 16.220 1011 HZ2 LYS 130 1HZ LYS 130 -12.316 -6.289 15.340 1012 HZ3 LYS 130 2HZ LYS 130 -11.637 -5.593 16.618 1013 H ARG 131 H ARG 131 -9.610 -7.139 12.084 1014 HA ARG 131 HA ARG 131 -8.618 -7.951 9.399 1015 HB2 ARG 131 1HB ARG 131 -8.917 -9.468 12.066 1016 HB3 ARG 131 2HB ARG 131 -8.391 -10.294 10.615 1017 HG2 ARG 131 1HG ARG 131 -6.428 -8.798 10.331 1018 HG3 ARG 131 2HG ARG 131 -6.950 -7.808 11.689 1019 HD2 ARG 131 1HD ARG 131 -5.223 -9.203 12.528 1020 HD3 ARG 131 2HD ARG 131 -6.724 -9.760 13.260 1021 HE ARG 131 HE ARG 131 -5.759 -11.255 10.779 1022 HH11 ARG 131 1HH1 ARG 131 -6.074 -11.362 14.304 1023 HH12 ARG 131 2HH1 ARG 131 -5.421 -13.056 14.305 1024 HH21 ARG 131 1HH2 ARG 131 -5.032 -13.235 10.920 1025 HH22 ARG 131 2HH2 ARG 131 -4.922 -14.017 12.542 1026 H LEU 132 H LEU 132 -9.854 -8.510 7.811 1027 HA LEU 132 HA LEU 132 -12.404 -10.121 8.269 1028 HB2 LEU 132 1HB LEU 132 -11.700 -8.130 6.047 1029 HB3 LEU 132 2HB LEU 132 -13.241 -8.992 6.210 1030 HG LEU 132 HG LEU 132 -12.063 -6.815 8.011 1031 HD11 LEU 132 1HD1 LEU 132 -13.028 -6.069 5.814 1032 HD12 LEU 132 2HD1 LEU 132 -14.571 -6.880 6.192 1033 HD13 LEU 132 3HD1 LEU 132 -14.031 -5.489 7.161 1034 HD21 LEU 132 3HD2 LEU 132 -13.329 -8.291 9.537 1035 HD22 LEU 132 1HD2 LEU 132 -14.270 -6.824 9.265 1036 HD23 LEU 132 2HD2 LEU 132 -14.734 -8.331 8.440 1037 H SER 133 H SER 133 -12.748 -11.880 7.146 1038 HA SER 133 HA SER 133 -10.644 -12.956 5.198 1039 HB2 SER 133 1HB SER 133 -11.595 -15.169 5.633 1040 HB3 SER 133 2HB SER 133 -11.182 -14.371 7.152 1041 HG SER 133 HG SER 133 -13.250 -15.358 7.215 1042 HXT SER 133 HXT SER 133 -13.306 -13.708 4.162 Start of MODEL 7 1 H1 MET 1 1H MET 1 5.904 -16.363 8.751 2 H2 MET 1 2H MET 1 3.762 -17.264 8.504 3 HA MET 1 HA MET 1 3.780 -14.763 8.314 4 HB2 MET 1 1HB MET 1 3.709 -15.282 5.284 5 HB3 MET 1 2HB MET 1 3.706 -13.750 6.146 6 HG2 MET 1 1HG MET 1 5.921 -13.871 5.318 7 HG3 MET 1 2HG MET 1 6.163 -14.494 6.965 8 HE1 MET 1 1HE MET 1 8.447 -17.149 5.375 9 HE2 MET 1 2HE MET 1 8.415 -15.424 5.849 10 HE3 MET 1 3HE MET 1 7.849 -16.688 6.996 11 H SER 2 H SER 2 2.205 -17.524 7.207 12 HA SER 2 HA SER 2 -0.184 -16.353 6.046 13 HB2 SER 2 1HB SER 2 -1.071 -18.639 5.932 14 HB3 SER 2 2HB SER 2 0.623 -18.585 5.441 15 HG SER 2 HG SER 2 0.172 -20.327 6.869 16 H SER 3 H SER 3 0.355 -16.866 9.414 17 HA SER 3 HA SER 3 -2.291 -17.264 10.464 18 HB2 SER 3 1HB SER 3 -0.181 -17.278 11.798 19 HB3 SER 3 2HB SER 3 -0.054 -15.519 11.677 20 HG SER 3 HG SER 3 -2.180 -15.458 12.710 21 H PHE 4 H PHE 4 -0.915 -14.157 9.481 22 HA PHE 4 HA PHE 4 -3.723 -12.964 9.549 23 HB2 PHE 4 1HB PHE 4 -2.979 -10.769 9.778 24 HB3 PHE 4 2HB PHE 4 -2.601 -11.790 11.153 25 HD1 PHE 4 HD1 PHE 4 0.243 -12.428 9.040 26 HD2 PHE 4 HD2 PHE 4 -1.637 -9.338 11.416 27 HE1 PHE 4 HE1 PHE 4 2.390 -11.415 9.441 28 HE2 PHE 4 HE2 PHE 4 0.553 -8.324 11.801 29 HZ PHE 4 HZ PHE 4 2.584 -9.355 10.843 30 H LEU 5 H LEU 5 -3.488 -14.408 7.415 31 HA LEU 5 HA LEU 5 -3.270 -12.462 5.092 32 HB2 LEU 5 1HB LEU 5 -4.349 -15.330 5.350 33 HB3 LEU 5 2HB LEU 5 -4.336 -14.416 3.856 34 HG LEU 5 HG LEU 5 -1.781 -14.957 5.469 35 HD11 LEU 5 1HD1 LEU 5 -2.973 -16.583 3.108 36 HD12 LEU 5 2HD1 LEU 5 -1.366 -16.845 3.819 37 HD13 LEU 5 3HD1 LEU 5 -2.819 -17.141 4.790 38 HD21 LEU 5 3HD2 LEU 5 -0.591 -14.504 3.325 39 HD22 LEU 5 1HD2 LEU 5 -2.129 -14.164 2.514 40 HD23 LEU 5 2HD2 LEU 5 -1.541 -13.091 3.791 41 H GLY 6 H GLY 6 -4.987 -11.317 4.300 42 HA2 GLY 6 1HA GLY 6 -7.703 -11.728 4.206 43 HA3 GLY 6 2HA GLY 6 -7.563 -11.201 5.891 44 H LYS 7 H LYS 7 -9.157 -9.891 4.371 45 HA LYS 7 HA LYS 7 -7.856 -7.241 3.774 46 HB2 LYS 7 1HB LYS 7 -10.037 -6.312 3.227 47 HB3 LYS 7 2HB LYS 7 -9.410 -7.467 2.121 48 HG2 LYS 7 1HG LYS 7 -11.553 -8.263 4.173 49 HG3 LYS 7 2HG LYS 7 -11.935 -7.424 2.674 50 HD2 LYS 7 1HD LYS 7 -10.702 -9.290 1.381 51 HD3 LYS 7 2HD LYS 7 -10.571 -10.195 2.872 52 HE2 LYS 7 1HE LYS 7 -13.188 -9.354 1.443 53 HE3 LYS 7 2HE LYS 7 -12.447 -10.951 1.439 54 HZ1 LYS 7 3HZ LYS 7 -14.002 -9.695 3.615 55 HZ2 LYS 7 1HZ LYS 7 -13.823 -11.306 3.312 56 HZ3 LYS 7 2HZ LYS 7 -12.674 -10.499 4.143 57 H TRP 8 H TRP 8 -7.522 -5.848 5.280 58 HA TRP 8 HA TRP 8 -9.349 -5.792 7.663 59 HB2 TRP 8 1HB TRP 8 -7.532 -5.296 9.237 60 HB3 TRP 8 2HB TRP 8 -7.534 -6.916 8.617 61 HD1 TRP 8 HD1 TRP 8 -5.320 -3.642 8.234 62 HE1 TRP 8 HE1 TRP 8 -2.826 -4.329 7.899 63 HE3 TRP 8 HE3 TRP 8 -6.171 -8.662 7.577 64 HZ2 TRP 8 HZ2 TRP 8 -1.526 -6.800 7.457 65 HZ3 TRP 8 HZ3 TRP 8 -4.215 -10.147 7.239 66 HH2 TRP 8 HH2 TRP 8 -1.934 -9.237 7.204 67 H LYS 9 H LYS 9 -10.132 -3.819 8.039 68 HA LYS 9 HA LYS 9 -8.929 -1.508 6.493 69 HB2 LYS 9 1HB LYS 9 -10.846 -0.790 5.511 70 HB3 LYS 9 2HB LYS 9 -10.730 -2.495 5.166 71 HG2 LYS 9 1HG LYS 9 -12.520 -2.910 7.015 72 HG3 LYS 9 2HG LYS 9 -12.648 -1.152 7.168 73 HD2 LYS 9 1HD LYS 9 -13.011 -1.138 4.528 74 HD3 LYS 9 2HD LYS 9 -13.230 -2.883 4.665 75 HE2 LYS 9 1HE LYS 9 -15.149 -2.510 6.309 76 HE3 LYS 9 2HE LYS 9 -14.857 -0.763 6.254 77 HZ1 LYS 9 3HZ LYS 9 -15.596 -2.416 3.823 78 HZ2 LYS 9 1HZ LYS 9 -16.636 -1.405 4.605 79 HZ3 LYS 9 2HZ LYS 9 -15.330 -0.804 3.810 80 H LEU 10 H LEU 10 -9.118 0.429 7.414 81 HA LEU 10 HA LEU 10 -8.457 0.478 10.062 82 HB2 LEU 10 1HB LEU 10 -7.990 2.188 8.258 83 HB3 LEU 10 2HB LEU 10 -9.581 2.888 8.555 84 HG LEU 10 HG LEU 10 -8.807 3.251 11.024 85 HD11 LEU 10 1HD1 LEU 10 -6.352 3.393 11.410 86 HD12 LEU 10 2HD1 LEU 10 -6.768 1.727 10.999 87 HD13 LEU 10 3HD1 LEU 10 -6.008 2.766 9.779 88 HD21 LEU 10 3HD2 LEU 10 -8.978 5.117 9.359 89 HD22 LEU 10 1HD2 LEU 10 -7.535 5.342 10.362 90 HD23 LEU 10 2HD2 LEU 10 -7.370 4.731 8.706 91 H SER 11 H SER 11 -9.340 0.497 11.961 92 HA SER 11 HA SER 11 -12.331 0.620 12.329 93 HB2 SER 11 1HB SER 11 -11.100 -1.413 13.115 94 HB3 SER 11 2HB SER 11 -10.182 -0.436 14.262 95 HG SER 11 HG SER 11 -12.289 0.231 15.120 96 H GLU 12 H GLU 12 -9.328 2.078 13.573 97 HA GLU 12 HA GLU 12 -10.872 4.500 14.441 98 HB2 GLU 12 1HB GLU 12 -9.654 4.769 16.606 99 HB3 GLU 12 2HB GLU 12 -10.887 3.526 16.570 100 HG2 GLU 12 1HG GLU 12 -9.321 1.733 16.496 101 HG3 GLU 12 2HG GLU 12 -7.930 2.770 16.161 102 H SER 13 H SER 13 -9.974 6.185 13.647 103 HA SER 13 HA SER 13 -7.105 6.244 12.653 104 HB2 SER 13 1HB SER 13 -8.854 7.094 11.159 105 HB3 SER 13 2HB SER 13 -9.509 8.175 12.397 106 HG SER 13 HG SER 13 -7.614 9.379 12.329 107 H HIS 14 H HIS 14 -6.169 6.097 14.778 108 HA HIS 14 HA HIS 14 -7.064 7.906 16.883 109 HB2 HIS 14 1HB HIS 14 -6.290 5.449 17.004 110 HB3 HIS 14 2HB HIS 14 -4.645 6.036 17.065 111 HD1 HIS 14 HD1 HIS 14 -7.362 4.905 19.205 112 HD2 HIS 14 HD2 HIS 14 -4.538 8.201 19.406 113 HE1 HIS 14 HE1 HIS 14 -7.103 5.735 21.633 114 HE2 HIS 14 HE2 HIS 14 -5.450 7.720 21.867 115 H ASN 15 H ASN 15 -3.929 7.915 15.211 116 HA ASN 15 HA ASN 15 -4.426 10.775 15.073 117 HB2 ASN 15 1HB ASN 15 -2.770 10.673 17.074 118 HB3 ASN 15 2HB ASN 15 -1.535 10.129 15.953 119 HD21 ASN 15 1HD2 ASN 15 -3.938 12.720 16.289 120 HD22 ASN 15 2HD2 ASN 15 -2.953 13.894 15.330 121 H PHE 16 H PHE 16 -4.910 8.966 13.262 122 HA PHE 16 HA PHE 16 -2.714 8.968 11.198 123 HB2 PHE 16 1HB PHE 16 -4.074 6.946 11.745 124 HB3 PHE 16 2HB PHE 16 -5.528 7.743 11.194 125 HD1 PHE 16 HD1 PHE 16 -2.034 7.015 9.946 126 HD2 PHE 16 HD2 PHE 16 -6.224 7.135 9.015 127 HE1 PHE 16 HE1 PHE 16 -1.577 6.047 7.680 128 HE2 PHE 16 HE2 PHE 16 -5.788 6.102 6.837 129 HZ PHE 16 HZ PHE 16 -3.505 5.533 6.146 130 H ASP 17 H ASP 17 -2.954 11.363 11.507 131 HA ASP 17 HA ASP 17 -4.510 12.664 9.284 132 HB2 ASP 17 1HB ASP 17 -5.339 14.353 10.994 133 HB3 ASP 17 2HB ASP 17 -6.057 12.758 11.034 134 H ALA 18 H ALA 18 -2.470 13.672 12.003 135 HA ALA 18 HA ALA 18 -0.944 15.637 10.288 136 HB1 ALA 18 3HB ALA 18 -1.515 16.041 12.788 137 HB2 ALA 18 1HB ALA 18 -0.336 14.757 13.184 138 HB3 ALA 18 2HB ALA 18 0.203 16.248 12.387 139 H VAL 19 H VAL 19 -0.494 12.395 11.326 140 HA VAL 19 HA VAL 19 2.336 11.947 10.881 141 HB VAL 19 HB VAL 19 0.591 10.401 11.907 142 HG11 VAL 19 1HG1 VAL 19 -0.537 8.727 10.644 143 HG12 VAL 19 2HG1 VAL 19 -1.082 10.338 10.105 144 HG13 VAL 19 3HG1 VAL 19 0.018 9.370 9.083 145 HG21 VAL 19 3HG2 VAL 19 2.936 9.747 11.579 146 HG22 VAL 19 1HG2 VAL 19 1.874 8.377 11.319 147 HG23 VAL 19 2HG2 VAL 19 2.597 9.192 9.914 148 H MET 20 H MET 20 -0.257 12.150 8.606 149 HA MET 20 HA MET 20 1.449 11.562 6.205 150 HB2 MET 20 1HB MET 20 -1.515 12.383 6.515 151 HB3 MET 20 2HB MET 20 -0.745 12.272 4.946 152 HG2 MET 20 1HG MET 20 -1.051 9.920 6.914 153 HG3 MET 20 2HG MET 20 -2.021 10.218 5.465 154 HE1 MET 20 3HE MET 20 -0.047 7.596 6.360 155 HE2 MET 20 1HE MET 20 -1.286 7.597 5.068 156 HE3 MET 20 2HE MET 20 0.393 7.102 4.700 157 H SER 21 H SER 21 -0.213 14.438 7.609 158 HA SER 21 HA SER 21 0.889 16.267 5.604 159 HB2 SER 21 1HB SER 21 -1.111 16.776 7.178 160 HB3 SER 21 2HB SER 21 0.027 16.985 8.505 161 HG SER 21 HG SER 21 1.072 18.595 7.029 162 H LYS 22 H LYS 22 2.260 15.319 8.763 163 HA LYS 22 HA LYS 22 4.640 17.055 8.410 164 HB2 LYS 22 1HB LYS 22 5.067 16.658 10.524 165 HB3 LYS 22 2HB LYS 22 3.484 15.959 10.592 166 HG2 LYS 22 1HG LYS 22 4.527 14.271 11.602 167 HG3 LYS 22 2HG LYS 22 4.722 13.652 9.988 168 HD2 LYS 22 1HD LYS 22 6.944 13.522 10.389 169 HD3 LYS 22 2HD LYS 22 7.049 15.251 10.203 170 HE2 LYS 22 1HE LYS 22 6.754 13.653 12.843 171 HE3 LYS 22 2HE LYS 22 8.200 14.396 12.252 172 HZ1 LYS 22 3HZ LYS 22 5.774 15.934 13.183 173 HZ2 LYS 22 1HZ LYS 22 7.192 15.705 14.021 174 HZ3 LYS 22 2HZ LYS 22 7.177 16.636 12.641 175 H LEU 23 H LEU 23 3.898 13.889 7.253 176 HA LEU 23 HA LEU 23 6.597 13.332 6.077 177 HB2 LEU 23 1HB LEU 23 4.682 11.582 6.461 178 HB3 LEU 23 2HB LEU 23 3.875 12.319 5.099 179 HG LEU 23 HG LEU 23 6.255 11.959 3.867 180 HD11 LEU 23 1HD1 LEU 23 6.341 9.581 5.842 181 HD12 LEU 23 2HD1 LEU 23 7.558 10.100 4.643 182 HD13 LEU 23 3HD1 LEU 23 7.294 11.048 6.107 183 HD21 LEU 23 3HD2 LEU 23 5.429 9.748 3.032 184 HD22 LEU 23 1HD2 LEU 23 4.279 9.628 4.377 185 HD23 LEU 23 2HD2 LEU 23 4.092 10.902 3.147 186 H GLY 24 H GLY 24 3.567 14.840 4.972 187 HA2 GLY 24 1HA GLY 24 3.924 17.113 3.827 188 HA3 GLY 24 2HA GLY 24 5.134 16.369 2.800 189 H VAL 25 H VAL 25 1.770 15.700 3.686 190 HA VAL 25 HA VAL 25 1.215 14.739 0.921 191 HB VAL 25 HB VAL 25 -0.135 14.266 3.633 192 HG11 VAL 25 1HG1 VAL 25 -1.381 12.380 2.547 193 HG12 VAL 25 2HG1 VAL 25 -1.870 13.909 1.809 194 HG13 VAL 25 3HG1 VAL 25 -0.751 12.843 0.946 195 HG21 VAL 25 3HG2 VAL 25 0.895 11.935 3.337 196 HG22 VAL 25 1HG2 VAL 25 1.644 12.463 1.807 197 HG23 VAL 25 2HG2 VAL 25 2.131 13.206 3.349 198 H SER 26 H SER 26 -0.311 15.335 -0.389 199 HA SER 26 HA SER 26 -1.489 17.895 -0.483 200 HB2 SER 26 1HB SER 26 -3.133 16.822 -2.216 201 HB3 SER 26 2HB SER 26 -1.408 16.847 -2.510 202 HG SER 26 HG SER 26 -1.179 14.737 -1.996 203 H TRP 27 H TRP 27 -3.174 18.889 0.353 204 HA TRP 27 HA TRP 27 -4.949 17.637 2.334 205 HB2 TRP 27 1HB TRP 27 -4.688 20.475 1.176 206 HB3 TRP 27 2HB TRP 27 -5.940 20.087 2.336 207 HD1 TRP 27 HD1 TRP 27 -1.958 20.232 2.237 208 HE1 TRP 27 HE1 TRP 27 -0.976 20.159 4.675 209 HE3 TRP 27 HE3 TRP 27 -6.402 19.410 4.667 210 HZ2 TRP 27 HZ2 TRP 27 -2.132 19.822 7.254 211 HZ3 TRP 27 HZ3 TRP 27 -6.381 19.092 7.087 212 HH2 TRP 27 HH2 TRP 27 -4.290 19.371 8.404 213 H ALA 28 H ALA 28 -5.380 16.612 -0.209 214 HA ALA 28 HA ALA 28 -8.369 16.356 0.158 215 HB1 ALA 28 3HB ALA 28 -8.124 17.303 -2.147 216 HB2 ALA 28 1HB ALA 28 -7.033 15.975 -2.610 217 HB3 ALA 28 2HB ALA 28 -8.733 15.638 -2.214 218 H THR 29 H THR 29 -5.359 14.725 -0.865 219 HA THR 29 HA THR 29 -6.342 11.983 -0.315 220 HB THR 29 HB THR 29 -4.012 11.245 -0.544 221 HG1 THR 29 HG1 THR 29 -3.015 13.773 -1.172 222 HG21 THR 29 3HG2 THR 29 -4.585 13.344 -2.725 223 HG22 THR 29 1HG2 THR 29 -3.473 11.973 -2.833 224 HG23 THR 29 2HG2 THR 29 -5.224 11.688 -2.674 225 H ARG 30 H ARG 30 -4.743 14.356 1.635 226 HA ARG 30 HA ARG 30 -4.112 12.649 3.938 227 HB2 ARG 30 1HB ARG 30 -3.270 15.061 3.260 228 HB3 ARG 30 2HB ARG 30 -4.736 15.677 3.957 229 HG2 ARG 30 1HG ARG 30 -3.121 13.787 5.735 230 HG3 ARG 30 2HG ARG 30 -2.251 15.178 5.148 231 HD2 ARG 30 1HD ARG 30 -3.057 15.785 7.247 232 HD3 ARG 30 2HD ARG 30 -4.022 16.729 6.094 233 HE ARG 30 HE ARG 30 -5.580 14.363 6.631 234 HH11 ARG 30 1HH1 ARG 30 -4.270 16.921 8.588 235 HH12 ARG 30 2HH1 ARG 30 -5.620 16.774 9.818 236 HH21 ARG 30 1HH2 ARG 30 -7.090 14.207 8.058 237 HH22 ARG 30 2HH2 ARG 30 -7.138 15.342 9.481 238 H GLN 31 H GLN 31 -7.086 13.559 2.710 239 HA GLN 31 HA GLN 31 -8.582 13.540 5.373 240 HB2 GLN 31 1HB GLN 31 -9.193 14.770 2.634 241 HB3 GLN 31 2HB GLN 31 -10.539 14.252 3.608 242 HG2 GLN 31 1HG GLN 31 -10.096 16.625 3.955 243 HG3 GLN 31 2HG GLN 31 -10.039 15.710 5.439 244 HE21 GLN 31 1HE2 GLN 31 -7.698 16.816 2.930 245 HE22 GLN 31 2HE2 GLN 31 -6.456 17.265 4.216 246 H ILE 32 H ILE 32 -8.254 11.718 2.361 247 HA ILE 32 HA ILE 32 -10.569 9.874 2.886 248 HB ILE 32 HB ILE 32 -8.463 10.143 0.751 249 HG12 ILE 32 1HG1 ILE 32 -10.447 9.571 -0.730 250 HG13 ILE 32 2HG1 ILE 32 -11.462 9.389 0.676 251 HG21 ILE 32 1HG2 ILE 32 -8.814 7.986 -0.287 252 HG22 ILE 32 2HG2 ILE 32 -8.101 7.711 1.301 253 HG23 ILE 32 3HG2 ILE 32 -9.832 7.398 1.040 254 HD11 ILE 32 3HD1 ILE 32 -11.653 11.611 -0.555 255 HD12 ILE 32 1HD1 ILE 32 -11.288 11.828 1.173 256 HD13 ILE 32 2HD1 ILE 32 -9.997 12.026 -0.029 257 H GLY 33 H GLY 33 -7.214 10.021 3.673 258 HA2 GLY 33 1HA GLY 33 -6.728 7.412 4.965 259 HA3 GLY 33 2HA GLY 33 -6.021 8.918 5.515 260 H ASN 34 H ASN 34 -7.939 10.385 6.588 261 HA ASN 34 HA ASN 34 -9.185 8.715 8.773 262 HB2 ASN 34 1HB ASN 34 -9.344 10.759 10.026 263 HB3 ASN 34 2HB ASN 34 -7.751 10.655 9.344 264 HD21 ASN 34 1HD2 ASN 34 -10.823 12.316 9.026 265 HD22 ASN 34 2HD2 ASN 34 -10.106 13.757 8.151 266 H THR 35 H THR 35 -10.447 8.519 6.206 267 HA THR 35 HA THR 35 -13.286 9.261 6.977 268 HB THR 35 HB THR 35 -12.025 10.132 4.329 269 HG1 THR 35 HG1 THR 35 -11.381 11.597 5.638 270 HG21 THR 35 3HG2 THR 35 -14.852 10.741 5.394 271 HG22 THR 35 1HG2 THR 35 -14.118 11.380 3.904 272 HG23 THR 35 2HG2 THR 35 -14.487 9.649 4.033 273 H VAL 36 H VAL 36 -11.446 7.841 4.191 274 HA VAL 36 HA VAL 36 -13.645 5.760 4.063 275 HB VAL 36 HB VAL 36 -11.689 6.479 1.812 276 HG11 VAL 36 1HG1 VAL 36 -13.297 5.141 0.425 277 HG12 VAL 36 2HG1 VAL 36 -12.816 4.144 1.802 278 HG13 VAL 36 3HG1 VAL 36 -14.402 4.944 1.797 279 HG21 VAL 36 3HG2 VAL 36 -13.879 7.572 0.773 280 HG22 VAL 36 1HG2 VAL 36 -14.420 7.704 2.485 281 HG23 VAL 36 2HG2 VAL 36 -12.946 8.480 1.981 282 H THR 37 H THR 37 -12.953 4.308 5.377 283 HA THR 37 HA THR 37 -10.640 3.729 6.507 284 HB THR 37 HB THR 37 -11.476 1.585 7.225 285 HG1 THR 37 HG1 THR 37 -12.150 1.190 4.883 286 HG21 THR 37 3HG2 THR 37 -13.426 2.253 8.285 287 HG22 THR 37 1HG2 THR 37 -12.939 3.861 7.662 288 HG23 THR 37 2HG2 THR 37 -14.160 2.917 6.810 289 HA PRO 38 HA PRO 38 -8.054 2.242 2.962 290 HB2 PRO 38 1HB PRO 38 -5.663 1.658 4.460 291 HB3 PRO 38 2HB PRO 38 -6.114 3.092 3.523 292 HG2 PRO 38 1HG PRO 38 -6.475 2.609 6.518 293 HG3 PRO 38 2HG PRO 38 -5.975 4.101 5.695 294 HD2 PRO 38 1HD PRO 38 -8.514 3.860 6.611 295 HD3 PRO 38 2HD PRO 38 -8.275 4.578 4.997 296 H THR 39 H THR 39 -8.912 0.462 2.209 297 HA THR 39 HA THR 39 -9.144 -2.032 3.657 298 HB THR 39 HB THR 39 -9.536 -1.557 0.663 299 HG1 THR 39 HG1 THR 39 -11.083 -0.364 0.999 300 HG21 THR 39 3HG2 THR 39 -11.056 -3.433 2.596 301 HG22 THR 39 1HG2 THR 39 -11.478 -3.128 0.893 302 HG23 THR 39 2HG2 THR 39 -9.944 -3.925 1.283 303 H VAL 40 H VAL 40 -6.762 -2.100 4.010 304 HA VAL 40 HA VAL 40 -5.002 -2.895 1.815 305 HB VAL 40 HB VAL 40 -3.185 -3.167 3.446 306 HG11 VAL 40 1HG1 VAL 40 -3.636 -0.995 2.282 307 HG12 VAL 40 2HG1 VAL 40 -4.714 -0.485 3.601 308 HG13 VAL 40 3HG1 VAL 40 -2.976 -0.729 3.907 309 HG21 VAL 40 3HG2 VAL 40 -5.170 -2.185 5.606 310 HG22 VAL 40 1HG2 VAL 40 -4.399 -3.775 5.541 311 HG23 VAL 40 2HG2 VAL 40 -3.404 -2.327 5.774 312 H THR 41 H THR 41 -5.512 -4.636 0.911 313 HA THR 41 HA THR 41 -6.518 -7.027 2.365 314 HB THR 41 HB THR 41 -6.592 -6.233 -0.544 315 HG1 THR 41 HG1 THR 41 -7.770 -4.865 0.747 316 HG21 THR 41 3HG2 THR 41 -8.078 -8.547 0.814 317 HG22 THR 41 1HG2 THR 41 -8.564 -7.771 -0.716 318 HG23 THR 41 2HG2 THR 41 -7.007 -8.603 -0.595 319 H PHE 42 H PHE 42 -4.927 -8.140 3.199 320 HA PHE 42 HA PHE 42 -2.362 -8.530 1.631 321 HB2 PHE 42 1HB PHE 42 -2.366 -7.600 3.995 322 HB3 PHE 42 2HB PHE 42 -3.051 -9.104 4.576 323 HD1 PHE 42 HD1 PHE 42 -0.008 -7.806 2.651 324 HD2 PHE 42 HD2 PHE 42 -1.633 -10.914 5.093 325 HE1 PHE 42 HE1 PHE 42 2.231 -8.803 2.888 326 HE2 PHE 42 HE2 PHE 42 0.624 -11.861 5.429 327 HZ PHE 42 HZ PHE 42 2.571 -10.763 4.371 328 H THR 43 H THR 43 -2.569 -10.101 0.303 329 HA THR 43 HA THR 43 -3.455 -12.865 1.253 330 HB THR 43 HB THR 43 -4.687 -13.130 -0.845 331 HG1 THR 43 HG1 THR 43 -3.661 -10.560 -1.453 332 HG21 THR 43 3HG2 THR 43 -5.546 -10.301 -0.006 333 HG22 THR 43 1HG2 THR 43 -6.555 -11.676 -0.510 334 HG23 THR 43 2HG2 THR 43 -5.775 -11.642 1.108 335 H MET 44 H MET 44 -2.336 -14.607 0.469 336 HA MET 44 HA MET 44 0.194 -14.187 -1.064 337 HB2 MET 44 1HB MET 44 0.650 -16.530 -0.857 338 HB3 MET 44 2HB MET 44 0.332 -15.736 0.668 339 HG2 MET 44 1HG MET 44 -1.985 -16.822 0.742 340 HG3 MET 44 2HG MET 44 -1.613 -17.655 -0.778 341 HE1 MET 44 3HE MET 44 -2.371 -19.068 2.054 342 HE2 MET 44 1HE MET 44 -2.103 -19.949 0.520 343 HE3 MET 44 2HE MET 44 -1.241 -20.452 2.002 344 H ASP 45 H ASP 45 -0.050 -13.592 -3.107 345 HA ASP 45 HA ASP 45 -2.441 -14.593 -4.707 346 HB2 ASP 45 1HB ASP 45 -2.112 -12.159 -4.080 347 HB3 ASP 45 2HB ASP 45 -0.690 -12.094 -5.115 348 H GLY 46 H GLY 46 -1.551 -16.474 -5.322 349 HA2 GLY 46 1HA GLY 46 -0.617 -17.860 -7.177 350 HA3 GLY 46 2HA GLY 46 0.416 -16.528 -7.661 351 H ASP 47 H ASP 47 1.967 -15.876 -5.859 352 HA ASP 47 HA ASP 47 2.961 -18.165 -4.158 353 HB2 ASP 47 1HB ASP 47 4.448 -18.136 -6.152 354 HB3 ASP 47 2HB ASP 47 4.805 -16.428 -5.933 355 H LYS 48 H LYS 48 3.638 -14.734 -4.828 356 HA LYS 48 HA LYS 48 4.323 -14.439 -1.946 357 HB2 LYS 48 1HB LYS 48 5.778 -12.775 -2.506 358 HB3 LYS 48 2HB LYS 48 5.917 -14.055 -3.686 359 HG2 LYS 48 1HG LYS 48 4.571 -12.565 -5.331 360 HG3 LYS 48 2HG LYS 48 4.600 -11.297 -4.094 361 HD2 LYS 48 1HD LYS 48 7.136 -11.390 -4.056 362 HD3 LYS 48 2HD LYS 48 7.135 -12.631 -5.289 363 HE2 LYS 48 1HE LYS 48 5.975 -9.777 -5.660 364 HE3 LYS 48 2HE LYS 48 7.625 -10.247 -6.054 365 HZ1 LYS 48 2HZ LYS 48 6.093 -10.332 -7.981 366 HZ3 LYS 48 1HZ LYS 48 5.224 -11.528 -7.275 367 H MET 49 H MET 49 4.101 -12.007 -1.120 368 HA MET 49 HA MET 49 1.216 -12.400 -0.304 369 HB2 MET 49 1HB MET 49 1.795 -11.771 1.925 370 HB3 MET 49 2HB MET 49 2.719 -13.133 1.353 371 HG2 MET 49 1HG MET 49 4.731 -11.499 0.962 372 HG3 MET 49 2HG MET 49 3.779 -10.273 1.794 373 HE1 MET 49 3HE MET 49 4.843 -9.851 4.050 374 HE2 MET 49 1HE MET 49 5.880 -11.051 4.875 375 HE3 MET 49 2HE MET 49 6.259 -10.531 3.205 376 H THR 50 H THR 50 -0.125 -10.869 -0.954 377 HA THR 50 HA THR 50 1.108 -8.312 -2.129 378 HB THR 50 HB THR 50 -1.137 -10.201 -3.104 379 HG1 THR 50 HG1 THR 50 0.985 -11.025 -3.299 380 HG21 THR 50 3HG2 THR 50 -1.516 -7.857 -3.953 381 HG22 THR 50 1HG2 THR 50 0.101 -7.854 -4.659 382 HG23 THR 50 2HG2 THR 50 -1.092 -9.032 -5.218 383 H MET 51 H MET 51 0.131 -6.457 -1.590 384 HA MET 51 HA MET 51 -2.356 -6.418 0.169 385 HB2 MET 51 1HB MET 51 -0.381 -4.191 -0.506 386 HB3 MET 51 2HB MET 51 -1.917 -3.887 0.268 387 HG2 MET 51 1HG MET 51 -1.293 -5.039 2.307 388 HG3 MET 51 2HG MET 51 0.047 -5.878 1.517 389 HE1 MET 51 3HE MET 51 0.129 -1.464 2.912 390 HE2 MET 51 1HE MET 51 -1.281 -2.123 2.035 391 HE3 MET 51 2HE MET 51 -0.841 -2.771 3.647 392 H LEU 52 H LEU 52 -4.001 -6.754 -1.199 393 HA LEU 52 HA LEU 52 -4.305 -5.238 -3.770 394 HB2 LEU 52 1HB LEU 52 -6.381 -7.073 -2.452 395 HB3 LEU 52 2HB LEU 52 -6.353 -6.539 -4.103 396 HG LEU 52 HG LEU 52 -4.126 -8.289 -2.855 397 HD11 LEU 52 1HD1 LEU 52 -5.147 -10.243 -3.812 398 HD12 LEU 52 2HD1 LEU 52 -6.332 -9.489 -2.735 399 HD13 LEU 52 3HD1 LEU 52 -6.518 -9.319 -4.499 400 HD21 LEU 52 3HD2 LEU 52 -4.845 -7.705 -5.811 401 HD22 LEU 52 1HD2 LEU 52 -3.411 -7.148 -4.905 402 HD23 LEU 52 2HD2 LEU 52 -3.624 -8.871 -5.253 403 H THR 53 H THR 53 -4.013 -3.321 -2.362 404 HA THR 53 HA THR 53 -5.846 -2.323 -0.452 405 HB THR 53 HB THR 53 -3.831 -0.893 -2.259 406 HG1 THR 53 HG1 THR 53 -2.511 -1.207 -0.523 407 HG21 THR 53 3HG2 THR 53 -5.172 0.087 0.351 408 HG22 THR 53 1HG2 THR 53 -3.686 0.797 -0.348 409 HG23 THR 53 2HG2 THR 53 -5.212 0.882 -1.243 410 H GLU 54 H GLU 54 -7.828 -1.703 -0.622 411 HA GLU 54 HA GLU 54 -8.912 -0.605 -3.245 412 HB2 GLU 54 1HB GLU 54 -9.194 -3.038 -2.528 413 HB3 GLU 54 2HB GLU 54 -10.171 -2.540 -1.168 414 HG2 GLU 54 1HG GLU 54 -10.853 -2.097 -4.135 415 HG3 GLU 54 2HG GLU 54 -11.358 -3.451 -3.144 416 H SER 55 H SER 55 -8.592 1.473 -2.562 417 HA SER 55 HA SER 55 -10.479 2.612 -0.407 418 HB2 SER 55 1HB SER 55 -7.619 3.562 -1.157 419 HB3 SER 55 2HB SER 55 -8.626 4.227 0.133 420 HG SER 55 HG SER 55 -7.877 1.501 -0.033 421 H THR 56 H THR 56 -10.965 5.007 -0.742 422 HA THR 56 HA THR 56 -11.844 5.599 -3.399 423 HB THR 56 HB THR 56 -11.493 7.436 -0.991 424 HG1 THR 56 HG1 THR 56 -13.842 6.607 -2.281 425 HG21 THR 56 3HG2 THR 56 -11.600 8.999 -2.967 426 HG22 THR 56 1HG2 THR 56 -12.994 8.119 -3.615 427 HG23 THR 56 2HG2 THR 56 -13.124 8.994 -2.069 428 H PHE 57 H PHE 57 -8.765 6.656 -2.002 429 HA PHE 57 HA PHE 57 -8.052 7.961 -4.661 430 HB2 PHE 57 1HB PHE 57 -7.066 8.426 -1.832 431 HB3 PHE 57 2HB PHE 57 -5.849 8.478 -3.038 432 HD1 PHE 57 HD1 PHE 57 -6.372 9.957 -5.281 433 HD2 PHE 57 HD2 PHE 57 -8.486 10.367 -1.556 434 HE1 PHE 57 HE1 PHE 57 -7.088 12.215 -5.930 435 HE2 PHE 57 HE2 PHE 57 -9.285 12.549 -2.259 436 HZ PHE 57 HZ PHE 57 -8.554 13.534 -4.426 437 H LYS 58 H LYS 58 -6.930 5.429 -2.481 438 HA LYS 58 HA LYS 58 -5.163 4.386 -4.789 439 HB2 LYS 58 1HB LYS 58 -4.699 3.904 -1.788 440 HB3 LYS 58 2HB LYS 58 -3.909 3.032 -3.091 441 HG2 LYS 58 1HG LYS 58 -3.170 5.404 -4.017 442 HG3 LYS 58 2HG LYS 58 -3.611 6.031 -2.441 443 HD2 LYS 58 1HD LYS 58 -1.563 3.777 -3.043 444 HD3 LYS 58 2HD LYS 58 -1.171 5.457 -2.734 445 HE2 LYS 58 1HE LYS 58 -2.119 5.293 -0.388 446 HE3 LYS 58 2HE LYS 58 -2.547 3.601 -0.685 447 HZ1 LYS 58 3HZ LYS 58 0.269 4.719 -0.685 448 HZ2 LYS 58 1HZ LYS 58 -0.299 3.523 0.293 449 HZ3 LYS 58 2HZ LYS 58 -0.027 3.236 -1.322 450 H ASN 59 H ASN 59 -7.291 3.643 -5.535 451 HA ASN 59 HA ASN 59 -7.899 0.846 -4.493 452 HB2 ASN 59 1HB ASN 59 -9.525 2.780 -5.663 453 HB3 ASN 59 2HB ASN 59 -9.141 1.851 -7.077 454 HD21 ASN 59 1HD2 ASN 59 -11.021 2.024 -4.324 455 HD22 ASN 59 2HD2 ASN 59 -11.757 0.339 -4.384 456 H LEU 60 H LEU 60 -5.886 -0.086 -4.791 457 HA LEU 60 HA LEU 60 -5.046 -0.930 -7.509 458 HB2 LEU 60 1HB LEU 60 -2.844 0.232 -7.559 459 HB3 LEU 60 2HB LEU 60 -4.212 1.307 -7.612 460 HG LEU 60 HG LEU 60 -3.838 1.451 -4.922 461 HD11 LEU 60 1HD1 LEU 60 -1.862 -0.142 -4.807 462 HD12 LEU 60 2HD1 LEU 60 -0.973 0.841 -5.979 463 HD13 LEU 60 3HD1 LEU 60 -1.354 1.491 -4.378 464 HD21 LEU 60 3HD2 LEU 60 -2.077 2.983 -6.970 465 HD22 LEU 60 1HD2 LEU 60 -3.758 3.391 -6.541 466 HD23 LEU 60 2HD2 LEU 60 -2.476 3.509 -5.319 467 H SER 61 H SER 61 -3.339 -2.468 -7.546 468 HA SER 61 HA SER 61 -2.893 -3.856 -4.885 469 HB2 SER 61 1HB SER 61 -2.252 -5.862 -6.160 470 HB3 SER 61 2HB SER 61 -3.884 -5.313 -6.573 471 HG SER 61 HG SER 61 -3.099 -4.535 -8.520 472 H VAL 62 H VAL 62 -0.917 -4.117 -3.980 473 HA VAL 62 HA VAL 62 1.571 -3.631 -5.656 474 HB VAL 62 HB VAL 62 2.723 -3.021 -3.602 475 HG11 VAL 62 1HG1 VAL 62 0.621 -1.018 -4.637 476 HG12 VAL 62 2HG1 VAL 62 2.131 -0.596 -3.798 477 HG13 VAL 62 3HG1 VAL 62 2.191 -1.372 -5.386 478 HG21 VAL 62 3HG2 VAL 62 1.442 -1.834 -1.777 479 HG22 VAL 62 1HG2 VAL 62 -0.070 -2.520 -2.426 480 HG23 VAL 62 2HG2 VAL 62 1.216 -3.599 -1.810 481 H THR 63 H THR 63 3.015 -5.222 -5.622 482 HA THR 63 HA THR 63 2.234 -7.820 -4.185 483 HB THR 63 HB THR 63 3.632 -7.693 -6.925 484 HG1 THR 63 HG1 THR 63 1.341 -6.819 -6.659 485 HG21 THR 63 3HG2 THR 63 3.112 -9.987 -7.186 486 HG22 THR 63 1HG2 THR 63 3.512 -9.937 -5.451 487 HG23 THR 63 2HG2 THR 63 1.824 -9.968 -5.989 488 H PHE 64 H PHE 64 3.807 -8.886 -3.173 489 HA PHE 64 HA PHE 64 6.699 -8.256 -3.396 490 HB2 PHE 64 1HB PHE 64 6.989 -7.074 -1.233 491 HB3 PHE 64 2HB PHE 64 6.042 -6.173 -2.369 492 HD1 PHE 64 HD1 PHE 64 5.916 -8.048 0.845 493 HD2 PHE 64 HD2 PHE 64 3.620 -5.698 -1.933 494 HE1 PHE 64 HE1 PHE 64 4.232 -7.621 2.587 495 HE2 PHE 64 HE2 PHE 64 1.899 -5.364 -0.238 496 HZ PHE 64 HZ PHE 64 2.218 -6.286 2.071 497 H LYS 65 H LYS 65 8.049 -9.530 -2.241 498 HA LYS 65 HA LYS 65 6.847 -11.681 -0.427 499 HB2 LYS 65 1HB LYS 65 8.802 -12.977 -0.744 500 HB3 LYS 65 2HB LYS 65 8.229 -12.456 -2.276 501 HG2 LYS 65 1HG LYS 65 10.042 -11.270 -2.836 502 HG3 LYS 65 2HG LYS 65 10.260 -10.509 -1.279 503 HD2 LYS 65 1HD LYS 65 11.590 -12.253 -0.383 504 HD3 LYS 65 2HD LYS 65 11.052 -13.448 -1.557 505 HE2 LYS 65 1HE LYS 65 13.352 -12.751 -2.046 506 HE3 LYS 65 2HE LYS 65 12.253 -12.441 -3.395 507 HZ1 LYS 65 3HZ LYS 65 13.798 -10.498 -2.994 508 HZ2 LYS 65 1HZ LYS 65 12.229 -10.008 -2.863 509 HZ3 LYS 65 2HZ LYS 65 13.147 -10.212 -1.506 510 H PHE 66 H PHE 66 8.502 -12.406 1.321 511 HA PHE 66 HA PHE 66 8.747 -10.267 3.404 512 HB2 PHE 66 1HB PHE 66 9.549 -12.231 4.793 513 HB3 PHE 66 2HB PHE 66 7.903 -12.220 4.256 514 HD1 PHE 66 HD1 PHE 66 11.248 -13.824 3.530 515 HD2 PHE 66 HD2 PHE 66 6.994 -14.054 2.937 516 HE1 PHE 66 HE1 PHE 66 11.498 -16.086 2.583 517 HE2 PHE 66 HE2 PHE 66 7.256 -16.298 1.966 518 HZ PHE 66 HZ PHE 66 9.503 -17.324 1.789 519 H GLY 67 H GLY 67 10.164 -9.303 1.633 520 HA2 GLY 67 1HA GLY 67 12.526 -8.313 2.624 521 HA3 GLY 67 2HA GLY 67 13.131 -9.875 2.093 522 H GLU 68 H GLU 68 10.943 -7.495 0.592 523 HA GLU 68 HA GLU 68 12.606 -7.431 -1.916 524 HB2 GLU 68 1HB GLU 68 10.078 -5.815 -1.250 525 HB3 GLU 68 2HB GLU 68 10.859 -5.920 -2.818 526 HG2 GLU 68 1HG GLU 68 9.482 -8.230 -1.337 527 HG3 GLU 68 2HG GLU 68 8.780 -7.196 -2.569 528 H GLU 69 H GLU 69 11.608 -5.044 0.464 529 HA GLU 69 HA GLU 69 11.583 -2.722 0.443 530 HB2 GLU 69 1HB GLU 69 14.105 -2.804 0.445 531 HB3 GLU 69 2HB GLU 69 14.076 -2.592 -1.302 532 HG2 GLU 69 1HG GLU 69 12.747 -0.436 -0.980 533 HG3 GLU 69 2HG GLU 69 12.813 -0.647 0.768 534 H PHE 70 H PHE 70 9.556 -3.174 -0.567 535 HA PHE 70 HA PHE 70 9.448 -3.503 -3.519 536 HB2 PHE 70 1HB PHE 70 7.285 -4.096 -3.473 537 HB3 PHE 70 2HB PHE 70 8.027 -4.849 -2.103 538 HD1 PHE 70 HD1 PHE 70 5.591 -2.200 -3.187 539 HD2 PHE 70 HD2 PHE 70 7.211 -4.346 0.152 540 HE1 PHE 70 HE1 PHE 70 3.746 -1.399 -1.786 541 HE2 PHE 70 HE2 PHE 70 5.300 -3.600 1.553 542 HZ PHE 70 HZ PHE 70 3.568 -2.114 0.583 543 H ASP 71 H ASP 71 8.916 -1.923 -5.043 544 HA ASP 71 HA ASP 71 8.603 0.879 -4.234 545 HB2 ASP 71 1HB ASP 71 8.354 -0.406 -6.971 546 HB3 ASP 71 2HB ASP 71 8.338 1.325 -6.702 547 H GLU 72 H GLU 72 6.889 2.210 -4.183 548 HA GLU 72 HA GLU 72 4.093 1.234 -4.964 549 HB2 GLU 72 1HB GLU 72 4.170 0.815 -2.638 550 HB3 GLU 72 2HB GLU 72 5.109 2.235 -2.258 551 HG2 GLU 72 1HG GLU 72 2.975 2.543 -1.351 552 HG3 GLU 72 2HG GLU 72 3.195 3.738 -2.607 553 H LYS 73 H LYS 73 2.761 2.948 -5.528 554 HA LYS 73 HA LYS 73 4.124 5.591 -6.232 555 HB2 LYS 73 1HB LYS 73 4.111 4.145 -8.300 556 HB3 LYS 73 2HB LYS 73 2.371 4.030 -8.244 557 HG2 LYS 73 1HG LYS 73 3.305 6.911 -8.145 558 HG3 LYS 73 2HG LYS 73 4.055 6.043 -9.454 559 HD2 LYS 73 1HD LYS 73 2.142 7.074 -10.355 560 HD3 LYS 73 2HD LYS 73 1.817 5.344 -10.360 561 HE2 LYS 73 1HE LYS 73 0.366 5.577 -8.297 562 HE3 LYS 73 2HE LYS 73 0.768 7.289 -8.164 563 HZ1 LYS 73 3HZ LYS 73 -1.381 6.959 -9.389 564 HZ2 LYS 73 1HZ LYS 73 -0.285 7.634 -10.412 565 HZ3 LYS 73 2HZ LYS 73 -0.642 6.038 -10.533 566 H THR 74 H THR 74 3.070 7.058 -5.150 567 HA THR 74 HA THR 74 0.516 6.329 -3.893 568 HB THR 74 HB THR 74 0.964 8.275 -2.418 569 HG1 THR 74 HG1 THR 74 3.401 8.629 -3.772 570 HG21 THR 74 3HG2 THR 74 3.167 7.511 -1.477 571 HG22 THR 74 1HG2 THR 74 2.146 6.107 -1.888 572 HG23 THR 74 2HG2 THR 74 3.492 6.561 -2.947 573 H SER 75 H SER 75 -1.427 7.458 -3.820 574 HA SER 75 HA SER 75 -2.400 8.961 -6.071 575 HB2 SER 75 1HB SER 75 -4.356 9.374 -4.619 576 HB3 SER 75 2HB SER 75 -3.849 7.696 -4.552 577 HG SER 75 HG SER 75 -3.293 9.743 -2.632 578 H ASP 76 H ASP 76 -0.884 10.207 -3.151 579 HA ASP 76 HA ASP 76 -1.271 13.062 -3.578 580 HB2 ASP 76 1HB ASP 76 -0.613 11.815 -1.483 581 HB3 ASP 76 2HB ASP 76 0.926 11.370 -2.228 582 H GLY 77 H GLY 77 0.696 10.764 -5.245 583 HA2 GLY 77 1HA GLY 77 1.684 11.194 -7.430 584 HA3 GLY 77 2HA GLY 77 1.817 12.902 -7.067 585 H ARG 78 H ARG 78 3.115 9.834 -5.677 586 HA ARG 78 HA ARG 78 5.937 10.883 -5.837 587 HB2 ARG 78 1HB ARG 78 4.931 10.069 -3.038 588 HB3 ARG 78 2HB ARG 78 6.456 10.798 -3.511 589 HG2 ARG 78 1HG ARG 78 5.022 12.935 -4.157 590 HG3 ARG 78 2HG ARG 78 3.663 12.088 -3.435 591 HD2 ARG 78 1HD ARG 78 5.097 11.924 -1.244 592 HD3 ARG 78 2HD ARG 78 6.221 13.065 -1.973 593 HE ARG 78 HE ARG 78 3.246 13.546 -1.261 594 HH11 ARG 78 1HH1 ARG 78 6.086 15.039 -2.631 595 HH12 ARG 78 2HH1 ARG 78 5.159 16.595 -2.919 596 HH21 ARG 78 1HH2 ARG 78 2.293 15.164 -1.626 597 HH22 ARG 78 2HH2 ARG 78 3.065 16.669 -2.335 598 H ASN 79 H ASN 79 7.048 9.175 -6.495 599 HA ASN 79 HA ASN 79 6.300 6.358 -5.970 600 HB2 ASN 79 1HB ASN 79 8.317 5.690 -7.095 601 HB3 ASN 79 2HB ASN 79 7.384 6.826 -8.026 602 HD21 ASN 79 1HD2 ASN 79 10.470 6.269 -6.599 603 HD22 ASN 79 2HD2 ASN 79 11.185 7.847 -7.217 604 H VAL 80 H VAL 80 6.777 5.152 -4.228 605 HA VAL 80 HA VAL 80 8.914 6.077 -2.251 606 HB VAL 80 HB VAL 80 7.571 5.700 -0.346 607 HG11 VAL 80 1HG1 VAL 80 5.996 7.575 -0.395 608 HG12 VAL 80 2HG1 VAL 80 7.378 7.990 -1.432 609 HG13 VAL 80 3HG1 VAL 80 5.845 7.501 -2.166 610 HG21 VAL 80 3HG2 VAL 80 6.028 3.880 -0.969 611 HG22 VAL 80 1HG2 VAL 80 5.104 5.251 -0.343 612 HG23 VAL 80 2HG2 VAL 80 5.151 4.936 -2.101 613 H LYS 81 H LYS 81 9.409 4.273 -0.734 614 HA LYS 81 HA LYS 81 9.049 1.528 -2.014 615 HB2 LYS 81 1HB LYS 81 11.588 3.035 -1.271 616 HB3 LYS 81 2HB LYS 81 11.555 1.410 -0.657 617 HG2 LYS 81 1HG LYS 81 11.121 0.453 -2.900 618 HG3 LYS 81 2HG LYS 81 10.953 2.050 -3.616 619 HD2 LYS 81 1HD LYS 81 13.263 2.551 -3.534 620 HD3 LYS 81 2HD LYS 81 13.553 1.593 -2.108 621 HE2 LYS 81 1HE LYS 81 14.677 0.371 -3.751 622 HE3 LYS 81 2HE LYS 81 13.228 -0.559 -3.441 623 HZ1 LYS 81 3HZ LYS 81 12.225 0.868 -5.497 624 HZ2 LYS 81 1HZ LYS 81 13.803 1.094 -5.897 625 HZ3 LYS 81 2HZ LYS 81 13.118 -0.420 -5.808 626 H SER 82 H SER 82 9.464 -0.255 -0.417 627 HA SER 82 HA SER 82 8.958 0.420 2.493 628 HB2 SER 82 1HB SER 82 6.963 -1.063 0.705 629 HB3 SER 82 2HB SER 82 6.917 -1.199 2.473 630 HG SER 82 HG SER 82 7.092 1.353 1.283 631 H VAL 83 H VAL 83 10.469 -0.642 3.531 632 HA VAL 83 HA VAL 83 11.550 -3.289 2.627 633 HB VAL 83 HB VAL 83 13.005 -1.547 3.408 634 HG11 VAL 83 1HG1 VAL 83 12.032 -1.977 6.278 635 HG12 VAL 83 2HG1 VAL 83 13.498 -1.115 5.764 636 HG13 VAL 83 3HG1 VAL 83 11.921 -0.495 5.275 637 HG21 VAL 83 3HG2 VAL 83 13.751 -3.936 3.385 638 HG22 VAL 83 1HG2 VAL 83 14.532 -3.021 4.691 639 HG23 VAL 83 2HG2 VAL 83 13.206 -4.134 5.070 640 H VAL 84 H VAL 84 10.197 -4.881 2.797 641 HA VAL 84 HA VAL 84 8.426 -5.311 5.184 642 HB VAL 84 HB VAL 84 8.746 -6.958 2.605 643 HG11 VAL 84 1HG1 VAL 84 7.674 -8.233 4.644 644 HG12 VAL 84 2HG1 VAL 84 6.346 -7.071 4.569 645 HG13 VAL 84 3HG1 VAL 84 6.688 -8.116 3.170 646 HG21 VAL 84 3HG2 VAL 84 6.804 -5.881 1.743 647 HG22 VAL 84 1HG2 VAL 84 6.372 -5.092 3.269 648 HG23 VAL 84 2HG2 VAL 84 7.766 -4.533 2.335 649 H GLU 85 H GLU 85 8.950 -6.492 6.793 650 HA GLU 85 HA GLU 85 10.693 -8.962 6.597 651 HB2 GLU 85 1HB GLU 85 11.395 -6.473 8.306 652 HB3 GLU 85 2HB GLU 85 11.989 -8.085 8.715 653 HG2 GLU 85 1HG GLU 85 13.168 -8.248 6.478 654 HG3 GLU 85 2HG GLU 85 12.613 -6.626 6.070 655 H LYS 86 H LYS 86 9.682 -10.484 7.751 656 HA LYS 86 HA LYS 86 7.593 -9.755 9.746 657 HB2 LYS 86 1HB LYS 86 6.569 -11.637 9.628 658 HB3 LYS 86 2HB LYS 86 7.220 -11.587 8.016 659 HG2 LYS 86 1HG LYS 86 8.214 -13.265 10.400 660 HG3 LYS 86 2HG LYS 86 7.203 -13.812 9.081 661 HD2 LYS 86 1HD LYS 86 9.046 -13.435 7.426 662 HD3 LYS 86 2HD LYS 86 10.086 -12.770 8.697 663 HE2 LYS 86 1HE LYS 86 9.940 -14.972 9.983 664 HE3 LYS 86 2HE LYS 86 8.930 -15.654 8.725 665 HZ1 LYS 86 3HZ LYS 86 10.776 -15.337 7.098 666 HZ2 LYS 86 1HZ LYS 86 11.702 -14.561 8.212 667 HZ3 LYS 86 2HZ LYS 86 11.379 -16.171 8.383 668 H ASN 87 H ASN 87 7.833 -9.855 11.884 669 HA ASN 87 HA ASN 87 10.628 -10.401 13.024 670 HB2 ASN 87 1HB ASN 87 8.351 -9.294 14.715 671 HB3 ASN 87 2HB ASN 87 10.059 -9.260 15.028 672 HD21 ASN 87 1HD2 ASN 87 11.250 -7.884 13.113 673 HD22 ASN 87 2HD2 ASN 87 10.386 -6.287 12.848 674 H SER 88 H SER 88 7.234 -11.171 13.558 675 HA SER 88 HA SER 88 8.000 -14.014 13.427 676 HB2 SER 88 1HB SER 88 6.289 -13.088 15.845 677 HB3 SER 88 2HB SER 88 6.451 -14.770 15.336 678 HG SER 88 HG SER 88 8.839 -13.364 15.560 679 H GLU 89 H GLU 89 5.766 -15.332 13.228 680 HA GLU 89 HA GLU 89 4.726 -14.307 10.746 681 HB2 GLU 89 1HB GLU 89 3.739 -16.754 12.311 682 HB3 GLU 89 2HB GLU 89 3.595 -16.432 10.603 683 HG2 GLU 89 1HG GLU 89 6.032 -17.360 12.151 684 HG3 GLU 89 2HG GLU 89 5.297 -18.036 10.717 685 H SER 90 H SER 90 3.640 -13.472 13.553 686 HA SER 90 HA SER 90 1.352 -12.103 12.290 687 HB2 SER 90 1HB SER 90 -0.272 -12.253 14.084 688 HB3 SER 90 2HB SER 90 0.161 -13.884 13.566 689 HG SER 90 HG SER 90 0.134 -13.659 15.855 690 H LYS 91 H LYS 91 4.066 -11.271 12.891 691 HA LYS 91 HA LYS 91 3.389 -8.632 14.110 692 HB2 LYS 91 1HB LYS 91 3.918 -9.939 16.118 693 HB3 LYS 91 2HB LYS 91 5.390 -10.576 15.417 694 HG2 LYS 91 1HG LYS 91 5.907 -8.964 17.088 695 HG3 LYS 91 2HG LYS 91 6.533 -8.418 15.560 696 HD2 LYS 91 1HD LYS 91 3.790 -7.395 16.454 697 HD3 LYS 91 2HD LYS 91 5.170 -6.852 17.364 698 HE2 LYS 91 1HE LYS 91 4.770 -6.426 14.318 699 HE3 LYS 91 2HE LYS 91 4.435 -5.259 15.579 700 HZ1 LYS 91 3HZ LYS 91 6.948 -5.572 16.230 701 HZ2 LYS 91 1HZ LYS 91 7.157 -6.289 14.761 702 HZ3 LYS 91 2HZ LYS 91 6.667 -4.735 14.839 703 H LEU 92 H LEU 92 3.858 -7.811 12.154 704 HA LEU 92 HA LEU 92 6.622 -8.232 10.870 705 HB2 LEU 92 1HB LEU 92 4.575 -9.122 9.823 706 HB3 LEU 92 2HB LEU 92 3.829 -7.546 9.712 707 HG LEU 92 HG LEU 92 6.542 -7.914 8.408 708 HD11 LEU 92 1HD1 LEU 92 5.578 -9.005 6.395 709 HD12 LEU 92 2HD1 LEU 92 5.377 -10.056 7.803 710 HD13 LEU 92 3HD1 LEU 92 3.986 -9.146 7.180 711 HD21 LEU 92 3HD2 LEU 92 5.150 -5.713 8.195 712 HD22 LEU 92 1HD2 LEU 92 5.613 -6.461 6.662 713 HD23 LEU 92 2HD2 LEU 92 3.960 -6.628 7.276 714 H THR 93 H THR 93 7.341 -6.336 9.493 715 HA THR 93 HA THR 93 6.603 -3.579 10.506 716 HB THR 93 HB THR 93 9.356 -4.874 10.922 717 HG1 THR 93 HG1 THR 93 7.456 -5.000 12.377 718 HG21 THR 93 3HG2 THR 93 9.995 -2.644 12.006 719 HG22 THR 93 1HG2 THR 93 9.894 -2.586 10.242 720 HG23 THR 93 2HG2 THR 93 8.592 -1.884 11.212 721 H GLN 94 H GLN 94 5.832 -3.398 8.404 722 HA GLN 94 HA GLN 94 7.803 -3.450 6.131 723 HB2 GLN 94 1HB GLN 94 6.074 -3.199 4.565 724 HB3 GLN 94 2HB GLN 94 5.900 -4.592 5.594 725 HG2 GLN 94 1HG GLN 94 4.076 -3.336 6.914 726 HG3 GLN 94 2HG GLN 94 4.207 -2.009 5.770 727 HE21 GLN 94 1HE2 GLN 94 3.890 -2.696 3.414 728 HE22 GLN 94 2HE2 GLN 94 2.584 -3.967 3.156 729 H THR 95 H THR 95 9.132 -1.794 6.516 730 HA THR 95 HA THR 95 8.082 0.827 7.551 731 HB THR 95 HB THR 95 10.989 0.014 7.089 732 HG1 THR 95 HG1 THR 95 9.956 -1.337 8.491 733 HG21 THR 95 3HG2 THR 95 10.904 2.438 7.355 734 HG22 THR 95 1HG2 THR 95 9.657 2.349 8.603 735 HG23 THR 95 2HG2 THR 95 11.290 1.760 8.945 736 H GLN 96 H GLN 96 7.427 2.371 6.177 737 HA GLN 96 HA GLN 96 7.972 2.206 3.301 738 HB2 GLN 96 1HB GLN 96 6.683 4.670 4.539 739 HB3 GLN 96 2HB GLN 96 6.642 4.143 2.888 740 HG2 GLN 96 1HG GLN 96 5.279 2.102 3.577 741 HG3 GLN 96 2HG GLN 96 5.287 2.652 5.240 742 HE21 GLN 96 1HE2 GLN 96 4.759 5.397 4.939 743 HE22 GLN 96 2HE2 GLN 96 3.111 5.517 4.163 744 H VAL 97 H VAL 97 9.447 3.191 2.046 745 HA VAL 97 HA VAL 97 11.433 5.155 3.320 746 HB VAL 97 HB VAL 97 11.814 3.078 1.073 747 HG11 VAL 97 1HG1 VAL 97 13.224 5.094 0.580 748 HG12 VAL 97 2HG1 VAL 97 13.739 5.148 2.279 749 HG13 VAL 97 3HG1 VAL 97 14.263 3.804 1.218 750 HG21 VAL 97 3HG2 VAL 97 11.847 2.021 3.353 751 HG22 VAL 97 1HG2 VAL 97 13.489 2.091 2.701 752 HG23 VAL 97 2HG2 VAL 97 12.970 3.261 3.950 753 H ASP 98 H ASP 98 9.835 6.769 2.935 754 HA ASP 98 HA ASP 98 9.005 7.548 0.257 755 HB2 ASP 98 1HB ASP 98 8.839 8.973 3.003 756 HB3 ASP 98 2HB ASP 98 7.833 9.343 1.643 757 HA PRO 99 HA PRO 99 12.142 10.988 -0.323 758 HB2 PRO 99 1HB PRO 99 10.615 13.250 -1.018 759 HB3 PRO 99 2HB PRO 99 11.010 11.905 -2.107 760 HG2 PRO 99 1HG PRO 99 8.443 12.234 -0.431 761 HG3 PRO 99 2HG PRO 99 8.559 11.914 -2.185 762 HD2 PRO 99 1HD PRO 99 8.145 9.857 -0.431 763 HD3 PRO 99 2HD PRO 99 9.261 9.605 -1.805 764 H LYS 100 H LYS 100 9.898 11.072 2.107 765 HA LYS 100 HA LYS 100 11.587 13.013 3.789 766 HB2 LYS 100 1HB LYS 100 8.863 13.107 3.698 767 HB3 LYS 100 2HB LYS 100 8.970 11.758 4.773 768 HG2 LYS 100 1HG LYS 100 10.345 14.483 5.305 769 HG3 LYS 100 2HG LYS 100 8.676 14.148 5.703 770 HD2 LYS 100 1HD LYS 100 9.512 12.126 7.142 771 HD3 LYS 100 2HD LYS 100 11.146 12.730 6.874 772 HE2 LYS 100 1HE LYS 100 10.430 15.006 7.860 773 HE3 LYS 100 2HE LYS 100 8.849 14.307 8.233 774 HZ1 LYS 100 3HZ LYS 100 11.493 13.202 9.223 775 HZ2 LYS 100 1HZ LYS 100 10.456 14.048 10.174 776 HZ3 LYS 100 2HZ LYS 100 10.046 12.557 9.604 777 H ASN 101 H ASN 101 10.812 9.625 3.312 778 HA ASN 101 HA ASN 101 11.150 7.670 4.444 779 HB2 ASN 101 1HB ASN 101 13.044 9.074 6.410 780 HB3 ASN 101 2HB ASN 101 12.724 7.361 6.313 781 HD21 ASN 101 1HD2 ASN 101 14.158 10.017 4.555 782 HD22 ASN 101 2HD2 ASN 101 15.117 8.909 3.441 783 H THR 102 H THR 102 9.581 6.652 5.448 784 HA THR 102 HA THR 102 8.131 7.898 7.796 785 HB THR 102 HB THR 102 7.611 5.262 6.341 786 HG1 THR 102 HG1 THR 102 7.062 6.927 4.894 787 HG21 THR 102 3HG2 THR 102 5.404 5.248 7.366 788 HG22 THR 102 1HG2 THR 102 6.557 5.397 8.707 789 HG23 THR 102 2HG2 THR 102 5.658 6.821 8.126 790 H THR 103 H THR 103 8.384 7.048 9.889 791 HA THR 103 HA THR 103 10.831 5.395 10.359 792 HB THR 103 HB THR 103 8.999 6.949 12.211 793 HG1 THR 103 HG1 THR 103 11.633 7.392 11.261 794 HG21 THR 103 3HG2 THR 103 11.774 5.763 12.896 795 HG22 THR 103 1HG2 THR 103 10.728 6.771 13.931 796 HG23 THR 103 2HG2 THR 103 10.229 5.125 13.490 797 H VAL 104 H VAL 104 10.805 3.445 11.522 798 HA VAL 104 HA VAL 104 9.451 1.408 10.558 799 HB VAL 104 HB VAL 104 9.900 -0.049 12.440 800 HG11 VAL 104 1HG1 VAL 104 12.273 1.755 11.680 801 HG12 VAL 104 2HG1 VAL 104 12.358 0.117 12.363 802 HG13 VAL 104 3HG1 VAL 104 11.649 0.362 10.765 803 HG21 VAL 104 3HG2 VAL 104 11.182 0.713 14.437 804 HG22 VAL 104 1HG2 VAL 104 10.992 2.417 13.965 805 HG23 VAL 104 2HG2 VAL 104 9.581 1.461 14.451 806 H ILE 105 H ILE 105 7.389 1.248 10.064 807 HA ILE 105 HA ILE 105 5.293 1.919 11.943 808 HB ILE 105 HB ILE 105 3.696 1.643 10.208 809 HG12 ILE 105 1HG1 ILE 105 4.472 1.010 7.823 810 HG13 ILE 105 2HG1 ILE 105 5.889 0.263 8.538 811 HG21 ILE 105 1HG2 ILE 105 6.202 2.847 8.887 812 HG22 ILE 105 2HG2 ILE 105 4.497 3.282 8.634 813 HG23 ILE 105 3HG2 ILE 105 5.308 3.631 10.185 814 HD11 ILE 105 3HD1 ILE 105 3.005 -0.611 9.242 815 HD12 ILE 105 1HD1 ILE 105 3.958 -1.287 7.917 816 HD13 ILE 105 2HD1 ILE 105 4.504 -1.499 9.583 817 H VAL 106 H VAL 106 6.677 -0.564 12.371 818 HA VAL 106 HA VAL 106 6.161 -3.002 12.886 819 HB VAL 106 HB VAL 106 5.749 -2.803 15.370 820 HG11 VAL 106 1HG1 VAL 106 7.971 -0.955 14.277 821 HG12 VAL 106 2HG1 VAL 106 7.925 -1.739 15.866 822 HG13 VAL 106 3HG1 VAL 106 8.090 -2.719 14.401 823 HG21 VAL 106 3HG2 VAL 106 5.807 0.255 14.972 824 HG22 VAL 106 1HG2 VAL 106 4.348 -0.685 15.313 825 HG23 VAL 106 2HG2 VAL 106 5.678 -0.655 16.501 826 H ARG 107 H ARG 107 4.677 -4.252 12.139 827 HA ARG 107 HA ARG 107 1.734 -3.499 12.283 828 HB2 ARG 107 1HB ARG 107 3.008 -3.870 10.076 829 HB3 ARG 107 2HB ARG 107 3.172 -5.568 10.498 830 HG2 ARG 107 1HG ARG 107 0.526 -5.624 10.589 831 HG3 ARG 107 2HG ARG 107 0.592 -3.975 9.993 832 HD2 ARG 107 1HD ARG 107 0.353 -5.003 7.975 833 HD3 ARG 107 2HD ARG 107 2.119 -4.960 8.012 834 HE ARG 107 HE ARG 107 1.116 -7.456 9.270 835 HH11 ARG 107 1HH1 ARG 107 1.602 -6.073 6.061 836 HH12 ARG 107 2HH1 ARG 107 1.214 -7.695 5.309 837 HH21 ARG 107 1HH2 ARG 107 0.805 -9.253 8.313 838 HH22 ARG 107 2HH2 ARG 107 0.834 -9.360 6.498 839 H GLU 108 H GLU 108 1.050 -4.201 14.243 840 HA GLU 108 HA GLU 108 1.543 -7.112 15.109 841 HB2 GLU 108 1HB GLU 108 2.311 -4.932 16.415 842 HB3 GLU 108 2HB GLU 108 0.632 -4.652 16.735 843 HG2 GLU 108 1HG GLU 108 1.302 -7.440 17.582 844 HG3 GLU 108 2HG GLU 108 2.556 -6.346 18.133 845 H VAL 109 H VAL 109 -0.602 -7.110 16.999 846 HA VAL 109 HA VAL 109 -3.128 -6.905 15.627 847 HB VAL 109 HB VAL 109 -2.284 -8.685 14.208 848 HG11 VAL 109 1HG1 VAL 109 -2.091 -11.033 14.890 849 HG12 VAL 109 2HG1 VAL 109 -0.964 -10.029 15.834 850 HG13 VAL 109 3HG1 VAL 109 -2.453 -10.634 16.589 851 HG21 VAL 109 3HG2 VAL 109 -4.312 -10.107 14.164 852 HG22 VAL 109 1HG2 VAL 109 -4.788 -9.507 15.764 853 HG23 VAL 109 2HG2 VAL 109 -4.705 -8.392 14.382 854 H ASP 110 H ASP 110 -4.675 -6.642 17.078 855 HA ASP 110 HA ASP 110 -4.390 -7.875 19.836 856 HB2 ASP 110 1HB ASP 110 -6.010 -5.578 18.594 857 HB3 ASP 110 2HB ASP 110 -6.487 -6.187 20.138 858 H GLY 111 H GLY 111 -4.925 -9.821 18.053 859 HA2 GLY 111 1HA GLY 111 -6.418 -11.769 17.883 860 HA3 GLY 111 2HA GLY 111 -7.548 -10.975 18.959 861 H ASP 112 H ASP 112 -6.449 -11.173 15.658 862 HA ASP 112 HA ASP 112 -7.186 -10.229 13.630 863 HB2 ASP 112 1HB ASP 112 -9.730 -11.419 14.838 864 HB3 ASP 112 2HB ASP 112 -9.759 -10.719 13.245 865 H THR 113 H THR 113 -6.754 -8.147 15.341 866 HA THR 113 HA THR 113 -8.150 -6.086 13.769 867 HB THR 113 HB THR 113 -9.644 -6.362 15.681 868 HG1 THR 113 HG1 THR 113 -8.523 -3.762 15.623 869 HG21 THR 113 3HG2 THR 113 -9.317 -5.270 17.792 870 HG22 THR 113 1HG2 THR 113 -8.127 -6.574 17.640 871 HG23 THR 113 2HG2 THR 113 -7.622 -4.885 17.450 872 H MET 114 H MET 114 -6.365 -5.827 12.869 873 HA MET 114 HA MET 114 -3.729 -6.041 13.884 874 HB2 MET 114 1HB MET 114 -4.665 -4.907 11.213 875 HB3 MET 114 2HB MET 114 -2.967 -5.013 11.647 876 HG2 MET 114 1HG MET 114 -3.491 -7.008 10.403 877 HG3 MET 114 2HG MET 114 -3.168 -7.482 12.074 878 HE1 MET 114 3HE MET 114 -4.038 -9.644 11.701 879 HE2 MET 114 1HE MET 114 -5.746 -10.092 11.825 880 HE3 MET 114 2HE MET 114 -5.047 -9.718 10.224 881 H LYS 115 H LYS 115 -2.798 -4.816 15.313 882 HA LYS 115 HA LYS 115 -3.124 -1.816 15.413 883 HB2 LYS 115 1HB LYS 115 -3.300 -3.206 17.425 884 HB3 LYS 115 2HB LYS 115 -1.650 -3.800 17.254 885 HG2 LYS 115 1HG LYS 115 -0.733 -1.492 17.614 886 HG3 LYS 115 2HG LYS 115 -2.348 -0.805 17.552 887 HD2 LYS 115 1HD LYS 115 -1.768 -0.831 19.809 888 HD3 LYS 115 2HD LYS 115 -3.024 -2.009 19.634 889 HE2 LYS 115 1HE LYS 115 -0.047 -2.916 19.622 890 HE3 LYS 115 2HE LYS 115 -0.812 -2.427 21.128 891 HZ1 LYS 115 3HZ LYS 115 -1.200 -4.935 19.677 892 HZ2 LYS 115 1HZ LYS 115 -1.722 -4.554 21.193 893 HZ3 LYS 115 2HZ LYS 115 -2.694 -4.191 19.939 894 H THR 116 H THR 116 -1.984 -0.886 13.778 895 HA THR 116 HA THR 116 0.987 -1.617 13.415 896 HB THR 116 HB THR 116 -0.051 -2.610 11.647 897 HG1 THR 116 HG1 THR 116 1.920 -1.093 11.488 898 HG21 THR 116 3HG2 THR 116 -1.308 0.001 10.707 899 HG22 THR 116 1HG2 THR 116 -1.148 -1.485 9.755 900 HG23 THR 116 2HG2 THR 116 -2.149 -1.465 11.220 901 H THR 117 H THR 117 1.679 -0.129 14.721 902 HA THR 117 HA THR 117 0.793 2.594 14.966 903 HB THR 117 HB THR 117 3.478 1.342 15.799 904 HG1 THR 117 HG1 THR 117 2.345 0.829 17.739 905 HG21 THR 117 3HG2 THR 117 3.264 3.799 16.363 906 HG22 THR 117 1HG2 THR 117 1.730 3.486 17.200 907 HG23 THR 117 2HG2 THR 117 3.250 2.809 17.833 908 H VAL 118 H VAL 118 1.017 4.044 13.212 909 HA VAL 118 HA VAL 118 3.658 4.044 11.755 910 HB VAL 118 HB VAL 118 1.922 3.868 10.370 911 HG11 VAL 118 1HG1 VAL 118 0.031 5.161 11.471 912 HG12 VAL 118 2HG1 VAL 118 0.758 6.657 10.857 913 HG13 VAL 118 3HG1 VAL 118 0.240 5.422 9.726 914 HG21 VAL 118 3HG2 VAL 118 2.977 6.733 9.862 915 HG22 VAL 118 1HG2 VAL 118 4.035 5.345 9.765 916 HG23 VAL 118 2HG2 VAL 118 2.637 5.463 8.666 917 H THR 119 H THR 119 5.149 4.884 13.011 918 HA THR 119 HA THR 119 4.815 7.771 13.959 919 HB THR 119 HB THR 119 5.577 6.333 15.749 920 HG1 THR 119 HG1 THR 119 7.642 7.332 16.098 921 HG21 THR 119 3HG2 THR 119 6.682 4.441 14.549 922 HG22 THR 119 1HG2 THR 119 7.973 5.507 13.990 923 HG23 THR 119 2HG2 THR 119 7.779 5.161 15.735 924 H VAL 120 H VAL 120 6.311 9.323 13.383 925 HA VAL 120 HA VAL 120 8.235 8.726 11.073 926 HB VAL 120 HB VAL 120 6.270 11.082 10.876 927 HG11 VAL 120 1HG1 VAL 120 8.364 11.331 9.563 928 HG12 VAL 120 2HG1 VAL 120 8.185 9.732 8.850 929 HG13 VAL 120 3HG1 VAL 120 7.027 11.001 8.437 930 HG21 VAL 120 3HG2 VAL 120 5.967 8.264 9.732 931 HG22 VAL 120 1HG2 VAL 120 4.874 9.139 10.813 932 HG23 VAL 120 2HG2 VAL 120 5.027 9.693 9.126 933 H GLY 121 H GLY 121 9.810 8.990 12.636 934 HA2 GLY 121 1HA GLY 121 11.257 10.113 14.210 935 HA3 GLY 121 2HA GLY 121 10.672 11.656 13.621 936 H ASP 122 H ASP 122 8.172 11.670 14.222 937 HA ASP 122 HA ASP 122 7.846 11.589 17.231 938 HB2 ASP 122 1HB ASP 122 7.966 14.061 17.473 939 HB3 ASP 122 2HB ASP 122 9.478 13.358 16.947 940 H VAL 123 H VAL 123 6.029 10.342 15.902 941 HA VAL 123 HA VAL 123 3.582 12.072 16.390 942 HB VAL 123 HB VAL 123 3.809 10.381 13.802 943 HG11 VAL 123 1HG1 VAL 123 1.518 12.120 15.025 944 HG12 VAL 123 2HG1 VAL 123 1.532 11.646 13.338 945 HG13 VAL 123 3HG1 VAL 123 1.431 10.403 14.592 946 HG21 VAL 123 3HG2 VAL 123 3.781 13.454 14.149 947 HG22 VAL 123 1HG2 VAL 123 5.073 12.440 13.455 948 HG23 VAL 123 2HG2 VAL 123 3.518 12.594 12.613 949 H THR 124 H THR 124 4.493 8.758 15.536 950 HA THR 124 HA THR 124 3.549 6.689 16.041 951 HB THR 124 HB THR 124 3.321 8.015 18.773 952 HG1 THR 124 HG1 THR 124 5.416 7.171 19.003 953 HG21 THR 124 3HG2 THR 124 2.353 5.615 18.768 954 HG22 THR 124 1HG2 THR 124 3.933 5.059 18.151 955 HG23 THR 124 2HG2 THR 124 3.821 5.799 19.743 956 H ALA 125 H ALA 125 1.829 6.839 14.575 957 HA ALA 125 HA ALA 125 -0.903 7.590 15.669 958 HB1 ALA 125 3HB ALA 125 0.244 7.052 12.872 959 HB2 ALA 125 1HB ALA 125 -1.474 7.348 13.106 960 HB3 ALA 125 2HB ALA 125 -0.272 8.591 13.546 961 H ILE 126 H ILE 126 -1.448 5.946 16.922 962 HA ILE 126 HA ILE 126 -0.876 3.178 16.437 963 HB ILE 126 HB ILE 126 -0.892 4.319 18.571 964 HG12 ILE 126 1HG1 ILE 126 -1.990 2.502 19.980 965 HG13 ILE 126 2HG1 ILE 126 -2.630 1.775 18.510 966 HG21 ILE 126 1HG2 ILE 126 -2.975 5.669 18.551 967 HG22 ILE 126 2HG2 ILE 126 -3.969 4.188 18.663 968 HG23 ILE 126 3HG2 ILE 126 -2.871 4.645 19.980 969 HD11 ILE 126 3HD1 ILE 126 0.388 2.389 18.936 970 HD12 ILE 126 1HD1 ILE 126 -0.354 0.842 19.367 971 HD13 ILE 126 2HD1 ILE 126 -0.341 1.364 17.669 972 H ARG 127 H ARG 127 -1.676 2.877 14.397 973 HA ARG 127 HA ARG 127 -4.476 3.112 13.742 974 HB2 ARG 127 1HB ARG 127 -2.462 1.506 12.118 975 HB3 ARG 127 2HB ARG 127 -4.045 2.070 11.605 976 HG2 ARG 127 1HG ARG 127 -3.343 4.435 11.709 977 HG3 ARG 127 2HG ARG 127 -1.757 3.993 12.316 978 HD2 ARG 127 1HD ARG 127 -2.911 3.087 9.587 979 HD3 ARG 127 2HD ARG 127 -1.825 4.456 9.845 980 HE ARG 127 HE ARG 127 -0.516 2.161 11.045 981 HH11 ARG 127 1HH1 ARG 127 -1.402 3.235 7.859 982 HH12 ARG 127 2HH1 ARG 127 -0.008 2.335 7.082 983 HH21 ARG 127 1HH2 ARG 127 0.928 1.029 10.128 984 HH22 ARG 127 2HH2 ARG 127 1.260 1.153 8.342 985 H ASN 128 H ASN 128 -6.032 1.802 14.391 986 HA ASN 128 HA ASN 128 -5.591 -1.203 14.722 987 HB2 ASN 128 1HB ASN 128 -6.676 0.479 16.481 988 HB3 ASN 128 2HB ASN 128 -8.056 0.496 15.396 989 HD21 ASN 128 1HD2 ASN 128 -8.344 -0.174 17.970 990 HD22 ASN 128 2HD2 ASN 128 -8.659 -1.988 18.079 991 H TYR 129 H TYR 129 -6.244 -2.457 13.014 992 HA TYR 129 HA TYR 129 -8.480 -1.486 11.133 993 HB2 TYR 129 1HB TYR 129 -5.969 -3.191 10.505 994 HB3 TYR 129 2HB TYR 129 -7.291 -2.964 9.399 995 HD1 TYR 129 HD1 TYR 129 -4.604 -0.957 11.196 996 HD2 TYR 129 HD2 TYR 129 -7.093 -1.372 7.712 997 HE1 TYR 129 HE1 TYR 129 -3.262 0.721 9.980 998 HE2 TYR 129 HE2 TYR 129 -5.787 0.314 6.559 999 HH TYR 129 HH TYR 129 -4.039 1.661 6.659 1000 H LYS 130 H LYS 130 -10.090 -2.919 10.731 1001 HA LYS 130 HA LYS 130 -10.182 -5.330 12.602 1002 HB2 LYS 130 1HB LYS 130 -12.041 -3.703 12.754 1003 HB3 LYS 130 2HB LYS 130 -12.347 -3.823 11.029 1004 HG2 LYS 130 1HG LYS 130 -14.085 -4.984 11.869 1005 HG3 LYS 130 2HG LYS 130 -13.051 -6.285 11.366 1006 HD2 LYS 130 1HD LYS 130 -13.413 -5.219 14.245 1007 HD3 LYS 130 2HD LYS 130 -14.294 -6.561 13.564 1008 HE2 LYS 130 1HE LYS 130 -11.252 -6.499 14.086 1009 HE3 LYS 130 2HE LYS 130 -12.446 -7.213 15.137 1010 HZ1 LYS 130 3HZ LYS 130 -12.823 -9.008 13.593 1011 HZ2 LYS 130 1HZ LYS 130 -12.217 -8.213 12.287 1012 HZ3 LYS 130 2HZ LYS 130 -11.194 -8.725 13.457 1013 H ARG 131 H ARG 131 -9.614 -7.209 11.769 1014 HA ARG 131 HA ARG 131 -9.441 -7.849 8.894 1015 HB2 ARG 131 1HB ARG 131 -8.065 -8.885 10.834 1016 HB3 ARG 131 2HB ARG 131 -9.491 -9.816 11.251 1017 HG2 ARG 131 1HG ARG 131 -9.348 -10.724 8.708 1018 HG3 ARG 131 2HG ARG 131 -7.734 -9.999 8.722 1019 HD2 ARG 131 1HD ARG 131 -7.323 -11.337 10.942 1020 HD3 ARG 131 2HD ARG 131 -8.862 -12.148 10.645 1021 HE ARG 131 HE ARG 131 -7.340 -12.587 8.242 1022 HH11 ARG 131 1HH1 ARG 131 -6.939 -13.398 11.718 1023 HH12 ARG 131 2HH1 ARG 131 -5.882 -14.806 11.192 1024 HH21 ARG 131 1HH2 ARG 131 -6.178 -14.200 7.857 1025 HH22 ARG 131 2HH2 ARG 131 -5.499 -15.230 9.224 1026 H LEU 132 H LEU 132 -10.853 -8.515 7.596 1027 HA LEU 132 HA LEU 132 -13.627 -9.437 8.497 1028 HB2 LEU 132 1HB LEU 132 -12.723 -7.962 5.964 1029 HB3 LEU 132 2HB LEU 132 -14.394 -8.421 6.338 1030 HG LEU 132 HG LEU 132 -12.587 -6.396 7.752 1031 HD11 LEU 132 1HD1 LEU 132 -13.533 -5.708 5.539 1032 HD12 LEU 132 2HD1 LEU 132 -15.185 -6.091 6.093 1033 HD13 LEU 132 3HD1 LEU 132 -14.276 -4.755 6.845 1034 HD21 LEU 132 3HD2 LEU 132 -14.058 -7.376 9.518 1035 HD22 LEU 132 1HD2 LEU 132 -14.570 -5.726 9.148 1036 HD23 LEU 132 2HD2 LEU 132 -15.508 -7.102 8.527 1037 H SER 133 H SER 133 -14.346 -11.261 7.831 1038 HA SER 133 HA SER 133 -12.653 -13.068 6.017 1039 HB2 SER 133 1HB SER 133 -13.678 -14.963 7.195 1040 HB3 SER 133 2HB SER 133 -12.943 -13.837 8.339 1041 HG SER 133 HG SER 133 -15.038 -14.533 8.986 1042 HXT SER 133 HXT SER 133 -15.684 -13.440 5.773 Start of MODEL 8 1 H1 MET 1 1H MET 1 2.842 -15.817 9.535 2 H2 MET 1 2H MET 1 3.380 -16.650 8.238 3 HA MET 1 HA MET 1 2.280 -13.898 8.219 4 HB2 MET 1 1HB MET 1 4.108 -14.314 6.529 5 HB3 MET 1 2HB MET 1 3.180 -15.631 5.831 6 HG2 MET 1 1HG MET 1 2.918 -13.577 4.489 7 HG3 MET 1 2HG MET 1 1.356 -14.033 5.177 8 HE1 MET 1 3HE MET 1 0.363 -10.535 6.072 9 HE2 MET 1 1HE MET 1 0.501 -11.545 4.603 10 HE3 MET 1 2HE MET 1 -0.157 -12.239 6.112 11 H SER 2 H SER 2 1.602 -17.276 7.111 12 HA SER 2 HA SER 2 -1.061 -16.533 6.162 13 HB2 SER 2 1HB SER 2 -1.327 -18.835 5.539 14 HB3 SER 2 2HB SER 2 0.306 -18.291 5.126 15 HG SER 2 HG SER 2 -0.366 -19.664 7.540 16 H SER 3 H SER 3 -1.749 -15.627 8.009 17 HA SER 3 HA SER 3 -3.465 -17.071 10.008 18 HB2 SER 3 1HB SER 3 -1.050 -17.410 10.745 19 HB3 SER 3 2HB SER 3 -0.845 -15.663 10.869 20 HG SER 3 HG SER 3 -1.435 -17.087 12.784 21 H PHE 4 H PHE 4 -1.725 -14.043 9.350 22 HA PHE 4 HA PHE 4 -4.361 -12.543 9.574 23 HB2 PHE 4 1HB PHE 4 -3.419 -10.437 9.776 24 HB3 PHE 4 2HB PHE 4 -3.034 -11.502 11.112 25 HD1 PHE 4 HD1 PHE 4 -0.452 -12.252 8.701 26 HD2 PHE 4 HD2 PHE 4 -1.833 -9.217 11.442 27 HE1 PHE 4 HE1 PHE 4 1.812 -11.405 8.924 28 HE2 PHE 4 HE2 PHE 4 0.453 -8.362 11.634 29 HZ PHE 4 HZ PHE 4 2.300 -9.455 10.396 30 H LEU 5 H LEU 5 -4.805 -13.774 7.694 31 HA LEU 5 HA LEU 5 -3.877 -12.415 5.135 32 HB2 LEU 5 1HB LEU 5 -5.282 -15.097 5.635 33 HB3 LEU 5 2HB LEU 5 -5.098 -14.391 4.044 34 HG LEU 5 HG LEU 5 -2.725 -15.015 5.887 35 HD11 LEU 5 1HD1 LEU 5 -3.971 -16.662 3.564 36 HD12 LEU 5 2HD1 LEU 5 -2.423 -17.046 4.329 37 HD13 LEU 5 3HD1 LEU 5 -3.917 -17.132 5.280 38 HD21 LEU 5 3HD2 LEU 5 -1.350 -14.882 3.782 39 HD22 LEU 5 1HD2 LEU 5 -2.785 -14.378 2.866 40 HD23 LEU 5 2HD2 LEU 5 -2.112 -13.329 4.132 41 H GLY 6 H GLY 6 -5.271 -11.098 4.126 42 HA2 GLY 6 1HA GLY 6 -7.786 -11.163 3.262 43 HA3 GLY 6 2HA GLY 6 -8.208 -10.991 4.969 44 H LYS 7 H LYS 7 -9.337 -9.210 4.100 45 HA LYS 7 HA LYS 7 -7.713 -6.733 3.495 46 HB2 LYS 7 1HB LYS 7 -9.641 -5.516 2.836 47 HB3 LYS 7 2HB LYS 7 -9.480 -6.954 1.901 48 HG2 LYS 7 1HG LYS 7 -11.254 -7.844 3.910 49 HG3 LYS 7 2HG LYS 7 -11.595 -6.137 3.914 50 HD2 LYS 7 1HD LYS 7 -13.173 -7.278 2.517 51 HD3 LYS 7 2HD LYS 7 -12.228 -6.215 1.477 52 HE2 LYS 7 1HE LYS 7 -11.061 -7.993 0.400 53 HE3 LYS 7 2HE LYS 7 -11.215 -9.101 1.762 54 HZ1 LYS 7 3HZ LYS 7 -13.656 -8.276 0.202 55 HZ2 LYS 7 1HZ LYS 7 -12.770 -9.614 -0.188 56 HZ3 LYS 7 2HZ LYS 7 -13.495 -9.525 1.280 57 H TRP 8 H TRP 8 -7.590 -5.052 4.913 58 HA TRP 8 HA TRP 8 -8.605 -5.706 7.728 59 HB2 TRP 8 1HB TRP 8 -6.020 -4.250 6.838 60 HB3 TRP 8 2HB TRP 8 -6.501 -4.560 8.503 61 HD1 TRP 8 HD1 TRP 8 -7.269 -7.962 7.287 62 HE1 TRP 8 HE1 TRP 8 -5.251 -9.633 7.270 63 HE3 TRP 8 HE3 TRP 8 -3.540 -4.465 7.852 64 HZ2 TRP 8 HZ2 TRP 8 -2.467 -9.346 7.771 65 HZ3 TRP 8 HZ3 TRP 8 -1.208 -5.284 8.156 66 HH2 TRP 8 HH2 TRP 8 -0.694 -7.674 8.119 67 H LYS 9 H LYS 9 -10.240 -4.333 8.241 68 HA LYS 9 HA LYS 9 -10.380 -1.667 6.749 69 HB2 LYS 9 1HB LYS 9 -12.800 -3.414 7.508 70 HB3 LYS 9 2HB LYS 9 -12.814 -1.860 6.689 71 HG2 LYS 9 1HG LYS 9 -11.051 -3.270 5.040 72 HG3 LYS 9 2HG LYS 9 -11.942 -4.596 5.674 73 HD2 LYS 9 1HD LYS 9 -12.914 -4.065 3.603 74 HD3 LYS 9 2HD LYS 9 -14.115 -3.494 4.755 75 HE2 LYS 9 1HE LYS 9 -13.602 -1.177 4.370 76 HE3 LYS 9 2HE LYS 9 -11.973 -1.502 3.809 77 HZ1 LYS 9 3HZ LYS 9 -13.394 -0.961 1.841 78 HZ2 LYS 9 1HZ LYS 9 -12.859 -2.415 1.646 79 HZ3 LYS 9 2HZ LYS 9 -14.423 -2.216 2.154 80 H LEU 10 H LEU 10 -10.769 0.068 7.870 81 HA LEU 10 HA LEU 10 -9.523 0.015 10.321 82 HB2 LEU 10 1HB LEU 10 -9.575 1.831 8.538 83 HB3 LEU 10 2HB LEU 10 -11.085 2.411 9.235 84 HG LEU 10 HG LEU 10 -9.796 2.736 11.469 85 HD11 LEU 10 1HD1 LEU 10 -7.313 2.965 11.318 86 HD12 LEU 10 2HD1 LEU 10 -7.759 1.295 10.974 87 HD13 LEU 10 3HD1 LEU 10 -7.314 2.375 9.639 88 HD21 LEU 10 3HD2 LEU 10 -8.779 4.886 10.679 89 HD22 LEU 10 1HD2 LEU 10 -8.917 4.366 8.987 90 HD23 LEU 10 2HD2 LEU 10 -10.379 4.638 9.963 91 H SER 11 H SER 11 -9.935 0.022 12.386 92 HA SER 11 HA SER 11 -12.767 -0.088 13.430 93 HB2 SER 11 1HB SER 11 -11.237 -2.032 13.873 94 HB3 SER 11 2HB SER 11 -10.162 -0.972 14.784 95 HG SER 11 HG SER 11 -12.269 -0.429 15.971 96 H GLU 12 H GLU 12 -9.639 1.562 13.999 97 HA GLU 12 HA GLU 12 -11.151 3.984 14.745 98 HB2 GLU 12 1HB GLU 12 -10.000 4.596 16.796 99 HB3 GLU 12 2HB GLU 12 -10.981 3.169 17.023 100 HG2 GLU 12 1HG GLU 12 -9.190 1.755 17.437 101 HG3 GLU 12 2HG GLU 12 -8.107 2.577 16.325 102 H SER 13 H SER 13 -10.094 5.817 14.397 103 HA SER 13 HA SER 13 -7.228 5.785 13.309 104 HB2 SER 13 1HB SER 13 -8.839 6.878 11.766 105 HB3 SER 13 2HB SER 13 -9.449 7.923 13.063 106 HG SER 13 HG SER 13 -7.917 9.048 11.882 107 H HIS 14 H HIS 14 -6.110 5.727 15.239 108 HA HIS 14 HA HIS 14 -6.929 7.358 17.576 109 HB2 HIS 14 1HB HIS 14 -5.875 5.041 17.623 110 HB3 HIS 14 2HB HIS 14 -4.319 5.772 17.285 111 HD1 HIS 14 HD1 HIS 14 -3.867 8.039 19.287 112 HD2 HIS 14 HD2 HIS 14 -6.421 4.682 20.169 113 HE1 HIS 14 HE1 HIS 14 -4.100 7.755 21.829 114 HE2 HIS 14 HE2 HIS 14 -5.668 5.790 22.467 115 H ASN 15 H ASN 15 -3.926 7.591 15.639 116 HA ASN 15 HA ASN 15 -4.096 10.598 16.020 117 HB2 ASN 15 1HB ASN 15 -1.366 9.218 16.000 118 HB3 ASN 15 2HB ASN 15 -1.733 10.911 16.232 119 HD21 ASN 15 1HD2 ASN 15 0.019 9.848 17.877 120 HD22 ASN 15 2HD2 ASN 15 -0.771 9.658 19.518 121 H PHE 16 H PHE 16 -4.847 8.650 13.778 122 HA PHE 16 HA PHE 16 -2.813 9.200 11.676 123 HB2 PHE 16 1HB PHE 16 -3.915 6.992 12.040 124 HB3 PHE 16 2HB PHE 16 -5.454 7.643 11.550 125 HD1 PHE 16 HD1 PHE 16 -1.950 7.127 10.352 126 HD2 PHE 16 HD2 PHE 16 -6.052 7.591 9.193 127 HE1 PHE 16 HE1 PHE 16 -1.346 6.619 7.985 128 HE2 PHE 16 HE2 PHE 16 -5.467 7.005 6.877 129 HZ PHE 16 HZ PHE 16 -3.121 6.533 6.258 130 H ASP 17 H ASP 17 -3.194 11.534 12.020 131 HA ASP 17 HA ASP 17 -4.597 12.460 9.526 132 HB2 ASP 17 1HB ASP 17 -6.178 13.643 10.423 133 HB3 ASP 17 2HB ASP 17 -5.861 12.880 11.922 134 H ALA 18 H ALA 18 -2.469 13.696 12.098 135 HA ALA 18 HA ALA 18 -1.062 15.539 10.186 136 HB1 ALA 18 3HB ALA 18 -1.556 16.141 12.641 137 HB2 ALA 18 1HB ALA 18 -0.337 14.925 13.127 138 HB3 ALA 18 2HB ALA 18 0.144 16.344 12.177 139 H VAL 19 H VAL 19 -0.507 12.430 11.379 140 HA VAL 19 HA VAL 19 2.314 11.926 10.942 141 HB VAL 19 HB VAL 19 0.570 10.457 12.044 142 HG11 VAL 19 1HG1 VAL 19 -0.697 8.830 10.926 143 HG12 VAL 19 2HG1 VAL 19 -1.193 10.411 10.286 144 HG13 VAL 19 3HG1 VAL 19 -0.166 9.327 9.305 145 HG21 VAL 19 3HG2 VAL 19 2.815 9.619 11.727 146 HG22 VAL 19 1HG2 VAL 19 1.669 8.324 11.420 147 HG23 VAL 19 2HG2 VAL 19 2.471 9.113 10.047 148 H MET 20 H MET 20 -0.302 11.998 8.641 149 HA MET 20 HA MET 20 1.478 11.348 6.295 150 HB2 MET 20 1HB MET 20 -1.548 11.969 6.481 151 HB3 MET 20 2HB MET 20 -0.722 11.788 4.954 152 HG2 MET 20 1HG MET 20 -0.979 9.572 7.083 153 HG3 MET 20 2HG MET 20 -1.855 9.703 5.560 154 HE1 MET 20 3HE MET 20 2.217 7.772 6.123 155 HE2 MET 20 1HE MET 20 1.728 9.091 7.218 156 HE3 MET 20 2HE MET 20 0.717 7.624 7.083 157 H SER 21 H SER 21 -0.369 14.162 7.528 158 HA SER 21 HA SER 21 0.529 15.970 5.417 159 HB2 SER 21 1HB SER 21 -1.463 16.247 7.118 160 HB3 SER 21 2HB SER 21 -0.277 16.795 8.295 161 HG SER 21 HG SER 21 0.362 18.385 6.625 162 H LYS 22 H LYS 22 2.073 15.242 8.579 163 HA LYS 22 HA LYS 22 4.283 17.142 8.147 164 HB2 LYS 22 1HB LYS 22 5.130 16.499 10.101 165 HB3 LYS 22 2HB LYS 22 3.449 16.051 10.363 166 HG2 LYS 22 1HG LYS 22 3.846 13.718 10.210 167 HG3 LYS 22 2HG LYS 22 5.408 13.855 9.452 168 HD2 LYS 22 1HD LYS 22 4.818 14.729 12.354 169 HD3 LYS 22 2HD LYS 22 5.482 13.189 11.832 170 HE2 LYS 22 1HE LYS 22 7.409 14.607 10.663 171 HE3 LYS 22 2HE LYS 22 6.818 15.965 11.630 172 HZ1 LYS 22 3HZ LYS 22 8.556 14.711 12.944 173 HZ2 LYS 22 1HZ LYS 22 7.187 14.482 13.732 174 HZ3 LYS 22 2HZ LYS 22 7.747 13.294 12.765 175 H LEU 23 H LEU 23 3.710 14.033 6.828 176 HA LEU 23 HA LEU 23 6.459 13.633 5.693 177 HB2 LEU 23 1HB LEU 23 4.622 11.764 6.167 178 HB3 LEU 23 2HB LEU 23 3.837 12.368 4.728 179 HG LEU 23 HG LEU 23 6.289 12.101 3.633 180 HD11 LEU 23 1HD1 LEU 23 6.461 9.806 5.685 181 HD12 LEU 23 2HD1 LEU 23 7.720 10.462 4.608 182 HD13 LEU 23 3HD1 LEU 23 7.207 11.363 6.035 183 HD21 LEU 23 3HD2 LEU 23 5.632 9.830 2.859 184 HD22 LEU 23 1HD2 LEU 23 4.468 9.658 4.184 185 HD23 LEU 23 2HD2 LEU 23 4.209 10.872 2.908 186 H GLY 24 H GLY 24 3.325 14.923 4.619 187 HA2 GLY 24 1HA GLY 24 3.556 17.152 3.368 188 HA3 GLY 24 2HA GLY 24 4.742 16.404 2.316 189 H VAL 25 H VAL 25 1.459 15.631 3.396 190 HA VAL 25 HA VAL 25 0.824 14.526 0.698 191 HB VAL 25 HB VAL 25 -0.418 14.197 3.476 192 HG11 VAL 25 1HG1 VAL 25 -1.202 12.676 0.894 193 HG12 VAL 25 2HG1 VAL 25 -1.775 12.327 2.548 194 HG13 VAL 25 3HG1 VAL 25 -2.245 13.830 1.741 195 HG21 VAL 25 3HG2 VAL 25 0.555 11.821 3.166 196 HG22 VAL 25 1HG2 VAL 25 1.268 12.339 1.622 197 HG23 VAL 25 2HG2 VAL 25 1.797 13.084 3.147 198 H SER 26 H SER 26 -0.572 15.222 -0.662 199 HA SER 26 HA SER 26 -1.334 17.937 -0.688 200 HB2 SER 26 1HB SER 26 -2.410 15.675 -2.500 201 HB3 SER 26 2HB SER 26 -2.450 17.401 -2.881 202 HG SER 26 HG SER 26 -0.148 15.702 -2.531 203 H TRP 27 H TRP 27 -3.282 19.116 -0.548 204 HA TRP 27 HA TRP 27 -5.479 17.949 1.047 205 HB2 TRP 27 1HB TRP 27 -5.001 20.727 -0.162 206 HB3 TRP 27 2HB TRP 27 -6.516 20.349 0.622 207 HD1 TRP 27 HD1 TRP 27 -2.926 21.322 1.590 208 HE1 TRP 27 HE1 TRP 27 -2.683 21.563 4.195 209 HE3 TRP 27 HE3 TRP 27 -7.383 19.084 2.839 210 HZ2 TRP 27 HZ2 TRP 27 -4.339 20.858 6.407 211 HZ3 TRP 27 HZ3 TRP 27 -7.988 18.902 5.233 212 HH2 TRP 27 HH2 TRP 27 -6.509 19.786 6.987 213 H ALA 28 H ALA 28 -5.363 16.565 -1.159 214 HA ALA 28 HA ALA 28 -8.348 16.371 -1.412 215 HB1 ALA 28 3HB ALA 28 -7.605 16.718 -3.776 216 HB2 ALA 28 1HB ALA 28 -6.492 15.335 -3.663 217 HB3 ALA 28 2HB ALA 28 -8.248 15.083 -3.548 218 H THR 29 H THR 29 -5.261 14.526 -1.513 219 HA THR 29 HA THR 29 -6.451 12.078 -0.315 220 HB THR 29 HB THR 29 -4.031 11.304 -0.148 221 HG1 THR 29 HG1 THR 29 -2.642 12.842 -1.484 222 HG21 THR 29 3HG2 THR 29 -4.549 12.474 -2.945 223 HG22 THR 29 1HG2 THR 29 -3.463 11.136 -2.496 224 HG23 THR 29 2HG2 THR 29 -5.217 10.943 -2.347 225 H ARG 30 H ARG 30 -5.122 14.885 1.163 226 HA ARG 30 HA ARG 30 -4.168 13.581 3.640 227 HB2 ARG 30 1HB ARG 30 -3.431 15.804 2.533 228 HB3 ARG 30 2HB ARG 30 -4.862 16.554 3.173 229 HG2 ARG 30 1HG ARG 30 -2.924 15.058 5.080 230 HG3 ARG 30 2HG ARG 30 -2.389 16.507 4.279 231 HD2 ARG 30 1HD ARG 30 -3.126 17.412 6.224 232 HD3 ARG 30 2HD ARG 30 -4.488 17.728 5.178 233 HE ARG 30 HE ARG 30 -5.466 15.417 6.201 234 HH11 ARG 30 1HH1 ARG 30 -3.473 17.593 8.158 235 HH12 ARG 30 2HH1 ARG 30 -4.354 16.946 9.653 236 HH21 ARG 30 1HH2 ARG 30 -6.464 14.955 7.977 237 HH22 ARG 30 2HH2 ARG 30 -5.771 15.652 9.554 238 H GLN 31 H GLN 31 -7.218 14.274 2.502 239 HA GLN 31 HA GLN 31 -8.524 14.298 5.255 240 HB2 GLN 31 1HB GLN 31 -10.464 15.297 4.436 241 HB3 GLN 31 2HB GLN 31 -9.074 16.239 3.974 242 HG2 GLN 31 1HG GLN 31 -9.680 14.497 1.685 243 HG3 GLN 31 2HG GLN 31 -11.212 15.018 2.313 244 HE21 GLN 31 1HE2 GLN 31 -8.029 16.423 1.661 245 HE22 GLN 31 2HE2 GLN 31 -8.710 17.832 0.687 246 H ILE 32 H ILE 32 -8.188 12.401 2.375 247 HA ILE 32 HA ILE 32 -10.331 10.385 3.035 248 HB ILE 32 HB ILE 32 -8.394 10.815 0.770 249 HG12 ILE 32 1HG1 ILE 32 -10.306 10.003 -0.601 250 HG13 ILE 32 2HG1 ILE 32 -11.235 9.614 0.826 251 HG21 ILE 32 1HG2 ILE 32 -7.631 8.515 1.305 252 HG22 ILE 32 2HG2 ILE 32 -9.297 7.932 1.382 253 HG23 ILE 32 3HG2 ILE 32 -8.622 8.511 -0.158 254 HD11 ILE 32 3HD1 ILE 32 -11.842 11.822 -0.324 255 HD12 ILE 32 1HD1 ILE 32 -11.446 12.043 1.395 256 HD13 ILE 32 2HD1 ILE 32 -10.254 12.478 0.156 257 H GLY 33 H GLY 33 -6.910 10.859 3.571 258 HA2 GLY 33 1HA GLY 33 -6.175 8.466 5.093 259 HA3 GLY 33 2HA GLY 33 -5.610 10.078 5.487 260 H ASN 34 H ASN 34 -7.634 11.456 6.523 261 HA ASN 34 HA ASN 34 -8.599 9.837 8.880 262 HB2 ASN 34 1HB ASN 34 -8.971 11.936 9.982 263 HB3 ASN 34 2HB ASN 34 -7.387 11.923 9.265 264 HD21 ASN 34 1HD2 ASN 34 -10.644 13.219 8.802 265 HD22 ASN 34 2HD2 ASN 34 -10.039 14.718 7.926 266 H THR 35 H THR 35 -9.914 9.197 6.453 267 HA THR 35 HA THR 35 -12.788 9.614 7.274 268 HB THR 35 HB THR 35 -11.781 10.473 4.509 269 HG1 THR 35 HG1 THR 35 -11.268 12.116 5.669 270 HG21 THR 35 3HG2 THR 35 -14.599 10.826 5.705 271 HG22 THR 35 1HG2 THR 35 -14.033 11.408 4.122 272 HG23 THR 35 2HG2 THR 35 -14.181 9.666 4.419 273 H VAL 36 H VAL 36 -10.852 8.297 4.512 274 HA VAL 36 HA VAL 36 -12.862 6.030 4.489 275 HB VAL 36 HB VAL 36 -11.066 6.914 2.166 276 HG11 VAL 36 1HG1 VAL 36 -12.637 5.474 0.819 277 HG12 VAL 36 2HG1 VAL 36 -11.901 4.501 2.096 278 HG13 VAL 36 3HG1 VAL 36 -13.576 5.077 2.270 279 HG21 VAL 36 3HG2 VAL 36 -13.350 7.803 1.193 280 HG22 VAL 36 1HG2 VAL 36 -13.906 7.834 2.901 281 HG23 VAL 36 2HG2 VAL 36 -12.527 8.786 2.419 282 H THR 37 H THR 37 -12.081 4.524 5.590 283 HA THR 37 HA THR 37 -9.829 3.450 6.590 284 HB THR 37 HB THR 37 -11.734 2.265 6.882 285 HG1 THR 37 HG1 THR 37 -10.160 0.613 5.205 286 HG21 THR 37 3HG2 THR 37 -12.983 0.933 5.250 287 HG22 THR 37 1HG2 THR 37 -12.943 2.633 4.727 288 HG23 THR 37 2HG2 THR 37 -11.909 1.437 3.910 289 HA PRO 38 HA PRO 38 -6.901 2.751 3.011 290 HB2 PRO 38 1HB PRO 38 -4.530 2.691 4.472 291 HB3 PRO 38 2HB PRO 38 -5.352 4.138 3.857 292 HG2 PRO 38 1HG PRO 38 -5.478 3.016 6.702 293 HG3 PRO 38 2HG PRO 38 -5.271 4.692 6.189 294 HD2 PRO 38 1HD PRO 38 -7.705 3.628 6.993 295 HD3 PRO 38 2HD PRO 38 -7.625 4.950 5.783 296 H THR 39 H THR 39 -7.962 0.931 2.693 297 HA THR 39 HA THR 39 -7.951 -1.424 4.335 298 HB THR 39 HB THR 39 -8.770 -1.196 1.414 299 HG1 THR 39 HG1 THR 39 -10.196 0.047 1.950 300 HG21 THR 39 3HG2 THR 39 -9.500 -3.144 3.664 301 HG22 THR 39 1HG2 THR 39 -10.635 -2.830 2.322 302 HG23 THR 39 2HG2 THR 39 -9.036 -3.474 1.997 303 H VAL 40 H VAL 40 -5.706 -1.572 4.440 304 HA VAL 40 HA VAL 40 -3.991 -2.407 2.256 305 HB VAL 40 HB VAL 40 -2.175 -2.761 3.998 306 HG11 VAL 40 1HG1 VAL 40 -2.426 -0.668 2.678 307 HG12 VAL 40 2HG1 VAL 40 -3.586 -0.017 3.854 308 HG13 VAL 40 3HG1 VAL 40 -1.896 -0.284 4.326 309 HG21 VAL 40 3HG2 VAL 40 -3.486 -3.170 6.082 310 HG22 VAL 40 1HG2 VAL 40 -2.535 -1.673 6.273 311 HG23 VAL 40 2HG2 VAL 40 -4.263 -1.591 5.969 312 H THR 41 H THR 41 -4.728 -4.137 1.360 313 HA THR 41 HA THR 41 -5.817 -6.362 2.941 314 HB THR 41 HB THR 41 -5.929 -5.671 -0.016 315 HG1 THR 41 HG1 THR 41 -6.983 -4.230 1.342 316 HG21 THR 41 3HG2 THR 41 -7.490 -7.887 1.407 317 HG22 THR 41 1HG2 THR 41 -7.997 -7.091 -0.107 318 HG23 THR 41 2HG2 THR 41 -6.484 -8.008 -0.036 319 H PHE 42 H PHE 42 -4.561 -7.881 3.608 320 HA PHE 42 HA PHE 42 -1.963 -8.353 2.098 321 HB2 PHE 42 1HB PHE 42 -2.625 -7.979 4.969 322 HB3 PHE 42 2HB PHE 42 -1.895 -9.533 4.813 323 HD1 PHE 42 HD1 PHE 42 0.243 -9.566 3.123 324 HD2 PHE 42 HD2 PHE 42 -1.126 -6.115 5.265 325 HE1 PHE 42 HE1 PHE 42 2.531 -8.630 3.079 326 HE2 PHE 42 HE2 PHE 42 1.180 -5.201 5.257 327 HZ PHE 42 HZ PHE 42 3.006 -6.463 4.188 328 H THR 43 H THR 43 -2.116 -9.888 0.806 329 HA THR 43 HA THR 43 -3.399 -12.563 1.529 330 HB THR 43 HB THR 43 -4.362 -12.575 -0.732 331 HG1 THR 43 HG1 THR 43 -3.110 -10.030 -0.986 332 HG21 THR 43 3HG2 THR 43 -5.082 -9.769 0.270 333 HG22 THR 43 1HG2 THR 43 -6.138 -11.009 -0.438 334 HG23 THR 43 2HG2 THR 43 -5.527 -11.166 1.242 335 H MET 44 H MET 44 -2.395 -14.423 0.779 336 HA MET 44 HA MET 44 0.329 -14.120 -0.482 337 HB2 MET 44 1HB MET 44 0.785 -16.407 -0.020 338 HB3 MET 44 2HB MET 44 0.365 -15.489 1.407 339 HG2 MET 44 1HG MET 44 -1.938 -16.614 1.439 340 HG3 MET 44 2HG MET 44 -1.458 -17.563 0.018 341 HE1 MET 44 3HE MET 44 -1.782 -19.883 1.267 342 HE2 MET 44 1HE MET 44 -1.159 -20.201 2.910 343 HE3 MET 44 2HE MET 44 -2.403 -18.943 2.656 344 H ASP 45 H ASP 45 0.317 -13.881 -2.611 345 HA ASP 45 HA ASP 45 -1.935 -15.031 -4.308 346 HB2 ASP 45 1HB ASP 45 -1.305 -12.560 -4.354 347 HB3 ASP 45 2HB ASP 45 0.232 -12.985 -5.101 348 H GLY 46 H GLY 46 -1.238 -17.102 -4.147 349 HA2 GLY 46 1HA GLY 46 -0.292 -19.096 -5.283 350 HA3 GLY 46 2HA GLY 46 0.921 -18.096 -6.055 351 H ASP 47 H ASP 47 2.382 -17.021 -4.442 352 HA ASP 47 HA ASP 47 3.151 -18.804 -2.099 353 HB2 ASP 47 1HB ASP 47 5.155 -17.799 -4.231 354 HB3 ASP 47 2HB ASP 47 5.629 -18.354 -2.634 355 H LYS 48 H LYS 48 3.895 -15.641 -3.661 356 HA LYS 48 HA LYS 48 4.756 -14.632 -0.960 357 HB2 LYS 48 1HB LYS 48 6.092 -13.107 -1.966 358 HB3 LYS 48 2HB LYS 48 6.269 -14.572 -2.884 359 HG2 LYS 48 1HG LYS 48 4.763 -13.510 -4.720 360 HG3 LYS 48 2HG LYS 48 4.647 -12.083 -3.702 361 HD2 LYS 48 1HD LYS 48 6.366 -11.361 -4.982 362 HD3 LYS 48 2HD LYS 48 7.325 -12.073 -3.732 363 HE2 LYS 48 1HE LYS 48 6.616 -13.432 -6.424 364 HE3 LYS 48 2HE LYS 48 8.094 -12.527 -6.085 365 HZ1 LYS 48 2HZ LYS 48 8.433 -14.907 -5.835 366 HZ3 LYS 48 1HZ LYS 48 7.272 -15.026 -4.695 367 H MET 49 H MET 49 4.401 -12.133 -0.698 368 HA MET 49 HA MET 49 1.462 -12.254 0.003 369 HB2 MET 49 1HB MET 49 1.896 -10.959 1.985 370 HB3 MET 49 2HB MET 49 2.855 -12.420 1.944 371 HG2 MET 49 1HG MET 49 4.894 -10.967 1.202 372 HG3 MET 49 2HG MET 49 3.879 -9.555 1.431 373 HE1 MET 49 3HE MET 49 5.825 -12.203 4.636 374 HE2 MET 49 1HE MET 49 5.081 -12.915 3.177 375 HE3 MET 49 2HE MET 49 6.425 -11.747 3.017 376 H THR 50 H THR 50 0.112 -10.726 -0.662 377 HA THR 50 HA THR 50 1.225 -8.346 -2.242 378 HB THR 50 HB THR 50 -1.280 -10.054 -2.855 379 HG1 THR 50 HG1 THR 50 0.780 -11.136 -3.080 380 HG21 THR 50 3HG2 THR 50 -1.246 -7.688 -3.866 381 HG22 THR 50 1HG2 THR 50 0.260 -8.117 -4.688 382 HG23 THR 50 2HG2 THR 50 -1.212 -9.012 -5.063 383 H MET 51 H MET 51 0.521 -6.498 -1.489 384 HA MET 51 HA MET 51 -1.899 -6.293 0.327 385 HB2 MET 51 1HB MET 51 0.268 -4.241 -0.270 386 HB3 MET 51 2HB MET 51 -1.336 -3.711 0.179 387 HG2 MET 51 1HG MET 51 -1.267 -5.185 2.261 388 HG3 MET 51 2HG MET 51 0.435 -5.507 1.932 389 HE1 MET 51 3HE MET 51 2.096 -3.286 1.304 390 HE2 MET 51 1HE MET 51 2.162 -2.126 2.657 391 HE3 MET 51 2HE MET 51 2.269 -3.881 2.981 392 H LEU 52 H LEU 52 -3.616 -6.531 -0.901 393 HA LEU 52 HA LEU 52 -3.989 -5.120 -3.536 394 HB2 LEU 52 1HB LEU 52 -6.041 -6.778 -1.970 395 HB3 LEU 52 2HB LEU 52 -6.137 -6.327 -3.649 396 HG LEU 52 HG LEU 52 -3.916 -8.138 -2.489 397 HD11 LEU 52 1HD1 LEU 52 -5.091 -10.068 -3.258 398 HD12 LEU 52 2HD1 LEU 52 -6.207 -9.180 -2.211 399 HD13 LEU 52 3HD1 LEU 52 -6.430 -9.115 -3.977 400 HD21 LEU 52 3HD2 LEU 52 -4.776 -7.590 -5.414 401 HD22 LEU 52 1HD2 LEU 52 -3.256 -7.113 -4.608 402 HD23 LEU 52 2HD2 LEU 52 -3.604 -8.827 -4.899 403 H THR 53 H THR 53 -3.530 -3.140 -2.139 404 HA THR 53 HA THR 53 -5.182 -2.143 -0.122 405 HB THR 53 HB THR 53 -3.442 -0.611 -2.094 406 HG1 THR 53 HG1 THR 53 -1.891 -0.926 -0.523 407 HG21 THR 53 3HG2 THR 53 -4.393 0.191 0.740 408 HG22 THR 53 1HG2 THR 53 -3.081 1.009 -0.161 409 HG23 THR 53 2HG2 THR 53 -4.739 1.056 -0.777 410 H GLU 54 H GLU 54 -7.079 -1.259 0.021 411 HA GLU 54 HA GLU 54 -8.522 -0.354 -2.514 412 HB2 GLU 54 1HB GLU 54 -8.859 -2.642 -1.994 413 HB3 GLU 54 2HB GLU 54 -9.155 -2.432 -0.302 414 HG2 GLU 54 1HG GLU 54 -11.126 -1.238 -2.313 415 HG3 GLU 54 2HG GLU 54 -11.040 -2.974 -2.057 416 H SER 55 H SER 55 -8.122 1.741 -1.976 417 HA SER 55 HA SER 55 -9.874 2.986 0.239 418 HB2 SER 55 1HB SER 55 -7.354 4.185 -1.097 419 HB3 SER 55 2HB SER 55 -8.190 4.815 0.323 420 HG SER 55 HG SER 55 -7.078 2.218 0.204 421 H THR 56 H THR 56 -10.374 5.415 -0.412 422 HA THR 56 HA THR 56 -11.667 5.568 -3.043 423 HB THR 56 HB THR 56 -11.038 7.749 -0.990 424 HG1 THR 56 HG1 THR 56 -13.537 6.846 -1.876 425 HG21 THR 56 3HG2 THR 56 -11.286 8.971 -3.171 426 HG22 THR 56 1HG2 THR 56 -12.763 8.063 -3.545 427 HG23 THR 56 2HG2 THR 56 -12.720 9.183 -2.160 428 H PHE 57 H PHE 57 -8.650 7.136 -1.955 429 HA PHE 57 HA PHE 57 -7.939 7.825 -4.803 430 HB2 PHE 57 1HB PHE 57 -6.975 8.682 -2.009 431 HB3 PHE 57 2HB PHE 57 -5.906 8.929 -3.349 432 HD1 PHE 57 HD1 PHE 57 -7.511 9.893 -5.623 433 HD2 PHE 57 HD2 PHE 57 -8.104 10.688 -1.434 434 HE1 PHE 57 HE1 PHE 57 -8.921 11.773 -6.177 435 HE2 PHE 57 HE2 PHE 57 -9.451 12.668 -2.014 436 HZ PHE 57 HZ PHE 57 -9.884 13.221 -4.383 437 H LYS 58 H LYS 58 -6.709 5.773 -2.277 438 HA LYS 58 HA LYS 58 -4.775 4.555 -4.366 439 HB2 LYS 58 1HB LYS 58 -4.430 4.422 -1.320 440 HB3 LYS 58 2HB LYS 58 -3.535 3.464 -2.492 441 HG2 LYS 58 1HG LYS 58 -2.874 5.722 -3.661 442 HG3 LYS 58 2HG LYS 58 -3.465 6.542 -2.226 443 HD2 LYS 58 1HD LYS 58 -1.270 4.354 -2.316 444 HD3 LYS 58 2HD LYS 58 -0.961 6.081 -2.316 445 HE2 LYS 58 1HE LYS 58 -1.990 6.349 -0.042 446 HE3 LYS 58 2HE LYS 58 -2.427 4.636 -0.016 447 HZ1 LYS 58 3HZ LYS 58 0.152 4.206 -0.515 448 HZ2 LYS 58 1HZ LYS 58 0.395 5.741 -0.003 449 HZ3 LYS 58 2HZ LYS 58 -0.229 4.628 1.036 450 H ASN 59 H ASN 59 -6.919 3.769 -5.075 451 HA ASN 59 HA ASN 59 -7.475 0.994 -3.934 452 HB2 ASN 59 1HB ASN 59 -9.227 2.794 -4.912 453 HB3 ASN 59 2HB ASN 59 -8.758 2.167 -6.463 454 HD21 ASN 59 1HD2 ASN 59 -10.722 1.699 -3.767 455 HD22 ASN 59 2HD2 ASN 59 -11.346 0.039 -4.292 456 H LEU 60 H LEU 60 -5.420 0.105 -4.315 457 HA LEU 60 HA LEU 60 -4.689 -0.658 -7.076 458 HB2 LEU 60 1HB LEU 60 -2.473 0.513 -7.167 459 HB3 LEU 60 2HB LEU 60 -3.850 1.576 -7.142 460 HG LEU 60 HG LEU 60 -3.398 1.656 -4.467 461 HD11 LEU 60 1HD1 LEU 60 -1.411 0.059 -4.454 462 HD12 LEU 60 2HD1 LEU 60 -0.557 1.093 -5.609 463 HD13 LEU 60 3HD1 LEU 60 -0.917 1.681 -3.972 464 HD21 LEU 60 3HD2 LEU 60 -1.675 3.246 -6.502 465 HD22 LEU 60 1HD2 LEU 60 -3.353 3.631 -6.052 466 HD23 LEU 60 2HD2 LEU 60 -2.064 3.726 -4.833 467 H SER 61 H SER 61 -3.247 -2.374 -7.266 468 HA SER 61 HA SER 61 -2.555 -3.741 -4.662 469 HB2 SER 61 1HB SER 61 -2.377 -5.807 -6.047 470 HB3 SER 61 2HB SER 61 -3.947 -5.016 -6.250 471 HG SER 61 HG SER 61 -1.745 -4.553 -8.006 472 H VAL 62 H VAL 62 -0.535 -4.305 -4.014 473 HA VAL 62 HA VAL 62 1.796 -4.186 -5.964 474 HB VAL 62 HB VAL 62 3.177 -3.584 -3.930 475 HG11 VAL 62 1HG1 VAL 62 2.976 -1.154 -4.426 476 HG12 VAL 62 2HG1 VAL 62 2.888 -2.103 -5.915 477 HG13 VAL 62 3HG1 VAL 62 1.400 -1.421 -5.221 478 HG21 VAL 62 3HG2 VAL 62 2.197 -2.102 -2.234 479 HG22 VAL 62 1HG2 VAL 62 0.559 -2.350 -2.896 480 HG23 VAL 62 2HG2 VAL 62 1.430 -3.710 -2.150 481 H THR 63 H THR 63 3.178 -5.852 -5.900 482 HA THR 63 HA THR 63 2.507 -8.248 -4.109 483 HB THR 63 HB THR 63 3.816 -8.467 -6.881 484 HG1 THR 63 HG1 THR 63 1.509 -7.705 -6.663 485 HG21 THR 63 3HG2 THR 63 3.296 -10.836 -6.754 486 HG22 THR 63 1HG2 THR 63 4.085 -10.452 -5.205 487 HG23 THR 63 2HG2 THR 63 2.333 -10.649 -5.291 488 H PHE 64 H PHE 64 4.136 -9.142 -3.001 489 HA PHE 64 HA PHE 64 7.018 -8.599 -3.444 490 HB2 PHE 64 1HB PHE 64 7.423 -7.131 -1.476 491 HB3 PHE 64 2HB PHE 64 6.438 -6.410 -2.706 492 HD1 PHE 64 HD1 PHE 64 6.348 -7.794 0.766 493 HD2 PHE 64 HD2 PHE 64 4.083 -5.786 -2.294 494 HE1 PHE 64 HE1 PHE 64 4.657 -7.144 2.432 495 HE2 PHE 64 HE2 PHE 64 2.365 -5.217 -0.646 496 HZ PHE 64 HZ PHE 64 2.649 -5.867 1.721 497 H LYS 65 H LYS 65 8.348 -9.098 -1.457 498 HA LYS 65 HA LYS 65 7.170 -11.241 0.293 499 HB2 LYS 65 1HB LYS 65 8.346 -13.028 -0.337 500 HB3 LYS 65 2HB LYS 65 8.327 -12.248 -1.866 501 HG2 LYS 65 1HG LYS 65 10.727 -11.307 -1.267 502 HG3 LYS 65 2HG LYS 65 10.703 -12.416 0.087 503 HD2 LYS 65 1HD LYS 65 10.281 -14.356 -1.469 504 HD3 LYS 65 2HD LYS 65 10.212 -13.280 -2.855 505 HE2 LYS 65 1HE LYS 65 12.723 -13.657 -1.062 506 HE3 LYS 65 2HE LYS 65 12.388 -14.550 -2.549 507 HZ1 LYS 65 3HZ LYS 65 12.067 -12.022 -3.525 508 HZ2 LYS 65 1HZ LYS 65 13.079 -11.628 -2.316 509 HZ3 LYS 65 2HZ LYS 65 13.586 -12.708 -3.467 510 H PHE 66 H PHE 66 8.754 -11.921 2.075 511 HA PHE 66 HA PHE 66 9.967 -9.488 3.303 512 HB2 PHE 66 1HB PHE 66 10.334 -10.636 5.216 513 HB3 PHE 66 2HB PHE 66 8.706 -10.871 4.697 514 HD1 PHE 66 HD1 PHE 66 8.053 -13.250 3.711 515 HD2 PHE 66 HD2 PHE 66 11.731 -12.504 5.832 516 HE1 PHE 66 HE1 PHE 66 8.241 -15.639 4.232 517 HE2 PHE 66 HE2 PHE 66 11.902 -14.900 6.352 518 HZ PHE 66 HZ PHE 66 10.163 -16.479 5.554 519 H GLY 67 H GLY 67 11.158 -9.261 1.444 520 HA2 GLY 67 1HA GLY 67 13.968 -9.181 1.343 521 HA3 GLY 67 2HA GLY 67 13.647 -10.871 0.975 522 H GLU 68 H GLU 68 12.015 -7.884 0.009 523 HA GLU 68 HA GLU 68 13.088 -8.147 -2.826 524 HB2 GLU 68 1HB GLU 68 10.159 -7.304 -2.329 525 HB3 GLU 68 2HB GLU 68 11.047 -7.128 -3.834 526 HG2 GLU 68 1HG GLU 68 10.162 -9.740 -2.544 527 HG3 GLU 68 2HG GLU 68 9.516 -8.975 -3.972 528 H GLU 69 H GLU 69 11.292 -6.011 -0.661 529 HA GLU 69 HA GLU 69 11.436 -3.762 -0.132 530 HB2 GLU 69 1HB GLU 69 13.948 -3.813 -0.298 531 HB3 GLU 69 2HB GLU 69 13.822 -3.257 -1.962 532 HG2 GLU 69 1HG GLU 69 12.465 -1.228 -1.105 533 HG3 GLU 69 2HG GLU 69 12.711 -1.772 0.527 534 H PHE 70 H PHE 70 9.498 -3.225 -0.885 535 HA PHE 70 HA PHE 70 8.952 -3.267 -3.859 536 HB2 PHE 70 1HB PHE 70 6.740 -3.609 -3.562 537 HB3 PHE 70 2HB PHE 70 7.493 -4.603 -2.362 538 HD1 PHE 70 HD1 PHE 70 5.455 -1.506 -2.904 539 HD2 PHE 70 HD2 PHE 70 6.947 -4.274 0.027 540 HE1 PHE 70 HE1 PHE 70 3.946 -0.541 -1.221 541 HE2 PHE 70 HE2 PHE 70 5.372 -3.360 1.684 542 HZ PHE 70 HZ PHE 70 3.874 -1.464 1.054 543 H ASP 71 H ASP 71 7.840 -1.466 -4.861 544 HA ASP 71 HA ASP 71 7.668 1.061 -3.197 545 HB2 ASP 71 1HB ASP 71 8.049 2.480 -5.247 546 HB3 ASP 71 2HB ASP 71 9.386 1.813 -4.404 547 H GLU 72 H GLU 72 5.961 2.313 -3.391 548 HA GLU 72 HA GLU 72 3.639 1.334 -5.123 549 HB2 GLU 72 1HB GLU 72 1.983 2.073 -3.609 550 HB3 GLU 72 2HB GLU 72 2.977 0.840 -2.872 551 HG2 GLU 72 1HG GLU 72 4.092 2.499 -1.394 552 HG3 GLU 72 2HG GLU 72 3.370 3.840 -2.258 553 H LYS 73 H LYS 73 2.901 2.771 -6.491 554 HA LYS 73 HA LYS 73 3.942 5.637 -6.415 555 HB2 LYS 73 1HB LYS 73 4.152 4.289 -8.547 556 HB3 LYS 73 2HB LYS 73 2.414 4.216 -8.693 557 HG2 LYS 73 1HG LYS 73 3.409 7.059 -8.317 558 HG3 LYS 73 2HG LYS 73 4.254 6.240 -9.598 559 HD2 LYS 73 1HD LYS 73 2.486 7.377 -10.628 560 HD3 LYS 73 2HD LYS 73 2.084 5.668 -10.743 561 HE2 LYS 73 1HE LYS 73 0.450 5.896 -8.815 562 HE3 LYS 73 2HE LYS 73 0.917 7.581 -8.579 563 HZ1 LYS 73 3HZ LYS 73 0.107 8.053 -10.904 564 HZ2 LYS 73 1HZ LYS 73 -0.313 6.483 -11.119 565 HZ3 LYS 73 2HZ LYS 73 -1.116 7.403 -10.017 566 H THR 74 H THR 74 2.755 7.040 -5.427 567 HA THR 74 HA THR 74 0.028 6.325 -4.536 568 HB THR 74 HB THR 74 0.443 8.074 -2.815 569 HG1 THR 74 HG1 THR 74 3.017 8.404 -3.884 570 HG21 THR 74 3HG2 THR 74 2.454 7.085 -1.718 571 HG22 THR 74 1HG2 THR 74 1.472 5.772 -2.434 572 HG23 THR 74 2HG2 THR 74 2.951 6.306 -3.233 573 H SER 75 H SER 75 -1.789 7.581 -4.532 574 HA SER 75 HA SER 75 -2.417 9.444 -6.621 575 HB2 SER 75 1HB SER 75 -4.065 8.094 -5.330 576 HB3 SER 75 2HB SER 75 -3.802 9.118 -3.909 577 HG SER 75 HG SER 75 -4.318 10.898 -5.592 578 H ASP 76 H ASP 76 -0.896 10.305 -3.581 579 HA ASP 76 HA ASP 76 -1.153 13.241 -3.843 580 HB2 ASP 76 1HB ASP 76 -0.654 11.991 -1.737 581 HB3 ASP 76 2HB ASP 76 0.844 11.372 -2.428 582 H GLY 77 H GLY 77 0.655 10.888 -5.612 583 HA2 GLY 77 1HA GLY 77 1.885 11.355 -7.665 584 HA3 GLY 77 2HA GLY 77 2.152 13.011 -7.163 585 H ARG 78 H ARG 78 2.954 9.801 -5.745 586 HA ARG 78 HA ARG 78 5.890 10.556 -5.599 587 HB2 ARG 78 1HB ARG 78 4.577 9.476 -3.058 588 HB3 ARG 78 2HB ARG 78 6.099 10.293 -3.249 589 HG2 ARG 78 1HG ARG 78 3.294 11.575 -3.429 590 HG3 ARG 78 2HG ARG 78 4.205 11.392 -1.952 591 HD2 ARG 78 1HD ARG 78 5.986 12.956 -2.743 592 HD3 ARG 78 2HD ARG 78 5.206 13.078 -4.340 593 HE ARG 78 HE ARG 78 3.273 13.633 -2.087 594 HH11 ARG 78 1HH1 ARG 78 5.597 15.185 -4.178 595 HH12 ARG 78 2HH1 ARG 78 4.661 16.761 -4.114 596 HH21 ARG 78 1HH2 ARG 78 2.260 15.305 -2.110 597 HH22 ARG 78 2HH2 ARG 78 2.837 16.826 -2.947 598 H ASN 79 H ASN 79 6.875 8.809 -6.396 599 HA ASN 79 HA ASN 79 6.005 5.972 -5.866 600 HB2 ASN 79 1HB ASN 79 7.181 6.554 -7.998 601 HB3 ASN 79 2HB ASN 79 8.600 7.061 -7.098 602 HD21 ASN 79 1HD2 ASN 79 6.725 4.239 -8.099 603 HD22 ASN 79 2HD2 ASN 79 8.052 3.048 -7.609 604 H VAL 80 H VAL 80 6.336 5.074 -3.890 605 HA VAL 80 HA VAL 80 8.583 6.189 -2.135 606 HB VAL 80 HB VAL 80 7.399 6.072 -0.157 607 HG11 VAL 80 1HG1 VAL 80 6.001 8.118 -0.391 608 HG12 VAL 80 2HG1 VAL 80 7.351 8.220 -1.548 609 HG13 VAL 80 3HG1 VAL 80 5.733 7.788 -2.120 610 HG21 VAL 80 3HG2 VAL 80 4.740 5.492 -1.631 611 HG22 VAL 80 1HG2 VAL 80 5.577 4.367 -0.536 612 HG23 VAL 80 2HG2 VAL 80 4.929 5.884 0.100 613 H LYS 81 H LYS 81 9.530 4.683 -0.810 614 HA LYS 81 HA LYS 81 9.442 1.919 -2.083 615 HB2 LYS 81 1HB LYS 81 11.438 3.559 -2.496 616 HB3 LYS 81 2HB LYS 81 11.858 3.370 -0.817 617 HG2 LYS 81 1HG LYS 81 13.277 2.023 -2.166 618 HG3 LYS 81 2HG LYS 81 12.295 0.924 -1.219 619 HD2 LYS 81 1HD LYS 81 10.826 0.456 -3.165 620 HD3 LYS 81 2HD LYS 81 11.580 1.724 -4.126 621 HE2 LYS 81 1HE LYS 81 13.660 0.510 -4.377 622 HE3 LYS 81 2HE LYS 81 13.253 -0.677 -3.148 623 HZ1 LYS 81 3HZ LYS 81 11.316 -0.387 -5.463 624 HZ2 LYS 81 1HZ LYS 81 12.707 -1.287 -5.666 625 HZ3 LYS 81 2HZ LYS 81 11.648 -1.706 -4.480 626 H SER 82 H SER 82 9.929 0.136 -0.584 627 HA SER 82 HA SER 82 9.378 0.607 2.366 628 HB2 SER 82 1HB SER 82 7.568 -0.874 0.362 629 HB3 SER 82 2HB SER 82 7.373 -0.984 2.117 630 HG SER 82 HG SER 82 7.638 1.580 1.043 631 H VAL 83 H VAL 83 10.775 -0.590 3.503 632 HA VAL 83 HA VAL 83 12.032 -3.013 2.195 633 HB VAL 83 HB VAL 83 13.419 -1.182 2.910 634 HG11 VAL 83 1HG1 VAL 83 12.797 -1.863 5.836 635 HG12 VAL 83 2HG1 VAL 83 14.169 -0.888 5.253 636 HG13 VAL 83 3HG1 VAL 83 12.525 -0.332 4.947 637 HG21 VAL 83 3HG2 VAL 83 14.396 -3.416 2.593 638 HG22 VAL 83 1HG2 VAL 83 15.212 -2.576 3.924 639 HG23 VAL 83 2HG2 VAL 83 14.039 -3.865 4.284 640 H VAL 84 H VAL 84 11.150 -4.876 2.500 641 HA VAL 84 HA VAL 84 9.071 -5.168 4.568 642 HB VAL 84 HB VAL 84 9.857 -7.187 2.424 643 HG11 VAL 84 1HG1 VAL 84 8.244 -7.916 4.399 644 HG12 VAL 84 2HG1 VAL 84 7.088 -6.728 3.782 645 HG13 VAL 84 3HG1 VAL 84 7.580 -8.100 2.758 646 HG21 VAL 84 3HG2 VAL 84 8.087 -6.264 0.987 647 HG22 VAL 84 1HG2 VAL 84 7.710 -4.975 2.163 648 HG23 VAL 84 2HG2 VAL 84 9.258 -4.990 1.299 649 H GLU 85 H GLU 85 9.378 -5.934 6.420 650 HA GLU 85 HA GLU 85 11.063 -8.439 6.925 651 HB2 GLU 85 1HB GLU 85 12.106 -6.579 8.100 652 HB3 GLU 85 2HB GLU 85 10.597 -5.949 8.701 653 HG2 GLU 85 1HG GLU 85 11.078 -8.777 9.682 654 HG3 GLU 85 2HG GLU 85 12.404 -7.697 10.050 655 H LYS 86 H LYS 86 9.649 -10.054 7.155 656 HA LYS 86 HA LYS 86 7.080 -9.641 8.698 657 HB2 LYS 86 1HB LYS 86 6.667 -10.541 6.414 658 HB3 LYS 86 2HB LYS 86 7.719 -11.907 6.709 659 HG2 LYS 86 1HG LYS 86 5.175 -11.247 8.351 660 HG3 LYS 86 2HG LYS 86 5.163 -12.217 6.905 661 HD2 LYS 86 1HD LYS 86 6.426 -12.939 9.612 662 HD3 LYS 86 2HD LYS 86 4.995 -13.556 8.890 663 HE2 LYS 86 1HE LYS 86 6.299 -15.328 8.310 664 HE3 LYS 86 2HE LYS 86 6.625 -14.372 6.872 665 HZ1 LYS 86 3HZ LYS 86 8.426 -14.877 9.203 666 HZ2 LYS 86 1HZ LYS 86 8.855 -14.683 7.601 667 HZ3 LYS 86 2HZ LYS 86 8.562 -13.398 8.553 668 H ASN 87 H ASN 87 7.522 -10.154 10.781 669 HA ASN 87 HA ASN 87 9.851 -12.107 11.337 670 HB2 ASN 87 1HB ASN 87 9.705 -9.890 12.562 671 HB3 ASN 87 2HB ASN 87 8.270 -10.462 13.384 672 HD21 ASN 87 1HD2 ASN 87 8.596 -12.510 14.742 673 HD22 ASN 87 2HD2 ASN 87 10.269 -12.639 15.488 674 H SER 88 H SER 88 6.535 -11.677 12.575 675 HA SER 88 HA SER 88 6.223 -14.743 12.721 676 HB2 SER 88 1HB SER 88 5.292 -12.607 14.779 677 HB3 SER 88 2HB SER 88 4.931 -14.334 14.874 678 HG SER 88 HG SER 88 6.710 -13.989 16.105 679 H GLU 89 H GLU 89 3.780 -15.200 13.220 680 HA GLU 89 HA GLU 89 1.873 -14.336 11.186 681 HB2 GLU 89 1HB GLU 89 1.599 -15.476 14.070 682 HB3 GLU 89 2HB GLU 89 0.253 -15.300 12.985 683 HG2 GLU 89 1HG GLU 89 1.255 -16.980 11.376 684 HG3 GLU 89 2HG GLU 89 2.623 -17.197 12.457 685 H SER 90 H SER 90 2.974 -12.629 13.718 686 HA SER 90 HA SER 90 0.960 -10.516 13.530 687 HB2 SER 90 1HB SER 90 0.371 -10.279 15.947 688 HB3 SER 90 2HB SER 90 -0.137 -11.847 15.326 689 HG SER 90 HG SER 90 1.757 -12.743 16.249 690 H LYS 91 H LYS 91 3.714 -10.598 12.766 691 HA LYS 91 HA LYS 91 4.153 -7.876 13.752 692 HB2 LYS 91 1HB LYS 91 5.367 -8.911 15.574 693 HB3 LYS 91 2HB LYS 91 6.120 -10.104 14.546 694 HG2 LYS 91 1HG LYS 91 7.820 -8.664 15.220 695 HG3 LYS 91 2HG LYS 91 7.599 -8.384 13.503 696 HD2 LYS 91 1HD LYS 91 6.344 -6.230 13.993 697 HD3 LYS 91 2HD LYS 91 6.509 -6.540 15.717 698 HE2 LYS 91 1HE LYS 91 8.300 -5.035 15.243 699 HE3 LYS 91 2HE LYS 91 9.079 -6.598 15.441 700 HZ1 LYS 91 3HZ LYS 91 10.004 -5.687 13.345 701 HZ2 LYS 91 1HZ LYS 91 8.982 -6.732 12.778 702 HZ3 LYS 91 2HZ LYS 91 8.549 -5.162 12.809 703 H LEU 92 H LEU 92 3.922 -7.330 11.607 704 HA LEU 92 HA LEU 92 6.355 -7.961 9.839 705 HB2 LEU 92 1HB LEU 92 4.069 -8.696 9.053 706 HB3 LEU 92 2HB LEU 92 3.498 -7.051 8.972 707 HG LEU 92 HG LEU 92 5.978 -7.950 7.428 708 HD11 LEU 92 1HD1 LEU 92 4.512 -8.625 5.496 709 HD12 LEU 92 2HD1 LEU 92 4.224 -9.654 6.906 710 HD13 LEU 92 3HD1 LEU 92 3.061 -8.382 6.499 711 HD21 LEU 92 3HD2 LEU 92 5.267 -5.436 7.325 712 HD22 LEU 92 1HD2 LEU 92 5.370 -6.226 5.761 713 HD23 LEU 92 2HD2 LEU 92 3.787 -5.964 6.522 714 H THR 93 H THR 93 7.441 -6.142 8.873 715 HA THR 93 HA THR 93 6.519 -3.323 9.622 716 HB THR 93 HB THR 93 9.140 -4.680 10.464 717 HG1 THR 93 HG1 THR 93 6.856 -4.511 11.513 718 HG21 THR 93 3HG2 THR 93 9.613 -2.430 11.651 719 HG22 THR 93 1HG2 THR 93 9.913 -2.481 9.911 720 HG23 THR 93 2HG2 THR 93 8.479 -1.650 10.509 721 H GLN 94 H GLN 94 6.116 -3.128 7.444 722 HA GLN 94 HA GLN 94 8.356 -3.403 5.458 723 HB2 GLN 94 1HB GLN 94 6.783 -3.129 3.674 724 HB3 GLN 94 2HB GLN 94 6.492 -4.448 4.749 725 HG2 GLN 94 1HG GLN 94 4.417 -3.568 4.018 726 HG3 GLN 94 2HG GLN 94 4.548 -3.454 5.741 727 HE21 GLN 94 1HE2 GLN 94 5.326 -1.240 3.008 728 HE22 GLN 94 2HE2 GLN 94 4.352 0.111 3.748 729 H THR 95 H THR 95 9.115 -1.740 6.958 730 HA THR 95 HA THR 95 8.717 0.804 7.325 731 HB THR 95 HB THR 95 11.601 0.025 6.783 732 HG1 THR 95 HG1 THR 95 10.739 -1.481 8.081 733 HG21 THR 95 3HG2 THR 95 11.896 1.557 8.852 734 HG22 THR 95 1HG2 THR 95 11.528 2.390 7.331 735 HG23 THR 95 2HG2 THR 95 10.268 2.189 8.527 736 H GLN 96 H GLN 96 8.036 2.490 6.138 737 HA GLN 96 HA GLN 96 8.530 2.406 3.244 738 HB2 GLN 96 1HB GLN 96 6.712 4.443 4.624 739 HB3 GLN 96 2HB GLN 96 6.910 4.158 2.916 740 HG2 GLN 96 1HG GLN 96 6.290 1.572 3.629 741 HG3 GLN 96 2HG GLN 96 5.624 2.360 5.028 742 HE21 GLN 96 1HE2 GLN 96 5.332 1.979 1.582 743 HE22 GLN 96 2HE2 GLN 96 3.605 2.629 1.478 744 H VAL 97 H VAL 97 9.856 3.564 2.047 745 HA VAL 97 HA VAL 97 11.608 5.712 3.387 746 HB VAL 97 HB VAL 97 12.248 3.482 1.368 747 HG11 VAL 97 1HG1 VAL 97 13.443 5.497 0.518 748 HG12 VAL 97 2HG1 VAL 97 13.896 5.944 2.175 749 HG13 VAL 97 3HG1 VAL 97 14.621 4.501 1.399 750 HG21 VAL 97 3HG2 VAL 97 13.893 2.798 3.080 751 HG22 VAL 97 1HG2 VAL 97 13.558 4.237 4.082 752 HG23 VAL 97 2HG2 VAL 97 12.329 2.974 3.905 753 H ASP 98 H ASP 98 9.915 7.142 2.907 754 HA ASP 98 HA ASP 98 9.085 7.806 0.205 755 HB2 ASP 98 1HB ASP 98 8.759 9.224 2.941 756 HB3 ASP 98 2HB ASP 98 7.743 9.506 1.567 757 HA PRO 99 HA PRO 99 11.924 11.512 -0.342 758 HB2 PRO 99 1HB PRO 99 10.233 13.632 -1.087 759 HB3 PRO 99 2HB PRO 99 10.748 12.310 -2.154 760 HG2 PRO 99 1HG PRO 99 8.139 12.457 -0.519 761 HG3 PRO 99 2HG PRO 99 8.305 12.125 -2.265 762 HD2 PRO 99 1HD PRO 99 8.030 10.070 -0.480 763 HD3 PRO 99 2HD PRO 99 9.170 9.881 -1.846 764 H LYS 100 H LYS 100 9.682 11.392 2.082 765 HA LYS 100 HA LYS 100 11.321 13.383 3.732 766 HB2 LYS 100 1HB LYS 100 8.382 13.200 3.614 767 HB3 LYS 100 2HB LYS 100 8.848 12.595 5.163 768 HG2 LYS 100 1HG LYS 100 9.734 15.322 4.019 769 HG3 LYS 100 2HG LYS 100 8.330 15.052 5.042 770 HD2 LYS 100 1HD LYS 100 9.853 14.095 6.868 771 HD3 LYS 100 2HD LYS 100 11.253 14.489 5.871 772 HE2 LYS 100 1HE LYS 100 10.482 16.965 5.848 773 HE3 LYS 100 2HE LYS 100 9.152 16.524 6.930 774 HZ1 LYS 100 3HZ LYS 100 10.882 15.675 8.556 775 HZ2 LYS 100 1HZ LYS 100 12.090 16.120 7.550 776 HZ3 LYS 100 2HZ LYS 100 11.147 17.273 8.248 777 H ASN 101 H ASN 101 10.919 10.073 3.240 778 HA ASN 101 HA ASN 101 11.138 8.125 4.441 779 HB2 ASN 101 1HB ASN 101 12.933 9.771 6.311 780 HB3 ASN 101 2HB ASN 101 12.723 8.041 6.400 781 HD21 ASN 101 1HD2 ASN 101 14.016 10.578 4.366 782 HD22 ASN 101 2HD2 ASN 101 14.998 9.401 3.348 783 H THR 102 H THR 102 9.625 6.992 5.421 784 HA THR 102 HA THR 102 8.109 8.147 7.786 785 HB THR 102 HB THR 102 7.641 5.540 6.241 786 HG1 THR 102 HG1 THR 102 7.102 7.132 4.789 787 HG21 THR 102 3HG2 THR 102 5.400 5.526 7.212 788 HG22 THR 102 1HG2 THR 102 6.528 5.636 8.582 789 HG23 THR 102 2HG2 THR 102 5.651 7.076 8.020 790 H THR 103 H THR 103 8.351 7.242 9.836 791 HA THR 103 HA THR 103 10.777 5.567 10.340 792 HB THR 103 HB THR 103 8.793 6.954 12.178 793 HG1 THR 103 HG1 THR 103 11.448 7.538 11.360 794 HG21 THR 103 3HG2 THR 103 11.562 5.783 12.930 795 HG22 THR 103 1HG2 THR 103 10.451 6.694 13.983 796 HG23 THR 103 2HG2 THR 103 10.004 5.080 13.400 797 H VAL 104 H VAL 104 10.683 3.559 11.444 798 HA VAL 104 HA VAL 104 9.446 1.499 10.292 799 HB VAL 104 HB VAL 104 9.620 0.072 12.280 800 HG11 VAL 104 1HG1 VAL 104 12.100 0.156 12.419 801 HG12 VAL 104 2HG1 VAL 104 11.525 0.312 10.759 802 HG13 VAL 104 3HG1 VAL 104 12.122 1.746 11.627 803 HG21 VAL 104 3HG2 VAL 104 9.208 1.700 14.186 804 HG22 VAL 104 1HG2 VAL 104 10.747 0.847 14.351 805 HG23 VAL 104 2HG2 VAL 104 10.722 2.536 13.799 806 H ILE 105 H ILE 105 7.328 1.406 9.551 807 HA ILE 105 HA ILE 105 5.098 1.711 11.480 808 HB ILE 105 HB ILE 105 3.631 1.637 9.701 809 HG12 ILE 105 1HG1 ILE 105 4.322 -0.052 8.126 810 HG13 ILE 105 2HG1 ILE 105 4.207 1.499 7.307 811 HG21 ILE 105 1HG2 ILE 105 4.279 3.623 8.451 812 HG22 ILE 105 2HG2 ILE 105 4.972 3.773 10.095 813 HG23 ILE 105 3HG2 ILE 105 6.003 3.353 8.749 814 HD11 ILE 105 3HD1 ILE 105 6.691 -0.104 7.981 815 HD12 ILE 105 1HD1 ILE 105 6.096 0.492 6.412 816 HD13 ILE 105 2HD1 ILE 105 6.790 1.633 7.589 817 H VAL 106 H VAL 106 6.124 -0.059 12.611 818 HA VAL 106 HA VAL 106 5.820 -2.787 12.162 819 HB VAL 106 HB VAL 106 5.348 -3.200 14.609 820 HG11 VAL 106 1HG1 VAL 106 7.600 -1.139 14.115 821 HG12 VAL 106 2HG1 VAL 106 7.465 -2.242 15.501 822 HG13 VAL 106 3HG1 VAL 106 7.723 -2.889 13.877 823 HG21 VAL 106 3HG2 VAL 106 5.492 -0.159 15.106 824 HG22 VAL 106 1HG2 VAL 106 3.949 -0.999 14.972 825 HG23 VAL 106 2HG2 VAL 106 5.100 -1.462 16.255 826 H ARG 107 H ARG 107 4.333 -4.250 11.878 827 HA ARG 107 HA ARG 107 1.354 -3.624 12.174 828 HB2 ARG 107 1HB ARG 107 3.016 -5.292 10.188 829 HB3 ARG 107 2HB ARG 107 1.280 -5.434 10.235 830 HG2 ARG 107 1HG ARG 107 0.922 -3.128 9.546 831 HG3 ARG 107 2HG ARG 107 2.621 -2.698 9.769 832 HD2 ARG 107 1HD ARG 107 3.317 -4.220 7.967 833 HD3 ARG 107 2HD ARG 107 1.690 -4.817 7.702 834 HE ARG 107 HE ARG 107 2.832 -2.137 6.847 835 HH11 ARG 107 1HH1 ARG 107 -0.128 -3.865 7.303 836 HH12 ARG 107 2HH1 ARG 107 -0.994 -2.861 6.040 837 HH21 ARG 107 1HH2 ARG 107 1.905 -1.068 5.464 838 HH22 ARG 107 2HH2 ARG 107 0.137 -1.305 5.047 839 H GLU 108 H GLU 108 0.683 -4.501 14.022 840 HA GLU 108 HA GLU 108 1.395 -7.428 14.636 841 HB2 GLU 108 1HB GLU 108 2.311 -5.659 16.089 842 HB3 GLU 108 2HB GLU 108 0.734 -4.986 16.418 843 HG2 GLU 108 1HG GLU 108 1.072 -7.912 17.250 844 HG3 GLU 108 2HG GLU 108 2.176 -6.789 17.980 845 H VAL 109 H VAL 109 -0.613 -8.007 16.393 846 HA VAL 109 HA VAL 109 -3.238 -7.287 15.581 847 HB VAL 109 HB VAL 109 -3.127 -8.507 13.603 848 HG11 VAL 109 1HG1 VAL 109 -1.435 -10.269 13.991 849 HG12 VAL 109 2HG1 VAL 109 -2.481 -11.050 15.193 850 HG13 VAL 109 3HG1 VAL 109 -2.934 -11.042 13.467 851 HG21 VAL 109 3HG2 VAL 109 -5.335 -8.513 14.767 852 HG22 VAL 109 1HG2 VAL 109 -5.118 -9.898 13.687 853 HG23 VAL 109 2HG2 VAL 109 -4.971 -10.109 15.446 854 H ASP 110 H ASP 110 -4.239 -7.257 17.448 855 HA ASP 110 HA ASP 110 -3.484 -9.278 19.574 856 HB2 ASP 110 1HB ASP 110 -3.827 -6.504 19.661 857 HB3 ASP 110 2HB ASP 110 -5.369 -7.010 20.268 858 H GLY 111 H GLY 111 -4.792 -10.565 17.737 859 HA2 GLY 111 1HA GLY 111 -6.547 -12.308 17.663 860 HA3 GLY 111 2HA GLY 111 -7.247 -11.643 19.122 861 H ASP 112 H ASP 112 -6.957 -11.169 15.682 862 HA ASP 112 HA ASP 112 -8.110 -9.888 14.089 863 HB2 ASP 112 1HB ASP 112 -10.560 -10.699 15.755 864 HB3 ASP 112 2HB ASP 112 -10.631 -10.017 14.136 865 H THR 113 H THR 113 -7.174 -8.294 16.287 866 HA THR 113 HA THR 113 -8.444 -5.747 15.389 867 HB THR 113 HB THR 113 -9.236 -6.007 17.674 868 HG1 THR 113 HG1 THR 113 -7.576 -3.740 17.480 869 HG21 THR 113 3HG2 THR 113 -7.903 -5.304 19.588 870 HG22 THR 113 1HG2 THR 113 -7.281 -6.835 18.954 871 HG23 THR 113 2HG2 THR 113 -6.395 -5.328 18.652 872 H MET 114 H MET 114 -7.089 -5.995 13.893 873 HA MET 114 HA MET 114 -4.222 -6.415 13.874 874 HB2 MET 114 1HB MET 114 -5.591 -6.980 12.058 875 HB3 MET 114 2HB MET 114 -6.317 -5.398 11.906 876 HG2 MET 114 1HG MET 114 -4.833 -5.768 10.095 877 HG3 MET 114 2HG MET 114 -4.181 -4.438 11.040 878 HE1 MET 114 3HE MET 114 -1.731 -4.466 10.377 879 HE2 MET 114 1HE MET 114 -1.847 -4.467 12.162 880 HE3 MET 114 2HE MET 114 -0.647 -5.505 11.361 881 H LYS 115 H LYS 115 -3.126 -5.206 15.149 882 HA LYS 115 HA LYS 115 -3.501 -2.216 15.442 883 HB2 LYS 115 1HB LYS 115 -3.524 -3.936 17.301 884 HB3 LYS 115 2HB LYS 115 -1.851 -4.353 16.940 885 HG2 LYS 115 1HG LYS 115 -1.404 -1.732 17.430 886 HG3 LYS 115 2HG LYS 115 -2.976 -1.789 18.221 887 HD2 LYS 115 1HD LYS 115 -0.513 -3.577 18.772 888 HD3 LYS 115 2HD LYS 115 -0.983 -2.202 19.760 889 HE2 LYS 115 1HE LYS 115 -3.016 -3.353 20.603 890 HE3 LYS 115 2HE LYS 115 -2.886 -4.599 19.367 891 HZ1 LYS 115 3HZ LYS 115 -0.707 -5.339 20.321 892 HZ2 LYS 115 1HZ LYS 115 -0.935 -4.352 21.642 893 HZ3 LYS 115 2HZ LYS 115 -2.018 -5.605 21.333 894 H THR 116 H THR 116 -2.448 -1.237 13.724 895 HA THR 116 HA THR 116 0.519 -1.830 13.365 896 HB THR 116 HB THR 116 -0.337 -2.695 11.447 897 HG1 THR 116 HG1 THR 116 1.552 -1.269 11.517 898 HG21 THR 116 3HG2 THR 116 -1.427 -1.504 9.627 899 HG22 THR 116 1HG2 THR 116 -2.496 -1.673 11.034 900 HG23 THR 116 2HG2 THR 116 -1.749 -0.113 10.675 901 H THR 117 H THR 117 1.465 -0.360 14.325 902 HA THR 117 HA THR 117 0.730 2.485 14.728 903 HB THR 117 HB THR 117 3.491 1.143 14.834 904 HG1 THR 117 HG1 THR 117 1.835 0.373 16.317 905 HG21 THR 117 3HG2 THR 117 4.095 2.988 16.437 906 HG22 THR 117 1HG2 THR 117 3.764 3.639 14.827 907 HG23 THR 117 2HG2 THR 117 2.537 3.792 16.106 908 H VAL 118 H VAL 118 0.714 3.980 13.032 909 HA VAL 118 HA VAL 118 3.289 3.961 11.398 910 HB VAL 118 HB VAL 118 1.487 3.911 10.066 911 HG11 VAL 118 1HG1 VAL 118 -0.338 5.082 11.378 912 HG12 VAL 118 2HG1 VAL 118 0.361 6.638 10.866 913 HG13 VAL 118 3HG1 VAL 118 -0.233 5.489 9.660 914 HG21 VAL 118 3HG2 VAL 118 2.489 6.810 9.704 915 HG22 VAL 118 1HG2 VAL 118 3.557 5.455 9.446 916 HG23 VAL 118 2HG2 VAL 118 2.095 5.621 8.447 917 H THR 119 H THR 119 4.895 4.780 12.503 918 HA THR 119 HA THR 119 4.527 7.538 13.793 919 HB THR 119 HB THR 119 5.271 5.923 15.405 920 HG1 THR 119 HG1 THR 119 7.311 6.858 15.917 921 HG21 THR 119 3HG2 THR 119 6.379 4.151 14.044 922 HG22 THR 119 1HG2 THR 119 7.675 5.258 13.596 923 HG23 THR 119 2HG2 THR 119 7.473 4.745 15.298 924 H VAL 120 H VAL 120 6.011 9.145 13.415 925 HA VAL 120 HA VAL 120 8.088 8.801 11.192 926 HB VAL 120 HB VAL 120 6.194 11.202 11.052 927 HG11 VAL 120 1HG1 VAL 120 8.388 11.461 9.896 928 HG12 VAL 120 2HG1 VAL 120 8.180 9.925 9.050 929 HG13 VAL 120 3HG1 VAL 120 7.112 11.279 8.673 930 HG21 VAL 120 3HG2 VAL 120 5.848 8.499 9.686 931 HG22 VAL 120 1HG2 VAL 120 4.736 9.348 10.775 932 HG23 VAL 120 2HG2 VAL 120 5.003 10.011 9.142 933 H GLY 121 H GLY 121 9.583 8.937 12.823 934 HA2 GLY 121 1HA GLY 121 10.983 9.913 14.513 935 HA3 GLY 121 2HA GLY 121 10.365 11.491 14.078 936 H ASP 122 H ASP 122 7.841 11.296 14.711 937 HA ASP 122 HA ASP 122 7.671 11.161 17.732 938 HB2 ASP 122 1HB ASP 122 7.634 13.704 17.887 939 HB3 ASP 122 2HB ASP 122 9.158 13.052 17.334 940 H VAL 123 H VAL 123 5.834 10.028 16.002 941 HA VAL 123 HA VAL 123 3.306 11.626 16.703 942 HB VAL 123 HB VAL 123 3.738 10.334 13.924 943 HG11 VAL 123 1HG1 VAL 123 1.313 11.803 15.232 944 HG12 VAL 123 2HG1 VAL 123 1.495 11.659 13.492 945 HG13 VAL 123 3HG1 VAL 123 1.317 10.193 14.482 946 HG21 VAL 123 3HG2 VAL 123 3.528 13.321 14.770 947 HG22 VAL 123 1HG2 VAL 123 4.965 12.527 14.105 948 HG23 VAL 123 2HG2 VAL 123 3.515 12.716 13.093 949 H THR 124 H THR 124 4.309 8.405 15.617 950 HA THR 124 HA THR 124 3.314 6.309 15.905 951 HB THR 124 HB THR 124 3.323 7.516 18.695 952 HG1 THR 124 HG1 THR 124 5.284 6.314 18.749 953 HG21 THR 124 3HG2 THR 124 3.557 5.282 19.680 954 HG22 THR 124 1HG2 THR 124 2.027 5.290 18.805 955 HG23 THR 124 2HG2 THR 124 3.443 4.486 18.107 956 H ALA 125 H ALA 125 1.555 6.586 14.522 957 HA ALA 125 HA ALA 125 -1.135 7.110 15.836 958 HB1 ALA 125 3HB ALA 125 -0.211 6.907 12.911 959 HB2 ALA 125 1HB ALA 125 -1.896 7.161 13.369 960 HB3 ALA 125 2HB ALA 125 -0.662 8.370 13.788 961 H ILE 126 H ILE 126 -1.386 5.338 17.022 962 HA ILE 126 HA ILE 126 -0.936 2.662 16.129 963 HB ILE 126 HB ILE 126 -0.737 3.483 18.392 964 HG12 ILE 126 1HG1 ILE 126 -1.739 1.438 19.584 965 HG13 ILE 126 2HG1 ILE 126 -2.467 0.952 18.058 966 HG21 ILE 126 1HG2 ILE 126 -3.799 3.336 18.734 967 HG22 ILE 126 2HG2 ILE 126 -2.586 3.560 20.011 968 HG23 ILE 126 3HG2 ILE 126 -2.783 4.801 18.778 969 HD11 ILE 126 3HD1 ILE 126 0.565 1.529 18.440 970 HD12 ILE 126 1HD1 ILE 126 -0.154 -0.084 18.590 971 HD13 ILE 126 2HD1 ILE 126 -0.188 0.756 17.021 972 H ARG 127 H ARG 127 -1.922 2.406 14.186 973 HA ARG 127 HA ARG 127 -4.785 2.820 13.820 974 HB2 ARG 127 1HB ARG 127 -3.043 1.212 11.916 975 HB3 ARG 127 2HB ARG 127 -4.643 1.832 11.592 976 HG2 ARG 127 1HG ARG 127 -3.920 4.154 11.660 977 HG3 ARG 127 2HG ARG 127 -2.330 3.752 12.279 978 HD2 ARG 127 1HD ARG 127 -3.367 2.832 9.512 979 HD3 ARG 127 2HD ARG 127 -2.399 4.293 9.809 980 HE ARG 127 HE ARG 127 -1.034 1.993 11.044 981 HH11 ARG 127 1HH1 ARG 127 -1.618 3.357 7.903 982 HH12 ARG 127 2HH1 ARG 127 -0.147 2.540 7.181 983 HH21 ARG 127 1HH2 ARG 127 0.538 0.955 10.171 984 HH22 ARG 127 2HH2 ARG 127 1.021 1.259 8.444 985 H ASN 128 H ASN 128 -6.264 1.555 14.709 986 HA ASN 128 HA ASN 128 -5.892 -1.471 14.898 987 HB2 ASN 128 1HB ASN 128 -7.807 0.500 16.232 988 HB3 ASN 128 2HB ASN 128 -8.330 -1.131 16.033 989 HD21 ASN 128 1HD2 ASN 128 -6.564 0.857 18.135 990 HD22 ASN 128 2HD2 ASN 128 -5.876 -0.558 19.074 991 H TYR 129 H TYR 129 -6.646 -2.646 13.353 992 HA TYR 129 HA TYR 129 -9.070 -1.823 11.664 993 HB2 TYR 129 1HB TYR 129 -6.541 -3.491 10.965 994 HB3 TYR 129 2HB TYR 129 -7.924 -3.384 9.928 995 HD1 TYR 129 HD1 TYR 129 -8.378 -1.352 8.617 996 HD2 TYR 129 HD2 TYR 129 -4.869 -1.618 11.073 997 HE1 TYR 129 HE1 TYR 129 -7.256 0.181 7.125 998 HE2 TYR 129 HE2 TYR 129 -3.718 -0.043 9.526 999 HH TYR 129 HH TYR 129 -5.188 0.732 6.426 1000 H LYS 130 H LYS 130 -10.399 -3.571 10.947 1001 HA LYS 130 HA LYS 130 -10.331 -6.077 12.738 1002 HB2 LYS 130 1HB LYS 130 -12.606 -4.479 11.581 1003 HB3 LYS 130 2HB LYS 130 -12.718 -6.163 11.191 1004 HG2 LYS 130 1HG LYS 130 -13.945 -5.925 13.120 1005 HG3 LYS 130 2HG LYS 130 -12.540 -6.836 13.606 1006 HD2 LYS 130 1HD LYS 130 -12.792 -3.773 14.037 1007 HD3 LYS 130 2HD LYS 130 -13.527 -4.939 15.123 1008 HE2 LYS 130 1HE LYS 130 -11.256 -6.000 15.585 1009 HE3 LYS 130 2HE LYS 130 -10.493 -4.807 14.546 1010 HZ1 LYS 130 3HZ LYS 130 -10.353 -3.960 16.791 1011 HZ2 LYS 130 1HZ LYS 130 -11.497 -3.011 16.050 1012 HZ3 LYS 130 2HZ LYS 130 -11.959 -4.190 17.096 1013 H ARG 131 H ARG 131 -9.870 -7.964 11.923 1014 HA ARG 131 HA ARG 131 -8.682 -8.154 9.170 1015 HB2 ARG 131 1HB ARG 131 -7.672 -9.157 11.309 1016 HB3 ARG 131 2HB ARG 131 -9.044 -10.245 11.406 1017 HG2 ARG 131 1HG ARG 131 -8.204 -10.900 8.858 1018 HG3 ARG 131 2HG ARG 131 -6.690 -10.245 9.438 1019 HD2 ARG 131 1HD ARG 131 -8.370 -12.447 10.849 1020 HD3 ARG 131 2HD ARG 131 -7.137 -12.793 9.660 1021 HE ARG 131 HE ARG 131 -5.418 -11.645 11.254 1022 HH11 ARG 131 1HH1 ARG 131 -8.196 -13.021 12.842 1023 HH12 ARG 131 2HH1 ARG 131 -7.138 -14.132 13.825 1024 HH21 ARG 131 1HH2 ARG 131 -4.254 -12.937 12.402 1025 HH22 ARG 131 2HH2 ARG 131 -5.040 -13.991 13.648 1026 H LEU 132 H LEU 132 -10.109 -8.326 7.523 1027 HA LEU 132 HA LEU 132 -12.612 -10.043 7.845 1028 HB2 LEU 132 1HB LEU 132 -12.098 -7.569 6.102 1029 HB3 LEU 132 2HB LEU 132 -13.605 -8.495 6.149 1030 HG LEU 132 HG LEU 132 -12.330 -6.743 8.306 1031 HD11 LEU 132 1HD1 LEU 132 -13.720 -5.666 6.433 1032 HD12 LEU 132 2HD1 LEU 132 -15.118 -6.625 6.937 1033 HD13 LEU 132 3HD1 LEU 132 -14.432 -5.407 8.035 1034 HD21 LEU 132 3HD2 LEU 132 -13.314 -8.618 9.612 1035 HD22 LEU 132 1HD2 LEU 132 -14.384 -7.222 9.763 1036 HD23 LEU 132 2HD2 LEU 132 -14.827 -8.557 8.677 1037 H SER 133 H SER 133 -13.218 -11.438 6.345 1038 HA SER 133 HA SER 133 -11.255 -12.708 4.652 1039 HB2 SER 133 1HB SER 133 -14.322 -13.088 4.628 1040 HB3 SER 133 2HB SER 133 -13.146 -14.203 3.926 1041 HG SER 133 HG SER 133 -12.250 -14.484 6.019 1042 HXT SER 133 HXT SER 133 -11.620 -12.111 2.435 Start of MODEL 9 1 H1 MET 1 1H MET 1 4.155 -14.733 9.669 2 H2 MET 1 2H MET 1 2.654 -14.663 10.318 3 HA MET 1 HA MET 1 2.733 -13.307 8.388 4 HB2 MET 1 1HB MET 1 4.714 -14.665 7.477 5 HB3 MET 1 2HB MET 1 3.571 -15.855 6.872 6 HG2 MET 1 1HG MET 1 4.260 -14.336 5.103 7 HG3 MET 1 2HG MET 1 2.529 -14.087 5.395 8 HE1 MET 1 3HE MET 1 1.852 -11.729 4.905 9 HE2 MET 1 1HE MET 1 1.541 -11.869 6.650 10 HE3 MET 1 2HE MET 1 2.293 -10.392 6.002 11 H SER 2 H SER 2 1.564 -16.691 8.147 12 HA SER 2 HA SER 2 -0.957 -16.049 6.860 13 HB2 SER 2 1HB SER 2 -0.285 -18.431 8.704 14 HB3 SER 2 2HB SER 2 -1.752 -18.303 7.720 15 HG SER 2 HG SER 2 -0.087 -19.447 6.651 16 H SER 3 H SER 3 -0.215 -15.649 10.226 17 HA SER 3 HA SER 3 -2.723 -15.062 11.499 18 HB2 SER 3 1HB SER 3 -0.200 -13.271 11.498 19 HB3 SER 3 2HB SER 3 -1.470 -13.303 12.728 20 HG SER 3 HG SER 3 0.733 -14.740 12.637 21 H PHE 4 H PHE 4 -1.201 -13.194 8.907 22 HA PHE 4 HA PHE 4 -3.122 -10.868 9.267 23 HB2 PHE 4 1HB PHE 4 -0.547 -11.159 7.581 24 HB3 PHE 4 2HB PHE 4 -1.453 -9.679 7.769 25 HD1 PHE 4 HD1 PHE 4 -1.990 -9.080 10.435 26 HD2 PHE 4 HD2 PHE 4 1.421 -11.273 8.980 27 HE1 PHE 4 HE1 PHE 4 -0.699 -8.429 12.435 28 HE2 PHE 4 HE2 PHE 4 2.694 -10.598 10.975 29 HZ PHE 4 HZ PHE 4 1.621 -9.133 12.688 30 H LEU 5 H LEU 5 -3.268 -13.547 7.215 31 HA LEU 5 HA LEU 5 -3.515 -12.199 4.658 32 HB2 LEU 5 1HB LEU 5 -4.281 -15.040 5.428 33 HB3 LEU 5 2HB LEU 5 -4.321 -14.403 3.791 34 HG LEU 5 HG LEU 5 -1.773 -14.377 5.523 35 HD11 LEU 5 1HD1 LEU 5 -1.068 -16.414 4.249 36 HD12 LEU 5 2HD1 LEU 5 -2.568 -16.744 5.124 37 HD13 LEU 5 3HD1 LEU 5 -2.615 -16.446 3.371 38 HD21 LEU 5 3HD2 LEU 5 -0.563 -14.133 3.345 39 HD22 LEU 5 1HD2 LEU 5 -2.105 -14.013 2.474 40 HD23 LEU 5 2HD2 LEU 5 -1.623 -12.753 3.627 41 H GLY 6 H GLY 6 -5.143 -11.100 3.860 42 HA2 GLY 6 1HA GLY 6 -7.826 -11.406 3.491 43 HA3 GLY 6 2HA GLY 6 -7.850 -11.098 5.236 44 H LYS 7 H LYS 7 -9.314 -9.493 4.127 45 HA LYS 7 HA LYS 7 -7.906 -6.946 3.329 46 HB2 LYS 7 1HB LYS 7 -9.944 -5.845 2.838 47 HB3 LYS 7 2HB LYS 7 -9.672 -7.202 1.817 48 HG2 LYS 7 1HG LYS 7 -11.637 -7.361 4.181 49 HG3 LYS 7 2HG LYS 7 -12.050 -6.645 2.634 50 HD2 LYS 7 1HD LYS 7 -11.425 -8.786 1.430 51 HD3 LYS 7 2HD LYS 7 -11.086 -9.565 2.974 52 HE2 LYS 7 1HE LYS 7 -13.488 -9.175 3.719 53 HE3 LYS 7 2HE LYS 7 -13.834 -8.361 2.183 54 HZ1 LYS 7 3HZ LYS 7 -14.444 -10.735 1.941 55 HZ2 LYS 7 1HZ LYS 7 -13.084 -10.523 1.040 56 HZ3 LYS 7 2HZ LYS 7 -12.992 -11.265 2.505 57 H TRP 8 H TRP 8 -7.895 -5.100 4.619 58 HA TRP 8 HA TRP 8 -8.621 -5.682 7.527 59 HB2 TRP 8 1HB TRP 8 -6.391 -3.814 6.471 60 HB3 TRP 8 2HB TRP 8 -6.774 -4.138 8.156 61 HD1 TRP 8 HD1 TRP 8 -6.545 -7.632 6.641 62 HE1 TRP 8 HE1 TRP 8 -4.125 -8.637 6.733 63 HE3 TRP 8 HE3 TRP 8 -4.125 -3.254 7.819 64 HZ2 TRP 8 HZ2 TRP 8 -1.549 -7.499 7.146 65 HZ3 TRP 8 HZ3 TRP 8 -1.657 -3.268 7.914 66 HH2 TRP 8 HH2 TRP 8 -0.384 -5.366 7.580 67 H LYS 9 H LYS 9 -10.217 -4.367 8.209 68 HA LYS 9 HA LYS 9 -10.652 -1.689 6.780 69 HB2 LYS 9 1HB LYS 9 -12.829 -3.438 8.089 70 HB3 LYS 9 2HB LYS 9 -13.021 -1.741 7.658 71 HG2 LYS 9 1HG LYS 9 -12.199 -2.490 5.221 72 HG3 LYS 9 2HG LYS 9 -12.601 -4.113 5.741 73 HD2 LYS 9 1HD LYS 9 -14.471 -1.643 5.688 74 HD3 LYS 9 2HD LYS 9 -14.388 -2.881 4.445 75 HE2 LYS 9 1HE LYS 9 -15.204 -4.641 6.079 76 HE3 LYS 9 2HE LYS 9 -15.262 -3.439 7.372 77 HZ1 LYS 9 3HZ LYS 9 -16.895 -2.130 6.006 78 HZ2 LYS 9 1HZ LYS 9 -16.847 -3.235 4.801 79 HZ3 LYS 9 2HZ LYS 9 -17.493 -3.639 6.258 80 H LEU 10 H LEU 10 -10.380 0.005 8.021 81 HA LEU 10 HA LEU 10 -9.142 -0.193 10.555 82 HB2 LEU 10 1HB LEU 10 -8.875 1.617 8.782 83 HB3 LEU 10 2HB LEU 10 -10.388 2.327 9.339 84 HG LEU 10 HG LEU 10 -9.292 2.517 11.695 85 HD11 LEU 10 1HD1 LEU 10 -7.329 0.938 11.333 86 HD12 LEU 10 2HD1 LEU 10 -6.686 2.019 10.085 87 HD13 LEU 10 3HD1 LEU 10 -6.812 2.562 11.780 88 HD21 LEU 10 3HD2 LEU 10 -9.602 4.484 10.196 89 HD22 LEU 10 1HD2 LEU 10 -8.060 4.597 11.060 90 HD23 LEU 10 2HD2 LEU 10 -8.078 4.126 9.345 91 H SER 11 H SER 11 -9.809 -0.170 12.588 92 HA SER 11 HA SER 11 -12.746 -0.163 13.263 93 HB2 SER 11 1HB SER 11 -11.331 -2.127 13.906 94 HB3 SER 11 2HB SER 11 -10.381 -1.097 14.982 95 HG SER 11 HG SER 11 -12.534 -0.521 15.920 96 H GLU 12 H GLU 12 -9.690 1.469 14.143 97 HA GLU 12 HA GLU 12 -11.265 3.889 14.698 98 HB2 GLU 12 1HB GLU 12 -10.415 4.477 16.914 99 HB3 GLU 12 2HB GLU 12 -11.447 3.068 16.900 100 HG2 GLU 12 1HG GLU 12 -9.779 2.496 18.425 101 HG3 GLU 12 2HG GLU 12 -9.386 1.584 16.995 102 H SER 13 H SER 13 -10.104 5.754 14.755 103 HA SER 13 HA SER 13 -7.283 5.651 13.564 104 HB2 SER 13 1HB SER 13 -8.879 6.602 11.926 105 HB3 SER 13 2HB SER 13 -9.560 7.706 13.136 106 HG SER 13 HG SER 13 -8.089 8.836 11.929 107 H HIS 14 H HIS 14 -6.066 5.898 15.368 108 HA HIS 14 HA HIS 14 -6.937 7.643 17.608 109 HB2 HIS 14 1HB HIS 14 -5.666 5.315 17.643 110 HB3 HIS 14 2HB HIS 14 -4.207 6.266 17.530 111 HD1 HIS 14 HD1 HIS 14 -4.152 8.343 19.634 112 HD2 HIS 14 HD2 HIS 14 -6.777 4.972 20.013 113 HE1 HIS 14 HE1 HIS 14 -4.810 8.021 22.116 114 HE2 HIS 14 HE2 HIS 14 -6.439 6.032 22.434 115 H ASN 15 H ASN 15 -4.176 7.863 15.375 116 HA ASN 15 HA ASN 15 -4.661 10.766 15.321 117 HB2 ASN 15 1HB ASN 15 -2.836 10.441 17.185 118 HB3 ASN 15 2HB ASN 15 -1.732 9.962 15.919 119 HD21 ASN 15 1HD2 ASN 15 -3.735 12.644 17.092 120 HD22 ASN 15 2HD2 ASN 15 -2.673 13.914 16.283 121 H PHE 16 H PHE 16 -5.215 8.794 13.416 122 HA PHE 16 HA PHE 16 -3.070 8.948 11.358 123 HB2 PHE 16 1HB PHE 16 -4.565 6.929 11.824 124 HB3 PHE 16 2HB PHE 16 -5.870 7.760 11.001 125 HD1 PHE 16 HD1 PHE 16 -2.273 6.799 10.501 126 HD2 PHE 16 HD2 PHE 16 -6.085 7.405 8.633 127 HE1 PHE 16 HE1 PHE 16 -1.314 6.109 8.305 128 HE2 PHE 16 HE2 PHE 16 -5.173 6.632 6.483 129 HZ PHE 16 HZ PHE 16 -2.791 5.981 6.302 130 H ASP 17 H ASP 17 -3.155 11.279 11.523 131 HA ASP 17 HA ASP 17 -4.113 12.316 8.893 132 HB2 ASP 17 1HB ASP 17 -6.059 12.817 10.353 133 HB3 ASP 17 2HB ASP 17 -5.014 13.718 11.423 134 H ALA 18 H ALA 18 -2.503 13.323 11.930 135 HA ALA 18 HA ALA 18 -0.730 15.303 10.534 136 HB1 ALA 18 3HB ALA 18 -1.532 15.659 12.944 137 HB2 ALA 18 1HB ALA 18 -0.502 14.281 13.426 138 HB3 ALA 18 2HB ALA 18 0.228 15.741 12.745 139 H VAL 19 H VAL 19 -0.568 11.978 11.438 140 HA VAL 19 HA VAL 19 2.251 11.382 11.004 141 HB VAL 19 HB VAL 19 0.441 9.885 11.942 142 HG11 VAL 19 1HG1 VAL 19 -0.889 8.448 10.637 143 HG12 VAL 19 2HG1 VAL 19 -1.305 10.108 10.164 144 HG13 VAL 19 3HG1 VAL 19 -0.316 9.093 9.083 145 HG21 VAL 19 3HG2 VAL 19 2.621 8.940 11.558 146 HG22 VAL 19 1HG2 VAL 19 1.467 7.759 10.981 147 HG23 VAL 19 2HG2 VAL 19 2.333 8.736 9.800 148 H MET 20 H MET 20 -0.331 11.875 8.730 149 HA MET 20 HA MET 20 1.400 11.416 6.320 150 HB2 MET 20 1HB MET 20 -1.583 12.169 6.757 151 HB3 MET 20 2HB MET 20 -0.864 12.350 5.192 152 HG2 MET 20 1HG MET 20 -0.299 9.898 5.088 153 HG3 MET 20 2HG MET 20 -1.066 9.661 6.673 154 HE1 MET 20 3HE MET 20 -3.552 8.475 3.612 155 HE2 MET 20 1HE MET 20 -1.806 8.728 3.341 156 HE3 MET 20 2HE MET 20 -2.367 7.865 4.803 157 H SER 21 H SER 21 -0.389 14.166 7.770 158 HA SER 21 HA SER 21 0.745 16.116 5.965 159 HB2 SER 21 1HB SER 21 -1.306 16.383 7.556 160 HB3 SER 21 2HB SER 21 -0.177 16.773 8.842 161 HG SER 21 HG SER 21 0.690 18.404 7.304 162 H LYS 22 H LYS 22 2.220 14.965 9.005 163 HA LYS 22 HA LYS 22 4.409 16.936 8.979 164 HB2 LYS 22 1HB LYS 22 3.910 15.789 10.992 165 HB3 LYS 22 2HB LYS 22 4.038 14.213 10.244 166 HG2 LYS 22 1HG LYS 22 6.410 14.308 9.997 167 HG3 LYS 22 2HG LYS 22 6.511 16.026 10.332 168 HD2 LYS 22 1HD LYS 22 5.697 13.838 12.344 169 HD3 LYS 22 2HD LYS 22 7.321 14.450 12.173 170 HE2 LYS 22 1HE LYS 22 6.574 16.769 12.861 171 HE3 LYS 22 2HE LYS 22 4.911 16.200 13.043 172 HZ1 LYS 22 3HZ LYS 22 7.280 15.113 14.676 173 HZ2 LYS 22 1HZ LYS 22 6.147 16.098 15.246 174 HZ3 LYS 22 2HZ LYS 22 5.774 14.564 14.827 175 H LEU 23 H LEU 23 4.053 13.842 7.388 176 HA LEU 23 HA LEU 23 6.685 13.952 6.000 177 HB2 LEU 23 1HB LEU 23 5.137 11.824 6.394 178 HB3 LEU 23 2HB LEU 23 4.233 12.402 5.031 179 HG LEU 23 HG LEU 23 6.895 12.568 4.029 180 HD11 LEU 23 1HD1 LEU 23 6.781 10.028 5.801 181 HD12 LEU 23 2HD1 LEU 23 8.087 10.508 4.702 182 HD13 LEU 23 3HD1 LEU 23 7.768 11.461 6.156 183 HD21 LEU 23 3HD2 LEU 23 6.341 10.605 2.714 184 HD22 LEU 23 1HD2 LEU 23 5.092 10.072 3.859 185 HD23 LEU 23 2HD2 LEU 23 4.870 11.558 2.898 186 H GLY 24 H GLY 24 3.349 14.848 5.170 187 HA2 GLY 24 1HA GLY 24 3.119 17.187 4.198 188 HA3 GLY 24 2HA GLY 24 4.449 16.864 3.109 189 H VAL 25 H VAL 25 1.345 15.442 3.922 190 HA VAL 25 HA VAL 25 0.976 14.457 1.147 191 HB VAL 25 HB VAL 25 -0.608 13.999 3.753 192 HG11 VAL 25 1HG1 VAL 25 -2.036 13.411 1.719 193 HG12 VAL 25 2HG1 VAL 25 -0.750 12.360 1.116 194 HG13 VAL 25 3HG1 VAL 25 -1.573 11.986 2.660 195 HG21 VAL 25 3HG2 VAL 25 0.671 11.716 3.624 196 HG22 VAL 25 1HG2 VAL 25 1.547 12.329 2.201 197 HG23 VAL 25 2HG2 VAL 25 1.779 13.095 3.772 198 H SER 26 H SER 26 -0.404 15.012 -0.309 199 HA SER 26 HA SER 26 -1.297 17.639 -0.482 200 HB2 SER 26 1HB SER 26 -2.365 15.273 -2.157 201 HB3 SER 26 2HB SER 26 -2.457 16.971 -2.619 202 HG SER 26 HG SER 26 -0.066 15.399 -2.190 203 H TRP 27 H TRP 27 -3.212 18.778 -0.686 204 HA TRP 27 HA TRP 27 -5.256 18.121 1.346 205 HB2 TRP 27 1HB TRP 27 -4.873 20.535 -0.527 206 HB3 TRP 27 2HB TRP 27 -6.224 20.418 0.582 207 HD1 TRP 27 HD1 TRP 27 -2.382 21.148 0.676 208 HE1 TRP 27 HE1 TRP 27 -1.648 21.951 3.068 209 HE3 TRP 27 HE3 TRP 27 -6.792 20.060 3.063 210 HZ2 TRP 27 HZ2 TRP 27 -2.956 22.044 5.605 211 HZ3 TRP 27 HZ3 TRP 27 -6.974 20.492 5.477 212 HH2 TRP 27 HH2 TRP 27 -5.111 21.509 6.736 213 H ALA 28 H ALA 28 -5.770 16.266 0.190 214 HA ALA 28 HA ALA 28 -8.575 16.013 -0.488 215 HB1 ALA 28 3HB ALA 28 -6.734 15.754 -2.981 216 HB2 ALA 28 1HB ALA 28 -8.435 15.232 -2.884 217 HB3 ALA 28 2HB ALA 28 -8.030 16.948 -2.763 218 H THR 29 H THR 29 -5.367 14.616 -1.120 219 HA THR 29 HA THR 29 -6.226 11.810 -0.549 220 HB THR 29 HB THR 29 -3.791 11.237 -0.764 221 HG1 THR 29 HG1 THR 29 -2.443 13.020 -1.540 222 HG21 THR 29 3HG2 THR 29 -4.810 13.048 -3.041 223 HG22 THR 29 1HG2 THR 29 -3.407 11.999 -3.145 224 HG23 THR 29 2HG2 THR 29 -5.014 11.289 -2.887 225 H ARG 30 H ARG 30 -4.652 14.337 1.297 226 HA ARG 30 HA ARG 30 -4.153 12.692 3.703 227 HB2 ARG 30 1HB ARG 30 -3.072 14.951 3.126 228 HB3 ARG 30 2HB ARG 30 -4.621 15.703 3.375 229 HG2 ARG 30 1HG ARG 30 -4.332 14.392 5.834 230 HG3 ARG 30 2HG ARG 30 -2.647 14.472 5.369 231 HD2 ARG 30 1HD ARG 30 -2.513 16.787 5.474 232 HD3 ARG 30 2HD ARG 30 -4.198 17.080 5.024 233 HE ARG 30 HE ARG 30 -4.496 15.837 7.576 234 HH11 ARG 30 1HH1 ARG 30 -2.827 18.684 6.413 235 HH12 ARG 30 2HH1 ARG 30 -3.226 19.615 7.935 236 HH21 ARG 30 1HH2 ARG 30 -4.887 16.915 9.324 237 HH22 ARG 30 2HH2 ARG 30 -4.338 18.663 9.458 238 H GLN 31 H GLN 31 -6.967 13.933 2.213 239 HA GLN 31 HA GLN 31 -8.673 14.129 4.713 240 HB2 GLN 31 1HB GLN 31 -9.192 14.988 1.803 241 HB3 GLN 31 2HB GLN 31 -10.506 14.715 2.919 242 HG2 GLN 31 1HG GLN 31 -10.233 16.967 3.111 243 HG3 GLN 31 2HG GLN 31 -9.464 16.400 4.564 244 HE21 GLN 31 1HE2 GLN 31 -6.945 16.170 4.212 245 HE22 GLN 31 2HE2 GLN 31 -6.235 17.608 3.321 246 H ILE 32 H ILE 32 -8.344 12.202 1.749 247 HA ILE 32 HA ILE 32 -10.395 10.160 2.587 248 HB ILE 32 HB ILE 32 -8.526 10.527 0.244 249 HG12 ILE 32 1HG1 ILE 32 -10.533 9.574 -0.993 250 HG13 ILE 32 2HG1 ILE 32 -11.384 9.377 0.522 251 HG21 ILE 32 1HG2 ILE 32 -7.744 8.238 0.854 252 HG22 ILE 32 2HG2 ILE 32 -9.412 7.658 0.973 253 HG23 ILE 32 3HG2 ILE 32 -8.753 8.196 -0.591 254 HD11 ILE 32 3HD1 ILE 32 -10.397 12.043 -0.690 255 HD12 ILE 32 1HD1 ILE 32 -12.072 11.449 -0.718 256 HD13 ILE 32 2HD1 ILE 32 -11.324 11.928 0.822 257 H GLY 33 H GLY 33 -6.959 10.625 2.965 258 HA2 GLY 33 1HA GLY 33 -6.157 8.296 4.558 259 HA3 GLY 33 2HA GLY 33 -5.571 9.926 4.835 260 H ASN 34 H ASN 34 -7.510 11.363 5.890 261 HA ASN 34 HA ASN 34 -8.336 9.945 8.396 262 HB2 ASN 34 1HB ASN 34 -8.801 12.121 9.290 263 HB3 ASN 34 2HB ASN 34 -7.260 12.156 8.476 264 HD21 ASN 34 1HD2 ASN 34 -7.106 14.327 7.863 265 HD22 ASN 34 2HD2 ASN 34 -8.518 15.194 7.049 266 H THR 35 H THR 35 -9.803 9.147 5.972 267 HA THR 35 HA THR 35 -12.632 9.529 6.979 268 HB THR 35 HB THR 35 -11.753 10.423 4.182 269 HG1 THR 35 HG1 THR 35 -11.230 12.014 5.502 270 HG21 THR 35 3HG2 THR 35 -14.538 10.696 5.479 271 HG22 THR 35 1HG2 THR 35 -14.033 11.317 3.889 272 HG23 THR 35 2HG2 THR 35 -14.147 9.568 4.158 273 H VAL 36 H VAL 36 -10.895 8.190 4.097 274 HA VAL 36 HA VAL 36 -12.933 5.950 4.205 275 HB VAL 36 HB VAL 36 -11.334 6.812 1.737 276 HG11 VAL 36 1HG1 VAL 36 -13.014 5.386 0.533 277 HG12 VAL 36 2HG1 VAL 36 -12.247 4.405 1.792 278 HG13 VAL 36 3HG1 VAL 36 -13.882 5.051 2.043 279 HG21 VAL 36 3HG2 VAL 36 -13.653 7.746 0.942 280 HG22 VAL 36 1HG2 VAL 36 -14.101 7.759 2.685 281 HG23 VAL 36 2HG2 VAL 36 -12.746 8.709 2.128 282 H THR 37 H THR 37 -11.986 4.496 5.350 283 HA THR 37 HA THR 37 -9.644 3.897 6.213 284 HB THR 37 HB THR 37 -10.063 1.586 6.565 285 HG1 THR 37 HG1 THR 37 -10.786 1.386 4.172 286 HG21 THR 37 3HG2 THR 37 -12.171 1.645 7.652 287 HG22 THR 37 1HG2 THR 37 -11.900 3.402 7.406 288 HG23 THR 37 2HG2 THR 37 -12.961 2.508 6.321 289 HA PRO 38 HA PRO 38 -6.739 2.566 2.840 290 HB2 PRO 38 1HB PRO 38 -4.499 1.945 4.348 291 HB3 PRO 38 2HB PRO 38 -5.047 3.590 3.953 292 HG2 PRO 38 1HG PRO 38 -5.562 2.025 6.539 293 HG3 PRO 38 2HG PRO 38 -4.972 3.695 6.391 294 HD2 PRO 38 1HD PRO 38 -7.636 3.092 6.871 295 HD3 PRO 38 2HD PRO 38 -7.188 4.520 5.880 296 H THR 39 H THR 39 -8.067 0.911 2.219 297 HA THR 39 HA THR 39 -8.395 -1.569 3.665 298 HB THR 39 HB THR 39 -9.010 -1.041 0.719 299 HG1 THR 39 HG1 THR 39 -10.379 0.316 1.198 300 HG21 THR 39 3HG2 THR 39 -10.527 -2.730 2.818 301 HG22 THR 39 1HG2 THR 39 -11.084 -2.388 1.163 302 HG23 THR 39 2HG2 THR 39 -9.618 -3.352 1.408 303 H VAL 40 H VAL 40 -5.972 -1.785 3.733 304 HA VAL 40 HA VAL 40 -4.509 -2.636 1.357 305 HB VAL 40 HB VAL 40 -2.514 -2.923 2.766 306 HG11 VAL 40 1HG1 VAL 40 -3.059 -0.756 1.655 307 HG12 VAL 40 2HG1 VAL 40 -3.976 -0.221 3.079 308 HG13 VAL 40 3HG1 VAL 40 -2.220 -0.487 3.192 309 HG21 VAL 40 3HG2 VAL 40 -3.477 -3.501 5.013 310 HG22 VAL 40 1HG2 VAL 40 -2.425 -2.083 5.091 311 HG23 VAL 40 2HG2 VAL 40 -4.191 -1.883 5.151 312 H THR 41 H THR 41 -5.408 -4.359 0.586 313 HA THR 41 HA THR 41 -6.242 -6.577 2.299 314 HB THR 41 HB THR 41 -6.709 -5.964 -0.632 315 HG1 THR 41 HG1 THR 41 -7.639 -4.556 0.786 316 HG21 THR 41 3HG2 THR 41 -7.901 -8.262 1.018 317 HG22 THR 41 1HG2 THR 41 -8.672 -7.554 -0.430 318 HG23 THR 41 2HG2 THR 41 -7.091 -8.341 -0.551 319 H PHE 42 H PHE 42 -4.911 -7.977 2.938 320 HA PHE 42 HA PHE 42 -2.326 -8.285 1.395 321 HB2 PHE 42 1HB PHE 42 -2.863 -7.445 3.959 322 HB3 PHE 42 2HB PHE 42 -2.743 -9.133 4.328 323 HD1 PHE 42 HD1 PHE 42 -0.397 -10.116 2.699 324 HD2 PHE 42 HD2 PHE 42 -0.978 -6.304 4.629 325 HE1 PHE 42 HE1 PHE 42 2.010 -9.941 3.105 326 HE2 PHE 42 HE2 PHE 42 1.448 -6.135 5.002 327 HZ PHE 42 HZ PHE 42 2.948 -7.973 4.275 328 H THR 43 H THR 43 -2.468 -9.907 0.077 329 HA THR 43 HA THR 43 -3.535 -12.625 0.987 330 HB THR 43 HB THR 43 -4.686 -12.758 -1.188 331 HG1 THR 43 HG1 THR 43 -3.634 -10.148 -1.609 332 HG21 THR 43 3HG2 THR 43 -5.478 -9.961 -0.233 333 HG22 THR 43 1HG2 THR 43 -6.509 -11.291 -0.787 334 HG23 THR 43 2HG2 THR 43 -5.748 -11.330 0.838 335 H MET 44 H MET 44 -2.563 -14.472 0.214 336 HA MET 44 HA MET 44 0.081 -14.205 -1.167 337 HB2 MET 44 1HB MET 44 -0.356 -15.803 0.743 338 HB3 MET 44 2HB MET 44 -1.374 -16.777 -0.320 339 HG2 MET 44 1HG MET 44 0.669 -17.112 -1.869 340 HG3 MET 44 2HG MET 44 1.631 -16.148 -0.750 341 HE1 MET 44 3HE MET 44 0.177 -20.484 -0.167 342 HE2 MET 44 1HE MET 44 -0.936 -19.231 -0.791 343 HE3 MET 44 2HE MET 44 0.544 -19.650 -1.702 344 H ASP 45 H ASP 45 0.076 -13.825 -3.299 345 HA ASP 45 HA ASP 45 -2.062 -14.965 -5.139 346 HB2 ASP 45 1HB ASP 45 -1.450 -12.515 -5.116 347 HB3 ASP 45 2HB ASP 45 0.179 -12.911 -5.659 348 H GLY 46 H GLY 46 -1.306 -17.080 -4.793 349 HA2 GLY 46 1HA GLY 46 -0.415 -19.073 -5.901 350 HA3 GLY 46 2HA GLY 46 0.599 -18.074 -6.917 351 H ASP 47 H ASP 47 2.277 -16.904 -5.565 352 HA ASP 47 HA ASP 47 3.733 -18.830 -3.697 353 HB2 ASP 47 1HB ASP 47 4.885 -18.718 -5.896 354 HB3 ASP 47 2HB ASP 47 4.983 -16.964 -5.819 355 H LYS 48 H LYS 48 3.556 -15.392 -4.637 356 HA LYS 48 HA LYS 48 4.429 -14.664 -1.823 357 HB2 LYS 48 1HB LYS 48 5.807 -13.028 -2.742 358 HB3 LYS 48 2HB LYS 48 6.072 -14.534 -3.584 359 HG2 LYS 48 1HG LYS 48 4.830 -13.679 -5.583 360 HG3 LYS 48 2HG LYS 48 4.450 -12.170 -4.744 361 HD2 LYS 48 1HD LYS 48 6.813 -11.553 -4.545 362 HD3 LYS 48 2HD LYS 48 7.372 -13.121 -5.106 363 HE2 LYS 48 1HE LYS 48 5.722 -11.199 -6.885 364 HE3 LYS 48 2HE LYS 48 7.480 -11.163 -6.777 365 HZ1 LYS 48 2HZ LYS 48 6.562 -12.567 -8.621 366 HZ3 LYS 48 1HZ LYS 48 5.977 -13.624 -7.516 367 H MET 49 H MET 49 4.091 -12.100 -1.488 368 HA MET 49 HA MET 49 1.136 -12.334 -0.856 369 HB2 MET 49 1HB MET 49 3.381 -10.962 0.745 370 HB3 MET 49 2HB MET 49 1.669 -10.694 1.034 371 HG2 MET 49 1HG MET 49 2.355 -12.360 2.624 372 HG3 MET 49 2HG MET 49 1.323 -13.184 1.444 373 HE1 MET 49 3HE MET 49 3.753 -16.116 2.005 374 HE2 MET 49 1HE MET 49 2.881 -15.081 3.173 375 HE3 MET 49 2HE MET 49 2.073 -15.621 1.674 376 H THR 50 H THR 50 -0.236 -10.706 -1.285 377 HA THR 50 HA THR 50 0.826 -8.279 -2.804 378 HB THR 50 HB THR 50 -1.607 -10.040 -3.544 379 HG1 THR 50 HG1 THR 50 0.428 -11.042 -3.863 380 HG21 THR 50 3HG2 THR 50 -1.745 -7.639 -4.404 381 HG22 THR 50 1HG2 THR 50 -0.182 -7.851 -5.193 382 HG23 THR 50 2HG2 THR 50 -1.557 -8.842 -5.703 383 H MET 51 H MET 51 0.062 -6.483 -2.144 384 HA MET 51 HA MET 51 -2.276 -6.255 -0.203 385 HB2 MET 51 1HB MET 51 -0.085 -4.287 -1.043 386 HB3 MET 51 2HB MET 51 -1.575 -3.703 -0.337 387 HG2 MET 51 1HG MET 51 -1.200 -4.703 1.799 388 HG3 MET 51 2HG MET 51 -0.082 -5.906 1.170 389 HE1 MET 51 3HE MET 51 -0.461 -1.919 1.009 390 HE2 MET 51 1HE MET 51 -0.278 -2.273 2.753 391 HE3 MET 51 2HE MET 51 1.030 -1.440 1.863 392 H LEU 52 H LEU 52 -4.040 -6.519 -1.429 393 HA LEU 52 HA LEU 52 -4.434 -5.061 -4.030 394 HB2 LEU 52 1HB LEU 52 -6.459 -6.814 -2.515 395 HB3 LEU 52 2HB LEU 52 -6.561 -6.307 -4.175 396 HG LEU 52 HG LEU 52 -4.277 -8.088 -3.083 397 HD11 LEU 52 1HD1 LEU 52 -5.421 -10.041 -3.867 398 HD12 LEU 52 2HD1 LEU 52 -6.505 -9.212 -2.743 399 HD13 LEU 52 3HD1 LEU 52 -6.818 -9.107 -4.493 400 HD21 LEU 52 3HD2 LEU 52 -5.246 -7.540 -5.975 401 HD22 LEU 52 1HD2 LEU 52 -3.725 -7.000 -5.211 402 HD23 LEU 52 2HD2 LEU 52 -4.002 -8.726 -5.508 403 H THR 53 H THR 53 -4.013 -3.124 -2.776 404 HA THR 53 HA THR 53 -5.618 -2.078 -0.700 405 HB THR 53 HB THR 53 -3.693 -0.737 -2.662 406 HG1 THR 53 HG1 THR 53 -2.267 -1.123 -1.065 407 HG21 THR 53 3HG2 THR 53 -4.808 0.335 0.018 408 HG22 THR 53 1HG2 THR 53 -3.355 0.978 -0.807 409 HG23 THR 53 2HG2 THR 53 -4.948 1.105 -1.583 410 H GLU 54 H GLU 54 -7.679 -1.616 -0.815 411 HA GLU 54 HA GLU 54 -8.829 -0.133 -3.213 412 HB2 GLU 54 1HB GLU 54 -9.974 -2.292 -1.354 413 HB3 GLU 54 2HB GLU 54 -11.042 -1.284 -2.311 414 HG2 GLU 54 1HG GLU 54 -8.791 -3.018 -3.522 415 HG3 GLU 54 2HG GLU 54 -10.486 -3.471 -3.411 416 H SER 55 H SER 55 -8.146 1.805 -2.275 417 HA SER 55 HA SER 55 -10.168 3.024 -0.298 418 HB2 SER 55 1HB SER 55 -7.230 3.735 -0.942 419 HB3 SER 55 2HB SER 55 -8.291 4.861 -0.100 420 HG SER 55 HG SER 55 -8.674 3.245 1.499 421 H THR 56 H THR 56 -10.739 5.356 -0.838 422 HA THR 56 HA THR 56 -11.699 5.578 -3.551 423 HB THR 56 HB THR 56 -11.520 7.625 -1.289 424 HG1 THR 56 HG1 THR 56 -13.793 6.396 -2.379 425 HG21 THR 56 3HG2 THR 56 -11.891 8.990 -3.372 426 HG22 THR 56 1HG2 THR 56 -13.186 7.895 -3.888 427 HG23 THR 56 2HG2 THR 56 -13.374 8.879 -2.414 428 H PHE 57 H PHE 57 -8.724 6.925 -2.288 429 HA PHE 57 HA PHE 57 -8.106 8.151 -5.018 430 HB2 PHE 57 1HB PHE 57 -7.058 8.735 -2.219 431 HB3 PHE 57 2HB PHE 57 -5.888 8.799 -3.465 432 HD1 PHE 57 HD1 PHE 57 -6.254 10.317 -5.569 433 HD2 PHE 57 HD2 PHE 57 -8.806 10.508 -2.112 434 HE1 PHE 57 HE1 PHE 57 -7.069 12.519 -6.288 435 HE2 PHE 57 HE2 PHE 57 -9.676 12.652 -2.882 436 HZ PHE 57 HZ PHE 57 -8.792 13.702 -4.956 437 H LYS 58 H LYS 58 -7.112 5.549 -2.932 438 HA LYS 58 HA LYS 58 -5.312 4.547 -5.210 439 HB2 LYS 58 1HB LYS 58 -4.720 4.160 -2.212 440 HB3 LYS 58 2HB LYS 58 -4.047 3.168 -3.490 441 HG2 LYS 58 1HG LYS 58 -3.201 5.424 -4.592 442 HG3 LYS 58 2HG LYS 58 -3.521 6.168 -3.037 443 HD2 LYS 58 1HD LYS 58 -1.763 3.647 -3.482 444 HD3 LYS 58 2HD LYS 58 -1.119 5.268 -3.495 445 HE2 LYS 58 1HE LYS 58 -1.724 5.674 -1.136 446 HE3 LYS 58 2HE LYS 58 -2.622 4.155 -1.026 447 HZ1 LYS 58 3HZ LYS 58 -0.540 2.874 -1.338 448 HZ2 LYS 58 1HZ LYS 58 0.283 4.063 -1.933 449 HZ3 LYS 58 2HZ LYS 58 -0.056 4.062 -0.297 450 H ASN 59 H ASN 59 -7.514 3.781 -5.826 451 HA ASN 59 HA ASN 59 -7.953 0.982 -4.721 452 HB2 ASN 59 1HB ASN 59 -9.803 0.753 -6.185 453 HB3 ASN 59 2HB ASN 59 -9.917 2.190 -5.226 454 HD21 ASN 59 1HD2 ASN 59 -9.927 0.998 -8.407 455 HD22 ASN 59 2HD2 ASN 59 -10.125 2.646 -9.200 456 H LEU 60 H LEU 60 -5.976 0.067 -5.047 457 HA LEU 60 HA LEU 60 -5.271 -0.850 -7.779 458 HB2 LEU 60 1HB LEU 60 -3.057 0.288 -7.955 459 HB3 LEU 60 2HB LEU 60 -4.428 1.360 -7.982 460 HG LEU 60 HG LEU 60 -3.950 1.616 -5.325 461 HD11 LEU 60 1HD1 LEU 60 -1.996 -0.007 -5.207 462 HD12 LEU 60 2HD1 LEU 60 -1.137 0.901 -6.459 463 HD13 LEU 60 3HD1 LEU 60 -1.445 1.632 -4.872 464 HD21 LEU 60 3HD2 LEU 60 -2.270 3.013 -7.534 465 HD22 LEU 60 1HD2 LEU 60 -3.902 3.485 -7.004 466 HD23 LEU 60 2HD2 LEU 60 -2.531 3.626 -5.886 467 H SER 61 H SER 61 -3.732 -2.496 -7.912 468 HA SER 61 HA SER 61 -3.086 -3.838 -5.288 469 HB2 SER 61 1HB SER 61 -2.679 -5.864 -6.711 470 HB3 SER 61 2HB SER 61 -4.306 -5.189 -6.929 471 HG SER 61 HG SER 61 -3.159 -5.782 -8.894 472 H VAL 62 H VAL 62 -1.062 -4.408 -4.593 473 HA VAL 62 HA VAL 62 1.275 -4.132 -6.504 474 HB VAL 62 HB VAL 62 2.129 -3.412 -3.771 475 HG11 VAL 62 1HG1 VAL 62 2.496 -2.013 -6.502 476 HG12 VAL 62 2HG1 VAL 62 3.389 -1.630 -5.018 477 HG13 VAL 62 3HG1 VAL 62 3.594 -3.214 -5.780 478 HG21 VAL 62 3HG2 VAL 62 1.385 -1.041 -3.720 479 HG22 VAL 62 1HG2 VAL 62 0.328 -1.312 -5.136 480 HG23 VAL 62 2HG2 VAL 62 -0.014 -2.137 -3.602 481 H THR 63 H THR 63 2.980 -5.468 -6.068 482 HA THR 63 HA THR 63 2.273 -7.987 -4.474 483 HB THR 63 HB THR 63 3.459 -8.042 -7.304 484 HG1 THR 63 HG1 THR 63 0.995 -9.146 -6.594 485 HG21 THR 63 3HG2 THR 63 3.027 -10.484 -7.218 486 HG22 THR 63 1HG2 THR 63 4.066 -10.076 -5.834 487 HG23 THR 63 2HG2 THR 63 2.356 -10.374 -5.580 488 H PHE 64 H PHE 64 3.867 -9.003 -3.503 489 HA PHE 64 HA PHE 64 6.775 -8.365 -3.731 490 HB2 PHE 64 1HB PHE 64 6.962 -7.196 -1.517 491 HB3 PHE 64 2HB PHE 64 5.984 -6.331 -2.660 492 HD1 PHE 64 HD1 PHE 64 5.682 -8.580 0.375 493 HD2 PHE 64 HD2 PHE 64 3.678 -5.770 -2.202 494 HE1 PHE 64 HE1 PHE 64 3.750 -8.573 1.877 495 HE2 PHE 64 HE2 PHE 64 1.763 -5.753 -0.685 496 HZ PHE 64 HZ PHE 64 1.760 -7.184 1.345 497 H LYS 65 H LYS 65 7.973 -9.193 -1.747 498 HA LYS 65 HA LYS 65 6.605 -11.453 -0.319 499 HB2 LYS 65 1HB LYS 65 8.011 -13.182 -0.759 500 HB3 LYS 65 2HB LYS 65 7.973 -12.388 -2.304 501 HG2 LYS 65 1HG LYS 65 10.281 -11.262 -1.598 502 HG3 LYS 65 2HG LYS 65 10.241 -12.315 -0.207 503 HD2 LYS 65 1HD LYS 65 11.547 -13.557 -1.697 504 HD3 LYS 65 2HD LYS 65 9.987 -14.330 -1.811 505 HE2 LYS 65 1HE LYS 65 10.508 -14.186 -4.070 506 HE3 LYS 65 2HE LYS 65 9.537 -12.730 -3.904 507 HZ1 LYS 65 3HZ LYS 65 12.572 -12.806 -3.933 508 HZ2 LYS 65 1HZ LYS 65 11.593 -12.043 -5.028 509 HZ3 LYS 65 2HZ LYS 65 11.763 -11.432 -3.530 510 H PHE 66 H PHE 66 8.010 -12.276 1.545 511 HA PHE 66 HA PHE 66 8.798 -9.926 3.218 512 HB2 PHE 66 1HB PHE 66 9.148 -11.465 5.033 513 HB3 PHE 66 2HB PHE 66 7.528 -11.316 4.450 514 HD1 PHE 66 HD1 PHE 66 10.418 -13.636 4.802 515 HD2 PHE 66 HD2 PHE 66 6.327 -13.274 3.505 516 HE1 PHE 66 HE1 PHE 66 10.186 -16.098 4.807 517 HE2 PHE 66 HE2 PHE 66 6.110 -15.727 3.518 518 HZ PHE 66 HZ PHE 66 8.034 -17.144 4.173 519 H GLY 67 H GLY 67 10.266 -9.339 1.857 520 HA2 GLY 67 1HA GLY 67 13.157 -9.836 2.271 521 HA3 GLY 67 2HA GLY 67 12.556 -10.705 0.852 522 H GLU 68 H GLU 68 10.713 -8.780 -0.120 523 HA GLU 68 HA GLU 68 12.607 -7.182 -1.687 524 HB2 GLU 68 1HB GLU 68 9.563 -6.845 -1.795 525 HB3 GLU 68 2HB GLU 68 10.749 -6.415 -3.014 526 HG2 GLU 68 1HG GLU 68 9.838 -9.200 -2.184 527 HG3 GLU 68 2HG GLU 68 9.495 -8.362 -3.689 528 H GLU 69 H GLU 69 12.781 -4.985 -1.918 529 HA GLU 69 HA GLU 69 11.226 -3.068 -0.093 530 HB2 GLU 69 1HB GLU 69 13.515 -2.337 -2.008 531 HB3 GLU 69 2HB GLU 69 12.528 -1.245 -1.039 532 HG2 GLU 69 1HG GLU 69 13.407 -2.495 1.079 533 HG3 GLU 69 2HG GLU 69 14.562 -3.300 0.027 534 H PHE 70 H PHE 70 9.213 -3.428 -1.088 535 HA PHE 70 HA PHE 70 8.962 -3.440 -4.037 536 HB2 PHE 70 1HB PHE 70 6.844 -4.147 -3.937 537 HB3 PHE 70 2HB PHE 70 7.680 -4.932 -2.637 538 HD1 PHE 70 HD1 PHE 70 7.145 -4.240 -0.228 539 HD2 PHE 70 HD2 PHE 70 4.929 -2.642 -3.536 540 HE1 PHE 70 HE1 PHE 70 5.349 -3.577 1.296 541 HE2 PHE 70 HE2 PHE 70 3.123 -1.958 -1.996 542 HZ PHE 70 HZ PHE 70 3.321 -2.434 0.431 543 H ASP 71 H ASP 71 8.471 -1.742 -5.405 544 HA ASP 71 HA ASP 71 8.137 0.950 -4.206 545 HB2 ASP 71 1HB ASP 71 8.776 1.838 -6.322 546 HB3 ASP 71 2HB ASP 71 9.878 0.586 -5.807 547 H GLU 72 H GLU 72 6.640 2.501 -4.655 548 HA GLU 72 HA GLU 72 4.568 2.055 -6.719 549 HB2 GLU 72 1HB GLU 72 2.562 2.537 -5.503 550 HB3 GLU 72 2HB GLU 72 3.270 1.057 -4.900 551 HG2 GLU 72 1HG GLU 72 3.860 2.011 -2.774 552 HG3 GLU 72 2HG GLU 72 3.834 3.657 -3.368 553 H LYS 73 H LYS 73 3.589 3.973 -7.377 554 HA LYS 73 HA LYS 73 4.641 6.552 -6.136 555 HB2 LYS 73 1HB LYS 73 4.482 7.867 -7.944 556 HB3 LYS 73 2HB LYS 73 5.286 6.438 -8.503 557 HG2 LYS 73 1HG LYS 73 3.880 6.274 -10.209 558 HG3 LYS 73 2HG LYS 73 2.539 5.911 -9.143 559 HD2 LYS 73 1HD LYS 73 3.407 8.745 -10.023 560 HD3 LYS 73 2HD LYS 73 2.172 7.759 -10.804 561 HE2 LYS 73 1HE LYS 73 0.880 7.677 -8.551 562 HE3 LYS 73 2HE LYS 73 2.074 8.782 -7.887 563 HZ1 LYS 73 3HZ LYS 73 0.169 10.059 -8.727 564 HZ2 LYS 73 1HZ LYS 73 1.438 10.412 -9.720 565 HZ3 LYS 73 2HZ LYS 73 0.263 9.386 -10.225 566 H THR 74 H THR 74 3.330 7.578 -4.985 567 HA THR 74 HA THR 74 0.738 6.417 -4.345 568 HB THR 74 HB THR 74 0.638 8.121 -2.545 569 HG1 THR 74 HG1 THR 74 3.024 9.203 -3.573 570 HG21 THR 74 3HG2 THR 74 2.840 7.732 -1.402 571 HG22 THR 74 1HG2 THR 74 2.199 6.221 -2.086 572 HG23 THR 74 2HG2 THR 74 3.526 7.059 -2.898 573 H SER 75 H SER 75 -1.409 7.449 -4.245 574 HA SER 75 HA SER 75 -2.352 9.174 -6.321 575 HB2 SER 75 1HB SER 75 -4.299 9.503 -4.886 576 HB3 SER 75 2HB SER 75 -3.811 7.819 -4.913 577 HG SER 75 HG SER 75 -3.249 9.730 -2.861 578 H ASP 76 H ASP 76 -0.784 10.151 -3.350 579 HA ASP 76 HA ASP 76 -1.237 13.037 -3.462 580 HB2 ASP 76 1HB ASP 76 -0.598 11.771 -1.454 581 HB3 ASP 76 2HB ASP 76 0.860 11.163 -2.220 582 H GLY 77 H GLY 77 1.087 10.930 -5.075 583 HA2 GLY 77 1HA GLY 77 2.158 11.606 -7.218 584 HA3 GLY 77 2HA GLY 77 2.128 13.285 -6.719 585 H ARG 78 H ARG 78 3.590 10.122 -5.812 586 HA ARG 78 HA ARG 78 6.241 11.283 -5.481 587 HB2 ARG 78 1HB ARG 78 6.677 11.033 -3.089 588 HB3 ARG 78 2HB ARG 78 5.659 12.392 -3.512 589 HG2 ARG 78 1HG ARG 78 3.637 11.332 -2.593 590 HG3 ARG 78 2HG ARG 78 4.464 9.789 -2.388 591 HD2 ARG 78 1HD ARG 78 6.106 11.572 -0.884 592 HD3 ARG 78 2HD ARG 78 4.524 12.270 -0.666 593 HE ARG 78 HE ARG 78 5.510 9.645 0.456 594 HH11 ARG 78 1HH1 ARG 78 2.500 11.410 -0.277 595 HH12 ARG 78 2HH1 ARG 78 1.620 10.194 0.770 596 HH21 ARG 78 1HH2 ARG 78 4.516 8.530 1.625 597 HH22 ARG 78 2HH2 ARG 78 2.677 8.664 1.839 598 H ASN 79 H ASN 79 7.574 9.729 -5.892 599 HA ASN 79 HA ASN 79 6.786 6.868 -5.920 600 HB2 ASN 79 1HB ASN 79 8.913 6.361 -6.898 601 HB3 ASN 79 2HB ASN 79 8.049 7.587 -7.773 602 HD21 ASN 79 1HD2 ASN 79 9.119 9.563 -8.118 603 HD22 ASN 79 2HD2 ASN 79 10.822 9.828 -7.477 604 H VAL 80 H VAL 80 7.076 5.388 -4.361 605 HA VAL 80 HA VAL 80 9.055 5.893 -2.106 606 HB VAL 80 HB VAL 80 7.494 5.558 -0.385 607 HG11 VAL 80 1HG1 VAL 80 6.027 7.540 -2.254 608 HG12 VAL 80 2HG1 VAL 80 5.918 7.466 -0.492 609 HG13 VAL 80 3HG1 VAL 80 7.441 7.943 -1.279 610 HG21 VAL 80 3HG2 VAL 80 5.876 3.862 -1.390 611 HG22 VAL 80 1HG2 VAL 80 5.019 5.201 -0.614 612 HG23 VAL 80 2HG2 VAL 80 5.166 5.145 -2.390 613 H LYS 81 H LYS 81 9.357 4.006 -0.793 614 HA LYS 81 HA LYS 81 8.612 1.397 -2.099 615 HB2 LYS 81 1HB LYS 81 10.767 0.456 -2.172 616 HB3 LYS 81 2HB LYS 81 10.796 1.990 -3.014 617 HG2 LYS 81 1HG LYS 81 11.875 3.066 -0.940 618 HG3 LYS 81 2HG LYS 81 11.910 1.456 -0.185 619 HD2 LYS 81 1HD LYS 81 13.327 0.583 -2.063 620 HD3 LYS 81 2HD LYS 81 13.315 2.164 -2.849 621 HE2 LYS 81 1HE LYS 81 14.559 3.231 -1.020 622 HE3 LYS 81 2HE LYS 81 14.286 1.868 0.078 623 HZ1 LYS 81 3HZ LYS 81 16.580 1.819 -1.032 624 HZ2 LYS 81 1HZ LYS 81 15.713 0.420 -1.109 625 HZ3 LYS 81 2HZ LYS 81 15.832 1.395 -2.457 626 H SER 82 H SER 82 9.215 -0.486 -0.564 627 HA SER 82 HA SER 82 8.984 0.277 2.346 628 HB2 SER 82 1HB SER 82 6.761 -1.335 0.984 629 HB3 SER 82 2HB SER 82 6.912 -1.024 2.728 630 HG SER 82 HG SER 82 7.096 1.226 1.131 631 H VAL 83 H VAL 83 10.194 -1.056 3.532 632 HA VAL 83 HA VAL 83 11.300 -3.558 2.260 633 HB VAL 83 HB VAL 83 12.797 -1.891 3.149 634 HG11 VAL 83 1HG1 VAL 83 13.305 -1.731 5.614 635 HG12 VAL 83 2HG1 VAL 83 11.863 -0.893 5.033 636 HG13 VAL 83 3HG1 VAL 83 11.686 -2.412 5.939 637 HG21 VAL 83 3HG2 VAL 83 13.514 -4.283 2.947 638 HG22 VAL 83 1HG2 VAL 83 14.350 -3.454 4.277 639 HG23 VAL 83 2HG2 VAL 83 13.019 -4.582 4.629 640 H VAL 84 H VAL 84 10.178 -5.375 2.502 641 HA VAL 84 HA VAL 84 8.163 -5.645 4.714 642 HB VAL 84 HB VAL 84 8.788 -7.607 2.436 643 HG11 VAL 84 1HG1 VAL 84 7.245 -8.429 4.361 644 HG12 VAL 84 2HG1 VAL 84 6.112 -7.133 3.964 645 HG13 VAL 84 3HG1 VAL 84 6.450 -8.419 2.774 646 HG21 VAL 84 3HG2 VAL 84 7.083 -6.678 1.019 647 HG22 VAL 84 1HG2 VAL 84 6.672 -5.391 2.169 648 HG23 VAL 84 2HG2 VAL 84 8.246 -5.413 1.360 649 H GLU 85 H GLU 85 8.523 -6.799 6.490 650 HA GLU 85 HA GLU 85 9.660 -9.488 6.278 651 HB2 GLU 85 1HB GLU 85 11.785 -8.285 6.633 652 HB3 GLU 85 2HB GLU 85 11.193 -7.545 8.109 653 HG2 GLU 85 1HG GLU 85 12.766 -9.362 8.563 654 HG3 GLU 85 2HG GLU 85 11.226 -9.701 9.302 655 H LYS 86 H LYS 86 9.155 -10.771 7.934 656 HA LYS 86 HA LYS 86 7.031 -9.902 9.878 657 HB2 LYS 86 1HB LYS 86 6.136 -11.843 10.275 658 HB3 LYS 86 2HB LYS 86 6.379 -11.880 8.552 659 HG2 LYS 86 1HG LYS 86 8.043 -13.341 10.696 660 HG3 LYS 86 2HG LYS 86 6.782 -14.052 9.730 661 HD2 LYS 86 1HD LYS 86 8.069 -14.296 7.843 662 HD3 LYS 86 2HD LYS 86 8.793 -12.727 7.999 663 HE2 LYS 86 1HE LYS 86 10.209 -13.774 10.015 664 HE3 LYS 86 2HE LYS 86 9.719 -15.337 9.360 665 HZ1 LYS 86 3HZ LYS 86 10.753 -14.615 7.162 666 HZ2 LYS 86 1HZ LYS 86 10.962 -13.076 7.724 667 HZ3 LYS 86 2HZ LYS 86 11.890 -14.270 8.330 668 H ASN 87 H ASN 87 7.666 -9.473 11.731 669 HA ASN 87 HA ASN 87 10.564 -9.751 12.686 670 HB2 ASN 87 1HB ASN 87 9.524 -7.471 12.749 671 HB3 ASN 87 2HB ASN 87 8.225 -8.051 13.759 672 HD21 ASN 87 1HD2 ASN 87 11.759 -7.604 13.739 673 HD22 ASN 87 2HD2 ASN 87 11.812 -7.359 15.562 674 H SER 88 H SER 88 7.264 -10.505 13.631 675 HA SER 88 HA SER 88 8.295 -13.238 14.009 676 HB2 SER 88 1HB SER 88 6.481 -12.062 16.238 677 HB3 SER 88 2HB SER 88 6.846 -13.781 16.045 678 HG SER 88 HG SER 88 9.057 -12.108 15.975 679 H GLU 89 H GLU 89 6.413 -14.839 13.791 680 HA GLU 89 HA GLU 89 4.735 -14.168 11.576 681 HB2 GLU 89 1HB GLU 89 4.817 -16.504 13.604 682 HB3 GLU 89 2HB GLU 89 3.719 -16.498 12.255 683 HG2 GLU 89 1HG GLU 89 5.630 -17.820 11.664 684 HG3 GLU 89 2HG GLU 89 5.526 -16.446 10.588 685 H SER 90 H SER 90 4.164 -13.037 14.366 686 HA SER 90 HA SER 90 1.585 -12.044 13.409 687 HB2 SER 90 1HB SER 90 0.319 -11.996 15.567 688 HB3 SER 90 2HB SER 90 0.652 -13.642 15.039 689 HG SER 90 HG SER 90 2.507 -13.565 16.475 690 H LYS 91 H LYS 91 4.248 -10.949 13.411 691 HA LYS 91 HA LYS 91 3.299 -8.260 14.016 692 HB2 LYS 91 1HB LYS 91 4.518 -8.977 16.230 693 HB3 LYS 91 2HB LYS 91 6.007 -8.961 15.301 694 HG2 LYS 91 1HG LYS 91 4.894 -6.431 14.634 695 HG3 LYS 91 2HG LYS 91 4.179 -6.695 16.204 696 HD2 LYS 91 1HD LYS 91 7.154 -6.646 15.449 697 HD3 LYS 91 2HD LYS 91 6.278 -5.357 16.237 698 HE2 LYS 91 1HE LYS 91 6.827 -8.140 17.507 699 HE3 LYS 91 2HE LYS 91 7.856 -6.732 17.708 700 HZ1 LYS 91 3HZ LYS 91 5.813 -5.538 18.700 701 HZ2 LYS 91 1HZ LYS 91 4.923 -6.925 18.618 702 HZ3 LYS 91 2HZ LYS 91 6.251 -6.853 19.599 703 H LEU 92 H LEU 92 3.514 -7.653 12.003 704 HA LEU 92 HA LEU 92 6.050 -8.121 10.346 705 HB2 LEU 92 1HB LEU 92 3.551 -8.503 9.561 706 HB3 LEU 92 2HB LEU 92 3.383 -6.783 9.605 707 HG LEU 92 HG LEU 92 5.671 -7.022 8.016 708 HD11 LEU 92 1HD1 LEU 92 5.596 -9.523 8.052 709 HD12 LEU 92 2HD1 LEU 92 3.958 -9.507 7.380 710 HD13 LEU 92 3HD1 LEU 92 5.329 -8.899 6.420 711 HD21 LEU 92 3HD2 LEU 92 2.737 -7.204 7.042 712 HD22 LEU 92 1HD2 LEU 92 3.609 -5.700 7.430 713 HD23 LEU 92 2HD2 LEU 92 4.128 -6.693 6.056 714 H THR 93 H THR 93 7.076 -6.243 9.259 715 HA THR 93 HA THR 93 6.471 -3.478 10.367 716 HB THR 93 HB THR 93 9.094 -5.003 10.802 717 HG1 THR 93 HG1 THR 93 7.045 -4.918 12.190 718 HG21 THR 93 3HG2 THR 93 9.849 -2.856 12.016 719 HG22 THR 93 1HG2 THR 93 9.852 -2.749 10.248 720 HG23 THR 93 2HG2 THR 93 8.562 -1.966 11.157 721 H GLN 94 H GLN 94 5.740 -3.245 8.286 722 HA GLN 94 HA GLN 94 7.559 -3.696 5.951 723 HB2 GLN 94 1HB GLN 94 5.238 -4.485 6.062 724 HB3 GLN 94 2HB GLN 94 4.628 -2.833 6.150 725 HG2 GLN 94 1HG GLN 94 5.506 -2.379 3.832 726 HG3 GLN 94 2HG GLN 94 6.240 -3.958 3.764 727 HE21 GLN 94 1HE2 GLN 94 4.839 -5.727 3.347 728 HE22 GLN 94 2HE2 GLN 94 3.133 -5.419 2.770 729 H THR 95 H THR 95 8.745 -2.012 7.111 730 HA THR 95 HA THR 95 8.308 0.624 7.436 731 HB THR 95 HB THR 95 11.135 -0.307 6.941 732 HG1 THR 95 HG1 THR 95 10.168 -1.598 8.381 733 HG21 THR 95 3HG2 THR 95 9.894 2.099 8.427 734 HG22 THR 95 1HG2 THR 95 11.519 1.480 8.748 735 HG23 THR 95 2HG2 THR 95 11.116 2.137 7.157 736 H GLN 96 H GLN 96 7.870 2.368 6.283 737 HA GLN 96 HA GLN 96 7.887 2.038 3.287 738 HB2 GLN 96 1HB GLN 96 6.320 3.747 5.291 739 HB3 GLN 96 2HB GLN 96 6.334 4.219 3.603 740 HG2 GLN 96 1HG GLN 96 5.186 2.253 2.872 741 HG3 GLN 96 2HG GLN 96 5.610 1.320 4.287 742 HE21 GLN 96 1HE2 GLN 96 3.863 4.363 3.598 743 HE22 GLN 96 2HE2 GLN 96 2.481 3.932 4.734 744 H VAL 97 H VAL 97 9.479 2.985 2.110 745 HA VAL 97 HA VAL 97 11.186 5.155 3.439 746 HB VAL 97 HB VAL 97 11.896 3.015 1.372 747 HG11 VAL 97 1HG1 VAL 97 13.102 5.072 0.665 748 HG12 VAL 97 2HG1 VAL 97 13.466 5.463 2.353 749 HG13 VAL 97 3HG1 VAL 97 14.265 4.074 1.568 750 HG21 VAL 97 3HG2 VAL 97 11.946 2.221 3.752 751 HG22 VAL 97 1HG2 VAL 97 13.599 2.382 3.144 752 HG23 VAL 97 2HG2 VAL 97 12.918 3.628 4.234 753 H ASP 98 H ASP 98 9.612 6.672 2.965 754 HA ASP 98 HA ASP 98 8.940 7.535 0.259 755 HB2 ASP 98 1HB ASP 98 8.884 8.836 3.082 756 HB3 ASP 98 2HB ASP 98 8.158 9.589 1.706 757 HA PRO 99 HA PRO 99 12.499 10.546 -0.270 758 HB2 PRO 99 1HB PRO 99 11.265 13.017 -0.883 759 HB3 PRO 99 2HB PRO 99 11.512 11.671 -2.013 760 HG2 PRO 99 1HG PRO 99 8.985 12.241 -0.341 761 HG3 PRO 99 2HG PRO 99 9.079 11.971 -2.103 762 HD2 PRO 99 1HD PRO 99 8.408 9.897 -0.459 763 HD3 PRO 99 2HD PRO 99 9.549 9.583 -1.796 764 H LYS 100 H LYS 100 10.336 10.892 2.230 765 HA LYS 100 HA LYS 100 12.423 12.434 3.885 766 HB2 LYS 100 1HB LYS 100 9.378 12.299 4.157 767 HB3 LYS 100 2HB LYS 100 10.302 12.357 5.637 768 HG2 LYS 100 1HG LYS 100 11.443 14.464 4.969 769 HG3 LYS 100 2HG LYS 100 10.642 14.440 3.386 770 HD2 LYS 100 1HD LYS 100 8.407 14.463 4.463 771 HD3 LYS 100 2HD LYS 100 9.113 14.438 6.082 772 HE2 LYS 100 1HE LYS 100 10.156 16.695 5.746 773 HE3 LYS 100 2HE LYS 100 9.674 16.714 4.042 774 HZ1 LYS 100 3HZ LYS 100 7.956 17.935 5.360 775 HZ2 LYS 100 1HZ LYS 100 7.294 16.535 4.769 776 HZ3 LYS 100 2HZ LYS 100 7.677 16.631 6.340 777 H ASN 101 H ASN 101 11.298 9.242 3.344 778 HA ASN 101 HA ASN 101 11.100 7.304 4.592 779 HB2 ASN 101 1HB ASN 101 12.923 8.517 6.744 780 HB3 ASN 101 2HB ASN 101 12.376 6.865 6.647 781 HD21 ASN 101 1HD2 ASN 101 14.405 9.223 5.046 782 HD22 ASN 101 2HD2 ASN 101 15.363 7.938 4.133 783 H THR 102 H THR 102 9.159 6.840 5.224 784 HA THR 102 HA THR 102 7.808 8.016 7.654 785 HB THR 102 HB THR 102 7.151 5.516 6.012 786 HG1 THR 102 HG1 THR 102 6.651 7.163 4.619 787 HG21 THR 102 3HG2 THR 102 4.923 5.541 6.956 788 HG22 THR 102 1HG2 THR 102 6.025 5.568 8.349 789 HG23 THR 102 2HG2 THR 102 5.204 7.054 7.823 790 H THR 103 H THR 103 8.068 7.160 9.691 791 HA THR 103 HA THR 103 10.553 5.560 10.079 792 HB THR 103 HB THR 103 8.695 7.047 11.983 793 HG1 THR 103 HG1 THR 103 11.222 7.664 10.829 794 HG21 THR 103 3HG2 THR 103 11.589 6.064 12.534 795 HG22 THR 103 1HG2 THR 103 10.559 7.031 13.617 796 HG23 THR 103 2HG2 THR 103 10.121 5.355 13.236 797 H VAL 104 H VAL 104 10.717 3.582 11.062 798 HA VAL 104 HA VAL 104 9.430 1.417 10.394 799 HB VAL 104 HB VAL 104 9.850 0.179 12.454 800 HG11 VAL 104 1HG1 VAL 104 12.337 0.306 12.296 801 HG12 VAL 104 2HG1 VAL 104 11.567 0.298 10.709 802 HG13 VAL 104 3HG1 VAL 104 12.227 1.816 11.366 803 HG21 VAL 104 3HG2 VAL 104 11.078 2.787 13.605 804 HG22 VAL 104 1HG2 VAL 104 9.637 1.978 14.244 805 HG23 VAL 104 2HG2 VAL 104 11.202 1.158 14.307 806 H ILE 105 H ILE 105 7.262 1.390 9.869 807 HA ILE 105 HA ILE 105 5.233 1.747 12.036 808 HB ILE 105 HB ILE 105 3.601 1.748 10.379 809 HG12 ILE 105 1HG1 ILE 105 4.245 0.093 8.707 810 HG13 ILE 105 2HG1 ILE 105 3.887 1.665 7.997 811 HG21 ILE 105 1HG2 ILE 105 4.327 3.796 9.066 812 HG22 ILE 105 2HG2 ILE 105 4.852 3.888 10.767 813 HG23 ILE 105 3HG2 ILE 105 5.995 3.495 9.502 814 HD11 ILE 105 3HD1 ILE 105 6.427 0.123 8.156 815 HD12 ILE 105 1HD1 ILE 105 5.726 1.037 6.788 816 HD13 ILE 105 2HD1 ILE 105 6.585 1.899 8.078 817 H VAL 106 H VAL 106 6.350 -0.042 13.024 818 HA VAL 106 HA VAL 106 6.023 -2.779 12.592 819 HB VAL 106 HB VAL 106 5.799 -3.161 15.081 820 HG11 VAL 106 1HG1 VAL 106 8.007 -2.194 15.730 821 HG12 VAL 106 2HG1 VAL 106 8.091 -2.880 14.111 822 HG13 VAL 106 3HG1 VAL 106 7.998 -1.124 14.312 823 HG21 VAL 106 3HG2 VAL 106 5.999 -0.104 15.499 824 HG22 VAL 106 1HG2 VAL 106 4.471 -0.967 15.604 825 HG23 VAL 106 2HG2 VAL 106 5.794 -1.383 16.725 826 H ARG 107 H ARG 107 4.402 -4.149 12.252 827 HA ARG 107 HA ARG 107 1.493 -3.161 12.557 828 HB2 ARG 107 1HB ARG 107 2.574 -5.001 10.367 829 HB3 ARG 107 2HB ARG 107 0.939 -4.413 10.569 830 HG2 ARG 107 1HG ARG 107 2.095 -1.971 10.314 831 HG3 ARG 107 2HG ARG 107 3.441 -2.911 9.686 832 HD2 ARG 107 1HD ARG 107 1.880 -4.013 8.002 833 HD3 ARG 107 2HD ARG 107 0.552 -2.981 8.584 834 HE ARG 107 HE ARG 107 2.711 -1.174 7.924 835 HH11 ARG 107 1HH1 ARG 107 0.852 -3.523 6.148 836 HH12 ARG 107 2HH1 ARG 107 1.446 -2.827 4.559 837 HH21 ARG 107 1HH2 ARG 107 3.125 -0.258 6.043 838 HH22 ARG 107 2HH2 ARG 107 2.534 -1.076 4.539 839 H GLU 108 H GLU 108 0.863 -4.228 14.426 840 HA GLU 108 HA GLU 108 1.593 -7.173 14.801 841 HB2 GLU 108 1HB GLU 108 2.299 -5.331 16.418 842 HB3 GLU 108 2HB GLU 108 0.622 -5.098 16.868 843 HG2 GLU 108 1HG GLU 108 0.493 -7.195 18.027 844 HG3 GLU 108 2HG GLU 108 1.778 -7.941 17.083 845 H VAL 109 H VAL 109 -0.167 -8.392 16.076 846 HA VAL 109 HA VAL 109 -2.947 -7.386 15.647 847 HB VAL 109 HB VAL 109 -2.764 -8.752 13.727 848 HG11 VAL 109 1HG1 VAL 109 -1.104 -10.508 14.346 849 HG12 VAL 109 2HG1 VAL 109 -2.239 -11.173 15.538 850 HG13 VAL 109 3HG1 VAL 109 -2.606 -11.274 13.791 851 HG21 VAL 109 3HG2 VAL 109 -4.790 -10.120 13.935 852 HG22 VAL 109 1HG2 VAL 109 -4.687 -10.077 15.709 853 HG23 VAL 109 2HG2 VAL 109 -4.986 -8.583 14.793 854 H ASP 110 H ASP 110 -3.943 -7.330 17.473 855 HA ASP 110 HA ASP 110 -2.872 -8.932 19.796 856 HB2 ASP 110 1HB ASP 110 -4.440 -6.316 19.413 857 HB3 ASP 110 2HB ASP 110 -4.344 -7.021 20.987 858 H GLY 111 H GLY 111 -4.361 -10.462 18.132 859 HA2 GLY 111 1HA GLY 111 -5.996 -12.306 18.502 860 HA3 GLY 111 2HA GLY 111 -6.624 -11.462 19.903 861 H ASP 112 H ASP 112 -6.574 -11.488 16.408 862 HA ASP 112 HA ASP 112 -7.573 -10.061 14.790 863 HB2 ASP 112 1HB ASP 112 -9.832 -11.462 16.283 864 HB3 ASP 112 2HB ASP 112 -10.174 -10.458 14.890 865 H THR 113 H THR 113 -6.629 -8.372 16.490 866 HA THR 113 HA THR 113 -8.192 -6.017 15.650 867 HB THR 113 HB THR 113 -9.004 -6.270 17.896 868 HG1 THR 113 HG1 THR 113 -7.493 -3.897 17.828 869 HG21 THR 113 3HG2 THR 113 -7.828 -5.569 19.880 870 HG22 THR 113 1HG2 THR 113 -7.013 -7.000 19.230 871 HG23 THR 113 2HG2 THR 113 -6.282 -5.398 19.033 872 H MET 114 H MET 114 -6.802 -5.964 14.183 873 HA MET 114 HA MET 114 -3.941 -6.311 14.141 874 HB2 MET 114 1HB MET 114 -5.517 -6.610 12.275 875 HB3 MET 114 2HB MET 114 -5.889 -4.895 12.272 876 HG2 MET 114 1HG MET 114 -4.426 -5.323 10.417 877 HG3 MET 114 2HG MET 114 -3.468 -4.414 11.589 878 HE1 MET 114 3HE MET 114 -0.664 -6.546 10.358 879 HE2 MET 114 1HE MET 114 -1.533 -4.992 10.359 880 HE3 MET 114 2HE MET 114 -0.749 -5.577 11.852 881 H LYS 115 H LYS 115 -2.900 -5.128 15.637 882 HA LYS 115 HA LYS 115 -3.369 -2.154 15.980 883 HB2 LYS 115 1HB LYS 115 -3.313 -3.800 17.910 884 HB3 LYS 115 2HB LYS 115 -1.622 -4.115 17.568 885 HG2 LYS 115 1HG LYS 115 -1.341 -1.424 17.868 886 HG3 LYS 115 2HG LYS 115 -2.949 -1.519 18.564 887 HD2 LYS 115 1HD LYS 115 -1.438 -1.629 20.389 888 HD3 LYS 115 2HD LYS 115 -2.115 -3.236 20.243 889 HE2 LYS 115 1HE LYS 115 0.410 -2.987 18.608 890 HE3 LYS 115 2HE LYS 115 0.699 -2.407 20.240 891 HZ1 LYS 115 3HZ LYS 115 -0.059 -4.620 21.117 892 HZ2 LYS 115 1HZ LYS 115 -0.657 -5.089 19.708 893 HZ3 LYS 115 2HZ LYS 115 1.015 -4.980 19.857 894 H THR 116 H THR 116 -2.308 -1.076 14.379 895 HA THR 116 HA THR 116 0.635 -1.678 13.825 896 HB THR 116 HB THR 116 0.532 -1.220 11.684 897 HG1 THR 116 HG1 THR 116 -0.976 0.700 12.344 898 HG21 THR 116 3HG2 THR 116 -1.304 -2.313 10.464 899 HG22 THR 116 1HG2 THR 116 -0.959 -3.242 11.945 900 HG23 THR 116 2HG2 THR 116 -2.378 -2.193 11.876 901 H THR 117 H THR 117 1.613 -0.341 15.129 902 HA THR 117 HA THR 117 0.835 2.403 15.712 903 HB THR 117 HB THR 117 3.587 1.016 15.985 904 HG1 THR 117 HG1 THR 117 2.818 0.544 18.134 905 HG21 THR 117 3HG2 THR 117 2.286 3.166 17.787 906 HG22 THR 117 1HG2 THR 117 3.879 2.415 18.052 907 HG23 THR 117 2HG2 THR 117 3.625 3.468 16.654 908 H VAL 118 H VAL 118 0.684 3.739 13.868 909 HA VAL 118 HA VAL 118 3.004 3.667 11.943 910 HB VAL 118 HB VAL 118 0.810 3.269 11.153 911 HG11 VAL 118 1HG1 VAL 118 -0.598 4.992 12.341 912 HG12 VAL 118 2HG1 VAL 118 0.082 6.239 11.296 913 HG13 VAL 118 3HG1 VAL 118 -0.827 4.901 10.600 914 HG21 VAL 118 3HG2 VAL 118 1.111 5.105 9.132 915 HG22 VAL 118 1HG2 VAL 118 2.671 5.333 9.964 916 HG23 VAL 118 2HG2 VAL 118 2.179 3.726 9.377 917 H THR 119 H THR 119 4.713 4.746 12.708 918 HA THR 119 HA THR 119 4.350 7.598 13.744 919 HB THR 119 HB THR 119 5.170 6.001 15.374 920 HG1 THR 119 HG1 THR 119 7.197 7.091 15.798 921 HG21 THR 119 3HG2 THR 119 6.407 4.323 13.973 922 HG22 THR 119 1HG2 THR 119 7.652 5.522 13.618 923 HG23 THR 119 2HG2 THR 119 7.402 4.951 15.292 924 H VAL 120 H VAL 120 5.827 9.211 13.241 925 HA VAL 120 HA VAL 120 7.826 8.801 10.947 926 HB VAL 120 HB VAL 120 5.799 11.112 10.830 927 HG11 VAL 120 1HG1 VAL 120 7.815 10.002 8.755 928 HG12 VAL 120 2HG1 VAL 120 6.604 11.269 8.435 929 HG13 VAL 120 3HG1 VAL 120 7.911 11.562 9.590 930 HG21 VAL 120 3HG2 VAL 120 5.655 8.362 9.517 931 HG22 VAL 120 1HG2 VAL 120 4.494 9.160 10.590 932 HG23 VAL 120 2HG2 VAL 120 4.689 9.782 8.934 933 H GLY 121 H GLY 121 9.471 9.112 12.319 934 HA2 GLY 121 1HA GLY 121 11.024 10.218 13.774 935 HA3 GLY 121 2HA GLY 121 10.283 11.746 13.343 936 H ASP 122 H ASP 122 7.975 11.656 14.262 937 HA ASP 122 HA ASP 122 7.703 10.973 17.131 938 HB2 ASP 122 1HB ASP 122 7.814 13.111 18.211 939 HB3 ASP 122 2HB ASP 122 9.339 12.769 17.430 940 H VAL 123 H VAL 123 5.891 10.032 15.841 941 HA VAL 123 HA VAL 123 3.504 11.834 16.347 942 HB VAL 123 HB VAL 123 3.689 10.139 13.758 943 HG11 VAL 123 1HG1 VAL 123 1.387 11.841 15.007 944 HG12 VAL 123 2HG1 VAL 123 1.387 11.294 13.335 945 HG13 VAL 123 3HG1 VAL 123 1.334 10.107 14.636 946 HG21 VAL 123 3HG2 VAL 123 3.610 13.206 14.168 947 HG22 VAL 123 1HG2 VAL 123 4.922 12.224 13.461 948 HG23 VAL 123 2HG2 VAL 123 3.374 12.394 12.607 949 H THR 124 H THR 124 4.315 8.470 15.531 950 HA THR 124 HA THR 124 3.314 6.463 16.119 951 HB THR 124 HB THR 124 3.508 7.949 18.763 952 HG1 THR 124 HG1 THR 124 5.419 6.681 18.856 953 HG21 THR 124 3HG2 THR 124 3.625 5.896 20.021 954 HG22 THR 124 1HG2 THR 124 2.122 5.748 19.109 955 HG23 THR 124 2HG2 THR 124 3.580 4.890 18.576 956 H ALA 125 H ALA 125 1.499 6.643 14.799 957 HA ALA 125 HA ALA 125 -1.124 7.400 16.158 958 HB1 ALA 125 3HB ALA 125 -0.213 7.135 13.242 959 HB2 ALA 125 1HB ALA 125 -1.928 7.198 13.626 960 HB3 ALA 125 2HB ALA 125 -0.841 8.534 14.087 961 H ILE 126 H ILE 126 -1.429 5.678 17.451 962 HA ILE 126 HA ILE 126 -1.005 2.962 16.717 963 HB ILE 126 HB ILE 126 -0.837 3.924 18.936 964 HG12 ILE 126 1HG1 ILE 126 -1.863 1.930 20.225 965 HG13 ILE 126 2HG1 ILE 126 -2.518 1.351 18.698 966 HG21 ILE 126 1HG2 ILE 126 -2.709 4.070 20.524 967 HG22 ILE 126 2HG2 ILE 126 -2.898 5.238 19.220 968 HG23 ILE 126 3HG2 ILE 126 -3.899 3.762 19.241 969 HD11 ILE 126 3HD1 ILE 126 0.485 1.998 19.195 970 HD12 ILE 126 1HD1 ILE 126 -0.221 0.378 19.339 971 HD13 ILE 126 2HD1 ILE 126 -0.183 1.187 17.761 972 H ARG 127 H ARG 127 -1.956 2.371 14.867 973 HA ARG 127 HA ARG 127 -4.912 2.786 14.462 974 HB2 ARG 127 1HB ARG 127 -2.998 1.240 12.622 975 HB3 ARG 127 2HB ARG 127 -4.670 1.607 12.274 976 HG2 ARG 127 1HG ARG 127 -4.132 4.094 12.335 977 HG3 ARG 127 2HG ARG 127 -2.432 3.699 12.530 978 HD2 ARG 127 1HD ARG 127 -4.222 2.784 10.152 979 HD3 ARG 127 2HD ARG 127 -3.164 4.194 10.147 980 HE ARG 127 HE ARG 127 -1.803 1.570 10.813 981 HH11 ARG 127 1HH1 ARG 127 -2.578 3.729 8.203 982 HH12 ARG 127 2HH1 ARG 127 -1.275 3.001 7.146 983 HH21 ARG 127 1HH2 ARG 127 -0.355 0.830 9.665 984 HH22 ARG 127 2HH2 ARG 127 -0.047 1.442 7.969 985 H ASN 128 H ASN 128 -6.385 1.395 15.254 986 HA ASN 128 HA ASN 128 -5.847 -1.608 15.194 987 HB2 ASN 128 1HB ASN 128 -8.052 0.204 16.312 988 HB3 ASN 128 2HB ASN 128 -8.345 -1.497 16.146 989 HD21 ASN 128 1HD2 ASN 128 -6.621 0.868 17.955 990 HD22 ASN 128 2HD2 ASN 128 -6.021 -0.340 19.234 991 H TYR 129 H TYR 129 -6.377 -2.701 13.437 992 HA TYR 129 HA TYR 129 -8.916 -1.991 11.867 993 HB2 TYR 129 1HB TYR 129 -6.672 -3.785 10.727 994 HB3 TYR 129 2HB TYR 129 -8.093 -3.231 9.937 995 HD1 TYR 129 HD1 TYR 129 -4.870 -1.904 11.458 996 HD2 TYR 129 HD2 TYR 129 -7.844 -1.500 8.358 997 HE1 TYR 129 HE1 TYR 129 -3.377 -0.439 10.200 998 HE2 TYR 129 HE2 TYR 129 -6.350 -0.034 7.122 999 HH TYR 129 HH TYR 129 -3.036 0.529 8.230 1000 H LYS 130 H LYS 130 -10.015 -3.902 10.984 1001 HA LYS 130 HA LYS 130 -9.611 -6.471 12.656 1002 HB2 LYS 130 1HB LYS 130 -12.191 -5.141 11.729 1003 HB3 LYS 130 2HB LYS 130 -12.116 -6.878 11.626 1004 HG2 LYS 130 1HG LYS 130 -13.129 -6.067 13.729 1005 HG3 LYS 130 2HG LYS 130 -11.834 -7.232 13.952 1006 HD2 LYS 130 1HD LYS 130 -10.252 -5.602 14.698 1007 HD3 LYS 130 2HD LYS 130 -11.193 -4.236 14.191 1008 HE2 LYS 130 1HE LYS 130 -12.149 -6.192 16.402 1009 HE3 LYS 130 2HE LYS 130 -11.021 -4.881 16.729 1010 HZ1 LYS 130 3HZ LYS 130 -12.673 -3.231 15.888 1011 HZ2 LYS 130 1HZ LYS 130 -13.745 -4.413 15.504 1012 HZ3 LYS 130 2HZ LYS 130 -13.378 -4.119 17.083 1013 H ARG 131 H ARG 131 -8.773 -8.012 11.590 1014 HA ARG 131 HA ARG 131 -8.184 -7.882 8.629 1015 HB2 ARG 131 1HB ARG 131 -6.442 -8.341 10.118 1016 HB3 ARG 131 2HB ARG 131 -7.234 -9.703 10.868 1017 HG2 ARG 131 1HG ARG 131 -6.745 -9.710 7.816 1018 HG3 ARG 131 2HG ARG 131 -5.406 -9.845 8.876 1019 HD2 ARG 131 1HD ARG 131 -7.809 -11.802 8.664 1020 HD3 ARG 131 2HD ARG 131 -6.202 -12.041 8.059 1021 HE ARG 131 HE ARG 131 -5.291 -12.431 10.318 1022 HH11 ARG 131 1HH1 ARG 131 -8.760 -11.796 10.468 1023 HH12 ARG 131 2HH1 ARG 131 -8.840 -12.455 12.183 1024 HH21 ARG 131 1HH2 ARG 131 -5.451 -13.084 12.224 1025 HH22 ARG 131 2HH2 ARG 131 -7.065 -13.013 13.140 1026 H LEU 132 H LEU 132 -9.772 -8.503 7.327 1027 HA LEU 132 HA LEU 132 -11.792 -10.590 8.211 1028 HB2 LEU 132 1HB LEU 132 -11.888 -8.361 6.113 1029 HB3 LEU 132 2HB LEU 132 -13.232 -9.457 6.483 1030 HG LEU 132 HG LEU 132 -11.960 -7.296 8.251 1031 HD11 LEU 132 1HD1 LEU 132 -13.530 -6.552 6.446 1032 HD12 LEU 132 2HD1 LEU 132 -14.802 -7.637 7.070 1033 HD13 LEU 132 3HD1 LEU 132 -14.239 -6.261 8.053 1034 HD21 LEU 132 3HD2 LEU 132 -12.565 -9.088 9.835 1035 HD22 LEU 132 1HD2 LEU 132 -13.774 -7.805 9.963 1036 HD23 LEU 132 2HD2 LEU 132 -14.172 -9.302 9.090 1037 H SER 133 H SER 133 -12.116 -12.354 7.154 1038 HA SER 133 HA SER 133 -10.338 -13.108 4.784 1039 HB2 SER 133 1HB SER 133 -10.774 -15.441 5.398 1040 HB3 SER 133 2HB SER 133 -10.180 -14.528 6.786 1041 HG SER 133 HG SER 133 -11.973 -15.854 7.315 1042 HXT SER 133 HXT SER 133 -13.158 -14.194 4.515 Start of MODEL 10 1 H1 MET 1 1H MET 1 1.804 -12.445 7.488 2 H2 MET 1 2H MET 1 2.495 -13.531 8.493 3 HA MET 1 HA MET 1 2.141 -13.842 5.567 4 HB2 MET 1 1HB MET 1 3.497 -15.641 7.646 5 HB3 MET 1 2HB MET 1 2.800 -16.332 6.207 6 HG2 MET 1 1HG MET 1 4.888 -14.071 6.029 7 HG3 MET 1 2HG MET 1 5.302 -15.789 6.104 8 HE1 MET 1 3HE MET 1 3.570 -17.579 4.391 9 HE2 MET 1 1HE MET 1 4.239 -17.306 2.763 10 HE3 MET 1 2HE MET 1 5.332 -17.395 4.170 11 H SER 2 H SER 2 1.248 -16.257 8.043 12 HA SER 2 HA SER 2 -1.381 -16.361 6.672 13 HB2 SER 2 1HB SER 2 -1.700 -18.487 7.545 14 HB3 SER 2 2HB SER 2 0.021 -18.398 7.206 15 HG SER 2 HG SER 2 0.181 -17.803 9.654 16 H SER 3 H SER 3 -0.550 -15.898 10.140 17 HA SER 3 HA SER 3 -3.141 -15.236 11.179 18 HB2 SER 3 1HB SER 3 -1.977 -14.034 12.941 19 HB3 SER 3 2HB SER 3 -0.959 -15.398 12.473 20 HG SER 3 HG SER 3 0.444 -13.709 12.463 21 H PHE 4 H PHE 4 -1.143 -13.122 9.276 22 HA PHE 4 HA PHE 4 -2.884 -10.699 9.542 23 HB2 PHE 4 1HB PHE 4 -0.369 -11.400 7.880 24 HB3 PHE 4 2HB PHE 4 -1.120 -9.853 7.751 25 HD1 PHE 4 HD1 PHE 4 -1.402 -8.361 9.906 26 HD2 PHE 4 HD2 PHE 4 1.167 -11.820 9.759 27 HE1 PHE 4 HE1 PHE 4 -0.174 -7.553 11.891 28 HE2 PHE 4 HE2 PHE 4 2.390 -10.988 11.720 29 HZ PHE 4 HZ PHE 4 1.711 -8.862 12.801 30 H LEU 5 H LEU 5 -3.406 -13.399 7.490 31 HA LEU 5 HA LEU 5 -3.811 -12.152 4.939 32 HB2 LEU 5 1HB LEU 5 -5.094 -14.672 6.117 33 HB3 LEU 5 2HB LEU 5 -5.291 -14.195 4.441 34 HG LEU 5 HG LEU 5 -2.544 -14.662 5.719 35 HD11 LEU 5 1HD1 LEU 5 -4.288 -16.610 4.052 36 HD12 LEU 5 2HD1 LEU 5 -2.622 -16.919 4.580 37 HD13 LEU 5 3HD1 LEU 5 -3.905 -16.763 5.785 38 HD21 LEU 5 3HD2 LEU 5 -1.718 -14.867 3.385 39 HD22 LEU 5 1HD2 LEU 5 -3.340 -14.522 2.739 40 HD23 LEU 5 2HD2 LEU 5 -2.424 -13.275 3.620 41 H GLY 6 H GLY 6 -5.369 -10.912 4.100 42 HA2 GLY 6 1HA GLY 6 -7.982 -10.963 3.768 43 HA3 GLY 6 2HA GLY 6 -8.077 -10.566 5.486 44 H LYS 7 H LYS 7 -9.402 -8.971 4.203 45 HA LYS 7 HA LYS 7 -7.820 -6.521 3.412 46 HB2 LYS 7 1HB LYS 7 -9.672 -5.435 2.546 47 HB3 LYS 7 2HB LYS 7 -9.619 -7.012 1.856 48 HG2 LYS 7 1HG LYS 7 -11.490 -7.620 3.686 49 HG3 LYS 7 2HG LYS 7 -11.593 -5.883 3.902 50 HD2 LYS 7 1HD LYS 7 -13.095 -5.865 2.218 51 HD3 LYS 7 2HD LYS 7 -11.771 -6.013 1.096 52 HE2 LYS 7 1HE LYS 7 -13.449 -8.321 2.321 53 HE3 LYS 7 2HE LYS 7 -13.655 -7.660 0.702 54 HZ1 LYS 7 3HZ LYS 7 -11.634 -8.718 -0.031 55 HZ2 LYS 7 1HZ LYS 7 -10.983 -8.765 1.482 56 HZ3 LYS 7 2HZ LYS 7 -12.174 -9.822 1.098 57 H TRP 8 H TRP 8 -8.202 -4.472 4.433 58 HA TRP 8 HA TRP 8 -8.580 -4.921 7.431 59 HB2 TRP 8 1HB TRP 8 -6.287 -3.687 5.771 60 HB3 TRP 8 2HB TRP 8 -6.436 -3.426 7.485 61 HD1 TRP 8 HD1 TRP 8 -7.306 -7.028 7.611 62 HE1 TRP 8 HE1 TRP 8 -5.218 -8.650 7.714 63 HE3 TRP 8 HE3 TRP 8 -3.744 -3.585 6.322 64 HZ2 TRP 8 HZ2 TRP 8 -2.446 -8.236 7.577 65 HZ3 TRP 8 HZ3 TRP 8 -1.351 -4.280 6.343 66 HH2 TRP 8 HH2 TRP 8 -0.721 -6.584 6.941 67 H LYS 9 H LYS 9 -10.347 -3.703 7.875 68 HA LYS 9 HA LYS 9 -10.345 -0.829 6.862 69 HB2 LYS 9 1HB LYS 9 -12.880 -2.496 7.373 70 HB3 LYS 9 2HB LYS 9 -12.817 -0.759 7.076 71 HG2 LYS 9 1HG LYS 9 -11.347 -1.398 4.942 72 HG3 LYS 9 2HG LYS 9 -11.978 -3.019 5.164 73 HD2 LYS 9 1HD LYS 9 -14.347 -2.143 4.808 74 HD3 LYS 9 2HD LYS 9 -13.716 -0.481 4.731 75 HE2 LYS 9 1HE LYS 9 -12.154 -1.175 2.841 76 HE3 LYS 9 2HE LYS 9 -12.842 -2.798 2.852 77 HZ1 LYS 9 3HZ LYS 9 -13.697 -1.393 1.034 78 HZ2 LYS 9 1HZ LYS 9 -14.990 -1.776 2.027 79 HZ3 LYS 9 2HZ LYS 9 -14.318 -0.267 2.082 80 H LEU 10 H LEU 10 -10.555 0.678 8.226 81 HA LEU 10 HA LEU 10 -9.263 0.191 10.685 82 HB2 LEU 10 1HB LEU 10 -8.955 2.049 8.970 83 HB3 LEU 10 2HB LEU 10 -10.374 2.842 9.644 84 HG LEU 10 HG LEU 10 -9.157 2.978 11.893 85 HD11 LEU 10 1HD1 LEU 10 -7.423 1.180 11.643 86 HD12 LEU 10 2HD1 LEU 10 -6.715 2.010 10.243 87 HD13 LEU 10 3HD1 LEU 10 -6.649 2.744 11.867 88 HD21 LEU 10 3HD2 LEU 10 -7.672 4.869 11.090 89 HD22 LEU 10 1HD2 LEU 10 -7.778 4.274 9.421 90 HD23 LEU 10 2HD2 LEU 10 -9.228 4.890 10.242 91 H SER 11 H SER 11 -9.767 0.208 12.752 92 HA SER 11 HA SER 11 -12.647 0.340 13.614 93 HB2 SER 11 1HB SER 11 -11.251 -1.678 14.191 94 HB3 SER 11 2HB SER 11 -10.226 -0.671 15.215 95 HG SER 11 HG SER 11 -12.271 -0.044 16.292 96 H GLU 12 H GLU 12 -9.482 1.781 14.371 97 HA GLU 12 HA GLU 12 -10.879 4.260 15.327 98 HB2 GLU 12 1HB GLU 12 -9.346 4.652 17.257 99 HB3 GLU 12 2HB GLU 12 -10.555 3.406 17.486 100 HG2 GLU 12 1HG GLU 12 -8.998 1.618 17.260 101 HG3 GLU 12 2HG GLU 12 -7.687 2.641 16.667 102 H SER 13 H SER 13 -10.116 5.899 14.324 103 HA SER 13 HA SER 13 -7.293 6.014 13.145 104 HB2 SER 13 1HB SER 13 -9.125 6.735 11.661 105 HB3 SER 13 2HB SER 13 -9.741 7.878 12.859 106 HG SER 13 HG SER 13 -7.924 9.111 12.631 107 H HIS 14 H HIS 14 -6.204 6.059 15.151 108 HA HIS 14 HA HIS 14 -7.141 7.815 17.312 109 HB2 HIS 14 1HB HIS 14 -6.069 5.473 17.464 110 HB3 HIS 14 2HB HIS 14 -4.505 6.249 17.321 111 HD1 HIS 14 HD1 HIS 14 -6.898 5.025 19.746 112 HD2 HIS 14 HD2 HIS 14 -4.351 8.529 19.511 113 HE1 HIS 14 HE1 HIS 14 -6.523 6.052 22.118 114 HE2 HIS 14 HE2 HIS 14 -5.009 8.161 22.068 115 H ASN 15 H ASN 15 -4.090 7.967 15.519 116 HA ASN 15 HA ASN 15 -4.564 10.857 15.247 117 HB2 ASN 15 1HB ASN 15 -1.961 9.957 16.646 118 HB3 ASN 15 2HB ASN 15 -1.978 11.399 15.660 119 HD21 ASN 15 1HD2 ASN 15 -3.830 12.971 16.152 120 HD22 ASN 15 2HD2 ASN 15 -4.108 13.206 17.954 121 H PHE 16 H PHE 16 -5.029 8.970 13.475 122 HA PHE 16 HA PHE 16 -2.819 9.122 11.442 123 HB2 PHE 16 1HB PHE 16 -4.379 7.111 11.769 124 HB3 PHE 16 2HB PHE 16 -5.658 8.041 11.017 125 HD1 PHE 16 HD1 PHE 16 -2.047 7.034 10.433 126 HD2 PHE 16 HD2 PHE 16 -5.885 7.752 8.634 127 HE1 PHE 16 HE1 PHE 16 -1.166 6.285 8.236 128 HE2 PHE 16 HE2 PHE 16 -5.025 6.934 6.475 129 HZ PHE 16 HZ PHE 16 -2.674 6.203 6.262 130 H ASP 17 H ASP 17 -2.921 11.452 11.878 131 HA ASP 17 HA ASP 17 -4.559 13.060 9.935 132 HB2 ASP 17 1HB ASP 17 -5.007 14.601 11.894 133 HB3 ASP 17 2HB ASP 17 -5.799 13.046 11.926 134 H ALA 18 H ALA 18 -2.172 13.663 12.420 135 HA ALA 18 HA ALA 18 -0.599 15.579 10.650 136 HB1 ALA 18 3HB ALA 18 -1.038 16.107 13.113 137 HB2 ALA 18 1HB ALA 18 -0.016 14.711 13.551 138 HB3 ALA 18 2HB ALA 18 0.689 16.102 12.701 139 H VAL 19 H VAL 19 -0.326 12.301 11.711 140 HA VAL 19 HA VAL 19 2.445 11.661 11.106 141 HB VAL 19 HB VAL 19 0.666 10.206 12.209 142 HG11 VAL 19 1HG1 VAL 19 -0.681 8.689 11.030 143 HG12 VAL 19 2HG1 VAL 19 -1.120 10.339 10.512 144 HG13 VAL 19 3HG1 VAL 19 -0.179 9.274 9.428 145 HG21 VAL 19 3HG2 VAL 19 2.878 9.288 11.762 146 HG22 VAL 19 1HG2 VAL 19 1.679 8.063 11.375 147 HG23 VAL 19 2HG2 VAL 19 2.467 8.937 10.054 148 H MET 20 H MET 20 -0.276 12.046 8.994 149 HA MET 20 HA MET 20 1.228 11.369 6.489 150 HB2 MET 20 1HB MET 20 -1.655 12.402 6.971 151 HB3 MET 20 2HB MET 20 -0.983 12.156 5.372 152 HG2 MET 20 1HG MET 20 -0.666 9.690 5.839 153 HG3 MET 20 2HG MET 20 -1.393 9.913 7.436 154 HE1 MET 20 3HE MET 20 -1.917 9.710 3.630 155 HE2 MET 20 1HE MET 20 -2.534 8.252 4.456 156 HE3 MET 20 2HE MET 20 -3.659 9.327 3.576 157 H SER 21 H SER 21 -0.244 14.328 7.934 158 HA SER 21 HA SER 21 0.854 16.101 5.906 159 HB2 SER 21 1HB SER 21 -0.986 16.703 7.694 160 HB3 SER 21 2HB SER 21 0.305 16.916 8.858 161 HG SER 21 HG SER 21 1.224 18.463 7.314 162 H LYS 22 H LYS 22 2.406 15.066 8.955 163 HA LYS 22 HA LYS 22 4.800 16.745 8.459 164 HB2 LYS 22 1HB LYS 22 5.341 16.336 10.533 165 HB3 LYS 22 2HB LYS 22 3.775 15.631 10.700 166 HG2 LYS 22 1HG LYS 22 4.832 13.885 11.586 167 HG3 LYS 22 2HG LYS 22 5.055 13.337 9.957 168 HD2 LYS 22 1HD LYS 22 7.273 13.263 10.388 169 HD3 LYS 22 2HD LYS 22 7.329 14.993 10.213 170 HE2 LYS 22 1HE LYS 22 6.965 13.390 12.848 171 HE3 LYS 22 2HE LYS 22 8.463 14.060 12.288 172 HZ1 LYS 22 3HZ LYS 22 6.085 15.726 13.133 173 HZ2 LYS 22 1HZ LYS 22 7.431 15.389 14.049 174 HZ3 LYS 22 2HZ LYS 22 7.566 16.338 12.692 175 H LEU 23 H LEU 23 3.932 13.575 7.376 176 HA LEU 23 HA LEU 23 6.501 13.038 5.923 177 HB2 LEU 23 1HB LEU 23 4.599 11.313 6.613 178 HB3 LEU 23 2HB LEU 23 3.698 11.974 5.278 179 HG LEU 23 HG LEU 23 5.981 11.472 3.892 180 HD11 LEU 23 1HD1 LEU 23 7.152 9.428 4.762 181 HD12 LEU 23 2HD1 LEU 23 7.315 10.746 5.931 182 HD13 LEU 23 3HD1 LEU 23 6.160 9.439 6.227 183 HD21 LEU 23 3HD2 LEU 23 5.043 9.216 3.317 184 HD22 LEU 23 1HD2 LEU 23 4.033 9.223 4.772 185 HD23 LEU 23 2HD2 LEU 23 3.726 10.386 3.461 186 H GLY 24 H GLY 24 3.492 14.749 5.278 187 HA2 GLY 24 1HA GLY 24 3.658 16.888 3.979 188 HA3 GLY 24 2HA GLY 24 4.817 16.159 2.897 189 H VAL 25 H VAL 25 1.565 15.188 3.965 190 HA VAL 25 HA VAL 25 0.972 14.241 1.237 191 HB VAL 25 HB VAL 25 -0.436 13.875 3.938 192 HG11 VAL 25 1HG1 VAL 25 -2.085 13.418 2.047 193 HG12 VAL 25 2HG1 VAL 25 -0.935 12.279 1.325 194 HG13 VAL 25 3HG1 VAL 25 -1.646 11.956 2.934 195 HG21 VAL 25 3HG2 VAL 25 0.631 11.573 3.827 196 HG22 VAL 25 1HG2 VAL 25 1.359 11.959 2.251 197 HG23 VAL 25 2HG2 VAL 25 1.872 12.836 3.716 198 H SER 26 H SER 26 -0.421 14.884 -0.147 199 HA SER 26 HA SER 26 -1.239 17.531 -0.272 200 HB2 SER 26 1HB SER 26 -2.324 15.169 -1.948 201 HB3 SER 26 2HB SER 26 -2.410 16.867 -2.415 202 HG SER 26 HG SER 26 -0.038 15.267 -2.001 203 H TRP 27 H TRP 27 -3.160 18.681 -0.504 204 HA TRP 27 HA TRP 27 -5.203 18.063 1.561 205 HB2 TRP 27 1HB TRP 27 -4.772 20.451 -0.339 206 HB3 TRP 27 2HB TRP 27 -6.156 20.364 0.723 207 HD1 TRP 27 HD1 TRP 27 -2.442 21.359 0.882 208 HE1 TRP 27 HE1 TRP 27 -1.918 22.415 3.221 209 HE3 TRP 27 HE3 TRP 27 -6.744 19.837 3.230 210 HZ2 TRP 27 HZ2 TRP 27 -3.244 22.392 5.743 211 HZ3 TRP 27 HZ3 TRP 27 -7.059 20.398 5.609 212 HH2 TRP 27 HH2 TRP 27 -5.358 21.681 6.852 213 H ALA 28 H ALA 28 -5.728 16.195 0.366 214 HA ALA 28 HA ALA 28 -8.556 16.042 -0.231 215 HB1 ALA 28 3HB ALA 28 -6.810 15.732 -2.787 216 HB2 ALA 28 1HB ALA 28 -8.516 15.242 -2.637 217 HB3 ALA 28 2HB ALA 28 -8.073 16.951 -2.525 218 H THR 29 H THR 29 -5.441 14.542 -1.001 219 HA THR 29 HA THR 29 -6.346 11.753 -0.460 220 HB THR 29 HB THR 29 -3.879 11.162 -0.619 221 HG1 THR 29 HG1 THR 29 -3.119 13.204 0.201 222 HG21 THR 29 3HG2 THR 29 -4.844 12.958 -2.923 223 HG22 THR 29 1HG2 THR 29 -3.452 11.883 -2.968 224 HG23 THR 29 2HG2 THR 29 -5.084 11.201 -2.748 225 H ARG 30 H ARG 30 -4.862 14.212 1.506 226 HA ARG 30 HA ARG 30 -4.225 12.433 3.793 227 HB2 ARG 30 1HB ARG 30 -3.324 14.885 3.175 228 HB3 ARG 30 2HB ARG 30 -4.806 15.443 3.877 229 HG2 ARG 30 1HG ARG 30 -3.988 13.870 5.978 230 HG3 ARG 30 2HG ARG 30 -2.440 13.970 5.160 231 HD2 ARG 30 1HD ARG 30 -4.176 16.330 6.124 232 HD3 ARG 30 2HD ARG 30 -2.737 15.681 6.928 233 HE ARG 30 HE ARG 30 -1.857 16.368 4.250 234 HH11 ARG 30 1HH1 ARG 30 -3.221 18.203 6.861 235 HH12 ARG 30 2HH1 ARG 30 -2.736 19.775 6.059 236 HH21 ARG 30 1HH2 ARG 30 -1.326 18.064 3.417 237 HH22 ARG 30 2HH2 ARG 30 -1.732 19.695 4.149 238 H GLN 31 H GLN 31 -7.070 13.791 2.473 239 HA GLN 31 HA GLN 31 -8.695 13.844 5.038 240 HB2 GLN 31 1HB GLN 31 -9.350 14.809 2.176 241 HB3 GLN 31 2HB GLN 31 -10.587 14.550 3.380 242 HG2 GLN 31 1HG GLN 31 -10.241 16.799 3.553 243 HG3 GLN 31 2HG GLN 31 -9.416 16.195 4.962 244 HE21 GLN 31 1HE2 GLN 31 -6.985 16.068 4.683 245 HE22 GLN 31 2HE2 GLN 31 -6.241 17.378 3.635 246 H ILE 32 H ILE 32 -8.408 12.066 1.980 247 HA ILE 32 HA ILE 32 -10.491 10.008 2.653 248 HB ILE 32 HB ILE 32 -8.524 10.448 0.401 249 HG12 ILE 32 1HG1 ILE 32 -10.521 9.682 -0.966 250 HG13 ILE 32 2HG1 ILE 32 -11.445 9.433 0.495 251 HG21 ILE 32 1HG2 ILE 32 -7.889 8.096 0.902 252 HG22 ILE 32 2HG2 ILE 32 -9.585 7.600 0.959 253 HG23 ILE 32 3HG2 ILE 32 -8.862 8.170 -0.566 254 HD11 ILE 32 3HD1 ILE 32 -11.909 11.633 -0.730 255 HD12 ILE 32 1HD1 ILE 32 -11.419 11.909 0.955 256 HD13 ILE 32 2HD1 ILE 32 -10.251 12.168 -0.356 257 H GLY 33 H GLY 33 -7.050 10.412 3.113 258 HA2 GLY 33 1HA GLY 33 -6.242 8.016 4.555 259 HA3 GLY 33 2HA GLY 33 -5.728 9.632 4.999 260 H ASN 34 H ASN 34 -7.678 10.907 6.172 261 HA ASN 34 HA ASN 34 -8.680 9.147 8.407 262 HB2 ASN 34 1HB ASN 34 -9.002 11.157 9.660 263 HB3 ASN 34 2HB ASN 34 -7.428 11.198 8.929 264 HD21 ASN 34 1HD2 ASN 34 -10.715 12.462 8.441 265 HD22 ASN 34 2HD2 ASN 34 -10.095 14.074 7.793 266 H THR 35 H THR 35 -10.031 8.710 5.927 267 HA THR 35 HA THR 35 -12.881 9.123 6.835 268 HB THR 35 HB THR 35 -11.918 10.208 4.138 269 HG1 THR 35 HG1 THR 35 -11.335 11.696 5.449 270 HG21 THR 35 3HG2 THR 35 -14.702 10.483 5.427 271 HG22 THR 35 1HG2 THR 35 -14.158 11.209 3.896 272 HG23 THR 35 2HG2 THR 35 -14.329 9.449 4.024 273 H VAL 36 H VAL 36 -11.138 8.038 3.845 274 HA VAL 36 HA VAL 36 -13.056 5.693 3.855 275 HB VAL 36 HB VAL 36 -11.587 6.722 1.380 276 HG11 VAL 36 1HG1 VAL 36 -13.334 5.279 0.221 277 HG12 VAL 36 2HG1 VAL 36 -12.450 4.297 1.393 278 HG13 VAL 36 3HG1 VAL 36 -14.081 4.890 1.774 279 HG21 VAL 36 3HG2 VAL 36 -13.954 7.633 0.704 280 HG22 VAL 36 1HG2 VAL 36 -14.304 7.628 2.468 281 HG23 VAL 36 2HG2 VAL 36 -12.982 8.581 1.850 282 H THR 37 H THR 37 -11.987 4.285 4.906 283 HA THR 37 HA THR 37 -9.616 4.073 5.807 284 HB THR 37 HB THR 37 -9.810 1.752 6.365 285 HG1 THR 37 HG1 THR 37 -10.378 1.159 4.059 286 HG21 THR 37 3HG2 THR 37 -12.006 1.697 7.369 287 HG22 THR 37 1HG2 THR 37 -11.781 3.451 7.072 288 HG23 THR 37 2HG2 THR 37 -12.765 2.478 5.985 289 HA PRO 38 HA PRO 38 -6.434 2.669 2.706 290 HB2 PRO 38 1HB PRO 38 -4.258 2.318 4.356 291 HB3 PRO 38 2HB PRO 38 -4.926 3.915 3.946 292 HG2 PRO 38 1HG PRO 38 -5.523 2.253 6.472 293 HG3 PRO 38 2HG PRO 38 -4.968 3.951 6.410 294 HD2 PRO 38 1HD PRO 38 -7.647 3.304 6.666 295 HD3 PRO 38 2HD PRO 38 -7.155 4.726 5.689 296 H THR 39 H THR 39 -7.797 0.954 2.283 297 HA THR 39 HA THR 39 -7.841 -1.479 3.885 298 HB THR 39 HB THR 39 -8.861 -1.088 1.046 299 HG1 THR 39 HG1 THR 39 -10.157 0.270 1.625 300 HG21 THR 39 3HG2 THR 39 -10.059 -2.752 3.359 301 HG22 THR 39 1HG2 THR 39 -10.733 -2.572 1.709 302 HG23 THR 39 2HG2 THR 39 -9.204 -3.397 1.937 303 H VAL 40 H VAL 40 -5.458 -1.656 3.661 304 HA VAL 40 HA VAL 40 -4.301 -2.534 1.089 305 HB VAL 40 HB VAL 40 -2.108 -2.627 2.135 306 HG11 VAL 40 1HG1 VAL 40 -1.877 -0.164 2.425 307 HG12 VAL 40 2HG1 VAL 40 -2.895 -0.567 1.044 308 HG13 VAL 40 3HG1 VAL 40 -3.646 0.015 2.548 309 HG21 VAL 40 3HG2 VAL 40 -2.537 -3.118 4.507 310 HG22 VAL 40 1HG2 VAL 40 -1.687 -1.583 4.361 311 HG23 VAL 40 2HG2 VAL 40 -3.432 -1.596 4.733 312 H THR 41 H THR 41 -5.136 -4.318 0.512 313 HA THR 41 HA THR 41 -6.035 -6.287 2.453 314 HB THR 41 HB THR 41 -6.438 -5.979 -0.536 315 HG1 THR 41 HG1 THR 41 -7.325 -4.384 0.811 316 HG21 THR 41 3HG2 THR 41 -7.798 -8.045 1.245 317 HG22 THR 41 1HG2 THR 41 -8.506 -7.380 -0.263 318 HG23 THR 41 2HG2 THR 41 -6.978 -8.274 -0.303 319 H PHE 42 H PHE 42 -4.862 -7.854 3.184 320 HA PHE 42 HA PHE 42 -2.289 -8.412 1.681 321 HB2 PHE 42 1HB PHE 42 -2.376 -7.482 4.082 322 HB3 PHE 42 2HB PHE 42 -3.075 -8.993 4.629 323 HD1 PHE 42 HD1 PHE 42 -0.070 -7.731 2.651 324 HD2 PHE 42 HD2 PHE 42 -1.546 -10.686 5.408 325 HE1 PHE 42 HE1 PHE 42 2.163 -8.696 2.831 326 HE2 PHE 42 HE2 PHE 42 0.738 -11.551 5.696 327 HZ PHE 42 HZ PHE 42 2.620 -10.528 4.450 328 H THR 43 H THR 43 -2.478 -10.000 0.371 329 HA THR 43 HA THR 43 -3.597 -12.695 1.258 330 HB THR 43 HB THR 43 -4.634 -12.870 -0.954 331 HG1 THR 43 HG1 THR 43 -3.498 -10.293 -1.397 332 HG21 THR 43 3HG2 THR 43 -5.462 -10.052 -0.044 333 HG22 THR 43 1HG2 THR 43 -6.477 -11.381 -0.658 334 HG23 THR 43 2HG2 THR 43 -5.786 -11.427 0.997 335 H MET 44 H MET 44 -2.478 -14.514 0.645 336 HA MET 44 HA MET 44 0.194 -14.132 -0.695 337 HB2 MET 44 1HB MET 44 0.800 -16.372 -0.101 338 HB3 MET 44 2HB MET 44 0.420 -15.319 1.242 339 HG2 MET 44 1HG MET 44 -1.740 -16.549 1.654 340 HG3 MET 44 2HG MET 44 -1.474 -17.528 0.209 341 HE1 MET 44 3HE MET 44 -0.443 -16.826 3.931 342 HE2 MET 44 1HE MET 44 0.963 -17.892 4.168 343 HE3 MET 44 2HE MET 44 1.138 -16.384 3.233 344 H ASP 45 H ASP 45 0.160 -13.993 -2.839 345 HA ASP 45 HA ASP 45 -1.750 -15.707 -4.473 346 HB2 ASP 45 1HB ASP 45 -1.654 -13.172 -4.663 347 HB3 ASP 45 2HB ASP 45 -0.022 -13.298 -5.317 348 H GLY 46 H GLY 46 -0.570 -17.592 -4.052 349 HA2 GLY 46 1HA GLY 46 0.565 -19.436 -5.164 350 HA3 GLY 46 2HA GLY 46 1.205 -18.329 -6.354 351 H ASP 47 H ASP 47 2.824 -16.835 -5.327 352 HA ASP 47 HA ASP 47 4.925 -18.357 -3.726 353 HB2 ASP 47 1HB ASP 47 5.819 -17.956 -5.952 354 HB3 ASP 47 2HB ASP 47 5.311 -16.275 -5.964 355 H LYS 48 H LYS 48 3.747 -15.059 -4.437 356 HA LYS 48 HA LYS 48 4.639 -14.253 -1.646 357 HB2 LYS 48 1HB LYS 48 5.887 -12.542 -2.487 358 HB3 LYS 48 2HB LYS 48 6.286 -13.979 -3.398 359 HG2 LYS 48 1HG LYS 48 4.817 -13.005 -5.330 360 HG3 LYS 48 2HG LYS 48 4.681 -11.536 -4.354 361 HD2 LYS 48 1HD LYS 48 7.244 -11.414 -4.257 362 HD3 LYS 48 2HD LYS 48 7.336 -12.838 -5.284 363 HE2 LYS 48 1HE LYS 48 6.130 -10.095 -6.067 364 HE3 LYS 48 2HE LYS 48 7.730 -10.690 -6.487 365 HZ1 LYS 48 2HZ LYS 48 6.604 -12.579 -7.666 366 HZ3 LYS 48 1HZ LYS 48 6.313 -11.108 -8.336 367 H MET 49 H MET 49 4.124 -11.773 -1.301 368 HA MET 49 HA MET 49 1.198 -12.226 -0.685 369 HB2 MET 49 1HB MET 49 3.303 -10.610 0.881 370 HB3 MET 49 2HB MET 49 1.577 -10.629 1.224 371 HG2 MET 49 1HG MET 49 2.539 -12.202 2.745 372 HG3 MET 49 2HG MET 49 1.659 -13.163 1.563 373 HE1 MET 49 3HE MET 49 4.320 -15.666 0.620 374 HE2 MET 49 1HE MET 49 2.873 -15.461 1.649 375 HE3 MET 49 2HE MET 49 2.847 -14.926 -0.052 376 H THR 50 H THR 50 -0.298 -10.738 -1.172 377 HA THR 50 HA THR 50 0.588 -8.444 -2.989 378 HB THR 50 HB THR 50 -1.788 -10.343 -3.464 379 HG1 THR 50 HG1 THR 50 0.309 -11.266 -3.800 380 HG21 THR 50 3HG2 THR 50 -2.135 -8.069 -4.461 381 HG22 THR 50 1HG2 THR 50 -0.554 -8.126 -5.232 382 HG23 THR 50 2HG2 THR 50 -1.818 -9.274 -5.731 383 H MET 51 H MET 51 -0.123 -6.666 -2.227 384 HA MET 51 HA MET 51 -2.428 -6.482 -0.264 385 HB2 MET 51 1HB MET 51 -0.275 -4.460 -1.028 386 HB3 MET 51 2HB MET 51 -1.803 -3.937 -0.331 387 HG2 MET 51 1HG MET 51 -1.552 -5.458 1.628 388 HG3 MET 51 2HG MET 51 -0.010 -6.060 1.010 389 HE1 MET 51 3HE MET 51 -1.015 -4.695 3.739 390 HE2 MET 51 1HE MET 51 0.656 -5.306 3.664 391 HE3 MET 51 2HE MET 51 0.328 -3.632 4.224 392 H LEU 52 H LEU 52 -4.142 -6.771 -1.472 393 HA LEU 52 HA LEU 52 -4.643 -5.356 -4.058 394 HB2 LEU 52 1HB LEU 52 -6.487 -7.142 -2.349 395 HB3 LEU 52 2HB LEU 52 -6.812 -6.646 -3.986 396 HG LEU 52 HG LEU 52 -4.291 -8.279 -3.223 397 HD11 LEU 52 1HD1 LEU 52 -5.968 -9.712 -2.527 398 HD12 LEU 52 2HD1 LEU 52 -7.092 -9.332 -3.881 399 HD13 LEU 52 3HD1 LEU 52 -5.606 -10.275 -4.150 400 HD21 LEU 52 3HD2 LEU 52 -5.659 -7.708 -5.935 401 HD22 LEU 52 1HD2 LEU 52 -4.066 -7.152 -5.323 402 HD23 LEU 52 2HD2 LEU 52 -4.331 -8.869 -5.681 403 H THR 53 H THR 53 -4.167 -3.359 -2.817 404 HA THR 53 HA THR 53 -5.663 -2.259 -0.753 405 HB THR 53 HB THR 53 -4.124 -0.809 -2.946 406 HG1 THR 53 HG1 THR 53 -2.422 -1.077 -1.576 407 HG21 THR 53 3HG2 THR 53 -5.398 0.842 -1.495 408 HG22 THR 53 1HG2 THR 53 -4.737 0.094 -0.049 409 HG23 THR 53 2HG2 THR 53 -3.654 0.934 -1.210 410 H GLU 54 H GLU 54 -7.546 -1.389 -0.497 411 HA GLU 54 HA GLU 54 -9.184 -0.495 -2.926 412 HB2 GLU 54 1HB GLU 54 -9.477 -2.852 -2.042 413 HB3 GLU 54 2HB GLU 54 -10.003 -2.250 -0.489 414 HG2 GLU 54 1HG GLU 54 -11.442 -1.819 -3.171 415 HG3 GLU 54 2HG GLU 54 -11.753 -3.116 -2.037 416 H SER 55 H SER 55 -8.602 1.603 -2.429 417 HA SER 55 HA SER 55 -10.211 2.948 -0.182 418 HB2 SER 55 1HB SER 55 -7.350 3.603 -1.160 419 HB3 SER 55 2HB SER 55 -8.292 4.678 -0.122 420 HG SER 55 HG SER 55 -8.450 2.952 1.419 421 H THR 56 H THR 56 -10.882 5.220 -0.784 422 HA THR 56 HA THR 56 -11.775 5.553 -3.485 423 HB THR 56 HB THR 56 -11.443 7.591 -1.239 424 HG1 THR 56 HG1 THR 56 -13.804 6.730 -2.462 425 HG21 THR 56 3HG2 THR 56 -13.069 9.070 -2.434 426 HG22 THR 56 1HG2 THR 56 -11.538 9.014 -3.314 427 HG23 THR 56 2HG2 THR 56 -12.924 8.090 -3.915 428 H PHE 57 H PHE 57 -8.713 6.730 -2.217 429 HA PHE 57 HA PHE 57 -8.026 7.909 -4.945 430 HB2 PHE 57 1HB PHE 57 -7.004 8.456 -2.132 431 HB3 PHE 57 2HB PHE 57 -5.811 8.504 -3.367 432 HD1 PHE 57 HD1 PHE 57 -6.285 10.003 -5.548 433 HD2 PHE 57 HD2 PHE 57 -8.589 10.292 -1.929 434 HE1 PHE 57 HE1 PHE 57 -7.061 12.238 -6.215 435 HE2 PHE 57 HE2 PHE 57 -9.437 12.455 -2.646 436 HZ PHE 57 HZ PHE 57 -8.646 13.484 -4.773 437 H LYS 58 H LYS 58 -7.127 5.267 -2.867 438 HA LYS 58 HA LYS 58 -5.405 4.191 -5.173 439 HB2 LYS 58 1HB LYS 58 -4.713 3.768 -2.201 440 HB3 LYS 58 2HB LYS 58 -4.056 2.837 -3.537 441 HG2 LYS 58 1HG LYS 58 -3.257 5.128 -4.566 442 HG3 LYS 58 2HG LYS 58 -3.594 5.839 -3.002 443 HD2 LYS 58 1HD LYS 58 -1.697 3.439 -3.550 444 HD3 LYS 58 2HD LYS 58 -1.184 5.110 -3.410 445 HE2 LYS 58 1HE LYS 58 -2.009 5.196 -1.006 446 HE3 LYS 58 2HE LYS 58 -2.553 3.520 -1.133 447 HZ1 LYS 58 3HZ LYS 58 -0.246 3.479 -0.211 448 HZ2 LYS 58 1HZ LYS 58 -0.115 2.859 -1.716 449 HZ3 LYS 58 2HZ LYS 58 0.339 4.398 -1.434 450 H ASN 59 H ASN 59 -7.673 3.486 -5.679 451 HA ASN 59 HA ASN 59 -8.174 0.730 -4.471 452 HB2 ASN 59 1HB ASN 59 -9.914 2.660 -5.571 453 HB3 ASN 59 2HB ASN 59 -9.790 1.523 -6.876 454 HD21 ASN 59 1HD2 ASN 59 -11.137 2.132 -3.857 455 HD22 ASN 59 2HD2 ASN 59 -11.948 0.506 -3.605 456 H LEU 60 H LEU 60 -6.217 -0.220 -4.997 457 HA LEU 60 HA LEU 60 -5.761 -1.183 -7.748 458 HB2 LEU 60 1HB LEU 60 -3.570 -0.012 -8.156 459 HB3 LEU 60 2HB LEU 60 -4.944 1.053 -8.069 460 HG LEU 60 HG LEU 60 -4.236 1.332 -5.469 461 HD11 LEU 60 1HD1 LEU 60 -2.277 -0.280 -5.497 462 HD12 LEU 60 2HD1 LEU 60 -1.522 0.623 -6.817 463 HD13 LEU 60 3HD1 LEU 60 -1.715 1.364 -5.214 464 HD21 LEU 60 3HD2 LEU 60 -2.735 2.733 -7.796 465 HD22 LEU 60 1HD2 LEU 60 -4.336 3.188 -7.166 466 HD23 LEU 60 2HD2 LEU 60 -2.902 3.348 -6.133 467 H SER 61 H SER 61 -4.077 -2.792 -7.988 468 HA SER 61 HA SER 61 -3.356 -4.094 -5.369 469 HB2 SER 61 1HB SER 61 -2.843 -6.103 -6.765 470 HB3 SER 61 2HB SER 61 -4.458 -5.470 -7.118 471 HG SER 61 HG SER 61 -2.155 -4.730 -8.631 472 H VAL 62 H VAL 62 -1.357 -4.492 -4.593 473 HA VAL 62 HA VAL 62 1.074 -4.110 -6.395 474 HB VAL 62 HB VAL 62 1.748 -3.543 -3.568 475 HG11 VAL 62 1HG1 VAL 62 2.237 -1.959 -6.176 476 HG12 VAL 62 2HG1 VAL 62 3.034 -1.671 -4.619 477 HG13 VAL 62 3HG1 VAL 62 3.315 -3.189 -5.476 478 HG21 VAL 62 3HG2 VAL 62 -0.449 -2.315 -3.454 479 HG22 VAL 62 1HG2 VAL 62 0.940 -1.211 -3.402 480 HG23 VAL 62 2HG2 VAL 62 -0.009 -1.390 -4.906 481 H THR 63 H THR 63 2.864 -5.424 -5.882 482 HA THR 63 HA THR 63 2.212 -7.954 -4.301 483 HB THR 63 HB THR 63 3.277 -8.033 -7.177 484 HG1 THR 63 HG1 THR 63 0.847 -9.150 -6.444 485 HG21 THR 63 3HG2 THR 63 2.798 -10.480 -7.052 486 HG22 THR 63 1HG2 THR 63 3.921 -10.048 -5.752 487 HG23 THR 63 2HG2 THR 63 2.231 -10.329 -5.373 488 H PHE 64 H PHE 64 3.849 -8.955 -3.377 489 HA PHE 64 HA PHE 64 6.731 -8.233 -3.671 490 HB2 PHE 64 1HB PHE 64 6.949 -6.956 -1.550 491 HB3 PHE 64 2HB PHE 64 5.945 -6.158 -2.714 492 HD1 PHE 64 HD1 PHE 64 5.825 -8.079 0.503 493 HD2 PHE 64 HD2 PHE 64 3.568 -5.670 -2.254 494 HE1 PHE 64 HE1 PHE 64 4.125 -7.684 2.234 495 HE2 PHE 64 HE2 PHE 64 1.845 -5.336 -0.551 496 HZ PHE 64 HZ PHE 64 2.133 -6.311 1.731 497 H LYS 65 H LYS 65 8.173 -9.236 -2.163 498 HA LYS 65 HA LYS 65 6.931 -11.360 -0.360 499 HB2 LYS 65 1HB LYS 65 8.556 -12.961 -0.732 500 HB3 LYS 65 2HB LYS 65 8.017 -12.420 -2.295 501 HG2 LYS 65 1HG LYS 65 10.077 -11.181 -2.729 502 HG3 LYS 65 2HG LYS 65 10.653 -11.395 -1.088 503 HD2 LYS 65 1HD LYS 65 11.831 -12.861 -2.509 504 HD3 LYS 65 2HD LYS 65 10.893 -13.865 -1.430 505 HE2 LYS 65 1HE LYS 65 9.830 -13.124 -4.249 506 HE3 LYS 65 2HE LYS 65 11.087 -14.344 -4.089 507 HZ1 LYS 65 3HZ LYS 65 8.591 -14.666 -2.446 508 HZ2 LYS 65 1HZ LYS 65 8.539 -15.135 -4.025 509 HZ3 LYS 65 2HZ LYS 65 9.583 -15.848 -3.001 510 H PHE 66 H PHE 66 8.546 -12.188 1.301 511 HA PHE 66 HA PHE 66 8.970 -9.921 3.207 512 HB2 PHE 66 1HB PHE 66 9.574 -11.792 4.796 513 HB3 PHE 66 2HB PHE 66 7.931 -11.577 4.284 514 HD1 PHE 66 HD1 PHE 66 10.972 -13.779 3.655 515 HD2 PHE 66 HD2 PHE 66 6.694 -13.401 3.293 516 HE1 PHE 66 HE1 PHE 66 10.817 -16.132 2.974 517 HE2 PHE 66 HE2 PHE 66 6.563 -15.752 2.583 518 HZ PHE 66 HZ PHE 66 8.611 -17.130 2.437 519 H GLY 67 H GLY 67 10.446 -9.063 1.794 520 HA2 GLY 67 1HA GLY 67 13.285 -9.061 2.581 521 HA3 GLY 67 2HA GLY 67 13.065 -10.109 1.173 522 H GLU 68 H GLU 68 11.017 -8.523 -0.102 523 HA GLU 68 HA GLU 68 12.730 -6.822 -1.707 524 HB2 GLU 68 1HB GLU 68 9.651 -6.758 -1.671 525 HB3 GLU 68 2HB GLU 68 10.709 -6.155 -2.941 526 HG2 GLU 68 1HG GLU 68 10.252 -9.068 -2.142 527 HG3 GLU 68 2HG GLU 68 9.699 -8.258 -3.610 528 H GLU 69 H GLU 69 12.942 -4.685 -1.881 529 HA GLU 69 HA GLU 69 11.439 -2.729 -0.092 530 HB2 GLU 69 1HB GLU 69 12.831 -0.954 -0.946 531 HB3 GLU 69 2HB GLU 69 13.662 -2.181 -0.017 532 HG2 GLU 69 1HG GLU 69 14.743 -3.126 -2.048 533 HG3 GLU 69 2HG GLU 69 13.795 -2.088 -3.106 534 H PHE 70 H PHE 70 9.440 -3.341 -1.051 535 HA PHE 70 HA PHE 70 9.053 -3.276 -3.951 536 HB2 PHE 70 1HB PHE 70 7.016 -4.134 -3.778 537 HB3 PHE 70 2HB PHE 70 7.838 -4.782 -2.397 538 HD1 PHE 70 HD1 PHE 70 7.154 -3.988 -0.080 539 HD2 PHE 70 HD2 PHE 70 5.062 -2.610 -3.560 540 HE1 PHE 70 HE1 PHE 70 5.263 -3.306 1.334 541 HE2 PHE 70 HE2 PHE 70 3.180 -1.880 -2.139 542 HZ PHE 70 HZ PHE 70 3.265 -2.225 0.306 543 H ASP 71 H ASP 71 8.161 -1.709 -5.354 544 HA ASP 71 HA ASP 71 8.054 1.036 -4.310 545 HB2 ASP 71 1HB ASP 71 7.998 1.786 -6.566 546 HB3 ASP 71 2HB ASP 71 9.215 0.552 -6.363 547 H GLU 72 H GLU 72 6.441 2.536 -4.339 548 HA GLU 72 HA GLU 72 3.777 1.829 -5.595 549 HB2 GLU 72 1HB GLU 72 3.928 3.107 -2.784 550 HB3 GLU 72 2HB GLU 72 2.544 3.246 -3.865 551 HG2 GLU 72 1HG GLU 72 2.375 0.662 -3.868 552 HG3 GLU 72 2HG GLU 72 3.591 0.646 -2.593 553 H LYS 73 H LYS 73 3.437 3.329 -7.059 554 HA LYS 73 HA LYS 73 4.419 6.197 -6.684 555 HB2 LYS 73 1HB LYS 73 4.602 5.138 -8.966 556 HB3 LYS 73 2HB LYS 73 2.866 4.961 -9.054 557 HG2 LYS 73 1HG LYS 73 3.638 7.807 -8.388 558 HG3 LYS 73 2HG LYS 73 4.542 7.219 -9.754 559 HD2 LYS 73 1HD LYS 73 2.661 8.300 -10.648 560 HD3 LYS 73 2HD LYS 73 2.409 6.585 -10.951 561 HE2 LYS 73 1HE LYS 73 0.799 6.450 -8.992 562 HE3 LYS 73 2HE LYS 73 1.123 8.132 -8.572 563 HZ1 LYS 73 3HZ LYS 73 -0.066 7.223 -11.203 564 HZ2 LYS 73 1HZ LYS 73 -0.916 7.942 -9.991 565 HZ3 LYS 73 2HZ LYS 73 0.226 8.790 -10.816 566 H THR 74 H THR 74 3.226 7.431 -5.457 567 HA THR 74 HA THR 74 0.661 6.431 -4.463 568 HB THR 74 HB THR 74 0.923 8.250 -2.761 569 HG1 THR 74 HG1 THR 74 3.416 8.853 -3.874 570 HG21 THR 74 3HG2 THR 74 3.149 7.540 -1.814 571 HG22 THR 74 1HG2 THR 74 2.196 6.130 -2.345 572 HG23 THR 74 2HG2 THR 74 3.547 6.705 -3.334 573 H SER 75 H SER 75 -1.346 7.488 -4.277 574 HA SER 75 HA SER 75 -2.369 9.286 -6.277 575 HB2 SER 75 1HB SER 75 -4.271 9.509 -4.747 576 HB3 SER 75 2HB SER 75 -3.775 7.830 -4.900 577 HG SER 75 HG SER 75 -3.152 9.617 -2.754 578 H ASP 76 H ASP 76 -0.757 10.083 -3.264 579 HA ASP 76 HA ASP 76 -1.164 12.966 -3.208 580 HB2 ASP 76 1HB ASP 76 -0.415 11.454 -1.354 581 HB3 ASP 76 2HB ASP 76 1.076 11.092 -2.223 582 H GLY 77 H GLY 77 0.939 10.958 -5.110 583 HA2 GLY 77 1HA GLY 77 1.761 11.689 -7.311 584 HA3 GLY 77 2HA GLY 77 1.887 13.343 -6.742 585 H ARG 78 H ARG 78 3.223 10.225 -5.582 586 HA ARG 78 HA ARG 78 6.048 11.299 -5.636 587 HB2 ARG 78 1HB ARG 78 4.691 10.488 -2.960 588 HB3 ARG 78 2HB ARG 78 6.362 10.963 -3.217 589 HG2 ARG 78 1HG ARG 78 5.289 13.250 -4.132 590 HG3 ARG 78 2HG ARG 78 3.824 12.708 -3.349 591 HD2 ARG 78 1HD ARG 78 6.533 12.912 -1.850 592 HD3 ARG 78 2HD ARG 78 5.482 14.314 -2.095 593 HE ARG 78 HE ARG 78 3.593 12.672 -0.957 594 HH11 ARG 78 1HH1 ARG 78 6.767 13.607 0.150 595 HH12 ARG 78 2HH1 ARG 78 6.177 13.533 1.892 596 HH21 ARG 78 1HH2 ARG 78 3.064 12.606 0.811 597 HH22 ARG 78 2HH2 ARG 78 4.174 12.902 2.267 598 H ASN 79 H ASN 79 7.252 9.654 -6.217 599 HA ASN 79 HA ASN 79 6.440 6.804 -6.007 600 HB2 ASN 79 1HB ASN 79 8.504 6.190 -7.060 601 HB3 ASN 79 2HB ASN 79 7.622 7.380 -7.967 602 HD21 ASN 79 1HD2 ASN 79 8.701 9.327 -8.461 603 HD22 ASN 79 2HD2 ASN 79 10.446 9.579 -7.937 604 H VAL 80 H VAL 80 6.766 5.431 -4.366 605 HA VAL 80 HA VAL 80 8.923 6.028 -2.286 606 HB VAL 80 HB VAL 80 7.507 5.588 -0.460 607 HG11 VAL 80 1HG1 VAL 80 5.889 7.460 -0.457 608 HG12 VAL 80 2HG1 VAL 80 7.326 7.945 -1.382 609 HG13 VAL 80 3HG1 VAL 80 5.840 7.503 -2.229 610 HG21 VAL 80 3HG2 VAL 80 5.073 5.033 -2.280 611 HG22 VAL 80 1HG2 VAL 80 5.944 3.811 -1.329 612 HG23 VAL 80 2HG2 VAL 80 5.074 5.111 -0.501 613 H LYS 81 H LYS 81 9.349 4.122 -0.923 614 HA LYS 81 HA LYS 81 8.758 1.500 -2.250 615 HB2 LYS 81 1HB LYS 81 10.947 0.691 -2.410 616 HB3 LYS 81 2HB LYS 81 10.886 2.249 -3.204 617 HG2 LYS 81 1HG LYS 81 11.969 3.294 -1.086 618 HG3 LYS 81 2HG LYS 81 12.116 1.649 -0.434 619 HD2 LYS 81 1HD LYS 81 13.421 0.988 -2.544 620 HD3 LYS 81 2HD LYS 81 13.364 2.671 -3.078 621 HE2 LYS 81 1HE LYS 81 14.623 3.387 -0.967 622 HE3 LYS 81 2HE LYS 81 14.610 1.701 -0.402 623 HZ1 LYS 81 3HZ LYS 81 16.720 2.018 -1.596 624 HZ2 LYS 81 1HZ LYS 81 15.773 0.995 -2.464 625 HZ3 LYS 81 2HZ LYS 81 15.953 2.562 -2.977 626 H SER 82 H SER 82 9.329 -0.381 -0.744 627 HA SER 82 HA SER 82 9.228 0.383 2.187 628 HB2 SER 82 1HB SER 82 6.899 0.423 1.152 629 HB3 SER 82 2HB SER 82 7.041 -1.307 0.863 630 HG SER 82 HG SER 82 6.120 -0.306 2.979 631 H VAL 83 H VAL 83 10.502 -0.862 3.326 632 HA VAL 83 HA VAL 83 11.464 -3.552 2.379 633 HB VAL 83 HB VAL 83 12.996 -1.917 3.284 634 HG11 VAL 83 1HG1 VAL 83 11.835 -2.382 6.081 635 HG12 VAL 83 2HG1 VAL 83 13.355 -1.553 5.676 636 HG13 VAL 83 3HG1 VAL 83 11.819 -0.876 5.108 637 HG21 VAL 83 3HG2 VAL 83 13.590 -4.343 3.220 638 HG22 VAL 83 1HG2 VAL 83 14.350 -3.526 4.607 639 HG23 VAL 83 2HG2 VAL 83 12.930 -4.561 4.860 640 H VAL 84 H VAL 84 10.241 -5.205 2.556 641 HA VAL 84 HA VAL 84 8.141 -5.471 4.693 642 HB VAL 84 HB VAL 84 8.880 -7.388 2.407 643 HG11 VAL 84 1HG1 VAL 84 7.364 -8.347 4.290 644 HG12 VAL 84 2HG1 VAL 84 6.152 -7.124 3.869 645 HG13 VAL 84 3HG1 VAL 84 6.633 -8.360 2.675 646 HG21 VAL 84 3HG2 VAL 84 7.380 -6.398 0.917 647 HG22 VAL 84 1HG2 VAL 84 6.506 -5.458 2.145 648 HG23 VAL 84 2HG2 VAL 84 8.119 -4.972 1.617 649 H GLU 85 H GLU 85 8.373 -6.569 6.420 650 HA GLU 85 HA GLU 85 10.312 -8.919 6.727 651 HB2 GLU 85 1HB GLU 85 10.085 -6.288 8.352 652 HB3 GLU 85 2HB GLU 85 10.721 -7.750 9.100 653 HG2 GLU 85 1HG GLU 85 12.646 -7.797 7.501 654 HG3 GLU 85 2HG GLU 85 12.016 -6.365 6.683 655 H LYS 86 H LYS 86 9.045 -10.590 7.515 656 HA LYS 86 HA LYS 86 7.027 -9.925 9.661 657 HB2 LYS 86 1HB LYS 86 5.773 -11.630 9.517 658 HB3 LYS 86 2HB LYS 86 6.148 -11.415 7.835 659 HG2 LYS 86 1HG LYS 86 7.288 -13.527 9.767 660 HG3 LYS 86 2HG LYS 86 5.998 -13.756 8.589 661 HD2 LYS 86 1HD LYS 86 7.636 -13.199 6.706 662 HD3 LYS 86 2HD LYS 86 8.921 -13.010 7.902 663 HE2 LYS 86 1HE LYS 86 8.569 -15.446 8.648 664 HE3 LYS 86 2HE LYS 86 7.347 -15.637 7.383 665 HZ1 LYS 86 3HZ LYS 86 9.507 -16.319 6.427 666 HZ2 LYS 86 1HZ LYS 86 9.157 -14.860 5.744 667 HZ3 LYS 86 2HZ LYS 86 10.259 -14.951 6.949 668 H ASN 87 H ASN 87 7.807 -9.897 11.590 669 HA ASN 87 HA ASN 87 10.698 -10.806 12.014 670 HB2 ASN 87 1HB ASN 87 9.005 -9.051 13.891 671 HB3 ASN 87 2HB ASN 87 10.696 -9.433 14.073 672 HD21 ASN 87 1HD2 ASN 87 12.062 -8.733 12.073 673 HD22 ASN 87 2HD2 ASN 87 11.644 -7.106 11.361 674 H SER 88 H SER 88 7.645 -10.952 13.717 675 HA SER 88 HA SER 88 7.983 -13.962 13.903 676 HB2 SER 88 1HB SER 88 6.390 -12.214 15.917 677 HB3 SER 88 2HB SER 88 6.200 -13.967 15.764 678 HG SER 88 HG SER 88 7.719 -13.336 17.385 679 H GLU 89 H GLU 89 5.710 -14.964 13.634 680 HA GLU 89 HA GLU 89 4.029 -13.437 11.620 681 HB2 GLU 89 1HB GLU 89 4.580 -16.058 11.512 682 HB3 GLU 89 2HB GLU 89 3.236 -16.204 12.643 683 HG2 GLU 89 1HG GLU 89 1.854 -14.740 10.901 684 HG3 GLU 89 2HG GLU 89 3.231 -14.899 9.833 685 H SER 90 H SER 90 4.279 -12.743 14.450 686 HA SER 90 HA SER 90 1.602 -11.533 14.307 687 HB2 SER 90 1HB SER 90 1.177 -11.496 16.818 688 HB3 SER 90 2HB SER 90 1.117 -13.120 16.131 689 HG SER 90 HG SER 90 3.277 -13.404 16.855 690 H LYS 91 H LYS 91 4.348 -10.710 13.569 691 HA LYS 91 HA LYS 91 4.210 -7.958 14.678 692 HB2 LYS 91 1HB LYS 91 5.493 -9.588 16.408 693 HB3 LYS 91 2HB LYS 91 6.804 -9.572 15.266 694 HG2 LYS 91 1HG LYS 91 5.585 -7.272 16.882 695 HG3 LYS 91 2HG LYS 91 7.155 -8.028 17.093 696 HD2 LYS 91 1HD LYS 91 7.780 -7.097 14.721 697 HD3 LYS 91 2HD LYS 91 6.281 -6.190 14.767 698 HE2 LYS 91 1HE LYS 91 8.619 -5.922 16.798 699 HE3 LYS 91 2HE LYS 91 8.278 -4.847 15.443 700 HZ1 LYS 91 3HZ LYS 91 5.830 -4.803 16.658 701 HZ2 LYS 91 1HZ LYS 91 6.706 -5.073 17.991 702 HZ3 LYS 91 2HZ LYS 91 6.995 -3.716 17.095 703 H LEU 92 H LEU 92 4.028 -7.446 12.477 704 HA LEU 92 HA LEU 92 6.373 -8.126 10.610 705 HB2 LEU 92 1HB LEU 92 4.057 -9.075 10.245 706 HB3 LEU 92 2HB LEU 92 3.419 -7.481 9.965 707 HG LEU 92 HG LEU 92 5.582 -8.876 8.327 708 HD11 LEU 92 1HD1 LEU 92 3.761 -9.350 6.657 709 HD12 LEU 92 2HD1 LEU 92 3.412 -10.100 8.218 710 HD13 LEU 92 3HD1 LEU 92 2.555 -8.618 7.742 711 HD21 LEU 92 3HD2 LEU 92 4.859 -7.216 6.457 712 HD22 LEU 92 1HD2 LEU 92 4.092 -6.239 7.736 713 HD23 LEU 92 2HD2 LEU 92 5.833 -6.539 7.740 714 H THR 93 H THR 93 7.392 -6.435 9.416 715 HA THR 93 HA THR 93 6.749 -3.595 10.432 716 HB THR 93 HB THR 93 9.432 -5.046 10.542 717 HG1 THR 93 HG1 THR 93 8.747 -5.604 12.336 718 HG21 THR 93 3HG2 THR 93 10.224 -2.957 11.794 719 HG22 THR 93 1HG2 THR 93 9.994 -2.746 10.054 720 HG23 THR 93 2HG2 THR 93 8.789 -2.094 11.171 721 H GLN 94 H GLN 94 5.806 -3.532 8.400 722 HA GLN 94 HA GLN 94 7.454 -3.704 5.914 723 HB2 GLN 94 1HB GLN 94 5.057 -4.503 6.190 724 HB3 GLN 94 2HB GLN 94 4.550 -2.814 6.295 725 HG2 GLN 94 1HG GLN 94 5.723 -2.545 3.910 726 HG3 GLN 94 2HG GLN 94 5.831 -4.287 3.907 727 HE21 GLN 94 1HE2 GLN 94 3.834 -1.664 3.201 728 HE22 GLN 94 2HE2 GLN 94 2.366 -2.689 2.808 729 H THR 95 H THR 95 8.989 -2.036 6.322 730 HA THR 95 HA THR 95 8.033 0.628 7.287 731 HB THR 95 HB THR 95 10.919 -0.259 6.878 732 HG1 THR 95 HG1 THR 95 9.887 -1.554 8.288 733 HG21 THR 95 3HG2 THR 95 10.878 2.185 7.107 734 HG22 THR 95 1HG2 THR 95 9.630 2.120 8.360 735 HG23 THR 95 2HG2 THR 95 11.250 1.498 8.700 736 H GLN 96 H GLN 96 7.319 2.104 5.906 737 HA GLN 96 HA GLN 96 7.933 2.007 3.014 738 HB2 GLN 96 1HB GLN 96 6.412 4.260 4.433 739 HB3 GLN 96 2HB GLN 96 6.459 3.951 2.731 740 HG2 GLN 96 1HG GLN 96 5.189 2.076 4.842 741 HG3 GLN 96 2HG GLN 96 4.346 3.338 3.995 742 HE21 GLN 96 1HE2 GLN 96 4.464 3.111 1.501 743 HE22 GLN 96 2HE2 GLN 96 4.051 1.410 0.951 744 H VAL 97 H VAL 97 9.535 3.074 1.959 745 HA VAL 97 HA VAL 97 11.205 5.163 3.466 746 HB VAL 97 HB VAL 97 12.027 3.146 1.291 747 HG11 VAL 97 1HG1 VAL 97 13.255 5.294 0.886 748 HG12 VAL 97 2HG1 VAL 97 13.562 5.453 2.627 749 HG13 VAL 97 3HG1 VAL 97 14.371 4.166 1.688 750 HG21 VAL 97 3HG2 VAL 97 11.944 2.134 3.593 751 HG22 VAL 97 1HG2 VAL 97 13.629 2.354 3.099 752 HG23 VAL 97 2HG2 VAL 97 12.881 3.488 4.257 753 H ASP 98 H ASP 98 9.593 6.656 2.919 754 HA ASP 98 HA ASP 98 8.971 7.450 0.201 755 HB2 ASP 98 1HB ASP 98 8.593 8.910 2.906 756 HB3 ASP 98 2HB ASP 98 7.655 9.197 1.476 757 HA PRO 99 HA PRO 99 12.096 10.970 -0.022 758 HB2 PRO 99 1HB PRO 99 10.645 13.161 -0.990 759 HB3 PRO 99 2HB PRO 99 11.186 11.783 -1.971 760 HG2 PRO 99 1HG PRO 99 8.432 12.138 -0.644 761 HG3 PRO 99 2HG PRO 99 8.763 11.760 -2.360 762 HD2 PRO 99 1HD PRO 99 8.145 9.788 -0.555 763 HD3 PRO 99 2HD PRO 99 9.378 9.464 -1.813 764 H LYS 100 H LYS 100 9.663 10.913 2.180 765 HA LYS 100 HA LYS 100 11.264 12.811 3.956 766 HB2 LYS 100 1HB LYS 100 8.305 12.739 3.706 767 HB3 LYS 100 2HB LYS 100 8.719 12.183 5.285 768 HG2 LYS 100 1HG LYS 100 9.767 14.834 4.112 769 HG3 LYS 100 2HG LYS 100 8.286 14.654 5.051 770 HD2 LYS 100 1HD LYS 100 9.640 13.652 6.981 771 HD3 LYS 100 2HD LYS 100 11.121 13.953 6.070 772 HE2 LYS 100 1HE LYS 100 10.505 16.467 5.990 773 HE3 LYS 100 2HE LYS 100 9.075 16.113 6.975 774 HZ1 LYS 100 3HZ LYS 100 10.617 15.176 8.725 775 HZ2 LYS 100 1HZ LYS 100 11.927 15.526 7.812 776 HZ3 LYS 100 2HZ LYS 100 11.016 16.748 8.431 777 H ASN 101 H ASN 101 10.871 9.574 3.327 778 HA ASN 101 HA ASN 101 10.914 7.578 4.441 779 HB2 ASN 101 1HB ASN 101 13.184 8.565 4.806 780 HB3 ASN 101 2HB ASN 101 12.737 9.025 6.436 781 HD21 ASN 101 1HD2 ASN 101 12.540 7.304 7.980 782 HD22 ASN 101 2HD2 ASN 101 13.090 5.600 7.546 783 H THR 102 H THR 102 9.121 6.630 5.272 784 HA THR 102 HA THR 102 7.792 7.719 7.730 785 HB THR 102 HB THR 102 7.170 5.134 6.225 786 HG1 THR 102 HG1 THR 102 6.779 6.797 4.735 787 HG21 THR 102 3HG2 THR 102 4.947 5.294 7.239 788 HG22 THR 102 1HG2 THR 102 6.096 5.456 8.592 789 HG23 THR 102 2HG2 THR 102 5.285 6.887 7.923 790 H THR 103 H THR 103 8.109 6.796 9.779 791 HA THR 103 HA THR 103 10.677 5.251 10.069 792 HB THR 103 HB THR 103 8.915 6.792 12.007 793 HG1 THR 103 HG1 THR 103 10.419 7.628 10.206 794 HG21 THR 103 3HG2 THR 103 11.768 5.697 12.525 795 HG22 THR 103 1HG2 THR 103 10.787 6.693 13.625 796 HG23 THR 103 2HG2 THR 103 10.287 5.031 13.245 797 H VAL 104 H VAL 104 10.805 3.274 11.088 798 HA VAL 104 HA VAL 104 9.513 1.174 10.344 799 HB VAL 104 HB VAL 104 9.873 -0.156 12.333 800 HG11 VAL 104 1HG1 VAL 104 12.293 1.536 11.448 801 HG12 VAL 104 2HG1 VAL 104 12.346 -0.057 12.234 802 HG13 VAL 104 3HG1 VAL 104 11.636 0.101 10.624 803 HG21 VAL 104 3HG2 VAL 104 9.592 1.523 14.214 804 HG22 VAL 104 1HG2 VAL 104 11.166 0.718 14.277 805 HG23 VAL 104 2HG2 VAL 104 11.042 2.385 13.669 806 H ILE 105 H ILE 105 7.444 1.113 9.747 807 HA ILE 105 HA ILE 105 5.291 1.587 11.718 808 HB ILE 105 HB ILE 105 3.720 1.531 9.998 809 HG12 ILE 105 1HG1 ILE 105 4.648 1.605 7.515 810 HG13 ILE 105 2HG1 ILE 105 5.925 0.563 8.086 811 HG21 ILE 105 1HG2 ILE 105 6.230 3.127 9.163 812 HG22 ILE 105 2HG2 ILE 105 4.561 3.515 8.743 813 HG23 ILE 105 3HG2 ILE 105 5.097 3.598 10.435 814 HD11 ILE 105 3HD1 ILE 105 3.034 -0.304 8.647 815 HD12 ILE 105 1HD1 ILE 105 3.672 -0.372 6.972 816 HD13 ILE 105 2HD1 ILE 105 4.462 -1.283 8.261 817 H VAL 106 H VAL 106 6.364 -0.214 12.907 818 HA VAL 106 HA VAL 106 5.987 -2.951 12.393 819 HB VAL 106 HB VAL 106 6.290 -3.495 14.685 820 HG11 VAL 106 1HG1 VAL 106 8.315 -2.574 13.506 821 HG12 VAL 106 2HG1 VAL 106 7.983 -0.962 14.156 822 HG13 VAL 106 3HG1 VAL 106 8.390 -2.296 15.248 823 HG21 VAL 106 3HG2 VAL 106 6.465 -1.505 16.497 824 HG22 VAL 106 1HG2 VAL 106 5.370 -0.667 15.359 825 HG23 VAL 106 2HG2 VAL 106 4.876 -2.190 16.097 826 H ARG 107 H ARG 107 4.294 -4.192 12.193 827 HA ARG 107 HA ARG 107 1.543 -3.377 13.264 828 HB2 ARG 107 1HB ARG 107 0.415 -4.284 11.565 829 HB3 ARG 107 2HB ARG 107 1.676 -3.254 10.902 830 HG2 ARG 107 1HG ARG 107 2.945 -5.213 10.090 831 HG3 ARG 107 2HG ARG 107 1.858 -6.315 10.915 832 HD2 ARG 107 1HD ARG 107 1.252 -6.380 8.633 833 HD3 ARG 107 2HD ARG 107 -0.054 -5.549 9.447 834 HE ARG 107 HE ARG 107 1.058 -3.298 8.707 835 HH11 ARG 107 1HH1 ARG 107 1.782 -6.159 6.818 836 HH12 ARG 107 2HH1 ARG 107 2.318 -5.122 5.402 837 HH21 ARG 107 1HH2 ARG 107 1.630 -2.214 7.077 838 HH22 ARG 107 2HH2 ARG 107 2.188 -3.041 5.553 839 H GLU 108 H GLU 108 1.010 -4.362 14.988 840 HA GLU 108 HA GLU 108 1.801 -7.286 15.496 841 HB2 GLU 108 1HB GLU 108 0.870 -4.934 17.292 842 HB3 GLU 108 2HB GLU 108 0.713 -6.572 17.852 843 HG2 GLU 108 1HG GLU 108 2.716 -5.954 18.771 844 HG3 GLU 108 2HG GLU 108 3.189 -6.997 17.449 845 H VAL 109 H VAL 109 -0.206 -8.261 16.963 846 HA VAL 109 HA VAL 109 -2.884 -7.613 15.702 847 HB VAL 109 HB VAL 109 -3.608 -9.961 15.526 848 HG11 VAL 109 1HG1 VAL 109 -2.859 -8.753 13.518 849 HG12 VAL 109 2HG1 VAL 109 -1.213 -9.391 13.683 850 HG13 VAL 109 3HG1 VAL 109 -2.567 -10.496 13.343 851 HG21 VAL 109 3HG2 VAL 109 -0.656 -10.845 15.746 852 HG22 VAL 109 1HG2 VAL 109 -1.894 -11.194 16.969 853 HG23 VAL 109 2HG2 VAL 109 -2.039 -11.885 15.344 854 H ASP 110 H ASP 110 -4.418 -7.334 17.204 855 HA ASP 110 HA ASP 110 -4.288 -9.075 19.732 856 HB2 ASP 110 1HB ASP 110 -5.784 -6.463 19.164 857 HB3 ASP 110 2HB ASP 110 -6.028 -7.426 20.602 858 H GLY 111 H GLY 111 -4.846 -10.688 17.928 859 HA2 GLY 111 1HA GLY 111 -6.485 -12.502 17.756 860 HA3 GLY 111 2HA GLY 111 -7.718 -11.482 18.458 861 H ASP 112 H ASP 112 -8.902 -10.129 17.078 862 HA ASP 112 HA ASP 112 -8.521 -10.455 14.077 863 HB2 ASP 112 1HB ASP 112 -10.758 -10.108 13.652 864 HB3 ASP 112 2HB ASP 112 -10.817 -11.116 15.077 865 H THR 113 H THR 113 -7.530 -8.353 16.209 866 HA THR 113 HA THR 113 -8.093 -5.906 14.530 867 HB THR 113 HB THR 113 -9.423 -5.910 16.582 868 HG1 THR 113 HG1 THR 113 -7.828 -3.624 16.492 869 HG21 THR 113 3HG2 THR 113 -6.922 -4.929 18.041 870 HG22 THR 113 1HG2 THR 113 -8.609 -4.816 18.582 871 HG23 THR 113 2HG2 THR 113 -7.829 -6.396 18.429 872 H MET 114 H MET 114 -6.460 -6.449 13.461 873 HA MET 114 HA MET 114 -3.624 -6.609 14.018 874 HB2 MET 114 1HB MET 114 -5.069 -5.297 11.673 875 HB3 MET 114 2HB MET 114 -3.317 -5.478 11.744 876 HG2 MET 114 1HG MET 114 -4.208 -7.118 10.289 877 HG3 MET 114 2HG MET 114 -3.556 -7.984 11.661 878 HE1 MET 114 3HE MET 114 -5.227 -8.976 13.669 879 HE2 MET 114 1HE MET 114 -6.519 -9.948 12.934 880 HE3 MET 114 2HE MET 114 -4.856 -10.055 12.286 881 H LYS 115 H LYS 115 -2.621 -5.280 15.320 882 HA LYS 115 HA LYS 115 -3.325 -2.301 15.396 883 HB2 LYS 115 1HB LYS 115 -3.618 -3.811 17.377 884 HB3 LYS 115 2HB LYS 115 -1.876 -3.979 17.513 885 HG2 LYS 115 1HG LYS 115 -1.602 -1.527 17.836 886 HG3 LYS 115 2HG LYS 115 -3.305 -1.216 17.549 887 HD2 LYS 115 1HD LYS 115 -2.389 -3.100 19.835 888 HD3 LYS 115 2HD LYS 115 -2.279 -1.367 19.999 889 HE2 LYS 115 1HE LYS 115 -4.281 -1.919 21.066 890 HE3 LYS 115 2HE LYS 115 -4.792 -1.127 19.573 891 HZ1 LYS 115 3HZ LYS 115 -5.384 -3.307 18.636 892 HZ2 LYS 115 1HZ LYS 115 -4.486 -4.158 19.759 893 HZ3 LYS 115 2HZ LYS 115 -5.913 -3.429 20.202 894 H THR 116 H THR 116 -2.018 -1.066 14.136 895 HA THR 116 HA THR 116 0.949 -1.551 14.238 896 HB THR 116 HB THR 116 0.205 -2.018 11.964 897 HG1 THR 116 HG1 THR 116 2.350 -1.237 12.829 898 HG21 THR 116 3HG2 THR 116 -1.222 -0.014 11.267 899 HG22 THR 116 1HG2 THR 116 0.165 1.038 11.552 900 HG23 THR 116 2HG2 THR 116 0.235 -0.214 10.299 901 H THR 117 H THR 117 1.870 -0.174 15.263 902 HA THR 117 HA THR 117 1.082 2.717 15.634 903 HB THR 117 HB THR 117 3.699 1.164 16.213 904 HG1 THR 117 HG1 THR 117 1.959 0.839 17.618 905 HG21 THR 117 3HG2 THR 117 4.336 3.264 17.573 906 HG22 THR 117 1HG2 THR 117 4.497 3.426 15.812 907 HG23 THR 117 2HG2 THR 117 3.105 4.149 16.629 908 H VAL 118 H VAL 118 0.875 3.737 13.672 909 HA VAL 118 HA VAL 118 3.220 3.582 11.756 910 HB VAL 118 HB VAL 118 0.996 3.292 10.912 911 HG11 VAL 118 1HG1 VAL 118 -0.303 5.079 12.139 912 HG12 VAL 118 2HG1 VAL 118 0.458 6.301 11.098 913 HG13 VAL 118 3HG1 VAL 118 -0.549 5.034 10.390 914 HG21 VAL 118 3HG2 VAL 118 1.446 5.133 8.933 915 HG22 VAL 118 1HG2 VAL 118 2.993 5.285 9.810 916 HG23 VAL 118 2HG2 VAL 118 2.450 3.708 9.188 917 H THR 119 H THR 119 4.930 4.593 12.594 918 HA THR 119 HA THR 119 4.591 7.427 13.728 919 HB THR 119 HB THR 119 5.313 5.841 15.365 920 HG1 THR 119 HG1 THR 119 7.376 6.821 15.840 921 HG21 THR 119 3HG2 THR 119 6.508 4.084 14.003 922 HG22 THR 119 1HG2 THR 119 7.812 5.224 13.662 923 HG23 THR 119 2HG2 THR 119 7.504 4.678 15.337 924 H VAL 120 H VAL 120 6.186 8.990 13.302 925 HA VAL 120 HA VAL 120 8.118 8.530 10.968 926 HB VAL 120 HB VAL 120 6.291 10.985 10.897 927 HG11 VAL 120 1HG1 VAL 120 8.448 11.121 9.605 928 HG12 VAL 120 2HG1 VAL 120 8.076 9.613 8.767 929 HG13 VAL 120 3HG1 VAL 120 7.071 11.038 8.486 930 HG21 VAL 120 3HG2 VAL 120 5.809 8.265 9.601 931 HG22 VAL 120 1HG2 VAL 120 4.771 9.164 10.725 932 HG23 VAL 120 2HG2 VAL 120 4.970 9.785 9.066 933 H GLY 121 H GLY 121 9.710 8.631 12.555 934 HA2 GLY 121 1HA GLY 121 11.274 9.640 14.070 935 HA3 GLY 121 2HA GLY 121 10.738 11.212 13.512 936 H ASP 122 H ASP 122 8.293 11.335 14.285 937 HA ASP 122 HA ASP 122 8.129 11.234 17.304 938 HB2 ASP 122 1HB ASP 122 8.258 13.713 17.572 939 HB3 ASP 122 2HB ASP 122 9.744 13.023 16.960 940 H VAL 123 H VAL 123 6.249 10.010 15.918 941 HA VAL 123 HA VAL 123 3.841 11.740 16.566 942 HB VAL 123 HB VAL 123 3.977 10.165 13.906 943 HG11 VAL 123 1HG1 VAL 123 1.736 11.836 15.303 944 HG12 VAL 123 2HG1 VAL 123 1.693 11.450 13.590 945 HG13 VAL 123 3HG1 VAL 123 1.631 10.141 14.782 946 HG21 VAL 123 3HG2 VAL 123 3.951 13.217 14.434 947 HG22 VAL 123 1HG2 VAL 123 5.236 12.265 13.654 948 HG23 VAL 123 2HG2 VAL 123 3.661 12.451 12.853 949 H THR 124 H THR 124 4.576 8.382 15.572 950 HA THR 124 HA THR 124 3.453 6.414 16.080 951 HB THR 124 HB THR 124 3.957 7.712 18.735 952 HG1 THR 124 HG1 THR 124 5.295 5.820 18.781 953 HG21 THR 124 3HG2 THR 124 3.553 5.578 19.960 954 HG22 THR 124 1HG2 THR 124 2.039 6.313 19.432 955 HG23 THR 124 2HG2 THR 124 2.671 4.908 18.579 956 H ALA 125 H ALA 125 1.719 6.541 14.760 957 HA ALA 125 HA ALA 125 -0.912 7.502 15.989 958 HB1 ALA 125 3HB ALA 125 0.060 7.100 13.100 959 HB2 ALA 125 1HB ALA 125 -1.633 7.405 13.476 960 HB3 ALA 125 2HB ALA 125 -0.376 8.593 13.907 961 H ILE 126 H ILE 126 -1.527 5.807 17.207 962 HA ILE 126 HA ILE 126 -1.039 3.077 16.505 963 HB ILE 126 HB ILE 126 -1.029 3.998 18.735 964 HG12 ILE 126 1HG1 ILE 126 -2.197 1.983 19.891 965 HG13 ILE 126 2HG1 ILE 126 -2.717 1.455 18.296 966 HG21 ILE 126 1HG2 ILE 126 -3.087 5.339 18.893 967 HG22 ILE 126 2HG2 ILE 126 -4.109 3.879 18.809 968 HG23 ILE 126 3HG2 ILE 126 -3.014 4.142 20.181 969 HD11 ILE 126 3HD1 ILE 126 0.225 2.023 19.125 970 HD12 ILE 126 1HD1 ILE 126 -0.518 0.410 19.096 971 HD13 ILE 126 2HD1 ILE 126 -0.280 1.303 17.578 972 H ARG 127 H ARG 127 -1.812 2.452 14.660 973 HA ARG 127 HA ARG 127 -4.705 2.846 13.921 974 HB2 ARG 127 1HB ARG 127 -2.603 1.332 12.303 975 HB3 ARG 127 2HB ARG 127 -4.276 1.590 11.845 976 HG2 ARG 127 1HG ARG 127 -3.644 4.204 12.171 977 HG3 ARG 127 2HG ARG 127 -2.007 3.609 11.990 978 HD2 ARG 127 1HD ARG 127 -4.359 3.275 9.988 979 HD3 ARG 127 2HD ARG 127 -3.048 4.393 9.845 980 HE ARG 127 HE ARG 127 -1.397 2.534 9.482 981 HH11 ARG 127 1HH1 ARG 127 -4.734 1.585 9.210 982 HH12 ARG 127 2HH1 ARG 127 -4.308 0.135 8.184 983 HH21 ARG 127 1HH2 ARG 127 -0.966 0.913 8.291 984 HH22 ARG 127 2HH2 ARG 127 -2.280 -0.206 7.707 985 H ASN 128 H ASN 128 -6.216 1.479 14.468 986 HA ASN 128 HA ASN 128 -5.593 -1.471 15.061 987 HB2 ASN 128 1HB ASN 128 -6.320 0.441 16.861 988 HB3 ASN 128 2HB ASN 128 -7.902 0.241 16.140 989 HD21 ASN 128 1HD2 ASN 128 -7.884 -0.093 18.663 990 HD22 ASN 128 2HD2 ASN 128 -8.053 -1.888 19.041 991 H TYR 129 H TYR 129 -6.600 -2.888 13.595 992 HA TYR 129 HA TYR 129 -9.095 -2.016 12.121 993 HB2 TYR 129 1HB TYR 129 -7.936 -2.414 9.884 994 HB3 TYR 129 2HB TYR 129 -7.563 -0.957 10.737 995 HD1 TYR 129 HD1 TYR 129 -5.371 -0.537 11.803 996 HD2 TYR 129 HD2 TYR 129 -6.056 -4.126 9.551 997 HE1 TYR 129 HE1 TYR 129 -2.982 -0.939 11.709 998 HE2 TYR 129 HE2 TYR 129 -3.634 -4.433 9.320 999 HH TYR 129 HH TYR 129 -1.660 -3.763 9.985 1000 H LYS 130 H LYS 130 -10.077 -3.577 10.784 1001 HA LYS 130 HA LYS 130 -10.064 -6.180 12.353 1002 HB2 LYS 130 1HB LYS 130 -12.121 -4.614 10.729 1003 HB3 LYS 130 2HB LYS 130 -12.241 -6.337 10.606 1004 HG2 LYS 130 1HG LYS 130 -13.727 -5.653 12.251 1005 HG3 LYS 130 2HG LYS 130 -12.538 -6.698 12.965 1006 HD2 LYS 130 1HD LYS 130 -12.073 -3.672 13.164 1007 HD3 LYS 130 2HD LYS 130 -13.452 -4.296 14.022 1008 HE2 LYS 130 1HE LYS 130 -10.556 -5.322 14.434 1009 HE3 LYS 130 2HE LYS 130 -11.323 -4.071 15.399 1010 HZ1 LYS 130 3HZ LYS 130 -13.125 -5.830 15.983 1011 HZ2 LYS 130 1HZ LYS 130 -12.230 -6.995 15.220 1012 HZ3 LYS 130 2HZ LYS 130 -11.628 -6.279 16.524 1013 H ARG 131 H ARG 131 -9.409 -8.060 11.584 1014 HA ARG 131 HA ARG 131 -8.566 -8.547 8.787 1015 HB2 ARG 131 1HB ARG 131 -7.785 -9.832 10.911 1016 HB3 ARG 131 2HB ARG 131 -9.327 -10.664 10.895 1017 HG2 ARG 131 1HG ARG 131 -8.622 -11.291 8.345 1018 HG3 ARG 131 2HG ARG 131 -7.021 -10.800 8.839 1019 HD2 ARG 131 1HD ARG 131 -8.735 -13.051 10.128 1020 HD3 ARG 131 2HD ARG 131 -7.492 -13.253 8.927 1021 HE ARG 131 HE ARG 131 -5.697 -12.731 10.524 1022 HH11 ARG 131 1HH1 ARG 131 -8.823 -12.705 12.100 1023 HH12 ARG 131 2HH1 ARG 131 -8.000 -12.739 13.745 1024 HH21 ARG 131 1HH2 ARG 131 -4.896 -12.801 12.337 1025 HH22 ARG 131 2HH2 ARG 131 -5.929 -12.721 13.866 1026 H LEU 132 H LEU 132 -10.080 -8.231 7.272 1027 HA LEU 132 HA LEU 132 -12.785 -9.603 7.494 1028 HB2 LEU 132 1HB LEU 132 -11.825 -7.227 5.819 1029 HB3 LEU 132 2HB LEU 132 -13.464 -7.891 5.775 1030 HG LEU 132 HG LEU 132 -12.014 -6.439 8.055 1031 HD11 LEU 132 1HD1 LEU 132 -12.959 -5.040 6.206 1032 HD12 LEU 132 2HD1 LEU 132 -14.567 -5.776 6.429 1033 HD13 LEU 132 3HD1 LEU 132 -13.861 -4.766 7.712 1034 HD21 LEU 132 3HD2 LEU 132 -13.340 -8.132 9.222 1035 HD22 LEU 132 1HD2 LEU 132 -14.232 -6.606 9.351 1036 HD23 LEU 132 2HD2 LEU 132 -14.778 -7.843 8.199 1037 H SER 133 H SER 133 -13.498 -10.975 6.094 1038 HA SER 133 HA SER 133 -11.595 -12.168 4.049 1039 HB2 SER 133 1HB SER 133 -13.026 -14.159 4.150 1040 HB3 SER 133 2HB SER 133 -12.544 -13.652 5.770 1041 HG SER 133 HG SER 133 -14.780 -14.173 5.621 1042 HXT SER 133 HXT SER 133 -14.519 -11.678 3.150 Start of MODEL 11 1 H1 MET 1 1H MET 1 1.407 -13.265 6.666 2 H2 MET 1 2H MET 1 2.159 -14.592 7.245 3 HA MET 1 HA MET 1 1.567 -14.037 4.390 4 HB2 MET 1 1HB MET 1 2.955 -16.445 5.720 5 HB3 MET 1 2HB MET 1 2.246 -16.533 4.115 6 HG2 MET 1 1HG MET 1 4.484 -14.551 4.873 7 HG3 MET 1 2HG MET 1 4.716 -16.106 4.065 8 HE1 MET 1 3HE MET 1 3.405 -15.568 0.473 9 HE2 MET 1 1HE MET 1 4.660 -16.367 1.450 10 HE3 MET 1 2HE MET 1 2.931 -16.659 1.800 11 H SER 2 H SER 2 0.778 -16.280 7.117 12 HA SER 2 HA SER 2 -1.874 -16.871 5.708 13 HB2 SER 2 1HB SER 2 -0.320 -18.657 7.686 14 HB3 SER 2 2HB SER 2 -1.914 -19.022 7.008 15 HG SER 2 HG SER 2 0.374 -18.464 5.429 16 H SER 3 H SER 3 -0.466 -16.189 8.979 17 HA SER 3 HA SER 3 -3.140 -16.158 10.274 18 HB2 SER 3 1HB SER 3 -1.039 -16.605 11.536 19 HB3 SER 3 2HB SER 3 -0.511 -14.933 11.285 20 HG SER 3 HG SER 3 -2.739 -14.454 12.232 21 H PHE 4 H PHE 4 -1.827 -13.788 8.246 22 HA PHE 4 HA PHE 4 -4.070 -11.931 9.097 23 HB2 PHE 4 1HB PHE 4 -2.774 -9.894 8.649 24 HB3 PHE 4 2HB PHE 4 -2.274 -10.809 10.038 25 HD1 PHE 4 HD1 PHE 4 -0.086 -11.929 10.117 26 HD2 PHE 4 HD2 PHE 4 -1.192 -9.654 6.630 27 HE1 PHE 4 HE1 PHE 4 2.272 -11.852 9.406 28 HE2 PHE 4 HE2 PHE 4 1.167 -9.601 5.927 29 HZ PHE 4 HZ PHE 4 2.906 -10.736 7.347 30 H LEU 5 H LEU 5 -4.423 -13.816 7.189 31 HA LEU 5 HA LEU 5 -4.438 -12.572 4.530 32 HB2 LEU 5 1HB LEU 5 -5.970 -14.953 5.704 33 HB3 LEU 5 2HB LEU 5 -6.149 -14.452 4.037 34 HG LEU 5 HG LEU 5 -3.399 -15.145 5.232 35 HD11 LEU 5 1HD1 LEU 5 -5.357 -16.984 3.685 36 HD12 LEU 5 2HD1 LEU 5 -3.688 -17.392 4.143 37 HD13 LEU 5 3HD1 LEU 5 -4.904 -17.136 5.402 38 HD21 LEU 5 3HD2 LEU 5 -2.726 -15.472 2.861 39 HD22 LEU 5 1HD2 LEU 5 -4.336 -14.967 2.285 40 HD23 LEU 5 2HD2 LEU 5 -3.256 -13.813 3.110 41 H GLY 6 H GLY 6 -5.869 -11.205 3.649 42 HA2 GLY 6 1HA GLY 6 -8.315 -10.960 3.075 43 HA3 GLY 6 2HA GLY 6 -8.708 -10.916 4.784 44 H LYS 7 H LYS 7 -9.835 -9.135 3.619 45 HA LYS 7 HA LYS 7 -8.312 -6.557 3.370 46 HB2 LYS 7 1HB LYS 7 -10.209 -5.445 2.557 47 HB3 LYS 7 2HB LYS 7 -10.040 -6.910 1.654 48 HG2 LYS 7 1HG LYS 7 -12.172 -6.227 3.738 49 HG3 LYS 7 2HG LYS 7 -12.357 -6.306 2.003 50 HD2 LYS 7 1HD LYS 7 -11.819 -8.640 3.910 51 HD3 LYS 7 2HD LYS 7 -13.382 -8.215 3.239 52 HE2 LYS 7 1HE LYS 7 -12.657 -8.813 0.920 53 HE3 LYS 7 2HE LYS 7 -11.002 -9.097 1.457 54 HZ1 LYS 7 3HZ LYS 7 -12.074 -11.282 1.563 55 HZ2 LYS 7 1HZ LYS 7 -12.072 -10.772 3.147 56 HZ3 LYS 7 2HZ LYS 7 -13.435 -10.709 2.294 57 H TRP 8 H TRP 8 -8.611 -4.755 4.777 58 HA TRP 8 HA TRP 8 -10.029 -5.346 7.374 59 HB2 TRP 8 1HB TRP 8 -8.213 -4.492 8.696 60 HB3 TRP 8 2HB TRP 8 -7.769 -5.936 7.829 61 HD1 TRP 8 HD1 TRP 8 -5.486 -5.910 6.534 62 HE1 TRP 8 HE1 TRP 8 -3.473 -4.250 6.335 63 HE3 TRP 8 HE3 TRP 8 -7.988 -1.677 8.070 64 HZ2 TRP 8 HZ2 TRP 8 -3.106 -1.503 7.015 65 HZ3 TRP 8 HZ3 TRP 8 -6.724 0.427 8.298 66 HH2 TRP 8 HH2 TRP 8 -4.319 0.517 7.807 67 H LYS 9 H LYS 9 -10.728 -3.579 8.531 68 HA LYS 9 HA LYS 9 -10.455 -0.898 7.131 69 HB2 LYS 9 1HB LYS 9 -12.693 -0.249 7.630 70 HB3 LYS 9 2HB LYS 9 -12.671 -1.702 6.655 71 HG2 LYS 9 1HG LYS 9 -13.130 -3.070 8.831 72 HG3 LYS 9 2HG LYS 9 -13.263 -1.529 9.684 73 HD2 LYS 9 1HD LYS 9 -15.059 -0.832 7.944 74 HD3 LYS 9 2HD LYS 9 -15.028 -2.459 7.299 75 HE2 LYS 9 1HE LYS 9 -15.535 -1.834 10.304 76 HE3 LYS 9 2HE LYS 9 -16.833 -1.763 9.109 77 HZ1 LYS 9 3HZ LYS 9 -16.423 -4.153 8.567 78 HZ2 LYS 9 1HZ LYS 9 -15.192 -4.236 9.647 79 HZ3 LYS 9 2HZ LYS 9 -16.736 -4.011 10.175 80 H LEU 10 H LEU 10 -9.946 0.702 8.362 81 HA LEU 10 HA LEU 10 -8.602 0.515 10.861 82 HB2 LEU 10 1HB LEU 10 -8.733 2.396 8.901 83 HB3 LEU 10 2HB LEU 10 -9.991 3.080 9.883 84 HG LEU 10 HG LEU 10 -8.114 2.861 11.866 85 HD11 LEU 10 1HD1 LEU 10 -6.459 2.889 9.228 86 HD12 LEU 10 2HD1 LEU 10 -5.797 3.271 10.810 87 HD13 LEU 10 3HD1 LEU 10 -6.408 1.634 10.487 88 HD21 LEU 10 3HD2 LEU 10 -7.364 5.190 11.277 89 HD22 LEU 10 1HD2 LEU 10 -8.027 5.017 9.634 90 HD23 LEU 10 2HD2 LEU 10 -9.104 5.013 11.051 91 H SER 11 H SER 11 -9.303 0.393 12.947 92 HA SER 11 HA SER 11 -12.231 0.694 13.585 93 HB2 SER 11 1HB SER 11 -11.018 -1.393 14.235 94 HB3 SER 11 2HB SER 11 -10.020 -0.445 15.341 95 HG SER 11 HG SER 11 -12.183 0.318 16.184 96 H GLU 12 H GLU 12 -9.216 2.263 14.439 97 HA GLU 12 HA GLU 12 -10.805 4.475 15.797 98 HB2 GLU 12 1HB GLU 12 -9.408 4.539 17.759 99 HB3 GLU 12 2HB GLU 12 -9.994 2.914 17.545 100 HG2 GLU 12 1HG GLU 12 -7.834 2.366 18.020 101 HG3 GLU 12 2HG GLU 12 -7.623 2.527 16.282 102 H SER 13 H SER 13 -9.584 6.507 16.106 103 HA SER 13 HA SER 13 -6.876 6.478 14.819 104 HB2 SER 13 1HB SER 13 -8.320 7.837 13.250 105 HB3 SER 13 2HB SER 13 -8.686 8.972 14.570 106 HG SER 13 HG SER 13 -6.829 9.913 13.736 107 H HIS 14 H HIS 14 -5.766 6.386 16.651 108 HA HIS 14 HA HIS 14 -5.850 8.423 18.787 109 HB2 HIS 14 1HB HIS 14 -4.850 6.186 19.041 110 HB3 HIS 14 2HB HIS 14 -3.608 6.515 17.856 111 HD1 HIS 14 HD1 HIS 14 -4.534 7.108 21.502 112 HD2 HIS 14 HD2 HIS 14 -1.476 8.231 18.692 113 HE1 HIS 14 HE1 HIS 14 -2.486 8.094 22.757 114 HE2 HIS 14 HE2 HIS 14 -0.591 8.786 21.131 115 H ASN 15 H ASN 15 -3.686 8.163 15.968 116 HA ASN 15 HA ASN 15 -4.029 10.983 15.445 117 HB2 ASN 15 1HB ASN 15 -2.112 10.949 17.239 118 HB3 ASN 15 2HB ASN 15 -1.083 10.234 16.027 119 HD21 ASN 15 1HD2 ASN 15 -3.349 12.936 15.102 120 HD22 ASN 15 2HD2 ASN 15 -1.991 14.141 15.304 121 H PHE 16 H PHE 16 -4.755 8.843 13.978 122 HA PHE 16 HA PHE 16 -2.864 8.553 11.646 123 HB2 PHE 16 1HB PHE 16 -4.292 6.686 12.571 124 HB3 PHE 16 2HB PHE 16 -5.718 7.463 11.928 125 HD1 PHE 16 HD1 PHE 16 -2.334 6.128 10.993 126 HD2 PHE 16 HD2 PHE 16 -6.280 7.047 9.563 127 HE1 PHE 16 HE1 PHE 16 -1.841 4.960 8.845 128 HE2 PHE 16 HE2 PHE 16 -5.799 5.870 7.453 129 HZ PHE 16 HZ PHE 16 -3.588 4.820 7.088 130 H ASP 17 H ASP 17 -3.010 10.870 11.689 131 HA ASP 17 HA ASP 17 -4.725 12.254 9.688 132 HB2 ASP 17 1HB ASP 17 -5.593 13.830 11.573 133 HB3 ASP 17 2HB ASP 17 -6.411 12.346 11.169 134 H ALA 18 H ALA 18 -2.586 12.908 12.485 135 HA ALA 18 HA ALA 18 -1.121 15.002 10.848 136 HB1 ALA 18 3HB ALA 18 -1.497 15.321 13.409 137 HB2 ALA 18 1HB ALA 18 -0.272 14.025 13.628 138 HB3 ALA 18 2HB ALA 18 0.163 15.538 12.823 139 H VAL 19 H VAL 19 -0.685 11.642 11.752 140 HA VAL 19 HA VAL 19 2.113 11.279 11.092 141 HB VAL 19 HB VAL 19 0.515 9.634 12.162 142 HG11 VAL 19 1HG1 VAL 19 -0.760 8.033 10.906 143 HG12 VAL 19 2HG1 VAL 19 -1.313 9.676 10.476 144 HG13 VAL 19 3HG1 VAL 19 -0.305 8.742 9.341 145 HG21 VAL 19 3HG2 VAL 19 2.760 8.890 11.672 146 HG22 VAL 19 1HG2 VAL 19 1.679 7.583 11.198 147 HG23 VAL 19 2HG2 VAL 19 2.396 8.611 9.946 148 H MET 20 H MET 20 -0.581 11.565 9.003 149 HA MET 20 HA MET 20 0.990 11.126 6.476 150 HB2 MET 20 1HB MET 20 -1.997 11.634 7.131 151 HB3 MET 20 2HB MET 20 -1.444 11.893 5.509 152 HG2 MET 20 1HG MET 20 -0.635 9.519 5.319 153 HG3 MET 20 2HG MET 20 -1.075 9.218 7.011 154 HE1 MET 20 3HE MET 20 -2.204 7.486 4.465 155 HE2 MET 20 1HE MET 20 -2.381 7.187 6.219 156 HE3 MET 20 2HE MET 20 -3.823 7.211 5.174 157 H SER 21 H SER 21 -0.831 13.840 7.990 158 HA SER 21 HA SER 21 0.103 15.779 6.049 159 HB2 SER 21 1HB SER 21 -1.876 16.018 7.755 160 HB3 SER 21 2HB SER 21 -0.693 16.273 9.027 161 HG SER 21 HG SER 21 0.085 18.096 7.803 162 H LYS 22 H LYS 22 1.686 14.847 9.102 163 HA LYS 22 HA LYS 22 3.849 16.868 8.714 164 HB2 LYS 22 1HB LYS 22 4.123 16.705 10.847 165 HB3 LYS 22 2HB LYS 22 2.815 15.602 10.935 166 HG2 LYS 22 1HG LYS 22 4.256 14.390 12.084 167 HG3 LYS 22 2HG LYS 22 4.635 13.680 10.524 168 HD2 LYS 22 1HD LYS 22 6.648 15.070 10.273 169 HD3 LYS 22 2HD LYS 22 6.231 16.126 11.601 170 HE2 LYS 22 1HE LYS 22 6.779 13.106 12.024 171 HE3 LYS 22 2HE LYS 22 8.075 14.277 11.931 172 HZ1 LYS 22 3HZ LYS 22 6.642 15.511 13.848 173 HZ2 LYS 22 1HZ LYS 22 6.181 13.966 14.204 174 HZ3 LYS 22 2HZ LYS 22 7.758 14.365 14.206 175 H LEU 23 H LEU 23 3.459 13.562 7.726 176 HA LEU 23 HA LEU 23 6.153 13.277 6.444 177 HB2 LEU 23 1HB LEU 23 4.474 11.373 6.955 178 HB3 LEU 23 2HB LEU 23 3.463 12.026 5.689 179 HG LEU 23 HG LEU 23 5.701 11.817 4.172 180 HD11 LEU 23 1HD1 LEU 23 6.249 9.503 6.145 181 HD12 LEU 23 2HD1 LEU 23 7.292 10.169 4.860 182 HD13 LEU 23 3HD1 LEU 23 7.035 11.059 6.361 183 HD21 LEU 23 3HD2 LEU 23 4.935 9.496 3.571 184 HD22 LEU 23 1HD2 LEU 23 4.011 9.367 5.074 185 HD23 LEU 23 2HD2 LEU 23 3.537 10.554 3.833 186 H GLY 24 H GLY 24 2.972 14.586 5.446 187 HA2 GLY 24 1HA GLY 24 3.073 16.784 4.167 188 HA3 GLY 24 2HA GLY 24 4.412 16.170 3.227 189 H VAL 25 H VAL 25 1.104 15.162 4.008 190 HA VAL 25 HA VAL 25 0.713 14.034 1.299 191 HB VAL 25 HB VAL 25 -0.982 14.061 3.863 192 HG11 VAL 25 1HG1 VAL 25 -2.568 13.818 1.899 193 HG12 VAL 25 2HG1 VAL 25 -1.590 12.471 1.283 194 HG13 VAL 25 3HG1 VAL 25 -2.428 12.333 2.856 195 HG21 VAL 25 3HG2 VAL 25 -0.288 11.537 3.742 196 HG22 VAL 25 1HG2 VAL 25 0.685 11.913 2.319 197 HG23 VAL 25 2HG2 VAL 25 1.102 12.637 3.882 198 H SER 26 H SER 26 -0.418 14.737 -0.349 199 HA SER 26 HA SER 26 -0.878 17.544 -0.607 200 HB2 SER 26 1HB SER 26 -1.880 15.292 -2.472 201 HB3 SER 26 2HB SER 26 -1.669 16.990 -2.918 202 HG SER 26 HG SER 26 0.310 15.047 -2.187 203 H TRP 27 H TRP 27 -2.774 18.852 -0.935 204 HA TRP 27 HA TRP 27 -5.152 17.974 0.595 205 HB2 TRP 27 1HB TRP 27 -4.429 20.579 -0.859 206 HB3 TRP 27 2HB TRP 27 -6.031 20.363 -0.200 207 HD1 TRP 27 HD1 TRP 27 -2.864 21.843 0.935 208 HE1 TRP 27 HE1 TRP 27 -2.969 22.446 3.482 209 HE3 TRP 27 HE3 TRP 27 -6.881 18.865 2.134 210 HZ2 TRP 27 HZ2 TRP 27 -4.564 21.558 5.668 211 HZ3 TRP 27 HZ3 TRP 27 -7.670 18.832 4.483 212 HH2 TRP 27 HH2 TRP 27 -6.543 20.156 6.214 213 H ALA 28 H ALA 28 -4.974 16.336 -1.345 214 HA ALA 28 HA ALA 28 -7.883 16.289 -2.019 215 HB1 ALA 28 3HB ALA 28 -5.859 15.195 -4.092 216 HB2 ALA 28 1HB ALA 28 -7.634 15.115 -4.182 217 HB3 ALA 28 2HB ALA 28 -6.822 16.681 -4.269 218 H THR 29 H THR 29 -4.885 14.325 -1.793 219 HA THR 29 HA THR 29 -6.253 11.924 -0.667 220 HB THR 29 HB THR 29 -3.855 11.254 0.011 221 HG1 THR 29 HG1 THR 29 -2.242 12.442 -1.205 222 HG21 THR 29 3HG2 THR 29 -4.125 11.814 -2.985 223 HG22 THR 29 1HG2 THR 29 -3.157 10.570 -2.142 224 HG23 THR 29 2HG2 THR 29 -4.932 10.463 -2.137 225 H ARG 30 H ARG 30 -5.276 14.870 0.830 226 HA ARG 30 HA ARG 30 -4.949 13.644 3.543 227 HB2 ARG 30 1HB ARG 30 -3.890 15.976 2.484 228 HB3 ARG 30 2HB ARG 30 -5.342 16.648 3.191 229 HG2 ARG 30 1HG ARG 30 -4.587 15.342 5.400 230 HG3 ARG 30 2HG ARG 30 -3.070 15.058 4.572 231 HD2 ARG 30 1HD ARG 30 -4.293 17.868 5.067 232 HD3 ARG 30 2HD ARG 30 -3.152 17.065 6.158 233 HE ARG 30 HE ARG 30 -1.999 17.127 3.429 234 HH11 ARG 30 1HH1 ARG 30 -2.544 19.246 6.128 235 HH12 ARG 30 2HH1 ARG 30 -1.290 20.431 5.514 236 HH21 ARG 30 1HH2 ARG 30 -0.619 18.373 2.829 237 HH22 ARG 30 2HH2 ARG 30 -0.227 19.943 3.697 238 H GLN 31 H GLN 31 -7.478 13.974 1.700 239 HA GLN 31 HA GLN 31 -9.356 13.779 4.032 240 HB2 GLN 31 1HB GLN 31 -11.150 14.962 3.060 241 HB3 GLN 31 2HB GLN 31 -9.753 16.010 3.128 242 HG2 GLN 31 1HG GLN 31 -10.058 14.648 0.437 243 HG3 GLN 31 2HG GLN 31 -11.493 15.497 0.921 244 HE21 GLN 31 1HE2 GLN 31 -8.012 16.203 1.146 245 HE22 GLN 31 2HE2 GLN 31 -8.181 17.770 0.170 246 H ILE 32 H ILE 32 -7.922 11.998 1.785 247 HA ILE 32 HA ILE 32 -10.191 9.973 2.037 248 HB ILE 32 HB ILE 32 -8.146 10.401 -0.202 249 HG12 ILE 32 1HG1 ILE 32 -10.299 9.678 -1.605 250 HG13 ILE 32 2HG1 ILE 32 -11.211 9.949 -0.143 251 HG21 ILE 32 1HG2 ILE 32 -7.851 7.967 0.319 252 HG22 ILE 32 2HG2 ILE 32 -9.606 7.707 0.216 253 HG23 ILE 32 3HG2 ILE 32 -8.673 8.186 -1.220 254 HD11 ILE 32 3HD1 ILE 32 -11.171 11.829 -1.839 255 HD12 ILE 32 1HD1 ILE 32 -10.623 12.396 -0.257 256 HD13 ILE 32 2HD1 ILE 32 -9.436 12.078 -1.542 257 H GLY 33 H GLY 33 -6.618 10.407 2.235 258 HA2 GLY 33 1HA GLY 33 -5.989 7.719 3.267 259 HA3 GLY 33 2HA GLY 33 -5.020 9.153 3.548 260 H ASN 34 H ASN 34 -6.526 10.755 5.133 261 HA ASN 34 HA ASN 34 -7.179 9.145 7.617 262 HB2 ASN 34 1HB ASN 34 -6.907 11.270 8.800 263 HB3 ASN 34 2HB ASN 34 -5.502 10.794 7.883 264 HD21 ASN 34 1HD2 ASN 34 -8.197 13.066 7.801 265 HD22 ASN 34 2HD2 ASN 34 -7.302 14.226 6.689 266 H THR 35 H THR 35 -9.043 8.731 5.675 267 HA THR 35 HA THR 35 -11.573 9.743 6.916 268 HB THR 35 HB THR 35 -10.860 10.500 4.033 269 HG1 THR 35 HG1 THR 35 -10.208 11.707 6.205 270 HG21 THR 35 3HG2 THR 35 -13.380 11.235 5.673 271 HG22 THR 35 1HG2 THR 35 -12.966 11.837 4.053 272 HG23 THR 35 2HG2 THR 35 -13.353 10.123 4.280 273 H VAL 36 H VAL 36 -10.444 8.185 3.849 274 HA VAL 36 HA VAL 36 -12.730 6.237 4.150 275 HB VAL 36 HB VAL 36 -10.892 6.646 1.713 276 HG11 VAL 36 1HG1 VAL 36 -12.661 5.344 0.516 277 HG12 VAL 36 2HG1 VAL 36 -12.136 4.398 1.919 278 HG13 VAL 36 3HG1 VAL 36 -13.677 5.280 1.972 279 HG21 VAL 36 3HG2 VAL 36 -13.222 7.747 0.804 280 HG22 VAL 36 1HG2 VAL 36 -13.367 8.202 2.544 281 HG23 VAL 36 2HG2 VAL 36 -11.969 8.692 1.626 282 H THR 37 H THR 37 -12.023 4.727 5.478 283 HA THR 37 HA THR 37 -9.647 3.997 6.370 284 HB THR 37 HB THR 37 -10.386 1.890 7.140 285 HG1 THR 37 HG1 THR 37 -11.374 1.484 4.880 286 HG21 THR 37 3HG2 THR 37 -12.233 2.533 8.427 287 HG22 THR 37 1HG2 THR 37 -11.853 4.143 7.730 288 HG23 THR 37 2HG2 THR 37 -13.136 3.158 7.032 289 HA PRO 38 HA PRO 38 -7.475 2.487 2.698 290 HB2 PRO 38 1HB PRO 38 -4.945 1.847 3.720 291 HB3 PRO 38 2HB PRO 38 -5.582 3.478 3.416 292 HG2 PRO 38 1HG PRO 38 -5.636 1.931 6.076 293 HG3 PRO 38 2HG PRO 38 -5.025 3.585 5.798 294 HD2 PRO 38 1HD PRO 38 -7.553 3.212 6.765 295 HD3 PRO 38 2HD PRO 38 -7.300 4.461 5.498 296 H THR 39 H THR 39 -8.484 0.772 1.970 297 HA THR 39 HA THR 39 -8.726 -1.761 3.269 298 HB THR 39 HB THR 39 -9.207 -1.179 0.298 299 HG1 THR 39 HG1 THR 39 -10.673 0.123 0.671 300 HG21 THR 39 3HG2 THR 39 -10.825 -2.884 2.304 301 HG22 THR 39 1HG2 THR 39 -11.300 -2.536 0.626 302 HG23 THR 39 2HG2 THR 39 -9.841 -3.488 0.936 303 H VAL 40 H VAL 40 -6.187 -1.816 3.367 304 HA VAL 40 HA VAL 40 -4.833 -2.734 0.905 305 HB VAL 40 HB VAL 40 -2.735 -2.735 1.904 306 HG11 VAL 40 1HG1 VAL 40 -3.640 -0.586 1.065 307 HG12 VAL 40 2HG1 VAL 40 -4.332 -0.200 2.651 308 HG13 VAL 40 3HG1 VAL 40 -2.569 -0.292 2.435 309 HG21 VAL 40 3HG2 VAL 40 -3.085 -3.461 4.267 310 HG22 VAL 40 1HG2 VAL 40 -2.273 -1.892 4.217 311 HG23 VAL 40 2HG2 VAL 40 -4.013 -1.974 4.584 312 H THR 41 H THR 41 -5.667 -4.514 0.322 313 HA THR 41 HA THR 41 -6.592 -6.517 2.231 314 HB THR 41 HB THR 41 -6.941 -6.153 -0.760 315 HG1 THR 41 HG1 THR 41 -7.866 -4.608 0.504 316 HG21 THR 41 3HG2 THR 41 -8.323 -8.247 1.002 317 HG22 THR 41 1HG2 THR 41 -8.928 -7.660 -0.573 318 HG23 THR 41 2HG2 THR 41 -7.382 -8.522 -0.472 319 H PHE 42 H PHE 42 -5.391 -8.007 2.996 320 HA PHE 42 HA PHE 42 -2.761 -8.494 1.637 321 HB2 PHE 42 1HB PHE 42 -3.767 -8.458 4.500 322 HB3 PHE 42 2HB PHE 42 -2.707 -9.793 4.232 323 HD1 PHE 42 HD1 PHE 42 -0.516 -9.292 2.797 324 HD2 PHE 42 HD2 PHE 42 -2.660 -6.342 5.069 325 HE1 PHE 42 HE1 PHE 42 1.520 -7.957 2.950 326 HE2 PHE 42 HE2 PHE 42 -0.591 -5.010 5.281 327 HZ PHE 42 HZ PHE 42 1.518 -5.816 4.258 328 H THR 43 H THR 43 -2.699 -10.024 0.312 329 HA THR 43 HA THR 43 -3.784 -12.812 0.929 330 HB THR 43 HB THR 43 -4.590 -12.884 -1.388 331 HG1 THR 43 HG1 THR 43 -3.612 -10.211 -1.536 332 HG21 THR 43 3HG2 THR 43 -5.630 -10.166 -0.366 333 HG22 THR 43 1HG2 THR 43 -6.511 -11.470 -1.204 334 HG23 THR 43 2HG2 THR 43 -6.011 -11.640 0.509 335 H MET 44 H MET 44 -2.529 -14.556 0.318 336 HA MET 44 HA MET 44 0.247 -13.954 -0.714 337 HB2 MET 44 1HB MET 44 0.974 -16.133 -0.106 338 HB3 MET 44 2HB MET 44 0.314 -15.226 1.235 339 HG2 MET 44 1HG MET 44 -1.838 -16.658 1.073 340 HG3 MET 44 2HG MET 44 -1.038 -17.615 -0.181 341 HE1 MET 44 3HE MET 44 -0.859 -19.874 3.066 342 HE2 MET 44 1HE MET 44 -2.159 -18.717 2.667 343 HE3 MET 44 2HE MET 44 -1.453 -19.748 1.385 344 H ASP 45 H ASP 45 0.538 -13.897 -2.825 345 HA ASP 45 HA ASP 45 -1.152 -15.649 -4.683 346 HB2 ASP 45 1HB ASP 45 -1.202 -13.110 -4.861 347 HB3 ASP 45 2HB ASP 45 0.489 -13.126 -5.352 348 H GLY 46 H GLY 46 0.069 -17.471 -4.200 349 HA2 GLY 46 1HA GLY 46 1.471 -19.212 -5.150 350 HA3 GLY 46 2HA GLY 46 2.161 -18.050 -6.257 351 H ASP 47 H ASP 47 3.534 -16.481 -5.083 352 HA ASP 47 HA ASP 47 5.614 -17.840 -3.309 353 HB2 ASP 47 1HB ASP 47 6.582 -17.058 -5.437 354 HB3 ASP 47 2HB ASP 47 5.885 -15.457 -5.252 355 H LYS 48 H LYS 48 3.939 -14.745 -3.804 356 HA LYS 48 HA LYS 48 4.743 -13.965 -0.979 357 HB2 LYS 48 1HB LYS 48 5.858 -12.113 -1.824 358 HB3 LYS 48 2HB LYS 48 6.406 -13.524 -2.665 359 HG2 LYS 48 1HG LYS 48 4.908 -12.745 -4.682 360 HG3 LYS 48 2HG LYS 48 4.633 -11.253 -3.766 361 HD2 LYS 48 1HD LYS 48 7.209 -11.003 -3.572 362 HD3 LYS 48 2HD LYS 48 7.372 -12.422 -4.597 363 HE2 LYS 48 1HE LYS 48 6.156 -11.188 -6.474 364 HE3 LYS 48 2HE LYS 48 6.023 -9.767 -5.412 365 HZ1 LYS 48 2HZ LYS 48 8.481 -9.851 -5.150 366 HZ3 LYS 48 1HZ LYS 48 7.983 -9.456 -6.651 367 H MET 49 H MET 49 4.069 -11.644 -0.469 368 HA MET 49 HA MET 49 1.111 -12.028 -0.107 369 HB2 MET 49 1HB MET 49 1.228 -10.638 1.856 370 HB3 MET 49 2HB MET 49 2.288 -12.027 1.956 371 HG2 MET 49 1HG MET 49 4.307 -10.531 1.542 372 HG3 MET 49 2HG MET 49 3.235 -9.151 1.346 373 HE1 MET 49 3HE MET 49 3.450 -12.218 4.097 374 HE2 MET 49 1HE MET 49 5.057 -11.537 3.698 375 HE3 MET 49 2HE MET 49 4.333 -11.261 5.307 376 H THR 50 H THR 50 -0.325 -10.661 -0.894 377 HA THR 50 HA THR 50 0.676 -8.278 -2.528 378 HB THR 50 HB THR 50 -1.648 -10.206 -3.169 379 HG1 THR 50 HG1 THR 50 0.506 -11.107 -3.282 380 HG21 THR 50 3HG2 THR 50 -1.849 -7.913 -4.237 381 HG22 THR 50 1HG2 THR 50 -0.222 -8.091 -4.901 382 HG23 THR 50 2HG2 THR 50 -1.505 -9.191 -5.433 383 H MET 51 H MET 51 -0.084 -6.485 -1.814 384 HA MET 51 HA MET 51 -2.503 -6.234 0.005 385 HB2 MET 51 1HB MET 51 -0.392 -4.217 -0.997 386 HB3 MET 51 2HB MET 51 -1.880 -3.678 -0.251 387 HG2 MET 51 1HG MET 51 -1.322 -4.564 1.923 388 HG3 MET 51 2HG MET 51 -0.115 -5.665 1.270 389 HE1 MET 51 3HE MET 51 -0.566 -1.730 2.406 390 HE2 MET 51 1HE MET 51 0.673 -1.048 1.312 391 HE3 MET 51 2HE MET 51 -0.812 -1.754 0.632 392 H LEU 52 H LEU 52 -4.222 -6.634 -1.351 393 HA LEU 52 HA LEU 52 -4.507 -5.248 -3.996 394 HB2 LEU 52 1HB LEU 52 -6.635 -6.954 -2.593 395 HB3 LEU 52 2HB LEU 52 -6.605 -6.470 -4.255 396 HG LEU 52 HG LEU 52 -4.384 -8.219 -2.995 397 HD11 LEU 52 1HD1 LEU 52 -5.467 -10.200 -3.727 398 HD12 LEU 52 2HD1 LEU 52 -6.630 -9.334 -2.712 399 HD13 LEU 52 3HD1 LEU 52 -6.841 -9.322 -4.480 400 HD21 LEU 52 3HD2 LEU 52 -5.247 -7.779 -5.939 401 HD22 LEU 52 1HD2 LEU 52 -3.769 -7.176 -5.141 402 HD23 LEU 52 2HD2 LEU 52 -3.998 -8.918 -5.381 403 H THR 53 H THR 53 -4.127 -3.280 -2.866 404 HA THR 53 HA THR 53 -5.764 -2.022 -0.938 405 HB THR 53 HB THR 53 -3.848 -0.854 -3.024 406 HG1 THR 53 HG1 THR 53 -2.398 -1.065 -1.401 407 HG21 THR 53 3HG2 THR 53 -5.136 1.035 -2.072 408 HG22 THR 53 1HG2 THR 53 -4.902 0.441 -0.426 409 HG23 THR 53 2HG2 THR 53 -3.504 1.026 -1.389 410 H GLU 54 H GLU 54 -7.856 -1.785 -1.219 411 HA GLU 54 HA GLU 54 -8.935 -0.304 -3.654 412 HB2 GLU 54 1HB GLU 54 -10.127 -2.414 -1.760 413 HB3 GLU 54 2HB GLU 54 -11.178 -1.414 -2.744 414 HG2 GLU 54 1HG GLU 54 -8.928 -3.196 -3.890 415 HG3 GLU 54 2HG GLU 54 -10.631 -3.624 -3.800 416 H SER 55 H SER 55 -8.196 1.608 -2.763 417 HA SER 55 HA SER 55 -10.008 2.937 -0.655 418 HB2 SER 55 1HB SER 55 -7.149 3.692 -1.613 419 HB3 SER 55 2HB SER 55 -8.075 4.561 -0.383 420 HG SER 55 HG SER 55 -7.480 1.796 -0.238 421 H THR 56 H THR 56 -10.626 5.231 -1.178 422 HA THR 56 HA THR 56 -11.651 5.509 -3.834 423 HB THR 56 HB THR 56 -11.221 7.653 -1.683 424 HG1 THR 56 HG1 THR 56 -13.608 6.344 -2.350 425 HG21 THR 56 3HG2 THR 56 -11.878 8.829 -3.821 426 HG22 THR 56 1HG2 THR 56 -13.222 7.699 -4.051 427 HG23 THR 56 2HG2 THR 56 -13.214 8.815 -2.663 428 H PHE 57 H PHE 57 -8.550 6.679 -2.771 429 HA PHE 57 HA PHE 57 -8.010 7.872 -5.553 430 HB2 PHE 57 1HB PHE 57 -6.965 8.579 -2.764 431 HB3 PHE 57 2HB PHE 57 -5.846 8.674 -4.042 432 HD1 PHE 57 HD1 PHE 57 -9.534 9.690 -3.759 433 HD2 PHE 57 HD2 PHE 57 -5.542 10.872 -4.891 434 HE1 PHE 57 HE1 PHE 57 -10.378 11.864 -4.507 435 HE2 PHE 57 HE2 PHE 57 -6.404 13.027 -5.643 436 HZ PHE 57 HZ PHE 57 -8.830 13.533 -5.476 437 H LYS 58 H LYS 58 -6.955 5.354 -3.402 438 HA LYS 58 HA LYS 58 -5.193 4.317 -5.695 439 HB2 LYS 58 1HB LYS 58 -4.610 3.899 -2.697 440 HB3 LYS 58 2HB LYS 58 -3.949 2.909 -3.984 441 HG2 LYS 58 1HG LYS 58 -3.027 5.106 -5.068 442 HG3 LYS 58 2HG LYS 58 -3.417 5.915 -3.564 443 HD2 LYS 58 1HD LYS 58 -1.640 3.379 -3.786 444 HD3 LYS 58 2HD LYS 58 -0.995 4.999 -3.890 445 HE2 LYS 58 1HE LYS 58 -1.690 5.577 -1.597 446 HE3 LYS 58 2HE LYS 58 -2.590 4.068 -1.403 447 HZ1 LYS 58 3HZ LYS 58 0.362 3.948 -2.165 448 HZ2 LYS 58 1HZ LYS 58 -0.069 4.039 -0.556 449 HZ3 LYS 58 2HZ LYS 58 -0.482 2.781 -1.543 450 H ASN 59 H ASN 59 -7.370 3.548 -6.353 451 HA ASN 59 HA ASN 59 -7.946 0.816 -5.144 452 HB2 ASN 59 1HB ASN 59 -9.781 0.617 -6.619 453 HB3 ASN 59 2HB ASN 59 -9.836 2.109 -5.736 454 HD21 ASN 59 1HD2 ASN 59 -9.910 0.755 -8.842 455 HD22 ASN 59 2HD2 ASN 59 -9.991 2.367 -9.726 456 H LEU 60 H LEU 60 -5.994 -0.179 -5.404 457 HA LEU 60 HA LEU 60 -5.272 -1.266 -8.068 458 HB2 LEU 60 1HB LEU 60 -3.031 -0.183 -8.283 459 HB3 LEU 60 2HB LEU 60 -4.369 0.926 -8.377 460 HG LEU 60 HG LEU 60 -3.907 1.278 -5.724 461 HD11 LEU 60 1HD1 LEU 60 -1.995 -0.375 -5.527 462 HD12 LEU 60 2HD1 LEU 60 -1.102 0.466 -6.803 463 HD13 LEU 60 3HD1 LEU 60 -1.414 1.265 -5.248 464 HD21 LEU 60 3HD2 LEU 60 -2.193 2.561 -7.973 465 HD22 LEU 60 1HD2 LEU 60 -3.815 3.086 -7.460 466 HD23 LEU 60 2HD2 LEU 60 -2.440 3.236 -6.347 467 H SER 61 H SER 61 -3.742 -2.958 -8.057 468 HA SER 61 HA SER 61 -3.166 -4.143 -5.351 469 HB2 SER 61 1HB SER 61 -2.534 -6.185 -6.643 470 HB3 SER 61 2HB SER 61 -4.136 -5.598 -7.110 471 HG SER 61 HG SER 61 -1.784 -4.816 -8.513 472 H VAL 62 H VAL 62 -1.206 -4.433 -4.426 473 HA VAL 62 HA VAL 62 1.302 -4.061 -6.128 474 HB VAL 62 HB VAL 62 1.840 -3.427 -3.281 475 HG11 VAL 62 1HG1 VAL 62 3.227 -1.617 -4.333 476 HG12 VAL 62 2HG1 VAL 62 3.547 -3.193 -5.074 477 HG13 VAL 62 3HG1 VAL 62 2.545 -1.990 -5.925 478 HG21 VAL 62 3HG2 VAL 62 1.084 -1.054 -3.296 479 HG22 VAL 62 1HG2 VAL 62 0.210 -1.314 -4.834 480 HG23 VAL 62 2HG2 VAL 62 -0.312 -2.157 -3.361 481 H THR 63 H THR 63 3.009 -5.403 -5.545 482 HA THR 63 HA THR 63 2.221 -7.933 -4.049 483 HB THR 63 HB THR 63 3.475 -8.082 -6.839 484 HG1 THR 63 HG1 THR 63 1.245 -7.281 -6.637 485 HG21 THR 63 3HG2 THR 63 3.901 -10.223 -5.930 486 HG22 THR 63 1HG2 THR 63 2.566 -10.152 -4.776 487 HG23 THR 63 2HG2 THR 63 2.255 -10.504 -6.495 488 H PHE 64 H PHE 64 3.810 -8.826 -2.939 489 HA PHE 64 HA PHE 64 6.708 -8.231 -3.237 490 HB2 PHE 64 1HB PHE 64 6.996 -6.724 -1.317 491 HB3 PHE 64 2HB PHE 64 5.971 -6.012 -2.521 492 HD1 PHE 64 HD1 PHE 64 3.500 -5.691 -2.112 493 HD2 PHE 64 HD2 PHE 64 6.047 -7.337 0.943 494 HE1 PHE 64 HE1 PHE 64 1.799 -5.200 -0.432 495 HE2 PHE 64 HE2 PHE 64 4.353 -6.767 2.648 496 HZ PHE 64 HZ PHE 64 2.234 -5.683 1.967 497 H LYS 65 H LYS 65 8.076 -9.198 -1.675 498 HA LYS 65 HA LYS 65 6.651 -11.142 0.229 499 HB2 LYS 65 1HB LYS 65 8.129 -12.767 -0.001 500 HB3 LYS 65 2HB LYS 65 8.118 -12.091 -1.601 501 HG2 LYS 65 1HG LYS 65 10.317 -10.962 -1.185 502 HG3 LYS 65 2HG LYS 65 10.349 -11.501 0.453 503 HD2 LYS 65 1HD LYS 65 11.760 -12.845 -1.147 504 HD3 LYS 65 2HD LYS 65 10.743 -13.738 -0.041 505 HE2 LYS 65 1HE LYS 65 10.709 -14.905 -2.140 506 HE3 LYS 65 2HE LYS 65 9.109 -14.307 -1.829 507 HZ1 LYS 65 3HZ LYS 65 9.318 -13.734 -3.995 508 HZ2 LYS 65 1HZ LYS 65 9.981 -12.251 -3.426 509 HZ3 LYS 65 2HZ LYS 65 10.952 -13.446 -3.980 510 H PHE 66 H PHE 66 7.927 -11.824 2.185 511 HA PHE 66 HA PHE 66 8.617 -9.466 3.869 512 HB2 PHE 66 1HB PHE 66 8.800 -11.004 5.663 513 HB3 PHE 66 2HB PHE 66 7.276 -11.117 4.847 514 HD1 PHE 66 HD1 PHE 66 6.720 -13.235 3.487 515 HD2 PHE 66 HD2 PHE 66 10.318 -12.954 5.851 516 HE1 PHE 66 HE1 PHE 66 7.002 -15.670 3.364 517 HE2 PHE 66 HE2 PHE 66 10.571 -15.396 5.735 518 HZ PHE 66 HZ PHE 66 8.919 -16.764 4.488 519 H GLY 67 H GLY 67 10.172 -9.086 2.112 520 HA2 GLY 67 1HA GLY 67 12.865 -8.733 2.961 521 HA3 GLY 67 2HA GLY 67 12.875 -10.356 2.251 522 H GLU 68 H GLU 68 11.228 -7.377 1.353 523 HA GLU 68 HA GLU 68 12.732 -7.017 -1.260 524 HB2 GLU 68 1HB GLU 68 9.828 -8.019 -0.987 525 HB3 GLU 68 2HB GLU 68 10.133 -6.832 -2.233 526 HG2 GLU 68 1HG GLU 68 11.790 -8.220 -3.378 527 HG3 GLU 68 2HG GLU 68 11.779 -9.428 -2.111 528 H GLU 69 H GLU 69 13.077 -4.881 -1.429 529 HA GLU 69 HA GLU 69 11.426 -2.882 0.047 530 HB2 GLU 69 1HB GLU 69 13.029 -1.244 -0.679 531 HB3 GLU 69 2HB GLU 69 13.696 -2.572 0.226 532 HG2 GLU 69 1HG GLU 69 13.944 -2.496 -2.861 533 HG3 GLU 69 2HG GLU 69 15.058 -1.642 -1.793 534 H PHE 70 H PHE 70 9.442 -3.370 -1.041 535 HA PHE 70 HA PHE 70 9.197 -3.298 -3.900 536 HB2 PHE 70 1HB PHE 70 7.015 -3.908 -3.748 537 HB3 PHE 70 2HB PHE 70 7.875 -4.689 -2.463 538 HD1 PHE 70 HD1 PHE 70 5.294 -2.152 -3.299 539 HD2 PHE 70 HD2 PHE 70 7.293 -4.154 -0.065 540 HE1 PHE 70 HE1 PHE 70 3.516 -1.437 -1.758 541 HE2 PHE 70 HE2 PHE 70 5.488 -3.475 1.462 542 HZ PHE 70 HZ PHE 70 3.586 -2.112 0.624 543 H ASP 71 H ASP 71 8.814 -1.643 -5.340 544 HA ASP 71 HA ASP 71 8.410 1.134 -4.389 545 HB2 ASP 71 1HB ASP 71 8.746 0.078 -7.208 546 HB3 ASP 71 2HB ASP 71 8.808 1.768 -6.749 547 H GLU 72 H GLU 72 6.726 2.591 -4.791 548 HA GLU 72 HA GLU 72 4.651 1.880 -6.807 549 HB2 GLU 72 1HB GLU 72 2.665 2.217 -5.546 550 HB3 GLU 72 2HB GLU 72 3.541 0.851 -4.907 551 HG2 GLU 72 1HG GLU 72 4.006 1.891 -2.826 552 HG3 GLU 72 2HG GLU 72 3.982 3.513 -3.480 553 H LYS 73 H LYS 73 3.433 3.589 -7.497 554 HA LYS 73 HA LYS 73 4.521 6.396 -6.887 555 HB2 LYS 73 1HB LYS 73 4.675 5.560 -9.298 556 HB3 LYS 73 2HB LYS 73 2.932 5.454 -9.376 557 HG2 LYS 73 1HG LYS 73 4.624 8.000 -8.900 558 HG3 LYS 73 2HG LYS 73 4.022 7.464 -10.451 559 HD2 LYS 73 1HD LYS 73 2.456 8.640 -8.110 560 HD3 LYS 73 2HD LYS 73 2.751 9.352 -9.656 561 HE2 LYS 73 1HE LYS 73 0.938 6.880 -9.157 562 HE3 LYS 73 2HE LYS 73 0.391 8.545 -9.242 563 HZ1 LYS 73 3HZ LYS 73 1.234 8.657 -11.594 564 HZ2 LYS 73 1HZ LYS 73 1.780 7.114 -11.517 565 HZ3 LYS 73 2HZ LYS 73 0.163 7.414 -11.460 566 H THR 74 H THR 74 3.268 7.610 -5.661 567 HA THR 74 HA THR 74 0.682 6.520 -4.752 568 HB THR 74 HB THR 74 0.820 8.306 -3.036 569 HG1 THR 74 HG1 THR 74 3.332 9.028 -4.074 570 HG21 THR 74 3HG2 THR 74 3.041 7.671 -1.995 571 HG22 THR 74 1HG2 THR 74 2.149 6.241 -2.573 572 HG23 THR 74 2HG2 THR 74 3.517 6.859 -3.511 573 H SER 75 H SER 75 -1.342 7.357 -4.985 574 HA SER 75 HA SER 75 -2.253 9.318 -6.876 575 HB2 SER 75 1HB SER 75 -4.342 9.142 -5.652 576 HB3 SER 75 2HB SER 75 -3.614 7.561 -5.790 577 HG SER 75 HG SER 75 -3.473 9.280 -3.513 578 H ASP 76 H ASP 76 -0.939 9.913 -3.694 579 HA ASP 76 HA ASP 76 -1.591 12.717 -3.323 580 HB2 ASP 76 1HB ASP 76 -0.794 11.001 -1.649 581 HB3 ASP 76 2HB ASP 76 0.743 10.878 -2.489 582 H GLY 77 H GLY 77 0.995 11.078 -5.077 583 HA2 GLY 77 1HA GLY 77 1.825 12.088 -7.191 584 HA3 GLY 77 2HA GLY 77 1.784 13.684 -6.466 585 H ARG 78 H ARG 78 3.336 10.510 -5.797 586 HA ARG 78 HA ARG 78 6.081 11.578 -5.757 587 HB2 ARG 78 1HB ARG 78 6.529 11.271 -3.283 588 HB3 ARG 78 2HB ARG 78 5.647 12.710 -3.754 589 HG2 ARG 78 1HG ARG 78 3.457 11.484 -3.044 590 HG3 ARG 78 2HG ARG 78 4.490 10.214 -2.389 591 HD2 ARG 78 1HD ARG 78 5.652 12.154 -0.965 592 HD3 ARG 78 2HD ARG 78 4.406 13.211 -1.607 593 HE ARG 78 HE ARG 78 2.634 12.028 -0.365 594 HH11 ARG 78 1HH1 ARG 78 5.664 10.468 0.083 595 HH12 ARG 78 2HH1 ARG 78 5.024 9.182 1.229 596 HH21 ARG 78 1HH2 ARG 78 1.866 10.748 0.834 597 HH22 ARG 78 2HH2 ARG 78 2.835 9.412 1.682 598 H ASN 79 H ASN 79 7.327 9.925 -6.163 599 HA ASN 79 HA ASN 79 6.394 7.107 -6.046 600 HB2 ASN 79 1HB ASN 79 8.475 6.440 -7.037 601 HB3 ASN 79 2HB ASN 79 7.667 7.670 -7.961 602 HD21 ASN 79 1HD2 ASN 79 8.838 9.573 -8.405 603 HD22 ASN 79 2HD2 ASN 79 10.562 9.770 -7.794 604 H VAL 80 H VAL 80 6.818 5.580 -4.530 605 HA VAL 80 HA VAL 80 8.752 6.219 -2.270 606 HB VAL 80 HB VAL 80 7.275 5.776 -0.528 607 HG11 VAL 80 1HG1 VAL 80 5.672 7.623 -0.531 608 HG12 VAL 80 2HG1 VAL 80 7.122 8.144 -1.426 609 HG13 VAL 80 3HG1 VAL 80 5.654 7.709 -2.307 610 HG21 VAL 80 3HG2 VAL 80 5.724 4.010 -1.471 611 HG22 VAL 80 1HG2 VAL 80 4.821 5.306 -0.676 612 HG23 VAL 80 2HG2 VAL 80 4.912 5.245 -2.454 613 H LYS 81 H LYS 81 9.182 4.331 -0.969 614 HA LYS 81 HA LYS 81 8.413 1.718 -2.201 615 HB2 LYS 81 1HB LYS 81 10.515 0.776 -2.515 616 HB3 LYS 81 2HB LYS 81 10.412 2.305 -3.347 617 HG2 LYS 81 1HG LYS 81 11.743 3.345 -1.352 618 HG3 LYS 81 2HG LYS 81 12.091 1.700 -0.829 619 HD2 LYS 81 1HD LYS 81 12.716 2.881 -3.640 620 HD3 LYS 81 2HD LYS 81 13.809 2.937 -2.281 621 HE2 LYS 81 1HE LYS 81 14.634 1.186 -3.568 622 HE3 LYS 81 2HE LYS 81 13.875 0.380 -2.201 623 HZ1 LYS 81 3HZ LYS 81 12.201 -0.544 -3.637 624 HZ2 LYS 81 1HZ LYS 81 12.151 0.753 -4.664 625 HZ3 LYS 81 2HZ LYS 81 13.346 -0.348 -4.782 626 H SER 82 H SER 82 9.328 -0.143 -0.702 627 HA SER 82 HA SER 82 8.988 0.626 2.209 628 HB2 SER 82 1HB SER 82 6.983 -0.986 0.558 629 HB3 SER 82 2HB SER 82 7.008 -1.060 2.330 630 HG SER 82 HG SER 82 7.034 1.450 1.050 631 H VAL 83 H VAL 83 10.568 -0.355 3.221 632 HA VAL 83 HA VAL 83 11.689 -2.988 2.276 633 HB VAL 83 HB VAL 83 13.142 -1.121 2.830 634 HG11 VAL 83 1HG1 VAL 83 12.562 -1.549 5.808 635 HG12 VAL 83 2HG1 VAL 83 13.883 -0.594 5.102 636 HG13 VAL 83 3HG1 VAL 83 12.214 -0.090 4.833 637 HG21 VAL 83 3HG2 VAL 83 14.027 -3.439 2.749 638 HG22 VAL 83 1HG2 VAL 83 14.874 -2.494 3.991 639 HG23 VAL 83 2HG2 VAL 83 13.640 -3.678 4.469 640 H VAL 84 H VAL 84 10.673 -4.751 2.815 641 HA VAL 84 HA VAL 84 8.952 -4.841 5.270 642 HB VAL 84 HB VAL 84 9.029 -6.784 2.886 643 HG11 VAL 84 1HG1 VAL 84 7.777 -7.595 5.024 644 HG12 VAL 84 2HG1 VAL 84 6.737 -6.167 4.897 645 HG13 VAL 84 3HG1 VAL 84 6.724 -7.403 3.610 646 HG21 VAL 84 3HG2 VAL 84 6.977 -5.526 2.059 647 HG22 VAL 84 1HG2 VAL 84 7.321 -4.226 3.228 648 HG23 VAL 84 2HG2 VAL 84 8.463 -4.608 1.930 649 H GLU 85 H GLU 85 9.300 -6.011 6.910 650 HA GLU 85 HA GLU 85 10.889 -8.626 6.764 651 HB2 GLU 85 1HB GLU 85 12.448 -7.025 7.602 652 HB3 GLU 85 2HB GLU 85 11.361 -6.354 8.782 653 HG2 GLU 85 1HG GLU 85 12.342 -9.287 8.941 654 HG3 GLU 85 2HG GLU 85 13.265 -7.938 9.554 655 H LYS 86 H LYS 86 9.749 -10.261 7.584 656 HA LYS 86 HA LYS 86 7.327 -9.728 9.320 657 HB2 LYS 86 1HB LYS 86 6.945 -11.047 7.204 658 HB3 LYS 86 2HB LYS 86 8.025 -12.297 7.797 659 HG2 LYS 86 1HG LYS 86 6.460 -12.647 9.815 660 HG3 LYS 86 2HG LYS 86 5.474 -11.311 9.260 661 HD2 LYS 86 1HD LYS 86 4.228 -12.988 8.430 662 HD3 LYS 86 2HD LYS 86 5.176 -12.636 7.010 663 HE2 LYS 86 1HE LYS 86 5.368 -15.029 8.944 664 HE3 LYS 86 2HE LYS 86 4.893 -15.042 7.276 665 HZ1 LYS 86 3HZ LYS 86 7.156 -15.824 7.312 666 HZ2 LYS 86 1HZ LYS 86 7.382 -14.253 6.842 667 HZ3 LYS 86 2HZ LYS 86 7.651 -14.696 8.399 668 H ASN 87 H ASN 87 7.698 -9.996 11.351 669 HA ASN 87 HA ASN 87 10.347 -11.142 12.272 670 HB2 ASN 87 1HB ASN 87 9.308 -8.841 12.907 671 HB3 ASN 87 2HB ASN 87 8.233 -9.710 13.979 672 HD21 ASN 87 1HD2 ASN 87 11.687 -9.300 13.211 673 HD22 ASN 87 2HD2 ASN 87 12.193 -9.401 14.996 674 H SER 88 H SER 88 7.056 -12.179 12.504 675 HA SER 88 HA SER 88 8.112 -14.855 12.996 676 HB2 SER 88 1HB SER 88 6.222 -13.856 15.221 677 HB3 SER 88 2HB SER 88 6.593 -15.561 14.921 678 HG SER 88 HG SER 88 8.785 -13.828 15.019 679 H GLU 89 H GLU 89 4.731 -14.869 13.648 680 HA GLU 89 HA GLU 89 4.081 -14.639 10.683 681 HB2 GLU 89 1HB GLU 89 4.243 -16.912 11.749 682 HB3 GLU 89 2HB GLU 89 2.923 -16.519 12.831 683 HG2 GLU 89 1HG GLU 89 2.248 -17.969 10.930 684 HG3 GLU 89 2HG GLU 89 1.295 -16.512 11.060 685 H SER 90 H SER 90 3.428 -12.898 13.226 686 HA SER 90 HA SER 90 1.544 -11.367 11.729 687 HB2 SER 90 1HB SER 90 -0.240 -12.772 12.691 688 HB3 SER 90 2HB SER 90 0.293 -12.413 14.342 689 HG SER 90 HG SER 90 -0.077 -10.173 13.851 690 H LYS 91 H LYS 91 3.951 -10.758 12.287 691 HA LYS 91 HA LYS 91 3.701 -8.232 13.863 692 HB2 LYS 91 1HB LYS 91 4.501 -10.231 15.435 693 HB3 LYS 91 2HB LYS 91 6.025 -10.138 14.600 694 HG2 LYS 91 1HG LYS 91 4.598 -8.007 16.287 695 HG3 LYS 91 2HG LYS 91 5.990 -8.971 16.750 696 HD2 LYS 91 1HD LYS 91 7.279 -7.762 14.795 697 HD3 LYS 91 2HD LYS 91 5.925 -6.657 14.699 698 HE2 LYS 91 1HE LYS 91 7.717 -7.189 17.179 699 HE3 LYS 91 2HE LYS 91 7.874 -5.831 16.073 700 HZ1 LYS 91 3HZ LYS 91 5.543 -5.101 16.783 701 HZ2 LYS 91 1HZ LYS 91 5.486 -6.310 17.878 702 HZ3 LYS 91 2HZ LYS 91 6.586 -5.114 18.054 703 H LEU 92 H LEU 92 3.905 -7.361 11.776 704 HA LEU 92 HA LEU 92 6.540 -7.885 10.278 705 HB2 LEU 92 1HB LEU 92 4.615 -9.024 9.395 706 HB3 LEU 92 2HB LEU 92 3.614 -7.603 9.319 707 HG LEU 92 HG LEU 92 6.252 -7.539 7.807 708 HD11 LEU 92 1HD1 LEU 92 3.807 -8.900 6.524 709 HD12 LEU 92 2HD1 LEU 92 5.451 -8.757 5.886 710 HD13 LEU 92 3HD1 LEU 92 5.126 -9.829 7.257 711 HD21 LEU 92 3HD2 LEU 92 3.394 -6.548 7.100 712 HD22 LEU 92 1HD2 LEU 92 4.705 -5.526 7.722 713 HD23 LEU 92 2HD2 LEU 92 4.843 -6.284 6.119 714 H THR 93 H THR 93 7.727 -6.222 9.545 715 HA THR 93 HA THR 93 6.674 -3.375 10.099 716 HB THR 93 HB THR 93 8.340 -4.181 11.667 717 HG1 THR 93 HG1 THR 93 7.956 -1.968 11.140 718 HG21 THR 93 3HG2 THR 93 10.668 -4.361 11.249 719 HG22 THR 93 1HG2 THR 93 9.878 -5.350 9.991 720 HG23 THR 93 2HG2 THR 93 10.541 -3.755 9.580 721 H GLN 94 H GLN 94 5.816 -3.618 8.118 722 HA GLN 94 HA GLN 94 7.281 -3.459 5.581 723 HB2 GLN 94 1HB GLN 94 4.842 -4.124 5.934 724 HB3 GLN 94 2HB GLN 94 4.456 -2.471 6.330 725 HG2 GLN 94 1HG GLN 94 5.440 -2.043 3.798 726 HG3 GLN 94 2HG GLN 94 5.104 -3.763 3.648 727 HE21 GLN 94 1HE2 GLN 94 3.766 -0.899 3.000 728 HE22 GLN 94 2HE2 GLN 94 2.005 -1.403 3.131 729 H THR 95 H THR 95 8.927 -1.858 6.121 730 HA THR 95 HA THR 95 8.064 0.729 7.264 731 HB THR 95 HB THR 95 10.943 -0.092 6.572 732 HG1 THR 95 HG1 THR 95 10.081 -1.611 7.884 733 HG21 THR 95 3HG2 THR 95 9.681 2.045 8.415 734 HG22 THR 95 1HG2 THR 95 11.323 1.445 8.650 735 HG23 THR 95 2HG2 THR 95 10.891 2.283 7.154 736 H GLN 96 H GLN 96 7.604 2.482 6.126 737 HA GLN 96 HA GLN 96 7.820 2.215 3.145 738 HB2 GLN 96 1HB GLN 96 6.232 4.488 4.385 739 HB3 GLN 96 2HB GLN 96 6.210 3.871 2.765 740 HG2 GLN 96 1HG GLN 96 5.296 1.638 3.644 741 HG3 GLN 96 2HG GLN 96 5.239 2.304 5.255 742 HE21 GLN 96 1HE2 GLN 96 4.109 4.769 4.964 743 HE22 GLN 96 2HE2 GLN 96 2.455 4.532 4.204 744 H VAL 97 H VAL 97 9.251 3.262 1.889 745 HA VAL 97 HA VAL 97 11.092 5.335 3.191 746 HB VAL 97 HB VAL 97 11.569 3.292 0.941 747 HG11 VAL 97 1HG1 VAL 97 12.798 5.389 0.331 748 HG12 VAL 97 2HG1 VAL 97 13.343 5.565 2.009 749 HG13 VAL 97 3HG1 VAL 97 13.969 4.232 0.995 750 HG21 VAL 97 3HG2 VAL 97 11.766 2.314 3.245 751 HG22 VAL 97 1HG2 VAL 97 13.386 2.504 2.560 752 HG23 VAL 97 2HG2 VAL 97 12.785 3.667 3.777 753 H ASP 98 H ASP 98 9.353 6.805 2.893 754 HA ASP 98 HA ASP 98 8.572 7.761 0.246 755 HB2 ASP 98 1HB ASP 98 8.389 8.943 3.113 756 HB3 ASP 98 2HB ASP 98 7.495 9.565 1.771 757 HA PRO 99 HA PRO 99 11.782 11.209 0.023 758 HB2 PRO 99 1HB PRO 99 10.288 13.487 -0.674 759 HB3 PRO 99 2HB PRO 99 10.752 12.190 -1.794 760 HG2 PRO 99 1HG PRO 99 8.096 12.434 -0.249 761 HG3 PRO 99 2HG PRO 99 8.308 12.218 -2.009 762 HD2 PRO 99 1HD PRO 99 7.819 10.041 -0.410 763 HD3 PRO 99 2HD PRO 99 9.023 9.887 -1.723 764 H LYS 100 H LYS 100 9.402 11.127 2.336 765 HA LYS 100 HA LYS 100 11.083 12.918 4.158 766 HB2 LYS 100 1HB LYS 100 8.118 12.822 3.971 767 HB3 LYS 100 2HB LYS 100 8.591 12.238 5.524 768 HG2 LYS 100 1HG LYS 100 9.565 14.923 4.369 769 HG3 LYS 100 2HG LYS 100 8.131 14.707 5.367 770 HD2 LYS 100 1HD LYS 100 9.569 13.696 7.223 771 HD3 LYS 100 2HD LYS 100 11.010 14.018 6.258 772 HE2 LYS 100 1HE LYS 100 10.378 16.526 6.222 773 HE3 LYS 100 2HE LYS 100 8.987 16.161 7.254 774 HZ1 LYS 100 3HZ LYS 100 10.597 15.227 8.947 775 HZ2 LYS 100 1HZ LYS 100 11.870 15.594 7.989 776 HZ3 LYS 100 2HZ LYS 100 10.968 16.803 8.644 777 H ASN 101 H ASN 101 10.607 9.685 3.437 778 HA ASN 101 HA ASN 101 10.755 7.649 4.513 779 HB2 ASN 101 1HB ASN 101 12.673 9.183 6.355 780 HB3 ASN 101 2HB ASN 101 12.439 7.453 6.399 781 HD21 ASN 101 1HD2 ASN 101 13.692 10.037 4.401 782 HD22 ASN 101 2HD2 ASN 101 14.577 8.877 3.279 783 H THR 102 H THR 102 9.055 6.681 5.339 784 HA THR 102 HA THR 102 7.680 7.681 7.826 785 HB THR 102 HB THR 102 7.086 5.206 6.146 786 HG1 THR 102 HG1 THR 102 6.521 6.906 4.789 787 HG21 THR 102 3HG2 THR 102 4.883 5.165 7.190 788 HG22 THR 102 1HG2 THR 102 6.046 5.227 8.530 789 HG23 THR 102 2HG2 THR 102 5.165 6.688 8.040 790 H THR 103 H THR 103 7.997 6.651 9.833 791 HA THR 103 HA THR 103 10.554 5.077 10.025 792 HB THR 103 HB THR 103 8.870 6.604 12.038 793 HG1 THR 103 HG1 THR 103 10.395 7.412 10.190 794 HG21 THR 103 3HG2 THR 103 11.726 5.482 12.447 795 HG22 THR 103 1HG2 THR 103 10.786 6.469 13.589 796 HG23 THR 103 2HG2 THR 103 10.266 4.812 13.205 797 H VAL 104 H VAL 104 10.698 3.079 11.053 798 HA VAL 104 HA VAL 104 9.355 1.002 10.274 799 HB VAL 104 HB VAL 104 9.805 -0.388 12.221 800 HG11 VAL 104 1HG1 VAL 104 12.274 -0.286 12.015 801 HG12 VAL 104 2HG1 VAL 104 11.487 -0.114 10.446 802 HG13 VAL 104 3HG1 VAL 104 12.184 1.314 11.248 803 HG21 VAL 104 3HG2 VAL 104 11.197 0.438 14.118 804 HG22 VAL 104 1HG2 VAL 104 11.056 2.118 13.554 805 HG23 VAL 104 2HG2 VAL 104 9.629 1.255 14.153 806 H ILE 105 H ILE 105 7.258 0.932 9.822 807 HA ILE 105 HA ILE 105 5.216 1.389 11.911 808 HB ILE 105 HB ILE 105 3.586 1.369 10.170 809 HG12 ILE 105 1HG1 ILE 105 4.470 1.455 7.697 810 HG13 ILE 105 2HG1 ILE 105 5.789 0.442 8.230 811 HG21 ILE 105 1HG2 ILE 105 6.097 2.958 9.314 812 HG22 ILE 105 2HG2 ILE 105 4.422 3.374 8.948 813 HG23 ILE 105 3HG2 ILE 105 5.008 3.430 10.625 814 HD11 ILE 105 3HD1 ILE 105 2.873 -0.431 8.756 815 HD12 ILE 105 1HD1 ILE 105 3.613 -0.589 7.145 816 HD13 ILE 105 2HD1 ILE 105 4.315 -1.441 8.537 817 H VAL 106 H VAL 106 6.370 -0.629 12.906 818 HA VAL 106 HA VAL 106 5.824 -3.288 12.353 819 HB VAL 106 HB VAL 106 5.772 -3.781 14.877 820 HG11 VAL 106 1HG1 VAL 106 7.885 -3.991 13.744 821 HG12 VAL 106 2HG1 VAL 106 8.157 -2.229 13.706 822 HG13 VAL 106 3HG1 VAL 106 8.186 -3.115 15.241 823 HG21 VAL 106 3HG2 VAL 106 6.548 -0.829 15.301 824 HG22 VAL 106 1HG2 VAL 106 4.881 -1.378 15.448 825 HG23 VAL 106 2HG2 VAL 106 6.141 -2.066 16.519 826 H ARG 107 H ARG 107 4.074 -4.147 11.629 827 HA ARG 107 HA ARG 107 1.353 -3.611 12.803 828 HB2 ARG 107 1HB ARG 107 0.294 -4.458 11.063 829 HB3 ARG 107 2HB ARG 107 1.571 -3.406 10.485 830 HG2 ARG 107 1HG ARG 107 2.849 -5.312 9.577 831 HG3 ARG 107 2HG ARG 107 1.764 -6.466 10.311 832 HD2 ARG 107 1HD ARG 107 1.109 -6.419 8.085 833 HD3 ARG 107 2HD ARG 107 -0.159 -5.529 8.857 834 HE ARG 107 HE ARG 107 1.959 -4.457 6.950 835 HH11 ARG 107 1HH1 ARG 107 -0.746 -3.552 9.002 836 HH12 ARG 107 2HH1 ARG 107 -0.912 -1.973 8.106 837 HH21 ARG 107 1HH2 ARG 107 1.567 -2.763 5.873 838 HH22 ARG 107 2HH2 ARG 107 0.347 -1.549 6.470 839 H GLU 108 H GLU 108 1.174 -4.512 14.677 840 HA GLU 108 HA GLU 108 1.754 -7.504 15.164 841 HB2 GLU 108 1HB GLU 108 3.228 -5.827 16.277 842 HB3 GLU 108 2HB GLU 108 1.857 -5.083 17.057 843 HG2 GLU 108 1HG GLU 108 2.021 -8.048 17.674 844 HG3 GLU 108 2HG GLU 108 3.517 -7.229 18.017 845 H VAL 109 H VAL 109 0.124 -7.362 17.675 846 HA VAL 109 HA VAL 109 -2.644 -7.016 16.756 847 HB VAL 109 HB VAL 109 -2.171 -8.803 15.231 848 HG11 VAL 109 1HG1 VAL 109 -1.647 -11.143 15.859 849 HG12 VAL 109 2HG1 VAL 109 -0.392 -10.056 16.493 850 HG13 VAL 109 3HG1 VAL 109 -1.615 -10.720 17.592 851 HG21 VAL 109 3HG2 VAL 109 -4.110 -9.941 17.267 852 HG22 VAL 109 1HG2 VAL 109 -4.487 -8.670 16.086 853 HG23 VAL 109 2HG2 VAL 109 -4.012 -10.287 15.530 854 H ASP 110 H ASP 110 -4.043 -6.816 18.313 855 HA ASP 110 HA ASP 110 -3.472 -8.143 21.017 856 HB2 ASP 110 1HB ASP 110 -5.011 -5.610 20.196 857 HB3 ASP 110 2HB ASP 110 -5.277 -6.332 21.749 858 H GLY 111 H GLY 111 -4.318 -9.957 19.356 859 HA2 GLY 111 1HA GLY 111 -5.952 -11.802 19.429 860 HA3 GLY 111 2HA GLY 111 -6.998 -10.827 20.434 861 H ASP 112 H ASP 112 -5.859 -11.236 17.170 862 HA ASP 112 HA ASP 112 -6.627 -10.720 15.091 863 HB2 ASP 112 1HB ASP 112 -8.505 -12.242 15.895 864 HB3 ASP 112 2HB ASP 112 -9.504 -10.825 16.138 865 H THR 113 H THR 113 -6.753 -8.387 17.067 866 HA THR 113 HA THR 113 -7.918 -6.229 15.325 867 HB THR 113 HB THR 113 -9.180 -6.156 17.286 868 HG1 THR 113 HG1 THR 113 -8.612 -3.969 17.854 869 HG21 THR 113 3HG2 THR 113 -8.421 -5.376 19.476 870 HG22 THR 113 1HG2 THR 113 -7.766 -6.973 19.117 871 HG23 THR 113 2HG2 THR 113 -6.720 -5.551 19.017 872 H MET 114 H MET 114 -6.230 -6.571 14.246 873 HA MET 114 HA MET 114 -3.514 -6.689 14.981 874 HB2 MET 114 1HB MET 114 -4.578 -7.719 13.066 875 HB3 MET 114 2HB MET 114 -4.714 -6.179 12.253 876 HG2 MET 114 1HG MET 114 -2.088 -6.056 12.368 877 HG3 MET 114 2HG MET 114 -2.142 -7.696 13.038 878 HE1 MET 114 3HE MET 114 -0.655 -8.855 11.071 879 HE2 MET 114 1HE MET 114 -0.720 -8.068 9.472 880 HE3 MET 114 2HE MET 114 -0.399 -7.099 10.940 881 H LYS 115 H LYS 115 -2.424 -5.141 15.966 882 HA LYS 115 HA LYS 115 -2.955 -2.256 15.382 883 HB2 LYS 115 1HB LYS 115 -1.862 -1.679 17.358 884 HB3 LYS 115 2HB LYS 115 -3.050 -2.923 17.650 885 HG2 LYS 115 1HG LYS 115 -1.427 -4.586 18.240 886 HG3 LYS 115 2HG LYS 115 -0.075 -3.736 17.506 887 HD2 LYS 115 1HD LYS 115 -0.330 -1.832 19.120 888 HD3 LYS 115 2HD LYS 115 -1.679 -2.622 19.905 889 HE2 LYS 115 1HE LYS 115 1.234 -3.710 19.808 890 HE3 LYS 115 2HE LYS 115 0.508 -2.803 21.138 891 HZ1 LYS 115 3HZ LYS 115 -1.353 -4.775 20.899 892 HZ2 LYS 115 1HZ LYS 115 0.014 -5.622 20.311 893 HZ3 LYS 115 2HZ LYS 115 -0.011 -5.003 21.839 894 H THR 116 H THR 116 -1.732 -1.071 14.087 895 HA THR 116 HA THR 116 1.185 -1.679 13.600 896 HB THR 116 HB THR 116 0.262 -1.952 11.510 897 HG1 THR 116 HG1 THR 116 2.292 -1.036 11.460 898 HG21 THR 116 3HG2 THR 116 -0.572 1.020 11.440 899 HG22 THR 116 1HG2 THR 116 -0.576 -0.114 10.082 900 HG23 THR 116 2HG2 THR 116 -1.719 -0.327 11.418 901 H THR 117 H THR 117 2.285 -0.568 14.850 902 HA THR 117 HA THR 117 1.419 2.041 16.049 903 HB THR 117 HB THR 117 4.141 0.589 16.136 904 HG1 THR 117 HG1 THR 117 2.190 -0.506 16.957 905 HG21 THR 117 3HG2 THR 117 4.507 1.760 18.305 906 HG22 THR 117 1HG2 THR 117 4.304 2.968 17.021 907 HG23 THR 117 2HG2 THR 117 2.960 2.612 18.141 908 H VAL 118 H VAL 118 1.090 3.317 14.167 909 HA VAL 118 HA VAL 118 3.282 3.354 12.152 910 HB VAL 118 HB VAL 118 1.055 2.870 11.509 911 HG11 VAL 118 1HG1 VAL 118 -0.292 4.682 12.700 912 HG12 VAL 118 2HG1 VAL 118 0.292 5.842 11.501 913 HG13 VAL 118 3HG1 VAL 118 -0.663 4.422 11.007 914 HG21 VAL 118 3HG2 VAL 118 1.215 4.627 9.402 915 HG22 VAL 118 1HG2 VAL 118 2.814 4.914 10.139 916 HG23 VAL 118 2HG2 VAL 118 2.314 3.278 9.645 917 H THR 119 H THR 119 4.948 4.444 12.839 918 HA THR 119 HA THR 119 4.613 7.306 13.860 919 HB THR 119 HB THR 119 5.411 5.701 15.489 920 HG1 THR 119 HG1 THR 119 7.752 6.895 15.297 921 HG21 THR 119 3HG2 THR 119 6.621 3.998 14.139 922 HG22 THR 119 1HG2 THR 119 7.875 5.165 13.721 923 HG23 THR 119 2HG2 THR 119 7.650 4.647 15.421 924 H VAL 120 H VAL 120 6.135 8.895 13.351 925 HA VAL 120 HA VAL 120 8.069 8.399 11.023 926 HB VAL 120 HB VAL 120 6.166 10.807 11.009 927 HG11 VAL 120 1HG1 VAL 120 8.308 11.111 9.724 928 HG12 VAL 120 2HG1 VAL 120 8.032 9.600 8.851 929 HG13 VAL 120 3HG1 VAL 120 6.940 10.964 8.608 930 HG21 VAL 120 3HG2 VAL 120 5.844 8.102 9.624 931 HG22 VAL 120 1HG2 VAL 120 4.741 8.899 10.753 932 HG23 VAL 120 2HG2 VAL 120 4.928 9.588 9.126 933 H GLY 121 H GLY 121 9.720 8.520 12.507 934 HA2 GLY 121 1HA GLY 121 11.290 9.482 14.048 935 HA3 GLY 121 2HA GLY 121 10.767 11.064 13.508 936 H ASP 122 H ASP 122 8.368 11.260 14.290 937 HA ASP 122 HA ASP 122 8.011 10.848 17.232 938 HB2 ASP 122 1HB ASP 122 8.157 13.124 18.003 939 HB3 ASP 122 2HB ASP 122 9.681 12.642 17.295 940 H VAL 123 H VAL 123 6.220 9.780 15.919 941 HA VAL 123 HA VAL 123 3.845 11.602 16.363 942 HB VAL 123 HB VAL 123 4.008 9.818 13.839 943 HG11 VAL 123 1HG1 VAL 123 1.745 11.603 15.019 944 HG12 VAL 123 2HG1 VAL 123 1.716 10.979 13.377 945 HG13 VAL 123 3HG1 VAL 123 1.656 9.852 14.734 946 HG21 VAL 123 3HG2 VAL 123 3.964 12.896 14.130 947 HG22 VAL 123 1HG2 VAL 123 5.244 11.895 13.388 948 HG23 VAL 123 2HG2 VAL 123 3.641 12.044 12.611 949 H THR 124 H THR 124 4.578 8.209 15.568 950 HA THR 124 HA THR 124 3.588 6.233 16.251 951 HB THR 124 HB THR 124 3.962 7.714 18.874 952 HG1 THR 124 HG1 THR 124 5.729 7.225 17.519 953 HG21 THR 124 3HG2 THR 124 4.112 5.524 20.035 954 HG22 THR 124 1HG2 THR 124 2.452 5.779 19.469 955 HG23 THR 124 2HG2 THR 124 3.536 4.681 18.590 956 H ALA 125 H ALA 125 1.769 6.289 15.028 957 HA ALA 125 HA ALA 125 -0.828 7.036 16.456 958 HB1 ALA 125 3HB ALA 125 -0.028 6.773 13.506 959 HB2 ALA 125 1HB ALA 125 -1.726 6.829 13.972 960 HB3 ALA 125 2HB ALA 125 -0.626 8.169 14.375 961 H ILE 126 H ILE 126 -0.906 5.305 17.806 962 HA ILE 126 HA ILE 126 -0.392 2.620 17.128 963 HB ILE 126 HB ILE 126 -0.260 3.656 19.334 964 HG12 ILE 126 1HG1 ILE 126 -1.062 1.714 20.730 965 HG13 ILE 126 2HG1 ILE 126 -1.868 1.027 19.324 966 HG21 ILE 126 1HG2 ILE 126 -3.304 3.259 19.723 967 HG22 ILE 126 2HG2 ILE 126 -2.120 3.840 20.913 968 HG23 ILE 126 3HG2 ILE 126 -2.512 4.826 19.500 969 HD11 ILE 126 3HD1 ILE 126 0.514 0.143 19.815 970 HD12 ILE 126 1HD1 ILE 126 0.321 0.761 18.158 971 HD13 ILE 126 2HD1 ILE 126 1.155 1.737 19.391 972 H ARG 127 H ARG 127 -1.383 1.722 15.391 973 HA ARG 127 HA ARG 127 -4.193 2.149 14.920 974 HB2 ARG 127 1HB ARG 127 -2.133 0.747 13.360 975 HB3 ARG 127 2HB ARG 127 -3.590 -0.174 13.319 976 HG2 ARG 127 1HG ARG 127 -3.671 1.162 11.449 977 HG3 ARG 127 2HG ARG 127 -4.865 1.841 12.525 978 HD2 ARG 127 1HD ARG 127 -2.053 2.889 11.858 979 HD3 ARG 127 2HD ARG 127 -3.547 3.554 11.252 980 HE ARG 127 HE ARG 127 -2.229 4.161 13.835 981 HH11 ARG 127 1HH1 ARG 127 -5.462 3.966 12.543 982 HH12 ARG 127 2HH1 ARG 127 -6.187 4.618 14.090 983 HH21 ARG 127 1HH2 ARG 127 -3.076 4.873 15.501 984 HH22 ARG 127 2HH2 ARG 127 -4.903 4.880 15.677 985 H ASN 128 H ASN 128 -5.952 0.918 14.626 986 HA ASN 128 HA ASN 128 -5.907 -1.909 15.695 987 HB2 ASN 128 1HB ASN 128 -7.811 0.423 16.518 988 HB3 ASN 128 2HB ASN 128 -8.427 -1.181 16.581 989 HD21 ASN 128 1HD2 ASN 128 -6.679 -2.774 17.796 990 HD22 ASN 128 2HD2 ASN 128 -6.197 -2.009 19.396 991 H TYR 129 H TYR 129 -6.896 -3.215 14.230 992 HA TYR 129 HA TYR 129 -9.118 -2.280 12.454 993 HB2 TYR 129 1HB TYR 129 -8.051 -2.747 10.323 994 HB3 TYR 129 2HB TYR 129 -7.375 -1.388 11.142 995 HD1 TYR 129 HD1 TYR 129 -6.678 -5.022 10.375 996 HD2 TYR 129 HD2 TYR 129 -4.980 -1.196 11.385 997 HE1 TYR 129 HE1 TYR 129 -4.473 -5.828 9.723 998 HE2 TYR 129 HE2 TYR 129 -2.739 -2.071 10.798 999 HH TYR 129 HH TYR 129 -2.293 -5.454 9.981 1000 H LYS 130 H LYS 130 -10.206 -3.992 11.400 1001 HA LYS 130 HA LYS 130 -9.572 -6.780 12.565 1002 HB2 LYS 130 1HB LYS 130 -12.370 -5.725 11.762 1003 HB3 LYS 130 2HB LYS 130 -11.987 -7.366 12.219 1004 HG2 LYS 130 1HG LYS 130 -12.081 -4.878 13.987 1005 HG3 LYS 130 2HG LYS 130 -13.151 -6.252 13.981 1006 HD2 LYS 130 1HD LYS 130 -10.387 -5.933 15.166 1007 HD3 LYS 130 2HD LYS 130 -11.875 -6.388 15.953 1008 HE2 LYS 130 1HE LYS 130 -10.009 -8.118 14.230 1009 HE3 LYS 130 2HE LYS 130 -10.272 -8.222 15.950 1010 HZ1 LYS 130 3HZ LYS 130 -12.508 -8.845 14.029 1011 HZ2 LYS 130 1HZ LYS 130 -11.292 -9.930 14.363 1012 HZ3 LYS 130 2HZ LYS 130 -12.321 -9.400 15.580 1013 H ARG 131 H ARG 131 -9.277 -8.305 11.017 1014 HA ARG 131 HA ARG 131 -9.574 -7.676 8.078 1015 HB2 ARG 131 1HB ARG 131 -8.571 -10.136 9.597 1016 HB3 ARG 131 2HB ARG 131 -8.777 -10.170 7.862 1017 HG2 ARG 131 1HG ARG 131 -7.135 -8.544 7.386 1018 HG3 ARG 131 2HG ARG 131 -7.026 -7.940 9.033 1019 HD2 ARG 131 1HD ARG 131 -6.203 -10.838 8.260 1020 HD3 ARG 131 2HD ARG 131 -5.120 -9.472 8.174 1021 HE ARG 131 HE ARG 131 -5.191 -9.147 10.628 1022 HH11 ARG 131 1HH1 ARG 131 -6.990 -12.040 9.736 1023 HH12 ARG 131 2HH1 ARG 131 -7.425 -12.260 11.519 1024 HH21 ARG 131 1HH2 ARG 131 -5.779 -9.555 12.580 1025 HH22 ARG 131 2HH2 ARG 131 -6.879 -11.003 12.858 1026 H LEU 132 H LEU 132 -10.985 -8.514 6.807 1027 HA LEU 132 HA LEU 132 -13.476 -9.790 7.992 1028 HB2 LEU 132 1HB LEU 132 -13.070 -7.798 5.676 1029 HB3 LEU 132 2HB LEU 132 -14.644 -8.389 6.209 1030 HG LEU 132 HG LEU 132 -12.665 -6.670 7.834 1031 HD11 LEU 132 1HD1 LEU 132 -13.741 -5.518 5.883 1032 HD12 LEU 132 2HD1 LEU 132 -15.357 -5.931 6.501 1033 HD13 LEU 132 3HD1 LEU 132 -14.281 -4.838 7.416 1034 HD21 LEU 132 3HD2 LEU 132 -14.018 -8.056 9.409 1035 HD22 LEU 132 1HD2 LEU 132 -14.525 -6.375 9.490 1036 HD23 LEU 132 2HD2 LEU 132 -15.532 -7.560 8.615 1037 H SER 133 H SER 133 -14.716 -11.180 6.915 1038 HA SER 133 HA SER 133 -13.453 -12.842 4.703 1039 HB2 SER 133 1HB SER 133 -15.147 -14.535 5.266 1040 HB3 SER 133 2HB SER 133 -14.263 -14.025 6.706 1041 HG SER 133 HG SER 133 -16.543 -14.144 7.029 1042 HXT SER 133 HXT SER 133 -16.401 -12.140 4.224 Start of MODEL 12 1 H1 MET 1 1H MET 1 1.817 -13.399 5.455 2 H2 MET 1 2H MET 1 0.248 -13.779 5.195 3 HA MET 1 HA MET 1 1.598 -15.699 4.848 4 HB2 MET 1 1HB MET 1 2.565 -15.177 7.735 5 HB3 MET 1 2HB MET 1 2.787 -16.708 6.913 6 HG2 MET 1 1HG MET 1 3.944 -14.016 5.959 7 HG3 MET 1 2HG MET 1 4.822 -15.333 6.744 8 HE1 MET 1 3HE MET 1 5.865 -17.318 5.546 9 HE2 MET 1 1HE MET 1 4.246 -18.074 5.490 10 HE3 MET 1 2HE MET 1 5.257 -18.020 4.020 11 H SER 2 H SER 2 0.051 -15.240 8.038 12 HA SER 2 HA SER 2 -2.285 -16.755 7.102 13 HB2 SER 2 1HB SER 2 -0.601 -18.179 9.265 14 HB3 SER 2 2HB SER 2 -2.296 -18.565 8.936 15 HG SER 2 HG SER 2 -0.610 -18.389 6.708 16 H SER 3 H SER 3 -0.905 -15.819 10.268 17 HA SER 3 HA SER 3 -3.187 -14.348 11.325 18 HB2 SER 3 1HB SER 3 -1.063 -14.718 12.543 19 HB3 SER 3 2HB SER 3 -0.171 -13.705 11.389 20 HG SER 3 HG SER 3 -0.620 -12.394 13.049 21 H PHE 4 H PHE 4 -0.678 -13.157 9.065 22 HA PHE 4 HA PHE 4 -2.300 -10.705 8.415 23 HB2 PHE 4 1HB PHE 4 0.443 -11.526 7.303 24 HB3 PHE 4 2HB PHE 4 -0.352 -9.998 7.051 25 HD1 PHE 4 HD1 PHE 4 -0.956 -8.540 9.218 26 HD2 PHE 4 HD2 PHE 4 1.882 -11.780 9.218 27 HE1 PHE 4 HE1 PHE 4 0.039 -7.683 11.310 28 HE2 PHE 4 HE2 PHE 4 2.895 -10.881 11.279 29 HZ PHE 4 HZ PHE 4 1.951 -8.859 12.346 30 H LEU 5 H LEU 5 -3.550 -13.169 7.518 31 HA LEU 5 HA LEU 5 -3.741 -12.512 4.564 32 HB2 LEU 5 1HB LEU 5 -4.713 -14.937 6.146 33 HB3 LEU 5 2HB LEU 5 -5.232 -14.605 4.508 34 HG LEU 5 HG LEU 5 -2.314 -14.984 5.366 35 HD11 LEU 5 1HD1 LEU 5 -4.194 -16.893 3.780 36 HD12 LEU 5 2HD1 LEU 5 -2.521 -17.236 4.277 37 HD13 LEU 5 3HD1 LEU 5 -3.800 -17.095 5.495 38 HD21 LEU 5 3HD2 LEU 5 -1.840 -15.255 2.891 39 HD22 LEU 5 1HD2 LEU 5 -3.499 -14.730 2.515 40 HD23 LEU 5 2HD2 LEU 5 -2.346 -13.614 3.284 41 H GLY 6 H GLY 6 -5.422 -11.402 3.814 42 HA2 GLY 6 1HA GLY 6 -8.029 -11.567 3.659 43 HA3 GLY 6 2HA GLY 6 -8.065 -11.257 5.384 44 H LYS 7 H LYS 7 -9.527 -9.765 3.850 45 HA LYS 7 HA LYS 7 -8.187 -7.080 3.548 46 HB2 LYS 7 1HB LYS 7 -10.136 -6.160 2.602 47 HB3 LYS 7 2HB LYS 7 -9.832 -7.666 1.802 48 HG2 LYS 7 1HG LYS 7 -11.612 -8.539 3.737 49 HG3 LYS 7 2HG LYS 7 -12.116 -6.857 3.622 50 HD2 LYS 7 1HD LYS 7 -12.618 -7.090 1.201 51 HD3 LYS 7 2HD LYS 7 -11.795 -8.656 1.128 52 HE2 LYS 7 1HE LYS 7 -13.504 -9.575 2.841 53 HE3 LYS 7 2HE LYS 7 -14.415 -8.071 2.691 54 HZ1 LYS 7 3HZ LYS 7 -14.921 -8.623 0.376 55 HZ2 LYS 7 1HZ LYS 7 -13.678 -9.696 0.264 56 HZ3 LYS 7 2HZ LYS 7 -14.991 -10.096 1.150 57 H TRP 8 H TRP 8 -8.750 -5.298 4.830 58 HA TRP 8 HA TRP 8 -10.594 -5.677 7.127 59 HB2 TRP 8 1HB TRP 8 -8.786 -4.861 8.813 60 HB3 TRP 8 2HB TRP 8 -9.015 -6.529 8.418 61 HD1 TRP 8 HD1 TRP 8 -6.528 -3.923 6.660 62 HE1 TRP 8 HE1 TRP 8 -4.485 -5.303 5.905 63 HE3 TRP 8 HE3 TRP 8 -7.800 -8.422 8.756 64 HZ2 TRP 8 HZ2 TRP 8 -3.310 -7.780 6.664 65 HZ3 TRP 8 HZ3 TRP 8 -6.239 -10.325 8.467 66 HH2 TRP 8 HH2 TRP 8 -4.079 -10.012 7.404 67 H LYS 9 H LYS 9 -11.298 -3.843 8.005 68 HA LYS 9 HA LYS 9 -10.474 -1.246 6.691 69 HB2 LYS 9 1HB LYS 9 -12.726 -0.409 6.869 70 HB3 LYS 9 2HB LYS 9 -12.604 -1.759 5.757 71 HG2 LYS 9 1HG LYS 9 -13.642 -3.289 7.461 72 HG3 LYS 9 2HG LYS 9 -13.720 -2.003 8.643 73 HD2 LYS 9 1HD LYS 9 -15.177 -1.990 5.898 74 HD3 LYS 9 2HD LYS 9 -15.863 -2.515 7.411 75 HE2 LYS 9 1HE LYS 9 -16.664 -0.417 7.599 76 HE3 LYS 9 2HE LYS 9 -15.102 -0.074 8.332 77 HZ1 LYS 9 3HZ LYS 9 -14.310 0.856 6.159 78 HZ2 LYS 9 1HZ LYS 9 -15.647 0.321 5.371 79 HZ3 LYS 9 2HZ LYS 9 -15.766 1.536 6.466 80 H LEU 10 H LEU 10 -10.406 0.434 8.030 81 HA LEU 10 HA LEU 10 -9.108 -0.016 10.414 82 HB2 LEU 10 1HB LEU 10 -9.081 2.003 8.780 83 HB3 LEU 10 2HB LEU 10 -10.458 2.641 9.669 84 HG LEU 10 HG LEU 10 -8.934 2.500 11.805 85 HD11 LEU 10 1HD1 LEU 10 -7.105 1.014 10.837 86 HD12 LEU 10 2HD1 LEU 10 -6.711 2.271 9.651 87 HD13 LEU 10 3HD1 LEU 10 -6.483 2.569 11.394 88 HD21 LEU 10 3HD2 LEU 10 -7.824 4.681 11.204 89 HD22 LEU 10 1HD2 LEU 10 -8.165 4.415 9.481 90 HD23 LEU 10 2HD2 LEU 10 -9.501 4.653 10.632 91 H SER 11 H SER 11 -9.582 -0.313 12.450 92 HA SER 11 HA SER 11 -12.447 -0.393 13.393 93 HB2 SER 11 1HB SER 11 -11.053 -2.451 13.666 94 HB3 SER 11 2HB SER 11 -9.983 -1.582 14.767 95 HG SER 11 HG SER 11 -12.042 -1.067 15.947 96 H GLU 12 H GLU 12 -9.444 1.250 14.102 97 HA GLU 12 HA GLU 12 -11.042 3.464 15.147 98 HB2 GLU 12 1HB GLU 12 -9.857 4.030 17.167 99 HB3 GLU 12 2HB GLU 12 -10.684 2.505 17.347 100 HG2 GLU 12 1HG GLU 12 -8.762 1.268 17.652 101 HG3 GLU 12 2HG GLU 12 -7.829 2.166 16.476 102 H SER 13 H SER 13 -10.149 5.380 14.754 103 HA SER 13 HA SER 13 -7.361 5.542 13.486 104 HB2 SER 13 1HB SER 13 -9.119 6.515 12.055 105 HB3 SER 13 2HB SER 13 -9.733 7.523 13.369 106 HG SER 13 HG SER 13 -7.914 8.741 13.311 107 H HIS 14 H HIS 14 -6.176 5.469 15.373 108 HA HIS 14 HA HIS 14 -6.912 7.006 17.786 109 HB2 HIS 14 1HB HIS 14 -5.684 4.781 17.702 110 HB3 HIS 14 2HB HIS 14 -4.219 5.620 17.236 111 HD1 HIS 14 HD1 HIS 14 -3.567 7.784 19.233 112 HD2 HIS 14 HD2 HIS 14 -6.103 4.459 20.280 113 HE1 HIS 14 HE1 HIS 14 -3.554 7.445 21.764 114 HE2 HIS 14 HE2 HIS 14 -5.109 5.508 22.518 115 H ASN 15 H ASN 15 -4.060 7.435 15.687 116 HA ASN 15 HA ASN 15 -4.523 10.410 15.764 117 HB2 ASN 15 1HB ASN 15 -1.776 9.190 16.515 118 HB3 ASN 15 2HB ASN 15 -2.015 10.874 16.101 119 HD21 ASN 15 1HD2 ASN 15 -3.343 12.174 17.545 120 HD22 ASN 15 2HD2 ASN 15 -3.458 11.649 19.303 121 H PHE 16 H PHE 16 -5.020 8.439 13.744 122 HA PHE 16 HA PHE 16 -2.939 8.861 11.655 123 HB2 PHE 16 1HB PHE 16 -4.264 6.752 11.991 124 HB3 PHE 16 2HB PHE 16 -5.724 7.574 11.482 125 HD1 PHE 16 HD1 PHE 16 -2.172 6.962 10.274 126 HD2 PHE 16 HD2 PHE 16 -6.327 7.288 9.190 127 HE1 PHE 16 HE1 PHE 16 -1.634 6.297 7.938 128 HE2 PHE 16 HE2 PHE 16 -5.793 6.553 6.909 129 HZ PHE 16 HZ PHE 16 -3.482 6.029 6.267 130 H ASP 17 H ASP 17 -3.121 11.170 12.030 131 HA ASP 17 HA ASP 17 -4.907 12.656 10.119 132 HB2 ASP 17 1HB ASP 17 -5.331 14.254 12.066 133 HB3 ASP 17 2HB ASP 17 -6.132 12.701 12.090 134 H ALA 18 H ALA 18 -2.461 13.438 12.532 135 HA ALA 18 HA ALA 18 -1.027 15.270 10.556 136 HB1 ALA 18 3HB ALA 18 -1.462 15.955 13.034 137 HB2 ALA 18 1HB ALA 18 -0.300 14.678 13.506 138 HB3 ALA 18 2HB ALA 18 0.240 16.071 12.542 139 H VAL 19 H VAL 19 -0.600 12.142 11.732 140 HA VAL 19 HA VAL 19 2.228 11.647 11.573 141 HB VAL 19 HB VAL 19 0.432 10.132 12.464 142 HG11 VAL 19 1HG1 VAL 19 -0.737 8.516 11.176 143 HG12 VAL 19 2HG1 VAL 19 -1.200 10.138 10.607 144 HG13 VAL 19 3HG1 VAL 19 -0.110 9.117 9.626 145 HG21 VAL 19 3HG2 VAL 19 2.762 9.320 12.183 146 HG22 VAL 19 1HG2 VAL 19 1.579 8.043 11.937 147 HG23 VAL 19 2HG2 VAL 19 2.391 8.763 10.531 148 H MET 20 H MET 20 -0.053 11.677 8.988 149 HA MET 20 HA MET 20 2.099 11.137 6.938 150 HB2 MET 20 1HB MET 20 0.478 10.675 5.301 151 HB3 MET 20 2HB MET 20 0.184 9.722 6.714 152 HG2 MET 20 1HG MET 20 -1.503 12.255 6.142 153 HG3 MET 20 2HG MET 20 -1.863 10.657 5.478 154 HE1 MET 20 3HE MET 20 -3.941 12.341 7.404 155 HE2 MET 20 1HE MET 20 -4.181 10.857 6.434 156 HE3 MET 20 2HE MET 20 -4.597 10.868 8.167 157 H SER 21 H SER 21 -0.096 13.777 7.907 158 HA SER 21 HA SER 21 0.762 15.666 5.834 159 HB2 SER 21 1HB SER 21 -1.319 15.903 7.324 160 HB3 SER 21 2HB SER 21 -0.266 16.257 8.693 161 HG SER 21 HG SER 21 0.612 18.009 7.380 162 H LYS 22 H LYS 22 2.219 14.890 9.031 163 HA LYS 22 HA LYS 22 4.255 16.993 8.852 164 HB2 LYS 22 1HB LYS 22 5.087 16.251 10.792 165 HB3 LYS 22 2HB LYS 22 3.421 15.727 10.929 166 HG2 LYS 22 1HG LYS 22 3.882 13.469 10.863 167 HG3 LYS 22 2HG LYS 22 5.324 13.574 9.902 168 HD2 LYS 22 1HD LYS 22 5.140 14.414 12.866 169 HD3 LYS 22 2HD LYS 22 5.727 12.884 12.229 170 HE2 LYS 22 1HE LYS 22 7.510 14.293 10.868 171 HE3 LYS 22 2HE LYS 22 7.034 15.667 11.875 172 HZ1 LYS 22 3HZ LYS 22 8.029 13.000 12.929 173 HZ2 LYS 22 1HZ LYS 22 8.885 14.408 13.028 174 HZ3 LYS 22 2HZ LYS 22 7.568 14.180 13.944 175 H LEU 23 H LEU 23 4.073 13.986 7.273 176 HA LEU 23 HA LEU 23 6.918 13.941 6.259 177 HB2 LEU 23 1HB LEU 23 5.479 11.824 6.533 178 HB3 LEU 23 2HB LEU 23 4.419 12.435 5.294 179 HG LEU 23 HG LEU 23 6.888 12.680 3.984 180 HD11 LEU 23 1HD1 LEU 23 7.101 10.045 5.581 181 HD12 LEU 23 2HD1 LEU 23 8.270 10.734 4.427 182 HD13 LEU 23 3HD1 LEU 23 8.013 11.497 6.002 183 HD21 LEU 23 3HD2 LEU 23 6.232 10.755 2.672 184 HD22 LEU 23 1HD2 LEU 23 5.153 10.137 3.941 185 HD23 LEU 23 2HD2 LEU 23 4.771 11.653 3.082 186 H GLY 24 H GLY 24 3.651 14.801 5.023 187 HA2 GLY 24 1HA GLY 24 3.712 17.066 3.713 188 HA3 GLY 24 2HA GLY 24 4.978 16.363 2.723 189 H VAL 25 H VAL 25 1.715 15.456 3.786 190 HA VAL 25 HA VAL 25 1.065 14.126 1.257 191 HB VAL 25 HB VAL 25 -0.487 14.811 3.818 192 HG11 VAL 25 1HG1 VAL 25 -2.288 13.259 3.098 193 HG12 VAL 25 2HG1 VAL 25 -2.258 14.679 2.035 194 HG13 VAL 25 3HG1 VAL 25 -1.582 13.152 1.476 195 HG21 VAL 25 3HG2 VAL 25 0.158 12.034 2.601 196 HG22 VAL 25 1HG2 VAL 25 1.394 12.888 3.518 197 HG23 VAL 25 2HG2 VAL 25 -0.164 12.496 4.286 198 H SER 26 H SER 26 -0.375 14.591 -0.313 199 HA SER 26 HA SER 26 -0.628 17.382 -1.228 200 HB2 SER 26 1HB SER 26 -1.995 16.512 -3.059 201 HB3 SER 26 2HB SER 26 -0.638 15.424 -2.799 202 HG SER 26 HG SER 26 -2.002 13.989 -1.644 203 H TRP 27 H TRP 27 -2.506 18.765 -1.306 204 HA TRP 27 HA TRP 27 -4.774 18.128 0.587 205 HB2 TRP 27 1HB TRP 27 -4.175 20.600 -1.127 206 HB3 TRP 27 2HB TRP 27 -5.741 20.366 -0.377 207 HD1 TRP 27 HD1 TRP 27 -2.519 22.009 0.484 208 HE1 TRP 27 HE1 TRP 27 -2.471 22.786 2.987 209 HE3 TRP 27 HE3 TRP 27 -6.439 19.110 2.125 210 HZ2 TRP 27 HZ2 TRP 27 -3.936 22.053 5.318 211 HZ3 TRP 27 HZ3 TRP 27 -7.081 19.234 4.519 212 HH2 TRP 27 HH2 TRP 27 -5.862 20.679 6.081 213 H ALA 28 H ALA 28 -4.677 16.223 -0.855 214 HA ALA 28 HA ALA 28 -7.372 16.079 -2.200 215 HB1 ALA 28 3HB ALA 28 -5.642 16.462 -4.027 216 HB2 ALA 28 1HB ALA 28 -4.782 14.988 -3.529 217 HB3 ALA 28 2HB ALA 28 -6.433 14.897 -4.181 218 H THR 29 H THR 29 -4.512 14.116 -1.137 219 HA THR 29 HA THR 29 -6.430 12.007 -0.084 220 HB THR 29 HB THR 29 -4.753 10.522 0.352 221 HG1 THR 29 HG1 THR 29 -2.572 12.237 -0.337 222 HG21 THR 29 3HG2 THR 29 -3.510 10.170 -1.774 223 HG22 THR 29 1HG2 THR 29 -5.219 10.595 -2.042 224 HG23 THR 29 2HG2 THR 29 -3.973 11.817 -2.299 225 H ARG 30 H ARG 30 -5.104 14.790 1.254 226 HA ARG 30 HA ARG 30 -4.484 13.741 3.954 227 HB2 ARG 30 1HB ARG 30 -3.900 16.177 2.682 228 HB3 ARG 30 2HB ARG 30 -5.266 16.668 3.637 229 HG2 ARG 30 1HG ARG 30 -4.045 15.646 5.702 230 HG3 ARG 30 2HG ARG 30 -2.668 15.310 4.673 231 HD2 ARG 30 1HD ARG 30 -3.876 18.139 5.049 232 HD3 ARG 30 2HD ARG 30 -2.617 17.452 6.080 233 HE ARG 30 HE ARG 30 -1.790 17.316 3.223 234 HH11 ARG 30 1HH1 ARG 30 -2.018 19.533 5.885 235 HH12 ARG 30 2HH1 ARG 30 -0.778 20.656 5.139 236 HH21 ARG 30 1HH2 ARG 30 -0.329 18.515 2.477 237 HH22 ARG 30 2HH2 ARG 30 0.110 20.104 3.280 238 H GLN 31 H GLN 31 -7.249 14.303 2.309 239 HA GLN 31 HA GLN 31 -9.099 14.476 4.697 240 HB2 GLN 31 1HB GLN 31 -10.914 15.033 3.203 241 HB3 GLN 31 2HB GLN 31 -9.624 16.207 3.215 242 HG2 GLN 31 1HG GLN 31 -9.304 14.289 0.918 243 HG3 GLN 31 2HG GLN 31 -10.908 14.951 0.968 244 HE21 GLN 31 1HE2 GLN 31 -7.753 16.497 1.710 245 HE22 GLN 31 2HE2 GLN 31 -7.972 17.729 0.347 246 H ILE 32 H ILE 32 -8.215 12.356 1.925 247 HA ILE 32 HA ILE 32 -10.439 10.396 2.536 248 HB ILE 32 HB ILE 32 -8.350 10.692 0.361 249 HG12 ILE 32 1HG1 ILE 32 -10.373 9.934 -1.063 250 HG13 ILE 32 2HG1 ILE 32 -11.357 9.954 0.369 251 HG21 ILE 32 1HG2 ILE 32 -8.625 8.501 -0.596 252 HG22 ILE 32 2HG2 ILE 32 -7.961 8.272 1.021 253 HG23 ILE 32 3HG2 ILE 32 -9.682 7.938 0.707 254 HD11 ILE 32 3HD1 ILE 32 -11.512 12.020 -1.108 255 HD12 ILE 32 1HD1 ILE 32 -11.078 12.432 0.564 256 HD13 ILE 32 2HD1 ILE 32 -9.825 12.424 -0.701 257 H GLY 33 H GLY 33 -7.027 10.780 3.196 258 HA2 GLY 33 1HA GLY 33 -6.409 8.253 4.568 259 HA3 GLY 33 2HA GLY 33 -5.728 9.803 5.012 260 H ASN 34 H ASN 34 -7.698 11.262 6.144 261 HA ASN 34 HA ASN 34 -8.732 9.573 8.429 262 HB2 ASN 34 1HB ASN 34 -8.895 11.576 9.687 263 HB3 ASN 34 2HB ASN 34 -7.306 11.470 8.956 264 HD21 ASN 34 1HD2 ASN 34 -7.750 13.772 9.915 265 HD22 ASN 34 2HD2 ASN 34 -8.228 14.977 8.603 266 H THR 35 H THR 35 -10.057 9.207 5.989 267 HA THR 35 HA THR 35 -12.894 9.808 6.852 268 HB THR 35 HB THR 35 -11.837 10.575 4.081 269 HG1 THR 35 HG1 THR 35 -11.307 12.180 5.316 270 HG21 THR 35 3HG2 THR 35 -14.669 10.991 5.232 271 HG22 THR 35 1HG2 THR 35 -14.061 11.566 3.662 272 HG23 THR 35 2HG2 THR 35 -14.260 9.827 3.947 273 H VAL 36 H VAL 36 -11.047 8.316 4.103 274 HA VAL 36 HA VAL 36 -13.232 6.232 4.053 275 HB VAL 36 HB VAL 36 -11.194 6.845 1.846 276 HG11 VAL 36 1HG1 VAL 36 -12.738 5.482 0.435 277 HG12 VAL 36 2HG1 VAL 36 -12.327 4.506 1.854 278 HG13 VAL 36 3HG1 VAL 36 -13.905 5.314 1.761 279 HG21 VAL 36 3HG2 VAL 36 -13.375 7.893 0.723 280 HG22 VAL 36 1HG2 VAL 36 -13.960 8.064 2.416 281 HG23 VAL 36 2HG2 VAL 36 -12.479 8.848 1.916 282 H THR 37 H THR 37 -12.658 4.795 5.434 283 HA THR 37 HA THR 37 -10.459 4.011 6.630 284 HB THR 37 HB THR 37 -11.408 1.890 7.226 285 HG1 THR 37 HG1 THR 37 -12.054 1.598 4.867 286 HG21 THR 37 3HG2 THR 37 -13.333 2.657 8.294 287 HG22 THR 37 1HG2 THR 37 -12.724 4.239 7.717 288 HG23 THR 37 2HG2 THR 37 -13.994 3.424 6.826 289 HA PRO 38 HA PRO 38 -7.859 2.536 3.179 290 HB2 PRO 38 1HB PRO 38 -5.461 1.935 4.619 291 HB3 PRO 38 2HB PRO 38 -5.959 3.414 3.789 292 HG2 PRO 38 1HG PRO 38 -6.228 2.761 6.756 293 HG3 PRO 38 2HG PRO 38 -5.825 4.306 5.994 294 HD2 PRO 38 1HD PRO 38 -8.318 3.779 7.002 295 HD3 PRO 38 2HD PRO 38 -8.148 4.768 5.517 296 H THR 39 H THR 39 -8.743 0.814 2.341 297 HA THR 39 HA THR 39 -9.086 -1.758 3.615 298 HB THR 39 HB THR 39 -9.299 -1.083 0.630 299 HG1 THR 39 HG1 THR 39 -10.836 0.136 0.943 300 HG21 THR 39 3HG2 THR 39 -10.974 -2.990 2.398 301 HG22 THR 39 1HG2 THR 39 -11.328 -2.574 0.706 302 HG23 THR 39 2HG2 THR 39 -9.847 -3.461 1.093 303 H VAL 40 H VAL 40 -6.693 -1.886 4.035 304 HA VAL 40 HA VAL 40 -4.885 -2.511 1.782 305 HB VAL 40 HB VAL 40 -3.024 -2.646 3.421 306 HG11 VAL 40 1HG1 VAL 40 -3.566 -0.581 2.158 307 HG12 VAL 40 2HG1 VAL 40 -4.702 -0.059 3.419 308 HG13 VAL 40 3HG1 VAL 40 -2.958 -0.185 3.773 309 HG21 VAL 40 3HG2 VAL 40 -4.204 -3.208 5.576 310 HG22 VAL 40 1HG2 VAL 40 -3.306 -1.688 5.708 311 HG23 VAL 40 2HG2 VAL 40 -5.072 -1.678 5.527 312 H THR 41 H THR 41 -5.692 -4.280 0.975 313 HA THR 41 HA THR 41 -6.452 -6.565 2.597 314 HB THR 41 HB THR 41 -6.766 -5.875 -0.354 315 HG1 THR 41 HG1 THR 41 -7.883 -4.572 0.958 316 HG21 THR 41 3HG2 THR 41 -7.887 -8.319 1.115 317 HG22 THR 41 1HG2 THR 41 -8.668 -7.571 -0.313 318 HG23 THR 41 2HG2 THR 41 -7.034 -8.246 -0.428 319 H PHE 42 H PHE 42 -5.183 -8.123 3.204 320 HA PHE 42 HA PHE 42 -2.487 -8.290 1.822 321 HB2 PHE 42 1HB PHE 42 -3.198 -7.661 4.378 322 HB3 PHE 42 2HB PHE 42 -3.161 -9.381 4.627 323 HD1 PHE 42 HD1 PHE 42 -0.591 -10.116 3.006 324 HD2 PHE 42 HD2 PHE 42 -1.482 -6.865 5.692 325 HE1 PHE 42 HE1 PHE 42 1.768 -10.005 3.709 326 HE2 PHE 42 HE2 PHE 42 0.878 -6.772 6.355 327 HZ PHE 42 HZ PHE 42 2.515 -8.321 5.333 328 H THR 43 H THR 43 -2.445 -9.829 0.401 329 HA THR 43 HA THR 43 -3.563 -12.619 0.968 330 HB THR 43 HB THR 43 -4.482 -12.573 -1.311 331 HG1 THR 43 HG1 THR 43 -3.395 -9.940 -1.420 332 HG21 THR 43 3HG2 THR 43 -5.394 -9.859 -0.219 333 HG22 THR 43 1HG2 THR 43 -6.348 -11.136 -0.999 334 HG23 THR 43 2HG2 THR 43 -5.774 -11.319 0.690 335 H MET 44 H MET 44 -2.450 -14.415 0.167 336 HA MET 44 HA MET 44 0.275 -13.919 -1.033 337 HB2 MET 44 1HB MET 44 0.042 -15.572 0.837 338 HB3 MET 44 2HB MET 44 -0.891 -16.637 -0.228 339 HG2 MET 44 1HG MET 44 1.101 -16.779 -1.796 340 HG3 MET 44 2HG MET 44 2.020 -15.705 -0.740 341 HE1 MET 44 3HE MET 44 3.579 -16.646 1.045 342 HE2 MET 44 1HE MET 44 2.136 -16.327 2.058 343 HE3 MET 44 2HE MET 44 3.035 -17.863 2.234 344 H ASP 45 H ASP 45 0.330 -13.596 -3.152 345 HA ASP 45 HA ASP 45 -1.583 -15.015 -5.058 346 HB2 ASP 45 1HB ASP 45 -1.154 -12.512 -5.181 347 HB3 ASP 45 2HB ASP 45 0.515 -12.829 -5.644 348 H GLY 46 H GLY 46 -0.669 -17.029 -4.472 349 HA2 GLY 46 1HA GLY 46 0.466 -19.021 -5.279 350 HA3 GLY 46 2HA GLY 46 1.346 -18.057 -6.440 351 H ASP 47 H ASP 47 2.906 -16.571 -5.279 352 HA ASP 47 HA ASP 47 4.781 -18.221 -3.534 353 HB2 ASP 47 1HB ASP 47 5.782 -17.693 -5.695 354 HB3 ASP 47 2HB ASP 47 5.246 -16.025 -5.656 355 H LYS 48 H LYS 48 3.623 -14.914 -4.015 356 HA LYS 48 HA LYS 48 4.559 -14.240 -1.193 357 HB2 LYS 48 1HB LYS 48 5.791 -12.427 -2.068 358 HB3 LYS 48 2HB LYS 48 6.244 -13.926 -2.858 359 HG2 LYS 48 1HG LYS 48 4.839 -13.197 -4.879 360 HG3 LYS 48 2HG LYS 48 4.561 -11.645 -4.089 361 HD2 LYS 48 1HD LYS 48 6.856 -10.994 -4.192 362 HD3 LYS 48 2HD LYS 48 7.457 -12.633 -4.298 363 HE2 LYS 48 1HE LYS 48 5.966 -11.248 -6.622 364 HE3 LYS 48 2HE LYS 48 7.716 -11.321 -6.419 365 HZ1 LYS 48 2HZ LYS 48 5.873 -13.504 -7.068 366 HZ3 LYS 48 1HZ LYS 48 7.113 -13.911 -6.121 367 H MET 49 H MET 49 4.108 -11.917 -0.636 368 HA MET 49 HA MET 49 1.116 -12.088 -0.290 369 HB2 MET 49 1HB MET 49 3.251 -10.699 1.423 370 HB3 MET 49 2HB MET 49 1.521 -10.510 1.638 371 HG2 MET 49 1HG MET 49 2.269 -12.180 3.240 372 HG3 MET 49 2HG MET 49 1.233 -12.974 2.055 373 HE1 MET 49 3HE MET 49 5.844 -13.514 2.444 374 HE2 MET 49 1HE MET 49 5.192 -11.915 1.993 375 HE3 MET 49 2HE MET 49 4.812 -12.618 3.595 376 H THR 50 H THR 50 -0.218 -10.505 -0.844 377 HA THR 50 HA THR 50 0.891 -8.033 -2.249 378 HB THR 50 HB THR 50 -1.428 -9.876 -3.147 379 HG1 THR 50 HG1 THR 50 0.679 -10.791 -3.323 380 HG21 THR 50 3HG2 THR 50 -1.626 -7.493 -4.014 381 HG22 THR 50 1HG2 THR 50 0.020 -7.605 -4.658 382 HG23 THR 50 2HG2 THR 50 -1.247 -8.662 -5.304 383 H MET 51 H MET 51 0.090 -6.272 -1.478 384 HA MET 51 HA MET 51 -2.427 -6.173 0.212 385 HB2 MET 51 1HB MET 51 -0.325 -4.037 -0.351 386 HB3 MET 51 2HB MET 51 -1.941 -3.588 0.132 387 HG2 MET 51 1HG MET 51 -1.754 -5.017 2.220 388 HG3 MET 51 2HG MET 51 -0.036 -5.260 1.858 389 HE1 MET 51 3HE MET 51 1.774 -3.527 2.044 390 HE2 MET 51 1HE MET 51 1.187 -2.471 0.731 391 HE3 MET 51 2HE MET 51 1.559 -1.779 2.332 392 H LEU 52 H LEU 52 -4.105 -6.383 -1.089 393 HA LEU 52 HA LEU 52 -4.389 -4.873 -3.681 394 HB2 LEU 52 1HB LEU 52 -6.469 -6.654 -2.292 395 HB3 LEU 52 2HB LEU 52 -6.503 -6.103 -3.943 396 HG LEU 52 HG LEU 52 -4.263 -7.908 -2.799 397 HD11 LEU 52 1HD1 LEU 52 -5.327 -9.840 -3.660 398 HD12 LEU 52 2HD1 LEU 52 -6.519 -9.040 -2.627 399 HD13 LEU 52 3HD1 LEU 52 -6.685 -8.924 -4.396 400 HD21 LEU 52 3HD2 LEU 52 -5.075 -7.288 -5.724 401 HD22 LEU 52 1HD2 LEU 52 -3.607 -6.744 -4.871 402 HD23 LEU 52 2HD2 LEU 52 -3.839 -8.465 -5.214 403 H THR 53 H THR 53 -3.979 -2.963 -2.396 404 HA THR 53 HA THR 53 -5.687 -1.857 -0.394 405 HB THR 53 HB THR 53 -3.606 -0.605 -2.258 406 HG1 THR 53 HG1 THR 53 -2.321 -0.903 -0.498 407 HG21 THR 53 3HG2 THR 53 -4.863 0.565 0.317 408 HG22 THR 53 1HG2 THR 53 -3.369 1.172 -0.464 409 HG23 THR 53 2HG2 THR 53 -4.926 1.281 -1.311 410 H GLU 54 H GLU 54 -7.735 -1.483 -0.733 411 HA GLU 54 HA GLU 54 -8.679 0.050 -3.184 412 HB2 GLU 54 1HB GLU 54 -9.949 -2.153 -1.461 413 HB3 GLU 54 2HB GLU 54 -10.946 -1.144 -2.491 414 HG2 GLU 54 1HG GLU 54 -8.582 -2.855 -3.500 415 HG3 GLU 54 2HG GLU 54 -10.281 -3.298 -3.570 416 H SER 55 H SER 55 -8.083 1.968 -2.173 417 HA SER 55 HA SER 55 -10.200 3.161 -0.289 418 HB2 SER 55 1HB SER 55 -7.256 3.911 -0.889 419 HB3 SER 55 2HB SER 55 -8.346 5.107 -0.208 420 HG SER 55 HG SER 55 -8.727 3.806 1.550 421 H THR 56 H THR 56 -10.837 5.445 -0.855 422 HA THR 56 HA THR 56 -11.745 5.757 -3.534 423 HB THR 56 HB THR 56 -11.425 7.845 -1.318 424 HG1 THR 56 HG1 THR 56 -13.784 6.711 -2.322 425 HG21 THR 56 3HG2 THR 56 -13.252 9.141 -2.435 426 HG22 THR 56 1HG2 THR 56 -11.791 9.163 -3.431 427 HG23 THR 56 2HG2 THR 56 -13.141 8.110 -3.885 428 H PHE 57 H PHE 57 -8.701 7.019 -2.332 429 HA PHE 57 HA PHE 57 -8.077 8.186 -5.094 430 HB2 PHE 57 1HB PHE 57 -7.058 8.848 -2.299 431 HB3 PHE 57 2HB PHE 57 -5.862 8.857 -3.534 432 HD1 PHE 57 HD1 PHE 57 -9.355 10.221 -2.924 433 HD2 PHE 57 HD2 PHE 57 -5.582 10.819 -4.910 434 HE1 PHE 57 HE1 PHE 57 -10.104 12.436 -3.694 435 HE2 PHE 57 HE2 PHE 57 -6.364 12.981 -5.734 436 HZ PHE 57 HZ PHE 57 -8.624 13.813 -5.125 437 H LYS 58 H LYS 58 -6.823 5.884 -2.733 438 HA LYS 58 HA LYS 58 -5.047 4.721 -4.970 439 HB2 LYS 58 1HB LYS 58 -4.738 4.351 -1.932 440 HB3 LYS 58 2HB LYS 58 -3.892 3.412 -3.149 441 HG2 LYS 58 1HG LYS 58 -2.994 5.647 -4.129 442 HG3 LYS 58 2HG LYS 58 -3.578 6.445 -2.675 443 HD2 LYS 58 1HD LYS 58 -1.559 4.097 -2.842 444 HD3 LYS 58 2HD LYS 58 -1.136 5.784 -2.617 445 HE2 LYS 58 1HE LYS 58 -2.328 5.845 -0.388 446 HE3 LYS 58 2HE LYS 58 -2.836 4.163 -0.602 447 HZ1 LYS 58 3HZ LYS 58 0.048 5.068 -0.459 448 HZ2 LYS 58 1HZ LYS 58 -0.705 4.091 0.642 449 HZ3 LYS 58 2HZ LYS 58 -0.352 3.544 -0.887 450 H ASN 59 H ASN 59 -7.164 3.914 -5.771 451 HA ASN 59 HA ASN 59 -7.685 1.134 -4.627 452 HB2 ASN 59 1HB ASN 59 -9.428 0.859 -6.185 453 HB3 ASN 59 2HB ASN 59 -9.620 2.334 -5.298 454 HD21 ASN 59 1HD2 ASN 59 -9.560 1.009 -8.385 455 HD22 ASN 59 2HD2 ASN 59 -9.633 2.617 -9.281 456 H LEU 60 H LEU 60 -5.669 0.259 -4.788 457 HA LEU 60 HA LEU 60 -4.751 -0.637 -7.466 458 HB2 LEU 60 1HB LEU 60 -2.529 0.490 -7.451 459 HB3 LEU 60 2HB LEU 60 -3.890 1.571 -7.565 460 HG LEU 60 HG LEU 60 -3.626 1.812 -4.901 461 HD11 LEU 60 1HD1 LEU 60 -1.735 0.145 -4.588 462 HD12 LEU 60 2HD1 LEU 60 -0.731 1.040 -5.742 463 HD13 LEU 60 3HD1 LEU 60 -1.192 1.773 -4.196 464 HD21 LEU 60 3HD2 LEU 60 -1.695 3.162 -6.928 465 HD22 LEU 60 1HD2 LEU 60 -3.356 3.690 -6.557 466 HD23 LEU 60 2HD2 LEU 60 -2.089 3.782 -5.315 467 H SER 61 H SER 61 -3.259 -2.290 -7.510 468 HA SER 61 HA SER 61 -2.790 -3.682 -4.875 469 HB2 SER 61 1HB SER 61 -2.296 -5.677 -6.272 470 HB3 SER 61 2HB SER 61 -3.873 -4.981 -6.675 471 HG SER 61 HG SER 61 -1.499 -4.288 -8.092 472 H VAL 62 H VAL 62 -0.843 -4.029 -3.969 473 HA VAL 62 HA VAL 62 1.710 -3.650 -5.585 474 HB VAL 62 HB VAL 62 2.799 -2.921 -3.539 475 HG11 VAL 62 1HG1 VAL 62 2.298 -1.360 -5.395 476 HG12 VAL 62 2HG1 VAL 62 0.693 -1.006 -4.713 477 HG13 VAL 62 3HG1 VAL 62 2.170 -0.523 -3.841 478 HG21 VAL 62 3HG2 VAL 62 1.279 -3.441 -1.744 479 HG22 VAL 62 1HG2 VAL 62 1.439 -1.666 -1.809 480 HG23 VAL 62 2HG2 VAL 62 -0.026 -2.453 -2.457 481 H THR 63 H THR 63 3.186 -5.194 -5.392 482 HA THR 63 HA THR 63 2.415 -7.734 -3.854 483 HB THR 63 HB THR 63 3.813 -7.656 -6.589 484 HG1 THR 63 HG1 THR 63 1.514 -7.045 -6.375 485 HG21 THR 63 3HG2 THR 63 4.415 -9.753 -5.556 486 HG22 THR 63 1HG2 THR 63 2.830 -9.956 -4.793 487 HG23 THR 63 2HG2 THR 63 3.002 -10.143 -6.560 488 H PHE 64 H PHE 64 3.928 -8.774 -2.761 489 HA PHE 64 HA PHE 64 6.837 -8.006 -2.789 490 HB2 PHE 64 1HB PHE 64 6.853 -6.977 -0.573 491 HB3 PHE 64 2HB PHE 64 5.851 -6.141 -1.693 492 HD1 PHE 64 HD1 PHE 64 5.525 -8.474 1.269 493 HD2 PHE 64 HD2 PHE 64 3.551 -5.649 -1.315 494 HE1 PHE 64 HE1 PHE 64 3.561 -8.483 2.744 495 HE2 PHE 64 HE2 PHE 64 1.608 -5.657 0.159 496 HZ PHE 64 HZ PHE 64 1.575 -7.097 2.189 497 H LYS 65 H LYS 65 8.242 -9.300 -1.733 498 HA LYS 65 HA LYS 65 7.145 -11.324 0.265 499 HB2 LYS 65 1HB LYS 65 8.636 -12.999 -0.353 500 HB3 LYS 65 2HB LYS 65 7.938 -12.395 -1.814 501 HG2 LYS 65 1HG LYS 65 10.249 -10.905 -1.889 502 HG3 LYS 65 2HG LYS 65 10.827 -12.201 -0.856 503 HD2 LYS 65 1HD LYS 65 9.561 -12.398 -3.660 504 HD3 LYS 65 2HD LYS 65 11.262 -12.580 -3.301 505 HE2 LYS 65 1HE LYS 65 10.976 -14.740 -2.204 506 HE3 LYS 65 2HE LYS 65 9.224 -14.579 -2.079 507 HZ1 LYS 65 3HZ LYS 65 8.859 -15.068 -4.316 508 HZ2 LYS 65 1HZ LYS 65 10.271 -14.364 -4.827 509 HZ3 LYS 65 2HZ LYS 65 10.250 -15.897 -4.160 510 H PHE 66 H PHE 66 8.683 -11.962 2.028 511 HA PHE 66 HA PHE 66 9.799 -9.528 3.265 512 HB2 PHE 66 1HB PHE 66 10.468 -11.047 5.138 513 HB3 PHE 66 2HB PHE 66 8.813 -10.639 4.853 514 HD1 PHE 66 HD1 PHE 66 11.284 -13.473 4.211 515 HD2 PHE 66 HD2 PHE 66 7.173 -12.356 4.861 516 HE1 PHE 66 HE1 PHE 66 10.665 -15.840 4.404 517 HE2 PHE 66 HE2 PHE 66 6.574 -14.726 5.057 518 HZ PHE 66 HZ PHE 66 8.307 -16.481 4.827 519 H GLY 67 H GLY 67 11.116 -9.166 1.534 520 HA2 GLY 67 1HA GLY 67 14.026 -9.359 2.064 521 HA3 GLY 67 2HA GLY 67 13.539 -10.553 0.852 522 H GLU 68 H GLU 68 11.798 -9.358 -0.704 523 HA GLU 68 HA GLU 68 13.396 -7.299 -2.235 524 HB2 GLU 68 1HB GLU 68 10.646 -8.552 -2.865 525 HB3 GLU 68 2HB GLU 68 11.542 -7.481 -3.926 526 HG2 GLU 68 1HG GLU 68 12.544 -10.272 -3.052 527 HG3 GLU 68 2HG GLU 68 11.680 -9.909 -4.542 528 H GLU 69 H GLU 69 13.099 -5.104 -1.861 529 HA GLU 69 HA GLU 69 10.779 -4.176 -0.250 530 HB2 GLU 69 1HB GLU 69 11.812 -2.204 0.108 531 HB3 GLU 69 2HB GLU 69 13.070 -3.413 0.173 532 HG2 GLU 69 1HG GLU 69 12.560 -1.357 -2.046 533 HG3 GLU 69 2HG GLU 69 13.791 -1.271 -0.806 534 H PHE 70 H PHE 70 8.904 -3.645 -1.066 535 HA PHE 70 HA PHE 70 8.490 -3.563 -4.002 536 HB2 PHE 70 1HB PHE 70 6.184 -3.637 -3.709 537 HB3 PHE 70 2HB PHE 70 6.987 -4.810 -2.733 538 HD1 PHE 70 HD1 PHE 70 6.950 -4.522 -0.159 539 HD2 PHE 70 HD2 PHE 70 4.839 -1.783 -2.721 540 HE1 PHE 70 HE1 PHE 70 5.559 -3.820 1.728 541 HE2 PHE 70 HE2 PHE 70 3.497 -1.034 -0.798 542 HZ PHE 70 HZ PHE 70 3.849 -2.056 1.437 543 H ASP 71 H ASP 71 7.840 -1.762 -5.296 544 HA ASP 71 HA ASP 71 7.903 0.927 -3.977 545 HB2 ASP 71 1HB ASP 71 7.996 2.033 -5.950 546 HB3 ASP 71 2HB ASP 71 9.151 0.730 -6.037 547 H GLU 72 H GLU 72 6.302 2.384 -3.980 548 HA GLU 72 HA GLU 72 3.455 1.448 -4.582 549 HB2 GLU 72 1HB GLU 72 3.504 0.981 -2.342 550 HB3 GLU 72 2HB GLU 72 4.636 2.227 -1.916 551 HG2 GLU 72 1HG GLU 72 2.671 2.772 -0.845 552 HG3 GLU 72 2HG GLU 72 2.932 3.990 -2.066 553 H LYS 73 H LYS 73 2.979 2.661 -6.182 554 HA LYS 73 HA LYS 73 4.001 5.520 -6.445 555 HB2 LYS 73 1HB LYS 73 4.242 3.857 -8.370 556 HB3 LYS 73 2HB LYS 73 2.514 3.740 -8.486 557 HG2 LYS 73 1HG LYS 73 3.279 6.628 -8.597 558 HG3 LYS 73 2HG LYS 73 4.356 5.721 -9.623 559 HD2 LYS 73 1HD LYS 73 2.576 6.459 -10.994 560 HD3 LYS 73 2HD LYS 73 2.409 4.710 -10.862 561 HE2 LYS 73 1HE LYS 73 0.566 4.994 -9.132 562 HE3 LYS 73 2HE LYS 73 0.781 6.742 -9.147 563 HZ1 LYS 73 3HZ LYS 73 -1.051 6.039 -10.696 564 HZ2 LYS 73 1HZ LYS 73 0.159 6.720 -11.579 565 HZ3 LYS 73 2HZ LYS 73 -0.020 5.090 -11.556 566 H THR 74 H THR 74 2.780 6.966 -5.424 567 HA THR 74 HA THR 74 0.088 6.128 -4.596 568 HB THR 74 HB THR 74 0.286 7.960 -2.941 569 HG1 THR 74 HG1 THR 74 2.880 8.436 -3.930 570 HG21 THR 74 3HG2 THR 74 2.350 7.156 -1.745 571 HG22 THR 74 1HG2 THR 74 1.422 5.777 -2.410 572 HG23 THR 74 2HG2 THR 74 2.896 6.318 -3.218 573 H SER 75 H SER 75 -1.832 7.104 -4.871 574 HA SER 75 HA SER 75 -2.405 9.064 -6.961 575 HB2 SER 75 1HB SER 75 -3.843 7.184 -6.066 576 HB3 SER 75 2HB SER 75 -4.111 8.127 -4.596 577 HG SER 75 HG SER 75 -5.672 8.237 -6.396 578 H ASP 76 H ASP 76 -1.428 9.581 -3.639 579 HA ASP 76 HA ASP 76 -1.944 12.406 -3.393 580 HB2 ASP 76 1HB ASP 76 -1.166 10.475 -1.707 581 HB3 ASP 76 2HB ASP 76 0.445 10.754 -2.347 582 H GLY 77 H GLY 77 0.460 10.619 -5.216 583 HA2 GLY 77 1HA GLY 77 1.703 11.618 -7.078 584 HA3 GLY 77 2HA GLY 77 1.674 13.184 -6.302 585 H ARG 78 H ARG 78 2.958 9.889 -5.615 586 HA ARG 78 HA ARG 78 5.755 10.781 -5.509 587 HB2 ARG 78 1HB ARG 78 6.240 10.301 -3.083 588 HB3 ARG 78 2HB ARG 78 5.452 11.822 -3.447 589 HG2 ARG 78 1HG ARG 78 3.234 10.897 -2.727 590 HG3 ARG 78 2HG ARG 78 3.986 9.366 -2.281 591 HD2 ARG 78 1HD ARG 78 5.288 10.390 -0.459 592 HD3 ARG 78 2HD ARG 78 4.954 12.018 -1.044 593 HE ARG 78 HE ARG 78 2.510 11.781 -0.471 594 HH11 ARG 78 1HH1 ARG 78 4.501 9.201 1.072 595 HH12 ARG 78 2HH1 ARG 78 2.989 8.663 1.894 596 HH21 ARG 78 1HH2 ARG 78 1.046 11.127 0.496 597 HH22 ARG 78 2HH2 ARG 78 1.127 9.681 1.653 598 H ASN 79 H ASN 79 6.836 9.066 -6.145 599 HA ASN 79 HA ASN 79 5.851 6.262 -5.715 600 HB2 ASN 79 1HB ASN 79 6.948 6.931 -7.902 601 HB3 ASN 79 2HB ASN 79 8.466 7.152 -7.050 602 HD21 ASN 79 1HD2 ASN 79 6.162 4.782 -8.187 603 HD22 ASN 79 2HD2 ASN 79 7.219 3.318 -7.843 604 H VAL 80 H VAL 80 6.272 5.231 -3.923 605 HA VAL 80 HA VAL 80 8.680 5.997 -2.168 606 HB VAL 80 HB VAL 80 7.493 5.647 -0.184 607 HG11 VAL 80 1HG1 VAL 80 6.902 7.893 -1.121 608 HG12 VAL 80 2HG1 VAL 80 5.494 7.216 -1.962 609 HG13 VAL 80 3HG1 VAL 80 5.534 7.231 -0.200 610 HG21 VAL 80 3HG2 VAL 80 5.007 4.618 -1.675 611 HG22 VAL 80 1HG2 VAL 80 6.095 3.637 -0.670 612 HG23 VAL 80 2HG2 VAL 80 5.123 4.908 0.081 613 H LYS 81 H LYS 81 9.283 4.180 -0.772 614 HA LYS 81 HA LYS 81 8.646 1.470 -1.950 615 HB2 LYS 81 1HB LYS 81 11.408 2.731 -1.761 616 HB3 LYS 81 2HB LYS 81 11.335 1.106 -1.112 617 HG2 LYS 81 1HG LYS 81 10.290 0.228 -3.183 618 HG3 LYS 81 2HG LYS 81 10.248 1.833 -3.916 619 HD2 LYS 81 1HD LYS 81 12.654 1.972 -4.092 620 HD3 LYS 81 2HD LYS 81 12.916 0.660 -2.945 621 HE2 LYS 81 1HE LYS 81 11.637 -0.919 -4.647 622 HE3 LYS 81 2HE LYS 81 11.747 0.403 -5.814 623 HZ1 LYS 81 3HZ LYS 81 13.711 -1.122 -6.015 624 HZ2 LYS 81 1HZ LYS 81 14.304 0.291 -5.380 625 HZ3 LYS 81 2HZ LYS 81 14.061 -1.038 -4.403 626 H SER 82 H SER 82 9.265 -0.327 -0.484 627 HA SER 82 HA SER 82 8.997 0.347 2.453 628 HB2 SER 82 1HB SER 82 6.851 -1.059 0.777 629 HB3 SER 82 2HB SER 82 6.884 -1.157 2.549 630 HG SER 82 HG SER 82 7.145 1.367 1.354 631 H VAL 83 H VAL 83 10.460 -0.902 3.436 632 HA VAL 83 HA VAL 83 11.417 -3.433 2.098 633 HB VAL 83 HB VAL 83 12.991 -1.712 2.644 634 HG11 VAL 83 1HG1 VAL 83 12.544 -2.242 5.634 635 HG12 VAL 83 2HG1 VAL 83 13.935 -1.389 4.921 636 HG13 VAL 83 3HG1 VAL 83 12.314 -0.727 4.712 637 HG21 VAL 83 3HG2 VAL 83 13.761 -4.067 2.385 638 HG22 VAL 83 1HG2 VAL 83 14.754 -3.203 3.579 639 HG23 VAL 83 2HG2 VAL 83 13.521 -4.362 4.121 640 H VAL 84 H VAL 84 10.575 -5.302 2.599 641 HA VAL 84 HA VAL 84 8.769 -5.520 4.988 642 HB VAL 84 HB VAL 84 9.188 -7.497 2.670 643 HG11 VAL 84 1HG1 VAL 84 7.932 -8.318 4.847 644 HG12 VAL 84 2HG1 VAL 84 6.687 -7.121 4.478 645 HG13 VAL 84 3HG1 VAL 84 7.007 -8.448 3.332 646 HG21 VAL 84 3HG2 VAL 84 7.118 -6.575 1.639 647 HG22 VAL 84 1HG2 VAL 84 7.103 -5.233 2.806 648 HG23 VAL 84 2HG2 VAL 84 8.420 -5.391 1.636 649 H GLU 85 H GLU 85 9.355 -6.454 6.767 650 HA GLU 85 HA GLU 85 11.068 -8.979 6.758 651 HB2 GLU 85 1HB GLU 85 12.618 -7.176 7.297 652 HB3 GLU 85 2HB GLU 85 11.557 -6.502 8.507 653 HG2 GLU 85 1HG GLU 85 11.840 -8.730 9.864 654 HG3 GLU 85 2HG GLU 85 13.052 -9.208 8.672 655 H LYS 86 H LYS 86 9.629 -10.405 7.390 656 HA LYS 86 HA LYS 86 7.448 -9.797 9.378 657 HB2 LYS 86 1HB LYS 86 6.986 -11.137 7.295 658 HB3 LYS 86 2HB LYS 86 8.077 -12.387 7.839 659 HG2 LYS 86 1HG LYS 86 6.025 -11.775 9.968 660 HG3 LYS 86 2HG LYS 86 5.268 -11.941 8.417 661 HD2 LYS 86 1HD LYS 86 5.135 -14.074 8.911 662 HD3 LYS 86 2HD LYS 86 6.721 -14.215 8.197 663 HE2 LYS 86 1HE LYS 86 6.107 -13.886 11.226 664 HE3 LYS 86 2HE LYS 86 6.217 -15.427 10.424 665 HZ1 LYS 86 3HZ LYS 86 8.573 -15.187 10.099 666 HZ2 LYS 86 1HZ LYS 86 8.580 -13.549 10.256 667 HZ3 LYS 86 2HZ LYS 86 8.376 -14.467 11.581 668 H ASN 87 H ASN 87 7.864 -10.026 11.498 669 HA ASN 87 HA ASN 87 10.383 -11.598 12.343 670 HB2 ASN 87 1HB ASN 87 10.420 -9.199 12.878 671 HB3 ASN 87 2HB ASN 87 8.940 -9.292 13.795 672 HD21 ASN 87 1HD2 ASN 87 9.076 -10.848 15.761 673 HD22 ASN 87 2HD2 ASN 87 10.714 -10.813 16.584 674 H SER 88 H SER 88 7.211 -10.807 13.685 675 HA SER 88 HA SER 88 6.732 -13.765 14.360 676 HB2 SER 88 1HB SER 88 5.762 -11.295 15.971 677 HB3 SER 88 2HB SER 88 5.266 -12.968 16.264 678 HG SER 88 HG SER 88 6.953 -12.532 17.619 679 H GLU 89 H GLU 89 4.444 -14.346 14.228 680 HA GLU 89 HA GLU 89 2.744 -13.083 12.177 681 HB2 GLU 89 1HB GLU 89 2.545 -15.336 14.241 682 HB3 GLU 89 2HB GLU 89 1.056 -14.702 13.652 683 HG2 GLU 89 1HG GLU 89 1.830 -16.684 12.377 684 HG3 GLU 89 2HG GLU 89 1.482 -15.304 11.359 685 H SER 90 H SER 90 3.503 -11.807 14.881 686 HA SER 90 HA SER 90 1.382 -9.788 14.628 687 HB2 SER 90 1HB SER 90 0.579 -11.071 16.639 688 HB3 SER 90 2HB SER 90 2.125 -10.802 17.459 689 HG SER 90 HG SER 90 0.031 -9.276 17.632 690 H LYS 91 H LYS 91 4.199 -9.925 13.696 691 HA LYS 91 HA LYS 91 4.620 -7.098 14.284 692 HB2 LYS 91 1HB LYS 91 5.797 -8.458 16.300 693 HB3 LYS 91 2HB LYS 91 6.952 -8.980 15.127 694 HG2 LYS 91 1HG LYS 91 7.995 -7.175 16.188 695 HG3 LYS 91 2HG LYS 91 7.510 -6.497 14.655 696 HD2 LYS 91 1HD LYS 91 7.105 -4.889 16.363 697 HD3 LYS 91 2HD LYS 91 5.560 -5.340 15.717 698 HE2 LYS 91 1HE LYS 91 6.554 -6.811 18.242 699 HE3 LYS 91 2HE LYS 91 6.161 -5.105 18.398 700 HZ1 LYS 91 3HZ LYS 91 3.878 -5.425 17.852 701 HZ2 LYS 91 1HZ LYS 91 4.095 -6.943 17.163 702 HZ3 LYS 91 2HZ LYS 91 4.201 -6.732 18.790 703 H LEU 92 H LEU 92 4.553 -6.875 12.057 704 HA LEU 92 HA LEU 92 6.914 -7.902 10.405 705 HB2 LEU 92 1HB LEU 92 4.658 -8.852 10.108 706 HB3 LEU 92 2HB LEU 92 3.944 -7.304 9.754 707 HG LEU 92 HG LEU 92 6.156 -8.627 8.093 708 HD11 LEU 92 1HD1 LEU 92 3.087 -8.661 7.644 709 HD12 LEU 92 2HD1 LEU 92 4.302 -9.396 6.563 710 HD13 LEU 92 3HD1 LEU 92 4.051 -10.039 8.191 711 HD21 LEU 92 3HD2 LEU 92 5.184 -7.146 6.198 712 HD22 LEU 92 1HD2 LEU 92 4.351 -6.202 7.448 713 HD23 LEU 92 2HD2 LEU 92 6.122 -6.302 7.424 714 H THR 93 H THR 93 8.313 -6.296 9.676 715 HA THR 93 HA THR 93 7.461 -3.432 10.415 716 HB THR 93 HB THR 93 9.075 -4.478 11.859 717 HG1 THR 93 HG1 THR 93 10.493 -2.436 10.660 718 HG21 THR 93 3HG2 THR 93 11.414 -4.765 11.349 719 HG22 THR 93 1HG2 THR 93 10.479 -5.700 10.163 720 HG23 THR 93 2HG2 THR 93 11.236 -4.171 9.680 721 H GLN 94 H GLN 94 6.545 -3.527 8.419 722 HA GLN 94 HA GLN 94 7.903 -3.633 5.888 723 HB2 GLN 94 1HB GLN 94 5.571 -4.231 6.472 724 HB3 GLN 94 2HB GLN 94 5.108 -2.540 6.619 725 HG2 GLN 94 1HG GLN 94 5.239 -2.172 4.240 726 HG3 GLN 94 2HG GLN 94 6.250 -3.562 3.957 727 HE21 GLN 94 1HE2 GLN 94 5.238 -5.571 3.717 728 HE22 GLN 94 2HE2 GLN 94 3.420 -5.692 3.562 729 H THR 95 H THR 95 9.248 -1.909 7.015 730 HA THR 95 HA THR 95 8.848 0.673 7.379 731 HB THR 95 HB THR 95 11.681 -0.132 6.611 732 HG1 THR 95 HG1 THR 95 10.806 -1.629 8.002 733 HG21 THR 95 3HG2 THR 95 10.440 2.052 8.411 734 HG22 THR 95 1HG2 THR 95 12.085 1.460 8.642 735 HG23 THR 95 2HG2 THR 95 11.618 2.250 7.125 736 H GLN 96 H GLN 96 8.383 2.504 6.319 737 HA GLN 96 HA GLN 96 8.246 2.309 3.366 738 HB2 GLN 96 1HB GLN 96 6.813 3.835 5.526 739 HB3 GLN 96 2HB GLN 96 7.162 4.818 4.126 740 HG2 GLN 96 1HG GLN 96 6.072 3.129 2.612 741 HG3 GLN 96 2HG GLN 96 5.661 2.153 4.019 742 HE21 GLN 96 1HE2 GLN 96 5.394 5.660 3.102 743 HE22 GLN 96 2HE2 GLN 96 3.648 5.708 3.655 744 H VAL 97 H VAL 97 9.626 3.180 2.017 745 HA VAL 97 HA VAL 97 11.656 5.277 2.957 746 HB VAL 97 HB VAL 97 11.749 3.154 0.719 747 HG11 VAL 97 1HG1 VAL 97 13.018 5.207 -0.025 748 HG12 VAL 97 2HG1 VAL 97 13.778 5.315 1.578 749 HG13 VAL 97 3HG1 VAL 97 14.182 3.965 0.476 750 HG21 VAL 97 3HG2 VAL 97 12.168 2.164 2.984 751 HG22 VAL 97 1HG2 VAL 97 13.709 2.284 2.127 752 HG23 VAL 97 2HG2 VAL 97 13.296 3.469 3.400 753 H ASP 98 H ASP 98 10.007 6.846 2.841 754 HA ASP 98 HA ASP 98 8.765 7.635 0.277 755 HB2 ASP 98 1HB ASP 98 8.878 8.665 3.200 756 HB3 ASP 98 2HB ASP 98 8.199 9.683 1.981 757 HA PRO 99 HA PRO 99 11.919 10.894 -0.794 758 HB2 PRO 99 1HB PRO 99 10.367 13.092 -1.569 759 HB3 PRO 99 2HB PRO 99 10.591 11.624 -2.543 760 HG2 PRO 99 1HG PRO 99 8.255 12.221 -0.618 761 HG3 PRO 99 2HG PRO 99 8.144 11.749 -2.335 762 HD2 PRO 99 1HD PRO 99 7.904 9.865 -0.346 763 HD3 PRO 99 2HD PRO 99 8.811 9.449 -1.834 764 H LYS 100 H LYS 100 9.991 11.126 1.860 765 HA LYS 100 HA LYS 100 11.914 13.129 3.133 766 HB2 LYS 100 1HB LYS 100 9.011 13.383 3.182 767 HB3 LYS 100 2HB LYS 100 9.423 12.782 4.749 768 HG2 LYS 100 1HG LYS 100 10.688 15.277 3.453 769 HG3 LYS 100 2HG LYS 100 9.266 15.276 4.491 770 HD2 LYS 100 1HD LYS 100 10.619 14.191 6.358 771 HD3 LYS 100 2HD LYS 100 12.070 14.301 5.394 772 HE2 LYS 100 1HE LYS 100 10.333 16.732 6.259 773 HE3 LYS 100 2HE LYS 100 11.727 16.134 7.157 774 HZ1 LYS 100 3HZ LYS 100 12.420 17.969 5.618 775 HZ2 LYS 100 1HZ LYS 100 13.153 16.570 5.151 776 HZ3 LYS 100 2HZ LYS 100 11.870 17.136 4.309 777 H ASN 101 H ASN 101 11.294 9.884 2.966 778 HA ASN 101 HA ASN 101 11.586 8.022 4.260 779 HB2 ASN 101 1HB ASN 101 13.343 9.744 6.098 780 HB3 ASN 101 2HB ASN 101 13.176 8.007 6.185 781 HD21 ASN 101 1HD2 ASN 101 14.615 10.563 4.361 782 HD22 ASN 101 2HD2 ASN 101 15.551 9.419 3.260 783 H THR 102 H THR 102 10.177 6.906 5.357 784 HA THR 102 HA THR 102 8.593 8.179 7.657 785 HB THR 102 HB THR 102 7.951 5.725 5.965 786 HG1 THR 102 HG1 THR 102 7.091 7.202 4.571 787 HG21 THR 102 3HG2 THR 102 6.046 7.346 7.767 788 HG22 THR 102 1HG2 THR 102 5.703 5.817 6.934 789 HG23 THR 102 2HG2 THR 102 6.833 5.853 8.309 790 H THR 103 H THR 103 8.695 7.224 9.666 791 HA THR 103 HA THR 103 11.015 5.455 10.218 792 HB THR 103 HB THR 103 8.943 6.750 12.017 793 HG1 THR 103 HG1 THR 103 11.633 7.404 11.375 794 HG21 THR 103 3HG2 THR 103 11.691 5.575 12.826 795 HG22 THR 103 1HG2 THR 103 10.572 6.494 13.863 796 HG23 THR 103 2HG2 THR 103 10.107 4.900 13.255 797 H VAL 104 H VAL 104 10.805 3.494 11.506 798 HA VAL 104 HA VAL 104 9.583 1.432 10.186 799 HB VAL 104 HB VAL 104 9.812 -0.045 12.125 800 HG11 VAL 104 1HG1 VAL 104 12.297 0.035 12.217 801 HG12 VAL 104 2HG1 VAL 104 11.698 0.261 10.575 802 HG13 VAL 104 3HG1 VAL 104 12.303 1.658 11.491 803 HG21 VAL 104 3HG2 VAL 104 10.997 0.665 14.192 804 HG22 VAL 104 1HG2 VAL 104 10.942 2.373 13.701 805 HG23 VAL 104 2HG2 VAL 104 9.448 1.508 14.100 806 H ILE 105 H ILE 105 7.447 1.382 9.549 807 HA ILE 105 HA ILE 105 5.262 1.560 11.573 808 HB ILE 105 HB ILE 105 3.742 1.474 9.801 809 HG12 ILE 105 1HG1 ILE 105 4.639 -0.008 8.082 810 HG13 ILE 105 2HG1 ILE 105 4.228 1.569 7.427 811 HG21 ILE 105 1HG2 ILE 105 4.198 3.622 8.750 812 HG22 ILE 105 2HG2 ILE 105 4.930 3.689 10.389 813 HG23 ILE 105 3HG2 ILE 105 5.938 3.488 8.987 814 HD11 ILE 105 3HD1 ILE 105 6.859 0.224 7.784 815 HD12 ILE 105 1HD1 ILE 105 6.229 1.126 6.371 816 HD13 ILE 105 2HD1 ILE 105 6.897 1.998 7.770 817 H VAL 106 H VAL 106 6.325 -0.214 12.591 818 HA VAL 106 HA VAL 106 6.053 -2.928 11.991 819 HB VAL 106 HB VAL 106 5.645 -3.492 14.398 820 HG11 VAL 106 1HG1 VAL 106 7.947 -3.329 13.493 821 HG12 VAL 106 2HG1 VAL 106 8.000 -1.583 13.808 822 HG13 VAL 106 3HG1 VAL 106 7.903 -2.732 15.160 823 HG21 VAL 106 3HG2 VAL 106 5.979 -0.494 15.045 824 HG22 VAL 106 1HG2 VAL 106 4.413 -1.303 14.974 825 HG23 VAL 106 2HG2 VAL 106 5.628 -1.848 16.158 826 H ARG 107 H ARG 107 4.560 -4.018 11.150 827 HA ARG 107 HA ARG 107 1.607 -3.445 11.479 828 HB2 ARG 107 1HB ARG 107 3.022 -5.407 9.591 829 HB3 ARG 107 2HB ARG 107 1.307 -5.073 9.657 830 HG2 ARG 107 1HG ARG 107 2.089 -2.499 9.258 831 HG3 ARG 107 2HG ARG 107 3.611 -3.211 8.833 832 HD2 ARG 107 1HD ARG 107 2.413 -2.827 6.801 833 HD3 ARG 107 2HD ARG 107 2.476 -4.589 7.012 834 HE ARG 107 HE ARG 107 0.006 -3.611 8.240 835 HH11 ARG 107 1HH1 ARG 107 1.356 -3.864 5.017 836 HH12 ARG 107 2HH1 ARG 107 -0.287 -4.234 4.309 837 HH21 ARG 107 1HH2 ARG 107 -1.837 -4.007 7.372 838 HH22 ARG 107 2HH2 ARG 107 -1.993 -4.238 5.573 839 H GLU 108 H GLU 108 0.785 -4.324 13.257 840 HA GLU 108 HA GLU 108 1.821 -6.985 14.323 841 HB2 GLU 108 1HB GLU 108 0.427 -4.781 15.899 842 HB3 GLU 108 2HB GLU 108 1.446 -6.054 16.522 843 HG2 GLU 108 1HG GLU 108 3.468 -4.843 15.483 844 HG3 GLU 108 2HG GLU 108 2.391 -3.614 14.879 845 H VAL 109 H VAL 109 0.066 -7.783 16.117 846 HA VAL 109 HA VAL 109 -2.744 -7.046 15.593 847 HB VAL 109 HB VAL 109 -2.545 -8.777 13.893 848 HG11 VAL 109 1HG1 VAL 109 -2.364 -11.189 14.376 849 HG12 VAL 109 2HG1 VAL 109 -0.898 -10.319 14.867 850 HG13 VAL 109 3HG1 VAL 109 -2.054 -10.877 16.098 851 HG21 VAL 109 3HG2 VAL 109 -4.481 -9.629 16.119 852 HG22 VAL 109 1HG2 VAL 109 -4.773 -8.419 14.850 853 HG23 VAL 109 2HG2 VAL 109 -4.558 -10.117 14.415 854 H ASP 110 H ASP 110 -3.806 -6.923 17.449 855 HA ASP 110 HA ASP 110 -2.792 -8.473 19.883 856 HB2 ASP 110 1HB ASP 110 -4.063 -5.720 19.478 857 HB3 ASP 110 2HB ASP 110 -4.410 -6.524 20.960 858 H GLY 111 H GLY 111 -4.129 -10.065 18.279 859 HA2 GLY 111 1HA GLY 111 -5.782 -11.857 18.651 860 HA3 GLY 111 2HA GLY 111 -6.453 -10.950 19.987 861 H ASP 112 H ASP 112 -6.352 -11.189 16.515 862 HA ASP 112 HA ASP 112 -7.406 -10.014 14.821 863 HB2 ASP 112 1HB ASP 112 -9.362 -11.714 16.183 864 HB3 ASP 112 2HB ASP 112 -10.205 -10.377 15.446 865 H THR 113 H THR 113 -6.432 -8.210 15.977 866 HA THR 113 HA THR 113 -8.043 -5.908 15.159 867 HB THR 113 HB THR 113 -8.776 -5.937 17.398 868 HG1 THR 113 HG1 THR 113 -7.065 -3.708 17.218 869 HG21 THR 113 3HG2 THR 113 -7.464 -5.206 19.329 870 HG22 THR 113 1HG2 THR 113 -6.911 -6.787 18.760 871 HG23 THR 113 2HG2 THR 113 -5.935 -5.346 18.442 872 H MET 114 H MET 114 -6.596 -6.118 13.555 873 HA MET 114 HA MET 114 -3.774 -6.491 13.850 874 HB2 MET 114 1HB MET 114 -5.113 -5.584 11.252 875 HB3 MET 114 2HB MET 114 -3.470 -6.146 11.450 876 HG2 MET 114 1HG MET 114 -4.729 -7.987 10.615 877 HG3 MET 114 2HG MET 114 -4.372 -8.391 12.298 878 HE1 MET 114 3HE MET 114 -7.871 -9.944 12.156 879 HE2 MET 114 1HE MET 114 -6.542 -10.040 10.964 880 HE3 MET 114 2HE MET 114 -6.187 -10.089 12.713 881 H LYS 115 H LYS 115 -3.017 -4.940 15.200 882 HA LYS 115 HA LYS 115 -3.282 -2.080 14.671 883 HB2 LYS 115 1HB LYS 115 -2.503 -1.613 16.691 884 HB3 LYS 115 2HB LYS 115 -3.449 -3.074 16.836 885 HG2 LYS 115 1HG LYS 115 -1.326 -4.434 17.036 886 HG3 LYS 115 2HG LYS 115 -0.366 -2.941 16.874 887 HD2 LYS 115 1HD LYS 115 -1.665 -2.035 18.925 888 HD3 LYS 115 2HD LYS 115 -2.343 -3.655 19.099 889 HE2 LYS 115 1HE LYS 115 0.092 -4.591 19.144 890 HE3 LYS 115 2HE LYS 115 0.701 -2.932 19.127 891 HZ1 LYS 115 3HZ LYS 115 -0.660 -2.590 21.284 892 HZ2 LYS 115 1HZ LYS 115 -1.187 -4.165 21.178 893 HZ3 LYS 115 2HZ LYS 115 0.409 -3.854 21.475 894 H THR 116 H THR 116 -2.351 -1.335 12.953 895 HA THR 116 HA THR 116 0.626 -1.857 12.421 896 HB THR 116 HB THR 116 -0.311 -2.479 10.534 897 HG1 THR 116 HG1 THR 116 0.629 0.178 10.265 898 HG21 THR 116 3HG2 THR 116 -1.736 0.220 10.042 899 HG22 THR 116 1HG2 THR 116 -1.690 -1.188 8.970 900 HG23 THR 116 2HG2 THR 116 -2.579 -1.276 10.504 901 H THR 117 H THR 117 1.363 -0.757 13.977 902 HA THR 117 HA THR 117 0.561 1.879 14.795 903 HB THR 117 HB THR 117 3.055 0.227 15.494 904 HG1 THR 117 HG1 THR 117 1.772 -1.023 16.631 905 HG21 THR 117 3HG2 THR 117 2.910 1.354 17.733 906 HG22 THR 117 1HG2 THR 117 3.277 2.502 16.429 907 HG23 THR 117 2HG2 THR 117 1.635 2.434 17.116 908 H VAL 118 H VAL 118 0.747 3.467 13.247 909 HA VAL 118 HA VAL 118 3.272 3.601 11.672 910 HB VAL 118 HB VAL 118 1.391 3.605 10.433 911 HG11 VAL 118 1HG1 VAL 118 -0.391 4.719 11.817 912 HG12 VAL 118 2HG1 VAL 118 0.401 6.285 11.546 913 HG13 VAL 118 3HG1 VAL 118 -0.279 5.406 10.183 914 HG21 VAL 118 3HG2 VAL 118 2.236 6.542 10.047 915 HG22 VAL 118 1HG2 VAL 118 3.446 5.312 9.858 916 HG23 VAL 118 2HG2 VAL 118 1.991 5.279 8.827 917 H THR 119 H THR 119 4.955 4.416 12.774 918 HA THR 119 HA THR 119 4.656 7.210 13.963 919 HB THR 119 HB THR 119 5.416 5.610 15.577 920 HG1 THR 119 HG1 THR 119 7.453 6.556 16.061 921 HG21 THR 119 3HG2 THR 119 6.495 3.828 14.215 922 HG22 THR 119 1HG2 THR 119 7.801 4.924 13.748 923 HG23 THR 119 2HG2 THR 119 7.604 4.422 15.457 924 H VAL 120 H VAL 120 6.100 8.799 13.525 925 HA VAL 120 HA VAL 120 8.067 8.512 11.180 926 HB VAL 120 HB VAL 120 6.103 10.856 11.178 927 HG11 VAL 120 1HG1 VAL 120 8.207 11.168 9.891 928 HG12 VAL 120 2HG1 VAL 120 7.986 9.623 9.065 929 HG13 VAL 120 3HG1 VAL 120 6.867 10.945 8.746 930 HG21 VAL 120 3HG2 VAL 120 5.718 8.123 9.868 931 HG22 VAL 120 1HG2 VAL 120 4.657 8.992 10.997 932 HG23 VAL 120 2HG2 VAL 120 4.838 9.613 9.333 933 H GLY 121 H GLY 121 9.645 8.679 12.751 934 HA2 GLY 121 1HA GLY 121 11.078 9.666 14.407 935 HA3 GLY 121 2HA GLY 121 10.373 11.229 14.065 936 H ASP 122 H ASP 122 7.890 10.911 14.771 937 HA ASP 122 HA ASP 122 7.814 10.663 17.784 938 HB2 ASP 122 1HB ASP 122 7.838 13.210 18.049 939 HB3 ASP 122 2HB ASP 122 9.343 12.511 17.503 940 H VAL 123 H VAL 123 5.901 9.600 16.170 941 HA VAL 123 HA VAL 123 3.440 11.221 17.006 942 HB VAL 123 HB VAL 123 3.735 10.032 14.163 943 HG11 VAL 123 1HG1 VAL 123 1.395 11.538 15.595 944 HG12 VAL 123 2HG1 VAL 123 1.488 11.360 13.855 945 HG13 VAL 123 3HG1 VAL 123 1.330 9.916 14.874 946 HG21 VAL 123 3HG2 VAL 123 3.582 13.000 15.074 947 HG22 VAL 123 1HG2 VAL 123 5.002 12.204 14.378 948 HG23 VAL 123 2HG2 VAL 123 3.545 12.415 13.387 949 H THR 124 H THR 124 4.316 8.061 15.662 950 HA THR 124 HA THR 124 3.385 5.934 15.931 951 HB THR 124 HB THR 124 3.354 6.929 18.817 952 HG1 THR 124 HG1 THR 124 5.471 6.093 18.806 953 HG21 THR 124 3HG2 THR 124 2.418 4.527 18.590 954 HG22 THR 124 1HG2 THR 124 3.954 4.072 17.813 955 HG23 THR 124 2HG2 THR 124 3.935 4.620 19.493 956 H ALA 125 H ALA 125 1.522 6.218 14.675 957 HA ALA 125 HA ALA 125 -1.066 6.690 16.239 958 HB1 ALA 125 3HB ALA 125 -0.661 8.126 14.203 959 HB2 ALA 125 1HB ALA 125 -0.796 6.695 13.164 960 HB3 ALA 125 2HB ALA 125 -2.155 7.166 14.141 961 H ILE 126 H ILE 126 -1.526 4.831 17.134 962 HA ILE 126 HA ILE 126 -1.082 2.280 15.978 963 HB ILE 126 HB ILE 126 -1.013 2.932 18.310 964 HG12 ILE 126 1HG1 ILE 126 -2.509 0.309 18.382 965 HG13 ILE 126 2HG1 ILE 126 -1.315 0.399 17.104 966 HG21 ILE 126 1HG2 ILE 126 -2.891 2.510 19.850 967 HG22 ILE 126 2HG2 ILE 126 -3.205 3.893 18.796 968 HG23 ILE 126 3HG2 ILE 126 -4.034 2.351 18.501 969 HD11 ILE 126 3HD1 ILE 126 -0.697 0.979 20.066 970 HD12 ILE 126 1HD1 ILE 126 -0.157 -0.423 19.089 971 HD13 ILE 126 2HD1 ILE 126 0.446 1.187 18.715 972 H ARG 127 H ARG 127 -1.951 2.051 14.045 973 HA ARG 127 HA ARG 127 -4.813 2.486 13.498 974 HB2 ARG 127 1HB ARG 127 -2.663 1.206 11.775 975 HB3 ARG 127 2HB ARG 127 -4.311 1.402 11.232 976 HG2 ARG 127 1HG ARG 127 -4.214 3.830 11.257 977 HG3 ARG 127 2HG ARG 127 -2.703 3.840 12.157 978 HD2 ARG 127 1HD ARG 127 -2.214 4.346 9.867 979 HD3 ARG 127 2HD ARG 127 -1.455 2.814 10.307 980 HE ARG 127 HE ARG 127 -4.068 2.313 9.001 981 HH11 ARG 127 1HH1 ARG 127 -0.850 3.343 8.209 982 HH12 ARG 127 2HH1 ARG 127 -0.937 2.618 6.533 983 HH21 ARG 127 1HH2 ARG 127 -4.127 1.418 7.090 984 HH22 ARG 127 2HH2 ARG 127 -2.716 1.624 5.959 985 H ASN 128 H ASN 128 -6.074 1.137 14.568 986 HA ASN 128 HA ASN 128 -5.686 -1.863 14.597 987 HB2 ASN 128 1HB ASN 128 -7.603 0.099 15.993 988 HB3 ASN 128 2HB ASN 128 -8.034 -1.574 15.932 989 HD21 ASN 128 1HD2 ASN 128 -6.254 0.613 17.846 990 HD22 ASN 128 2HD2 ASN 128 -5.370 -0.723 18.723 991 H TYR 129 H TYR 129 -7.090 -3.291 13.778 992 HA TYR 129 HA TYR 129 -8.976 -2.518 11.512 993 HB2 TYR 129 1HB TYR 129 -6.135 -3.738 11.437 994 HB3 TYR 129 2HB TYR 129 -7.226 -4.335 10.256 995 HD1 TYR 129 HD1 TYR 129 -8.502 -2.588 8.798 996 HD2 TYR 129 HD2 TYR 129 -4.817 -1.784 10.827 997 HE1 TYR 129 HE1 TYR 129 -7.953 -0.935 7.099 998 HE2 TYR 129 HE2 TYR 129 -4.234 -0.126 9.092 999 HH TYR 129 HH TYR 129 -6.333 0.247 6.222 1000 H LYS 130 H LYS 130 -10.247 -4.220 10.686 1001 HA LYS 130 HA LYS 130 -10.302 -6.747 12.477 1002 HB2 LYS 130 1HB LYS 130 -12.151 -4.684 12.640 1003 HB3 LYS 130 2HB LYS 130 -12.864 -5.500 11.284 1004 HG2 LYS 130 1HG LYS 130 -13.960 -6.209 13.287 1005 HG3 LYS 130 2HG LYS 130 -13.131 -7.596 12.630 1006 HD2 LYS 130 1HD LYS 130 -13.015 -7.425 15.128 1007 HD3 LYS 130 2HD LYS 130 -11.494 -7.659 14.327 1008 HE2 LYS 130 1HE LYS 130 -11.134 -6.135 16.152 1009 HE3 LYS 130 2HE LYS 130 -10.826 -5.281 14.654 1010 HZ1 LYS 130 3HZ LYS 130 -13.131 -4.905 16.532 1011 HZ2 LYS 130 1HZ LYS 130 -12.245 -3.735 15.756 1012 HZ3 LYS 130 2HZ LYS 130 -13.388 -4.584 14.945 1013 H ARG 131 H ARG 131 -10.373 -8.683 11.393 1014 HA ARG 131 HA ARG 131 -10.020 -8.667 8.460 1015 HB2 ARG 131 1HB ARG 131 -8.884 -10.281 10.126 1016 HB3 ARG 131 2HB ARG 131 -10.407 -11.143 10.251 1017 HG2 ARG 131 1HG ARG 131 -10.259 -11.373 7.596 1018 HG3 ARG 131 2HG ARG 131 -8.635 -10.733 7.729 1019 HD2 ARG 131 1HD ARG 131 -9.691 -13.371 8.983 1020 HD3 ARG 131 2HD ARG 131 -8.768 -13.203 7.518 1021 HE ARG 131 HE ARG 131 -6.724 -12.712 8.701 1022 HH11 ARG 131 1HH1 ARG 131 -9.359 -13.123 10.896 1023 HH12 ARG 131 2HH1 ARG 131 -8.313 -12.996 12.384 1024 HH21 ARG 131 1HH2 ARG 131 -5.451 -12.758 10.444 1025 HH22 ARG 131 2HH2 ARG 131 -6.233 -13.058 12.074 1026 H LEU 132 H LEU 132 -11.436 -8.774 6.978 1027 HA LEU 132 HA LEU 132 -14.264 -9.855 7.482 1028 HB2 LEU 132 1HB LEU 132 -13.305 -7.945 5.295 1029 HB3 LEU 132 2HB LEU 132 -14.972 -8.454 5.589 1030 HG LEU 132 HG LEU 132 -13.173 -6.676 7.321 1031 HD11 LEU 132 1HD1 LEU 132 -14.134 -5.604 5.279 1032 HD12 LEU 132 2HD1 LEU 132 -15.772 -6.160 5.705 1033 HD13 LEU 132 3HD1 LEU 132 -14.962 -4.943 6.705 1034 HD21 LEU 132 3HD2 LEU 132 -14.585 -7.938 8.923 1035 HD22 LEU 132 1HD2 LEU 132 -15.121 -6.260 8.829 1036 HD23 LEU 132 2HD2 LEU 132 -16.062 -7.532 8.024 1037 H SER 133 H SER 133 -15.055 -11.402 6.217 1038 HA SER 133 HA SER 133 -13.291 -12.675 4.037 1039 HB2 SER 133 1HB SER 133 -14.446 -14.785 4.522 1040 HB3 SER 133 2HB SER 133 -13.727 -14.121 5.992 1041 HG SER 133 HG SER 133 -15.872 -14.866 6.321 1042 HXT SER 133 HXT SER 133 -16.324 -12.773 3.614 Start of MODEL 13 1 H1 MET 1 1H MET 1 1.311 -12.903 9.106 2 H2 MET 1 2H MET 1 2.312 -14.201 9.117 3 HA MET 1 HA MET 1 1.549 -12.573 6.762 4 HB2 MET 1 1HB MET 1 3.427 -15.008 6.873 5 HB3 MET 1 2HB MET 1 2.783 -14.320 5.399 6 HG2 MET 1 1HG MET 1 3.950 -12.111 5.914 7 HG3 MET 1 2HG MET 1 4.652 -12.839 7.367 8 HE1 MET 1 3HE MET 1 6.292 -14.799 7.440 9 HE2 MET 1 1HE MET 1 5.507 -15.981 6.360 10 HE3 MET 1 2HE MET 1 7.178 -15.458 6.032 11 H SER 2 H SER 2 1.673 -16.112 7.537 12 HA SER 2 HA SER 2 -1.043 -16.424 6.259 13 HB2 SER 2 1HB SER 2 -0.521 -18.804 6.286 14 HB3 SER 2 2HB SER 2 0.810 -17.877 5.585 15 HG SER 2 HG SER 2 1.865 -18.054 7.791 16 H SER 3 H SER 3 -1.818 -15.205 7.911 17 HA SER 3 HA SER 3 -2.797 -16.130 10.580 18 HB2 SER 3 1HB SER 3 -0.405 -16.242 11.069 19 HB3 SER 3 2HB SER 3 -0.060 -14.755 10.188 20 HG SER 3 HG SER 3 -0.079 -14.050 12.163 21 H PHE 4 H PHE 4 -1.419 -13.276 8.945 22 HA PHE 4 HA PHE 4 -4.048 -11.785 9.391 23 HB2 PHE 4 1HB PHE 4 -2.873 -9.645 9.168 24 HB3 PHE 4 2HB PHE 4 -2.627 -10.562 10.600 25 HD1 PHE 4 HD1 PHE 4 -0.792 -10.057 7.224 26 HD2 PHE 4 HD2 PHE 4 -0.496 -10.785 11.456 27 HE1 PHE 4 HE1 PHE 4 1.607 -9.627 7.125 28 HE2 PHE 4 HE2 PHE 4 1.942 -10.345 11.340 29 HZ PHE 4 HZ PHE 4 2.982 -9.784 9.191 30 H LEU 5 H LEU 5 -4.017 -13.598 7.526 31 HA LEU 5 HA LEU 5 -3.958 -12.324 4.815 32 HB2 LEU 5 1HB LEU 5 -5.183 -14.931 5.908 33 HB3 LEU 5 2HB LEU 5 -5.415 -14.422 4.254 34 HG LEU 5 HG LEU 5 -2.568 -14.716 5.387 35 HD11 LEU 5 1HD1 LEU 5 -3.743 -16.907 5.707 36 HD12 LEU 5 2HD1 LEU 5 -4.299 -16.892 4.017 37 HD13 LEU 5 3HD1 LEU 5 -2.567 -17.028 4.388 38 HD21 LEU 5 3HD2 LEU 5 -1.999 -15.034 2.962 39 HD22 LEU 5 1HD2 LEU 5 -3.703 -14.824 2.502 40 HD23 LEU 5 2HD2 LEU 5 -2.787 -13.468 3.199 41 H GLY 6 H GLY 6 -5.575 -11.098 3.959 42 HA2 GLY 6 1HA GLY 6 -8.211 -11.323 3.574 43 HA3 GLY 6 2HA GLY 6 -8.319 -10.959 5.298 44 H LYS 7 H LYS 7 -9.690 -9.357 4.187 45 HA LYS 7 HA LYS 7 -8.218 -6.904 3.249 46 HB2 LYS 7 1HB LYS 7 -10.180 -5.770 2.695 47 HB3 LYS 7 2HB LYS 7 -10.130 -7.324 1.904 48 HG2 LYS 7 1HG LYS 7 -11.837 -8.227 3.573 49 HG3 LYS 7 2HG LYS 7 -11.898 -6.620 4.324 50 HD2 LYS 7 1HD LYS 7 -12.661 -5.550 2.263 51 HD3 LYS 7 2HD LYS 7 -12.467 -7.001 1.306 52 HE2 LYS 7 1HE LYS 7 -14.390 -6.910 3.747 53 HE3 LYS 7 2HE LYS 7 -14.864 -6.272 2.175 54 HZ1 LYS 7 3HZ LYS 7 -14.331 -8.523 1.176 55 HZ2 LYS 7 1HZ LYS 7 -14.019 -9.160 2.650 56 HZ3 LYS 7 2HZ LYS 7 -15.533 -8.638 2.290 57 H TRP 8 H TRP 8 -8.326 -4.931 4.336 58 HA TRP 8 HA TRP 8 -8.625 -5.222 7.367 59 HB2 TRP 8 1HB TRP 8 -6.291 -4.019 5.728 60 HB3 TRP 8 2HB TRP 8 -6.446 -3.887 7.466 61 HD1 TRP 8 HD1 TRP 8 -7.194 -7.516 7.160 62 HE1 TRP 8 HE1 TRP 8 -5.057 -9.053 7.280 63 HE3 TRP 8 HE3 TRP 8 -3.664 -3.847 6.343 64 HZ2 TRP 8 HZ2 TRP 8 -2.302 -8.520 7.386 65 HZ3 TRP 8 HZ3 TRP 8 -1.271 -4.448 6.579 66 HH2 TRP 8 HH2 TRP 8 -0.610 -6.754 7.131 67 H LYS 9 H LYS 9 -9.797 -3.524 8.143 68 HA LYS 9 HA LYS 9 -9.684 -0.891 6.667 69 HB2 LYS 9 1HB LYS 9 -11.930 -0.558 6.286 70 HB3 LYS 9 2HB LYS 9 -11.547 -2.112 5.652 71 HG2 LYS 9 1HG LYS 9 -13.287 -3.019 6.710 72 HG3 LYS 9 2HG LYS 9 -12.555 -2.758 8.271 73 HD2 LYS 9 1HD LYS 9 -14.365 -0.765 6.738 74 HD3 LYS 9 2HD LYS 9 -14.895 -1.861 8.011 75 HE2 LYS 9 1HE LYS 9 -13.326 -0.690 9.674 76 HE3 LYS 9 2HE LYS 9 -12.825 0.417 8.403 77 HZ1 LYS 9 3HZ LYS 9 -15.124 1.227 8.184 78 HZ2 LYS 9 1HZ LYS 9 -15.683 0.182 9.326 79 HZ3 LYS 9 2HZ LYS 9 -14.638 1.386 9.748 80 H LEU 10 H LEU 10 -9.804 0.825 7.897 81 HA LEU 10 HA LEU 10 -8.904 0.681 10.475 82 HB2 LEU 10 1HB LEU 10 -8.839 2.629 8.740 83 HB3 LEU 10 2HB LEU 10 -10.322 3.188 9.495 84 HG LEU 10 HG LEU 10 -9.021 3.149 11.765 85 HD11 LEU 10 1HD1 LEU 10 -6.535 3.350 11.608 86 HD12 LEU 10 2HD1 LEU 10 -7.035 1.742 11.088 87 HD13 LEU 10 3HD1 LEU 10 -6.578 2.968 9.868 88 HD21 LEU 10 3HD2 LEU 10 -7.949 5.352 11.284 89 HD22 LEU 10 1HD2 LEU 10 -8.107 5.085 9.529 90 HD23 LEU 10 2HD2 LEU 10 -9.558 5.261 10.551 91 H SER 11 H SER 11 -9.557 0.460 12.473 92 HA SER 11 HA SER 11 -12.484 0.585 13.209 93 HB2 SER 11 1HB SER 11 -11.199 -1.514 13.694 94 HB3 SER 11 2HB SER 11 -10.201 -0.629 14.849 95 HG SER 11 HG SER 11 -12.339 0.041 15.782 96 H GLU 12 H GLU 12 -9.328 1.943 14.194 97 HA GLU 12 HA GLU 12 -10.832 4.362 15.146 98 HB2 GLU 12 1HB GLU 12 -9.778 4.569 17.294 99 HB3 GLU 12 2HB GLU 12 -10.540 3.008 17.182 100 HG2 GLU 12 1HG GLU 12 -8.589 2.212 18.045 101 HG3 GLU 12 2HG GLU 12 -8.023 2.249 16.379 102 H SER 13 H SER 13 -9.570 6.230 15.366 103 HA SER 13 HA SER 13 -6.779 6.180 14.128 104 HB2 SER 13 1HB SER 13 -8.233 7.302 12.486 105 HB3 SER 13 2HB SER 13 -8.883 8.401 13.719 106 HG SER 13 HG SER 13 -6.970 9.114 12.334 107 H HIS 14 H HIS 14 -5.976 5.940 16.270 108 HA HIS 14 HA HIS 14 -6.299 7.934 18.304 109 HB2 HIS 14 1HB HIS 14 -5.232 5.577 18.407 110 HB3 HIS 14 2HB HIS 14 -3.741 6.281 17.858 111 HD1 HIS 14 HD1 HIS 14 -2.742 8.370 19.648 112 HD2 HIS 14 HD2 HIS 14 -5.837 5.671 20.961 113 HE1 HIS 14 HE1 HIS 14 -2.835 8.329 22.223 114 HE2 HIS 14 HE2 HIS 14 -4.698 6.765 23.124 115 H ASN 15 H ASN 15 -3.531 7.775 16.117 116 HA ASN 15 HA ASN 15 -3.539 10.797 15.947 117 HB2 ASN 15 1HB ASN 15 -0.960 9.144 16.379 118 HB3 ASN 15 2HB ASN 15 -0.980 10.820 15.898 119 HD21 ASN 15 1HD2 ASN 15 -1.339 12.393 17.498 120 HD22 ASN 15 2HD2 ASN 15 -1.440 11.908 19.269 121 H PHE 16 H PHE 16 -4.417 8.411 14.205 122 HA PHE 16 HA PHE 16 -2.680 8.684 11.790 123 HB2 PHE 16 1HB PHE 16 -3.686 6.528 12.519 124 HB3 PHE 16 2HB PHE 16 -5.298 7.137 12.268 125 HD1 PHE 16 HD1 PHE 16 -2.055 6.602 10.477 126 HD2 PHE 16 HD2 PHE 16 -6.318 6.816 10.095 127 HE1 PHE 16 HE1 PHE 16 -1.886 5.882 8.085 128 HE2 PHE 16 HE2 PHE 16 -6.166 6.031 7.768 129 HZ PHE 16 HZ PHE 16 -3.967 5.569 6.746 130 H ASP 17 H ASP 17 -3.026 11.011 11.902 131 HA ASP 17 HA ASP 17 -4.737 11.728 9.563 132 HB2 ASP 17 1HB ASP 17 -6.278 12.968 10.483 133 HB3 ASP 17 2HB ASP 17 -5.897 12.209 11.969 134 H ALA 18 H ALA 18 -2.489 13.170 11.909 135 HA ALA 18 HA ALA 18 -1.190 14.867 9.784 136 HB1 ALA 18 3HB ALA 18 -1.651 15.682 12.211 137 HB2 ALA 18 1HB ALA 18 -0.406 14.517 12.763 138 HB3 ALA 18 2HB ALA 18 0.037 15.873 11.701 139 H VAL 19 H VAL 19 -0.592 11.847 11.084 140 HA VAL 19 HA VAL 19 2.268 11.519 10.992 141 HB VAL 19 HB VAL 19 0.593 9.961 11.974 142 HG11 VAL 19 1HG1 VAL 19 -0.518 8.206 10.784 143 HG12 VAL 19 2HG1 VAL 19 -1.077 9.764 10.141 144 HG13 VAL 19 3HG1 VAL 19 0.062 8.761 9.199 145 HG21 VAL 19 3HG2 VAL 19 2.932 9.238 11.734 146 HG22 VAL 19 1HG2 VAL 19 1.831 7.884 11.549 147 HG23 VAL 19 2HG2 VAL 19 2.606 8.566 10.110 148 H MET 20 H MET 20 0.038 11.272 8.358 149 HA MET 20 HA MET 20 2.356 10.910 6.434 150 HB2 MET 20 1HB MET 20 0.123 9.374 6.373 151 HB3 MET 20 2HB MET 20 -0.485 10.679 5.374 152 HG2 MET 20 1HG MET 20 1.733 10.362 3.942 153 HG3 MET 20 2HG MET 20 2.041 8.934 4.933 154 HE1 MET 20 3HE MET 20 1.498 9.271 1.631 155 HE2 MET 20 1HE MET 20 2.123 7.799 2.425 156 HE3 MET 20 2HE MET 20 0.696 7.704 1.355 157 H SER 21 H SER 21 -0.135 13.306 7.304 158 HA SER 21 HA SER 21 0.516 15.148 5.108 159 HB2 SER 21 1HB SER 21 -1.561 15.256 6.636 160 HB3 SER 21 2HB SER 21 -0.528 15.929 7.898 161 HG SER 21 HG SER 21 0.101 17.536 6.220 162 H LYS 22 H LYS 22 2.006 14.727 8.358 163 HA LYS 22 HA LYS 22 4.020 16.835 7.933 164 HB2 LYS 22 1HB LYS 22 4.764 16.346 10.010 165 HB3 LYS 22 2HB LYS 22 3.158 15.675 10.128 166 HG2 LYS 22 1HG LYS 22 4.183 13.897 11.032 167 HG3 LYS 22 2HG LYS 22 4.346 13.370 9.387 168 HD2 LYS 22 1HD LYS 22 6.566 13.198 9.691 169 HD3 LYS 22 2HD LYS 22 6.708 14.929 9.658 170 HE2 LYS 22 1HE LYS 22 6.338 13.152 12.174 171 HE3 LYS 22 2HE LYS 22 7.853 13.809 11.629 172 HZ1 LYS 22 3HZ LYS 22 7.118 16.061 12.195 173 HZ2 LYS 22 1HZ LYS 22 5.559 15.581 12.489 174 HZ3 LYS 22 2HZ LYS 22 6.784 15.105 13.501 175 H LEU 23 H LEU 23 3.796 13.678 6.727 176 HA LEU 23 HA LEU 23 6.612 13.431 5.701 177 HB2 LEU 23 1HB LEU 23 5.017 11.443 6.297 178 HB3 LEU 23 2HB LEU 23 4.097 11.877 4.882 179 HG LEU 23 HG LEU 23 6.552 11.777 3.694 180 HD11 LEU 23 1HD1 LEU 23 6.863 9.496 5.736 181 HD12 LEU 23 2HD1 LEU 23 8.072 10.234 4.653 182 HD13 LEU 23 3HD1 LEU 23 7.524 11.087 6.094 183 HD21 LEU 23 3HD2 LEU 23 5.941 9.506 2.918 184 HD22 LEU 23 1HD2 LEU 23 4.852 9.259 4.293 185 HD23 LEU 23 2HD2 LEU 23 4.475 10.472 3.046 186 H GLY 24 H GLY 24 3.383 14.216 4.340 187 HA2 GLY 24 1HA GLY 24 3.639 16.427 2.943 188 HA3 GLY 24 2HA GLY 24 4.757 15.543 1.922 189 H VAL 25 H VAL 25 1.490 14.987 3.172 190 HA VAL 25 HA VAL 25 0.550 13.876 0.559 191 HB VAL 25 HB VAL 25 -0.623 14.070 3.386 192 HG11 VAL 25 1HG1 VAL 25 -2.512 12.690 2.746 193 HG12 VAL 25 2HG1 VAL 25 -2.577 14.128 1.711 194 HG13 VAL 25 3HG1 VAL 25 -1.987 12.592 1.056 195 HG21 VAL 25 3HG2 VAL 25 -0.368 11.563 3.253 196 HG22 VAL 25 1HG2 VAL 25 0.210 11.669 1.573 197 HG23 VAL 25 2HG2 VAL 25 1.197 12.320 2.892 198 H SER 26 H SER 26 -0.912 14.688 -0.754 199 HA SER 26 HA SER 26 -1.258 17.595 -0.972 200 HB2 SER 26 1HB SER 26 -2.453 17.210 -3.020 201 HB3 SER 26 2HB SER 26 -1.149 16.043 -2.969 202 HG SER 26 HG SER 26 -3.005 14.646 -1.929 203 H TRP 27 H TRP 27 -3.067 18.919 -0.660 204 HA TRP 27 HA TRP 27 -5.127 17.989 1.248 205 HB2 TRP 27 1HB TRP 27 -4.563 20.677 -0.135 206 HB3 TRP 27 2HB TRP 27 -5.988 20.466 0.861 207 HD1 TRP 27 HD1 TRP 27 -2.079 20.673 1.317 208 HE1 TRP 27 HE1 TRP 27 -1.445 20.846 3.862 209 HE3 TRP 27 HE3 TRP 27 -6.785 19.813 3.181 210 HZ2 TRP 27 HZ2 TRP 27 -2.928 20.584 6.286 211 HZ3 TRP 27 HZ3 TRP 27 -7.096 19.716 5.614 212 HH2 TRP 27 HH2 TRP 27 -5.214 20.131 7.164 213 H ALA 28 H ALA 28 -5.310 16.744 -1.335 214 HA ALA 28 HA ALA 28 -8.337 16.623 -1.138 215 HB1 ALA 28 3HB ALA 28 -7.797 17.172 -3.512 216 HB2 ALA 28 1HB ALA 28 -6.746 15.742 -3.638 217 HB3 ALA 28 2HB ALA 28 -8.496 15.549 -3.380 218 H THR 29 H THR 29 -5.362 14.690 -1.606 219 HA THR 29 HA THR 29 -6.452 12.104 -0.663 220 HB THR 29 HB THR 29 -3.948 11.573 -0.213 221 HG1 THR 29 HG1 THR 29 -2.394 13.012 -1.039 222 HG21 THR 29 3HG2 THR 29 -4.507 12.522 -3.074 223 HG22 THR 29 1HG2 THR 29 -3.253 11.386 -2.534 224 HG23 THR 29 2HG2 THR 29 -4.966 10.932 -2.399 225 H ARG 30 H ARG 30 -5.184 14.816 1.049 226 HA ARG 30 HA ARG 30 -4.832 13.479 3.655 227 HB2 ARG 30 1HB ARG 30 -4.000 15.894 2.584 228 HB3 ARG 30 2HB ARG 30 -5.375 16.500 3.429 229 HG2 ARG 30 1HG ARG 30 -3.352 14.714 4.946 230 HG3 ARG 30 2HG ARG 30 -2.806 16.236 4.317 231 HD2 ARG 30 1HD ARG 30 -3.363 16.822 6.455 232 HD3 ARG 30 2HD ARG 30 -4.737 17.427 5.544 233 HE ARG 30 HE ARG 30 -5.861 15.052 6.214 234 HH11 ARG 30 1HH1 ARG 30 -3.866 17.040 8.376 235 HH12 ARG 30 2HH1 ARG 30 -4.735 16.249 9.813 236 HH21 ARG 30 1HH2 ARG 30 -6.603 14.194 7.976 237 HH22 ARG 30 2HH2 ARG 30 -6.084 14.931 9.600 238 H GLN 31 H GLN 31 -7.572 14.045 2.016 239 HA GLN 31 HA GLN 31 -9.401 14.001 4.458 240 HB2 GLN 31 1HB GLN 31 -9.909 15.352 1.717 241 HB3 GLN 31 2HB GLN 31 -11.194 14.982 2.837 242 HG2 GLN 31 1HG GLN 31 -10.951 16.952 3.828 243 HG3 GLN 31 2HG GLN 31 -9.458 16.420 4.550 244 HE21 GLN 31 1HE2 GLN 31 -7.739 16.457 2.502 245 HE22 GLN 31 2HE2 GLN 31 -7.739 18.089 1.652 246 H ILE 32 H ILE 32 -8.152 12.052 2.092 247 HA ILE 32 HA ILE 32 -10.569 10.180 2.326 248 HB ILE 32 HB ILE 32 -8.420 10.510 0.193 249 HG12 ILE 32 1HG1 ILE 32 -10.608 9.874 -1.247 250 HG13 ILE 32 2HG1 ILE 32 -11.502 10.206 0.211 251 HG21 ILE 32 1HG2 ILE 32 -8.184 8.085 0.682 252 HG22 ILE 32 2HG2 ILE 32 -9.935 7.851 0.523 253 HG23 ILE 32 3HG2 ILE 32 -8.965 8.343 -0.879 254 HD11 ILE 32 3HD1 ILE 32 -9.643 12.158 -1.293 255 HD12 ILE 32 1HD1 ILE 32 -11.421 12.142 -1.341 256 HD13 ILE 32 2HD1 ILE 32 -10.587 12.613 0.144 257 H GLY 33 H GLY 33 -7.044 10.431 2.872 258 HA2 GLY 33 1HA GLY 33 -6.459 7.785 3.867 259 HA3 GLY 33 2HA GLY 33 -5.683 9.229 4.479 260 H ASN 34 H ASN 34 -7.505 10.521 5.986 261 HA ASN 34 HA ASN 34 -8.411 8.522 8.085 262 HB2 ASN 34 1HB ASN 34 -8.307 10.305 9.652 263 HB3 ASN 34 2HB ASN 34 -6.827 10.284 8.739 264 HD21 ASN 34 1HD2 ASN 34 -9.643 12.165 9.451 265 HD22 ASN 34 2HD2 ASN 34 -9.032 13.673 8.615 266 H THR 35 H THR 35 -9.985 8.481 5.799 267 HA THR 35 HA THR 35 -12.682 9.339 6.846 268 HB THR 35 HB THR 35 -11.498 10.460 4.252 269 HG1 THR 35 HG1 THR 35 -11.263 11.281 6.676 270 HG21 THR 35 3HG2 THR 35 -14.274 10.998 5.517 271 HG22 THR 35 1HG2 THR 35 -13.577 11.826 4.108 272 HG23 THR 35 2HG2 THR 35 -14.003 10.109 3.997 273 H VAL 36 H VAL 36 -11.229 8.129 3.760 274 HA VAL 36 HA VAL 36 -13.538 6.175 3.675 275 HB VAL 36 HB VAL 36 -11.545 6.772 1.426 276 HG11 VAL 36 1HG1 VAL 36 -13.211 5.574 0.016 277 HG12 VAL 36 2HG1 VAL 36 -12.861 4.526 1.404 278 HG13 VAL 36 3HG1 VAL 36 -14.367 5.463 1.360 279 HG21 VAL 36 3HG2 VAL 36 -13.755 8.005 0.463 280 HG22 VAL 36 1HG2 VAL 36 -14.113 8.221 2.221 281 HG23 VAL 36 2HG2 VAL 36 -12.628 8.853 1.540 282 H THR 37 H THR 37 -12.948 4.744 5.040 283 HA THR 37 HA THR 37 -10.608 4.451 6.219 284 HB THR 37 HB THR 37 -11.345 2.539 7.463 285 HG1 THR 37 HG1 THR 37 -12.244 1.649 5.286 286 HG21 THR 37 3HG2 THR 37 -13.173 3.537 8.480 287 HG22 THR 37 1HG2 THR 37 -12.834 4.883 7.349 288 HG23 THR 37 2HG2 THR 37 -14.081 3.707 6.957 289 HA PRO 38 HA PRO 38 -8.185 2.755 2.943 290 HB2 PRO 38 1HB PRO 38 -5.716 2.093 4.297 291 HB3 PRO 38 2HB PRO 38 -6.205 3.568 3.443 292 HG2 PRO 38 1HG PRO 38 -6.454 2.935 6.425 293 HG3 PRO 38 2HG PRO 38 -5.974 4.476 5.666 294 HD2 PRO 38 1HD PRO 38 -8.473 4.182 6.666 295 HD3 PRO 38 2HD PRO 38 -8.307 4.976 5.065 296 H THR 39 H THR 39 -8.854 1.026 1.977 297 HA THR 39 HA THR 39 -9.217 -1.564 3.228 298 HB THR 39 HB THR 39 -9.290 -0.900 0.245 299 HG1 THR 39 HG1 THR 39 -10.874 0.282 0.448 300 HG21 THR 39 3HG2 THR 39 -11.017 -2.830 1.930 301 HG22 THR 39 1HG2 THR 39 -11.311 -2.409 0.227 302 HG23 THR 39 2HG2 THR 39 -9.834 -3.274 0.664 303 H VAL 40 H VAL 40 -6.767 -1.463 3.727 304 HA VAL 40 HA VAL 40 -4.882 -2.203 1.571 305 HB VAL 40 HB VAL 40 -3.131 -2.297 3.450 306 HG11 VAL 40 1HG1 VAL 40 -3.314 -0.438 1.836 307 HG12 VAL 40 2HG1 VAL 40 -4.584 0.345 2.801 308 HG13 VAL 40 3HG1 VAL 40 -2.925 0.193 3.441 309 HG21 VAL 40 3HG2 VAL 40 -4.856 -2.347 5.438 310 HG22 VAL 40 1HG2 VAL 40 -3.507 -1.196 5.547 311 HG23 VAL 40 2HG2 VAL 40 -5.144 -0.648 5.104 312 H THR 41 H THR 41 -5.530 -4.068 0.831 313 HA THR 41 HA THR 41 -6.398 -6.212 2.649 314 HB THR 41 HB THR 41 -6.788 -5.562 -0.298 315 HG1 THR 41 HG1 THR 41 -7.801 -4.153 0.990 316 HG21 THR 41 3HG2 THR 41 -8.915 -7.038 0.006 317 HG22 THR 41 1HG2 THR 41 -7.403 -7.726 -0.539 318 HG23 THR 41 2HG2 THR 41 -7.912 -7.976 1.152 319 H PHE 42 H PHE 42 -5.161 -7.869 3.212 320 HA PHE 42 HA PHE 42 -2.578 -8.182 1.637 321 HB2 PHE 42 1HB PHE 42 -2.959 -7.488 4.311 322 HB3 PHE 42 2HB PHE 42 -2.774 -9.192 4.502 323 HD1 PHE 42 HD1 PHE 42 -0.623 -10.211 3.116 324 HD2 PHE 42 HD2 PHE 42 -1.037 -6.102 4.235 325 HE1 PHE 42 HE1 PHE 42 1.850 -10.022 3.396 326 HE2 PHE 42 HE2 PHE 42 1.401 -5.907 4.475 327 HZ PHE 42 HZ PHE 42 2.853 -7.886 4.081 328 H THR 43 H THR 43 -2.661 -9.782 0.376 329 HA THR 43 HA THR 43 -3.904 -12.469 1.143 330 HB THR 43 HB THR 43 -4.939 -12.476 -1.097 331 HG1 THR 43 HG1 THR 43 -3.752 -9.906 -1.379 332 HG21 THR 43 3HG2 THR 43 -5.642 -9.653 -0.107 333 HG22 THR 43 1HG2 THR 43 -6.696 -10.904 -0.792 334 HG23 THR 43 2HG2 THR 43 -6.073 -11.050 0.880 335 H MET 44 H MET 44 -2.957 -14.348 0.326 336 HA MET 44 HA MET 44 -0.202 -14.073 -0.847 337 HB2 MET 44 1HB MET 44 -0.658 -15.600 1.056 338 HB3 MET 44 2HB MET 44 -1.641 -16.635 0.015 339 HG2 MET 44 1HG MET 44 0.356 -17.143 -1.411 340 HG3 MET 44 2HG MET 44 1.342 -15.962 -0.547 341 HE1 MET 44 3HE MET 44 1.398 -16.128 2.356 342 HE2 MET 44 1HE MET 44 2.297 -17.623 2.745 343 HE3 MET 44 2HE MET 44 2.835 -16.587 1.393 344 H ASP 45 H ASP 45 0.014 -13.813 -2.985 345 HA ASP 45 HA ASP 45 -1.996 -15.062 -4.916 346 HB2 ASP 45 1HB ASP 45 -1.486 -12.576 -4.995 347 HB3 ASP 45 2HB ASP 45 0.172 -12.939 -5.466 348 H GLY 46 H GLY 46 -1.209 -17.125 -4.477 349 HA2 GLY 46 1HA GLY 46 -0.164 -19.100 -5.460 350 HA3 GLY 46 2HA GLY 46 0.891 -18.083 -6.413 351 H ASP 47 H ASP 47 2.435 -16.837 -4.931 352 HA ASP 47 HA ASP 47 3.784 -18.720 -2.948 353 HB2 ASP 47 1HB ASP 47 5.015 -18.828 -5.107 354 HB3 ASP 47 2HB ASP 47 5.180 -17.079 -5.167 355 H LYS 48 H LYS 48 3.863 -15.344 -4.138 356 HA LYS 48 HA LYS 48 4.600 -14.469 -1.328 357 HB2 LYS 48 1HB LYS 48 5.921 -12.829 -2.202 358 HB3 LYS 48 2HB LYS 48 6.210 -14.239 -3.192 359 HG2 LYS 48 1HG LYS 48 4.703 -13.178 -5.010 360 HG3 LYS 48 2HG LYS 48 4.539 -11.762 -3.966 361 HD2 LYS 48 1HD LYS 48 7.055 -11.487 -3.940 362 HD3 LYS 48 2HD LYS 48 7.231 -12.872 -5.015 363 HE2 LYS 48 1HE LYS 48 5.783 -10.213 -5.677 364 HE3 LYS 48 2HE LYS 48 7.415 -10.631 -6.162 365 HZ1 LYS 48 2HZ LYS 48 6.458 -12.550 -7.430 366 HZ3 LYS 48 1HZ LYS 48 5.917 -11.094 -7.974 367 H MET 49 H MET 49 3.998 -12.104 -0.871 368 HA MET 49 HA MET 49 0.978 -12.359 -0.705 369 HB2 MET 49 1HB MET 49 2.884 -10.962 1.255 370 HB3 MET 49 2HB MET 49 1.124 -10.996 1.366 371 HG2 MET 49 1HG MET 49 1.221 -13.585 1.435 372 HG3 MET 49 2HG MET 49 2.975 -13.451 1.561 373 HE1 MET 49 3HE MET 49 -0.458 -12.552 2.958 374 HE2 MET 49 1HE MET 49 -0.027 -13.989 3.930 375 HE3 MET 49 2HE MET 49 -0.191 -12.396 4.716 376 H THR 50 H THR 50 -0.412 -10.617 -0.900 377 HA THR 50 HA THR 50 0.717 -8.195 -2.339 378 HB THR 50 HB THR 50 -1.862 -9.782 -3.035 379 HG1 THR 50 HG1 THR 50 0.153 -10.957 -3.311 380 HG21 THR 50 3HG2 THR 50 -1.766 -7.424 -3.993 381 HG22 THR 50 1HG2 THR 50 -0.206 -7.810 -4.737 382 HG23 THR 50 2HG2 THR 50 -1.658 -8.677 -5.257 383 H MET 51 H MET 51 0.019 -6.352 -1.670 384 HA MET 51 HA MET 51 -2.434 -6.056 0.102 385 HB2 MET 51 1HB MET 51 -0.090 -4.219 -0.410 386 HB3 MET 51 2HB MET 51 -1.639 -3.432 -0.305 387 HG2 MET 51 1HG MET 51 -2.100 -4.502 1.932 388 HG3 MET 51 2HG MET 51 -0.484 -5.221 1.904 389 HE1 MET 51 3HE MET 51 -1.348 -3.571 4.189 390 HE2 MET 51 1HE MET 51 0.426 -3.775 4.151 391 HE3 MET 51 2HE MET 51 -0.284 -2.153 4.405 392 H LEU 52 H LEU 52 -4.169 -6.227 -1.115 393 HA LEU 52 HA LEU 52 -4.473 -4.811 -3.762 394 HB2 LEU 52 1HB LEU 52 -6.560 -6.454 -2.233 395 HB3 LEU 52 2HB LEU 52 -6.637 -5.966 -3.902 396 HG LEU 52 HG LEU 52 -4.429 -7.815 -2.765 397 HD11 LEU 52 1HD1 LEU 52 -5.590 -9.729 -3.559 398 HD12 LEU 52 2HD1 LEU 52 -6.711 -8.864 -2.500 399 HD13 LEU 52 3HD1 LEU 52 -6.938 -8.775 -4.264 400 HD21 LEU 52 3HD2 LEU 52 -5.289 -7.232 -5.684 401 HD22 LEU 52 1HD2 LEU 52 -3.770 -6.754 -4.880 402 HD23 LEU 52 2HD2 LEU 52 -4.109 -8.465 -5.182 403 H THR 53 H THR 53 -3.942 -2.866 -2.513 404 HA THR 53 HA THR 53 -5.622 -1.604 -0.565 405 HB THR 53 HB THR 53 -3.498 -0.499 -2.479 406 HG1 THR 53 HG1 THR 53 -2.230 -0.738 -0.657 407 HG21 THR 53 3HG2 THR 53 -4.684 0.768 0.086 408 HG22 THR 53 1HG2 THR 53 -3.208 1.336 -0.758 409 HG23 THR 53 2HG2 THR 53 -4.791 1.439 -1.554 410 H GLU 54 H GLU 54 -7.663 -1.339 -1.039 411 HA GLU 54 HA GLU 54 -8.528 0.199 -3.509 412 HB2 GLU 54 1HB GLU 54 -9.710 -2.118 -1.864 413 HB3 GLU 54 2HB GLU 54 -10.783 -1.149 -2.848 414 HG2 GLU 54 1HG GLU 54 -8.307 -2.654 -3.904 415 HG3 GLU 54 2HG GLU 54 -9.976 -3.191 -4.013 416 H SER 55 H SER 55 -7.998 2.113 -2.420 417 HA SER 55 HA SER 55 -10.238 3.291 -0.675 418 HB2 SER 55 1HB SER 55 -7.271 4.063 -1.138 419 HB3 SER 55 2HB SER 55 -8.398 5.300 -0.631 420 HG SER 55 HG SER 55 -8.906 4.129 1.205 421 H THR 56 H THR 56 -10.902 5.567 -1.349 422 HA THR 56 HA THR 56 -11.646 5.705 -4.128 423 HB THR 56 HB THR 56 -11.542 7.981 -2.061 424 HG1 THR 56 HG1 THR 56 -13.786 6.498 -2.864 425 HG21 THR 56 3HG2 THR 56 -13.467 8.971 -3.325 426 HG22 THR 56 1HG2 THR 56 -12.025 8.954 -4.348 427 HG23 THR 56 2HG2 THR 56 -13.295 7.750 -4.609 428 H PHE 57 H PHE 57 -8.758 7.039 -2.685 429 HA PHE 57 HA PHE 57 -7.953 8.309 -5.364 430 HB2 PHE 57 1HB PHE 57 -7.337 9.020 -2.452 431 HB3 PHE 57 2HB PHE 57 -6.093 9.316 -3.620 432 HD1 PHE 57 HD1 PHE 57 -9.914 9.850 -3.470 433 HD2 PHE 57 HD2 PHE 57 -6.092 11.554 -4.493 434 HE1 PHE 57 HE1 PHE 57 -11.009 11.930 -4.142 435 HE2 PHE 57 HE2 PHE 57 -7.195 13.627 -5.144 436 HZ PHE 57 HZ PHE 57 -9.662 13.835 -4.982 437 H LYS 58 H LYS 58 -6.830 6.005 -2.949 438 HA LYS 58 HA LYS 58 -4.853 4.967 -5.069 439 HB2 LYS 58 1HB LYS 58 -4.601 4.671 -2.013 440 HB3 LYS 58 2HB LYS 58 -3.856 3.560 -3.146 441 HG2 LYS 58 1HG LYS 58 -2.696 5.543 -4.301 442 HG3 LYS 58 2HG LYS 58 -3.234 6.581 -2.993 443 HD2 LYS 58 1HD LYS 58 -1.669 3.936 -2.514 444 HD3 LYS 58 2HD LYS 58 -0.834 5.407 -2.909 445 HE2 LYS 58 1HE LYS 58 -1.739 6.590 -0.896 446 HE3 LYS 58 2HE LYS 58 -2.725 5.185 -0.467 447 HZ1 LYS 58 3HZ LYS 58 -0.405 5.119 0.693 448 HZ2 LYS 58 1HZ LYS 58 -0.573 3.821 -0.335 449 HZ3 LYS 58 2HZ LYS 58 0.313 4.959 -0.806 450 H ASN 59 H ASN 59 -6.836 4.120 -6.030 451 HA ASN 59 HA ASN 59 -7.482 1.363 -4.875 452 HB2 ASN 59 1HB ASN 59 -9.143 1.084 -6.529 453 HB3 ASN 59 2HB ASN 59 -9.400 2.534 -5.629 454 HD21 ASN 59 1HD2 ASN 59 -9.223 1.278 -8.722 455 HD22 ASN 59 2HD2 ASN 59 -9.255 2.901 -9.593 456 H LEU 60 H LEU 60 -5.519 0.403 -4.991 457 HA LEU 60 HA LEU 60 -4.535 -0.458 -7.665 458 HB2 LEU 60 1HB LEU 60 -2.251 0.505 -7.488 459 HB3 LEU 60 2HB LEU 60 -3.534 1.671 -7.647 460 HG LEU 60 HG LEU 60 -3.396 1.836 -4.956 461 HD11 LEU 60 1HD1 LEU 60 -1.604 0.055 -4.620 462 HD12 LEU 60 2HD1 LEU 60 -0.510 0.928 -5.703 463 HD13 LEU 60 3HD1 LEU 60 -0.999 1.642 -4.151 464 HD21 LEU 60 3HD2 LEU 60 -1.344 3.117 -6.910 465 HD22 LEU 60 1HD2 LEU 60 -2.968 3.737 -6.524 466 HD23 LEU 60 2HD2 LEU 60 -1.697 3.719 -5.284 467 H SER 61 H SER 61 -3.337 -2.293 -7.692 468 HA SER 61 HA SER 61 -2.893 -3.691 -5.051 469 HB2 SER 61 1HB SER 61 -2.622 -5.743 -6.425 470 HB3 SER 61 2HB SER 61 -4.160 -4.935 -6.763 471 HG SER 61 HG SER 61 -1.813 -4.464 -8.312 472 H VAL 62 H VAL 62 -0.944 -4.157 -4.224 473 HA VAL 62 HA VAL 62 1.550 -4.018 -5.955 474 HB VAL 62 HB VAL 62 2.724 -3.267 -3.838 475 HG11 VAL 62 1HG1 VAL 62 2.578 -1.928 -5.940 476 HG12 VAL 62 2HG1 VAL 62 1.010 -1.258 -5.434 477 HG13 VAL 62 3HG1 VAL 62 2.497 -0.883 -4.525 478 HG21 VAL 62 3HG2 VAL 62 1.549 -1.716 -2.341 479 HG22 VAL 62 1HG2 VAL 62 -0.012 -2.058 -3.133 480 HG23 VAL 62 2HG2 VAL 62 0.820 -3.342 -2.227 481 H THR 63 H THR 63 2.989 -5.582 -5.689 482 HA THR 63 HA THR 63 2.217 -7.985 -3.936 483 HB THR 63 HB THR 63 3.411 -8.169 -6.793 484 HG1 THR 63 HG1 THR 63 1.180 -7.281 -6.524 485 HG21 THR 63 3HG2 THR 63 2.737 -10.505 -6.764 486 HG22 THR 63 1HG2 THR 63 3.589 -10.239 -5.227 487 HG23 THR 63 2HG2 THR 63 1.834 -10.324 -5.260 488 H PHE 64 H PHE 64 3.814 -8.998 -2.992 489 HA PHE 64 HA PHE 64 6.714 -8.275 -3.296 490 HB2 PHE 64 1HB PHE 64 6.761 -7.080 -1.016 491 HB3 PHE 64 2HB PHE 64 6.067 -6.267 -2.376 492 HD1 PHE 64 HD1 PHE 64 4.448 -8.731 0.134 493 HD2 PHE 64 HD2 PHE 64 4.235 -4.921 -1.854 494 HE1 PHE 64 HE1 PHE 64 2.256 -8.345 1.041 495 HE2 PHE 64 HE2 PHE 64 2.169 -4.429 -0.670 496 HZ PHE 64 HZ PHE 64 1.156 -6.158 0.822 497 H LYS 65 H LYS 65 8.147 -9.203 -1.867 498 HA LYS 65 HA LYS 65 7.090 -11.587 -0.230 499 HB2 LYS 65 1HB LYS 65 9.062 -12.823 -0.696 500 HB3 LYS 65 2HB LYS 65 8.434 -12.191 -2.183 501 HG2 LYS 65 1HG LYS 65 10.199 -10.218 -1.882 502 HG3 LYS 65 2HG LYS 65 10.900 -11.162 -0.604 503 HD2 LYS 65 1HD LYS 65 12.120 -11.443 -2.702 504 HD3 LYS 65 2HD LYS 65 11.499 -12.980 -2.135 505 HE2 LYS 65 1HE LYS 65 11.316 -12.802 -4.564 506 HE3 LYS 65 2HE LYS 65 9.728 -13.025 -3.838 507 HZ1 LYS 65 3HZ LYS 65 9.808 -11.146 -5.625 508 HZ2 LYS 65 1HZ LYS 65 9.257 -10.605 -4.162 509 HZ3 LYS 65 2HZ LYS 65 10.698 -10.201 -4.582 510 H PHE 66 H PHE 66 8.643 -12.293 1.548 511 HA PHE 66 HA PHE 66 8.948 -9.984 3.439 512 HB2 PHE 66 1HB PHE 66 9.125 -11.559 5.192 513 HB3 PHE 66 2HB PHE 66 7.701 -11.818 4.245 514 HD1 PHE 66 HD1 PHE 66 7.478 -13.930 2.833 515 HD2 PHE 66 HD2 PHE 66 10.893 -13.304 5.389 516 HE1 PHE 66 HE1 PHE 66 8.026 -16.324 2.699 517 HE2 PHE 66 HE2 PHE 66 11.426 -15.705 5.245 518 HZ PHE 66 HZ PHE 66 9.994 -17.221 3.906 519 H GLY 67 H GLY 67 10.683 -9.603 1.596 520 HA2 GLY 67 1HA GLY 67 12.967 -8.861 3.179 521 HA3 GLY 67 2HA GLY 67 13.511 -10.252 2.228 522 H GLU 68 H GLU 68 11.473 -7.461 1.570 523 HA GLU 68 HA GLU 68 13.106 -6.678 -0.893 524 HB2 GLU 68 1HB GLU 68 11.404 -8.506 -1.267 525 HB3 GLU 68 2HB GLU 68 10.091 -7.421 -0.801 526 HG2 GLU 68 1HG GLU 68 10.362 -6.081 -2.825 527 HG3 GLU 68 2HG GLU 68 11.968 -6.731 -3.158 528 H GLU 69 H GLU 69 13.046 -4.605 -1.397 529 HA GLU 69 HA GLU 69 11.276 -2.635 0.085 530 HB2 GLU 69 1HB GLU 69 12.563 -0.844 -0.890 531 HB3 GLU 69 2HB GLU 69 13.443 -1.915 0.176 532 HG2 GLU 69 1HG GLU 69 14.643 -2.972 -1.753 533 HG3 GLU 69 2HG GLU 69 13.688 -2.049 -2.906 534 H PHE 70 H PHE 70 9.283 -3.159 -0.772 535 HA PHE 70 HA PHE 70 8.806 -3.282 -3.695 536 HB2 PHE 70 1HB PHE 70 6.649 -3.854 -3.365 537 HB3 PHE 70 2HB PHE 70 7.542 -4.638 -2.099 538 HD1 PHE 70 HD1 PHE 70 5.052 -1.922 -2.857 539 HD2 PHE 70 HD2 PHE 70 7.070 -4.069 0.266 540 HE1 PHE 70 HE1 PHE 70 3.444 -1.051 -1.213 541 HE2 PHE 70 HE2 PHE 70 5.423 -3.237 1.894 542 HZ PHE 70 HZ PHE 70 3.591 -1.736 1.163 543 H ASP 71 H ASP 71 8.019 -1.501 -5.053 544 HA ASP 71 HA ASP 71 7.639 1.157 -3.687 545 HB2 ASP 71 1HB ASP 71 7.955 2.282 -5.627 546 HB3 ASP 71 2HB ASP 71 9.216 1.089 -5.480 547 H GLU 72 H GLU 72 5.889 2.446 -3.698 548 HA GLU 72 HA GLU 72 3.434 1.576 -5.225 549 HB2 GLU 72 1HB GLU 72 1.886 1.578 -3.516 550 HB3 GLU 72 2HB GLU 72 3.204 0.598 -2.964 551 HG2 GLU 72 1HG GLU 72 3.172 1.698 -1.004 552 HG3 GLU 72 2HG GLU 72 3.851 3.106 -1.783 553 H LYS 73 H LYS 73 2.244 3.179 -6.006 554 HA LYS 73 HA LYS 73 3.475 5.976 -5.809 555 HB2 LYS 73 1HB LYS 73 3.777 4.600 -7.928 556 HB3 LYS 73 2HB LYS 73 2.056 4.618 -8.189 557 HG2 LYS 73 1HG LYS 73 3.085 7.421 -7.795 558 HG3 LYS 73 2HG LYS 73 4.103 6.553 -8.911 559 HD2 LYS 73 1HD LYS 73 2.488 7.660 -10.235 560 HD3 LYS 73 2HD LYS 73 2.112 5.942 -10.336 561 HE2 LYS 73 1HE LYS 73 0.258 6.263 -8.583 562 HE3 LYS 73 2HE LYS 73 0.667 7.972 -8.469 563 HZ1 LYS 73 3HZ LYS 73 0.118 8.196 -10.903 564 HZ2 LYS 73 1HZ LYS 73 -0.248 6.600 -11.006 565 HZ3 LYS 73 2HZ LYS 73 -1.187 7.600 -10.097 566 H THR 74 H THR 74 2.271 7.520 -4.896 567 HA THR 74 HA THR 74 -0.571 7.023 -4.373 568 HB THR 74 HB THR 74 -0.415 8.805 -2.807 569 HG1 THR 74 HG1 THR 74 0.934 10.366 -2.826 570 HG21 THR 74 3HG2 THR 74 1.642 8.366 -1.450 571 HG22 THR 74 1HG2 THR 74 0.897 6.838 -1.983 572 HG23 THR 74 2HG2 THR 74 2.354 7.429 -2.785 573 H SER 75 H SER 75 -2.336 8.407 -4.752 574 HA SER 75 HA SER 75 -2.467 10.005 -7.169 575 HB2 SER 75 1HB SER 75 -4.431 8.960 -6.052 576 HB3 SER 75 2HB SER 75 -4.315 10.127 -4.733 577 HG SER 75 HG SER 75 -4.315 11.722 -6.654 578 H ASP 76 H ASP 76 -1.148 11.024 -4.121 579 HA ASP 76 HA ASP 76 -1.153 13.922 -4.663 580 HB2 ASP 76 1HB ASP 76 1.296 12.958 -3.259 581 HB3 ASP 76 2HB ASP 76 0.199 14.222 -2.859 582 H GLY 77 H GLY 77 0.766 11.274 -5.852 583 HA2 GLY 77 1HA GLY 77 2.449 11.361 -7.682 584 HA3 GLY 77 2HA GLY 77 2.702 13.070 -7.382 585 H ARG 78 H ARG 78 2.910 9.998 -5.510 586 HA ARG 78 HA ARG 78 5.798 10.645 -4.780 587 HB2 ARG 78 1HB ARG 78 3.839 9.479 -2.716 588 HB3 ARG 78 2HB ARG 78 5.478 10.031 -2.453 589 HG2 ARG 78 1HG ARG 78 3.076 11.809 -3.164 590 HG3 ARG 78 2HG ARG 78 3.524 11.400 -1.534 591 HD2 ARG 78 1HD ARG 78 5.704 12.584 -1.732 592 HD3 ARG 78 2HD ARG 78 5.452 12.933 -3.429 593 HE ARG 78 HE ARG 78 3.893 14.147 -1.072 594 HH11 ARG 78 1HH1 ARG 78 4.127 13.988 -4.564 595 HH12 ARG 78 2HH1 ARG 78 2.941 15.360 -4.726 596 HH21 ARG 78 1HH2 ARG 78 2.683 15.683 -1.309 597 HH22 ARG 78 2HH2 ARG 78 2.263 16.371 -2.959 598 H ASN 79 H ASN 79 6.761 8.980 -5.890 599 HA ASN 79 HA ASN 79 5.666 6.175 -5.734 600 HB2 ASN 79 1HB ASN 79 6.703 7.296 -7.841 601 HB3 ASN 79 2HB ASN 79 8.276 7.020 -7.120 602 HD21 ASN 79 1HD2 ASN 79 8.839 4.700 -6.775 603 HD22 ASN 79 2HD2 ASN 79 7.923 3.420 -7.742 604 H VAL 80 H VAL 80 5.955 5.300 -3.694 605 HA VAL 80 HA VAL 80 8.560 5.982 -2.205 606 HB VAL 80 HB VAL 80 7.487 5.862 -0.127 607 HG11 VAL 80 1HG1 VAL 80 5.723 7.720 -1.861 608 HG12 VAL 80 2HG1 VAL 80 6.202 7.952 -0.159 609 HG13 VAL 80 3HG1 VAL 80 7.415 8.059 -1.465 610 HG21 VAL 80 3HG2 VAL 80 5.583 4.244 -0.427 611 HG22 VAL 80 1HG2 VAL 80 5.001 5.772 0.243 612 HG23 VAL 80 2HG2 VAL 80 4.723 5.393 -1.474 613 H LYS 81 H LYS 81 9.411 4.342 -0.905 614 HA LYS 81 HA LYS 81 8.821 1.588 -1.983 615 HB2 LYS 81 1HB LYS 81 10.958 0.868 -2.193 616 HB3 LYS 81 2HB LYS 81 10.815 2.389 -3.033 617 HG2 LYS 81 1HG LYS 81 12.001 3.518 -0.992 618 HG3 LYS 81 2HG LYS 81 12.229 1.878 -0.344 619 HD2 LYS 81 1HD LYS 81 13.362 1.216 -2.541 620 HD3 LYS 81 2HD LYS 81 13.255 2.896 -3.081 621 HE2 LYS 81 1HE LYS 81 14.711 3.651 -1.152 622 HE3 LYS 81 2HE LYS 81 14.691 2.006 -0.474 623 HZ1 LYS 81 3HZ LYS 81 16.723 2.215 -1.843 624 HZ2 LYS 81 1HZ LYS 81 15.699 1.112 -2.512 625 HZ3 LYS 81 2HZ LYS 81 15.844 2.613 -3.206 626 H SER 82 H SER 82 9.355 -0.150 -0.506 627 HA SER 82 HA SER 82 9.026 0.531 2.435 628 HB2 SER 82 1HB SER 82 6.983 -0.830 0.606 629 HB3 SER 82 2HB SER 82 6.883 -0.920 2.376 630 HG SER 82 HG SER 82 7.251 1.581 1.129 631 H VAL 83 H VAL 83 10.511 -0.656 3.413 632 HA VAL 83 HA VAL 83 11.441 -3.263 2.302 633 HB VAL 83 HB VAL 83 12.994 -1.610 3.071 634 HG11 VAL 83 1HG1 VAL 83 12.187 -2.166 5.973 635 HG12 VAL 83 2HG1 VAL 83 13.672 -1.352 5.430 636 HG13 VAL 83 3HG1 VAL 83 12.107 -0.632 5.054 637 HG21 VAL 83 3HG2 VAL 83 13.697 -3.981 2.840 638 HG22 VAL 83 1HG2 VAL 83 14.575 -3.186 4.167 639 HG23 VAL 83 2HG2 VAL 83 13.245 -4.308 4.530 640 H VAL 84 H VAL 84 10.293 -5.013 2.578 641 HA VAL 84 HA VAL 84 8.544 -5.484 4.977 642 HB VAL 84 HB VAL 84 9.125 -7.391 2.630 643 HG11 VAL 84 1HG1 VAL 84 7.745 -8.215 4.725 644 HG12 VAL 84 2HG1 VAL 84 6.477 -7.078 4.218 645 HG13 VAL 84 3HG1 VAL 84 6.954 -8.410 3.142 646 HG21 VAL 84 3HG2 VAL 84 7.140 -6.602 1.401 647 HG22 VAL 84 1HG2 VAL 84 6.942 -5.229 2.516 648 HG23 VAL 84 2HG2 VAL 84 8.370 -5.340 1.500 649 H GLU 85 H GLU 85 9.244 -6.570 6.732 650 HA GLU 85 HA GLU 85 10.436 -9.207 6.300 651 HB2 GLU 85 1HB GLU 85 12.445 -7.326 6.807 652 HB3 GLU 85 2HB GLU 85 12.146 -7.908 8.431 653 HG2 GLU 85 1HG GLU 85 12.855 -9.596 5.929 654 HG3 GLU 85 2HG GLU 85 13.959 -9.147 7.214 655 H LYS 86 H LYS 86 10.115 -10.595 7.998 656 HA LYS 86 HA LYS 86 7.986 -9.692 9.935 657 HB2 LYS 86 1HB LYS 86 6.910 -11.577 10.109 658 HB3 LYS 86 2HB LYS 86 7.260 -11.502 8.406 659 HG2 LYS 86 1HG LYS 86 8.753 -13.234 10.484 660 HG3 LYS 86 2HG LYS 86 7.397 -13.762 9.520 661 HD2 LYS 86 1HD LYS 86 8.582 -14.094 7.634 662 HD3 LYS 86 2HD LYS 86 9.465 -12.614 7.722 663 HE2 LYS 86 1HE LYS 86 10.234 -15.057 9.479 664 HE3 LYS 86 2HE LYS 86 10.799 -14.850 7.818 665 HZ1 LYS 86 3HZ LYS 86 11.708 -12.587 8.419 666 HZ2 LYS 86 1HZ LYS 86 11.238 -12.718 9.940 667 HZ3 LYS 86 2HZ LYS 86 12.442 -13.720 9.373 668 H ASN 87 H ASN 87 8.184 -9.884 11.956 669 HA ASN 87 HA ASN 87 10.782 -10.832 13.301 670 HB2 ASN 87 1HB ASN 87 10.067 -8.548 13.920 671 HB3 ASN 87 2HB ASN 87 8.476 -9.099 14.366 672 HD21 ASN 87 1HD2 ASN 87 11.909 -9.593 15.266 673 HD22 ASN 87 2HD2 ASN 87 11.469 -9.809 17.040 674 H SER 88 H SER 88 7.244 -11.204 13.386 675 HA SER 88 HA SER 88 7.664 -14.095 13.076 676 HB2 SER 88 1HB SER 88 6.102 -13.161 15.591 677 HB3 SER 88 2HB SER 88 6.016 -14.804 14.950 678 HG SER 88 HG SER 88 8.575 -13.718 15.285 679 H GLU 89 H GLU 89 5.185 -15.131 12.889 680 HA GLU 89 HA GLU 89 3.794 -13.475 10.827 681 HB2 GLU 89 1HB GLU 89 3.312 -16.291 12.004 682 HB3 GLU 89 2HB GLU 89 2.209 -15.532 10.896 683 HG2 GLU 89 1HG GLU 89 4.165 -15.242 9.201 684 HG3 GLU 89 2HG GLU 89 5.142 -16.230 10.276 685 H SER 90 H SER 90 3.823 -12.841 13.752 686 HA SER 90 HA SER 90 1.348 -11.300 13.417 687 HB2 SER 90 1HB SER 90 0.543 -11.423 15.806 688 HB3 SER 90 2HB SER 90 0.456 -12.984 14.994 689 HG SER 90 HG SER 90 2.484 -13.490 15.997 690 H LYS 91 H LYS 91 4.246 -10.714 13.115 691 HA LYS 91 HA LYS 91 4.074 -8.012 14.266 692 HB2 LYS 91 1HB LYS 91 4.924 -9.483 16.236 693 HB3 LYS 91 2HB LYS 91 6.352 -9.839 15.306 694 HG2 LYS 91 1HG LYS 91 6.843 -8.156 16.913 695 HG3 LYS 91 2HG LYS 91 6.986 -7.380 15.340 696 HD2 LYS 91 1HD LYS 91 4.955 -6.088 15.627 697 HD3 LYS 91 2HD LYS 91 4.284 -7.215 16.782 698 HE2 LYS 91 1HE LYS 91 4.802 -5.222 17.977 699 HE3 LYS 91 2HE LYS 91 5.780 -6.540 18.581 700 HZ1 LYS 91 3HZ LYS 91 7.250 -4.611 18.290 701 HZ2 LYS 91 1HZ LYS 91 7.647 -5.655 17.074 702 HZ3 LYS 91 2HZ LYS 91 6.740 -4.327 16.748 703 H LEU 92 H LEU 92 4.404 -7.300 12.178 704 HA LEU 92 HA LEU 92 7.042 -7.986 10.780 705 HB2 LEU 92 1HB LEU 92 4.936 -9.090 10.047 706 HB3 LEU 92 2HB LEU 92 4.204 -7.560 9.607 707 HG LEU 92 HG LEU 92 6.852 -8.524 8.413 708 HD11 LEU 92 1HD1 LEU 92 4.085 -9.174 7.216 709 HD12 LEU 92 2HD1 LEU 92 5.671 -9.613 6.554 710 HD13 LEU 92 3HD1 LEU 92 5.117 -10.347 8.065 711 HD21 LEU 92 3HD2 LEU 92 6.126 -7.181 6.401 712 HD22 LEU 92 1HD2 LEU 92 4.687 -6.626 7.281 713 HD23 LEU 92 2HD2 LEU 92 6.320 -6.171 7.817 714 H THR 93 H THR 93 8.216 -6.373 9.691 715 HA THR 93 HA THR 93 7.473 -3.561 10.722 716 HB THR 93 HB THR 93 9.278 -4.732 11.909 717 HG1 THR 93 HG1 THR 93 10.329 -2.517 10.538 718 HG21 THR 93 3HG2 THR 93 11.482 -5.081 11.099 719 HG22 THR 93 1HG2 THR 93 10.446 -5.786 9.827 720 HG23 THR 93 2HG2 THR 93 11.208 -4.216 9.574 721 H GLN 94 H GLN 94 6.354 -3.713 8.621 722 HA GLN 94 HA GLN 94 7.801 -3.637 6.111 723 HB2 GLN 94 1HB GLN 94 5.494 -4.506 6.587 724 HB3 GLN 94 2HB GLN 94 4.870 -2.873 6.646 725 HG2 GLN 94 1HG GLN 94 5.403 -2.535 4.241 726 HG3 GLN 94 2HG GLN 94 6.339 -4.018 4.190 727 HE21 GLN 94 1HE2 GLN 94 5.140 -5.443 2.943 728 HE22 GLN 94 2HE2 GLN 94 3.327 -5.627 3.085 729 H THR 95 H THR 95 9.305 -1.930 6.356 730 HA THR 95 HA THR 95 8.313 0.688 7.364 731 HB THR 95 HB THR 95 11.223 -0.117 6.870 732 HG1 THR 95 HG1 THR 95 10.065 -1.504 8.236 733 HG21 THR 95 3HG2 THR 95 9.884 2.159 8.473 734 HG22 THR 95 1HG2 THR 95 11.533 1.595 8.765 735 HG23 THR 95 2HG2 THR 95 11.103 2.306 7.206 736 H GLN 96 H GLN 96 7.831 2.342 6.204 737 HA GLN 96 HA GLN 96 8.140 2.401 3.256 738 HB2 GLN 96 1HB GLN 96 6.538 3.921 5.310 739 HB3 GLN 96 2HB GLN 96 7.054 4.892 3.960 740 HG2 GLN 96 1HG GLN 96 6.006 3.323 2.335 741 HG3 GLN 96 2HG GLN 96 5.504 2.270 3.657 742 HE21 GLN 96 1HE2 GLN 96 5.258 5.786 2.742 743 HE22 GLN 96 2HE2 GLN 96 3.509 5.838 3.308 744 H VAL 97 H VAL 97 9.662 3.413 2.072 745 HA VAL 97 HA VAL 97 11.572 5.404 3.439 746 HB VAL 97 HB VAL 97 12.150 3.134 1.455 747 HG11 VAL 97 1HG1 VAL 97 13.445 5.088 0.619 748 HG12 VAL 97 2HG1 VAL 97 13.864 5.545 2.276 749 HG13 VAL 97 3HG1 VAL 97 14.577 4.075 1.546 750 HG21 VAL 97 3HG2 VAL 97 13.760 2.396 3.189 751 HG22 VAL 97 1HG2 VAL 97 13.417 3.823 4.203 752 HG23 VAL 97 2HG2 VAL 97 12.172 2.587 3.961 753 H ASP 98 H ASP 98 10.086 6.951 2.891 754 HA ASP 98 HA ASP 98 9.272 7.554 0.167 755 HB2 ASP 98 1HB ASP 98 8.864 9.139 2.787 756 HB3 ASP 98 2HB ASP 98 7.779 9.103 1.436 757 HA PRO 99 HA PRO 99 12.046 11.344 -0.317 758 HB2 PRO 99 1HB PRO 99 10.325 13.443 -1.045 759 HB3 PRO 99 2HB PRO 99 10.848 12.134 -2.127 760 HG2 PRO 99 1HG PRO 99 8.251 12.237 -0.473 761 HG3 PRO 99 2HG PRO 99 8.405 11.939 -2.227 762 HD2 PRO 99 1HD PRO 99 8.167 9.859 -0.479 763 HD3 PRO 99 2HD PRO 99 9.300 9.696 -1.852 764 H LYS 100 H LYS 100 9.840 11.118 2.123 765 HA LYS 100 HA LYS 100 11.486 13.091 3.778 766 HB2 LYS 100 1HB LYS 100 8.541 13.054 3.577 767 HB3 LYS 100 2HB LYS 100 8.935 12.482 5.155 768 HG2 LYS 100 1HG LYS 100 10.038 15.107 3.977 769 HG3 LYS 100 2HG LYS 100 8.545 14.971 4.897 770 HD2 LYS 100 1HD LYS 100 9.798 13.991 6.862 771 HD3 LYS 100 2HD LYS 100 11.322 14.176 6.030 772 HE2 LYS 100 1HE LYS 100 9.387 16.515 6.715 773 HE3 LYS 100 2HE LYS 100 10.718 15.992 7.748 774 HZ1 LYS 100 3HZ LYS 100 11.085 16.983 4.916 775 HZ2 LYS 100 1HZ LYS 100 11.466 17.852 6.261 776 HZ3 LYS 100 2HZ LYS 100 12.305 16.486 5.884 777 H ASN 101 H ASN 101 11.102 9.833 3.317 778 HA ASN 101 HA ASN 101 11.368 7.886 4.538 779 HB2 ASN 101 1HB ASN 101 13.034 9.651 6.413 780 HB3 ASN 101 2HB ASN 101 12.995 7.909 6.470 781 HD21 ASN 101 1HD2 ASN 101 14.008 6.724 4.754 782 HD22 ASN 101 2HD2 ASN 101 15.155 7.620 3.622 783 H THR 102 H THR 102 9.777 6.762 5.468 784 HA THR 102 HA THR 102 8.344 7.845 7.885 785 HB THR 102 HB THR 102 7.870 5.272 6.333 786 HG1 THR 102 HG1 THR 102 7.423 6.983 4.934 787 HG21 THR 102 3HG2 THR 102 5.639 5.216 7.278 788 HG22 THR 102 1HG2 THR 102 6.710 5.397 8.685 789 HG23 THR 102 2HG2 THR 102 5.823 6.798 8.030 790 H THR 103 H THR 103 8.488 6.883 9.949 791 HA THR 103 HA THR 103 10.968 5.288 10.450 792 HB THR 103 HB THR 103 8.984 6.703 12.274 793 HG1 THR 103 HG1 THR 103 11.618 7.323 11.412 794 HG21 THR 103 3HG2 THR 103 11.799 5.637 13.025 795 HG22 THR 103 1HG2 THR 103 10.671 6.546 14.062 796 HG23 THR 103 2HG2 THR 103 10.270 4.898 13.540 797 H VAL 104 H VAL 104 11.019 3.252 11.349 798 HA VAL 104 HA VAL 104 9.689 1.214 10.405 799 HB VAL 104 HB VAL 104 10.103 -0.271 12.275 800 HG11 VAL 104 1HG1 VAL 104 11.851 0.137 10.577 801 HG12 VAL 104 2HG1 VAL 104 12.502 1.507 11.506 802 HG13 VAL 104 3HG1 VAL 104 12.575 -0.142 12.164 803 HG21 VAL 104 3HG2 VAL 104 11.267 2.166 13.799 804 HG22 VAL 104 1HG2 VAL 104 9.841 1.238 14.296 805 HG23 VAL 104 2HG2 VAL 104 11.427 0.457 14.264 806 H ILE 105 H ILE 105 7.648 1.003 9.907 807 HA ILE 105 HA ILE 105 5.522 1.573 11.878 808 HB ILE 105 HB ILE 105 3.957 1.497 10.080 809 HG12 ILE 105 1HG1 ILE 105 4.860 1.473 7.650 810 HG13 ILE 105 2HG1 ILE 105 6.219 0.541 8.236 811 HG21 ILE 105 1HG2 ILE 105 6.520 3.036 9.275 812 HG22 ILE 105 2HG2 ILE 105 4.881 3.447 8.789 813 HG23 ILE 105 3HG2 ILE 105 5.361 3.579 10.495 814 HD11 ILE 105 3HD1 ILE 105 3.311 -0.403 8.699 815 HD12 ILE 105 1HD1 ILE 105 4.186 -0.689 7.176 816 HD13 ILE 105 2HD1 ILE 105 4.796 -1.379 8.688 817 H VAL 106 H VAL 106 6.684 -0.431 12.915 818 HA VAL 106 HA VAL 106 6.176 -3.072 12.439 819 HB VAL 106 HB VAL 106 6.104 -3.559 14.935 820 HG11 VAL 106 1HG1 VAL 106 8.220 -3.612 13.665 821 HG12 VAL 106 2HG1 VAL 106 8.435 -1.861 13.838 822 HG13 VAL 106 3HG1 VAL 106 8.511 -2.910 15.266 823 HG21 VAL 106 3HG2 VAL 106 6.809 -0.589 15.379 824 HG22 VAL 106 1HG2 VAL 106 5.148 -1.152 15.493 825 HG23 VAL 106 2HG2 VAL 106 6.393 -1.827 16.591 826 H ARG 107 H ARG 107 4.564 -4.157 11.867 827 HA ARG 107 HA ARG 107 1.777 -3.478 12.779 828 HB2 ARG 107 1HB ARG 107 0.832 -4.354 10.948 829 HB3 ARG 107 2HB ARG 107 2.147 -3.264 10.516 830 HG2 ARG 107 1HG ARG 107 3.490 -5.182 9.654 831 HG3 ARG 107 2HG ARG 107 2.342 -6.331 10.323 832 HD2 ARG 107 1HD ARG 107 1.763 -6.309 8.098 833 HD3 ARG 107 2HD ARG 107 0.508 -5.323 8.786 834 HE ARG 107 HE ARG 107 2.573 -4.500 6.775 835 HH11 ARG 107 1HH1 ARG 107 0.462 -3.153 9.173 836 HH12 ARG 107 2HH1 ARG 107 0.334 -1.575 8.264 837 HH21 ARG 107 1HH2 ARG 107 2.390 -2.788 5.774 838 HH22 ARG 107 2HH2 ARG 107 1.465 -1.356 6.450 839 H GLU 108 H GLU 108 1.042 -4.475 14.489 840 HA GLU 108 HA GLU 108 1.710 -7.416 15.004 841 HB2 GLU 108 1HB GLU 108 2.443 -5.543 16.591 842 HB3 GLU 108 2HB GLU 108 0.758 -5.191 16.933 843 HG2 GLU 108 1HG GLU 108 0.464 -7.411 18.042 844 HG3 GLU 108 2HG GLU 108 2.075 -7.927 17.539 845 H VAL 109 H VAL 109 -0.125 -8.556 16.257 846 HA VAL 109 HA VAL 109 -2.871 -7.546 15.694 847 HB VAL 109 HB VAL 109 -2.494 -8.694 13.659 848 HG11 VAL 109 1HG1 VAL 109 -2.225 -11.148 13.383 849 HG12 VAL 109 2HG1 VAL 109 -0.857 -10.417 14.243 850 HG13 VAL 109 3HG1 VAL 109 -2.065 -11.357 15.148 851 HG21 VAL 109 3HG2 VAL 109 -4.554 -10.330 15.246 852 HG22 VAL 109 1HG2 VAL 109 -4.828 -8.721 14.548 853 HG23 VAL 109 2HG2 VAL 109 -4.490 -10.098 13.489 854 H ASP 110 H ASP 110 -4.119 -7.733 17.343 855 HA ASP 110 HA ASP 110 -3.493 -9.755 19.527 856 HB2 ASP 110 1HB ASP 110 -4.895 -7.034 19.360 857 HB3 ASP 110 2HB ASP 110 -5.388 -8.084 20.631 858 H GLY 111 H GLY 111 -4.582 -10.961 17.324 859 HA2 GLY 111 1HA GLY 111 -6.239 -12.745 16.972 860 HA3 GLY 111 2HA GLY 111 -7.034 -12.275 18.457 861 H ASP 112 H ASP 112 -6.852 -11.723 15.036 862 HA ASP 112 HA ASP 112 -8.016 -10.363 13.516 863 HB2 ASP 112 1HB ASP 112 -10.360 -11.200 15.323 864 HB3 ASP 112 2HB ASP 112 -10.593 -10.317 13.826 865 H THR 113 H THR 113 -6.827 -8.795 15.626 866 HA THR 113 HA THR 113 -8.135 -6.203 14.947 867 HB THR 113 HB THR 113 -9.219 -6.965 17.055 868 HG1 THR 113 HG1 THR 113 -7.851 -4.467 17.094 869 HG21 THR 113 3HG2 THR 113 -8.277 -6.464 19.219 870 HG22 THR 113 1HG2 THR 113 -7.317 -7.742 18.462 871 HG23 THR 113 2HG2 THR 113 -6.673 -6.092 18.559 872 H MET 114 H MET 114 -6.481 -6.108 13.648 873 HA MET 114 HA MET 114 -3.675 -6.369 14.256 874 HB2 MET 114 1HB MET 114 -4.999 -4.900 11.959 875 HB3 MET 114 2HB MET 114 -3.275 -5.111 12.121 876 HG2 MET 114 1HG MET 114 -4.003 -7.771 12.333 877 HG3 MET 114 2HG MET 114 -5.355 -7.167 11.380 878 HE1 MET 114 3HE MET 114 -0.861 -7.224 10.145 879 HE2 MET 114 1HE MET 114 -1.341 -6.295 11.595 880 HE3 MET 114 2HE MET 114 -1.568 -8.061 11.547 881 H LYS 115 H LYS 115 -2.773 -5.246 15.713 882 HA LYS 115 HA LYS 115 -3.306 -2.269 16.213 883 HB2 LYS 115 1HB LYS 115 -3.417 -3.995 18.023 884 HB3 LYS 115 2HB LYS 115 -1.768 -4.500 17.683 885 HG2 LYS 115 1HG LYS 115 -1.307 -1.813 18.285 886 HG3 LYS 115 2HG LYS 115 -2.781 -2.062 19.209 887 HD2 LYS 115 1HD LYS 115 -0.211 -3.777 19.282 888 HD3 LYS 115 2HD LYS 115 -0.578 -2.525 20.455 889 HE2 LYS 115 1HE LYS 115 -2.281 -3.796 21.570 890 HE3 LYS 115 2HE LYS 115 -2.655 -4.755 20.164 891 HZ1 LYS 115 3HZ LYS 115 -1.404 -6.343 21.015 892 HZ2 LYS 115 1HZ LYS 115 -0.013 -5.530 20.571 893 HZ3 LYS 115 2HZ LYS 115 -0.615 -5.391 22.130 894 H THR 116 H THR 116 -2.151 -1.278 14.472 895 HA THR 116 HA THR 116 0.747 -2.089 14.026 896 HB THR 116 HB THR 116 0.539 -1.849 11.789 897 HG1 THR 116 HG1 THR 116 -0.930 0.100 12.157 898 HG21 THR 116 3HG2 THR 116 -1.239 -3.325 10.999 899 HG22 THR 116 1HG2 THR 116 -0.832 -3.895 12.633 900 HG23 THR 116 2HG2 THR 116 -2.287 -2.919 12.362 901 H THR 117 H THR 117 1.962 -0.692 14.841 902 HA THR 117 HA THR 117 1.147 2.100 15.479 903 HB THR 117 HB THR 117 3.855 0.659 15.851 904 HG1 THR 117 HG1 THR 117 1.959 -0.316 16.849 905 HG21 THR 117 3HG2 THR 117 4.029 3.153 16.319 906 HG22 THR 117 1HG2 THR 117 2.636 3.028 17.425 907 HG23 THR 117 2HG2 THR 117 4.164 2.205 17.812 908 H VAL 118 H VAL 118 1.074 3.466 13.694 909 HA VAL 118 HA VAL 118 3.481 3.467 11.849 910 HB VAL 118 HB VAL 118 1.315 3.128 10.902 911 HG11 VAL 118 1HG1 VAL 118 -0.166 4.738 12.078 912 HG12 VAL 118 2HG1 VAL 118 0.677 6.099 11.282 913 HG13 VAL 118 3HG1 VAL 118 -0.202 4.935 10.310 914 HG21 VAL 118 3HG2 VAL 118 1.783 5.098 9.030 915 HG22 VAL 118 1HG2 VAL 118 3.298 5.212 9.957 916 HG23 VAL 118 2HG2 VAL 118 2.783 3.669 9.236 917 H THR 119 H THR 119 5.127 4.507 12.768 918 HA THR 119 HA THR 119 4.679 7.341 13.852 919 HB THR 119 HB THR 119 5.473 5.853 15.557 920 HG1 THR 119 HG1 THR 119 7.463 6.874 16.026 921 HG21 THR 119 3HG2 THR 119 6.628 4.028 14.304 922 HG22 THR 119 1HG2 THR 119 7.900 5.142 13.798 923 HG23 THR 119 2HG2 THR 119 7.699 4.728 15.526 924 H VAL 120 H VAL 120 6.179 8.957 13.404 925 HA VAL 120 HA VAL 120 8.243 8.521 11.197 926 HB VAL 120 HB VAL 120 6.293 10.884 10.962 927 HG11 VAL 120 1HG1 VAL 120 8.460 11.196 9.811 928 HG12 VAL 120 2HG1 VAL 120 8.361 9.617 9.043 929 HG13 VAL 120 3HG1 VAL 120 7.225 10.884 8.570 930 HG21 VAL 120 3HG2 VAL 120 6.020 8.118 9.723 931 HG22 VAL 120 1HG2 VAL 120 4.875 9.011 10.739 932 HG23 VAL 120 2HG2 VAL 120 5.161 9.577 9.072 933 H GLY 121 H GLY 121 9.733 8.758 12.824 934 HA2 GLY 121 1HA GLY 121 11.101 9.840 14.489 935 HA3 GLY 121 2HA GLY 121 10.539 11.377 13.866 936 H ASP 122 H ASP 122 8.040 11.381 14.450 937 HA ASP 122 HA ASP 122 7.819 11.563 17.476 938 HB2 ASP 122 1HB ASP 122 7.733 14.067 17.322 939 HB3 ASP 122 2HB ASP 122 9.241 13.435 16.701 940 H VAL 123 H VAL 123 6.023 10.110 15.916 941 HA VAL 123 HA VAL 123 3.435 11.647 16.483 942 HB VAL 123 HB VAL 123 3.894 10.136 13.825 943 HG11 VAL 123 1HG1 VAL 123 1.427 11.621 15.031 944 HG12 VAL 123 2HG1 VAL 123 1.581 11.290 13.312 945 HG13 VAL 123 3HG1 VAL 123 1.489 9.940 14.460 946 HG21 VAL 123 3HG2 VAL 123 3.574 13.174 14.404 947 HG22 VAL 123 1HG2 VAL 123 5.030 12.369 13.792 948 HG23 VAL 123 2HG2 VAL 123 3.561 12.430 12.784 949 H THR 124 H THR 124 4.523 8.369 15.628 950 HA THR 124 HA THR 124 3.580 6.285 16.119 951 HB THR 124 HB THR 124 3.605 7.690 18.814 952 HG1 THR 124 HG1 THR 124 5.635 6.631 18.912 953 HG21 THR 124 3HG2 THR 124 3.932 5.536 19.934 954 HG22 THR 124 1HG2 THR 124 2.440 5.358 19.009 955 HG23 THR 124 2HG2 THR 124 3.954 4.656 18.403 956 H ALA 125 H ALA 125 1.794 6.328 14.800 957 HA ALA 125 HA ALA 125 -0.880 6.942 16.120 958 HB1 ALA 125 3HB ALA 125 0.081 6.672 13.229 959 HB2 ALA 125 1HB ALA 125 -1.638 6.716 13.596 960 HB3 ALA 125 2HB ALA 125 -0.572 8.073 14.037 961 H ILE 126 H ILE 126 -1.073 5.279 17.430 962 HA ILE 126 HA ILE 126 -0.547 2.544 16.830 963 HB ILE 126 HB ILE 126 -0.364 3.609 18.983 964 HG12 ILE 126 1HG1 ILE 126 -1.355 1.772 20.448 965 HG13 ILE 126 2HG1 ILE 126 -2.148 1.096 19.029 966 HG21 ILE 126 1HG2 ILE 126 -2.243 3.902 20.575 967 HG22 ILE 126 2HG2 ILE 126 -2.372 4.999 19.206 968 HG23 ILE 126 3HG2 ILE 126 -3.437 3.575 19.299 969 HD11 ILE 126 3HD1 ILE 126 0.909 1.627 19.228 970 HD12 ILE 126 1HD1 ILE 126 0.147 0.067 19.602 971 HD13 ILE 126 2HD1 ILE 126 0.077 0.715 17.948 972 H ARG 127 H ARG 127 -1.591 2.291 14.835 973 HA ARG 127 HA ARG 127 -4.427 2.727 14.513 974 HB2 ARG 127 1HB ARG 127 -2.595 1.083 12.685 975 HB3 ARG 127 2HB ARG 127 -4.261 1.439 12.312 976 HG2 ARG 127 1HG ARG 127 -3.855 3.875 12.244 977 HG3 ARG 127 2HG ARG 127 -2.198 3.653 12.788 978 HD2 ARG 127 1HD ARG 127 -2.153 3.993 10.412 979 HD3 ARG 127 2HD ARG 127 -1.615 2.343 10.750 980 HE ARG 127 HE ARG 127 -4.503 2.342 10.174 981 HH11 ARG 127 1HH1 ARG 127 -1.506 2.819 8.490 982 HH12 ARG 127 2HH1 ARG 127 -2.187 2.164 6.924 983 HH21 ARG 127 1HH2 ARG 127 -5.225 1.522 8.403 984 HH22 ARG 127 2HH2 ARG 127 -4.197 1.459 6.907 985 H ASN 128 H ASN 128 -6.075 1.519 15.210 986 HA ASN 128 HA ASN 128 -5.805 -1.510 15.409 987 HB2 ASN 128 1HB ASN 128 -6.890 0.097 17.246 988 HB3 ASN 128 2HB ASN 128 -8.290 0.128 16.189 989 HD21 ASN 128 1HD2 ASN 128 -9.292 -0.837 18.082 990 HD22 ASN 128 2HD2 ASN 128 -9.082 -2.635 18.378 991 H TYR 129 H TYR 129 -6.488 -2.682 13.697 992 HA TYR 129 HA TYR 129 -9.029 -1.971 12.242 993 HB2 TYR 129 1HB TYR 129 -8.097 -2.190 9.994 994 HB3 TYR 129 2HB TYR 129 -7.598 -0.788 10.892 995 HD1 TYR 129 HD1 TYR 129 -6.330 -4.207 9.968 996 HD2 TYR 129 HD2 TYR 129 -5.337 -0.097 10.788 997 HE1 TYR 129 HE1 TYR 129 -4.077 -4.586 9.166 998 HE2 TYR 129 HE2 TYR 129 -3.077 -0.478 9.851 999 HH TYR 129 HH TYR 129 -2.276 -3.627 8.406 1000 H LYS 130 H LYS 130 -9.909 -3.676 10.928 1001 HA LYS 130 HA LYS 130 -9.461 -6.222 12.577 1002 HB2 LYS 130 1HB LYS 130 -11.968 -4.927 11.421 1003 HB3 LYS 130 2HB LYS 130 -11.935 -6.664 11.559 1004 HG2 LYS 130 1HG LYS 130 -12.979 -5.619 13.506 1005 HG3 LYS 130 2HG LYS 130 -11.666 -6.712 13.909 1006 HD2 LYS 130 1HD LYS 130 -10.117 -4.884 14.394 1007 HD3 LYS 130 2HD LYS 130 -11.203 -3.665 13.789 1008 HE2 LYS 130 1HE LYS 130 -11.940 -5.497 16.188 1009 HE3 LYS 130 2HE LYS 130 -10.915 -4.084 16.390 1010 HZ1 LYS 130 3HZ LYS 130 -12.674 -2.613 15.564 1011 HZ2 LYS 130 1HZ LYS 130 -13.654 -3.871 15.145 1012 HZ3 LYS 130 2HZ LYS 130 -13.359 -3.551 16.733 1013 H ARG 131 H ARG 131 -9.084 -8.059 11.759 1014 HA ARG 131 HA ARG 131 -8.340 -8.494 8.876 1015 HB2 ARG 131 1HB ARG 131 -7.087 -9.511 10.808 1016 HB3 ARG 131 2HB ARG 131 -8.525 -10.422 11.257 1017 HG2 ARG 131 1HG ARG 131 -8.413 -11.521 8.873 1018 HG3 ARG 131 2HG ARG 131 -6.876 -10.720 8.662 1019 HD2 ARG 131 1HD ARG 131 -6.420 -12.956 9.318 1020 HD3 ARG 131 2HD ARG 131 -5.952 -11.950 10.703 1021 HE ARG 131 HE ARG 131 -8.601 -12.670 11.444 1022 HH11 ARG 131 1HH1 ARG 131 -5.804 -14.612 10.533 1023 HH12 ARG 131 2HH1 ARG 131 -6.529 -16.060 11.387 1024 HH21 ARG 131 1HH2 ARG 131 -9.104 -14.190 12.648 1025 HH22 ARG 131 2HH2 ARG 131 -8.306 -15.828 12.506 1026 H LEU 132 H LEU 132 -9.995 -8.465 7.499 1027 HA LEU 132 HA LEU 132 -12.568 -9.962 8.151 1028 HB2 LEU 132 1HB LEU 132 -12.000 -7.640 6.235 1029 HB3 LEU 132 2HB LEU 132 -13.581 -8.395 6.475 1030 HG LEU 132 HG LEU 132 -11.930 -6.709 8.430 1031 HD11 LEU 132 1HD1 LEU 132 -13.197 -5.502 6.636 1032 HD12 LEU 132 2HD1 LEU 132 -14.715 -6.290 7.141 1033 HD13 LEU 132 3HD1 LEU 132 -13.893 -5.153 8.234 1034 HD21 LEU 132 3HD2 LEU 132 -12.992 -8.392 9.867 1035 HD22 LEU 132 1HD2 LEU 132 -13.899 -6.883 10.043 1036 HD23 LEU 132 2HD2 LEU 132 -14.572 -8.202 9.059 1037 H SER 133 H SER 133 -13.369 -11.427 6.857 1038 HA SER 133 HA SER 133 -11.799 -12.421 4.442 1039 HB2 SER 133 1HB SER 133 -13.144 -14.461 4.628 1040 HB3 SER 133 2HB SER 133 -12.420 -14.059 6.186 1041 HG SER 133 HG SER 133 -14.622 -14.630 6.390 1042 HXT SER 133 HXT SER 133 -14.645 -12.457 3.662 Start of MODEL 14 1 H1 MET 1 1H MET 1 2.132 -12.701 7.298 2 H2 MET 1 2H MET 1 3.135 -13.980 7.349 3 HA MET 1 HA MET 1 1.819 -12.999 4.883 4 HB2 MET 1 1HB MET 1 3.266 -15.670 5.407 5 HB3 MET 1 2HB MET 1 2.381 -15.263 3.946 6 HG2 MET 1 1HG MET 1 4.021 -13.399 3.456 7 HG3 MET 1 2HG MET 1 4.928 -13.803 4.917 8 HE1 MET 1 3HE MET 1 6.361 -15.859 5.292 9 HE2 MET 1 1HE MET 1 5.105 -17.104 5.045 10 HE3 MET 1 2HE MET 1 6.625 -17.180 4.119 11 H SER 2 H SER 2 1.677 -16.081 6.666 12 HA SER 2 HA SER 2 -1.066 -16.402 5.812 13 HB2 SER 2 1HB SER 2 0.648 -18.222 7.610 14 HB3 SER 2 2HB SER 2 -0.888 -18.678 6.855 15 HG SER 2 HG SER 2 0.905 -19.293 5.588 16 H SER 3 H SER 3 0.083 -15.813 9.137 17 HA SER 3 HA SER 3 -2.435 -16.470 10.500 18 HB2 SER 3 1HB SER 3 -0.374 -16.395 11.737 19 HB3 SER 3 2HB SER 3 -0.050 -14.725 11.290 20 HG SER 3 HG SER 3 -1.064 -14.189 13.011 21 H PHE 4 H PHE 4 -1.412 -13.399 9.020 22 HA PHE 4 HA PHE 4 -4.194 -12.278 9.642 23 HB2 PHE 4 1HB PHE 4 -3.377 -10.064 9.557 24 HB3 PHE 4 2HB PHE 4 -2.631 -11.036 10.805 25 HD1 PHE 4 HD1 PHE 4 -0.737 -11.697 7.706 26 HD2 PHE 4 HD2 PHE 4 -1.432 -8.783 10.833 27 HE1 PHE 4 HE1 PHE 4 1.326 -10.590 7.148 28 HE2 PHE 4 HE2 PHE 4 0.675 -7.705 10.271 29 HZ PHE 4 HZ PHE 4 2.048 -8.560 8.371 30 H LEU 5 H LEU 5 -3.867 -13.976 7.406 31 HA LEU 5 HA LEU 5 -4.165 -12.475 4.948 32 HB2 LEU 5 1HB LEU 5 -5.363 -15.176 5.795 33 HB3 LEU 5 2HB LEU 5 -5.512 -14.531 4.174 34 HG LEU 5 HG LEU 5 -2.777 -14.953 5.502 35 HD11 LEU 5 1HD1 LEU 5 -3.986 -17.150 5.373 36 HD12 LEU 5 2HD1 LEU 5 -4.357 -16.881 3.652 37 HD13 LEU 5 3HD1 LEU 5 -2.676 -17.107 4.184 38 HD21 LEU 5 3HD2 LEU 5 -1.912 -14.938 3.174 39 HD22 LEU 5 1HD2 LEU 5 -3.547 -14.645 2.528 40 HD23 LEU 5 2HD2 LEU 5 -2.723 -13.412 3.515 41 H GLY 6 H GLY 6 -5.771 -11.237 4.172 42 HA2 GLY 6 1HA GLY 6 -8.401 -11.468 3.787 43 HA3 GLY 6 2HA GLY 6 -8.505 -11.121 5.521 44 H LYS 7 H LYS 7 -9.897 -9.497 4.367 45 HA LYS 7 HA LYS 7 -8.385 -6.997 3.589 46 HB2 LYS 7 1HB LYS 7 -10.417 -5.902 2.912 47 HB3 LYS 7 2HB LYS 7 -10.082 -7.318 1.995 48 HG2 LYS 7 1HG LYS 7 -11.868 -8.164 4.142 49 HG3 LYS 7 2HG LYS 7 -12.445 -6.606 3.617 50 HD2 LYS 7 1HD LYS 7 -13.627 -8.314 2.435 51 HD3 LYS 7 2HD LYS 7 -12.645 -7.452 1.250 52 HE2 LYS 7 1HE LYS 7 -10.961 -9.299 1.183 53 HE3 LYS 7 2HE LYS 7 -11.697 -10.101 2.574 54 HZ1 LYS 7 3HZ LYS 7 -13.361 -9.630 0.115 55 HZ2 LYS 7 1HZ LYS 7 -12.409 -10.973 0.231 56 HZ3 LYS 7 2HZ LYS 7 -13.595 -10.722 1.341 57 H TRP 8 H TRP 8 -8.631 -5.046 4.770 58 HA TRP 8 HA TRP 8 -9.367 -5.539 7.698 59 HB2 TRP 8 1HB TRP 8 -6.920 -4.039 6.525 60 HB3 TRP 8 2HB TRP 8 -7.327 -4.123 8.226 61 HD1 TRP 8 HD1 TRP 8 -7.431 -7.774 6.868 62 HE1 TRP 8 HE1 TRP 8 -5.123 -8.987 7.206 63 HE3 TRP 8 HE3 TRP 8 -4.751 -3.642 8.402 64 HZ2 TRP 8 HZ2 TRP 8 -2.590 -8.147 8.074 65 HZ3 TRP 8 HZ3 TRP 8 -2.368 -3.959 9.022 66 HH2 TRP 8 HH2 TRP 8 -1.308 -6.173 8.866 67 H LYS 9 H LYS 9 -10.759 -3.940 8.438 68 HA LYS 9 HA LYS 9 -10.750 -1.286 6.948 69 HB2 LYS 9 1HB LYS 9 -13.002 -0.890 7.262 70 HB3 LYS 9 2HB LYS 9 -12.862 -2.467 6.515 71 HG2 LYS 9 1HG LYS 9 -13.389 -3.587 8.713 72 HG3 LYS 9 2HG LYS 9 -13.385 -2.029 9.537 73 HD2 LYS 9 1HD LYS 9 -15.283 -1.238 7.945 74 HD3 LYS 9 2HD LYS 9 -15.317 -2.847 7.273 75 HE2 LYS 9 1HE LYS 9 -17.037 -2.986 8.865 76 HE3 LYS 9 2HE LYS 9 -15.698 -3.753 9.719 77 HZ1 LYS 9 3HZ LYS 9 -15.259 -1.500 10.814 78 HZ2 LYS 9 1HZ LYS 9 -16.544 -0.854 10.046 79 HZ3 LYS 9 2HZ LYS 9 -16.779 -2.024 11.176 80 H LEU 10 H LEU 10 -10.700 0.520 8.183 81 HA LEU 10 HA LEU 10 -9.135 0.322 10.582 82 HB2 LEU 10 1HB LEU 10 -9.101 2.133 8.790 83 HB3 LEU 10 2HB LEU 10 -10.591 2.782 9.467 84 HG LEU 10 HG LEU 10 -9.293 3.051 11.720 85 HD11 LEU 10 1HD1 LEU 10 -6.826 2.658 9.889 86 HD12 LEU 10 2HD1 LEU 10 -6.820 3.210 11.580 87 HD13 LEU 10 3HD1 LEU 10 -7.308 1.558 11.199 88 HD21 LEU 10 3HD2 LEU 10 -8.183 5.179 10.887 89 HD22 LEU 10 1HD2 LEU 10 -8.393 4.647 9.210 90 HD23 LEU 10 2HD2 LEU 10 -9.816 4.994 10.223 91 H SER 11 H SER 11 -9.605 0.296 12.655 92 HA SER 11 HA SER 11 -12.495 0.276 13.575 93 HB2 SER 11 1HB SER 11 -11.096 -1.821 13.844 94 HB3 SER 11 2HB SER 11 -10.094 -0.954 14.999 95 HG SER 11 HG SER 11 -12.138 -0.485 16.139 96 H GLU 12 H GLU 12 -9.424 1.767 14.298 97 HA GLU 12 HA GLU 12 -10.865 4.002 15.569 98 HB2 GLU 12 1HB GLU 12 -9.782 4.154 17.673 99 HB3 GLU 12 2HB GLU 12 -10.343 2.514 17.534 100 HG2 GLU 12 1HG GLU 12 -8.265 1.945 18.251 101 HG3 GLU 12 2HG GLU 12 -7.808 2.118 16.568 102 H SER 13 H SER 13 -9.457 5.879 15.829 103 HA SER 13 HA SER 13 -6.997 5.854 14.036 104 HB2 SER 13 1HB SER 13 -8.852 6.502 12.554 105 HB3 SER 13 2HB SER 13 -9.491 7.674 13.711 106 HG SER 13 HG SER 13 -7.696 8.961 13.403 107 H HIS 14 H HIS 14 -6.013 5.955 16.118 108 HA HIS 14 HA HIS 14 -6.504 7.956 18.015 109 HB2 HIS 14 1HB HIS 14 -4.975 5.653 18.009 110 HB3 HIS 14 2HB HIS 14 -3.691 6.817 18.088 111 HD1 HIS 14 HD1 HIS 14 -6.388 5.150 19.946 112 HD2 HIS 14 HD2 HIS 14 -3.993 8.695 20.441 113 HE1 HIS 14 HE1 HIS 14 -6.488 5.984 22.464 114 HE2 HIS 14 HE2 HIS 14 -5.079 8.135 22.819 115 H ASN 15 H ASN 15 -3.560 8.047 16.082 116 HA ASN 15 HA ASN 15 -3.720 11.088 16.090 117 HB2 ASN 15 1HB ASN 15 -1.106 9.452 16.251 118 HB3 ASN 15 2HB ASN 15 -1.206 11.188 15.991 119 HD21 ASN 15 1HD2 ASN 15 0.372 10.257 17.973 120 HD22 ASN 15 2HD2 ASN 15 -0.437 10.732 19.554 121 H PHE 16 H PHE 16 -4.635 8.831 14.219 122 HA PHE 16 HA PHE 16 -2.790 9.000 11.911 123 HB2 PHE 16 1HB PHE 16 -3.948 6.940 12.655 124 HB3 PHE 16 2HB PHE 16 -5.508 7.627 12.303 125 HD1 PHE 16 HD1 PHE 16 -2.217 7.043 10.561 126 HD2 PHE 16 HD2 PHE 16 -6.493 6.924 10.248 127 HE1 PHE 16 HE1 PHE 16 -2.029 6.170 8.226 128 HE2 PHE 16 HE2 PHE 16 -6.316 5.976 7.988 129 HZ PHE 16 HZ PHE 16 -4.106 5.604 6.954 130 H ASP 17 H ASP 17 -3.094 11.434 11.926 131 HA ASP 17 HA ASP 17 -4.513 11.913 9.319 132 HB2 ASP 17 1HB ASP 17 -5.881 13.566 9.883 133 HB3 ASP 17 2HB ASP 17 -5.931 12.699 11.367 134 H ALA 18 H ALA 18 -2.298 13.515 11.579 135 HA ALA 18 HA ALA 18 -0.890 14.893 9.287 136 HB1 ALA 18 3HB ALA 18 -1.479 16.014 11.622 137 HB2 ALA 18 1HB ALA 18 -0.172 14.978 12.296 138 HB3 ALA 18 2HB ALA 18 0.198 16.220 11.076 139 H VAL 19 H VAL 19 -0.412 12.109 10.915 140 HA VAL 19 HA VAL 19 2.418 11.649 11.129 141 HB VAL 19 HB VAL 19 0.635 10.222 12.027 142 HG11 VAL 19 1HG1 VAL 19 -0.575 8.527 10.869 143 HG12 VAL 19 2HG1 VAL 19 -0.974 10.065 10.097 144 HG13 VAL 19 3HG1 VAL 19 0.130 8.923 9.290 145 HG21 VAL 19 3HG2 VAL 19 2.925 9.269 11.885 146 HG22 VAL 19 1HG2 VAL 19 1.699 8.026 11.687 147 HG23 VAL 19 2HG2 VAL 19 2.580 8.598 10.267 148 H MET 20 H MET 20 0.460 11.142 8.333 149 HA MET 20 HA MET 20 2.962 10.873 6.627 150 HB2 MET 20 1HB MET 20 0.116 10.155 5.742 151 HB3 MET 20 2HB MET 20 1.563 10.154 4.728 152 HG2 MET 20 1HG MET 20 2.672 8.446 6.193 153 HG3 MET 20 2HG MET 20 1.192 8.319 7.162 154 HE1 MET 20 3HE MET 20 1.195 5.665 6.555 155 HE2 MET 20 1HE MET 20 1.297 5.063 4.875 156 HE3 MET 20 2HE MET 20 2.672 5.942 5.588 157 H SER 21 H SER 21 0.440 13.188 7.372 158 HA SER 21 HA SER 21 0.979 14.961 5.107 159 HB2 SER 21 1HB SER 21 -0.466 16.443 6.092 160 HB3 SER 21 2HB SER 21 -0.956 15.059 7.051 161 HG SER 21 HG SER 21 0.996 17.009 7.814 162 H LYS 22 H LYS 22 2.490 14.779 8.344 163 HA LYS 22 HA LYS 22 4.413 16.926 7.790 164 HB2 LYS 22 1HB LYS 22 5.016 16.743 9.938 165 HB3 LYS 22 2HB LYS 22 3.476 15.932 10.037 166 HG2 LYS 22 1HG LYS 22 4.722 14.599 11.322 167 HG3 LYS 22 2HG LYS 22 4.745 13.667 9.834 168 HD2 LYS 22 1HD LYS 22 7.015 14.051 9.412 169 HD3 LYS 22 2HD LYS 22 7.074 15.628 10.148 170 HE2 LYS 22 1HE LYS 22 6.735 13.053 11.835 171 HE3 LYS 22 2HE LYS 22 8.311 13.602 11.301 172 HZ1 LYS 22 3HZ LYS 22 6.485 15.095 13.187 173 HZ2 LYS 22 1HZ LYS 22 7.954 14.533 13.518 174 HZ3 LYS 22 2HZ LYS 22 7.795 15.822 12.491 175 H LEU 23 H LEU 23 4.461 13.639 7.033 176 HA LEU 23 HA LEU 23 7.237 13.410 5.896 177 HB2 LEU 23 1HB LEU 23 5.746 11.453 6.668 178 HB3 LEU 23 2HB LEU 23 4.667 11.837 5.360 179 HG LEU 23 HG LEU 23 6.955 11.633 3.875 180 HD11 LEU 23 1HD1 LEU 23 8.366 9.754 4.759 181 HD12 LEU 23 2HD1 LEU 23 8.411 11.111 5.895 182 HD13 LEU 23 3HD1 LEU 23 7.416 9.695 6.250 183 HD21 LEU 23 3HD2 LEU 23 6.206 9.321 3.335 184 HD22 LEU 23 1HD2 LEU 23 5.305 9.193 4.855 185 HD23 LEU 23 2HD2 LEU 23 4.785 10.329 3.584 186 H GLY 24 H GLY 24 3.944 13.988 4.559 187 HA2 GLY 24 1HA GLY 24 4.024 16.164 3.126 188 HA3 GLY 24 2HA GLY 24 5.217 15.368 2.120 189 H VAL 25 H VAL 25 1.979 14.514 3.352 190 HA VAL 25 HA VAL 25 1.158 13.441 0.701 191 HB VAL 25 HB VAL 25 -0.133 13.522 3.486 192 HG11 VAL 25 1HG1 VAL 25 -1.908 11.984 2.616 193 HG12 VAL 25 2HG1 VAL 25 -2.053 13.542 1.790 194 HG13 VAL 25 3HG1 VAL 25 -1.280 12.183 0.964 195 HG21 VAL 25 3HG2 VAL 25 0.185 11.018 3.260 196 HG22 VAL 25 1HG2 VAL 25 0.898 11.219 1.646 197 HG23 VAL 25 2HG2 VAL 25 1.745 11.856 3.070 198 H SER 26 H SER 26 -0.655 14.062 -0.463 199 HA SER 26 HA SER 26 -0.926 17.058 -0.729 200 HB2 SER 26 1HB SER 26 -1.840 14.812 -2.647 201 HB3 SER 26 2HB SER 26 -1.961 16.543 -2.965 202 HG SER 26 HG SER 26 0.053 14.955 -3.483 203 H TRP 27 H TRP 27 -2.984 18.075 -0.736 204 HA TRP 27 HA TRP 27 -5.149 16.803 0.823 205 HB2 TRP 27 1HB TRP 27 -4.809 19.536 -0.534 206 HB3 TRP 27 2HB TRP 27 -6.354 19.092 0.142 207 HD1 TRP 27 HD1 TRP 27 -3.015 20.497 1.346 208 HE1 TRP 27 HE1 TRP 27 -3.088 20.967 3.930 209 HE3 TRP 27 HE3 TRP 27 -7.284 17.816 2.343 210 HZ2 TRP 27 HZ2 TRP 27 -4.874 20.218 6.025 211 HZ3 TRP 27 HZ3 TRP 27 -8.136 17.765 4.668 212 HH2 TRP 27 HH2 TRP 27 -6.961 18.945 6.476 213 H ALA 28 H ALA 28 -4.811 15.297 -1.373 214 HA ALA 28 HA ALA 28 -7.747 15.023 -2.100 215 HB1 ALA 28 3HB ALA 28 -5.389 13.728 -3.635 216 HB2 ALA 28 1HB ALA 28 -7.111 13.415 -3.922 217 HB3 ALA 28 2HB ALA 28 -6.450 15.028 -4.224 218 H THR 29 H THR 29 -4.782 13.145 -1.321 219 HA THR 29 HA THR 29 -6.356 11.053 0.161 220 HB THR 29 HB THR 29 -4.041 10.055 0.584 221 HG1 THR 29 HG1 THR 29 -2.276 10.890 -0.453 222 HG21 THR 29 3HG2 THR 29 -4.593 10.653 -2.379 223 HG22 THR 29 1HG2 THR 29 -3.463 9.452 -1.741 224 HG23 THR 29 2HG2 THR 29 -5.210 9.251 -1.448 225 H ARG 30 H ARG 30 -5.109 14.025 1.218 226 HA ARG 30 HA ARG 30 -4.269 13.060 3.913 227 HB2 ARG 30 1HB ARG 30 -3.394 15.225 2.526 228 HB3 ARG 30 2HB ARG 30 -4.732 16.032 3.269 229 HG2 ARG 30 1HG ARG 30 -2.944 14.416 5.178 230 HG3 ARG 30 2HG ARG 30 -2.126 15.625 4.232 231 HD2 ARG 30 1HD ARG 30 -2.641 16.745 6.231 232 HD3 ARG 30 2HD ARG 30 -3.751 17.404 5.061 233 HE ARG 30 HE ARG 30 -5.468 15.575 6.019 234 HH11 ARG 30 1HH1 ARG 30 -2.935 16.788 8.169 235 HH12 ARG 30 2HH1 ARG 30 -4.058 16.390 9.588 236 HH21 ARG 30 1HH2 ARG 30 -6.639 15.409 7.720 237 HH22 ARG 30 2HH2 ARG 30 -5.836 15.715 9.361 238 H GLN 31 H GLN 31 -7.156 13.555 2.472 239 HA GLN 31 HA GLN 31 -8.550 13.616 5.159 240 HB2 GLN 31 1HB GLN 31 -10.439 14.663 4.528 241 HB3 GLN 31 2HB GLN 31 -9.093 15.680 4.083 242 HG2 GLN 31 1HG GLN 31 -10.405 13.977 1.873 243 HG3 GLN 31 2HG GLN 31 -11.313 15.287 2.571 244 HE21 GLN 31 1HE2 GLN 31 -8.735 14.569 0.413 245 HE22 GLN 31 2HE2 GLN 31 -8.435 16.341 -0.001 246 H ILE 32 H ILE 32 -8.235 11.870 2.125 247 HA ILE 32 HA ILE 32 -10.619 10.114 2.613 248 HB ILE 32 HB ILE 32 -8.651 10.483 0.392 249 HG12 ILE 32 1HG1 ILE 32 -10.609 9.934 -1.018 250 HG13 ILE 32 2HG1 ILE 32 -11.562 9.487 0.370 251 HG21 ILE 32 1HG2 ILE 32 -8.055 8.099 0.791 252 HG22 ILE 32 2HG2 ILE 32 -9.769 7.636 0.738 253 HG23 ILE 32 3HG2 ILE 32 -8.970 8.318 -0.703 254 HD11 ILE 32 3HD1 ILE 32 -11.993 11.839 -0.578 255 HD12 ILE 32 1HD1 ILE 32 -11.617 11.854 1.161 256 HD13 ILE 32 2HD1 ILE 32 -10.365 12.315 -0.012 257 H GLY 33 H GLY 33 -7.196 9.993 3.234 258 HA2 GLY 33 1HA GLY 33 -6.946 7.267 4.381 259 HA3 GLY 33 2HA GLY 33 -5.998 8.643 4.917 260 H ASN 34 H ASN 34 -7.822 10.297 6.053 261 HA ASN 34 HA ASN 34 -9.051 8.767 8.358 262 HB2 ASN 34 1HB ASN 34 -8.956 10.958 9.539 263 HB3 ASN 34 2HB ASN 34 -7.412 10.336 9.010 264 HD21 ASN 34 1HD2 ASN 34 -6.219 11.502 7.624 265 HD22 ASN 34 2HD2 ASN 34 -6.752 13.078 6.843 266 H THR 35 H THR 35 -10.434 8.665 5.930 267 HA THR 35 HA THR 35 -13.152 9.603 6.838 268 HB THR 35 HB THR 35 -12.023 10.434 4.120 269 HG1 THR 35 HG1 THR 35 -11.273 11.817 5.545 270 HG21 THR 35 3HG2 THR 35 -14.781 11.105 5.316 271 HG22 THR 35 1HG2 THR 35 -14.100 11.742 3.800 272 HG23 THR 35 2HG2 THR 35 -14.498 10.018 3.931 273 H VAL 36 H VAL 36 -11.524 8.138 3.989 274 HA VAL 36 HA VAL 36 -13.773 6.106 3.904 275 HB VAL 36 HB VAL 36 -11.762 6.780 1.666 276 HG11 VAL 36 1HG1 VAL 36 -13.362 5.444 0.257 277 HG12 VAL 36 2HG1 VAL 36 -12.851 4.446 1.622 278 HG13 VAL 36 3HG1 VAL 36 -14.455 5.211 1.633 279 HG21 VAL 36 3HG2 VAL 36 -13.968 7.847 0.590 280 HG22 VAL 36 1HG2 VAL 36 -14.488 8.017 2.311 281 HG23 VAL 36 2HG2 VAL 36 -13.023 8.776 1.778 282 H THR 37 H THR 37 -13.155 4.566 5.149 283 HA THR 37 HA THR 37 -10.859 3.831 6.384 284 HB THR 37 HB THR 37 -12.720 2.752 7.085 285 HG1 THR 37 HG1 THR 37 -11.207 0.759 5.775 286 HG21 THR 37 3HG2 THR 37 -14.024 1.016 5.892 287 HG22 THR 37 1HG2 THR 37 -14.062 2.546 4.980 288 HG23 THR 37 2HG2 THR 37 -13.035 1.208 4.419 289 HA PRO 38 HA PRO 38 -8.044 2.656 2.952 290 HB2 PRO 38 1HB PRO 38 -5.691 2.164 4.439 291 HB3 PRO 38 2HB PRO 38 -6.287 3.709 3.807 292 HG2 PRO 38 1HG PRO 38 -6.698 2.582 6.632 293 HG3 PRO 38 2HG PRO 38 -6.203 4.228 6.171 294 HD2 PRO 38 1HD PRO 38 -8.779 3.654 6.861 295 HD3 PRO 38 2HD PRO 38 -8.481 4.802 5.515 296 H THR 39 H THR 39 -8.894 0.862 2.181 297 HA THR 39 HA THR 39 -9.286 -1.599 3.574 298 HB THR 39 HB THR 39 -9.384 -1.140 0.544 299 HG1 THR 39 HG1 THR 39 -10.927 0.111 0.763 300 HG21 THR 39 3HG2 THR 39 -11.124 -2.942 2.357 301 HG22 THR 39 1HG2 THR 39 -11.408 -2.628 0.630 302 HG23 THR 39 2HG2 THR 39 -9.950 -3.495 1.128 303 H VAL 40 H VAL 40 -6.903 -1.616 4.092 304 HA VAL 40 HA VAL 40 -4.979 -2.506 2.117 305 HB VAL 40 HB VAL 40 -3.296 -2.692 3.923 306 HG11 VAL 40 1HG1 VAL 40 -3.158 -0.242 4.293 307 HG12 VAL 40 2HG1 VAL 40 -3.691 -0.579 2.636 308 HG13 VAL 40 3HG1 VAL 40 -4.870 -0.036 3.846 309 HG21 VAL 40 3HG2 VAL 40 -5.483 -1.668 5.860 310 HG22 VAL 40 1HG2 VAL 40 -4.674 -3.241 5.942 311 HG23 VAL 40 2HG2 VAL 40 -3.736 -1.762 6.187 312 H THR 41 H THR 41 -5.608 -4.293 1.241 313 HA THR 41 HA THR 41 -6.571 -6.566 2.855 314 HB THR 41 HB THR 41 -6.789 -5.868 -0.098 315 HG1 THR 41 HG1 THR 41 -7.902 -4.527 1.206 316 HG21 THR 41 3HG2 THR 41 -8.094 -8.217 1.401 317 HG22 THR 41 1HG2 THR 41 -8.697 -7.520 -0.130 318 HG23 THR 41 2HG2 THR 41 -7.100 -8.284 -0.061 319 H PHE 42 H PHE 42 -5.309 -8.051 3.528 320 HA PHE 42 HA PHE 42 -2.599 -8.367 2.212 321 HB2 PHE 42 1HB PHE 42 -3.579 -8.296 5.046 322 HB3 PHE 42 2HB PHE 42 -2.734 -9.776 4.809 323 HD1 PHE 42 HD1 PHE 42 -0.420 -9.620 3.504 324 HD2 PHE 42 HD2 PHE 42 -2.270 -6.304 5.499 325 HE1 PHE 42 HE1 PHE 42 1.794 -8.556 3.780 326 HE2 PHE 42 HE2 PHE 42 -0.093 -5.256 5.811 327 HZ PHE 42 HZ PHE 42 1.987 -6.385 4.969 328 H THR 43 H THR 43 -2.521 -9.857 0.845 329 HA THR 43 HA THR 43 -3.735 -12.619 1.305 330 HB THR 43 HB THR 43 -4.457 -12.567 -1.044 331 HG1 THR 43 HG1 THR 43 -3.337 -9.946 -1.049 332 HG21 THR 43 3HG2 THR 43 -5.423 -9.853 0.030 333 HG22 THR 43 1HG2 THR 43 -6.330 -11.094 -0.870 334 HG23 THR 43 2HG2 THR 43 -5.897 -11.333 0.853 335 H MET 44 H MET 44 -2.538 -14.394 0.604 336 HA MET 44 HA MET 44 0.277 -13.857 -0.371 337 HB2 MET 44 1HB MET 44 0.924 -16.065 0.177 338 HB3 MET 44 2HB MET 44 0.279 -15.187 1.544 339 HG2 MET 44 1HG MET 44 -1.911 -16.559 1.320 340 HG3 MET 44 2HG MET 44 -1.125 -17.487 0.033 341 HE1 MET 44 3HE MET 44 -2.264 -18.906 2.537 342 HE2 MET 44 1HE MET 44 -1.307 -19.798 1.319 343 HE3 MET 44 2HE MET 44 -0.929 -19.973 3.056 344 H ASP 45 H ASP 45 0.480 -13.663 -2.485 345 HA ASP 45 HA ASP 45 -1.328 -15.219 -4.389 346 HB2 ASP 45 1HB ASP 45 -1.115 -12.688 -4.481 347 HB3 ASP 45 2HB ASP 45 0.569 -12.857 -4.965 348 H GLY 46 H GLY 46 -0.241 -17.158 -3.843 349 HA2 GLY 46 1HA GLY 46 1.011 -19.033 -4.742 350 HA3 GLY 46 2HA GLY 46 1.754 -17.974 -5.915 351 H ASP 47 H ASP 47 3.256 -16.411 -4.785 352 HA ASP 47 HA ASP 47 5.335 -17.952 -3.169 353 HB2 ASP 47 1HB ASP 47 6.148 -17.305 -5.389 354 HB3 ASP 47 2HB ASP 47 5.605 -15.647 -5.202 355 H LYS 48 H LYS 48 3.897 -14.712 -3.538 356 HA LYS 48 HA LYS 48 4.835 -14.030 -0.719 357 HB2 LYS 48 1HB LYS 48 5.978 -12.180 -1.523 358 HB3 LYS 48 2HB LYS 48 6.461 -13.575 -2.456 359 HG2 LYS 48 1HG LYS 48 4.850 -12.681 -4.337 360 HG3 LYS 48 2HG LYS 48 4.698 -11.221 -3.347 361 HD2 LYS 48 1HD LYS 48 7.200 -10.913 -3.392 362 HD3 LYS 48 2HD LYS 48 7.390 -12.375 -4.341 363 HE2 LYS 48 1HE LYS 48 5.838 -9.860 -5.281 364 HE3 LYS 48 2HE LYS 48 7.528 -10.192 -5.638 365 HZ1 LYS 48 2HZ LYS 48 5.249 -11.921 -6.461 366 HZ3 LYS 48 1HZ LYS 48 6.809 -12.298 -6.708 367 H MET 49 H MET 49 4.238 -11.782 -0.078 368 HA MET 49 HA MET 49 1.257 -11.996 0.230 369 HB2 MET 49 1HB MET 49 1.454 -10.758 2.282 370 HB3 MET 49 2HB MET 49 2.516 -12.144 2.251 371 HG2 MET 49 1HG MET 49 4.417 -10.380 1.540 372 HG3 MET 49 2HG MET 49 3.284 -9.178 2.120 373 HE1 MET 49 3HE MET 49 6.324 -10.986 4.631 374 HE2 MET 49 1HE MET 49 6.082 -11.506 2.945 375 HE3 MET 49 2HE MET 49 6.241 -9.767 3.328 376 H THR 50 H THR 50 -0.146 -10.480 -0.381 377 HA THR 50 HA THR 50 0.910 -8.060 -1.915 378 HB THR 50 HB THR 50 -1.441 -9.910 -2.691 379 HG1 THR 50 HG1 THR 50 0.714 -10.874 -2.730 380 HG21 THR 50 3HG2 THR 50 -1.450 -7.562 -3.718 381 HG22 THR 50 1HG2 THR 50 0.153 -7.885 -4.386 382 HG23 THR 50 2HG2 THR 50 -1.220 -8.868 -4.911 383 H MET 51 H MET 51 0.123 -6.290 -1.143 384 HA MET 51 HA MET 51 -2.366 -6.172 0.591 385 HB2 MET 51 1HB MET 51 -0.259 -4.055 -0.088 386 HB3 MET 51 2HB MET 51 -1.792 -3.628 0.632 387 HG2 MET 51 1HG MET 51 -1.340 -4.827 2.694 388 HG3 MET 51 2HG MET 51 0.018 -5.707 1.988 389 HE1 MET 51 3HE MET 51 -0.975 -2.390 3.905 390 HE2 MET 51 1HE MET 51 0.074 -1.181 3.104 391 HE3 MET 51 2HE MET 51 -1.272 -1.925 2.205 392 H LEU 52 H LEU 52 -4.071 -6.376 -0.724 393 HA LEU 52 HA LEU 52 -4.294 -4.940 -3.359 394 HB2 LEU 52 1HB LEU 52 -6.431 -6.663 -1.994 395 HB3 LEU 52 2HB LEU 52 -6.391 -6.161 -3.659 396 HG LEU 52 HG LEU 52 -4.233 -7.959 -2.362 397 HD11 LEU 52 1HD1 LEU 52 -5.289 -9.895 -3.231 398 HD12 LEU 52 2HD1 LEU 52 -6.525 -9.045 -2.286 399 HD13 LEU 52 3HD1 LEU 52 -6.587 -8.974 -4.063 400 HD21 LEU 52 3HD2 LEU 52 -4.889 -7.403 -5.338 401 HD22 LEU 52 1HD2 LEU 52 -3.449 -6.878 -4.426 402 HD23 LEU 52 2HD2 LEU 52 -3.713 -8.600 -4.741 403 H THR 53 H THR 53 -3.927 -2.989 -2.081 404 HA THR 53 HA THR 53 -5.763 -1.915 -0.190 405 HB THR 53 HB THR 53 -3.529 -0.615 -1.823 406 HG1 THR 53 HG1 THR 53 -2.413 -0.979 0.062 407 HG21 THR 53 3HG2 THR 53 -4.977 0.428 0.710 408 HG22 THR 53 1HG2 THR 53 -3.441 1.083 0.061 409 HG23 THR 53 2HG2 THR 53 -4.938 1.225 -0.880 410 H GLU 54 H GLU 54 -7.774 -1.557 -0.723 411 HA GLU 54 HA GLU 54 -8.503 0.013 -3.209 412 HB2 GLU 54 1HB GLU 54 -9.895 -2.210 -1.613 413 HB3 GLU 54 2HB GLU 54 -10.812 -1.210 -2.721 414 HG2 GLU 54 1HG GLU 54 -8.345 -2.883 -3.526 415 HG3 GLU 54 2HG GLU 54 -10.027 -3.341 -3.759 416 H SER 55 H SER 55 -8.058 1.942 -2.223 417 HA SER 55 HA SER 55 -10.242 3.103 -0.390 418 HB2 SER 55 1HB SER 55 -7.454 4.269 -1.113 419 HB3 SER 55 2HB SER 55 -8.572 4.920 0.090 420 HG SER 55 HG SER 55 -7.519 2.291 0.164 421 H THR 56 H THR 56 -10.984 5.355 -0.988 422 HA THR 56 HA THR 56 -11.836 5.627 -3.676 423 HB THR 56 HB THR 56 -11.528 7.786 -1.520 424 HG1 THR 56 HG1 THR 56 -13.877 6.635 -2.528 425 HG21 THR 56 3HG2 THR 56 -13.325 9.067 -2.699 426 HG22 THR 56 1HG2 THR 56 -11.842 9.056 -3.662 427 HG23 THR 56 2HG2 THR 56 -13.193 8.004 -4.123 428 H PHE 57 H PHE 57 -8.947 7.310 -2.433 429 HA PHE 57 HA PHE 57 -8.177 8.055 -5.284 430 HB2 PHE 57 1HB PHE 57 -7.257 9.012 -2.510 431 HB3 PHE 57 2HB PHE 57 -6.319 9.390 -3.928 432 HD1 PHE 57 HD1 PHE 57 -8.096 10.187 -6.074 433 HD2 PHE 57 HD2 PHE 57 -8.567 10.894 -1.853 434 HE1 PHE 57 HE1 PHE 57 -9.694 11.944 -6.543 435 HE2 PHE 57 HE2 PHE 57 -10.113 12.744 -2.347 436 HZ PHE 57 HZ PHE 57 -10.700 13.281 -4.691 437 H LYS 58 H LYS 58 -6.946 6.148 -2.595 438 HA LYS 58 HA LYS 58 -4.876 4.962 -4.552 439 HB2 LYS 58 1HB LYS 58 -4.734 5.021 -1.482 440 HB3 LYS 58 2HB LYS 58 -3.877 3.827 -2.444 441 HG2 LYS 58 1HG LYS 58 -2.849 5.698 -3.844 442 HG3 LYS 58 2HG LYS 58 -3.516 6.883 -2.753 443 HD2 LYS 58 1HD LYS 58 -1.797 4.571 -1.608 444 HD3 LYS 58 2HD LYS 58 -1.028 5.758 -2.590 445 HE2 LYS 58 1HE LYS 58 -2.148 7.589 -0.962 446 HE3 LYS 58 2HE LYS 58 -2.489 6.213 0.087 447 HZ1 LYS 58 3HZ LYS 58 0.104 7.474 -0.632 448 HZ2 LYS 58 1HZ LYS 58 -0.279 6.731 0.779 449 HZ3 LYS 58 2HZ LYS 58 0.206 5.782 -0.493 450 H ASN 59 H ASN 59 -6.912 4.109 -5.475 451 HA ASN 59 HA ASN 59 -7.402 1.303 -4.399 452 HB2 ASN 59 1HB ASN 59 -8.961 0.938 -6.149 453 HB3 ASN 59 2HB ASN 59 -9.364 2.342 -5.228 454 HD21 ASN 59 1HD2 ASN 59 -9.104 1.190 -8.315 455 HD22 ASN 59 2HD2 ASN 59 -9.140 2.829 -9.158 456 H LEU 60 H LEU 60 -5.417 0.406 -4.468 457 HA LEU 60 HA LEU 60 -4.305 -0.350 -7.128 458 HB2 LEU 60 1HB LEU 60 -2.054 0.626 -6.827 459 HB3 LEU 60 2HB LEU 60 -3.340 1.786 -6.997 460 HG LEU 60 HG LEU 60 -3.289 1.818 -4.275 461 HD11 LEU 60 1HD1 LEU 60 -1.407 0.093 -4.037 462 HD12 LEU 60 2HD1 LEU 60 -0.346 1.111 -5.021 463 HD13 LEU 60 3HD1 LEU 60 -0.911 1.674 -3.433 464 HD21 LEU 60 3HD2 LEU 60 -1.264 3.288 -6.117 465 HD22 LEU 60 1HD2 LEU 60 -2.923 3.814 -5.744 466 HD23 LEU 60 2HD2 LEU 60 -1.685 3.786 -4.466 467 H SER 61 H SER 61 -3.236 -2.245 -7.133 468 HA SER 61 HA SER 61 -2.768 -3.635 -4.496 469 HB2 SER 61 1HB SER 61 -2.408 -5.683 -5.870 470 HB3 SER 61 2HB SER 61 -4.010 -4.950 -6.104 471 HG SER 61 HG SER 61 -2.949 -5.608 -8.071 472 H VAL 62 H VAL 62 -0.798 -4.088 -3.686 473 HA VAL 62 HA VAL 62 1.672 -3.798 -5.428 474 HB VAL 62 HB VAL 62 2.836 -3.079 -3.327 475 HG11 VAL 62 1HG1 VAL 62 0.981 -1.085 -4.771 476 HG12 VAL 62 2HG1 VAL 62 2.460 -0.670 -3.862 477 HG13 VAL 62 3HG1 VAL 62 2.575 -1.636 -5.335 478 HG21 VAL 62 3HG2 VAL 62 1.568 -1.591 -1.765 479 HG22 VAL 62 1HG2 VAL 62 0.034 -2.149 -2.468 480 HG23 VAL 62 2HG2 VAL 62 1.102 -3.304 -1.618 481 H THR 63 H THR 63 3.131 -5.361 -5.258 482 HA THR 63 HA THR 63 2.373 -7.832 -3.614 483 HB THR 63 HB THR 63 3.775 -7.991 -6.339 484 HG1 THR 63 HG1 THR 63 1.543 -6.999 -6.253 485 HG21 THR 63 3HG2 THR 63 3.351 -10.289 -6.277 486 HG22 THR 63 1HG2 THR 63 3.390 -10.030 -4.513 487 HG23 THR 63 2HG2 THR 63 1.849 -10.125 -5.375 488 H PHE 64 H PHE 64 3.984 -8.671 -2.425 489 HA PHE 64 HA PHE 64 6.867 -7.927 -2.833 490 HB2 PHE 64 1HB PHE 64 7.073 -6.510 -0.851 491 HB3 PHE 64 2HB PHE 64 5.961 -5.869 -2.010 492 HD1 PHE 64 HD1 PHE 64 6.135 -7.384 1.401 493 HD2 PHE 64 HD2 PHE 64 3.567 -5.592 -1.542 494 HE1 PHE 64 HE1 PHE 64 4.459 -6.900 3.150 495 HE2 PHE 64 HE2 PHE 64 1.873 -5.194 0.166 496 HZ PHE 64 HZ PHE 64 2.323 -5.800 2.540 497 H LYS 65 H LYS 65 8.389 -8.864 -1.546 498 HA LYS 65 HA LYS 65 7.426 -10.796 0.610 499 HB2 LYS 65 1HB LYS 65 8.971 -12.462 0.015 500 HB3 LYS 65 2HB LYS 65 8.133 -11.980 -1.419 501 HG2 LYS 65 1HG LYS 65 10.342 -10.400 -1.778 502 HG3 LYS 65 2HG LYS 65 11.078 -11.572 -0.703 503 HD2 LYS 65 1HD LYS 65 9.557 -12.122 -3.335 504 HD3 LYS 65 2HD LYS 65 11.304 -12.067 -3.185 505 HE2 LYS 65 1HE LYS 65 11.406 -14.124 -1.851 506 HE3 LYS 65 2HE LYS 65 9.657 -14.162 -1.592 507 HZ1 LYS 65 3HZ LYS 65 9.178 -14.733 -3.819 508 HZ2 LYS 65 1HZ LYS 65 10.579 -14.079 -4.409 509 HZ3 LYS 65 2HZ LYS 65 10.569 -15.565 -3.630 510 H PHE 66 H PHE 66 8.942 -11.353 2.272 511 HA PHE 66 HA PHE 66 10.118 -8.958 3.525 512 HB2 PHE 66 1HB PHE 66 10.481 -10.260 5.424 513 HB3 PHE 66 2HB PHE 66 8.872 -10.419 4.816 514 HD1 PHE 66 HD1 PHE 66 8.146 -12.671 3.715 515 HD2 PHE 66 HD2 PHE 66 11.901 -12.227 5.786 516 HE1 PHE 66 HE1 PHE 66 8.335 -15.109 3.909 517 HE2 PHE 66 HE2 PHE 66 12.051 -14.672 6.012 518 HZ PHE 66 HZ PHE 66 10.274 -16.124 5.071 519 H GLY 67 H GLY 67 11.446 -8.650 1.711 520 HA2 GLY 67 1HA GLY 67 14.356 -8.839 2.206 521 HA3 GLY 67 2HA GLY 67 13.846 -10.127 1.107 522 H GLU 68 H GLU 68 12.078 -9.045 -0.523 523 HA GLU 68 HA GLU 68 13.699 -7.124 -2.208 524 HB2 GLU 68 1HB GLU 68 10.971 -8.420 -2.813 525 HB3 GLU 68 2HB GLU 68 11.879 -7.398 -3.907 526 HG2 GLU 68 1HG GLU 68 12.899 -10.126 -2.870 527 HG3 GLU 68 2HG GLU 68 12.082 -9.846 -4.406 528 H GLU 69 H GLU 69 13.469 -5.017 -1.857 529 HA GLU 69 HA GLU 69 11.208 -3.845 -0.370 530 HB2 GLU 69 1HB GLU 69 12.271 -1.719 -0.487 531 HB3 GLU 69 2HB GLU 69 13.350 -2.972 0.069 532 HG2 GLU 69 1HG GLU 69 14.564 -2.985 -2.131 533 HG3 GLU 69 2HG GLU 69 13.429 -1.838 -2.805 534 H PHE 70 H PHE 70 9.361 -3.189 -1.113 535 HA PHE 70 HA PHE 70 8.843 -3.121 -4.083 536 HB2 PHE 70 1HB PHE 70 6.640 -3.527 -3.780 537 HB3 PHE 70 2HB PHE 70 7.488 -4.548 -2.670 538 HD1 PHE 70 HD1 PHE 70 7.235 -4.123 -0.155 539 HD2 PHE 70 HD2 PHE 70 5.135 -1.701 -3.021 540 HE1 PHE 70 HE1 PHE 70 5.661 -3.429 1.579 541 HE2 PHE 70 HE2 PHE 70 3.649 -0.888 -1.242 542 HZ PHE 70 HZ PHE 70 3.846 -1.787 1.045 543 H ASP 71 H ASP 71 7.747 -1.320 -5.164 544 HA ASP 71 HA ASP 71 7.634 1.294 -3.625 545 HB2 ASP 71 1HB ASP 71 7.685 2.500 -5.612 546 HB3 ASP 71 2HB ASP 71 8.989 1.345 -5.626 547 H GLU 72 H GLU 72 5.847 2.548 -3.422 548 HA GLU 72 HA GLU 72 3.290 1.611 -4.778 549 HB2 GLU 72 1HB GLU 72 1.781 2.489 -3.305 550 HB3 GLU 72 2HB GLU 72 2.767 1.315 -2.468 551 HG2 GLU 72 1HG GLU 72 3.876 3.044 -1.123 552 HG3 GLU 72 2HG GLU 72 3.228 4.345 -2.106 553 H LYS 73 H LYS 73 2.833 2.853 -6.325 554 HA LYS 73 HA LYS 73 3.858 5.735 -6.503 555 HB2 LYS 73 1HB LYS 73 4.299 4.189 -8.432 556 HB3 LYS 73 2HB LYS 73 2.597 3.908 -8.657 557 HG2 LYS 73 1HG LYS 73 3.194 6.864 -8.677 558 HG3 LYS 73 2HG LYS 73 4.271 6.007 -9.745 559 HD2 LYS 73 1HD LYS 73 2.435 6.734 -11.045 560 HD3 LYS 73 2HD LYS 73 2.356 4.977 -10.979 561 HE2 LYS 73 1HE LYS 73 0.514 5.080 -9.251 562 HE3 LYS 73 2HE LYS 73 0.650 6.832 -9.145 563 HZ1 LYS 73 3HZ LYS 73 -0.090 5.313 -11.660 564 HZ2 LYS 73 1HZ LYS 73 -1.159 6.148 -10.731 565 HZ3 LYS 73 2HZ LYS 73 0.009 6.947 -11.572 566 H THR 74 H THR 74 2.436 7.210 -5.658 567 HA THR 74 HA THR 74 -0.299 6.245 -5.085 568 HB THR 74 HB THR 74 -0.172 7.646 -3.198 569 HG1 THR 74 HG1 THR 74 1.352 9.042 -2.757 570 HG21 THR 74 3HG2 THR 74 1.857 6.878 -2.012 571 HG22 THR 74 1HG2 THR 74 1.316 5.555 -3.079 572 HG23 THR 74 2HG2 THR 74 2.697 6.557 -3.523 573 H SER 75 H SER 75 -2.209 7.364 -5.218 574 HA SER 75 HA SER 75 -2.559 9.828 -6.766 575 HB2 SER 75 1HB SER 75 -4.367 8.184 -6.402 576 HB3 SER 75 2HB SER 75 -4.403 8.573 -4.677 577 HG SER 75 HG SER 75 -4.611 10.886 -5.614 578 H ASP 76 H ASP 76 -1.185 9.565 -3.661 579 HA ASP 76 HA ASP 76 -1.541 12.374 -2.816 580 HB2 ASP 76 1HB ASP 76 1.162 11.107 -2.353 581 HB3 ASP 76 2HB ASP 76 0.211 12.135 -1.330 582 H GLY 77 H GLY 77 0.381 10.734 -5.219 583 HA2 GLY 77 1HA GLY 77 1.433 11.743 -7.182 584 HA3 GLY 77 2HA GLY 77 1.547 13.292 -6.366 585 H ARG 78 H ARG 78 2.681 9.941 -5.595 586 HA ARG 78 HA ARG 78 5.548 10.854 -5.378 587 HB2 ARG 78 1HB ARG 78 4.173 9.413 -3.023 588 HB3 ARG 78 2HB ARG 78 5.778 10.115 -3.064 589 HG2 ARG 78 1HG ARG 78 3.139 11.705 -3.117 590 HG3 ARG 78 2HG ARG 78 3.956 11.213 -1.658 591 HD2 ARG 78 1HD ARG 78 5.943 12.611 -2.188 592 HD3 ARG 78 2HD ARG 78 5.310 13.063 -3.755 593 HE ARG 78 HE ARG 78 4.200 13.938 -1.023 594 HH11 ARG 78 1HH1 ARG 78 3.703 14.106 -4.496 595 HH12 ARG 78 2HH1 ARG 78 2.494 15.460 -4.257 596 HH21 ARG 78 1HH2 ARG 78 2.842 15.336 -0.852 597 HH22 ARG 78 2HH2 ARG 78 1.935 16.037 -2.284 598 H ASN 79 H ASN 79 6.786 9.224 -6.040 599 HA ASN 79 HA ASN 79 5.890 6.321 -5.857 600 HB2 ASN 79 1HB ASN 79 7.056 7.145 -7.993 601 HB3 ASN 79 2HB ASN 79 8.526 7.345 -7.054 602 HD21 ASN 79 1HD2 ASN 79 6.347 5.049 -8.462 603 HD22 ASN 79 2HD2 ASN 79 7.273 3.539 -7.969 604 H VAL 80 H VAL 80 6.234 5.397 -3.894 605 HA VAL 80 HA VAL 80 8.725 6.219 -2.304 606 HB VAL 80 HB VAL 80 7.676 6.157 -0.217 607 HG11 VAL 80 1HG1 VAL 80 5.911 8.051 -1.901 608 HG12 VAL 80 2HG1 VAL 80 6.462 8.277 -0.219 609 HG13 VAL 80 3HG1 VAL 80 7.625 8.345 -1.578 610 HG21 VAL 80 3HG2 VAL 80 5.720 4.583 -0.497 611 HG22 VAL 80 1HG2 VAL 80 5.205 6.118 0.213 612 HG23 VAL 80 2HG2 VAL 80 4.880 5.781 -1.507 613 H LYS 81 H LYS 81 9.536 4.579 -0.953 614 HA LYS 81 HA LYS 81 8.824 1.839 -1.995 615 HB2 LYS 81 1HB LYS 81 10.936 1.080 -2.347 616 HB3 LYS 81 2HB LYS 81 10.826 2.628 -3.146 617 HG2 LYS 81 1HG LYS 81 12.120 3.675 -1.156 618 HG3 LYS 81 2HG LYS 81 12.235 2.039 -0.465 619 HD2 LYS 81 1HD LYS 81 13.362 1.233 -2.581 620 HD3 LYS 81 2HD LYS 81 13.357 2.886 -3.218 621 HE2 LYS 81 1HE LYS 81 14.827 3.686 -1.357 622 HE3 LYS 81 2HE LYS 81 14.640 2.147 -0.488 623 HZ1 LYS 81 3HZ LYS 81 16.769 2.152 -1.813 624 HZ2 LYS 81 1HZ LYS 81 15.754 0.910 -2.219 625 HZ3 LYS 81 2HZ LYS 81 15.896 2.223 -3.230 626 H SER 82 H SER 82 9.640 0.089 -0.596 627 HA SER 82 HA SER 82 9.462 0.720 2.366 628 HB2 SER 82 1HB SER 82 7.406 -0.902 0.752 629 HB3 SER 82 2HB SER 82 7.510 -0.935 2.521 630 HG SER 82 HG SER 82 7.458 1.551 1.216 631 H VAL 83 H VAL 83 10.889 -0.462 3.448 632 HA VAL 83 HA VAL 83 12.021 -2.959 2.140 633 HB VAL 83 HB VAL 83 13.504 -1.107 2.554 634 HG11 VAL 83 1HG1 VAL 83 13.326 -1.659 5.575 635 HG12 VAL 83 2HG1 VAL 83 14.568 -0.693 4.747 636 HG13 VAL 83 3HG1 VAL 83 12.892 -0.152 4.714 637 HG21 VAL 83 3HG2 VAL 83 14.375 -3.398 2.251 638 HG22 VAL 83 1HG2 VAL 83 15.382 -2.522 3.420 639 HG23 VAL 83 2HG2 VAL 83 14.216 -3.738 3.991 640 H VAL 84 H VAL 84 11.131 -4.715 2.691 641 HA VAL 84 HA VAL 84 9.233 -4.741 4.964 642 HB VAL 84 HB VAL 84 9.658 -6.802 2.721 643 HG11 VAL 84 1HG1 VAL 84 8.285 -7.604 4.818 644 HG12 VAL 84 2HG1 VAL 84 7.115 -6.332 4.441 645 HG13 VAL 84 3HG1 VAL 84 7.412 -7.646 3.274 646 HG21 VAL 84 3HG2 VAL 84 7.734 -5.756 1.571 647 HG22 VAL 84 1HG2 VAL 84 7.591 -4.492 2.822 648 HG23 VAL 84 2HG2 VAL 84 9.004 -4.562 1.752 649 H GLU 85 H GLU 85 9.492 -5.677 6.748 650 HA GLU 85 HA GLU 85 11.297 -8.131 7.141 651 HB2 GLU 85 1HB GLU 85 12.316 -6.212 8.158 652 HB3 GLU 85 2HB GLU 85 10.861 -5.641 8.908 653 HG2 GLU 85 1HG GLU 85 12.272 -8.266 9.729 654 HG3 GLU 85 2HG GLU 85 12.663 -6.699 10.384 655 H LYS 86 H LYS 86 10.167 -9.899 7.986 656 HA LYS 86 HA LYS 86 7.343 -9.532 8.921 657 HB2 LYS 86 1HB LYS 86 7.144 -10.237 6.648 658 HB3 LYS 86 2HB LYS 86 8.356 -11.475 6.792 659 HG2 LYS 86 1HG LYS 86 5.562 -11.537 8.082 660 HG3 LYS 86 2HG LYS 86 6.046 -12.334 6.602 661 HD2 LYS 86 1HD LYS 86 6.905 -12.953 9.458 662 HD3 LYS 86 2HD LYS 86 5.926 -13.942 8.419 663 HE2 LYS 86 1HE LYS 86 7.754 -14.706 7.060 664 HE3 LYS 86 2HE LYS 86 8.847 -13.414 7.559 665 HZ1 LYS 86 3HZ LYS 86 9.340 -15.420 8.911 666 HZ2 LYS 86 1HZ LYS 86 8.694 -14.242 9.887 667 HZ3 LYS 86 2HZ LYS 86 7.741 -15.561 9.347 668 H ASN 87 H ASN 87 7.555 -9.978 11.012 669 HA ASN 87 HA ASN 87 10.000 -11.504 11.934 670 HB2 ASN 87 1HB ASN 87 9.002 -9.244 12.891 671 HB3 ASN 87 2HB ASN 87 7.885 -10.223 13.770 672 HD21 ASN 87 1HD2 ASN 87 11.176 -9.314 13.384 673 HD22 ASN 87 2HD2 ASN 87 11.752 -10.065 14.988 674 H SER 88 H SER 88 6.822 -11.764 13.335 675 HA SER 88 HA SER 88 6.573 -14.743 12.652 676 HB2 SER 88 1HB SER 88 4.824 -12.967 14.505 677 HB3 SER 88 2HB SER 88 4.510 -14.663 14.123 678 HG SER 88 HG SER 88 7.022 -13.857 15.134 679 H GLU 89 H GLU 89 4.552 -15.336 11.571 680 HA GLU 89 HA GLU 89 3.859 -13.674 9.301 681 HB2 GLU 89 1HB GLU 89 2.673 -16.272 10.502 682 HB3 GLU 89 2HB GLU 89 2.208 -15.631 8.955 683 HG2 GLU 89 1HG GLU 89 3.763 -17.410 8.570 684 HG3 GLU 89 2HG GLU 89 4.505 -15.918 8.020 685 H SER 90 H SER 90 2.851 -13.052 12.099 686 HA SER 90 HA SER 90 1.113 -11.059 10.940 687 HB2 SER 90 1HB SER 90 -0.776 -11.034 12.568 688 HB3 SER 90 2HB SER 90 -0.755 -12.462 11.544 689 HG SER 90 HG SER 90 0.275 -12.340 14.201 690 H LYS 91 H LYS 91 3.711 -10.890 11.788 691 HA LYS 91 HA LYS 91 3.322 -8.397 13.385 692 HB2 LYS 91 1HB LYS 91 3.902 -10.409 14.986 693 HB3 LYS 91 2HB LYS 91 5.513 -10.352 14.322 694 HG2 LYS 91 1HG LYS 91 3.995 -8.113 15.817 695 HG3 LYS 91 2HG LYS 91 5.207 -9.180 16.492 696 HD2 LYS 91 1HD LYS 91 6.901 -8.181 14.774 697 HD3 LYS 91 2HD LYS 91 5.693 -6.979 14.371 698 HE2 LYS 91 1HE LYS 91 6.923 -7.466 17.180 699 HE3 LYS 91 2HE LYS 91 7.420 -6.215 16.040 700 HZ1 LYS 91 3HZ LYS 91 4.997 -5.338 16.209 701 HZ2 LYS 91 1HZ LYS 91 4.699 -6.393 17.451 702 HZ3 LYS 91 2HZ LYS 91 5.836 -5.210 17.628 703 H LEU 92 H LEU 92 3.704 -7.489 11.372 704 HA LEU 92 HA LEU 92 6.445 -7.907 10.030 705 HB2 LEU 92 1HB LEU 92 4.277 -8.751 9.050 706 HB3 LEU 92 2HB LEU 92 3.660 -7.116 8.920 707 HG LEU 92 HG LEU 92 6.196 -8.060 7.509 708 HD11 LEU 92 1HD1 LEU 92 4.796 -8.623 5.525 709 HD12 LEU 92 2HD1 LEU 92 4.313 -9.617 6.906 710 HD13 LEU 92 3HD1 LEU 92 3.308 -8.234 6.411 711 HD21 LEU 92 3HD2 LEU 92 5.231 -6.314 5.708 712 HD22 LEU 92 1HD2 LEU 92 4.355 -5.617 7.076 713 HD23 LEU 92 2HD2 LEU 92 6.122 -5.710 7.077 714 H THR 93 H THR 93 7.477 -6.144 9.052 715 HA THR 93 HA THR 93 6.658 -3.336 10.005 716 HB THR 93 HB THR 93 9.409 -4.614 9.993 717 HG1 THR 93 HG1 THR 93 9.059 -5.516 11.651 718 HG21 THR 93 3HG2 THR 93 9.794 -2.550 11.732 719 HG22 THR 93 1HG2 THR 93 10.110 -2.468 9.997 720 HG23 THR 93 2HG2 THR 93 8.632 -1.769 10.608 721 H GLN 94 H GLN 94 5.959 -2.978 8.013 722 HA GLN 94 HA GLN 94 7.494 -3.264 5.518 723 HB2 GLN 94 1HB GLN 94 5.016 -3.570 5.890 724 HB3 GLN 94 2HB GLN 94 4.847 -1.856 6.205 725 HG2 GLN 94 1HG GLN 94 6.065 -2.251 3.525 726 HG3 GLN 94 2HG GLN 94 4.728 -3.342 3.705 727 HE21 GLN 94 1HE2 GLN 94 5.591 0.069 3.704 728 HE22 GLN 94 2HE2 GLN 94 3.901 0.596 3.202 729 H THR 95 H THR 95 9.056 -1.831 6.764 730 HA THR 95 HA THR 95 8.970 0.792 7.364 731 HB THR 95 HB THR 95 11.640 -0.337 6.471 732 HG1 THR 95 HG1 THR 95 10.803 -1.904 7.631 733 HG21 THR 95 3HG2 THR 95 11.875 1.956 7.323 734 HG22 THR 95 1HG2 THR 95 10.700 1.697 8.597 735 HG23 THR 95 2HG2 THR 95 12.260 0.886 8.692 736 H GLN 96 H GLN 96 8.345 2.476 6.184 737 HA GLN 96 HA GLN 96 8.650 2.541 3.278 738 HB2 GLN 96 1HB GLN 96 7.064 4.045 5.344 739 HB3 GLN 96 2HB GLN 96 7.525 5.027 3.983 740 HG2 GLN 96 1HG GLN 96 6.509 3.405 2.376 741 HG3 GLN 96 2HG GLN 96 6.060 2.356 3.716 742 HE21 GLN 96 1HE2 GLN 96 5.669 5.826 2.721 743 HE22 GLN 96 2HE2 GLN 96 3.914 5.822 3.274 744 H VAL 97 H VAL 97 10.028 3.624 1.980 745 HA VAL 97 HA VAL 97 11.994 5.623 3.250 746 HB VAL 97 HB VAL 97 12.521 3.347 1.255 747 HG11 VAL 97 1HG1 VAL 97 13.843 5.329 0.485 748 HG12 VAL 97 2HG1 VAL 97 14.285 5.692 2.165 749 HG13 VAL 97 3HG1 VAL 97 14.954 4.243 1.357 750 HG21 VAL 97 3HG2 VAL 97 14.130 2.553 2.974 751 HG22 VAL 97 1HG2 VAL 97 13.785 3.956 4.023 752 HG23 VAL 97 2HG2 VAL 97 12.543 2.728 3.744 753 H ASP 98 H ASP 98 10.471 7.149 2.708 754 HA ASP 98 HA ASP 98 9.595 7.722 0.004 755 HB2 ASP 98 1HB ASP 98 9.211 9.315 2.620 756 HB3 ASP 98 2HB ASP 98 8.089 9.229 1.303 757 HA PRO 99 HA PRO 99 12.290 11.542 -0.583 758 HB2 PRO 99 1HB PRO 99 10.541 13.656 -1.204 759 HB3 PRO 99 2HB PRO 99 11.012 12.355 -2.319 760 HG2 PRO 99 1HG PRO 99 8.496 12.451 -0.549 761 HG3 PRO 99 2HG PRO 99 8.574 12.157 -2.309 762 HD2 PRO 99 1HD PRO 99 8.409 10.081 -0.557 763 HD3 PRO 99 2HD PRO 99 9.479 9.912 -1.979 764 H LYS 100 H LYS 100 10.206 11.341 1.973 765 HA LYS 100 HA LYS 100 12.013 13.241 3.541 766 HB2 LYS 100 1HB LYS 100 9.040 13.167 3.645 767 HB3 LYS 100 2HB LYS 100 9.647 12.671 5.182 768 HG2 LYS 100 1HG LYS 100 10.558 15.253 3.779 769 HG3 LYS 100 2HG LYS 100 9.193 15.144 4.886 770 HD2 LYS 100 1HD LYS 100 10.649 14.268 6.721 771 HD3 LYS 100 2HD LYS 100 12.069 14.313 5.710 772 HE2 LYS 100 1HE LYS 100 10.364 16.809 6.452 773 HE3 LYS 100 2HE LYS 100 11.771 16.264 7.365 774 HZ1 LYS 100 3HZ LYS 100 12.446 17.978 5.679 775 HZ2 LYS 100 1HZ LYS 100 13.162 16.541 5.310 776 HZ3 LYS 100 2HZ LYS 100 11.870 17.049 4.448 777 H ASN 101 H ASN 101 11.469 9.984 3.049 778 HA ASN 101 HA ASN 101 11.695 8.032 4.205 779 HB2 ASN 101 1HB ASN 101 13.991 9.092 4.400 780 HB3 ASN 101 2HB ASN 101 13.649 9.480 6.072 781 HD21 ASN 101 1HD2 ASN 101 13.322 7.602 7.515 782 HD22 ASN 101 2HD2 ASN 101 13.972 5.972 6.985 783 H THR 102 H THR 102 10.252 6.935 5.323 784 HA THR 102 HA THR 102 8.901 8.139 7.738 785 HB THR 102 HB THR 102 8.374 5.502 6.284 786 HG1 THR 102 HG1 THR 102 7.908 7.155 4.818 787 HG21 THR 102 3HG2 THR 102 6.132 5.539 7.229 788 HG22 THR 102 1HG2 THR 102 7.215 5.711 8.620 789 HG23 THR 102 2HG2 THR 102 6.377 7.129 7.954 790 H THR 103 H THR 103 8.906 7.122 9.803 791 HA THR 103 HA THR 103 11.224 5.385 10.518 792 HB THR 103 HB THR 103 8.917 6.559 12.104 793 HG1 THR 103 HG1 THR 103 11.674 7.207 11.878 794 HG21 THR 103 3HG2 THR 103 11.528 5.320 13.212 795 HG22 THR 103 1HG2 THR 103 10.295 6.223 14.126 796 HG23 THR 103 2HG2 THR 103 9.895 4.657 13.412 797 H VAL 104 H VAL 104 10.790 3.351 11.801 798 HA VAL 104 HA VAL 104 9.567 1.352 10.257 799 HB VAL 104 HB VAL 104 9.631 -0.164 12.219 800 HG11 VAL 104 1HG1 VAL 104 12.249 1.290 11.503 801 HG12 VAL 104 2HG1 VAL 104 12.123 -0.304 12.283 802 HG13 VAL 104 3HG1 VAL 104 11.498 -0.081 10.649 803 HG21 VAL 104 3HG2 VAL 104 10.868 0.426 14.271 804 HG22 VAL 104 1HG2 VAL 104 11.015 2.125 13.774 805 HG23 VAL 104 2HG2 VAL 104 9.426 1.444 14.170 806 H ILE 105 H ILE 105 7.456 1.541 9.590 807 HA ILE 105 HA ILE 105 5.250 1.875 11.564 808 HB ILE 105 HB ILE 105 3.762 2.006 9.711 809 HG12 ILE 105 1HG1 ILE 105 4.759 0.554 7.971 810 HG13 ILE 105 2HG1 ILE 105 4.384 2.172 7.392 811 HG21 ILE 105 1HG2 ILE 105 4.625 4.203 8.793 812 HG22 ILE 105 2HG2 ILE 105 4.831 4.073 10.555 813 HG23 ILE 105 3HG2 ILE 105 6.201 3.870 9.494 814 HD11 ILE 105 3HD1 ILE 105 6.970 0.762 7.768 815 HD12 ILE 105 1HD1 ILE 105 6.421 1.790 6.409 816 HD13 ILE 105 2HD1 ILE 105 7.050 2.538 7.906 817 H VAL 106 H VAL 106 6.138 -0.104 12.464 818 HA VAL 106 HA VAL 106 5.668 -2.730 11.702 819 HB VAL 106 HB VAL 106 5.495 -3.519 13.973 820 HG11 VAL 106 1HG1 VAL 106 7.567 -2.606 14.924 821 HG12 VAL 106 2HG1 VAL 106 7.737 -2.762 13.172 822 HG13 VAL 106 3HG1 VAL 106 7.484 -1.161 13.894 823 HG21 VAL 106 3HG2 VAL 106 5.445 -1.892 15.965 824 HG22 VAL 106 1HG2 VAL 106 4.972 -0.611 14.817 825 HG23 VAL 106 2HG2 VAL 106 3.903 -1.993 15.090 826 H ARG 107 H ARG 107 4.113 -4.260 11.873 827 HA ARG 107 HA ARG 107 1.252 -3.521 12.599 828 HB2 ARG 107 1HB ARG 107 0.288 -4.492 10.626 829 HB3 ARG 107 2HB ARG 107 1.288 -3.091 10.371 830 HG2 ARG 107 1HG ARG 107 3.182 -4.773 9.595 831 HG3 ARG 107 2HG ARG 107 1.912 -5.977 9.598 832 HD2 ARG 107 1HD ARG 107 2.097 -5.120 7.348 833 HD3 ARG 107 2HD ARG 107 0.555 -4.511 7.989 834 HE ARG 107 HE ARG 107 2.511 -2.491 8.644 835 HH11 ARG 107 1HH1 ARG 107 1.359 -3.885 5.682 836 HH12 ARG 107 2HH1 ARG 107 1.725 -2.339 4.766 837 HH21 ARG 107 1HH2 ARG 107 2.767 -0.740 7.591 838 HH22 ARG 107 2HH2 ARG 107 2.342 -0.649 5.816 839 H GLU 108 H GLU 108 0.677 -4.602 14.202 840 HA GLU 108 HA GLU 108 1.306 -7.603 14.424 841 HB2 GLU 108 1HB GLU 108 2.279 -5.846 16.000 842 HB3 GLU 108 2HB GLU 108 0.658 -5.453 16.563 843 HG2 GLU 108 1HG GLU 108 0.447 -7.643 17.691 844 HG3 GLU 108 2HG GLU 108 1.855 -8.299 16.850 845 H VAL 109 H VAL 109 -0.486 -8.445 16.174 846 HA VAL 109 HA VAL 109 -3.246 -7.540 15.474 847 HB VAL 109 HB VAL 109 -2.770 -9.261 13.777 848 HG11 VAL 109 1HG1 VAL 109 -1.376 -10.908 15.089 849 HG12 VAL 109 2HG1 VAL 109 -2.793 -11.303 16.078 850 HG13 VAL 109 3HG1 VAL 109 -2.780 -11.702 14.337 851 HG21 VAL 109 3HG2 VAL 109 -5.063 -10.009 15.680 852 HG22 VAL 109 1HG2 VAL 109 -5.113 -8.776 14.401 853 HG23 VAL 109 2HG2 VAL 109 -4.922 -10.489 13.982 854 H ASP 110 H ASP 110 -4.552 -7.489 17.172 855 HA ASP 110 HA ASP 110 -3.778 -9.041 19.684 856 HB2 ASP 110 1HB ASP 110 -5.129 -6.320 19.163 857 HB3 ASP 110 2HB ASP 110 -5.181 -7.062 20.734 858 H GLY 111 H GLY 111 -5.133 -10.486 17.832 859 HA2 GLY 111 1HA GLY 111 -6.933 -12.205 18.061 860 HA3 GLY 111 2HA GLY 111 -7.752 -11.189 19.227 861 H ASP 112 H ASP 112 -6.972 -11.520 15.830 862 HA ASP 112 HA ASP 112 -7.526 -10.181 13.951 863 HB2 ASP 112 1HB ASP 112 -10.175 -11.362 14.897 864 HB3 ASP 112 2HB ASP 112 -10.046 -10.512 13.377 865 H THR 113 H THR 113 -6.968 -8.411 15.730 866 HA THR 113 HA THR 113 -8.442 -6.009 14.765 867 HB THR 113 HB THR 113 -9.604 -6.392 16.778 868 HG1 THR 113 HG1 THR 113 -8.886 -4.316 17.783 869 HG21 THR 113 3HG2 THR 113 -8.764 -6.063 19.032 870 HG22 THR 113 1HG2 THR 113 -7.991 -7.478 18.320 871 HG23 THR 113 2HG2 THR 113 -7.083 -5.966 18.480 872 H MET 114 H MET 114 -6.829 -5.819 13.560 873 HA MET 114 HA MET 114 -4.094 -6.350 13.999 874 HB2 MET 114 1HB MET 114 -5.213 -4.614 11.746 875 HB3 MET 114 2HB MET 114 -3.650 -5.399 11.760 876 HG2 MET 114 1HG MET 114 -6.320 -6.959 11.876 877 HG3 MET 114 2HG MET 114 -5.421 -6.608 10.414 878 HE1 MET 114 3HE MET 114 -6.316 -9.423 11.961 879 HE2 MET 114 1HE MET 114 -5.738 -9.371 10.265 880 HE3 MET 114 2HE MET 114 -4.979 -10.476 11.450 881 H LYS 115 H LYS 115 -3.030 -5.284 15.544 882 HA LYS 115 HA LYS 115 -3.292 -2.319 15.948 883 HB2 LYS 115 1HB LYS 115 -3.226 -3.968 17.815 884 HB3 LYS 115 2HB LYS 115 -1.563 -4.382 17.420 885 HG2 LYS 115 1HG LYS 115 -0.981 -1.836 17.829 886 HG3 LYS 115 2HG LYS 115 -2.645 -1.638 18.352 887 HD2 LYS 115 1HD LYS 115 -1.377 -1.891 20.319 888 HD3 LYS 115 2HD LYS 115 -2.296 -3.370 20.177 889 HE2 LYS 115 1HE LYS 115 0.490 -3.467 18.907 890 HE3 LYS 115 2HE LYS 115 0.509 -3.117 20.626 891 HZ1 LYS 115 3HZ LYS 115 -1.171 -5.447 19.641 892 HZ2 LYS 115 1HZ LYS 115 0.512 -5.643 19.857 893 HZ3 LYS 115 2HZ LYS 115 -0.556 -5.246 21.102 894 H THR 116 H THR 116 -2.306 -1.195 14.404 895 HA THR 116 HA THR 116 0.600 -1.797 13.652 896 HB THR 116 HB THR 116 -0.533 -2.627 11.871 897 HG1 THR 116 HG1 THR 116 1.313 -1.159 11.607 898 HG21 THR 116 3HG2 THR 116 -1.956 -1.465 10.281 899 HG22 THR 116 1HG2 THR 116 -2.756 -1.628 11.856 900 HG23 THR 116 2HG2 THR 116 -2.092 -0.069 11.362 901 H THR 117 H THR 117 1.421 -0.475 14.997 902 HA THR 117 HA THR 117 0.801 2.297 15.457 903 HB THR 117 HB THR 117 3.512 0.851 15.753 904 HG1 THR 117 HG1 THR 117 2.690 0.518 17.937 905 HG21 THR 117 3HG2 THR 117 3.596 3.326 16.340 906 HG22 THR 117 1HG2 THR 117 2.255 3.093 17.484 907 HG23 THR 117 2HG2 THR 117 3.831 2.316 17.770 908 H VAL 118 H VAL 118 0.757 3.716 13.739 909 HA VAL 118 HA VAL 118 3.114 3.713 11.841 910 HB VAL 118 HB VAL 118 0.978 3.472 10.920 911 HG11 VAL 118 1HG1 VAL 118 -0.471 5.032 12.230 912 HG12 VAL 118 2HG1 VAL 118 0.304 6.413 11.398 913 HG13 VAL 118 3HG1 VAL 118 -0.598 5.218 10.474 914 HG21 VAL 118 3HG2 VAL 118 1.388 5.517 9.136 915 HG22 VAL 118 1HG2 VAL 118 2.909 5.634 10.058 916 HG23 VAL 118 2HG2 VAL 118 2.438 4.111 9.269 917 H THR 119 H THR 119 4.815 4.639 12.755 918 HA THR 119 HA THR 119 4.530 7.480 13.857 919 HB THR 119 HB THR 119 5.181 5.970 15.605 920 HG1 THR 119 HG1 THR 119 7.348 6.793 15.992 921 HG21 THR 119 3HG2 THR 119 6.222 4.044 14.364 922 HG22 THR 119 1HG2 THR 119 7.593 5.058 13.906 923 HG23 THR 119 2HG2 THR 119 7.301 4.653 15.624 924 H VAL 120 H VAL 120 6.089 8.978 13.404 925 HA VAL 120 HA VAL 120 8.209 8.456 11.246 926 HB VAL 120 HB VAL 120 6.349 10.887 11.025 927 HG11 VAL 120 1HG1 VAL 120 8.541 11.147 9.927 928 HG12 VAL 120 2HG1 VAL 120 8.401 9.584 9.131 929 HG13 VAL 120 3HG1 VAL 120 7.323 10.899 8.657 930 HG21 VAL 120 3HG2 VAL 120 5.951 8.131 9.798 931 HG22 VAL 120 1HG2 VAL 120 4.843 9.135 10.745 932 HG23 VAL 120 2HG2 VAL 120 5.233 9.621 9.071 933 H GLY 121 H GLY 121 9.683 8.631 12.911 934 HA2 GLY 121 1HA GLY 121 11.075 9.651 14.585 935 HA3 GLY 121 2HA GLY 121 10.495 11.217 14.058 936 H ASP 122 H ASP 122 8.014 11.187 14.655 937 HA ASP 122 HA ASP 122 7.803 11.159 17.681 938 HB2 ASP 122 1HB ASP 122 7.817 13.671 17.748 939 HB3 ASP 122 2HB ASP 122 9.291 13.058 17.034 940 H VAL 123 H VAL 123 5.925 10.180 15.678 941 HA VAL 123 HA VAL 123 3.461 11.880 16.423 942 HB VAL 123 HB VAL 123 3.740 10.355 13.753 943 HG11 VAL 123 1HG1 VAL 123 1.525 12.215 14.938 944 HG12 VAL 123 2HG1 VAL 123 1.605 11.783 13.243 945 HG13 VAL 123 3HG1 VAL 123 1.332 10.519 14.452 946 HG21 VAL 123 3HG2 VAL 123 3.888 13.401 14.366 947 HG22 VAL 123 1HG2 VAL 123 5.195 12.397 13.709 948 HG23 VAL 123 2HG2 VAL 123 3.732 12.696 12.736 949 H THR 124 H THR 124 4.245 8.566 15.495 950 HA THR 124 HA THR 124 3.297 6.520 16.074 951 HB THR 124 HB THR 124 3.333 7.863 18.806 952 HG1 THR 124 HG1 THR 124 5.260 8.096 17.795 953 HG21 THR 124 3HG2 THR 124 2.351 5.481 18.920 954 HG22 THR 124 1HG2 THR 124 3.833 4.895 18.122 955 HG23 THR 124 2HG2 THR 124 3.927 5.629 19.721 956 H ALA 125 H ALA 125 1.495 6.580 14.844 957 HA ALA 125 HA ALA 125 -1.147 7.144 16.266 958 HB1 ALA 125 3HB ALA 125 -0.240 6.953 13.358 959 HB2 ALA 125 1HB ALA 125 -1.958 6.874 13.726 960 HB3 ALA 125 2HB ALA 125 -0.978 8.284 14.194 961 H ILE 126 H ILE 126 -1.257 5.459 17.579 962 HA ILE 126 HA ILE 126 -0.752 2.736 16.968 963 HB ILE 126 HB ILE 126 -0.570 3.826 19.128 964 HG12 ILE 126 1HG1 ILE 126 -1.489 1.977 20.606 965 HG13 ILE 126 2HG1 ILE 126 -2.289 1.272 19.206 966 HG21 ILE 126 1HG2 ILE 126 -2.448 4.083 20.725 967 HG22 ILE 126 2HG2 ILE 126 -2.644 5.159 19.347 968 HG23 ILE 126 3HG2 ILE 126 -3.641 3.692 19.468 969 HD11 ILE 126 3HD1 ILE 126 0.758 1.873 19.345 970 HD12 ILE 126 1HD1 ILE 126 0.034 0.297 19.747 971 HD13 ILE 126 2HD1 ILE 126 -0.083 0.929 18.089 972 H ARG 127 H ARG 127 -1.853 2.566 14.960 973 HA ARG 127 HA ARG 127 -4.717 2.782 14.775 974 HB2 ARG 127 1HB ARG 127 -2.956 1.268 12.795 975 HB3 ARG 127 2HB ARG 127 -4.607 1.775 12.499 976 HG2 ARG 127 1HG ARG 127 -3.967 4.172 12.617 977 HG3 ARG 127 2HG ARG 127 -2.297 3.756 12.972 978 HD2 ARG 127 1HD ARG 127 -3.809 2.912 10.401 979 HD3 ARG 127 2HD ARG 127 -2.737 4.304 10.551 980 HE ARG 127 HE ARG 127 -1.233 1.981 11.462 981 HH11 ARG 127 1HH1 ARG 127 -2.494 3.292 8.505 982 HH12 ARG 127 2HH1 ARG 127 -1.275 2.392 7.479 983 HH21 ARG 127 1HH2 ARG 127 -0.011 0.790 10.258 984 HH22 ARG 127 2HH2 ARG 127 0.077 1.075 8.460 985 H ASN 128 H ASN 128 -6.314 1.383 15.166 986 HA ASN 128 HA ASN 128 -5.809 -1.645 15.129 987 HB2 ASN 128 1HB ASN 128 -8.109 0.090 16.248 988 HB3 ASN 128 2HB ASN 128 -8.287 -1.618 16.045 989 HD21 ASN 128 1HD2 ASN 128 -6.786 -3.065 17.238 990 HD22 ASN 128 2HD2 ASN 128 -6.174 -2.401 18.848 991 H TYR 129 H TYR 129 -6.663 -2.818 13.505 992 HA TYR 129 HA TYR 129 -8.991 -1.743 11.837 993 HB2 TYR 129 1HB TYR 129 -6.693 -3.492 10.707 994 HB3 TYR 129 2HB TYR 129 -8.166 -3.066 9.890 995 HD1 TYR 129 HD1 TYR 129 -5.177 -1.296 11.485 996 HD2 TYR 129 HD2 TYR 129 -8.029 -1.412 8.250 997 HE1 TYR 129 HE1 TYR 129 -3.972 0.506 10.317 998 HE2 TYR 129 HE2 TYR 129 -6.818 0.357 7.121 999 HH TYR 129 HH TYR 129 -4.970 1.589 7.099 1000 H LYS 130 H LYS 130 -10.536 -3.269 11.257 1001 HA LYS 130 HA LYS 130 -10.454 -5.892 12.849 1002 HB2 LYS 130 1HB LYS 130 -12.896 -4.452 11.664 1003 HB3 LYS 130 2HB LYS 130 -12.928 -6.111 12.216 1004 HG2 LYS 130 1HG LYS 130 -12.458 -3.604 13.910 1005 HG3 LYS 130 2HG LYS 130 -13.848 -4.652 13.922 1006 HD2 LYS 130 1HD LYS 130 -11.013 -5.259 14.954 1007 HD3 LYS 130 2HD LYS 130 -12.404 -4.910 15.928 1008 HE2 LYS 130 1HE LYS 130 -12.127 -7.444 14.143 1009 HE3 LYS 130 2HE LYS 130 -11.625 -7.361 15.815 1010 HZ1 LYS 130 3HZ LYS 130 -14.468 -6.892 14.905 1011 HZ2 LYS 130 1HZ LYS 130 -13.925 -8.256 15.651 1012 HZ3 LYS 130 2HZ LYS 130 -13.970 -6.830 16.467 1013 H ARG 131 H ARG 131 -10.123 -7.646 11.840 1014 HA ARG 131 HA ARG 131 -9.598 -7.805 8.922 1015 HB2 ARG 131 1HB ARG 131 -8.268 -8.891 10.798 1016 HB3 ARG 131 2HB ARG 131 -9.657 -9.907 11.165 1017 HG2 ARG 131 1HG ARG 131 -9.365 -10.723 8.580 1018 HG3 ARG 131 2HG ARG 131 -7.758 -9.998 8.739 1019 HD2 ARG 131 1HD ARG 131 -7.446 -11.358 10.911 1020 HD3 ARG 131 2HD ARG 131 -9.032 -12.097 10.638 1021 HE ARG 131 HE ARG 131 -7.495 -12.645 8.245 1022 HH11 ARG 131 1HH1 ARG 131 -7.332 -13.439 11.723 1023 HH12 ARG 131 2HH1 ARG 131 -6.369 -14.942 11.297 1024 HH21 ARG 131 1HH2 ARG 131 -6.516 -14.346 7.922 1025 HH22 ARG 131 2HH2 ARG 131 -5.947 -15.438 9.283 1026 H LEU 132 H LEU 132 -10.889 -8.422 7.435 1027 HA LEU 132 HA LEU 132 -13.568 -9.785 8.012 1028 HB2 LEU 132 1HB LEU 132 -12.768 -7.592 6.001 1029 HB3 LEU 132 2HB LEU 132 -14.368 -8.346 6.067 1030 HG LEU 132 HG LEU 132 -12.992 -6.530 8.124 1031 HD11 LEU 132 1HD1 LEU 132 -14.967 -5.035 7.523 1032 HD12 LEU 132 2HD1 LEU 132 -13.941 -5.395 6.121 1033 HD13 LEU 132 3HD1 LEU 132 -15.506 -6.223 6.328 1034 HD21 LEU 132 3HD2 LEU 132 -14.309 -8.110 9.488 1035 HD22 LEU 132 1HD2 LEU 132 -15.172 -6.573 9.434 1036 HD23 LEU 132 2HD2 LEU 132 -15.741 -7.936 8.439 1037 H SER 133 H SER 133 -14.309 -11.291 6.714 1038 HA SER 133 HA SER 133 -12.581 -12.414 4.445 1039 HB2 SER 133 1HB SER 133 -13.770 -14.529 4.804 1040 HB3 SER 133 2HB SER 133 -13.053 -13.962 6.315 1041 HG SER 133 HG SER 133 -15.209 -14.684 6.590 1042 HXT SER 133 HXT SER 133 -15.660 -12.148 4.157 Start of MODEL 15 1 H1 MET 1 1H MET 1 2.148 -13.312 9.283 2 H2 MET 1 2H MET 1 3.029 -14.608 8.802 3 HA MET 1 HA MET 1 1.638 -12.851 6.878 4 HB2 MET 1 1HB MET 1 2.843 -15.680 6.714 5 HB3 MET 1 2HB MET 1 1.727 -15.090 5.497 6 HG2 MET 1 1HG MET 1 3.250 -13.331 4.756 7 HG3 MET 1 2HG MET 1 4.320 -13.560 6.143 8 HE1 MET 1 3HE MET 1 4.039 -14.499 2.406 9 HE2 MET 1 1HE MET 1 4.045 -16.279 2.414 10 HE3 MET 1 2HE MET 1 2.642 -15.395 3.078 11 H SER 2 H SER 2 1.138 -16.051 8.490 12 HA SER 2 HA SER 2 -1.507 -16.270 7.281 13 HB2 SER 2 1HB SER 2 -1.656 -18.434 8.511 14 HB3 SER 2 2HB SER 2 -0.120 -18.227 7.674 15 HG SER 2 HG SER 2 0.932 -17.740 9.623 16 H SER 3 H SER 3 -0.756 -15.394 10.661 17 HA SER 3 HA SER 3 -3.586 -15.185 11.500 18 HB2 SER 3 1HB SER 3 -1.615 -15.269 13.086 19 HB3 SER 3 2HB SER 3 -1.197 -13.615 12.626 20 HG SER 3 HG SER 3 -3.585 -13.217 13.201 21 H PHE 4 H PHE 4 -1.884 -13.198 9.282 22 HA PHE 4 HA PHE 4 -4.145 -11.172 9.409 23 HB2 PHE 4 1HB PHE 4 -2.596 -9.320 8.910 24 HB3 PHE 4 2HB PHE 4 -2.405 -10.050 10.460 25 HD1 PHE 4 HD1 PHE 4 -0.811 -9.606 7.126 26 HD2 PHE 4 HD2 PHE 4 -0.276 -11.165 11.092 27 HE1 PHE 4 HE1 PHE 4 1.645 -9.623 6.801 28 HE2 PHE 4 HE2 PHE 4 2.169 -11.154 10.765 29 HZ PHE 4 HZ PHE 4 3.127 -10.400 8.625 30 H LEU 5 H LEU 5 -3.629 -13.506 7.506 31 HA LEU 5 HA LEU 5 -3.826 -12.309 4.836 32 HB2 LEU 5 1HB LEU 5 -4.917 -14.948 5.938 33 HB3 LEU 5 2HB LEU 5 -5.057 -14.474 4.262 34 HG LEU 5 HG LEU 5 -2.318 -14.607 5.668 35 HD11 LEU 5 1HD1 LEU 5 -3.440 -16.861 5.793 36 HD12 LEU 5 2HD1 LEU 5 -3.747 -16.826 4.041 37 HD13 LEU 5 3HD1 LEU 5 -2.080 -16.890 4.658 38 HD21 LEU 5 3HD2 LEU 5 -1.443 -14.839 3.333 39 HD22 LEU 5 1HD2 LEU 5 -3.087 -14.701 2.670 40 HD23 LEU 5 2HD2 LEU 5 -2.328 -13.319 3.489 41 H GLY 6 H GLY 6 -5.473 -11.193 3.937 42 HA2 GLY 6 1HA GLY 6 -8.056 -11.102 3.569 43 HA3 GLY 6 2HA GLY 6 -8.203 -10.963 5.323 44 H LYS 7 H LYS 7 -9.425 -9.075 3.841 45 HA LYS 7 HA LYS 7 -7.693 -6.608 4.087 46 HB2 LYS 7 1HB LYS 7 -9.392 -5.377 2.982 47 HB3 LYS 7 2HB LYS 7 -9.046 -6.823 2.115 48 HG2 LYS 7 1HG LYS 7 -11.231 -7.843 3.222 49 HG3 LYS 7 2HG LYS 7 -11.522 -6.209 3.819 50 HD2 LYS 7 1HD LYS 7 -12.817 -6.592 1.838 51 HD3 LYS 7 2HD LYS 7 -11.674 -5.287 1.550 52 HE2 LYS 7 1HE LYS 7 -10.175 -6.737 0.229 53 HE3 LYS 7 2HE LYS 7 -11.094 -8.202 0.647 54 HZ1 LYS 7 3HZ LYS 7 -11.788 -7.134 -1.591 55 HZ2 LYS 7 1HZ LYS 7 -13.043 -7.171 -0.478 56 HZ3 LYS 7 2HZ LYS 7 -12.174 -5.767 -0.827 57 H TRP 8 H TRP 8 -9.027 -4.631 4.885 58 HA TRP 8 HA TRP 8 -9.489 -5.145 7.841 59 HB2 TRP 8 1HB TRP 8 -7.254 -3.468 6.482 60 HB3 TRP 8 2HB TRP 8 -7.572 -3.511 8.199 61 HD1 TRP 8 HD1 TRP 8 -5.655 -5.360 5.514 62 HE1 TRP 8 HE1 TRP 8 -4.634 -7.647 6.265 63 HE3 TRP 8 HE3 TRP 8 -8.057 -5.666 9.987 64 HZ2 TRP 8 HZ2 TRP 8 -4.833 -9.205 8.590 65 HZ3 TRP 8 HZ3 TRP 8 -7.622 -7.628 11.450 66 HH2 TRP 8 HH2 TRP 8 -6.046 -9.384 10.761 67 H LYS 9 H LYS 9 -10.855 -3.642 8.745 68 HA LYS 9 HA LYS 9 -10.910 -0.893 7.508 69 HB2 LYS 9 1HB LYS 9 -13.209 -0.553 7.441 70 HB3 LYS 9 2HB LYS 9 -12.819 -1.988 6.524 71 HG2 LYS 9 1HG LYS 9 -13.682 -3.436 8.459 72 HG3 LYS 9 2HG LYS 9 -14.090 -1.966 9.352 73 HD2 LYS 9 1HD LYS 9 -15.581 -1.204 7.438 74 HD3 LYS 9 2HD LYS 9 -15.196 -2.672 6.542 75 HE2 LYS 9 1HE LYS 9 -16.184 -4.087 8.438 76 HE3 LYS 9 2HE LYS 9 -16.566 -2.612 9.336 77 HZ1 LYS 9 3HZ LYS 9 -17.653 -3.258 6.584 78 HZ2 LYS 9 1HZ LYS 9 -18.529 -3.351 7.972 79 HZ3 LYS 9 2HZ LYS 9 -18.007 -1.894 7.418 80 H LEU 10 H LEU 10 -11.178 0.753 8.812 81 HA LEU 10 HA LEU 10 -9.723 0.522 11.182 82 HB2 LEU 10 1HB LEU 10 -9.898 2.443 9.487 83 HB3 LEU 10 2HB LEU 10 -11.326 2.982 10.358 84 HG LEU 10 HG LEU 10 -9.813 3.119 12.484 85 HD11 LEU 10 1HD1 LEU 10 -7.356 3.369 12.076 86 HD12 LEU 10 2HD1 LEU 10 -7.861 1.720 11.716 87 HD13 LEU 10 3HD1 LEU 10 -7.545 2.856 10.383 88 HD21 LEU 10 3HD2 LEU 10 -8.865 5.325 11.750 89 HD22 LEU 10 1HD2 LEU 10 -9.164 4.921 10.045 90 HD23 LEU 10 2HD2 LEU 10 -10.526 5.132 11.172 91 H SER 11 H SER 11 -9.997 0.365 13.232 92 HA SER 11 HA SER 11 -12.721 0.552 14.526 93 HB2 SER 11 1HB SER 11 -11.279 -1.522 14.823 94 HB3 SER 11 2HB SER 11 -10.135 -0.566 15.752 95 HG SER 11 HG SER 11 -11.988 0.041 17.100 96 H GLU 12 H GLU 12 -9.382 1.834 14.852 97 HA GLU 12 HA GLU 12 -10.395 4.253 16.325 98 HB2 GLU 12 1HB GLU 12 -8.711 4.073 18.165 99 HB3 GLU 12 2HB GLU 12 -10.003 2.894 18.241 100 HG2 GLU 12 1HG GLU 12 -8.618 1.108 17.445 101 HG3 GLU 12 2HG GLU 12 -7.269 2.164 17.010 102 H SER 13 H SER 13 -9.175 5.992 16.288 103 HA SER 13 HA SER 13 -6.497 6.017 14.806 104 HB2 SER 13 1HB SER 13 -8.212 6.901 13.245 105 HB3 SER 13 2HB SER 13 -8.741 8.096 14.445 106 HG SER 13 HG SER 13 -7.268 9.130 13.205 107 H HIS 14 H HIS 14 -5.121 6.625 16.227 108 HA HIS 14 HA HIS 14 -5.695 8.555 18.532 109 HB2 HIS 14 1HB HIS 14 -4.218 6.670 18.991 110 HB3 HIS 14 2HB HIS 14 -3.103 7.131 17.709 111 HD1 HIS 14 HD1 HIS 14 -4.253 8.207 21.256 112 HD2 HIS 14 HD2 HIS 14 -1.214 9.069 18.335 113 HE1 HIS 14 HE1 HIS 14 -2.402 9.683 22.306 114 HE2 HIS 14 HE2 HIS 14 -0.518 10.237 20.612 115 H ASN 15 H ASN 15 -3.525 8.576 15.687 116 HA ASN 15 HA ASN 15 -4.249 11.366 15.142 117 HB2 ASN 15 1HB ASN 15 -2.370 11.575 16.950 118 HB3 ASN 15 2HB ASN 15 -1.252 10.901 15.779 119 HD21 ASN 15 1HD2 ASN 15 -3.624 13.495 16.132 120 HD22 ASN 15 2HD2 ASN 15 -2.906 14.500 14.820 121 H PHE 16 H PHE 16 -4.727 9.126 13.650 122 HA PHE 16 HA PHE 16 -2.846 9.238 11.340 123 HB2 PHE 16 1HB PHE 16 -4.261 7.225 11.944 124 HB3 PHE 16 2HB PHE 16 -5.679 8.064 11.339 125 HD1 PHE 16 HD1 PHE 16 -2.123 7.299 10.226 126 HD2 PHE 16 HD2 PHE 16 -6.256 7.521 9.054 127 HE1 PHE 16 HE1 PHE 16 -1.511 6.648 7.914 128 HE2 PHE 16 HE2 PHE 16 -5.654 6.753 6.796 129 HZ PHE 16 HZ PHE 16 -3.305 6.351 6.196 130 H ASP 17 H ASP 17 -2.938 11.599 11.547 131 HA ASP 17 HA ASP 17 -4.420 12.868 9.268 132 HB2 ASP 17 1HB ASP 17 -5.243 14.714 10.760 133 HB3 ASP 17 2HB ASP 17 -6.013 13.161 10.994 134 H ALA 18 H ALA 18 -2.326 13.825 11.999 135 HA ALA 18 HA ALA 18 -0.741 15.691 10.247 136 HB1 ALA 18 3HB ALA 18 -1.313 16.192 12.721 137 HB2 ALA 18 1HB ALA 18 -0.108 14.951 13.166 138 HB3 ALA 18 2HB ALA 18 0.393 16.394 12.273 139 H VAL 19 H VAL 19 -0.361 12.494 11.460 140 HA VAL 19 HA VAL 19 2.415 11.875 10.915 141 HB VAL 19 HB VAL 19 0.595 10.450 12.022 142 HG11 VAL 19 1HG1 VAL 19 -0.680 8.857 10.863 143 HG12 VAL 19 2HG1 VAL 19 -1.128 10.479 10.274 144 HG13 VAL 19 3HG1 VAL 19 -0.135 9.392 9.257 145 HG21 VAL 19 3HG2 VAL 19 2.817 9.561 11.739 146 HG22 VAL 19 1HG2 VAL 19 1.674 8.288 11.345 147 HG23 VAL 19 2HG2 VAL 19 2.523 9.121 10.029 148 H MET 20 H MET 20 -0.259 12.136 8.730 149 HA MET 20 HA MET 20 1.337 11.441 6.279 150 HB2 MET 20 1HB MET 20 -1.613 12.279 6.693 151 HB3 MET 20 2HB MET 20 -0.918 12.092 5.105 152 HG2 MET 20 1HG MET 20 -1.184 9.826 7.174 153 HG3 MET 20 2HG MET 20 -2.162 10.083 5.733 154 HE1 MET 20 3HE MET 20 1.796 7.850 5.899 155 HE2 MET 20 1HE MET 20 1.507 9.175 7.056 156 HE3 MET 20 2HE MET 20 0.387 7.787 6.993 157 H SER 21 H SER 21 -0.292 14.363 7.606 158 HA SER 21 HA SER 21 0.706 16.130 5.510 159 HB2 SER 21 1HB SER 21 -1.173 16.681 7.279 160 HB3 SER 21 2HB SER 21 0.104 17.026 8.423 161 HG SER 21 HG SER 21 0.916 18.566 6.838 162 H LYS 22 H LYS 22 2.275 15.251 8.613 163 HA LYS 22 HA LYS 22 4.574 17.029 8.174 164 HB2 LYS 22 1HB LYS 22 5.431 16.309 10.079 165 HB3 LYS 22 2HB LYS 22 3.753 15.894 10.382 166 HG2 LYS 22 1HG LYS 22 4.082 13.567 10.192 167 HG3 LYS 22 2HG LYS 22 5.591 13.662 9.325 168 HD2 LYS 22 1HD LYS 22 5.245 14.532 12.268 169 HD3 LYS 22 2HD LYS 22 5.797 12.961 11.702 170 HE2 LYS 22 1HE LYS 22 7.728 14.231 10.428 171 HE3 LYS 22 2HE LYS 22 7.249 15.670 11.339 172 HZ1 LYS 22 3HZ LYS 22 7.597 14.290 13.502 173 HZ2 LYS 22 1HZ LYS 22 8.079 13.025 12.589 174 HZ3 LYS 22 2HZ LYS 22 8.965 14.414 12.662 175 H LEU 23 H LEU 23 3.799 13.948 6.801 176 HA LEU 23 HA LEU 23 6.498 13.572 5.603 177 HB2 LEU 23 1HB LEU 23 4.599 11.693 6.098 178 HB3 LEU 23 2HB LEU 23 3.992 12.195 4.547 179 HG LEU 23 HG LEU 23 6.595 11.878 3.774 180 HD11 LEU 23 1HD1 LEU 23 6.406 9.969 6.214 181 HD12 LEU 23 2HD1 LEU 23 7.746 10.079 5.060 182 HD13 LEU 23 3HD1 LEU 23 7.415 11.427 6.159 183 HD21 LEU 23 3HD2 LEU 23 6.060 9.496 3.185 184 HD22 LEU 23 1HD2 LEU 23 4.711 9.475 4.335 185 HD23 LEU 23 2HD2 LEU 23 4.648 10.522 2.897 186 H GLY 24 H GLY 24 3.308 14.701 4.554 187 HA2 GLY 24 1HA GLY 24 3.472 16.934 3.278 188 HA3 GLY 24 2HA GLY 24 4.580 16.160 2.156 189 H VAL 25 H VAL 25 1.351 15.485 3.470 190 HA VAL 25 HA VAL 25 0.512 14.368 0.839 191 HB VAL 25 HB VAL 25 -0.608 14.026 3.674 192 HG11 VAL 25 1HG1 VAL 25 -1.249 12.333 1.150 193 HG12 VAL 25 2HG1 VAL 25 -1.863 12.065 2.799 194 HG13 VAL 25 3HG1 VAL 25 -2.381 13.474 1.865 195 HG21 VAL 25 3HG2 VAL 25 0.502 11.702 3.438 196 HG22 VAL 25 1HG2 VAL 25 1.155 12.188 1.858 197 HG23 VAL 25 2HG2 VAL 25 1.691 13.012 3.337 198 H SER 26 H SER 26 -1.142 14.897 -0.297 199 HA SER 26 HA SER 26 -1.859 17.573 -0.600 200 HB2 SER 26 1HB SER 26 -1.913 15.702 -2.300 201 HB3 SER 26 2HB SER 26 -3.479 15.195 -1.685 202 HG SER 26 HG SER 26 -3.607 16.642 -3.474 203 H TRP 27 H TRP 27 -3.837 18.741 -0.632 204 HA TRP 27 HA TRP 27 -5.864 18.102 1.536 205 HB2 TRP 27 1HB TRP 27 -5.479 20.595 -0.249 206 HB3 TRP 27 2HB TRP 27 -6.868 20.389 0.796 207 HD1 TRP 27 HD1 TRP 27 -3.164 21.495 1.019 208 HE1 TRP 27 HE1 TRP 27 -2.661 22.461 3.405 209 HE3 TRP 27 HE3 TRP 27 -7.463 19.845 3.282 210 HZ2 TRP 27 HZ2 TRP 27 -3.980 22.286 5.925 211 HZ3 TRP 27 HZ3 TRP 27 -7.773 20.258 5.687 212 HH2 TRP 27 HH2 TRP 27 -6.081 21.489 6.999 213 H ALA 28 H ALA 28 -5.941 16.277 -0.042 214 HA ALA 28 HA ALA 28 -8.815 16.060 -0.624 215 HB1 ALA 28 3HB ALA 28 -8.161 16.959 -2.888 216 HB2 ALA 28 1HB ALA 28 -6.951 15.672 -3.083 217 HB3 ALA 28 2HB ALA 28 -8.685 15.271 -3.022 218 H THR 29 H THR 29 -5.649 14.521 -1.113 219 HA THR 29 HA THR 29 -6.683 11.759 -0.636 220 HB THR 29 HB THR 29 -4.311 11.020 -0.709 221 HG1 THR 29 HG1 THR 29 -2.619 12.449 -0.999 222 HG21 THR 29 3HG2 THR 29 -4.883 12.983 -3.011 223 HG22 THR 29 1HG2 THR 29 -3.650 11.714 -3.006 224 HG23 THR 29 2HG2 THR 29 -5.380 11.280 -2.917 225 H ARG 30 H ARG 30 -5.160 14.184 1.376 226 HA ARG 30 HA ARG 30 -4.656 12.376 3.673 227 HB2 ARG 30 1HB ARG 30 -3.677 14.821 3.031 228 HB3 ARG 30 2HB ARG 30 -5.107 15.402 3.812 229 HG2 ARG 30 1HG ARG 30 -4.156 13.703 5.810 230 HG3 ARG 30 2HG ARG 30 -2.667 13.915 4.907 231 HD2 ARG 30 1HD ARG 30 -4.455 16.129 6.101 232 HD3 ARG 30 2HD ARG 30 -2.926 15.543 6.767 233 HE ARG 30 HE ARG 30 -2.206 16.371 4.116 234 HH11 ARG 30 1HH1 ARG 30 -3.761 18.078 6.706 235 HH12 ARG 30 2HH1 ARG 30 -3.525 19.677 5.846 236 HH21 ARG 30 1HH2 ARG 30 -1.917 18.109 3.228 237 HH22 ARG 30 2HH2 ARG 30 -2.535 19.687 3.932 238 H GLN 31 H GLN 31 -7.417 13.738 2.310 239 HA GLN 31 HA GLN 31 -9.120 13.903 4.817 240 HB2 GLN 31 1HB GLN 31 -9.667 14.726 1.896 241 HB3 GLN 31 2HB GLN 31 -10.964 14.475 3.039 242 HG2 GLN 31 1HG GLN 31 -10.667 16.740 3.157 243 HG3 GLN 31 2HG GLN 31 -9.928 16.188 4.633 244 HE21 GLN 31 1HE2 GLN 31 -7.445 15.987 4.412 245 HE22 GLN 31 2HE2 GLN 31 -6.666 17.330 3.438 246 H ILE 32 H ILE 32 -8.708 11.949 1.886 247 HA ILE 32 HA ILE 32 -10.791 9.904 2.627 248 HB ILE 32 HB ILE 32 -8.781 10.263 0.399 249 HG12 ILE 32 1HG1 ILE 32 -10.731 9.388 -0.980 250 HG13 ILE 32 2HG1 ILE 32 -11.692 9.218 0.468 251 HG21 ILE 32 1HG2 ILE 32 -8.945 8.010 -0.485 252 HG22 ILE 32 2HG2 ILE 32 -8.151 7.929 1.085 253 HG23 ILE 32 3HG2 ILE 32 -9.847 7.420 0.922 254 HD11 ILE 32 3HD1 ILE 32 -12.145 11.310 -0.903 255 HD12 ILE 32 1HD1 ILE 32 -11.717 11.705 0.777 256 HD13 ILE 32 2HD1 ILE 32 -10.512 11.912 -0.511 257 H GLY 33 H GLY 33 -7.351 10.394 3.094 258 HA2 GLY 33 1HA GLY 33 -6.532 8.083 4.659 259 HA3 GLY 33 2HA GLY 33 -6.012 9.718 5.015 260 H ASN 34 H ASN 34 -7.988 11.054 6.161 261 HA ASN 34 HA ASN 34 -8.962 9.336 8.455 262 HB2 ASN 34 1HB ASN 34 -9.173 11.302 9.725 263 HB3 ASN 34 2HB ASN 34 -7.595 11.275 8.964 264 HD21 ASN 34 1HD2 ASN 34 -8.204 13.527 10.021 265 HD22 ASN 34 2HD2 ASN 34 -8.750 14.743 8.749 266 H THR 35 H THR 35 -10.305 8.857 6.069 267 HA THR 35 HA THR 35 -13.150 9.348 6.966 268 HB THR 35 HB THR 35 -12.188 10.138 4.165 269 HG1 THR 35 HG1 THR 35 -11.667 11.763 5.383 270 HG21 THR 35 3HG2 THR 35 -15.000 10.466 5.385 271 HG22 THR 35 1HG2 THR 35 -14.453 11.050 3.795 272 HG23 THR 35 2HG2 THR 35 -14.577 9.307 4.098 273 H VAL 36 H VAL 36 -11.298 7.921 4.185 274 HA VAL 36 HA VAL 36 -13.297 5.651 4.289 275 HB VAL 36 HB VAL 36 -11.519 6.403 1.908 276 HG11 VAL 36 1HG1 VAL 36 -13.082 4.875 0.669 277 HG12 VAL 36 2HG1 VAL 36 -12.421 3.991 2.050 278 HG13 VAL 36 3HG1 VAL 36 -14.075 4.636 2.118 279 HG21 VAL 36 3HG2 VAL 36 -13.830 7.249 0.915 280 HG22 VAL 36 1HG2 VAL 36 -14.318 7.429 2.637 281 HG23 VAL 36 2HG2 VAL 36 -12.936 8.301 2.032 282 H THR 37 H THR 37 -12.413 4.296 5.595 283 HA THR 37 HA THR 37 -10.034 3.862 6.588 284 HB THR 37 HB THR 37 -10.563 1.669 7.304 285 HG1 THR 37 HG1 THR 37 -11.288 1.171 4.929 286 HG21 THR 37 3HG2 THR 37 -12.766 1.948 8.270 287 HG22 THR 37 1HG2 THR 37 -12.353 3.635 7.825 288 HG23 THR 37 2HG2 THR 37 -13.416 2.678 6.801 289 HA PRO 38 HA PRO 38 -7.221 2.371 3.264 290 HB2 PRO 38 1HB PRO 38 -4.919 1.793 4.722 291 HB3 PRO 38 2HB PRO 38 -5.513 3.434 4.377 292 HG2 PRO 38 1HG PRO 38 -6.014 1.777 6.929 293 HG3 PRO 38 2HG PRO 38 -5.375 3.444 6.839 294 HD2 PRO 38 1HD PRO 38 -8.039 2.993 7.314 295 HD3 PRO 38 2HD PRO 38 -7.563 4.339 6.224 296 H THR 39 H THR 39 -8.376 0.668 2.606 297 HA THR 39 HA THR 39 -8.581 -1.858 3.946 298 HB THR 39 HB THR 39 -9.050 -1.309 0.980 299 HG1 THR 39 HG1 THR 39 -10.569 -0.084 1.355 300 HG21 THR 39 3HG2 THR 39 -10.572 -3.136 2.948 301 HG22 THR 39 1HG2 THR 39 -11.066 -2.785 1.273 302 HG23 THR 39 2HG2 THR 39 -9.540 -3.637 1.562 303 H VAL 40 H VAL 40 -6.181 -2.001 4.156 304 HA VAL 40 HA VAL 40 -4.546 -2.741 1.883 305 HB VAL 40 HB VAL 40 -2.666 -3.104 3.449 306 HG11 VAL 40 1HG1 VAL 40 -3.174 -0.884 2.418 307 HG12 VAL 40 2HG1 VAL 40 -4.202 -0.449 3.803 308 HG13 VAL 40 3HG1 VAL 40 -2.453 -0.704 4.027 309 HG21 VAL 40 3HG2 VAL 40 -4.605 -2.296 5.725 310 HG22 VAL 40 1HG2 VAL 40 -3.750 -3.845 5.571 311 HG23 VAL 40 2HG2 VAL 40 -2.834 -2.351 5.819 312 H THR 41 H THR 41 -5.921 -4.386 1.185 313 HA THR 41 HA THR 41 -6.518 -6.818 2.384 314 HB THR 41 HB THR 41 -6.224 -6.311 -0.584 315 HG1 THR 41 HG1 THR 41 -7.691 -4.951 -0.464 316 HG21 THR 41 3HG2 THR 41 -8.166 -8.242 0.808 317 HG22 THR 41 1HG2 THR 41 -8.324 -7.663 -0.872 318 HG23 THR 41 2HG2 THR 41 -6.919 -8.611 -0.390 319 H PHE 42 H PHE 42 -4.969 -8.064 3.245 320 HA PHE 42 HA PHE 42 -2.409 -8.569 1.707 321 HB2 PHE 42 1HB PHE 42 -2.371 -7.712 4.074 322 HB3 PHE 42 2HB PHE 42 -3.135 -9.185 4.642 323 HD1 PHE 42 HD1 PHE 42 -0.036 -7.882 2.912 324 HD2 PHE 42 HD2 PHE 42 -1.804 -11.237 4.940 325 HE1 PHE 42 HE1 PHE 42 2.179 -8.985 3.058 326 HE2 PHE 42 HE2 PHE 42 0.376 -12.331 5.045 327 HZ PHE 42 HZ PHE 42 2.390 -11.181 4.174 328 H THR 43 H THR 43 -2.439 -10.141 0.431 329 HA THR 43 HA THR 43 -3.628 -12.863 1.155 330 HB THR 43 HB THR 43 -4.578 -12.946 -1.126 331 HG1 THR 43 HG1 THR 43 -3.448 -10.350 -1.380 332 HG21 THR 43 3HG2 THR 43 -5.375 -10.171 -0.074 333 HG22 THR 43 1HG2 THR 43 -6.396 -11.370 -0.907 334 HG23 THR 43 2HG2 THR 43 -5.855 -11.615 0.790 335 H MET 44 H MET 44 -2.572 -14.673 0.402 336 HA MET 44 HA MET 44 0.083 -14.420 -0.992 337 HB2 MET 44 1HB MET 44 -0.342 -16.141 0.785 338 HB3 MET 44 2HB MET 44 -1.505 -16.957 -0.264 339 HG2 MET 44 1HG MET 44 0.357 -17.364 -1.968 340 HG3 MET 44 2HG MET 44 1.508 -16.562 -0.900 341 HE1 MET 44 3HE MET 44 2.946 -17.909 0.668 342 HE2 MET 44 1HE MET 44 1.671 -17.438 1.835 343 HE3 MET 44 2HE MET 44 2.282 -19.119 1.805 344 H ASP 45 H ASP 45 0.073 -13.922 -3.130 345 HA ASP 45 HA ASP 45 -2.227 -14.863 -4.914 346 HB2 ASP 45 1HB ASP 45 -1.660 -12.373 -4.664 347 HB3 ASP 45 2HB ASP 45 -0.147 -12.672 -5.515 348 H GLY 46 H GLY 46 -1.452 -16.940 -5.001 349 HA2 GLY 46 1HA GLY 46 -0.556 -18.695 -6.462 350 HA3 GLY 46 2HA GLY 46 0.477 -17.530 -7.256 351 H ASP 47 H ASP 47 2.144 -16.623 -5.652 352 HA ASP 47 HA ASP 47 3.457 -18.836 -4.033 353 HB2 ASP 47 1HB ASP 47 4.604 -18.737 -6.241 354 HB3 ASP 47 2HB ASP 47 4.912 -17.015 -6.065 355 H LYS 48 H LYS 48 3.744 -15.346 -4.786 356 HA LYS 48 HA LYS 48 4.578 -14.902 -1.907 357 HB2 LYS 48 1HB LYS 48 5.988 -13.255 -2.572 358 HB3 LYS 48 2HB LYS 48 6.170 -14.562 -3.719 359 HG2 LYS 48 1HG LYS 48 4.820 -13.178 -5.421 360 HG3 LYS 48 2HG LYS 48 4.729 -11.870 -4.233 361 HD2 LYS 48 1HD LYS 48 7.264 -11.831 -4.087 362 HD3 LYS 48 2HD LYS 48 7.371 -13.109 -5.286 363 HE2 LYS 48 1HE LYS 48 6.218 -10.270 -5.731 364 HE3 LYS 48 2HE LYS 48 7.830 -10.816 -6.173 365 HZ1 LYS 48 2HZ LYS 48 6.757 -12.499 -7.656 366 HZ3 LYS 48 1HZ LYS 48 6.455 -10.949 -8.107 367 H MET 49 H MET 49 4.252 -12.593 -1.163 368 HA MET 49 HA MET 49 1.289 -12.628 -0.663 369 HB2 MET 49 1HB MET 49 1.716 -11.596 1.453 370 HB3 MET 49 2HB MET 49 2.667 -13.036 1.225 371 HG2 MET 49 1HG MET 49 4.650 -11.303 0.542 372 HG3 MET 49 2HG MET 49 3.615 -10.140 1.365 373 HE1 MET 49 3HE MET 49 5.926 -10.569 4.321 374 HE2 MET 49 1HE MET 49 6.144 -10.096 2.611 375 HE3 MET 49 2HE MET 49 4.730 -9.507 3.530 376 H THR 50 H THR 50 -0.064 -10.884 -0.886 377 HA THR 50 HA THR 50 1.042 -8.435 -2.345 378 HB THR 50 HB THR 50 -1.435 -10.147 -3.100 379 HG1 THR 50 HG1 THR 50 0.622 -11.161 -3.450 380 HG21 THR 50 3HG2 THR 50 -1.580 -7.763 -3.921 381 HG22 THR 50 1HG2 THR 50 0.017 -7.925 -4.659 382 HG23 THR 50 2HG2 THR 50 -1.317 -8.920 -5.255 383 H MET 51 H MET 51 0.248 -6.636 -1.693 384 HA MET 51 HA MET 51 -2.181 -6.410 0.141 385 HB2 MET 51 1HB MET 51 0.052 -4.445 -0.569 386 HB3 MET 51 2HB MET 51 -1.504 -3.817 -0.092 387 HG2 MET 51 1HG MET 51 -1.412 -4.666 2.132 388 HG3 MET 51 2HG MET 51 -0.208 -5.891 1.744 389 HE1 MET 51 3HE MET 51 -0.477 -2.116 3.151 390 HE2 MET 51 1HE MET 51 0.710 -1.339 2.065 391 HE3 MET 51 2HE MET 51 -0.792 -2.023 1.394 392 H LEU 52 H LEU 52 -3.865 -6.727 -1.200 393 HA LEU 52 HA LEU 52 -4.167 -5.163 -3.766 394 HB2 LEU 52 1HB LEU 52 -6.318 -6.961 -2.521 395 HB3 LEU 52 2HB LEU 52 -6.226 -6.381 -4.144 396 HG LEU 52 HG LEU 52 -4.045 -8.223 -2.954 397 HD11 LEU 52 1HD1 LEU 52 -5.125 -10.164 -3.767 398 HD12 LEU 52 2HD1 LEU 52 -6.289 -9.347 -2.714 399 HD13 LEU 52 3HD1 LEU 52 -6.500 -9.258 -4.482 400 HD21 LEU 52 3HD2 LEU 52 -4.905 -7.621 -5.869 401 HD22 LEU 52 1HD2 LEU 52 -3.414 -7.098 -5.036 402 HD23 LEU 52 2HD2 LEU 52 -3.685 -8.818 -5.381 403 H THR 53 H THR 53 -3.780 -3.291 -2.399 404 HA THR 53 HA THR 53 -5.447 -2.226 -0.379 405 HB THR 53 HB THR 53 -3.638 -0.841 -2.420 406 HG1 THR 53 HG1 THR 53 -2.141 -1.061 -0.811 407 HG21 THR 53 3HG2 THR 53 -4.721 0.207 0.284 408 HG22 THR 53 1HG2 THR 53 -3.355 0.942 -0.615 409 HG23 THR 53 2HG2 THR 53 -4.982 0.933 -1.320 410 H GLU 54 H GLU 54 -7.450 -1.688 -0.430 411 HA GLU 54 HA GLU 54 -8.759 -0.820 -3.032 412 HB2 GLU 54 1HB GLU 54 -8.835 -3.192 -2.191 413 HB3 GLU 54 2HB GLU 54 -9.582 -2.684 -0.690 414 HG2 GLU 54 1HG GLU 54 -11.613 -1.920 -2.100 415 HG3 GLU 54 2HG GLU 54 -10.784 -2.647 -3.504 416 H SER 55 H SER 55 -8.381 1.352 -2.352 417 HA SER 55 HA SER 55 -10.292 2.506 -0.222 418 HB2 SER 55 1HB SER 55 -7.436 3.415 -1.021 419 HB3 SER 55 2HB SER 55 -8.448 4.167 0.215 420 HG SER 55 HG SER 55 -7.708 1.429 0.217 421 H THR 56 H THR 56 -10.939 4.814 -0.648 422 HA THR 56 HA THR 56 -11.879 5.233 -3.303 423 HB THR 56 HB THR 56 -11.618 7.211 -0.997 424 HG1 THR 56 HG1 THR 56 -13.961 6.164 -2.087 425 HG21 THR 56 3HG2 THR 56 -11.971 8.632 -3.056 426 HG22 THR 56 1HG2 THR 56 -13.298 7.582 -3.577 427 HG23 THR 56 2HG2 THR 56 -13.443 8.539 -2.080 428 H PHE 57 H PHE 57 -8.858 6.566 -2.059 429 HA PHE 57 HA PHE 57 -8.287 7.746 -4.814 430 HB2 PHE 57 1HB PHE 57 -7.245 8.432 -2.047 431 HB3 PHE 57 2HB PHE 57 -6.056 8.459 -3.289 432 HD1 PHE 57 HD1 PHE 57 -6.542 9.824 -5.523 433 HD2 PHE 57 HD2 PHE 57 -8.869 10.264 -1.933 434 HE1 PHE 57 HE1 PHE 57 -7.352 12.010 -6.309 435 HE2 PHE 57 HE2 PHE 57 -9.741 12.377 -2.761 436 HZ PHE 57 HZ PHE 57 -8.960 13.305 -4.936 437 H LYS 58 H LYS 58 -7.123 5.283 -2.604 438 HA LYS 58 HA LYS 58 -5.327 4.241 -4.885 439 HB2 LYS 58 1HB LYS 58 -4.792 3.923 -1.869 440 HB3 LYS 58 2HB LYS 58 -4.050 2.945 -3.121 441 HG2 LYS 58 1HG LYS 58 -3.284 5.224 -4.236 442 HG3 LYS 58 2HG LYS 58 -3.661 5.974 -2.699 443 HD2 LYS 58 1HD LYS 58 -1.796 3.514 -3.067 444 HD3 LYS 58 2HD LYS 58 -1.220 5.159 -3.121 445 HE2 LYS 58 1HE LYS 58 -1.858 5.611 -0.784 446 HE3 LYS 58 2HE LYS 58 -2.685 4.055 -0.630 447 HZ1 LYS 58 3HZ LYS 58 -0.557 2.864 -0.798 448 HZ2 LYS 58 1HZ LYS 58 0.205 4.001 -1.557 449 HZ3 LYS 58 2HZ LYS 58 -0.078 4.181 0.076 450 H ASN 59 H ASN 59 -7.494 3.409 -5.535 451 HA ASN 59 HA ASN 59 -7.872 0.590 -4.429 452 HB2 ASN 59 1HB ASN 59 -9.769 2.156 -5.273 453 HB3 ASN 59 2HB ASN 59 -9.219 1.830 -6.897 454 HD21 ASN 59 1HD2 ASN 59 -11.134 0.706 -4.332 455 HD22 ASN 59 2HD2 ASN 59 -11.527 -0.914 -5.118 456 H LEU 60 H LEU 60 -5.800 -0.206 -4.775 457 HA LEU 60 HA LEU 60 -5.044 -1.074 -7.507 458 HB2 LEU 60 1HB LEU 60 -2.885 0.162 -7.669 459 HB3 LEU 60 2HB LEU 60 -4.293 1.185 -7.682 460 HG LEU 60 HG LEU 60 -3.829 1.419 -5.026 461 HD11 LEU 60 1HD1 LEU 60 -1.824 -0.134 -4.911 462 HD12 LEU 60 2HD1 LEU 60 -0.988 0.816 -6.149 463 HD13 LEU 60 3HD1 LEU 60 -1.331 1.520 -4.556 464 HD21 LEU 60 3HD2 LEU 60 -2.183 2.906 -7.201 465 HD22 LEU 60 1HD2 LEU 60 -3.835 3.315 -6.679 466 HD23 LEU 60 2HD2 LEU 60 -2.479 3.486 -5.547 467 H SER 61 H SER 61 -3.404 -2.638 -7.616 468 HA SER 61 HA SER 61 -2.796 -3.983 -4.990 469 HB2 SER 61 1HB SER 61 -2.219 -5.958 -6.418 470 HB3 SER 61 2HB SER 61 -3.830 -5.335 -6.799 471 HG SER 61 HG SER 61 -1.506 -4.511 -8.229 472 H VAL 62 H VAL 62 -0.822 -4.366 -4.145 473 HA VAL 62 HA VAL 62 1.640 -3.986 -5.899 474 HB VAL 62 HB VAL 62 2.359 -3.519 -3.096 475 HG11 VAL 62 1HG1 VAL 62 2.818 -1.834 -5.635 476 HG12 VAL 62 2HG1 VAL 62 3.651 -1.631 -4.083 477 HG13 VAL 62 3HG1 VAL 62 3.885 -3.116 -5.014 478 HG21 VAL 62 3HG2 VAL 62 1.582 -1.180 -2.819 479 HG22 VAL 62 1HG2 VAL 62 0.563 -1.315 -4.282 480 HG23 VAL 62 2HG2 VAL 62 0.201 -2.304 -2.851 481 H THR 63 H THR 63 3.284 -5.434 -5.470 482 HA THR 63 HA THR 63 2.492 -7.991 -4.012 483 HB THR 63 HB THR 63 3.472 -8.009 -6.948 484 HG1 THR 63 HG1 THR 63 1.287 -7.218 -6.487 485 HG21 THR 63 3HG2 THR 63 4.010 -10.181 -6.070 486 HG22 THR 63 1HG2 THR 63 2.619 -10.227 -4.989 487 HG23 THR 63 2HG2 THR 63 2.394 -10.439 -6.743 488 H PHE 64 H PHE 64 4.083 -9.105 -3.235 489 HA PHE 64 HA PHE 64 6.998 -8.533 -3.567 490 HB2 PHE 64 1HB PHE 64 7.148 -7.391 -1.211 491 HB3 PHE 64 2HB PHE 64 6.602 -6.473 -2.577 492 HD1 PHE 64 HD1 PHE 64 4.846 -8.749 -0.039 493 HD2 PHE 64 HD2 PHE 64 4.760 -5.045 -2.217 494 HE1 PHE 64 HE1 PHE 64 2.630 -8.226 0.866 495 HE2 PHE 64 HE2 PHE 64 2.652 -4.451 -1.099 496 HZ PHE 64 HZ PHE 64 1.602 -6.054 0.460 497 H LYS 65 H LYS 65 8.278 -9.325 -1.703 498 HA LYS 65 HA LYS 65 7.025 -11.703 -0.284 499 HB2 LYS 65 1HB LYS 65 8.747 -13.222 -0.678 500 HB3 LYS 65 2HB LYS 65 8.336 -12.538 -2.223 501 HG2 LYS 65 1HG LYS 65 10.359 -11.061 -2.159 502 HG3 LYS 65 2HG LYS 65 10.812 -11.685 -0.572 503 HD2 LYS 65 1HD LYS 65 10.889 -14.046 -1.645 504 HD3 LYS 65 2HD LYS 65 10.590 -13.306 -3.210 505 HE2 LYS 65 1HE LYS 65 13.017 -12.746 -1.352 506 HE3 LYS 65 2HE LYS 65 13.014 -13.839 -2.737 507 HZ1 LYS 65 3HZ LYS 65 13.906 -11.714 -3.551 508 HZ2 LYS 65 1HZ LYS 65 12.347 -11.671 -4.105 509 HZ3 LYS 65 2HZ LYS 65 12.763 -10.796 -2.798 510 H PHE 66 H PHE 66 8.497 -12.534 1.556 511 HA PHE 66 HA PHE 66 8.722 -10.275 3.452 512 HB2 PHE 66 1HB PHE 66 9.411 -12.067 5.082 513 HB3 PHE 66 2HB PHE 66 7.774 -11.962 4.527 514 HD1 PHE 66 HD1 PHE 66 10.915 -13.971 4.182 515 HD2 PHE 66 HD2 PHE 66 6.696 -13.844 3.378 516 HE1 PHE 66 HE1 PHE 66 10.938 -16.388 3.673 517 HE2 PHE 66 HE2 PHE 66 6.730 -16.252 2.843 518 HZ PHE 66 HZ PHE 66 8.843 -17.531 2.999 519 H GLY 67 H GLY 67 10.188 -9.243 2.280 520 HA2 GLY 67 1HA GLY 67 12.951 -9.052 3.285 521 HA3 GLY 67 2HA GLY 67 12.940 -10.012 1.805 522 H GLU 68 H GLU 68 10.836 -8.418 0.518 523 HA GLU 68 HA GLU 68 12.692 -6.801 -0.952 524 HB2 GLU 68 1HB GLU 68 9.639 -6.587 -1.224 525 HB3 GLU 68 2HB GLU 68 10.848 -6.122 -2.410 526 HG2 GLU 68 1HG GLU 68 10.166 -8.950 -1.479 527 HG3 GLU 68 2HG GLU 68 9.734 -8.207 -3.020 528 H GLU 69 H GLU 69 13.035 -4.688 -1.180 529 HA GLU 69 HA GLU 69 11.480 -2.553 0.317 530 HB2 GLU 69 1HB GLU 69 12.951 -0.910 -0.680 531 HB3 GLU 69 2HB GLU 69 13.725 -2.067 0.374 532 HG2 GLU 69 1HG GLU 69 14.780 -3.251 -1.544 533 HG3 GLU 69 2HG GLU 69 13.916 -2.258 -2.707 534 H PHE 70 H PHE 70 9.468 -3.051 -0.526 535 HA PHE 70 HA PHE 70 8.999 -3.242 -3.410 536 HB2 PHE 70 1HB PHE 70 6.808 -3.744 -3.071 537 HB3 PHE 70 2HB PHE 70 7.755 -4.557 -1.871 538 HD1 PHE 70 HD1 PHE 70 5.299 -1.747 -2.405 539 HD2 PHE 70 HD2 PHE 70 7.207 -4.298 0.466 540 HE1 PHE 70 HE1 PHE 70 3.594 -1.135 -0.742 541 HE2 PHE 70 HE2 PHE 70 5.479 -3.697 2.144 542 HZ PHE 70 HZ PHE 70 3.668 -2.121 1.532 543 H ASP 71 H ASP 71 8.789 -1.537 -4.849 544 HA ASP 71 HA ASP 71 8.168 1.184 -3.832 545 HB2 ASP 71 1HB ASP 71 8.496 1.966 -6.221 546 HB3 ASP 71 2HB ASP 71 9.825 1.463 -5.243 547 H GLU 72 H GLU 72 6.480 2.419 -4.089 548 HA GLU 72 HA GLU 72 4.453 1.822 -6.227 549 HB2 GLU 72 1HB GLU 72 2.481 2.269 -4.971 550 HB3 GLU 72 2HB GLU 72 3.272 0.856 -4.316 551 HG2 GLU 72 1HG GLU 72 3.833 1.918 -2.246 552 HG3 GLU 72 2HG GLU 72 3.784 3.539 -2.905 553 H LYS 73 H LYS 73 3.485 3.653 -7.029 554 HA LYS 73 HA LYS 73 4.428 6.335 -5.939 555 HB2 LYS 73 1HB LYS 73 4.154 7.518 -7.828 556 HB3 LYS 73 2HB LYS 73 5.034 6.099 -8.289 557 HG2 LYS 73 1HG LYS 73 3.602 5.658 -9.930 558 HG3 LYS 73 2HG LYS 73 2.275 5.411 -8.817 559 HD2 LYS 73 1HD LYS 73 3.096 8.137 -10.020 560 HD3 LYS 73 2HD LYS 73 1.863 7.055 -10.670 561 HE2 LYS 73 1HE LYS 73 0.607 7.199 -8.400 562 HE3 LYS 73 2HE LYS 73 1.798 8.379 -7.876 563 HZ1 LYS 73 3HZ LYS 73 -0.069 8.718 -10.225 564 HZ2 LYS 73 1HZ LYS 73 -0.136 9.547 -8.805 565 HZ3 LYS 73 2HZ LYS 73 1.104 9.803 -9.861 566 H THR 74 H THR 74 3.110 7.289 -4.696 567 HA THR 74 HA THR 74 0.500 6.229 -4.106 568 HB THR 74 HB THR 74 0.352 7.965 -2.375 569 HG1 THR 74 HG1 THR 74 2.125 9.477 -2.285 570 HG21 THR 74 3HG2 THR 74 2.537 7.661 -1.166 571 HG22 THR 74 1HG2 THR 74 1.966 6.124 -1.843 572 HG23 THR 74 2HG2 THR 74 3.279 6.994 -2.644 573 H SER 75 H SER 75 -1.606 7.376 -3.989 574 HA SER 75 HA SER 75 -2.641 8.741 -6.244 575 HB2 SER 75 1HB SER 75 -4.467 9.458 -4.696 576 HB3 SER 75 2HB SER 75 -4.056 7.755 -4.562 577 HG SER 75 HG SER 75 -3.148 9.832 -2.806 578 H ASP 76 H ASP 76 -0.953 10.309 -3.605 579 HA ASP 76 HA ASP 76 -1.317 13.121 -4.331 580 HB2 ASP 76 1HB ASP 76 0.820 11.500 -2.813 581 HB3 ASP 76 2HB ASP 76 0.949 13.223 -3.040 582 H GLY 77 H GLY 77 0.806 10.638 -5.649 583 HA2 GLY 77 1HA GLY 77 2.392 10.882 -7.566 584 HA3 GLY 77 2HA GLY 77 2.355 12.624 -7.379 585 H ARG 78 H ARG 78 3.322 9.656 -5.608 586 HA ARG 78 HA ARG 78 5.960 10.952 -4.854 587 HB2 ARG 78 1HB ARG 78 4.314 9.553 -2.665 588 HB3 ARG 78 2HB ARG 78 5.835 10.379 -2.487 589 HG2 ARG 78 1HG ARG 78 3.180 11.778 -3.213 590 HG3 ARG 78 2HG ARG 78 3.669 11.428 -1.575 591 HD2 ARG 78 1HD ARG 78 5.723 12.857 -1.805 592 HD3 ARG 78 2HD ARG 78 5.339 13.230 -3.473 593 HE ARG 78 HE ARG 78 3.864 14.244 -0.999 594 HH11 ARG 78 1HH1 ARG 78 3.706 14.010 -4.487 595 HH12 ARG 78 2HH1 ARG 78 2.363 15.240 -4.540 596 HH21 ARG 78 1HH2 ARG 78 2.392 15.594 -1.105 597 HH22 ARG 78 2HH2 ARG 78 1.695 16.135 -2.709 598 H ASN 79 H ASN 79 7.285 9.447 -5.782 599 HA ASN 79 HA ASN 79 6.684 6.530 -5.767 600 HB2 ASN 79 1HB ASN 79 8.761 6.143 -6.875 601 HB3 ASN 79 2HB ASN 79 7.771 7.307 -7.699 602 HD21 ASN 79 1HD2 ASN 79 8.652 9.399 -8.036 603 HD22 ASN 79 2HD2 ASN 79 10.400 9.735 -7.573 604 H VAL 80 H VAL 80 6.889 5.286 -3.983 605 HA VAL 80 HA VAL 80 9.118 5.919 -1.997 606 HB VAL 80 HB VAL 80 7.796 5.738 -0.107 607 HG11 VAL 80 1HG1 VAL 80 6.164 7.685 -1.871 608 HG12 VAL 80 2HG1 VAL 80 6.485 7.802 -0.121 609 HG13 VAL 80 3HG1 VAL 80 7.802 8.014 -1.301 610 HG21 VAL 80 3HG2 VAL 80 5.211 5.301 -1.775 611 HG22 VAL 80 1HG2 VAL 80 5.972 4.114 -0.694 612 HG23 VAL 80 2HG2 VAL 80 5.276 5.589 -0.013 613 H LYS 81 H LYS 81 9.788 4.248 -0.788 614 HA LYS 81 HA LYS 81 9.147 1.467 -1.846 615 HB2 LYS 81 1HB LYS 81 11.839 2.760 -1.203 616 HB3 LYS 81 2HB LYS 81 11.650 1.067 -0.786 617 HG2 LYS 81 1HG LYS 81 10.916 0.485 -3.094 618 HG3 LYS 81 2HG LYS 81 11.007 2.184 -3.581 619 HD2 LYS 81 1HD LYS 81 13.412 2.259 -3.435 620 HD3 LYS 81 2HD LYS 81 13.496 0.853 -2.398 621 HE2 LYS 81 1HE LYS 81 14.329 0.175 -4.511 622 HE3 LYS 81 2HE LYS 81 12.837 -0.696 -4.210 623 HZ1 LYS 81 3HZ LYS 81 13.330 0.613 -6.550 624 HZ2 LYS 81 1HZ LYS 81 11.793 0.287 -6.067 625 HZ3 LYS 81 2HZ LYS 81 12.459 1.784 -5.776 626 H SER 82 H SER 82 9.481 -0.234 -0.239 627 HA SER 82 HA SER 82 9.152 0.549 2.673 628 HB2 SER 82 1HB SER 82 7.015 -0.903 1.015 629 HB3 SER 82 2HB SER 82 7.017 -0.897 2.785 630 HG SER 82 HG SER 82 7.324 1.547 1.435 631 H VAL 83 H VAL 83 10.704 -0.617 3.633 632 HA VAL 83 HA VAL 83 11.645 -3.184 2.359 633 HB VAL 83 HB VAL 83 13.209 -1.450 2.778 634 HG11 VAL 83 1HG1 VAL 83 12.956 -1.930 5.797 635 HG12 VAL 83 2HG1 VAL 83 14.264 -1.049 4.973 636 HG13 VAL 83 3HG1 VAL 83 12.614 -0.431 4.877 637 HG21 VAL 83 3HG2 VAL 83 13.961 -3.806 2.530 638 HG22 VAL 83 1HG2 VAL 83 15.018 -2.927 3.655 639 HG23 VAL 83 2HG2 VAL 83 13.810 -4.071 4.282 640 H VAL 84 H VAL 84 10.491 -4.816 2.755 641 HA VAL 84 HA VAL 84 8.994 -5.237 5.281 642 HB VAL 84 HB VAL 84 9.322 -7.045 2.805 643 HG11 VAL 84 1HG1 VAL 84 8.514 -8.372 4.856 644 HG12 VAL 84 2HG1 VAL 84 7.183 -7.233 5.046 645 HG13 VAL 84 3HG1 VAL 84 7.284 -8.243 3.583 646 HG21 VAL 84 3HG2 VAL 84 8.171 -4.879 2.291 647 HG22 VAL 84 1HG2 VAL 84 7.037 -6.233 2.182 648 HG23 VAL 84 2HG2 VAL 84 6.994 -5.149 3.593 649 H GLU 85 H GLU 85 9.469 -6.392 6.868 650 HA GLU 85 HA GLU 85 10.457 -9.029 6.344 651 HB2 GLU 85 1HB GLU 85 12.676 -8.085 6.856 652 HB3 GLU 85 2HB GLU 85 12.172 -7.625 8.471 653 HG2 GLU 85 1HG GLU 85 13.516 -9.730 8.456 654 HG3 GLU 85 2HG GLU 85 11.932 -10.038 9.131 655 H LYS 86 H LYS 86 9.838 -10.503 7.734 656 HA LYS 86 HA LYS 86 7.430 -9.955 9.482 657 HB2 LYS 86 1HB LYS 86 7.484 -11.801 7.685 658 HB3 LYS 86 2HB LYS 86 8.852 -12.533 8.529 659 HG2 LYS 86 1HG LYS 86 7.074 -12.541 10.605 660 HG3 LYS 86 2HG LYS 86 5.885 -12.441 9.331 661 HD2 LYS 86 1HD LYS 86 8.045 -14.621 9.770 662 HD3 LYS 86 2HD LYS 86 6.353 -14.713 10.183 663 HE2 LYS 86 1HE LYS 86 6.437 -16.023 8.288 664 HE3 LYS 86 2HE LYS 86 5.716 -14.542 7.707 665 HZ1 LYS 86 3HZ LYS 86 7.554 -15.280 6.169 666 HZ2 LYS 86 1HZ LYS 86 8.057 -13.889 6.890 667 HZ3 LYS 86 2HZ LYS 86 8.639 -15.321 7.403 668 H ASN 87 H ASN 87 7.743 -9.797 11.617 669 HA ASN 87 HA ASN 87 10.377 -10.621 12.954 670 HB2 ASN 87 1HB ASN 87 9.685 -8.311 13.326 671 HB3 ASN 87 2HB ASN 87 8.078 -8.773 13.805 672 HD21 ASN 87 1HD2 ASN 87 11.471 -9.310 14.842 673 HD22 ASN 87 2HD2 ASN 87 10.997 -9.218 16.617 674 H SER 88 H SER 88 6.864 -11.034 13.233 675 HA SER 88 HA SER 88 7.308 -13.955 13.813 676 HB2 SER 88 1HB SER 88 6.927 -12.890 16.082 677 HB3 SER 88 2HB SER 88 5.366 -12.249 15.538 678 HG SER 88 HG SER 88 5.357 -14.324 16.693 679 H GLU 89 H GLU 89 5.024 -15.056 13.609 680 HA GLU 89 HA GLU 89 3.710 -14.347 11.032 681 HB2 GLU 89 1HB GLU 89 3.297 -16.453 13.243 682 HB3 GLU 89 2HB GLU 89 2.026 -16.196 12.099 683 HG2 GLU 89 1HG GLU 89 4.889 -16.954 11.240 684 HG3 GLU 89 2HG GLU 89 3.570 -18.085 11.500 685 H SER 90 H SER 90 3.493 -12.835 13.733 686 HA SER 90 HA SER 90 1.004 -11.486 12.982 687 HB2 SER 90 1HB SER 90 0.061 -11.285 15.350 688 HB3 SER 90 2HB SER 90 0.063 -12.941 14.754 689 HG SER 90 HG SER 90 2.055 -13.227 15.901 690 H LYS 91 H LYS 91 3.862 -10.755 12.750 691 HA LYS 91 HA LYS 91 3.650 -7.991 13.786 692 HB2 LYS 91 1HB LYS 91 4.648 -9.799 15.648 693 HB3 LYS 91 2HB LYS 91 6.134 -9.482 14.823 694 HG2 LYS 91 1HG LYS 91 4.269 -7.483 16.239 695 HG3 LYS 91 2HG LYS 91 5.746 -8.179 16.863 696 HD2 LYS 91 1HD LYS 91 6.995 -6.997 14.886 697 HD3 LYS 91 2HD LYS 91 5.508 -6.114 14.574 698 HE2 LYS 91 1HE LYS 91 7.091 -6.177 17.253 699 HE3 LYS 91 2HE LYS 91 7.233 -4.915 16.034 700 HZ1 LYS 91 3HZ LYS 91 4.753 -4.420 16.424 701 HZ2 LYS 91 1HZ LYS 91 4.678 -5.529 17.639 702 HZ3 LYS 91 2HZ LYS 91 5.637 -4.200 17.802 703 H LEU 92 H LEU 92 4.070 -7.213 11.785 704 HA LEU 92 HA LEU 92 6.732 -7.903 10.392 705 HB2 LEU 92 1HB LEU 92 4.713 -8.923 9.476 706 HB3 LEU 92 2HB LEU 92 3.888 -7.393 9.274 707 HG LEU 92 HG LEU 92 6.616 -7.694 7.950 708 HD11 LEU 92 1HD1 LEU 92 5.543 -9.901 7.435 709 HD12 LEU 92 2HD1 LEU 92 4.105 -9.077 6.789 710 HD13 LEU 92 3HD1 LEU 92 5.677 -8.898 5.985 711 HD21 LEU 92 3HD2 LEU 92 5.234 -5.552 7.681 712 HD22 LEU 92 1HD2 LEU 92 5.510 -6.334 6.126 713 HD23 LEU 92 2HD2 LEU 92 3.946 -6.507 6.937 714 H THR 93 H THR 93 7.956 -6.218 9.531 715 HA THR 93 HA THR 93 7.053 -3.360 10.247 716 HB THR 93 HB THR 93 8.635 -4.400 11.813 717 HG1 THR 93 HG1 THR 93 9.873 -2.262 10.469 718 HG21 THR 93 3HG2 THR 93 10.915 -4.828 11.423 719 HG22 THR 93 1HG2 THR 93 10.152 -5.524 9.959 720 HG23 THR 93 2HG2 THR 93 10.961 -3.953 9.877 721 H GLN 94 H GLN 94 6.283 -3.388 8.099 722 HA GLN 94 HA GLN 94 8.082 -3.399 5.781 723 HB2 GLN 94 1HB GLN 94 6.243 -2.894 4.376 724 HB3 GLN 94 2HB GLN 94 5.845 -4.139 5.529 725 HG2 GLN 94 1HG GLN 94 4.409 -2.617 6.847 726 HG3 GLN 94 2HG GLN 94 4.974 -1.205 5.984 727 HE21 GLN 94 1HE2 GLN 94 3.679 -0.565 4.334 728 HE22 GLN 94 2HE2 GLN 94 2.439 -1.652 3.524 729 H THR 95 H THR 95 9.280 -1.825 7.108 730 HA THR 95 HA THR 95 9.032 0.802 7.582 731 HB THR 95 HB THR 95 11.798 -0.191 6.814 732 HG1 THR 95 HG1 THR 95 10.953 -1.736 8.085 733 HG21 THR 95 3HG2 THR 95 11.849 2.161 7.527 734 HG22 THR 95 1HG2 THR 95 10.684 1.882 8.808 735 HG23 THR 95 2HG2 THR 95 12.296 1.190 8.949 736 H GLN 96 H GLN 96 8.485 2.553 6.438 737 HA GLN 96 HA GLN 96 8.571 2.466 3.523 738 HB2 GLN 96 1HB GLN 96 7.152 4.054 5.617 739 HB3 GLN 96 2HB GLN 96 7.621 5.046 4.263 740 HG2 GLN 96 1HG GLN 96 6.515 3.449 2.657 741 HG3 GLN 96 2HG GLN 96 6.011 2.451 4.018 742 HE21 GLN 96 1HE2 GLN 96 5.809 5.923 2.929 743 HE22 GLN 96 2HE2 GLN 96 4.086 6.040 3.551 744 H VAL 97 H VAL 97 9.952 3.326 2.116 745 HA VAL 97 HA VAL 97 12.159 5.217 3.119 746 HB VAL 97 HB VAL 97 12.240 2.911 1.075 747 HG11 VAL 97 1HG1 VAL 97 13.625 4.773 0.139 748 HG12 VAL 97 2HG1 VAL 97 14.312 5.080 1.745 749 HG13 VAL 97 3HG1 VAL 97 14.722 3.580 0.860 750 HG21 VAL 97 3HG2 VAL 97 12.519 2.159 3.443 751 HG22 VAL 97 1HG2 VAL 97 14.097 2.111 2.646 752 HG23 VAL 97 2HG2 VAL 97 13.696 3.448 3.766 753 H ASP 98 H ASP 98 10.556 6.829 2.774 754 HA ASP 98 HA ASP 98 9.566 7.490 0.127 755 HB2 ASP 98 1HB ASP 98 9.549 9.155 2.729 756 HB3 ASP 98 2HB ASP 98 8.377 9.250 1.454 757 HA PRO 99 HA PRO 99 12.601 11.109 -0.567 758 HB2 PRO 99 1HB PRO 99 10.945 13.342 -1.014 759 HB3 PRO 99 2HB PRO 99 11.327 12.097 -2.222 760 HG2 PRO 99 1HG PRO 99 8.853 12.194 -0.392 761 HG3 PRO 99 2HG PRO 99 8.881 12.009 -2.167 762 HD2 PRO 99 1HD PRO 99 8.650 9.827 -0.546 763 HD3 PRO 99 2HD PRO 99 9.678 9.705 -2.000 764 H LYS 100 H LYS 100 10.358 10.992 1.930 765 HA LYS 100 HA LYS 100 11.992 12.842 3.745 766 HB2 LYS 100 1HB LYS 100 9.386 11.242 4.155 767 HB3 LYS 100 2HB LYS 100 10.251 11.868 5.527 768 HG2 LYS 100 1HG LYS 100 9.084 13.591 3.253 769 HG3 LYS 100 2HG LYS 100 8.391 13.283 4.833 770 HD2 LYS 100 1HD LYS 100 10.643 14.233 5.833 771 HD3 LYS 100 2HD LYS 100 10.967 14.841 4.222 772 HE2 LYS 100 1HE LYS 100 8.610 15.561 6.096 773 HE3 LYS 100 2HE LYS 100 9.988 16.580 5.701 774 HZ1 LYS 100 3HZ LYS 100 9.127 16.513 3.270 775 HZ2 LYS 100 1HZ LYS 100 7.754 15.780 3.819 776 HZ3 LYS 100 2HZ LYS 100 8.117 17.301 4.316 777 H ASN 101 H ASN 101 11.616 9.354 3.119 778 HA ASN 101 HA ASN 101 12.137 7.448 4.343 779 HB2 ASN 101 1HB ASN 101 14.301 9.067 5.798 780 HB3 ASN 101 2HB ASN 101 14.042 7.346 5.918 781 HD21 ASN 101 1HD2 ASN 101 15.019 9.861 3.692 782 HD22 ASN 101 2HD2 ASN 101 15.781 8.674 2.511 783 H THR 102 H THR 102 10.372 6.921 5.342 784 HA THR 102 HA THR 102 9.383 8.187 7.846 785 HB THR 102 HB THR 102 8.494 5.673 6.329 786 HG1 THR 102 HG1 THR 102 8.073 7.359 4.994 787 HG21 THR 102 3HG2 THR 102 6.265 5.931 7.311 788 HG22 THR 102 1HG2 THR 102 7.390 5.693 8.653 789 HG23 THR 102 2HG2 THR 102 6.786 7.323 8.264 790 H THR 103 H THR 103 9.015 7.083 9.855 791 HA THR 103 HA THR 103 11.283 5.364 10.766 792 HB THR 103 HB THR 103 8.912 6.629 12.171 793 HG1 THR 103 HG1 THR 103 11.064 7.581 11.156 794 HG21 THR 103 3HG2 THR 103 11.432 5.402 13.477 795 HG22 THR 103 1HG2 THR 103 10.145 6.322 14.288 796 HG23 THR 103 2HG2 THR 103 9.791 4.732 13.589 797 H VAL 104 H VAL 104 10.836 3.367 12.008 798 HA VAL 104 HA VAL 104 9.634 1.352 10.472 799 HB VAL 104 HB VAL 104 9.756 -0.173 12.391 800 HG11 VAL 104 1HG1 VAL 104 11.663 0.049 10.865 801 HG12 VAL 104 2HG1 VAL 104 12.332 1.408 11.796 802 HG13 VAL 104 3HG1 VAL 104 12.243 -0.219 12.509 803 HG21 VAL 104 3HG2 VAL 104 10.945 0.434 14.482 804 HG22 VAL 104 1HG2 VAL 104 10.992 2.150 14.025 805 HG23 VAL 104 2HG2 VAL 104 9.446 1.362 14.385 806 H ILE 105 H ILE 105 7.520 1.444 9.811 807 HA ILE 105 HA ILE 105 5.287 1.770 11.775 808 HB ILE 105 HB ILE 105 3.826 1.741 9.905 809 HG12 ILE 105 1HG1 ILE 105 4.815 0.257 8.245 810 HG13 ILE 105 2HG1 ILE 105 4.432 1.841 7.591 811 HG21 ILE 105 1HG2 ILE 105 6.211 3.685 9.570 812 HG22 ILE 105 2HG2 ILE 105 4.629 3.927 8.855 813 HG23 ILE 105 3HG2 ILE 105 4.831 3.909 10.626 814 HD11 ILE 105 3HD1 ILE 105 7.039 0.472 8.005 815 HD12 ILE 105 1HD1 ILE 105 6.473 1.436 6.610 816 HD13 ILE 105 2HD1 ILE 105 7.094 2.255 8.067 817 H VAL 106 H VAL 106 6.271 -0.099 12.765 818 HA VAL 106 HA VAL 106 5.863 -2.795 12.117 819 HB VAL 106 HB VAL 106 5.643 -3.317 14.592 820 HG11 VAL 106 1HG1 VAL 106 8.009 -1.530 13.740 821 HG12 VAL 106 2HG1 VAL 106 7.985 -2.590 15.163 822 HG13 VAL 106 3HG1 VAL 106 7.865 -3.285 13.542 823 HG21 VAL 106 3HG2 VAL 106 6.196 -0.331 15.154 824 HG22 VAL 106 1HG2 VAL 106 4.568 -0.996 15.213 825 HG23 VAL 106 2HG2 VAL 106 5.828 -1.629 16.317 826 H ARG 107 H ARG 107 4.243 -3.828 11.394 827 HA ARG 107 HA ARG 107 1.416 -3.180 12.281 828 HB2 ARG 107 1HB ARG 107 0.470 -4.025 10.444 829 HB3 ARG 107 2HB ARG 107 1.667 -2.801 10.068 830 HG2 ARG 107 1HG ARG 107 3.158 -4.436 9.000 831 HG3 ARG 107 2HG ARG 107 2.111 -5.788 9.449 832 HD2 ARG 107 1HD ARG 107 0.165 -4.763 8.170 833 HD3 ARG 107 2HD ARG 107 1.098 -3.320 7.864 834 HE ARG 107 HE ARG 107 2.418 -4.375 6.148 835 HH11 ARG 107 1HH1 ARG 107 0.094 -6.639 7.405 836 HH12 ARG 107 2HH1 ARG 107 0.125 -7.584 5.838 837 HH21 ARG 107 1HH2 ARG 107 2.437 -5.411 4.495 838 HH22 ARG 107 2HH2 ARG 107 1.450 -6.940 4.281 839 H GLU 108 H GLU 108 0.794 -4.231 13.930 840 HA GLU 108 HA GLU 108 1.663 -7.137 14.393 841 HB2 GLU 108 1HB GLU 108 2.683 -5.385 15.854 842 HB3 GLU 108 2HB GLU 108 1.090 -4.821 16.357 843 HG2 GLU 108 1HG GLU 108 0.617 -7.009 17.494 844 HG3 GLU 108 2HG GLU 108 2.119 -7.698 16.915 845 H VAL 109 H VAL 109 -0.011 -8.573 14.457 846 HA VAL 109 HA VAL 109 -2.817 -7.456 14.617 847 HB VAL 109 HB VAL 109 -2.407 -8.690 12.607 848 HG11 VAL 109 1HG1 VAL 109 -2.265 -11.153 12.498 849 HG12 VAL 109 2HG1 VAL 109 -0.893 -10.465 13.380 850 HG13 VAL 109 3HG1 VAL 109 -2.205 -11.273 14.271 851 HG21 VAL 109 3HG2 VAL 109 -4.592 -9.905 14.368 852 HG22 VAL 109 1HG2 VAL 109 -4.727 -8.513 13.279 853 HG23 VAL 109 2HG2 VAL 109 -4.477 -10.129 12.613 854 H ASP 110 H ASP 110 -3.921 -7.537 16.382 855 HA ASP 110 HA ASP 110 -3.064 -9.368 18.614 856 HB2 ASP 110 1HB ASP 110 -5.046 -7.026 18.389 857 HB3 ASP 110 2HB ASP 110 -4.915 -7.973 19.839 858 H GLY 111 H GLY 111 -3.735 -10.971 16.819 859 HA2 GLY 111 1HA GLY 111 -5.046 -13.110 16.817 860 HA3 GLY 111 2HA GLY 111 -6.382 -12.299 17.611 861 H ASP 112 H ASP 112 -7.644 -10.889 16.358 862 HA ASP 112 HA ASP 112 -7.219 -10.777 13.317 863 HB2 ASP 112 1HB ASP 112 -9.900 -11.473 14.697 864 HB3 ASP 112 2HB ASP 112 -9.730 -11.098 12.998 865 H THR 113 H THR 113 -6.465 -8.772 14.992 866 HA THR 113 HA THR 113 -8.089 -6.529 13.965 867 HB THR 113 HB THR 113 -9.113 -6.915 16.141 868 HG1 THR 113 HG1 THR 113 -7.752 -4.418 16.015 869 HG21 THR 113 3HG2 THR 113 -6.642 -5.682 17.485 870 HG22 THR 113 1HG2 THR 113 -8.201 -6.097 18.219 871 HG23 THR 113 2HG2 THR 113 -7.107 -7.381 17.672 872 H MET 114 H MET 114 -6.461 -6.229 12.663 873 HA MET 114 HA MET 114 -3.680 -6.205 13.414 874 HB2 MET 114 1HB MET 114 -4.186 -6.896 11.277 875 HB3 MET 114 2HB MET 114 -4.698 -5.315 10.736 876 HG2 MET 114 1HG MET 114 -2.392 -4.420 10.972 877 HG3 MET 114 2HG MET 114 -1.892 -5.808 11.936 878 HE1 MET 114 3HE MET 114 0.095 -6.365 10.693 879 HE2 MET 114 1HE MET 114 -0.735 -7.915 10.904 880 HE3 MET 114 2HE MET 114 0.056 -7.534 9.356 881 H LYS 115 H LYS 115 -2.872 -4.997 14.752 882 HA LYS 115 HA LYS 115 -3.495 -2.016 15.010 883 HB2 LYS 115 1HB LYS 115 -3.697 -3.599 16.939 884 HB3 LYS 115 2HB LYS 115 -2.017 -4.052 16.769 885 HG2 LYS 115 1HG LYS 115 -1.483 -1.451 17.202 886 HG3 LYS 115 2HG LYS 115 -3.181 -1.350 17.669 887 HD2 LYS 115 1HD LYS 115 -2.042 -1.781 19.707 888 HD3 LYS 115 2HD LYS 115 -2.818 -3.298 19.282 889 HE2 LYS 115 1HE LYS 115 -0.140 -3.363 18.061 890 HE3 LYS 115 2HE LYS 115 0.092 -2.650 19.645 891 HZ1 LYS 115 3HZ LYS 115 0.226 -5.195 19.556 892 HZ2 LYS 115 1HZ LYS 115 -0.957 -4.710 20.640 893 HZ3 LYS 115 2HZ LYS 115 -1.443 -5.255 19.187 894 H THR 116 H THR 116 -2.341 -1.027 13.493 895 HA THR 116 HA THR 116 0.675 -1.483 13.325 896 HB THR 116 HB THR 116 -0.236 -2.042 11.238 897 HG1 THR 116 HG1 THR 116 1.306 0.339 11.275 898 HG21 THR 116 3HG2 THR 116 -0.837 -0.370 9.547 899 HG22 THR 116 1HG2 THR 116 -2.099 -0.462 10.800 900 HG23 THR 116 2HG2 THR 116 -0.952 0.912 10.770 901 H THR 117 H THR 117 1.363 -0.248 14.777 902 HA THR 117 HA THR 117 0.462 2.454 15.410 903 HB THR 117 HB THR 117 3.129 1.008 16.052 904 HG1 THR 117 HG1 THR 117 1.960 0.560 18.050 905 HG21 THR 117 3HG2 THR 117 3.137 3.433 16.765 906 HG22 THR 117 1HG2 THR 117 1.631 3.178 17.678 907 HG23 THR 117 2HG2 THR 117 3.131 2.352 18.166 908 H VAL 118 H VAL 118 0.552 3.827 13.587 909 HA VAL 118 HA VAL 118 3.016 3.673 11.881 910 HB VAL 118 HB VAL 118 0.836 3.485 10.905 911 HG11 VAL 118 1HG1 VAL 118 -0.510 5.302 11.978 912 HG12 VAL 118 2HG1 VAL 118 0.451 6.522 11.106 913 HG13 VAL 118 3HG1 VAL 118 -0.527 5.357 10.217 914 HG21 VAL 118 3HG2 VAL 118 1.487 5.248 8.940 915 HG22 VAL 118 1HG2 VAL 118 2.964 5.416 9.931 916 HG23 VAL 118 2HG2 VAL 118 2.457 3.826 9.307 917 H THR 119 H THR 119 4.686 4.582 12.864 918 HA THR 119 HA THR 119 4.486 7.440 13.935 919 HB THR 119 HB THR 119 5.059 5.897 15.641 920 HG1 THR 119 HG1 THR 119 7.363 6.651 15.930 921 HG21 THR 119 3HG2 THR 119 6.083 3.965 14.425 922 HG22 THR 119 1HG2 THR 119 7.487 4.944 13.992 923 HG23 THR 119 2HG2 THR 119 7.152 4.544 15.706 924 H VAL 120 H VAL 120 6.060 8.927 13.481 925 HA VAL 120 HA VAL 120 8.144 8.410 11.273 926 HB VAL 120 HB VAL 120 6.359 10.863 11.005 927 HG11 VAL 120 1HG1 VAL 120 8.573 10.729 9.762 928 HG12 VAL 120 2HG1 VAL 120 8.011 9.232 8.990 929 HG13 VAL 120 3HG1 VAL 120 7.192 10.745 8.648 930 HG21 VAL 120 3HG2 VAL 120 5.722 8.079 9.929 931 HG22 VAL 120 1HG2 VAL 120 4.742 9.129 10.943 932 HG23 VAL 120 2HG2 VAL 120 5.010 9.599 9.240 933 H GLY 121 H GLY 121 9.592 8.597 13.028 934 HA2 GLY 121 1HA GLY 121 11.039 9.708 14.572 935 HA3 GLY 121 2HA GLY 121 10.446 11.255 14.011 936 H ASP 122 H ASP 122 7.921 11.163 14.656 937 HA ASP 122 HA ASP 122 7.732 11.233 17.674 938 HB2 ASP 122 1HB ASP 122 7.797 13.784 17.692 939 HB3 ASP 122 2HB ASP 122 9.301 13.030 17.223 940 H VAL 123 H VAL 123 5.870 10.087 15.976 941 HA VAL 123 HA VAL 123 3.408 11.809 16.607 942 HB VAL 123 HB VAL 123 3.751 10.311 13.929 943 HG11 VAL 123 1HG1 VAL 123 1.423 11.989 15.153 944 HG12 VAL 123 2HG1 VAL 123 1.560 11.702 13.431 945 HG13 VAL 123 3HG1 VAL 123 1.336 10.328 14.531 946 HG21 VAL 123 3HG2 VAL 123 3.676 13.361 14.520 947 HG22 VAL 123 1HG2 VAL 123 5.090 12.454 13.954 948 HG23 VAL 123 2HG2 VAL 123 3.664 12.604 12.905 949 H THR 124 H THR 124 4.227 8.481 15.645 950 HA THR 124 HA THR 124 3.176 6.451 16.150 951 HB THR 124 HB THR 124 3.106 7.856 18.854 952 HG1 THR 124 HG1 THR 124 5.103 7.770 17.922 953 HG21 THR 124 3HG2 THR 124 3.238 5.756 20.012 954 HG22 THR 124 1HG2 THR 124 1.829 5.570 18.956 955 HG23 THR 124 2HG2 THR 124 3.391 4.826 18.528 956 H ALA 125 H ALA 125 1.462 6.652 14.719 957 HA ALA 125 HA ALA 125 -1.219 7.554 15.875 958 HB1 ALA 125 3HB ALA 125 -0.078 7.302 13.044 959 HB2 ALA 125 1HB ALA 125 -1.800 7.540 13.310 960 HB3 ALA 125 2HB ALA 125 -0.612 8.733 13.898 961 H ILE 126 H ILE 126 -1.765 5.738 17.041 962 HA ILE 126 HA ILE 126 -1.579 3.057 16.204 963 HB ILE 126 HB ILE 126 -2.180 4.076 18.529 964 HG12 ILE 126 1HG1 ILE 126 -3.216 1.791 19.253 965 HG13 ILE 126 2HG1 ILE 126 -3.095 1.302 17.569 966 HG21 ILE 126 1HG2 ILE 126 -4.598 4.851 17.867 967 HG22 ILE 126 2HG2 ILE 126 -5.047 3.157 17.882 968 HG23 ILE 126 3HG2 ILE 126 -4.434 3.902 19.364 969 HD11 ILE 126 3HD1 ILE 126 -1.071 0.613 18.926 970 HD12 ILE 126 1HD1 ILE 126 -0.571 1.762 17.672 971 HD13 ILE 126 2HD1 ILE 126 -0.747 2.308 19.348 972 H ARG 127 H ARG 127 -2.151 2.376 14.249 973 HA ARG 127 HA ARG 127 -5.030 2.815 13.345 974 HB2 ARG 127 1HB ARG 127 -3.041 1.325 11.650 975 HB3 ARG 127 2HB ARG 127 -4.631 1.939 11.247 976 HG2 ARG 127 1HG ARG 127 -3.507 4.341 11.741 977 HG3 ARG 127 2HG ARG 127 -1.999 3.456 11.627 978 HD2 ARG 127 1HD ARG 127 -4.154 3.864 9.460 979 HD3 ARG 127 2HD ARG 127 -2.494 4.464 9.502 980 HE ARG 127 HE ARG 127 -2.665 1.473 9.442 981 HH11 ARG 127 1HH1 ARG 127 -2.468 4.302 7.442 982 HH12 ARG 127 2HH1 ARG 127 -2.077 3.305 5.957 983 HH21 ARG 127 1HH2 ARG 127 -2.420 0.366 7.718 984 HH22 ARG 127 2HH2 ARG 127 -2.025 1.188 6.139 985 H ASN 128 H ASN 128 -6.238 1.462 14.508 986 HA ASN 128 HA ASN 128 -5.597 -1.540 14.508 987 HB2 ASN 128 1HB ASN 128 -6.121 -0.098 16.732 988 HB3 ASN 128 2HB ASN 128 -7.784 -0.288 16.207 989 HD21 ASN 128 1HD2 ASN 128 -7.062 -1.150 18.585 990 HD22 ASN 128 2HD2 ASN 128 -6.981 -3.000 18.583 991 H TYR 129 H TYR 129 -6.827 -2.799 13.245 992 HA TYR 129 HA TYR 129 -9.564 -1.916 12.319 993 HB2 TYR 129 1HB TYR 129 -8.687 -2.692 9.877 994 HB3 TYR 129 2HB TYR 129 -8.784 -1.095 10.413 995 HD1 TYR 129 HD1 TYR 129 -6.205 -3.818 10.391 996 HD2 TYR 129 HD2 TYR 129 -7.040 0.355 9.861 997 HE1 TYR 129 HE1 TYR 129 -3.983 -3.501 9.366 998 HE2 TYR 129 HE2 TYR 129 -4.815 0.685 8.909 999 HH TYR 129 HH TYR 129 -2.622 -2.087 8.428 1000 H LYS 130 H LYS 130 -10.876 -3.503 11.445 1001 HA LYS 130 HA LYS 130 -10.229 -6.214 12.706 1002 HB2 LYS 130 1HB LYS 130 -12.854 -4.733 12.122 1003 HB3 LYS 130 2HB LYS 130 -12.886 -6.472 12.214 1004 HG2 LYS 130 1HG LYS 130 -13.453 -5.629 14.377 1005 HG3 LYS 130 2HG LYS 130 -11.952 -6.543 14.473 1006 HD2 LYS 130 1HD LYS 130 -10.622 -4.409 14.480 1007 HD3 LYS 130 2HD LYS 130 -12.076 -3.457 14.328 1008 HE2 LYS 130 1HE LYS 130 -11.784 -5.433 16.698 1009 HE3 LYS 130 2HE LYS 130 -10.765 -4.008 16.680 1010 HZ1 LYS 130 3HZ LYS 130 -13.005 -3.636 17.829 1011 HZ2 LYS 130 1HZ LYS 130 -12.656 -2.533 16.661 1012 HZ3 LYS 130 2HZ LYS 130 -13.749 -3.736 16.360 1013 H ARG 131 H ARG 131 -10.411 -8.113 11.763 1014 HA ARG 131 HA ARG 131 -9.547 -8.237 9.000 1015 HB2 ARG 131 1HB ARG 131 -8.878 -9.666 11.066 1016 HB3 ARG 131 2HB ARG 131 -10.348 -10.593 10.811 1017 HG2 ARG 131 1HG ARG 131 -9.498 -11.181 8.451 1018 HG3 ARG 131 2HG ARG 131 -8.030 -10.252 8.770 1019 HD2 ARG 131 1HD ARG 131 -7.581 -11.689 10.836 1020 HD3 ARG 131 2HD ARG 131 -9.027 -12.649 10.464 1021 HE ARG 131 HE ARG 131 -7.303 -12.695 8.095 1022 HH11 ARG 131 1HH1 ARG 131 -7.283 -13.926 11.446 1023 HH12 ARG 131 2HH1 ARG 131 -6.180 -15.296 10.900 1024 HH21 ARG 131 1HH2 ARG 131 -6.087 -14.178 7.657 1025 HH22 ARG 131 2HH2 ARG 131 -5.418 -15.361 8.887 1026 H LEU 132 H LEU 132 -10.615 -8.417 7.219 1027 HA LEU 132 HA LEU 132 -13.433 -9.636 7.144 1028 HB2 LEU 132 1HB LEU 132 -12.161 -7.446 5.433 1029 HB3 LEU 132 2HB LEU 132 -13.795 -8.083 5.207 1030 HG LEU 132 HG LEU 132 -12.670 -6.413 7.521 1031 HD11 LEU 132 1HD1 LEU 132 -13.213 -5.213 5.393 1032 HD12 LEU 132 2HD1 LEU 132 -14.860 -5.896 5.387 1033 HD13 LEU 132 3HD1 LEU 132 -14.365 -4.756 6.655 1034 HD21 LEU 132 3HD2 LEU 132 -14.256 -7.939 8.609 1035 HD22 LEU 132 1HD2 LEU 132 -14.972 -6.333 8.507 1036 HD23 LEU 132 2HD2 LEU 132 -15.517 -7.612 7.397 1037 H SER 133 H SER 133 -13.890 -11.115 5.705 1038 HA SER 133 HA SER 133 -12.053 -11.816 3.377 1039 HB2 SER 133 1HB SER 133 -11.274 -13.199 5.351 1040 HB3 SER 133 2HB SER 133 -12.889 -13.926 5.476 1041 HG SER 133 HG SER 133 -11.480 -15.185 4.194 1042 HXT SER 133 HXT SER 133 -13.934 -12.607 2.276 Start of MODEL 16 1 H1 MET 1 1H MET 1 -0.995 -10.297 5.522 2 H2 MET 1 2H MET 1 -1.252 -11.692 4.708 3 HA MET 1 HA MET 1 1.032 -11.234 4.692 4 HB2 MET 1 1HB MET 1 2.376 -11.125 6.750 5 HB3 MET 1 2HB MET 1 1.370 -9.741 6.375 6 HG2 MET 1 1HG MET 1 -0.131 -10.121 8.202 7 HG3 MET 1 2HG MET 1 0.387 -11.768 8.486 8 HE1 MET 1 3HE MET 1 3.538 -11.568 10.541 9 HE2 MET 1 1HE MET 1 2.079 -12.477 10.080 10 HE3 MET 1 2HE MET 1 3.349 -12.166 8.862 11 H SER 2 H SER 2 0.480 -13.269 7.537 12 HA SER 2 HA SER 2 0.655 -15.720 5.805 13 HB2 SER 2 1HB SER 2 3.017 -15.226 6.156 14 HB3 SER 2 2HB SER 2 2.800 -14.875 7.870 15 HG SER 2 HG SER 2 3.640 -16.840 7.907 16 H SER 3 H SER 3 1.081 -15.497 9.371 17 HA SER 3 HA SER 3 -1.286 -17.137 9.909 18 HB2 SER 3 1HB SER 3 0.597 -16.769 11.534 19 HB3 SER 3 2HB SER 3 0.046 -15.109 11.807 20 HG SER 3 HG SER 3 -2.080 -16.194 12.295 21 H PHE 4 H PHE 4 -1.116 -13.712 9.266 22 HA PHE 4 HA PHE 4 -4.127 -13.557 9.621 23 HB2 PHE 4 1HB PHE 4 -4.149 -11.334 10.378 24 HB3 PHE 4 2HB PHE 4 -3.434 -12.455 11.486 25 HD1 PHE 4 HD1 PHE 4 -0.758 -12.438 11.753 26 HD2 PHE 4 HD2 PHE 4 -3.038 -9.275 9.916 27 HE1 PHE 4 HE1 PHE 4 0.984 -10.816 12.336 28 HE2 PHE 4 HE2 PHE 4 -1.313 -7.657 10.581 29 HZ PHE 4 HZ PHE 4 0.693 -8.418 11.834 30 H LEU 5 H LEU 5 -3.285 -14.372 7.318 31 HA LEU 5 HA LEU 5 -3.367 -12.412 5.152 32 HB2 LEU 5 1HB LEU 5 -4.318 -15.332 5.377 33 HB3 LEU 5 2HB LEU 5 -4.376 -14.436 3.876 34 HG LEU 5 HG LEU 5 -1.714 -14.678 5.424 35 HD11 LEU 5 1HD1 LEU 5 -2.529 -16.993 5.004 36 HD12 LEU 5 2HD1 LEU 5 -2.815 -16.623 3.284 37 HD13 LEU 5 3HD1 LEU 5 -1.163 -16.609 3.949 38 HD21 LEU 5 3HD2 LEU 5 -2.363 -14.244 2.443 39 HD22 LEU 5 1HD2 LEU 5 -1.908 -12.932 3.536 40 HD23 LEU 5 2HD2 LEU 5 -0.744 -14.188 3.162 41 H GLY 6 H GLY 6 -5.011 -11.204 4.320 42 HA2 GLY 6 1HA GLY 6 -7.690 -11.817 3.812 43 HA3 GLY 6 2HA GLY 6 -7.773 -11.272 5.500 44 H LYS 7 H LYS 7 -9.294 -9.925 4.007 45 HA LYS 7 HA LYS 7 -7.915 -7.351 3.290 46 HB2 LYS 7 1HB LYS 7 -9.803 -6.277 2.598 47 HB3 LYS 7 2HB LYS 7 -9.601 -7.744 1.711 48 HG2 LYS 7 1HG LYS 7 -11.714 -7.357 3.912 49 HG3 LYS 7 2HG LYS 7 -11.921 -6.968 2.221 50 HD2 LYS 7 1HD LYS 7 -11.311 -9.409 1.630 51 HD3 LYS 7 2HD LYS 7 -11.408 -9.789 3.354 52 HE2 LYS 7 1HE LYS 7 -13.819 -9.029 3.420 53 HE3 LYS 7 2HE LYS 7 -13.719 -8.494 1.736 54 HZ1 LYS 7 3HZ LYS 7 -13.046 -10.956 1.228 55 HZ2 LYS 7 1HZ LYS 7 -13.608 -11.356 2.723 56 HZ3 LYS 7 2HZ LYS 7 -14.624 -10.716 1.614 57 H TRP 8 H TRP 8 -7.670 -5.677 4.650 58 HA TRP 8 HA TRP 8 -9.020 -5.886 7.361 59 HB2 TRP 8 1HB TRP 8 -6.289 -4.553 7.179 60 HB3 TRP 8 2HB TRP 8 -7.109 -5.271 8.560 61 HD1 TRP 8 HD1 TRP 8 -7.202 -8.427 7.061 62 HE1 TRP 8 HE1 TRP 8 -4.934 -9.823 7.067 63 HE3 TRP 8 HE3 TRP 8 -3.997 -4.499 7.912 64 HZ2 TRP 8 HZ2 TRP 8 -2.230 -9.144 7.292 65 HZ3 TRP 8 HZ3 TRP 8 -1.570 -4.976 8.051 66 HH2 TRP 8 HH2 TRP 8 -0.701 -7.253 7.744 67 H LYS 9 H LYS 9 -10.096 -3.999 7.854 68 HA LYS 9 HA LYS 9 -9.408 -1.511 6.240 69 HB2 LYS 9 1HB LYS 9 -11.543 -0.875 5.787 70 HB3 LYS 9 2HB LYS 9 -11.429 -2.541 5.284 71 HG2 LYS 9 1HG LYS 9 -12.708 -3.224 7.428 72 HG3 LYS 9 2HG LYS 9 -12.811 -1.512 7.854 73 HD2 LYS 9 1HD LYS 9 -13.918 -1.119 5.509 74 HD3 LYS 9 2HD LYS 9 -14.021 -2.877 5.355 75 HE2 LYS 9 1HE LYS 9 -15.396 -2.972 7.517 76 HE3 LYS 9 2HE LYS 9 -15.224 -1.222 7.702 77 HZ1 LYS 9 3HZ LYS 9 -16.389 -0.921 5.522 78 HZ2 LYS 9 1HZ LYS 9 -16.559 -2.537 5.323 79 HZ3 LYS 9 2HZ LYS 9 -17.365 -1.769 6.535 80 H LEU 10 H LEU 10 -9.307 0.310 7.360 81 HA LEU 10 HA LEU 10 -8.486 0.291 9.984 82 HB2 LEU 10 1HB LEU 10 -8.172 2.082 8.204 83 HB3 LEU 10 2HB LEU 10 -9.754 2.725 8.631 84 HG LEU 10 HG LEU 10 -8.821 2.961 11.075 85 HD11 LEU 10 1HD1 LEU 10 -6.719 1.551 10.769 86 HD12 LEU 10 2HD1 LEU 10 -6.109 2.728 9.590 87 HD13 LEU 10 3HD1 LEU 10 -6.364 3.201 11.286 88 HD21 LEU 10 3HD2 LEU 10 -7.747 5.150 10.521 89 HD22 LEU 10 1HD2 LEU 10 -7.600 4.698 8.813 90 HD23 LEU 10 2HD2 LEU 10 -9.208 4.923 9.546 91 H SER 11 H SER 11 -9.313 0.185 11.905 92 HA SER 11 HA SER 11 -12.293 0.186 12.383 93 HB2 SER 11 1HB SER 11 -11.017 -1.855 13.032 94 HB3 SER 11 2HB SER 11 -10.067 -0.912 14.179 95 HG SER 11 HG SER 11 -12.274 -0.255 15.016 96 H GLU 12 H GLU 12 -9.352 1.835 13.426 97 HA GLU 12 HA GLU 12 -10.983 4.144 14.160 98 HB2 GLU 12 1HB GLU 12 -10.311 4.593 16.429 99 HB3 GLU 12 2HB GLU 12 -11.151 3.074 16.294 100 HG2 GLU 12 1HG GLU 12 -9.518 2.400 17.732 101 HG3 GLU 12 2HG GLU 12 -8.716 1.980 16.237 102 H SER 13 H SER 13 -9.821 6.048 14.449 103 HA SER 13 HA SER 13 -7.076 6.083 13.052 104 HB2 SER 13 1HB SER 13 -8.756 6.972 11.542 105 HB3 SER 13 2HB SER 13 -9.528 7.948 12.798 106 HG SER 13 HG SER 13 -7.737 9.267 12.883 107 H HIS 14 H HIS 14 -5.999 5.995 15.088 108 HA HIS 14 HA HIS 14 -6.756 7.704 17.271 109 HB2 HIS 14 1HB HIS 14 -5.361 5.412 17.181 110 HB3 HIS 14 2HB HIS 14 -3.965 6.454 17.239 111 HD1 HIS 14 HD1 HIS 14 -6.852 5.058 19.167 112 HD2 HIS 14 HD2 HIS 14 -4.019 8.269 19.666 113 HE1 HIS 14 HE1 HIS 14 -6.795 5.842 21.671 114 HE2 HIS 14 HE2 HIS 14 -5.141 7.805 22.041 115 H ASN 15 H ASN 15 -3.768 8.042 15.424 116 HA ASN 15 HA ASN 15 -4.437 10.882 15.097 117 HB2 ASN 15 1HB ASN 15 -1.757 10.203 16.462 118 HB3 ASN 15 2HB ASN 15 -1.881 11.600 15.417 119 HD21 ASN 15 1HD2 ASN 15 -3.880 13.053 15.895 120 HD22 ASN 15 2HD2 ASN 15 -4.078 13.359 17.698 121 H PHE 16 H PHE 16 -4.839 8.959 13.425 122 HA PHE 16 HA PHE 16 -2.749 9.093 11.273 123 HB2 PHE 16 1HB PHE 16 -4.220 7.090 11.842 124 HB3 PHE 16 2HB PHE 16 -5.606 7.958 11.234 125 HD1 PHE 16 HD1 PHE 16 -2.125 6.945 10.182 126 HD2 PHE 16 HD2 PHE 16 -6.224 7.467 8.991 127 HE1 PHE 16 HE1 PHE 16 -1.634 5.907 7.954 128 HE2 PHE 16 HE2 PHE 16 -5.754 6.382 6.841 129 HZ PHE 16 HZ PHE 16 -3.502 5.569 6.309 130 H ASP 17 H ASP 17 -2.917 11.484 11.655 131 HA ASP 17 HA ASP 17 -4.744 12.937 9.763 132 HB2 ASP 17 1HB ASP 17 -5.168 14.508 11.699 133 HB3 ASP 17 2HB ASP 17 -5.853 12.906 11.836 134 H ALA 18 H ALA 18 -2.266 13.797 12.079 135 HA ALA 18 HA ALA 18 -0.889 15.668 10.090 136 HB1 ALA 18 3HB ALA 18 -1.269 16.337 12.563 137 HB2 ALA 18 1HB ALA 18 -0.139 15.031 13.029 138 HB3 ALA 18 2HB ALA 18 0.436 16.420 12.076 139 H VAL 19 H VAL 19 -0.428 12.541 11.279 140 HA VAL 19 HA VAL 19 2.391 12.018 10.982 141 HB VAL 19 HB VAL 19 0.558 10.573 12.018 142 HG11 VAL 19 1HG1 VAL 19 -0.584 8.868 10.825 143 HG12 VAL 19 2HG1 VAL 19 -1.057 10.460 10.172 144 HG13 VAL 19 3HG1 VAL 19 0.046 9.393 9.250 145 HG21 VAL 19 3HG2 VAL 19 2.893 9.806 11.816 146 HG22 VAL 19 1HG2 VAL 19 1.757 8.476 11.638 147 HG23 VAL 19 2HG2 VAL 19 2.555 9.140 10.191 148 H MET 20 H MET 20 -0.084 12.079 8.552 149 HA MET 20 HA MET 20 1.825 11.337 6.336 150 HB2 MET 20 1HB MET 20 -1.175 12.005 6.101 151 HB3 MET 20 2HB MET 20 -0.101 11.536 4.786 152 HG2 MET 20 1HG MET 20 0.307 9.284 5.877 153 HG3 MET 20 2HG MET 20 -0.854 9.719 7.139 154 HE1 MET 20 3HE MET 20 -1.839 8.623 2.765 155 HE2 MET 20 1HE MET 20 -0.683 9.950 3.046 156 HE3 MET 20 2HE MET 20 -0.316 8.303 3.645 157 H SER 21 H SER 21 -0.040 14.237 7.428 158 HA SER 21 HA SER 21 0.929 16.040 5.350 159 HB2 SER 21 1HB SER 21 -1.022 16.447 6.966 160 HB3 SER 21 2HB SER 21 0.136 16.731 8.263 161 HG SER 21 HG SER 21 1.024 18.438 6.966 162 H LYS 22 H LYS 22 2.423 15.271 8.518 163 HA LYS 22 HA LYS 22 4.779 16.996 8.000 164 HB2 LYS 22 1HB LYS 22 5.391 16.574 10.070 165 HB3 LYS 22 2HB LYS 22 3.800 15.861 10.262 166 HG2 LYS 22 1HG LYS 22 4.812 13.565 9.755 167 HG3 LYS 22 2HG LYS 22 6.416 14.283 9.741 168 HD2 LYS 22 1HD LYS 22 4.420 14.476 12.081 169 HD3 LYS 22 2HD LYS 22 5.558 13.166 11.907 170 HE2 LYS 22 1HE LYS 22 6.467 16.120 12.224 171 HE3 LYS 22 2HE LYS 22 6.101 15.056 13.566 172 HZ1 LYS 22 3HZ LYS 22 7.810 13.409 12.385 173 HZ2 LYS 22 1HZ LYS 22 8.448 14.805 11.750 174 HZ3 LYS 22 2HZ LYS 22 8.332 14.547 13.402 175 H LEU 23 H LEU 23 3.967 13.907 6.889 176 HA LEU 23 HA LEU 23 6.650 13.134 5.799 177 HB2 LEU 23 1HB LEU 23 4.591 11.581 6.577 178 HB3 LEU 23 2HB LEU 23 3.927 11.999 5.018 179 HG LEU 23 HG LEU 23 6.287 11.203 4.078 180 HD11 LEU 23 1HD1 LEU 23 7.383 9.458 5.419 181 HD12 LEU 23 2HD1 LEU 23 7.421 10.977 6.311 182 HD13 LEU 23 3HD1 LEU 23 6.268 9.704 6.775 183 HD21 LEU 23 3HD2 LEU 23 5.284 8.781 4.102 184 HD22 LEU 23 1HD2 LEU 23 4.120 9.315 5.306 185 HD23 LEU 23 2HD2 LEU 23 4.088 10.004 3.664 186 H GLY 24 H GLY 24 3.688 14.721 4.609 187 HA2 GLY 24 1HA GLY 24 4.251 16.703 3.103 188 HA3 GLY 24 2HA GLY 24 5.285 15.671 2.151 189 H VAL 25 H VAL 25 1.915 15.726 3.279 190 HA VAL 25 HA VAL 25 0.866 14.457 0.864 191 HB VAL 25 HB VAL 25 -0.418 15.728 3.356 192 HG11 VAL 25 1HG1 VAL 25 -2.166 16.033 1.573 193 HG12 VAL 25 2HG1 VAL 25 -1.908 14.372 1.023 194 HG13 VAL 25 3HG1 VAL 25 -2.551 14.659 2.619 195 HG21 VAL 25 3HG2 VAL 25 -0.974 13.331 3.780 196 HG22 VAL 25 1HG2 VAL 25 -0.234 12.843 2.233 197 HG23 VAL 25 2HG2 VAL 25 0.780 13.474 3.498 198 H SER 26 H SER 26 -0.070 15.201 -0.893 199 HA SER 26 HA SER 26 0.333 18.078 -1.714 200 HB2 SER 26 1HB SER 26 -0.716 15.687 -3.346 201 HB3 SER 26 2HB SER 26 -0.279 17.252 -4.005 202 HG SER 26 HG SER 26 1.272 15.389 -4.109 203 H TRP 27 H TRP 27 -1.620 17.884 0.155 204 HA TRP 27 HA TRP 27 -3.923 17.715 0.764 205 HB2 TRP 27 1HB TRP 27 -3.707 19.865 -1.402 206 HB3 TRP 27 2HB TRP 27 -5.266 19.604 -0.650 207 HD1 TRP 27 HD1 TRP 27 -2.214 21.700 -0.096 208 HE1 TRP 27 HE1 TRP 27 -2.385 23.031 2.160 209 HE3 TRP 27 HE3 TRP 27 -5.984 18.915 1.981 210 HZ2 TRP 27 HZ2 TRP 27 -3.952 22.724 4.524 211 HZ3 TRP 27 HZ3 TRP 27 -6.804 19.514 4.243 212 HH2 TRP 27 HH2 TRP 27 -5.814 21.386 5.491 213 H ALA 28 H ALA 28 -3.414 15.538 -1.157 214 HA ALA 28 HA ALA 28 -6.331 15.103 -1.895 215 HB1 ALA 28 3HB ALA 28 -4.696 14.839 -3.735 216 HB2 ALA 28 1HB ALA 28 -3.821 13.585 -2.841 217 HB3 ALA 28 2HB ALA 28 -5.485 13.296 -3.377 218 H THR 29 H THR 29 -3.641 13.412 -0.280 219 HA THR 29 HA THR 29 -5.516 11.306 0.821 220 HB THR 29 HB THR 29 -3.604 10.281 1.920 221 HG1 THR 29 HG1 THR 29 -1.716 12.020 0.725 222 HG21 THR 29 3HG2 THR 29 -2.872 11.008 -0.966 223 HG22 THR 29 1HG2 THR 29 -2.114 9.745 0.014 224 HG23 THR 29 2HG2 THR 29 -3.843 9.611 -0.440 225 H ARG 30 H ARG 30 -4.858 14.325 1.940 226 HA ARG 30 HA ARG 30 -4.846 13.764 4.877 227 HB2 ARG 30 1HB ARG 30 -4.771 16.289 3.151 228 HB3 ARG 30 2HB ARG 30 -5.619 16.468 4.654 229 HG2 ARG 30 1HG ARG 30 -3.670 15.660 5.977 230 HG3 ARG 30 2HG ARG 30 -2.692 15.448 4.566 231 HD2 ARG 30 1HD ARG 30 -4.028 18.193 5.075 232 HD3 ARG 30 2HD ARG 30 -2.664 17.685 6.064 233 HE ARG 30 HE ARG 30 -1.980 17.338 3.207 234 HH11 ARG 30 1HH1 ARG 30 -2.304 19.793 5.633 235 HH12 ARG 30 2HH1 ARG 30 -1.071 20.871 4.820 236 HH21 ARG 30 1HH2 ARG 30 -0.483 18.582 2.319 237 HH22 ARG 30 2HH2 ARG 30 -0.167 20.210 3.050 238 H GLN 31 H GLN 31 -7.207 13.598 2.555 239 HA GLN 31 HA GLN 31 -9.494 14.162 4.508 240 HB2 GLN 31 1HB GLN 31 -9.560 14.118 1.420 241 HB3 GLN 31 2HB GLN 31 -10.964 14.255 2.462 242 HG2 GLN 31 1HG GLN 31 -10.593 16.461 1.787 243 HG3 GLN 31 2HG GLN 31 -10.026 16.428 3.439 244 HE21 GLN 31 1HE2 GLN 31 -8.596 15.685 0.258 245 HE22 GLN 31 2HE2 GLN 31 -7.170 16.817 0.483 246 H ILE 32 H ILE 32 -8.437 11.849 1.941 247 HA ILE 32 HA ILE 32 -10.649 9.928 2.675 248 HB ILE 32 HB ILE 32 -8.613 10.085 0.444 249 HG12 ILE 32 1HG1 ILE 32 -10.658 9.406 -0.926 250 HG13 ILE 32 2HG1 ILE 32 -11.635 9.404 0.525 251 HG21 ILE 32 1HG2 ILE 32 -8.201 7.734 1.066 252 HG22 ILE 32 2HG2 ILE 32 -9.927 7.408 1.253 253 HG23 ILE 32 3HG2 ILE 32 -9.256 7.737 -0.351 254 HD11 ILE 32 3HD1 ILE 32 -11.795 11.494 -0.926 255 HD12 ILE 32 1HD1 ILE 32 -11.355 11.878 0.753 256 HD13 ILE 32 2HD1 ILE 32 -10.107 11.889 -0.516 257 H GLY 33 H GLY 33 -7.268 10.314 3.335 258 HA2 GLY 33 1HA GLY 33 -6.605 7.816 4.762 259 HA3 GLY 33 2HA GLY 33 -5.943 9.392 5.151 260 H ASN 34 H ASN 34 -7.948 10.870 6.173 261 HA ASN 34 HA ASN 34 -8.996 9.278 8.527 262 HB2 ASN 34 1HB ASN 34 -9.172 11.361 9.686 263 HB3 ASN 34 2HB ASN 34 -7.573 11.203 8.982 264 HD21 ASN 34 1HD2 ASN 34 -7.679 13.529 9.601 265 HD22 ASN 34 2HD2 ASN 34 -8.267 14.648 8.252 266 H THR 35 H THR 35 -10.336 8.849 6.064 267 HA THR 35 HA THR 35 -13.155 9.539 6.913 268 HB THR 35 HB THR 35 -12.084 10.265 4.144 269 HG1 THR 35 HG1 THR 35 -11.506 11.852 5.401 270 HG21 THR 35 3HG2 THR 35 -14.903 10.758 5.289 271 HG22 THR 35 1HG2 THR 35 -14.276 11.319 3.720 272 HG23 THR 35 2HG2 THR 35 -14.519 9.585 4.003 273 H VAL 36 H VAL 36 -11.397 7.956 4.137 274 HA VAL 36 HA VAL 36 -13.613 5.900 4.231 275 HB VAL 36 HB VAL 36 -11.730 6.438 1.875 276 HG11 VAL 36 1HG1 VAL 36 -13.408 5.072 0.619 277 HG12 VAL 36 2HG1 VAL 36 -12.879 4.130 2.017 278 HG13 VAL 36 3HG1 VAL 36 -14.457 4.947 2.044 279 HG21 VAL 36 3HG2 VAL 36 -13.917 7.505 0.839 280 HG22 VAL 36 1HG2 VAL 36 -14.435 7.724 2.551 281 HG23 VAL 36 2HG2 VAL 36 -12.965 8.472 1.984 282 H THR 37 H THR 37 -12.932 4.473 5.572 283 HA THR 37 HA THR 37 -10.673 3.760 6.674 284 HB THR 37 HB THR 37 -11.537 1.611 7.323 285 HG1 THR 37 HG1 THR 37 -12.218 1.277 4.978 286 HG21 THR 37 3HG2 THR 37 -13.466 2.291 8.409 287 HG22 THR 37 1HG2 THR 37 -12.953 3.905 7.823 288 HG23 THR 37 2HG2 THR 37 -14.195 3.005 6.954 289 HA PRO 38 HA PRO 38 -8.090 2.376 3.097 290 HB2 PRO 38 1HB PRO 38 -5.689 1.788 4.582 291 HB3 PRO 38 2HB PRO 38 -6.155 3.228 3.663 292 HG2 PRO 38 1HG PRO 38 -6.510 2.710 6.655 293 HG3 PRO 38 2HG PRO 38 -6.027 4.216 5.848 294 HD2 PRO 38 1HD PRO 38 -8.560 3.938 6.756 295 HD3 PRO 38 2HD PRO 38 -8.328 4.670 5.147 296 H THR 39 H THR 39 -8.785 0.588 2.228 297 HA THR 39 HA THR 39 -9.031 -1.964 3.566 298 HB THR 39 HB THR 39 -9.221 -1.407 0.563 299 HG1 THR 39 HG1 THR 39 -10.834 -0.258 0.819 300 HG21 THR 39 3HG2 THR 39 -10.809 -3.354 2.362 301 HG22 THR 39 1HG2 THR 39 -11.163 -3.006 0.654 302 HG23 THR 39 2HG2 THR 39 -9.637 -3.787 1.085 303 H VAL 40 H VAL 40 -6.660 -1.913 4.083 304 HA VAL 40 HA VAL 40 -4.690 -2.571 1.986 305 HB VAL 40 HB VAL 40 -2.971 -2.805 3.749 306 HG11 VAL 40 1HG1 VAL 40 -3.395 -0.641 2.587 307 HG12 VAL 40 2HG1 VAL 40 -4.599 -0.184 3.813 308 HG13 VAL 40 3HG1 VAL 40 -2.886 -0.365 4.264 309 HG21 VAL 40 3HG2 VAL 40 -4.239 -3.497 5.768 310 HG22 VAL 40 1HG2 VAL 40 -3.443 -1.947 6.080 311 HG23 VAL 40 2HG2 VAL 40 -5.189 -2.010 5.748 312 H THR 41 H THR 41 -5.291 -4.347 1.056 313 HA THR 41 HA THR 41 -6.181 -6.696 2.601 314 HB THR 41 HB THR 41 -6.431 -5.910 -0.319 315 HG1 THR 41 HG1 THR 41 -7.578 -4.643 1.018 316 HG21 THR 41 3HG2 THR 41 -7.595 -8.382 1.082 317 HG22 THR 41 1HG2 THR 41 -8.322 -7.617 -0.364 318 HG23 THR 41 2HG2 THR 41 -6.689 -8.292 -0.428 319 H PHE 42 H PHE 42 -4.775 -8.041 3.283 320 HA PHE 42 HA PHE 42 -2.136 -8.289 1.773 321 HB2 PHE 42 1HB PHE 42 -2.722 -7.541 4.456 322 HB3 PHE 42 2HB PHE 42 -2.332 -9.199 4.661 323 HD1 PHE 42 HD1 PHE 42 -0.041 -9.747 2.865 324 HD2 PHE 42 HD2 PHE 42 -0.936 -6.146 5.042 325 HE1 PHE 42 HE1 PHE 42 2.363 -9.299 3.127 326 HE2 PHE 42 HE2 PHE 42 1.471 -5.701 5.290 327 HZ PHE 42 HZ PHE 42 3.131 -7.292 4.376 328 H THR 43 H THR 43 -2.272 -9.864 0.490 329 HA THR 43 HA THR 43 -3.385 -12.569 1.349 330 HB THR 43 HB THR 43 -4.530 -12.653 -0.835 331 HG1 THR 43 HG1 THR 43 -3.408 -10.063 -1.210 332 HG21 THR 43 3HG2 THR 43 -5.271 -9.883 0.238 333 HG22 THR 43 1HG2 THR 43 -6.335 -11.144 -0.412 334 HG23 THR 43 2HG2 THR 43 -5.597 -11.304 1.218 335 H MET 44 H MET 44 -2.421 -14.395 0.529 336 HA MET 44 HA MET 44 0.226 -14.104 -0.864 337 HB2 MET 44 1HB MET 44 -0.117 -15.533 1.137 338 HB3 MET 44 2HB MET 44 -1.200 -16.600 0.246 339 HG2 MET 44 1HG MET 44 1.751 -16.121 -0.583 340 HG3 MET 44 2HG MET 44 1.221 -17.357 0.564 341 HE1 MET 44 3HE MET 44 2.585 -18.955 -1.195 342 HE2 MET 44 1HE MET 44 1.223 -19.742 -0.340 343 HE3 MET 44 2HE MET 44 1.467 -20.017 -2.090 344 H ASP 45 H ASP 45 0.125 -13.803 -3.020 345 HA ASP 45 HA ASP 45 -2.137 -15.058 -4.653 346 HB2 ASP 45 1HB ASP 45 -1.834 -12.508 -4.557 347 HB3 ASP 45 2HB ASP 45 -0.335 -12.695 -5.463 348 H GLY 46 H GLY 46 -1.228 -17.022 -4.821 349 HA2 GLY 46 1HA GLY 46 -0.200 -18.686 -6.330 350 HA3 GLY 46 2HA GLY 46 0.825 -17.450 -7.020 351 H ASP 47 H ASP 47 2.344 -16.518 -5.319 352 HA ASP 47 HA ASP 47 3.594 -18.661 -3.558 353 HB2 ASP 47 1HB ASP 47 5.176 -17.057 -5.679 354 HB3 ASP 47 2HB ASP 47 5.932 -17.867 -4.317 355 H LYS 48 H LYS 48 3.805 -15.186 -4.451 356 HA LYS 48 HA LYS 48 4.762 -14.612 -1.620 357 HB2 LYS 48 1HB LYS 48 6.054 -12.908 -2.431 358 HB3 LYS 48 2HB LYS 48 6.247 -14.193 -3.589 359 HG2 LYS 48 1HG LYS 48 4.571 -12.899 -5.136 360 HG3 LYS 48 2HG LYS 48 4.560 -11.632 -3.923 361 HD2 LYS 48 1HD LYS 48 6.249 -10.753 -5.190 362 HD3 LYS 48 2HD LYS 48 7.248 -11.728 -4.142 363 HE2 LYS 48 1HE LYS 48 7.152 -13.614 -5.932 364 HE3 LYS 48 2HE LYS 48 6.259 -12.494 -6.976 365 HZ1 LYS 48 2HZ LYS 48 8.154 -10.938 -6.798 366 HZ3 LYS 48 1HZ LYS 48 8.626 -12.365 -7.444 367 H MET 49 H MET 49 4.312 -12.141 -1.075 368 HA MET 49 HA MET 49 1.348 -12.236 -0.492 369 HB2 MET 49 1HB MET 49 3.464 -10.381 0.775 370 HB3 MET 49 2HB MET 49 1.760 -10.460 1.177 371 HG2 MET 49 1HG MET 49 2.522 -11.774 2.898 372 HG3 MET 49 2HG MET 49 2.315 -13.074 1.732 373 HE1 MET 49 3HE MET 49 4.927 -10.157 2.614 374 HE2 MET 49 1HE MET 49 4.708 -11.176 4.066 375 HE3 MET 49 2HE MET 49 6.275 -11.152 3.208 376 H THR 50 H THR 50 -0.047 -10.614 -1.007 377 HA THR 50 HA THR 50 0.958 -8.264 -2.670 378 HB THR 50 HB THR 50 -1.482 -10.058 -3.280 379 HG1 THR 50 HG1 THR 50 0.589 -11.051 -3.580 380 HG21 THR 50 3HG2 THR 50 -1.596 -7.677 -4.237 381 HG22 THR 50 1HG2 THR 50 -0.046 -7.958 -5.038 382 HG23 THR 50 2HG2 THR 50 -1.450 -8.934 -5.496 383 H MET 51 H MET 51 0.232 -6.464 -1.920 384 HA MET 51 HA MET 51 -2.115 -6.297 0.002 385 HB2 MET 51 1HB MET 51 0.070 -4.285 -0.651 386 HB3 MET 51 2HB MET 51 -1.474 -3.716 -0.080 387 HG2 MET 51 1HG MET 51 -1.341 -4.858 2.035 388 HG3 MET 51 2HG MET 51 -0.035 -5.914 1.502 389 HE1 MET 51 3HE MET 51 0.550 -1.374 2.447 390 HE2 MET 51 1HE MET 51 -0.218 -1.821 0.912 391 HE3 MET 51 2HE MET 51 -1.038 -2.203 2.453 392 H LEU 52 H LEU 52 -3.875 -6.499 -1.163 393 HA LEU 52 HA LEU 52 -4.327 -5.019 -3.749 394 HB2 LEU 52 1HB LEU 52 -6.344 -6.772 -2.243 395 HB3 LEU 52 2HB LEU 52 -6.429 -6.261 -3.899 396 HG LEU 52 HG LEU 52 -4.157 -8.056 -2.804 397 HD11 LEU 52 1HD1 LEU 52 -5.265 -10.003 -3.582 398 HD12 LEU 52 2HD1 LEU 52 -6.403 -9.188 -2.504 399 HD13 LEU 52 3HD1 LEU 52 -6.656 -9.097 -4.263 400 HD21 LEU 52 3HD2 LEU 52 -5.102 -7.477 -5.696 401 HD22 LEU 52 1HD2 LEU 52 -3.585 -6.959 -4.911 402 HD23 LEU 52 2HD2 LEU 52 -3.873 -8.678 -5.233 403 H THR 53 H THR 53 -3.853 -3.087 -2.394 404 HA THR 53 HA THR 53 -5.571 -1.960 -0.410 405 HB THR 53 HB THR 53 -3.575 -0.677 -2.353 406 HG1 THR 53 HG1 THR 53 -2.236 -0.850 -0.565 407 HG21 THR 53 3HG2 THR 53 -4.712 0.442 0.302 408 HG22 THR 53 1HG2 THR 53 -3.338 1.131 -0.621 409 HG23 THR 53 2HG2 THR 53 -4.973 1.144 -1.313 410 H GLU 54 H GLU 54 -7.657 -1.771 -0.817 411 HA GLU 54 HA GLU 54 -8.636 -0.224 -3.244 412 HB2 GLU 54 1HB GLU 54 -9.826 -2.534 -1.610 413 HB3 GLU 54 2HB GLU 54 -10.859 -1.541 -2.620 414 HG2 GLU 54 1HG GLU 54 -8.399 -3.089 -3.664 415 HG3 GLU 54 2HG GLU 54 -10.072 -3.623 -3.766 416 H SER 55 H SER 55 -8.170 1.680 -2.213 417 HA SER 55 HA SER 55 -10.265 2.744 -0.222 418 HB2 SER 55 1HB SER 55 -7.531 3.936 -1.113 419 HB3 SER 55 2HB SER 55 -8.606 4.656 0.087 420 HG SER 55 HG SER 55 -7.556 2.029 0.268 421 H THR 56 H THR 56 -11.146 4.934 -0.773 422 HA THR 56 HA THR 56 -12.009 5.226 -3.508 423 HB THR 56 HB THR 56 -11.926 7.297 -1.239 424 HG1 THR 56 HG1 THR 56 -14.148 5.948 -2.304 425 HG21 THR 56 3HG2 THR 56 -12.359 8.590 -3.351 426 HG22 THR 56 1HG2 THR 56 -13.597 7.425 -3.847 427 HG23 THR 56 2HG2 THR 56 -13.838 8.433 -2.398 428 H PHE 57 H PHE 57 -9.128 6.545 -2.093 429 HA PHE 57 HA PHE 57 -8.429 7.988 -4.707 430 HB2 PHE 57 1HB PHE 57 -7.739 8.511 -1.773 431 HB3 PHE 57 2HB PHE 57 -6.532 8.901 -2.917 432 HD1 PHE 57 HD1 PHE 57 -10.173 9.380 -4.030 433 HD2 PHE 57 HD2 PHE 57 -6.746 11.253 -2.179 434 HE1 PHE 57 HE1 PHE 57 -11.191 11.560 -4.351 435 HE2 PHE 57 HE2 PHE 57 -7.817 13.448 -2.526 436 HZ PHE 57 HZ PHE 57 -10.015 13.610 -3.615 437 H LYS 58 H LYS 58 -7.269 5.498 -2.586 438 HA LYS 58 HA LYS 58 -5.254 4.731 -4.783 439 HB2 LYS 58 1HB LYS 58 -4.955 4.138 -1.778 440 HB3 LYS 58 2HB LYS 58 -4.073 3.312 -3.046 441 HG2 LYS 58 1HG LYS 58 -3.177 5.634 -3.827 442 HG3 LYS 58 2HG LYS 58 -3.811 6.303 -2.330 443 HD2 LYS 58 1HD LYS 58 -1.847 3.902 -2.570 444 HD3 LYS 58 2HD LYS 58 -1.333 5.549 -2.280 445 HE2 LYS 58 1HE LYS 58 -2.454 5.656 -0.083 446 HE3 LYS 58 2HE LYS 58 -3.236 4.096 -0.335 447 HZ1 LYS 58 3HZ LYS 58 -1.147 3.641 0.926 448 HZ2 LYS 58 1HZ LYS 58 -0.910 3.024 -0.586 449 HZ3 LYS 58 2HZ LYS 58 -0.225 4.452 -0.172 450 H ASN 59 H ASN 59 -7.292 3.830 -5.688 451 HA ASN 59 HA ASN 59 -7.738 0.993 -4.650 452 HB2 ASN 59 1HB ASN 59 -9.430 0.705 -6.270 453 HB3 ASN 59 2HB ASN 59 -9.713 2.122 -5.317 454 HD21 ASN 59 1HD2 ASN 59 -9.508 0.963 -8.468 455 HD22 ASN 59 2HD2 ASN 59 -9.646 2.610 -9.279 456 H LEU 60 H LEU 60 -5.728 0.146 -4.817 457 HA LEU 60 HA LEU 60 -4.733 -0.572 -7.530 458 HB2 LEU 60 1HB LEU 60 -2.500 0.508 -7.336 459 HB3 LEU 60 2HB LEU 60 -3.847 1.605 -7.448 460 HG LEU 60 HG LEU 60 -3.699 1.693 -4.761 461 HD11 LEU 60 1HD1 LEU 60 -1.830 -0.006 -4.479 462 HD12 LEU 60 2HD1 LEU 60 -0.773 0.954 -5.526 463 HD13 LEU 60 3HD1 LEU 60 -1.303 1.589 -3.953 464 HD21 LEU 60 3HD2 LEU 60 -1.702 3.143 -6.653 465 HD22 LEU 60 1HD2 LEU 60 -3.369 3.654 -6.296 466 HD23 LEU 60 2HD2 LEU 60 -2.136 3.687 -5.022 467 H SER 61 H SER 61 -3.253 -2.235 -7.627 468 HA SER 61 HA SER 61 -2.799 -3.734 -5.019 469 HB2 SER 61 1HB SER 61 -2.609 -5.793 -6.381 470 HB3 SER 61 2HB SER 61 -4.187 -5.003 -6.566 471 HG SER 61 HG SER 61 -3.541 -4.275 -8.589 472 H VAL 62 H VAL 62 -0.787 -4.285 -4.364 473 HA VAL 62 HA VAL 62 1.561 -4.056 -6.273 474 HB VAL 62 HB VAL 62 2.877 -3.360 -4.253 475 HG11 VAL 62 1HG1 VAL 62 0.946 -1.320 -5.527 476 HG12 VAL 62 2HG1 VAL 62 2.498 -0.942 -4.734 477 HG13 VAL 62 3HG1 VAL 62 2.478 -1.889 -6.227 478 HG21 VAL 62 3HG2 VAL 62 1.759 -1.886 -2.593 479 HG22 VAL 62 1HG2 VAL 62 0.160 -2.380 -3.190 480 HG23 VAL 62 2HG2 VAL 62 1.238 -3.582 -2.427 481 H THR 63 H THR 63 2.997 -5.655 -6.199 482 HA THR 63 HA THR 63 2.372 -8.079 -4.437 483 HB THR 63 HB THR 63 3.542 -8.247 -7.275 484 HG1 THR 63 HG1 THR 63 1.253 -7.564 -6.901 485 HG21 THR 63 3HG2 THR 63 4.177 -10.268 -6.167 486 HG22 THR 63 1HG2 THR 63 2.701 -10.351 -5.194 487 HG23 THR 63 2HG2 THR 63 2.642 -10.699 -6.942 488 H PHE 64 H PHE 64 3.983 -8.999 -3.402 489 HA PHE 64 HA PHE 64 6.875 -8.250 -3.702 490 HB2 PHE 64 1HB PHE 64 7.024 -6.932 -1.600 491 HB3 PHE 64 2HB PHE 64 5.978 -6.202 -2.778 492 HD1 PHE 64 HD1 PHE 64 5.959 -8.110 0.467 493 HD2 PHE 64 HD2 PHE 64 3.619 -5.808 -2.319 494 HE1 PHE 64 HE1 PHE 64 4.182 -7.867 2.146 495 HE2 PHE 64 HE2 PHE 64 1.854 -5.587 -0.646 496 HZ PHE 64 HZ PHE 64 2.111 -6.606 1.591 497 H LYS 65 H LYS 65 8.205 -8.921 -1.865 498 HA LYS 65 HA LYS 65 7.156 -11.438 -0.492 499 HB2 LYS 65 1HB LYS 65 8.758 -12.819 -1.113 500 HB3 LYS 65 2HB LYS 65 8.849 -11.814 -2.520 501 HG2 LYS 65 1HG LYS 65 10.849 -10.567 -1.438 502 HG3 LYS 65 2HG LYS 65 10.714 -11.657 -0.080 503 HD2 LYS 65 1HD LYS 65 11.087 -13.647 -1.685 504 HD3 LYS 65 2HD LYS 65 11.350 -12.464 -2.965 505 HE2 LYS 65 1HE LYS 65 13.536 -13.052 -2.182 506 HE3 LYS 65 2HE LYS 65 13.240 -11.403 -1.658 507 HZ1 LYS 65 3HZ LYS 65 14.172 -12.758 0.219 508 HZ2 LYS 65 1HZ LYS 65 12.643 -12.319 0.635 509 HZ3 LYS 65 2HZ LYS 65 12.939 -13.845 0.121 510 H PHE 66 H PHE 66 8.578 -12.119 1.411 511 HA PHE 66 HA PHE 66 9.217 -9.836 3.217 512 HB2 PHE 66 1HB PHE 66 10.148 -11.636 4.715 513 HB3 PHE 66 2HB PHE 66 8.441 -11.432 4.530 514 HD1 PHE 66 HD1 PHE 66 11.299 -13.664 3.483 515 HD2 PHE 66 HD2 PHE 66 7.028 -13.296 3.874 516 HE1 PHE 66 HE1 PHE 66 11.041 -16.075 3.035 517 HE2 PHE 66 HE2 PHE 66 6.781 -15.693 3.408 518 HZ PHE 66 HZ PHE 66 8.783 -17.094 2.986 519 H GLY 67 H GLY 67 10.447 -8.894 1.756 520 HA2 GLY 67 1HA GLY 67 13.374 -8.860 1.929 521 HA3 GLY 67 2HA GLY 67 12.899 -9.866 0.558 522 H GLU 68 H GLU 68 10.765 -8.530 -0.532 523 HA GLU 68 HA GLU 68 12.325 -6.611 -2.094 524 HB2 GLU 68 1HB GLU 68 9.317 -7.087 -2.423 525 HB3 GLU 68 2HB GLU 68 10.409 -6.278 -3.527 526 HG2 GLU 68 1HG GLU 68 10.155 -9.252 -2.994 527 HG3 GLU 68 2HG GLU 68 10.057 -8.364 -4.490 528 H GLU 69 H GLU 69 12.481 -4.511 -1.941 529 HA GLU 69 HA GLU 69 10.840 -2.815 -0.112 530 HB2 GLU 69 1HB GLU 69 12.213 -0.935 -0.812 531 HB3 GLU 69 2HB GLU 69 13.064 -2.268 -0.072 532 HG2 GLU 69 1HG GLU 69 14.070 -2.970 -2.219 533 HG3 GLU 69 2HG GLU 69 13.046 -1.879 -3.136 534 H PHE 70 H PHE 70 8.811 -3.193 -0.990 535 HA PHE 70 HA PHE 70 8.200 -2.737 -3.791 536 HB2 PHE 70 1HB PHE 70 6.112 -3.587 -3.470 537 HB3 PHE 70 2HB PHE 70 7.217 -4.462 -2.454 538 HD1 PHE 70 HD1 PHE 70 4.343 -2.077 -2.480 539 HD2 PHE 70 HD2 PHE 70 6.926 -4.426 0.034 540 HE1 PHE 70 HE1 PHE 70 2.795 -1.763 -0.578 541 HE2 PHE 70 HE2 PHE 70 5.320 -4.156 1.901 542 HZ PHE 70 HZ PHE 70 3.267 -2.824 1.586 543 H ASP 71 H ASP 71 7.572 -0.790 -4.863 544 HA ASP 71 HA ASP 71 6.875 1.565 -3.181 545 HB2 ASP 71 1HB ASP 71 7.152 2.980 -4.992 546 HB3 ASP 71 2HB ASP 71 8.537 1.951 -4.739 547 H GLU 72 H GLU 72 5.070 2.482 -2.839 548 HA GLU 72 HA GLU 72 2.609 1.842 -4.568 549 HB2 GLU 72 1HB GLU 72 2.679 3.032 -1.713 550 HB3 GLU 72 2HB GLU 72 1.276 3.068 -2.782 551 HG2 GLU 72 1HG GLU 72 1.356 0.477 -2.853 552 HG3 GLU 72 2HG GLU 72 2.573 0.554 -1.581 553 H LYS 73 H LYS 73 2.360 3.381 -6.068 554 HA LYS 73 HA LYS 73 3.232 6.218 -5.489 555 HB2 LYS 73 1HB LYS 73 3.313 6.841 -7.587 556 HB3 LYS 73 2HB LYS 73 3.761 5.177 -7.721 557 HG2 LYS 73 1HG LYS 73 2.312 4.944 -9.357 558 HG3 LYS 73 2HG LYS 73 0.981 5.020 -8.219 559 HD2 LYS 73 1HD LYS 73 2.207 7.414 -9.750 560 HD3 LYS 73 2HD LYS 73 0.795 6.486 -10.244 561 HE2 LYS 73 1HE LYS 73 -0.372 7.147 -8.028 562 HE3 LYS 73 2HE LYS 73 1.011 8.168 -7.654 563 HZ1 LYS 73 3HZ LYS 73 0.561 9.410 -9.807 564 HZ2 LYS 73 1HZ LYS 73 -0.776 8.496 -10.065 565 HZ3 LYS 73 2HZ LYS 73 -0.712 9.501 -8.763 566 H THR 74 H THR 74 2.033 7.496 -4.541 567 HA THR 74 HA THR 74 -0.746 6.835 -3.916 568 HB THR 74 HB THR 74 -0.634 8.645 -2.272 569 HG1 THR 74 HG1 THR 74 1.895 9.341 -3.266 570 HG21 THR 74 3HG2 THR 74 1.434 8.106 -0.992 571 HG22 THR 74 1HG2 THR 74 0.687 6.612 -1.602 572 HG23 THR 74 2HG2 THR 74 2.133 7.255 -2.392 573 H SER 75 H SER 75 -2.583 8.216 -3.914 574 HA SER 75 HA SER 75 -3.277 9.847 -6.175 575 HB2 SER 75 1HB SER 75 -5.196 10.535 -4.850 576 HB3 SER 75 2HB SER 75 -4.855 8.847 -4.517 577 HG SER 75 HG SER 75 -4.027 11.059 -2.903 578 H ASP 76 H ASP 76 -1.408 10.825 -3.377 579 HA ASP 76 HA ASP 76 -1.399 13.725 -3.978 580 HB2 ASP 76 1HB ASP 76 0.489 11.987 -2.277 581 HB3 ASP 76 2HB ASP 76 0.631 13.722 -2.413 582 H GLY 77 H GLY 77 0.335 11.034 -5.366 583 HA2 GLY 77 1HA GLY 77 1.658 11.222 -7.420 584 HA3 GLY 77 2HA GLY 77 1.929 12.922 -7.117 585 H ARG 78 H ARG 78 2.784 9.674 -5.815 586 HA ARG 78 HA ARG 78 5.632 10.372 -5.552 587 HB2 ARG 78 1HB ARG 78 5.929 10.350 -3.064 588 HB3 ARG 78 2HB ARG 78 5.258 11.800 -3.768 589 HG2 ARG 78 1HG ARG 78 2.942 11.114 -3.046 590 HG3 ARG 78 2HG ARG 78 3.601 9.692 -2.224 591 HD2 ARG 78 1HD ARG 78 4.414 12.622 -1.639 592 HD3 ARG 78 2HD ARG 78 3.063 11.814 -0.841 593 HE ARG 78 HE ARG 78 5.079 9.988 -0.241 594 HH11 ARG 78 1HH1 ARG 78 4.894 13.448 0.206 595 HH12 ARG 78 2HH1 ARG 78 6.045 13.351 1.621 596 HH21 ARG 78 1HH2 ARG 78 6.297 9.947 1.511 597 HH22 ARG 78 2HH2 ARG 78 6.823 11.565 2.174 598 H ASN 79 H ASN 79 6.467 8.465 -6.099 599 HA ASN 79 HA ASN 79 5.243 5.897 -5.187 600 HB2 ASN 79 1HB ASN 79 6.466 4.707 -6.652 601 HB3 ASN 79 2HB ASN 79 5.888 6.099 -7.510 602 HD21 ASN 79 1HD2 ASN 79 8.352 4.142 -7.521 603 HD22 ASN 79 2HD2 ASN 79 9.669 5.354 -8.010 604 H VAL 80 H VAL 80 5.628 5.187 -3.259 605 HA VAL 80 HA VAL 80 8.329 5.812 -1.901 606 HB VAL 80 HB VAL 80 7.309 6.184 0.155 607 HG11 VAL 80 1HG1 VAL 80 6.528 8.523 -0.341 608 HG12 VAL 80 2HG1 VAL 80 7.802 8.084 -1.491 609 HG13 VAL 80 3HG1 VAL 80 6.105 8.075 -2.001 610 HG21 VAL 80 3HG2 VAL 80 5.062 5.038 0.032 611 HG22 VAL 80 1HG2 VAL 80 4.886 6.739 0.490 612 HG23 VAL 80 2HG2 VAL 80 4.497 6.213 -1.172 613 H LYS 81 H LYS 81 9.030 4.185 -0.473 614 HA LYS 81 HA LYS 81 8.041 1.519 -1.509 615 HB2 LYS 81 1HB LYS 81 10.150 0.640 -1.977 616 HB3 LYS 81 2HB LYS 81 9.937 2.155 -2.801 617 HG2 LYS 81 1HG LYS 81 11.389 3.256 -0.906 618 HG3 LYS 81 2HG LYS 81 11.703 1.600 -0.342 619 HD2 LYS 81 1HD LYS 81 12.597 0.987 -2.624 620 HD3 LYS 81 2HD LYS 81 12.305 2.634 -3.197 621 HE2 LYS 81 1HE LYS 81 13.922 3.560 -1.478 622 HE3 LYS 81 2HE LYS 81 14.145 1.932 -0.796 623 HZ1 LYS 81 3HZ LYS 81 14.814 2.548 -3.681 624 HZ2 LYS 81 1HZ LYS 81 15.940 2.387 -2.462 625 HZ3 LYS 81 2HZ LYS 81 15.011 1.095 -2.900 626 H SER 82 H SER 82 8.972 -0.361 -0.235 627 HA SER 82 HA SER 82 8.698 0.149 2.749 628 HB2 SER 82 1HB SER 82 6.653 -1.271 0.928 629 HB3 SER 82 2HB SER 82 6.658 -1.470 2.682 630 HG SER 82 HG SER 82 6.740 1.113 1.562 631 H VAL 83 H VAL 83 10.207 -1.099 3.725 632 HA VAL 83 HA VAL 83 11.205 -3.576 2.289 633 HB VAL 83 HB VAL 83 12.752 -1.806 2.860 634 HG11 VAL 83 1HG1 VAL 83 12.409 -2.494 5.829 635 HG12 VAL 83 2HG1 VAL 83 13.744 -1.555 5.115 636 HG13 VAL 83 3HG1 VAL 83 12.089 -0.950 4.985 637 HG21 VAL 83 3HG2 VAL 83 13.570 -4.118 2.454 638 HG22 VAL 83 1HG2 VAL 83 14.575 -3.299 3.671 639 HG23 VAL 83 2HG2 VAL 83 13.384 -4.517 4.178 640 H VAL 84 H VAL 84 10.420 -5.441 2.782 641 HA VAL 84 HA VAL 84 8.558 -5.655 5.113 642 HB VAL 84 HB VAL 84 8.922 -7.504 2.689 643 HG11 VAL 84 1HG1 VAL 84 7.537 -8.413 4.765 644 HG12 VAL 84 2HG1 VAL 84 6.353 -7.151 4.379 645 HG13 VAL 84 3HG1 VAL 84 6.724 -8.407 3.180 646 HG21 VAL 84 3HG2 VAL 84 6.892 -6.321 1.734 647 HG22 VAL 84 1HG2 VAL 84 7.015 -5.100 3.026 648 HG23 VAL 84 2HG2 VAL 84 8.301 -5.279 1.820 649 H GLU 85 H GLU 85 8.948 -6.737 6.830 650 HA GLU 85 HA GLU 85 10.436 -9.384 6.789 651 HB2 GLU 85 1HB GLU 85 12.100 -7.614 7.524 652 HB3 GLU 85 2HB GLU 85 11.016 -7.126 8.821 653 HG2 GLU 85 1HG GLU 85 11.208 -9.648 9.685 654 HG3 GLU 85 2HG GLU 85 12.519 -9.820 8.521 655 H LYS 86 H LYS 86 8.976 -10.790 7.612 656 HA LYS 86 HA LYS 86 7.098 -9.924 9.793 657 HB2 LYS 86 1HB LYS 86 5.707 -11.507 9.615 658 HB3 LYS 86 2HB LYS 86 6.134 -11.294 7.944 659 HG2 LYS 86 1HG LYS 86 6.950 -13.564 9.850 660 HG3 LYS 86 2HG LYS 86 5.722 -13.611 8.599 661 HD2 LYS 86 1HD LYS 86 7.535 -13.228 6.833 662 HD3 LYS 86 2HD LYS 86 8.751 -13.260 8.119 663 HE2 LYS 86 1HE LYS 86 7.944 -15.615 8.796 664 HE3 LYS 86 2HE LYS 86 6.799 -15.596 7.465 665 HZ1 LYS 86 3HZ LYS 86 8.849 -16.630 6.626 666 HZ2 LYS 86 1HZ LYS 86 8.829 -15.121 5.951 667 HZ3 LYS 86 2HZ LYS 86 9.807 -15.433 7.230 668 H ASN 87 H ASN 87 7.894 -9.922 11.695 669 HA ASN 87 HA ASN 87 10.713 -11.018 12.152 670 HB2 ASN 87 1HB ASN 87 10.166 -8.589 12.563 671 HB3 ASN 87 2HB ASN 87 9.048 -9.037 13.833 672 HD21 ASN 87 1HD2 ASN 87 12.408 -8.746 12.940 673 HD22 ASN 87 2HD2 ASN 87 13.018 -9.018 14.674 674 H SER 88 H SER 88 7.625 -10.983 13.773 675 HA SER 88 HA SER 88 7.873 -13.987 14.125 676 HB2 SER 88 1HB SER 88 6.096 -12.139 15.880 677 HB3 SER 88 2HB SER 88 6.046 -13.905 15.885 678 HG SER 88 HG SER 88 8.506 -12.591 16.249 679 H GLU 89 H GLU 89 5.784 -15.025 13.607 680 HA GLU 89 HA GLU 89 4.203 -13.806 11.400 681 HB2 GLU 89 1HB GLU 89 4.461 -16.479 12.656 682 HB3 GLU 89 2HB GLU 89 2.782 -16.048 12.648 683 HG2 GLU 89 1HG GLU 89 3.158 -17.215 10.632 684 HG3 GLU 89 2HG GLU 89 2.925 -15.548 10.154 685 H SER 90 H SER 90 4.145 -12.977 14.395 686 HA SER 90 HA SER 90 1.401 -11.745 14.224 687 HB2 SER 90 1HB SER 90 1.529 -13.276 16.198 688 HB3 SER 90 2HB SER 90 2.894 -12.343 16.847 689 HG SER 90 HG SER 90 0.738 -11.810 17.671 690 H LYS 91 H LYS 91 4.429 -10.844 13.584 691 HA LYS 91 HA LYS 91 4.062 -7.992 14.457 692 HB2 LYS 91 1HB LYS 91 6.397 -9.741 15.486 693 HB3 LYS 91 2HB LYS 91 6.700 -8.073 15.108 694 HG2 LYS 91 1HG LYS 91 6.435 -8.234 17.391 695 HG3 LYS 91 2HG LYS 91 5.143 -7.229 16.763 696 HD2 LYS 91 1HD LYS 91 3.434 -8.749 17.332 697 HD3 LYS 91 2HD LYS 91 4.447 -10.161 17.151 698 HE2 LYS 91 1HE LYS 91 3.852 -9.906 19.487 699 HE3 LYS 91 2HE LYS 91 5.602 -9.803 19.279 700 HZ1 LYS 91 3HZ LYS 91 4.861 -7.986 20.790 701 HZ2 LYS 91 1HZ LYS 91 5.308 -7.262 19.371 702 HZ3 LYS 91 2HZ LYS 91 3.712 -7.409 19.741 703 H LEU 92 H LEU 92 4.000 -7.531 12.249 704 HA LEU 92 HA LEU 92 6.534 -8.034 10.584 705 HB2 LEU 92 1HB LEU 92 4.290 -8.940 9.876 706 HB3 LEU 92 2HB LEU 92 3.670 -7.318 9.634 707 HG LEU 92 HG LEU 92 6.129 -8.470 8.208 708 HD11 LEU 92 1HD1 LEU 92 3.213 -8.464 7.199 709 HD12 LEU 92 2HD1 LEU 92 4.633 -8.982 6.260 710 HD13 LEU 92 3HD1 LEU 92 4.154 -9.894 7.693 711 HD21 LEU 92 3HD2 LEU 92 5.539 -6.768 6.379 712 HD22 LEU 92 1HD2 LEU 92 4.371 -6.028 7.481 713 HD23 LEU 92 2HD2 LEU 92 6.103 -6.026 7.854 714 H THR 93 H THR 93 7.767 -6.346 9.752 715 HA THR 93 HA THR 93 6.928 -3.516 10.616 716 HB THR 93 HB THR 93 9.531 -4.961 11.172 717 HG1 THR 93 HG1 THR 93 9.030 -4.288 13.208 718 HG21 THR 93 3HG2 THR 93 10.315 -2.725 12.178 719 HG22 THR 93 1HG2 THR 93 10.352 -2.798 10.414 720 HG23 THR 93 2HG2 THR 93 9.060 -1.901 11.212 721 H GLN 94 H GLN 94 6.191 -3.317 8.658 722 HA GLN 94 HA GLN 94 7.655 -3.833 6.182 723 HB2 GLN 94 1HB GLN 94 5.097 -3.990 6.813 724 HB3 GLN 94 2HB GLN 94 5.048 -2.251 6.685 725 HG2 GLN 94 1HG GLN 94 6.086 -3.003 4.139 726 HG3 GLN 94 2HG GLN 94 5.174 -4.420 4.567 727 HE21 GLN 94 1HE2 GLN 94 4.959 -0.995 3.908 728 HE22 GLN 94 2HE2 GLN 94 3.162 -1.031 3.562 729 H THR 95 H THR 95 9.006 -2.077 7.418 730 HA THR 95 HA THR 95 8.774 0.473 7.715 731 HB THR 95 HB THR 95 11.559 -0.423 6.928 732 HG1 THR 95 HG1 THR 95 10.689 -1.831 8.319 733 HG21 THR 95 3HG2 THR 95 11.636 1.970 7.379 734 HG22 THR 95 1HG2 THR 95 10.431 1.873 8.654 735 HG23 THR 95 2HG2 THR 95 12.036 1.184 8.921 736 H GLN 96 H GLN 96 8.186 2.267 6.644 737 HA GLN 96 HA GLN 96 8.066 2.074 3.691 738 HB2 GLN 96 1HB GLN 96 6.587 3.579 5.851 739 HB3 GLN 96 2HB GLN 96 6.715 4.420 4.310 740 HG2 GLN 96 1HG GLN 96 5.640 2.549 3.113 741 HG3 GLN 96 2HG GLN 96 5.637 1.546 4.556 742 HE21 GLN 96 1HE2 GLN 96 4.453 4.701 3.381 743 HE22 GLN 96 2HE2 GLN 96 2.902 4.600 4.365 744 H VAL 97 H VAL 97 9.489 3.027 2.373 745 HA VAL 97 HA VAL 97 11.493 5.025 3.561 746 HB VAL 97 HB VAL 97 11.813 2.816 1.465 747 HG11 VAL 97 1HG1 VAL 97 13.123 4.801 0.626 748 HG12 VAL 97 2HG1 VAL 97 13.709 5.110 2.269 749 HG13 VAL 97 3HG1 VAL 97 14.269 3.666 1.373 750 HG21 VAL 97 3HG2 VAL 97 12.042 2.047 3.825 751 HG22 VAL 97 1HG2 VAL 97 13.641 2.079 3.071 752 HG23 VAL 97 2HG2 VAL 97 13.155 3.377 4.204 753 H ASP 98 H ASP 98 9.992 6.645 3.219 754 HA ASP 98 HA ASP 98 9.247 7.593 0.542 755 HB2 ASP 98 1HB ASP 98 9.203 8.678 3.469 756 HB3 ASP 98 2HB ASP 98 8.554 9.606 2.166 757 HA PRO 99 HA PRO 99 12.651 10.892 0.317 758 HB2 PRO 99 1HB PRO 99 11.247 13.175 -0.489 759 HB3 PRO 99 2HB PRO 99 11.670 11.829 -1.565 760 HG2 PRO 99 1HG PRO 99 9.000 12.223 -0.072 761 HG3 PRO 99 2HG PRO 99 9.227 11.941 -1.819 762 HD2 PRO 99 1HD PRO 99 8.642 9.854 -0.128 763 HD3 PRO 99 2HD PRO 99 9.809 9.604 -1.460 764 H LYS 100 H LYS 100 10.212 10.852 2.587 765 HA LYS 100 HA LYS 100 11.614 12.908 4.347 766 HB2 LYS 100 1HB LYS 100 9.056 12.954 4.284 767 HB3 LYS 100 2HB LYS 100 9.050 11.323 4.922 768 HG2 LYS 100 1HG LYS 100 8.597 12.975 6.700 769 HG3 LYS 100 2HG LYS 100 10.002 12.016 7.048 770 HD2 LYS 100 1HD LYS 100 10.456 14.219 7.724 771 HD3 LYS 100 2HD LYS 100 11.527 13.840 6.386 772 HE2 LYS 100 1HE LYS 100 9.973 15.150 4.797 773 HE3 LYS 100 2HE LYS 100 8.922 15.533 6.161 774 HZ1 LYS 100 3HZ LYS 100 10.874 16.663 7.255 775 HZ2 LYS 100 1HZ LYS 100 11.844 16.300 5.986 776 HZ3 LYS 100 2HZ LYS 100 10.595 17.353 5.788 777 H ASN 101 H ASN 101 11.491 9.409 3.850 778 HA ASN 101 HA ASN 101 11.632 7.567 5.292 779 HB2 ASN 101 1HB ASN 101 13.672 8.469 6.414 780 HB3 ASN 101 2HB ASN 101 12.689 9.370 7.543 781 HD21 ASN 101 1HD2 ASN 101 13.509 6.068 6.575 782 HD22 ASN 101 2HD2 ASN 101 12.990 5.365 8.194 783 H THR 102 H THR 102 9.707 6.734 5.710 784 HA THR 102 HA THR 102 7.939 7.964 7.869 785 HB THR 102 HB THR 102 7.491 5.412 6.273 786 HG1 THR 102 HG1 THR 102 6.942 6.966 4.753 787 HG21 THR 102 3HG2 THR 102 5.187 5.446 7.157 788 HG22 THR 102 1HG2 THR 102 6.260 5.590 8.569 789 HG23 THR 102 2HG2 THR 102 5.439 7.022 7.923 790 H THR 103 H THR 103 8.258 7.116 9.919 791 HA THR 103 HA THR 103 10.748 5.513 10.240 792 HB THR 103 HB THR 103 9.028 7.064 12.191 793 HG1 THR 103 HG1 THR 103 11.199 7.609 10.501 794 HG21 THR 103 3HG2 THR 103 11.900 5.986 12.613 795 HG22 THR 103 1HG2 THR 103 10.953 6.991 13.735 796 HG23 THR 103 2HG2 THR 103 10.442 5.326 13.390 797 H VAL 104 H VAL 104 10.877 3.509 11.227 798 HA VAL 104 HA VAL 104 9.610 1.379 10.497 799 HB VAL 104 HB VAL 104 9.874 0.118 12.579 800 HG11 VAL 104 1HG1 VAL 104 12.333 1.717 11.634 801 HG12 VAL 104 2HG1 VAL 104 12.368 0.211 12.576 802 HG13 VAL 104 3HG1 VAL 104 11.690 0.203 10.949 803 HG21 VAL 104 3HG2 VAL 104 9.573 1.917 14.356 804 HG22 VAL 104 1HG2 VAL 104 11.116 1.068 14.518 805 HG23 VAL 104 2HG2 VAL 104 11.068 2.701 13.815 806 H ILE 105 H ILE 105 7.459 1.351 9.835 807 HA ILE 105 HA ILE 105 5.329 1.768 11.840 808 HB ILE 105 HB ILE 105 3.785 1.730 10.131 809 HG12 ILE 105 1HG1 ILE 105 4.375 0.014 8.521 810 HG13 ILE 105 2HG1 ILE 105 4.252 1.577 7.725 811 HG21 ILE 105 1HG2 ILE 105 5.203 3.816 10.481 812 HG22 ILE 105 2HG2 ILE 105 6.200 3.358 9.125 813 HG23 ILE 105 3HG2 ILE 105 4.482 3.686 8.846 814 HD11 ILE 105 3HD1 ILE 105 6.684 -0.121 8.247 815 HD12 ILE 105 1HD1 ILE 105 6.088 0.612 6.729 816 HD13 ILE 105 2HD1 ILE 105 6.885 1.622 7.952 817 H VAL 106 H VAL 106 6.360 -0.105 12.943 818 HA VAL 106 HA VAL 106 6.017 -2.810 12.433 819 HB VAL 106 HB VAL 106 5.975 -3.429 14.700 820 HG11 VAL 106 1HG1 VAL 106 7.481 -0.733 14.758 821 HG12 VAL 106 2HG1 VAL 106 7.824 -2.205 15.693 822 HG13 VAL 106 3HG1 VAL 106 8.091 -2.174 13.940 823 HG21 VAL 106 3HG2 VAL 106 5.573 -1.749 16.632 824 HG22 VAL 106 1HG2 VAL 106 4.869 -0.658 15.401 825 HG23 VAL 106 2HG2 VAL 106 4.116 -2.221 15.741 826 H ARG 107 H ARG 107 4.473 -4.313 12.352 827 HA ARG 107 HA ARG 107 1.524 -3.575 12.741 828 HB2 ARG 107 1HB ARG 107 2.710 -5.717 10.869 829 HB3 ARG 107 2HB ARG 107 1.016 -5.316 11.052 830 HG2 ARG 107 1HG ARG 107 1.523 -2.993 10.056 831 HG3 ARG 107 2HG ARG 107 3.180 -3.506 9.788 832 HD2 ARG 107 1HD ARG 107 2.387 -5.415 8.359 833 HD3 ARG 107 2HD ARG 107 0.716 -5.062 8.689 834 HE ARG 107 HE ARG 107 2.404 -3.736 6.649 835 HH11 ARG 107 1HH1 ARG 107 -0.238 -2.997 8.747 836 HH12 ARG 107 2HH1 ARG 107 -1.062 -1.975 7.466 837 HH21 ARG 107 1HH2 ARG 107 1.485 -2.637 5.232 838 HH22 ARG 107 2HH2 ARG 107 -0.097 -1.776 5.560 839 H GLU 108 H GLU 108 0.986 -4.287 14.731 840 HA GLU 108 HA GLU 108 1.630 -7.172 15.486 841 HB2 GLU 108 1HB GLU 108 0.177 -4.968 17.102 842 HB3 GLU 108 2HB GLU 108 0.377 -6.624 17.620 843 HG2 GLU 108 1HG GLU 108 2.987 -6.230 17.323 844 HG3 GLU 108 2HG GLU 108 2.580 -4.516 17.289 845 H VAL 109 H VAL 109 -0.235 -8.430 16.329 846 HA VAL 109 HA VAL 109 -2.974 -7.590 15.346 847 HB VAL 109 HB VAL 109 -2.355 -9.331 13.822 848 HG11 VAL 109 1HG1 VAL 109 -0.688 -10.695 15.062 849 HG12 VAL 109 2HG1 VAL 109 -1.939 -11.229 16.199 850 HG13 VAL 109 3HG1 VAL 109 -1.996 -11.742 14.485 851 HG21 VAL 109 3HG2 VAL 109 -4.763 -9.248 14.577 852 HG22 VAL 109 1HG2 VAL 109 -4.260 -10.863 14.034 853 HG23 VAL 109 2HG2 VAL 109 -4.424 -10.521 15.766 854 H ASP 110 H ASP 110 -4.310 -7.309 16.955 855 HA ASP 110 HA ASP 110 -3.749 -8.578 19.654 856 HB2 ASP 110 1HB ASP 110 -5.150 -6.022 18.654 857 HB3 ASP 110 2HB ASP 110 -5.431 -6.574 20.270 858 H GLY 111 H GLY 111 -4.892 -10.301 17.843 859 HA2 GLY 111 1HA GLY 111 -6.611 -12.095 18.144 860 HA3 GLY 111 2HA GLY 111 -7.551 -11.020 19.155 861 H ASP 112 H ASP 112 -6.500 -11.571 15.874 862 HA ASP 112 HA ASP 112 -6.994 -10.443 13.861 863 HB2 ASP 112 1HB ASP 112 -9.643 -11.765 14.604 864 HB3 ASP 112 2HB ASP 112 -9.401 -10.984 13.054 865 H THR 113 H THR 113 -6.535 -8.505 15.196 866 HA THR 113 HA THR 113 -8.142 -6.310 14.080 867 HB THR 113 HB THR 113 -9.363 -6.895 16.185 868 HG1 THR 113 HG1 THR 113 -8.304 -4.262 15.928 869 HG21 THR 113 3HG2 THR 113 -8.753 -5.979 18.323 870 HG22 THR 113 1HG2 THR 113 -7.607 -7.241 17.852 871 HG23 THR 113 2HG2 THR 113 -7.120 -5.542 17.783 872 H MET 114 H MET 114 -6.384 -5.985 13.031 873 HA MET 114 HA MET 114 -3.710 -6.228 13.899 874 HB2 MET 114 1HB MET 114 -4.424 -4.596 11.410 875 HB3 MET 114 2HB MET 114 -2.922 -5.420 11.794 876 HG2 MET 114 1HG MET 114 -5.606 -6.664 11.006 877 HG3 MET 114 2HG MET 114 -4.023 -6.860 10.238 878 HE1 MET 114 3HE MET 114 -6.488 -8.855 12.026 879 HE2 MET 114 1HE MET 114 -5.536 -9.323 10.572 880 HE3 MET 114 2HE MET 114 -5.407 -10.273 12.080 881 H LYS 115 H LYS 115 -2.921 -5.074 15.484 882 HA LYS 115 HA LYS 115 -3.384 -2.072 15.677 883 HB2 LYS 115 1HB LYS 115 -3.533 -3.653 17.674 884 HB3 LYS 115 2HB LYS 115 -1.791 -3.864 17.580 885 HG2 LYS 115 1HG LYS 115 -1.583 -1.254 17.797 886 HG3 LYS 115 2HG LYS 115 -3.324 -1.216 18.013 887 HD2 LYS 115 1HD LYS 115 -2.457 -1.103 20.161 888 HD3 LYS 115 2HD LYS 115 -3.097 -2.735 20.056 889 HE2 LYS 115 1HE LYS 115 -0.104 -2.241 19.438 890 HE3 LYS 115 2HE LYS 115 -0.636 -2.104 21.104 891 HZ1 LYS 115 3HZ LYS 115 0.170 -4.413 20.110 892 HZ2 LYS 115 1HZ LYS 115 -1.125 -4.424 21.200 893 HZ3 LYS 115 2HZ LYS 115 -1.461 -4.628 19.661 894 H THR 116 H THR 116 -2.218 -1.085 14.159 895 HA THR 116 HA THR 116 0.766 -1.705 13.880 896 HB THR 116 HB THR 116 -0.210 -2.702 12.029 897 HG1 THR 116 HG1 THR 116 1.750 -1.335 11.961 898 HG21 THR 116 3HG2 THR 116 -1.359 -1.618 10.199 899 HG22 THR 116 1HG2 THR 116 -2.339 -1.504 11.668 900 HG23 THR 116 2HG2 THR 116 -1.457 -0.090 11.075 901 H THR 117 H THR 117 1.413 -0.108 15.163 902 HA THR 117 HA THR 117 0.972 2.699 15.134 903 HB THR 117 HB THR 117 3.630 1.154 15.279 904 HG1 THR 117 HG1 THR 117 3.229 1.457 17.555 905 HG21 THR 117 3HG2 THR 117 4.154 3.600 15.133 906 HG22 THR 117 1HG2 THR 117 2.928 3.962 16.361 907 HG23 THR 117 2HG2 THR 117 4.408 3.051 16.789 908 H VAL 118 H VAL 118 0.939 4.124 13.361 909 HA VAL 118 HA VAL 118 3.518 4.054 11.743 910 HB VAL 118 HB VAL 118 1.742 3.986 10.387 911 HG11 VAL 118 1HG1 VAL 118 -0.104 5.175 11.638 912 HG12 VAL 118 2HG1 VAL 118 0.588 6.727 11.100 913 HG13 VAL 118 3HG1 VAL 118 0.027 5.565 9.906 914 HG21 VAL 118 3HG2 VAL 118 2.728 6.883 9.982 915 HG22 VAL 118 1HG2 VAL 118 3.833 5.546 9.813 916 HG23 VAL 118 2HG2 VAL 118 2.409 5.649 8.747 917 H THR 119 H THR 119 5.102 4.839 12.916 918 HA THR 119 HA THR 119 4.769 7.656 14.063 919 HB THR 119 HB THR 119 5.555 6.111 15.750 920 HG1 THR 119 HG1 THR 119 7.620 7.126 16.125 921 HG21 THR 119 3HG2 THR 119 6.708 4.333 14.369 922 HG22 THR 119 1HG2 THR 119 7.989 5.474 13.953 923 HG23 THR 119 2HG2 THR 119 7.755 4.958 15.651 924 H VAL 120 H VAL 120 6.211 9.244 13.519 925 HA VAL 120 HA VAL 120 8.132 8.786 11.165 926 HB VAL 120 HB VAL 120 6.096 11.082 11.079 927 HG11 VAL 120 1HG1 VAL 120 8.212 11.438 9.767 928 HG12 VAL 120 2HG1 VAL 120 8.007 9.877 8.965 929 HG13 VAL 120 3HG1 VAL 120 6.849 11.176 8.663 930 HG21 VAL 120 3HG2 VAL 120 5.888 8.311 9.802 931 HG22 VAL 120 1HG2 VAL 120 4.779 9.096 10.944 932 HG23 VAL 120 2HG2 VAL 120 4.890 9.737 9.284 933 H GLY 121 H GLY 121 9.753 9.051 12.663 934 HA2 GLY 121 1HA GLY 121 11.203 10.140 14.247 935 HA3 GLY 121 2HA GLY 121 10.537 11.684 13.762 936 H ASP 122 H ASP 122 8.051 11.528 14.484 937 HA ASP 122 HA ASP 122 7.929 11.422 17.507 938 HB2 ASP 122 1HB ASP 122 7.986 13.919 17.718 939 HB3 ASP 122 2HB ASP 122 9.476 13.261 17.084 940 H VAL 123 H VAL 123 6.053 10.175 16.099 941 HA VAL 123 HA VAL 123 3.565 11.826 16.751 942 HB VAL 123 HB VAL 123 3.874 10.344 14.045 943 HG11 VAL 123 1HG1 VAL 123 1.458 11.901 15.284 944 HG12 VAL 123 2HG1 VAL 123 1.575 11.447 13.596 945 HG13 VAL 123 3HG1 VAL 123 1.473 10.180 14.829 946 HG21 VAL 123 3HG2 VAL 123 3.569 13.369 14.666 947 HG22 VAL 123 1HG2 VAL 123 5.016 12.571 14.021 948 HG23 VAL 123 2HG2 VAL 123 3.523 12.614 13.049 949 H THR 124 H THR 124 4.504 8.563 15.737 950 HA THR 124 HA THR 124 3.535 6.481 16.148 951 HB THR 124 HB THR 124 3.510 7.728 18.926 952 HG1 THR 124 HG1 THR 124 5.534 6.723 19.015 953 HG21 THR 124 3HG2 THR 124 2.345 5.471 19.075 954 HG22 THR 124 1HG2 THR 124 3.742 4.722 18.271 955 HG23 THR 124 2HG2 THR 124 3.943 5.475 19.842 956 H ALA 125 H ALA 125 1.784 6.781 14.751 957 HA ALA 125 HA ALA 125 -0.920 7.400 15.984 958 HB1 ALA 125 3HB ALA 125 0.161 7.049 13.130 959 HB2 ALA 125 1HB ALA 125 -1.561 7.263 13.399 960 HB3 ALA 125 2HB ALA 125 -0.398 8.525 13.897 961 H ILE 126 H ILE 126 -1.331 5.659 17.206 962 HA ILE 126 HA ILE 126 -0.742 2.956 16.483 963 HB ILE 126 HB ILE 126 -0.626 3.896 18.689 964 HG12 ILE 126 1HG1 ILE 126 -1.625 1.929 19.992 965 HG13 ILE 126 2HG1 ILE 126 -2.347 1.345 18.498 966 HG21 ILE 126 1HG2 ILE 126 -3.699 3.735 18.962 967 HG22 ILE 126 2HG2 ILE 126 -2.524 4.067 20.253 968 HG23 ILE 126 3HG2 ILE 126 -2.713 5.216 18.931 969 HD11 ILE 126 3HD1 ILE 126 0.684 1.912 18.885 970 HD12 ILE 126 1HD1 ILE 126 -0.065 0.315 19.080 971 HD13 ILE 126 2HD1 ILE 126 -0.046 1.093 17.485 972 H ARG 127 H ARG 127 -1.685 2.652 14.497 973 HA ARG 127 HA ARG 127 -4.544 2.983 14.065 974 HB2 ARG 127 1HB ARG 127 -2.700 1.368 12.245 975 HB3 ARG 127 2HB ARG 127 -4.273 1.998 11.826 976 HG2 ARG 127 1HG ARG 127 -3.509 4.312 11.888 977 HG3 ARG 127 2HG ARG 127 -1.949 3.874 12.561 978 HD2 ARG 127 1HD ARG 127 -2.946 2.951 9.781 979 HD3 ARG 127 2HD ARG 127 -1.905 4.345 10.089 980 HE ARG 127 HE ARG 127 -0.667 2.045 11.402 981 HH11 ARG 127 1HH1 ARG 127 -1.240 3.188 8.170 982 HH12 ARG 127 2HH1 ARG 127 0.250 2.340 7.520 983 HH21 ARG 127 1HH2 ARG 127 0.911 0.981 10.623 984 HH22 ARG 127 2HH2 ARG 127 1.407 1.144 8.879 985 H ASN 128 H ASN 128 -6.179 1.617 14.568 986 HA ASN 128 HA ASN 128 -5.696 -1.390 14.705 987 HB2 ASN 128 1HB ASN 128 -7.008 0.048 16.476 988 HB3 ASN 128 2HB ASN 128 -8.290 0.150 15.277 989 HD21 ASN 128 1HD2 ASN 128 -9.322 -0.843 17.235 990 HD22 ASN 128 2HD2 ASN 128 -9.303 -2.679 17.313 991 H TYR 129 H TYR 129 -6.235 -2.637 12.986 992 HA TYR 129 HA TYR 129 -8.421 -1.720 11.028 993 HB2 TYR 129 1HB TYR 129 -5.912 -3.393 10.294 994 HB3 TYR 129 2HB TYR 129 -7.268 -3.100 9.246 995 HD1 TYR 129 HD1 TYR 129 -4.567 -1.187 11.099 996 HD2 TYR 129 HD2 TYR 129 -7.121 -1.386 7.633 997 HE1 TYR 129 HE1 TYR 129 -3.290 0.623 10.015 998 HE2 TYR 129 HE2 TYR 129 -5.864 0.427 6.605 999 HH TYR 129 HH TYR 129 -4.185 1.856 6.814 1000 H LYS 130 H LYS 130 -9.977 -3.200 10.581 1001 HA LYS 130 HA LYS 130 -9.905 -5.726 12.293 1002 HB2 LYS 130 1HB LYS 130 -12.136 -3.879 11.493 1003 HB3 LYS 130 2HB LYS 130 -12.553 -5.545 11.208 1004 HG2 LYS 130 1HG LYS 130 -11.425 -4.510 13.889 1005 HG3 LYS 130 2HG LYS 130 -13.144 -4.627 13.523 1006 HD2 LYS 130 1HD LYS 130 -13.064 -7.077 13.273 1007 HD3 LYS 130 2HD LYS 130 -11.311 -7.097 13.262 1008 HE2 LYS 130 1HE LYS 130 -11.410 -6.071 15.691 1009 HE3 LYS 130 2HE LYS 130 -13.130 -6.462 15.681 1010 HZ1 LYS 130 3HZ LYS 130 -10.918 -8.453 15.068 1011 HZ2 LYS 130 1HZ LYS 130 -11.643 -8.384 16.544 1012 HZ3 LYS 130 2HZ LYS 130 -12.502 -8.861 15.216 1013 H ARG 131 H ARG 131 -9.466 -7.541 11.403 1014 HA ARG 131 HA ARG 131 -9.218 -8.030 8.485 1015 HB2 ARG 131 1HB ARG 131 -7.753 -8.999 10.237 1016 HB3 ARG 131 2HB ARG 131 -9.103 -9.913 10.911 1017 HG2 ARG 131 1HG ARG 131 -9.210 -11.023 8.449 1018 HG3 ARG 131 2HG ARG 131 -7.605 -10.319 8.240 1019 HD2 ARG 131 1HD ARG 131 -6.885 -11.460 10.444 1020 HD3 ARG 131 2HD ARG 131 -8.491 -12.202 10.522 1021 HE ARG 131 HE ARG 131 -7.184 -12.856 7.934 1022 HH11 ARG 131 1HH1 ARG 131 -7.013 -13.698 11.393 1023 HH12 ARG 131 2HH1 ARG 131 -6.393 -15.359 10.931 1024 HH21 ARG 131 1HH2 ARG 131 -6.450 -14.668 7.560 1025 HH22 ARG 131 2HH2 ARG 131 -6.077 -15.879 8.888 1026 H LEU 132 H LEU 132 -10.718 -8.595 7.205 1027 HA LEU 132 HA LEU 132 -13.408 -9.647 8.187 1028 HB2 LEU 132 1HB LEU 132 -12.547 -8.087 5.700 1029 HB3 LEU 132 2HB LEU 132 -14.213 -8.632 5.995 1030 HG LEU 132 HG LEU 132 -12.547 -6.551 7.511 1031 HD11 LEU 132 1HD1 LEU 132 -13.579 -5.851 5.337 1032 HD12 LEU 132 2HD1 LEU 132 -15.189 -6.370 5.901 1033 HD13 LEU 132 3HD1 LEU 132 -14.359 -5.009 6.690 1034 HD21 LEU 132 3HD2 LEU 132 -13.851 -7.645 9.282 1035 HD22 LEU 132 1HD2 LEU 132 -14.590 -6.081 8.932 1036 HD23 LEU 132 2HD2 LEU 132 -15.356 -7.569 8.325 1037 H SER 133 H SER 133 -14.249 -11.410 7.452 1038 HA SER 133 HA SER 133 -12.553 -13.328 5.816 1039 HB2 SER 133 1HB SER 133 -13.986 -15.099 6.735 1040 HB3 SER 133 2HB SER 133 -13.350 -14.074 8.024 1041 HG SER 133 HG SER 133 -15.592 -14.519 8.262 1042 HXT SER 133 HXT SER 133 -15.484 -13.406 4.993 Start of MODEL 17 1 H1 MET 1 1H MET 1 3.743 -13.534 8.193 2 H2 MET 1 2H MET 1 2.230 -13.089 8.647 3 HA MET 1 HA MET 1 2.321 -13.795 6.332 4 HB2 MET 1 1HB MET 1 3.094 -16.526 7.541 5 HB3 MET 1 2HB MET 1 2.582 -16.275 5.884 6 HG2 MET 1 1HG MET 1 4.599 -14.735 5.514 7 HG3 MET 1 2HG MET 1 5.146 -15.125 7.149 8 HE1 MET 1 3HE MET 1 6.219 -18.831 6.976 9 HE2 MET 1 1HE MET 1 6.681 -17.238 7.630 10 HE3 MET 1 2HE MET 1 5.045 -17.898 7.942 11 H SER 2 H SER 2 1.170 -16.320 8.619 12 HA SER 2 HA SER 2 -1.253 -16.569 6.951 13 HB2 SER 2 1HB SER 2 -0.972 -18.281 9.461 14 HB3 SER 2 2HB SER 2 -1.498 -18.716 7.835 15 HG SER 2 HG SER 2 1.162 -18.271 8.860 16 H SER 3 H SER 3 -0.887 -16.045 10.513 17 HA SER 3 HA SER 3 -3.622 -15.328 11.079 18 HB2 SER 3 1HB SER 3 -1.769 -15.622 12.770 19 HB3 SER 3 2HB SER 3 -1.147 -14.020 12.351 20 HG SER 3 HG SER 3 -3.345 -13.248 12.837 21 H PHE 4 H PHE 4 -1.397 -13.342 9.278 22 HA PHE 4 HA PHE 4 -3.083 -10.858 9.402 23 HB2 PHE 4 1HB PHE 4 -0.829 -11.628 7.469 24 HB3 PHE 4 2HB PHE 4 -1.526 -10.028 7.603 25 HD1 PHE 4 HD1 PHE 4 -1.510 -9.352 10.525 26 HD2 PHE 4 HD2 PHE 4 1.373 -11.510 8.153 27 HE1 PHE 4 HE1 PHE 4 0.292 -8.573 11.982 28 HE2 PHE 4 HE2 PHE 4 3.147 -10.814 9.707 29 HZ PHE 4 HZ PHE 4 2.623 -9.280 11.577 30 H LEU 5 H LEU 5 -3.214 -13.704 7.296 31 HA LEU 5 HA LEU 5 -3.738 -12.481 4.792 32 HB2 LEU 5 1HB LEU 5 -4.673 -15.204 5.812 33 HB3 LEU 5 2HB LEU 5 -4.886 -14.677 4.156 34 HG LEU 5 HG LEU 5 -2.133 -14.782 5.511 35 HD11 LEU 5 1HD1 LEU 5 -3.490 -16.905 3.708 36 HD12 LEU 5 2HD1 LEU 5 -1.822 -16.965 4.321 37 HD13 LEU 5 3HD1 LEU 5 -3.181 -17.072 5.452 38 HD21 LEU 5 3HD2 LEU 5 -1.260 -14.808 3.159 39 HD22 LEU 5 1HD2 LEU 5 -2.911 -14.642 2.520 40 HD23 LEU 5 2HD2 LEU 5 -2.166 -13.323 3.450 41 H GLY 6 H GLY 6 -5.405 -11.391 3.936 42 HA2 GLY 6 1HA GLY 6 -8.057 -11.633 3.577 43 HA3 GLY 6 2HA GLY 6 -8.127 -11.312 5.316 44 H LYS 7 H LYS 7 -9.533 -9.670 4.114 45 HA LYS 7 HA LYS 7 -7.990 -7.156 3.505 46 HB2 LYS 7 1HB LYS 7 -9.871 -5.949 2.853 47 HB3 LYS 7 2HB LYS 7 -9.606 -7.309 1.835 48 HG2 LYS 7 1HG LYS 7 -11.822 -7.286 3.973 49 HG3 LYS 7 2HG LYS 7 -11.981 -6.581 2.381 50 HD2 LYS 7 1HD LYS 7 -11.348 -8.835 1.328 51 HD3 LYS 7 2HD LYS 7 -11.413 -9.567 2.933 52 HE2 LYS 7 1HE LYS 7 -13.835 -8.883 3.187 53 HE3 LYS 7 2HE LYS 7 -13.782 -8.029 1.638 54 HZ1 LYS 7 3HZ LYS 7 -14.662 -10.315 1.273 55 HZ2 LYS 7 1HZ LYS 7 -13.183 -10.236 0.557 56 HZ3 LYS 7 2HZ LYS 7 -13.356 -11.017 1.994 57 H TRP 8 H TRP 8 -8.261 -5.243 4.740 58 HA TRP 8 HA TRP 8 -9.010 -5.863 7.636 59 HB2 TRP 8 1HB TRP 8 -6.670 -4.137 6.559 60 HB3 TRP 8 2HB TRP 8 -7.166 -4.267 8.244 61 HD1 TRP 8 HD1 TRP 8 -6.855 -7.834 6.656 62 HE1 TRP 8 HE1 TRP 8 -4.642 -8.982 7.423 63 HE3 TRP 8 HE3 TRP 8 -4.734 -3.672 8.846 64 HZ2 TRP 8 HZ2 TRP 8 -2.386 -8.092 8.899 65 HZ3 TRP 8 HZ3 TRP 8 -2.538 -3.930 9.969 66 HH2 TRP 8 HH2 TRP 8 -1.386 -6.101 10.012 67 H LYS 9 H LYS 9 -10.520 -4.462 8.381 68 HA LYS 9 HA LYS 9 -10.799 -1.760 7.002 69 HB2 LYS 9 1HB LYS 9 -13.059 -3.576 8.014 70 HB3 LYS 9 2HB LYS 9 -13.323 -1.873 7.720 71 HG2 LYS 9 1HG LYS 9 -12.185 -3.703 5.504 72 HG3 LYS 9 2HG LYS 9 -13.888 -3.666 5.883 73 HD2 LYS 9 1HD LYS 9 -13.486 -2.277 3.984 74 HD3 LYS 9 2HD LYS 9 -14.137 -1.313 5.303 75 HE2 LYS 9 1HE LYS 9 -11.919 -0.322 5.790 76 HE3 LYS 9 2HE LYS 9 -11.101 -1.415 4.668 77 HZ1 LYS 9 3HZ LYS 9 -13.258 0.395 3.609 78 HZ2 LYS 9 1HZ LYS 9 -11.727 0.977 3.900 79 HZ3 LYS 9 2HZ LYS 9 -11.914 -0.224 2.830 80 H LEU 10 H LEU 10 -10.659 -0.076 8.199 81 HA LEU 10 HA LEU 10 -9.354 -0.257 10.659 82 HB2 LEU 10 1HB LEU 10 -9.273 1.580 8.842 83 HB3 LEU 10 2HB LEU 10 -10.733 2.246 9.571 84 HG LEU 10 HG LEU 10 -9.351 2.418 11.797 85 HD11 LEU 10 1HD1 LEU 10 -6.899 2.620 11.532 86 HD12 LEU 10 2HD1 LEU 10 -7.372 0.989 11.048 87 HD13 LEU 10 3HD1 LEU 10 -6.988 2.192 9.803 88 HD21 LEU 10 3HD2 LEU 10 -8.613 4.184 9.365 89 HD22 LEU 10 1HD2 LEU 10 -10.019 4.398 10.439 90 HD23 LEU 10 2HD2 LEU 10 -8.383 4.601 11.080 91 H SER 11 H SER 11 -9.841 -0.147 12.734 92 HA SER 11 HA SER 11 -12.708 -0.042 13.647 93 HB2 SER 11 1HB SER 11 -11.357 -1.987 14.374 94 HB3 SER 11 2HB SER 11 -10.243 -0.921 15.221 95 HG SER 11 HG SER 11 -12.267 -0.106 16.307 96 H GLU 12 H GLU 12 -9.620 1.698 14.090 97 HA GLU 12 HA GLU 12 -11.135 4.120 14.704 98 HB2 GLU 12 1HB GLU 12 -10.369 4.755 16.886 99 HB3 GLU 12 2HB GLU 12 -11.194 3.226 16.944 100 HG2 GLU 12 1HG GLU 12 -9.472 2.651 18.319 101 HG3 GLU 12 2HG GLU 12 -8.705 2.188 16.816 102 H SER 13 H SER 13 -9.873 6.023 14.927 103 HA SER 13 HA SER 13 -7.161 5.949 13.462 104 HB2 SER 13 1HB SER 13 -8.959 6.776 11.959 105 HB3 SER 13 2HB SER 13 -9.445 8.000 13.150 106 HG SER 13 HG SER 13 -8.065 9.014 11.778 107 H HIS 14 H HIS 14 -6.146 5.943 15.516 108 HA HIS 14 HA HIS 14 -6.717 7.879 17.547 109 HB2 HIS 14 1HB HIS 14 -5.411 5.521 17.609 110 HB3 HIS 14 2HB HIS 14 -3.989 6.512 17.541 111 HD1 HIS 14 HD1 HIS 14 -6.839 5.383 19.635 112 HD2 HIS 14 HD2 HIS 14 -3.888 8.512 19.810 113 HE1 HIS 14 HE1 HIS 14 -6.690 6.363 22.083 114 HE2 HIS 14 HE2 HIS 14 -4.952 8.282 22.248 115 H ASN 15 H ASN 15 -3.680 7.845 15.750 116 HA ASN 15 HA ASN 15 -3.691 10.895 15.769 117 HB2 ASN 15 1HB ASN 15 -1.176 9.124 15.992 118 HB3 ASN 15 2HB ASN 15 -1.189 10.869 15.791 119 HD21 ASN 15 1HD2 ASN 15 0.284 9.864 17.791 120 HD22 ASN 15 2HD2 ASN 15 -0.572 10.297 19.356 121 H PHE 16 H PHE 16 -4.666 8.737 13.809 122 HA PHE 16 HA PHE 16 -2.730 8.930 11.565 123 HB2 PHE 16 1HB PHE 16 -3.897 6.839 12.188 124 HB3 PHE 16 2HB PHE 16 -5.436 7.517 11.746 125 HD1 PHE 16 HD1 PHE 16 -2.014 6.830 10.322 126 HD2 PHE 16 HD2 PHE 16 -6.212 7.203 9.478 127 HE1 PHE 16 HE1 PHE 16 -1.619 6.094 7.980 128 HE2 PHE 16 HE2 PHE 16 -5.827 6.431 7.182 129 HZ PHE 16 HZ PHE 16 -3.545 5.858 6.416 130 H ASP 17 H ASP 17 -3.028 11.334 11.743 131 HA ASP 17 HA ASP 17 -4.101 11.932 9.030 132 HB2 ASP 17 1HB ASP 17 -5.545 13.584 9.368 133 HB3 ASP 17 2HB ASP 17 -5.952 12.554 10.693 134 H ALA 18 H ALA 18 -2.336 13.449 11.747 135 HA ALA 18 HA ALA 18 -0.687 15.105 9.865 136 HB1 ALA 18 3HB ALA 18 -1.378 15.897 12.233 137 HB2 ALA 18 1HB ALA 18 -0.232 14.688 12.887 138 HB3 ALA 18 2HB ALA 18 0.357 16.028 11.887 139 H VAL 19 H VAL 19 -0.396 12.071 11.261 140 HA VAL 19 HA VAL 19 2.443 11.514 11.183 141 HB VAL 19 HB VAL 19 0.622 10.120 12.211 142 HG11 VAL 19 1HG1 VAL 19 -0.609 8.432 11.085 143 HG12 VAL 19 2HG1 VAL 19 -1.040 9.997 10.356 144 HG13 VAL 19 3HG1 VAL 19 0.019 8.862 9.487 145 HG21 VAL 19 3HG2 VAL 19 2.920 9.177 11.960 146 HG22 VAL 19 1HG2 VAL 19 1.660 7.954 11.889 147 HG23 VAL 19 2HG2 VAL 19 2.465 8.461 10.390 148 H MET 20 H MET 20 0.133 11.326 8.605 149 HA MET 20 HA MET 20 2.386 10.807 6.636 150 HB2 MET 20 1HB MET 20 -0.580 10.152 6.230 151 HB3 MET 20 2HB MET 20 0.641 10.132 4.957 152 HG2 MET 20 1HG MET 20 2.002 8.424 6.129 153 HG3 MET 20 2HG MET 20 0.820 8.345 7.445 154 HE1 MET 20 3HE MET 20 0.699 5.731 6.980 155 HE2 MET 20 1HE MET 20 0.241 5.018 5.405 156 HE3 MET 20 2HE MET 20 1.798 5.870 5.580 157 H SER 21 H SER 21 -0.115 13.246 7.478 158 HA SER 21 HA SER 21 0.512 14.912 5.143 159 HB2 SER 21 1HB SER 21 -1.555 15.164 6.670 160 HB3 SER 21 2HB SER 21 -0.505 15.920 7.866 161 HG SER 21 HG SER 21 0.160 17.345 6.009 162 H LYS 22 H LYS 22 2.094 14.755 8.396 163 HA LYS 22 HA LYS 22 4.009 16.891 7.675 164 HB2 LYS 22 1HB LYS 22 4.791 16.722 9.784 165 HB3 LYS 22 2HB LYS 22 3.210 16.026 10.006 166 HG2 LYS 22 1HG LYS 22 4.365 14.573 11.217 167 HG3 LYS 22 2HG LYS 22 4.350 13.664 9.720 168 HD2 LYS 22 1HD LYS 22 6.632 13.987 9.280 169 HD3 LYS 22 2HD LYS 22 6.755 15.527 10.088 170 HE2 LYS 22 1HE LYS 22 6.351 12.877 11.652 171 HE3 LYS 22 2HE LYS 22 7.931 13.445 11.160 172 HZ1 LYS 22 3HZ LYS 22 6.118 14.799 13.149 173 HZ2 LYS 22 1HZ LYS 22 7.628 14.300 13.391 174 HZ3 LYS 22 2HZ LYS 22 7.358 15.628 12.448 175 H LEU 23 H LEU 23 3.862 13.636 6.921 176 HA LEU 23 HA LEU 23 6.644 13.271 5.832 177 HB2 LEU 23 1HB LEU 23 5.111 11.427 6.820 178 HB3 LEU 23 2HB LEU 23 4.077 11.667 5.431 179 HG LEU 23 HG LEU 23 6.345 11.267 4.032 180 HD11 LEU 23 1HD1 LEU 23 6.999 9.494 6.452 181 HD12 LEU 23 2HD1 LEU 23 8.024 9.962 5.068 182 HD13 LEU 23 3HD1 LEU 23 7.658 11.121 6.349 183 HD21 LEU 23 3HD2 LEU 23 5.665 8.792 4.020 184 HD22 LEU 23 1HD2 LEU 23 4.708 9.043 5.475 185 HD23 LEU 23 2HD2 LEU 23 4.255 9.850 3.953 186 H GLY 24 H GLY 24 3.352 13.790 4.439 187 HA2 GLY 24 1HA GLY 24 3.700 15.554 2.395 188 HA3 GLY 24 2HA GLY 24 4.618 14.237 1.683 189 H VAL 25 H VAL 25 1.442 14.517 3.259 190 HA VAL 25 HA VAL 25 0.107 13.114 0.920 191 HB VAL 25 HB VAL 25 -0.779 13.798 3.763 192 HG11 VAL 25 1HG1 VAL 25 -2.571 12.401 1.684 193 HG12 VAL 25 2HG1 VAL 25 -2.940 12.747 3.381 194 HG13 VAL 25 3HG1 VAL 25 -2.811 14.069 2.205 195 HG21 VAL 25 3HG2 VAL 25 -0.993 11.301 3.918 196 HG22 VAL 25 1HG2 VAL 25 -0.555 11.117 2.200 197 HG23 VAL 25 2HG2 VAL 25 0.651 11.706 3.354 198 H SER 26 H SER 26 -0.471 14.347 -0.695 199 HA SER 26 HA SER 26 -0.820 17.192 -0.728 200 HB2 SER 26 1HB SER 26 -1.933 15.045 -2.657 201 HB3 SER 26 2HB SER 26 -1.919 16.777 -3.008 202 HG SER 26 HG SER 26 0.041 15.077 -3.415 203 H TRP 27 H TRP 27 -2.617 18.570 -0.779 204 HA TRP 27 HA TRP 27 -4.856 17.812 0.927 205 HB2 TRP 27 1HB TRP 27 -4.013 20.366 -0.533 206 HB3 TRP 27 2HB TRP 27 -5.627 20.313 0.120 207 HD1 TRP 27 HD1 TRP 27 -2.033 20.848 1.372 208 HE1 TRP 27 HE1 TRP 27 -1.996 21.297 3.962 209 HE3 TRP 27 HE3 TRP 27 -6.866 19.384 2.321 210 HZ2 TRP 27 HZ2 TRP 27 -3.932 21.026 6.042 211 HZ3 TRP 27 HZ3 TRP 27 -7.705 19.496 4.651 212 HH2 TRP 27 HH2 TRP 27 -6.276 20.317 6.475 213 H ALA 28 H ALA 28 -4.961 16.457 -1.638 214 HA ALA 28 HA ALA 28 -7.994 16.563 -1.858 215 HB1 ALA 28 3HB ALA 28 -7.886 15.259 -3.951 216 HB2 ALA 28 1HB ALA 28 -6.983 16.769 -4.134 217 HB3 ALA 28 2HB ALA 28 -6.108 15.234 -3.911 218 H THR 29 H THR 29 -5.151 14.362 -1.537 219 HA THR 29 HA THR 29 -6.782 12.143 -0.369 220 HB THR 29 HB THR 29 -4.505 11.164 0.234 221 HG1 THR 29 HG1 THR 29 -2.670 12.045 -0.463 222 HG21 THR 29 3HG2 THR 29 -4.737 11.874 -2.740 223 HG22 THR 29 1HG2 THR 29 -3.775 10.578 -2.000 224 HG23 THR 29 2HG2 THR 29 -5.549 10.520 -1.908 225 H ARG 30 H ARG 30 -5.680 15.015 1.013 226 HA ARG 30 HA ARG 30 -5.160 13.849 3.722 227 HB2 ARG 30 1HB ARG 30 -4.085 16.093 2.462 228 HB3 ARG 30 2HB ARG 30 -5.353 16.874 3.342 229 HG2 ARG 30 1HG ARG 30 -3.581 14.902 4.925 230 HG3 ARG 30 2HG ARG 30 -2.770 16.234 4.171 231 HD2 ARG 30 1HD ARG 30 -3.201 16.998 6.325 232 HD3 ARG 30 2HD ARG 30 -4.331 17.881 5.323 233 HE ARG 30 HE ARG 30 -6.074 15.938 6.019 234 HH11 ARG 30 1HH1 ARG 30 -3.568 17.112 8.232 235 HH12 ARG 30 2HH1 ARG 30 -4.613 16.507 9.642 236 HH21 ARG 30 1HH2 ARG 30 -7.057 15.313 7.736 237 HH22 ARG 30 2HH2 ARG 30 -6.322 15.709 9.383 238 H GLN 31 H GLN 31 -7.797 14.360 2.033 239 HA GLN 31 HA GLN 31 -9.447 14.106 4.521 240 HB2 GLN 31 1HB GLN 31 -11.280 15.344 3.853 241 HB3 GLN 31 2HB GLN 31 -9.878 16.383 3.755 242 HG2 GLN 31 1HG GLN 31 -11.294 15.074 1.328 243 HG3 GLN 31 2HG GLN 31 -11.721 16.623 1.992 244 HE21 GLN 31 1HE2 GLN 31 -8.704 17.243 2.317 245 HE22 GLN 31 2HE2 GLN 31 -8.329 17.767 0.585 246 H ILE 32 H ILE 32 -8.230 12.356 2.274 247 HA ILE 32 HA ILE 32 -10.560 10.381 2.500 248 HB ILE 32 HB ILE 32 -8.323 10.673 0.458 249 HG12 ILE 32 1HG1 ILE 32 -10.347 9.714 -1.026 250 HG13 ILE 32 2HG1 ILE 32 -11.358 10.072 0.349 251 HG21 ILE 32 1HG2 ILE 32 -7.893 8.343 1.187 252 HG22 ILE 32 2HG2 ILE 32 -9.601 7.922 0.978 253 HG23 ILE 32 3HG2 ILE 32 -8.611 8.374 -0.427 254 HD11 ILE 32 3HD1 ILE 32 -9.610 12.063 -1.239 255 HD12 ILE 32 1HD1 ILE 32 -11.375 11.890 -1.343 256 HD13 ILE 32 2HD1 ILE 32 -10.641 12.549 0.125 257 H GLY 33 H GLY 33 -7.076 10.884 3.195 258 HA2 GLY 33 1HA GLY 33 -6.436 8.429 4.568 259 HA3 GLY 33 2HA GLY 33 -5.782 9.984 5.033 260 H ASN 34 H ASN 34 -7.785 11.349 6.247 261 HA ASN 34 HA ASN 34 -8.709 9.561 8.518 262 HB2 ASN 34 1HB ASN 34 -8.825 11.504 9.856 263 HB3 ASN 34 2HB ASN 34 -7.290 11.497 9.037 264 HD21 ASN 34 1HD2 ASN 34 -10.111 13.325 9.593 265 HD22 ASN 34 2HD2 ASN 34 -9.638 14.719 8.504 266 H THR 35 H THR 35 -10.105 9.083 6.196 267 HA THR 35 HA THR 35 -12.923 9.830 6.936 268 HB THR 35 HB THR 35 -11.668 10.746 4.291 269 HG1 THR 35 HG1 THR 35 -11.646 11.881 6.603 270 HG21 THR 35 3HG2 THR 35 -14.543 11.211 5.338 271 HG22 THR 35 1HG2 THR 35 -13.827 11.906 3.868 272 HG23 THR 35 2HG2 THR 35 -14.121 10.160 3.964 273 H VAL 36 H VAL 36 -11.130 8.431 4.107 274 HA VAL 36 HA VAL 36 -13.263 6.284 4.090 275 HB VAL 36 HB VAL 36 -11.279 6.912 1.844 276 HG11 VAL 36 1HG1 VAL 36 -12.828 5.488 0.489 277 HG12 VAL 36 2HG1 VAL 36 -12.338 4.562 1.904 278 HG13 VAL 36 3HG1 VAL 36 -13.948 5.314 1.852 279 HG21 VAL 36 3HG2 VAL 36 -13.523 7.882 0.730 280 HG22 VAL 36 1HG2 VAL 36 -14.009 8.157 2.445 281 HG23 VAL 36 2HG2 VAL 36 -12.550 8.892 1.818 282 H THR 37 H THR 37 -12.602 4.861 5.414 283 HA THR 37 HA THR 37 -10.198 4.336 6.539 284 HB THR 37 HB THR 37 -11.009 2.114 7.303 285 HG1 THR 37 HG1 THR 37 -13.499 2.470 6.337 286 HG21 THR 37 3HG2 THR 37 -11.745 4.190 8.506 287 HG22 THR 37 1HG2 THR 37 -13.131 4.320 7.415 288 HG23 THR 37 2HG2 THR 37 -12.998 2.935 8.529 289 HA PRO 38 HA PRO 38 -7.836 2.630 3.081 290 HB2 PRO 38 1HB PRO 38 -5.307 2.244 4.274 291 HB3 PRO 38 2HB PRO 38 -5.999 3.734 3.608 292 HG2 PRO 38 1HG PRO 38 -5.982 2.850 6.540 293 HG3 PRO 38 2HG PRO 38 -5.615 4.448 5.868 294 HD2 PRO 38 1HD PRO 38 -8.061 3.879 6.977 295 HD3 PRO 38 2HD PRO 38 -7.966 4.943 5.536 296 H THR 39 H THR 39 -8.437 0.842 2.321 297 HA THR 39 HA THR 39 -8.830 -1.604 3.801 298 HB THR 39 HB THR 39 -8.909 -1.192 0.763 299 HG1 THR 39 HG1 THR 39 -10.444 0.023 0.841 300 HG21 THR 39 3HG2 THR 39 -10.660 -2.976 2.597 301 HG22 THR 39 1HG2 THR 39 -10.942 -2.691 0.862 302 HG23 THR 39 2HG2 THR 39 -9.473 -3.524 1.381 303 H VAL 40 H VAL 40 -6.482 -1.689 4.339 304 HA VAL 40 HA VAL 40 -4.523 -2.519 2.362 305 HB VAL 40 HB VAL 40 -2.862 -2.833 4.144 306 HG11 VAL 40 1HG1 VAL 40 -3.222 -0.636 3.020 307 HG12 VAL 40 2HG1 VAL 40 -4.394 -0.158 4.270 308 HG13 VAL 40 3HG1 VAL 40 -2.685 -0.435 4.696 309 HG21 VAL 40 3HG2 VAL 40 -4.255 -3.516 6.139 310 HG22 VAL 40 1HG2 VAL 40 -3.316 -2.054 6.484 311 HG23 VAL 40 2HG2 VAL 40 -5.054 -1.944 6.142 312 H THR 41 H THR 41 -5.223 -4.238 1.370 313 HA THR 41 HA THR 41 -6.202 -6.612 2.809 314 HB THR 41 HB THR 41 -6.237 -5.812 -0.123 315 HG1 THR 41 HG1 THR 41 -7.416 -4.434 1.124 316 HG21 THR 41 3HG2 THR 41 -7.713 -8.150 1.180 317 HG22 THR 41 1HG2 THR 41 -8.254 -7.319 -0.309 318 HG23 THR 41 2HG2 THR 41 -6.685 -8.137 -0.260 319 H PHE 42 H PHE 42 -4.962 -8.204 3.366 320 HA PHE 42 HA PHE 42 -2.256 -8.450 1.972 321 HB2 PHE 42 1HB PHE 42 -2.394 -7.778 4.432 322 HB3 PHE 42 2HB PHE 42 -3.095 -9.338 4.816 323 HD1 PHE 42 HD1 PHE 42 -0.026 -7.702 3.312 324 HD2 PHE 42 HD2 PHE 42 -1.615 -11.270 5.126 325 HE1 PHE 42 HE1 PHE 42 2.249 -8.589 3.610 326 HE2 PHE 42 HE2 PHE 42 0.672 -12.115 5.450 327 HZ PHE 42 HZ PHE 42 2.616 -10.748 4.750 328 H THR 43 H THR 43 -2.495 -9.996 0.385 329 HA THR 43 HA THR 43 -3.461 -12.734 1.144 330 HB THR 43 HB THR 43 -4.274 -12.603 -1.259 331 HG1 THR 43 HG1 THR 43 -2.942 -11.053 -2.151 332 HG21 THR 43 3HG2 THR 43 -5.402 -10.047 -0.021 333 HG22 THR 43 1HG2 THR 43 -6.259 -11.400 -0.800 334 HG23 THR 43 2HG2 THR 43 -5.646 -11.536 0.885 335 H MET 44 H MET 44 -2.348 -14.485 0.276 336 HA MET 44 HA MET 44 0.385 -14.013 -0.962 337 HB2 MET 44 1HB MET 44 0.086 -15.865 0.775 338 HB3 MET 44 2HB MET 44 -0.946 -16.728 -0.370 339 HG2 MET 44 1HG MET 44 1.120 -16.580 -2.040 340 HG3 MET 44 2HG MET 44 2.069 -16.131 -0.626 341 HE1 MET 44 3HE MET 44 3.096 -17.902 0.909 342 HE2 MET 44 1HE MET 44 1.545 -17.843 1.808 343 HE3 MET 44 2HE MET 44 2.278 -19.416 1.385 344 H ASP 45 H ASP 45 0.144 -13.376 -3.031 345 HA ASP 45 HA ASP 45 -2.110 -14.438 -4.767 346 HB2 ASP 45 1HB ASP 45 -0.216 -12.026 -5.026 347 HB3 ASP 45 2HB ASP 45 -1.318 -12.519 -6.292 348 H GLY 46 H GLY 46 -1.167 -16.478 -4.880 349 HA2 GLY 46 1HA GLY 46 -0.336 -18.170 -6.474 350 HA3 GLY 46 2HA GLY 46 0.564 -16.944 -7.336 351 H ASP 47 H ASP 47 2.280 -15.921 -5.855 352 HA ASP 47 HA ASP 47 3.962 -18.128 -4.580 353 HB2 ASP 47 1HB ASP 47 4.919 -17.390 -6.723 354 HB3 ASP 47 2HB ASP 47 4.756 -15.691 -6.313 355 H LYS 48 H LYS 48 3.486 -14.639 -4.531 356 HA LYS 48 HA LYS 48 4.503 -14.569 -1.655 357 HB2 LYS 48 1HB LYS 48 6.017 -12.865 -2.300 358 HB3 LYS 48 2HB LYS 48 6.173 -14.278 -3.321 359 HG2 LYS 48 1HG LYS 48 4.897 -13.042 -5.160 360 HG3 LYS 48 2HG LYS 48 4.891 -11.592 -4.154 361 HD2 LYS 48 1HD LYS 48 7.232 -11.280 -4.290 362 HD3 LYS 48 2HD LYS 48 7.591 -12.975 -4.544 363 HE2 LYS 48 1HE LYS 48 6.304 -11.194 -6.715 364 HE3 LYS 48 2HE LYS 48 8.029 -11.507 -6.537 365 HZ1 LYS 48 2HZ LYS 48 5.922 -13.401 -7.319 366 HZ3 LYS 48 1HZ LYS 48 7.149 -14.023 -6.494 367 H MET 49 H MET 49 4.405 -12.169 -0.848 368 HA MET 49 HA MET 49 1.462 -12.152 -0.212 369 HB2 MET 49 1HB MET 49 3.937 -11.093 1.299 370 HB3 MET 49 2HB MET 49 2.315 -10.590 1.729 371 HG2 MET 49 1HG MET 49 2.938 -12.431 3.177 372 HG3 MET 49 2HG MET 49 1.587 -12.936 2.150 373 HE1 MET 49 3HE MET 49 3.012 -14.922 3.783 374 HE2 MET 49 1HE MET 49 1.925 -15.522 2.503 375 HE3 MET 49 2HE MET 49 3.556 -16.228 2.694 376 H THR 50 H THR 50 0.172 -10.457 -0.629 377 HA THR 50 HA THR 50 1.362 -7.996 -2.025 378 HB THR 50 HB THR 50 -1.081 -9.668 -2.865 379 HG1 THR 50 HG1 THR 50 0.908 -10.702 -3.215 380 HG21 THR 50 3HG2 THR 50 -1.206 -7.247 -3.635 381 HG22 THR 50 1HG2 THR 50 0.358 -7.451 -4.438 382 HG23 THR 50 2HG2 THR 50 -1.022 -8.421 -4.964 383 H MET 51 H MET 51 0.513 -6.177 -1.346 384 HA MET 51 HA MET 51 -1.950 -6.137 0.457 385 HB2 MET 51 1HB MET 51 -0.061 -3.810 -0.160 386 HB3 MET 51 2HB MET 51 -1.619 -3.650 0.627 387 HG2 MET 51 1HG MET 51 -0.808 -5.300 2.454 388 HG3 MET 51 2HG MET 51 0.816 -5.118 1.777 389 HE1 MET 51 3HE MET 51 1.933 -2.758 1.345 390 HE2 MET 51 1HE MET 51 0.603 -1.656 0.894 391 HE3 MET 51 2HE MET 51 1.600 -1.311 2.336 392 H LEU 52 H LEU 52 -3.626 -6.376 -0.869 393 HA LEU 52 HA LEU 52 -3.930 -4.851 -3.443 394 HB2 LEU 52 1HB LEU 52 -6.011 -6.624 -2.051 395 HB3 LEU 52 2HB LEU 52 -6.053 -6.061 -3.696 396 HG LEU 52 HG LEU 52 -3.827 -7.897 -2.575 397 HD11 LEU 52 1HD1 LEU 52 -4.907 -9.795 -3.516 398 HD12 LEU 52 2HD1 LEU 52 -6.066 -9.034 -2.416 399 HD13 LEU 52 3HD1 LEU 52 -6.278 -8.844 -4.178 400 HD21 LEU 52 3HD2 LEU 52 -4.629 -7.222 -5.492 401 HD22 LEU 52 1HD2 LEU 52 -3.148 -6.725 -4.625 402 HD23 LEU 52 2HD2 LEU 52 -3.425 -8.438 -4.998 403 H THR 53 H THR 53 -3.507 -2.945 -2.062 404 HA THR 53 HA THR 53 -5.306 -1.875 -0.134 405 HB THR 53 HB THR 53 -3.172 -0.552 -1.889 406 HG1 THR 53 HG1 THR 53 -1.966 -0.842 -0.005 407 HG21 THR 53 3HG2 THR 53 -4.590 1.263 -0.867 408 HG22 THR 53 1HG2 THR 53 -4.464 0.490 0.730 409 HG23 THR 53 2HG2 THR 53 -3.012 1.188 -0.062 410 H GLU 54 H GLU 54 -7.270 -1.289 -0.435 411 HA GLU 54 HA GLU 54 -8.197 -0.109 -3.075 412 HB2 GLU 54 1HB GLU 54 -8.496 -2.545 -2.465 413 HB3 GLU 54 2HB GLU 54 -9.500 -2.122 -1.099 414 HG2 GLU 54 1HG GLU 54 -10.157 -1.636 -4.059 415 HG3 GLU 54 2HG GLU 54 -10.662 -2.992 -3.073 416 H SER 55 H SER 55 -7.930 1.971 -2.318 417 HA SER 55 HA SER 55 -9.994 3.032 -0.287 418 HB2 SER 55 1HB SER 55 -7.253 4.261 -1.057 419 HB3 SER 55 2HB SER 55 -8.349 4.859 0.193 420 HG SER 55 HG SER 55 -7.256 2.246 0.155 421 H THR 56 H THR 56 -10.603 5.448 -0.800 422 HA THR 56 HA THR 56 -11.628 5.612 -3.498 423 HB THR 56 HB THR 56 -11.433 7.782 -1.353 424 HG1 THR 56 HG1 THR 56 -13.710 6.481 -2.336 425 HG21 THR 56 3HG2 THR 56 -11.859 8.978 -3.552 426 HG22 THR 56 1HG2 THR 56 -13.152 7.835 -3.934 427 HG23 THR 56 2HG2 THR 56 -13.307 8.934 -2.541 428 H PHE 57 H PHE 57 -8.671 7.116 -2.297 429 HA PHE 57 HA PHE 57 -7.998 8.022 -5.161 430 HB2 PHE 57 1HB PHE 57 -7.156 9.055 -2.415 431 HB3 PHE 57 2HB PHE 57 -6.026 9.186 -3.717 432 HD1 PHE 57 HD1 PHE 57 -9.754 9.929 -3.267 433 HD2 PHE 57 HD2 PHE 57 -5.971 11.237 -4.871 434 HE1 PHE 57 HE1 PHE 57 -10.806 11.979 -4.103 435 HE2 PHE 57 HE2 PHE 57 -7.038 13.271 -5.705 436 HZ PHE 57 HZ PHE 57 -9.460 13.660 -5.330 437 H LYS 58 H LYS 58 -6.630 6.224 -2.412 438 HA LYS 58 HA LYS 58 -4.528 5.060 -4.330 439 HB2 LYS 58 1HB LYS 58 -4.596 4.999 -1.249 440 HB3 LYS 58 2HB LYS 58 -3.626 3.900 -2.194 441 HG2 LYS 58 1HG LYS 58 -2.021 5.453 -1.833 442 HG3 LYS 58 2HG LYS 58 -2.570 5.908 -3.409 443 HD2 LYS 58 1HD LYS 58 -2.619 8.003 -2.599 444 HD3 LYS 58 2HD LYS 58 -4.193 7.629 -1.979 445 HE2 LYS 58 1HE LYS 58 -1.471 7.550 -0.479 446 HE3 LYS 58 2HE LYS 58 -2.683 8.807 -0.366 447 HZ1 LYS 58 3HZ LYS 58 -2.856 7.263 1.543 448 HZ2 LYS 58 1HZ LYS 58 -4.247 7.160 0.666 449 HZ3 LYS 58 2HZ LYS 58 -3.117 5.969 0.558 450 H ASN 59 H ASN 59 -6.449 4.115 -5.369 451 HA ASN 59 HA ASN 59 -7.138 1.369 -4.219 452 HB2 ASN 59 1HB ASN 59 -8.783 3.211 -5.454 453 HB3 ASN 59 2HB ASN 59 -8.283 2.350 -6.870 454 HD21 ASN 59 1HD2 ASN 59 -10.374 2.368 -4.311 455 HD22 ASN 59 2HD2 ASN 59 -11.015 0.653 -4.430 456 H LEU 60 H LEU 60 -5.190 0.356 -4.461 457 HA LEU 60 HA LEU 60 -4.168 -0.335 -7.170 458 HB2 LEU 60 1HB LEU 60 -1.952 0.773 -6.953 459 HB3 LEU 60 2HB LEU 60 -3.310 1.847 -7.108 460 HG LEU 60 HG LEU 60 -3.166 1.874 -4.356 461 HD11 LEU 60 1HD1 LEU 60 -1.123 0.350 -4.240 462 HD12 LEU 60 2HD1 LEU 60 -0.214 1.475 -5.263 463 HD13 LEU 60 3HD1 LEU 60 -0.752 1.969 -3.644 464 HD21 LEU 60 3HD2 LEU 60 -1.429 3.557 -6.289 465 HD22 LEU 60 1HD2 LEU 60 -3.117 3.887 -5.835 466 HD23 LEU 60 2HD2 LEU 60 -1.825 4.008 -4.615 467 H SER 61 H SER 61 -3.014 -2.166 -7.206 468 HA SER 61 HA SER 61 -2.444 -3.569 -4.610 469 HB2 SER 61 1HB SER 61 -2.049 -5.561 -6.068 470 HB3 SER 61 2HB SER 61 -3.635 -4.833 -6.364 471 HG SER 61 HG SER 61 -1.323 -4.181 -7.903 472 H VAL 62 H VAL 62 -0.467 -3.980 -3.790 473 HA VAL 62 HA VAL 62 2.011 -3.638 -5.524 474 HB VAL 62 HB VAL 62 3.207 -3.025 -3.460 475 HG11 VAL 62 1HG1 VAL 62 2.788 -1.456 -5.355 476 HG12 VAL 62 2HG1 VAL 62 1.243 -0.954 -4.626 477 HG13 VAL 62 3HG1 VAL 62 2.792 -0.612 -3.807 478 HG21 VAL 62 3HG2 VAL 62 1.998 -1.691 -1.722 479 HG22 VAL 62 1HG2 VAL 62 0.437 -2.230 -2.385 480 HG23 VAL 62 2HG2 VAL 62 1.568 -3.418 -1.679 481 H THR 63 H THR 63 3.366 -5.252 -5.526 482 HA THR 63 HA THR 63 2.672 -7.775 -3.934 483 HB THR 63 HB THR 63 3.853 -7.707 -6.773 484 HG1 THR 63 HG1 THR 63 1.554 -7.115 -6.300 485 HG21 THR 63 3HG2 THR 63 4.538 -9.805 -5.782 486 HG22 THR 63 1HG2 THR 63 3.017 -10.007 -4.898 487 HG23 THR 63 2HG2 THR 63 3.052 -10.193 -6.673 488 H PHE 64 H PHE 64 4.234 -8.793 -2.970 489 HA PHE 64 HA PHE 64 7.164 -8.197 -3.268 490 HB2 PHE 64 1HB PHE 64 7.425 -7.242 -0.964 491 HB3 PHE 64 2HB PHE 64 6.504 -6.253 -2.033 492 HD1 PHE 64 HD1 PHE 64 6.120 -8.588 0.894 493 HD2 PHE 64 HD2 PHE 64 4.170 -5.668 -1.598 494 HE1 PHE 64 HE1 PHE 64 4.208 -8.545 2.432 495 HE2 PHE 64 HE2 PHE 64 2.276 -5.613 -0.055 496 HZ PHE 64 HZ PHE 64 2.245 -7.076 1.937 497 H LYS 65 H LYS 65 8.555 -9.396 -1.934 498 HA LYS 65 HA LYS 65 7.251 -11.580 -0.235 499 HB2 LYS 65 1HB LYS 65 8.982 -13.113 -0.560 500 HB3 LYS 65 2HB LYS 65 8.478 -12.536 -2.111 501 HG2 LYS 65 1HG LYS 65 10.575 -10.835 -1.902 502 HG3 LYS 65 2HG LYS 65 11.082 -11.881 -0.592 503 HD2 LYS 65 1HD LYS 65 12.216 -12.545 -2.574 504 HD3 LYS 65 2HD LYS 65 11.125 -13.865 -2.182 505 HE2 LYS 65 1HE LYS 65 9.801 -13.586 -4.099 506 HE3 LYS 65 2HE LYS 65 9.857 -11.819 -4.022 507 HZ1 LYS 65 3HZ LYS 65 12.140 -11.784 -4.854 508 HZ2 LYS 65 1HZ LYS 65 12.203 -13.434 -4.983 509 HZ3 LYS 65 2HZ LYS 65 11.175 -12.562 -5.961 510 H PHE 66 H PHE 66 8.492 -12.208 1.710 511 HA PHE 66 HA PHE 66 8.943 -9.735 3.305 512 HB2 PHE 66 1HB PHE 66 9.079 -11.349 5.234 513 HB3 PHE 66 2HB PHE 66 7.572 -11.065 4.427 514 HD1 PHE 66 HD1 PHE 66 10.373 -13.593 4.678 515 HD2 PHE 66 HD2 PHE 66 6.280 -12.910 3.535 516 HE1 PHE 66 HE1 PHE 66 10.039 -16.019 4.407 517 HE2 PHE 66 HE2 PHE 66 5.970 -15.331 3.232 518 HZ PHE 66 HZ PHE 66 7.839 -16.894 3.672 519 H GLY 67 H GLY 67 10.697 -9.285 1.927 520 HA2 GLY 67 1HA GLY 67 13.235 -9.232 3.429 521 HA3 GLY 67 2HA GLY 67 13.367 -10.413 2.116 522 H GLU 68 H GLU 68 12.017 -9.186 0.094 523 HA GLU 68 HA GLU 68 13.901 -7.118 -0.929 524 HB2 GLU 68 1HB GLU 68 11.216 -8.281 -1.959 525 HB3 GLU 68 2HB GLU 68 12.127 -7.108 -2.878 526 HG2 GLU 68 1HG GLU 68 14.047 -8.595 -3.177 527 HG3 GLU 68 2HG GLU 68 13.408 -9.786 -2.063 528 H GLU 69 H GLU 69 13.218 -5.101 -1.819 529 HA GLU 69 HA GLU 69 11.095 -3.555 -0.289 530 HB2 GLU 69 1HB GLU 69 13.031 -2.518 -2.461 531 HB3 GLU 69 2HB GLU 69 11.757 -1.590 -1.683 532 HG2 GLU 69 1HG GLU 69 12.950 -2.129 0.599 533 HG3 GLU 69 2HG GLU 69 14.321 -2.656 -0.362 534 H PHE 70 H PHE 70 9.183 -3.223 -1.137 535 HA PHE 70 HA PHE 70 8.659 -3.444 -4.122 536 HB2 PHE 70 1HB PHE 70 6.356 -3.111 -3.868 537 HB3 PHE 70 2HB PHE 70 6.899 -4.481 -2.998 538 HD1 PHE 70 HD1 PHE 70 6.849 -4.456 -0.439 539 HD2 PHE 70 HD2 PHE 70 5.264 -1.175 -2.731 540 HE1 PHE 70 HE1 PHE 70 5.475 -3.782 1.465 541 HE2 PHE 70 HE2 PHE 70 3.970 -0.440 -0.765 542 HZ PHE 70 HZ PHE 70 4.053 -1.742 1.330 543 H ASP 71 H ASP 71 7.507 -1.457 -5.034 544 HA ASP 71 HA ASP 71 7.641 0.918 -3.223 545 HB2 ASP 71 1HB ASP 71 8.212 2.600 -4.622 546 HB3 ASP 71 2HB ASP 71 9.451 1.373 -4.680 547 H GLU 72 H GLU 72 6.062 2.385 -3.308 548 HA GLU 72 HA GLU 72 3.521 1.473 -4.733 549 HB2 GLU 72 1HB GLU 72 2.110 2.310 -3.011 550 HB3 GLU 72 2HB GLU 72 3.183 1.070 -2.400 551 HG2 GLU 72 1HG GLU 72 4.591 2.788 -1.229 552 HG3 GLU 72 2HG GLU 72 3.594 4.084 -1.878 553 H LYS 73 H LYS 73 3.015 2.769 -6.287 554 HA LYS 73 HA LYS 73 3.873 5.673 -6.319 555 HB2 LYS 73 1HB LYS 73 3.961 4.301 -8.419 556 HB3 LYS 73 2HB LYS 73 2.225 4.125 -8.428 557 HG2 LYS 73 1HG LYS 73 3.224 7.017 -8.248 558 HG3 LYS 73 2HG LYS 73 3.810 6.136 -9.623 559 HD2 LYS 73 1HD LYS 73 1.981 7.281 -10.392 560 HD3 LYS 73 2HD LYS 73 1.487 5.617 -10.406 561 HE2 LYS 73 1HE LYS 73 0.711 7.526 -8.061 562 HE3 LYS 73 2HE LYS 73 -0.133 7.598 -9.596 563 HZ1 LYS 73 3HZ LYS 73 -0.033 5.273 -7.708 564 HZ2 LYS 73 1HZ LYS 73 -1.374 6.021 -8.302 565 HZ3 LYS 73 2HZ LYS 73 -0.487 5.032 -9.282 566 H THR 74 H THR 74 2.757 7.072 -5.164 567 HA THR 74 HA THR 74 0.073 6.300 -4.165 568 HB THR 74 HB THR 74 0.457 8.102 -2.517 569 HG1 THR 74 HG1 THR 74 3.010 8.489 -3.647 570 HG21 THR 74 3HG2 THR 74 2.566 7.220 -1.460 571 HG22 THR 74 1HG2 THR 74 1.548 5.875 -2.041 572 HG23 THR 74 2HG2 THR 74 2.981 6.361 -2.964 573 H SER 75 H SER 75 -1.840 7.277 -4.618 574 HA SER 75 HA SER 75 -2.218 9.463 -6.541 575 HB2 SER 75 1HB SER 75 -3.819 7.609 -5.988 576 HB3 SER 75 2HB SER 75 -4.140 8.379 -4.432 577 HG SER 75 HG SER 75 -5.540 8.886 -6.315 578 H ASP 76 H ASP 76 -1.117 9.637 -3.341 579 HA ASP 76 HA ASP 76 -1.595 12.480 -2.758 580 HB2 ASP 76 1HB ASP 76 0.900 10.783 -2.134 581 HB3 ASP 76 2HB ASP 76 0.492 12.326 -1.411 582 H GLY 77 H GLY 77 0.686 10.763 -4.842 583 HA2 GLY 77 1HA GLY 77 1.725 11.851 -6.807 584 HA3 GLY 77 2HA GLY 77 1.819 13.372 -5.944 585 H ARG 78 H ARG 78 2.995 9.994 -5.374 586 HA ARG 78 HA ARG 78 5.827 10.731 -5.581 587 HB2 ARG 78 1HB ARG 78 6.580 10.421 -3.265 588 HB3 ARG 78 2HB ARG 78 5.648 11.884 -3.501 589 HG2 ARG 78 1HG ARG 78 3.627 10.815 -2.413 590 HG3 ARG 78 2HG ARG 78 4.517 9.322 -2.208 591 HD2 ARG 78 1HD ARG 78 6.277 11.072 -0.930 592 HD3 ARG 78 2HD ARG 78 4.791 11.959 -0.683 593 HE ARG 78 HE ARG 78 5.600 9.385 0.668 594 HH11 ARG 78 1HH1 ARG 78 2.763 11.162 -0.163 595 HH12 ARG 78 2HH1 ARG 78 1.636 9.879 0.477 596 HH21 ARG 78 1HH2 ARG 78 4.529 8.166 1.630 597 HH22 ARG 78 2HH2 ARG 78 2.680 8.279 1.709 598 H ASN 79 H ASN 79 6.763 8.890 -6.291 599 HA ASN 79 HA ASN 79 5.636 6.231 -5.482 600 HB2 ASN 79 1HB ASN 79 6.756 5.088 -7.100 601 HB3 ASN 79 2HB ASN 79 6.046 6.485 -7.855 602 HD21 ASN 79 1HD2 ASN 79 8.872 4.671 -7.619 603 HD22 ASN 79 2HD2 ASN 79 9.925 5.942 -8.453 604 H VAL 80 H VAL 80 6.322 5.147 -3.842 605 HA VAL 80 HA VAL 80 8.954 6.040 -2.491 606 HB VAL 80 HB VAL 80 7.951 6.099 -0.383 607 HG11 VAL 80 1HG1 VAL 80 6.373 7.944 -2.312 608 HG12 VAL 80 2HG1 VAL 80 6.866 8.318 -0.648 609 HG13 VAL 80 3HG1 VAL 80 8.085 8.165 -1.925 610 HG21 VAL 80 3HG2 VAL 80 5.134 5.796 -1.628 611 HG22 VAL 80 1HG2 VAL 80 5.919 4.641 -0.526 612 HG23 VAL 80 2HG2 VAL 80 5.499 6.254 0.053 613 H LYS 81 H LYS 81 9.852 4.492 -1.124 614 HA LYS 81 HA LYS 81 9.511 1.707 -2.276 615 HB2 LYS 81 1HB LYS 81 11.958 3.270 -1.370 616 HB3 LYS 81 2HB LYS 81 11.905 1.631 -0.796 617 HG2 LYS 81 1HG LYS 81 13.110 1.505 -2.778 618 HG3 LYS 81 2HG LYS 81 11.566 0.738 -3.099 619 HD2 LYS 81 1HD LYS 81 10.804 3.047 -4.139 620 HD3 LYS 81 2HD LYS 81 12.474 3.569 -3.990 621 HE2 LYS 81 1HE LYS 81 13.277 1.766 -5.500 622 HE3 LYS 81 2HE LYS 81 11.712 0.946 -5.470 623 HZ1 LYS 81 3HZ LYS 81 12.022 2.432 -7.514 624 HZ2 LYS 81 1HZ LYS 81 10.633 2.747 -6.689 625 HZ3 LYS 81 2HZ LYS 81 11.938 3.761 -6.528 626 H SER 82 H SER 82 9.876 -0.057 -0.678 627 HA SER 82 HA SER 82 9.109 0.564 2.173 628 HB2 SER 82 1HB SER 82 7.220 -0.931 0.296 629 HB3 SER 82 2HB SER 82 7.055 -0.951 2.061 630 HG SER 82 HG SER 82 7.361 1.541 0.806 631 H VAL 83 H VAL 83 10.694 -0.502 3.105 632 HA VAL 83 HA VAL 83 11.661 -3.138 2.096 633 HB VAL 83 HB VAL 83 13.180 -1.367 2.846 634 HG11 VAL 83 1HG1 VAL 83 12.418 -2.000 5.747 635 HG12 VAL 83 2HG1 VAL 83 13.857 -1.106 5.198 636 HG13 VAL 83 3HG1 VAL 83 12.250 -0.460 4.853 637 HG21 VAL 83 3HG2 VAL 83 14.839 -2.927 3.822 638 HG22 VAL 83 1HG2 VAL 83 13.550 -4.052 4.326 639 HG23 VAL 83 2HG2 VAL 83 13.885 -3.782 2.598 640 H VAL 84 H VAL 84 10.841 -5.015 2.589 641 HA VAL 84 HA VAL 84 8.832 -5.219 4.835 642 HB VAL 84 HB VAL 84 9.368 -7.184 2.523 643 HG11 VAL 84 1HG1 VAL 84 7.909 -7.948 4.594 644 HG12 VAL 84 2HG1 VAL 84 6.755 -6.684 4.130 645 HG13 VAL 84 3HG1 VAL 84 7.095 -8.031 3.018 646 HG21 VAL 84 3HG2 VAL 84 7.387 -6.173 1.344 647 HG22 VAL 84 1HG2 VAL 84 7.364 -4.826 2.513 648 HG23 VAL 84 2HG2 VAL 84 8.741 -5.054 1.424 649 H GLU 85 H GLU 85 9.263 -6.282 6.601 650 HA GLU 85 HA GLU 85 10.862 -8.858 6.481 651 HB2 GLU 85 1HB GLU 85 12.487 -7.212 7.200 652 HB3 GLU 85 2HB GLU 85 11.493 -6.620 8.501 653 HG2 GLU 85 1HG GLU 85 12.525 -9.541 8.387 654 HG3 GLU 85 2HG GLU 85 13.467 -8.215 9.025 655 H LYS 86 H LYS 86 9.660 -10.358 7.255 656 HA LYS 86 HA LYS 86 7.276 -9.839 9.058 657 HB2 LYS 86 1HB LYS 86 6.924 -11.133 6.914 658 HB3 LYS 86 2HB LYS 86 8.031 -12.375 7.454 659 HG2 LYS 86 1HG LYS 86 5.376 -11.559 8.812 660 HG3 LYS 86 2HG LYS 86 5.547 -12.835 7.635 661 HD2 LYS 86 1HD LYS 86 6.641 -12.793 10.510 662 HD3 LYS 86 2HD LYS 86 5.279 -13.657 9.903 663 HE2 LYS 86 1HE LYS 86 6.579 -15.470 9.682 664 HE3 LYS 86 2HE LYS 86 7.230 -14.749 8.215 665 HZ1 LYS 86 3HZ LYS 86 9.106 -15.290 9.769 666 HZ2 LYS 86 1HZ LYS 86 8.996 -13.637 9.687 667 HZ3 LYS 86 2HZ LYS 86 8.435 -14.392 10.990 668 H ASN 87 H ASN 87 7.755 -10.012 11.193 669 HA ASN 87 HA ASN 87 10.257 -11.615 11.946 670 HB2 ASN 87 1HB ASN 87 9.902 -9.107 12.500 671 HB3 ASN 87 2HB ASN 87 8.753 -9.589 13.709 672 HD21 ASN 87 1HD2 ASN 87 12.076 -9.895 12.641 673 HD22 ASN 87 2HD2 ASN 87 12.739 -10.232 14.345 674 H SER 88 H SER 88 7.267 -11.046 13.712 675 HA SER 88 HA SER 88 6.729 -14.065 13.932 676 HB2 SER 88 1HB SER 88 6.850 -12.834 16.117 677 HB3 SER 88 2HB SER 88 5.578 -11.712 15.595 678 HG SER 88 HG SER 88 5.023 -13.700 16.888 679 H GLU 89 H GLU 89 4.328 -14.559 13.691 680 HA GLU 89 HA GLU 89 2.967 -13.204 11.402 681 HB2 GLU 89 1HB GLU 89 2.018 -15.378 13.395 682 HB3 GLU 89 2HB GLU 89 1.074 -14.722 12.096 683 HG2 GLU 89 1HG GLU 89 3.171 -15.510 10.547 684 HG3 GLU 89 2HG GLU 89 3.460 -16.596 11.888 685 H SER 90 H SER 90 3.454 -12.109 14.260 686 HA SER 90 HA SER 90 1.250 -10.153 14.004 687 HB2 SER 90 1HB SER 90 0.843 -9.895 16.481 688 HB3 SER 90 2HB SER 90 0.410 -11.506 15.928 689 HG SER 90 HG SER 90 2.427 -12.243 16.684 690 H LYS 91 H LYS 91 4.104 -10.148 13.225 691 HA LYS 91 HA LYS 91 4.377 -7.302 13.928 692 HB2 LYS 91 1HB LYS 91 5.555 -8.738 15.882 693 HB3 LYS 91 2HB LYS 91 6.720 -9.200 14.702 694 HG2 LYS 91 1HG LYS 91 7.781 -7.459 15.812 695 HG3 LYS 91 2HG LYS 91 7.257 -6.674 14.345 696 HD2 LYS 91 1HD LYS 91 6.899 -5.218 16.224 697 HD3 LYS 91 2HD LYS 91 5.348 -5.580 15.538 698 HE2 LYS 91 1HE LYS 91 6.354 -7.306 17.906 699 HE3 LYS 91 2HE LYS 91 5.912 -5.633 18.224 700 HZ1 LYS 91 3HZ LYS 91 3.685 -5.918 17.543 701 HZ2 LYS 91 1HZ LYS 91 3.913 -7.395 16.783 702 HZ3 LYS 91 2HZ LYS 91 3.959 -7.286 18.430 703 H LEU 92 H LEU 92 4.207 -7.070 11.655 704 HA LEU 92 HA LEU 92 6.673 -7.913 10.041 705 HB2 LEU 92 1HB LEU 92 4.476 -8.923 9.575 706 HB3 LEU 92 2HB LEU 92 3.739 -7.382 9.210 707 HG LEU 92 HG LEU 92 6.121 -8.621 7.713 708 HD11 LEU 92 1HD1 LEU 92 3.111 -8.710 6.969 709 HD12 LEU 92 2HD1 LEU 92 4.441 -9.346 5.973 710 HD13 LEU 92 3HD1 LEU 92 4.074 -10.090 7.531 711 HD21 LEU 92 3HD2 LEU 92 4.315 -6.256 6.929 712 HD22 LEU 92 1HD2 LEU 92 6.077 -6.256 7.121 713 HD23 LEU 92 2HD2 LEU 92 5.339 -7.122 5.777 714 H THR 93 H THR 93 8.004 -6.269 9.408 715 HA THR 93 HA THR 93 7.085 -3.437 10.195 716 HB THR 93 HB THR 93 8.720 -4.462 11.634 717 HG1 THR 93 HG1 THR 93 10.010 -2.375 10.281 718 HG21 THR 93 3HG2 THR 93 11.043 -4.794 11.107 719 HG22 THR 93 1HG2 THR 93 10.106 -5.691 9.893 720 HG23 THR 93 2HG2 THR 93 10.880 -4.161 9.450 721 H GLN 94 H GLN 94 6.182 -3.574 8.155 722 HA GLN 94 HA GLN 94 7.636 -3.455 5.633 723 HB2 GLN 94 1HB GLN 94 5.357 -4.318 6.038 724 HB3 GLN 94 2HB GLN 94 4.756 -2.712 6.431 725 HG2 GLN 94 1HG GLN 94 5.174 -2.002 4.016 726 HG3 GLN 94 2HG GLN 94 5.770 -3.617 3.666 727 HE21 GLN 94 1HE2 GLN 94 4.176 -5.069 3.037 728 HE22 GLN 94 2HE2 GLN 94 2.388 -4.727 3.270 729 H THR 95 H THR 95 9.187 -1.771 5.950 730 HA THR 95 HA THR 95 8.208 0.817 7.066 731 HB THR 95 HB THR 95 11.114 -0.028 6.581 732 HG1 THR 95 HG1 THR 95 9.985 -1.463 7.868 733 HG21 THR 95 3HG2 THR 95 9.777 2.214 8.240 734 HG22 THR 95 1HG2 THR 95 11.394 1.602 8.593 735 HG23 THR 95 2HG2 THR 95 11.058 2.374 7.038 736 H GLN 96 H GLN 96 7.782 2.541 5.914 737 HA GLN 96 HA GLN 96 8.098 2.397 2.950 738 HB2 GLN 96 1HB GLN 96 6.576 4.461 4.631 739 HB3 GLN 96 2HB GLN 96 6.641 4.480 2.888 740 HG2 GLN 96 1HG GLN 96 5.435 2.348 2.697 741 HG3 GLN 96 2HG GLN 96 5.593 2.004 4.410 742 HE21 GLN 96 1HE2 GLN 96 3.373 3.153 2.173 743 HE22 GLN 96 2HE2 GLN 96 2.386 4.097 3.400 744 H VAL 97 H VAL 97 9.635 3.405 1.761 745 HA VAL 97 HA VAL 97 11.530 5.369 3.160 746 HB VAL 97 HB VAL 97 12.014 3.322 0.914 747 HG11 VAL 97 1HG1 VAL 97 13.385 5.365 0.417 748 HG12 VAL 97 2HG1 VAL 97 13.856 5.466 2.126 749 HG13 VAL 97 3HG1 VAL 97 14.448 4.121 1.102 750 HG21 VAL 97 3HG2 VAL 97 12.022 2.307 3.211 751 HG22 VAL 97 1HG2 VAL 97 13.654 2.356 2.542 752 HG23 VAL 97 2HG2 VAL 97 13.162 3.545 3.786 753 H ASP 98 H ASP 98 10.016 7.013 2.768 754 HA ASP 98 HA ASP 98 9.317 7.876 0.053 755 HB2 ASP 98 1HB ASP 98 9.033 9.138 2.884 756 HB3 ASP 98 2HB ASP 98 8.194 9.735 1.496 757 HA PRO 99 HA PRO 99 12.491 11.357 -0.167 758 HB2 PRO 99 1HB PRO 99 10.965 13.617 -0.858 759 HB3 PRO 99 2HB PRO 99 11.452 12.336 -1.987 760 HG2 PRO 99 1HG PRO 99 8.783 12.526 -0.451 761 HG3 PRO 99 2HG PRO 99 9.002 12.325 -2.211 762 HD2 PRO 99 1HD PRO 99 8.543 10.136 -0.636 763 HD3 PRO 99 2HD PRO 99 9.758 10.013 -1.940 764 H LYS 100 H LYS 100 10.017 11.290 2.062 765 HA LYS 100 HA LYS 100 11.537 13.145 3.968 766 HB2 LYS 100 1HB LYS 100 8.590 12.497 3.795 767 HB3 LYS 100 2HB LYS 100 9.218 12.248 5.383 768 HG2 LYS 100 1HG LYS 100 9.702 14.881 3.853 769 HG3 LYS 100 2HG LYS 100 8.294 14.581 4.860 770 HD2 LYS 100 1HD LYS 100 9.791 14.054 6.847 771 HD3 LYS 100 2HD LYS 100 11.209 14.441 5.872 772 HE2 LYS 100 1HE LYS 100 10.224 16.808 5.469 773 HE3 LYS 100 2HE LYS 100 8.868 16.389 6.527 774 HZ1 LYS 100 3HZ LYS 100 11.779 16.361 7.367 775 HZ2 LYS 100 1HZ LYS 100 10.692 17.506 7.829 776 HZ3 LYS 100 2HZ LYS 100 10.541 15.953 8.354 777 H ASN 101 H ASN 101 11.210 9.811 3.251 778 HA ASN 101 HA ASN 101 11.423 7.821 4.399 779 HB2 ASN 101 1HB ASN 101 13.266 9.389 6.289 780 HB3 ASN 101 2HB ASN 101 13.056 7.655 6.290 781 HD21 ASN 101 1HD2 ASN 101 14.340 10.300 4.403 782 HD22 ASN 101 2HD2 ASN 101 15.283 9.185 3.283 783 H THR 102 H THR 102 9.730 6.867 5.238 784 HA THR 102 HA THR 102 8.308 7.918 7.681 785 HB THR 102 HB THR 102 7.797 5.358 6.087 786 HG1 THR 102 HG1 THR 102 7.249 6.980 4.610 787 HG21 THR 102 3HG2 THR 102 5.539 5.386 6.990 788 HG22 THR 102 1HG2 THR 102 6.631 5.463 8.389 789 HG23 THR 102 2HG2 THR 102 5.799 6.929 7.808 790 H THR 103 H THR 103 8.512 6.968 9.713 791 HA THR 103 HA THR 103 10.879 5.221 10.200 792 HB THR 103 HB THR 103 8.896 6.571 12.068 793 HG1 THR 103 HG1 THR 103 11.541 7.191 11.248 794 HG21 THR 103 3HG2 THR 103 11.658 5.370 12.783 795 HG22 THR 103 1HG2 THR 103 10.564 6.279 13.857 796 HG23 THR 103 2HG2 THR 103 10.087 4.684 13.248 797 H VAL 104 H VAL 104 10.721 3.196 11.314 798 HA VAL 104 HA VAL 104 9.368 1.234 10.108 799 HB VAL 104 HB VAL 104 9.614 -0.321 11.945 800 HG11 VAL 104 1HG1 VAL 104 12.132 1.382 11.434 801 HG12 VAL 104 2HG1 VAL 104 12.085 -0.297 12.015 802 HG13 VAL 104 3HG1 VAL 104 11.499 0.087 10.394 803 HG21 VAL 104 3HG2 VAL 104 10.816 0.276 14.048 804 HG22 VAL 104 1HG2 VAL 104 10.743 2.008 13.650 805 HG23 VAL 104 2HG2 VAL 104 9.257 1.105 14.001 806 H ILE 105 H ILE 105 7.337 1.001 9.522 807 HA ILE 105 HA ILE 105 5.190 1.941 11.209 808 HB ILE 105 HB ILE 105 3.711 1.715 9.431 809 HG12 ILE 105 1HG1 ILE 105 4.536 0.714 7.137 810 HG13 ILE 105 2HG1 ILE 105 5.666 -0.232 8.099 811 HG21 ILE 105 1HG2 ILE 105 5.582 3.485 9.183 812 HG22 ILE 105 2HG2 ILE 105 6.361 2.421 8.015 813 HG23 ILE 105 3HG2 ILE 105 4.732 3.047 7.680 814 HD11 ILE 105 3HD1 ILE 105 2.622 -0.277 8.640 815 HD12 ILE 105 1HD1 ILE 105 3.400 -1.305 7.421 816 HD13 ILE 105 2HD1 ILE 105 3.835 -1.486 9.130 817 H VAL 106 H VAL 106 6.415 -0.777 11.522 818 HA VAL 106 HA VAL 106 5.621 -3.184 11.786 819 HB VAL 106 HB VAL 106 5.159 -3.293 14.261 820 HG11 VAL 106 1HG1 VAL 106 7.720 -1.836 13.336 821 HG12 VAL 106 2HG1 VAL 106 7.501 -2.693 14.877 822 HG13 VAL 106 3HG1 VAL 106 7.442 -3.592 13.352 823 HG21 VAL 106 3HG2 VAL 106 5.883 -0.298 14.353 824 HG22 VAL 106 1HG2 VAL 106 4.221 -0.889 14.341 825 HG23 VAL 106 2HG2 VAL 106 5.316 -1.366 15.675 826 H ARG 107 H ARG 107 4.056 -3.983 10.695 827 HA ARG 107 HA ARG 107 1.197 -3.372 11.478 828 HB2 ARG 107 1HB ARG 107 0.349 -4.088 9.542 829 HB3 ARG 107 2HB ARG 107 1.734 -3.102 9.176 830 HG2 ARG 107 1HG ARG 107 3.033 -5.322 8.748 831 HG3 ARG 107 2HG ARG 107 1.505 -6.167 8.889 832 HD2 ARG 107 1HD ARG 107 2.272 -3.944 6.873 833 HD3 ARG 107 2HD ARG 107 2.206 -5.638 6.489 834 HE ARG 107 HE ARG 107 -0.063 -3.757 6.498 835 HH11 ARG 107 1HH1 ARG 107 0.636 -7.106 7.019 836 HH12 ARG 107 2HH1 ARG 107 -0.997 -7.632 6.384 837 HH21 ARG 107 1HH2 ARG 107 -1.927 -4.357 5.844 838 HH22 ARG 107 2HH2 ARG 107 -2.410 -6.102 5.825 839 H GLU 108 H GLU 108 0.445 -4.414 13.055 840 HA GLU 108 HA GLU 108 1.621 -7.108 13.865 841 HB2 GLU 108 1HB GLU 108 0.279 -5.090 15.740 842 HB3 GLU 108 2HB GLU 108 1.375 -6.383 16.141 843 HG2 GLU 108 1HG GLU 108 3.278 -5.053 15.006 844 HG3 GLU 108 2HG GLU 108 2.119 -3.799 14.644 845 H VAL 109 H VAL 109 -0.090 -7.917 15.780 846 HA VAL 109 HA VAL 109 -2.894 -7.421 15.319 847 HB VAL 109 HB VAL 109 -2.965 -8.855 13.478 848 HG11 VAL 109 1HG1 VAL 109 -2.376 -11.236 13.351 849 HG12 VAL 109 2HG1 VAL 109 -0.959 -10.277 13.773 850 HG13 VAL 109 3HG1 VAL 109 -1.773 -11.235 15.029 851 HG21 VAL 109 3HG2 VAL 109 -4.200 -10.485 15.779 852 HG22 VAL 109 1HG2 VAL 109 -4.929 -9.051 15.018 853 HG23 VAL 109 2HG2 VAL 109 -4.667 -10.537 14.075 854 H ASP 110 H ASP 110 -3.615 -7.330 17.317 855 HA ASP 110 HA ASP 110 -2.433 -9.162 19.453 856 HB2 ASP 110 1HB ASP 110 -3.658 -6.343 19.528 857 HB3 ASP 110 2HB ASP 110 -3.516 -7.290 20.970 858 H GLY 111 H GLY 111 -4.234 -10.404 17.851 859 HA2 GLY 111 1HA GLY 111 -5.925 -12.138 18.397 860 HA3 GLY 111 2HA GLY 111 -6.375 -11.249 19.831 861 H ASP 112 H ASP 112 -6.623 -11.261 16.355 862 HA ASP 112 HA ASP 112 -7.788 -9.953 14.829 863 HB2 ASP 112 1HB ASP 112 -9.346 -11.819 15.332 864 HB3 ASP 112 2HB ASP 112 -10.260 -10.773 16.408 865 H THR 113 H THR 113 -6.593 -8.338 16.003 866 HA THR 113 HA THR 113 -8.058 -5.780 15.722 867 HB THR 113 HB THR 113 -8.472 -5.883 17.969 868 HG1 THR 113 HG1 THR 113 -7.536 -3.894 17.290 869 HG21 THR 113 3HG2 THR 113 -6.859 -6.086 19.833 870 HG22 THR 113 1HG2 THR 113 -7.012 -7.605 18.938 871 HG23 THR 113 2HG2 THR 113 -5.583 -6.585 18.713 872 H MET 114 H MET 114 -6.892 -5.936 13.915 873 HA MET 114 HA MET 114 -4.160 -6.775 13.707 874 HB2 MET 114 1HB MET 114 -5.502 -5.381 11.360 875 HB3 MET 114 2HB MET 114 -4.296 -6.618 11.391 876 HG2 MET 114 1HG MET 114 -7.274 -6.979 12.093 877 HG3 MET 114 2HG MET 114 -6.465 -7.447 10.601 878 HE1 MET 114 3HE MET 114 -4.341 -10.514 11.555 879 HE2 MET 114 1HE MET 114 -5.223 -9.697 10.230 880 HE3 MET 114 2HE MET 114 -3.886 -8.866 11.079 881 H LYS 115 H LYS 115 -3.292 -5.261 15.157 882 HA LYS 115 HA LYS 115 -3.677 -2.454 14.725 883 HB2 LYS 115 1HB LYS 115 -3.140 -2.110 16.925 884 HB3 LYS 115 2HB LYS 115 -4.013 -3.600 16.766 885 HG2 LYS 115 1HG LYS 115 -2.548 -4.408 18.239 886 HG3 LYS 115 2HG LYS 115 -1.525 -4.714 16.854 887 HD2 LYS 115 1HD LYS 115 -0.327 -2.522 17.233 888 HD3 LYS 115 2HD LYS 115 -1.414 -2.137 18.570 889 HE2 LYS 115 1HE LYS 115 -0.585 -4.011 19.948 890 HE3 LYS 115 2HE LYS 115 0.280 -4.724 18.590 891 HZ1 LYS 115 3HZ LYS 115 1.817 -3.366 20.000 892 HZ2 LYS 115 1HZ LYS 115 1.766 -2.878 18.432 893 HZ3 LYS 115 2HZ LYS 115 0.998 -1.969 19.595 894 H THR 116 H THR 116 -2.525 -1.210 13.364 895 HA THR 116 HA THR 116 0.398 -1.935 12.945 896 HB THR 116 HB THR 116 -0.692 -2.408 10.976 897 HG1 THR 116 HG1 THR 116 1.372 -0.777 11.254 898 HG21 THR 116 3HG2 THR 116 -1.435 0.527 10.517 899 HG22 THR 116 1HG2 THR 116 -1.622 -0.830 9.391 900 HG23 THR 116 2HG2 THR 116 -2.601 -0.770 10.874 901 H THR 117 H THR 117 1.337 -0.820 14.344 902 HA THR 117 HA THR 117 0.624 1.848 15.246 903 HB THR 117 HB THR 117 3.167 0.172 15.775 904 HG1 THR 117 HG1 THR 117 1.932 -1.249 16.688 905 HG21 THR 117 3HG2 THR 117 1.763 2.262 17.555 906 HG22 THR 117 1HG2 THR 117 3.075 1.183 18.085 907 HG23 THR 117 2HG2 THR 117 3.381 2.387 16.820 908 H VAL 118 H VAL 118 0.792 3.302 13.448 909 HA VAL 118 HA VAL 118 3.398 3.260 11.947 910 HB VAL 118 HB VAL 118 1.438 3.066 10.701 911 HG11 VAL 118 1HG1 VAL 118 -0.197 4.672 11.791 912 HG12 VAL 118 2HG1 VAL 118 0.764 6.036 11.168 913 HG13 VAL 118 3HG1 VAL 118 -0.021 4.946 10.037 914 HG21 VAL 118 3HG2 VAL 118 2.855 5.716 9.920 915 HG22 VAL 118 1HG2 VAL 118 3.616 4.138 9.781 916 HG23 VAL 118 2HG2 VAL 118 2.164 4.492 8.825 917 H THR 119 H THR 119 5.057 4.365 12.850 918 HA THR 119 HA THR 119 4.553 7.222 13.817 919 HB THR 119 HB THR 119 5.302 5.741 15.570 920 HG1 THR 119 HG1 THR 119 7.255 6.860 16.093 921 HG21 THR 119 3HG2 THR 119 6.599 3.981 14.343 922 HG22 THR 119 1HG2 THR 119 7.851 5.159 13.934 923 HG23 THR 119 2HG2 THR 119 7.563 4.700 15.640 924 H VAL 120 H VAL 120 6.076 8.808 13.399 925 HA VAL 120 HA VAL 120 8.107 8.385 11.140 926 HB VAL 120 HB VAL 120 6.131 10.731 11.024 927 HG11 VAL 120 1HG1 VAL 120 8.296 11.116 9.857 928 HG12 VAL 120 2HG1 VAL 120 8.176 9.578 9.007 929 HG13 VAL 120 3HG1 VAL 120 7.023 10.868 8.646 930 HG21 VAL 120 3HG2 VAL 120 5.884 7.990 9.719 931 HG22 VAL 120 1HG2 VAL 120 4.742 8.870 10.752 932 HG23 VAL 120 2HG2 VAL 120 5.025 9.451 9.088 933 H GLY 121 H GLY 121 9.655 8.582 12.716 934 HA2 GLY 121 1HA GLY 121 11.072 9.607 14.369 935 HA3 GLY 121 2HA GLY 121 10.423 11.166 13.909 936 H ASP 122 H ASP 122 7.959 11.017 14.584 937 HA ASP 122 HA ASP 122 7.892 10.981 17.618 938 HB2 ASP 122 1HB ASP 122 7.806 13.495 17.638 939 HB3 ASP 122 2HB ASP 122 9.257 12.931 16.843 940 H VAL 123 H VAL 123 5.932 9.838 15.804 941 HA VAL 123 HA VAL 123 3.456 11.497 16.603 942 HB VAL 123 HB VAL 123 3.755 10.124 13.850 943 HG11 VAL 123 1HG1 VAL 123 1.501 11.854 15.156 944 HG12 VAL 123 2HG1 VAL 123 1.612 11.594 13.430 945 HG13 VAL 123 3HG1 VAL 123 1.351 10.210 14.510 946 HG21 VAL 123 3HG2 VAL 123 3.866 13.135 14.630 947 HG22 VAL 123 1HG2 VAL 123 5.178 12.189 13.906 948 HG23 VAL 123 2HG2 VAL 123 3.706 12.522 12.963 949 H THR 124 H THR 124 4.300 8.228 15.556 950 HA THR 124 HA THR 124 3.269 6.159 15.903 951 HB THR 124 HB THR 124 3.179 7.349 18.700 952 HG1 THR 124 HG1 THR 124 5.186 6.240 18.819 953 HG21 THR 124 3HG2 THR 124 3.490 5.009 19.552 954 HG22 THR 124 1HG2 THR 124 1.966 5.083 18.664 955 HG23 THR 124 2HG2 THR 124 3.398 4.367 17.901 956 H ALA 125 H ALA 125 1.525 6.227 14.584 957 HA ALA 125 HA ALA 125 -1.176 6.889 15.852 958 HB1 ALA 125 3HB ALA 125 -0.241 6.596 12.949 959 HB2 ALA 125 1HB ALA 125 -1.938 6.787 13.372 960 HB3 ALA 125 2HB ALA 125 -0.756 8.053 13.775 961 H ILE 126 H ILE 126 -1.432 5.192 17.113 962 HA ILE 126 HA ILE 126 -1.094 2.439 16.457 963 HB ILE 126 HB ILE 126 -0.989 3.469 18.661 964 HG12 ILE 126 1HG1 ILE 126 -2.234 1.647 19.991 965 HG13 ILE 126 2HG1 ILE 126 -2.870 1.037 18.469 966 HG21 ILE 126 1HG2 ILE 126 -4.072 3.595 18.781 967 HG22 ILE 126 2HG2 ILE 126 -2.942 3.831 20.129 968 HG23 ILE 126 3HG2 ILE 126 -2.932 4.963 18.787 969 HD11 ILE 126 3HD1 ILE 126 -0.702 -0.085 19.269 970 HD12 ILE 126 1HD1 ILE 126 -0.530 0.633 17.650 971 HD13 ILE 126 2HD1 ILE 126 0.152 1.456 19.073 972 H ARG 127 H ARG 127 -2.013 2.207 14.413 973 HA ARG 127 HA ARG 127 -4.865 2.725 13.988 974 HB2 ARG 127 1HB ARG 127 -2.895 1.248 12.194 975 HB3 ARG 127 2HB ARG 127 -4.550 1.561 11.726 976 HG2 ARG 127 1HG ARG 127 -4.278 3.932 11.576 977 HG3 ARG 127 2HG ARG 127 -2.824 3.936 12.561 978 HD2 ARG 127 1HD ARG 127 -2.134 4.318 10.331 979 HD3 ARG 127 2HD ARG 127 -1.513 2.754 10.845 980 HE ARG 127 HE ARG 127 -4.060 2.448 9.333 981 HH11 ARG 127 1HH1 ARG 127 -0.679 3.088 8.849 982 HH12 ARG 127 2HH1 ARG 127 -0.701 2.398 7.157 983 HH21 ARG 127 1HH2 ARG 127 -4.030 1.541 7.421 984 HH22 ARG 127 2HH2 ARG 127 -2.520 1.626 6.410 985 H ASN 128 H ASN 128 -6.304 1.502 14.963 986 HA ASN 128 HA ASN 128 -6.023 -1.478 15.276 987 HB2 ASN 128 1HB ASN 128 -6.996 0.169 17.041 988 HB3 ASN 128 2HB ASN 128 -8.422 0.295 16.012 989 HD21 ASN 128 1HD2 ASN 128 -8.798 -0.448 18.501 990 HD22 ASN 128 2HD2 ASN 128 -9.207 -2.240 18.557 991 H TYR 129 H TYR 129 -7.205 -2.930 14.214 992 HA TYR 129 HA TYR 129 -9.056 -2.198 11.918 993 HB2 TYR 129 1HB TYR 129 -6.226 -3.456 11.786 994 HB3 TYR 129 2HB TYR 129 -7.371 -4.025 10.627 995 HD1 TYR 129 HD1 TYR 129 -8.466 -2.402 9.055 996 HD2 TYR 129 HD2 TYR 129 -4.920 -1.444 11.248 997 HE1 TYR 129 HE1 TYR 129 -7.832 -0.842 7.287 998 HE2 TYR 129 HE2 TYR 129 -4.246 0.107 9.460 999 HH TYR 129 HH TYR 129 -6.225 0.392 6.470 1000 H LYS 130 H LYS 130 -10.249 -3.903 11.087 1001 HA LYS 130 HA LYS 130 -10.370 -6.442 12.842 1002 HB2 LYS 130 1HB LYS 130 -12.492 -4.832 11.280 1003 HB3 LYS 130 2HB LYS 130 -12.827 -6.467 11.751 1004 HG2 LYS 130 1HG LYS 130 -11.779 -4.574 13.932 1005 HG3 LYS 130 2HG LYS 130 -13.359 -4.251 13.289 1006 HD2 LYS 130 1HD LYS 130 -13.390 -5.516 15.362 1007 HD3 LYS 130 2HD LYS 130 -14.319 -6.273 14.098 1008 HE2 LYS 130 1HE LYS 130 -11.429 -7.220 14.723 1009 HE3 LYS 130 2HE LYS 130 -12.751 -7.679 15.763 1010 HZ1 LYS 130 3HZ LYS 130 -12.353 -9.373 13.981 1011 HZ2 LYS 130 1HZ LYS 130 -13.894 -8.756 13.835 1012 HZ3 LYS 130 2HZ LYS 130 -12.688 -8.285 12.803 1013 H ARG 131 H ARG 131 -9.952 -8.375 11.948 1014 HA ARG 131 HA ARG 131 -9.033 -8.513 9.111 1015 HB2 ARG 131 1HB ARG 131 -7.958 -9.683 11.125 1016 HB3 ARG 131 2HB ARG 131 -9.362 -10.728 11.229 1017 HG2 ARG 131 1HG ARG 131 -8.848 -11.414 8.735 1018 HG3 ARG 131 2HG ARG 131 -7.332 -10.521 8.890 1019 HD2 ARG 131 1HD ARG 131 -6.626 -11.991 10.813 1020 HD3 ARG 131 2HD ARG 131 -8.213 -12.809 10.788 1021 HE ARG 131 HE ARG 131 -6.940 -12.954 8.101 1022 HH11 ARG 131 1HH1 ARG 131 -6.704 -14.415 11.252 1023 HH12 ARG 131 2HH1 ARG 131 -6.058 -15.972 10.532 1024 HH21 ARG 131 1HH2 ARG 131 -6.180 -14.606 7.376 1025 HH22 ARG 131 2HH2 ARG 131 -5.623 -16.006 8.417 1026 H LEU 132 H LEU 132 -10.365 -8.805 7.502 1027 HA LEU 132 HA LEU 132 -12.973 -10.362 7.844 1028 HB2 LEU 132 1HB LEU 132 -12.213 -8.161 5.867 1029 HB3 LEU 132 2HB LEU 132 -13.775 -8.990 5.925 1030 HG LEU 132 HG LEU 132 -12.533 -7.065 7.969 1031 HD11 LEU 132 1HD1 LEU 132 -14.521 -5.655 7.322 1032 HD12 LEU 132 2HD1 LEU 132 -13.566 -6.094 5.886 1033 HD13 LEU 132 3HD1 LEU 132 -15.099 -6.934 6.230 1034 HD21 LEU 132 3HD2 LEU 132 -13.755 -8.703 9.352 1035 HD22 LEU 132 1HD2 LEU 132 -14.704 -7.215 9.271 1036 HD23 LEU 132 2HD2 LEU 132 -15.193 -8.625 8.300 1037 H SER 133 H SER 133 -13.345 -12.024 6.669 1038 HA SER 133 HA SER 133 -11.261 -13.050 4.667 1039 HB2 SER 133 1HB SER 133 -12.079 -15.299 5.201 1040 HB3 SER 133 2HB SER 133 -11.625 -14.439 6.675 1041 HG SER 133 HG SER 133 -13.636 -15.529 6.872 1042 HXT SER 133 HXT SER 133 -14.146 -13.738 3.967
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