NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
562857 | 2m17 | 18844 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 2.779 -0.834 -1.209 3 HB2 MET 1 2HB MET 1 0.296 0.462 -2.305 4 HB3 MET 1 3HB MET 1 1.680 0.127 -3.337 5 HG2 MET 1 2HG MET 1 1.345 -2.269 -2.114 6 HG3 MET 1 3HG MET 1 -0.317 -1.690 -2.205 7 HE1 MET 1 3HE MET 1 0.152 -4.422 -4.431 8 HE2 MET 1 1HE MET 1 1.783 -4.054 -4.991 9 HE3 MET 1 2HE MET 1 1.418 -4.031 -3.266 10 H ALA 2 H ALA 2 3.648 0.660 -3.130 11 HA ALA 2 HA ALA 2 4.885 2.898 -1.805 12 HB1 ALA 2 1HB ALA 2 5.509 1.207 -3.998 13 HB2 ALA 2 2HB ALA 2 5.525 2.876 -4.568 14 HB3 ALA 2 3HB ALA 2 6.533 2.402 -3.202 15 H LEU 3 H LEU 3 4.837 5.072 -2.515 16 HA LEU 3 HA LEU 3 2.367 5.780 -3.954 17 HB2 LEU 3 2HB LEU 3 3.626 6.785 -1.534 18 HB3 LEU 3 3HB LEU 3 3.255 8.069 -2.683 19 HG LEU 3 HG LEU 3 1.282 6.101 -1.522 20 HD11 LEU 3 1HD1 LEU 3 0.405 7.963 -0.292 21 HD12 LEU 3 2HD1 LEU 3 1.548 9.066 -1.057 22 HD13 LEU 3 3HD1 LEU 3 2.130 7.824 0.051 23 HD21 LEU 3 3HD2 LEU 3 0.133 6.569 -3.387 24 HD22 LEU 3 1HD2 LEU 3 1.166 7.939 -3.797 25 HD23 LEU 3 2HD2 LEU 3 -0.148 8.141 -2.637 26 HA PRO 4 HA PRO 4 5.314 7.138 -7.063 27 HB2 PRO 4 2HB PRO 4 3.433 7.625 -8.960 28 HB3 PRO 4 3HB PRO 4 4.030 6.003 -8.593 29 HG2 PRO 4 2HG PRO 4 1.517 7.347 -7.680 30 HG3 PRO 4 3HG PRO 4 1.753 5.684 -8.248 31 HD2 PRO 4 2HD PRO 4 1.567 6.313 -5.621 32 HD3 PRO 4 3HD PRO 4 2.566 4.971 -6.213 33 H ILE 5 H ILE 5 5.775 9.131 -8.095 34 HA ILE 5 HA ILE 5 4.050 11.409 -7.572 35 HB ILE 5 HB ILE 5 6.879 11.327 -6.517 36 HG12 ILE 5 2HG1 ILE 5 4.207 11.431 -5.104 37 HG13 ILE 5 3HG1 ILE 5 5.368 10.109 -5.062 38 HG21 ILE 5 1HG2 ILE 5 6.275 13.505 -7.456 39 HG22 ILE 5 2HG2 ILE 5 4.839 13.546 -6.434 40 HG23 ILE 5 3HG2 ILE 5 6.444 13.581 -5.702 41 HD11 ILE 5 3HD1 ILE 5 6.163 11.013 -3.206 42 HD12 ILE 5 1HD1 ILE 5 6.804 12.318 -4.204 43 HD13 ILE 5 2HD1 ILE 5 5.222 12.486 -3.443 44 H ILE 6 H ILE 6 4.240 12.978 -9.087 45 HA ILE 6 HA ILE 6 6.106 12.467 -11.276 46 HB ILE 6 HB ILE 6 3.605 14.114 -11.046 47 HG12 ILE 6 2HG1 ILE 6 4.051 12.379 -13.368 48 HG13 ILE 6 3HG1 ILE 6 4.076 11.519 -11.833 49 HG21 ILE 6 1HG2 ILE 6 4.050 14.786 -13.438 50 HG22 ILE 6 2HG2 ILE 6 5.043 15.581 -12.217 51 HG23 ILE 6 3HG2 ILE 6 5.716 14.268 -13.182 52 HD11 ILE 6 3HD1 ILE 6 1.872 11.536 -11.781 53 HD12 ILE 6 1HD1 ILE 6 1.867 13.299 -11.822 54 HD13 ILE 6 2HD1 ILE 6 1.847 12.382 -13.328 55 H VAL 7 H VAL 7 7.643 13.896 -11.958 56 HA VAL 7 HA VAL 7 7.969 16.367 -10.385 57 HB VAL 7 HB VAL 7 9.609 14.721 -9.625 58 HG11 VAL 7 1HG1 VAL 7 10.727 13.347 -10.979 59 HG12 VAL 7 2HG1 VAL 7 9.659 13.908 -12.267 60 HG13 VAL 7 3HG1 VAL 7 11.233 14.669 -12.030 61 HG21 VAL 7 3HG2 VAL 7 10.246 17.284 -10.795 62 HG22 VAL 7 1HG2 VAL 7 10.820 16.558 -9.293 63 HG23 VAL 7 2HG2 VAL 7 11.642 16.206 -10.814 64 H LYS 8 H LYS 8 7.999 18.133 -11.597 65 HA LYS 8 HA LYS 8 8.636 17.867 -14.458 66 HB2 LYS 8 2HB LYS 8 7.325 19.913 -14.785 67 HB3 LYS 8 3HB LYS 8 6.369 18.660 -14.004 68 HG2 LYS 8 2HG LYS 8 7.244 19.912 -11.824 69 HG3 LYS 8 3HG LYS 8 7.309 21.262 -12.959 70 HD2 LYS 8 2HD LYS 8 4.872 19.524 -12.673 71 HD3 LYS 8 3HD LYS 8 5.140 20.943 -11.658 72 HE2 LYS 8 2HE LYS 8 5.520 21.431 -14.518 73 HE3 LYS 8 3HE LYS 8 3.882 20.943 -14.087 74 HZ1 LYS 8 3HZ LYS 8 5.349 23.364 -13.371 75 HZ2 LYS 8 1HZ LYS 8 4.284 22.736 -12.215 76 HZ3 LYS 8 2HZ LYS 8 3.712 23.163 -13.748 77 H TRP 9 H TRP 9 10.531 18.635 -15.091 78 HA TRP 9 HA TRP 9 11.722 20.865 -13.575 79 HB2 TRP 9 2HB TRP 9 13.147 19.083 -13.086 80 HB3 TRP 9 3HB TRP 9 12.967 18.372 -14.688 81 HD1 TRP 9 HD1 TRP 9 15.173 18.514 -15.956 82 HE1 TRP 9 HE1 TRP 9 17.075 20.233 -16.183 83 HE3 TRP 9 HE3 TRP 9 13.423 22.088 -12.747 84 HZ2 TRP 9 HZ2 TRP 9 17.746 22.768 -15.138 85 HZ3 TRP 9 HZ3 TRP 9 14.755 24.130 -12.416 86 HH2 TRP 9 HH2 TRP 9 16.872 24.461 -13.588 87 H GLY 10 H GLY 10 11.243 22.583 -14.842 88 HA2 GLY 10 2HA GLY 10 11.971 24.018 -16.580 89 HA3 GLY 10 3HA GLY 10 12.445 22.607 -17.513 90 H GLY 11 H GLY 11 10.785 21.352 -18.553 91 HA2 GLY 11 2HA GLY 11 8.128 22.548 -18.698 92 HA3 GLY 11 3HA GLY 11 9.075 22.567 -20.178 93 H GLN 12 H GLN 12 9.546 19.911 -18.043 94 HA GLN 12 HA GLN 12 7.783 18.233 -19.697 95 HB2 GLN 12 2HB GLN 12 10.682 17.909 -19.086 96 HB3 GLN 12 3HB GLN 12 9.691 16.459 -19.178 97 HG2 GLN 12 2HG GLN 12 9.598 18.477 -21.376 98 HG3 GLN 12 3HG GLN 12 10.922 17.316 -21.287 99 HE21 GLN 12 1HE2 GLN 12 10.589 15.259 -21.914 100 HE22 GLN 12 2HE2 GLN 12 9.083 14.649 -22.503 101 H GLU 13 H GLU 13 7.627 15.950 -18.619 102 HA GLU 13 HA GLU 13 7.427 16.247 -15.702 103 HB2 GLU 13 2HB GLU 13 5.289 15.184 -17.553 104 HB3 GLU 13 3HB GLU 13 5.256 14.995 -15.806 105 HG2 GLU 13 2HG GLU 13 5.106 17.364 -15.489 106 HG3 GLU 13 3HG GLU 13 5.341 17.652 -17.212 107 H TYR 14 H TYR 14 7.905 14.448 -14.519 108 HA TYR 14 HA TYR 14 8.416 11.944 -15.961 109 HB2 TYR 14 2HB TYR 14 10.328 13.243 -14.011 110 HB3 TYR 14 3HB TYR 14 10.528 11.644 -14.718 111 HD1 TYR 14 HD1 TYR 14 10.247 15.244 -15.614 112 HD2 TYR 14 HD2 TYR 14 11.628 11.388 -16.765 113 HE1 TYR 14 HE1 TYR 14 11.428 16.245 -17.525 114 HE2 TYR 14 HE2 TYR 14 12.814 12.378 -18.679 115 HH TYR 14 HH TYR 14 13.624 15.410 -18.973 116 H SER 15 H SER 15 7.288 10.378 -15.041 117 HA SER 15 HA SER 15 6.241 10.676 -12.366 118 HB2 SER 15 2HB SER 15 4.941 8.714 -12.831 119 HB3 SER 15 3HB SER 15 4.933 9.701 -14.293 120 HG SER 15 HG SER 15 5.453 7.763 -15.066 121 H VAL 16 H VAL 16 6.925 9.689 -10.555 122 HA VAL 16 HA VAL 16 9.383 8.113 -10.731 123 HB VAL 16 HB VAL 16 8.032 9.326 -8.315 124 HG11 VAL 16 1HG1 VAL 16 10.376 8.894 -7.338 125 HG12 VAL 16 2HG1 VAL 16 9.261 7.533 -7.478 126 HG13 VAL 16 3HG1 VAL 16 10.553 7.742 -8.661 127 HG21 VAL 16 3HG2 VAL 16 10.532 10.503 -8.758 128 HG22 VAL 16 1HG2 VAL 16 9.748 10.443 -10.337 129 HG23 VAL 16 2HG2 VAL 16 8.946 11.241 -8.984 130 H THR 17 H THR 17 9.474 5.999 -10.289 131 HA THR 17 HA THR 17 7.277 4.730 -8.828 132 HB THR 17 HB THR 17 7.487 2.808 -10.581 133 HG1 THR 17 HG1 THR 17 8.133 5.032 -12.234 134 HG21 THR 17 3HG2 THR 17 5.666 4.816 -10.166 135 HG22 THR 17 1HG2 THR 17 5.442 3.447 -11.255 136 HG23 THR 17 2HG2 THR 17 6.032 4.986 -11.883 137 H THR 18 H THR 18 8.621 4.305 -7.100 138 HA THR 18 HA THR 18 10.024 1.928 -7.038 139 HB THR 18 HB THR 18 11.772 2.703 -8.392 140 HG1 THR 18 HG1 THR 18 13.207 2.106 -6.967 141 HG21 THR 18 3HG2 THR 18 11.132 5.288 -7.184 142 HG22 THR 18 1HG2 THR 18 11.794 4.916 -8.775 143 HG23 THR 18 2HG2 THR 18 12.862 5.007 -7.374 144 H LEU 19 H LEU 19 9.583 5.142 -5.775 145 HA LEU 19 HA LEU 19 10.589 4.451 -3.148 146 HB2 LEU 19 2HB LEU 19 9.803 6.874 -4.561 147 HB3 LEU 19 3HB LEU 19 9.236 6.838 -2.893 148 HG LEU 19 HG LEU 19 11.402 8.008 -3.198 149 HD11 LEU 19 1HD1 LEU 19 12.610 6.654 -1.402 150 HD12 LEU 19 2HD1 LEU 19 11.226 5.563 -1.468 151 HD13 LEU 19 3HD1 LEU 19 10.996 7.254 -1.022 152 HD21 LEU 19 3HD2 LEU 19 13.408 6.709 -3.646 153 HD22 LEU 19 1HD2 LEU 19 12.285 6.599 -5.002 154 HD23 LEU 19 2HD2 LEU 19 12.436 5.254 -3.870 155 H SER 20 H SER 20 9.332 4.396 -1.247 156 HA SER 20 HA SER 20 6.435 4.089 -1.645 157 HB2 SER 20 2HB SER 20 7.055 2.299 0.389 158 HB3 SER 20 3HB SER 20 6.661 1.882 -1.279 159 HG SER 20 HG SER 20 8.672 0.994 -0.539 160 H GLU 21 H GLU 21 5.257 4.074 0.506 161 HA GLU 21 HA GLU 21 5.764 6.456 1.875 162 HB2 GLU 21 2HB GLU 21 4.186 4.122 2.958 163 HB3 GLU 21 3HB GLU 21 3.995 5.821 3.367 164 HG2 GLU 21 2HG GLU 21 3.276 6.266 1.051 165 HG3 GLU 21 3HG GLU 21 3.386 4.539 0.714 166 H ASP 22 H ASP 22 7.065 3.305 2.303 167 HA ASP 22 HA ASP 22 7.793 3.503 5.039 168 HB2 ASP 22 2HB ASP 22 7.716 1.432 3.420 169 HB3 ASP 22 3HB ASP 22 9.389 1.878 3.097 170 H ASP 23 H ASP 23 8.904 5.121 2.319 171 HA ASP 23 HA ASP 23 11.567 5.576 3.468 172 HB2 ASP 23 2HB ASP 23 10.620 6.537 0.773 173 HB3 ASP 23 3HB ASP 23 12.276 6.319 1.334 174 H THR 24 H THR 24 11.800 8.094 1.939 175 HA THR 24 HA THR 24 9.986 9.838 3.455 176 HB THR 24 HB THR 24 12.329 11.285 3.439 177 HG1 THR 24 HG1 THR 24 13.912 9.893 3.344 178 HG21 THR 24 3HG2 THR 24 10.486 10.481 5.270 179 HG22 THR 24 1HG2 THR 24 11.946 11.389 5.660 180 HG23 THR 24 2HG2 THR 24 11.925 9.635 5.839 181 H VAL 25 H VAL 25 10.157 12.154 2.674 182 HA VAL 25 HA VAL 25 9.646 12.252 -0.092 183 HB VAL 25 HB VAL 25 10.231 14.508 1.830 184 HG11 VAL 25 1HG1 VAL 25 9.369 14.483 -1.035 185 HG12 VAL 25 2HG1 VAL 25 8.867 15.790 0.039 186 HG13 VAL 25 3HG1 VAL 25 10.582 15.487 -0.241 187 HG21 VAL 25 3HG2 VAL 25 7.699 14.776 1.617 188 HG22 VAL 25 1HG2 VAL 25 7.706 13.147 0.941 189 HG23 VAL 25 2HG2 VAL 25 8.291 13.424 2.582 190 H LEU 26 H LEU 26 12.468 13.223 1.818 191 HA LEU 26 HA LEU 26 13.948 14.380 -0.263 192 HB2 LEU 26 2HB LEU 26 15.581 14.614 1.265 193 HB3 LEU 26 3HB LEU 26 14.301 14.151 2.384 194 HG LEU 26 HG LEU 26 15.241 11.726 1.895 195 HD11 LEU 26 1HD1 LEU 26 16.932 12.971 0.290 196 HD12 LEU 26 2HD1 LEU 26 17.412 11.558 1.228 197 HD13 LEU 26 3HD1 LEU 26 17.831 13.175 1.793 198 HD21 LEU 26 3HD2 LEU 26 16.751 13.582 3.720 199 HD22 LEU 26 1HD2 LEU 26 16.442 11.858 3.929 200 HD23 LEU 26 2HD2 LEU 26 15.116 13.014 4.063 201 H ASP 27 H ASP 27 13.426 11.060 0.638 202 HA ASP 27 HA ASP 27 15.599 9.959 -0.840 203 HB2 ASP 27 2HB ASP 27 13.926 8.960 1.038 204 HB3 ASP 27 3HB ASP 27 13.192 8.290 -0.417 205 H LEU 28 H LEU 28 12.288 10.805 -1.589 206 HA LEU 28 HA LEU 28 12.300 9.473 -4.145 207 HB2 LEU 28 2HB LEU 28 10.297 10.047 -2.572 208 HB3 LEU 28 3HB LEU 28 10.345 11.604 -3.396 209 HG LEU 28 HG LEU 28 10.301 9.275 -5.184 210 HD11 LEU 28 1HD1 LEU 28 8.792 8.760 -3.117 211 HD12 LEU 28 2HD1 LEU 28 8.188 8.485 -4.750 212 HD13 LEU 28 3HD1 LEU 28 7.709 9.933 -3.866 213 HD21 LEU 28 3HD2 LEU 28 10.022 11.849 -5.605 214 HD22 LEU 28 1HD2 LEU 28 8.342 11.520 -5.181 215 HD23 LEU 28 2HD2 LEU 28 9.090 10.677 -6.538 216 H LYS 29 H LYS 29 12.369 12.851 -3.033 217 HA LYS 29 HA LYS 29 12.556 14.031 -5.576 218 HB2 LYS 29 2HB LYS 29 13.031 14.886 -2.782 219 HB3 LYS 29 3HB LYS 29 13.841 15.832 -4.023 220 HG2 LYS 29 2HG LYS 29 11.904 16.993 -3.919 221 HG3 LYS 29 3HG LYS 29 11.413 15.776 -5.100 222 HD2 LYS 29 2HD LYS 29 11.048 15.078 -2.249 223 HD3 LYS 29 3HD LYS 29 9.996 16.341 -2.893 224 HE2 LYS 29 2HE LYS 29 10.121 14.217 -4.783 225 HE3 LYS 29 3HE LYS 29 9.777 13.529 -3.197 226 HZ1 LYS 29 3HZ LYS 29 7.900 14.501 -4.791 227 HZ2 LYS 29 1HZ LYS 29 8.269 15.907 -3.926 228 HZ3 LYS 29 2HZ LYS 29 7.768 14.517 -3.104 229 H GLN 30 H GLN 30 15.136 13.406 -3.192 230 HA GLN 30 HA GLN 30 17.279 14.186 -4.795 231 HB2 GLN 30 2HB GLN 30 18.654 13.309 -3.162 232 HB3 GLN 30 3HB GLN 30 17.158 13.527 -2.263 233 HG2 GLN 30 2HG GLN 30 17.608 11.419 -1.613 234 HG3 GLN 30 3HG GLN 30 16.766 11.033 -3.113 235 HE21 GLN 30 1HE2 GLN 30 17.932 9.035 -3.066 236 HE22 GLN 30 2HE2 GLN 30 19.562 8.970 -3.634 237 H PHE 31 H PHE 31 15.324 11.358 -4.912 238 HA PHE 31 HA PHE 31 17.219 9.721 -6.320 239 HB2 PHE 31 2HB PHE 31 15.565 8.578 -5.030 240 HB3 PHE 31 3HB PHE 31 14.255 9.459 -5.809 241 HD1 PHE 31 HD1 PHE 31 13.527 8.882 -8.052 242 HD2 PHE 31 HD2 PHE 31 16.626 6.708 -6.107 243 HE1 PHE 31 HE1 PHE 31 13.299 7.079 -9.711 244 HE2 PHE 31 HE2 PHE 31 16.404 4.902 -7.762 245 HZ PHE 31 HZ PHE 31 14.739 5.086 -9.568 246 H LEU 32 H LEU 32 14.180 11.334 -7.259 247 HA LEU 32 HA LEU 32 14.495 10.814 -10.028 248 HB2 LEU 32 2HB LEU 32 12.729 12.573 -10.283 249 HB3 LEU 32 3HB LEU 32 12.310 11.224 -9.229 250 HG LEU 32 HG LEU 32 13.219 12.962 -7.393 251 HD11 LEU 32 1HD1 LEU 32 13.578 14.956 -8.331 252 HD12 LEU 32 2HD1 LEU 32 11.821 15.092 -8.388 253 HD13 LEU 32 3HD1 LEU 32 12.708 14.526 -9.803 254 HD21 LEU 32 3HD2 LEU 32 10.447 12.855 -8.577 255 HD22 LEU 32 1HD2 LEU 32 10.852 13.556 -7.010 256 HD23 LEU 32 2HD2 LEU 32 11.089 11.831 -7.291 257 H LYS 33 H LYS 33 15.234 13.608 -7.989 258 HA LYS 33 HA LYS 33 15.943 15.440 -9.947 259 HB2 LYS 33 2HB LYS 33 16.154 16.612 -8.054 260 HB3 LYS 33 3HB LYS 33 16.314 15.144 -7.098 261 HG2 LYS 33 2HG LYS 33 18.640 16.182 -8.660 262 HG3 LYS 33 3HG LYS 33 18.225 16.886 -7.095 263 HD2 LYS 33 2HD LYS 33 18.874 15.044 -5.947 264 HD3 LYS 33 3HD LYS 33 18.336 13.936 -7.211 265 HE2 LYS 33 2HE LYS 33 20.514 13.665 -7.647 266 HE3 LYS 33 3HE LYS 33 20.411 15.243 -8.425 267 HZ1 LYS 33 3HZ LYS 33 21.445 14.570 -5.747 268 HZ2 LYS 33 1HZ LYS 33 20.903 16.136 -6.086 269 HZ3 LYS 33 2HZ LYS 33 22.179 15.473 -6.976 270 H THR 34 H THR 34 17.647 12.644 -8.793 271 HA THR 34 HA THR 34 20.188 13.401 -9.914 272 HB THR 34 HB THR 34 19.484 11.604 -7.995 273 HG1 THR 34 HG1 THR 34 21.819 11.648 -9.632 274 HG21 THR 34 3HG2 THR 34 20.337 9.894 -10.318 275 HG22 THR 34 1HG2 THR 34 18.641 10.114 -9.892 276 HG23 THR 34 2HG2 THR 34 19.753 9.383 -8.735 277 H LEU 35 H LEU 35 17.336 11.804 -11.020 278 HA LEU 35 HA LEU 35 18.570 10.419 -13.207 279 HB2 LEU 35 2HB LEU 35 15.665 11.146 -13.036 280 HB3 LEU 35 3HB LEU 35 16.408 9.760 -13.833 281 HG LEU 35 HG LEU 35 16.189 10.163 -10.850 282 HD11 LEU 35 1HD1 LEU 35 14.131 9.564 -12.427 283 HD12 LEU 35 2HD1 LEU 35 14.344 8.845 -10.831 284 HD13 LEU 35 3HD1 LEU 35 14.828 7.951 -12.273 285 HD21 LEU 35 3HD2 LEU 35 16.756 7.488 -11.770 286 HD22 LEU 35 1HD2 LEU 35 17.609 8.474 -10.584 287 HD23 LEU 35 2HD2 LEU 35 18.002 8.620 -12.297 288 H THR 36 H THR 36 16.300 13.172 -13.092 289 HA THR 36 HA THR 36 17.682 14.311 -15.421 290 HB THR 36 HB THR 36 15.735 13.258 -16.365 291 HG1 THR 36 HG1 THR 36 14.896 15.939 -16.134 292 HG21 THR 36 3HG2 THR 36 14.006 14.853 -14.482 293 HG22 THR 36 1HG2 THR 36 14.476 13.183 -14.170 294 HG23 THR 36 2HG2 THR 36 13.512 13.576 -15.593 295 H GLY 37 H GLY 37 15.828 14.742 -12.507 296 HA2 GLY 37 2HA GLY 37 15.384 17.522 -12.668 297 HA3 GLY 37 3HA GLY 37 15.434 16.577 -11.187 298 H VAL 38 H VAL 38 16.367 18.879 -10.689 299 HA VAL 38 HA VAL 38 19.289 18.792 -11.070 300 HB VAL 38 HB VAL 38 18.595 20.818 -12.005 301 HG11 VAL 38 1HG1 VAL 38 16.445 21.327 -11.605 302 HG12 VAL 38 2HG1 VAL 38 16.492 20.677 -9.965 303 HG13 VAL 38 3HG1 VAL 38 17.097 22.302 -10.288 304 HG21 VAL 38 3HG2 VAL 38 19.433 22.550 -10.512 305 HG22 VAL 38 1HG2 VAL 38 19.253 21.466 -9.133 306 HG23 VAL 38 2HG2 VAL 38 20.427 21.098 -10.396 307 H LEU 39 H LEU 39 20.620 18.827 -9.327 308 HA LEU 39 HA LEU 39 19.752 17.894 -6.864 309 HB2 LEU 39 2HB LEU 39 22.018 18.924 -6.077 310 HB3 LEU 39 3HB LEU 39 21.989 17.555 -7.187 311 HG LEU 39 HG LEU 39 23.636 19.461 -7.655 312 HD11 LEU 39 1HD1 LEU 39 23.755 18.457 -9.625 313 HD12 LEU 39 2HD1 LEU 39 22.288 19.274 -10.164 314 HD13 LEU 39 3HD1 LEU 39 22.177 17.726 -9.327 315 HD21 LEU 39 3HD2 LEU 39 22.731 21.332 -8.938 316 HD22 LEU 39 1HD2 LEU 39 22.081 21.307 -7.299 317 HD23 LEU 39 2HD2 LEU 39 21.093 20.745 -8.647 318 HA PRO 40 HA PRO 40 18.139 21.357 -4.695 319 HB2 PRO 40 2HB PRO 40 18.777 20.684 -2.144 320 HB3 PRO 40 3HB PRO 40 17.503 19.872 -3.062 321 HG2 PRO 40 2HG PRO 40 20.326 19.007 -2.565 322 HG3 PRO 40 3HG PRO 40 18.836 18.046 -2.515 323 HD2 PRO 40 2HD PRO 40 20.516 18.019 -4.638 324 HD3 PRO 40 3HD PRO 40 18.761 17.811 -4.807 325 H GLU 41 H GLU 41 21.498 20.509 -4.412 326 HA GLU 41 HA GLU 41 22.467 22.516 -2.764 327 HB2 GLU 41 2HB GLU 41 23.914 20.743 -3.500 328 HB3 GLU 41 3HB GLU 41 23.722 21.215 -5.182 329 HG2 GLU 41 2HG GLU 41 25.277 22.819 -5.046 330 HG3 GLU 41 3HG GLU 41 24.765 23.323 -3.436 331 H ARG 42 H ARG 42 21.653 22.624 -6.193 332 HA ARG 42 HA ARG 42 22.314 25.485 -6.247 333 HB2 ARG 42 2HB ARG 42 22.168 23.351 -8.320 334 HB3 ARG 42 3HB ARG 42 21.781 24.996 -8.808 335 HG2 ARG 42 2HG ARG 42 23.970 25.214 -9.158 336 HG3 ARG 42 3HG ARG 42 24.099 25.342 -7.403 337 HD2 ARG 42 2HD ARG 42 24.320 22.829 -7.359 338 HD3 ARG 42 3HD ARG 42 24.479 22.895 -9.114 339 HE ARG 42 HE ARG 42 26.369 24.626 -8.287 340 HH11 ARG 42 1HH1 ARG 42 25.607 21.352 -7.381 341 HH12 ARG 42 2HH1 ARG 42 27.244 20.942 -6.987 342 HH21 ARG 42 1HH2 ARG 42 28.527 24.098 -7.771 343 HH22 ARG 42 2HH2 ARG 42 28.904 22.505 -7.208 344 H GLN 43 H GLN 43 19.726 23.178 -6.928 345 HA GLN 43 HA GLN 43 17.854 25.381 -7.376 346 HB2 GLN 43 2HB GLN 43 16.478 23.893 -8.473 347 HB3 GLN 43 3HB GLN 43 18.056 23.194 -8.811 348 HG2 GLN 43 2HG GLN 43 16.880 21.338 -8.191 349 HG3 GLN 43 3HG GLN 43 17.587 21.813 -6.648 350 HE21 GLN 43 1HE2 GLN 43 15.821 20.505 -5.789 351 HE22 GLN 43 2HE2 GLN 43 14.274 21.239 -5.562 352 H LYS 44 H LYS 44 15.784 25.388 -6.281 353 HA LYS 44 HA LYS 44 15.843 24.078 -3.645 354 HB2 LYS 44 2HB LYS 44 14.842 26.116 -2.671 355 HB3 LYS 44 3HB LYS 44 16.447 26.408 -3.329 356 HG2 LYS 44 2HG LYS 44 15.359 28.232 -4.137 357 HG3 LYS 44 3HG LYS 44 15.070 27.106 -5.466 358 HD2 LYS 44 2HD LYS 44 12.879 27.342 -5.183 359 HD3 LYS 44 3HD LYS 44 13.024 26.722 -3.537 360 HE2 LYS 44 2HE LYS 44 13.013 28.802 -2.607 361 HE3 LYS 44 3HE LYS 44 13.779 29.551 -4.007 362 HZ1 LYS 44 3HZ LYS 44 11.436 30.208 -3.692 363 HZ2 LYS 44 1HZ LYS 44 10.967 28.603 -3.951 364 HZ3 LYS 44 2HZ LYS 44 11.718 29.474 -5.191 365 H LEU 45 H LEU 45 13.899 23.344 -2.850 366 HA LEU 45 HA LEU 45 11.880 22.734 -4.741 367 HB2 LEU 45 2HB LEU 45 12.059 22.450 -1.756 368 HB3 LEU 45 3HB LEU 45 10.621 21.973 -2.657 369 HG LEU 45 HG LEU 45 11.928 20.019 -2.223 370 HD11 LEU 45 1HD1 LEU 45 12.198 19.160 -4.419 371 HD12 LEU 45 2HD1 LEU 45 12.448 20.771 -5.090 372 HD13 LEU 45 3HD1 LEU 45 10.861 20.309 -4.476 373 HD21 LEU 45 3HD2 LEU 45 14.076 21.252 -1.874 374 HD22 LEU 45 1HD2 LEU 45 14.243 21.338 -3.628 375 HD23 LEU 45 2HD2 LEU 45 14.225 19.770 -2.820 376 H LEU 46 H LEU 46 9.953 23.666 -5.168 377 HA LEU 46 HA LEU 46 9.521 26.354 -4.248 378 HB2 LEU 46 2HB LEU 46 8.087 24.521 -6.137 379 HB3 LEU 46 3HB LEU 46 7.381 26.061 -5.651 380 HG LEU 46 HG LEU 46 8.444 26.329 -7.783 381 HD11 LEU 46 1HD1 LEU 46 8.809 27.985 -5.727 382 HD12 LEU 46 2HD1 LEU 46 9.484 28.288 -7.327 383 HD13 LEU 46 3HD1 LEU 46 10.494 27.589 -6.062 384 HD21 LEU 46 3HD2 LEU 46 11.189 25.858 -6.899 385 HD22 LEU 46 1HD2 LEU 46 10.380 25.389 -8.395 386 HD23 LEU 46 2HD2 LEU 46 10.195 24.401 -6.946 387 H GLY 47 H GLY 47 7.274 23.581 -4.331 388 HA2 GLY 47 2HA GLY 47 5.983 24.666 -1.925 389 HA3 GLY 47 3HA GLY 47 5.268 23.512 -3.041 390 H LEU 48 H LEU 48 8.168 23.714 -0.971 391 HA LEU 48 HA LEU 48 8.448 20.962 -0.580 392 HB2 LEU 48 2HB LEU 48 9.850 21.541 1.329 393 HB3 LEU 48 3HB LEU 48 10.217 22.540 -0.076 394 HG LEU 48 HG LEU 48 8.582 24.229 1.118 395 HD11 LEU 48 1HD1 LEU 48 9.508 22.418 3.332 396 HD12 LEU 48 2HD1 LEU 48 7.863 22.919 2.944 397 HD13 LEU 48 3HD1 LEU 48 9.007 24.087 3.605 398 HD21 LEU 48 3HD2 LEU 48 10.974 24.569 0.576 399 HD22 LEU 48 1HD2 LEU 48 11.399 23.787 2.098 400 HD23 LEU 48 2HD2 LEU 48 10.497 25.303 2.108 401 H LYS 49 H LYS 49 6.154 23.145 0.688 402 HA LYS 49 HA LYS 49 5.370 21.203 2.760 403 HB2 LYS 49 2HB LYS 49 3.937 23.443 3.356 404 HB3 LYS 49 3HB LYS 49 5.489 23.031 4.073 405 HG2 LYS 49 2HG LYS 49 6.648 24.444 2.519 406 HG3 LYS 49 3HG LYS 49 5.157 24.753 1.626 407 HD2 LYS 49 2HD LYS 49 4.315 25.595 3.973 408 HD3 LYS 49 3HD LYS 49 6.042 25.796 4.276 409 HE2 LYS 49 2HE LYS 49 6.215 27.177 2.247 410 HE3 LYS 49 3HE LYS 49 4.479 27.000 1.992 411 HZ1 LYS 49 3HZ LYS 49 4.164 28.051 4.205 412 HZ2 LYS 49 1HZ LYS 49 4.866 29.075 3.055 413 HZ3 LYS 49 2HZ LYS 49 5.826 28.367 4.255 414 H VAL 50 H VAL 50 3.255 20.500 2.876 415 HA VAL 50 HA VAL 50 1.346 21.474 0.888 416 HB VAL 50 HB VAL 50 1.994 18.537 1.168 417 HG11 VAL 50 1HG1 VAL 50 -0.078 18.299 0.371 418 HG12 VAL 50 2HG1 VAL 50 -0.218 20.016 -0.010 419 HG13 VAL 50 3HG1 VAL 50 0.560 18.919 -1.151 420 HG21 VAL 50 3HG2 VAL 50 2.661 18.916 -1.312 421 HG22 VAL 50 1HG2 VAL 50 2.847 20.600 -0.822 422 HG23 VAL 50 2HG2 VAL 50 3.802 19.343 -0.036 423 H LYS 51 H LYS 51 -0.800 21.191 1.450 424 HA LYS 51 HA LYS 51 -2.567 21.063 2.880 425 HB2 LYS 51 2HB LYS 51 -1.090 18.586 3.791 426 HB3 LYS 51 3HB LYS 51 -2.761 18.966 4.188 427 HG2 LYS 51 2HG LYS 51 -2.716 19.153 1.444 428 HG3 LYS 51 3HG LYS 51 -1.631 17.801 1.778 429 HD2 LYS 51 2HD LYS 51 -3.298 16.487 2.564 430 HD3 LYS 51 3HD LYS 51 -4.160 17.840 3.301 431 HE2 LYS 51 2HE LYS 51 -5.103 18.480 1.215 432 HE3 LYS 51 3HE LYS 51 -4.047 17.382 0.328 433 HZ1 LYS 51 3HZ LYS 51 -6.585 16.867 1.405 434 HZ2 LYS 51 1HZ LYS 51 -5.466 15.876 2.197 435 HZ3 LYS 51 2HZ LYS 51 -5.592 15.829 0.511 436 H GLY 52 H GLY 52 -0.278 22.634 3.717 437 HA2 GLY 52 2HA GLY 52 0.058 23.982 5.581 438 HA3 GLY 52 3HA GLY 52 -1.012 22.932 6.498 439 H LYS 53 H LYS 53 0.875 20.725 5.247 440 HA LYS 53 HA LYS 53 2.532 20.544 7.603 441 HB2 LYS 53 2HB LYS 53 2.187 18.754 5.197 442 HB3 LYS 53 3HB LYS 53 3.304 18.398 6.508 443 HG2 LYS 53 2HG LYS 53 0.332 18.755 6.831 444 HG3 LYS 53 3HG LYS 53 1.161 17.202 6.707 445 HD2 LYS 53 2HD LYS 53 2.545 18.557 8.694 446 HD3 LYS 53 3HD LYS 53 0.853 18.965 8.990 447 HE2 LYS 53 2HE LYS 53 0.384 16.472 8.772 448 HE3 LYS 53 3HE LYS 53 2.129 16.245 8.881 449 HZ1 LYS 53 3HZ LYS 53 2.112 16.638 11.064 450 HZ2 LYS 53 1HZ LYS 53 0.443 16.368 10.985 451 HZ3 LYS 53 2HZ LYS 53 1.048 17.947 10.935 452 HA PRO 54 HA PRO 54 6.230 22.273 5.980 453 HB2 PRO 54 2HB PRO 54 8.087 20.834 7.339 454 HB3 PRO 54 3HB PRO 54 7.094 22.083 8.100 455 HG2 PRO 54 2HG PRO 54 6.741 19.110 8.119 456 HG3 PRO 54 3HG PRO 54 6.566 20.266 9.452 457 HD2 PRO 54 2HD PRO 54 4.442 19.261 8.107 458 HD3 PRO 54 3HD PRO 54 4.450 20.898 8.793 459 H ALA 55 H ALA 55 5.914 18.758 5.966 460 HA ALA 55 HA ALA 55 6.973 17.147 4.695 461 HB1 ALA 55 1HB ALA 55 5.839 19.148 2.771 462 HB2 ALA 55 2HB ALA 55 6.596 17.656 2.211 463 HB3 ALA 55 3HB ALA 55 5.182 17.587 3.264 464 H GLU 56 H GLU 56 8.929 18.783 5.761 465 HA GLU 56 HA GLU 56 10.678 19.969 3.928 466 HB2 GLU 56 2HB GLU 56 10.800 20.232 6.398 467 HB3 GLU 56 3HB GLU 56 11.406 18.586 6.516 468 HG2 GLU 56 2HG GLU 56 13.452 19.395 6.316 469 HG3 GLU 56 3HG GLU 56 13.061 19.844 4.657 470 H ASN 57 H ASN 57 11.490 16.961 5.631 471 HA ASN 57 HA ASN 57 11.977 15.529 3.185 472 HB2 ASN 57 2HB ASN 57 14.462 15.154 4.107 473 HB3 ASN 57 3HB ASN 57 14.063 16.437 2.967 474 HD21 ASN 57 1HD2 ASN 57 14.201 15.800 6.450 475 HD22 ASN 57 2HD2 ASN 57 14.794 17.363 6.886 476 H ASP 58 H ASP 58 12.351 15.738 6.678 477 HA ASP 58 HA ASP 58 12.794 12.980 7.138 478 HB2 ASP 58 2HB ASP 58 11.848 15.246 8.879 479 HB3 ASP 58 3HB ASP 58 11.941 13.597 9.492 480 H VAL 59 H VAL 59 10.092 14.584 6.019 481 HA VAL 59 HA VAL 59 8.083 12.979 7.315 482 HB VAL 59 HB VAL 59 7.741 14.653 4.830 483 HG11 VAL 59 1HG1 VAL 59 5.880 13.196 5.238 484 HG12 VAL 59 2HG1 VAL 59 5.824 13.668 6.938 485 HG13 VAL 59 3HG1 VAL 59 5.410 14.837 5.682 486 HG21 VAL 59 3HG2 VAL 59 8.206 15.453 7.611 487 HG22 VAL 59 1HG2 VAL 59 8.366 16.380 6.119 488 HG23 VAL 59 2HG2 VAL 59 6.782 16.184 6.870 489 H LYS 60 H LYS 60 6.878 11.317 6.420 490 HA LYS 60 HA LYS 60 8.225 9.838 4.305 491 HB2 LYS 60 2HB LYS 60 5.947 9.107 6.152 492 HB3 LYS 60 3HB LYS 60 6.597 8.031 4.922 493 HG2 LYS 60 2HG LYS 60 8.860 8.429 6.106 494 HG3 LYS 60 3HG LYS 60 7.865 8.988 7.453 495 HD2 LYS 60 2HD LYS 60 6.581 6.750 7.064 496 HD3 LYS 60 3HD LYS 60 8.064 6.262 6.241 497 HE2 LYS 60 2HE LYS 60 8.666 5.601 8.313 498 HE3 LYS 60 3HE LYS 60 9.102 7.300 8.494 499 HZ1 LYS 60 3HZ LYS 60 7.583 6.109 10.236 500 HZ2 LYS 60 1HZ LYS 60 6.359 6.487 9.130 501 HZ3 LYS 60 2HZ LYS 60 7.300 7.720 9.804 502 H LEU 61 H LEU 61 7.151 9.037 2.450 503 HA LEU 61 HA LEU 61 5.647 10.834 1.013 504 HB2 LEU 61 2HB LEU 61 5.392 7.863 0.647 505 HB3 LEU 61 3HB LEU 61 5.275 9.126 -0.576 506 HG LEU 61 HG LEU 61 7.780 8.217 0.838 507 HD11 LEU 61 1HD1 LEU 61 7.242 8.098 -2.103 508 HD12 LEU 61 2HD1 LEU 61 6.689 6.811 -1.031 509 HD13 LEU 61 3HD1 LEU 61 8.408 7.188 -1.142 510 HD21 LEU 61 3HD2 LEU 61 8.881 9.752 -0.837 511 HD22 LEU 61 1HD2 LEU 61 8.020 10.544 0.484 512 HD23 LEU 61 2HD2 LEU 61 7.285 10.451 -1.117 513 H GLY 62 H GLY 62 4.467 8.045 2.880 514 HA2 GLY 62 2HA GLY 62 1.709 8.642 2.323 515 HA3 GLY 62 3HA GLY 62 2.309 7.434 3.449 516 H ALA 63 H ALA 63 3.974 9.912 4.485 517 HA ALA 63 HA ALA 63 2.147 10.486 6.634 518 HB1 ALA 63 1HB ALA 63 3.990 11.767 7.587 519 HB2 ALA 63 2HB ALA 63 4.530 10.170 7.069 520 HB3 ALA 63 3HB ALA 63 4.901 11.588 6.087 521 H LEU 64 H LEU 64 3.330 12.123 3.776 522 HA LEU 64 HA LEU 64 2.291 14.696 4.519 523 HB2 LEU 64 2HB LEU 64 2.843 14.021 1.683 524 HB3 LEU 64 3HB LEU 64 3.220 15.484 2.589 525 HG LEU 64 HG LEU 64 4.757 13.253 3.575 526 HD11 LEU 64 1HD1 LEU 64 5.973 12.592 1.717 527 HD12 LEU 64 2HD1 LEU 64 5.414 13.949 0.740 528 HD13 LEU 64 3HD1 LEU 64 4.317 12.619 1.111 529 HD21 LEU 64 3HD2 LEU 64 5.654 15.757 2.162 530 HD22 LEU 64 1HD2 LEU 64 6.572 14.774 3.302 531 HD23 LEU 64 2HD2 LEU 64 5.181 15.704 3.861 532 H LYS 65 H LYS 65 1.066 11.868 2.974 533 HA LYS 65 HA LYS 65 -0.992 11.313 2.179 534 HB2 LYS 65 2HB LYS 65 -1.978 13.923 3.328 535 HB3 LYS 65 3HB LYS 65 -2.908 12.461 3.025 536 HG2 LYS 65 2HG LYS 65 -0.675 12.653 5.033 537 HG3 LYS 65 3HG LYS 65 -2.384 12.869 5.418 538 HD2 LYS 65 2HD LYS 65 -2.860 10.607 4.656 539 HD3 LYS 65 3HD LYS 65 -1.169 10.388 4.200 540 HE2 LYS 65 2HE LYS 65 -0.507 10.681 6.540 541 HE3 LYS 65 3HE LYS 65 -2.198 10.897 6.991 542 HZ1 LYS 65 3HZ LYS 65 -1.648 8.665 7.450 543 HZ2 LYS 65 1HZ LYS 65 -0.901 8.446 5.948 544 HZ3 LYS 65 2HZ LYS 65 -2.580 8.625 6.038 545 H LEU 66 H LEU 66 0.795 12.672 0.460 546 HA LEU 66 HA LEU 66 -0.809 14.560 -1.064 547 HB2 LEU 66 2HB LEU 66 2.005 13.864 -0.851 548 HB3 LEU 66 3HB LEU 66 1.478 14.035 -2.524 549 HG LEU 66 HG LEU 66 1.182 16.142 -0.385 550 HD11 LEU 66 1HD1 LEU 66 3.379 16.410 -0.749 551 HD12 LEU 66 2HD1 LEU 66 2.859 17.164 -2.256 552 HD13 LEU 66 3HD1 LEU 66 3.352 15.471 -2.241 553 HD21 LEU 66 3HD2 LEU 66 -0.117 15.797 -2.878 554 HD22 LEU 66 1HD2 LEU 66 1.024 17.132 -3.046 555 HD23 LEU 66 2HD2 LEU 66 -0.201 17.174 -1.777 556 H LYS 67 H LYS 67 -1.318 14.269 -3.285 557 HA LYS 67 HA LYS 67 -2.263 11.669 -3.915 558 HB2 LYS 67 2HB LYS 67 -2.376 14.346 -5.101 559 HB3 LYS 67 3HB LYS 67 -2.332 13.054 -6.294 560 HG2 LYS 67 2HG LYS 67 -4.443 12.486 -5.895 561 HG3 LYS 67 3HG LYS 67 -4.197 12.491 -4.147 562 HD2 LYS 67 2HD LYS 67 -4.563 14.852 -4.034 563 HD3 LYS 67 3HD LYS 67 -4.567 14.989 -5.794 564 HE2 LYS 67 2HE LYS 67 -6.573 13.469 -5.794 565 HE3 LYS 67 3HE LYS 67 -6.616 13.648 -4.041 566 HZ1 LYS 67 3HZ LYS 67 -7.255 15.823 -4.185 567 HZ2 LYS 67 1HZ LYS 67 -8.013 15.207 -5.567 568 HZ3 LYS 67 2HZ LYS 67 -6.560 16.061 -5.709 569 HA PRO 68 HA PRO 68 1.054 9.832 -6.123 570 HB2 PRO 68 2HB PRO 68 -0.220 8.608 -8.185 571 HB3 PRO 68 3HB PRO 68 -0.325 8.036 -6.516 572 HG2 PRO 68 2HG PRO 68 -2.266 9.699 -8.074 573 HG3 PRO 68 3HG PRO 68 -2.582 8.337 -6.984 574 HD2 PRO 68 2HD PRO 68 -2.898 10.916 -6.222 575 HD3 PRO 68 3HD PRO 68 -2.392 9.641 -5.094 576 H ASN 69 H ASN 69 -1.204 11.710 -8.098 577 HA ASN 69 HA ASN 69 0.657 12.016 -10.269 578 HB2 ASN 69 2HB ASN 69 -1.053 13.631 -11.139 579 HB3 ASN 69 3HB ASN 69 -1.689 12.023 -10.803 580 HD21 ASN 69 1HD2 ASN 69 -3.345 11.815 -9.438 581 HD22 ASN 69 2HD2 ASN 69 -4.032 13.101 -8.511 582 H THR 70 H THR 70 0.168 13.530 -7.273 583 HA THR 70 HA THR 70 0.596 16.146 -7.416 584 HB THR 70 HB THR 70 2.211 14.237 -5.719 585 HG1 THR 70 HG1 THR 70 0.418 14.180 -4.611 586 HG21 THR 70 3HG2 THR 70 3.478 16.202 -5.639 587 HG22 THR 70 1HG2 THR 70 2.413 16.336 -4.240 588 HG23 THR 70 2HG2 THR 70 2.052 17.236 -5.713 589 H LYS 71 H LYS 71 1.841 17.472 -8.546 590 HA LYS 71 HA LYS 71 4.274 16.451 -9.791 591 HB2 LYS 71 2HB LYS 71 3.062 19.183 -10.181 592 HB3 LYS 71 3HB LYS 71 4.166 18.325 -11.248 593 HG2 LYS 71 2HG LYS 71 2.357 17.742 -12.400 594 HG3 LYS 71 3HG LYS 71 2.018 16.617 -11.082 595 HD2 LYS 71 2HD LYS 71 0.721 18.418 -9.959 596 HD3 LYS 71 3HD LYS 71 0.972 19.432 -11.381 597 HE2 LYS 71 2HE LYS 71 -0.006 17.271 -12.592 598 HE3 LYS 71 3HE LYS 71 -0.762 17.052 -11.014 599 HZ1 LYS 71 3HZ LYS 71 -2.014 18.391 -12.769 600 HZ2 LYS 71 1HZ LYS 71 -0.919 19.636 -12.435 601 HZ3 LYS 71 2HZ LYS 71 -1.921 19.040 -11.210 602 H ILE 72 H ILE 72 6.301 17.392 -9.541 603 HA ILE 72 HA ILE 72 6.570 19.161 -7.199 604 HB ILE 72 HB ILE 72 8.616 17.182 -8.204 605 HG12 ILE 72 2HG1 ILE 72 6.696 15.985 -7.314 606 HG13 ILE 72 3HG1 ILE 72 8.036 15.875 -6.177 607 HG21 ILE 72 1HG2 ILE 72 9.808 18.826 -7.087 608 HG22 ILE 72 2HG2 ILE 72 8.520 19.108 -5.918 609 HG23 ILE 72 3HG2 ILE 72 9.498 17.644 -5.815 610 HD11 ILE 72 3HD1 ILE 72 6.110 16.262 -4.892 611 HD12 ILE 72 1HD1 ILE 72 6.970 17.801 -4.943 612 HD13 ILE 72 2HD1 ILE 72 5.555 17.546 -5.965 613 H MET 73 H MET 73 7.472 21.088 -7.521 614 HA MET 73 HA MET 73 8.692 21.633 -10.128 615 HB2 MET 73 2HB MET 73 7.665 23.512 -7.994 616 HB3 MET 73 3HB MET 73 8.375 24.021 -9.521 617 HG2 MET 73 2HG MET 73 6.569 23.263 -10.761 618 HG3 MET 73 3HG MET 73 6.012 22.194 -9.476 619 HE1 MET 73 3HE MET 73 5.336 26.638 -10.034 620 HE2 MET 73 1HE MET 73 6.446 25.564 -10.886 621 HE3 MET 73 2HE MET 73 4.712 25.457 -11.186 622 H MET 74 H MET 74 10.743 22.447 -10.354 623 HA MET 74 HA MET 74 12.335 22.816 -7.915 624 HB2 MET 74 2HB MET 74 13.291 21.263 -10.324 625 HB3 MET 74 3HB MET 74 14.166 21.522 -8.821 626 HG2 MET 74 2HG MET 74 12.908 20.000 -7.661 627 HG3 MET 74 3HG MET 74 11.517 20.175 -8.729 628 HE1 MET 74 3HE MET 74 14.281 16.779 -8.678 629 HE2 MET 74 1HE MET 74 14.369 18.194 -7.628 630 HE3 MET 74 2HE MET 74 12.892 17.233 -7.689 631 H MET 75 H MET 75 13.228 24.763 -7.943 632 HA MET 75 HA MET 75 13.779 26.025 -10.543 633 HB2 MET 75 2HB MET 75 13.290 27.253 -7.825 634 HB3 MET 75 3HB MET 75 13.753 28.168 -9.254 635 HG2 MET 75 2HG MET 75 11.443 26.458 -9.697 636 HG3 MET 75 3HG MET 75 11.193 27.649 -8.424 637 HE1 MET 75 3HE MET 75 12.016 30.395 -8.985 638 HE2 MET 75 1HE MET 75 10.776 30.909 -10.130 639 HE3 MET 75 2HE MET 75 10.356 29.826 -8.802 640 H GLY 76 H GLY 76 15.829 26.275 -11.137 641 HA2 GLY 76 2HA GLY 76 17.931 27.285 -9.742 642 HA3 GLY 76 3HA GLY 76 17.960 25.578 -9.325 643 H THR 77 H THR 77 20.016 25.406 -10.334 644 HA THR 77 HA THR 77 19.815 25.151 -13.255 645 HB THR 77 HB THR 77 21.027 27.199 -12.941 646 HG1 THR 77 HG1 THR 77 23.076 25.292 -13.363 647 HG21 THR 77 3HG2 THR 77 22.266 27.600 -11.135 648 HG22 THR 77 1HG2 THR 77 23.378 26.306 -11.579 649 HG23 THR 77 2HG2 THR 77 21.964 25.951 -10.585 650 H ARG 78 H ARG 78 21.016 23.489 -14.175 651 HA ARG 78 HA ARG 78 21.446 21.212 -12.580 652 HB2 ARG 78 2HB ARG 78 22.037 21.942 -15.417 653 HB3 ARG 78 3HB ARG 78 22.757 20.484 -14.750 654 HG2 ARG 78 2HG ARG 78 20.881 19.484 -15.422 655 HG3 ARG 78 3HG ARG 78 20.153 20.216 -13.990 656 HD2 ARG 78 2HD ARG 78 18.689 21.047 -15.490 657 HD3 ARG 78 3HD ARG 78 19.944 22.262 -15.729 658 HE ARG 78 HE ARG 78 20.357 20.035 -17.434 659 HH11 ARG 78 1HH1 ARG 78 18.365 22.861 -17.022 660 HH12 ARG 78 2HH1 ARG 78 18.033 23.033 -18.713 661 HH21 ARG 78 1HH2 ARG 78 19.926 20.252 -19.663 662 HH22 ARG 78 2HH2 ARG 78 18.920 21.548 -20.215 663 H GLU 79 H GLU 79 23.477 20.020 -12.330 664 HA GLU 79 HA GLU 79 25.424 21.439 -10.985 665 HB2 GLU 79 2HB GLU 79 26.886 19.389 -11.438 666 HB3 GLU 79 3HB GLU 79 25.361 19.121 -10.605 667 HG2 GLU 79 2HG GLU 79 24.562 17.833 -12.237 668 HG3 GLU 79 3HG GLU 79 25.147 18.910 -13.503 669 H GLU 80 H GLU 80 27.672 21.844 -11.512 670 HA GLU 80 HA GLU 80 27.930 22.937 -14.196 671 HB2 GLU 80 2HB GLU 80 28.576 24.107 -11.960 672 HB3 GLU 80 3HB GLU 80 30.038 23.136 -12.070 673 HG2 GLU 80 2HG GLU 80 30.812 24.930 -13.173 674 HG3 GLU 80 3HG GLU 80 30.002 24.170 -14.542 675 H SER 81 H SER 81 27.977 20.662 -15.039 676 HA SER 81 HA SER 81 30.666 19.954 -15.680 677 HB2 SER 81 2HB SER 81 29.229 18.435 -13.579 678 HB3 SER 81 3HB SER 81 30.053 17.472 -14.805 679 HG SER 81 HG SER 81 31.245 19.539 -13.264 680 HN1 NH2 90 H1 NH2 90 28.274 17.208 -17.268 Start of MODEL 2 1 H1 MET 1 H MET 1 3.575 -0.597 0.505 2 HA MET 1 HA MET 1 4.383 -1.154 -1.702 3 HB2 MET 1 2HB MET 1 1.599 -0.483 -2.277 4 HB3 MET 1 3HB MET 1 2.720 0.205 -3.444 5 HG2 MET 1 2HG MET 1 3.239 -2.597 -2.791 6 HG3 MET 1 3HG MET 1 1.678 -2.303 -3.552 7 HE1 MET 1 3HE MET 1 1.410 -1.042 -5.907 8 HE2 MET 1 1HE MET 1 2.402 -1.819 -7.141 9 HE3 MET 1 2HE MET 1 1.537 -2.801 -5.959 10 H ALA 2 H ALA 2 5.108 0.454 -3.474 11 HA ALA 2 HA ALA 2 6.090 2.798 -2.113 12 HB1 ALA 2 1HB ALA 2 6.912 1.202 -4.316 13 HB2 ALA 2 2HB ALA 2 6.770 2.874 -4.862 14 HB3 ALA 2 3HB ALA 2 7.801 2.480 -3.486 15 H LEU 3 H LEU 3 5.820 4.960 -2.814 16 HA LEU 3 HA LEU 3 3.316 5.409 -4.298 17 HB2 LEU 3 2HB LEU 3 4.313 6.430 -1.799 18 HB3 LEU 3 3HB LEU 3 4.006 7.752 -2.924 19 HG LEU 3 HG LEU 3 2.008 5.686 -2.005 20 HD11 LEU 3 1HD1 LEU 3 1.538 8.543 -1.542 21 HD12 LEU 3 2HD1 LEU 3 2.885 7.857 -0.634 22 HD13 LEU 3 3HD1 LEU 3 1.273 7.158 -0.483 23 HD21 LEU 3 3HD2 LEU 3 2.037 7.520 -4.274 24 HD22 LEU 3 1HD2 LEU 3 0.628 7.715 -3.229 25 HD23 LEU 3 2HD2 LEU 3 0.988 6.141 -3.941 26 HA PRO 4 HA PRO 4 6.168 7.148 -7.303 27 HB2 PRO 4 2HB PRO 4 4.293 7.463 -9.241 28 HB3 PRO 4 3HB PRO 4 5.056 5.908 -8.886 29 HG2 PRO 4 2HG PRO 4 2.388 6.950 -8.017 30 HG3 PRO 4 3HG PRO 4 2.820 5.335 -8.607 31 HD2 PRO 4 2HD PRO 4 2.501 5.888 -5.976 32 HD3 PRO 4 3HD PRO 4 3.657 4.675 -6.563 33 H ILE 5 H ILE 5 6.430 9.199 -8.291 34 HA ILE 5 HA ILE 5 4.453 11.263 -7.771 35 HB ILE 5 HB ILE 5 7.257 11.513 -6.677 36 HG12 ILE 5 2HG1 ILE 5 4.596 11.139 -5.292 37 HG13 ILE 5 3HG1 ILE 5 5.967 10.036 -5.267 38 HG21 ILE 5 1HG2 ILE 5 4.935 13.407 -6.381 39 HG22 ILE 5 2HG2 ILE 5 6.600 13.658 -5.861 40 HG23 ILE 5 3HG2 ILE 5 6.213 13.597 -7.580 41 HD11 ILE 5 3HD1 ILE 5 6.614 11.011 -3.394 42 HD12 ILE 5 1HD1 ILE 5 6.959 12.466 -4.329 43 HD13 ILE 5 2HD1 ILE 5 5.384 12.264 -3.561 44 H ILE 6 H ILE 6 4.502 12.874 -9.253 45 HA ILE 6 HA ILE 6 6.460 12.613 -11.407 46 HB ILE 6 HB ILE 6 3.782 13.956 -11.209 47 HG12 ILE 6 2HG1 ILE 6 4.531 12.322 -13.543 48 HG13 ILE 6 3HG1 ILE 6 4.531 11.454 -12.012 49 HG21 ILE 6 1HG2 ILE 6 4.202 14.738 -13.572 50 HG22 ILE 6 2HG2 ILE 6 5.062 15.613 -12.307 51 HG23 ILE 6 3HG2 ILE 6 5.911 14.415 -13.282 52 HD11 ILE 6 3HD1 ILE 6 2.335 11.275 -12.098 53 HD12 ILE 6 1HD1 ILE 6 2.169 13.029 -12.165 54 HD13 ILE 6 2HD1 ILE 6 2.341 12.101 -13.655 55 H VAL 7 H VAL 7 7.836 14.223 -12.034 56 HA VAL 7 HA VAL 7 7.851 16.681 -10.410 57 HB VAL 7 HB VAL 7 9.652 15.215 -9.646 58 HG11 VAL 7 1HG1 VAL 7 11.340 15.386 -11.988 59 HG12 VAL 7 2HG1 VAL 7 10.909 13.982 -11.009 60 HG13 VAL 7 3HG1 VAL 7 9.853 14.500 -12.324 61 HG21 VAL 7 3HG2 VAL 7 10.666 17.157 -9.256 62 HG22 VAL 7 1HG2 VAL 7 11.514 16.955 -10.789 63 HG23 VAL 7 2HG2 VAL 7 10.003 17.861 -10.731 64 H LYS 8 H LYS 8 7.714 18.467 -11.585 65 HA LYS 8 HA LYS 8 8.433 18.334 -14.436 66 HB2 LYS 8 2HB LYS 8 6.892 20.201 -14.771 67 HB3 LYS 8 3HB LYS 8 6.075 18.846 -14.003 68 HG2 LYS 8 2HG LYS 8 6.780 20.192 -11.814 69 HG3 LYS 8 3HG LYS 8 6.690 21.539 -12.952 70 HD2 LYS 8 2HD LYS 8 4.473 19.528 -12.751 71 HD3 LYS 8 3HD LYS 8 4.568 20.894 -11.637 72 HE2 LYS 8 2HE LYS 8 4.902 21.597 -14.465 73 HE3 LYS 8 3HE LYS 8 3.321 20.931 -14.060 74 HZ1 LYS 8 3HZ LYS 8 4.620 23.352 -12.968 75 HZ2 LYS 8 1HZ LYS 8 3.323 22.607 -12.177 76 HZ3 LYS 8 2HZ LYS 8 3.121 23.221 -13.740 77 H TRP 9 H TRP 9 10.218 19.357 -15.031 78 HA TRP 9 HA TRP 9 11.111 21.669 -13.437 79 HB2 TRP 9 2HB TRP 9 12.706 20.012 -12.963 80 HB3 TRP 9 3HB TRP 9 12.689 19.395 -14.613 81 HD1 TRP 9 HD1 TRP 9 15.019 19.815 -15.580 82 HE1 TRP 9 HE1 TRP 9 16.649 21.805 -15.668 83 HE3 TRP 9 HE3 TRP 9 12.426 23.117 -12.663 84 HZ2 TRP 9 HZ2 TRP 9 16.814 24.427 -14.636 85 HZ3 TRP 9 HZ3 TRP 9 13.390 25.345 -12.262 86 HH2 TRP 9 HH2 TRP 9 15.539 25.984 -13.229 87 H GLY 10 H GLY 10 10.456 23.347 -14.678 88 HA2 GLY 10 2HA GLY 10 11.055 24.896 -16.372 89 HA3 GLY 10 3HA GLY 10 11.688 23.564 -17.329 90 H GLY 11 H GLY 11 10.186 22.167 -18.422 91 HA2 GLY 11 2HA GLY 11 7.417 23.075 -18.575 92 HA3 GLY 11 3HA GLY 11 8.373 23.228 -20.042 93 H GLN 12 H GLN 12 9.108 20.590 -17.963 94 HA GLN 12 HA GLN 12 7.545 18.771 -19.668 95 HB2 GLN 12 2HB GLN 12 10.449 18.609 -18.906 96 HB3 GLN 12 3HB GLN 12 9.542 17.168 -19.348 97 HG2 GLN 12 2HG GLN 12 9.554 19.546 -21.154 98 HG3 GLN 12 3HG GLN 12 10.916 18.426 -21.143 99 HE21 GLN 12 1HE2 GLN 12 10.723 16.482 -22.119 100 HE22 GLN 12 2HE2 GLN 12 9.311 15.956 -22.963 101 H GLU 13 H GLU 13 7.611 16.465 -18.647 102 HA GLU 13 HA GLU 13 7.380 16.665 -15.724 103 HB2 GLU 13 2HB GLU 13 5.371 15.397 -17.592 104 HB3 GLU 13 3HB GLU 13 5.343 15.235 -15.842 105 HG2 GLU 13 2HG GLU 13 5.030 17.633 -15.607 106 HG3 GLU 13 3HG GLU 13 5.101 17.824 -17.358 107 H TYR 14 H TYR 14 8.030 14.891 -14.583 108 HA TYR 14 HA TYR 14 8.792 12.487 -16.081 109 HB2 TYR 14 2HB TYR 14 10.576 13.930 -14.110 110 HB3 TYR 14 3HB TYR 14 10.931 12.376 -14.856 111 HD1 TYR 14 HD1 TYR 14 10.300 15.954 -15.652 112 HD2 TYR 14 HD2 TYR 14 12.020 12.277 -16.926 113 HE1 TYR 14 HE1 TYR 14 11.361 17.113 -17.543 114 HE2 TYR 14 HE2 TYR 14 13.087 13.426 -18.821 115 HH TYR 14 HH TYR 14 13.573 15.426 -19.724 116 H SER 15 H SER 15 7.760 10.834 -15.200 117 HA SER 15 HA SER 15 6.756 10.961 -12.497 118 HB2 SER 15 2HB SER 15 5.621 8.896 -13.004 119 HB3 SER 15 3HB SER 15 5.466 9.957 -14.404 120 HG SER 15 HG SER 15 6.304 7.543 -14.477 121 H VAL 16 H VAL 16 7.527 9.941 -10.735 122 HA VAL 16 HA VAL 16 10.107 8.590 -10.999 123 HB VAL 16 HB VAL 16 8.676 9.623 -8.547 124 HG11 VAL 16 1HG1 VAL 16 9.948 8.048 -7.541 125 HG12 VAL 16 2HG1 VAL 16 11.077 7.939 -8.893 126 HG13 VAL 16 3HG1 VAL 16 11.209 9.265 -7.737 127 HG21 VAL 16 3HG2 VAL 16 9.429 11.555 -9.478 128 HG22 VAL 16 1HG2 VAL 16 10.918 11.063 -8.671 129 HG23 VAL 16 2HG2 VAL 16 10.703 10.748 -10.393 130 H THR 17 H THR 17 10.479 6.513 -10.360 131 HA THR 17 HA THR 17 8.365 4.991 -9.061 132 HB THR 17 HB THR 17 8.742 3.140 -10.842 133 HG1 THR 17 HG1 THR 17 9.334 5.448 -12.407 134 HG21 THR 17 3HG2 THR 17 6.799 5.078 -10.483 135 HG22 THR 17 1HG2 THR 17 6.663 3.643 -11.498 136 HG23 THR 17 2HG2 THR 17 7.175 5.177 -12.203 137 H THR 18 H THR 18 9.729 4.659 -7.326 138 HA THR 18 HA THR 18 11.351 2.423 -7.302 139 HB THR 18 HB THR 18 13.025 3.406 -8.622 140 HG1 THR 18 HG1 THR 18 14.245 2.630 -7.042 141 HG21 THR 18 3HG2 THR 18 12.115 5.871 -7.371 142 HG22 THR 18 1HG2 THR 18 12.902 5.621 -8.928 143 HG23 THR 18 2HG2 THR 18 13.873 5.766 -7.463 144 H LEU 19 H LEU 19 10.592 5.549 -5.970 145 HA LEU 19 HA LEU 19 11.623 4.877 -3.344 146 HB2 LEU 19 2HB LEU 19 10.676 7.267 -4.712 147 HB3 LEU 19 3HB LEU 19 10.080 7.144 -3.058 148 HG LEU 19 HG LEU 19 12.164 8.484 -3.311 149 HD11 LEU 19 1HD1 LEU 19 13.386 7.297 -1.457 150 HD12 LEU 19 2HD1 LEU 19 12.193 6.007 -1.606 151 HD13 LEU 19 3HD1 LEU 19 11.681 7.633 -1.156 152 HD21 LEU 19 3HD2 LEU 19 13.398 5.811 -3.966 153 HD22 LEU 19 1HD2 LEU 19 14.269 7.319 -3.689 154 HD23 LEU 19 2HD2 LEU 19 13.204 7.160 -5.086 155 H SER 20 H SER 20 10.332 4.720 -1.458 156 HA SER 20 HA SER 20 7.483 4.156 -1.929 157 HB2 SER 20 2HB SER 20 8.213 2.429 0.123 158 HB3 SER 20 3HB SER 20 7.898 1.978 -1.552 159 HG SER 20 HG SER 20 9.912 1.231 -1.117 160 H GLU 21 H GLU 21 6.277 3.998 0.218 161 HA GLU 21 HA GLU 21 6.547 6.428 1.597 162 HB2 GLU 21 2HB GLU 21 5.111 3.997 2.655 163 HB3 GLU 21 3HB GLU 21 4.757 5.687 2.984 164 HG2 GLU 21 2HG GLU 21 4.172 5.952 0.572 165 HG3 GLU 21 3HG GLU 21 4.342 4.206 0.401 166 H ASP 22 H ASP 22 8.050 3.371 2.056 167 HA ASP 22 HA ASP 22 8.673 3.623 4.819 168 HB2 ASP 22 2HB ASP 22 8.802 1.569 3.100 169 HB3 ASP 22 3HB ASP 22 10.488 2.076 3.047 170 H ASP 23 H ASP 23 9.770 5.278 2.118 171 HA ASP 23 HA ASP 23 12.391 5.857 3.299 172 HB2 ASP 23 2HB ASP 23 11.388 6.834 0.629 173 HB3 ASP 23 3HB ASP 23 13.054 6.704 1.186 174 H THR 24 H THR 24 12.507 8.425 1.850 175 HA THR 24 HA THR 24 10.633 10.030 3.450 176 HB THR 24 HB THR 24 12.872 11.620 3.372 177 HG1 THR 24 HG1 THR 24 14.632 10.406 3.650 178 HG21 THR 24 3HG2 THR 24 11.187 10.768 5.258 179 HG22 THR 24 1HG2 THR 24 12.712 11.565 5.645 180 HG23 THR 24 2HG2 THR 24 12.596 9.806 5.704 181 H VAL 25 H VAL 25 10.715 12.397 2.721 182 HA VAL 25 HA VAL 25 10.055 12.504 -0.028 183 HB VAL 25 HB VAL 25 10.673 14.894 1.703 184 HG11 VAL 25 1HG1 VAL 25 10.071 15.996 -0.131 185 HG12 VAL 25 2HG1 VAL 25 9.606 14.501 -0.946 186 HG13 VAL 25 3HG1 VAL 25 8.446 15.345 0.082 187 HG21 VAL 25 3HG2 VAL 25 8.010 14.663 1.929 188 HG22 VAL 25 1HG2 VAL 25 8.447 12.957 1.850 189 HG23 VAL 25 2HG2 VAL 25 9.140 13.987 3.102 190 H LEU 26 H LEU 26 12.868 13.639 1.806 191 HA LEU 26 HA LEU 26 14.196 14.927 -0.297 192 HB2 LEU 26 2HB LEU 26 15.884 15.219 1.168 193 HB3 LEU 26 3HB LEU 26 14.659 14.695 2.321 194 HG LEU 26 HG LEU 26 15.698 12.316 1.780 195 HD11 LEU 26 1HD1 LEU 26 18.214 13.882 1.652 196 HD12 LEU 26 2HD1 LEU 26 17.295 13.674 0.162 197 HD13 LEU 26 3HD1 LEU 26 17.854 12.261 1.058 198 HD21 LEU 26 3HD2 LEU 26 15.552 13.554 3.968 199 HD22 LEU 26 1HD2 LEU 26 17.138 14.232 3.600 200 HD23 LEU 26 2HD2 LEU 26 16.947 12.489 3.789 201 H ASP 27 H ASP 27 13.914 11.562 0.534 202 HA ASP 27 HA ASP 27 16.109 10.622 -1.011 203 HB2 ASP 27 2HB ASP 27 14.787 9.418 0.869 204 HB3 ASP 27 3HB ASP 27 13.666 8.976 -0.416 205 H LEU 28 H LEU 28 12.722 11.247 -1.690 206 HA LEU 28 HA LEU 28 12.822 10.048 -4.309 207 HB2 LEU 28 2HB LEU 28 10.792 10.315 -2.722 208 HB3 LEU 28 3HB LEU 28 10.697 11.945 -3.387 209 HG LEU 28 HG LEU 28 10.838 9.848 -5.423 210 HD11 LEU 28 1HD1 LEU 28 8.917 8.701 -5.018 211 HD12 LEU 28 2HD1 LEU 28 8.199 10.009 -4.079 212 HD13 LEU 28 3HD1 LEU 28 9.430 8.977 -3.353 213 HD21 LEU 28 3HD2 LEU 28 8.570 11.727 -5.198 214 HD22 LEU 28 1HD2 LEU 28 9.562 11.302 -6.593 215 HD23 LEU 28 2HD2 LEU 28 10.171 12.443 -5.393 216 H LYS 29 H LYS 29 12.632 13.354 -3.019 217 HA LYS 29 HA LYS 29 12.651 14.685 -5.491 218 HB2 LYS 29 2HB LYS 29 13.127 15.414 -2.666 219 HB3 LYS 29 3HB LYS 29 13.850 16.485 -3.859 220 HG2 LYS 29 2HG LYS 29 11.850 17.509 -3.708 221 HG3 LYS 29 3HG LYS 29 11.391 16.284 -4.894 222 HD2 LYS 29 2HD LYS 29 11.175 15.536 -2.035 223 HD3 LYS 29 3HD LYS 29 10.012 16.717 -2.643 224 HE2 LYS 29 2HE LYS 29 10.349 14.489 -4.466 225 HE3 LYS 29 3HE LYS 29 9.849 13.954 -2.862 226 HZ1 LYS 29 3HZ LYS 29 8.462 16.190 -4.191 227 HZ2 LYS 29 1HZ LYS 29 7.894 15.154 -2.980 228 HZ3 LYS 29 2HZ LYS 29 8.059 14.591 -4.566 229 H GLN 30 H GLN 30 15.347 14.157 -3.212 230 HA GLN 30 HA GLN 30 17.366 15.181 -4.841 231 HB2 GLN 30 2HB GLN 30 18.855 14.373 -3.279 232 HB3 GLN 30 3HB GLN 30 17.373 14.405 -2.334 233 HG2 GLN 30 2HG GLN 30 18.039 12.322 -1.799 234 HG3 GLN 30 3HG GLN 30 17.193 11.927 -3.294 235 HE21 GLN 30 1HE2 GLN 30 18.953 10.141 -2.550 236 HE22 GLN 30 2HE2 GLN 30 20.406 10.223 -3.480 237 H PHE 31 H PHE 31 15.649 12.206 -5.020 238 HA PHE 31 HA PHE 31 17.625 10.781 -6.538 239 HB2 PHE 31 2HB PHE 31 16.097 9.457 -5.273 240 HB3 PHE 31 3HB PHE 31 14.704 10.277 -5.970 241 HD1 PHE 31 HD1 PHE 31 13.935 9.746 -8.206 242 HD2 PHE 31 HD2 PHE 31 17.268 7.735 -6.484 243 HE1 PHE 31 HE1 PHE 31 13.783 8.012 -9.945 244 HE2 PHE 31 HE2 PHE 31 17.122 5.999 -8.222 245 HZ PHE 31 HZ PHE 31 15.379 6.136 -9.956 246 H LEU 32 H LEU 32 14.451 12.188 -7.354 247 HA LEU 32 HA LEU 32 14.747 11.809 -10.147 248 HB2 LEU 32 2HB LEU 32 12.844 13.431 -10.297 249 HB3 LEU 32 3HB LEU 32 12.554 12.015 -9.288 250 HG LEU 32 HG LEU 32 13.373 13.757 -7.408 251 HD11 LEU 32 1HD1 LEU 32 13.525 15.809 -8.270 252 HD12 LEU 32 2HD1 LEU 32 11.762 15.787 -8.301 253 HD13 LEU 32 3HD1 LEU 32 12.674 15.352 -9.746 254 HD21 LEU 32 3HD2 LEU 32 11.396 12.573 -7.070 255 HD22 LEU 32 1HD2 LEU 32 10.656 13.198 -8.544 256 HD23 LEU 32 2HD2 LEU 32 10.862 14.253 -7.145 257 H LYS 33 H LYS 33 15.281 14.584 -8.013 258 HA LYS 33 HA LYS 33 15.825 16.526 -9.920 259 HB2 LYS 33 2HB LYS 33 15.938 17.656 -7.993 260 HB3 LYS 33 3HB LYS 33 16.229 16.181 -7.080 261 HG2 LYS 33 2HG LYS 33 18.449 17.463 -8.615 262 HG3 LYS 33 3HG LYS 33 17.982 18.078 -7.027 263 HD2 LYS 33 2HD LYS 33 18.791 16.262 -5.939 264 HD3 LYS 33 3HD LYS 33 18.351 15.154 -7.241 265 HE2 LYS 33 2HE LYS 33 20.531 15.095 -7.719 266 HE3 LYS 33 3HE LYS 33 20.305 16.711 -8.388 267 HZ1 LYS 33 3HZ LYS 33 21.454 15.917 -5.803 268 HZ2 LYS 33 1HZ LYS 33 20.703 17.427 -5.939 269 HZ3 LYS 33 2HZ LYS 33 22.021 17.046 -6.929 270 H THR 34 H THR 34 17.755 13.847 -8.854 271 HA THR 34 HA THR 34 20.226 14.845 -9.940 272 HB THR 34 HB THR 34 19.658 12.917 -8.097 273 HG1 THR 34 HG1 THR 34 21.869 12.628 -8.100 274 HG21 THR 34 3HG2 THR 34 20.136 10.763 -8.926 275 HG22 THR 34 1HG2 THR 34 20.680 11.391 -10.481 276 HG23 THR 34 2HG2 THR 34 18.967 11.439 -10.061 277 H LEU 35 H LEU 35 17.513 13.061 -11.113 278 HA LEU 35 HA LEU 35 18.855 11.864 -13.347 279 HB2 LEU 35 2HB LEU 35 15.902 12.348 -13.176 280 HB3 LEU 35 3HB LEU 35 16.762 11.045 -13.995 281 HG LEU 35 HG LEU 35 16.473 11.361 -11.007 282 HD11 LEU 35 1HD1 LEU 35 14.530 10.576 -12.701 283 HD12 LEU 35 2HD1 LEU 35 14.709 9.964 -11.057 284 HD13 LEU 35 3HD1 LEU 35 15.343 9.037 -12.416 285 HD21 LEU 35 3HD2 LEU 35 17.563 9.251 -10.813 286 HD22 LEU 35 1HD2 LEU 35 18.590 10.286 -11.804 287 HD23 LEU 35 2HD2 LEU 35 17.599 9.040 -12.564 288 H THR 36 H THR 36 16.369 14.418 -13.139 289 HA THR 36 HA THR 36 17.656 15.749 -15.420 290 HB THR 36 HB THR 36 15.807 14.591 -16.419 291 HG1 THR 36 HG1 THR 36 15.969 16.644 -17.243 292 HG21 THR 36 3HG2 THR 36 13.964 15.922 -14.439 293 HG22 THR 36 1HG2 THR 36 14.560 14.274 -14.252 294 HG23 THR 36 2HG2 THR 36 13.556 14.696 -15.639 295 H GLY 37 H GLY 37 15.777 15.923 -12.497 296 HA2 GLY 37 2HA GLY 37 15.114 18.665 -12.558 297 HA3 GLY 37 3HA GLY 37 15.233 17.672 -11.113 298 H VAL 38 H VAL 38 15.985 19.999 -10.499 299 HA VAL 38 HA VAL 38 18.901 20.175 -10.889 300 HB VAL 38 HB VAL 38 18.056 22.188 -11.703 301 HG11 VAL 38 1HG1 VAL 38 15.862 22.473 -11.314 302 HG12 VAL 38 2HG1 VAL 38 15.949 21.750 -9.707 303 HG13 VAL 38 3HG1 VAL 38 16.408 23.437 -9.943 304 HG21 VAL 38 3HG2 VAL 38 18.758 23.890 -10.141 305 HG22 VAL 38 1HG2 VAL 38 18.576 22.771 -8.790 306 HG23 VAL 38 2HG2 VAL 38 19.828 22.495 -10.001 307 H LEU 39 H LEU 39 20.241 20.278 -9.144 308 HA LEU 39 HA LEU 39 19.492 19.112 -6.741 309 HB2 LEU 39 2HB LEU 39 21.641 20.355 -5.901 310 HB3 LEU 39 3HB LEU 39 21.748 19.031 -7.059 311 HG LEU 39 HG LEU 39 23.189 21.101 -7.470 312 HD11 LEU 39 1HD1 LEU 39 23.374 20.193 -9.481 313 HD12 LEU 39 2HD1 LEU 39 21.833 20.896 -9.972 314 HD13 LEU 39 3HD1 LEU 39 21.873 19.310 -9.203 315 HD21 LEU 39 3HD2 LEU 39 20.484 22.170 -8.257 316 HD22 LEU 39 1HD2 LEU 39 22.018 22.884 -8.755 317 HD23 LEU 39 2HD2 LEU 39 21.585 22.828 -7.046 318 HA PRO 40 HA PRO 40 17.519 22.255 -4.388 319 HB2 PRO 40 2HB PRO 40 18.202 21.482 -1.876 320 HB3 PRO 40 3HB PRO 40 17.021 20.611 -2.861 321 HG2 PRO 40 2HG PRO 40 19.911 19.996 -2.384 322 HG3 PRO 40 3HG PRO 40 18.523 18.893 -2.415 323 HD2 PRO 40 2HD PRO 40 20.212 19.168 -4.513 324 HD3 PRO 40 3HD PRO 40 18.487 18.801 -4.718 325 H GLU 41 H GLU 41 20.943 21.717 -4.101 326 HA GLU 41 HA GLU 41 21.690 23.708 -2.321 327 HB2 GLU 41 2HB GLU 41 23.309 22.122 -3.126 328 HB3 GLU 41 3HB GLU 41 23.102 22.675 -4.782 329 HG2 GLU 41 2HG GLU 41 24.256 24.656 -4.398 330 HG3 GLU 41 3HG GLU 41 24.068 24.537 -2.649 331 H ARG 42 H ARG 42 20.931 23.933 -5.758 332 HA ARG 42 HA ARG 42 21.316 26.842 -5.641 333 HB2 ARG 42 2HB ARG 42 21.380 24.826 -7.838 334 HB3 ARG 42 3HB ARG 42 20.875 26.464 -8.231 335 HG2 ARG 42 2HG ARG 42 23.016 26.983 -8.443 336 HG3 ARG 42 3HG ARG 42 23.177 26.773 -6.698 337 HD2 ARG 42 2HD ARG 42 23.474 24.274 -7.250 338 HD3 ARG 42 3HD ARG 42 23.776 24.826 -8.897 339 HE ARG 42 HE ARG 42 25.410 26.312 -7.207 340 HH11 ARG 42 1HH1 ARG 42 25.007 22.999 -8.196 341 HH12 ARG 42 2HH1 ARG 42 26.678 22.594 -7.978 342 HH21 ARG 42 1HH2 ARG 42 27.612 25.792 -6.916 343 HH22 ARG 42 2HH2 ARG 42 28.158 24.183 -7.249 344 H GLN 43 H GLN 43 18.963 24.347 -6.491 345 HA GLN 43 HA GLN 43 16.899 26.390 -6.848 346 HB2 GLN 43 2HB GLN 43 15.684 24.850 -8.057 347 HB3 GLN 43 3HB GLN 43 17.324 24.320 -8.404 348 HG2 GLN 43 2HG GLN 43 16.344 22.326 -7.910 349 HG3 GLN 43 3HG GLN 43 16.939 22.787 -6.316 350 HE21 GLN 43 1HE2 GLN 43 15.249 21.197 -5.707 351 HE22 GLN 43 2HE2 GLN 43 13.642 21.784 -5.469 352 H LYS 44 H LYS 44 14.828 26.148 -5.789 353 HA LYS 44 HA LYS 44 14.971 24.687 -3.237 354 HB2 LYS 44 2HB LYS 44 13.806 26.557 -2.145 355 HB3 LYS 44 3HB LYS 44 15.363 27.053 -2.796 356 HG2 LYS 44 2HG LYS 44 14.070 28.800 -3.471 357 HG3 LYS 44 3HG LYS 44 13.903 27.740 -4.873 358 HD2 LYS 44 2HD LYS 44 11.713 27.438 -4.513 359 HD3 LYS 44 3HD LYS 44 11.944 27.198 -2.779 360 HE2 LYS 44 2HE LYS 44 12.252 29.710 -2.620 361 HE3 LYS 44 3HE LYS 44 11.664 29.792 -4.280 362 HZ1 LYS 44 3HZ LYS 44 10.214 29.243 -1.826 363 HZ2 LYS 44 1HZ LYS 44 9.769 28.304 -3.161 364 HZ3 LYS 44 2HZ LYS 44 9.691 29.991 -3.250 365 H LEU 45 H LEU 45 13.114 23.694 -2.554 366 HA LEU 45 HA LEU 45 11.170 23.056 -4.510 367 HB2 LEU 45 2HB LEU 45 11.375 22.551 -1.558 368 HB3 LEU 45 3HB LEU 45 9.971 22.036 -2.491 369 HG LEU 45 HG LEU 45 11.440 20.166 -2.212 370 HD11 LEU 45 1HD1 LEU 45 10.306 20.484 -4.405 371 HD12 LEU 45 2HD1 LEU 45 11.779 19.518 -4.489 372 HD13 LEU 45 3HD1 LEU 45 11.797 21.200 -5.019 373 HD21 LEU 45 3HD2 LEU 45 13.738 20.155 -2.884 374 HD22 LEU 45 1HD2 LEU 45 13.490 21.517 -1.792 375 HD23 LEU 45 2HD2 LEU 45 13.609 21.792 -3.530 376 H LEU 46 H LEU 46 9.166 23.836 -4.890 377 HA LEU 46 HA LEU 46 8.482 26.398 -3.799 378 HB2 LEU 46 2HB LEU 46 7.209 24.551 -5.786 379 HB3 LEU 46 3HB LEU 46 6.364 25.985 -5.206 380 HG LEU 46 HG LEU 46 7.379 26.471 -7.327 381 HD11 LEU 46 1HD1 LEU 46 7.595 28.034 -5.170 382 HD12 LEU 46 2HD1 LEU 46 8.198 28.501 -6.760 383 HD13 LEU 46 3HD1 LEU 46 9.305 27.843 -5.555 384 HD21 LEU 46 3HD2 LEU 46 9.305 24.680 -6.632 385 HD22 LEU 46 1HD2 LEU 46 10.160 26.211 -6.438 386 HD23 LEU 46 2HD2 LEU 46 9.418 25.806 -7.986 387 H GLY 47 H GLY 47 6.338 23.578 -4.130 388 HA2 GLY 47 2HA GLY 47 5.063 24.337 -1.605 389 HA3 GLY 47 3HA GLY 47 4.405 23.237 -2.807 390 H LEU 48 H LEU 48 7.336 23.438 -0.780 391 HA LEU 48 HA LEU 48 7.802 20.699 -0.615 392 HB2 LEU 48 2HB LEU 48 9.105 21.230 1.418 393 HB3 LEU 48 3HB LEU 48 9.484 22.266 0.044 394 HG LEU 48 HG LEU 48 7.707 23.842 1.251 395 HD11 LEU 48 1HD1 LEU 48 7.206 22.312 3.055 396 HD12 LEU 48 2HD1 LEU 48 8.035 23.735 3.686 397 HD13 LEU 48 3HD1 LEU 48 8.914 22.219 3.486 398 HD21 LEU 48 3HD2 LEU 48 9.481 25.170 1.688 399 HD22 LEU 48 1HD2 LEU 48 10.351 23.933 0.780 400 HD23 LEU 48 2HD2 LEU 48 10.359 23.902 2.544 401 H LYS 49 H LYS 49 5.432 22.643 0.948 402 HA LYS 49 HA LYS 49 4.786 20.463 2.813 403 HB2 LYS 49 2HB LYS 49 3.152 22.514 3.552 404 HB3 LYS 49 3HB LYS 49 4.738 22.203 4.246 405 HG2 LYS 49 2HG LYS 49 5.756 23.831 2.829 406 HG3 LYS 49 3HG LYS 49 4.267 24.030 1.902 407 HD2 LYS 49 2HD LYS 49 3.543 25.577 3.327 408 HD3 LYS 49 3HD LYS 49 3.730 24.462 4.683 409 HE2 LYS 49 2HE LYS 49 6.012 25.112 4.986 410 HE3 LYS 49 3HE LYS 49 5.995 26.058 3.498 411 HZ1 LYS 49 3HZ LYS 49 5.745 27.615 5.192 412 HZ2 LYS 49 1HZ LYS 49 4.662 26.654 6.067 413 HZ3 LYS 49 2HZ LYS 49 4.166 27.391 4.628 414 H VAL 50 H VAL 50 2.775 19.522 2.832 415 HA VAL 50 HA VAL 50 0.757 20.468 0.942 416 HB VAL 50 HB VAL 50 1.644 17.583 0.950 417 HG11 VAL 50 1HG1 VAL 50 -0.270 17.232 -0.118 418 HG12 VAL 50 2HG1 VAL 50 -0.655 18.953 -0.060 419 HG13 VAL 50 3HG1 VAL 50 0.281 18.302 -1.407 420 HG21 VAL 50 3HG2 VAL 50 3.456 18.732 -0.017 421 HG22 VAL 50 1HG2 VAL 50 2.488 18.168 -1.379 422 HG23 VAL 50 2HG2 VAL 50 2.397 19.854 -0.870 423 H LYS 51 H LYS 51 -1.338 19.930 1.486 424 HA LYS 51 HA LYS 51 -3.065 19.490 2.903 425 HB2 LYS 51 2HB LYS 51 -1.334 17.067 3.408 426 HB3 LYS 51 3HB LYS 51 -2.965 17.241 4.042 427 HG2 LYS 51 2HG LYS 51 -2.367 17.437 1.108 428 HG3 LYS 51 3HG LYS 51 -2.685 15.896 1.909 429 HD2 LYS 51 2HD LYS 51 -4.561 18.244 2.078 430 HD3 LYS 51 3HD LYS 51 -4.673 17.018 0.813 431 HE2 LYS 51 2HE LYS 51 -4.456 15.807 3.425 432 HE3 LYS 51 3HE LYS 51 -5.812 16.932 3.360 433 HZ1 LYS 51 3HZ LYS 51 -5.843 15.442 1.007 434 HZ2 LYS 51 1HZ LYS 51 -6.956 15.396 2.280 435 HZ3 LYS 51 2HZ LYS 51 -5.631 14.346 2.277 436 H GLY 52 H GLY 52 -0.930 21.166 3.904 437 HA2 GLY 52 2HA GLY 52 -0.737 22.323 5.920 438 HA3 GLY 52 3HA GLY 52 -1.618 21.030 6.719 439 H LYS 53 H LYS 53 0.430 19.202 5.233 440 HA LYS 53 HA LYS 53 2.234 19.037 7.477 441 HB2 LYS 53 2HB LYS 53 1.936 17.413 4.952 442 HB3 LYS 53 3HB LYS 53 3.186 17.096 6.147 443 HG2 LYS 53 2HG LYS 53 0.218 17.025 6.656 444 HG3 LYS 53 3HG LYS 53 1.262 15.620 6.424 445 HD2 LYS 53 2HD LYS 53 2.505 17.121 8.418 446 HD3 LYS 53 3HD LYS 53 0.784 17.190 8.804 447 HE2 LYS 53 2HE LYS 53 0.623 14.902 9.083 448 HE3 LYS 53 3HE LYS 53 2.033 14.576 8.077 449 HZ1 LYS 53 3HZ LYS 53 3.416 14.790 9.808 450 HZ2 LYS 53 1HZ LYS 53 2.039 14.526 10.755 451 HZ3 LYS 53 2HZ LYS 53 2.579 16.103 10.470 452 HA PRO 54 HA PRO 54 5.590 21.343 5.821 453 HB2 PRO 54 2HB PRO 54 7.672 20.092 7.034 454 HB3 PRO 54 3HB PRO 54 6.560 21.161 7.896 455 HG2 PRO 54 2HG PRO 54 6.592 18.171 7.764 456 HG3 PRO 54 3HG PRO 54 6.326 19.226 9.164 457 HD2 PRO 54 2HD PRO 54 4.294 18.021 7.841 458 HD3 PRO 54 3HD PRO 54 4.120 19.609 8.615 459 H ALA 55 H ALA 55 5.807 17.813 5.675 460 HA ALA 55 HA ALA 55 7.006 16.428 4.275 461 HB1 ALA 55 1HB ALA 55 6.458 17.133 1.801 462 HB2 ALA 55 2HB ALA 55 5.195 16.535 2.878 463 HB3 ALA 55 3HB ALA 55 5.370 18.268 2.601 464 H GLU 56 H GLU 56 8.716 18.383 5.317 465 HA GLU 56 HA GLU 56 10.202 19.728 3.314 466 HB2 GLU 56 2HB GLU 56 10.310 20.472 5.610 467 HB3 GLU 56 3HB GLU 56 10.937 18.914 6.128 468 HG2 GLU 56 2HG GLU 56 12.997 19.644 5.828 469 HG3 GLU 56 3HG GLU 56 12.663 19.894 4.116 470 H ASN 57 H ASN 57 11.520 17.182 5.409 471 HA ASN 57 HA ASN 57 12.372 15.609 3.138 472 HB2 ASN 57 2HB ASN 57 14.801 15.709 4.193 473 HB3 ASN 57 3HB ASN 57 14.277 16.891 2.996 474 HD21 ASN 57 1HD2 ASN 57 15.392 18.643 3.590 475 HD22 ASN 57 2HD2 ASN 57 15.289 19.400 5.140 476 H ASP 58 H ASP 58 12.459 16.168 6.617 477 HA ASP 58 HA ASP 58 13.199 13.492 7.289 478 HB2 ASP 58 2HB ASP 58 12.142 15.833 8.852 479 HB3 ASP 58 3HB ASP 58 12.310 14.247 9.602 480 H VAL 59 H VAL 59 10.455 14.649 5.933 481 HA VAL 59 HA VAL 59 8.597 12.964 7.425 482 HB VAL 59 HB VAL 59 7.718 14.365 4.960 483 HG11 VAL 59 1HG1 VAL 59 6.586 13.919 7.714 484 HG12 VAL 59 2HG1 VAL 59 5.790 14.897 6.479 485 HG13 VAL 59 3HG1 VAL 59 6.071 13.178 6.199 486 HG21 VAL 59 3HG2 VAL 59 8.713 15.762 7.418 487 HG22 VAL 59 1HG2 VAL 59 9.016 16.141 5.723 488 HG23 VAL 59 2HG2 VAL 59 7.432 16.462 6.429 489 H LYS 60 H LYS 60 7.438 11.259 6.503 490 HA LYS 60 HA LYS 60 8.837 9.911 4.334 491 HB2 LYS 60 2HB LYS 60 6.728 9.033 6.300 492 HB3 LYS 60 3HB LYS 60 7.227 8.024 4.948 493 HG2 LYS 60 2HG LYS 60 9.630 8.583 5.991 494 HG3 LYS 60 3HG LYS 60 8.642 8.685 7.450 495 HD2 LYS 60 2HD LYS 60 7.664 6.414 6.426 496 HD3 LYS 60 3HD LYS 60 9.292 6.350 5.746 497 HE2 LYS 60 2HE LYS 60 10.162 5.773 7.712 498 HE3 LYS 60 3HE LYS 60 9.366 7.121 8.523 499 HZ1 LYS 60 3HZ LYS 60 8.308 4.396 8.054 500 HZ2 LYS 60 1HZ LYS 60 7.309 5.688 8.496 501 HZ3 LYS 60 2HZ LYS 60 8.547 5.185 9.532 502 H LEU 61 H LEU 61 7.851 9.198 2.436 503 HA LEU 61 HA LEU 61 6.097 10.911 1.166 504 HB2 LEU 61 2HB LEU 61 6.263 7.989 0.499 505 HB3 LEU 61 3HB LEU 61 5.984 9.346 -0.589 506 HG LEU 61 HG LEU 61 8.587 8.700 0.794 507 HD11 LEU 61 1HD1 LEU 61 7.913 8.526 -2.134 508 HD12 LEU 61 2HD1 LEU 61 7.874 7.145 -1.038 509 HD13 LEU 61 3HD1 LEU 61 9.391 7.997 -1.329 510 HD21 LEU 61 3HD2 LEU 61 8.276 11.100 0.466 511 HD22 LEU 61 1HD2 LEU 61 7.912 10.825 -1.238 512 HD23 LEU 61 2HD2 LEU 61 9.521 10.465 -0.611 513 H GLY 62 H GLY 62 5.400 7.975 2.998 514 HA2 GLY 62 2HA GLY 62 2.602 7.971 2.360 515 HA3 GLY 62 3HA GLY 62 3.393 6.994 3.587 516 H ALA 63 H ALA 63 4.526 9.701 4.592 517 HA ALA 63 HA ALA 63 2.392 10.135 6.500 518 HB1 ALA 63 1HB ALA 63 5.109 11.431 6.309 519 HB2 ALA 63 2HB ALA 63 3.989 11.552 7.667 520 HB3 ALA 63 3HB ALA 63 4.716 9.998 7.260 521 H LEU 64 H LEU 64 3.522 11.564 3.600 522 HA LEU 64 HA LEU 64 2.421 14.184 4.146 523 HB2 LEU 64 2HB LEU 64 3.074 13.441 1.373 524 HB3 LEU 64 3HB LEU 64 3.502 14.882 2.293 525 HG LEU 64 HG LEU 64 4.868 12.200 2.514 526 HD11 LEU 64 1HD1 LEU 64 5.134 13.614 0.367 527 HD12 LEU 64 2HD1 LEU 64 6.577 13.008 1.179 528 HD13 LEU 64 3HD1 LEU 64 6.087 14.689 1.390 529 HD21 LEU 64 3HD2 LEU 64 6.365 13.187 4.011 530 HD22 LEU 64 1HD2 LEU 64 4.785 13.758 4.547 531 HD23 LEU 64 2HD2 LEU 64 5.835 14.821 3.609 532 H LYS 65 H LYS 65 1.347 11.198 2.853 533 HA LYS 65 HA LYS 65 -0.591 10.513 1.873 534 HB2 LYS 65 2HB LYS 65 -1.773 13.005 3.103 535 HB3 LYS 65 3HB LYS 65 -2.622 11.527 2.674 536 HG2 LYS 65 2HG LYS 65 -0.455 11.648 4.754 537 HG3 LYS 65 3HG LYS 65 -2.172 11.837 5.115 538 HD2 LYS 65 2HD LYS 65 -2.643 9.625 4.302 539 HD3 LYS 65 3HD LYS 65 -0.986 9.437 3.724 540 HE2 LYS 65 2HE LYS 65 -0.632 8.417 5.689 541 HE3 LYS 65 3HE LYS 65 -0.595 10.050 6.352 542 HZ1 LYS 65 3HZ LYS 65 -2.926 8.215 6.272 543 HZ2 LYS 65 1HZ LYS 65 -3.010 9.833 6.760 544 HZ3 LYS 65 2HZ LYS 65 -2.082 8.730 7.645 545 H LEU 66 H LEU 66 1.076 11.936 0.167 546 HA LEU 66 HA LEU 66 -0.625 13.775 -1.326 547 HB2 LEU 66 2HB LEU 66 2.253 13.167 -1.202 548 HB3 LEU 66 3HB LEU 66 1.635 13.570 -2.802 549 HG LEU 66 HG LEU 66 1.094 15.362 -0.461 550 HD11 LEU 66 1HD1 LEU 66 3.671 14.709 -1.354 551 HD12 LEU 66 2HD1 LEU 66 3.197 16.042 -0.303 552 HD13 LEU 66 3HD1 LEU 66 3.295 16.287 -2.046 553 HD21 LEU 66 3HD2 LEU 66 -0.110 16.248 -2.150 554 HD22 LEU 66 1HD2 LEU 66 0.853 15.455 -3.397 555 HD23 LEU 66 2HD2 LEU 66 1.448 16.926 -2.627 556 H LYS 67 H LYS 67 -1.117 13.483 -3.541 557 HA LYS 67 HA LYS 67 -1.847 10.830 -4.233 558 HB2 LYS 67 2HB LYS 67 -2.066 13.513 -5.470 559 HB3 LYS 67 3HB LYS 67 -2.114 12.145 -6.575 560 HG2 LYS 67 2HG LYS 67 -4.255 11.872 -6.104 561 HG3 LYS 67 3HG LYS 67 -3.827 11.515 -4.429 562 HD2 LYS 67 2HD LYS 67 -5.370 13.299 -4.333 563 HD3 LYS 67 3HD LYS 67 -3.785 14.023 -4.053 564 HE2 LYS 67 2HE LYS 67 -3.749 15.064 -6.102 565 HE3 LYS 67 3HE LYS 67 -4.837 13.888 -6.839 566 HZ1 LYS 67 3HZ LYS 67 -5.728 16.216 -6.345 567 HZ2 LYS 67 1HZ LYS 67 -5.789 15.719 -4.729 568 HZ3 LYS 67 2HZ LYS 67 -6.687 14.895 -5.902 569 HA PRO 68 HA PRO 68 1.618 9.309 -6.453 570 HB2 PRO 68 2HB PRO 68 0.452 8.012 -8.534 571 HB3 PRO 68 3HB PRO 68 0.395 7.410 -6.873 572 HG2 PRO 68 2HG PRO 68 -1.678 8.926 -8.411 573 HG3 PRO 68 3HG PRO 68 -1.880 7.527 -7.341 574 HD2 PRO 68 2HD PRO 68 -2.410 10.059 -6.543 575 HD3 PRO 68 3HD PRO 68 -1.801 8.816 -5.432 576 H ASN 69 H ASN 69 -0.798 10.971 -8.444 577 HA ASN 69 HA ASN 69 1.059 11.490 -10.578 578 HB2 ASN 69 2HB ASN 69 -1.633 12.783 -10.107 579 HB3 ASN 69 3HB ASN 69 -0.746 12.692 -11.626 580 HD21 ASN 69 1HD2 ASN 69 -2.938 11.151 -9.529 581 HD22 ASN 69 2HD2 ASN 69 -3.161 9.704 -10.447 582 H THR 70 H THR 70 0.353 12.923 -7.585 583 HA THR 70 HA THR 70 0.494 15.568 -7.701 584 HB THR 70 HB THR 70 2.309 13.850 -6.002 585 HG1 THR 70 HG1 THR 70 -0.275 14.977 -5.645 586 HG21 THR 70 3HG2 THR 70 3.195 16.115 -6.097 587 HG22 THR 70 1HG2 THR 70 2.471 15.813 -4.518 588 HG23 THR 70 2HG2 THR 70 1.604 16.774 -5.717 589 H LYS 71 H LYS 71 1.679 17.117 -8.612 590 HA LYS 71 HA LYS 71 4.185 16.361 -9.924 591 HB2 LYS 71 2HB LYS 71 2.712 18.974 -10.229 592 HB3 LYS 71 3HB LYS 71 3.907 18.271 -11.312 593 HG2 LYS 71 2HG LYS 71 2.203 17.511 -12.510 594 HG3 LYS 71 3HG LYS 71 1.907 16.363 -11.202 595 HD2 LYS 71 2HD LYS 71 -0.150 17.481 -11.641 596 HD3 LYS 71 3HD LYS 71 0.474 18.118 -10.118 597 HE2 LYS 71 2HE LYS 71 1.130 20.140 -11.104 598 HE3 LYS 71 3HE LYS 71 1.034 19.476 -12.735 599 HZ1 LYS 71 3HZ LYS 71 -1.115 20.433 -10.988 600 HZ2 LYS 71 1HZ LYS 71 -1.465 19.186 -12.076 601 HZ3 LYS 71 2HZ LYS 71 -0.889 20.670 -12.648 602 H ILE 72 H ILE 72 6.107 17.487 -9.616 603 HA ILE 72 HA ILE 72 6.184 19.169 -7.197 604 HB ILE 72 HB ILE 72 8.381 17.412 -8.297 605 HG12 ILE 72 2HG1 ILE 72 6.606 16.074 -7.312 606 HG13 ILE 72 3HG1 ILE 72 8.004 16.076 -6.242 607 HG21 ILE 72 1HG2 ILE 72 9.022 18.071 -5.708 608 HG22 ILE 72 2HG2 ILE 72 9.708 18.800 -7.159 609 HG23 ILE 72 3HG2 ILE 72 8.347 19.571 -6.344 610 HD11 ILE 72 3HD1 ILE 72 5.979 16.297 -4.962 611 HD12 ILE 72 1HD1 ILE 72 6.910 17.791 -4.863 612 HD13 ILE 72 2HD1 ILE 72 5.495 17.702 -5.912 613 H MET 73 H MET 73 6.903 21.189 -7.403 614 HA MET 73 HA MET 73 8.041 21.996 -9.981 615 HB2 MET 73 2HB MET 73 6.848 23.662 -7.759 616 HB3 MET 73 3HB MET 73 7.461 24.295 -9.281 617 HG2 MET 73 2HG MET 73 5.720 23.370 -10.511 618 HG3 MET 73 3HG MET 73 5.302 22.227 -9.237 619 HE1 MET 73 3HE MET 73 4.103 22.773 -7.095 620 HE2 MET 73 1HE MET 73 5.148 24.100 -6.585 621 HE3 MET 73 2HE MET 73 3.401 24.331 -6.657 622 H MET 74 H MET 74 9.993 23.036 -10.156 623 HA MET 74 HA MET 74 11.547 23.419 -7.693 624 HB2 MET 74 2HB MET 74 12.655 22.178 -10.215 625 HB3 MET 74 3HB MET 74 13.506 22.417 -8.695 626 HG2 MET 74 2HG MET 74 12.434 20.677 -7.658 627 HG3 MET 74 3HG MET 74 11.029 20.770 -8.717 628 HE1 MET 74 3HE MET 74 14.056 17.642 -8.908 629 HE2 MET 74 1HE MET 74 14.143 19.010 -7.797 630 HE3 MET 74 2HE MET 74 12.696 18.002 -7.843 631 H MET 75 H MET 75 12.550 25.328 -7.587 632 HA MET 75 HA MET 75 12.827 26.881 -10.077 633 HB2 MET 75 2HB MET 75 12.221 27.862 -7.283 634 HB3 MET 75 3HB MET 75 12.570 28.912 -8.650 635 HG2 MET 75 2HG MET 75 10.455 26.998 -9.207 636 HG3 MET 75 3HG MET 75 10.089 28.058 -7.848 637 HE1 MET 75 3HE MET 75 9.598 30.708 -8.115 638 HE2 MET 75 1HE MET 75 11.351 30.663 -8.306 639 HE3 MET 75 2HE MET 75 10.366 31.599 -9.430 640 H GLY 76 H GLY 76 14.841 27.386 -10.630 641 HA2 GLY 76 2HA GLY 76 16.838 28.543 -9.290 642 HA3 GLY 76 3HA GLY 76 17.000 26.880 -8.745 643 H THR 77 H THR 77 19.086 26.811 -9.705 644 HA THR 77 HA THR 77 18.975 26.339 -12.605 645 HB THR 77 HB THR 77 20.036 28.459 -12.477 646 HG1 THR 77 HG1 THR 77 21.136 26.826 -13.756 647 HG21 THR 77 3HG2 THR 77 20.959 29.133 -10.564 648 HG22 THR 77 1HG2 THR 77 22.338 28.089 -10.905 649 HG23 THR 77 2HG2 THR 77 20.987 27.481 -9.949 650 H ARG 78 H ARG 78 20.123 24.606 -13.339 651 HA ARG 78 HA ARG 78 21.211 22.830 -11.295 652 HB2 ARG 78 2HB ARG 78 21.254 21.178 -13.223 653 HB3 ARG 78 3HB ARG 78 19.666 21.736 -12.713 654 HG2 ARG 78 2HG ARG 78 20.880 23.341 -14.839 655 HG3 ARG 78 3HG ARG 78 20.549 21.665 -15.280 656 HD2 ARG 78 2HD ARG 78 18.226 21.959 -14.471 657 HD3 ARG 78 3HD ARG 78 18.582 23.658 -14.161 658 HE ARG 78 HE ARG 78 18.096 22.420 -16.718 659 HH11 ARG 78 1HH1 ARG 78 19.489 25.136 -15.045 660 HH12 ARG 78 2HH1 ARG 78 19.406 26.190 -16.417 661 HH21 ARG 78 1HH2 ARG 78 17.981 23.798 -18.532 662 HH22 ARG 78 2HH2 ARG 78 18.547 25.429 -18.400 663 H GLU 79 H GLU 79 23.278 21.931 -11.395 664 HA GLU 79 HA GLU 79 25.358 23.611 -12.153 665 HB2 GLU 79 2HB GLU 79 26.846 21.829 -11.603 666 HB3 GLU 79 3HB GLU 79 25.480 21.723 -10.501 667 HG2 GLU 79 2HG GLU 79 24.540 19.903 -11.755 668 HG3 GLU 79 3HG GLU 79 25.785 20.065 -12.992 669 H GLU 80 H GLU 80 27.222 22.758 -13.630 670 HA GLU 80 HA GLU 80 26.015 22.223 -16.256 671 HB2 GLU 80 2HB GLU 80 27.263 24.337 -16.041 672 HB3 GLU 80 3HB GLU 80 28.702 23.436 -15.584 673 HG2 GLU 80 2HG GLU 80 29.238 23.476 -17.735 674 HG3 GLU 80 3HG GLU 80 27.975 22.268 -17.961 675 H SER 81 H SER 81 25.926 19.959 -16.026 676 HA SER 81 HA SER 81 28.214 18.577 -16.942 677 HB2 SER 81 2HB SER 81 29.234 18.322 -14.928 678 HB3 SER 81 3HB SER 81 27.756 18.650 -14.024 679 HG SER 81 HG SER 81 28.164 16.528 -13.690 680 HN1 NH2 90 H1 NH2 90 26.139 15.586 -16.943 Start of MODEL 3 1 H1 MET 1 H MET 1 1.994 -0.799 0.850 2 HA MET 1 HA MET 1 2.898 -1.091 -1.261 3 HB2 MET 1 2HB MET 1 0.209 -0.489 -1.900 4 HB3 MET 1 3HB MET 1 1.211 0.572 -2.882 5 HG2 MET 1 2HG MET 1 2.253 -2.110 -2.887 6 HG3 MET 1 3HG MET 1 0.562 -2.088 -3.380 7 HE1 MET 1 3HE MET 1 0.676 -2.827 -5.578 8 HE2 MET 1 1HE MET 1 -0.167 -1.321 -5.943 9 HE3 MET 1 2HE MET 1 1.163 -1.858 -6.969 10 H ALA 2 H ALA 2 3.584 0.567 -3.147 11 HA ALA 2 HA ALA 2 4.825 2.776 -1.722 12 HB1 ALA 2 1HB ALA 2 5.550 1.113 -3.910 13 HB2 ALA 2 2HB ALA 2 5.554 2.789 -4.459 14 HB3 ALA 2 3HB ALA 2 6.527 2.315 -3.066 15 H LEU 3 H LEU 3 4.739 4.950 -2.424 16 HA LEU 3 HA LEU 3 2.297 5.599 -3.936 17 HB2 LEU 3 2HB LEU 3 3.366 6.553 -1.443 18 HB3 LEU 3 3HB LEU 3 3.192 7.887 -2.582 19 HG LEU 3 HG LEU 3 0.998 6.018 -1.686 20 HD11 LEU 3 1HD1 LEU 3 0.121 7.868 -0.469 21 HD12 LEU 3 2HD1 LEU 3 1.342 8.956 -1.128 22 HD13 LEU 3 3HD1 LEU 3 1.813 7.681 -0.005 23 HD21 LEU 3 3HD2 LEU 3 -0.326 7.974 -2.864 24 HD22 LEU 3 1HD2 LEU 3 0.270 6.587 -3.775 25 HD23 LEU 3 2HD2 LEU 3 1.165 8.106 -3.797 26 HA PRO 4 HA PRO 4 5.303 7.048 -6.947 27 HB2 PRO 4 2HB PRO 4 3.472 7.487 -8.902 28 HB3 PRO 4 3HB PRO 4 4.102 5.881 -8.520 29 HG2 PRO 4 2HG PRO 4 1.524 7.151 -7.684 30 HG3 PRO 4 3HG PRO 4 1.825 5.498 -8.249 31 HD2 PRO 4 2HD PRO 4 1.537 6.113 -5.628 32 HD3 PRO 4 3HD PRO 4 2.592 4.801 -6.190 33 H ILE 5 H ILE 5 5.734 9.055 -7.968 34 HA ILE 5 HA ILE 5 3.933 11.282 -7.488 35 HB ILE 5 HB ILE 5 6.730 11.268 -6.348 36 HG12 ILE 5 2HG1 ILE 5 4.011 11.324 -5.024 37 HG13 ILE 5 3HG1 ILE 5 5.196 10.026 -4.938 38 HG21 ILE 5 1HG2 ILE 5 6.230 13.515 -5.560 39 HG22 ILE 5 2HG2 ILE 5 6.112 13.430 -7.317 40 HG23 ILE 5 3HG2 ILE 5 4.647 13.449 -6.334 41 HD11 ILE 5 3HD1 ILE 5 6.557 12.270 -4.045 42 HD12 ILE 5 1HD1 ILE 5 4.949 12.406 -3.335 43 HD13 ILE 5 2HD1 ILE 5 5.914 10.955 -3.062 44 H ILE 6 H ILE 6 4.121 12.861 -8.994 45 HA ILE 6 HA ILE 6 6.061 12.408 -11.131 46 HB ILE 6 HB ILE 6 3.501 13.967 -10.966 47 HG12 ILE 6 2HG1 ILE 6 4.059 12.303 -13.306 48 HG13 ILE 6 3HG1 ILE 6 4.126 11.403 -11.794 49 HG21 ILE 6 1HG2 ILE 6 3.996 14.690 -13.334 50 HG22 ILE 6 2HG2 ILE 6 4.916 15.506 -12.071 51 HG23 ILE 6 3HG2 ILE 6 5.672 14.234 -13.030 52 HD11 ILE 6 3HD1 ILE 6 1.861 12.149 -13.277 53 HD12 ILE 6 1HD1 ILE 6 1.922 11.319 -11.723 54 HD13 ILE 6 2HD1 ILE 6 1.821 13.079 -11.780 55 H VAL 7 H VAL 7 7.577 13.880 -11.763 56 HA VAL 7 HA VAL 7 7.783 16.360 -10.185 57 HB VAL 7 HB VAL 7 9.440 14.758 -9.367 58 HG11 VAL 7 1HG1 VAL 7 11.163 14.751 -11.694 59 HG12 VAL 7 2HG1 VAL 7 10.622 13.407 -10.686 60 HG13 VAL 7 3HG1 VAL 7 9.616 13.971 -12.020 61 HG21 VAL 7 3HG2 VAL 7 10.037 17.343 -10.501 62 HG22 VAL 7 1HG2 VAL 7 10.594 16.622 -8.991 63 HG23 VAL 7 2HG2 VAL 7 11.466 16.309 -10.491 64 H LYS 8 H LYS 8 7.800 18.122 -11.403 65 HA LYS 8 HA LYS 8 8.541 17.868 -14.239 66 HB2 LYS 8 2HB LYS 8 7.170 19.839 -14.641 67 HB3 LYS 8 3HB LYS 8 6.230 18.606 -13.811 68 HG2 LYS 8 2HG LYS 8 7.017 19.939 -11.675 69 HG3 LYS 8 3HG LYS 8 7.171 21.251 -12.846 70 HD2 LYS 8 2HD LYS 8 4.690 19.607 -12.340 71 HD3 LYS 8 3HD LYS 8 4.966 21.261 -11.791 72 HE2 LYS 8 2HE LYS 8 5.462 21.168 -14.584 73 HE3 LYS 8 3HE LYS 8 3.926 20.358 -14.280 74 HZ1 LYS 8 3HZ LYS 8 4.353 23.066 -14.425 75 HZ2 LYS 8 1HZ LYS 8 4.142 22.761 -12.774 76 HZ3 LYS 8 2HZ LYS 8 2.950 22.294 -13.880 77 H TRP 9 H TRP 9 10.394 18.741 -14.864 78 HA TRP 9 HA TRP 9 11.499 20.973 -13.289 79 HB2 TRP 9 2HB TRP 9 12.962 19.223 -12.791 80 HB3 TRP 9 3HB TRP 9 12.842 18.533 -14.407 81 HD1 TRP 9 HD1 TRP 9 15.070 18.764 -15.623 82 HE1 TRP 9 HE1 TRP 9 16.924 20.543 -15.776 83 HE3 TRP 9 HE3 TRP 9 13.140 22.228 -12.395 84 HZ2 TRP 9 HZ2 TRP 9 17.493 23.078 -14.674 85 HZ3 TRP 9 HZ3 TRP 9 14.402 24.303 -12.000 86 HH2 TRP 9 HH2 TRP 9 16.533 24.717 -13.116 87 H GLY 10 H GLY 10 10.981 22.687 -14.551 88 HA2 GLY 10 2HA GLY 10 11.569 24.186 -16.253 89 HA3 GLY 10 3HA GLY 10 12.325 22.863 -17.128 90 H GLY 11 H GLY 11 10.888 21.309 -18.199 91 HA2 GLY 11 2HA GLY 11 8.153 22.189 -18.663 92 HA3 GLY 11 3HA GLY 11 9.229 22.281 -20.049 93 H GLN 12 H GLN 12 9.871 19.759 -17.823 94 HA GLN 12 HA GLN 12 8.411 17.835 -19.502 95 HB2 GLN 12 2HB GLN 12 11.281 17.678 -18.583 96 HB3 GLN 12 3HB GLN 12 10.389 16.286 -19.183 97 HG2 GLN 12 2HG GLN 12 10.196 18.534 -20.988 98 HG3 GLN 12 3HG GLN 12 11.872 18.087 -20.674 99 HE21 GLN 12 1HE2 GLN 12 12.501 16.990 -22.402 100 HE22 GLN 12 2HE2 GLN 12 11.677 15.638 -23.091 101 H GLU 13 H GLU 13 7.448 16.160 -18.451 102 HA GLU 13 HA GLU 13 7.559 16.244 -15.519 103 HB2 GLU 13 2HB GLU 13 5.478 15.160 -17.418 104 HB3 GLU 13 3HB GLU 13 5.418 14.920 -15.678 105 HG2 GLU 13 2HG GLU 13 5.341 17.349 -15.356 106 HG3 GLU 13 3HG GLU 13 5.360 17.569 -17.105 107 H TYR 14 H TYR 14 7.984 14.438 -14.303 108 HA TYR 14 HA TYR 14 8.615 11.949 -15.725 109 HB2 TYR 14 2HB TYR 14 10.413 13.339 -13.730 110 HB3 TYR 14 3HB TYR 14 10.660 11.698 -14.318 111 HD1 TYR 14 HD1 TYR 14 10.521 15.249 -15.374 112 HD2 TYR 14 HD2 TYR 14 11.743 11.299 -16.377 113 HE1 TYR 14 HE1 TYR 14 11.791 16.134 -17.285 114 HE2 TYR 14 HE2 TYR 14 13.017 12.173 -18.290 115 HH TYR 14 HH TYR 14 13.317 15.645 -18.867 116 H SER 15 H SER 15 7.504 10.345 -14.853 117 HA SER 15 HA SER 15 6.325 10.620 -12.228 118 HB2 SER 15 2HB SER 15 5.242 8.446 -12.762 119 HB3 SER 15 3HB SER 15 4.973 9.663 -14.010 120 HG SER 15 HG SER 15 5.978 7.267 -14.329 121 H VAL 16 H VAL 16 6.993 9.690 -10.391 122 HA VAL 16 HA VAL 16 9.471 8.148 -10.466 123 HB VAL 16 HB VAL 16 7.988 9.312 -8.105 124 HG11 VAL 16 1HG1 VAL 16 10.517 8.938 -7.250 125 HG12 VAL 16 2HG1 VAL 16 9.218 7.767 -7.013 126 HG13 VAL 16 3HG1 VAL 16 10.352 7.570 -8.349 127 HG21 VAL 16 3HG2 VAL 16 8.877 11.253 -8.729 128 HG22 VAL 16 1HG2 VAL 16 10.470 10.557 -8.430 129 HG23 VAL 16 2HG2 VAL 16 9.765 10.485 -10.045 130 H THR 17 H THR 17 9.590 6.033 -10.042 131 HA THR 17 HA THR 17 7.366 4.704 -8.678 132 HB THR 17 HB THR 17 7.697 2.801 -10.439 133 HG1 THR 17 HG1 THR 17 8.222 4.994 -12.144 134 HG21 THR 17 3HG2 THR 17 5.659 3.387 -11.179 135 HG22 THR 17 1HG2 THR 17 6.222 4.951 -11.766 136 HG23 THR 17 2HG2 THR 17 5.802 4.747 -10.065 137 H THR 18 H THR 18 8.661 4.307 -6.902 138 HA THR 18 HA THR 18 10.103 1.956 -6.791 139 HB THR 18 HB THR 18 11.880 2.760 -8.091 140 HG1 THR 18 HG1 THR 18 12.768 1.875 -6.255 141 HG21 THR 18 3HG2 THR 18 12.903 5.079 -7.046 142 HG22 THR 18 1HG2 THR 18 11.165 5.335 -6.900 143 HG23 THR 18 2HG2 THR 18 11.874 4.973 -8.474 144 H LEU 19 H LEU 19 9.558 5.160 -5.548 145 HA LEU 19 HA LEU 19 10.503 4.502 -2.891 146 HB2 LEU 19 2HB LEU 19 9.688 6.898 -4.333 147 HB3 LEU 19 3HB LEU 19 9.074 6.848 -2.682 148 HG LEU 19 HG LEU 19 11.205 8.082 -2.908 149 HD11 LEU 19 1HD1 LEU 19 10.821 7.314 -0.750 150 HD12 LEU 19 2HD1 LEU 19 12.428 6.690 -1.119 151 HD13 LEU 19 3HD1 LEU 19 11.027 5.623 -1.208 152 HD21 LEU 19 3HD2 LEU 19 13.263 6.878 -3.341 153 HD22 LEU 19 1HD2 LEU 19 12.168 6.716 -4.714 154 HD23 LEU 19 2HD2 LEU 19 12.365 5.379 -3.581 155 H SER 20 H SER 20 9.199 4.398 -1.030 156 HA SER 20 HA SER 20 6.322 4.013 -1.507 157 HB2 SER 20 2HB SER 20 6.945 2.240 0.544 158 HB3 SER 20 3HB SER 20 6.593 1.814 -1.131 159 HG SER 20 HG SER 20 8.791 1.855 -1.570 160 H GLU 21 H GLU 21 5.082 3.970 0.604 161 HA GLU 21 HA GLU 21 5.486 6.361 1.991 162 HB2 GLU 21 2HB GLU 21 3.947 3.989 3.044 163 HB3 GLU 21 3HB GLU 21 3.688 5.687 3.420 164 HG2 GLU 21 2HG GLU 21 3.077 6.046 1.030 165 HG3 GLU 21 3HG GLU 21 3.163 4.300 0.804 166 H ASP 22 H ASP 22 6.861 3.246 2.454 167 HA ASP 22 HA ASP 22 7.508 3.466 5.209 168 HB2 ASP 22 2HB ASP 22 7.529 1.393 3.579 169 HB3 ASP 22 3HB ASP 22 9.204 1.876 3.327 170 H ASP 23 H ASP 23 8.646 5.112 2.521 171 HA ASP 23 HA ASP 23 11.270 5.627 3.732 172 HB2 ASP 23 2HB ASP 23 10.357 6.566 1.017 173 HB3 ASP 23 3HB ASP 23 12.005 6.402 1.616 174 H THR 24 H THR 24 11.485 8.155 2.224 175 HA THR 24 HA THR 24 9.590 9.851 3.691 176 HB THR 24 HB THR 24 11.898 11.349 3.755 177 HG1 THR 24 HG1 THR 24 13.564 10.056 4.275 178 HG21 THR 24 3HG2 THR 24 11.442 9.665 6.127 179 HG22 THR 24 1HG2 THR 24 10.020 10.514 5.524 180 HG23 THR 24 2HG2 THR 24 11.464 11.422 5.971 181 H VAL 25 H VAL 25 9.717 12.168 2.923 182 HA VAL 25 HA VAL 25 9.296 12.269 0.143 183 HB VAL 25 HB VAL 25 9.755 14.520 2.104 184 HG11 VAL 25 1HG1 VAL 25 10.181 15.535 0.066 185 HG12 VAL 25 2HG1 VAL 25 9.030 14.515 -0.799 186 HG13 VAL 25 3HG1 VAL 25 8.449 15.796 0.265 187 HG21 VAL 25 3HG2 VAL 25 7.229 14.741 1.770 188 HG22 VAL 25 1HG2 VAL 25 7.304 13.117 1.085 189 HG23 VAL 25 2HG2 VAL 25 7.803 13.394 2.754 190 H LEU 26 H LEU 26 12.038 13.272 2.146 191 HA LEU 26 HA LEU 26 13.553 14.484 0.118 192 HB2 LEU 26 2HB LEU 26 15.127 14.753 1.700 193 HB3 LEU 26 3HB LEU 26 13.827 14.245 2.776 194 HG LEU 26 HG LEU 26 14.848 11.851 2.302 195 HD11 LEU 26 1HD1 LEU 26 17.028 11.743 1.671 196 HD12 LEU 26 2HD1 LEU 26 17.406 13.350 2.291 197 HD13 LEU 26 3HD1 LEU 26 16.552 13.175 0.757 198 HD21 LEU 26 3HD2 LEU 26 16.259 13.735 4.177 199 HD22 LEU 26 1HD2 LEU 26 15.987 12.003 4.369 200 HD23 LEU 26 2HD2 LEU 26 14.630 13.124 4.472 201 H ASP 27 H ASP 27 13.072 11.149 0.981 202 HA ASP 27 HA ASP 27 15.318 10.107 -0.433 203 HB2 ASP 27 2HB ASP 27 13.548 9.072 1.375 204 HB3 ASP 27 3HB ASP 27 12.988 8.336 -0.124 205 H LEU 28 H LEU 28 12.012 10.881 -1.273 206 HA LEU 28 HA LEU 28 12.124 9.554 -3.829 207 HB2 LEU 28 2HB LEU 28 10.066 10.079 -2.313 208 HB3 LEU 28 3HB LEU 28 10.104 11.641 -3.128 209 HG LEU 28 HG LEU 28 10.159 9.320 -4.928 210 HD11 LEU 28 1HD1 LEU 28 8.602 8.764 -2.907 211 HD12 LEU 28 2HD1 LEU 28 8.051 8.486 -4.558 212 HD13 LEU 28 3HD1 LEU 28 7.518 9.920 -3.681 213 HD21 LEU 28 3HD2 LEU 28 8.151 11.519 -4.977 214 HD22 LEU 28 1HD2 LEU 28 8.969 10.706 -6.311 215 HD23 LEU 28 2HD2 LEU 28 9.836 11.895 -5.338 216 H LYS 29 H LYS 29 12.091 12.930 -2.711 217 HA LYS 29 HA LYS 29 12.321 14.120 -5.244 218 HB2 LYS 29 2HB LYS 29 12.716 14.978 -2.437 219 HB3 LYS 29 3HB LYS 29 13.524 15.947 -3.663 220 HG2 LYS 29 2HG LYS 29 11.550 17.055 -3.574 221 HG3 LYS 29 3HG LYS 29 11.128 15.846 -4.789 222 HD2 LYS 29 2HD LYS 29 10.705 15.073 -1.968 223 HD3 LYS 29 3HD LYS 29 9.642 16.332 -2.602 224 HE2 LYS 29 2HE LYS 29 9.866 14.252 -4.540 225 HE3 LYS 29 3HE LYS 29 9.476 13.531 -2.980 226 HZ1 LYS 29 3HZ LYS 29 7.629 14.466 -4.598 227 HZ2 LYS 29 1HZ LYS 29 7.968 15.902 -3.768 228 HZ3 LYS 29 2HZ LYS 29 7.461 14.532 -2.915 229 H GLN 30 H GLN 30 14.849 13.529 -2.796 230 HA GLN 30 HA GLN 30 17.019 14.362 -4.333 231 HB2 GLN 30 2HB GLN 30 18.369 13.486 -2.676 232 HB3 GLN 30 3HB GLN 30 16.849 13.687 -1.814 233 HG2 GLN 30 2HG GLN 30 17.300 11.580 -1.161 234 HG3 GLN 30 3HG GLN 30 16.502 11.192 -2.684 235 HE21 GLN 30 1HE2 GLN 30 19.732 12.081 -1.506 236 HE22 GLN 30 2HE2 GLN 30 20.585 10.920 -2.459 237 H PHE 31 H PHE 31 15.123 11.498 -4.527 238 HA PHE 31 HA PHE 31 17.085 9.912 -5.899 239 HB2 PHE 31 2HB PHE 31 15.408 8.740 -4.650 240 HB3 PHE 31 3HB PHE 31 14.111 9.583 -5.491 241 HD1 PHE 31 HD2 PHE 31 16.625 6.937 -5.720 242 HD2 PHE 31 HD1 PHE 31 13.433 8.931 -7.707 243 HE1 PHE 31 HE2 PHE 31 16.521 5.116 -7.372 244 HE2 PHE 31 HE1 PHE 31 13.322 7.113 -9.361 245 HZ PHE 31 HZ PHE 31 14.868 5.203 -9.196 246 H LEU 32 H LEU 32 14.042 11.476 -6.903 247 HA LEU 32 HA LEU 32 14.437 10.986 -9.667 248 HB2 LEU 32 2HB LEU 32 12.645 12.714 -9.953 249 HB3 LEU 32 3HB LEU 32 12.225 11.349 -8.919 250 HG LEU 32 HG LEU 32 13.055 13.090 -7.049 251 HD11 LEU 32 1HD1 LEU 32 12.576 14.661 -9.459 252 HD12 LEU 32 2HD1 LEU 32 13.395 15.099 -7.960 253 HD13 LEU 32 3HD1 LEU 32 11.638 15.199 -8.066 254 HD21 LEU 32 3HD2 LEU 32 10.662 13.643 -6.732 255 HD22 LEU 32 1HD2 LEU 32 10.950 11.923 -6.994 256 HD23 LEU 32 2HD2 LEU 32 10.319 12.920 -8.304 257 H LYS 33 H LYS 33 15.075 13.773 -7.584 258 HA LYS 33 HA LYS 33 15.798 15.637 -9.508 259 HB2 LYS 33 2HB LYS 33 15.941 16.795 -7.601 260 HB3 LYS 33 3HB LYS 33 16.101 15.322 -6.653 261 HG2 LYS 33 2HG LYS 33 18.449 16.413 -8.144 262 HG3 LYS 33 3HG LYS 33 17.981 17.095 -6.585 263 HD2 LYS 33 2HD LYS 33 18.633 15.255 -5.436 264 HD3 LYS 33 3HD LYS 33 18.144 14.149 -6.722 265 HE2 LYS 33 2HE LYS 33 20.338 13.915 -7.099 266 HE3 LYS 33 3HE LYS 33 20.225 15.492 -7.879 267 HZ1 LYS 33 3HZ LYS 33 21.202 14.837 -5.174 268 HZ2 LYS 33 1HZ LYS 33 20.649 16.395 -5.533 269 HZ3 LYS 33 2HZ LYS 33 21.957 15.744 -6.386 270 H THR 34 H THR 34 17.525 12.863 -8.333 271 HA THR 34 HA THR 34 20.080 13.676 -9.380 272 HB THR 34 HB THR 34 19.359 11.846 -7.500 273 HG1 THR 34 HG1 THR 34 21.759 11.570 -8.991 274 HG21 THR 34 3HG2 THR 34 18.588 10.365 -9.437 275 HG22 THR 34 1HG2 THR 34 19.675 9.638 -8.254 276 HG23 THR 34 2HG2 THR 34 20.300 10.171 -9.815 277 H LEU 35 H LEU 35 17.286 12.043 -10.580 278 HA LEU 35 HA LEU 35 18.602 10.705 -12.749 279 HB2 LEU 35 2HB LEU 35 15.681 11.378 -12.650 280 HB3 LEU 35 3HB LEU 35 16.470 10.014 -13.438 281 HG LEU 35 HG LEU 35 16.165 10.384 -10.458 282 HD11 LEU 35 1HD1 LEU 35 14.171 9.749 -12.127 283 HD12 LEU 35 2HD1 LEU 35 14.324 9.075 -10.505 284 HD13 LEU 35 3HD1 LEU 35 14.880 8.150 -11.899 285 HD21 LEU 35 3HD2 LEU 35 17.163 7.996 -12.002 286 HD22 LEU 35 1HD2 LEU 35 17.071 8.174 -10.250 287 HD23 LEU 35 2HD2 LEU 35 18.205 9.156 -11.177 288 H THR 36 H THR 36 16.286 13.421 -12.659 289 HA THR 36 HA THR 36 17.705 14.607 -14.941 290 HB THR 36 HB THR 36 15.801 13.538 -15.947 291 HG1 THR 36 HG1 THR 36 16.304 15.758 -16.563 292 HG21 THR 36 3HG2 THR 36 13.996 15.074 -14.087 293 HG22 THR 36 1HG2 THR 36 14.492 13.410 -13.782 294 HG23 THR 36 2HG2 THR 36 13.555 13.801 -15.224 295 H GLY 37 H GLY 37 15.762 14.977 -12.075 296 HA2 GLY 37 2HA GLY 37 15.282 17.750 -12.213 297 HA3 GLY 37 3HA GLY 37 15.311 16.790 -10.741 298 H VAL 38 H VAL 38 16.194 19.098 -10.192 299 HA VAL 38 HA VAL 38 19.124 19.063 -10.502 300 HB VAL 38 HB VAL 38 18.405 21.086 -11.433 301 HG11 VAL 38 1HG1 VAL 38 16.286 20.897 -9.415 302 HG12 VAL 38 2HG1 VAL 38 16.872 22.534 -9.717 303 HG13 VAL 38 3HG1 VAL 38 16.244 21.561 -11.048 304 HG21 VAL 38 3HG2 VAL 38 20.216 21.363 -9.794 305 HG22 VAL 38 1HG2 VAL 38 19.215 22.809 -9.924 306 HG23 VAL 38 2HG2 VAL 38 19.021 21.722 -8.548 307 H LEU 39 H LEU 39 20.409 19.083 -8.726 308 HA LEU 39 HA LEU 39 19.505 18.106 -6.300 309 HB2 LEU 39 2HB LEU 39 21.723 19.191 -5.442 310 HB3 LEU 39 3HB LEU 39 21.756 17.830 -6.561 311 HG LEU 39 HG LEU 39 23.367 19.777 -6.976 312 HD11 LEU 39 1HD1 LEU 39 22.082 19.582 -9.517 313 HD12 LEU 39 2HD1 LEU 39 21.990 18.024 -8.697 314 HD13 LEU 39 3HD1 LEU 39 23.555 18.795 -8.952 315 HD21 LEU 39 3HD2 LEU 39 20.813 21.011 -8.002 316 HD22 LEU 39 1HD2 LEU 39 22.441 21.633 -8.277 317 HD23 LEU 39 2HD2 LEU 39 21.778 21.590 -6.643 318 HA PRO 40 HA PRO 40 17.734 21.498 -4.140 319 HB2 PRO 40 2HB PRO 40 18.282 20.783 -1.579 320 HB3 PRO 40 3HB PRO 40 17.060 19.969 -2.563 321 HG2 PRO 40 2HG PRO 40 19.876 19.141 -1.972 322 HG3 PRO 40 3HG PRO 40 18.402 18.155 -2.001 323 HD2 PRO 40 2HD PRO 40 20.165 18.200 -4.056 324 HD3 PRO 40 3HD PRO 40 18.422 17.966 -4.298 325 H GLU 41 H GLU 41 21.093 20.697 -3.730 326 HA GLU 41 HA GLU 41 21.958 22.689 -2.009 327 HB2 GLU 41 2HB GLU 41 23.412 20.889 -2.799 328 HB3 GLU 41 3HB GLU 41 23.383 21.559 -4.424 329 HG2 GLU 41 2HG GLU 41 25.452 22.063 -3.171 330 HG3 GLU 41 3HG GLU 41 24.587 23.498 -3.721 331 H ARG 42 H ARG 42 21.273 22.849 -5.462 332 HA ARG 42 HA ARG 42 21.894 25.720 -5.439 333 HB2 ARG 42 2HB ARG 42 21.857 23.624 -7.558 334 HB3 ARG 42 3HB ARG 42 21.477 25.276 -8.027 335 HG2 ARG 42 2HG ARG 42 23.711 25.343 -8.355 336 HG3 ARG 42 3HG ARG 42 23.695 25.757 -6.639 337 HD2 ARG 42 2HD ARG 42 23.857 23.206 -6.263 338 HD3 ARG 42 3HD ARG 42 24.370 23.148 -7.949 339 HE ARG 42 HE ARG 42 25.999 25.019 -6.898 340 HH11 ARG 42 1HH1 ARG 42 25.165 21.786 -5.912 341 HH12 ARG 42 2HH1 ARG 42 26.698 21.478 -5.166 342 HH21 ARG 42 1HH2 ARG 42 28.022 24.625 -5.919 343 HH22 ARG 42 2HH2 ARG 42 28.322 23.094 -5.169 344 H GLN 43 H GLN 43 19.371 23.387 -6.255 345 HA GLN 43 HA GLN 43 17.484 25.559 -6.768 346 HB2 GLN 43 2HB GLN 43 16.168 24.044 -7.899 347 HB3 GLN 43 3HB GLN 43 17.765 23.360 -8.173 348 HG2 GLN 43 2HG GLN 43 16.431 21.538 -7.606 349 HG3 GLN 43 3HG GLN 43 17.318 21.914 -6.129 350 HE21 GLN 43 1HE2 GLN 43 14.457 23.416 -7.571 351 HE22 GLN 43 2HE2 GLN 43 13.419 23.153 -6.215 352 H LYS 44 H LYS 44 15.380 25.553 -5.744 353 HA LYS 44 HA LYS 44 15.363 24.266 -3.096 354 HB2 LYS 44 2HB LYS 44 14.327 26.293 -2.162 355 HB3 LYS 44 3HB LYS 44 15.932 26.618 -2.805 356 HG2 LYS 44 2HG LYS 44 14.797 28.411 -3.630 357 HG3 LYS 44 3HG LYS 44 14.576 27.272 -4.961 358 HD2 LYS 44 2HD LYS 44 12.363 27.224 -4.667 359 HD3 LYS 44 3HD LYS 44 12.528 26.982 -2.926 360 HE2 LYS 44 2HE LYS 44 11.385 29.028 -3.180 361 HE3 LYS 44 3HE LYS 44 13.046 29.458 -2.774 362 HZ1 LYS 44 3HZ LYS 44 13.450 30.253 -4.858 363 HZ2 LYS 44 1HZ LYS 44 11.801 30.615 -4.740 364 HZ3 LYS 44 2HZ LYS 44 12.308 29.252 -5.603 365 H LEU 45 H LEU 45 13.437 23.436 -2.411 366 HA LEU 45 HA LEU 45 11.479 22.828 -4.356 367 HB2 LEU 45 2HB LEU 45 11.567 22.521 -1.369 368 HB3 LEU 45 3HB LEU 45 10.172 22.019 -2.322 369 HG LEU 45 HG LEU 45 11.490 20.086 -1.873 370 HD11 LEU 45 1HD1 LEU 45 11.264 19.282 -3.936 371 HD12 LEU 45 2HD1 LEU 45 12.496 20.367 -4.580 372 HD13 LEU 45 3HD1 LEU 45 10.830 20.921 -4.422 373 HD21 LEU 45 3HD2 LEU 45 13.592 21.335 -1.379 374 HD22 LEU 45 1HD2 LEU 45 13.851 21.488 -3.117 375 HD23 LEU 45 2HD2 LEU 45 13.823 19.892 -2.367 376 H LEU 46 H LEU 46 9.553 23.734 -4.837 377 HA LEU 46 HA LEU 46 9.033 26.391 -3.844 378 HB2 LEU 46 2HB LEU 46 7.677 24.643 -5.881 379 HB3 LEU 46 3HB LEU 46 7.063 26.232 -5.430 380 HG LEU 46 HG LEU 46 9.454 27.035 -6.109 381 HD11 LEU 46 1HD1 LEU 46 9.651 24.290 -6.689 382 HD12 LEU 46 2HD1 LEU 46 10.812 25.565 -7.060 383 HD13 LEU 46 3HD1 LEU 46 9.574 25.130 -8.238 384 HD21 LEU 46 3HD2 LEU 46 8.619 27.092 -8.541 385 HD22 LEU 46 1HD2 LEU 46 7.642 27.880 -7.303 386 HD23 LEU 46 2HD2 LEU 46 7.178 26.292 -7.913 387 H GLY 47 H GLY 47 6.957 23.497 -4.150 388 HA2 GLY 47 2HA GLY 47 5.384 24.488 -1.874 389 HA3 GLY 47 3HA GLY 47 4.851 23.291 -3.045 390 H LEU 48 H LEU 48 7.591 23.657 -0.787 391 HA LEU 48 HA LEU 48 7.943 20.914 -0.343 392 HB2 LEU 48 2HB LEU 48 9.255 21.568 1.602 393 HB3 LEU 48 3HB LEU 48 9.644 22.558 0.197 394 HG LEU 48 HG LEU 48 7.904 24.205 1.310 395 HD11 LEU 48 1HD1 LEU 48 8.263 24.119 3.809 396 HD12 LEU 48 2HD1 LEU 48 8.841 22.469 3.579 397 HD13 LEU 48 3HD1 LEU 48 7.187 22.893 3.137 398 HD21 LEU 48 3HD2 LEU 48 10.599 24.147 1.016 399 HD22 LEU 48 1HD2 LEU 48 10.452 24.256 2.770 400 HD23 LEU 48 2HD2 LEU 48 9.702 25.480 1.744 401 H LYS 49 H LYS 49 5.528 23.041 0.767 402 HA LYS 49 HA LYS 49 4.714 21.116 2.844 403 HB2 LYS 49 2HB LYS 49 3.214 23.335 3.357 404 HB3 LYS 49 3HB LYS 49 4.740 22.956 4.144 405 HG2 LYS 49 2HG LYS 49 5.940 24.367 2.608 406 HG3 LYS 49 3HG LYS 49 4.470 24.660 1.676 407 HD2 LYS 49 2HD LYS 49 3.575 25.481 4.027 408 HD3 LYS 49 3HD LYS 49 5.296 25.738 4.325 409 HE2 LYS 49 2HE LYS 49 3.850 26.803 1.907 410 HE3 LYS 49 3HE LYS 49 4.041 27.717 3.402 411 HZ1 LYS 49 3HZ LYS 49 6.530 26.662 2.545 412 HZ2 LYS 49 1HZ LYS 49 6.091 28.273 2.823 413 HZ3 LYS 49 2HZ LYS 49 5.823 27.573 1.307 414 H VAL 50 H VAL 50 2.610 20.370 2.885 415 HA VAL 50 HA VAL 50 0.760 21.287 0.817 416 HB VAL 50 HB VAL 50 2.034 19.388 -0.162 417 HG11 VAL 50 1HG1 VAL 50 2.010 18.286 2.279 418 HG12 VAL 50 2HG1 VAL 50 0.635 17.441 1.567 419 HG13 VAL 50 3HG1 VAL 50 2.222 17.348 0.801 420 HG21 VAL 50 3HG2 VAL 50 0.204 18.869 -1.328 421 HG22 VAL 50 1HG2 VAL 50 -0.564 18.123 0.074 422 HG23 VAL 50 2HG2 VAL 50 -0.696 19.863 -0.182 423 H LYS 51 H LYS 51 -1.398 20.971 1.303 424 HA LYS 51 HA LYS 51 -3.214 20.821 2.668 425 HB2 LYS 51 2HB LYS 51 -1.737 18.371 3.649 426 HB3 LYS 51 3HB LYS 51 -3.431 18.724 3.964 427 HG2 LYS 51 2HG LYS 51 -2.194 18.246 1.260 428 HG3 LYS 51 3HG LYS 51 -3.196 17.110 2.168 429 HD2 LYS 51 2HD LYS 51 -4.676 19.480 2.047 430 HD3 LYS 51 3HD LYS 51 -3.986 19.276 0.436 431 HE2 LYS 51 2HE LYS 51 -5.049 17.235 0.105 432 HE3 LYS 51 3HE LYS 51 -5.299 16.976 1.831 433 HZ1 LYS 51 3HZ LYS 51 -7.189 17.845 0.150 434 HZ2 LYS 51 1HZ LYS 51 -6.605 19.318 0.744 435 HZ3 LYS 51 2HZ LYS 51 -7.193 18.148 1.815 436 H GLY 52 H GLY 52 -0.987 22.432 3.585 437 HA2 GLY 52 2HA GLY 52 -0.750 23.789 5.460 438 HA3 GLY 52 3HA GLY 52 -1.822 22.710 6.342 439 H LYS 53 H LYS 53 0.143 20.541 5.167 440 HA LYS 53 HA LYS 53 1.740 20.414 7.566 441 HB2 LYS 53 2HB LYS 53 1.484 18.598 5.169 442 HB3 LYS 53 3HB LYS 53 2.589 18.277 6.500 443 HG2 LYS 53 2HG LYS 53 -0.399 18.557 6.758 444 HG3 LYS 53 3HG LYS 53 0.484 17.030 6.690 445 HD2 LYS 53 2HD LYS 53 1.769 18.482 8.679 446 HD3 LYS 53 3HD LYS 53 0.055 18.827 8.924 447 HE2 LYS 53 2HE LYS 53 -0.398 16.399 8.907 448 HE3 LYS 53 3HE LYS 53 1.332 16.098 8.749 449 HZ1 LYS 53 3HZ LYS 53 -0.193 16.721 11.082 450 HZ2 LYS 53 1HZ LYS 53 1.125 17.767 10.901 451 HZ3 LYS 53 2HZ LYS 53 1.373 16.095 10.957 452 HA PRO 54 HA PRO 54 5.441 22.210 6.024 453 HB2 PRO 54 2HB PRO 54 7.291 20.832 7.456 454 HB3 PRO 54 3HB PRO 54 6.249 22.068 8.170 455 HG2 PRO 54 2HG PRO 54 5.962 19.088 8.220 456 HG3 PRO 54 3HG PRO 54 5.723 20.258 9.532 457 HD2 PRO 54 2HD PRO 54 3.661 19.186 8.142 458 HD3 PRO 54 3HD PRO 54 3.613 20.833 8.804 459 H ALA 55 H ALA 55 5.193 18.691 6.041 460 HA ALA 55 HA ALA 55 6.320 17.086 4.823 461 HB1 ALA 55 1HB ALA 55 5.219 19.049 2.841 462 HB2 ALA 55 2HB ALA 55 6.018 17.565 2.322 463 HB3 ALA 55 3HB ALA 55 4.572 17.482 3.327 464 H GLU 56 H GLU 56 8.211 18.767 5.936 465 HA GLU 56 HA GLU 56 10.001 19.963 4.152 466 HB2 GLU 56 2HB GLU 56 10.141 20.366 6.537 467 HB3 GLU 56 3HB GLU 56 10.509 18.673 6.837 468 HG2 GLU 56 2HG GLU 56 12.658 19.162 6.711 469 HG3 GLU 56 3HG GLU 56 12.435 19.568 5.010 470 H ASN 57 H ASN 57 10.862 17.014 5.923 471 HA ASN 57 HA ASN 57 11.442 15.563 3.500 472 HB2 ASN 57 2HB ASN 57 13.892 15.230 4.509 473 HB3 ASN 57 3HB ASN 57 13.518 16.520 3.370 474 HD21 ASN 57 1HD2 ASN 57 14.643 18.231 3.947 475 HD22 ASN 57 2HD2 ASN 57 14.767 18.872 5.547 476 H ASP 58 H ASP 58 11.721 15.788 7.008 477 HA ASP 58 HA ASP 58 12.176 13.047 7.503 478 HB2 ASP 58 2HB ASP 58 12.630 14.721 9.205 479 HB3 ASP 58 3HB ASP 58 10.928 15.171 9.258 480 H VAL 59 H VAL 59 9.480 14.603 6.280 481 HA VAL 59 HA VAL 59 7.459 12.945 7.484 482 HB VAL 59 HB VAL 59 7.181 14.613 4.987 483 HG11 VAL 59 1HG1 VAL 59 5.192 13.619 7.024 484 HG12 VAL 59 2HG1 VAL 59 4.816 14.732 5.706 485 HG13 VAL 59 3HG1 VAL 59 5.348 13.088 5.349 486 HG21 VAL 59 3HG2 VAL 59 6.100 16.064 7.075 487 HG22 VAL 59 1HG2 VAL 59 7.609 15.438 7.738 488 HG23 VAL 59 2HG2 VAL 59 7.627 16.394 6.257 489 H LYS 60 H LYS 60 6.332 11.256 6.541 490 HA LYS 60 HA LYS 60 7.796 9.819 4.473 491 HB2 LYS 60 2HB LYS 60 5.486 9.012 6.247 492 HB3 LYS 60 3HB LYS 60 6.210 7.960 5.038 493 HG2 LYS 60 2HG LYS 60 8.419 8.424 6.293 494 HG3 LYS 60 3HG LYS 60 7.368 8.959 7.606 495 HD2 LYS 60 2HD LYS 60 6.160 6.682 7.182 496 HD3 LYS 60 3HD LYS 60 7.687 6.236 6.416 497 HE2 LYS 60 2HE LYS 60 8.063 5.550 8.576 498 HE3 LYS 60 3HE LYS 60 8.723 7.184 8.624 499 HZ1 LYS 60 3HZ LYS 60 6.639 7.958 9.573 500 HZ2 LYS 60 1HZ LYS 60 7.320 6.744 10.536 501 HZ3 LYS 60 2HZ LYS 60 6.008 6.389 9.529 502 H LEU 61 H LEU 61 6.800 8.984 2.587 503 HA LEU 61 HA LEU 61 5.292 10.734 1.101 504 HB2 LEU 61 2HB LEU 61 5.126 7.756 0.743 505 HB3 LEU 61 3HB LEU 61 5.005 9.010 -0.490 506 HG LEU 61 HG LEU 61 7.498 8.185 0.996 507 HD11 LEU 61 1HD1 LEU 61 6.486 6.735 -0.893 508 HD12 LEU 61 2HD1 LEU 61 8.201 7.142 -0.946 509 HD13 LEU 61 3HD1 LEU 61 7.055 8.022 -1.957 510 HD21 LEU 61 3HD2 LEU 61 6.890 10.476 -0.817 511 HD22 LEU 61 1HD2 LEU 61 8.486 9.728 -0.867 512 HD23 LEU 61 2HD2 LEU 61 7.886 10.424 0.638 513 H GLY 62 H GLY 62 4.126 7.920 2.941 514 HA2 GLY 62 2HA GLY 62 1.373 8.452 2.304 515 HA3 GLY 62 3HA GLY 62 1.969 7.257 3.446 516 H ALA 63 H ALA 63 3.544 9.769 4.533 517 HA ALA 63 HA ALA 63 1.643 10.300 6.628 518 HB1 ALA 63 1HB ALA 63 3.427 11.619 7.636 519 HB2 ALA 63 2HB ALA 63 4.023 10.039 7.127 520 HB3 ALA 63 3HB ALA 63 4.384 11.470 6.161 521 H LEU 64 H LEU 64 2.866 11.965 3.804 522 HA LEU 64 HA LEU 64 1.758 14.516 4.515 523 HB2 LEU 64 2HB LEU 64 2.383 13.834 1.694 524 HB3 LEU 64 3HB LEU 64 2.699 15.316 2.593 525 HG LEU 64 HG LEU 64 4.273 13.127 3.627 526 HD11 LEU 64 1HD1 LEU 64 4.976 13.850 0.810 527 HD12 LEU 64 2HD1 LEU 64 3.917 12.483 1.154 528 HD13 LEU 64 3HD1 LEU 64 5.559 12.511 1.798 529 HD21 LEU 64 3HD2 LEU 64 6.042 14.700 3.427 530 HD22 LEU 64 1HD2 LEU 64 4.606 15.600 3.913 531 HD23 LEU 64 2HD2 LEU 64 5.152 15.649 2.236 532 H LYS 65 H LYS 65 0.621 11.662 2.946 533 HA LYS 65 HA LYS 65 -1.413 11.064 2.121 534 HB2 LYS 65 2HB LYS 65 -2.461 13.663 3.242 535 HB3 LYS 65 3HB LYS 65 -3.368 12.191 2.916 536 HG2 LYS 65 2HG LYS 65 -1.190 12.419 4.981 537 HG3 LYS 65 3HG LYS 65 -2.914 12.588 5.319 538 HD2 LYS 65 2HD LYS 65 -3.332 10.328 4.632 539 HD3 LYS 65 3HD LYS 65 -1.673 10.146 4.057 540 HE2 LYS 65 2HE LYS 65 -1.422 9.160 6.083 541 HE3 LYS 65 3HE LYS 65 -1.164 10.830 6.586 542 HZ1 LYS 65 3HZ LYS 65 -3.437 10.974 7.291 543 HZ2 LYS 65 1HZ LYS 65 -2.735 9.615 8.015 544 HZ3 LYS 65 2HZ LYS 65 -3.779 9.427 6.697 545 H LEU 66 H LEU 66 0.389 12.464 0.438 546 HA LEU 66 HA LEU 66 -1.235 14.295 -1.136 547 HB2 LEU 66 2HB LEU 66 1.603 13.668 -0.871 548 HB3 LEU 66 3HB LEU 66 1.089 13.886 -2.542 549 HG LEU 66 HG LEU 66 0.724 15.905 -0.330 550 HD11 LEU 66 1HD1 LEU 66 2.873 15.431 -2.312 551 HD12 LEU 66 2HD1 LEU 66 2.956 16.110 -0.687 552 HD13 LEU 66 3HD1 LEU 66 2.383 17.102 -2.027 553 HD21 LEU 66 3HD2 LEU 66 0.518 17.132 -2.812 554 HD22 LEU 66 1HD2 LEU 66 -0.799 16.783 -1.692 555 HD23 LEU 66 2HD2 LEU 66 -0.410 15.641 -2.978 556 H LYS 67 H LYS 67 -1.667 13.978 -3.370 557 HA LYS 67 HA LYS 67 -2.501 11.344 -4.016 558 HB2 LYS 67 2HB LYS 67 -2.582 14.004 -5.307 559 HB3 LYS 67 3HB LYS 67 -2.635 12.624 -6.397 560 HG2 LYS 67 2HG LYS 67 -4.780 12.318 -5.959 561 HG3 LYS 67 3HG LYS 67 -4.439 12.170 -4.233 562 HD2 LYS 67 2HD LYS 67 -4.678 14.825 -5.631 563 HD3 LYS 67 3HD LYS 67 -6.057 14.000 -4.902 564 HE2 LYS 67 2HE LYS 67 -3.711 14.213 -3.158 565 HE3 LYS 67 3HE LYS 67 -4.418 15.762 -3.615 566 HZ1 LYS 67 3HZ LYS 67 -5.902 13.495 -2.398 567 HZ2 LYS 67 1HZ LYS 67 -6.551 15.005 -2.800 568 HZ3 LYS 67 2HZ LYS 67 -5.390 14.882 -1.576 569 HA PRO 68 HA PRO 68 0.937 9.615 -6.122 570 HB2 PRO 68 2HB PRO 68 -0.229 8.354 -8.224 571 HB3 PRO 68 3HB PRO 68 -0.370 7.777 -6.559 572 HG2 PRO 68 2HG PRO 68 -2.311 9.380 -8.178 573 HG3 PRO 68 3HG PRO 68 -2.620 8.007 -7.100 574 HD2 PRO 68 2HD PRO 68 -3.041 10.574 -6.347 575 HD3 PRO 68 3HD PRO 68 -2.532 9.315 -5.204 576 H ASN 69 H ASN 69 -1.313 11.421 -8.169 577 HA ASN 69 HA ASN 69 0.603 11.787 -10.280 578 HB2 ASN 69 2HB ASN 69 -2.134 12.933 -9.739 579 HB3 ASN 69 3HB ASN 69 -1.158 13.447 -11.111 580 HD21 ASN 69 1HD2 ASN 69 -3.587 11.485 -10.251 581 HD22 ASN 69 2HD2 ASN 69 -3.425 10.248 -11.446 582 H THR 70 H THR 70 -0.022 13.284 -7.299 583 HA THR 70 HA THR 70 0.336 15.910 -7.426 584 HB THR 70 HB THR 70 1.947 14.041 -5.684 585 HG1 THR 70 HG1 THR 70 -0.357 15.620 -5.109 586 HG21 THR 70 3HG2 THR 70 3.180 16.006 -5.526 587 HG22 THR 70 1HG2 THR 70 2.025 16.172 -4.205 588 HG23 THR 70 2HG2 THR 70 1.759 17.031 -5.722 589 H LYS 71 H LYS 71 1.585 17.285 -8.494 590 HA LYS 71 HA LYS 71 4.081 16.333 -9.672 591 HB2 LYS 71 2HB LYS 71 2.799 19.027 -10.103 592 HB3 LYS 71 3HB LYS 71 3.962 18.204 -11.134 593 HG2 LYS 71 2HG LYS 71 2.189 17.606 -12.343 594 HG3 LYS 71 3HG LYS 71 1.894 16.420 -11.069 595 HD2 LYS 71 2HD LYS 71 0.155 17.595 -10.190 596 HD3 LYS 71 3HD LYS 71 0.845 19.158 -10.634 597 HE2 LYS 71 2HE LYS 71 0.321 18.535 -13.040 598 HE3 LYS 71 3HE LYS 71 -0.637 17.210 -12.382 599 HZ1 LYS 71 3HZ LYS 71 -1.313 19.615 -11.073 600 HZ2 LYS 71 1HZ LYS 71 -2.298 18.602 -12.003 601 HZ3 LYS 71 2HZ LYS 71 -1.422 19.844 -12.745 602 H ILE 72 H ILE 72 6.070 17.330 -9.355 603 HA ILE 72 HA ILE 72 6.210 19.106 -7.006 604 HB ILE 72 HB ILE 72 8.368 17.219 -7.950 605 HG12 ILE 72 2HG1 ILE 72 6.446 15.932 -7.178 606 HG13 ILE 72 3HG1 ILE 72 7.751 15.831 -6.000 607 HG21 ILE 72 1HG2 ILE 72 9.090 17.668 -5.494 608 HG22 ILE 72 2HG2 ILE 72 9.447 18.863 -6.739 609 HG23 ILE 72 3HG2 ILE 72 8.081 19.106 -5.651 610 HD11 ILE 72 3HD1 ILE 72 6.641 17.450 -4.591 611 HD12 ILE 72 1HD1 ILE 72 5.362 17.648 -5.789 612 HD13 ILE 72 2HD1 ILE 72 5.557 16.107 -4.953 613 H MET 73 H MET 73 7.187 21.025 -7.225 614 HA MET 73 HA MET 73 8.397 21.644 -9.826 615 HB2 MET 73 2HB MET 73 7.208 23.396 -7.677 616 HB3 MET 73 3HB MET 73 8.100 24.041 -9.049 617 HG2 MET 73 2HG MET 73 6.483 23.301 -10.584 618 HG3 MET 73 3HG MET 73 5.716 22.256 -9.391 619 HE1 MET 73 3HE MET 73 4.724 22.888 -7.426 620 HE2 MET 73 1HE MET 73 4.696 24.522 -6.762 621 HE3 MET 73 2HE MET 73 3.303 23.909 -7.652 622 H MET 74 H MET 74 10.435 22.511 -10.010 623 HA MET 74 HA MET 74 12.003 22.812 -7.545 624 HB2 MET 74 2HB MET 74 12.956 21.358 -10.018 625 HB3 MET 74 3HB MET 74 13.884 21.627 -8.549 626 HG2 MET 74 2HG MET 74 12.721 20.052 -7.358 627 HG3 MET 74 3HG MET 74 11.286 20.190 -8.371 628 HE1 MET 74 3HE MET 74 14.169 18.266 -7.359 629 HE2 MET 74 1HE MET 74 12.729 17.250 -7.451 630 HE3 MET 74 2HE MET 74 14.136 16.879 -8.449 631 H MET 75 H MET 75 12.864 24.772 -7.476 632 HA MET 75 HA MET 75 13.403 26.165 -10.011 633 HB2 MET 75 2HB MET 75 12.821 27.235 -7.248 634 HB3 MET 75 3HB MET 75 13.344 28.244 -8.590 635 HG2 MET 75 2HG MET 75 11.070 26.562 -9.260 636 HG3 MET 75 3HG MET 75 10.751 27.653 -7.914 637 HE1 MET 75 3HE MET 75 9.456 30.030 -8.749 638 HE2 MET 75 1HE MET 75 10.986 30.009 -7.871 639 HE3 MET 75 2HE MET 75 10.776 31.089 -9.249 640 H GLY 76 H GLY 76 15.458 26.419 -10.578 641 HA2 GLY 76 2HA GLY 76 17.526 27.439 -9.129 642 HA3 GLY 76 3HA GLY 76 17.581 25.720 -8.764 643 H THR 77 H THR 77 19.668 25.666 -9.755 644 HA THR 77 HA THR 77 19.495 25.465 -12.683 645 HB THR 77 HB THR 77 20.639 27.540 -12.321 646 HG1 THR 77 HG1 THR 77 21.772 26.673 -13.915 647 HG21 THR 77 3HG2 THR 77 21.788 27.936 -10.456 648 HG22 THR 77 1HG2 THR 77 23.004 26.760 -10.952 649 HG23 THR 77 2HG2 THR 77 21.621 26.244 -9.986 650 H ARG 78 H ARG 78 20.781 23.879 -13.635 651 HA ARG 78 HA ARG 78 21.282 21.584 -12.066 652 HB2 ARG 78 2HB ARG 78 21.800 22.358 -14.907 653 HB3 ARG 78 3HB ARG 78 22.567 20.912 -14.265 654 HG2 ARG 78 2HG ARG 78 20.708 19.862 -14.896 655 HG3 ARG 78 3HG ARG 78 19.972 20.592 -13.467 656 HD2 ARG 78 2HD ARG 78 18.481 21.358 -14.982 657 HD3 ARG 78 3HD ARG 78 19.693 22.619 -15.203 658 HE ARG 78 HE ARG 78 19.993 21.853 -17.325 659 HH11 ARG 78 1HH1 ARG 78 18.663 19.272 -15.404 660 HH12 ARG 78 2HH1 ARG 78 18.520 18.177 -16.740 661 HH21 ARG 78 1HH2 ARG 78 19.810 20.421 -19.090 662 HH22 ARG 78 2HH2 ARG 78 19.173 18.831 -18.836 663 H GLU 79 H GLU 79 23.348 20.461 -11.847 664 HA GLU 79 HA GLU 79 25.399 22.277 -10.935 665 HB2 GLU 79 2HB GLU 79 24.779 19.407 -10.625 666 HB3 GLU 79 3HB GLU 79 26.490 19.810 -10.620 667 HG2 GLU 79 2HG GLU 79 24.444 21.105 -8.837 668 HG3 GLU 79 3HG GLU 79 25.447 19.733 -8.370 669 H GLU 80 H GLU 80 27.764 21.341 -11.392 670 HA GLU 80 HA GLU 80 29.469 21.167 -12.889 671 HB2 GLU 80 2HB GLU 80 27.604 19.248 -13.665 672 HB3 GLU 80 3HB GLU 80 27.992 20.102 -15.152 673 HG2 GLU 80 2HG GLU 80 30.364 19.485 -13.614 674 HG3 GLU 80 3HG GLU 80 29.429 18.042 -14.001 675 H SER 81 H SER 81 30.265 21.986 -14.991 676 HA SER 81 HA SER 81 28.995 24.519 -15.584 677 HB2 SER 81 2HB SER 81 31.318 23.793 -17.216 678 HB3 SER 81 3HB SER 81 31.056 25.205 -16.193 679 HG SER 81 HG SER 81 32.711 23.393 -15.651 680 HN1 NH2 90 H1 NH2 90 28.219 24.066 -19.048 Start of MODEL 4 1 H1 MET 1 H MET 1 3.285 0.164 0.295 2 HA MET 1 HA MET 1 4.235 -1.073 -2.010 3 HB2 MET 1 2HB MET 1 1.488 0.032 -2.220 4 HB3 MET 1 3HB MET 1 2.585 0.382 -3.549 5 HG2 MET 1 2HG MET 1 2.387 -2.423 -2.602 6 HG3 MET 1 3HG MET 1 1.046 -1.756 -3.531 7 HE1 MET 1 3HE MET 1 4.291 -3.976 -4.796 8 HE2 MET 1 1HE MET 1 5.281 -2.563 -4.429 9 HE3 MET 1 2HE MET 1 4.193 -3.219 -3.205 10 H ALA 2 H ALA 2 4.745 0.686 -3.776 11 HA ALA 2 HA ALA 2 5.937 2.925 -2.325 12 HB1 ALA 2 1HB ALA 2 6.787 1.272 -4.463 13 HB2 ALA 2 2HB ALA 2 6.686 2.927 -5.066 14 HB3 ALA 2 3HB ALA 2 7.675 2.563 -3.652 15 H LEU 3 H LEU 3 5.668 5.078 -2.931 16 HA LEU 3 HA LEU 3 3.259 5.596 -4.537 17 HB2 LEU 3 2HB LEU 3 4.098 6.511 -1.990 18 HB3 LEU 3 3HB LEU 3 4.101 7.895 -3.081 19 HG LEU 3 HG LEU 3 1.750 6.094 -2.501 20 HD11 LEU 3 1HD1 LEU 3 1.997 7.429 -0.615 21 HD12 LEU 3 2HD1 LEU 3 0.863 8.340 -1.612 22 HD13 LEU 3 3HD1 LEU 3 2.560 8.815 -1.548 23 HD21 LEU 3 3HD2 LEU 3 0.903 6.832 -4.416 24 HD22 LEU 3 1HD2 LEU 3 2.301 7.872 -4.690 25 HD23 LEU 3 2HD2 LEU 3 0.934 8.464 -3.746 26 HA PRO 4 HA PRO 4 6.232 7.244 -7.471 27 HB2 PRO 4 2HB PRO 4 4.414 7.629 -9.449 28 HB3 PRO 4 3HB PRO 4 5.113 6.048 -9.081 29 HG2 PRO 4 2HG PRO 4 2.464 7.183 -8.270 30 HG3 PRO 4 3HG PRO 4 2.852 5.554 -8.854 31 HD2 PRO 4 2HD PRO 4 2.493 6.114 -6.229 32 HD3 PRO 4 3HD PRO 4 3.618 4.862 -6.793 33 H ILE 5 H ILE 5 6.584 9.286 -8.456 34 HA ILE 5 HA ILE 5 4.673 11.418 -7.967 35 HB ILE 5 HB ILE 5 7.464 11.557 -6.822 36 HG12 ILE 5 2HG1 ILE 5 4.764 11.345 -5.475 37 HG13 ILE 5 3HG1 ILE 5 6.046 10.140 -5.451 38 HG21 ILE 5 1HG2 ILE 5 6.876 13.734 -6.018 39 HG22 ILE 5 2HG2 ILE 5 6.554 13.683 -7.750 40 HG23 ILE 5 3HG2 ILE 5 5.222 13.557 -6.602 41 HD11 ILE 5 3HD1 ILE 5 5.606 12.337 -3.695 42 HD12 ILE 5 1HD1 ILE 5 6.811 11.054 -3.594 43 HD13 ILE 5 2HD1 ILE 5 7.168 12.531 -4.490 44 H ILE 6 H ILE 6 4.796 13.018 -9.454 45 HA ILE 6 HA ILE 6 6.787 12.695 -11.569 46 HB ILE 6 HB ILE 6 4.149 14.122 -11.426 47 HG12 ILE 6 2HG1 ILE 6 4.872 12.454 -13.739 48 HG13 ILE 6 3HG1 ILE 6 4.840 11.590 -12.206 49 HG21 ILE 6 1HG2 ILE 6 4.633 14.876 -13.784 50 HG22 ILE 6 2HG2 ILE 6 5.509 15.726 -12.512 51 HG23 ILE 6 3HG2 ILE 6 6.325 14.491 -13.469 52 HD11 ILE 6 3HD1 ILE 6 2.521 13.217 -12.357 53 HD12 ILE 6 1HD1 ILE 6 2.675 12.316 -13.865 54 HD13 ILE 6 2HD1 ILE 6 2.641 11.458 -12.325 55 H VAL 7 H VAL 7 8.224 14.260 -12.169 56 HA VAL 7 HA VAL 7 8.278 16.722 -10.551 57 HB VAL 7 HB VAL 7 10.020 15.221 -9.740 58 HG11 VAL 7 1HG1 VAL 7 11.709 15.307 -12.108 59 HG12 VAL 7 2HG1 VAL 7 11.311 13.953 -11.048 60 HG13 VAL 7 3HG1 VAL 7 10.220 14.397 -12.361 61 HG21 VAL 7 3HG2 VAL 7 11.941 16.896 -10.930 62 HG22 VAL 7 1HG2 VAL 7 10.454 17.839 -10.815 63 HG23 VAL 7 2HG2 VAL 7 11.145 17.101 -9.369 64 H LYS 8 H LYS 8 8.194 18.500 -11.741 65 HA LYS 8 HA LYS 8 8.954 18.338 -14.578 66 HB2 LYS 8 2HB LYS 8 7.505 20.285 -14.918 67 HB3 LYS 8 3HB LYS 8 6.620 18.955 -14.182 68 HG2 LYS 8 2HG LYS 8 7.331 20.231 -11.961 69 HG3 LYS 8 3HG LYS 8 7.342 21.601 -13.074 70 HD2 LYS 8 2HD LYS 8 5.020 19.703 -12.942 71 HD3 LYS 8 3HD LYS 8 5.157 21.071 -11.835 72 HE2 LYS 8 2HE LYS 8 5.605 21.754 -14.646 73 HE3 LYS 8 3HE LYS 8 3.987 21.142 -14.306 74 HZ1 LYS 8 3HZ LYS 8 3.647 22.839 -12.702 75 HZ2 LYS 8 1HZ LYS 8 4.244 23.594 -14.093 76 HZ3 LYS 8 2HZ LYS 8 5.263 23.334 -12.769 77 H TRP 9 H TRP 9 10.779 19.288 -15.169 78 HA TRP 9 HA TRP 9 11.773 21.547 -13.557 79 HB2 TRP 9 2HB TRP 9 13.320 19.860 -13.099 80 HB3 TRP 9 3HB TRP 9 13.225 19.196 -14.728 81 HD1 TRP 9 HD1 TRP 9 15.454 19.538 -15.917 82 HE1 TRP 9 HE1 TRP 9 17.215 21.410 -16.052 83 HE3 TRP 9 HE3 TRP 9 13.334 22.883 -12.684 84 HZ2 TRP 9 HZ2 TRP 9 17.649 23.966 -14.936 85 HZ3 TRP 9 HZ3 TRP 9 14.486 25.018 -12.272 86 HH2 TRP 9 HH2 TRP 9 16.599 25.546 -13.375 87 H GLY 10 H GLY 10 11.182 23.264 -14.779 88 HA2 GLY 10 2HA GLY 10 11.803 24.812 -16.454 89 HA3 GLY 10 3HA GLY 10 12.442 23.484 -17.411 90 H GLY 11 H GLY 11 10.947 22.111 -18.545 91 HA2 GLY 11 2HA GLY 11 8.195 23.064 -18.753 92 HA3 GLY 11 3HA GLY 11 9.185 23.193 -20.200 93 H GLN 12 H GLN 12 9.809 20.550 -18.085 94 HA GLN 12 HA GLN 12 8.264 18.755 -19.832 95 HB2 GLN 12 2HB GLN 12 11.123 18.479 -18.920 96 HB3 GLN 12 3HB GLN 12 10.186 17.107 -19.499 97 HG2 GLN 12 2HG GLN 12 9.933 19.224 -21.378 98 HG3 GLN 12 3HG GLN 12 11.641 19.007 -20.998 99 HE21 GLN 12 1HE2 GLN 12 11.963 16.404 -20.655 100 HE22 GLN 12 2HE2 GLN 12 11.527 15.515 -22.070 101 H GLU 13 H GLU 13 8.244 16.454 -18.796 102 HA GLU 13 HA GLU 13 7.915 16.678 -15.884 103 HB2 GLU 13 2HB GLU 13 5.940 15.462 -17.822 104 HB3 GLU 13 3HB GLU 13 5.852 15.282 -16.076 105 HG2 GLU 13 2HG GLU 13 5.601 17.694 -15.832 106 HG3 GLU 13 3HG GLU 13 5.704 17.884 -17.581 107 H TYR 14 H TYR 14 8.482 14.896 -14.712 108 HA TYR 14 HA TYR 14 9.251 12.471 -16.177 109 HB2 TYR 14 2HB TYR 14 10.970 13.877 -14.123 110 HB3 TYR 14 3HB TYR 14 11.326 12.313 -14.847 111 HD1 TYR 14 HD1 TYR 14 10.776 15.891 -15.712 112 HD2 TYR 14 HD2 TYR 14 12.549 12.189 -16.831 113 HE1 TYR 14 HE1 TYR 14 11.953 17.019 -17.554 114 HE2 TYR 14 HE2 TYR 14 13.733 13.307 -18.675 115 HH TYR 14 HH TYR 14 14.117 15.220 -19.725 116 H SER 15 H SER 15 8.148 10.837 -15.348 117 HA SER 15 HA SER 15 7.028 10.985 -12.689 118 HB2 SER 15 2HB SER 15 5.745 9.098 -13.273 119 HB3 SER 15 3HB SER 15 5.900 9.991 -14.786 120 HG SER 15 HG SER 15 7.390 8.539 -15.495 121 H VAL 16 H VAL 16 7.758 10.011 -10.899 122 HA VAL 16 HA VAL 16 10.276 8.540 -11.080 123 HB VAL 16 HB VAL 16 8.819 9.655 -8.680 124 HG11 VAL 16 1HG1 VAL 16 11.117 7.837 -8.934 125 HG12 VAL 16 2HG1 VAL 16 11.346 9.197 -7.833 126 HG13 VAL 16 3HG1 VAL 16 10.002 8.080 -7.589 127 HG21 VAL 16 3HG2 VAL 16 10.876 10.703 -10.511 128 HG22 VAL 16 1HG2 VAL 16 9.685 11.557 -9.530 129 HG23 VAL 16 2HG2 VAL 16 11.174 10.965 -8.793 130 H THR 17 H THR 17 10.522 6.440 -10.524 131 HA THR 17 HA THR 17 8.341 5.016 -9.214 132 HB THR 17 HB THR 17 8.601 3.157 -10.981 133 HG1 THR 17 HG1 THR 17 10.381 4.652 -11.967 134 HG21 THR 17 3HG2 THR 17 6.766 5.136 -10.654 135 HG22 THR 17 1HG2 THR 17 6.624 3.832 -11.831 136 HG23 THR 17 2HG2 THR 17 7.259 5.401 -12.326 137 H THR 18 H THR 18 9.669 4.605 -7.472 138 HA THR 18 HA THR 18 11.186 2.302 -7.438 139 HB THR 18 HB THR 18 12.916 3.181 -8.750 140 HG1 THR 18 HG1 THR 18 13.954 3.952 -6.252 141 HG21 THR 18 3HG2 THR 18 12.128 5.711 -7.524 142 HG22 THR 18 1HG2 THR 18 12.855 5.396 -9.099 143 HG23 THR 18 2HG2 THR 18 13.875 5.519 -7.666 144 H LEU 19 H LEU 19 10.564 5.460 -6.117 145 HA LEU 19 HA LEU 19 11.557 4.744 -3.485 146 HB2 LEU 19 2HB LEU 19 10.754 7.179 -4.864 147 HB3 LEU 19 3HB LEU 19 10.144 7.096 -3.213 148 HG LEU 19 HG LEU 19 12.296 8.316 -3.443 149 HD11 LEU 19 1HD1 LEU 19 13.461 7.027 -1.611 150 HD12 LEU 19 2HD1 LEU 19 12.181 5.824 -1.764 151 HD13 LEU 19 3HD1 LEU 19 11.785 7.477 -1.296 152 HD21 LEU 19 3HD2 LEU 19 14.334 7.088 -3.872 153 HD22 LEU 19 1HD2 LEU 19 13.238 6.918 -5.243 154 HD23 LEU 19 2HD2 LEU 19 13.422 5.593 -4.092 155 H SER 20 H SER 20 10.261 4.623 -1.613 156 HA SER 20 HA SER 20 7.381 4.258 -2.083 157 HB2 SER 20 2HB SER 20 8.034 2.452 -0.055 158 HB3 SER 20 3HB SER 20 7.622 2.055 -1.723 159 HG SER 20 HG SER 20 9.646 1.610 -2.116 160 H GLU 21 H GLU 21 6.125 4.246 -0.009 161 HA GLU 21 HA GLU 21 6.576 6.590 1.431 162 HB2 GLU 21 2HB GLU 21 4.947 5.372 3.120 163 HB3 GLU 21 3HB GLU 21 4.380 5.948 1.559 164 HG2 GLU 21 2HG GLU 21 3.635 3.645 2.205 165 HG3 GLU 21 3HG GLU 21 4.421 3.779 0.633 166 H ASP 22 H ASP 22 7.911 3.458 1.828 167 HA ASP 22 HA ASP 22 8.528 3.593 4.597 168 HB2 ASP 22 2HB ASP 22 8.763 1.685 2.573 169 HB3 ASP 22 3HB ASP 22 10.423 2.023 3.057 170 H ASP 23 H ASP 23 9.732 5.271 1.944 171 HA ASP 23 HA ASP 23 12.341 5.736 3.200 172 HB2 ASP 23 2HB ASP 23 11.451 6.759 0.507 173 HB3 ASP 23 3HB ASP 23 13.095 6.578 1.113 174 H THR 24 H THR 24 12.547 8.310 1.723 175 HA THR 24 HA THR 24 10.705 9.971 3.300 176 HB THR 24 HB THR 24 12.992 11.488 3.288 177 HG1 THR 24 HG1 THR 24 13.682 8.749 3.631 178 HG21 THR 24 3HG2 THR 24 12.564 9.641 5.583 179 HG22 THR 24 1HG2 THR 24 11.248 10.724 5.129 180 HG23 THR 24 2HG2 THR 24 12.822 11.386 5.571 181 H VAL 25 H VAL 25 10.782 12.301 2.568 182 HA VAL 25 HA VAL 25 10.226 12.448 -0.187 183 HB VAL 25 HB VAL 25 10.876 14.801 1.583 184 HG11 VAL 25 1HG1 VAL 25 8.765 15.426 -0.089 185 HG12 VAL 25 2HG1 VAL 25 10.448 15.910 -0.305 186 HG13 VAL 25 3HG1 VAL 25 9.835 14.462 -1.106 187 HG21 VAL 25 3HG2 VAL 25 9.248 13.942 2.902 188 HG22 VAL 25 1HG2 VAL 25 8.198 14.673 1.688 189 HG23 VAL 25 2HG2 VAL 25 8.572 12.952 1.609 190 H LEU 26 H LEU 26 13.035 13.500 1.704 191 HA LEU 26 HA LEU 26 14.444 14.744 -0.369 192 HB2 LEU 26 2HB LEU 26 16.099 14.994 1.136 193 HB3 LEU 26 3HB LEU 26 14.846 14.478 2.263 194 HG LEU 26 HG LEU 26 15.850 12.087 1.712 195 HD11 LEU 26 1HD1 LEU 26 18.023 12.001 1.033 196 HD12 LEU 26 2HD1 LEU 26 18.392 13.619 1.629 197 HD13 LEU 26 3HD1 LEU 26 17.493 13.418 0.126 198 HD21 LEU 26 3HD2 LEU 26 17.058 12.211 3.743 199 HD22 LEU 26 1HD2 LEU 26 15.697 13.321 3.908 200 HD23 LEU 26 2HD2 LEU 26 17.311 13.948 3.571 201 H ASP 27 H ASP 27 14.036 11.390 0.446 202 HA ASP 27 HA ASP 27 16.232 10.385 -1.060 203 HB2 ASP 27 2HB ASP 27 14.701 9.262 0.793 204 HB3 ASP 27 3HB ASP 27 13.791 8.728 -0.617 205 H LEU 28 H LEU 28 12.871 11.095 -1.790 206 HA LEU 28 HA LEU 28 12.981 9.897 -4.408 207 HB2 LEU 28 2HB LEU 28 10.932 10.192 -2.877 208 HB3 LEU 28 3HB LEU 28 10.900 11.847 -3.482 209 HG LEU 28 HG LEU 28 11.012 9.839 -5.601 210 HD11 LEU 28 1HD1 LEU 28 9.097 8.683 -5.251 211 HD12 LEU 28 2HD1 LEU 28 8.350 9.979 -4.319 212 HD13 LEU 28 3HD1 LEU 28 9.549 8.929 -3.564 213 HD21 LEU 28 3HD2 LEU 28 10.376 12.446 -5.437 214 HD22 LEU 28 1HD2 LEU 28 8.767 11.732 -5.326 215 HD23 LEU 28 2HD2 LEU 28 9.794 11.378 -6.716 216 H LYS 29 H LYS 29 12.864 13.208 -3.122 217 HA LYS 29 HA LYS 29 12.956 14.539 -5.591 218 HB2 LYS 29 2HB LYS 29 13.398 15.248 -2.760 219 HB3 LYS 29 3HB LYS 29 14.201 16.291 -3.927 220 HG2 LYS 29 2HG LYS 29 12.246 17.401 -3.838 221 HG3 LYS 29 3HG LYS 29 11.762 16.193 -5.030 222 HD2 LYS 29 2HD LYS 29 11.443 15.456 -2.181 223 HD3 LYS 29 3HD LYS 29 10.357 16.699 -2.806 224 HE2 LYS 29 2HE LYS 29 10.566 14.529 -4.677 225 HE3 LYS 29 3HE LYS 29 10.127 13.915 -3.083 226 HZ1 LYS 29 3HZ LYS 29 8.711 16.267 -4.111 227 HZ2 LYS 29 1HZ LYS 29 8.158 15.037 -3.090 228 HZ3 LYS 29 2HZ LYS 29 8.314 14.751 -4.749 229 H GLN 30 H GLN 30 15.607 13.929 -3.280 230 HA GLN 30 HA GLN 30 17.676 14.892 -4.883 231 HB2 GLN 30 2HB GLN 30 19.123 14.033 -3.307 232 HB3 GLN 30 3HB GLN 30 17.632 14.119 -2.378 233 HG2 GLN 30 2HG GLN 30 18.213 12.015 -1.832 234 HG3 GLN 30 3HG GLN 30 17.380 11.645 -3.341 235 HE21 GLN 30 1HE2 GLN 30 18.581 9.777 -3.659 236 HE22 GLN 30 2HE2 GLN 30 20.240 9.819 -4.141 237 H PHE 31 H PHE 31 15.871 11.973 -5.090 238 HA PHE 31 HA PHE 31 17.821 10.490 -6.585 239 HB2 PHE 31 2HB PHE 31 16.232 9.218 -5.335 240 HB3 PHE 31 3HB PHE 31 14.877 10.073 -6.065 241 HD1 PHE 31 HD2 PHE 31 17.538 7.601 -6.671 242 HD2 PHE 31 HD1 PHE 31 13.981 9.407 -8.154 243 HE1 PHE 31 HE2 PHE 31 17.381 5.861 -8.403 244 HE2 PHE 31 HE1 PHE 31 13.817 7.669 -9.888 245 HZ PHE 31 HZ PHE 31 15.518 5.893 -10.014 246 H LEU 32 H LEU 32 14.705 12.001 -7.435 247 HA LEU 32 HA LEU 32 15.023 11.614 -10.226 248 HB2 LEU 32 2HB LEU 32 13.173 13.298 -10.394 249 HB3 LEU 32 3HB LEU 32 12.827 11.884 -9.400 250 HG LEU 32 HG LEU 32 13.672 13.589 -7.496 251 HD11 LEU 32 1HD1 LEU 32 13.901 15.638 -8.356 252 HD12 LEU 32 2HD1 LEU 32 12.138 15.674 -8.381 253 HD13 LEU 32 3HD1 LEU 32 13.031 15.219 -9.832 254 HD21 LEU 32 3HD2 LEU 32 10.943 13.156 -8.670 255 HD22 LEU 32 1HD2 LEU 32 11.191 14.137 -7.225 256 HD23 LEU 32 2HD2 LEU 32 11.653 12.434 -7.225 257 H LYS 33 H LYS 33 15.622 14.363 -8.077 258 HA LYS 33 HA LYS 33 16.242 16.297 -9.969 259 HB2 LYS 33 2HB LYS 33 16.383 17.415 -8.038 260 HB3 LYS 33 3HB LYS 33 16.608 15.926 -7.129 261 HG2 LYS 33 2HG LYS 33 18.889 17.138 -8.632 262 HG3 LYS 33 3HG LYS 33 18.430 17.752 -7.043 263 HD2 LYS 33 2HD LYS 33 19.173 15.904 -5.968 264 HD3 LYS 33 3HD LYS 33 18.687 14.820 -7.273 265 HE2 LYS 33 2HE LYS 33 20.891 14.665 -7.668 266 HE3 LYS 33 3HE LYS 33 20.686 16.225 -8.462 267 HZ1 LYS 33 3HZ LYS 33 22.430 16.606 -7.027 268 HZ2 LYS 33 1HZ LYS 33 21.791 15.636 -5.797 269 HZ3 LYS 33 2HZ LYS 33 21.117 17.155 -6.113 270 H THR 34 H THR 34 18.075 13.549 -8.910 271 HA THR 34 HA THR 34 20.585 14.476 -9.976 272 HB THR 34 HB THR 34 19.957 12.571 -8.134 273 HG1 THR 34 HG1 THR 34 22.064 13.664 -8.928 274 HG21 THR 34 3HG2 THR 34 19.210 11.119 -10.102 275 HG22 THR 34 1HG2 THR 34 20.339 10.399 -8.955 276 HG23 THR 34 2HG2 THR 34 20.921 10.997 -10.508 277 H LEU 35 H LEU 35 17.824 12.782 -11.168 278 HA LEU 35 HA LEU 35 19.142 11.547 -13.396 279 HB2 LEU 35 2HB LEU 35 16.204 12.117 -13.235 280 HB3 LEU 35 3HB LEU 35 17.027 10.794 -14.059 281 HG LEU 35 HG LEU 35 16.742 11.101 -11.070 282 HD11 LEU 35 1HD1 LEU 35 15.546 8.801 -12.429 283 HD12 LEU 35 2HD1 LEU 35 14.802 10.350 -12.822 284 HD13 LEU 35 3HD1 LEU 35 14.905 9.824 -11.143 285 HD21 LEU 35 3HD2 LEU 35 17.783 8.743 -12.626 286 HD22 LEU 35 1HD2 LEU 35 17.778 8.973 -10.877 287 HD23 LEU 35 2HD2 LEU 35 18.826 9.962 -11.893 288 H THR 36 H THR 36 16.729 14.170 -13.198 289 HA THR 36 HA THR 36 18.069 15.471 -15.466 290 HB THR 36 HB THR 36 16.210 14.384 -16.503 291 HG1 THR 36 HG1 THR 36 15.511 16.155 -17.476 292 HG21 THR 36 3HG2 THR 36 14.360 13.859 -15.383 293 HG22 THR 36 1HG2 THR 36 13.963 15.567 -15.205 294 HG23 THR 36 2HG2 THR 36 14.956 14.762 -13.990 295 H GLY 37 H GLY 37 16.177 15.687 -12.556 296 HA2 GLY 37 2HA GLY 37 15.579 18.443 -12.614 297 HA3 GLY 37 3HA GLY 37 15.673 17.446 -11.169 298 H VAL 38 H VAL 38 16.473 19.784 -10.589 299 HA VAL 38 HA VAL 38 19.398 19.863 -10.937 300 HB VAL 38 HB VAL 38 18.626 21.877 -11.821 301 HG11 VAL 38 1HG1 VAL 38 16.439 22.248 -11.467 302 HG12 VAL 38 2HG1 VAL 38 16.482 21.563 -9.841 303 HG13 VAL 38 3HG1 VAL 38 17.001 23.227 -10.113 304 HG21 VAL 38 3HG2 VAL 38 19.155 22.496 -8.916 305 HG22 VAL 38 1HG2 VAL 38 20.392 22.195 -10.136 306 HG23 VAL 38 2HG2 VAL 38 19.341 23.605 -10.274 307 H LEU 39 H LEU 39 20.707 19.934 -9.174 308 HA LEU 39 HA LEU 39 19.871 18.876 -6.753 309 HB2 LEU 39 2HB LEU 39 22.055 20.034 -5.904 310 HB3 LEU 39 3HB LEU 39 22.128 18.693 -7.046 311 HG LEU 39 HG LEU 39 23.656 20.708 -7.448 312 HD11 LEU 39 1HD1 LEU 39 23.856 19.772 -9.445 313 HD12 LEU 39 2HD1 LEU 39 22.342 20.503 -9.976 314 HD13 LEU 39 3HD1 LEU 39 22.328 18.930 -9.180 315 HD21 LEU 39 3HD2 LEU 39 22.040 22.469 -7.073 316 HD22 LEU 39 1HD2 LEU 39 21.027 21.856 -8.381 317 HD23 LEU 39 2HD2 LEU 39 22.616 22.533 -8.740 318 HA PRO 40 HA PRO 40 18.007 22.158 -4.505 319 HB2 PRO 40 2HB PRO 40 18.657 21.452 -1.966 320 HB3 PRO 40 3HB PRO 40 17.451 20.586 -2.925 321 HG2 PRO 40 2HG PRO 40 20.319 19.894 -2.415 322 HG3 PRO 40 3HG PRO 40 18.896 18.836 -2.414 323 HD2 PRO 40 2HD PRO 40 20.600 18.984 -4.513 324 HD3 PRO 40 3HD PRO 40 18.864 18.666 -4.712 325 H GLU 41 H GLU 41 21.411 21.527 -4.203 326 HA GLU 41 HA GLU 41 22.224 23.544 -2.483 327 HB2 GLU 41 2HB GLU 41 23.753 21.838 -3.312 328 HB3 GLU 41 3HB GLU 41 23.625 22.483 -4.943 329 HG2 GLU 41 2HG GLU 41 25.077 24.145 -4.545 330 HG3 GLU 41 3HG GLU 41 24.483 24.415 -2.907 331 H ARG 42 H ARG 42 21.455 23.696 -5.922 332 HA ARG 42 HA ARG 42 21.925 26.595 -5.886 333 HB2 ARG 42 2HB ARG 42 21.941 24.516 -8.020 334 HB3 ARG 42 3HB ARG 42 21.457 26.147 -8.466 335 HG2 ARG 42 2HG ARG 42 23.686 26.293 -8.869 336 HG3 ARG 42 3HG ARG 42 23.671 26.777 -7.172 337 HD2 ARG 42 2HD ARG 42 24.319 24.587 -6.470 338 HD3 ARG 42 3HD ARG 42 24.105 23.945 -8.098 339 HE ARG 42 HE ARG 42 25.980 25.833 -8.469 340 HH11 ARG 42 1HH1 ARG 42 25.688 23.240 -6.165 341 HH12 ARG 42 2HH1 ARG 42 27.399 23.015 -6.005 342 HH21 ARG 42 1HH2 ARG 42 28.234 25.547 -8.267 343 HH22 ARG 42 2HH2 ARG 42 28.846 24.329 -7.200 344 H GLN 43 H GLN 43 19.500 24.145 -6.659 345 HA GLN 43 HA GLN 43 17.493 26.237 -7.062 346 HB2 GLN 43 2HB GLN 43 16.234 24.708 -8.238 347 HB3 GLN 43 3HB GLN 43 17.858 24.128 -8.578 348 HG2 GLN 43 2HG GLN 43 16.814 22.173 -8.047 349 HG3 GLN 43 3HG GLN 43 17.444 22.641 -6.468 350 HE21 GLN 43 1HE2 GLN 43 15.738 21.152 -5.749 351 HE22 GLN 43 2HE2 GLN 43 14.144 21.777 -5.526 352 H LYS 44 H LYS 44 15.404 26.047 -6.008 353 HA LYS 44 HA LYS 44 15.524 24.652 -3.418 354 HB2 LYS 44 2HB LYS 44 14.384 26.567 -2.377 355 HB3 LYS 44 3HB LYS 44 15.950 27.022 -3.037 356 HG2 LYS 44 2HG LYS 44 14.685 28.771 -3.760 357 HG3 LYS 44 3HG LYS 44 14.508 27.679 -5.135 358 HD2 LYS 44 2HD LYS 44 12.311 27.445 -4.790 359 HD3 LYS 44 3HD LYS 44 12.530 27.194 -3.056 360 HE2 LYS 44 2HE LYS 44 11.320 29.157 -3.100 361 HE3 LYS 44 3HE LYS 44 12.975 29.757 -3.017 362 HZ1 LYS 44 3HZ LYS 44 12.834 30.650 -5.049 363 HZ2 LYS 44 1HZ LYS 44 11.160 30.536 -4.835 364 HZ3 LYS 44 2HZ LYS 44 11.985 29.338 -5.697 365 H LEU 45 H LEU 45 13.651 23.707 -2.711 366 HA LEU 45 HA LEU 45 11.699 23.047 -4.653 367 HB2 LEU 45 2HB LEU 45 11.893 22.611 -1.689 368 HB3 LEU 45 3HB LEU 45 10.486 22.090 -2.614 369 HG LEU 45 HG LEU 45 11.917 20.205 -2.298 370 HD11 LEU 45 1HD1 LEU 45 12.315 19.529 -4.567 371 HD12 LEU 45 2HD1 LEU 45 12.323 21.207 -5.111 372 HD13 LEU 45 3HD1 LEU 45 10.832 20.482 -4.509 373 HD21 LEU 45 3HD2 LEU 45 14.138 21.779 -3.592 374 HD22 LEU 45 1HD2 LEU 45 14.228 20.148 -2.927 375 HD23 LEU 45 2HD2 LEU 45 13.981 21.525 -1.853 376 H LEU 46 H LEU 46 9.707 23.847 -5.052 377 HA LEU 46 HA LEU 46 9.059 26.443 -4.018 378 HB2 LEU 46 2HB LEU 46 7.773 24.575 -5.975 379 HB3 LEU 46 3HB LEU 46 6.935 26.022 -5.421 380 HG LEU 46 HG LEU 46 7.962 26.463 -7.548 381 HD11 LEU 46 1HD1 LEU 46 8.728 28.508 -7.000 382 HD12 LEU 46 2HD1 LEU 46 9.897 27.879 -5.839 383 HD13 LEU 46 3HD1 LEU 46 8.202 28.046 -5.381 384 HD21 LEU 46 3HD2 LEU 46 10.000 25.775 -8.181 385 HD22 LEU 46 1HD2 LEU 46 9.883 24.684 -6.800 386 HD23 LEU 46 2HD2 LEU 46 10.738 26.219 -6.641 387 H GLY 47 H GLY 47 6.860 23.663 -4.306 388 HA2 GLY 47 2HA GLY 47 5.619 24.478 -1.778 389 HA3 GLY 47 3HA GLY 47 4.913 23.403 -2.976 390 H LEU 48 H LEU 48 7.857 23.499 -0.959 391 HA LEU 48 HA LEU 48 8.255 20.756 -0.805 392 HB2 LEU 48 2HB LEU 48 9.529 21.239 1.262 393 HB3 LEU 48 3HB LEU 48 9.959 22.273 -0.099 394 HG LEU 48 HG LEU 48 8.196 23.885 1.083 395 HD11 LEU 48 1HD1 LEU 48 7.673 22.281 2.862 396 HD12 LEU 48 2HD1 LEU 48 8.390 23.761 3.499 397 HD13 LEU 48 3HD1 LEU 48 9.364 22.297 3.365 398 HD21 LEU 48 3HD2 LEU 48 10.993 23.634 2.161 399 HD22 LEU 48 1HD2 LEU 48 10.029 25.096 1.947 400 HD23 LEU 48 2HD2 LEU 48 10.644 24.232 0.538 401 H LYS 49 H LYS 49 5.932 22.749 0.793 402 HA LYS 49 HA LYS 49 5.209 20.561 2.614 403 HB2 LYS 49 2HB LYS 49 3.586 22.627 3.329 404 HB3 LYS 49 3HB LYS 49 5.157 22.300 4.048 405 HG2 LYS 49 2HG LYS 49 6.212 23.906 2.610 406 HG3 LYS 49 3HG LYS 49 4.710 24.152 1.716 407 HD2 LYS 49 2HD LYS 49 4.055 25.698 3.174 408 HD3 LYS 49 3HD LYS 49 4.232 24.557 4.509 409 HE2 LYS 49 2HE LYS 49 6.596 25.112 4.688 410 HE3 LYS 49 3HE LYS 49 6.456 26.211 3.317 411 HZ1 LYS 49 3HZ LYS 49 5.685 26.596 6.077 412 HZ2 LYS 49 1HZ LYS 49 4.545 27.135 4.949 413 HZ3 LYS 49 2HZ LYS 49 6.126 27.735 4.906 414 H VAL 50 H VAL 50 3.169 19.665 2.619 415 HA VAL 50 HA VAL 50 1.209 20.625 0.676 416 HB VAL 50 HB VAL 50 2.554 18.933 -0.521 417 HG11 VAL 50 1HG1 VAL 50 3.062 16.901 0.292 418 HG12 VAL 50 2HG1 VAL 50 2.702 17.631 1.857 419 HG13 VAL 50 3HG1 VAL 50 1.472 16.682 1.021 420 HG21 VAL 50 3HG2 VAL 50 0.705 18.373 -1.630 421 HG22 VAL 50 1HG2 VAL 50 0.133 17.378 -0.291 422 HG23 VAL 50 2HG2 VAL 50 -0.220 19.106 -0.319 423 H LYS 51 H LYS 51 -0.902 20.163 1.201 424 HA LYS 51 HA LYS 51 -2.661 19.781 2.595 425 HB2 LYS 51 2HB LYS 51 -1.097 17.311 3.360 426 HB3 LYS 51 3HB LYS 51 -2.829 17.553 3.543 427 HG2 LYS 51 2HG LYS 51 -2.170 18.003 0.823 428 HG3 LYS 51 3HG LYS 51 -1.411 16.493 1.332 429 HD2 LYS 51 2HD LYS 51 -3.513 15.609 2.067 430 HD3 LYS 51 3HD LYS 51 -4.311 17.163 1.812 431 HE2 LYS 51 2HE LYS 51 -3.595 16.912 -0.634 432 HE3 LYS 51 3HE LYS 51 -3.271 15.226 -0.234 433 HZ1 LYS 51 3HZ LYS 51 -5.459 15.345 -1.089 434 HZ2 LYS 51 1HZ LYS 51 -5.870 16.644 -0.087 435 HZ3 LYS 51 2HZ LYS 51 -5.613 15.111 0.579 436 H GLY 52 H GLY 52 -0.519 21.403 3.631 437 HA2 GLY 52 2HA GLY 52 -0.313 22.542 5.653 438 HA3 GLY 52 3HA GLY 52 -1.236 21.268 6.436 439 H LYS 53 H LYS 53 0.785 19.396 4.965 440 HA LYS 53 HA LYS 53 2.562 19.186 7.229 441 HB2 LYS 53 2HB LYS 53 2.239 17.559 4.708 442 HB3 LYS 53 3HB LYS 53 3.467 17.211 5.918 443 HG2 LYS 53 2HG LYS 53 0.494 17.233 6.401 444 HG3 LYS 53 3HG LYS 53 1.492 15.795 6.176 445 HD2 LYS 53 2HD LYS 53 2.774 17.249 8.178 446 HD3 LYS 53 3HD LYS 53 1.054 17.385 8.552 447 HE2 LYS 53 2HE LYS 53 0.906 14.891 8.289 448 HE3 LYS 53 3HE LYS 53 2.666 14.866 8.184 449 HZ1 LYS 53 3HZ LYS 53 2.763 15.882 10.384 450 HZ2 LYS 53 1HZ LYS 53 1.933 14.408 10.428 451 HZ3 LYS 53 2HZ LYS 53 1.074 15.863 10.484 452 HA PRO 54 HA PRO 54 6.001 21.377 5.592 453 HB2 PRO 54 2HB PRO 54 8.039 20.049 6.799 454 HB3 PRO 54 3HB PRO 54 6.962 21.150 7.667 455 HG2 PRO 54 2HG PRO 54 6.894 18.161 7.516 456 HG3 PRO 54 3HG PRO 54 6.662 19.216 8.923 457 HD2 PRO 54 2HD PRO 54 4.592 18.087 7.590 458 HD3 PRO 54 3HD PRO 54 4.471 19.676 8.373 459 H ALA 55 H ALA 55 6.113 17.841 5.431 460 HA ALA 55 HA ALA 55 7.255 16.425 4.019 461 HB1 ALA 55 1HB ALA 55 5.706 18.343 2.350 462 HB2 ALA 55 2HB ALA 55 6.749 17.167 1.550 463 HB3 ALA 55 3HB ALA 55 5.456 16.617 2.615 464 H GLU 56 H GLU 56 9.014 18.348 5.085 465 HA GLU 56 HA GLU 56 10.573 19.606 3.075 466 HB2 GLU 56 2HB GLU 56 10.638 20.398 5.367 467 HB3 GLU 56 3HB GLU 56 11.253 18.847 5.919 468 HG2 GLU 56 2HG GLU 56 13.320 19.554 5.620 469 HG3 GLU 56 3HG GLU 56 12.998 19.788 3.903 470 H ASN 57 H ASN 57 11.755 17.073 5.268 471 HA ASN 57 HA ASN 57 12.629 15.429 3.055 472 HB2 ASN 57 2HB ASN 57 15.021 15.461 4.177 473 HB3 ASN 57 3HB ASN 57 14.575 16.661 2.968 474 HD21 ASN 57 1HD2 ASN 57 15.754 18.360 3.606 475 HD22 ASN 57 2HD2 ASN 57 15.622 19.124 5.150 476 H ASP 58 H ASP 58 12.605 16.045 6.525 477 HA ASP 58 HA ASP 58 13.236 13.363 7.272 478 HB2 ASP 58 2HB ASP 58 13.562 15.436 8.700 479 HB3 ASP 58 3HB ASP 58 11.823 15.414 8.977 480 H VAL 59 H VAL 59 10.574 14.589 5.798 481 HA VAL 59 HA VAL 59 8.622 12.954 7.226 482 HB VAL 59 HB VAL 59 7.856 14.379 4.739 483 HG11 VAL 59 1HG1 VAL 59 6.148 13.235 5.943 484 HG12 VAL 59 2HG1 VAL 59 6.633 13.988 7.464 485 HG13 VAL 59 3HG1 VAL 59 5.899 14.963 6.190 486 HG21 VAL 59 3HG2 VAL 59 8.798 15.758 7.231 487 HG22 VAL 59 1HG2 VAL 59 9.200 16.109 5.550 488 HG23 VAL 59 2HG2 VAL 59 7.595 16.492 6.172 489 H LYS 60 H LYS 60 7.450 11.283 6.260 490 HA LYS 60 HA LYS 60 8.881 9.911 4.125 491 HB2 LYS 60 2HB LYS 60 6.661 9.045 5.980 492 HB3 LYS 60 3HB LYS 60 7.294 8.029 4.691 493 HG2 LYS 60 2HG LYS 60 9.590 8.513 5.850 494 HG3 LYS 60 3HG LYS 60 8.570 8.870 7.246 495 HD2 LYS 60 2HD LYS 60 7.450 6.582 6.619 496 HD3 LYS 60 3HD LYS 60 8.987 6.291 5.800 497 HE2 LYS 60 2HE LYS 60 10.204 6.429 7.796 498 HE3 LYS 60 3HE LYS 60 8.882 7.222 8.651 499 HZ1 LYS 60 3HZ LYS 60 8.994 4.387 7.781 500 HZ2 LYS 60 1HZ LYS 60 7.616 5.124 8.430 501 HZ3 LYS 60 2HZ LYS 60 9.013 4.966 9.370 502 H LEU 61 H LEU 61 7.922 9.214 2.205 503 HA LEU 61 HA LEU 61 6.246 10.966 0.889 504 HB2 LEU 61 2HB LEU 61 6.279 8.047 0.214 505 HB3 LEU 61 3HB LEU 61 6.172 9.432 -0.871 506 HG LEU 61 HG LEU 61 8.624 8.516 0.630 507 HD11 LEU 61 1HD1 LEU 61 9.499 7.955 -1.544 508 HD12 LEU 61 2HD1 LEU 61 8.032 8.545 -2.325 509 HD13 LEU 61 3HD1 LEU 61 7.968 7.115 -1.295 510 HD21 LEU 61 3HD2 LEU 61 9.689 10.270 -0.922 511 HD22 LEU 61 1HD2 LEU 61 8.856 10.830 0.528 512 HD23 LEU 61 2HD2 LEU 61 8.061 10.940 -1.042 513 H GLY 62 H GLY 62 5.407 7.999 2.632 514 HA2 GLY 62 2HA GLY 62 2.623 8.137 1.969 515 HA3 GLY 62 3HA GLY 62 3.356 7.094 3.179 516 H ALA 63 H ALA 63 4.573 9.758 4.244 517 HA ALA 63 HA ALA 63 2.447 10.207 6.158 518 HB1 ALA 63 1HB ALA 63 4.064 11.515 7.383 519 HB2 ALA 63 2HB ALA 63 4.800 9.994 6.877 520 HB3 ALA 63 3HB ALA 63 5.174 11.486 6.013 521 H LEU 64 H LEU 64 3.629 11.670 3.294 522 HA LEU 64 HA LEU 64 2.598 14.306 3.886 523 HB2 LEU 64 2HB LEU 64 3.221 13.577 1.099 524 HB3 LEU 64 3HB LEU 64 3.676 15.004 2.028 525 HG LEU 64 HG LEU 64 4.995 12.297 2.222 526 HD11 LEU 64 1HD1 LEU 64 6.255 14.780 1.130 527 HD12 LEU 64 2HD1 LEU 64 5.287 13.733 0.093 528 HD13 LEU 64 3HD1 LEU 64 6.719 13.094 0.899 529 HD21 LEU 64 3HD2 LEU 64 6.501 13.233 3.738 530 HD22 LEU 64 1HD2 LEU 64 4.933 13.839 4.273 531 HD23 LEU 64 2HD2 LEU 64 6.014 14.883 3.349 532 H LYS 65 H LYS 65 1.425 11.375 2.557 533 HA LYS 65 HA LYS 65 -0.537 10.764 1.576 534 HB2 LYS 65 2HB LYS 65 -1.640 13.270 2.850 535 HB3 LYS 65 3HB LYS 65 -2.532 11.819 2.410 536 HG2 LYS 65 2HG LYS 65 -0.414 12.002 4.544 537 HG3 LYS 65 3HG LYS 65 -2.158 11.953 4.813 538 HD2 LYS 65 2HD LYS 65 -2.256 9.737 3.780 539 HD3 LYS 65 3HD LYS 65 -0.514 9.788 3.500 540 HE2 LYS 65 2HE LYS 65 -0.133 9.921 5.914 541 HE3 LYS 65 3HE LYS 65 -1.873 9.878 6.193 542 HZ1 LYS 65 3HZ LYS 65 -1.733 7.685 4.862 543 HZ2 LYS 65 1HZ LYS 65 -1.265 7.694 6.488 544 HZ3 LYS 65 2HZ LYS 65 -0.091 7.725 5.270 545 H LEU 66 H LEU 66 1.151 12.138 -0.132 546 HA LEU 66 HA LEU 66 -0.521 14.041 -1.588 547 HB2 LEU 66 2HB LEU 66 2.319 13.561 -1.307 548 HB3 LEU 66 3HB LEU 66 1.847 13.679 -3.000 549 HG LEU 66 HG LEU 66 1.325 15.771 -0.888 550 HD11 LEU 66 1HD1 LEU 66 3.637 15.801 -1.295 551 HD12 LEU 66 2HD1 LEU 66 2.970 17.067 -2.326 552 HD13 LEU 66 3HD1 LEU 66 3.423 15.510 -3.022 553 HD21 LEU 66 3HD2 LEU 66 1.118 16.829 -3.471 554 HD22 LEU 66 1HD2 LEU 66 -0.182 16.568 -2.309 555 HD23 LEU 66 2HD2 LEU 66 0.204 15.321 -3.495 556 H LYS 67 H LYS 67 -0.946 13.799 -3.838 557 HA LYS 67 HA LYS 67 -1.727 11.174 -4.574 558 HB2 LYS 67 2HB LYS 67 -1.910 13.876 -5.720 559 HB3 LYS 67 3HB LYS 67 -1.823 12.589 -6.915 560 HG2 LYS 67 2HG LYS 67 -4.031 12.450 -6.664 561 HG3 LYS 67 3HG LYS 67 -3.672 11.614 -5.152 562 HD2 LYS 67 2HD LYS 67 -3.961 13.583 -3.881 563 HD3 LYS 67 3HD LYS 67 -3.922 14.608 -5.318 564 HE2 LYS 67 2HE LYS 67 -6.017 13.246 -6.025 565 HE3 LYS 67 3HE LYS 67 -6.109 12.829 -4.315 566 HZ1 LYS 67 3HZ LYS 67 -6.141 15.209 -3.801 567 HZ2 LYS 67 1HZ LYS 67 -7.449 14.760 -4.775 568 HZ3 LYS 67 2HZ LYS 67 -6.130 15.571 -5.453 569 HA PRO 68 HA PRO 68 1.758 9.577 -6.708 570 HB2 PRO 68 2HB PRO 68 0.615 8.317 -8.824 571 HB3 PRO 68 3HB PRO 68 0.500 7.710 -7.167 572 HG2 PRO 68 2HG PRO 68 -1.495 9.283 -8.751 573 HG3 PRO 68 3HG PRO 68 -1.759 7.885 -7.693 574 HD2 PRO 68 2HD PRO 68 -2.247 10.427 -6.897 575 HD3 PRO 68 3HD PRO 68 -1.696 9.164 -5.776 576 H ASN 69 H ASN 69 -0.564 11.307 -8.751 577 HA ASN 69 HA ASN 69 1.353 11.785 -10.839 578 HB2 ASN 69 2HB ASN 69 -0.408 13.153 -11.855 579 HB3 ASN 69 3HB ASN 69 -1.048 11.595 -11.338 580 HD21 ASN 69 1HD2 ASN 69 -2.703 11.543 -9.949 581 HD22 ASN 69 2HD2 ASN 69 -3.403 12.931 -9.196 582 H THR 70 H THR 70 0.627 13.225 -7.853 583 HA THR 70 HA THR 70 0.855 15.864 -7.950 584 HB THR 70 HB THR 70 2.584 14.084 -6.224 585 HG1 THR 70 HG1 THR 70 0.807 13.865 -5.103 586 HG21 THR 70 3HG2 THR 70 2.530 16.148 -4.702 587 HG22 THR 70 1HG2 THR 70 2.086 17.048 -6.152 588 HG23 THR 70 2HG2 THR 70 3.623 16.185 -6.085 589 H LYS 71 H LYS 71 2.071 17.348 -8.913 590 HA LYS 71 HA LYS 71 4.594 16.529 -10.139 591 HB2 LYS 71 2HB LYS 71 3.208 19.182 -10.486 592 HB3 LYS 71 3HB LYS 71 4.396 18.433 -11.544 593 HG2 LYS 71 2HG LYS 71 2.688 17.720 -12.765 594 HG3 LYS 71 3HG LYS 71 2.331 16.594 -11.454 595 HD2 LYS 71 2HD LYS 71 0.832 18.214 -10.439 596 HD3 LYS 71 3HD LYS 71 1.235 19.397 -11.685 597 HE2 LYS 71 2HE LYS 71 -0.040 16.717 -12.215 598 HE3 LYS 71 3HE LYS 71 -0.928 18.232 -12.064 599 HZ1 LYS 71 3HZ LYS 71 1.015 18.774 -13.898 600 HZ2 LYS 71 1HZ LYS 71 -0.610 18.447 -14.238 601 HZ3 LYS 71 2HZ LYS 71 0.533 17.201 -14.293 602 H ILE 72 H ILE 72 6.542 17.585 -9.782 603 HA ILE 72 HA ILE 72 6.611 19.295 -7.382 604 HB ILE 72 HB ILE 72 8.782 17.454 -8.392 605 HG12 ILE 72 2HG1 ILE 72 6.939 16.169 -7.473 606 HG13 ILE 72 3HG1 ILE 72 8.284 16.147 -6.338 607 HG21 ILE 72 1HG2 ILE 72 8.610 19.190 -5.935 608 HG22 ILE 72 2HG2 ILE 72 9.854 17.973 -6.215 609 HG23 ILE 72 3HG2 ILE 72 9.728 19.368 -7.287 610 HD11 ILE 72 3HD1 ILE 72 6.186 16.429 -5.175 611 HD12 ILE 72 1HD1 ILE 72 7.177 17.879 -5.012 612 HD13 ILE 72 2HD1 ILE 72 5.820 17.860 -6.139 613 H MET 73 H MET 73 7.407 21.285 -7.595 614 HA MET 73 HA MET 73 8.640 22.015 -10.151 615 HB2 MET 73 2HB MET 73 7.469 23.750 -7.969 616 HB3 MET 73 3HB MET 73 8.144 24.345 -9.480 617 HG2 MET 73 2HG MET 73 6.393 23.496 -10.744 618 HG3 MET 73 3HG MET 73 5.905 22.365 -9.484 619 HE1 MET 73 3HE MET 73 2.766 23.927 -9.021 620 HE2 MET 73 1HE MET 73 3.262 24.443 -10.633 621 HE3 MET 73 2HE MET 73 3.715 22.844 -10.041 622 H MET 74 H MET 74 10.637 22.970 -10.295 623 HA MET 74 HA MET 74 12.154 23.323 -7.804 624 HB2 MET 74 2HB MET 74 13.254 21.979 -10.276 625 HB3 MET 74 3HB MET 74 14.089 22.218 -8.747 626 HG2 MET 74 2HG MET 74 12.891 20.569 -7.677 627 HG3 MET 74 3HG MET 74 11.546 20.665 -8.811 628 HE1 MET 74 3HE MET 74 14.524 17.486 -8.707 629 HE2 MET 74 1HE MET 74 14.348 18.816 -7.563 630 HE3 MET 74 2HE MET 74 12.986 17.742 -7.882 631 H MET 75 H MET 75 12.882 25.335 -7.706 632 HA MET 75 HA MET 75 13.374 26.786 -10.215 633 HB2 MET 75 2HB MET 75 12.802 27.796 -7.425 634 HB3 MET 75 3HB MET 75 13.216 28.835 -8.783 635 HG2 MET 75 2HG MET 75 11.017 27.019 -9.362 636 HG3 MET 75 3HG MET 75 10.689 28.107 -8.015 637 HE1 MET 75 3HE MET 75 11.903 27.685 -11.532 638 HE2 MET 75 1HE MET 75 10.202 27.966 -11.901 639 HE3 MET 75 2HE MET 75 11.417 29.146 -12.392 640 H GLY 76 H GLY 76 15.406 27.182 -10.787 641 HA2 GLY 76 2HA GLY 76 17.441 28.245 -9.333 642 HA3 GLY 76 3HA GLY 76 17.576 26.523 -9.007 643 H THR 77 H THR 77 19.659 26.600 -10.015 644 HA THR 77 HA THR 77 19.467 26.434 -12.943 645 HB THR 77 HB THR 77 20.492 28.555 -12.620 646 HG1 THR 77 HG1 THR 77 22.179 28.147 -13.871 647 HG21 THR 77 3HG2 THR 77 22.864 28.029 -11.185 648 HG22 THR 77 1HG2 THR 77 21.539 27.342 -10.246 649 HG23 THR 77 2HG2 THR 77 21.508 29.046 -10.699 650 H ARG 78 H ARG 78 20.885 24.971 -13.935 651 HA ARG 78 HA ARG 78 21.526 22.679 -12.400 652 HB2 ARG 78 2HB ARG 78 21.925 23.524 -15.234 653 HB3 ARG 78 3HB ARG 78 22.851 22.153 -14.635 654 HG2 ARG 78 2HG ARG 78 21.087 20.937 -15.249 655 HG3 ARG 78 3HG ARG 78 20.332 21.551 -13.777 656 HD2 ARG 78 2HD ARG 78 18.718 22.250 -15.176 657 HD3 ARG 78 3HD ARG 78 19.829 23.581 -15.498 658 HE ARG 78 HE ARG 78 20.224 21.284 -17.188 659 HH11 ARG 78 1HH1 ARG 78 18.500 24.278 -16.759 660 HH12 ARG 78 2HH1 ARG 78 18.175 24.484 -18.448 661 HH21 ARG 78 1HH2 ARG 78 19.803 21.544 -19.414 662 HH22 ARG 78 2HH2 ARG 78 18.916 22.928 -19.958 663 H GLU 79 H GLU 79 23.612 21.722 -12.070 664 HA GLU 79 HA GLU 79 25.551 23.617 -11.154 665 HB2 GLU 79 2HB GLU 79 25.265 20.652 -11.109 666 HB3 GLU 79 3HB GLU 79 26.875 21.323 -10.888 667 HG2 GLU 79 2HG GLU 79 26.012 22.687 -9.021 668 HG3 GLU 79 3HG GLU 79 24.444 21.904 -9.213 669 H GLU 80 H GLU 80 27.966 23.039 -11.679 670 HA GLU 80 HA GLU 80 28.425 23.778 -14.350 671 HB2 GLU 80 2HB GLU 80 29.978 23.386 -11.986 672 HB3 GLU 80 3HB GLU 80 30.769 22.549 -13.314 673 HG2 GLU 80 2HG GLU 80 31.250 24.466 -14.426 674 HG3 GLU 80 3HG GLU 80 29.828 25.310 -13.816 675 H SER 81 H SER 81 28.687 20.651 -12.707 676 HA SER 81 HA SER 81 28.893 18.522 -13.486 677 HB2 SER 81 2HB SER 81 26.920 19.826 -15.066 678 HB3 SER 81 3HB SER 81 27.855 18.783 -16.138 679 HG SER 81 HG SER 81 26.158 18.125 -14.052 680 HN1 NH2 90 H1 NH2 90 30.666 19.007 -17.055 Start of MODEL 5 1 H1 MET 1 H MET 1 3.218 0.099 -0.533 2 HA MET 1 HA MET 1 4.989 -1.311 -2.308 3 HB2 MET 1 2HB MET 1 2.529 0.031 -3.443 4 HB3 MET 1 3HB MET 1 3.861 -0.626 -4.384 5 HG2 MET 1 2HG MET 1 3.274 -2.811 -3.943 6 HG3 MET 1 3HG MET 1 2.376 -2.384 -2.488 7 HE1 MET 1 3HE MET 1 0.295 -3.806 -5.887 8 HE2 MET 1 1HE MET 1 2.044 -3.870 -5.672 9 HE3 MET 1 2HE MET 1 0.978 -4.449 -4.393 10 H ALA 2 H ALA 2 5.550 0.439 -4.200 11 HA ALA 2 HA ALA 2 6.608 2.696 -2.721 12 HB1 ALA 2 1HB ALA 2 7.249 2.876 -5.480 13 HB2 ALA 2 2HB ALA 2 8.303 2.454 -4.129 14 HB3 ALA 2 3HB ALA 2 7.419 1.191 -4.985 15 H LEU 3 H LEU 3 6.330 4.885 -3.329 16 HA LEU 3 HA LEU 3 3.801 5.393 -4.749 17 HB2 LEU 3 2HB LEU 3 4.827 6.298 -2.235 18 HB3 LEU 3 3HB LEU 3 4.584 7.681 -3.300 19 HG LEU 3 HG LEU 3 2.464 5.650 -2.605 20 HD11 LEU 3 1HD1 LEU 3 2.601 6.734 -0.616 21 HD12 LEU 3 2HD1 LEU 3 1.586 7.891 -1.476 22 HD13 LEU 3 3HD1 LEU 3 3.318 8.181 -1.325 23 HD21 LEU 3 3HD2 LEU 3 2.650 7.577 -4.676 24 HD22 LEU 3 1HD2 LEU 3 1.454 8.146 -3.511 25 HD23 LEU 3 2HD2 LEU 3 1.279 6.552 -4.247 26 HA PRO 4 HA PRO 4 6.590 7.210 -7.768 27 HB2 PRO 4 2HB PRO 4 4.672 7.586 -9.651 28 HB3 PRO 4 3HB PRO 4 5.438 6.020 -9.360 29 HG2 PRO 4 2HG PRO 4 2.794 7.043 -8.399 30 HG3 PRO 4 3HG PRO 4 3.207 5.444 -9.046 31 HD2 PRO 4 2HD PRO 4 2.951 5.920 -6.393 32 HD3 PRO 4 3HD PRO 4 4.088 4.722 -7.043 33 H ILE 5 H ILE 5 6.836 9.288 -8.701 34 HA ILE 5 HA ILE 5 4.878 11.341 -8.078 35 HB ILE 5 HB ILE 5 7.699 11.513 -7.013 36 HG12 ILE 5 2HG1 ILE 5 5.031 11.239 -5.617 37 HG13 ILE 5 3HG1 ILE 5 6.344 10.068 -5.621 38 HG21 ILE 5 1HG2 ILE 5 7.036 13.663 -6.099 39 HG22 ILE 5 2HG2 ILE 5 6.845 13.654 -7.851 40 HG23 ILE 5 3HG2 ILE 5 5.432 13.489 -6.810 41 HD11 ILE 5 3HD1 ILE 5 7.508 12.381 -4.651 42 HD12 ILE 5 1HD1 ILE 5 5.907 12.352 -3.912 43 HD13 ILE 5 2HD1 ILE 5 6.996 10.980 -3.711 44 H ILE 6 H ILE 6 4.903 12.998 -9.510 45 HA ILE 6 HA ILE 6 6.814 12.796 -11.711 46 HB ILE 6 HB ILE 6 4.152 14.154 -11.418 47 HG12 ILE 6 2HG1 ILE 6 4.750 12.600 -13.822 48 HG13 ILE 6 3HG1 ILE 6 4.921 11.664 -12.341 49 HG21 ILE 6 1HG2 ILE 6 5.432 15.816 -12.513 50 HG22 ILE 6 2HG2 ILE 6 6.234 14.625 -13.536 51 HG23 ILE 6 3HG2 ILE 6 4.523 14.981 -13.773 52 HD11 ILE 6 3HD1 ILE 6 2.513 13.172 -12.198 53 HD12 ILE 6 1HD1 ILE 6 2.566 12.313 -13.737 54 HD13 ILE 6 2HD1 ILE 6 2.731 11.422 -12.224 55 H VAL 7 H VAL 7 8.192 14.411 -12.309 56 HA VAL 7 HA VAL 7 8.240 16.829 -10.628 57 HB VAL 7 HB VAL 7 10.036 15.331 -9.911 58 HG11 VAL 7 1HG1 VAL 7 11.334 14.162 -11.301 59 HG12 VAL 7 2HG1 VAL 7 10.204 14.633 -12.572 60 HG13 VAL 7 3HG1 VAL 7 11.672 15.573 -12.303 61 HG21 VAL 7 3HG2 VAL 7 11.912 17.079 -10.992 62 HG22 VAL 7 1HG2 VAL 7 10.407 17.999 -10.954 63 HG23 VAL 7 2HG2 VAL 7 11.035 17.273 -9.474 64 H LYS 8 H LYS 8 8.115 18.644 -11.761 65 HA LYS 8 HA LYS 8 8.814 18.567 -14.619 66 HB2 LYS 8 2HB LYS 8 7.288 20.471 -14.889 67 HB3 LYS 8 3HB LYS 8 6.466 19.081 -14.194 68 HG2 LYS 8 2HG LYS 8 7.152 20.320 -11.936 69 HG3 LYS 8 3HG LYS 8 7.071 21.720 -13.009 70 HD2 LYS 8 2HD LYS 8 4.865 19.682 -12.774 71 HD3 LYS 8 3HD LYS 8 4.934 21.153 -11.801 72 HE2 LYS 8 2HE LYS 8 5.304 21.627 -14.657 73 HE3 LYS 8 3HE LYS 8 3.744 20.907 -14.265 74 HZ1 LYS 8 3HZ LYS 8 3.573 22.714 -12.520 75 HZ2 LYS 8 1HZ LYS 8 3.419 23.204 -14.132 76 HZ3 LYS 8 2HZ LYS 8 4.869 23.467 -13.303 77 H TRP 9 H TRP 9 10.634 19.551 -15.163 78 HA TRP 9 HA TRP 9 11.516 21.863 -13.561 79 HB2 TRP 9 2HB TRP 9 13.074 20.176 -13.045 80 HB3 TRP 9 3HB TRP 9 13.109 19.579 -14.702 81 HD1 TRP 9 HD1 TRP 9 15.510 19.968 -15.514 82 HE1 TRP 9 HE1 TRP 9 17.137 21.961 -15.551 83 HE3 TRP 9 HE3 TRP 9 12.748 23.320 -12.818 84 HZ2 TRP 9 HZ2 TRP 9 17.237 24.605 -14.568 85 HZ3 TRP 9 HZ3 TRP 9 13.681 25.560 -12.411 86 HH2 TRP 9 HH2 TRP 9 15.880 26.187 -13.268 87 H GLY 10 H GLY 10 10.954 23.559 -14.813 88 HA2 GLY 10 2HA GLY 10 11.622 25.076 -16.510 89 HA3 GLY 10 3HA GLY 10 12.211 23.717 -17.457 90 H GLY 11 H GLY 11 10.651 22.354 -18.528 91 HA2 GLY 11 2HA GLY 11 7.918 23.344 -18.697 92 HA3 GLY 11 3HA GLY 11 8.880 23.498 -20.160 93 H GLN 12 H GLN 12 9.564 20.813 -18.130 94 HA GLN 12 HA GLN 12 7.949 19.055 -19.850 95 HB2 GLN 12 2HB GLN 12 10.871 18.986 -19.295 96 HB3 GLN 12 3HB GLN 12 10.028 17.445 -19.391 97 HG2 GLN 12 2HG GLN 12 9.657 19.467 -21.551 98 HG3 GLN 12 3HG GLN 12 11.120 18.483 -21.509 99 HE21 GLN 12 1HE2 GLN 12 9.485 18.289 -23.644 100 HE22 GLN 12 2HE2 GLN 12 8.657 16.773 -23.638 101 H GLU 13 H GLU 13 8.032 16.717 -18.864 102 HA GLU 13 HA GLU 13 7.813 16.882 -15.938 103 HB2 GLU 13 2HB GLU 13 5.784 15.715 -17.845 104 HB3 GLU 13 3HB GLU 13 5.786 15.390 -16.118 105 HG2 GLU 13 2HG GLU 13 5.624 17.871 -15.758 106 HG3 GLU 13 3HG GLU 13 5.351 18.025 -17.492 107 H TYR 14 H TYR 14 8.466 15.093 -14.822 108 HA TYR 14 HA TYR 14 9.244 12.719 -16.366 109 HB2 TYR 14 2HB TYR 14 10.981 14.124 -14.325 110 HB3 TYR 14 3HB TYR 14 11.355 12.581 -15.086 111 HD1 TYR 14 HD1 TYR 14 10.720 16.165 -15.856 112 HD2 TYR 14 HD2 TYR 14 12.511 12.518 -17.117 113 HE1 TYR 14 HE1 TYR 14 11.825 17.354 -17.705 114 HE2 TYR 14 HE2 TYR 14 13.621 13.696 -18.969 115 HH TYR 14 HH TYR 14 12.921 17.059 -19.689 116 H SER 15 H SER 15 8.326 10.978 -15.531 117 HA SER 15 HA SER 15 7.189 11.045 -12.873 118 HB2 SER 15 2HB SER 15 6.474 8.662 -13.536 119 HB3 SER 15 3HB SER 15 5.788 10.000 -14.456 120 HG SER 15 HG SER 15 6.737 8.094 -15.628 121 H VAL 16 H VAL 16 7.960 10.077 -11.091 122 HA VAL 16 HA VAL 16 10.574 8.779 -11.284 123 HB VAL 16 HB VAL 16 9.067 9.742 -8.848 124 HG11 VAL 16 1HG1 VAL 16 11.807 8.548 -9.188 125 HG12 VAL 16 2HG1 VAL 16 11.341 9.489 -7.770 126 HG13 VAL 16 3HG1 VAL 16 10.494 7.990 -8.152 127 HG21 VAL 16 3HG2 VAL 16 9.780 11.768 -9.429 128 HG22 VAL 16 1HG2 VAL 16 11.431 11.194 -9.194 129 HG23 VAL 16 2HG2 VAL 16 10.688 11.115 -10.792 130 H THR 17 H THR 17 10.828 6.657 -11.067 131 HA THR 17 HA THR 17 8.787 5.103 -9.643 132 HB THR 17 HB THR 17 9.200 3.301 -11.483 133 HG1 THR 17 HG1 THR 17 9.970 5.719 -12.768 134 HG21 THR 17 3HG2 THR 17 7.551 5.390 -12.699 135 HG22 THR 17 1HG2 THR 17 7.185 5.097 -11.000 136 HG23 THR 17 2HG2 THR 17 7.110 3.770 -12.159 137 H THR 18 H THR 18 10.171 4.755 -7.922 138 HA THR 18 HA THR 18 11.806 2.526 -7.957 139 HB THR 18 HB THR 18 13.467 3.547 -9.262 140 HG1 THR 18 HG1 THR 18 14.982 3.063 -7.875 141 HG21 THR 18 3HG2 THR 18 14.317 5.888 -8.100 142 HG22 THR 18 1HG2 THR 18 12.565 5.985 -7.926 143 HG23 THR 18 2HG2 THR 18 13.283 5.769 -9.523 144 H LEU 19 H LEU 19 11.045 5.622 -6.552 145 HA LEU 19 HA LEU 19 12.104 4.918 -3.951 146 HB2 LEU 19 2HB LEU 19 11.075 7.305 -5.260 147 HB3 LEU 19 3HB LEU 19 10.497 7.133 -3.604 148 HG LEU 19 HG LEU 19 12.525 8.538 -3.810 149 HD11 LEU 19 1HD1 LEU 19 13.871 7.192 -2.088 150 HD12 LEU 19 2HD1 LEU 19 12.575 6.003 -2.212 151 HD13 LEU 19 3HD1 LEU 19 12.216 7.647 -1.682 152 HD21 LEU 19 3HD2 LEU 19 13.854 5.957 -4.629 153 HD22 LEU 19 1HD2 LEU 19 14.666 7.487 -4.297 154 HD23 LEU 19 2HD2 LEU 19 13.574 7.349 -5.676 155 H SER 20 H SER 20 10.861 4.625 -2.068 156 HA SER 20 HA SER 20 8.010 4.040 -2.497 157 HB2 SER 20 2HB SER 20 8.829 2.225 -0.550 158 HB3 SER 20 3HB SER 20 8.454 1.853 -2.232 159 HG SER 20 HG SER 20 11.016 2.750 -1.462 160 H GLU 21 H GLU 21 6.840 3.790 -0.356 161 HA GLU 21 HA GLU 21 7.094 6.139 1.136 162 HB2 GLU 21 2HB GLU 21 5.765 3.589 2.062 163 HB3 GLU 21 3HB GLU 21 5.415 5.224 2.605 164 HG2 GLU 21 2HG GLU 21 4.595 5.790 0.374 165 HG3 GLU 21 3HG GLU 21 4.941 4.148 -0.166 166 H ASP 22 H ASP 22 8.719 3.123 1.411 167 HA ASP 22 HA ASP 22 9.422 3.252 4.156 168 HB2 ASP 22 2HB ASP 22 9.798 1.445 2.039 169 HB3 ASP 22 3HB ASP 22 11.417 1.903 2.559 170 H ASP 23 H ASP 23 10.355 5.124 1.533 171 HA ASP 23 HA ASP 23 12.951 5.803 2.725 172 HB2 ASP 23 2HB ASP 23 11.913 6.796 0.076 173 HB3 ASP 23 3HB ASP 23 13.580 6.727 0.639 174 H THR 24 H THR 24 12.906 8.408 1.323 175 HA THR 24 HA THR 24 10.911 9.864 2.912 176 HB THR 24 HB THR 24 13.111 11.542 2.972 177 HG1 THR 24 HG1 THR 24 13.899 8.840 3.203 178 HG21 THR 24 3HG2 THR 24 13.216 10.552 5.431 179 HG22 THR 24 1HG2 THR 24 11.710 9.788 4.924 180 HG23 THR 24 2HG2 THR 24 11.863 11.545 4.890 181 H VAL 25 H VAL 25 10.835 12.223 2.254 182 HA VAL 25 HA VAL 25 10.324 12.410 -0.508 183 HB VAL 25 HB VAL 25 10.658 14.609 1.536 184 HG11 VAL 25 1HG1 VAL 25 10.907 15.752 -0.455 185 HG12 VAL 25 2HG1 VAL 25 9.851 14.651 -1.342 186 HG13 VAL 25 3HG1 VAL 25 9.162 15.820 -0.215 187 HG21 VAL 25 3HG2 VAL 25 8.116 14.624 1.314 188 HG22 VAL 25 1HG2 VAL 25 8.292 13.050 0.537 189 HG23 VAL 25 2HG2 VAL 25 8.837 13.279 2.199 190 H LEU 26 H LEU 26 13.024 13.567 1.472 191 HA LEU 26 HA LEU 26 14.377 14.986 -0.533 192 HB2 LEU 26 2HB LEU 26 15.982 15.302 1.014 193 HB3 LEU 26 3HB LEU 26 14.747 14.665 2.098 194 HG LEU 26 HG LEU 26 15.919 12.368 1.510 195 HD11 LEU 26 1HD1 LEU 26 18.090 12.436 0.836 196 HD12 LEU 26 2HD1 LEU 26 18.363 14.050 1.493 197 HD13 LEU 26 3HD1 LEU 26 17.487 13.852 -0.025 198 HD21 LEU 26 3HD2 LEU 26 17.232 14.285 3.424 199 HD22 LEU 26 1HD2 LEU 26 17.110 12.530 3.553 200 HD23 LEU 26 2HD2 LEU 26 15.668 13.528 3.732 201 H ASP 27 H ASP 27 14.218 11.584 0.197 202 HA ASP 27 HA ASP 27 16.494 10.800 -1.324 203 HB2 ASP 27 2HB ASP 27 14.904 9.534 0.479 204 HB3 ASP 27 3HB ASP 27 14.295 8.851 -1.026 205 H LEU 28 H LEU 28 13.111 11.321 -2.052 206 HA LEU 28 HA LEU 28 13.273 10.138 -4.675 207 HB2 LEU 28 2HB LEU 28 11.217 10.412 -3.087 208 HB3 LEU 28 3HB LEU 28 11.098 12.005 -3.833 209 HG LEU 28 HG LEU 28 11.308 9.772 -5.732 210 HD11 LEU 28 1HD1 LEU 28 9.293 8.743 -5.350 211 HD12 LEU 28 2HD1 LEU 28 8.653 10.094 -4.415 212 HD13 LEU 28 3HD1 LEU 28 9.849 9.013 -3.699 213 HD21 LEU 28 3HD2 LEU 28 9.979 11.109 -7.032 214 HD22 LEU 28 1HD2 LEU 28 10.757 12.327 -6.021 215 HD23 LEU 28 2HD2 LEU 28 9.118 11.789 -5.651 216 H LYS 29 H LYS 29 12.973 13.440 -3.388 217 HA LYS 29 HA LYS 29 13.038 14.766 -5.863 218 HB2 LYS 29 2HB LYS 29 13.424 15.520 -3.024 219 HB3 LYS 29 3HB LYS 29 14.113 16.615 -4.216 220 HG2 LYS 29 2HG LYS 29 12.052 17.536 -4.031 221 HG3 LYS 29 3HG LYS 29 11.709 16.355 -5.297 222 HD2 LYS 29 2HD LYS 29 11.425 15.411 -2.511 223 HD3 LYS 29 3HD LYS 29 10.240 16.600 -3.059 224 HE2 LYS 29 2HE LYS 29 10.601 14.643 -5.103 225 HE3 LYS 29 3HE LYS 29 10.309 13.818 -3.573 226 HZ1 LYS 29 3HZ LYS 29 8.363 14.703 -5.131 227 HZ2 LYS 29 1HZ LYS 29 8.581 16.080 -4.172 228 HZ3 LYS 29 2HZ LYS 29 8.211 14.596 -3.450 229 H GLN 30 H GLN 30 15.666 14.297 -3.494 230 HA GLN 30 HA GLN 30 17.716 15.386 -5.036 231 HB2 GLN 30 2HB GLN 30 19.175 14.572 -3.443 232 HB3 GLN 30 3HB GLN 30 17.663 14.586 -2.545 233 HG2 GLN 30 2HG GLN 30 18.333 12.506 -2.002 234 HG3 GLN 30 3HG GLN 30 17.534 12.113 -3.523 235 HE21 GLN 30 1HE2 GLN 30 18.661 10.739 -4.678 236 HE22 GLN 30 2HE2 GLN 30 20.382 10.683 -4.814 237 H PHE 31 H PHE 31 16.085 12.366 -5.308 238 HA PHE 31 HA PHE 31 18.145 11.023 -6.789 239 HB2 PHE 31 2HB PHE 31 16.619 9.642 -5.576 240 HB3 PHE 31 3HB PHE 31 15.225 10.419 -6.319 241 HD1 PHE 31 HD2 PHE 31 17.952 8.026 -6.809 242 HD2 PHE 31 HD1 PHE 31 14.495 9.820 -8.527 243 HE1 PHE 31 HE2 PHE 31 17.929 6.297 -8.560 244 HE2 PHE 31 HE1 PHE 31 14.466 8.093 -10.280 245 HZ PHE 31 HZ PHE 31 16.185 6.330 -10.299 246 H LEU 32 H LEU 32 14.950 12.337 -7.673 247 HA LEU 32 HA LEU 32 15.329 12.005 -10.460 248 HB2 LEU 32 2HB LEU 32 13.384 13.573 -10.641 249 HB3 LEU 32 3HB LEU 32 13.110 12.138 -9.655 250 HG LEU 32 HG LEU 32 13.826 13.875 -7.733 251 HD11 LEU 32 1HD1 LEU 32 13.961 15.940 -8.569 252 HD12 LEU 32 2HD1 LEU 32 12.200 15.883 -8.641 253 HD13 LEU 32 3HD1 LEU 32 13.154 15.486 -10.070 254 HD21 LEU 32 3HD2 LEU 32 11.405 14.191 -7.341 255 HD22 LEU 32 1HD2 LEU 32 11.833 12.517 -7.692 256 HD23 LEU 32 2HD2 LEU 32 11.084 13.515 -8.938 257 H LYS 33 H LYS 33 15.749 14.757 -8.275 258 HA LYS 33 HA LYS 33 16.270 16.749 -10.133 259 HB2 LYS 33 2HB LYS 33 16.323 17.833 -8.177 260 HB3 LYS 33 3HB LYS 33 16.663 16.350 -7.295 261 HG2 LYS 33 2HG LYS 33 18.852 17.716 -8.794 262 HG3 LYS 33 3HG LYS 33 18.344 18.326 -7.217 263 HD2 LYS 33 2HD LYS 33 19.146 16.507 -6.104 264 HD3 LYS 33 3HD LYS 33 18.844 15.412 -7.455 265 HE2 LYS 33 2HE LYS 33 20.750 16.498 -8.652 266 HE3 LYS 33 3HE LYS 33 21.096 17.396 -7.175 267 HZ1 LYS 33 3HZ LYS 33 22.224 15.077 -7.741 268 HZ2 LYS 33 1HZ LYS 33 20.860 14.505 -6.919 269 HZ3 LYS 33 2HZ LYS 33 21.921 15.577 -6.154 270 H THR 34 H THR 34 18.260 14.102 -9.090 271 HA THR 34 HA THR 34 20.713 15.184 -10.138 272 HB THR 34 HB THR 34 20.195 13.230 -8.317 273 HG1 THR 34 HG1 THR 34 22.548 12.674 -8.879 274 HG21 THR 34 3HG2 THR 34 19.527 11.758 -10.302 275 HG22 THR 34 1HG2 THR 34 20.686 11.088 -9.154 276 HG23 THR 34 2HG2 THR 34 21.245 11.727 -10.700 277 H LEU 35 H LEU 35 18.058 13.352 -11.363 278 HA LEU 35 HA LEU 35 19.455 12.218 -13.597 279 HB2 LEU 35 2HB LEU 35 16.488 12.617 -13.435 280 HB3 LEU 35 3HB LEU 35 17.385 11.360 -14.284 281 HG LEU 35 HG LEU 35 17.088 11.593 -11.289 282 HD11 LEU 35 1HD1 LEU 35 15.399 10.083 -11.365 283 HD12 LEU 35 2HD1 LEU 35 16.000 9.314 -12.833 284 HD13 LEU 35 3HD1 LEU 35 15.132 10.845 -12.933 285 HD21 LEU 35 3HD2 LEU 35 18.250 9.534 -11.132 286 HD22 LEU 35 1HD2 LEU 35 19.230 10.586 -12.154 287 HD23 LEU 35 2HD2 LEU 35 18.245 9.317 -12.883 288 H THR 36 H THR 36 16.903 14.704 -13.376 289 HA THR 36 HA THR 36 18.170 16.096 -15.631 290 HB THR 36 HB THR 36 16.348 14.894 -16.645 291 HG1 THR 36 HG1 THR 36 16.501 16.960 -17.455 292 HG21 THR 36 3HG2 THR 36 15.095 14.584 -14.465 293 HG22 THR 36 1HG2 THR 36 14.102 14.935 -15.879 294 HG23 THR 36 2HG2 THR 36 14.450 16.207 -14.708 295 H GLY 37 H GLY 37 16.284 16.185 -12.712 296 HA2 GLY 37 2HA GLY 37 15.551 18.911 -12.744 297 HA3 GLY 37 3HA GLY 37 15.684 17.902 -11.311 298 H VAL 38 H VAL 38 16.377 20.244 -10.669 299 HA VAL 38 HA VAL 38 19.293 20.483 -11.027 300 HB VAL 38 HB VAL 38 18.383 22.475 -11.853 301 HG11 VAL 38 1HG1 VAL 38 16.200 22.751 -11.420 302 HG12 VAL 38 2HG1 VAL 38 16.320 22.003 -9.826 303 HG13 VAL 38 3HG1 VAL 38 16.760 23.697 -10.041 304 HG21 VAL 38 3HG2 VAL 38 19.065 24.194 -10.275 305 HG22 VAL 38 1HG2 VAL 38 18.990 23.032 -8.951 306 HG23 VAL 38 2HG2 VAL 38 20.191 22.838 -10.227 307 H LEU 39 H LEU 39 20.604 20.518 -9.276 308 HA LEU 39 HA LEU 39 19.831 19.368 -6.881 309 HB2 LEU 39 2HB LEU 39 21.972 20.586 -6.010 310 HB3 LEU 39 3HB LEU 39 22.093 19.288 -7.197 311 HG LEU 39 HG LEU 39 23.531 21.381 -7.538 312 HD11 LEU 39 1HD1 LEU 39 22.277 19.600 -9.320 313 HD12 LEU 39 2HD1 LEU 39 23.763 20.517 -9.564 314 HD13 LEU 39 3HD1 LEU 39 22.215 21.196 -10.067 315 HD21 LEU 39 3HD2 LEU 39 20.866 22.444 -8.471 316 HD22 LEU 39 1HD2 LEU 39 22.431 23.213 -8.732 317 HD23 LEU 39 2HD2 LEU 39 21.798 23.035 -7.095 318 HA PRO 40 HA PRO 40 17.838 22.507 -4.540 319 HB2 PRO 40 2HB PRO 40 18.495 21.729 -2.024 320 HB3 PRO 40 3HB PRO 40 17.322 20.861 -3.023 321 HG2 PRO 40 2HG PRO 40 20.207 20.241 -2.518 322 HG3 PRO 40 3HG PRO 40 18.818 19.140 -2.566 323 HD2 PRO 40 2HD PRO 40 20.529 19.418 -4.646 324 HD3 PRO 40 3HD PRO 40 18.805 19.054 -4.869 325 H GLU 41 H GLU 41 21.259 21.968 -4.228 326 HA GLU 41 HA GLU 41 21.998 23.944 -2.433 327 HB2 GLU 41 2HB GLU 41 23.611 22.354 -3.269 328 HB3 GLU 41 3HB GLU 41 23.425 22.964 -4.907 329 HG2 GLU 41 2HG GLU 41 24.956 24.528 -4.582 330 HG3 GLU 41 3HG GLU 41 24.168 25.082 -3.106 331 H ARG 42 H ARG 42 21.213 24.204 -5.857 332 HA ARG 42 HA ARG 42 21.600 27.113 -5.710 333 HB2 ARG 42 2HB ARG 42 21.715 25.118 -7.917 334 HB3 ARG 42 3HB ARG 42 21.155 26.737 -8.313 335 HG2 ARG 42 2HG ARG 42 23.285 27.304 -8.542 336 HG3 ARG 42 3HG ARG 42 23.430 27.160 -6.789 337 HD2 ARG 42 2HD ARG 42 23.848 24.670 -7.220 338 HD3 ARG 42 3HD ARG 42 24.101 25.136 -8.902 339 HE ARG 42 HE ARG 42 25.716 26.803 -7.440 340 HH11 ARG 42 1HH1 ARG 42 25.364 23.360 -7.821 341 HH12 ARG 42 2HH1 ARG 42 27.036 23.024 -7.513 342 HH21 ARG 42 1HH2 ARG 42 27.919 26.373 -7.032 343 HH22 ARG 42 2HH2 ARG 42 28.488 24.738 -7.063 344 H GLN 43 H GLN 43 19.264 24.614 -6.587 345 HA GLN 43 HA GLN 43 17.192 26.642 -6.963 346 HB2 GLN 43 2HB GLN 43 15.980 25.077 -8.145 347 HB3 GLN 43 3HB GLN 43 17.624 24.556 -8.490 348 HG2 GLN 43 2HG GLN 43 16.492 22.589 -7.997 349 HG3 GLN 43 3HG GLN 43 17.353 22.975 -6.508 350 HE21 GLN 43 1HE2 GLN 43 14.335 24.225 -7.877 351 HE22 GLN 43 2HE2 GLN 43 13.346 23.810 -6.523 352 H LYS 44 H LYS 44 15.104 26.377 -5.919 353 HA LYS 44 HA LYS 44 15.256 24.972 -3.337 354 HB2 LYS 44 2HB LYS 44 14.067 26.848 -2.283 355 HB3 LYS 44 3HB LYS 44 15.620 27.350 -2.938 356 HG2 LYS 44 2HG LYS 44 14.305 29.070 -3.645 357 HG3 LYS 44 3HG LYS 44 14.163 27.986 -5.031 358 HD2 LYS 44 2HD LYS 44 11.972 27.698 -4.697 359 HD3 LYS 44 3HD LYS 44 12.195 27.415 -2.969 360 HE2 LYS 44 2HE LYS 44 10.833 29.356 -3.210 361 HE3 LYS 44 3HE LYS 44 12.428 29.890 -2.683 362 HZ1 LYS 44 3HZ LYS 44 12.713 31.056 -4.542 363 HZ2 LYS 44 1HZ LYS 44 11.056 30.856 -4.819 364 HZ3 LYS 44 2HZ LYS 44 12.166 29.802 -5.537 365 H LEU 45 H LEU 45 13.420 23.947 -2.663 366 HA LEU 45 HA LEU 45 11.487 23.263 -4.609 367 HB2 LEU 45 2HB LEU 45 11.685 22.805 -1.649 368 HB3 LEU 45 3HB LEU 45 10.294 22.256 -2.582 369 HG LEU 45 HG LEU 45 11.768 20.405 -2.283 370 HD11 LEU 45 1HD1 LEU 45 12.248 21.396 -5.083 371 HD12 LEU 45 2HD1 LEU 45 10.695 20.772 -4.528 372 HD13 LEU 45 3HD1 LEU 45 12.116 19.727 -4.526 373 HD21 LEU 45 3HD2 LEU 45 14.087 20.416 -2.916 374 HD22 LEU 45 1HD2 LEU 45 13.796 21.753 -1.802 375 HD23 LEU 45 2HD2 LEU 45 13.955 22.065 -3.531 376 H LEU 46 H LEU 46 9.487 24.027 -5.022 377 HA LEU 46 HA LEU 46 8.764 26.592 -3.969 378 HB2 LEU 46 2HB LEU 46 7.521 24.696 -5.929 379 HB3 LEU 46 3HB LEU 46 6.652 26.124 -5.374 380 HG LEU 46 HG LEU 46 7.666 26.593 -7.499 381 HD11 LEU 46 1HD1 LEU 46 9.554 28.019 -5.722 382 HD12 LEU 46 2HD1 LEU 46 7.833 28.201 -5.382 383 HD13 LEU 46 3HD1 LEU 46 8.470 28.643 -6.966 384 HD21 LEU 46 3HD2 LEU 46 9.723 25.962 -8.139 385 HD22 LEU 46 1HD2 LEU 46 9.614 24.843 -6.780 386 HD23 LEU 46 2HD2 LEU 46 10.448 26.386 -6.588 387 H GLY 47 H GLY 47 6.726 23.678 -4.216 388 HA2 GLY 47 2HA GLY 47 5.408 24.486 -1.722 389 HA3 GLY 47 3HA GLY 47 4.770 23.353 -2.903 390 H LEU 48 H LEU 48 7.665 23.656 -0.839 391 HA LEU 48 HA LEU 48 8.190 20.923 -0.636 392 HB2 LEU 48 2HB LEU 48 9.519 21.493 1.335 393 HB3 LEU 48 3HB LEU 48 9.813 22.600 -0.005 394 HG LEU 48 HG LEU 48 8.033 24.075 1.260 395 HD11 LEU 48 1HD1 LEU 48 7.409 22.599 2.995 396 HD12 LEU 48 2HD1 LEU 48 8.435 23.825 3.739 397 HD13 LEU 48 3HD1 LEU 48 9.088 22.226 3.384 398 HD21 LEU 48 3HD2 LEU 48 10.669 24.244 0.871 399 HD22 LEU 48 1HD2 LEU 48 10.659 24.059 2.625 400 HD23 LEU 48 2HD2 LEU 48 9.776 25.389 1.874 401 H LYS 49 H LYS 49 5.721 22.805 0.795 402 HA LYS 49 HA LYS 49 5.119 20.659 2.719 403 HB2 LYS 49 2HB LYS 49 3.460 22.699 3.433 404 HB3 LYS 49 3HB LYS 49 5.045 22.409 4.138 405 HG2 LYS 49 2HG LYS 49 6.056 24.037 2.718 406 HG3 LYS 49 3HG LYS 49 4.573 24.212 1.776 407 HD2 LYS 49 2HD LYS 49 3.825 25.766 3.180 408 HD3 LYS 49 3HD LYS 49 4.003 24.663 4.546 409 HE2 LYS 49 2HE LYS 49 6.378 26.094 3.414 410 HE3 LYS 49 3HE LYS 49 5.301 26.904 4.550 411 HZ1 LYS 49 3HZ LYS 49 5.788 25.333 6.213 412 HZ2 LYS 49 1HZ LYS 49 7.283 25.747 5.538 413 HZ3 LYS 49 2HZ LYS 49 6.547 24.280 5.129 414 H VAL 50 H VAL 50 3.086 19.738 2.774 415 HA VAL 50 HA VAL 50 1.097 20.625 0.826 416 HB VAL 50 HB VAL 50 2.495 18.896 -0.301 417 HG11 VAL 50 1HG1 VAL 50 2.835 17.633 1.915 418 HG12 VAL 50 2HG1 VAL 50 1.278 16.882 1.556 419 HG13 VAL 50 3HG1 VAL 50 2.629 16.691 0.438 420 HG21 VAL 50 3HG2 VAL 50 0.684 18.304 -1.463 421 HG22 VAL 50 1HG2 VAL 50 -0.006 17.438 -0.091 422 HG23 VAL 50 2HG2 VAL 50 -0.255 19.177 -0.252 423 H LYS 51 H LYS 51 -1.015 20.066 1.334 424 HA LYS 51 HA LYS 51 -2.768 19.673 2.733 425 HB2 LYS 51 2HB LYS 51 -1.062 17.345 3.637 426 HB3 LYS 51 3HB LYS 51 -2.798 17.508 3.867 427 HG2 LYS 51 2HG LYS 51 -2.196 17.810 1.095 428 HG3 LYS 51 3HG LYS 51 -1.427 16.342 1.703 429 HD2 LYS 51 2HD LYS 51 -3.748 15.928 2.821 430 HD3 LYS 51 3HD LYS 51 -4.326 17.066 1.602 431 HE2 LYS 51 2HE LYS 51 -3.399 15.662 -0.162 432 HE3 LYS 51 3HE LYS 51 -2.776 14.538 1.045 433 HZ1 LYS 51 3HZ LYS 51 -5.635 15.146 0.520 434 HZ2 LYS 51 1HZ LYS 51 -5.074 14.133 1.754 435 HZ3 LYS 51 2HZ LYS 51 -4.826 13.711 0.135 436 H GLY 52 H GLY 52 -0.659 21.439 3.674 437 HA2 GLY 52 2HA GLY 52 -0.485 22.726 5.602 438 HA3 GLY 52 3HA GLY 52 -1.456 21.534 6.452 439 H LYS 53 H LYS 53 0.671 19.595 5.130 440 HA LYS 53 HA LYS 53 2.296 19.459 7.510 441 HB2 LYS 53 2HB LYS 53 2.179 17.783 5.003 442 HB3 LYS 53 3HB LYS 53 3.318 17.477 6.307 443 HG2 LYS 53 2HG LYS 53 0.323 17.493 6.615 444 HG3 LYS 53 3HG LYS 53 1.313 16.047 6.405 445 HD2 LYS 53 2HD LYS 53 1.819 16.009 8.572 446 HD3 LYS 53 3HD LYS 53 2.369 17.686 8.521 447 HE2 LYS 53 2HE LYS 53 -0.170 18.241 8.547 448 HE3 LYS 53 3HE LYS 53 -0.345 16.597 9.157 449 HZ1 LYS 53 3HZ LYS 53 1.541 17.434 10.775 450 HZ2 LYS 53 1HZ LYS 53 -0.097 17.700 11.106 451 HZ3 LYS 53 2HZ LYS 53 0.842 18.938 10.438 452 HA PRO 54 HA PRO 54 5.819 21.658 6.077 453 HB2 PRO 54 2HB PRO 54 7.795 20.342 7.395 454 HB3 PRO 54 3HB PRO 54 6.662 21.433 8.203 455 HG2 PRO 54 2HG PRO 54 6.626 18.444 8.042 456 HG3 PRO 54 3HG PRO 54 6.306 19.493 9.435 457 HD2 PRO 54 2HD PRO 54 4.324 18.353 7.985 458 HD3 PRO 54 3HD PRO 54 4.146 19.938 8.764 459 H ALA 55 H ALA 55 5.880 18.135 5.855 460 HA ALA 55 HA ALA 55 7.138 16.726 4.524 461 HB1 ALA 55 1HB ALA 55 5.322 17.035 3.091 462 HB2 ALA 55 2HB ALA 55 5.800 18.685 2.689 463 HB3 ALA 55 3HB ALA 55 6.728 17.321 2.065 464 H GLU 56 H GLU 56 8.893 18.489 5.706 465 HA GLU 56 HA GLU 56 10.507 19.985 3.982 466 HB2 GLU 56 2HB GLU 56 10.590 20.078 6.467 467 HB3 GLU 56 3HB GLU 56 11.380 18.507 6.470 468 HG2 GLU 56 2HG GLU 56 13.331 19.525 6.307 469 HG3 GLU 56 3HG GLU 56 12.859 20.127 4.719 470 H ASN 57 H ASN 57 11.621 16.956 5.468 471 HA ASN 57 HA ASN 57 12.270 15.765 2.937 472 HB2 ASN 57 2HB ASN 57 14.790 15.627 3.911 473 HB3 ASN 57 3HB ASN 57 14.259 16.850 2.760 474 HD21 ASN 57 1HD2 ASN 57 14.440 16.233 6.243 475 HD22 ASN 57 2HD2 ASN 57 14.821 17.860 6.685 476 H ASP 58 H ASP 58 12.639 15.782 6.438 477 HA ASP 58 HA ASP 58 13.389 13.064 6.710 478 HB2 ASP 58 2HB ASP 58 13.722 14.785 8.472 479 HB3 ASP 58 3HB ASP 58 11.979 14.826 8.725 480 H VAL 59 H VAL 59 10.513 14.441 5.719 481 HA VAL 59 HA VAL 59 8.698 12.555 6.910 482 HB VAL 59 HB VAL 59 8.172 14.315 4.517 483 HG11 VAL 59 1HG1 VAL 59 6.380 13.002 6.553 484 HG12 VAL 59 2HG1 VAL 59 5.835 14.198 5.376 485 HG13 VAL 59 3HG1 VAL 59 6.479 12.649 4.829 486 HG21 VAL 59 3HG2 VAL 59 8.608 16.025 5.906 487 HG22 VAL 59 1HG2 VAL 59 7.055 15.615 6.634 488 HG23 VAL 59 2HG2 VAL 59 8.549 15.003 7.342 489 H LYS 60 H LYS 60 7.676 10.821 5.928 490 HA LYS 60 HA LYS 60 9.167 9.605 3.744 491 HB2 LYS 60 2HB LYS 60 6.975 8.544 5.534 492 HB3 LYS 60 3HB LYS 60 7.743 7.608 4.258 493 HG2 LYS 60 2HG LYS 60 9.944 8.196 5.488 494 HG3 LYS 60 3HG LYS 60 8.882 8.558 6.851 495 HD2 LYS 60 2HD LYS 60 8.178 6.042 5.616 496 HD3 LYS 60 3HD LYS 60 9.874 6.059 6.105 497 HE2 LYS 60 2HE LYS 60 9.374 6.205 8.320 498 HE3 LYS 60 3HE LYS 60 7.895 7.121 8.038 499 HZ1 LYS 60 3HZ LYS 60 6.675 5.241 7.743 500 HZ2 LYS 60 1HZ LYS 60 7.834 4.630 8.814 501 HZ3 LYS 60 2HZ LYS 60 7.974 4.332 7.155 502 H LEU 61 H LEU 61 8.187 8.804 1.841 503 HA LEU 61 HA LEU 61 6.500 10.504 0.494 504 HB2 LEU 61 2HB LEU 61 6.564 7.547 -0.030 505 HB3 LEU 61 3HB LEU 61 6.310 8.853 -1.186 506 HG LEU 61 HG LEU 61 8.900 8.148 0.190 507 HD11 LEU 61 1HD1 LEU 61 8.372 8.117 -2.755 508 HD12 LEU 61 2HD1 LEU 61 7.967 6.726 -1.750 509 HD13 LEU 61 3HD1 LEU 61 9.634 7.295 -1.836 510 HD21 LEU 61 3HD2 LEU 61 9.393 10.308 -0.114 511 HD22 LEU 61 1HD2 LEU 61 7.998 10.575 -1.160 512 HD23 LEU 61 2HD2 LEU 61 9.485 9.903 -1.828 513 H GLY 62 H GLY 62 5.622 7.510 2.203 514 HA2 GLY 62 2HA GLY 62 2.817 7.839 1.662 515 HA3 GLY 62 3HA GLY 62 3.542 6.645 2.728 516 H ALA 63 H ALA 63 4.934 9.221 3.906 517 HA ALA 63 HA ALA 63 3.054 9.488 6.068 518 HB1 ALA 63 1HB ALA 63 5.457 9.403 6.499 519 HB2 ALA 63 2HB ALA 63 5.675 10.903 5.597 520 HB3 ALA 63 3HB ALA 63 4.750 10.904 7.099 521 H LEU 64 H LEU 64 4.057 11.388 3.305 522 HA LEU 64 HA LEU 64 2.751 13.794 4.175 523 HB2 LEU 64 2HB LEU 64 3.373 13.329 1.310 524 HB3 LEU 64 3HB LEU 64 3.591 14.776 2.293 525 HG LEU 64 HG LEU 64 5.357 12.670 3.170 526 HD11 LEU 64 1HD1 LEU 64 6.641 12.251 1.286 527 HD12 LEU 64 2HD1 LEU 64 5.935 13.590 0.381 528 HD13 LEU 64 3HD1 LEU 64 4.992 12.128 0.673 529 HD21 LEU 64 3HD2 LEU 64 5.514 15.132 3.593 530 HD22 LEU 64 1HD2 LEU 64 5.982 15.330 1.904 531 HD23 LEU 64 2HD2 LEU 64 6.999 14.389 2.995 532 H LYS 65 H LYS 65 1.833 10.937 2.478 533 HA LYS 65 HA LYS 65 -0.156 10.208 1.649 534 HB2 LYS 65 2HB LYS 65 -1.404 12.645 2.919 535 HB3 LYS 65 3HB LYS 65 -2.185 11.118 2.530 536 HG2 LYS 65 2HG LYS 65 0.009 11.422 4.568 537 HG3 LYS 65 3HG LYS 65 -1.716 11.441 4.946 538 HD2 LYS 65 2HD LYS 65 -1.959 9.189 4.081 539 HD3 LYS 65 3HD LYS 65 -0.263 9.168 3.592 540 HE2 LYS 65 2HE LYS 65 -0.286 8.000 5.614 541 HE3 LYS 65 3HE LYS 65 0.253 9.618 6.061 542 HZ1 LYS 65 3HZ LYS 65 -1.433 8.726 7.579 543 HZ2 LYS 65 1HZ LYS 65 -2.539 8.638 6.302 544 HZ3 LYS 65 2HZ LYS 65 -1.957 10.141 6.814 545 H LEU 66 H LEU 66 1.486 11.840 0.015 546 HA LEU 66 HA LEU 66 -0.306 13.614 -1.432 547 HB2 LEU 66 2HB LEU 66 2.566 13.212 -1.230 548 HB3 LEU 66 3HB LEU 66 2.028 13.406 -2.897 549 HG LEU 66 HG LEU 66 1.502 15.365 -0.662 550 HD11 LEU 66 1HD1 LEU 66 3.733 15.694 -1.021 551 HD12 LEU 66 2HD1 LEU 66 3.066 16.731 -2.282 552 HD13 LEU 66 3HD1 LEU 66 3.665 15.123 -2.689 553 HD21 LEU 66 3HD2 LEU 66 0.307 15.012 -3.230 554 HD22 LEU 66 1HD2 LEU 66 1.237 16.511 -3.226 555 HD23 LEU 66 2HD2 LEU 66 -0.017 16.249 -2.014 556 H LYS 67 H LYS 67 -0.783 13.375 -3.664 557 HA LYS 67 HA LYS 67 -1.436 10.721 -4.426 558 HB2 LYS 67 2HB LYS 67 -1.826 13.426 -5.497 559 HB3 LYS 67 3HB LYS 67 -1.670 12.187 -6.735 560 HG2 LYS 67 2HG LYS 67 -3.963 12.341 -6.320 561 HG3 LYS 67 3HG LYS 67 -3.444 10.898 -5.445 562 HD2 LYS 67 2HD LYS 67 -3.263 13.332 -3.849 563 HD3 LYS 67 3HD LYS 67 -4.904 12.986 -4.400 564 HE2 LYS 67 2HE LYS 67 -4.326 10.560 -3.587 565 HE3 LYS 67 3HE LYS 67 -3.118 11.397 -2.614 566 HZ1 LYS 67 3HZ LYS 67 -5.986 11.319 -2.318 567 HZ2 LYS 67 1HZ LYS 67 -5.324 12.869 -2.173 568 HZ3 LYS 67 2HZ LYS 67 -4.786 11.623 -1.164 569 HA PRO 68 HA PRO 68 2.062 9.370 -6.704 570 HB2 PRO 68 2HB PRO 68 0.931 8.120 -8.832 571 HB3 PRO 68 3HB PRO 68 0.889 7.457 -7.194 572 HG2 PRO 68 2HG PRO 68 -1.222 8.974 -8.679 573 HG3 PRO 68 3HG PRO 68 -1.388 7.532 -7.661 574 HD2 PRO 68 2HD PRO 68 -1.984 10.020 -6.772 575 HD3 PRO 68 3HD PRO 68 -1.343 8.753 -5.706 576 H ASN 69 H ASN 69 -0.385 11.091 -8.593 577 HA ASN 69 HA ASN 69 1.430 11.704 -10.738 578 HB2 ASN 69 2HB ASN 69 -1.236 13.008 -10.169 579 HB3 ASN 69 3HB ASN 69 -0.391 12.922 -11.712 580 HD21 ASN 69 1HD2 ASN 69 0.335 10.333 -11.883 581 HD22 ASN 69 2HD2 ASN 69 -1.060 9.315 -11.923 582 H THR 70 H THR 70 0.789 13.002 -7.670 583 HA THR 70 HA THR 70 0.934 15.653 -7.679 584 HB THR 70 HB THR 70 2.740 13.839 -6.074 585 HG1 THR 70 HG1 THR 70 1.056 13.686 -4.782 586 HG21 THR 70 3HG2 THR 70 2.684 15.902 -4.495 587 HG22 THR 70 1HG2 THR 70 2.317 16.804 -5.965 588 HG23 THR 70 2HG2 THR 70 3.818 15.885 -5.845 589 H LYS 71 H LYS 71 2.020 17.151 -8.757 590 HA LYS 71 HA LYS 71 4.552 16.462 -10.029 591 HB2 LYS 71 2HB LYS 71 3.038 19.055 -10.300 592 HB3 LYS 71 3HB LYS 71 4.243 18.388 -11.394 593 HG2 LYS 71 2HG LYS 71 2.530 17.644 -12.596 594 HG3 LYS 71 3HG LYS 71 2.307 16.433 -11.332 595 HD2 LYS 71 2HD LYS 71 0.522 17.526 -10.409 596 HD3 LYS 71 3HD LYS 71 1.092 19.116 -10.923 597 HE2 LYS 71 2HE LYS 71 0.573 18.347 -13.298 598 HE3 LYS 71 3HE LYS 71 -0.304 17.011 -12.553 599 HZ1 LYS 71 3HZ LYS 71 -1.877 18.428 -11.666 600 HZ2 LYS 71 1HZ LYS 71 -1.568 19.149 -13.165 601 HZ3 LYS 71 2HZ LYS 71 -0.879 19.791 -11.761 602 H ILE 72 H ILE 72 6.465 17.605 -9.727 603 HA ILE 72 HA ILE 72 6.540 19.277 -7.300 604 HB ILE 72 HB ILE 72 8.795 17.601 -8.404 605 HG12 ILE 72 2HG1 ILE 72 7.030 16.144 -7.584 606 HG13 ILE 72 3HG1 ILE 72 8.376 16.131 -6.450 607 HG21 ILE 72 1HG2 ILE 72 9.629 18.032 -5.995 608 HG22 ILE 72 2HG2 ILE 72 9.792 19.310 -7.198 609 HG23 ILE 72 3HG2 ILE 72 8.486 19.375 -6.015 610 HD11 ILE 72 3HD1 ILE 72 6.200 16.204 -5.333 611 HD12 ILE 72 1HD1 ILE 72 7.183 17.622 -4.972 612 HD13 ILE 72 2HD1 ILE 72 5.855 17.740 -6.128 613 H MET 73 H MET 73 7.257 21.300 -7.499 614 HA MET 73 HA MET 73 8.362 22.125 -10.085 615 HB2 MET 73 2HB MET 73 7.085 23.678 -7.835 616 HB3 MET 73 3HB MET 73 7.865 24.450 -9.209 617 HG2 MET 73 2HG MET 73 6.269 23.620 -10.718 618 HG3 MET 73 3HG MET 73 5.648 22.460 -9.547 619 HE1 MET 73 3HE MET 73 4.646 22.940 -7.506 620 HE2 MET 73 1HE MET 73 4.786 24.539 -6.774 621 HE3 MET 73 2HE MET 73 3.250 24.017 -7.466 622 H MET 74 H MET 74 10.314 23.156 -10.286 623 HA MET 74 HA MET 74 11.918 23.490 -7.845 624 HB2 MET 74 2HB MET 74 12.918 22.282 -10.430 625 HB3 MET 74 3HB MET 74 13.872 22.562 -8.980 626 HG2 MET 74 2HG MET 74 12.918 20.815 -7.845 627 HG3 MET 74 3HG MET 74 11.436 20.864 -8.798 628 HE1 MET 74 3HE MET 74 13.090 17.998 -8.139 629 HE2 MET 74 1HE MET 74 14.526 17.822 -9.148 630 HE3 MET 74 2HE MET 74 14.441 19.117 -7.954 631 H MET 75 H MET 75 12.801 25.444 -7.687 632 HA MET 75 HA MET 75 13.070 27.050 -10.143 633 HB2 MET 75 2HB MET 75 12.393 27.893 -7.326 634 HB3 MET 75 3HB MET 75 12.854 29.033 -8.583 635 HG2 MET 75 2HG MET 75 10.709 27.202 -9.353 636 HG3 MET 75 3HG MET 75 10.311 28.268 -8.007 637 HE1 MET 75 3HE MET 75 8.353 29.986 -9.712 638 HE2 MET 75 1HE MET 75 9.247 30.050 -8.193 639 HE3 MET 75 2HE MET 75 9.380 31.374 -9.350 640 H GLY 76 H GLY 76 15.095 27.465 -10.718 641 HA2 GLY 76 2HA GLY 76 17.076 28.628 -9.254 642 HA3 GLY 76 3HA GLY 76 17.285 26.913 -8.934 643 H THR 77 H THR 77 19.359 27.060 -9.938 644 HA THR 77 HA THR 77 19.182 26.920 -12.869 645 HB THR 77 HB THR 77 20.140 29.076 -12.477 646 HG1 THR 77 HG1 THR 77 21.200 27.747 -14.065 647 HG21 THR 77 3HG2 THR 77 21.232 27.839 -10.159 648 HG22 THR 77 1HG2 THR 77 21.239 29.546 -10.599 649 HG23 THR 77 2HG2 THR 77 22.562 28.497 -11.110 650 H ARG 78 H ARG 78 20.531 25.434 -13.857 651 HA ARG 78 HA ARG 78 21.258 23.168 -12.361 652 HB2 ARG 78 2HB ARG 78 21.734 24.072 -15.173 653 HB3 ARG 78 3HB ARG 78 22.599 22.666 -14.566 654 HG2 ARG 78 2HG ARG 78 20.824 21.517 -15.275 655 HG3 ARG 78 3HG ARG 78 20.041 22.113 -13.810 656 HD2 ARG 78 2HD ARG 78 18.551 23.201 -15.042 657 HD3 ARG 78 3HD ARG 78 19.846 24.132 -15.793 658 HE ARG 78 HE ARG 78 18.445 21.873 -16.918 659 HH11 ARG 78 1HH1 ARG 78 21.293 23.871 -17.045 660 HH12 ARG 78 2HH1 ARG 78 21.653 23.480 -18.694 661 HH21 ARG 78 1HH2 ARG 78 18.908 21.351 -19.089 662 HH22 ARG 78 2HH2 ARG 78 20.295 22.047 -19.856 663 H GLU 79 H GLU 79 23.392 22.231 -12.105 664 HA GLU 79 HA GLU 79 25.252 24.118 -11.038 665 HB2 GLU 79 2HB GLU 79 26.661 22.093 -10.620 666 HB3 GLU 79 3HB GLU 79 25.041 21.998 -9.943 667 HG2 GLU 79 2HG GLU 79 24.343 20.426 -11.490 668 HG3 GLU 79 3HG GLU 79 25.619 20.838 -12.633 669 H GLU 80 H GLU 80 27.699 23.646 -11.599 670 HA GLU 80 HA GLU 80 28.022 23.505 -14.515 671 HB2 GLU 80 2HB GLU 80 28.482 25.814 -12.785 672 HB3 GLU 80 3HB GLU 80 29.893 25.388 -13.743 673 HG2 GLU 80 2HG GLU 80 28.907 26.751 -15.237 674 HG3 GLU 80 3HG GLU 80 28.041 25.275 -15.658 675 H SER 81 H SER 81 29.094 21.599 -14.584 676 HA SER 81 HA SER 81 31.832 21.512 -13.999 677 HB2 SER 81 2HB SER 81 31.599 21.207 -11.733 678 HB3 SER 81 3HB SER 81 30.014 20.450 -11.889 679 HG SER 81 HG SER 81 32.470 19.303 -11.774 680 HN1 NH2 90 H1 NH2 90 30.381 17.817 -14.715 Start of MODEL 6 1 H1 MET 1 H MET 1 4.757 -1.104 0.142 2 HA MET 1 HA MET 1 4.098 -1.333 -2.342 3 HB2 MET 1 2HB MET 1 2.136 0.278 -2.768 4 HB3 MET 1 3HB MET 1 1.766 -1.333 -2.166 5 HG2 MET 1 2HG MET 1 1.539 -0.443 0.093 6 HG3 MET 1 3HG MET 1 1.919 1.171 -0.505 7 HE1 MET 1 3HE MET 1 -1.215 -1.308 0.115 8 HE2 MET 1 1HE MET 1 -0.402 -0.146 1.164 9 HE3 MET 1 2HE MET 1 -1.994 0.227 0.501 10 H ALA 2 H ALA 2 4.119 0.717 -3.745 11 HA ALA 2 HA ALA 2 5.745 2.754 -2.370 12 HB1 ALA 2 1HB ALA 2 6.289 1.195 -4.679 13 HB2 ALA 2 2HB ALA 2 6.148 2.882 -5.174 14 HB3 ALA 2 3HB ALA 2 7.298 2.425 -3.917 15 H LEU 3 H LEU 3 5.448 4.937 -2.899 16 HA LEU 3 HA LEU 3 2.844 5.525 -4.137 17 HB2 LEU 3 2HB LEU 3 4.184 6.481 -1.753 18 HB3 LEU 3 3HB LEU 3 3.689 7.808 -2.802 19 HG LEU 3 HG LEU 3 1.854 5.668 -1.722 20 HD11 LEU 3 1HD1 LEU 3 1.525 8.468 -0.898 21 HD12 LEU 3 2HD1 LEU 3 2.959 7.661 -0.265 22 HD13 LEU 3 3HD1 LEU 3 1.361 6.980 0.033 23 HD21 LEU 3 3HD2 LEU 3 1.309 8.187 -3.289 24 HD22 LEU 3 1HD2 LEU 3 0.078 7.161 -2.551 25 HD23 LEU 3 2HD2 LEU 3 1.090 6.528 -3.850 26 HA PRO 4 HA PRO 4 5.433 7.258 -7.375 27 HB2 PRO 4 2HB PRO 4 3.380 7.704 -9.094 28 HB3 PRO 4 3HB PRO 4 4.114 6.112 -8.867 29 HG2 PRO 4 2HG PRO 4 1.594 7.222 -7.692 30 HG3 PRO 4 3HG PRO 4 1.898 5.612 -8.370 31 HD2 PRO 4 2HD PRO 4 1.877 6.089 -5.705 32 HD3 PRO 4 3HD PRO 4 2.916 4.855 -6.446 33 H ILE 5 H ILE 5 5.682 9.330 -8.312 34 HA ILE 5 HA ILE 5 3.848 11.447 -7.543 35 HB ILE 5 HB ILE 5 6.750 11.554 -6.713 36 HG12 ILE 5 2HG1 ILE 5 4.221 11.263 -5.080 37 HG13 ILE 5 3HG1 ILE 5 5.510 10.075 -5.243 38 HG21 ILE 5 1HG2 ILE 5 5.743 13.707 -7.446 39 HG22 ILE 5 2HG2 ILE 5 4.538 13.525 -6.172 40 HG23 ILE 5 3HG2 ILE 5 6.243 13.692 -5.755 41 HD11 ILE 5 3HD1 ILE 5 6.734 12.420 -4.328 42 HD12 ILE 5 1HD1 ILE 5 5.254 12.234 -3.387 43 HD13 ILE 5 2HD1 ILE 5 6.441 10.929 -3.433 44 H ILE 6 H ILE 6 3.795 13.072 -8.998 45 HA ILE 6 HA ILE 6 5.556 12.830 -11.318 46 HB ILE 6 HB ILE 6 2.940 14.233 -10.857 47 HG12 ILE 6 2HG1 ILE 6 3.341 12.668 -13.291 48 HG13 ILE 6 3HG1 ILE 6 3.619 11.729 -11.828 49 HG21 ILE 6 1HG2 ILE 6 4.890 14.667 -13.105 50 HG22 ILE 6 2HG2 ILE 6 3.172 15.039 -13.240 51 HG23 ILE 6 3HG2 ILE 6 4.163 15.873 -12.043 52 HD11 ILE 6 3HD1 ILE 6 1.173 12.363 -13.038 53 HD12 ILE 6 1HD1 ILE 6 1.444 11.523 -11.511 54 HD13 ILE 6 2HD1 ILE 6 1.236 13.275 -11.529 55 H VAL 7 H VAL 7 6.910 14.425 -12.021 56 HA VAL 7 HA VAL 7 7.116 16.844 -10.352 57 HB VAL 7 HB VAL 7 8.937 15.332 -9.758 58 HG11 VAL 7 1HG1 VAL 7 10.409 15.500 -12.252 59 HG12 VAL 7 2HG1 VAL 7 10.076 14.102 -11.227 60 HG13 VAL 7 3HG1 VAL 7 8.893 14.617 -12.430 61 HG21 VAL 7 3HG2 VAL 7 9.254 17.985 -10.808 62 HG22 VAL 7 1HG2 VAL 7 10.059 17.223 -9.436 63 HG23 VAL 7 2HG2 VAL 7 10.731 17.054 -11.058 64 H LYS 8 H LYS 8 6.921 18.655 -11.479 65 HA LYS 8 HA LYS 8 7.409 18.567 -14.380 66 HB2 LYS 8 2HB LYS 8 5.857 20.399 -14.601 67 HB3 LYS 8 3HB LYS 8 5.098 19.129 -13.650 68 HG2 LYS 8 2HG LYS 8 6.067 20.547 -11.642 69 HG3 LYS 8 3HG LYS 8 5.980 21.842 -12.839 70 HD2 LYS 8 2HD LYS 8 3.697 20.041 -12.027 71 HD3 LYS 8 3HD LYS 8 3.936 21.704 -11.485 72 HE2 LYS 8 2HE LYS 8 4.073 21.630 -14.333 73 HE3 LYS 8 3HE LYS 8 2.616 20.784 -13.814 74 HZ1 LYS 8 3HZ LYS 8 3.369 23.499 -12.884 75 HZ2 LYS 8 1HZ LYS 8 1.905 22.696 -12.612 76 HZ3 LYS 8 2HZ LYS 8 2.314 23.203 -14.172 77 H TRP 9 H TRP 9 9.119 19.612 -15.139 78 HA TRP 9 HA TRP 9 10.209 21.854 -13.567 79 HB2 TRP 9 2HB TRP 9 11.848 20.245 -13.235 80 HB3 TRP 9 3HB TRP 9 11.601 19.518 -14.821 81 HD1 TRP 9 HD1 TRP 9 13.576 19.927 -16.377 82 HE1 TRP 9 HE1 TRP 9 15.325 21.785 -16.708 83 HE3 TRP 9 HE3 TRP 9 12.009 23.170 -12.749 84 HZ2 TRP 9 HZ2 TRP 9 15.958 24.294 -15.579 85 HZ3 TRP 9 HZ3 TRP 9 13.241 25.277 -12.439 86 HH2 TRP 9 HH2 TRP 9 15.175 25.825 -13.825 87 H GLY 10 H GLY 10 9.557 23.589 -14.711 88 HA2 GLY 10 2HA GLY 10 9.939 25.158 -16.414 89 HA3 GLY 10 3HA GLY 10 10.615 23.878 -17.410 90 H GLY 11 H GLY 11 9.113 22.353 -18.402 91 HA2 GLY 11 2HA GLY 11 6.318 23.159 -18.509 92 HA3 GLY 11 3HA GLY 11 7.227 23.360 -19.999 93 H GLN 12 H GLN 12 8.204 20.753 -18.012 94 HA GLN 12 HA GLN 12 6.612 18.866 -19.610 95 HB2 GLN 12 2HB GLN 12 9.577 18.792 -19.068 96 HB3 GLN 12 3HB GLN 12 8.674 17.377 -19.594 97 HG2 GLN 12 2HG GLN 12 8.523 19.909 -21.166 98 HG3 GLN 12 3HG GLN 12 9.919 18.844 -21.331 99 HE21 GLN 12 1HE2 GLN 12 8.538 19.235 -23.537 100 HE22 GLN 12 2HE2 GLN 12 7.562 17.867 -23.940 101 H GLU 13 H GLU 13 5.841 17.098 -18.551 102 HA GLU 13 HA GLU 13 6.302 17.034 -15.652 103 HB2 GLU 13 2HB GLU 13 4.055 15.876 -17.309 104 HB3 GLU 13 3HB GLU 13 4.198 15.718 -15.564 105 HG2 GLU 13 2HG GLU 13 3.856 18.026 -15.227 106 HG3 GLU 13 3HG GLU 13 4.078 18.383 -16.939 107 H TYR 14 H TYR 14 6.934 15.188 -14.601 108 HA TYR 14 HA TYR 14 7.464 12.801 -16.224 109 HB2 TYR 14 2HB TYR 14 9.451 14.147 -14.383 110 HB3 TYR 14 3HB TYR 14 9.676 12.558 -15.104 111 HD1 TYR 14 HD1 TYR 14 9.313 16.161 -15.884 112 HD2 TYR 14 HD2 TYR 14 10.482 12.328 -17.315 113 HE1 TYR 14 HE1 TYR 14 10.304 17.213 -17.874 114 HE2 TYR 14 HE2 TYR 14 11.478 13.370 -19.308 115 HH TYR 14 HH TYR 14 12.444 15.736 -19.860 116 H SER 15 H SER 15 6.437 11.160 -15.318 117 HA SER 15 HA SER 15 5.643 11.242 -12.542 118 HB2 SER 15 2HB SER 15 4.657 8.942 -13.154 119 HB3 SER 15 3HB SER 15 3.982 10.357 -13.963 120 HG SER 15 HG SER 15 4.377 8.993 -15.597 121 H VAL 16 H VAL 16 6.579 10.223 -10.881 122 HA VAL 16 HA VAL 16 9.030 8.729 -11.394 123 HB VAL 16 HB VAL 16 7.840 9.752 -8.813 124 HG11 VAL 16 1HG1 VAL 16 9.077 8.072 -7.941 125 HG12 VAL 16 2HG1 VAL 16 10.104 7.939 -9.370 126 HG13 VAL 16 3HG1 VAL 16 10.394 9.217 -8.190 127 HG21 VAL 16 3HG2 VAL 16 9.758 10.827 -10.784 128 HG22 VAL 16 1HG2 VAL 16 8.658 11.668 -9.692 129 HG23 VAL 16 2HG2 VAL 16 10.188 11.033 -9.086 130 H THR 17 H THR 17 9.341 6.611 -10.902 131 HA THR 17 HA THR 17 7.294 5.133 -9.454 132 HB THR 17 HB THR 17 7.456 3.351 -11.376 133 HG1 THR 17 HG1 THR 17 8.295 4.076 -13.172 134 HG21 THR 17 3HG2 THR 17 5.563 5.192 -10.598 135 HG22 THR 17 1HG2 THR 17 5.306 3.876 -11.743 136 HG23 THR 17 2HG2 THR 17 5.712 5.488 -12.330 137 H THR 18 H THR 18 8.831 4.682 -7.890 138 HA THR 18 HA THR 18 10.314 2.362 -8.113 139 HB THR 18 HB THR 18 11.885 3.293 -9.586 140 HG1 THR 18 HG1 THR 18 13.631 2.915 -8.408 141 HG21 THR 18 3HG2 THR 18 13.004 5.562 -8.535 142 HG22 THR 18 1HG2 THR 18 11.299 5.768 -8.136 143 HG23 THR 18 2HG2 THR 18 11.790 5.526 -9.813 144 H LEU 19 H LEU 19 9.890 5.476 -6.617 145 HA LEU 19 HA LEU 19 11.178 4.674 -4.148 146 HB2 LEU 19 2HB LEU 19 10.175 7.143 -5.325 147 HB3 LEU 19 3HB LEU 19 9.782 6.987 -3.615 148 HG LEU 19 HG LEU 19 11.870 8.255 -4.072 149 HD11 LEU 19 1HD1 LEU 19 13.280 6.901 -2.457 150 HD12 LEU 19 2HD1 LEU 19 11.975 5.714 -2.472 151 HD13 LEU 19 3HD1 LEU 19 11.667 7.356 -1.908 152 HD21 LEU 19 3HD2 LEU 19 13.856 7.068 -4.788 153 HD22 LEU 19 1HD2 LEU 19 12.603 6.946 -6.023 154 HD23 LEU 19 2HD2 LEU 19 12.931 5.575 -4.963 155 H SER 20 H SER 20 10.114 4.484 -2.135 156 HA SER 20 HA SER 20 7.207 4.059 -2.278 157 HB2 SER 20 2HB SER 20 8.104 2.228 -0.384 158 HB3 SER 20 3HB SER 20 7.561 1.854 -2.019 159 HG SER 20 HG SER 20 9.953 1.481 -1.019 160 H GLU 21 H GLU 21 6.242 3.893 -0.025 161 HA GLU 21 HA GLU 21 6.782 6.249 1.393 162 HB2 GLU 21 2HB GLU 21 5.383 3.839 2.544 163 HB3 GLU 21 3HB GLU 21 5.138 5.529 2.960 164 HG2 GLU 21 2HG GLU 21 4.322 5.866 0.598 165 HG3 GLU 21 3HG GLU 21 4.326 4.110 0.442 166 H ASP 22 H ASP 22 8.201 3.123 1.575 167 HA ASP 22 HA ASP 22 9.155 3.249 4.249 168 HB2 ASP 22 2HB ASP 22 9.014 1.267 2.432 169 HB3 ASP 22 3HB ASP 22 10.708 1.712 2.242 170 H ASP 23 H ASP 23 9.998 4.958 1.486 171 HA ASP 23 HA ASP 23 12.755 5.408 2.375 172 HB2 ASP 23 2HB ASP 23 11.490 6.514 -0.128 173 HB3 ASP 23 3HB ASP 23 13.203 6.307 0.226 174 H THR 24 H THR 24 12.809 8.020 1.010 175 HA THR 24 HA THR 24 11.188 9.631 2.861 176 HB THR 24 HB THR 24 13.476 11.135 2.575 177 HG1 THR 24 HG1 THR 24 14.130 8.379 2.683 178 HG21 THR 24 3HG2 THR 24 11.959 10.322 4.610 179 HG22 THR 24 1HG2 THR 24 13.557 11.025 4.853 180 HG23 THR 24 2HG2 THR 24 13.349 9.274 4.885 181 H VAL 25 H VAL 25 11.227 12.001 2.205 182 HA VAL 25 HA VAL 25 10.303 12.232 -0.455 183 HB VAL 25 HB VAL 25 11.160 14.535 1.292 184 HG11 VAL 25 1HG1 VAL 25 8.854 15.220 -0.025 185 HG12 VAL 25 2HG1 VAL 25 10.489 15.657 -0.523 186 HG13 VAL 25 3HG1 VAL 25 9.704 14.239 -1.218 187 HG21 VAL 25 3HG2 VAL 25 8.945 12.628 1.622 188 HG22 VAL 25 1HG2 VAL 25 9.730 13.675 2.804 189 HG23 VAL 25 2HG2 VAL 25 8.496 14.330 1.727 190 H LEU 26 H LEU 26 13.342 13.142 1.109 191 HA LEU 26 HA LEU 26 14.480 14.511 -1.066 192 HB2 LEU 26 2HB LEU 26 16.308 14.699 0.233 193 HB3 LEU 26 3HB LEU 26 15.205 14.127 1.483 194 HG LEU 26 HG LEU 26 16.128 11.768 0.702 195 HD11 LEU 26 1HD1 LEU 26 17.559 13.172 -1.018 196 HD12 LEU 26 2HD1 LEU 26 18.199 11.721 -0.247 197 HD13 LEU 26 3HD1 LEU 26 18.642 13.313 0.367 198 HD21 LEU 26 3HD2 LEU 26 16.255 12.887 2.955 199 HD22 LEU 26 1HD2 LEU 26 17.806 13.556 2.447 200 HD23 LEU 26 2HD2 LEU 26 17.596 11.809 2.563 201 H ASP 27 H ASP 27 14.168 11.123 -0.349 202 HA ASP 27 HA ASP 27 16.152 10.192 -2.166 203 HB2 ASP 27 2HB ASP 27 14.951 8.965 -0.184 204 HB3 ASP 27 3HB ASP 27 13.763 8.547 -1.415 205 H LEU 28 H LEU 28 12.732 10.935 -2.427 206 HA LEU 28 HA LEU 28 12.494 9.838 -5.082 207 HB2 LEU 28 2HB LEU 28 10.665 10.085 -3.276 208 HB3 LEU 28 3HB LEU 28 10.557 11.754 -3.834 209 HG LEU 28 HG LEU 28 10.386 9.773 -5.983 210 HD11 LEU 28 1HD1 LEU 28 7.913 9.951 -4.363 211 HD12 LEU 28 2HD1 LEU 28 9.174 8.854 -3.802 212 HD13 LEU 28 3HD1 LEU 28 8.492 8.660 -5.416 213 HD21 LEU 28 3HD2 LEU 28 9.045 11.335 -6.923 214 HD22 LEU 28 1HD2 LEU 28 9.837 12.383 -5.746 215 HD23 LEU 28 2HD2 LEU 28 8.240 11.720 -5.401 216 H LYS 29 H LYS 29 12.558 13.096 -3.662 217 HA LYS 29 HA LYS 29 12.341 14.521 -6.070 218 HB2 LYS 29 2HB LYS 29 13.155 15.124 -3.294 219 HB3 LYS 29 3HB LYS 29 13.781 16.218 -4.520 220 HG2 LYS 29 2HG LYS 29 11.846 17.294 -4.081 221 HG3 LYS 29 3HG LYS 29 11.232 16.164 -5.291 222 HD2 LYS 29 2HD LYS 29 11.263 15.240 -2.476 223 HD3 LYS 29 3HD LYS 29 10.088 16.488 -2.897 224 HE2 LYS 29 2HE LYS 29 10.109 14.454 -4.916 225 HE3 LYS 29 3HE LYS 29 9.902 13.712 -3.330 226 HZ1 LYS 29 3HZ LYS 29 7.862 14.597 -4.680 227 HZ2 LYS 29 1HZ LYS 29 8.298 16.075 -3.981 228 HZ3 LYS 29 2HZ LYS 29 7.918 14.754 -2.996 229 H GLN 30 H GLN 30 15.260 13.822 -4.139 230 HA GLN 30 HA GLN 30 17.113 14.851 -5.952 231 HB2 GLN 30 2HB GLN 30 18.744 13.936 -4.605 232 HB3 GLN 30 3HB GLN 30 17.382 13.979 -3.493 233 HG2 GLN 30 2HG GLN 30 18.032 11.857 -3.111 234 HG3 GLN 30 3HG GLN 30 17.003 11.546 -4.509 235 HE21 GLN 30 1HE2 GLN 30 20.344 12.542 -3.827 236 HE22 GLN 30 2HE2 GLN 30 21.072 11.504 -5.000 237 H PHE 31 H PHE 31 15.289 11.936 -6.037 238 HA PHE 31 HA PHE 31 17.029 10.518 -7.827 239 HB2 PHE 31 2HB PHE 31 15.615 9.191 -6.435 240 HB3 PHE 31 3HB PHE 31 14.178 10.071 -6.943 241 HD1 PHE 31 HD2 PHE 31 16.677 7.571 -7.927 242 HD2 PHE 31 HD1 PHE 31 13.063 9.552 -8.993 243 HE1 PHE 31 HE2 PHE 31 16.286 5.902 -9.693 244 HE2 PHE 31 HE1 PHE 31 12.666 7.886 -10.759 245 HZ PHE 31 HZ PHE 31 14.279 6.059 -11.112 246 H LEU 32 H LEU 32 13.827 12.042 -8.212 247 HA LEU 32 HA LEU 32 13.776 11.762 -11.030 248 HB2 LEU 32 2HB LEU 32 11.936 13.464 -10.890 249 HB3 LEU 32 3HB LEU 32 11.709 12.010 -9.921 250 HG LEU 32 HG LEU 32 12.807 13.624 -8.071 251 HD11 LEU 32 1HD1 LEU 32 11.188 15.752 -8.677 252 HD12 LEU 32 2HD1 LEU 32 11.915 15.360 -10.235 253 HD13 LEU 32 3HD1 LEU 32 12.943 15.712 -8.846 254 HD21 LEU 32 3HD2 LEU 32 10.454 14.109 -7.368 255 HD22 LEU 32 1HD2 LEU 32 10.789 12.411 -7.705 256 HD23 LEU 32 2HD2 LEU 32 9.917 13.389 -8.886 257 H LYS 33 H LYS 33 14.657 14.442 -8.887 258 HA LYS 33 HA LYS 33 15.045 16.431 -10.781 259 HB2 LYS 33 2HB LYS 33 15.432 17.487 -8.849 260 HB3 LYS 33 3HB LYS 33 15.767 15.971 -8.023 261 HG2 LYS 33 2HG LYS 33 17.842 17.231 -9.767 262 HG3 LYS 33 3HG LYS 33 17.590 17.796 -8.114 263 HD2 LYS 33 2HD LYS 33 18.454 15.914 -7.198 264 HD3 LYS 33 3HD LYS 33 17.810 14.873 -8.469 265 HE2 LYS 33 2HE LYS 33 19.929 14.742 -9.178 266 HE3 LYS 33 3HE LYS 33 19.661 16.360 -9.824 267 HZ1 LYS 33 3HZ LYS 33 20.383 17.082 -7.457 268 HZ2 LYS 33 1HZ LYS 33 21.559 16.644 -8.592 269 HZ3 LYS 33 2HZ LYS 33 21.095 15.549 -7.390 270 H THR 34 H THR 34 16.983 13.649 -10.049 271 HA THR 34 HA THR 34 19.343 14.607 -11.392 272 HB THR 34 HB THR 34 18.924 12.630 -9.555 273 HG1 THR 34 HG1 THR 34 20.994 13.049 -9.608 274 HG21 THR 34 3HG2 THR 34 19.253 10.496 -10.511 275 HG22 THR 34 1HG2 THR 34 19.615 11.175 -12.098 276 HG23 THR 34 2HG2 THR 34 17.970 11.240 -11.466 277 H LEU 35 H LEU 35 16.446 12.950 -12.279 278 HA LEU 35 HA LEU 35 17.467 11.788 -14.694 279 HB2 LEU 35 2HB LEU 35 14.575 12.358 -14.147 280 HB3 LEU 35 3HB LEU 35 15.280 11.061 -15.109 281 HG LEU 35 HG LEU 35 15.374 11.273 -12.100 282 HD11 LEU 35 1HD1 LEU 35 13.992 9.043 -13.433 283 HD12 LEU 35 2HD1 LEU 35 13.208 10.617 -13.563 284 HD13 LEU 35 3HD1 LEU 35 13.566 9.940 -11.975 285 HD21 LEU 35 3HD2 LEU 35 16.910 9.669 -12.103 286 HD22 LEU 35 1HD2 LEU 35 17.075 9.904 -13.843 287 HD23 LEU 35 2HD2 LEU 35 15.960 8.687 -13.220 288 H THR 36 H THR 36 15.118 14.412 -14.108 289 HA THR 36 HA THR 36 16.166 15.778 -16.489 290 HB THR 36 HB THR 36 14.174 14.725 -17.300 291 HG1 THR 36 HG1 THR 36 13.367 17.370 -16.650 292 HG21 THR 36 3HG2 THR 36 12.434 14.233 -15.998 293 HG22 THR 36 1HG2 THR 36 12.159 15.940 -15.654 294 HG23 THR 36 2HG2 THR 36 13.268 15.006 -14.650 295 H GLY 37 H GLY 37 14.648 15.914 -13.358 296 HA2 GLY 37 2HA GLY 37 14.086 18.675 -13.255 297 HA3 GLY 37 3HA GLY 37 14.344 17.631 -11.865 298 H VAL 38 H VAL 38 15.241 19.934 -11.306 299 HA VAL 38 HA VAL 38 18.099 20.008 -12.021 300 HB VAL 38 HB VAL 38 17.242 22.063 -12.711 301 HG11 VAL 38 1HG1 VAL 38 15.123 22.431 -12.064 302 HG12 VAL 38 2HG1 VAL 38 15.365 21.673 -10.489 303 HG13 VAL 38 3HG1 VAL 38 15.863 23.345 -10.751 304 HG21 VAL 38 3HG2 VAL 38 19.213 22.302 -11.256 305 HG22 VAL 38 1HG2 VAL 38 18.164 23.718 -11.194 306 HG23 VAL 38 2HG2 VAL 38 18.147 22.550 -9.873 307 H LEU 39 H LEU 39 19.627 20.014 -10.439 308 HA LEU 39 HA LEU 39 19.105 18.846 -7.980 309 HB2 LEU 39 2HB LEU 39 21.384 19.977 -7.370 310 HB3 LEU 39 3HB LEU 39 21.306 18.681 -8.561 311 HG LEU 39 HG LEU 39 22.776 20.708 -9.084 312 HD11 LEU 39 1HD1 LEU 39 21.216 19.006 -10.697 313 HD12 LEU 39 2HD1 LEU 39 22.706 19.847 -11.123 314 HD13 LEU 39 3HD1 LEU 39 21.145 20.611 -11.425 315 HD21 LEU 39 3HD2 LEU 39 20.052 21.895 -9.599 316 HD22 LEU 39 1HD2 LEU 39 21.577 22.580 -10.163 317 HD23 LEU 39 2HD2 LEU 39 21.250 22.460 -8.434 318 HA PRO 40 HA PRO 40 17.549 22.021 -5.373 319 HB2 PRO 40 2HB PRO 40 18.503 21.195 -2.969 320 HB3 PRO 40 3HB PRO 40 17.182 20.376 -3.811 321 HG2 PRO 40 2HG PRO 40 20.086 19.659 -3.692 322 HG3 PRO 40 3HG PRO 40 18.667 18.604 -3.564 323 HD2 PRO 40 2HD PRO 40 20.100 18.848 -5.849 324 HD3 PRO 40 3HD PRO 40 18.351 18.542 -5.847 325 H GLU 41 H GLU 41 20.963 21.366 -5.508 326 HA GLU 41 HA GLU 41 21.992 23.304 -3.815 327 HB2 GLU 41 2HB GLU 41 23.438 21.676 -4.844 328 HB3 GLU 41 3HB GLU 41 23.053 22.279 -6.450 329 HG2 GLU 41 2HG GLU 41 24.268 24.265 -6.109 330 HG3 GLU 41 3HG GLU 41 24.390 23.982 -4.374 331 H ARG 42 H ARG 42 20.817 23.612 -7.126 332 HA ARG 42 HA ARG 42 21.308 26.506 -7.018 333 HB2 ARG 42 2HB ARG 42 21.037 24.529 -9.235 334 HB3 ARG 42 3HB ARG 42 20.544 26.189 -9.539 335 HG2 ARG 42 2HG ARG 42 22.647 26.871 -9.732 336 HG3 ARG 42 3HG ARG 42 23.124 26.062 -8.237 337 HD2 ARG 42 2HD ARG 42 23.709 24.114 -9.322 338 HD3 ARG 42 3HD ARG 42 22.647 24.436 -10.692 339 HE ARG 42 HE ARG 42 24.355 25.578 -11.700 340 HH11 ARG 42 1HH1 ARG 42 25.096 25.166 -8.324 341 HH12 ARG 42 2HH1 ARG 42 26.712 25.772 -8.470 342 HH21 ARG 42 1HH2 ARG 42 26.481 26.378 -11.906 343 HH22 ARG 42 2HH2 ARG 42 27.499 26.463 -10.508 344 H GLN 43 H GLN 43 18.792 24.097 -7.601 345 HA GLN 43 HA GLN 43 16.765 26.208 -7.669 346 HB2 GLN 43 2HB GLN 43 15.367 24.738 -8.757 347 HB3 GLN 43 3HB GLN 43 16.935 24.161 -9.306 348 HG2 GLN 43 2HG GLN 43 15.937 22.193 -8.736 349 HG3 GLN 43 3HG GLN 43 16.748 22.591 -7.222 350 HE21 GLN 43 1HE2 GLN 43 15.127 21.096 -6.357 351 HE22 GLN 43 2HE2 GLN 43 13.572 21.718 -5.934 352 H LYS 44 H LYS 44 14.807 25.959 -6.388 353 HA LYS 44 HA LYS 44 15.230 24.457 -3.892 354 HB2 LYS 44 2HB LYS 44 14.234 26.324 -2.639 355 HB3 LYS 44 3HB LYS 44 15.711 26.808 -3.462 356 HG2 LYS 44 2HG LYS 44 14.377 28.587 -3.949 357 HG3 LYS 44 3HG LYS 44 14.032 27.557 -5.341 358 HD2 LYS 44 2HD LYS 44 11.891 27.304 -4.745 359 HD3 LYS 44 3HD LYS 44 12.315 26.980 -3.062 360 HE2 LYS 44 2HE LYS 44 12.554 29.769 -4.066 361 HE3 LYS 44 3HE LYS 44 10.939 29.128 -3.770 362 HZ1 LYS 44 3HZ LYS 44 13.158 29.321 -1.808 363 HZ2 LYS 44 1HZ LYS 44 11.684 28.549 -1.504 364 HZ3 LYS 44 2HZ LYS 44 11.721 30.213 -1.805 365 H LEU 45 H LEU 45 13.453 23.475 -3.014 366 HA LEU 45 HA LEU 45 11.281 22.900 -4.734 367 HB2 LEU 45 2HB LEU 45 11.816 22.347 -1.832 368 HB3 LEU 45 3HB LEU 45 10.310 21.862 -2.608 369 HG LEU 45 HG LEU 45 11.764 19.968 -2.531 370 HD11 LEU 45 1HD1 LEU 45 10.427 20.322 -4.586 371 HD12 LEU 45 2HD1 LEU 45 11.893 19.381 -4.858 372 HD13 LEU 45 3HD1 LEU 45 11.835 21.078 -5.332 373 HD21 LEU 45 3HD2 LEU 45 13.985 19.937 -3.424 374 HD22 LEU 45 1HD2 LEU 45 13.868 21.279 -2.286 375 HD23 LEU 45 2HD2 LEU 45 13.822 21.589 -4.021 376 H LEU 46 H LEU 46 9.274 23.735 -4.884 377 HA LEU 46 HA LEU 46 8.762 26.283 -3.677 378 HB2 LEU 46 2HB LEU 46 7.248 24.490 -5.539 379 HB3 LEU 46 3HB LEU 46 6.481 25.911 -4.832 380 HG LEU 46 HG LEU 46 7.253 26.436 -7.048 381 HD11 LEU 46 1HD1 LEU 46 9.380 27.834 -5.616 382 HD12 LEU 46 2HD1 LEU 46 7.813 27.901 -4.811 383 HD13 LEU 46 3HD1 LEU 46 7.976 28.471 -6.472 384 HD21 LEU 46 3HD2 LEU 46 9.254 24.646 -6.594 385 HD22 LEU 46 1HD2 LEU 46 10.115 26.181 -6.476 386 HD23 LEU 46 2HD2 LEU 46 9.208 25.789 -7.937 387 H GLY 47 H GLY 47 6.533 23.513 -3.802 388 HA2 GLY 47 2HA GLY 47 5.588 24.243 -1.127 389 HA3 GLY 47 3HA GLY 47 4.759 23.191 -2.265 390 H LEU 48 H LEU 48 7.912 23.268 -0.592 391 HA LEU 48 HA LEU 48 8.333 20.521 -0.553 392 HB2 LEU 48 2HB LEU 48 9.855 20.964 1.345 393 HB3 LEU 48 3HB LEU 48 10.107 22.037 -0.031 394 HG LEU 48 HG LEU 48 8.502 23.605 1.404 395 HD11 LEU 48 1HD1 LEU 48 9.050 23.415 3.783 396 HD12 LEU 48 2HD1 LEU 48 9.915 21.913 3.461 397 HD13 LEU 48 3HD1 LEU 48 8.173 22.001 3.199 398 HD21 LEU 48 3HD2 LEU 48 10.383 24.847 1.935 399 HD22 LEU 48 1HD2 LEU 48 10.946 23.858 0.588 400 HD23 LEU 48 2HD2 LEU 48 11.368 23.416 2.243 401 H LYS 49 H LYS 49 6.210 22.467 1.345 402 HA LYS 49 HA LYS 49 5.720 20.241 3.199 403 HB2 LYS 49 2HB LYS 49 4.197 22.294 4.146 404 HB3 LYS 49 3HB LYS 49 5.838 21.944 4.670 405 HG2 LYS 49 2HG LYS 49 6.722 23.567 3.113 406 HG3 LYS 49 3HG LYS 49 5.104 23.871 2.475 407 HD2 LYS 49 2HD LYS 49 4.399 24.682 4.683 408 HD3 LYS 49 3HD LYS 49 6.027 24.396 5.301 409 HE2 LYS 49 2HE LYS 49 6.872 26.233 4.293 410 HE3 LYS 49 3HE LYS 49 5.854 26.047 2.866 411 HZ1 LYS 49 3HZ LYS 49 4.790 27.810 3.713 412 HZ2 LYS 49 1HZ LYS 49 5.391 27.574 5.276 413 HZ3 LYS 49 2HZ LYS 49 4.052 26.689 4.742 414 H VAL 50 H VAL 50 3.697 19.340 3.433 415 HA VAL 50 HA VAL 50 1.514 20.338 1.767 416 HB VAL 50 HB VAL 50 2.724 18.665 0.391 417 HG11 VAL 50 1HG1 VAL 50 3.118 17.304 2.689 418 HG12 VAL 50 2HG1 VAL 50 1.755 16.409 2.014 419 HG13 VAL 50 3HG1 VAL 50 3.243 16.585 1.084 420 HG21 VAL 50 3HG2 VAL 50 -0.023 18.853 0.911 421 HG22 VAL 50 1HG2 VAL 50 0.755 18.212 -0.536 422 HG23 VAL 50 2HG2 VAL 50 0.327 17.129 0.789 423 H LYS 51 H LYS 51 -0.519 19.852 2.531 424 HA LYS 51 HA LYS 51 -2.095 19.434 4.120 425 HB2 LYS 51 2HB LYS 51 -0.420 16.954 4.558 426 HB3 LYS 51 3HB LYS 51 -2.079 17.177 5.097 427 HG2 LYS 51 2HG LYS 51 -1.242 17.279 2.210 428 HG3 LYS 51 3HG LYS 51 -1.804 15.815 3.020 429 HD2 LYS 51 2HD LYS 51 -3.405 18.364 2.930 430 HD3 LYS 51 3HD LYS 51 -3.549 17.092 1.714 431 HE2 LYS 51 2HE LYS 51 -5.068 16.153 3.045 432 HE3 LYS 51 3HE LYS 51 -3.738 15.744 4.127 433 HZ1 LYS 51 3HZ LYS 51 -4.892 16.935 5.606 434 HZ2 LYS 51 1HZ LYS 51 -5.812 17.727 4.427 435 HZ3 LYS 51 2HZ LYS 51 -4.264 18.289 4.811 436 H GLY 52 H GLY 52 0.161 21.041 4.920 437 HA2 GLY 52 2HA GLY 52 0.606 22.143 6.925 438 HA3 GLY 52 3HA GLY 52 -0.214 20.850 7.788 439 H LYS 53 H LYS 53 1.616 19.014 6.047 440 HA LYS 53 HA LYS 53 3.653 18.764 8.076 441 HB2 LYS 53 2HB LYS 53 3.034 17.191 5.577 442 HB3 LYS 53 3HB LYS 53 4.398 16.822 6.625 443 HG2 LYS 53 2HG LYS 53 1.503 16.821 7.458 444 HG3 LYS 53 3HG LYS 53 2.470 15.392 7.084 445 HD2 LYS 53 2HD LYS 53 3.980 16.804 8.950 446 HD3 LYS 53 3HD LYS 53 2.317 16.933 9.529 447 HE2 LYS 53 2HE LYS 53 3.209 14.268 8.602 448 HE3 LYS 53 3HE LYS 53 3.915 14.862 10.104 449 HZ1 LYS 53 3HZ LYS 53 2.010 14.556 11.193 450 HZ2 LYS 53 1HZ LYS 53 1.532 13.600 9.882 451 HZ3 LYS 53 2HZ LYS 53 1.068 15.224 9.957 452 HA PRO 54 HA PRO 54 6.869 21.003 6.088 453 HB2 PRO 54 2HB PRO 54 9.038 19.658 7.013 454 HB3 PRO 54 3HB PRO 54 8.071 20.735 8.027 455 HG2 PRO 54 2HG PRO 54 7.990 17.750 7.820 456 HG3 PRO 54 3HG PRO 54 7.927 18.773 9.267 457 HD2 PRO 54 2HD PRO 54 5.714 17.666 8.167 458 HD3 PRO 54 3HD PRO 54 5.685 19.236 8.994 459 H ALA 55 H ALA 55 6.966 17.473 5.837 460 HA ALA 55 HA ALA 55 7.934 16.092 4.268 461 HB1 ALA 55 1HB ALA 55 7.134 16.895 1.892 462 HB2 ALA 55 2HB ALA 55 5.983 16.299 3.089 463 HB3 ALA 55 3HB ALA 55 6.183 18.034 2.845 464 H GLU 56 H GLU 56 9.805 18.000 5.156 465 HA GLU 56 HA GLU 56 11.105 19.337 3.028 466 HB2 GLU 56 2HB GLU 56 11.485 19.998 5.330 467 HB3 GLU 56 3HB GLU 56 12.150 18.415 5.710 468 HG2 GLU 56 2HG GLU 56 14.166 19.146 5.191 469 HG3 GLU 56 3HG GLU 56 13.631 19.442 3.538 470 H ASN 57 H ASN 57 12.539 16.676 4.897 471 HA ASN 57 HA ASN 57 13.092 15.157 2.500 472 HB2 ASN 57 2HB ASN 57 15.620 15.134 3.323 473 HB3 ASN 57 3HB ASN 57 15.028 16.351 2.197 474 HD21 ASN 57 1HD2 ASN 57 16.202 18.085 2.691 475 HD22 ASN 57 2HD2 ASN 57 16.297 18.809 4.256 476 H ASP 58 H ASP 58 13.585 15.584 5.968 477 HA ASP 58 HA ASP 58 14.274 12.863 6.473 478 HB2 ASP 58 2HB ASP 58 14.908 14.732 7.978 479 HB3 ASP 58 3HB ASP 58 13.210 14.940 8.398 480 H VAL 59 H VAL 59 11.429 14.217 5.505 481 HA VAL 59 HA VAL 59 9.677 12.532 7.106 482 HB VAL 59 HB VAL 59 8.652 14.072 4.772 483 HG11 VAL 59 1HG1 VAL 59 7.685 13.448 7.553 484 HG12 VAL 59 2HG1 VAL 59 6.848 14.561 6.468 485 HG13 VAL 59 3HG1 VAL 59 7.039 12.865 6.019 486 HG21 VAL 59 3HG2 VAL 59 9.994 15.795 5.532 487 HG22 VAL 59 1HG2 VAL 59 8.511 16.056 6.452 488 HG23 VAL 59 2HG2 VAL 59 9.895 15.271 7.213 489 H LYS 60 H LYS 60 8.382 10.886 6.276 490 HA LYS 60 HA LYS 60 9.492 9.558 3.936 491 HB2 LYS 60 2HB LYS 60 7.587 8.699 6.106 492 HB3 LYS 60 3HB LYS 60 7.869 7.716 4.675 493 HG2 LYS 60 2HG LYS 60 10.407 8.144 5.435 494 HG3 LYS 60 3HG LYS 60 9.602 8.219 7.004 495 HD2 LYS 60 2HD LYS 60 8.430 6.035 6.193 496 HD3 LYS 60 3HD LYS 60 9.789 5.945 5.070 497 HE2 LYS 60 2HE LYS 60 10.701 4.795 6.805 498 HE3 LYS 60 3HE LYS 60 11.152 6.425 7.303 499 HZ1 LYS 60 3HZ LYS 60 10.215 5.596 9.207 500 HZ2 LYS 60 1HZ LYS 60 9.065 4.664 8.387 501 HZ3 LYS 60 2HZ LYS 60 8.868 6.339 8.505 502 H LEU 61 H LEU 61 8.287 8.932 2.135 503 HA LEU 61 HA LEU 61 6.477 10.736 1.097 504 HB2 LEU 61 2HB LEU 61 6.444 7.827 0.358 505 HB3 LEU 61 3HB LEU 61 6.118 9.223 -0.668 506 HG LEU 61 HG LEU 61 8.813 8.402 0.416 507 HD11 LEU 61 1HD1 LEU 61 7.863 6.968 -1.389 508 HD12 LEU 61 2HD1 LEU 61 9.356 7.797 -1.830 509 HD13 LEU 61 3HD1 LEU 61 7.806 8.395 -2.423 510 HD21 LEU 61 3HD2 LEU 61 7.822 10.890 -0.737 511 HD22 LEU 61 1HD2 LEU 61 9.211 10.225 -1.597 512 HD23 LEU 61 2HD2 LEU 61 9.321 10.559 0.132 513 H GLY 62 H GLY 62 5.861 7.801 2.954 514 HA2 GLY 62 2HA GLY 62 3.015 7.905 2.611 515 HA3 GLY 62 3HA GLY 62 3.893 6.885 3.741 516 H ALA 63 H ALA 63 5.233 9.502 4.678 517 HA ALA 63 HA ALA 63 3.302 10.012 6.774 518 HB1 ALA 63 1HB ALA 63 5.670 9.730 7.325 519 HB2 ALA 63 2HB ALA 63 6.062 11.158 6.366 520 HB3 ALA 63 3HB ALA 63 5.073 11.315 7.818 521 H LEU 64 H LEU 64 4.112 11.366 3.773 522 HA LEU 64 HA LEU 64 3.288 14.064 4.456 523 HB2 LEU 64 2HB LEU 64 3.581 13.267 1.628 524 HB3 LEU 64 3HB LEU 64 4.151 14.710 2.464 525 HG LEU 64 HG LEU 64 5.451 11.996 2.670 526 HD11 LEU 64 1HD1 LEU 64 5.488 13.141 0.385 527 HD12 LEU 64 2HD1 LEU 64 7.033 12.664 1.088 528 HD13 LEU 64 3HD1 LEU 64 6.519 14.350 1.150 529 HD21 LEU 64 3HD2 LEU 64 5.638 13.957 4.461 530 HD22 LEU 64 1HD2 LEU 64 6.842 14.532 3.308 531 HD23 LEU 64 2HD2 LEU 64 7.008 12.932 4.032 532 H LYS 65 H LYS 65 1.856 11.164 3.377 533 HA LYS 65 HA LYS 65 -0.206 10.617 2.567 534 HB2 LYS 65 2HB LYS 65 -0.974 13.088 4.132 535 HB3 LYS 65 3HB LYS 65 -2.080 11.827 3.605 536 HG2 LYS 65 2HG LYS 65 -1.728 11.180 5.759 537 HG3 LYS 65 3HG LYS 65 -0.440 10.278 4.955 538 HD2 LYS 65 2HD LYS 65 1.092 11.330 6.175 539 HD3 LYS 65 3HD LYS 65 0.512 12.894 5.599 540 HE2 LYS 65 2HE LYS 65 -1.205 11.665 7.622 541 HE3 LYS 65 3HE LYS 65 0.426 12.016 8.193 542 HZ1 LYS 65 3HZ LYS 65 -0.861 14.130 6.677 543 HZ2 LYS 65 1HZ LYS 65 0.086 14.221 8.076 544 HZ3 LYS 65 2HZ LYS 65 -1.547 13.798 8.187 545 H LEU 66 H LEU 66 1.248 11.931 0.662 546 HA LEU 66 HA LEU 66 -0.549 13.918 -0.522 547 HB2 LEU 66 2HB LEU 66 2.303 13.418 -0.590 548 HB3 LEU 66 3HB LEU 66 1.633 13.586 -2.212 549 HG LEU 66 HG LEU 66 1.388 15.619 0.006 550 HD11 LEU 66 1HD1 LEU 66 3.622 15.694 -0.665 551 HD12 LEU 66 2HD1 LEU 66 2.840 16.942 -1.634 552 HD13 LEU 66 3HD1 LEU 66 3.223 15.378 -2.354 553 HD21 LEU 66 3HD2 LEU 66 0.868 16.757 -2.496 554 HD22 LEU 66 1HD2 LEU 66 -0.283 16.454 -1.194 555 HD23 LEU 66 2HD2 LEU 66 -0.046 15.249 -2.460 556 H LYS 67 H LYS 67 -1.238 13.731 -2.711 557 HA LYS 67 HA LYS 67 -2.113 11.126 -3.412 558 HB2 LYS 67 2HB LYS 67 -2.338 13.851 -4.568 559 HB3 LYS 67 3HB LYS 67 -2.569 12.504 -5.675 560 HG2 LYS 67 2HG LYS 67 -4.555 11.945 -4.789 561 HG3 LYS 67 3HG LYS 67 -4.036 12.296 -3.138 562 HD2 LYS 67 2HD LYS 67 -4.376 14.590 -4.993 563 HD3 LYS 67 3HD LYS 67 -5.835 13.787 -4.410 564 HE2 LYS 67 2HE LYS 67 -5.669 14.893 -2.494 565 HE3 LYS 67 3HE LYS 67 -4.106 14.134 -2.195 566 HZ1 LYS 67 3HZ LYS 67 -3.661 16.398 -2.142 567 HZ2 LYS 67 1HZ LYS 67 -4.672 16.744 -3.454 568 HZ3 LYS 67 2HZ LYS 67 -3.197 15.957 -3.708 569 HA PRO 68 HA PRO 68 1.087 9.576 -5.983 570 HB2 PRO 68 2HB PRO 68 -0.305 8.375 -7.981 571 HB3 PRO 68 3HB PRO 68 -0.228 7.725 -6.339 572 HG2 PRO 68 2HG PRO 68 -2.386 9.345 -7.636 573 HG3 PRO 68 3HG PRO 68 -2.531 7.920 -6.590 574 HD2 PRO 68 2HD PRO 68 -2.908 10.441 -5.678 575 HD3 PRO 68 3HD PRO 68 -2.237 9.149 -4.663 576 H ASN 69 H ASN 69 -1.449 11.367 -7.693 577 HA ASN 69 HA ASN 69 0.213 11.894 -9.978 578 HB2 ASN 69 2HB ASN 69 -2.546 12.639 -9.118 579 HB3 ASN 69 3HB ASN 69 -1.766 13.628 -10.349 580 HD21 ASN 69 1HD2 ASN 69 -1.738 10.146 -9.681 581 HD22 ASN 69 2HD2 ASN 69 -2.276 9.667 -11.252 582 H THR 70 H THR 70 -0.152 13.256 -6.892 583 HA THR 70 HA THR 70 0.072 15.898 -6.949 584 HB THR 70 HB THR 70 1.975 14.069 -5.476 585 HG1 THR 70 HG1 THR 70 -0.522 15.270 -4.845 586 HG21 THR 70 3HG2 THR 70 2.114 16.097 -3.911 587 HG22 THR 70 1HG2 THR 70 1.517 17.033 -5.281 588 HG23 THR 70 2HG2 THR 70 3.043 16.158 -5.408 589 H LYS 71 H LYS 71 1.152 17.386 -8.052 590 HA LYS 71 HA LYS 71 3.521 16.599 -9.566 591 HB2 LYS 71 2HB LYS 71 2.163 19.282 -9.691 592 HB3 LYS 71 3HB LYS 71 3.154 18.500 -10.916 593 HG2 LYS 71 2HG LYS 71 1.254 17.881 -11.879 594 HG3 LYS 71 3HG LYS 71 1.062 16.736 -10.550 595 HD2 LYS 71 2HD LYS 71 -0.066 18.612 -9.276 596 HD3 LYS 71 3HD LYS 71 -0.092 19.506 -10.798 597 HE2 LYS 71 2HE LYS 71 -1.845 18.348 -11.537 598 HE3 LYS 71 3HE LYS 71 -1.080 16.811 -11.138 599 HZ1 LYS 71 3HZ LYS 71 -1.909 18.088 -8.769 600 HZ2 LYS 71 1HZ LYS 71 -2.419 16.606 -9.406 601 HZ3 LYS 71 2HZ LYS 71 -3.214 18.033 -9.845 602 H ILE 72 H ILE 72 5.501 17.651 -9.422 603 HA ILE 72 HA ILE 72 5.864 19.287 -6.997 604 HB ILE 72 HB ILE 72 7.866 17.453 -8.323 605 HG12 ILE 72 2HG1 ILE 72 6.148 16.201 -7.136 606 HG13 ILE 72 3HG1 ILE 72 7.659 16.134 -6.236 607 HG21 ILE 72 1HG2 ILE 72 8.080 19.197 -5.876 608 HG22 ILE 72 2HG2 ILE 72 9.246 17.951 -6.315 609 HG23 ILE 72 3HG2 ILE 72 9.001 19.340 -7.373 610 HD11 ILE 72 3HD1 ILE 72 5.312 17.916 -5.625 611 HD12 ILE 72 1HD1 ILE 72 5.769 16.452 -4.754 612 HD13 ILE 72 2HD1 ILE 72 6.828 17.863 -4.725 613 H MET 73 H MET 73 6.739 21.257 -7.201 614 HA MET 73 HA MET 73 7.632 22.075 -9.877 615 HB2 MET 73 2HB MET 73 6.731 23.775 -7.544 616 HB3 MET 73 3HB MET 73 7.174 24.372 -9.138 617 HG2 MET 73 2HG MET 73 5.254 23.585 -10.120 618 HG3 MET 73 3HG MET 73 5.007 22.346 -8.892 619 HE1 MET 73 3HE MET 73 3.175 23.248 -6.402 620 HE2 MET 73 1HE MET 73 4.911 22.955 -6.514 621 HE3 MET 73 2HE MET 73 4.315 24.464 -5.823 622 H MET 74 H MET 74 9.596 23.058 -10.204 623 HA MET 74 HA MET 74 11.366 23.360 -7.880 624 HB2 MET 74 2HB MET 74 12.090 21.973 -10.467 625 HB3 MET 74 3HB MET 74 13.219 22.352 -9.173 626 HG2 MET 74 2HG MET 74 11.978 20.894 -7.660 627 HG3 MET 74 3HG MET 74 10.845 20.516 -8.956 628 HE1 MET 74 3HE MET 74 12.412 18.122 -11.184 629 HE2 MET 74 1HE MET 74 11.301 19.479 -10.996 630 HE3 MET 74 2HE MET 74 12.923 19.750 -11.633 631 H MET 75 H MET 75 12.104 25.370 -7.820 632 HA MET 75 HA MET 75 12.323 26.872 -10.337 633 HB2 MET 75 2HB MET 75 12.078 27.848 -7.487 634 HB3 MET 75 3HB MET 75 12.286 28.894 -8.884 635 HG2 MET 75 2HG MET 75 10.073 27.053 -9.215 636 HG3 MET 75 3HG MET 75 9.897 28.068 -7.785 637 HE1 MET 75 3HE MET 75 9.972 28.339 -11.939 638 HE2 MET 75 1HE MET 75 8.828 27.500 -10.891 639 HE3 MET 75 2HE MET 75 8.378 29.032 -11.639 640 H GLY 76 H GLY 76 14.272 27.390 -11.093 641 HA2 GLY 76 2HA GLY 76 16.445 28.404 -9.862 642 HA3 GLY 76 3HA GLY 76 16.623 26.683 -9.558 643 H THR 77 H THR 77 18.567 26.692 -10.774 644 HA THR 77 HA THR 77 18.085 26.589 -13.670 645 HB THR 77 HB THR 77 19.185 28.674 -13.453 646 HG1 THR 77 HG1 THR 77 20.134 27.414 -15.072 647 HG21 THR 77 3HG2 THR 77 20.297 29.129 -11.574 648 HG22 THR 77 1HG2 THR 77 21.645 28.187 -12.211 649 HG23 THR 77 2HG2 THR 77 20.440 27.415 -11.181 650 H ARG 78 H ARG 78 19.411 25.141 -14.828 651 HA ARG 78 HA ARG 78 20.116 22.791 -13.417 652 HB2 ARG 78 2HB ARG 78 20.305 23.720 -16.242 653 HB3 ARG 78 3HB ARG 78 21.274 22.332 -15.766 654 HG2 ARG 78 2HG ARG 78 19.465 21.132 -16.270 655 HG3 ARG 78 3HG ARG 78 18.829 21.703 -14.726 656 HD2 ARG 78 2HD ARG 78 17.184 22.746 -15.789 657 HD3 ARG 78 3HD ARG 78 18.365 23.724 -16.660 658 HE ARG 78 HE ARG 78 16.926 21.428 -17.657 659 HH11 ARG 78 1HH1 ARG 78 19.678 23.522 -18.060 660 HH12 ARG 78 2HH1 ARG 78 19.874 23.157 -19.742 661 HH21 ARG 78 1HH2 ARG 78 17.174 20.939 -19.871 662 HH22 ARG 78 2HH2 ARG 78 18.449 21.688 -20.771 663 H GLU 79 H GLU 79 22.188 21.797 -13.224 664 HA GLU 79 HA GLU 79 24.199 23.512 -12.261 665 HB2 GLU 79 2HB GLU 79 25.610 21.442 -12.213 666 HB3 GLU 79 3HB GLU 79 24.060 21.284 -11.400 667 HG2 GLU 79 2HG GLU 79 23.170 19.953 -13.103 668 HG3 GLU 79 3HG GLU 79 24.438 20.408 -14.240 669 H GLU 80 H GLU 80 26.591 23.016 -13.102 670 HA GLU 80 HA GLU 80 26.699 23.124 -16.017 671 HB2 GLU 80 2HB GLU 80 26.509 25.477 -14.888 672 HB3 GLU 80 3HB GLU 80 28.198 25.211 -14.476 673 HG2 GLU 80 2HG GLU 80 28.322 26.388 -16.457 674 HG3 GLU 80 3HG GLU 80 28.508 24.715 -16.980 675 H SER 81 H SER 81 27.643 21.006 -15.551 676 HA SER 81 HA SER 81 30.467 21.078 -15.633 677 HB2 SER 81 2HB SER 81 31.133 20.595 -13.527 678 HB3 SER 81 3HB SER 81 29.558 21.228 -13.048 679 HG SER 81 HG SER 81 30.026 19.118 -12.201 680 HN1 NH2 90 H1 NH2 90 29.532 17.267 -15.273 Start of MODEL 7 1 H1 MET 1 H MET 1 2.641 0.441 0.583 2 HA MET 1 HA MET 1 3.637 -0.934 -1.570 3 HB2 MET 1 2HB MET 1 0.916 0.150 -2.062 4 HB3 MET 1 3HB MET 1 2.102 0.369 -3.342 5 HG2 MET 1 2HG MET 1 2.170 -2.328 -2.347 6 HG3 MET 1 3HG MET 1 0.538 -1.881 -2.837 7 HE1 MET 1 3HE MET 1 2.614 -4.208 -4.583 8 HE2 MET 1 1HE MET 1 3.878 -3.254 -5.358 9 HE3 MET 1 2HE MET 1 3.700 -3.221 -3.604 10 H ALA 2 H ALA 2 4.229 0.681 -3.468 11 HA ALA 2 HA ALA 2 5.552 2.902 -2.179 12 HB1 ALA 2 1HB ALA 2 5.947 3.009 -4.974 13 HB2 ALA 2 2HB ALA 2 7.074 2.464 -3.731 14 HB3 ALA 2 3HB ALA 2 5.987 1.310 -4.503 15 H LEU 3 H LEU 3 5.371 5.093 -2.805 16 HA LEU 3 HA LEU 3 2.764 5.764 -3.998 17 HB2 LEU 3 2HB LEU 3 4.179 6.715 -1.646 18 HB3 LEU 3 3HB LEU 3 3.680 8.032 -2.706 19 HG LEU 3 HG LEU 3 1.843 5.946 -1.531 20 HD11 LEU 3 1HD1 LEU 3 2.960 7.797 -0.048 21 HD12 LEU 3 2HD1 LEU 3 1.242 7.431 0.105 22 HD13 LEU 3 3HD1 LEU 3 1.764 8.837 -0.822 23 HD21 LEU 3 3HD2 LEU 3 1.289 8.418 -3.167 24 HD22 LEU 3 1HD2 LEU 3 0.064 7.435 -2.366 25 HD23 LEU 3 2HD2 LEU 3 1.036 6.745 -3.666 26 HA PRO 4 HA PRO 4 5.394 7.353 -7.276 27 HB2 PRO 4 2HB PRO 4 3.347 7.852 -8.988 28 HB3 PRO 4 3HB PRO 4 4.023 6.237 -8.743 29 HG2 PRO 4 2HG PRO 4 1.554 7.456 -7.568 30 HG3 PRO 4 3HG PRO 4 1.793 5.826 -8.226 31 HD2 PRO 4 2HD PRO 4 1.809 6.341 -5.568 32 HD3 PRO 4 3HD PRO 4 2.796 5.059 -6.298 33 H ILE 5 H ILE 5 5.709 9.401 -8.249 34 HA ILE 5 HA ILE 5 3.963 11.595 -7.488 35 HB ILE 5 HB ILE 5 6.878 11.603 -6.697 36 HG12 ILE 5 2HG1 ILE 5 4.355 11.418 -5.041 37 HG13 ILE 5 3HG1 ILE 5 5.621 10.203 -5.179 38 HG21 ILE 5 1HG2 ILE 5 6.450 13.773 -5.750 39 HG22 ILE 5 2HG2 ILE 5 5.973 13.784 -7.447 40 HG23 ILE 5 3HG2 ILE 5 4.745 13.670 -6.187 41 HD11 ILE 5 3HD1 ILE 5 6.935 12.491 -4.321 42 HD12 ILE 5 1HD1 ILE 5 5.425 12.465 -3.410 43 HD13 ILE 5 2HD1 ILE 5 6.514 11.078 -3.354 44 H ILE 6 H ILE 6 3.964 13.217 -8.954 45 HA ILE 6 HA ILE 6 5.672 12.870 -11.300 46 HB ILE 6 HB ILE 6 3.122 14.379 -10.814 47 HG12 ILE 6 2HG1 ILE 6 3.436 12.792 -13.246 48 HG13 ILE 6 3HG1 ILE 6 3.691 11.849 -11.782 49 HG21 ILE 6 1HG2 ILE 6 4.389 15.969 -12.020 50 HG22 ILE 6 2HG2 ILE 6 5.058 14.735 -13.087 51 HG23 ILE 6 3HG2 ILE 6 3.353 15.170 -13.202 52 HD11 ILE 6 3HD1 ILE 6 1.261 12.557 -12.971 53 HD12 ILE 6 1HD1 ILE 6 1.514 11.739 -11.429 54 HD13 ILE 6 2HD1 ILE 6 1.371 13.496 -11.482 55 H VAL 7 H VAL 7 7.081 14.398 -12.044 56 HA VAL 7 HA VAL 7 7.419 16.823 -10.405 57 HB VAL 7 HB VAL 7 9.185 15.228 -9.837 58 HG11 VAL 7 1HG1 VAL 7 9.078 14.549 -12.528 59 HG12 VAL 7 2HG1 VAL 7 10.646 15.332 -12.330 60 HG13 VAL 7 3HG1 VAL 7 10.221 13.943 -11.330 61 HG21 VAL 7 3HG2 VAL 7 11.035 16.870 -11.140 62 HG22 VAL 7 1HG2 VAL 7 9.598 17.866 -10.913 63 HG23 VAL 7 2HG2 VAL 7 10.361 17.091 -9.525 64 H LYS 8 H LYS 8 7.289 18.632 -11.545 65 HA LYS 8 HA LYS 8 7.696 18.495 -14.455 66 HB2 LYS 8 2HB LYS 8 6.237 20.395 -14.657 67 HB3 LYS 8 3HB LYS 8 5.442 19.194 -13.648 68 HG2 LYS 8 2HG LYS 8 6.573 20.602 -11.715 69 HG3 LYS 8 3HG LYS 8 6.500 21.871 -12.940 70 HD2 LYS 8 2HD LYS 8 4.170 20.215 -11.967 71 HD3 LYS 8 3HD LYS 8 4.511 21.886 -11.512 72 HE2 LYS 8 2HE LYS 8 4.520 21.712 -14.350 73 HE3 LYS 8 3HE LYS 8 3.063 20.917 -13.755 74 HZ1 LYS 8 3HZ LYS 8 3.779 23.522 -12.623 75 HZ2 LYS 8 1HZ LYS 8 2.252 22.843 -12.887 76 HZ3 LYS 8 2HZ LYS 8 3.127 23.486 -14.183 77 H TRP 9 H TRP 9 9.390 19.498 -15.314 78 HA TRP 9 HA TRP 9 10.684 21.644 -13.763 79 HB2 TRP 9 2HB TRP 9 12.225 19.906 -13.549 80 HB3 TRP 9 3HB TRP 9 11.896 19.283 -15.163 81 HD1 TRP 9 HD1 TRP 9 13.957 19.588 -16.632 82 HE1 TRP 9 HE1 TRP 9 15.746 21.408 -16.962 83 HE3 TRP 9 HE3 TRP 9 12.394 22.914 -13.078 84 HZ2 TRP 9 HZ2 TRP 9 16.408 23.922 -15.861 85 HZ3 TRP 9 HZ3 TRP 9 13.661 25.002 -12.780 86 HH2 TRP 9 HH2 TRP 9 15.626 25.494 -14.143 87 H GLY 10 H GLY 10 9.996 23.411 -14.857 88 HA2 GLY 10 2HA GLY 10 10.335 25.003 -16.540 89 HA3 GLY 10 3HA GLY 10 10.990 23.740 -17.572 90 H GLY 11 H GLY 11 9.454 22.221 -18.542 91 HA2 GLY 11 2HA GLY 11 6.669 23.074 -18.607 92 HA3 GLY 11 3HA GLY 11 7.561 23.241 -20.112 93 H GLN 12 H GLN 12 8.513 20.636 -18.111 94 HA GLN 12 HA GLN 12 6.866 18.765 -19.675 95 HB2 GLN 12 2HB GLN 12 9.826 18.582 -19.108 96 HB3 GLN 12 3HB GLN 12 8.867 17.234 -19.703 97 HG2 GLN 12 2HG GLN 12 8.693 19.754 -21.230 98 HG3 GLN 12 3HG GLN 12 10.226 18.886 -21.297 99 HE21 GLN 12 1HE2 GLN 12 10.380 17.060 -22.479 100 HE22 GLN 12 2HE2 GLN 12 9.085 16.387 -23.402 101 H GLU 13 H GLU 13 6.047 17.041 -18.587 102 HA GLU 13 HA GLU 13 6.530 16.993 -15.692 103 HB2 GLU 13 2HB GLU 13 4.236 15.892 -17.324 104 HB3 GLU 13 3HB GLU 13 4.389 15.731 -15.580 105 HG2 GLU 13 2HG GLU 13 4.177 18.081 -15.266 106 HG3 GLU 13 3HG GLU 13 4.286 18.378 -17.000 107 H TYR 14 H TYR 14 7.109 15.137 -14.624 108 HA TYR 14 HA TYR 14 7.558 12.720 -16.225 109 HB2 TYR 14 2HB TYR 14 9.601 14.034 -14.424 110 HB3 TYR 14 3HB TYR 14 9.772 12.424 -15.116 111 HD1 TYR 14 HD1 TYR 14 9.526 16.022 -15.954 112 HD2 TYR 14 HD2 TYR 14 10.533 12.127 -17.338 113 HE1 TYR 14 HE1 TYR 14 10.530 17.005 -17.973 114 HE2 TYR 14 HE2 TYR 14 11.541 13.099 -19.359 115 HH TYR 14 HH TYR 14 12.416 15.131 -20.186 116 H SER 15 H SER 15 6.479 11.127 -15.291 117 HA SER 15 HA SER 15 5.716 11.262 -12.511 118 HB2 SER 15 2HB SER 15 5.137 8.717 -13.747 119 HB3 SER 15 3HB SER 15 4.020 9.956 -13.177 120 HG SER 15 HG SER 15 4.416 11.043 -15.204 121 H VAL 16 H VAL 16 6.577 10.171 -10.841 122 HA VAL 16 HA VAL 16 8.996 8.612 -11.357 123 HB VAL 16 HB VAL 16 7.883 9.728 -8.780 124 HG11 VAL 16 1HG1 VAL 16 9.070 7.997 -7.919 125 HG12 VAL 16 2HG1 VAL 16 10.102 7.852 -9.343 126 HG13 VAL 16 3HG1 VAL 16 10.406 9.122 -8.157 127 HG21 VAL 16 3HG2 VAL 16 10.237 10.949 -9.086 128 HG22 VAL 16 1HG2 VAL 16 9.843 10.681 -10.784 129 HG23 VAL 16 2HG2 VAL 16 8.738 11.593 -9.756 130 H THR 17 H THR 17 9.242 6.497 -10.801 131 HA THR 17 HA THR 17 7.153 5.128 -9.308 132 HB THR 17 HB THR 17 7.242 3.296 -11.190 133 HG1 THR 17 HG1 THR 17 8.765 4.867 -12.364 134 HG21 THR 17 3HG2 THR 17 5.107 3.879 -11.543 135 HG22 THR 17 1HG2 THR 17 5.555 5.460 -12.180 136 HG23 THR 17 2HG2 THR 17 5.416 5.218 -10.438 137 H THR 18 H THR 18 8.674 4.649 -7.741 138 HA THR 18 HA THR 18 10.078 2.277 -7.926 139 HB THR 18 HB THR 18 11.678 3.125 -9.415 140 HG1 THR 18 HG1 THR 18 13.061 2.278 -8.040 141 HG21 THR 18 3HG2 THR 18 11.140 5.646 -8.053 142 HG22 THR 18 1HG2 THR 18 11.696 5.348 -9.699 143 HG23 THR 18 2HG2 THR 18 12.855 5.389 -8.370 144 H LEU 19 H LEU 19 9.757 5.428 -6.483 145 HA LEU 19 HA LEU 19 11.025 4.630 -4.004 146 HB2 LEU 19 2HB LEU 19 10.100 7.106 -5.224 147 HB3 LEU 19 3HB LEU 19 9.696 6.995 -3.512 148 HG LEU 19 HG LEU 19 11.828 8.188 -3.995 149 HD11 LEU 19 1HD1 LEU 19 11.863 5.683 -2.332 150 HD12 LEU 19 2HD1 LEU 19 11.559 7.339 -1.808 151 HD13 LEU 19 3HD1 LEU 19 13.176 6.861 -2.323 152 HD21 LEU 19 3HD2 LEU 19 12.563 6.848 -5.897 153 HD22 LEU 19 1HD2 LEU 19 12.764 5.448 -4.843 154 HD23 LEU 19 2HD2 LEU 19 13.786 6.869 -4.626 155 H SER 20 H SER 20 9.959 4.517 -1.983 156 HA SER 20 HA SER 20 7.041 4.173 -2.115 157 HB2 SER 20 2HB SER 20 7.887 2.353 -0.187 158 HB3 SER 20 3HB SER 20 7.329 1.964 -1.814 159 HG SER 20 HG SER 20 10.018 2.529 -1.099 160 H GLU 21 H GLU 21 6.081 4.069 0.150 161 HA GLU 21 HA GLU 21 6.693 6.437 1.520 162 HB2 GLU 21 2HB GLU 21 5.220 4.089 2.707 163 HB3 GLU 21 3HB GLU 21 5.036 5.790 3.110 164 HG2 GLU 21 2HG GLU 21 4.175 6.172 0.806 165 HG3 GLU 21 3HG GLU 21 4.213 4.427 0.558 166 H ASP 22 H ASP 22 8.010 3.270 1.762 167 HA ASP 22 HA ASP 22 8.974 3.416 4.430 168 HB2 ASP 22 2HB ASP 22 8.826 1.443 2.531 169 HB3 ASP 22 3HB ASP 22 10.553 1.788 2.564 170 H ASP 23 H ASP 23 9.868 5.043 1.632 171 HA ASP 23 HA ASP 23 12.637 5.427 2.515 172 HB2 ASP 23 2HB ASP 23 11.411 6.517 -0.014 173 HB3 ASP 23 3HB ASP 23 13.115 6.261 0.348 174 H THR 24 H THR 24 12.768 8.006 1.090 175 HA THR 24 HA THR 24 11.191 9.707 2.896 176 HB THR 24 HB THR 24 13.565 11.104 2.559 177 HG1 THR 24 HG1 THR 24 14.081 8.342 3.030 178 HG21 THR 24 3HG2 THR 24 12.579 11.303 4.627 179 HG22 THR 24 1HG2 THR 24 13.914 10.219 5.017 180 HG23 THR 24 2HG2 THR 24 12.292 9.570 4.778 181 H VAL 25 H VAL 25 11.404 12.085 2.190 182 HA VAL 25 HA VAL 25 10.468 12.291 -0.475 183 HB VAL 25 HB VAL 25 11.442 14.596 1.206 184 HG11 VAL 25 1HG1 VAL 25 10.807 15.692 -0.638 185 HG12 VAL 25 2HG1 VAL 25 9.942 14.294 -1.281 186 HG13 VAL 25 3HG1 VAL 25 9.159 15.354 -0.107 187 HG21 VAL 25 3HG2 VAL 25 9.103 12.827 1.572 188 HG22 VAL 25 1HG2 VAL 25 10.001 13.784 2.751 189 HG23 VAL 25 2HG2 VAL 25 8.806 14.560 1.711 190 H LEU 26 H LEU 26 13.545 13.113 1.069 191 HA LEU 26 HA LEU 26 14.748 14.364 -1.135 192 HB2 LEU 26 2HB LEU 26 16.589 14.484 0.156 193 HB3 LEU 26 3HB LEU 26 15.458 14.003 1.419 194 HG LEU 26 HG LEU 26 16.250 11.580 0.703 195 HD11 LEU 26 1HD1 LEU 26 18.304 11.393 -0.260 196 HD12 LEU 26 2HD1 LEU 26 18.847 12.966 0.322 197 HD13 LEU 26 3HD1 LEU 26 17.751 12.867 -1.056 198 HD21 LEU 26 3HD2 LEU 26 16.453 12.772 2.921 199 HD22 LEU 26 1HD2 LEU 26 18.046 13.308 2.388 200 HD23 LEU 26 2HD2 LEU 26 17.709 11.586 2.564 201 H ASP 27 H ASP 27 14.278 11.010 -0.341 202 HA ASP 27 HA ASP 27 16.207 9.945 -2.142 203 HB2 ASP 27 2HB ASP 27 15.032 8.792 -0.143 204 HB3 ASP 27 3HB ASP 27 13.726 8.480 -1.283 205 H LEU 28 H LEU 28 12.826 10.845 -2.414 206 HA LEU 28 HA LEU 28 12.529 9.705 -5.044 207 HB2 LEU 28 2HB LEU 28 10.726 10.105 -3.218 208 HB3 LEU 28 3HB LEU 28 10.679 11.742 -3.870 209 HG LEU 28 HG LEU 28 10.417 9.632 -5.890 210 HD11 LEU 28 1HD1 LEU 28 8.425 8.706 -5.275 211 HD12 LEU 28 2HD1 LEU 28 7.981 10.065 -4.243 212 HD13 LEU 28 3HD1 LEU 28 9.174 8.889 -3.689 213 HD21 LEU 28 3HD2 LEU 28 10.032 12.261 -5.888 214 HD22 LEU 28 1HD2 LEU 28 8.406 11.761 -5.424 215 HD23 LEU 28 2HD2 LEU 28 9.112 11.176 -6.931 216 H LYS 29 H LYS 29 12.746 12.986 -3.694 217 HA LYS 29 HA LYS 29 12.590 14.370 -6.129 218 HB2 LYS 29 2HB LYS 29 13.434 14.989 -3.368 219 HB3 LYS 29 3HB LYS 29 14.121 16.022 -4.614 220 HG2 LYS 29 2HG LYS 29 12.247 17.211 -4.217 221 HG3 LYS 29 3HG LYS 29 11.567 16.078 -5.388 222 HD2 LYS 29 2HD LYS 29 11.564 15.249 -2.542 223 HD3 LYS 29 3HD LYS 29 10.450 16.537 -3.006 224 HE2 LYS 29 2HE LYS 29 10.363 14.436 -4.951 225 HE3 LYS 29 3HE LYS 29 10.130 13.758 -3.341 226 HZ1 LYS 29 3HZ LYS 29 8.637 16.179 -3.963 227 HZ2 LYS 29 1HZ LYS 29 8.169 14.815 -3.079 228 HZ3 LYS 29 2HZ LYS 29 8.154 14.773 -4.769 229 H GLN 30 H GLN 30 15.480 13.571 -4.194 230 HA GLN 30 HA GLN 30 17.373 14.474 -6.033 231 HB2 GLN 30 2HB GLN 30 18.964 13.508 -4.673 232 HB3 GLN 30 3HB GLN 30 17.610 13.640 -3.558 233 HG2 GLN 30 2HG GLN 30 18.153 11.498 -3.133 234 HG3 GLN 30 3HG GLN 30 17.113 11.207 -4.526 235 HE21 GLN 30 1HE2 GLN 30 20.492 11.873 -3.697 236 HE22 GLN 30 2HE2 GLN 30 21.173 10.849 -4.910 237 H PHE 31 H PHE 31 15.409 11.651 -6.056 238 HA PHE 31 HA PHE 31 17.072 10.114 -7.821 239 HB2 PHE 31 2HB PHE 31 15.603 8.886 -6.396 240 HB3 PHE 31 3HB PHE 31 14.207 9.821 -6.921 241 HD1 PHE 31 HD2 PHE 31 16.551 7.155 -7.816 242 HD2 PHE 31 HD1 PHE 31 13.095 9.341 -8.995 243 HE1 PHE 31 HE2 PHE 31 16.078 5.469 -9.544 244 HE2 PHE 31 HE1 PHE 31 12.616 7.658 -10.724 245 HZ PHE 31 HZ PHE 31 14.109 5.719 -11.001 246 H LEU 32 H LEU 32 13.946 11.782 -8.225 247 HA LEU 32 HA LEU 32 13.870 11.448 -11.038 248 HB2 LEU 32 2HB LEU 32 12.108 13.229 -10.929 249 HB3 LEU 32 3HB LEU 32 11.822 11.812 -9.921 250 HG LEU 32 HG LEU 32 13.000 13.421 -8.117 251 HD11 LEU 32 1HD1 LEU 32 11.482 15.607 -8.772 252 HD12 LEU 32 2HD1 LEU 32 12.180 15.141 -10.322 253 HD13 LEU 32 3HD1 LEU 32 13.232 15.479 -8.947 254 HD21 LEU 32 3HD2 LEU 32 10.091 13.361 -8.906 255 HD22 LEU 32 1HD2 LEU 32 10.703 13.999 -7.380 256 HD23 LEU 32 2HD2 LEU 32 10.907 12.290 -7.767 257 H LYS 33 H LYS 33 14.891 14.119 -8.948 258 HA LYS 33 HA LYS 33 15.358 16.057 -10.879 259 HB2 LYS 33 2HB LYS 33 15.809 17.126 -8.967 260 HB3 LYS 33 3HB LYS 33 16.076 15.610 -8.117 261 HG2 LYS 33 2HG LYS 33 18.197 16.743 -9.893 262 HG3 LYS 33 3HG LYS 33 17.985 17.339 -8.245 263 HD2 LYS 33 2HD LYS 33 18.777 15.435 -7.315 264 HD3 LYS 33 3HD LYS 33 18.055 14.406 -8.555 265 HE2 LYS 33 2HE LYS 33 20.180 14.143 -9.240 266 HE3 LYS 33 3HE LYS 33 19.936 15.714 -10.002 267 HZ1 LYS 33 3HZ LYS 33 20.741 16.624 -7.752 268 HZ2 LYS 33 1HZ LYS 33 21.886 15.996 -8.827 269 HZ3 LYS 33 2HZ LYS 33 21.369 15.072 -7.508 270 H THR 34 H THR 34 17.165 13.197 -10.114 271 HA THR 34 HA THR 34 19.559 14.019 -11.488 272 HB THR 34 HB THR 34 19.066 12.100 -9.611 273 HG1 THR 34 HG1 THR 34 21.234 11.605 -9.924 274 HG21 THR 34 3HG2 THR 34 18.021 10.723 -11.481 275 HG22 THR 34 1HG2 THR 34 19.276 9.934 -10.527 276 HG23 THR 34 2HG2 THR 34 19.652 10.563 -12.131 277 H LEU 35 H LEU 35 16.582 12.482 -12.325 278 HA LEU 35 HA LEU 35 17.529 11.233 -14.726 279 HB2 LEU 35 2HB LEU 35 14.671 11.944 -14.166 280 HB3 LEU 35 3HB LEU 35 15.307 10.601 -15.113 281 HG LEU 35 HG LEU 35 15.433 10.856 -12.109 282 HD11 LEU 35 1HD1 LEU 35 13.946 8.674 -13.418 283 HD12 LEU 35 2HD1 LEU 35 13.228 10.281 -13.532 284 HD13 LEU 35 3HD1 LEU 35 13.580 9.582 -11.951 285 HD21 LEU 35 3HD2 LEU 35 16.372 8.669 -12.090 286 HD22 LEU 35 1HD2 LEU 35 17.337 9.644 -13.199 287 HD23 LEU 35 2HD2 LEU 35 16.159 8.496 -13.833 288 H THR 36 H THR 36 15.303 13.969 -14.173 289 HA THR 36 HA THR 36 16.397 15.247 -16.581 290 HB THR 36 HB THR 36 14.351 14.255 -17.353 291 HG1 THR 36 HG1 THR 36 14.850 16.656 -17.683 292 HG21 THR 36 3HG2 THR 36 13.473 14.643 -14.718 293 HG22 THR 36 1HG2 THR 36 12.575 13.914 -16.048 294 HG23 THR 36 2HG2 THR 36 12.424 15.641 -15.724 295 H GLY 37 H GLY 37 14.900 15.502 -13.448 296 HA2 GLY 37 2HA GLY 37 14.454 18.284 -13.388 297 HA3 GLY 37 3HA GLY 37 14.681 17.254 -11.982 298 H VAL 38 H VAL 38 15.673 19.534 -11.477 299 HA VAL 38 HA VAL 38 18.529 19.469 -12.201 300 HB VAL 38 HB VAL 38 17.778 21.537 -12.954 301 HG11 VAL 38 1HG1 VAL 38 16.422 22.938 -11.069 302 HG12 VAL 38 2HG1 VAL 38 15.659 21.992 -12.349 303 HG13 VAL 38 3HG1 VAL 38 15.862 21.299 -10.740 304 HG21 VAL 38 3HG2 VAL 38 19.731 21.707 -11.433 305 HG22 VAL 38 1HG2 VAL 38 18.777 23.188 -11.513 306 HG23 VAL 38 2HG2 VAL 38 18.629 22.118 -10.119 307 H LEU 39 H LEU 39 20.060 19.469 -10.619 308 HA LEU 39 HA LEU 39 19.497 18.394 -8.128 309 HB2 LEU 39 2HB LEU 39 21.814 19.461 -7.548 310 HB3 LEU 39 3HB LEU 39 21.690 18.134 -8.702 311 HG LEU 39 HG LEU 39 23.233 20.087 -9.283 312 HD11 LEU 39 1HD1 LEU 39 21.587 19.988 -11.616 313 HD12 LEU 39 2HD1 LEU 39 21.610 18.401 -10.846 314 HD13 LEU 39 3HD1 LEU 39 23.124 19.182 -11.302 315 HD21 LEU 39 3HD2 LEU 39 21.826 21.933 -8.698 316 HD22 LEU 39 1HD2 LEU 39 20.547 21.364 -9.771 317 HD23 LEU 39 2HD2 LEU 39 22.065 21.958 -10.446 318 HA PRO 40 HA PRO 40 18.065 21.694 -5.607 319 HB2 PRO 40 2HB PRO 40 19.015 20.920 -3.185 320 HB3 PRO 40 3HB PRO 40 17.664 20.113 -3.989 321 HG2 PRO 40 2HG PRO 40 20.547 19.316 -3.869 322 HG3 PRO 40 3HG PRO 40 19.099 18.307 -3.696 323 HD2 PRO 40 2HD PRO 40 20.519 18.435 -5.999 324 HD3 PRO 40 3HD PRO 40 18.762 18.180 -5.973 325 H GLU 41 H GLU 41 21.455 20.943 -5.762 326 HA GLU 41 HA GLU 41 22.554 22.903 -4.136 327 HB2 GLU 41 2HB GLU 41 23.928 21.184 -5.141 328 HB3 GLU 41 3HB GLU 41 23.572 21.788 -6.753 329 HG2 GLU 41 2HG GLU 41 25.005 23.548 -6.567 330 HG3 GLU 41 3HG GLU 41 24.831 23.649 -4.816 331 H ARG 42 H ARG 42 21.356 23.135 -7.444 332 HA ARG 42 HA ARG 42 21.935 26.014 -7.440 333 HB2 ARG 42 2HB ARG 42 21.573 23.973 -9.584 334 HB3 ARG 42 3HB ARG 42 21.129 25.637 -9.939 335 HG2 ARG 42 2HG ARG 42 23.249 26.230 -10.202 336 HG3 ARG 42 3HG ARG 42 23.714 25.496 -8.666 337 HD2 ARG 42 2HD ARG 42 23.713 23.278 -9.827 338 HD3 ARG 42 3HD ARG 42 23.469 24.140 -11.345 339 HE ARG 42 HE ARG 42 25.916 23.859 -9.910 340 HH11 ARG 42 1HH1 ARG 42 24.120 25.994 -11.992 341 HH12 ARG 42 2HH1 ARG 42 25.531 26.775 -12.627 342 HH21 ARG 42 1HH2 ARG 42 27.781 24.879 -10.738 343 HH22 ARG 42 2HH2 ARG 42 27.613 26.139 -11.913 344 H GLN 43 H GLN 43 19.338 23.667 -7.915 345 HA GLN 43 HA GLN 43 17.377 25.838 -8.025 346 HB2 GLN 43 2HB GLN 43 15.914 24.376 -9.043 347 HB3 GLN 43 3HB GLN 43 17.458 23.748 -9.606 348 HG2 GLN 43 2HG GLN 43 16.421 21.820 -8.971 349 HG3 GLN 43 3HG GLN 43 17.277 22.233 -7.486 350 HE21 GLN 43 1HE2 GLN 43 15.624 20.782 -6.576 351 HE22 GLN 43 2HE2 GLN 43 14.102 21.459 -6.122 352 H LYS 44 H LYS 44 15.451 25.727 -6.700 353 HA LYS 44 HA LYS 44 15.840 24.263 -4.175 354 HB2 LYS 44 2HB LYS 44 14.947 26.205 -2.957 355 HB3 LYS 44 3HB LYS 44 16.436 26.596 -3.807 356 HG2 LYS 44 2HG LYS 44 15.183 28.426 -4.322 357 HG3 LYS 44 3HG LYS 44 14.777 27.382 -5.686 358 HD2 LYS 44 2HD LYS 44 12.629 27.394 -5.112 359 HD3 LYS 44 3HD LYS 44 13.022 26.829 -3.487 360 HE2 LYS 44 2HE LYS 44 12.825 28.882 -2.598 361 HE3 LYS 44 3HE LYS 44 13.633 29.654 -3.962 362 HZ1 LYS 44 3HZ LYS 44 10.874 29.508 -3.399 363 HZ2 LYS 44 1HZ LYS 44 11.176 28.756 -4.884 364 HZ3 LYS 44 2HZ LYS 44 11.660 30.357 -4.634 365 H LEU 45 H LEU 45 14.032 23.387 -3.247 366 HA LEU 45 HA LEU 45 11.807 22.882 -4.923 367 HB2 LEU 45 2HB LEU 45 12.355 22.354 -2.017 368 HB3 LEU 45 3HB LEU 45 10.829 21.910 -2.778 369 HG LEU 45 HG LEU 45 12.210 19.966 -2.680 370 HD11 LEU 45 1HD1 LEU 45 12.324 19.346 -5.002 371 HD12 LEU 45 2HD1 LEU 45 12.315 21.039 -5.495 372 HD13 LEU 45 3HD1 LEU 45 10.887 20.334 -4.738 373 HD21 LEU 45 3HD2 LEU 45 14.429 19.838 -3.555 374 HD22 LEU 45 1HD2 LEU 45 14.360 21.217 -2.458 375 HD23 LEU 45 2HD2 LEU 45 14.328 21.476 -4.202 376 H LEU 46 H LEU 46 9.825 23.790 -5.031 377 HA LEU 46 HA LEU 46 9.458 26.376 -3.833 378 HB2 LEU 46 2HB LEU 46 7.814 24.669 -5.674 379 HB3 LEU 46 3HB LEU 46 7.182 26.168 -4.996 380 HG LEU 46 HG LEU 46 9.286 27.254 -6.037 381 HD11 LEU 46 1HD1 LEU 46 9.342 25.496 -8.263 382 HD12 LEU 46 2HD1 LEU 46 9.672 24.554 -6.810 383 HD13 LEU 46 3HD1 LEU 46 10.663 25.962 -7.192 384 HD21 LEU 46 3HD2 LEU 46 6.836 27.407 -6.757 385 HD22 LEU 46 1HD2 LEU 46 7.260 26.231 -8.001 386 HD23 LEU 46 2HD2 LEU 46 8.067 27.799 -7.959 387 H GLY 47 H GLY 47 7.103 23.712 -3.964 388 HA2 GLY 47 2HA GLY 47 6.174 24.489 -1.300 389 HA3 GLY 47 3HA GLY 47 5.322 23.450 -2.432 390 H LEU 48 H LEU 48 8.488 23.432 -0.786 391 HA LEU 48 HA LEU 48 8.806 20.676 -0.698 392 HB2 LEU 48 2HB LEU 48 10.346 21.095 1.196 393 HB3 LEU 48 3HB LEU 48 10.638 22.126 -0.203 394 HG LEU 48 HG LEU 48 9.094 23.785 1.201 395 HD11 LEU 48 1HD1 LEU 48 10.494 22.147 3.310 396 HD12 LEU 48 2HD1 LEU 48 8.754 22.173 3.023 397 HD13 LEU 48 3HD1 LEU 48 9.579 23.632 3.570 398 HD21 LEU 48 3HD2 LEU 48 10.981 25.003 1.471 399 HD22 LEU 48 1HD2 LEU 48 11.660 23.748 0.435 400 HD23 LEU 48 2HD2 LEU 48 11.879 23.662 2.183 401 H LYS 49 H LYS 49 6.774 22.730 1.193 402 HA LYS 49 HA LYS 49 6.208 20.546 3.075 403 HB2 LYS 49 2HB LYS 49 4.768 22.659 4.010 404 HB3 LYS 49 3HB LYS 49 6.406 22.268 4.517 405 HG2 LYS 49 2HG LYS 49 7.328 23.859 2.983 406 HG3 LYS 49 3HG LYS 49 5.741 24.158 2.271 407 HD2 LYS 49 2HD LYS 49 5.278 25.689 3.819 408 HD3 LYS 49 3HD LYS 49 5.642 24.550 5.117 409 HE2 LYS 49 2HE LYS 49 8.019 25.089 4.923 410 HE3 LYS 49 3HE LYS 49 7.661 26.215 3.615 411 HZ1 LYS 49 3HZ LYS 49 6.712 27.716 5.043 412 HZ2 LYS 49 1HZ LYS 49 7.924 27.073 6.034 413 HZ3 LYS 49 2HZ LYS 49 6.324 26.553 6.209 414 H VAL 50 H VAL 50 4.154 19.724 3.330 415 HA VAL 50 HA VAL 50 1.999 20.781 1.665 416 HB VAL 50 HB VAL 50 3.121 19.061 0.288 417 HG11 VAL 50 1HG1 VAL 50 3.517 17.716 2.609 418 HG12 VAL 50 2HG1 VAL 50 2.149 16.830 1.934 419 HG13 VAL 50 3HG1 VAL 50 3.640 16.994 1.005 420 HG21 VAL 50 3HG2 VAL 50 1.129 18.591 -0.588 421 HG22 VAL 50 1HG2 VAL 50 0.687 17.596 0.799 422 HG23 VAL 50 2HG2 VAL 50 0.402 19.336 0.835 423 H LYS 51 H LYS 51 -0.044 20.381 2.448 424 HA LYS 51 HA LYS 51 -1.624 20.038 4.051 425 HB2 LYS 51 2HB LYS 51 -0.039 17.501 4.492 426 HB3 LYS 51 3HB LYS 51 -1.679 17.791 5.057 427 HG2 LYS 51 2HG LYS 51 -1.788 18.317 2.336 428 HG3 LYS 51 3HG LYS 51 -0.744 16.901 2.474 429 HD2 LYS 51 2HD LYS 51 -2.415 15.580 3.288 430 HD3 LYS 51 3HD LYS 51 -3.236 16.924 4.085 431 HE2 LYS 51 2HE LYS 51 -4.632 16.229 2.297 432 HE3 LYS 51 3HE LYS 51 -3.881 17.744 1.796 433 HZ1 LYS 51 3HZ LYS 51 -3.102 16.717 0.015 434 HZ2 LYS 51 1HZ LYS 51 -3.802 15.258 0.508 435 HZ3 LYS 51 2HZ LYS 51 -2.226 15.643 0.985 436 H GLY 52 H GLY 52 0.691 21.569 4.821 437 HA2 GLY 52 2HA GLY 52 1.191 22.672 6.812 438 HA3 GLY 52 3HA GLY 52 0.331 21.418 7.694 439 H LYS 53 H LYS 53 2.080 19.500 5.959 440 HA LYS 53 HA LYS 53 4.123 19.198 7.975 441 HB2 LYS 53 2HB LYS 53 3.425 17.620 5.500 442 HB3 LYS 53 3HB LYS 53 4.784 17.214 6.540 443 HG2 LYS 53 2HG LYS 53 1.901 17.331 7.402 444 HG3 LYS 53 3HG LYS 53 2.807 15.862 7.031 445 HD2 LYS 53 2HD LYS 53 4.395 17.223 8.865 446 HD3 LYS 53 3HD LYS 53 2.747 17.434 9.461 447 HE2 LYS 53 2HE LYS 53 2.405 15.138 9.679 448 HE3 LYS 53 3HE LYS 53 3.742 14.741 8.600 449 HZ1 LYS 53 3HZ LYS 53 3.808 15.523 11.429 450 HZ2 LYS 53 1HZ LYS 53 5.133 15.904 10.447 451 HZ3 LYS 53 2HZ LYS 53 4.654 14.293 10.633 452 HA PRO 54 HA PRO 54 7.400 21.298 5.934 453 HB2 PRO 54 2HB PRO 54 9.527 19.890 6.863 454 HB3 PRO 54 3HB PRO 54 8.606 21.014 7.869 455 HG2 PRO 54 2HG PRO 54 8.419 18.031 7.703 456 HG3 PRO 54 3HG PRO 54 8.401 19.075 9.136 457 HD2 PRO 54 2HD PRO 54 6.143 18.032 8.067 458 HD3 PRO 54 3HD PRO 54 6.176 19.613 8.873 459 H ALA 55 H ALA 55 7.366 17.764 5.730 460 HA ALA 55 HA ALA 55 8.270 16.328 4.172 461 HB1 ALA 55 1HB ALA 55 6.325 16.593 3.000 462 HB2 ALA 55 2HB ALA 55 6.587 18.317 2.736 463 HB3 ALA 55 3HB ALA 55 7.490 17.133 1.791 464 H GLU 56 H GLU 56 10.220 18.168 5.028 465 HA GLU 56 HA GLU 56 11.560 19.423 2.872 466 HB2 GLU 56 2HB GLU 56 11.901 20.015 5.257 467 HB3 GLU 56 3HB GLU 56 12.709 18.473 5.502 468 HG2 GLU 56 2HG GLU 56 14.620 19.428 4.948 469 HG3 GLU 56 3HG GLU 56 13.990 19.687 3.323 470 H ASN 57 H ASN 57 12.858 16.721 4.786 471 HA ASN 57 HA ASN 57 13.346 15.131 2.431 472 HB2 ASN 57 2HB ASN 57 15.890 15.055 3.199 473 HB3 ASN 57 3HB ASN 57 15.311 16.257 2.049 474 HD21 ASN 57 1HD2 ASN 57 15.656 15.771 5.544 475 HD22 ASN 57 2HD2 ASN 57 16.153 17.389 5.892 476 H ASP 58 H ASP 58 13.816 15.659 5.875 477 HA ASP 58 HA ASP 58 14.469 12.931 6.457 478 HB2 ASP 58 2HB ASP 58 13.860 15.370 8.082 479 HB3 ASP 58 3HB ASP 58 13.822 13.790 8.860 480 H VAL 59 H VAL 59 11.674 14.290 5.431 481 HA VAL 59 HA VAL 59 9.892 12.721 7.129 482 HB VAL 59 HB VAL 59 8.827 14.224 4.801 483 HG11 VAL 59 1HG1 VAL 59 7.255 13.135 6.213 484 HG12 VAL 59 2HG1 VAL 59 8.000 13.803 7.667 485 HG13 VAL 59 3HG1 VAL 59 7.138 14.862 6.550 486 HG21 VAL 59 3HG2 VAL 59 10.239 15.492 7.115 487 HG22 VAL 59 1HG2 VAL 59 10.297 15.911 5.403 488 HG23 VAL 59 2HG2 VAL 59 8.866 16.298 6.358 489 H LYS 60 H LYS 60 8.526 11.107 6.350 490 HA LYS 60 HA LYS 60 9.549 9.703 4.015 491 HB2 LYS 60 2HB LYS 60 7.626 8.946 6.209 492 HB3 LYS 60 3HB LYS 60 7.892 7.925 4.802 493 HG2 LYS 60 2HG LYS 60 10.429 8.268 5.542 494 HG3 LYS 60 3HG LYS 60 9.651 8.474 7.113 495 HD2 LYS 60 2HD LYS 60 8.386 6.264 6.016 496 HD3 LYS 60 3HD LYS 60 10.077 6.065 5.551 497 HE2 LYS 60 2HE LYS 60 10.777 5.803 7.699 498 HE3 LYS 60 3HE LYS 60 9.532 6.867 8.350 499 HZ1 LYS 60 3HZ LYS 60 7.914 5.048 7.834 500 HZ2 LYS 60 1HZ LYS 60 9.023 4.689 9.060 501 HZ3 LYS 60 2HZ LYS 60 9.234 4.040 7.513 502 H LEU 61 H LEU 61 8.298 9.093 2.242 503 HA LEU 61 HA LEU 61 6.532 10.949 1.206 504 HB2 LEU 61 2HB LEU 61 6.413 8.036 0.492 505 HB3 LEU 61 3HB LEU 61 6.106 9.430 -0.541 506 HG LEU 61 HG LEU 61 8.800 8.577 0.520 507 HD11 LEU 61 1HD1 LEU 61 9.298 7.868 -1.695 508 HD12 LEU 61 2HD1 LEU 61 7.773 8.507 -2.309 509 HD13 LEU 61 3HD1 LEU 61 7.774 7.111 -1.232 510 HD21 LEU 61 3HD2 LEU 61 8.671 10.985 0.270 511 HD22 LEU 61 1HD2 LEU 61 8.018 10.804 -1.359 512 HD23 LEU 61 2HD2 LEU 61 9.671 10.296 -1.010 513 H GLY 62 H GLY 62 5.854 8.043 3.088 514 HA2 GLY 62 2HA GLY 62 3.008 8.229 2.779 515 HA3 GLY 62 3HA GLY 62 3.869 7.190 3.904 516 H ALA 63 H ALA 63 5.288 9.800 4.784 517 HA ALA 63 HA ALA 63 3.419 10.358 6.923 518 HB1 ALA 63 1HB ALA 63 5.796 10.057 7.417 519 HB2 ALA 63 2HB ALA 63 6.181 11.465 6.426 520 HB3 ALA 63 3HB ALA 63 5.233 11.657 7.901 521 H LEU 64 H LEU 64 4.323 11.747 3.922 522 HA LEU 64 HA LEU 64 3.465 14.426 4.596 523 HB2 LEU 64 2HB LEU 64 3.748 13.671 1.764 524 HB3 LEU 64 3HB LEU 64 4.374 15.070 2.634 525 HG LEU 64 HG LEU 64 5.571 12.300 2.683 526 HD11 LEU 64 1HD1 LEU 64 5.693 13.735 0.534 527 HD12 LEU 64 2HD1 LEU 64 7.170 13.013 1.172 528 HD13 LEU 64 3HD1 LEU 64 6.829 14.720 1.457 529 HD21 LEU 64 3HD2 LEU 64 5.817 13.834 4.726 530 HD22 LEU 64 1HD2 LEU 64 6.836 14.827 3.685 531 HD23 LEU 64 2HD2 LEU 64 7.283 13.154 4.019 532 H LYS 65 H LYS 65 2.046 11.534 3.436 533 HA LYS 65 HA LYS 65 -0.025 10.995 2.652 534 HB2 LYS 65 2HB LYS 65 -0.921 13.512 4.058 535 HB3 LYS 65 3HB LYS 65 -1.875 12.070 3.732 536 HG2 LYS 65 2HG LYS 65 0.513 12.168 5.563 537 HG3 LYS 65 3HG LYS 65 -1.170 12.267 6.086 538 HD2 LYS 65 2HD LYS 65 -1.604 10.055 5.175 539 HD3 LYS 65 3HD LYS 65 0.052 9.959 4.571 540 HE2 LYS 65 2HE LYS 65 0.381 8.852 6.515 541 HE3 LYS 65 3HE LYS 65 0.549 10.487 7.153 542 HZ1 LYS 65 3HZ LYS 65 -0.975 8.968 8.417 543 HZ2 LYS 65 1HZ LYS 65 -2.039 9.045 7.104 544 HZ3 LYS 65 2HZ LYS 65 -1.650 10.451 7.960 545 H LEU 66 H LEU 66 1.489 12.324 0.771 546 HA LEU 66 HA LEU 66 -0.257 14.320 -0.453 547 HB2 LEU 66 2HB LEU 66 2.569 13.698 -0.532 548 HB3 LEU 66 3HB LEU 66 1.896 13.866 -2.152 549 HG LEU 66 HG LEU 66 1.756 15.946 0.031 550 HD11 LEU 66 1HD1 LEU 66 3.542 15.608 -2.357 551 HD12 LEU 66 2HD1 LEU 66 3.989 15.890 -0.675 552 HD13 LEU 66 3HD1 LEU 66 3.251 17.183 -1.619 553 HD21 LEU 66 3HD2 LEU 66 0.286 15.596 -2.419 554 HD22 LEU 66 1HD2 LEU 66 1.256 17.068 -2.479 555 HD23 LEU 66 2HD2 LEU 66 0.104 16.825 -1.166 556 H LYS 67 H LYS 67 -0.975 14.129 -2.631 557 HA LYS 67 HA LYS 67 -1.960 11.550 -3.287 558 HB2 LYS 67 2HB LYS 67 -2.150 14.275 -4.399 559 HB3 LYS 67 3HB LYS 67 -2.323 12.980 -5.576 560 HG2 LYS 67 2HG LYS 67 -4.434 12.739 -4.972 561 HG3 LYS 67 3HG LYS 67 -3.907 12.284 -3.349 562 HD2 LYS 67 2HD LYS 67 -3.649 14.962 -3.198 563 HD3 LYS 67 3HD LYS 67 -4.978 14.846 -4.354 564 HE2 LYS 67 2HE LYS 67 -5.024 13.251 -1.821 565 HE3 LYS 67 3HE LYS 67 -5.496 14.949 -1.812 566 HZ1 LYS 67 3HZ LYS 67 -7.382 14.525 -2.946 567 HZ2 LYS 67 1HZ LYS 67 -7.197 12.979 -2.284 568 HZ3 LYS 67 2HZ LYS 67 -6.700 13.284 -3.872 569 HA PRO 68 HA PRO 68 1.148 9.847 -5.873 570 HB2 PRO 68 2HB PRO 68 -0.311 8.676 -7.841 571 HB3 PRO 68 3HB PRO 68 -0.240 8.044 -6.192 572 HG2 PRO 68 2HG PRO 68 -2.349 9.730 -7.485 573 HG3 PRO 68 3HG PRO 68 -2.537 8.324 -6.420 574 HD2 PRO 68 2HD PRO 68 -2.806 10.869 -5.535 575 HD3 PRO 68 3HD PRO 68 -2.174 9.564 -4.511 576 H ASN 69 H ASN 69 -1.337 11.711 -7.579 577 HA ASN 69 HA ASN 69 0.317 12.146 -9.889 578 HB2 ASN 69 2HB ASN 69 -2.100 13.804 -9.243 579 HB3 ASN 69 3HB ASN 69 -1.506 13.273 -10.813 580 HD21 ASN 69 1HD2 ASN 69 -1.418 10.774 -10.964 581 HD22 ASN 69 2HD2 ASN 69 -2.856 9.964 -10.452 582 H THR 70 H THR 70 0.043 13.559 -6.817 583 HA THR 70 HA THR 70 0.369 16.189 -6.909 584 HB THR 70 HB THR 70 2.220 14.306 -5.438 585 HG1 THR 70 HG1 THR 70 0.603 14.159 -4.086 586 HG21 THR 70 3HG2 THR 70 3.360 16.362 -5.417 587 HG22 THR 70 1HG2 THR 70 2.465 16.338 -3.899 588 HG23 THR 70 2HG2 THR 70 1.867 17.287 -5.260 589 H LYS 71 H LYS 71 1.515 17.636 -8.003 590 HA LYS 71 HA LYS 71 3.824 16.735 -9.552 591 HB2 LYS 71 2HB LYS 71 2.537 19.457 -9.679 592 HB3 LYS 71 3HB LYS 71 3.532 18.668 -10.896 593 HG2 LYS 71 2HG LYS 71 1.648 18.053 -11.885 594 HG3 LYS 71 3HG LYS 71 1.397 16.938 -10.541 595 HD2 LYS 71 2HD LYS 71 0.219 18.751 -9.323 596 HD3 LYS 71 3HD LYS 71 0.385 19.773 -10.752 597 HE2 LYS 71 2HE LYS 71 -0.707 17.262 -11.543 598 HE3 LYS 71 3HE LYS 71 -1.630 17.869 -10.168 599 HZ1 LYS 71 3HZ LYS 71 -2.034 19.909 -11.335 600 HZ2 LYS 71 1HZ LYS 71 -2.496 18.621 -12.329 601 HZ3 LYS 71 2HZ LYS 71 -1.043 19.435 -12.621 602 H ILE 72 H ILE 72 5.844 17.723 -9.451 603 HA ILE 72 HA ILE 72 6.304 19.348 -7.035 604 HB ILE 72 HB ILE 72 8.218 17.449 -8.396 605 HG12 ILE 72 2HG1 ILE 72 6.486 16.254 -7.175 606 HG13 ILE 72 3HG1 ILE 72 8.009 16.143 -6.300 607 HG21 ILE 72 1HG2 ILE 72 8.544 19.156 -5.933 608 HG22 ILE 72 2HG2 ILE 72 9.674 17.906 -6.451 609 HG23 ILE 72 3HG2 ILE 72 9.408 19.327 -7.461 610 HD11 ILE 72 3HD1 ILE 72 7.216 18.015 -4.854 611 HD12 ILE 72 1HD1 ILE 72 5.649 17.884 -5.650 612 HD13 ILE 72 2HD1 ILE 72 6.282 16.525 -4.719 613 H MET 73 H MET 73 7.180 21.306 -7.275 614 HA MET 73 HA MET 73 8.048 22.100 -9.961 615 HB2 MET 73 2HB MET 73 7.212 23.751 -7.573 616 HB3 MET 73 3HB MET 73 7.775 24.427 -9.096 617 HG2 MET 73 2HG MET 73 5.886 23.686 -10.256 618 HG3 MET 73 3HG MET 73 5.435 22.561 -8.977 619 HE1 MET 73 3HE MET 73 5.048 24.474 -6.121 620 HE2 MET 73 1HE MET 73 3.374 24.235 -6.623 621 HE3 MET 73 2HE MET 73 4.576 22.981 -6.932 622 H MET 74 H MET 74 10.032 23.030 -10.349 623 HA MET 74 HA MET 74 11.897 23.243 -8.094 624 HB2 MET 74 2HB MET 74 12.604 21.917 -10.714 625 HB3 MET 74 3HB MET 74 13.635 22.078 -9.299 626 HG2 MET 74 2HG MET 74 12.497 20.456 -8.118 627 HG3 MET 74 3HG MET 74 11.037 20.628 -9.089 628 HE1 MET 74 3HE MET 74 13.963 18.661 -8.251 629 HE2 MET 74 1HE MET 74 12.497 17.684 -8.338 630 HE3 MET 74 2HE MET 74 13.861 17.323 -9.396 631 H MET 75 H MET 75 12.669 25.241 -8.065 632 HA MET 75 HA MET 75 12.893 26.711 -10.600 633 HB2 MET 75 2HB MET 75 12.789 27.742 -7.759 634 HB3 MET 75 3HB MET 75 12.927 28.746 -9.196 635 HG2 MET 75 2HG MET 75 10.670 26.897 -9.264 636 HG3 MET 75 3HG MET 75 10.600 28.067 -7.948 637 HE1 MET 75 3HE MET 75 9.715 31.172 -9.112 638 HE2 MET 75 1HE MET 75 10.850 30.323 -8.062 639 HE3 MET 75 2HE MET 75 11.441 31.198 -9.475 640 H GLY 76 H GLY 76 14.826 27.333 -11.361 641 HA2 GLY 76 2HA GLY 76 17.057 28.241 -10.273 642 HA3 GLY 76 3HA GLY 76 17.192 26.543 -9.839 643 H THR 77 H THR 77 19.082 26.312 -11.075 644 HA THR 77 HA THR 77 18.570 26.112 -13.964 645 HB THR 77 HB THR 77 19.875 28.077 -13.851 646 HG1 THR 77 HG1 THR 77 21.753 27.414 -14.907 647 HG21 THR 77 3HG2 THR 77 21.980 28.225 -12.574 648 HG22 THR 77 1HG2 THR 77 21.687 26.612 -11.927 649 HG23 THR 77 2HG2 THR 77 20.590 27.934 -11.529 650 H ARG 78 H ARG 78 19.261 24.271 -14.899 651 HA ARG 78 HA ARG 78 20.436 22.248 -13.173 652 HB2 ARG 78 2HB ARG 78 19.812 20.663 -14.848 653 HB3 ARG 78 3HB ARG 78 18.464 21.776 -14.654 654 HG2 ARG 78 2HG ARG 78 20.228 22.741 -16.693 655 HG3 ARG 78 3HG ARG 78 19.783 21.065 -17.020 656 HD2 ARG 78 2HD ARG 78 17.392 22.135 -16.274 657 HD3 ARG 78 3HD ARG 78 18.154 23.503 -17.085 658 HE ARG 78 HE ARG 78 18.300 21.043 -18.568 659 HH11 ARG 78 1HH1 ARG 78 16.381 23.864 -17.874 660 HH12 ARG 78 2HH1 ARG 78 15.497 23.789 -19.363 661 HH21 ARG 78 1HH2 ARG 78 17.144 20.934 -20.531 662 HH22 ARG 78 2HH2 ARG 78 15.931 22.122 -20.873 663 H GLU 79 H GLU 79 22.302 21.039 -13.730 664 HA GLU 79 HA GLU 79 24.353 22.639 -14.975 665 HB2 GLU 79 2HB GLU 79 24.546 19.838 -13.855 666 HB3 GLU 79 3HB GLU 79 25.888 20.909 -14.232 667 HG2 GLU 79 2HG GLU 79 25.007 22.490 -12.514 668 HG3 GLU 79 3HG GLU 79 23.835 21.253 -12.064 669 H GLU 80 H GLU 80 23.749 22.709 -17.156 670 HA GLU 80 HA GLU 80 23.271 20.350 -18.687 671 HB2 GLU 80 2HB GLU 80 23.940 23.169 -19.547 672 HB3 GLU 80 3HB GLU 80 23.456 21.882 -20.642 673 HG2 GLU 80 2HG GLU 80 21.396 21.753 -18.986 674 HG3 GLU 80 3HG GLU 80 21.843 23.435 -18.703 675 H SER 81 H SER 81 24.632 19.148 -19.908 676 HA SER 81 HA SER 81 26.583 18.202 -20.600 677 HB2 SER 81 2HB SER 81 26.706 20.980 -21.313 678 HB3 SER 81 3HB SER 81 28.322 20.421 -20.881 679 HG SER 81 HG SER 81 28.373 19.263 -22.634 680 HN1 NH2 90 H1 NH2 90 29.587 19.262 -18.435 Start of MODEL 8 1 H1 MET 1 H MET 1 3.105 -0.183 0.737 2 HA MET 1 HA MET 1 3.254 -0.910 -1.732 3 HB2 MET 1 2HB MET 1 0.678 0.667 -1.626 4 HB3 MET 1 3HB MET 1 1.512 0.224 -3.109 5 HG2 MET 1 2HG MET 1 1.275 -2.176 -2.391 6 HG3 MET 1 3HG MET 1 0.207 -1.600 -1.114 7 HE1 MET 1 3HE MET 1 -0.716 -3.778 -3.478 8 HE2 MET 1 1HE MET 1 -1.145 -2.998 -5.001 9 HE3 MET 1 2HE MET 1 0.529 -2.987 -4.446 10 H ALA 2 H ALA 2 3.987 0.675 -3.326 11 HA ALA 2 HA ALA 2 5.257 2.914 -2.024 12 HB1 ALA 2 1HB ALA 2 5.775 1.307 -4.303 13 HB2 ALA 2 2HB ALA 2 5.680 2.988 -4.829 14 HB3 ALA 2 3HB ALA 2 6.810 2.524 -3.557 15 H LEU 3 H LEU 3 5.074 5.103 -2.661 16 HA LEU 3 HA LEU 3 2.481 5.752 -3.897 17 HB2 LEU 3 2HB LEU 3 3.797 6.669 -1.503 18 HB3 LEU 3 3HB LEU 3 3.452 8.021 -2.580 19 HG LEU 3 HG LEU 3 1.430 6.056 -1.502 20 HD11 LEU 3 1HD1 LEU 3 1.559 8.984 -0.896 21 HD12 LEU 3 2HD1 LEU 3 2.490 7.821 0.047 22 HD13 LEU 3 3HD1 LEU 3 0.733 7.697 -0.017 23 HD21 LEU 3 3HD2 LEU 3 -0.164 7.801 -2.459 24 HD22 LEU 3 1HD2 LEU 3 0.632 6.721 -3.604 25 HD23 LEU 3 2HD2 LEU 3 1.215 8.373 -3.401 26 HA PRO 4 HA PRO 4 5.151 7.333 -7.148 27 HB2 PRO 4 2HB PRO 4 3.128 7.799 -8.897 28 HB3 PRO 4 3HB PRO 4 3.814 6.192 -8.627 29 HG2 PRO 4 2HG PRO 4 1.316 7.398 -7.502 30 HG3 PRO 4 3HG PRO 4 1.580 5.766 -8.142 31 HD2 PRO 4 2HD PRO 4 1.548 6.302 -5.488 32 HD3 PRO 4 3HD PRO 4 2.559 5.023 -6.192 33 H ILE 5 H ILE 5 5.461 9.375 -8.136 34 HA ILE 5 HA ILE 5 3.684 11.559 -7.424 35 HB ILE 5 HB ILE 5 6.584 11.602 -6.580 36 HG12 ILE 5 2HG1 ILE 5 4.034 11.408 -4.965 37 HG13 ILE 5 3HG1 ILE 5 5.309 10.200 -5.076 38 HG21 ILE 5 1HG2 ILE 5 4.434 13.651 -6.077 39 HG22 ILE 5 2HG2 ILE 5 6.150 13.777 -5.690 40 HG23 ILE 5 3HG2 ILE 5 5.624 13.765 -7.374 41 HD11 ILE 5 3HD1 ILE 5 6.562 12.543 -4.212 42 HD12 ILE 5 1HD1 ILE 5 5.060 12.428 -3.295 43 HD13 ILE 5 2HD1 ILE 5 6.214 11.094 -3.270 44 H ILE 6 H ILE 6 3.703 13.174 -8.900 45 HA ILE 6 HA ILE 6 5.449 12.819 -11.215 46 HB ILE 6 HB ILE 6 2.892 14.332 -10.779 47 HG12 ILE 6 2HG1 ILE 6 3.332 12.652 -13.163 48 HG13 ILE 6 3HG1 ILE 6 3.382 11.788 -11.630 49 HG21 ILE 6 1HG2 ILE 6 4.183 15.903 -11.989 50 HG22 ILE 6 2HG2 ILE 6 4.856 14.652 -13.034 51 HG23 ILE 6 3HG2 ILE 6 3.154 15.094 -13.172 52 HD11 ILE 6 3HD1 ILE 6 1.129 12.631 -13.112 53 HD12 ILE 6 1HD1 ILE 6 1.176 11.759 -11.580 54 HD13 ILE 6 2HD1 ILE 6 1.141 13.523 -11.590 55 H VAL 7 H VAL 7 6.870 14.342 -11.944 56 HA VAL 7 HA VAL 7 7.174 16.781 -10.318 57 HB VAL 7 HB VAL 7 8.934 15.210 -9.698 58 HG11 VAL 7 1HG1 VAL 7 10.056 13.925 -11.140 59 HG12 VAL 7 2HG1 VAL 7 8.843 14.407 -12.328 60 HG13 VAL 7 3HG1 VAL 7 10.376 15.276 -12.228 61 HG21 VAL 7 3HG2 VAL 7 10.137 17.059 -9.420 62 HG22 VAL 7 1HG2 VAL 7 10.792 16.828 -11.042 63 HG23 VAL 7 2HG2 VAL 7 9.357 17.826 -10.804 64 H LYS 8 H LYS 8 7.038 18.576 -11.478 65 HA LYS 8 HA LYS 8 7.495 18.418 -14.379 66 HB2 LYS 8 2HB LYS 8 6.101 20.428 -14.549 67 HB3 LYS 8 3HB LYS 8 5.243 19.124 -13.739 68 HG2 LYS 8 2HG LYS 8 6.229 20.338 -11.590 69 HG3 LYS 8 3HG LYS 8 6.188 21.723 -12.684 70 HD2 LYS 8 2HD LYS 8 3.816 19.917 -12.288 71 HD3 LYS 8 3HD LYS 8 4.119 21.315 -11.254 72 HE2 LYS 8 2HE LYS 8 4.303 21.903 -14.110 73 HE3 LYS 8 3HE LYS 8 2.710 21.338 -13.608 74 HZ1 LYS 8 3HZ LYS 8 3.654 23.212 -11.737 75 HZ2 LYS 8 1HZ LYS 8 2.299 23.318 -12.745 76 HZ3 LYS 8 2HZ LYS 8 3.801 23.878 -13.285 77 H TRP 9 H TRP 9 9.314 19.266 -15.124 78 HA TRP 9 HA TRP 9 10.546 21.485 -13.625 79 HB2 TRP 9 2HB TRP 9 12.046 19.719 -13.309 80 HB3 TRP 9 3HB TRP 9 11.786 19.082 -14.931 81 HD1 TRP 9 HD1 TRP 9 13.935 19.336 -16.280 82 HE1 TRP 9 HE1 TRP 9 15.749 21.141 -16.554 83 HE3 TRP 9 HE3 TRP 9 12.197 22.752 -12.897 84 HZ2 TRP 9 HZ2 TRP 9 16.362 23.678 -15.478 85 HZ3 TRP 9 HZ3 TRP 9 13.456 24.842 -12.578 86 HH2 TRP 9 HH2 TRP 9 15.495 25.293 -13.843 87 H GLY 10 H GLY 10 9.913 23.225 -14.794 88 HA2 GLY 10 2HA GLY 10 10.444 24.745 -16.526 89 HA3 GLY 10 3HA GLY 10 10.928 23.389 -17.535 90 H GLY 11 H GLY 11 9.268 22.083 -18.510 91 HA2 GLY 11 2HA GLY 11 6.553 23.149 -18.454 92 HA3 GLY 11 3HA GLY 11 7.404 23.256 -19.989 93 H GLN 12 H GLN 12 8.101 20.571 -17.942 94 HA GLN 12 HA GLN 12 6.333 18.854 -19.549 95 HB2 GLN 12 2HB GLN 12 9.247 18.420 -18.899 96 HB3 GLN 12 3HB GLN 12 8.190 17.132 -19.460 97 HG2 GLN 12 2HG GLN 12 8.305 19.617 -21.070 98 HG3 GLN 12 3HG GLN 12 9.703 18.543 -21.106 99 HE21 GLN 12 1HE2 GLN 12 8.315 19.002 -23.387 100 HE22 GLN 12 2HE2 GLN 12 7.436 17.588 -23.847 101 H GLU 13 H GLU 13 6.358 16.534 -18.527 102 HA GLU 13 HA GLU 13 6.303 16.751 -15.597 103 HB2 GLU 13 2HB GLU 13 4.121 15.631 -17.359 104 HB3 GLU 13 3HB GLU 13 4.195 15.389 -15.620 105 HG2 GLU 13 2HG GLU 13 4.144 17.867 -15.348 106 HG3 GLU 13 3HG GLU 13 3.861 17.994 -17.083 107 H TYR 14 H TYR 14 6.914 14.941 -14.486 108 HA TYR 14 HA TYR 14 7.474 12.505 -16.023 109 HB2 TYR 14 2HB TYR 14 9.426 13.852 -14.143 110 HB3 TYR 14 3HB TYR 14 9.663 12.281 -14.901 111 HD1 TYR 14 HD1 TYR 14 9.154 15.882 -15.691 112 HD2 TYR 14 HD2 TYR 14 10.667 12.129 -17.007 113 HE1 TYR 14 HE1 TYR 14 10.180 16.984 -17.636 114 HE2 TYR 14 HE2 TYR 14 11.698 13.221 -18.955 115 HH TYR 14 HH TYR 14 11.965 15.118 -20.075 116 H SER 15 H SER 15 6.495 10.853 -15.084 117 HA SER 15 HA SER 15 5.595 11.036 -12.340 118 HB2 SER 15 2HB SER 15 4.750 8.625 -12.971 119 HB3 SER 15 3HB SER 15 3.951 10.047 -13.641 120 HG SER 15 HG SER 15 5.392 8.093 -14.900 121 H VAL 16 H VAL 16 6.467 10.058 -10.615 122 HA VAL 16 HA VAL 16 8.943 8.557 -11.011 123 HB VAL 16 HB VAL 16 7.724 9.698 -8.493 124 HG11 VAL 16 1HG1 VAL 16 10.271 9.244 -7.823 125 HG12 VAL 16 2HG1 VAL 16 8.989 8.059 -7.566 126 HG13 VAL 16 3HG1 VAL 16 10.044 7.926 -8.972 127 HG21 VAL 16 3HG2 VAL 16 10.085 10.980 -8.862 128 HG22 VAL 16 1HG2 VAL 16 9.565 10.742 -10.531 129 HG23 VAL 16 2HG2 VAL 16 8.522 11.600 -9.396 130 H THR 17 H THR 17 9.045 6.423 -10.803 131 HA THR 17 HA THR 17 7.032 5.041 -9.172 132 HB THR 17 HB THR 17 7.160 3.194 -11.012 133 HG1 THR 17 HG1 THR 17 7.536 4.012 -13.075 134 HG21 THR 17 3HG2 THR 17 5.366 5.262 -10.443 135 HG22 THR 17 1HG2 THR 17 5.036 3.787 -11.350 136 HG23 THR 17 2HG2 THR 17 5.525 5.254 -12.199 137 H THR 18 H THR 18 8.523 4.600 -7.568 138 HA THR 18 HA THR 18 9.981 2.259 -7.701 139 HB THR 18 HB THR 18 11.596 3.129 -9.162 140 HG1 THR 18 HG1 THR 18 12.802 3.772 -6.682 141 HG21 THR 18 3HG2 THR 18 11.581 5.348 -9.465 142 HG22 THR 18 1HG2 THR 18 12.702 5.426 -8.107 143 HG23 THR 18 2HG2 THR 18 10.973 5.649 -7.837 144 H LEU 19 H LEU 19 9.567 5.417 -6.295 145 HA LEU 19 HA LEU 19 10.790 4.659 -3.778 146 HB2 LEU 19 2HB LEU 19 9.865 7.113 -5.044 147 HB3 LEU 19 3HB LEU 19 9.420 7.012 -3.342 148 HG LEU 19 HG LEU 19 11.545 8.228 -3.770 149 HD11 LEU 19 1HD1 LEU 19 11.591 5.718 -2.115 150 HD12 LEU 19 2HD1 LEU 19 11.237 7.365 -1.592 151 HD13 LEU 19 3HD1 LEU 19 12.877 6.925 -2.071 152 HD21 LEU 19 3HD2 LEU 19 13.529 6.978 -4.393 153 HD22 LEU 19 1HD2 LEU 19 12.313 6.864 -5.665 154 HD23 LEU 19 2HD2 LEU 19 12.572 5.506 -4.570 155 H SER 20 H SER 20 9.679 4.540 -1.785 156 HA SER 20 HA SER 20 6.768 4.167 -1.982 157 HB2 SER 20 2HB SER 20 7.590 2.367 -0.024 158 HB3 SER 20 3HB SER 20 7.071 1.963 -1.660 159 HG SER 20 HG SER 20 9.190 1.944 -2.317 160 H GLU 21 H GLU 21 5.764 4.054 0.268 161 HA GLU 21 HA GLU 21 6.321 6.440 1.637 162 HB2 GLU 21 2HB GLU 21 4.840 4.091 2.810 163 HB3 GLU 21 3HB GLU 21 4.625 5.796 3.180 164 HG2 GLU 21 2HG GLU 21 3.837 6.120 0.832 165 HG3 GLU 21 3HG GLU 21 3.872 4.368 0.645 166 H ASP 22 H ASP 22 7.659 3.287 1.923 167 HA ASP 22 HA ASP 22 8.560 3.463 4.615 168 HB2 ASP 22 2HB ASP 22 8.315 1.354 3.193 169 HB3 ASP 22 3HB ASP 22 9.845 1.807 2.447 170 H ASP 23 H ASP 23 9.500 5.070 1.827 171 HA ASP 23 HA ASP 23 12.261 5.448 2.735 172 HB2 ASP 23 2HB ASP 23 11.049 6.557 0.207 173 HB3 ASP 23 3HB ASP 23 12.752 6.300 0.577 174 H THR 24 H THR 24 12.395 8.038 1.319 175 HA THR 24 HA THR 24 10.810 9.732 3.123 176 HB THR 24 HB THR 24 13.151 11.151 2.884 177 HG1 THR 24 HG1 THR 24 14.798 9.814 2.802 178 HG21 THR 24 3HG2 THR 24 13.216 11.017 5.170 179 HG22 THR 24 1HG2 THR 24 12.888 9.285 5.188 180 HG23 THR 24 2HG2 THR 24 11.578 10.428 4.891 181 H VAL 25 H VAL 25 10.945 12.087 2.437 182 HA VAL 25 HA VAL 25 10.088 12.321 -0.240 183 HB VAL 25 HB VAL 25 11.023 14.609 1.487 184 HG11 VAL 25 1HG1 VAL 25 10.399 15.779 -0.303 185 HG12 VAL 25 2HG1 VAL 25 9.674 14.362 -1.066 186 HG13 VAL 25 3HG1 VAL 25 8.741 15.320 0.085 187 HG21 VAL 25 3HG2 VAL 25 8.367 14.561 1.906 188 HG22 VAL 25 1HG2 VAL 25 8.686 12.831 1.773 189 HG23 VAL 25 2HG2 VAL 25 9.535 13.794 2.982 190 H LEU 26 H LEU 26 13.131 13.172 1.362 191 HA LEU 26 HA LEU 26 14.365 14.431 -0.818 192 HB2 LEU 26 2HB LEU 26 16.177 14.567 0.508 193 HB3 LEU 26 3HB LEU 26 15.031 14.064 1.749 194 HG LEU 26 HG LEU 26 15.867 11.655 1.025 195 HD11 LEU 26 1HD1 LEU 26 17.386 12.970 -0.690 196 HD12 LEU 26 2HD1 LEU 26 17.950 11.506 0.113 197 HD13 LEU 26 3HD1 LEU 26 18.450 13.087 0.712 198 HD21 LEU 26 3HD2 LEU 26 17.590 13.400 2.770 199 HD22 LEU 26 1HD2 LEU 26 17.298 11.666 2.913 200 HD23 LEU 26 2HD2 LEU 26 16.001 12.811 3.260 201 H ASP 27 H ASP 27 13.896 11.073 -0.048 202 HA ASP 27 HA ASP 27 15.870 10.026 -1.812 203 HB2 ASP 27 2HB ASP 27 14.657 8.861 0.161 204 HB3 ASP 27 3HB ASP 27 13.382 8.539 -1.012 205 H LEU 28 H LEU 28 12.487 10.902 -2.146 206 HA LEU 28 HA LEU 28 12.250 9.770 -4.786 207 HB2 LEU 28 2HB LEU 28 10.406 10.142 -3.001 208 HB3 LEU 28 3HB LEU 28 10.365 11.788 -3.630 209 HG LEU 28 HG LEU 28 10.162 9.738 -5.704 210 HD11 LEU 28 1HD1 LEU 28 8.908 8.906 -3.522 211 HD12 LEU 28 2HD1 LEU 28 8.220 8.704 -5.132 212 HD13 LEU 28 3HD1 LEU 28 7.682 10.032 -4.105 213 HD21 LEU 28 3HD2 LEU 28 8.896 11.309 -6.717 214 HD22 LEU 28 1HD2 LEU 28 9.662 12.374 -5.537 215 HD23 LEU 28 2HD2 LEU 28 8.046 11.738 -5.232 216 H LYS 29 H LYS 29 12.428 13.045 -3.418 217 HA LYS 29 HA LYS 29 12.308 14.436 -5.854 218 HB2 LYS 29 2HB LYS 29 13.098 15.056 -3.074 219 HB3 LYS 29 3HB LYS 29 13.784 16.104 -4.309 220 HG2 LYS 29 2HG LYS 29 11.883 17.257 -3.913 221 HG3 LYS 29 3HG LYS 29 11.250 16.136 -5.121 222 HD2 LYS 29 2HD LYS 29 11.194 15.229 -2.304 223 HD3 LYS 29 3HD LYS 29 10.088 16.534 -2.738 224 HE2 LYS 29 2HE LYS 29 10.075 14.444 -4.731 225 HE3 LYS 29 3HE LYS 29 9.713 13.797 -3.131 226 HZ1 LYS 29 3HZ LYS 29 7.814 14.722 -4.600 227 HZ2 LYS 29 1HZ LYS 29 8.348 16.233 -4.057 228 HZ3 LYS 29 2HZ LYS 29 7.826 15.071 -2.945 229 H GLN 30 H GLN 30 15.162 13.664 -3.855 230 HA GLN 30 HA GLN 30 17.086 14.583 -5.654 231 HB2 GLN 30 2HB GLN 30 18.654 13.644 -4.253 232 HB3 GLN 30 3HB GLN 30 17.273 13.750 -3.171 233 HG2 GLN 30 2HG GLN 30 17.840 11.615 -2.739 234 HG3 GLN 30 3HG GLN 30 16.839 11.312 -4.158 235 HE21 GLN 30 1HE2 GLN 30 17.969 9.395 -4.570 236 HE22 GLN 30 2HE2 GLN 30 19.554 9.407 -5.256 237 H PHE 31 H PHE 31 15.148 11.745 -5.719 238 HA PHE 31 HA PHE 31 16.865 10.219 -7.440 239 HB2 PHE 31 2HB PHE 31 15.381 8.967 -6.063 240 HB3 PHE 31 3HB PHE 31 13.988 9.907 -6.588 241 HD1 PHE 31 HD2 PHE 31 16.402 7.312 -7.566 242 HD2 PHE 31 HD1 PHE 31 12.836 9.391 -8.606 243 HE1 PHE 31 HE2 PHE 31 15.945 5.646 -9.317 244 HE2 PHE 31 HE1 PHE 31 12.373 7.727 -10.358 245 HZ PHE 31 HZ PHE 31 13.929 5.852 -10.716 246 H LEU 32 H LEU 32 13.741 11.869 -7.921 247 HA LEU 32 HA LEU 32 13.740 11.530 -10.736 248 HB2 LEU 32 2HB LEU 32 11.953 13.287 -10.674 249 HB3 LEU 32 3HB LEU 32 11.659 11.867 -9.672 250 HG LEU 32 HG LEU 32 12.771 13.495 -7.842 251 HD11 LEU 32 1HD1 LEU 32 11.969 15.200 -10.067 252 HD12 LEU 32 2HD1 LEU 32 12.996 15.552 -8.678 253 HD13 LEU 32 3HD1 LEU 32 11.242 15.660 -8.527 254 HD21 LEU 32 3HD2 LEU 32 9.925 13.167 -8.726 255 HD22 LEU 32 1HD2 LEU 32 10.342 14.156 -7.327 256 HD23 LEU 32 2HD2 LEU 32 10.752 12.441 -7.347 257 H LYS 33 H LYS 33 14.673 14.210 -8.619 258 HA LYS 33 HA LYS 33 15.168 16.155 -10.536 259 HB2 LYS 33 2HB LYS 33 15.556 17.231 -8.615 260 HB3 LYS 33 3HB LYS 33 15.811 15.717 -7.756 261 HG2 LYS 33 2HG LYS 33 17.972 16.875 -9.469 262 HG3 LYS 33 3HG LYS 33 17.708 17.460 -7.825 263 HD2 LYS 33 2HD LYS 33 18.504 15.566 -6.885 264 HD3 LYS 33 3HD LYS 33 17.808 14.531 -8.134 265 HE2 LYS 33 2HE LYS 33 19.968 14.274 -8.736 266 HE3 LYS 33 3HE LYS 33 19.693 15.800 -9.575 267 HZ1 LYS 33 3HZ LYS 33 20.420 16.790 -7.294 268 HZ2 LYS 33 1HZ LYS 33 21.584 16.265 -8.404 269 HZ3 LYS 33 2HZ LYS 33 21.167 15.286 -7.090 270 H THR 34 H THR 34 16.989 13.318 -9.721 271 HA THR 34 HA THR 34 19.409 14.171 -11.028 272 HB THR 34 HB THR 34 18.889 12.244 -9.168 273 HG1 THR 34 HG1 THR 34 21.053 11.888 -9.330 274 HG21 THR 34 3HG2 THR 34 17.909 10.858 -11.069 275 HG22 THR 34 1HG2 THR 34 19.143 10.081 -10.079 276 HG23 THR 34 2HG2 THR 34 19.561 10.714 -11.671 277 H LEU 35 H LEU 35 16.474 12.603 -11.951 278 HA LEU 35 HA LEU 35 17.503 11.369 -14.326 279 HB2 LEU 35 2HB LEU 35 14.622 12.042 -13.848 280 HB3 LEU 35 3HB LEU 35 15.303 10.706 -14.774 281 HG LEU 35 HG LEU 35 15.339 10.968 -11.767 282 HD11 LEU 35 1HD1 LEU 35 13.450 9.775 -11.675 283 HD12 LEU 35 2HD1 LEU 35 13.933 8.727 -13.008 284 HD13 LEU 35 3HD1 LEU 35 13.211 10.301 -13.342 285 HD21 LEU 35 3HD2 LEU 35 16.296 8.784 -11.723 286 HD22 LEU 35 1HD2 LEU 35 17.288 9.777 -12.791 287 HD23 LEU 35 2HD2 LEU 35 16.146 8.619 -13.473 288 H THR 36 H THR 36 15.219 14.068 -13.836 289 HA THR 36 HA THR 36 16.368 15.372 -16.204 290 HB THR 36 HB THR 36 14.383 14.376 -17.076 291 HG1 THR 36 HG1 THR 36 14.731 16.645 -17.559 292 HG21 THR 36 3HG2 THR 36 13.394 14.743 -14.434 293 HG22 THR 36 1HG2 THR 36 12.664 13.845 -15.765 294 HG23 THR 36 2HG2 THR 36 12.298 15.557 -15.550 295 H GLY 37 H GLY 37 14.782 15.588 -13.115 296 HA2 GLY 37 2HA GLY 37 14.271 18.359 -13.060 297 HA3 GLY 37 3HA GLY 37 14.488 17.331 -11.651 298 H VAL 38 H VAL 38 15.411 19.644 -11.132 299 HA VAL 38 HA VAL 38 18.286 19.641 -11.780 300 HB VAL 38 HB VAL 38 17.490 21.689 -12.557 301 HG11 VAL 38 1HG1 VAL 38 16.090 23.062 -10.676 302 HG12 VAL 38 2HG1 VAL 38 15.362 22.117 -11.977 303 HG13 VAL 38 3HG1 VAL 38 15.552 21.410 -10.372 304 HG21 VAL 38 3HG2 VAL 38 18.334 22.249 -9.715 305 HG22 VAL 38 1HG2 VAL 38 19.428 21.935 -11.063 306 HG23 VAL 38 2HG2 VAL 38 18.409 23.375 -11.070 307 H LEU 39 H LEU 39 19.773 19.664 -10.160 308 HA LEU 39 HA LEU 39 19.163 18.590 -7.678 309 HB2 LEU 39 2HB LEU 39 21.451 19.680 -7.045 310 HB3 LEU 39 3HB LEU 39 21.374 18.358 -8.208 311 HG LEU 39 HG LEU 39 22.903 20.341 -8.736 312 HD11 LEU 39 1HD1 LEU 39 22.869 19.440 -10.760 313 HD12 LEU 39 2HD1 LEU 39 21.325 20.213 -11.116 314 HD13 LEU 39 3HD1 LEU 39 21.359 18.627 -10.347 315 HD21 LEU 39 3HD2 LEU 39 21.787 22.216 -9.880 316 HD22 LEU 39 1HD2 LEU 39 21.378 22.132 -8.166 317 HD23 LEU 39 2HD2 LEU 39 20.224 21.571 -9.376 318 HA PRO 40 HA PRO 40 17.620 21.884 -5.216 319 HB2 PRO 40 2HB PRO 40 18.501 21.122 -2.763 320 HB3 PRO 40 3HB PRO 40 17.182 20.302 -3.608 321 HG2 PRO 40 2HG PRO 40 20.066 19.528 -3.397 322 HG3 PRO 40 3HG PRO 40 18.621 18.508 -3.267 323 HD2 PRO 40 2HD PRO 40 20.111 18.644 -5.524 324 HD3 PRO 40 3HD PRO 40 18.356 18.375 -5.553 325 H GLU 41 H GLU 41 21.019 21.159 -5.262 326 HA GLU 41 HA GLU 41 22.055 23.126 -3.606 327 HB2 GLU 41 2HB GLU 41 23.464 21.414 -4.583 328 HB3 GLU 41 3HB GLU 41 23.161 22.038 -6.199 329 HG2 GLU 41 2HG GLU 41 24.629 23.738 -5.972 330 HG3 GLU 41 3HG GLU 41 24.309 23.933 -4.249 331 H ARG 42 H ARG 42 20.950 23.354 -6.947 332 HA ARG 42 HA ARG 42 21.500 26.240 -6.918 333 HB2 ARG 42 2HB ARG 42 21.237 24.199 -9.077 334 HB3 ARG 42 3HB ARG 42 20.776 25.856 -9.444 335 HG2 ARG 42 2HG ARG 42 22.895 26.520 -9.581 336 HG3 ARG 42 3HG ARG 42 23.338 25.691 -8.088 337 HD2 ARG 42 2HD ARG 42 22.807 23.883 -10.319 338 HD3 ARG 42 3HD ARG 42 24.148 24.989 -10.613 339 HE ARG 42 HE ARG 42 24.118 22.769 -8.822 340 HH11 ARG 42 1HH1 ARG 42 25.457 25.941 -9.336 341 HH12 ARG 42 2HH1 ARG 42 26.880 25.634 -8.397 342 HH21 ARG 42 1HH2 ARG 42 25.987 22.353 -7.583 343 HH22 ARG 42 2HH2 ARG 42 27.181 23.593 -7.401 344 H GLN 43 H GLN 43 18.946 23.865 -7.486 345 HA GLN 43 HA GLN 43 16.966 26.013 -7.660 346 HB2 GLN 43 2HB GLN 43 15.556 24.533 -8.724 347 HB3 GLN 43 3HB GLN 43 17.123 23.913 -9.228 348 HG2 GLN 43 2HG GLN 43 16.083 21.980 -8.616 349 HG3 GLN 43 3HG GLN 43 16.875 22.412 -7.101 350 HE21 GLN 43 1HE2 GLN 43 15.207 20.960 -6.236 351 HE22 GLN 43 2HE2 GLN 43 13.658 21.623 -5.852 352 H LYS 44 H LYS 44 14.984 25.857 -6.408 353 HA LYS 44 HA LYS 44 15.323 24.426 -3.858 354 HB2 LYS 44 2HB LYS 44 14.337 26.356 -2.690 355 HB3 LYS 44 3HB LYS 44 15.848 26.774 -3.488 356 HG2 LYS 44 2HG LYS 44 14.574 28.570 -4.069 357 HG3 LYS 44 3HG LYS 44 14.238 27.502 -5.435 358 HD2 LYS 44 2HD LYS 44 12.077 27.323 -4.887 359 HD3 LYS 44 3HD LYS 44 12.448 27.049 -3.184 360 HE2 LYS 44 2HE LYS 44 11.292 29.046 -3.109 361 HE3 LYS 44 3HE LYS 44 12.966 29.595 -3.159 362 HZ1 LYS 44 3HZ LYS 44 11.039 30.464 -4.804 363 HZ2 LYS 44 1HZ LYS 44 11.729 29.240 -5.747 364 HZ3 LYS 44 2HZ LYS 44 12.690 30.507 -5.171 365 H LEU 45 H LEU 45 13.500 23.528 -2.972 366 HA LEU 45 HA LEU 45 11.352 22.938 -4.719 367 HB2 LEU 45 2HB LEU 45 11.826 22.468 -1.793 368 HB3 LEU 45 3HB LEU 45 10.317 21.999 -2.573 369 HG LEU 45 HG LEU 45 11.722 20.071 -2.412 370 HD11 LEU 45 1HD1 LEU 45 12.298 20.408 -5.208 371 HD12 LEU 45 2HD1 LEU 45 10.709 21.065 -4.819 372 HD13 LEU 45 3HD1 LEU 45 11.090 19.389 -4.425 373 HD21 LEU 45 3HD2 LEU 45 13.830 21.600 -3.931 374 HD22 LEU 45 1HD2 LEU 45 13.947 19.954 -3.307 375 HD23 LEU 45 2HD2 LEU 45 13.860 21.316 -2.190 376 H LEU 46 H LEU 46 9.353 23.794 -4.917 377 HA LEU 46 HA LEU 46 8.881 26.398 -3.810 378 HB2 LEU 46 2HB LEU 46 7.358 24.578 -5.639 379 HB3 LEU 46 3HB LEU 46 6.616 26.042 -4.997 380 HG LEU 46 HG LEU 46 7.440 26.470 -7.215 381 HD11 LEU 46 1HD1 LEU 46 8.473 28.467 -6.785 382 HD12 LEU 46 2HD1 LEU 46 9.509 27.790 -5.529 383 HD13 LEU 46 3HD1 LEU 46 7.806 28.103 -5.193 384 HD21 LEU 46 3HD2 LEU 46 9.389 25.737 -8.045 385 HD22 LEU 46 1HD2 LEU 46 9.386 24.646 -6.659 386 HD23 LEU 46 2HD2 LEU 46 10.285 26.161 -6.585 387 H GLY 47 H GLY 47 6.587 23.681 -3.891 388 HA2 GLY 47 2HA GLY 47 5.604 24.519 -1.264 389 HA3 GLY 47 3HA GLY 47 4.785 23.435 -2.379 390 H LEU 48 H LEU 48 7.956 23.493 -0.742 391 HA LEU 48 HA LEU 48 8.349 20.775 -0.563 392 HB2 LEU 48 2HB LEU 48 9.773 21.268 1.405 393 HB3 LEU 48 3HB LEU 48 10.097 22.294 0.010 394 HG LEU 48 HG LEU 48 8.452 23.930 1.286 395 HD11 LEU 48 1HD1 LEU 48 7.820 23.045 3.245 396 HD12 LEU 48 2HD1 LEU 48 9.422 23.537 3.793 397 HD13 LEU 48 3HD1 LEU 48 9.143 21.879 3.262 398 HD21 LEU 48 3HD2 LEU 48 11.367 23.481 1.901 399 HD22 LEU 48 1HD2 LEU 48 10.465 24.916 2.386 400 HD23 LEU 48 2HD2 LEU 48 10.678 24.546 0.675 401 H LYS 49 H LYS 49 6.322 22.829 1.412 402 HA LYS 49 HA LYS 49 5.704 20.615 3.218 403 HB2 LYS 49 2HB LYS 49 5.645 22.300 4.689 404 HB3 LYS 49 3HB LYS 49 5.666 23.504 3.407 405 HG2 LYS 49 2HG LYS 49 3.291 23.442 3.208 406 HG3 LYS 49 3HG LYS 49 3.184 22.053 4.292 407 HD2 LYS 49 2HD LYS 49 2.763 23.612 5.861 408 HD3 LYS 49 3HD LYS 49 4.515 23.824 5.855 409 HE2 LYS 49 2HE LYS 49 4.210 25.588 4.109 410 HE3 LYS 49 3HE LYS 49 2.469 25.445 4.346 411 HZ1 LYS 49 3HZ LYS 49 4.492 26.349 6.315 412 HZ2 LYS 49 1HZ LYS 49 2.900 25.967 6.740 413 HZ3 LYS 49 2HZ LYS 49 3.207 27.239 5.669 414 H VAL 50 H VAL 50 3.638 19.768 3.470 415 HA VAL 50 HA VAL 50 1.555 20.651 1.616 416 HB VAL 50 HB VAL 50 2.833 18.804 0.511 417 HG11 VAL 50 1HG1 VAL 50 3.236 17.620 2.738 418 HG12 VAL 50 2HG1 VAL 50 1.604 16.976 2.552 419 HG13 VAL 50 3HG1 VAL 50 2.839 16.614 1.346 420 HG21 VAL 50 3HG2 VAL 50 0.036 19.133 0.817 421 HG22 VAL 50 1HG2 VAL 50 0.917 18.457 -0.553 422 HG23 VAL 50 2HG2 VAL 50 0.367 17.402 0.749 423 H LYS 51 H LYS 51 -0.481 20.452 2.402 424 HA LYS 51 HA LYS 51 -2.131 20.244 3.958 425 HB2 LYS 51 2HB LYS 51 -0.705 17.655 4.599 426 HB3 LYS 51 3HB LYS 51 -2.370 18.050 5.007 427 HG2 LYS 51 2HG LYS 51 -2.028 18.414 2.210 428 HG3 LYS 51 3HG LYS 51 -1.368 16.839 2.657 429 HD2 LYS 51 2HD LYS 51 -4.115 17.839 3.406 430 HD3 LYS 51 3HD LYS 51 -3.768 16.749 2.061 431 HE2 LYS 51 2HE LYS 51 -2.520 15.493 4.134 432 HE3 LYS 51 3HE LYS 51 -3.910 16.216 4.942 433 HZ1 LYS 51 3HZ LYS 51 -5.388 15.013 3.657 434 HZ2 LYS 51 1HZ LYS 51 -4.149 13.891 3.920 435 HZ3 LYS 51 2HZ LYS 51 -4.257 14.699 2.438 436 H GLY 52 H GLY 52 0.285 21.650 4.745 437 HA2 GLY 52 2HA GLY 52 0.721 22.824 6.725 438 HA3 GLY 52 3HA GLY 52 -0.178 21.607 7.619 439 H LYS 53 H LYS 53 1.557 19.608 5.973 440 HA LYS 53 HA LYS 53 3.551 19.304 8.031 441 HB2 LYS 53 2HB LYS 53 2.903 17.714 5.549 442 HB3 LYS 53 3HB LYS 53 4.217 17.294 6.640 443 HG2 LYS 53 2HG LYS 53 1.312 17.481 7.412 444 HG3 LYS 53 3HG LYS 53 2.186 15.988 7.064 445 HD2 LYS 53 2HD LYS 53 3.767 17.291 8.939 446 HD3 LYS 53 3HD LYS 53 2.113 17.572 9.491 447 HE2 LYS 53 2HE LYS 53 1.658 15.240 9.571 448 HE3 LYS 53 3HE LYS 53 3.155 14.854 8.723 449 HZ1 LYS 53 3HZ LYS 53 3.004 14.614 11.292 450 HZ2 LYS 53 1HZ LYS 53 3.295 16.281 11.285 451 HZ3 LYS 53 2HZ LYS 53 4.413 15.224 10.582 452 HA PRO 54 HA PRO 54 6.918 21.328 6.063 453 HB2 PRO 54 2HB PRO 54 8.995 19.886 7.050 454 HB3 PRO 54 3HB PRO 54 8.070 21.032 8.028 455 HG2 PRO 54 2HG PRO 54 7.832 18.052 7.871 456 HG3 PRO 54 3HG PRO 54 7.799 19.104 9.299 457 HD2 PRO 54 2HD PRO 54 5.548 18.096 8.179 458 HD3 PRO 54 3HD PRO 54 5.590 19.681 8.978 459 H ALA 55 H ALA 55 6.837 17.792 5.880 460 HA ALA 55 HA ALA 55 7.746 16.332 4.350 461 HB1 ALA 55 1HB ALA 55 7.049 17.155 1.943 462 HB2 ALA 55 2HB ALA 55 5.845 16.621 3.117 463 HB3 ALA 55 3HB ALA 55 6.132 18.344 2.869 464 H GLU 56 H GLU 56 9.680 18.217 5.243 465 HA GLU 56 HA GLU 56 11.107 19.401 3.113 466 HB2 GLU 56 2HB GLU 56 11.480 20.138 5.380 467 HB3 GLU 56 3HB GLU 56 12.002 18.530 5.864 468 HG2 GLU 56 2HG GLU 56 14.091 19.021 5.349 469 HG3 GLU 56 3HG GLU 56 13.622 19.393 3.691 470 H ASN 57 H ASN 57 12.397 16.761 5.106 471 HA ASN 57 HA ASN 57 12.916 15.123 2.777 472 HB2 ASN 57 2HB ASN 57 15.421 15.011 3.615 473 HB3 ASN 57 3HB ASN 57 14.902 16.255 2.481 474 HD21 ASN 57 1HD2 ASN 57 16.061 17.985 2.967 475 HD22 ASN 57 2HD2 ASN 57 16.215 18.684 4.539 476 H ASP 58 H ASP 58 13.342 15.659 6.235 477 HA ASP 58 HA ASP 58 13.916 12.937 6.861 478 HB2 ASP 58 2HB ASP 58 14.561 14.853 8.312 479 HB3 ASP 58 3HB ASP 58 12.858 15.108 8.684 480 H VAL 59 H VAL 59 11.163 14.314 5.721 481 HA VAL 59 HA VAL 59 9.310 12.737 7.331 482 HB VAL 59 HB VAL 59 8.343 14.240 4.962 483 HG11 VAL 59 1HG1 VAL 59 6.585 14.884 6.633 484 HG12 VAL 59 2HG1 VAL 59 6.722 13.151 6.327 485 HG13 VAL 59 3HG1 VAL 59 7.406 13.845 7.797 486 HG21 VAL 59 3HG2 VAL 59 9.831 15.903 5.639 487 HG22 VAL 59 1HG2 VAL 59 8.332 16.330 6.464 488 HG23 VAL 59 2HG2 VAL 59 9.627 15.524 7.349 489 H LYS 60 H LYS 60 7.975 11.128 6.487 490 HA LYS 60 HA LYS 60 9.092 9.741 4.181 491 HB2 LYS 60 2HB LYS 60 7.135 8.952 6.331 492 HB3 LYS 60 3HB LYS 60 7.416 7.947 4.916 493 HG2 LYS 60 2HG LYS 60 9.953 8.339 5.723 494 HG3 LYS 60 3HG LYS 60 9.112 8.419 7.274 495 HD2 LYS 60 2HD LYS 60 7.921 6.257 6.381 496 HD3 LYS 60 3HD LYS 60 9.351 6.148 5.352 497 HE2 LYS 60 2HE LYS 60 9.860 4.887 7.273 498 HE3 LYS 60 3HE LYS 60 10.717 6.414 7.473 499 HZ1 LYS 60 3HZ LYS 60 9.484 5.559 9.475 500 HZ2 LYS 60 1HZ LYS 60 8.048 5.925 8.657 501 HZ3 LYS 60 2HZ LYS 60 9.144 7.156 9.033 502 H LEU 61 H LEU 61 7.885 9.109 2.379 503 HA LEU 61 HA LEU 61 6.138 10.953 1.294 504 HB2 LEU 61 2HB LEU 61 6.048 8.037 0.589 505 HB3 LEU 61 3HB LEU 61 5.758 9.425 -0.457 506 HG LEU 61 HG LEU 61 8.432 8.593 0.671 507 HD11 LEU 61 1HD1 LEU 61 8.984 7.864 -1.520 508 HD12 LEU 61 2HD1 LEU 61 7.482 8.505 -2.184 509 HD13 LEU 61 3HD1 LEU 61 7.444 7.114 -1.100 510 HD21 LEU 61 3HD2 LEU 61 8.302 10.996 0.405 511 HD22 LEU 61 1HD2 LEU 61 7.675 10.807 -1.233 512 HD23 LEU 61 2HD2 LEU 61 9.324 10.307 -0.858 513 H GLY 62 H GLY 62 5.423 8.047 3.165 514 HA2 GLY 62 2HA GLY 62 2.585 8.228 2.788 515 HA3 GLY 62 3HA GLY 62 3.421 7.190 3.934 516 H ALA 63 H ALA 63 4.814 9.803 4.847 517 HA ALA 63 HA ALA 63 2.895 10.357 6.942 518 HB1 ALA 63 1HB ALA 63 5.254 10.063 7.500 519 HB2 ALA 63 2HB ALA 63 5.668 11.460 6.504 520 HB3 ALA 63 3HB ALA 63 4.685 11.670 7.954 521 H LEU 64 H LEU 64 3.859 11.746 3.961 522 HA LEU 64 HA LEU 64 2.979 14.423 4.616 523 HB2 LEU 64 2HB LEU 64 3.332 13.672 1.792 524 HB3 LEU 64 3HB LEU 64 3.934 15.071 2.678 525 HG LEU 64 HG LEU 64 5.135 12.304 2.760 526 HD11 LEU 64 1HD1 LEU 64 6.770 13.018 1.283 527 HD12 LEU 64 2HD1 LEU 64 6.403 14.724 1.540 528 HD13 LEU 64 3HD1 LEU 64 5.299 13.716 0.603 529 HD21 LEU 64 3HD2 LEU 64 6.375 14.840 3.772 530 HD22 LEU 64 1HD2 LEU 64 6.816 13.169 4.126 531 HD23 LEU 64 2HD2 LEU 64 5.335 13.851 4.798 532 H LYS 65 H LYS 65 1.591 11.526 3.446 533 HA LYS 65 HA LYS 65 -0.459 10.978 2.614 534 HB2 LYS 65 2HB LYS 65 -1.359 13.504 4.005 535 HB3 LYS 65 3HB LYS 65 -2.344 12.100 3.617 536 HG2 LYS 65 2HG LYS 65 -0.032 12.113 5.547 537 HG3 LYS 65 3HG LYS 65 -1.738 12.207 5.992 538 HD2 LYS 65 2HD LYS 65 -2.147 10.021 5.049 539 HD3 LYS 65 3HD LYS 65 -0.490 9.936 4.445 540 HE2 LYS 65 2HE LYS 65 0.308 10.074 6.796 541 HE3 LYS 65 3HE LYS 65 -1.371 10.001 7.329 542 HZ1 LYS 65 3HZ LYS 65 -0.630 7.898 5.506 543 HZ2 LYS 65 1HZ LYS 65 -1.461 7.812 6.977 544 HZ3 LYS 65 2HZ LYS 65 0.229 7.864 6.962 545 H LEU 66 H LEU 66 1.101 12.296 0.761 546 HA LEU 66 HA LEU 66 -0.610 14.284 -0.522 547 HB2 LEU 66 2HB LEU 66 2.213 13.645 -0.534 548 HB3 LEU 66 3HB LEU 66 1.577 13.795 -2.171 549 HG LEU 66 HG LEU 66 1.430 15.902 -0.016 550 HD11 LEU 66 1HD1 LEU 66 2.897 17.097 -1.771 551 HD12 LEU 66 2HD1 LEU 66 3.233 15.470 -2.364 552 HD13 LEU 66 3HD1 LEU 66 3.643 15.906 -0.705 553 HD21 LEU 66 3HD2 LEU 66 -0.252 16.734 -1.211 554 HD22 LEU 66 1HD2 LEU 66 -0.027 15.536 -2.486 555 HD23 LEU 66 2HD2 LEU 66 0.912 17.029 -2.503 556 H LYS 67 H LYS 67 -1.308 14.073 -2.697 557 HA LYS 67 HA LYS 67 -2.280 11.490 -3.352 558 HB2 LYS 67 2HB LYS 67 -2.461 14.209 -4.479 559 HB3 LYS 67 3HB LYS 67 -2.614 12.909 -5.654 560 HG2 LYS 67 2HG LYS 67 -4.716 12.584 -5.055 561 HG3 LYS 67 3HG LYS 67 -4.220 12.279 -3.389 562 HD2 LYS 67 2HD LYS 67 -4.059 14.901 -3.298 563 HD3 LYS 67 3HD LYS 67 -5.179 14.802 -4.659 564 HE2 LYS 67 2HE LYS 67 -6.523 14.976 -2.727 565 HE3 LYS 67 3HE LYS 67 -6.592 13.283 -3.211 566 HZ1 LYS 67 3HZ LYS 67 -5.905 14.261 -0.737 567 HZ2 LYS 67 1HZ LYS 67 -4.441 13.751 -1.413 568 HZ3 LYS 67 2HZ LYS 67 -5.732 12.667 -1.277 569 HA PRO 68 HA PRO 68 0.863 9.778 -5.890 570 HB2 PRO 68 2HB PRO 68 -0.570 8.593 -7.869 571 HB3 PRO 68 3HB PRO 68 -0.518 7.970 -6.215 572 HG2 PRO 68 2HG PRO 68 -2.614 9.645 -7.544 573 HG3 PRO 68 3HG PRO 68 -2.813 8.245 -6.473 574 HD2 PRO 68 2HD PRO 68 -3.098 10.794 -5.606 575 HD3 PRO 68 3HD PRO 68 -2.475 9.496 -4.567 576 H ASN 69 H ASN 69 -1.612 11.604 -7.656 577 HA ASN 69 HA ASN 69 0.086 12.043 -9.934 578 HB2 ASN 69 2HB ASN 69 -2.436 13.561 -9.269 579 HB3 ASN 69 3HB ASN 69 -1.726 13.279 -10.856 580 HD21 ASN 69 1HD2 ASN 69 -4.392 12.657 -9.635 581 HD22 ASN 69 2HD2 ASN 69 -4.633 10.977 -9.956 582 H THR 70 H THR 70 -0.268 13.473 -6.880 583 HA THR 70 HA THR 70 0.019 16.110 -6.992 584 HB THR 70 HB THR 70 1.864 14.270 -5.459 585 HG1 THR 70 HG1 THR 70 -0.578 15.589 -4.813 586 HG21 THR 70 3HG2 THR 70 1.423 17.243 -5.262 587 HG22 THR 70 1HG2 THR 70 2.945 16.380 -5.478 588 HG23 THR 70 2HG2 THR 70 2.089 16.287 -3.938 589 H LYS 71 H LYS 71 1.202 17.582 -8.020 590 HA LYS 71 HA LYS 71 3.550 16.692 -9.522 591 HB2 LYS 71 2HB LYS 71 2.221 19.390 -9.705 592 HB3 LYS 71 3HB LYS 71 3.270 18.616 -10.885 593 HG2 LYS 71 2HG LYS 71 1.423 17.973 -11.930 594 HG3 LYS 71 3HG LYS 71 1.169 16.840 -10.601 595 HD2 LYS 71 2HD LYS 71 -0.178 18.471 -9.424 596 HD3 LYS 71 3HD LYS 71 0.150 19.681 -10.667 597 HE2 LYS 71 2HE LYS 71 -1.087 17.070 -11.429 598 HE3 LYS 71 3HE LYS 71 -2.085 18.325 -10.697 599 HZ1 LYS 71 3HZ LYS 71 -0.623 19.601 -12.642 600 HZ2 LYS 71 1HZ LYS 71 -2.262 19.188 -12.717 601 HZ3 LYS 71 2HZ LYS 71 -1.097 18.142 -13.355 602 H ILE 72 H ILE 72 5.557 17.679 -9.355 603 HA ILE 72 HA ILE 72 5.925 19.360 -6.961 604 HB ILE 72 HB ILE 72 7.931 17.474 -8.204 605 HG12 ILE 72 2HG1 ILE 72 6.138 16.226 -7.136 606 HG13 ILE 72 3HG1 ILE 72 7.591 16.131 -6.148 607 HG21 ILE 72 1HG2 ILE 72 9.210 17.920 -6.120 608 HG22 ILE 72 2HG2 ILE 72 9.037 19.330 -7.163 609 HG23 ILE 72 3HG2 ILE 72 8.037 19.174 -5.719 610 HD11 ILE 72 3HD1 ILE 72 5.207 17.899 -5.658 611 HD12 ILE 72 1HD1 ILE 72 5.652 16.450 -4.756 612 HD13 ILE 72 2HD1 ILE 72 6.679 17.883 -4.687 613 H MET 73 H MET 73 6.752 21.328 -7.241 614 HA MET 73 HA MET 73 7.747 22.047 -9.902 615 HB2 MET 73 2HB MET 73 6.876 23.814 -7.607 616 HB3 MET 73 3HB MET 73 7.368 24.376 -9.199 617 HG2 MET 73 2HG MET 73 5.450 23.565 -10.219 618 HG3 MET 73 3HG MET 73 5.100 22.454 -8.897 619 HE1 MET 73 3HE MET 73 4.726 25.473 -10.618 620 HE2 MET 73 1HE MET 73 3.029 25.584 -10.150 621 HE3 MET 73 2HE MET 73 4.192 26.756 -9.531 622 H MET 74 H MET 74 9.747 22.946 -10.236 623 HA MET 74 HA MET 74 11.511 23.233 -7.905 624 HB2 MET 74 2HB MET 74 12.324 21.881 -10.482 625 HB3 MET 74 3HB MET 74 13.311 22.082 -9.040 626 HG2 MET 74 2HG MET 74 12.189 20.449 -7.876 627 HG3 MET 74 3HG MET 74 10.729 20.610 -8.850 628 HE1 MET 74 3HE MET 74 13.768 18.734 -8.052 629 HE2 MET 74 1HE MET 74 12.332 17.710 -8.043 630 HE3 MET 74 2HE MET 74 13.655 17.363 -9.156 631 H MET 75 H MET 75 12.271 25.235 -7.866 632 HA MET 75 HA MET 75 12.569 26.689 -10.403 633 HB2 MET 75 2HB MET 75 12.301 27.695 -7.566 634 HB3 MET 75 3HB MET 75 12.598 28.730 -8.957 635 HG2 MET 75 2HG MET 75 10.312 26.969 -9.317 636 HG3 MET 75 3HG MET 75 10.146 28.053 -7.938 637 HE1 MET 75 3HE MET 75 10.974 29.003 -12.238 638 HE2 MET 75 1HE MET 75 10.753 27.441 -11.449 639 HE3 MET 75 2HE MET 75 9.351 28.345 -12.023 640 H GLY 76 H GLY 76 14.546 27.043 -11.165 641 HA2 GLY 76 2HA GLY 76 16.738 28.048 -9.930 642 HA3 GLY 76 3HA GLY 76 16.857 26.329 -9.587 643 H THR 77 H THR 77 18.838 26.333 -10.787 644 HA THR 77 HA THR 77 18.367 26.125 -13.681 645 HB THR 77 HB THR 77 19.475 28.215 -13.517 646 HG1 THR 77 HG1 THR 77 20.770 27.555 -15.044 647 HG21 THR 77 3HG2 THR 77 20.589 28.709 -11.649 648 HG22 THR 77 1HG2 THR 77 21.933 27.753 -12.270 649 HG23 THR 77 2HG2 THR 77 20.732 27.006 -11.217 650 H ARG 78 H ARG 78 19.658 24.615 -14.777 651 HA ARG 78 HA ARG 78 20.360 22.319 -13.282 652 HB2 ARG 78 2HB ARG 78 20.554 23.143 -16.141 653 HB3 ARG 78 3HB ARG 78 21.510 21.764 -15.613 654 HG2 ARG 78 2HG ARG 78 19.690 20.566 -16.078 655 HG3 ARG 78 3HG ARG 78 19.063 21.192 -14.552 656 HD2 ARG 78 2HD ARG 78 17.351 21.922 -15.804 657 HD3 ARG 78 3HD ARG 78 18.455 23.222 -16.252 658 HE ARG 78 HE ARG 78 18.653 20.890 -17.926 659 HH11 ARG 78 1HH1 ARG 78 17.013 23.915 -17.396 660 HH12 ARG 78 2HH1 ARG 78 16.533 24.095 -19.051 661 HH21 ARG 78 1HH2 ARG 78 18.027 21.115 -20.108 662 HH22 ARG 78 2HH2 ARG 78 17.110 22.501 -20.593 663 H GLU 79 H GLU 79 22.425 21.321 -13.052 664 HA GLU 79 HA GLU 79 24.467 23.126 -12.250 665 HB2 GLU 79 2HB GLU 79 25.788 21.098 -11.792 666 HB3 GLU 79 3HB GLU 79 24.166 20.994 -11.120 667 HG2 GLU 79 2HG GLU 79 23.464 19.480 -12.778 668 HG3 GLU 79 3HG GLU 79 24.881 19.798 -13.777 669 H GLU 80 H GLU 80 26.850 22.215 -13.006 670 HA GLU 80 HA GLU 80 27.250 23.342 -15.538 671 HB2 GLU 80 2HB GLU 80 28.973 21.618 -13.774 672 HB3 GLU 80 3HB GLU 80 29.534 22.167 -15.347 673 HG2 GLU 80 2HG GLU 80 28.620 24.480 -14.199 674 HG3 GLU 80 3HG GLU 80 29.309 23.610 -12.830 675 H SER 81 H SER 81 26.668 20.045 -14.533 676 HA SER 81 HA SER 81 26.293 18.120 -15.687 677 HB2 SER 81 2HB SER 81 24.967 20.147 -17.075 678 HB3 SER 81 3HB SER 81 25.835 19.254 -18.323 679 HG SER 81 HG SER 81 24.406 17.743 -18.117 680 HN1 NH2 90 H1 NH2 90 28.530 17.320 -18.496 Start of MODEL 9 1 H1 MET 1 H MET 1 3.925 -1.015 0.233 2 HA MET 1 HA MET 1 4.203 -1.132 -2.081 3 HB2 MET 1 2HB MET 1 1.418 -0.209 -1.917 4 HB3 MET 1 3HB MET 1 2.301 0.409 -3.306 5 HG2 MET 1 2HG MET 1 3.000 -2.151 -3.492 6 HG3 MET 1 3HG MET 1 1.458 -2.349 -2.664 7 HE1 MET 1 3HE MET 1 -0.500 -3.049 -5.519 8 HE2 MET 1 1HE MET 1 -0.042 -3.251 -3.827 9 HE3 MET 1 2HE MET 1 -1.098 -1.921 -4.302 10 H ALA 2 H ALA 2 4.909 0.448 -3.719 11 HA ALA 2 HA ALA 2 6.100 2.736 -2.440 12 HB1 ALA 2 1HB ALA 2 6.614 1.153 -4.758 13 HB2 ALA 2 2HB ALA 2 6.533 2.852 -5.226 14 HB3 ALA 2 3HB ALA 2 7.657 2.336 -3.968 15 H LEU 3 H LEU 3 5.769 4.905 -2.936 16 HA LEU 3 HA LEU 3 3.183 5.484 -4.209 17 HB2 LEU 3 2HB LEU 3 4.350 6.322 -1.771 18 HB3 LEU 3 3HB LEU 3 4.246 7.736 -2.817 19 HG LEU 3 HG LEU 3 1.949 5.960 -1.995 20 HD11 LEU 3 1HD1 LEU 3 2.759 7.364 -0.179 21 HD12 LEU 3 2HD1 LEU 3 1.190 7.926 -0.755 22 HD13 LEU 3 3HD1 LEU 3 2.658 8.786 -1.218 23 HD21 LEU 3 3HD2 LEU 3 2.256 7.994 -4.087 24 HD22 LEU 3 1HD2 LEU 3 0.863 8.224 -3.030 25 HD23 LEU 3 2HD2 LEU 3 1.058 6.710 -3.914 26 HA PRO 4 HA PRO 4 5.762 7.181 -7.469 27 HB2 PRO 4 2HB PRO 4 3.703 7.636 -9.179 28 HB3 PRO 4 3HB PRO 4 4.423 6.038 -8.945 29 HG2 PRO 4 2HG PRO 4 1.921 7.179 -7.762 30 HG3 PRO 4 3HG PRO 4 2.205 5.562 -8.432 31 HD2 PRO 4 2HD PRO 4 2.206 6.057 -5.770 32 HD3 PRO 4 3HD PRO 4 3.228 4.808 -6.509 33 H ILE 5 H ILE 5 6.021 9.244 -8.427 34 HA ILE 5 HA ILE 5 4.214 11.383 -7.659 35 HB ILE 5 HB ILE 5 7.115 11.424 -6.818 36 HG12 ILE 5 2HG1 ILE 5 4.559 11.337 -5.200 37 HG13 ILE 5 3HG1 ILE 5 5.756 10.052 -5.330 38 HG21 ILE 5 1HG2 ILE 5 6.344 13.604 -7.597 39 HG22 ILE 5 2HG2 ILE 5 4.965 13.515 -6.502 40 HG23 ILE 5 3HG2 ILE 5 6.602 13.609 -5.853 41 HD11 ILE 5 3HD1 ILE 5 7.167 12.301 -4.470 42 HD12 ILE 5 1HD1 ILE 5 5.667 12.290 -3.542 43 HD13 ILE 5 2HD1 ILE 5 6.725 10.879 -3.525 44 H ILE 6 H ILE 6 4.184 13.017 -9.111 45 HA ILE 6 HA ILE 6 5.920 12.736 -11.445 46 HB ILE 6 HB ILE 6 3.332 14.184 -10.972 47 HG12 ILE 6 2HG1 ILE 6 3.670 12.603 -13.399 48 HG13 ILE 6 3HG1 ILE 6 3.971 11.663 -11.942 49 HG21 ILE 6 1HG2 ILE 6 4.574 15.793 -12.180 50 HG22 ILE 6 2HG2 ILE 6 5.271 14.568 -13.238 51 HG23 ILE 6 3HG2 ILE 6 3.558 14.970 -13.362 52 HD11 ILE 6 3HD1 ILE 6 1.505 12.319 -13.097 53 HD12 ILE 6 1HD1 ILE 6 1.802 11.478 -11.576 54 HD13 ILE 6 2HD1 ILE 6 1.610 13.232 -11.592 55 H VAL 7 H VAL 7 7.295 14.306 -12.164 56 HA VAL 7 HA VAL 7 7.550 16.728 -10.505 57 HB VAL 7 HB VAL 7 9.352 15.181 -9.928 58 HG11 VAL 7 1HG1 VAL 7 9.287 14.503 -12.617 59 HG12 VAL 7 2HG1 VAL 7 10.828 15.339 -12.413 60 HG13 VAL 7 3HG1 VAL 7 10.446 13.935 -11.415 61 HG21 VAL 7 3HG2 VAL 7 11.177 16.872 -11.195 62 HG22 VAL 7 1HG2 VAL 7 9.710 17.832 -10.999 63 HG23 VAL 7 2HG2 VAL 7 10.465 17.079 -9.594 64 H LYS 8 H LYS 8 7.373 18.539 -11.636 65 HA LYS 8 HA LYS 8 7.845 18.436 -14.540 66 HB2 LYS 8 2HB LYS 8 6.317 20.305 -14.746 67 HB3 LYS 8 3HB LYS 8 5.541 19.012 -13.840 68 HG2 LYS 8 2HG LYS 8 6.482 20.370 -11.781 69 HG3 LYS 8 3HG LYS 8 6.427 21.698 -12.942 70 HD2 LYS 8 2HD LYS 8 4.118 19.898 -12.205 71 HD3 LYS 8 3HD LYS 8 4.357 21.553 -11.640 72 HE2 LYS 8 2HE LYS 8 4.545 21.539 -14.477 73 HE3 LYS 8 3HE LYS 8 3.091 20.655 -14.017 74 HZ1 LYS 8 3HZ LYS 8 2.162 22.658 -13.846 75 HZ2 LYS 8 1HZ LYS 8 3.649 23.465 -13.854 76 HZ3 LYS 8 2HZ LYS 8 3.035 22.837 -12.408 77 H TRP 9 H TRP 9 9.581 19.444 -15.287 78 HA TRP 9 HA TRP 9 10.685 21.688 -13.727 79 HB2 TRP 9 2HB TRP 9 12.314 20.069 -13.404 80 HB3 TRP 9 3HB TRP 9 12.051 19.341 -14.987 81 HD1 TRP 9 HD1 TRP 9 14.016 19.734 -16.560 82 HE1 TRP 9 HE1 TRP 9 15.781 21.577 -16.901 83 HE3 TRP 9 HE3 TRP 9 12.507 22.989 -12.918 84 HZ2 TRP 9 HZ2 TRP 9 16.445 24.079 -15.775 85 HZ3 TRP 9 HZ3 TRP 9 13.761 25.084 -12.615 86 HH2 TRP 9 HH2 TRP 9 15.689 25.616 -14.014 87 H GLY 10 H GLY 10 10.040 23.430 -14.867 88 HA2 GLY 10 2HA GLY 10 10.413 24.998 -16.569 89 HA3 GLY 10 3HA GLY 10 11.099 23.722 -17.564 90 H GLY 11 H GLY 11 9.601 22.184 -18.552 91 HA2 GLY 11 2HA GLY 11 6.807 22.986 -18.678 92 HA3 GLY 11 3HA GLY 11 7.723 23.183 -20.164 93 H GLN 12 H GLN 12 8.683 20.584 -18.153 94 HA GLN 12 HA GLN 12 7.109 18.690 -19.762 95 HB2 GLN 12 2HB GLN 12 10.071 18.698 -19.247 96 HB3 GLN 12 3HB GLN 12 9.219 17.207 -19.625 97 HG2 GLN 12 2HG GLN 12 8.553 19.311 -21.489 98 HG3 GLN 12 3HG GLN 12 10.291 19.021 -21.423 99 HE21 GLN 12 1HE2 GLN 12 11.004 17.552 -22.777 100 HE22 GLN 12 2HE2 GLN 12 10.106 16.219 -23.408 101 H GLU 13 H GLU 13 6.315 16.937 -18.699 102 HA GLU 13 HA GLU 13 6.746 16.884 -15.796 103 HB2 GLU 13 2HB GLU 13 4.517 15.727 -17.479 104 HB3 GLU 13 3HB GLU 13 4.640 15.561 -15.733 105 HG2 GLU 13 2HG GLU 13 4.550 18.029 -15.541 106 HG3 GLU 13 3HG GLU 13 4.283 18.115 -17.281 107 H TYR 14 H TYR 14 7.355 15.039 -14.726 108 HA TYR 14 HA TYR 14 7.911 12.647 -16.332 109 HB2 TYR 14 2HB TYR 14 9.867 14.007 -14.470 110 HB3 TYR 14 3HB TYR 14 10.103 12.407 -15.165 111 HD1 TYR 14 HD1 TYR 14 9.776 16.001 -15.991 112 HD2 TYR 14 HD2 TYR 14 10.929 12.144 -17.368 113 HE1 TYR 14 HE1 TYR 14 10.804 17.024 -17.977 114 HE2 TYR 14 HE2 TYR 14 11.961 13.157 -19.358 115 HH TYR 14 HH TYR 14 12.959 15.520 -19.913 116 H SER 15 H SER 15 6.871 11.007 -15.438 117 HA SER 15 HA SER 15 6.028 11.099 -12.677 118 HB2 SER 15 2HB SER 15 5.175 8.700 -13.393 119 HB3 SER 15 3HB SER 15 4.352 10.154 -13.956 120 HG SER 15 HG SER 15 4.886 9.642 -15.914 121 H VAL 16 H VAL 16 6.912 10.060 -10.995 122 HA VAL 16 HA VAL 16 9.385 8.581 -11.455 123 HB VAL 16 HB VAL 16 8.141 9.561 -8.882 124 HG11 VAL 16 1HG1 VAL 16 10.665 9.114 -8.197 125 HG12 VAL 16 2HG1 VAL 16 9.429 7.860 -8.083 126 HG13 VAL 16 3HG1 VAL 16 10.527 7.895 -9.464 127 HG21 VAL 16 3HG2 VAL 16 9.744 10.851 -10.892 128 HG22 VAL 16 1HG2 VAL 16 9.002 11.531 -9.444 129 HG23 VAL 16 2HG2 VAL 16 10.606 10.802 -9.355 130 H THR 17 H THR 17 9.710 6.470 -10.900 131 HA THR 17 HA THR 17 7.640 4.983 -9.509 132 HB THR 17 HB THR 17 7.816 3.205 -11.431 133 HG1 THR 17 HG1 THR 17 8.468 3.952 -13.325 134 HG21 THR 17 3HG2 THR 17 6.099 5.394 -12.361 135 HG22 THR 17 1HG2 THR 17 5.905 4.994 -10.655 136 HG23 THR 17 2HG2 THR 17 5.679 3.749 -11.885 137 H THR 18 H THR 18 9.182 4.554 -7.934 138 HA THR 18 HA THR 18 10.652 2.227 -8.127 139 HB THR 18 HB THR 18 12.230 3.113 -9.614 140 HG1 THR 18 HG1 THR 18 14.110 3.185 -8.361 141 HG21 THR 18 3HG2 THR 18 12.086 5.346 -9.888 142 HG22 THR 18 1HG2 THR 18 13.365 5.402 -8.677 143 HG23 THR 18 2HG2 THR 18 11.684 5.629 -8.195 144 H LEU 19 H LEU 19 10.242 5.363 -6.676 145 HA LEU 19 HA LEU 19 11.534 4.586 -4.199 146 HB2 LEU 19 2HB LEU 19 10.601 7.046 -5.426 147 HB3 LEU 19 3HB LEU 19 10.140 6.933 -3.729 148 HG LEU 19 HG LEU 19 12.269 8.154 -4.137 149 HD11 LEU 19 1HD1 LEU 19 13.570 6.888 -2.409 150 HD12 LEU 19 2HD1 LEU 19 12.331 5.636 -2.489 151 HD13 LEU 19 3HD1 LEU 19 11.906 7.265 -1.963 152 HD21 LEU 19 3HD2 LEU 19 14.239 6.991 -4.812 153 HD22 LEU 19 1HD2 LEU 19 12.998 6.687 -6.028 154 HD23 LEU 19 2HD2 LEU 19 13.388 5.446 -4.837 155 H SER 20 H SER 20 10.476 4.421 -2.186 156 HA SER 20 HA SER 20 7.560 4.062 -2.307 157 HB2 SER 20 2HB SER 20 8.451 2.206 -0.423 158 HB3 SER 20 3HB SER 20 7.840 1.851 -2.038 159 HG SER 20 HG SER 20 10.012 1.030 -1.460 160 H GLU 21 H GLU 21 6.570 3.994 -0.094 161 HA GLU 21 HA GLU 21 7.194 6.302 1.337 162 HB2 GLU 21 2HB GLU 21 5.796 5.030 3.187 163 HB3 GLU 21 3HB GLU 21 5.034 5.648 1.728 164 HG2 GLU 21 2HG GLU 21 4.369 3.331 2.384 165 HG3 GLU 21 3HG GLU 21 4.974 3.502 0.738 166 H ASP 22 H ASP 22 8.582 3.173 1.480 167 HA ASP 22 HA ASP 22 9.527 3.204 4.149 168 HB2 ASP 22 2HB ASP 22 9.389 1.169 2.706 169 HB3 ASP 22 3HB ASP 22 10.751 1.785 1.776 170 H ASP 23 H ASP 23 10.397 5.020 1.443 171 HA ASP 23 HA ASP 23 13.100 5.536 2.462 172 HB2 ASP 23 2HB ASP 23 11.949 6.596 -0.114 173 HB3 ASP 23 3HB ASP 23 13.643 6.427 0.336 174 H THR 24 H THR 24 13.006 8.147 0.961 175 HA THR 24 HA THR 24 11.284 9.716 2.743 176 HB THR 24 HB THR 24 13.528 11.300 2.581 177 HG1 THR 24 HG1 THR 24 14.344 8.602 3.026 178 HG21 THR 24 3HG2 THR 24 11.923 10.334 4.534 179 HG22 THR 24 1HG2 THR 24 13.391 11.262 4.838 180 HG23 THR 24 2HG2 THR 24 13.429 9.500 4.914 181 H VAL 25 H VAL 25 11.226 12.057 2.057 182 HA VAL 25 HA VAL 25 10.450 12.245 -0.637 183 HB VAL 25 HB VAL 25 11.119 14.458 1.307 184 HG11 VAL 25 1HG1 VAL 25 11.201 15.454 -0.815 185 HG12 VAL 25 2HG1 VAL 25 9.846 14.494 -1.413 186 HG13 VAL 25 3HG1 VAL 25 9.568 15.774 -0.232 187 HG21 VAL 25 3HG2 VAL 25 8.603 14.593 1.457 188 HG22 VAL 25 1HG2 VAL 25 8.554 13.044 0.615 189 HG23 VAL 25 2HG2 VAL 25 9.337 13.167 2.190 190 H LEU 26 H LEU 26 13.385 13.339 1.028 191 HA LEU 26 HA LEU 26 14.587 14.634 -1.144 192 HB2 LEU 26 2HB LEU 26 16.345 14.924 0.228 193 HB3 LEU 26 3HB LEU 26 15.211 14.347 1.448 194 HG LEU 26 HG LEU 26 16.245 12.002 0.774 195 HD11 LEU 26 1HD1 LEU 26 17.700 13.424 -0.922 196 HD12 LEU 26 2HD1 LEU 26 18.341 11.998 -0.107 197 HD13 LEU 26 3HD1 LEU 26 18.724 13.608 0.502 198 HD21 LEU 26 3HD2 LEU 26 16.245 13.203 2.995 199 HD22 LEU 26 1HD2 LEU 26 17.803 13.887 2.527 200 HD23 LEU 26 2HD2 LEU 26 17.621 12.140 2.694 201 H ASP 27 H ASP 27 14.312 11.267 -0.339 202 HA ASP 27 HA ASP 27 16.405 10.332 -2.034 203 HB2 ASP 27 2HB ASP 27 14.995 9.174 -0.061 204 HB3 ASP 27 3HB ASP 27 14.101 8.553 -1.446 205 H LEU 28 H LEU 28 12.983 10.979 -2.458 206 HA LEU 28 HA LEU 28 12.867 9.772 -5.070 207 HB2 LEU 28 2HB LEU 28 10.967 10.080 -3.342 208 HB3 LEU 28 3HB LEU 28 10.855 11.713 -3.997 209 HG LEU 28 HG LEU 28 10.797 9.606 -6.031 210 HD11 LEU 28 1HD1 LEU 28 8.886 8.513 -5.478 211 HD12 LEU 28 2HD1 LEU 28 8.261 9.854 -4.519 212 HD13 LEU 28 3HD1 LEU 28 9.508 8.801 -3.853 213 HD21 LEU 28 3HD2 LEU 28 8.669 11.639 -5.582 214 HD22 LEU 28 1HD2 LEU 28 9.369 11.048 -7.089 215 HD23 LEU 28 2HD2 LEU 28 10.271 12.182 -6.083 216 H LYS 29 H LYS 29 12.830 13.089 -3.794 217 HA LYS 29 HA LYS 29 12.688 14.407 -6.267 218 HB2 LYS 29 2HB LYS 29 13.417 15.142 -3.494 219 HB3 LYS 29 3HB LYS 29 14.034 16.199 -4.757 220 HG2 LYS 29 2HG LYS 29 12.051 17.224 -4.333 221 HG3 LYS 29 3HG LYS 29 11.532 16.094 -5.586 222 HD2 LYS 29 2HD LYS 29 11.457 15.086 -2.811 223 HD3 LYS 29 3HD LYS 29 10.296 16.355 -3.209 224 HE2 LYS 29 2HE LYS 29 10.370 14.422 -5.320 225 HE3 LYS 29 3HE LYS 29 10.129 13.599 -3.779 226 HZ1 LYS 29 3HZ LYS 29 8.124 14.584 -3.459 227 HZ2 LYS 29 1HZ LYS 29 8.128 14.581 -5.151 228 HZ3 LYS 29 2HZ LYS 29 8.531 15.990 -4.308 229 H GLN 30 H GLN 30 15.539 13.806 -4.207 230 HA GLN 30 HA GLN 30 17.456 14.798 -5.967 231 HB2 GLN 30 2HB GLN 30 19.047 13.877 -4.561 232 HB3 GLN 30 3HB GLN 30 17.656 14.004 -3.493 233 HG2 GLN 30 2HG GLN 30 18.242 11.884 -3.004 234 HG3 GLN 30 3HG GLN 30 17.234 11.543 -4.410 235 HE21 GLN 30 1HE2 GLN 30 18.489 9.570 -4.521 236 HE22 GLN 30 2HE2 GLN 30 20.023 9.586 -5.313 237 H PHE 31 H PHE 31 15.650 11.870 -6.066 238 HA PHE 31 HA PHE 31 17.462 10.440 -7.774 239 HB2 PHE 31 2HB PHE 31 15.962 9.194 -6.328 240 HB3 PHE 31 3HB PHE 31 14.560 9.950 -7.078 241 HD1 PHE 31 HD2 PHE 31 17.231 7.481 -7.495 242 HD2 PHE 31 HD1 PHE 31 13.761 9.236 -9.228 243 HE1 PHE 31 HE2 PHE 31 17.130 5.652 -9.138 244 HE2 PHE 31 HE1 PHE 31 13.655 7.409 -10.873 245 HZ PHE 31 HZ PHE 31 15.341 5.614 -10.830 246 H LEU 32 H LEU 32 14.250 11.904 -8.277 247 HA LEU 32 HA LEU 32 14.279 11.574 -11.088 248 HB2 LEU 32 2HB LEU 32 12.417 13.252 -11.034 249 HB3 LEU 32 3HB LEU 32 12.181 11.821 -10.033 250 HG LEU 32 HG LEU 32 13.211 13.490 -8.196 251 HD11 LEU 32 1HD1 LEU 32 11.600 15.594 -8.901 252 HD12 LEU 32 2HD1 LEU 32 12.373 15.167 -10.427 253 HD13 LEU 32 3HD1 LEU 32 13.359 15.559 -9.019 254 HD21 LEU 32 3HD2 LEU 32 11.165 12.244 -7.929 255 HD22 LEU 32 1HD2 LEU 32 10.333 13.296 -9.073 256 HD23 LEU 32 2HD2 LEU 32 10.873 13.935 -7.521 257 H LYS 33 H LYS 33 15.087 14.298 -8.975 258 HA LYS 33 HA LYS 33 15.497 16.262 -10.890 259 HB2 LYS 33 2HB LYS 33 15.839 17.346 -8.964 260 HB3 LYS 33 3HB LYS 33 16.178 15.844 -8.113 261 HG2 LYS 33 2HG LYS 33 18.269 17.091 -9.844 262 HG3 LYS 33 3HG LYS 33 17.980 17.697 -8.212 263 HD2 LYS 33 2HD LYS 33 18.828 15.837 -7.227 264 HD3 LYS 33 3HD LYS 33 18.247 14.766 -8.504 265 HE2 LYS 33 2HE LYS 33 20.346 14.681 -9.240 266 HE3 LYS 33 3HE LYS 33 20.147 16.357 -9.752 267 HZ1 LYS 33 3HZ LYS 33 22.061 16.317 -8.425 268 HZ2 LYS 33 1HZ LYS 33 21.342 15.348 -7.240 269 HZ3 LYS 33 2HZ LYS 33 20.860 16.959 -7.421 270 H THR 34 H THR 34 17.450 13.511 -10.073 271 HA THR 34 HA THR 34 19.821 14.466 -11.397 272 HB THR 34 HB THR 34 19.397 12.525 -9.527 273 HG1 THR 34 HG1 THR 34 21.513 13.153 -11.270 274 HG21 THR 34 3HG2 THR 34 18.476 11.089 -11.422 275 HG22 THR 34 1HG2 THR 34 19.747 10.373 -10.431 276 HG23 THR 34 2HG2 THR 34 20.131 11.018 -12.027 277 H LEU 35 H LEU 35 16.955 12.768 -12.300 278 HA LEU 35 HA LEU 35 18.026 11.567 -14.674 279 HB2 LEU 35 2HB LEU 35 15.121 12.122 -14.183 280 HB3 LEU 35 3HB LEU 35 15.851 10.816 -15.113 281 HG LEU 35 HG LEU 35 15.906 11.077 -12.107 282 HD11 LEU 35 1HD1 LEU 35 14.504 8.898 -13.569 283 HD12 LEU 35 2HD1 LEU 35 13.719 10.471 -13.433 284 HD13 LEU 35 3HD1 LEU 35 14.177 9.586 -11.978 285 HD21 LEU 35 3HD2 LEU 35 16.960 8.953 -12.063 286 HD22 LEU 35 1HD2 LEU 35 17.876 9.948 -13.195 287 HD23 LEU 35 2HD2 LEU 35 16.748 8.735 -13.801 288 H THR 36 H THR 36 15.655 14.189 -14.173 289 HA THR 36 HA THR 36 16.723 15.507 -16.571 290 HB THR 36 HB THR 36 14.729 14.415 -17.354 291 HG1 THR 36 HG1 THR 36 14.741 16.373 -18.282 292 HG21 THR 36 3HG2 THR 36 12.924 14.047 -16.094 293 HG22 THR 36 1HG2 THR 36 12.749 15.764 -15.736 294 HG23 THR 36 2HG2 THR 36 13.807 14.760 -14.744 295 H GLY 37 H GLY 37 15.174 15.708 -13.458 296 HA2 GLY 37 2HA GLY 37 14.623 18.476 -13.425 297 HA3 GLY 37 3HA GLY 37 14.843 17.458 -12.010 298 H VAL 38 H VAL 38 15.751 19.749 -11.457 299 HA VAL 38 HA VAL 38 18.621 19.795 -12.123 300 HB VAL 38 HB VAL 38 17.782 21.843 -12.865 301 HG11 VAL 38 1HG1 VAL 38 15.885 21.511 -10.653 302 HG12 VAL 38 2HG1 VAL 38 16.400 23.174 -10.942 303 HG13 VAL 38 3HG1 VAL 38 15.661 22.239 -12.243 304 HG21 VAL 38 3HG2 VAL 38 19.744 22.090 -11.401 305 HG22 VAL 38 1HG2 VAL 38 18.707 23.516 -11.368 306 HG23 VAL 38 2HG2 VAL 38 18.670 22.369 -10.029 307 H LEU 39 H LEU 39 20.118 19.817 -10.510 308 HA LEU 39 HA LEU 39 19.538 18.694 -8.043 309 HB2 LEU 39 2HB LEU 39 21.813 19.822 -7.408 310 HB3 LEU 39 3HB LEU 39 21.748 18.502 -8.574 311 HG LEU 39 HG LEU 39 23.245 20.506 -9.109 312 HD11 LEU 39 1HD1 LEU 39 23.208 19.590 -11.125 313 HD12 LEU 39 2HD1 LEU 39 21.671 20.376 -11.482 314 HD13 LEU 39 3HD1 LEU 39 21.691 18.787 -10.719 315 HD21 LEU 39 3HD2 LEU 39 20.543 21.703 -9.710 316 HD22 LEU 39 1HD2 LEU 39 22.086 22.365 -10.247 317 HD23 LEU 39 2HD2 LEU 39 21.715 22.281 -8.525 318 HA PRO 40 HA PRO 40 17.951 21.928 -5.528 319 HB2 PRO 40 2HB PRO 40 18.835 21.128 -3.088 320 HB3 PRO 40 3HB PRO 40 17.525 20.312 -3.951 321 HG2 PRO 40 2HG PRO 40 20.416 19.561 -3.749 322 HG3 PRO 40 3HG PRO 40 18.981 18.525 -3.641 323 HD2 PRO 40 2HD PRO 40 20.473 18.718 -5.892 324 HD3 PRO 40 3HD PRO 40 18.721 18.433 -5.929 325 H GLU 41 H GLU 41 21.359 21.230 -5.566 326 HA GLU 41 HA GLU 41 22.367 23.183 -3.878 327 HB2 GLU 41 2HB GLU 41 23.756 21.454 -4.923 328 HB3 GLU 41 3HB GLU 41 23.529 22.211 -6.494 329 HG2 GLU 41 2HG GLU 41 25.712 22.714 -5.469 330 HG3 GLU 41 3HG GLU 41 24.750 24.153 -5.804 331 H ARG 42 H ARG 42 21.284 23.447 -7.223 332 HA ARG 42 HA ARG 42 21.813 26.335 -7.154 333 HB2 ARG 42 2HB ARG 42 21.565 24.322 -9.343 334 HB3 ARG 42 3HB ARG 42 21.112 25.986 -9.688 335 HG2 ARG 42 2HG ARG 42 23.302 26.048 -10.292 336 HG3 ARG 42 3HG ARG 42 23.454 26.490 -8.590 337 HD2 ARG 42 2HD ARG 42 23.713 23.952 -8.194 338 HD3 ARG 42 3HD ARG 42 24.045 23.873 -9.923 339 HE ARG 42 HE ARG 42 25.718 25.817 -9.019 340 HH11 ARG 42 1HH1 ARG 42 25.131 22.502 -8.135 341 HH12 ARG 42 2HH1 ARG 42 26.757 22.218 -7.608 342 HH21 ARG 42 1HH2 ARG 42 27.862 25.456 -8.328 343 HH22 ARG 42 2HH2 ARG 42 28.309 23.899 -7.717 344 H GLN 43 H GLN 43 19.278 23.950 -7.759 345 HA GLN 43 HA GLN 43 17.283 26.084 -7.931 346 HB2 GLN 43 2HB GLN 43 15.891 24.598 -9.004 347 HB3 GLN 43 3HB GLN 43 17.463 23.981 -9.496 348 HG2 GLN 43 2HG GLN 43 16.408 22.050 -8.889 349 HG3 GLN 43 3HG GLN 43 17.213 22.477 -7.380 350 HE21 GLN 43 1HE2 GLN 43 15.574 21.063 -6.452 351 HE22 GLN 43 2HE2 GLN 43 14.021 21.719 -6.075 352 H LYS 44 H LYS 44 15.302 25.920 -6.683 353 HA LYS 44 HA LYS 44 15.643 24.490 -4.132 354 HB2 LYS 44 2HB LYS 44 14.622 26.417 -2.977 355 HB3 LYS 44 3HB LYS 44 16.145 26.835 -3.748 356 HG2 LYS 44 2HG LYS 44 14.893 28.627 -4.369 357 HG3 LYS 44 3HG LYS 44 14.552 27.549 -5.724 358 HD2 LYS 44 2HD LYS 44 12.386 27.442 -5.200 359 HD3 LYS 44 3HD LYS 44 12.744 27.093 -3.507 360 HE2 LYS 44 2HE LYS 44 11.624 29.107 -3.358 361 HE3 LYS 44 3HE LYS 44 13.309 29.625 -3.377 362 HZ1 LYS 44 3HZ LYS 44 11.761 29.443 -5.882 363 HZ2 LYS 44 1HZ LYS 44 13.143 30.361 -5.551 364 HZ3 LYS 44 2HZ LYS 44 11.651 30.815 -4.898 365 H LEU 45 H LEU 45 13.818 23.596 -3.236 366 HA LEU 45 HA LEU 45 11.687 22.966 -4.990 367 HB2 LEU 45 2HB LEU 45 12.134 22.544 -2.052 368 HB3 LEU 45 3HB LEU 45 10.643 22.043 -2.847 369 HG LEU 45 HG LEU 45 12.068 20.136 -2.639 370 HD11 LEU 45 1HD1 LEU 45 11.073 21.074 -5.068 371 HD12 LEU 45 2HD1 LEU 45 11.500 19.412 -4.658 372 HD13 LEU 45 3HD1 LEU 45 12.687 20.461 -5.433 373 HD21 LEU 45 3HD2 LEU 45 14.310 20.034 -3.475 374 HD22 LEU 45 1HD2 LEU 45 14.184 21.428 -2.402 375 HD23 LEU 45 2HD2 LEU 45 14.185 21.658 -4.151 376 H LEU 46 H LEU 46 9.684 23.804 -5.216 377 HA LEU 46 HA LEU 46 9.183 26.417 -4.137 378 HB2 LEU 46 2HB LEU 46 7.699 24.578 -5.979 379 HB3 LEU 46 3HB LEU 46 6.940 26.041 -5.357 380 HG LEU 46 HG LEU 46 7.795 26.463 -7.563 381 HD11 LEU 46 1HD1 LEU 46 9.853 27.811 -5.903 382 HD12 LEU 46 2HD1 LEU 46 8.157 28.088 -5.509 383 HD13 LEU 46 3HD1 LEU 46 8.762 28.476 -7.119 384 HD21 LEU 46 3HD2 LEU 46 10.631 26.186 -6.915 385 HD22 LEU 46 1HD2 LEU 46 9.743 25.711 -8.363 386 HD23 LEU 46 2HD2 LEU 46 9.753 24.656 -6.950 387 H GLY 47 H GLY 47 7.111 23.508 -4.137 388 HA2 GLY 47 2HA GLY 47 5.974 24.426 -1.587 389 HA3 GLY 47 3HA GLY 47 5.231 23.273 -2.684 390 H LEU 48 H LEU 48 8.286 23.577 -0.865 391 HA LEU 48 HA LEU 48 8.758 20.833 -0.617 392 HB2 LEU 48 2HB LEU 48 10.296 21.424 1.176 393 HB3 LEU 48 3HB LEU 48 10.469 22.505 -0.205 394 HG LEU 48 HG LEU 48 8.864 24.039 1.204 395 HD11 LEU 48 1HD1 LEU 48 9.531 23.797 3.644 396 HD12 LEU 48 2HD1 LEU 48 10.032 22.157 3.232 397 HD13 LEU 48 3HD1 LEU 48 8.350 22.644 3.021 398 HD21 LEU 48 3HD2 LEU 48 11.527 24.027 0.636 399 HD22 LEU 48 1HD2 LEU 48 11.538 24.070 2.399 400 HD23 LEU 48 2HD2 LEU 48 10.683 25.318 1.492 401 H LYS 49 H LYS 49 6.463 22.822 0.932 402 HA LYS 49 HA LYS 49 5.983 20.762 2.983 403 HB2 LYS 49 2HB LYS 49 4.488 22.878 3.811 404 HB3 LYS 49 3HB LYS 49 6.129 22.549 4.352 405 HG2 LYS 49 2HG LYS 49 7.036 24.111 2.799 406 HG3 LYS 49 3HG LYS 49 5.474 24.308 2.001 407 HD2 LYS 49 2HD LYS 49 4.720 25.748 3.560 408 HD3 LYS 49 3HD LYS 49 5.468 24.857 4.888 409 HE2 LYS 49 2HE LYS 49 7.513 25.933 4.619 410 HE3 LYS 49 3HE LYS 49 7.144 26.430 2.969 411 HZ1 LYS 49 3HZ LYS 49 6.823 28.382 4.066 412 HZ2 LYS 49 1HZ LYS 49 6.322 27.643 5.503 413 HZ3 LYS 49 2HZ LYS 49 5.258 27.752 4.193 414 H VAL 50 H VAL 50 3.929 19.930 3.255 415 HA VAL 50 HA VAL 50 1.798 20.862 1.486 416 HB VAL 50 HB VAL 50 3.009 19.052 0.272 417 HG11 VAL 50 1HG1 VAL 50 3.460 17.830 2.523 418 HG12 VAL 50 2HG1 VAL 50 1.884 17.092 2.228 419 HG13 VAL 50 3HG1 VAL 50 3.188 16.887 1.058 420 HG21 VAL 50 3HG2 VAL 50 1.060 18.599 -0.701 421 HG22 VAL 50 1HG2 VAL 50 0.521 17.664 0.694 422 HG23 VAL 50 2HG2 VAL 50 0.262 19.408 0.648 423 H LYS 51 H LYS 51 -0.273 20.420 2.216 424 HA LYS 51 HA LYS 51 -1.893 20.137 3.790 425 HB2 LYS 51 2HB LYS 51 -0.190 17.718 4.411 426 HB3 LYS 51 3HB LYS 51 -1.804 17.985 5.059 427 HG2 LYS 51 2HG LYS 51 -1.091 17.681 2.149 428 HG3 LYS 51 3HG LYS 51 -1.862 16.464 3.170 429 HD2 LYS 51 2HD LYS 51 -3.681 18.222 3.570 430 HD3 LYS 51 3HD LYS 51 -2.978 19.078 2.195 431 HE2 LYS 51 2HE LYS 51 -4.504 17.832 1.068 432 HE3 LYS 51 3HE LYS 51 -3.189 16.659 1.100 433 HZ1 LYS 51 3HZ LYS 51 -5.158 16.704 3.286 434 HZ2 LYS 51 1HZ LYS 51 -4.216 15.418 2.721 435 HZ3 LYS 51 2HZ LYS 51 -5.548 15.947 1.824 436 H GLY 52 H GLY 52 0.371 21.812 4.487 437 HA2 GLY 52 2HA GLY 52 0.797 23.111 6.368 438 HA3 GLY 52 3HA GLY 52 -0.131 21.970 7.331 439 H LYS 53 H LYS 53 1.758 19.921 5.834 440 HA LYS 53 HA LYS 53 3.618 19.747 8.033 441 HB2 LYS 53 2HB LYS 53 3.167 18.039 5.586 442 HB3 LYS 53 3HB LYS 53 4.417 17.700 6.776 443 HG2 LYS 53 2HG LYS 53 1.471 17.861 7.377 444 HG3 LYS 53 3HG LYS 53 2.371 16.367 7.104 445 HD2 LYS 53 2HD LYS 53 3.847 17.730 9.025 446 HD3 LYS 53 3HD LYS 53 2.165 17.997 9.491 447 HE2 LYS 53 2HE LYS 53 2.487 16.013 10.543 448 HE3 LYS 53 3HE LYS 53 2.033 15.389 8.958 449 HZ1 LYS 53 3HZ LYS 53 3.939 14.240 9.233 450 HZ2 LYS 53 1HZ LYS 53 4.622 15.372 10.289 451 HZ3 LYS 53 2HZ LYS 53 4.643 15.651 8.621 452 HA PRO 54 HA PRO 54 7.069 21.750 6.196 453 HB2 PRO 54 2HB PRO 54 9.111 20.352 7.311 454 HB3 PRO 54 3HB PRO 54 8.126 21.504 8.221 455 HG2 PRO 54 2HG PRO 54 7.930 18.519 8.108 456 HG3 PRO 54 3HG PRO 54 7.814 19.596 9.512 457 HD2 PRO 54 2HD PRO 54 5.634 18.540 8.302 458 HD3 PRO 54 3HD PRO 54 5.618 20.140 9.072 459 H ALA 55 H ALA 55 6.939 18.227 6.020 460 HA ALA 55 HA ALA 55 7.969 16.745 4.579 461 HB1 ALA 55 1HB ALA 55 7.334 17.339 2.171 462 HB2 ALA 55 2HB ALA 55 6.029 17.144 3.342 463 HB3 ALA 55 3HB ALA 55 6.553 18.760 2.867 464 H GLU 56 H GLU 56 9.921 18.441 5.548 465 HA GLU 56 HA GLU 56 11.421 19.816 3.626 466 HB2 GLU 56 2HB GLU 56 11.758 19.989 6.080 467 HB3 GLU 56 3HB GLU 56 12.454 18.375 6.074 468 HG2 GLU 56 2HG GLU 56 14.428 19.316 5.753 469 HG3 GLU 56 3HG GLU 56 13.883 19.765 4.138 470 H ASN 57 H ASN 57 12.558 16.794 5.103 471 HA ASN 57 HA ASN 57 12.902 15.503 2.556 472 HB2 ASN 57 2HB ASN 57 15.473 15.237 3.211 473 HB3 ASN 57 3HB ASN 57 14.901 16.570 2.214 474 HD21 ASN 57 1HD2 ASN 57 15.385 15.706 5.616 475 HD22 ASN 57 2HD2 ASN 57 15.945 17.264 6.110 476 H ASP 58 H ASP 58 13.563 15.581 6.011 477 HA ASP 58 HA ASP 58 14.204 12.836 6.292 478 HB2 ASP 58 2HB ASP 58 14.712 14.666 7.957 479 HB3 ASP 58 3HB ASP 58 13.011 14.628 8.412 480 H VAL 59 H VAL 59 11.332 14.318 5.485 481 HA VAL 59 HA VAL 59 9.537 12.546 6.878 482 HB VAL 59 HB VAL 59 8.881 14.302 4.515 483 HG11 VAL 59 1HG1 VAL 59 7.208 13.153 6.745 484 HG12 VAL 59 2HG1 VAL 59 6.628 14.300 5.536 485 HG13 VAL 59 3HG1 VAL 59 7.162 12.692 5.043 486 HG21 VAL 59 3HG2 VAL 59 9.556 15.009 7.276 487 HG22 VAL 59 1HG2 VAL 59 9.518 16.009 5.823 488 HG23 VAL 59 2HG2 VAL 59 8.028 15.681 6.708 489 H LYS 60 H LYS 60 8.354 10.853 6.016 490 HA LYS 60 HA LYS 60 9.580 9.553 3.717 491 HB2 LYS 60 2HB LYS 60 7.529 8.592 5.718 492 HB3 LYS 60 3HB LYS 60 8.151 7.616 4.394 493 HG2 LYS 60 2HG LYS 60 10.470 8.149 5.419 494 HG3 LYS 60 3HG LYS 60 9.542 8.557 6.864 495 HD2 LYS 60 2HD LYS 60 8.630 6.062 5.759 496 HD3 LYS 60 3HD LYS 60 10.375 6.013 6.026 497 HE2 LYS 60 2HE LYS 60 9.086 5.245 7.984 498 HE3 LYS 60 3HE LYS 60 10.080 6.658 8.334 499 HZ1 LYS 60 3HZ LYS 60 8.162 8.057 8.198 500 HZ2 LYS 60 1HZ LYS 60 7.813 6.788 9.262 501 HZ3 LYS 60 2HZ LYS 60 7.184 6.772 7.691 502 H LEU 61 H LEU 61 8.391 8.782 1.926 503 HA LEU 61 HA LEU 61 6.619 10.543 0.759 504 HB2 LEU 61 2HB LEU 61 6.545 7.603 0.170 505 HB3 LEU 61 3HB LEU 61 6.292 8.954 -0.934 506 HG LEU 61 HG LEU 61 8.914 8.045 0.247 507 HD11 LEU 61 1HD1 LEU 61 7.874 6.739 -1.655 508 HD12 LEU 61 2HD1 LEU 61 9.495 7.374 -1.934 509 HD13 LEU 61 3HD1 LEU 61 8.098 8.184 -2.641 510 HD21 LEU 61 3HD2 LEU 61 9.858 9.805 -1.288 511 HD22 LEU 61 1HD2 LEU 61 9.023 10.411 0.143 512 HD23 LEU 61 2HD2 LEU 61 8.221 10.448 -1.428 513 H GLY 62 H GLY 62 5.888 7.576 2.569 514 HA2 GLY 62 2HA GLY 62 3.046 7.891 2.266 515 HA3 GLY 62 3HA GLY 62 3.864 6.721 3.291 516 H ALA 63 H ALA 63 5.340 9.342 4.272 517 HA ALA 63 HA ALA 63 3.627 9.664 6.573 518 HB1 ALA 63 1HB ALA 63 6.098 9.522 6.754 519 HB2 ALA 63 2HB ALA 63 6.210 11.085 5.945 520 HB3 ALA 63 3HB ALA 63 5.417 10.960 7.515 521 H LEU 64 H LEU 64 4.577 11.547 3.762 522 HA LEU 64 HA LEU 64 3.397 13.989 4.652 523 HB2 LEU 64 2HB LEU 64 3.758 13.406 1.759 524 HB3 LEU 64 3HB LEU 64 4.075 14.889 2.658 525 HG LEU 64 HG LEU 64 5.867 12.769 3.468 526 HD11 LEU 64 1HD1 LEU 64 6.280 13.631 0.636 527 HD12 LEU 64 2HD1 LEU 64 5.302 12.210 1.003 528 HD13 LEU 64 3HD1 LEU 64 6.989 12.273 1.511 529 HD21 LEU 64 3HD2 LEU 64 6.104 15.227 3.842 530 HD22 LEU 64 1HD2 LEU 64 6.426 15.404 2.117 531 HD23 LEU 64 2HD2 LEU 64 7.522 14.459 3.126 532 H LYS 65 H LYS 65 2.225 11.140 3.092 533 HA LYS 65 HA LYS 65 0.148 10.480 2.440 534 HB2 LYS 65 2HB LYS 65 -0.885 12.942 3.849 535 HB3 LYS 65 3HB LYS 65 -1.763 11.456 3.510 536 HG2 LYS 65 2HG LYS 65 0.628 11.615 5.331 537 HG3 LYS 65 3HG LYS 65 -1.047 11.725 5.879 538 HD2 LYS 65 2HD LYS 65 -1.509 9.506 5.056 539 HD3 LYS 65 3HD LYS 65 0.099 9.398 4.337 540 HE2 LYS 65 2HE LYS 65 0.458 8.253 6.282 541 HE3 LYS 65 3HE LYS 65 0.863 9.885 6.812 542 HZ1 LYS 65 3HZ LYS 65 -0.576 9.369 8.448 543 HZ2 LYS 65 1HZ LYS 65 -1.400 8.210 7.532 544 HZ3 LYS 65 2HZ LYS 65 -1.739 9.853 7.318 545 H LEU 66 H LEU 66 1.668 12.063 0.656 546 HA LEU 66 HA LEU 66 -0.188 13.916 -0.595 547 HB2 LEU 66 2HB LEU 66 2.669 13.383 -0.702 548 HB3 LEU 66 3HB LEU 66 1.964 13.623 -2.299 549 HG LEU 66 HG LEU 66 1.755 15.575 -0.008 550 HD11 LEU 66 1HD1 LEU 66 3.698 15.282 -2.247 551 HD12 LEU 66 2HD1 LEU 66 3.970 15.763 -0.573 552 HD13 LEU 66 3HD1 LEU 66 3.240 16.898 -1.708 553 HD21 LEU 66 3HD2 LEU 66 0.334 15.315 -2.477 554 HD22 LEU 66 1HD2 LEU 66 1.318 16.778 -2.514 555 HD23 LEU 66 2HD2 LEU 66 0.156 16.531 -1.211 556 H LYS 67 H LYS 67 -0.874 13.721 -2.786 557 HA LYS 67 HA LYS 67 -1.752 11.112 -3.473 558 HB2 LYS 67 2HB LYS 67 -2.058 13.837 -4.535 559 HB3 LYS 67 3HB LYS 67 -2.118 12.575 -5.758 560 HG2 LYS 67 2HG LYS 67 -4.311 12.614 -5.227 561 HG3 LYS 67 3HG LYS 67 -3.776 11.491 -3.975 562 HD2 LYS 67 2HD LYS 67 -3.381 13.729 -2.629 563 HD3 LYS 67 3HD LYS 67 -4.596 14.345 -3.752 564 HE2 LYS 67 2HE LYS 67 -5.707 11.982 -2.971 565 HE3 LYS 67 3HE LYS 67 -4.869 12.482 -1.503 566 HZ1 LYS 67 3HZ LYS 67 -6.694 13.694 -1.143 567 HZ2 LYS 67 1HZ LYS 67 -7.215 13.595 -2.749 568 HZ3 LYS 67 2HZ LYS 67 -6.073 14.760 -2.301 569 HA PRO 68 HA PRO 68 1.441 9.550 -6.046 570 HB2 PRO 68 2HB PRO 68 0.048 8.357 -8.048 571 HB3 PRO 68 3HB PRO 68 0.120 7.706 -6.406 572 HG2 PRO 68 2HG PRO 68 -2.029 9.336 -7.705 573 HG3 PRO 68 3HG PRO 68 -2.183 7.911 -6.661 574 HD2 PRO 68 2HD PRO 68 -2.550 10.433 -5.747 575 HD3 PRO 68 3HD PRO 68 -1.886 9.136 -4.732 576 H ASN 69 H ASN 69 -1.074 11.382 -7.734 577 HA ASN 69 HA ASN 69 0.579 11.890 -10.031 578 HB2 ASN 69 2HB ASN 69 -1.286 13.448 -10.672 579 HB3 ASN 69 3HB ASN 69 -1.793 11.785 -10.386 580 HD21 ASN 69 1HD2 ASN 69 -3.812 11.984 -9.682 581 HD22 ASN 69 2HD2 ASN 69 -4.308 12.940 -8.331 582 H THR 70 H THR 70 0.255 13.246 -6.937 583 HA THR 70 HA THR 70 0.522 15.883 -6.983 584 HB THR 70 HB THR 70 2.397 14.008 -5.534 585 HG1 THR 70 HG1 THR 70 0.830 13.908 -4.098 586 HG21 THR 70 3HG2 THR 70 2.599 16.040 -3.969 587 HG22 THR 70 1HG2 THR 70 2.042 16.985 -5.349 588 HG23 THR 70 2HG2 THR 70 3.535 16.053 -5.463 589 H LYS 71 H LYS 71 1.560 17.316 -8.188 590 HA LYS 71 HA LYS 71 3.936 16.512 -9.672 591 HB2 LYS 71 2HB LYS 71 2.566 19.187 -9.839 592 HB3 LYS 71 3HB LYS 71 3.570 18.399 -11.048 593 HG2 LYS 71 2HG LYS 71 1.674 17.764 -12.011 594 HG3 LYS 71 3HG LYS 71 1.501 16.616 -10.682 595 HD2 LYS 71 2HD LYS 71 0.076 18.056 -9.485 596 HD3 LYS 71 3HD LYS 71 0.513 19.448 -10.479 597 HE2 LYS 71 2HE LYS 71 -0.863 17.036 -11.625 598 HE3 LYS 71 3HE LYS 71 -1.763 18.365 -10.897 599 HZ1 LYS 71 3HZ LYS 71 -1.158 18.295 -13.460 600 HZ2 LYS 71 1HZ LYS 71 0.238 19.067 -12.897 601 HZ3 LYS 71 2HZ LYS 71 -1.282 19.748 -12.601 602 H ILE 72 H ILE 72 5.916 17.571 -9.556 603 HA ILE 72 HA ILE 72 6.283 19.269 -7.175 604 HB ILE 72 HB ILE 72 8.345 17.448 -8.418 605 HG12 ILE 72 2HG1 ILE 72 6.493 16.178 -7.386 606 HG13 ILE 72 3HG1 ILE 72 8.000 15.984 -6.498 607 HG21 ILE 72 1HG2 ILE 72 8.378 19.453 -6.258 608 HG22 ILE 72 2HG2 ILE 72 9.208 17.936 -5.917 609 HG23 ILE 72 3HG2 ILE 72 9.675 18.902 -7.317 610 HD11 ILE 72 3HD1 ILE 72 6.142 16.243 -4.979 611 HD12 ILE 72 1HD1 ILE 72 7.226 17.629 -4.858 612 HD13 ILE 72 2HD1 ILE 72 5.705 17.773 -5.739 613 H MET 73 H MET 73 7.145 21.230 -7.456 614 HA MET 73 HA MET 73 8.098 21.931 -10.144 615 HB2 MET 73 2HB MET 73 7.165 23.739 -7.907 616 HB3 MET 73 3HB MET 73 7.623 24.254 -9.525 617 HG2 MET 73 2HG MET 73 5.721 23.368 -10.491 618 HG3 MET 73 3HG MET 73 5.435 22.260 -9.151 619 HE1 MET 73 3HE MET 73 3.745 23.016 -6.987 620 HE2 MET 73 1HE MET 73 2.460 23.865 -7.848 621 HE3 MET 73 2HE MET 73 3.262 22.486 -8.599 622 H MET 74 H MET 74 10.074 22.885 -10.473 623 HA MET 74 HA MET 74 11.795 23.285 -8.127 624 HB2 MET 74 2HB MET 74 12.593 21.815 -10.646 625 HB3 MET 74 3HB MET 74 13.667 22.211 -9.311 626 HG2 MET 74 2HG MET 74 12.380 20.788 -7.825 627 HG3 MET 74 3HG MET 74 11.255 20.422 -9.131 628 HE1 MET 74 3HE MET 74 11.713 19.330 -11.155 629 HE2 MET 74 1HE MET 74 13.345 19.610 -11.765 630 HE3 MET 74 2HE MET 74 12.833 17.978 -11.334 631 H MET 75 H MET 75 12.697 25.232 -8.139 632 HA MET 75 HA MET 75 12.919 26.653 -10.708 633 HB2 MET 75 2HB MET 75 12.597 27.732 -7.904 634 HB3 MET 75 3HB MET 75 12.891 28.733 -9.319 635 HG2 MET 75 2HG MET 75 10.644 26.921 -9.662 636 HG3 MET 75 3HG MET 75 10.439 28.029 -8.308 637 HE1 MET 75 3HE MET 75 8.613 30.386 -9.593 638 HE2 MET 75 1HE MET 75 9.703 29.938 -8.280 639 HE3 MET 75 2HE MET 75 10.111 31.283 -9.344 640 H GLY 76 H GLY 76 14.894 27.064 -11.451 641 HA2 GLY 76 2HA GLY 76 17.051 28.099 -10.137 642 HA3 GLY 76 3HA GLY 76 17.208 26.366 -9.894 643 H THR 77 H THR 77 19.161 26.377 -11.085 644 HA THR 77 HA THR 77 18.722 26.416 -13.990 645 HB THR 77 HB THR 77 19.877 28.474 -13.567 646 HG1 THR 77 HG1 THR 77 21.924 26.670 -14.347 647 HG21 THR 77 3HG2 THR 77 21.229 28.750 -11.820 648 HG22 THR 77 1HG2 THR 77 22.365 27.579 -12.487 649 HG23 THR 77 2HG2 THR 77 21.058 27.039 -11.433 650 H ARG 78 H ARG 78 19.823 24.870 -15.157 651 HA ARG 78 HA ARG 78 20.535 22.497 -13.818 652 HB2 ARG 78 2HB ARG 78 20.708 23.465 -16.640 653 HB3 ARG 78 3HB ARG 78 21.573 22.000 -16.195 654 HG2 ARG 78 2HG ARG 78 19.660 20.972 -16.715 655 HG3 ARG 78 3HG ARG 78 19.126 21.517 -15.123 656 HD2 ARG 78 2HD ARG 78 17.417 22.405 -16.295 657 HD3 ARG 78 3HD ARG 78 18.568 23.708 -16.587 658 HE ARG 78 HE ARG 78 18.685 21.597 -18.536 659 HH11 ARG 78 1HH1 ARG 78 17.133 24.577 -17.626 660 HH12 ARG 78 2HH1 ARG 78 16.652 24.973 -19.243 661 HH21 ARG 78 1HH2 ARG 78 18.058 22.106 -20.669 662 HH22 ARG 78 2HH2 ARG 78 17.178 23.566 -20.973 663 H GLU 79 H GLU 79 22.613 21.389 -13.892 664 HA GLU 79 HA GLU 79 24.756 23.186 -13.147 665 HB2 GLU 79 2HB GLU 79 24.159 20.313 -12.824 666 HB3 GLU 79 3HB GLU 79 25.862 20.711 -13.001 667 HG2 GLU 79 2HG GLU 79 24.023 21.956 -10.972 668 HG3 GLU 79 3HG GLU 79 25.098 20.596 -10.653 669 H GLU 80 H GLU 80 26.677 23.474 -14.204 670 HA GLU 80 HA GLU 80 26.706 23.160 -17.007 671 HB2 GLU 80 2HB GLU 80 28.907 23.840 -15.055 672 HB3 GLU 80 3HB GLU 80 29.111 23.878 -16.801 673 HG2 GLU 80 2HG GLU 80 27.344 25.567 -16.962 674 HG3 GLU 80 3HG GLU 80 27.175 25.543 -15.208 675 H SER 81 H SER 81 27.967 21.225 -14.387 676 HA SER 81 HA SER 81 29.570 19.549 -16.098 677 HB2 SER 81 2HB SER 81 29.863 20.088 -13.540 678 HB3 SER 81 3HB SER 81 28.752 18.735 -13.333 679 HG SER 81 HG SER 81 30.329 17.432 -13.777 680 HN1 NH2 90 H1 NH2 90 26.124 17.587 -15.021 Start of MODEL 10 1 H1 MET 1 H MET 1 3.259 -0.103 0.189 2 HA MET 1 HA MET 1 4.084 -1.244 -2.283 3 HB2 MET 1 2HB MET 1 1.373 -0.013 -2.091 4 HB3 MET 1 3HB MET 1 2.322 0.289 -3.541 5 HG2 MET 1 2HG MET 1 2.327 -2.511 -2.818 6 HG3 MET 1 3HG MET 1 0.694 -1.889 -3.042 7 HE1 MET 1 3HE MET 1 0.386 -2.774 -6.604 8 HE2 MET 1 1HE MET 1 0.162 -3.411 -4.974 9 HE3 MET 1 2HE MET 1 -0.416 -1.794 -5.376 10 H ALA 2 H ALA 2 4.492 0.604 -3.940 11 HA ALA 2 HA ALA 2 5.837 2.738 -2.466 12 HB1 ALA 2 1HB ALA 2 6.465 1.212 -4.776 13 HB2 ALA 2 2HB ALA 2 6.365 2.910 -5.247 14 HB3 ALA 2 3HB ALA 2 7.453 2.417 -3.949 15 H LEU 3 H LEU 3 5.634 4.941 -3.045 16 HA LEU 3 HA LEU 3 3.072 5.579 -4.348 17 HB2 LEU 3 2HB LEU 3 4.325 6.479 -1.904 18 HB3 LEU 3 3HB LEU 3 3.937 7.836 -2.960 19 HG LEU 3 HG LEU 3 1.984 5.769 -1.948 20 HD11 LEU 3 1HD1 LEU 3 2.826 7.364 -0.241 21 HD12 LEU 3 2HD1 LEU 3 1.100 7.515 -0.565 22 HD13 LEU 3 3HD1 LEU 3 2.230 8.688 -1.242 23 HD21 LEU 3 3HD2 LEU 3 0.701 8.068 -2.952 24 HD22 LEU 3 1HD2 LEU 3 0.647 6.425 -3.591 25 HD23 LEU 3 2HD2 LEU 3 1.867 7.558 -4.174 26 HA PRO 4 HA PRO 4 5.812 7.280 -7.479 27 HB2 PRO 4 2HB PRO 4 3.836 7.745 -9.281 28 HB3 PRO 4 3HB PRO 4 4.545 6.147 -9.025 29 HG2 PRO 4 2HG PRO 4 1.989 7.279 -7.953 30 HG3 PRO 4 3HG PRO 4 2.306 5.666 -8.620 31 HD2 PRO 4 2HD PRO 4 2.181 6.143 -5.957 32 HD3 PRO 4 3HD PRO 4 3.238 4.900 -6.656 33 H ILE 5 H ILE 5 6.107 9.349 -8.419 34 HA ILE 5 HA ILE 5 4.268 11.482 -7.709 35 HB ILE 5 HB ILE 5 7.136 11.524 -6.764 36 HG12 ILE 5 2HG1 ILE 5 4.517 11.376 -5.259 37 HG13 ILE 5 3HG1 ILE 5 5.772 10.144 -5.316 38 HG21 ILE 5 1HG2 ILE 5 4.974 13.605 -6.468 39 HG22 ILE 5 2HG2 ILE 5 6.613 13.702 -5.826 40 HG23 ILE 5 3HG2 ILE 5 6.348 13.705 -7.569 41 HD11 ILE 5 3HD1 ILE 5 5.508 12.432 -3.585 42 HD12 ILE 5 1HD1 ILE 5 6.555 11.021 -3.441 43 HD13 ILE 5 2HD1 ILE 5 7.073 12.410 -4.396 44 H ILE 6 H ILE 6 4.297 13.134 -9.145 45 HA ILE 6 HA ILE 6 6.110 12.863 -11.420 46 HB ILE 6 HB ILE 6 3.512 14.318 -11.025 47 HG12 ILE 6 2HG1 ILE 6 3.976 12.726 -13.441 48 HG13 ILE 6 3HG1 ILE 6 4.133 11.798 -11.954 49 HG21 ILE 6 1HG2 ILE 6 3.818 15.129 -13.393 50 HG22 ILE 6 2HG2 ILE 6 4.812 15.928 -12.176 51 HG23 ILE 6 3HG2 ILE 6 5.522 14.705 -13.230 52 HD11 ILE 6 3HD1 ILE 6 1.782 12.573 -13.310 53 HD12 ILE 6 1HD1 ILE 6 1.936 11.649 -11.816 54 HD13 ILE 6 2HD1 ILE 6 1.806 13.407 -11.756 55 H VAL 7 H VAL 7 7.517 14.431 -12.077 56 HA VAL 7 HA VAL 7 7.721 16.842 -10.396 57 HB VAL 7 HB VAL 7 9.493 15.286 -9.757 58 HG11 VAL 7 1HG1 VAL 7 10.650 14.047 -11.203 59 HG12 VAL 7 2HG1 VAL 7 9.523 14.604 -12.441 60 HG13 VAL 7 3HG1 VAL 7 11.052 15.448 -12.195 61 HG21 VAL 7 3HG2 VAL 7 9.906 17.938 -10.808 62 HG22 VAL 7 1HG2 VAL 7 10.602 17.176 -9.378 63 HG23 VAL 7 2HG2 VAL 7 11.373 16.970 -10.950 64 H LYS 8 H LYS 8 7.583 18.656 -11.527 65 HA LYS 8 HA LYS 8 8.155 18.565 -14.412 66 HB2 LYS 8 2HB LYS 8 6.693 20.525 -14.608 67 HB3 LYS 8 3HB LYS 8 5.852 19.172 -13.863 68 HG2 LYS 8 2HG LYS 8 6.700 20.384 -11.650 69 HG3 LYS 8 3HG LYS 8 6.634 21.785 -12.721 70 HD2 LYS 8 2HD LYS 8 4.340 19.860 -12.442 71 HD3 LYS 8 3HD LYS 8 4.534 21.258 -11.382 72 HE2 LYS 8 2HE LYS 8 4.793 21.883 -14.227 73 HE3 LYS 8 3HE LYS 8 3.211 21.248 -13.781 74 HZ1 LYS 8 3HZ LYS 8 4.402 23.794 -13.171 75 HZ2 LYS 8 1HZ LYS 8 3.714 23.039 -11.823 76 HZ3 LYS 8 2HZ LYS 8 2.773 23.341 -13.195 77 H TRP 9 H TRP 9 9.963 19.504 -15.066 78 HA TRP 9 HA TRP 9 11.034 21.750 -13.486 79 HB2 TRP 9 2HB TRP 9 12.565 20.011 -13.097 80 HB3 TRP 9 3HB TRP 9 12.453 19.421 -14.754 81 HD1 TRP 9 HD1 TRP 9 14.736 19.766 -15.847 82 HE1 TRP 9 HE1 TRP 9 16.463 21.672 -15.958 83 HE3 TRP 9 HE3 TRP 9 12.476 23.094 -12.692 84 HZ2 TRP 9 HZ2 TRP 9 16.819 24.245 -14.854 85 HZ3 TRP 9 HZ3 TRP 9 13.575 25.255 -12.273 86 HH2 TRP 9 HH2 TRP 9 15.702 25.816 -13.332 87 H GLY 10 H GLY 10 10.406 23.471 -14.683 88 HA2 GLY 10 2HA GLY 10 11.009 25.010 -16.385 89 HA3 GLY 10 3HA GLY 10 11.535 23.661 -17.382 90 H GLY 11 H GLY 11 9.919 22.349 -18.418 91 HA2 GLY 11 2HA GLY 11 7.192 23.383 -18.439 92 HA3 GLY 11 3HA GLY 11 8.089 23.523 -19.944 93 H GLN 12 H GLN 12 8.792 20.816 -17.942 94 HA GLN 12 HA GLN 12 7.075 19.100 -19.604 95 HB2 GLN 12 2HB GLN 12 10.013 18.928 -19.119 96 HB3 GLN 12 3HB GLN 12 9.104 17.430 -19.265 97 HG2 GLN 12 2HG GLN 12 8.419 17.950 -21.466 98 HG3 GLN 12 3HG GLN 12 8.983 19.614 -21.321 99 HE21 GLN 12 1HE2 GLN 12 11.268 19.981 -21.203 100 HE22 GLN 12 2HE2 GLN 12 12.362 18.864 -21.938 101 H GLU 13 H GLU 13 7.117 16.765 -18.628 102 HA GLU 13 HA GLU 13 7.023 16.924 -15.695 103 HB2 GLU 13 2HB GLU 13 4.889 15.787 -17.507 104 HB3 GLU 13 3HB GLU 13 4.942 15.527 -15.769 105 HG2 GLU 13 2HG GLU 13 4.636 17.861 -15.344 106 HG3 GLU 13 3HG GLU 13 4.787 18.239 -17.059 107 H TYR 14 H TYR 14 7.663 15.110 -14.610 108 HA TYR 14 HA TYR 14 8.295 12.715 -16.185 109 HB2 TYR 14 2HB TYR 14 10.181 14.066 -14.242 110 HB3 TYR 14 3HB TYR 14 10.466 12.513 -15.020 111 HD1 TYR 14 HD1 TYR 14 9.896 16.114 -15.764 112 HD2 TYR 14 HD2 TYR 14 11.517 12.417 -17.105 113 HE1 TYR 14 HE1 TYR 14 10.937 17.269 -17.670 114 HE2 TYR 14 HE2 TYR 14 12.564 13.561 -19.014 115 HH TYR 14 HH TYR 14 11.806 16.093 -20.280 116 H SER 15 H SER 15 7.333 11.024 -15.300 117 HA SER 15 HA SER 15 6.357 11.129 -12.583 118 HB2 SER 15 2HB SER 15 5.297 8.975 -13.109 119 HB3 SER 15 3HB SER 15 4.963 10.163 -14.369 120 HG SER 15 HG SER 15 6.698 7.945 -14.434 121 H VAL 16 H VAL 16 7.131 10.057 -10.847 122 HA VAL 16 HA VAL 16 9.699 8.684 -11.177 123 HB VAL 16 HB VAL 16 8.365 9.745 -8.682 124 HG11 VAL 16 1HG1 VAL 16 10.914 9.377 -7.955 125 HG12 VAL 16 2HG1 VAL 16 9.666 8.148 -7.738 126 HG13 VAL 16 3HG1 VAL 16 10.758 8.064 -9.121 127 HG21 VAL 16 3HG2 VAL 16 9.138 11.698 -9.458 128 HG22 VAL 16 1HG2 VAL 16 10.731 11.085 -9.016 129 HG23 VAL 16 2HG2 VAL 16 10.151 10.919 -10.673 130 H THR 17 H THR 17 9.847 6.550 -11.016 131 HA THR 17 HA THR 17 7.826 5.086 -9.467 132 HB THR 17 HB THR 17 8.078 3.268 -11.321 133 HG1 THR 17 HG1 THR 17 8.551 5.608 -12.871 134 HG21 THR 17 3HG2 THR 17 6.168 5.160 -10.750 135 HG22 THR 17 1HG2 THR 17 5.974 3.818 -11.876 136 HG23 THR 17 2HG2 THR 17 6.454 5.406 -12.473 137 H THR 18 H THR 18 9.261 4.662 -7.811 138 HA THR 18 HA THR 18 10.804 2.374 -7.923 139 HB THR 18 HB THR 18 12.446 3.332 -9.299 140 HG1 THR 18 HG1 THR 18 13.137 2.492 -7.083 141 HG21 THR 18 3HG2 THR 18 13.440 5.632 -8.167 142 HG22 THR 18 1HG2 THR 18 11.702 5.799 -7.920 143 HG23 THR 18 2HG2 THR 18 12.343 5.560 -9.546 144 H LEU 19 H LEU 19 10.225 5.489 -6.479 145 HA LEU 19 HA LEU 19 11.372 4.737 -3.929 146 HB2 LEU 19 2HB LEU 19 10.370 7.165 -5.185 147 HB3 LEU 19 3HB LEU 19 9.867 7.007 -3.504 148 HG LEU 19 HG LEU 19 11.929 8.339 -3.793 149 HD11 LEU 19 1HD1 LEU 19 11.962 5.788 -2.227 150 HD12 LEU 19 2HD1 LEU 19 11.720 7.441 -1.663 151 HD13 LEU 19 3HD1 LEU 19 13.323 6.908 -2.169 152 HD21 LEU 19 3HD2 LEU 19 13.975 7.335 -4.495 153 HD22 LEU 19 1HD2 LEU 19 12.772 7.019 -5.745 154 HD23 LEU 19 2HD2 LEU 19 13.222 5.744 -4.613 155 H SER 20 H SER 20 10.205 4.478 -1.995 156 HA SER 20 HA SER 20 7.318 4.003 -2.296 157 HB2 SER 20 2HB SER 20 8.147 2.147 -0.397 158 HB3 SER 20 3HB SER 20 7.696 1.799 -2.066 159 HG SER 20 HG SER 20 9.753 1.597 -2.600 160 H GLU 21 H GLU 21 6.231 3.797 -0.112 161 HA GLU 21 HA GLU 21 6.644 6.122 1.378 162 HB2 GLU 21 2HB GLU 21 5.273 3.632 2.393 163 HB3 GLU 21 3HB GLU 21 4.981 5.292 2.891 164 HG2 GLU 21 2HG GLU 21 4.174 5.776 0.591 165 HG3 GLU 21 3HG GLU 21 4.327 4.057 0.229 166 H ASP 22 H ASP 22 8.156 3.039 1.574 167 HA ASP 22 HA ASP 22 8.989 3.133 4.284 168 HB2 ASP 22 2HB ASP 22 9.125 1.277 2.234 169 HB3 ASP 22 3HB ASP 22 10.810 1.722 2.489 170 H ASP 23 H ASP 23 9.886 4.960 1.612 171 HA ASP 23 HA ASP 23 12.559 5.528 2.680 172 HB2 ASP 23 2HB ASP 23 11.423 6.584 0.095 173 HB3 ASP 23 3HB ASP 23 13.114 6.454 0.570 174 H THR 24 H THR 24 12.555 8.147 1.305 175 HA THR 24 HA THR 24 10.704 9.671 2.999 176 HB THR 24 HB THR 24 12.951 11.261 3.004 177 HG1 THR 24 HG1 THR 24 13.744 8.559 3.462 178 HG21 THR 24 3HG2 THR 24 12.710 9.420 5.292 179 HG22 THR 24 1HG2 THR 24 11.228 10.258 4.836 180 HG23 THR 24 2HG2 THR 24 12.673 11.182 5.246 181 H VAL 25 H VAL 25 10.690 12.032 2.366 182 HA VAL 25 HA VAL 25 10.078 12.276 -0.369 183 HB VAL 25 HB VAL 25 10.575 14.421 1.699 184 HG11 VAL 25 1HG1 VAL 25 9.651 14.576 -1.147 185 HG12 VAL 25 2HG1 VAL 25 9.146 15.781 0.039 186 HG13 VAL 25 3HG1 VAL 25 10.860 15.553 -0.314 187 HG21 VAL 25 3HG2 VAL 25 8.701 13.229 2.401 188 HG22 VAL 25 1HG2 VAL 25 8.011 14.558 1.468 189 HG23 VAL 25 2HG2 VAL 25 8.140 12.951 0.753 190 H LEU 26 H LEU 26 12.909 13.275 1.508 191 HA LEU 26 HA LEU 26 14.236 14.665 -0.539 192 HB2 LEU 26 2HB LEU 26 15.899 14.913 0.951 193 HB3 LEU 26 3HB LEU 26 14.696 14.287 2.077 194 HG LEU 26 HG LEU 26 15.780 11.973 1.394 195 HD11 LEU 26 1HD1 LEU 26 17.915 11.998 0.618 196 HD12 LEU 26 2HD1 LEU 26 18.268 13.581 1.309 197 HD13 LEU 26 3HD1 LEU 26 17.322 13.459 -0.174 198 HD21 LEU 26 3HD2 LEU 26 15.656 13.102 3.646 199 HD22 LEU 26 1HD2 LEU 26 17.231 13.810 3.285 200 HD23 LEU 26 2HD2 LEU 26 17.054 12.058 3.388 201 H ASP 27 H ASP 27 13.941 11.270 0.154 202 HA ASP 27 HA ASP 27 16.128 10.405 -1.460 203 HB2 ASP 27 2HB ASP 27 14.516 9.196 0.391 204 HB3 ASP 27 3HB ASP 27 13.897 8.518 -1.113 205 H LEU 28 H LEU 28 12.742 11.074 -2.038 206 HA LEU 28 HA LEU 28 12.739 9.904 -4.671 207 HB2 LEU 28 2HB LEU 28 10.766 10.248 -2.998 208 HB3 LEU 28 3HB LEU 28 10.686 11.855 -3.717 209 HG LEU 28 HG LEU 28 10.714 9.644 -5.652 210 HD11 LEU 28 1HD1 LEU 28 8.139 10.067 -4.209 211 HD12 LEU 28 2HD1 LEU 28 9.312 8.915 -3.573 212 HD13 LEU 28 3HD1 LEU 28 8.666 8.707 -5.201 213 HD21 LEU 28 3HD2 LEU 28 10.264 12.229 -5.878 214 HD22 LEU 28 1HD2 LEU 28 8.620 11.749 -5.457 215 HD23 LEU 28 2HD2 LEU 28 9.403 11.060 -6.880 216 H LYS 29 H LYS 29 12.638 13.206 -3.354 217 HA LYS 29 HA LYS 29 12.650 14.549 -5.820 218 HB2 LYS 29 2HB LYS 29 13.203 15.260 -2.998 219 HB3 LYS 29 3HB LYS 29 13.885 16.333 -4.214 220 HG2 LYS 29 2HG LYS 29 11.876 17.343 -3.913 221 HG3 LYS 29 3HG LYS 29 11.429 16.204 -5.185 222 HD2 LYS 29 2HD LYS 29 11.219 15.210 -2.411 223 HD3 LYS 29 3HD LYS 29 10.070 16.467 -2.877 224 HE2 LYS 29 2HE LYS 29 10.257 14.535 -4.974 225 HE3 LYS 29 3HE LYS 29 9.967 13.703 -3.447 226 HZ1 LYS 29 3HZ LYS 29 7.928 14.626 -3.225 227 HZ2 LYS 29 1HZ LYS 29 8.018 14.690 -4.914 228 HZ3 LYS 29 2HZ LYS 29 8.354 16.071 -3.996 229 H GLN 30 H GLN 30 15.362 13.932 -3.584 230 HA GLN 30 HA GLN 30 17.384 14.943 -5.216 231 HB2 GLN 30 2HB GLN 30 18.880 14.050 -3.700 232 HB3 GLN 30 3HB GLN 30 17.415 14.130 -2.730 233 HG2 GLN 30 2HG GLN 30 18.006 12.017 -2.228 234 HG3 GLN 30 3HG GLN 30 17.123 11.671 -3.714 235 HE21 GLN 30 1HE2 GLN 30 20.379 12.576 -2.634 236 HE22 GLN 30 2HE2 GLN 30 21.217 11.541 -3.734 237 H PHE 31 H PHE 31 15.602 12.008 -5.432 238 HA PHE 31 HA PHE 31 17.527 10.583 -7.016 239 HB2 PHE 31 2HB PHE 31 15.998 9.268 -5.730 240 HB3 PHE 31 3HB PHE 31 14.608 10.104 -6.415 241 HD1 PHE 31 HD1 PHE 31 13.824 9.593 -8.651 242 HD2 PHE 31 HD2 PHE 31 17.148 7.544 -6.958 243 HE1 PHE 31 HE1 PHE 31 13.651 7.873 -10.401 244 HE2 PHE 31 HE2 PHE 31 16.981 5.821 -8.705 245 HZ PHE 31 HZ PHE 31 15.231 5.984 -10.431 246 H LEU 32 H LEU 32 14.355 12.048 -7.732 247 HA LEU 32 HA LEU 32 14.575 11.718 -10.536 248 HB2 LEU 32 2HB LEU 32 12.700 13.369 -10.615 249 HB3 LEU 32 3HB LEU 32 12.411 11.955 -9.604 250 HG LEU 32 HG LEU 32 13.310 13.661 -7.736 251 HD11 LEU 32 1HD1 LEU 32 12.620 15.296 -10.046 252 HD12 LEU 32 2HD1 LEU 32 13.508 15.715 -8.582 253 HD13 LEU 32 3HD1 LEU 32 11.745 15.747 -8.583 254 HD21 LEU 32 3HD2 LEU 32 11.247 12.405 -7.603 255 HD22 LEU 32 1HD2 LEU 32 10.492 13.464 -8.794 256 HD23 LEU 32 2HD2 LEU 32 10.941 14.098 -7.210 257 H LYS 33 H LYS 33 15.256 14.423 -8.362 258 HA LYS 33 HA LYS 33 15.770 16.407 -10.231 259 HB2 LYS 33 2HB LYS 33 15.999 17.466 -8.274 260 HB3 LYS 33 3HB LYS 33 16.305 15.957 -7.425 261 HG2 LYS 33 2HG LYS 33 18.474 17.231 -9.034 262 HG3 LYS 33 3HG LYS 33 18.097 17.827 -7.416 263 HD2 LYS 33 2HD LYS 33 18.901 15.965 -6.397 264 HD3 LYS 33 3HD LYS 33 18.397 14.899 -7.710 265 HE2 LYS 33 2HE LYS 33 20.532 14.834 -8.339 266 HE3 LYS 33 3HE LYS 33 20.352 16.514 -8.841 267 HZ1 LYS 33 3HZ LYS 33 22.188 16.482 -7.415 268 HZ2 LYS 33 1HZ LYS 33 21.426 15.476 -6.288 269 HZ3 LYS 33 2HZ LYS 33 20.929 17.083 -6.459 270 H THR 34 H THR 34 17.681 13.652 -9.324 271 HA THR 34 HA THR 34 20.119 14.618 -10.512 272 HB THR 34 HB THR 34 19.604 12.670 -8.679 273 HG1 THR 34 HG1 THR 34 21.866 12.082 -9.133 274 HG21 THR 34 3HG2 THR 34 19.978 10.518 -9.570 275 HG22 THR 34 1HG2 THR 34 20.443 11.162 -11.145 276 HG23 THR 34 2HG2 THR 34 18.761 11.245 -10.619 277 H LEU 35 H LEU 35 17.310 12.917 -11.582 278 HA LEU 35 HA LEU 35 18.510 11.737 -13.902 279 HB2 LEU 35 2HB LEU 35 15.582 12.292 -13.564 280 HB3 LEU 35 3HB LEU 35 16.359 10.996 -14.470 281 HG LEU 35 HG LEU 35 16.259 11.220 -11.462 282 HD11 LEU 35 1HD1 LEU 35 14.948 9.010 -12.921 283 HD12 LEU 35 2HD1 LEU 35 14.170 10.589 -13.006 284 HD13 LEU 35 3HD1 LEU 35 14.469 9.838 -11.440 285 HD21 LEU 35 3HD2 LEU 35 17.206 8.924 -13.168 286 HD22 LEU 35 1HD2 LEU 35 17.273 9.060 -11.410 287 HD23 LEU 35 2HD2 LEU 35 18.282 10.102 -12.415 288 H THR 36 H THR 36 16.115 14.356 -13.517 289 HA THR 36 HA THR 36 17.320 15.696 -15.837 290 HB THR 36 HB THR 36 15.385 14.605 -16.755 291 HG1 THR 36 HG1 THR 36 15.763 16.876 -17.285 292 HG21 THR 36 3HG2 THR 36 13.679 15.975 -14.683 293 HG22 THR 36 1HG2 THR 36 14.244 14.313 -14.518 294 HG23 THR 36 2HG2 THR 36 13.188 14.756 -15.859 295 H GLY 37 H GLY 37 15.594 15.862 -12.819 296 HA2 GLY 37 2HA GLY 37 15.018 18.626 -12.797 297 HA3 GLY 37 3HA GLY 37 15.167 17.598 -11.379 298 H VAL 38 H VAL 38 16.030 19.859 -10.719 299 HA VAL 38 HA VAL 38 18.925 19.968 -11.260 300 HB VAL 38 HB VAL 38 18.062 22.029 -11.960 301 HG11 VAL 38 1HG1 VAL 38 16.193 21.689 -9.680 302 HG12 VAL 38 2HG1 VAL 38 16.600 23.334 -10.172 303 HG13 VAL 38 3HG1 VAL 38 15.880 22.217 -11.333 304 HG21 VAL 38 3HG2 VAL 38 18.857 22.501 -9.089 305 HG22 VAL 38 1HG2 VAL 38 19.987 22.211 -10.411 306 HG23 VAL 38 2HG2 VAL 38 18.968 23.650 -10.422 307 H LEU 39 H LEU 39 20.361 20.024 -9.578 308 HA LEU 39 HA LEU 39 19.697 18.777 -7.180 309 HB2 LEU 39 2HB LEU 39 21.933 19.917 -6.422 310 HB3 LEU 39 3HB LEU 39 21.928 18.623 -7.619 311 HG LEU 39 HG LEU 39 23.422 20.650 -8.053 312 HD11 LEU 39 1HD1 LEU 39 21.932 18.969 -9.763 313 HD12 LEU 39 2HD1 LEU 39 23.463 19.780 -10.089 314 HD13 LEU 39 3HD1 LEU 39 21.941 20.578 -10.485 315 HD21 LEU 39 3HD2 LEU 39 22.265 22.520 -9.208 316 HD22 LEU 39 1HD2 LEU 39 21.892 22.413 -7.488 317 HD23 LEU 39 2HD2 LEU 39 20.724 21.842 -8.680 318 HA PRO 40 HA PRO 40 17.970 21.909 -4.628 319 HB2 PRO 40 2HB PRO 40 18.752 21.027 -2.182 320 HB3 PRO 40 3HB PRO 40 17.488 20.235 -3.130 321 HG2 PRO 40 2HG PRO 40 20.373 19.495 -2.827 322 HG3 PRO 40 3HG PRO 40 18.942 18.447 -2.820 323 HD2 PRO 40 2HD PRO 40 20.530 18.730 -4.994 324 HD3 PRO 40 3HD PRO 40 18.784 18.436 -5.119 325 H GLU 41 H GLU 41 21.380 21.242 -4.559 326 HA GLU 41 HA GLU 41 22.297 23.140 -2.753 327 HB2 GLU 41 2HB GLU 41 23.807 21.521 -3.696 328 HB3 GLU 41 3HB GLU 41 23.537 22.142 -5.319 329 HG2 GLU 41 2HG GLU 41 25.046 23.765 -5.078 330 HG3 GLU 41 3HG GLU 41 24.506 24.157 -3.446 331 H ARG 42 H ARG 42 21.372 23.508 -6.137 332 HA ARG 42 HA ARG 42 21.863 26.398 -5.940 333 HB2 ARG 42 2HB ARG 42 21.828 24.449 -8.183 334 HB3 ARG 42 3HB ARG 42 21.264 26.077 -8.531 335 HG2 ARG 42 2HG ARG 42 23.380 26.647 -8.844 336 HG3 ARG 42 3HG ARG 42 23.625 26.439 -7.109 337 HD2 ARG 42 2HD ARG 42 24.281 24.145 -7.426 338 HD3 ARG 42 3HD ARG 42 23.881 24.228 -9.141 339 HE ARG 42 HE ARG 42 26.299 25.093 -7.902 340 HH11 ARG 42 1HH1 ARG 42 24.117 25.733 -10.538 341 HH12 ARG 42 2HH1 ARG 42 25.331 26.457 -11.539 342 HH21 ARG 42 1HH2 ARG 42 27.907 26.045 -9.211 343 HH22 ARG 42 2HH2 ARG 42 27.487 26.633 -10.784 344 H GLN 43 H GLN 43 19.400 24.013 -6.806 345 HA GLN 43 HA GLN 43 17.389 26.125 -7.003 346 HB2 GLN 43 2HB GLN 43 15.999 24.574 -8.085 347 HB3 GLN 43 3HB GLN 43 17.609 24.210 -8.691 348 HG2 GLN 43 2HG GLN 43 17.270 22.104 -8.117 349 HG3 GLN 43 3HG GLN 43 17.314 22.614 -6.430 350 HE21 GLN 43 1HE2 GLN 43 14.916 24.134 -6.484 351 HE22 GLN 43 2HE2 GLN 43 13.598 23.025 -6.606 352 H LYS 44 H LYS 44 15.338 25.888 -5.880 353 HA LYS 44 HA LYS 44 15.537 24.358 -3.375 354 HB2 LYS 44 2HB LYS 44 14.894 26.161 -2.057 355 HB3 LYS 44 3HB LYS 44 15.982 26.910 -3.218 356 HG2 LYS 44 2HG LYS 44 12.976 26.907 -3.400 357 HG3 LYS 44 3HG LYS 44 13.970 28.248 -2.826 358 HD2 LYS 44 2HD LYS 44 15.127 27.706 -5.230 359 HD3 LYS 44 3HD LYS 44 13.435 27.325 -5.562 360 HE2 LYS 44 2HE LYS 44 12.764 29.481 -5.327 361 HE3 LYS 44 3HE LYS 44 13.972 29.837 -4.094 362 HZ1 LYS 44 3HZ LYS 44 14.184 29.993 -7.004 363 HZ2 LYS 44 1HZ LYS 44 15.568 29.527 -6.149 364 HZ3 LYS 44 2HZ LYS 44 14.829 31.011 -5.816 365 H LEU 45 H LEU 45 13.655 23.450 -2.621 366 HA LEU 45 HA LEU 45 11.612 22.941 -4.515 367 HB2 LEU 45 2HB LEU 45 11.909 22.358 -1.586 368 HB3 LEU 45 3HB LEU 45 10.446 21.931 -2.471 369 HG LEU 45 HG LEU 45 11.859 19.995 -2.277 370 HD11 LEU 45 1HD1 LEU 45 12.029 21.072 -5.087 371 HD12 LEU 45 2HD1 LEU 45 10.596 20.334 -4.373 372 HD13 LEU 45 3HD1 LEU 45 12.061 19.378 -4.597 373 HD21 LEU 45 3HD2 LEU 45 14.103 19.888 -2.913 374 HD22 LEU 45 1HD2 LEU 45 13.973 21.428 -2.064 375 HD23 LEU 45 2HD2 LEU 45 14.013 21.394 -3.827 376 H LEU 46 H LEU 46 9.627 23.811 -4.791 377 HA LEU 46 HA LEU 46 9.086 26.332 -3.466 378 HB2 LEU 46 2HB LEU 46 7.727 24.859 -5.710 379 HB3 LEU 46 3HB LEU 46 7.126 26.378 -5.049 380 HG LEU 46 HG LEU 46 9.524 27.243 -5.648 381 HD11 LEU 46 1HD1 LEU 46 10.835 25.947 -6.884 382 HD12 LEU 46 2HD1 LEU 46 9.525 25.584 -8.006 383 HD13 LEU 46 3HD1 LEU 46 9.729 24.615 -6.546 384 HD21 LEU 46 3HD2 LEU 46 8.605 28.245 -7.489 385 HD22 LEU 46 1HD2 LEU 46 7.142 27.679 -6.682 386 HD23 LEU 46 2HD2 LEU 46 7.811 26.768 -8.036 387 H GLY 47 H GLY 47 7.279 23.303 -4.029 388 HA2 GLY 47 2HA GLY 47 5.524 24.007 -1.781 389 HA3 GLY 47 3HA GLY 47 5.185 22.795 -3.007 390 H LEU 48 H LEU 48 7.919 23.356 -0.790 391 HA LEU 48 HA LEU 48 8.430 20.630 -0.359 392 HB2 LEU 48 2HB LEU 48 9.833 21.354 1.485 393 HB3 LEU 48 3HB LEU 48 10.074 22.374 0.069 394 HG LEU 48 HG LEU 48 8.323 23.914 1.312 395 HD11 LEU 48 1HD1 LEU 48 8.881 23.825 3.785 396 HD12 LEU 48 2HD1 LEU 48 9.488 22.197 3.485 397 HD13 LEU 48 3HD1 LEU 48 7.795 22.577 3.174 398 HD21 LEU 48 3HD2 LEU 48 10.115 25.219 1.300 399 HD22 LEU 48 1HD2 LEU 48 11.144 23.805 1.073 400 HD23 LEU 48 2HD2 LEU 48 10.763 24.366 2.701 401 H LYS 49 H LYS 49 5.972 22.642 0.849 402 HA LYS 49 HA LYS 49 5.354 20.690 2.969 403 HB2 LYS 49 2HB LYS 49 3.840 22.856 3.619 404 HB3 LYS 49 3HB LYS 49 5.430 22.516 4.289 405 HG2 LYS 49 2HG LYS 49 6.467 23.974 2.666 406 HG3 LYS 49 3HG LYS 49 4.909 24.256 1.887 407 HD2 LYS 49 2HD LYS 49 4.070 25.291 3.939 408 HD3 LYS 49 3HD LYS 49 5.624 25.000 4.725 409 HE2 LYS 49 2HE LYS 49 6.720 26.578 3.414 410 HE3 LYS 49 3HE LYS 49 5.476 26.548 2.166 411 HZ1 LYS 49 3HZ LYS 49 3.988 27.720 3.600 412 HZ2 LYS 49 1HZ LYS 49 5.447 28.575 3.551 413 HZ3 LYS 49 2HZ LYS 49 5.067 27.628 4.900 414 H VAL 50 H VAL 50 3.288 19.872 3.110 415 HA VAL 50 HA VAL 50 1.283 20.785 1.190 416 HB VAL 50 HB VAL 50 2.557 18.941 0.095 417 HG11 VAL 50 1HG1 VAL 50 1.278 16.920 1.827 418 HG12 VAL 50 2HG1 VAL 50 2.835 16.885 0.997 419 HG13 VAL 50 3HG1 VAL 50 2.660 17.776 2.510 420 HG21 VAL 50 3HG2 VAL 50 -0.204 19.332 0.276 421 HG22 VAL 50 1HG2 VAL 50 0.675 18.490 -1.000 422 HG23 VAL 50 2HG2 VAL 50 0.030 17.587 0.370 423 H LYS 51 H LYS 51 -0.831 20.389 1.801 424 HA LYS 51 HA LYS 51 -2.554 20.141 3.268 425 HB2 LYS 51 2HB LYS 51 -0.942 17.744 4.164 426 HB3 LYS 51 3HB LYS 51 -2.645 18.021 4.505 427 HG2 LYS 51 2HG LYS 51 -2.499 18.226 1.758 428 HG3 LYS 51 3HG LYS 51 -1.374 16.921 2.142 429 HD2 LYS 51 2HD LYS 51 -4.029 16.916 3.481 430 HD3 LYS 51 3HD LYS 51 -3.961 16.477 1.772 431 HE2 LYS 51 2HE LYS 51 -3.327 14.433 2.362 432 HE3 LYS 51 3HE LYS 51 -1.846 15.116 3.032 433 HZ1 LYS 51 3HZ LYS 51 -3.078 15.484 5.126 434 HZ2 LYS 51 1HZ LYS 51 -2.942 13.849 4.714 435 HZ3 LYS 51 2HZ LYS 51 -4.404 14.664 4.468 436 H GLY 52 H GLY 52 -0.305 21.804 4.073 437 HA2 GLY 52 2HA GLY 52 -0.001 23.148 5.949 438 HA3 GLY 52 3HA GLY 52 -0.995 22.033 6.875 439 H LYS 53 H LYS 53 0.974 19.945 5.543 440 HA LYS 53 HA LYS 53 2.689 19.808 7.859 441 HB2 LYS 53 2HB LYS 53 2.381 18.051 5.424 442 HB3 LYS 53 3HB LYS 53 3.556 17.732 6.693 443 HG2 LYS 53 2HG LYS 53 0.580 17.915 7.113 444 HG3 LYS 53 3HG LYS 53 1.489 16.413 6.927 445 HD2 LYS 53 2HD LYS 53 2.068 16.436 9.076 446 HD3 LYS 53 3HD LYS 53 2.708 18.074 8.933 447 HE2 LYS 53 2HE LYS 53 0.242 18.811 9.052 448 HE3 LYS 53 3HE LYS 53 -0.061 17.186 9.665 449 HZ1 LYS 53 3HZ LYS 53 1.012 17.615 11.603 450 HZ2 LYS 53 1HZ LYS 53 0.494 19.188 11.259 451 HZ3 LYS 53 2HZ LYS 53 2.084 18.728 10.915 452 HA PRO 54 HA PRO 54 6.255 21.765 6.203 453 HB2 PRO 54 2HB PRO 54 8.215 20.398 7.492 454 HB3 PRO 54 3HB PRO 54 7.174 21.575 8.300 455 HG2 PRO 54 2HG PRO 54 6.979 18.588 8.258 456 HG3 PRO 54 3HG PRO 54 6.771 19.703 9.620 457 HD2 PRO 54 2HD PRO 54 4.675 18.616 8.296 458 HD3 PRO 54 3HD PRO 54 4.611 20.236 9.018 459 H ALA 55 H ALA 55 6.110 18.243 6.103 460 HA ALA 55 HA ALA 55 7.234 16.718 4.779 461 HB1 ALA 55 1HB ALA 55 5.394 17.079 3.394 462 HB2 ALA 55 2HB ALA 55 5.938 18.693 2.933 463 HB3 ALA 55 3HB ALA 55 6.775 17.270 2.313 464 H GLU 56 H GLU 56 9.131 18.408 5.840 465 HA GLU 56 HA GLU 56 10.768 19.750 4.015 466 HB2 GLU 56 2HB GLU 56 11.047 20.035 6.404 467 HB3 GLU 56 3HB GLU 56 11.484 18.343 6.591 468 HG2 GLU 56 2HG GLU 56 13.605 18.900 6.350 469 HG3 GLU 56 3HG GLU 56 13.260 19.403 4.696 470 H ASN 57 H ASN 57 11.862 16.763 5.574 471 HA ASN 57 HA ASN 57 12.322 15.452 3.043 472 HB2 ASN 57 2HB ASN 57 14.840 15.158 3.868 473 HB3 ASN 57 3HB ASN 57 14.350 16.500 2.839 474 HD21 ASN 57 1HD2 ASN 57 15.453 18.214 3.447 475 HD22 ASN 57 2HD2 ASN 57 15.664 18.761 5.073 476 H ASP 58 H ASP 58 12.808 15.510 6.534 477 HA ASP 58 HA ASP 58 13.396 12.770 6.859 478 HB2 ASP 58 2HB ASP 58 12.575 15.006 8.631 479 HB3 ASP 58 3HB ASP 58 12.295 13.376 9.236 480 H VAL 59 H VAL 59 10.573 14.271 5.874 481 HA VAL 59 HA VAL 59 8.695 12.463 7.097 482 HB VAL 59 HB VAL 59 8.200 14.258 4.724 483 HG11 VAL 59 1HG1 VAL 59 6.452 12.641 5.097 484 HG12 VAL 59 2HG1 VAL 59 6.381 13.059 6.810 485 HG13 VAL 59 3HG1 VAL 59 5.881 14.234 5.593 486 HG21 VAL 59 3HG2 VAL 59 8.657 15.978 6.072 487 HG22 VAL 59 1HG2 VAL 59 7.190 15.541 6.949 488 HG23 VAL 59 2HG2 VAL 59 8.756 14.941 7.494 489 H LYS 60 H LYS 60 7.580 10.784 6.120 490 HA LYS 60 HA LYS 60 8.970 9.539 3.882 491 HB2 LYS 60 2HB LYS 60 6.817 8.516 5.740 492 HB3 LYS 60 3HB LYS 60 7.523 7.573 4.434 493 HG2 LYS 60 2HG LYS 60 9.772 8.064 5.580 494 HG3 LYS 60 3HG LYS 60 8.790 8.506 6.978 495 HD2 LYS 60 2HD LYS 60 7.642 6.207 6.559 496 HD3 LYS 60 3HD LYS 60 9.110 5.844 5.649 497 HE2 LYS 60 2HE LYS 60 10.189 6.860 7.895 498 HE3 LYS 60 3HE LYS 60 8.703 6.178 8.555 499 HZ1 LYS 60 3HZ LYS 60 9.297 4.046 7.884 500 HZ2 LYS 60 1HZ LYS 60 10.752 4.693 8.457 501 HZ3 LYS 60 2HZ LYS 60 10.468 4.594 6.793 502 H LEU 61 H LEU 61 7.877 8.750 2.024 503 HA LEU 61 HA LEU 61 6.204 10.511 0.740 504 HB2 LEU 61 2HB LEU 61 6.132 7.552 0.228 505 HB3 LEU 61 3HB LEU 61 5.877 8.862 -0.922 506 HG LEU 61 HG LEU 61 8.497 8.067 0.346 507 HD11 LEU 61 1HD1 LEU 61 7.861 8.048 -2.575 508 HD12 LEU 61 2HD1 LEU 61 7.414 6.682 -1.554 509 HD13 LEU 61 3HD1 LEU 61 9.105 7.162 -1.693 510 HD21 LEU 61 3HD2 LEU 61 9.502 9.774 -1.064 511 HD22 LEU 61 1HD2 LEU 61 8.330 10.495 0.040 512 HD23 LEU 61 2HD2 LEU 61 7.908 10.248 -1.655 513 H GLY 62 H GLY 62 5.282 7.560 2.498 514 HA2 GLY 62 2HA GLY 62 2.471 8.000 2.073 515 HA3 GLY 62 3HA GLY 62 3.192 6.777 3.109 516 H ALA 63 H ALA 63 4.734 9.301 4.218 517 HA ALA 63 HA ALA 63 2.958 9.641 6.459 518 HB1 ALA 63 1HB ALA 63 5.385 9.453 6.769 519 HB2 ALA 63 2HB ALA 63 5.607 10.967 5.891 520 HB3 ALA 63 3HB ALA 63 4.751 10.959 7.432 521 H LEU 64 H LEU 64 3.912 11.488 3.648 522 HA LEU 64 HA LEU 64 2.755 13.953 4.570 523 HB2 LEU 64 2HB LEU 64 3.230 13.457 1.682 524 HB3 LEU 64 3HB LEU 64 3.552 14.895 2.649 525 HG LEU 64 HG LEU 64 5.262 12.709 3.448 526 HD11 LEU 64 1HD1 LEU 64 6.451 12.257 1.508 527 HD12 LEU 64 2HD1 LEU 64 5.757 13.627 0.642 528 HD13 LEU 64 3HD1 LEU 64 4.773 12.200 0.967 529 HD21 LEU 64 3HD2 LEU 64 6.959 14.357 3.245 530 HD22 LEU 64 1HD2 LEU 64 5.524 15.175 3.863 531 HD23 LEU 64 2HD2 LEU 64 5.969 15.340 2.164 532 H LYS 65 H LYS 65 1.644 11.138 2.913 533 HA LYS 65 HA LYS 65 -0.409 10.496 2.173 534 HB2 LYS 65 2HB LYS 65 -1.495 12.977 3.504 535 HB3 LYS 65 3HB LYS 65 -2.357 11.486 3.146 536 HG2 LYS 65 2HG LYS 65 -0.070 11.701 5.091 537 HG3 LYS 65 3HG LYS 65 -1.777 11.764 5.536 538 HD2 LYS 65 2HD LYS 65 -2.119 9.526 4.678 539 HD3 LYS 65 3HD LYS 65 -0.451 9.463 4.102 540 HE2 LYS 65 2HE LYS 65 -0.161 8.377 6.073 541 HE3 LYS 65 3HE LYS 65 0.023 10.029 6.663 542 HZ1 LYS 65 3HZ LYS 65 -2.545 9.838 6.965 543 HZ2 LYS 65 1HZ LYS 65 -1.498 9.199 8.131 544 HZ3 LYS 65 2HZ LYS 65 -2.228 8.177 6.997 545 H LEU 66 H LEU 66 1.240 12.117 0.497 546 HA LEU 66 HA LEU 66 -0.547 13.951 -0.872 547 HB2 LEU 66 2HB LEU 66 2.315 13.423 -0.808 548 HB3 LEU 66 3HB LEU 66 1.704 13.673 -2.442 549 HG LEU 66 HG LEU 66 1.404 15.606 -0.144 550 HD11 LEU 66 1HD1 LEU 66 3.347 15.394 -2.405 551 HD12 LEU 66 2HD1 LEU 66 3.642 15.753 -0.704 552 HD13 LEU 66 3HD1 LEU 66 2.910 16.972 -1.748 553 HD21 LEU 66 3HD2 LEU 66 -0.254 16.452 -1.364 554 HD22 LEU 66 1HD2 LEU 66 0.101 15.382 -2.720 555 HD23 LEU 66 2HD2 LEU 66 0.968 16.909 -2.552 556 H LYS 67 H LYS 67 -1.114 13.751 -3.091 557 HA LYS 67 HA LYS 67 -1.918 11.133 -3.836 558 HB2 LYS 67 2HB LYS 67 -2.238 13.858 -4.866 559 HB3 LYS 67 3HB LYS 67 -2.161 12.636 -6.129 560 HG2 LYS 67 2HG LYS 67 -4.420 12.771 -5.693 561 HG3 LYS 67 3HG LYS 67 -3.925 11.393 -4.707 562 HD2 LYS 67 2HD LYS 67 -4.472 12.433 -2.804 563 HD3 LYS 67 3HD LYS 67 -3.679 13.930 -3.300 564 HE2 LYS 67 2HE LYS 67 -5.831 13.979 -4.916 565 HE3 LYS 67 3HE LYS 67 -6.502 13.098 -3.545 566 HZ1 LYS 67 3HZ LYS 67 -6.139 15.836 -3.779 567 HZ2 LYS 67 1HZ LYS 67 -5.019 15.314 -2.624 568 HZ3 LYS 67 2HZ LYS 67 -6.664 14.980 -2.417 569 HA PRO 68 HA PRO 68 1.426 9.636 -6.250 570 HB2 PRO 68 2HB PRO 68 0.158 8.444 -8.333 571 HB3 PRO 68 3HB PRO 68 0.150 7.778 -6.696 572 HG2 PRO 68 2HG PRO 68 -1.947 9.392 -8.094 573 HG3 PRO 68 3HG PRO 68 -2.138 7.956 -7.072 574 HD2 PRO 68 2HD PRO 68 -2.587 10.464 -6.157 575 HD3 PRO 68 3HD PRO 68 -1.961 9.167 -5.119 576 H ASN 69 H ASN 69 -1.014 11.470 -8.037 577 HA ASN 69 HA ASN 69 0.740 12.008 -10.252 578 HB2 ASN 69 2HB ASN 69 -1.837 13.435 -9.580 579 HB3 ASN 69 3HB ASN 69 -1.061 13.301 -11.155 580 HD21 ASN 69 1HD2 ASN 69 -0.537 10.768 -11.532 581 HD22 ASN 69 2HD2 ASN 69 -1.954 9.784 -11.435 582 H THR 70 H THR 70 0.267 13.330 -7.160 583 HA THR 70 HA THR 70 0.533 15.969 -7.169 584 HB THR 70 HB THR 70 2.325 14.075 -5.643 585 HG1 THR 70 HG1 THR 70 0.669 13.950 -4.324 586 HG21 THR 70 3HG2 THR 70 2.048 17.051 -5.535 587 HG22 THR 70 1HG2 THR 70 3.500 16.058 -5.427 588 HG23 THR 70 2HG2 THR 70 2.391 16.149 -4.059 589 H LYS 71 H LYS 71 1.629 17.414 -8.306 590 HA LYS 71 HA LYS 71 4.070 16.625 -9.686 591 HB2 LYS 71 2HB LYS 71 2.682 19.295 -9.861 592 HB3 LYS 71 3HB LYS 71 3.791 18.574 -11.019 593 HG2 LYS 71 2HG LYS 71 1.973 17.951 -12.136 594 HG3 LYS 71 3HG LYS 71 1.765 16.725 -10.884 595 HD2 LYS 71 2HD LYS 71 0.492 18.532 -9.590 596 HD3 LYS 71 3HD LYS 71 0.445 19.414 -11.118 597 HE2 LYS 71 2HE LYS 71 -0.327 16.700 -11.571 598 HE3 LYS 71 3HE LYS 71 -1.271 17.352 -10.233 599 HZ1 LYS 71 3HZ LYS 71 -0.961 18.772 -12.814 600 HZ2 LYS 71 1HZ LYS 71 -2.073 19.091 -11.580 601 HZ3 LYS 71 2HZ LYS 71 -2.225 17.689 -12.513 602 H ILE 72 H ILE 72 6.048 17.675 -9.465 603 HA ILE 72 HA ILE 72 6.320 19.299 -7.021 604 HB ILE 72 HB ILE 72 8.397 17.501 -8.276 605 HG12 ILE 72 2HG1 ILE 72 6.625 16.187 -7.254 606 HG13 ILE 72 3HG1 ILE 72 8.070 16.108 -6.252 607 HG21 ILE 72 1HG2 ILE 72 8.481 19.540 -6.162 608 HG22 ILE 72 2HG2 ILE 72 9.257 18.009 -5.762 609 HG23 ILE 72 3HG2 ILE 72 9.770 18.911 -7.187 610 HD11 ILE 72 3HD1 ILE 72 6.212 16.355 -4.808 611 HD12 ILE 72 1HD1 ILE 72 7.061 17.901 -4.827 612 HD13 ILE 72 2HD1 ILE 72 5.573 17.700 -5.753 613 H MET 73 H MET 73 7.116 21.292 -7.219 614 HA MET 73 HA MET 73 8.116 22.123 -9.845 615 HB2 MET 73 2HB MET 73 7.075 23.713 -7.497 616 HB3 MET 73 3HB MET 73 7.746 24.442 -8.950 617 HG2 MET 73 2HG MET 73 5.981 23.674 -10.285 618 HG3 MET 73 3HG MET 73 5.444 22.527 -9.060 619 HE1 MET 73 3HE MET 73 2.705 24.233 -9.765 620 HE2 MET 73 1HE MET 73 3.307 22.836 -8.872 621 HE3 MET 73 2HE MET 73 2.475 24.136 -8.018 622 H MET 74 H MET 74 10.090 23.110 -10.125 623 HA MET 74 HA MET 74 11.833 23.334 -7.772 624 HB2 MET 74 2HB MET 74 12.629 22.066 -10.399 625 HB3 MET 74 3HB MET 74 13.686 22.326 -9.018 626 HG2 MET 74 2HG MET 74 12.713 20.650 -7.781 627 HG3 MET 74 3HG MET 74 11.200 20.721 -8.681 628 HE1 MET 74 3HE MET 74 14.143 17.550 -9.066 629 HE2 MET 74 1HE MET 74 14.196 18.887 -7.917 630 HE3 MET 74 2HE MET 74 12.774 17.846 -7.993 631 H MET 75 H MET 75 13.028 25.146 -7.711 632 HA MET 75 HA MET 75 13.211 26.757 -10.170 633 HB2 MET 75 2HB MET 75 12.738 27.734 -7.350 634 HB3 MET 75 3HB MET 75 13.053 28.777 -8.729 635 HG2 MET 75 2HG MET 75 10.863 26.912 -9.177 636 HG3 MET 75 3HG MET 75 10.589 28.006 -7.822 637 HE1 MET 75 3HE MET 75 10.426 28.225 -12.058 638 HE2 MET 75 1HE MET 75 9.671 27.234 -10.809 639 HE3 MET 75 2HE MET 75 8.882 28.713 -11.357 640 H GLY 76 H GLY 76 15.228 27.182 -10.777 641 HA2 GLY 76 2HA GLY 76 17.301 28.254 -9.471 642 HA3 GLY 76 3HA GLY 76 17.420 26.575 -8.967 643 H THR 77 H THR 77 19.474 26.456 -9.989 644 HA THR 77 HA THR 77 19.263 26.064 -12.897 645 HB THR 77 HB THR 77 20.420 28.128 -12.749 646 HG1 THR 77 HG1 THR 77 21.526 26.906 -14.192 647 HG21 THR 77 3HG2 THR 77 22.734 27.646 -11.238 648 HG22 THR 77 1HG2 THR 77 21.392 27.044 -10.266 649 HG23 THR 77 2HG2 THR 77 21.392 28.715 -10.830 650 H ARG 78 H ARG 78 20.184 24.240 -13.661 651 HA ARG 78 HA ARG 78 21.351 22.419 -11.704 652 HB2 ARG 78 2HB ARG 78 21.121 20.746 -13.584 653 HB3 ARG 78 3HB ARG 78 19.614 21.430 -12.989 654 HG2 ARG 78 2HG ARG 78 20.773 22.922 -15.212 655 HG3 ARG 78 3HG ARG 78 20.358 21.254 -15.610 656 HD2 ARG 78 2HD ARG 78 18.094 21.580 -14.921 657 HD3 ARG 78 3HD ARG 78 18.471 23.165 -14.248 658 HE ARG 78 HE ARG 78 18.193 24.045 -16.330 659 HH11 ARG 78 1HH1 ARG 78 18.835 20.638 -16.646 660 HH12 ARG 78 2HH1 ARG 78 18.591 20.619 -18.362 661 HH21 ARG 78 1HH2 ARG 78 17.869 24.032 -18.588 662 HH22 ARG 78 2HH2 ARG 78 18.043 22.550 -19.465 663 H GLU 79 H GLU 79 23.346 21.395 -11.983 664 HA GLU 79 HA GLU 79 25.450 22.947 -12.905 665 HB2 GLU 79 2HB GLU 79 26.863 21.057 -12.530 666 HB3 GLU 79 3HB GLU 79 25.602 21.020 -11.305 667 HG2 GLU 79 2HG GLU 79 24.430 19.290 -12.482 668 HG3 GLU 79 3HG GLU 79 25.549 19.399 -13.839 669 H GLU 80 H GLU 80 27.070 22.259 -14.602 670 HA GLU 80 HA GLU 80 25.636 21.883 -17.113 671 HB2 GLU 80 2HB GLU 80 27.755 23.516 -16.346 672 HB3 GLU 80 3HB GLU 80 28.509 22.276 -17.339 673 HG2 GLU 80 2HG GLU 80 26.114 23.179 -18.607 674 HG3 GLU 80 3HG GLU 80 27.118 24.564 -18.181 675 H SER 81 H SER 81 25.342 19.831 -17.696 676 HA SER 81 HA SER 81 27.167 17.743 -16.940 677 HB2 SER 81 2HB SER 81 24.625 17.834 -18.547 678 HB3 SER 81 3HB SER 81 25.609 16.372 -18.490 679 HG SER 81 HG SER 81 24.082 16.279 -16.856 680 HN1 NH2 90 H1 NH2 90 27.807 17.007 -20.670 Start of MODEL 11 1 H1 MET 1 H MET 1 3.694 -0.934 0.315 2 HA MET 1 HA MET 1 4.107 -1.157 -2.002 3 HB2 MET 1 2HB MET 1 1.593 0.474 -2.392 4 HB3 MET 1 3HB MET 1 2.555 -0.284 -3.654 5 HG2 MET 1 2HG MET 1 1.944 -2.382 -1.982 6 HG3 MET 1 3HG MET 1 0.480 -1.402 -1.962 7 HE1 MET 1 3HE MET 1 -0.873 -3.480 -3.069 8 HE2 MET 1 1HE MET 1 -0.293 -4.325 -4.504 9 HE3 MET 1 2HE MET 1 0.637 -4.390 -3.007 10 H ALA 2 H ALA 2 4.655 0.569 -3.724 11 HA ALA 2 HA ALA 2 5.867 2.805 -2.303 12 HB1 ALA 2 1HB ALA 2 7.552 2.427 -3.692 13 HB2 ALA 2 2HB ALA 2 6.607 1.188 -4.521 14 HB3 ALA 2 3HB ALA 2 6.524 2.866 -5.057 15 H LEU 3 H LEU 3 5.673 4.978 -2.994 16 HA LEU 3 HA LEU 3 3.176 5.528 -4.456 17 HB2 LEU 3 2HB LEU 3 4.343 6.612 -2.007 18 HB3 LEU 3 3HB LEU 3 3.805 7.851 -3.139 19 HG LEU 3 HG LEU 3 2.040 5.619 -2.143 20 HD11 LEU 3 1HD1 LEU 3 1.426 8.260 -1.143 21 HD12 LEU 3 2HD1 LEU 3 3.027 7.727 -0.631 22 HD13 LEU 3 3HD1 LEU 3 1.613 6.737 -0.272 23 HD21 LEU 3 3HD2 LEU 3 1.141 6.445 -4.135 24 HD22 LEU 3 1HD2 LEU 3 1.607 8.106 -3.766 25 HD23 LEU 3 2HD2 LEU 3 0.290 7.341 -2.876 26 HA PRO 4 HA PRO 4 6.068 7.176 -7.473 27 HB2 PRO 4 2HB PRO 4 4.192 7.572 -9.394 28 HB3 PRO 4 3HB PRO 4 4.899 5.988 -9.054 29 HG2 PRO 4 2HG PRO 4 2.278 7.124 -8.159 30 HG3 PRO 4 3HG PRO 4 2.645 5.497 -8.761 31 HD2 PRO 4 2HD PRO 4 2.367 6.046 -6.124 32 HD3 PRO 4 3HD PRO 4 3.472 4.794 -6.727 33 H ILE 5 H ILE 5 6.404 9.221 -8.446 34 HA ILE 5 HA ILE 5 4.507 11.355 -7.908 35 HB ILE 5 HB ILE 5 7.321 11.496 -6.819 36 HG12 ILE 5 2HG1 ILE 5 4.655 11.226 -5.417 37 HG13 ILE 5 3HG1 ILE 5 5.962 10.047 -5.429 38 HG21 ILE 5 1HG2 ILE 5 6.352 13.622 -7.702 39 HG22 ILE 5 2HG2 ILE 5 5.066 13.467 -6.506 40 HG23 ILE 5 3HG2 ILE 5 6.739 13.657 -5.982 41 HD11 ILE 5 3HD1 ILE 5 5.516 12.242 -3.658 42 HD12 ILE 5 1HD1 ILE 5 6.721 10.958 -3.566 43 HD13 ILE 5 2HD1 ILE 5 7.071 12.434 -4.467 44 H ILE 6 H ILE 6 4.613 12.971 -9.382 45 HA ILE 6 HA ILE 6 6.562 12.653 -11.536 46 HB ILE 6 HB ILE 6 3.932 14.087 -11.335 47 HG12 ILE 6 2HG1 ILE 6 4.592 12.447 -13.681 48 HG13 ILE 6 3HG1 ILE 6 4.620 11.560 -12.161 49 HG21 ILE 6 1HG2 ILE 6 5.273 15.698 -12.432 50 HG22 ILE 6 2HG2 ILE 6 6.076 14.470 -13.408 51 HG23 ILE 6 3HG2 ILE 6 4.380 14.856 -13.698 52 HD11 ILE 6 3HD1 ILE 6 2.286 13.186 -12.232 53 HD12 ILE 6 1HD1 ILE 6 2.396 12.266 -13.732 54 HD13 ILE 6 2HD1 ILE 6 2.418 11.428 -12.179 55 H VAL 7 H VAL 7 7.994 14.217 -12.152 56 HA VAL 7 HA VAL 7 8.086 16.669 -10.521 57 HB VAL 7 HB VAL 7 9.833 15.156 -9.744 58 HG11 VAL 7 1HG1 VAL 7 9.990 14.351 -12.376 59 HG12 VAL 7 2HG1 VAL 7 11.492 15.246 -12.131 60 HG13 VAL 7 3HG1 VAL 7 11.092 13.886 -11.080 61 HG21 VAL 7 3HG2 VAL 7 11.742 16.831 -10.956 62 HG22 VAL 7 1HG2 VAL 7 10.261 17.779 -10.810 63 HG23 VAL 7 2HG2 VAL 7 10.973 17.029 -9.381 64 H LYS 8 H LYS 8 8.008 18.459 -11.694 65 HA LYS 8 HA LYS 8 8.734 18.308 -14.542 66 HB2 LYS 8 2HB LYS 8 7.252 20.206 -14.893 67 HB3 LYS 8 3HB LYS 8 6.389 18.905 -14.083 68 HG2 LYS 8 2HG LYS 8 7.171 20.270 -11.934 69 HG3 LYS 8 3HG LYS 8 7.129 21.593 -13.102 70 HD2 LYS 8 2HD LYS 8 4.833 19.681 -12.793 71 HD3 LYS 8 3HD LYS 8 4.994 21.112 -11.772 72 HE2 LYS 8 2HE LYS 8 5.347 21.669 -14.614 73 HE3 LYS 8 3HE LYS 8 3.759 21.011 -14.226 74 HZ1 LYS 8 3HZ LYS 8 3.446 23.255 -13.935 75 HZ2 LYS 8 1HZ LYS 8 4.999 23.518 -13.315 76 HZ3 LYS 8 2HZ LYS 8 3.820 22.776 -12.356 77 H TRP 9 H TRP 9 10.559 19.263 -15.126 78 HA TRP 9 HA TRP 9 11.513 21.562 -13.549 79 HB2 TRP 9 2HB TRP 9 13.072 19.935 -12.980 80 HB3 TRP 9 3HB TRP 9 12.993 19.161 -14.560 81 HD1 TRP 9 HD1 TRP 9 15.121 19.509 -15.918 82 HE1 TRP 9 HE1 TRP 9 16.931 21.330 -16.098 83 HE3 TRP 9 HE3 TRP 9 13.244 22.854 -12.538 84 HZ2 TRP 9 HZ2 TRP 9 17.489 23.851 -14.957 85 HZ3 TRP 9 HZ3 TRP 9 14.477 24.946 -12.141 86 HH2 TRP 9 HH2 TRP 9 16.555 25.432 -13.325 87 H GLY 10 H GLY 10 11.085 23.278 -14.806 88 HA2 GLY 10 2HA GLY 10 11.780 24.735 -16.534 89 HA3 GLY 10 3HA GLY 10 12.323 23.342 -17.458 90 H GLY 11 H GLY 11 10.701 22.001 -18.486 91 HA2 GLY 11 2HA GLY 11 8.011 23.086 -18.684 92 HA3 GLY 11 3HA GLY 11 8.978 23.191 -20.148 93 H GLN 12 H GLN 12 9.556 20.511 -18.071 94 HA GLN 12 HA GLN 12 7.899 18.785 -19.783 95 HB2 GLN 12 2HB GLN 12 10.809 18.595 -19.163 96 HB3 GLN 12 3HB GLN 12 9.895 17.101 -19.315 97 HG2 GLN 12 2HG GLN 12 9.580 19.126 -21.454 98 HG3 GLN 12 3HG GLN 12 11.104 18.244 -21.373 99 HE21 GLN 12 1HE2 GLN 12 11.071 16.714 -22.853 100 HE22 GLN 12 2HE2 GLN 12 9.763 15.630 -23.167 101 H GLU 13 H GLU 13 7.882 16.462 -18.765 102 HA GLU 13 HA GLU 13 7.643 16.677 -15.843 103 HB2 GLU 13 2HB GLU 13 5.599 15.483 -17.723 104 HB3 GLU 13 3HB GLU 13 5.557 15.317 -15.973 105 HG2 GLU 13 2HG GLU 13 5.371 17.752 -15.758 106 HG3 GLU 13 3HG GLU 13 5.375 17.896 -17.514 107 H TYR 14 H TYR 14 8.233 14.888 -14.696 108 HA TYR 14 HA TYR 14 8.936 12.464 -16.197 109 HB2 TYR 14 2HB TYR 14 10.704 13.836 -14.162 110 HB3 TYR 14 3HB TYR 14 11.031 12.271 -14.898 111 HD1 TYR 14 HD1 TYR 14 10.550 15.869 -15.707 112 HD2 TYR 14 HD2 TYR 14 12.177 12.134 -16.935 113 HE1 TYR 14 HE1 TYR 14 11.710 16.991 -17.562 114 HE2 TYR 14 HE2 TYR 14 13.343 13.247 -18.793 115 HH TYR 14 HH TYR 14 14.193 15.673 -19.244 116 H SER 15 H SER 15 7.830 10.833 -15.366 117 HA SER 15 HA SER 15 6.764 10.964 -12.683 118 HB2 SER 15 2HB SER 15 5.764 8.726 -13.303 119 HB3 SER 15 3HB SER 15 5.301 10.065 -14.354 120 HG SER 15 HG SER 15 5.937 8.695 -15.840 121 H VAL 16 H VAL 16 7.551 9.996 -10.921 122 HA VAL 16 HA VAL 16 10.040 8.498 -11.166 123 HB VAL 16 HB VAL 16 8.603 9.556 -8.729 124 HG11 VAL 16 1HG1 VAL 16 11.039 9.065 -7.802 125 HG12 VAL 16 2HG1 VAL 16 9.766 7.842 -7.775 126 HG13 VAL 16 3HG1 VAL 16 10.988 7.817 -9.047 127 HG21 VAL 16 3HG2 VAL 16 10.660 10.631 -10.543 128 HG22 VAL 16 1HG2 VAL 16 9.485 11.471 -9.531 129 HG23 VAL 16 2HG2 VAL 16 10.973 10.845 -8.821 130 H THR 17 H THR 17 10.333 6.406 -10.500 131 HA THR 17 HA THR 17 8.148 4.943 -9.268 132 HB THR 17 HB THR 17 8.478 3.113 -11.101 133 HG1 THR 17 HG1 THR 17 9.500 3.743 -12.842 134 HG21 THR 17 3HG2 THR 17 6.919 5.246 -12.340 135 HG22 THR 17 1HG2 THR 17 6.556 5.027 -10.629 136 HG23 THR 17 2HG2 THR 17 6.403 3.669 -11.744 137 H THR 18 H THR 18 9.521 4.546 -7.545 138 HA THR 18 HA THR 18 11.031 2.233 -7.555 139 HB THR 18 HB THR 18 12.740 3.138 -8.882 140 HG1 THR 18 HG1 THR 18 13.875 2.269 -7.263 141 HG21 THR 18 3HG2 THR 18 13.718 5.450 -7.754 142 HG22 THR 18 1HG2 THR 18 11.973 5.644 -7.594 143 HG23 THR 18 2HG2 THR 18 12.687 5.360 -9.182 144 H LEU 19 H LEU 19 10.452 5.386 -6.192 145 HA LEU 19 HA LEU 19 11.472 4.643 -3.582 146 HB2 LEU 19 2HB LEU 19 10.631 7.085 -4.923 147 HB3 LEU 19 3HB LEU 19 10.040 6.979 -3.266 148 HG LEU 19 HG LEU 19 12.190 8.218 -3.534 149 HD11 LEU 19 1HD1 LEU 19 13.351 6.979 -1.679 150 HD12 LEU 19 2HD1 LEU 19 12.101 5.745 -1.823 151 HD13 LEU 19 3HD1 LEU 19 11.664 7.393 -1.376 152 HD21 LEU 19 3HD2 LEU 19 14.228 6.958 -3.929 153 HD22 LEU 19 1HD2 LEU 19 13.142 6.818 -5.311 154 HD23 LEU 19 2HD2 LEU 19 13.292 5.482 -4.169 155 H SER 20 H SER 20 10.192 4.542 -1.681 156 HA SER 20 HA SER 20 7.317 4.112 -2.126 157 HB2 SER 20 2HB SER 20 7.983 2.347 -0.086 158 HB3 SER 20 3HB SER 20 7.637 1.916 -1.761 159 HG SER 20 HG SER 20 10.177 2.458 -0.618 160 H GLU 21 H GLU 21 6.129 3.995 0.037 161 HA GLU 21 HA GLU 21 6.519 6.409 1.417 162 HB2 GLU 21 2HB GLU 21 4.971 4.009 2.402 163 HB3 GLU 21 3HB GLU 21 4.744 5.684 2.884 164 HG2 GLU 21 2HG GLU 21 3.914 6.264 0.719 165 HG3 GLU 21 3HG GLU 21 4.316 4.669 0.086 166 H ASP 22 H ASP 22 7.889 3.287 1.855 167 HA ASP 22 HA ASP 22 8.547 3.488 4.609 168 HB2 ASP 22 2HB ASP 22 8.579 1.441 2.910 169 HB3 ASP 22 3HB ASP 22 10.271 1.909 2.760 170 H ASP 23 H ASP 23 9.704 5.112 1.901 171 HA ASP 23 HA ASP 23 12.334 5.612 3.096 172 HB2 ASP 23 2HB ASP 23 11.375 6.619 0.420 173 HB3 ASP 23 3HB ASP 23 13.034 6.434 0.985 174 H THR 24 H THR 24 12.530 8.174 1.637 175 HA THR 24 HA THR 24 10.708 9.839 3.236 176 HB THR 24 HB THR 24 13.047 11.327 3.098 177 HG1 THR 24 HG1 THR 24 13.598 8.579 3.508 178 HG21 THR 24 3HG2 THR 24 11.812 11.508 5.043 179 HG22 THR 24 1HG2 THR 24 13.190 10.556 5.595 180 HG23 THR 24 2HG2 THR 24 11.657 9.762 5.233 181 H VAL 25 H VAL 25 10.884 12.208 2.502 182 HA VAL 25 HA VAL 25 10.217 12.324 -0.249 183 HB VAL 25 HB VAL 25 10.895 14.698 1.479 184 HG11 VAL 25 1HG1 VAL 25 10.433 15.712 -0.467 185 HG12 VAL 25 2HG1 VAL 25 9.650 14.281 -1.139 186 HG13 VAL 25 3HG1 VAL 25 8.752 15.359 -0.070 187 HG21 VAL 25 3HG2 VAL 25 8.209 14.514 1.670 188 HG22 VAL 25 1HG2 VAL 25 8.645 12.805 1.653 189 HG23 VAL 25 2HG2 VAL 25 9.325 13.877 2.878 190 H LEU 26 H LEU 26 13.080 13.291 1.586 191 HA LEU 26 HA LEU 26 14.444 14.582 -0.502 192 HB2 LEU 26 2HB LEU 26 16.136 14.801 0.968 193 HB3 LEU 26 3HB LEU 26 14.903 14.284 2.116 194 HG LEU 26 HG LEU 26 15.871 11.891 1.525 195 HD11 LEU 26 1HD1 LEU 26 18.426 13.398 1.383 196 HD12 LEU 26 2HD1 LEU 26 17.485 13.212 -0.096 197 HD13 LEU 26 3HD1 LEU 26 18.025 11.786 0.790 198 HD21 LEU 26 3HD2 LEU 26 17.389 13.732 3.359 199 HD22 LEU 26 1HD2 LEU 26 17.147 11.993 3.521 200 HD23 LEU 26 2HD2 LEU 26 15.787 13.096 3.735 201 H ASP 27 H ASP 27 14.059 11.216 0.301 202 HA ASP 27 HA ASP 27 16.206 10.225 -1.279 203 HB2 ASP 27 2HB ASP 27 14.885 9.040 0.607 204 HB3 ASP 27 3HB ASP 27 13.719 8.654 -0.655 205 H LEU 28 H LEU 28 12.832 10.958 -1.910 206 HA LEU 28 HA LEU 28 12.863 9.777 -4.539 207 HB2 LEU 28 2HB LEU 28 10.859 10.074 -2.939 208 HB3 LEU 28 3HB LEU 28 10.811 11.726 -3.552 209 HG LEU 28 HG LEU 28 10.859 9.695 -5.656 210 HD11 LEU 28 1HD1 LEU 28 8.942 8.564 -5.245 211 HD12 LEU 28 2HD1 LEU 28 8.231 9.880 -4.311 212 HD13 LEU 28 3HD1 LEU 28 9.438 8.827 -3.572 213 HD21 LEU 28 3HD2 LEU 28 8.648 11.626 -5.338 214 HD22 LEU 28 1HD2 LEU 28 9.615 11.227 -6.758 215 HD23 LEU 28 2HD2 LEU 28 10.265 12.307 -5.523 216 H LYS 29 H LYS 29 12.793 13.077 -3.220 217 HA LYS 29 HA LYS 29 12.820 14.427 -5.682 218 HB2 LYS 29 2HB LYS 29 13.341 15.115 -2.857 219 HB3 LYS 29 3HB LYS 29 14.103 16.169 -4.042 220 HG2 LYS 29 2HG LYS 29 12.134 17.260 -3.822 221 HG3 LYS 29 3HG LYS 29 11.664 16.121 -5.086 222 HD2 LYS 29 2HD LYS 29 11.355 15.232 -2.274 223 HD3 LYS 29 3HD LYS 29 10.238 16.469 -2.857 224 HE2 LYS 29 2HE LYS 29 10.514 14.399 -4.822 225 HE3 LYS 29 3HE LYS 29 10.109 13.687 -3.262 226 HZ1 LYS 29 3HZ LYS 29 8.110 14.779 -3.180 227 HZ2 LYS 29 1HZ LYS 29 8.241 14.500 -4.844 228 HZ3 LYS 29 2HZ LYS 29 8.604 16.026 -4.211 229 H GLN 30 H GLN 30 15.527 13.791 -3.444 230 HA GLN 30 HA GLN 30 17.557 14.768 -5.089 231 HB2 GLN 30 2HB GLN 30 19.041 13.893 -3.558 232 HB3 GLN 30 3HB GLN 30 17.574 13.970 -2.592 233 HG2 GLN 30 2HG GLN 30 18.180 11.862 -2.081 234 HG3 GLN 30 3HG GLN 30 17.289 11.509 -3.560 235 HE21 GLN 30 1HE2 GLN 30 20.542 12.740 -2.846 236 HE22 GLN 30 2HE2 GLN 30 21.379 11.580 -3.813 237 H PHE 31 H PHE 31 15.751 11.843 -5.266 238 HA PHE 31 HA PHE 31 17.658 10.375 -6.826 239 HB2 PHE 31 2HB PHE 31 16.102 9.091 -5.549 240 HB3 PHE 31 3HB PHE 31 14.729 9.956 -6.231 241 HD1 PHE 31 HD2 PHE 31 17.344 7.461 -6.911 242 HD2 PHE 31 HD1 PHE 31 13.797 9.338 -8.329 243 HE1 PHE 31 HE2 PHE 31 17.135 5.739 -8.655 244 HE2 PHE 31 HE1 PHE 31 13.581 7.618 -10.076 245 HZ PHE 31 HZ PHE 31 15.252 5.816 -10.241 246 H LEU 32 H LEU 32 14.514 11.877 -7.589 247 HA LEU 32 HA LEU 32 14.758 11.516 -10.387 248 HB2 LEU 32 2HB LEU 32 12.916 13.217 -10.491 249 HB3 LEU 32 3HB LEU 32 12.587 11.794 -9.505 250 HG LEU 32 HG LEU 32 13.497 13.477 -7.608 251 HD11 LEU 32 1HD1 LEU 32 12.787 15.129 -9.907 252 HD12 LEU 32 2HD1 LEU 32 13.702 15.534 -8.455 253 HD13 LEU 32 3HD1 LEU 32 11.940 15.572 -8.424 254 HD21 LEU 32 3HD2 LEU 32 11.483 12.317 -7.295 255 HD22 LEU 32 1HD2 LEU 32 10.730 13.067 -8.702 256 HD23 LEU 32 2HD2 LEU 32 11.029 14.021 -7.249 257 H LYS 33 H LYS 33 15.416 14.259 -8.245 258 HA LYS 33 HA LYS 33 16.002 16.193 -10.147 259 HB2 LYS 33 2HB LYS 33 16.176 17.298 -8.209 260 HB3 LYS 33 3HB LYS 33 16.449 15.808 -7.314 261 HG2 LYS 33 2HG LYS 33 18.674 17.024 -8.889 262 HG3 LYS 33 3HG LYS 33 18.249 17.676 -7.305 263 HD2 LYS 33 2HD LYS 33 18.967 15.817 -6.197 264 HD3 LYS 33 3HD LYS 33 18.569 14.734 -7.533 265 HE2 LYS 33 2HE LYS 33 20.504 15.685 -8.785 266 HE3 LYS 33 3HE LYS 33 20.934 16.594 -7.336 267 HZ1 LYS 33 3HZ LYS 33 21.616 14.729 -6.254 268 HZ2 LYS 33 1HZ LYS 33 21.978 14.259 -7.839 269 HZ3 LYS 33 2HZ LYS 33 20.567 13.700 -7.092 270 H THR 34 H THR 34 17.856 13.442 -9.123 271 HA THR 34 HA THR 34 20.342 14.360 -10.245 272 HB THR 34 HB THR 34 19.740 12.446 -8.400 273 HG1 THR 34 HG1 THR 34 21.956 12.008 -8.508 274 HG21 THR 34 3HG2 THR 34 18.963 11.004 -10.364 275 HG22 THR 34 1HG2 THR 34 20.113 10.279 -9.241 276 HG23 THR 34 2HG2 THR 34 20.668 10.889 -10.800 277 H LEU 35 H LEU 35 17.549 12.682 -11.384 278 HA LEU 35 HA LEU 35 18.814 11.448 -13.643 279 HB2 LEU 35 2HB LEU 35 15.883 12.033 -13.423 280 HB3 LEU 35 3HB LEU 35 16.683 10.706 -14.262 281 HG LEU 35 HG LEU 35 16.462 11.014 -11.268 282 HD11 LEU 35 1HD1 LEU 35 14.621 9.733 -11.297 283 HD12 LEU 35 2HD1 LEU 35 15.211 8.733 -12.624 284 HD13 LEU 35 3HD1 LEU 35 14.468 10.297 -12.962 285 HD21 LEU 35 3HD2 LEU 35 17.472 8.865 -11.105 286 HD22 LEU 35 1HD2 LEU 35 18.515 9.857 -12.125 287 HD23 LEU 35 2HD2 LEU 35 17.453 8.655 -12.857 288 H THR 36 H THR 36 16.426 14.089 -13.382 289 HA THR 36 HA THR 36 17.719 15.380 -15.683 290 HB THR 36 HB THR 36 15.822 14.331 -16.676 291 HG1 THR 36 HG1 THR 36 14.777 16.900 -16.189 292 HG21 THR 36 3HG2 THR 36 13.606 15.479 -15.328 293 HG22 THR 36 1HG2 THR 36 14.638 14.724 -14.115 294 HG23 THR 36 2HG2 THR 36 14.033 13.775 -15.473 295 H GLY 37 H GLY 37 15.909 15.616 -12.720 296 HA2 GLY 37 2HA GLY 37 15.361 18.385 -12.760 297 HA3 GLY 37 3HA GLY 37 15.459 17.380 -11.322 298 H VAL 38 H VAL 38 16.321 19.670 -10.710 299 HA VAL 38 HA VAL 38 19.236 19.719 -11.144 300 HB VAL 38 HB VAL 38 18.436 21.766 -11.944 301 HG11 VAL 38 1HG1 VAL 38 16.938 23.087 -10.094 302 HG12 VAL 38 2HG1 VAL 38 16.283 22.174 -11.455 303 HG13 VAL 38 3HG1 VAL 38 16.400 21.424 -9.863 304 HG21 VAL 38 3HG2 VAL 38 19.146 22.284 -9.057 305 HG22 VAL 38 1HG2 VAL 38 20.302 22.009 -10.362 306 HG23 VAL 38 2HG2 VAL 38 19.266 23.436 -10.387 307 H LEU 39 H LEU 39 20.601 19.715 -9.424 308 HA LEU 39 HA LEU 39 19.833 18.590 -7.012 309 HB2 LEU 39 2HB LEU 39 22.054 19.709 -6.199 310 HB3 LEU 39 3HB LEU 39 22.078 18.398 -7.377 311 HG LEU 39 HG LEU 39 23.613 20.404 -7.779 312 HD11 LEU 39 1HD1 LEU 39 23.730 19.510 -9.801 313 HD12 LEU 39 2HD1 LEU 39 22.221 20.294 -10.266 314 HD13 LEU 39 3HD1 LEU 39 22.190 18.698 -9.516 315 HD21 LEU 39 3HD2 LEU 39 20.976 21.612 -8.609 316 HD22 LEU 39 1HD2 LEU 39 22.567 22.285 -8.962 317 HD23 LEU 39 2HD2 LEU 39 22.013 22.164 -7.292 318 HA PRO 40 HA PRO 40 18.055 21.819 -4.620 319 HB2 PRO 40 2HB PRO 40 18.728 20.997 -2.121 320 HB3 PRO 40 3HB PRO 40 17.490 20.196 -3.096 321 HG2 PRO 40 2HG PRO 40 20.349 19.424 -2.659 322 HG3 PRO 40 3HG PRO 40 18.904 18.397 -2.679 323 HD2 PRO 40 2HD PRO 40 20.579 18.595 -4.796 324 HD3 PRO 40 3HD PRO 40 18.835 18.322 -4.981 325 H GLU 41 H GLU 41 21.450 21.099 -4.381 326 HA GLU 41 HA GLU 41 22.331 23.028 -2.599 327 HB2 GLU 41 2HB GLU 41 23.816 21.333 -3.512 328 HB3 GLU 41 3HB GLU 41 23.669 22.031 -5.119 329 HG2 GLU 41 2HG GLU 41 25.380 23.364 -4.717 330 HG3 GLU 41 3HG GLU 41 24.531 24.070 -3.344 331 H ARG 42 H ARG 42 21.496 23.341 -6.008 332 HA ARG 42 HA ARG 42 22.026 26.227 -5.856 333 HB2 ARG 42 2HB ARG 42 22.016 24.240 -8.071 334 HB3 ARG 42 3HB ARG 42 21.524 25.884 -8.454 335 HG2 ARG 42 2HG ARG 42 23.710 26.206 -8.805 336 HG3 ARG 42 3HG ARG 42 23.792 26.343 -7.048 337 HD2 ARG 42 2HD ARG 42 24.240 23.894 -6.948 338 HD3 ARG 42 3HD ARG 42 24.319 23.884 -8.709 339 HE ARG 42 HE ARG 42 26.440 24.699 -8.550 340 HH11 ARG 42 1HH1 ARG 42 24.751 25.436 -5.596 341 HH12 ARG 42 2HH1 ARG 42 26.144 26.109 -4.815 342 HH21 ARG 42 1HH2 ARG 42 28.280 25.582 -7.533 343 HH22 ARG 42 2HH2 ARG 42 28.150 26.192 -5.918 344 H GLN 43 H GLN 43 19.559 23.846 -6.691 345 HA GLN 43 HA GLN 43 17.582 25.972 -7.041 346 HB2 GLN 43 2HB GLN 43 16.283 24.468 -8.205 347 HB3 GLN 43 3HB GLN 43 17.891 23.854 -8.561 348 HG2 GLN 43 2HG GLN 43 16.659 21.956 -8.042 349 HG3 GLN 43 3HG GLN 43 17.550 22.306 -6.562 350 HE21 GLN 43 1HE2 GLN 43 14.610 23.750 -7.900 351 HE22 GLN 43 2HE2 GLN 43 13.603 23.385 -6.545 352 H LYS 44 H LYS 44 15.496 25.803 -5.966 353 HA LYS 44 HA LYS 44 15.625 24.404 -3.379 354 HB2 LYS 44 2HB LYS 44 14.542 26.338 -2.315 355 HB3 LYS 44 3HB LYS 44 16.107 26.763 -2.995 356 HG2 LYS 44 2HG LYS 44 14.868 28.541 -3.693 357 HG3 LYS 44 3HG LYS 44 14.648 27.458 -5.070 358 HD2 LYS 44 2HD LYS 44 12.451 27.300 -4.704 359 HD3 LYS 44 3HD LYS 44 12.688 26.981 -2.984 360 HE2 LYS 44 2HE LYS 44 12.590 29.219 -2.422 361 HE3 LYS 44 3HE LYS 44 13.054 29.752 -4.037 362 HZ1 LYS 44 3HZ LYS 44 10.697 30.163 -3.504 363 HZ2 LYS 44 1HZ LYS 44 10.447 28.495 -3.376 364 HZ3 LYS 44 2HZ LYS 44 10.898 29.172 -4.859 365 H LEU 45 H LEU 45 13.767 23.442 -2.692 366 HA LEU 45 HA LEU 45 11.767 22.861 -4.600 367 HB2 LEU 45 2HB LEU 45 12.007 22.376 -1.649 368 HB3 LEU 45 3HB LEU 45 10.567 21.904 -2.548 369 HG LEU 45 HG LEU 45 11.942 19.976 -2.308 370 HD11 LEU 45 1HD1 LEU 45 10.871 20.469 -4.547 371 HD12 LEU 45 2HD1 LEU 45 12.191 19.300 -4.551 372 HD13 LEU 45 3HD1 LEU 45 12.475 20.951 -5.100 373 HD21 LEU 45 3HD2 LEU 45 14.197 21.557 -3.536 374 HD22 LEU 45 1HD2 LEU 45 14.253 19.877 -3.001 375 HD23 LEU 45 2HD2 LEU 45 14.046 21.171 -1.821 376 H LEU 46 H LEU 46 9.794 23.712 -4.969 377 HA LEU 46 HA LEU 46 9.203 26.297 -3.867 378 HB2 LEU 46 2HB LEU 46 7.864 24.508 -5.866 379 HB3 LEU 46 3HB LEU 46 7.076 25.971 -5.280 380 HG LEU 46 HG LEU 46 9.220 27.173 -6.071 381 HD11 LEU 46 1HD1 LEU 46 9.871 24.503 -6.747 382 HD12 LEU 46 2HD1 LEU 46 10.805 25.970 -7.042 383 HD13 LEU 46 3HD1 LEU 46 9.653 25.400 -8.249 384 HD21 LEU 46 3HD2 LEU 46 6.875 27.170 -7.093 385 HD22 LEU 46 1HD2 LEU 46 7.524 26.019 -8.261 386 HD23 LEU 46 2HD2 LEU 46 8.220 27.635 -8.135 387 H GLY 47 H GLY 47 6.950 23.568 -4.228 388 HA2 GLY 47 2HA GLY 47 5.704 24.347 -1.696 389 HA3 GLY 47 3HA GLY 47 5.010 23.279 -2.906 390 H LEU 48 H LEU 48 7.956 23.357 -0.891 391 HA LEU 48 HA LEU 48 8.328 20.608 -0.741 392 HB2 LEU 48 2HB LEU 48 9.623 21.085 1.320 393 HB3 LEU 48 3HB LEU 48 10.061 22.096 -0.056 394 HG LEU 48 HG LEU 48 8.329 23.747 1.125 395 HD11 LEU 48 1HD1 LEU 48 9.501 22.162 3.406 396 HD12 LEU 48 2HD1 LEU 48 7.803 22.181 2.930 397 HD13 LEU 48 3HD1 LEU 48 8.563 23.649 3.542 398 HD21 LEU 48 3HD2 LEU 48 11.046 23.612 2.340 399 HD22 LEU 48 1HD2 LEU 48 10.153 25.001 1.721 400 HD23 LEU 48 2HD2 LEU 48 10.898 23.861 0.600 401 H LYS 49 H LYS 49 6.046 22.631 0.878 402 HA LYS 49 HA LYS 49 5.319 20.457 2.715 403 HB2 LYS 49 2HB LYS 49 3.720 22.544 3.430 404 HB3 LYS 49 3HB LYS 49 5.292 22.202 4.141 405 HG2 LYS 49 2HG LYS 49 6.353 23.781 2.660 406 HG3 LYS 49 3HG LYS 49 4.827 24.061 1.818 407 HD2 LYS 49 2HD LYS 49 3.963 24.696 4.200 408 HD3 LYS 49 3HD LYS 49 5.679 24.926 4.549 409 HE2 LYS 49 2HE LYS 49 5.738 26.387 2.465 410 HE3 LYS 49 3HE LYS 49 3.977 26.345 2.516 411 HZ1 LYS 49 3HZ LYS 49 4.019 27.954 4.014 412 HZ2 LYS 49 1HZ LYS 49 5.710 27.994 3.964 413 HZ3 LYS 49 2HZ LYS 49 4.920 26.989 5.072 414 H VAL 50 H VAL 50 3.278 19.572 2.738 415 HA VAL 50 HA VAL 50 1.302 20.540 0.815 416 HB VAL 50 HB VAL 50 2.635 18.835 -0.387 417 HG11 VAL 50 1HG1 VAL 50 1.523 16.593 1.142 418 HG12 VAL 50 2HG1 VAL 50 3.125 16.802 0.431 419 HG13 VAL 50 3HG1 VAL 50 2.752 17.528 1.995 420 HG21 VAL 50 3HG2 VAL 50 0.775 18.321 -1.496 421 HG22 VAL 50 1HG2 VAL 50 0.200 17.308 -0.171 422 HG23 VAL 50 2HG2 VAL 50 -0.142 19.038 -0.171 423 H LYS 51 H LYS 51 -0.805 20.091 1.363 424 HA LYS 51 HA LYS 51 -2.552 19.719 2.775 425 HB2 LYS 51 2HB LYS 51 -0.996 17.241 3.534 426 HB3 LYS 51 3HB LYS 51 -2.726 17.493 3.722 427 HG2 LYS 51 2HG LYS 51 -2.078 17.935 0.999 428 HG3 LYS 51 3HG LYS 51 -1.317 16.425 1.506 429 HD2 LYS 51 2HD LYS 51 -3.432 15.569 2.288 430 HD3 LYS 51 3HD LYS 51 -4.221 17.114 1.956 431 HE2 LYS 51 2HE LYS 51 -2.893 15.419 -0.152 432 HE3 LYS 51 3HE LYS 51 -4.610 15.330 0.237 433 HZ1 LYS 51 3HZ LYS 51 -3.740 18.013 -0.230 434 HZ2 LYS 51 1HZ LYS 51 -5.019 17.158 -0.933 435 HZ3 LYS 51 2HZ LYS 51 -3.458 17.017 -1.568 436 H GLY 52 H GLY 52 -0.390 21.330 3.787 437 HA2 GLY 52 2HA GLY 52 -0.159 22.470 5.807 438 HA3 GLY 52 3HA GLY 52 -1.077 21.198 6.601 439 H LYS 53 H LYS 53 0.918 19.317 5.110 440 HA LYS 53 HA LYS 53 2.721 19.102 7.353 441 HB2 LYS 53 2HB LYS 53 2.369 17.477 4.834 442 HB3 LYS 53 3HB LYS 53 3.604 17.124 6.036 443 HG2 LYS 53 2HG LYS 53 0.637 17.170 6.555 444 HG3 LYS 53 3HG LYS 53 1.612 15.721 6.296 445 HD2 LYS 53 2HD LYS 53 2.949 17.128 8.292 446 HD3 LYS 53 3HD LYS 53 1.239 17.292 8.697 447 HE2 LYS 53 2HE LYS 53 0.981 15.067 9.093 448 HE3 LYS 53 3HE LYS 53 2.185 14.602 7.893 449 HZ1 LYS 53 3HZ LYS 53 3.735 14.480 9.456 450 HZ2 LYS 53 1HZ LYS 53 2.522 14.678 10.618 451 HZ3 LYS 53 2HZ LYS 53 3.375 16.023 10.049 452 HA PRO 54 HA PRO 54 6.149 21.282 5.676 453 HB2 PRO 54 2HB PRO 54 8.195 19.949 6.863 454 HB3 PRO 54 3HB PRO 54 7.131 21.054 7.741 455 HG2 PRO 54 2HG PRO 54 7.053 18.065 7.593 456 HG3 PRO 54 3HG PRO 54 6.839 19.122 9.001 457 HD2 PRO 54 2HD PRO 54 4.752 17.998 7.692 458 HD3 PRO 54 3HD PRO 54 4.644 19.588 8.476 459 H ALA 55 H ALA 55 6.261 17.745 5.525 460 HA ALA 55 HA ALA 55 7.397 16.329 4.105 461 HB1 ALA 55 1HB ALA 55 6.832 17.044 1.641 462 HB2 ALA 55 2HB ALA 55 5.566 16.491 2.738 463 HB3 ALA 55 3HB ALA 55 5.793 18.216 2.452 464 H GLU 56 H GLU 56 9.167 18.256 5.121 465 HA GLU 56 HA GLU 56 10.662 19.557 3.101 466 HB2 GLU 56 2HB GLU 56 10.737 20.160 5.510 467 HB3 GLU 56 3HB GLU 56 11.595 18.660 5.832 468 HG2 GLU 56 2HG GLU 56 13.478 19.776 5.520 469 HG3 GLU 56 3HG GLU 56 13.057 19.871 3.811 470 H ASN 57 H ASN 57 11.886 16.923 5.151 471 HA ASN 57 HA ASN 57 12.674 15.354 2.861 472 HB2 ASN 57 2HB ASN 57 15.122 15.376 3.895 473 HB3 ASN 57 3HB ASN 57 14.622 16.558 2.689 474 HD21 ASN 57 1HD2 ASN 57 14.649 16.068 6.199 475 HD22 ASN 57 2HD2 ASN 57 15.028 17.706 6.597 476 H ASP 58 H ASP 58 12.789 15.888 6.338 477 HA ASP 58 HA ASP 58 13.469 13.184 6.982 478 HB2 ASP 58 2HB ASP 58 12.425 15.490 8.626 479 HB3 ASP 58 3HB ASP 58 12.755 13.903 9.316 480 H VAL 59 H VAL 59 10.729 14.479 5.713 481 HA VAL 59 HA VAL 59 8.842 12.845 7.217 482 HB VAL 59 HB VAL 59 8.011 14.308 4.761 483 HG11 VAL 59 1HG1 VAL 59 6.084 14.857 6.298 484 HG12 VAL 59 2HG1 VAL 59 6.300 13.148 5.917 485 HG13 VAL 59 3HG1 VAL 59 6.829 13.778 7.478 486 HG21 VAL 59 3HG2 VAL 59 9.297 16.055 5.565 487 HG22 VAL 59 1HG2 VAL 59 7.744 16.351 6.347 488 HG23 VAL 59 2HG2 VAL 59 9.056 15.595 7.251 489 H LYS 60 H LYS 60 7.637 11.162 6.336 490 HA LYS 60 HA LYS 60 8.944 9.767 4.145 491 HB2 LYS 60 2HB LYS 60 6.828 8.980 6.140 492 HB3 LYS 60 3HB LYS 60 7.257 7.951 4.780 493 HG2 LYS 60 2HG LYS 60 9.702 8.416 5.789 494 HG3 LYS 60 3HG LYS 60 8.734 8.531 7.261 495 HD2 LYS 60 2HD LYS 60 7.658 6.317 6.333 496 HD3 LYS 60 3HD LYS 60 9.185 6.202 5.455 497 HE2 LYS 60 2HE LYS 60 10.390 6.436 7.600 498 HE3 LYS 60 3HE LYS 60 8.841 6.449 8.442 499 HZ1 LYS 60 3HZ LYS 60 8.455 4.224 7.296 500 HZ2 LYS 60 1HZ LYS 60 9.560 4.257 8.577 501 HZ3 LYS 60 2HZ LYS 60 10.117 4.223 6.980 502 H LEU 61 H LEU 61 7.924 9.108 2.251 503 HA LEU 61 HA LEU 61 6.219 10.882 1.001 504 HB2 LEU 61 2HB LEU 61 6.281 7.956 0.331 505 HB3 LEU 61 3HB LEU 61 6.030 9.321 -0.755 506 HG LEU 61 HG LEU 61 8.629 8.591 0.595 507 HD11 LEU 61 1HD1 LEU 61 7.923 8.456 -2.327 508 HD12 LEU 61 2HD1 LEU 61 7.835 7.071 -1.239 509 HD13 LEU 61 3HD1 LEU 61 9.383 7.863 -1.533 510 HD21 LEU 61 3HD2 LEU 61 9.083 10.760 0.275 511 HD22 LEU 61 1HD2 LEU 61 7.699 10.991 -0.795 512 HD23 LEU 61 2HD2 LEU 61 9.204 10.327 -1.431 513 H GLY 62 H GLY 62 5.436 7.994 2.866 514 HA2 GLY 62 2HA GLY 62 2.637 8.067 2.238 515 HA3 GLY 62 3HA GLY 62 3.403 7.083 3.476 516 H ALA 63 H ALA 63 4.631 9.737 4.467 517 HA ALA 63 HA ALA 63 2.500 10.285 6.350 518 HB1 ALA 63 1HB ALA 63 4.816 10.036 7.125 519 HB2 ALA 63 2HB ALA 63 5.274 11.458 6.188 520 HB3 ALA 63 3HB ALA 63 4.149 11.616 7.536 521 H LEU 64 H LEU 64 3.616 11.577 3.414 522 HA LEU 64 HA LEU 64 2.699 14.280 3.939 523 HB2 LEU 64 2HB LEU 64 3.294 13.426 1.177 524 HB3 LEU 64 3HB LEU 64 3.768 14.889 2.040 525 HG LEU 64 HG LEU 64 5.049 12.185 2.429 526 HD11 LEU 64 1HD1 LEU 64 6.776 12.825 1.003 527 HD12 LEU 64 2HD1 LEU 64 6.282 14.517 1.006 528 HD13 LEU 64 3HD1 LEU 64 5.317 13.320 0.143 529 HD21 LEU 64 3HD2 LEU 64 6.444 13.149 3.938 530 HD22 LEU 64 1HD2 LEU 64 5.036 14.179 4.198 531 HD23 LEU 64 2HD2 LEU 64 6.359 14.736 3.173 532 H LYS 65 H LYS 65 1.419 11.339 2.774 533 HA LYS 65 HA LYS 65 -0.543 10.752 1.769 534 HB2 LYS 65 2HB LYS 65 -1.491 13.253 3.180 535 HB3 LYS 65 3HB LYS 65 -2.527 11.971 2.567 536 HG2 LYS 65 2HG LYS 65 -2.407 11.368 4.757 537 HG3 LYS 65 3HG LYS 65 -1.024 10.471 4.125 538 HD2 LYS 65 2HD LYS 65 0.344 11.573 5.487 539 HD3 LYS 65 3HD LYS 65 -0.185 13.115 4.809 540 HE2 LYS 65 2HE LYS 65 -2.145 13.034 6.351 541 HE3 LYS 65 3HE LYS 65 -1.441 11.598 7.093 542 HZ1 LYS 65 3HZ LYS 65 -0.987 13.842 8.177 543 HZ2 LYS 65 1HZ LYS 65 0.081 14.122 6.895 544 HZ3 LYS 65 2HZ LYS 65 0.335 12.814 7.937 545 H LEU 66 H LEU 66 1.104 12.046 0.004 546 HA LEU 66 HA LEU 66 -0.565 13.985 -1.416 547 HB2 LEU 66 2HB LEU 66 2.277 13.489 -1.176 548 HB3 LEU 66 3HB LEU 66 1.779 13.610 -2.863 549 HG LEU 66 HG LEU 66 1.306 15.705 -0.742 550 HD11 LEU 66 1HD1 LEU 66 3.606 15.740 -1.190 551 HD12 LEU 66 2HD1 LEU 66 2.926 16.989 -2.233 552 HD13 LEU 66 3HD1 LEU 66 3.366 15.420 -2.908 553 HD21 LEU 66 3HD2 LEU 66 -0.226 16.508 -2.133 554 HD22 LEU 66 1HD2 LEU 66 0.132 15.260 -3.327 555 HD23 LEU 66 2HD2 LEU 66 1.053 16.765 -3.322 556 H LYS 67 H LYS 67 -1.035 13.739 -3.654 557 HA LYS 67 HA LYS 67 -1.830 11.112 -4.374 558 HB2 LYS 67 2HB LYS 67 -2.019 13.814 -5.536 559 HB3 LYS 67 3HB LYS 67 -1.994 12.506 -6.711 560 HG2 LYS 67 2HG LYS 67 -4.218 12.554 -6.371 561 HG3 LYS 67 3HG LYS 67 -3.805 11.524 -4.998 562 HD2 LYS 67 2HD LYS 67 -3.474 14.029 -3.954 563 HD3 LYS 67 3HD LYS 67 -4.831 14.268 -5.058 564 HE2 LYS 67 2HE LYS 67 -6.194 12.808 -3.911 565 HE3 LYS 67 3HE LYS 67 -4.837 11.910 -3.231 566 HZ1 LYS 67 3HZ LYS 67 -5.596 13.085 -1.427 567 HZ2 LYS 67 1HZ LYS 67 -6.014 14.451 -2.333 568 HZ3 LYS 67 2HZ LYS 67 -4.389 14.125 -1.997 569 HA PRO 68 HA PRO 68 1.613 9.521 -6.579 570 HB2 PRO 68 2HB PRO 68 0.430 8.264 -8.674 571 HB3 PRO 68 3HB PRO 68 0.347 7.654 -7.017 572 HG2 PRO 68 2HG PRO 68 -1.679 9.229 -8.559 573 HG3 PRO 68 3HG PRO 68 -1.921 7.829 -7.498 574 HD2 PRO 68 2HD PRO 68 -2.395 10.369 -6.688 575 HD3 PRO 68 3HD PRO 68 -1.822 9.105 -5.581 576 H ASN 69 H ASN 69 -0.748 11.259 -8.569 577 HA ASN 69 HA ASN 69 1.125 11.738 -10.696 578 HB2 ASN 69 2HB ASN 69 -1.462 13.225 -10.275 579 HB3 ASN 69 3HB ASN 69 -0.631 12.883 -11.790 580 HD21 ASN 69 1HD2 ASN 69 -0.133 10.260 -11.699 581 HD22 ASN 69 2HD2 ASN 69 -1.601 9.354 -11.602 582 H THR 70 H THR 70 0.473 13.168 -7.690 583 HA THR 70 HA THR 70 0.702 15.810 -7.789 584 HB THR 70 HB THR 70 2.451 14.018 -6.096 585 HG1 THR 70 HG1 THR 70 -0.091 15.239 -5.732 586 HG21 THR 70 3HG2 THR 70 1.980 16.985 -6.013 587 HG22 THR 70 1HG2 THR 70 3.511 16.111 -5.980 588 HG23 THR 70 2HG2 THR 70 2.448 16.080 -4.573 589 H LYS 71 H LYS 71 1.912 17.296 -8.756 590 HA LYS 71 HA LYS 71 4.409 16.469 -10.033 591 HB2 LYS 71 2HB LYS 71 3.014 19.122 -10.354 592 HB3 LYS 71 3HB LYS 71 4.196 18.384 -11.427 593 HG2 LYS 71 2HG LYS 71 2.482 17.662 -12.634 594 HG3 LYS 71 3HG LYS 71 2.139 16.533 -11.321 595 HD2 LYS 71 2HD LYS 71 0.969 18.789 -10.377 596 HD3 LYS 71 3HD LYS 71 0.743 18.999 -12.115 597 HE2 LYS 71 2HE LYS 71 -0.946 17.560 -12.066 598 HE3 LYS 71 3HE LYS 71 0.142 16.302 -11.483 599 HZ1 LYS 71 3HZ LYS 71 -1.719 17.986 -9.991 600 HZ2 LYS 71 1HZ LYS 71 -0.272 17.565 -9.223 601 HZ3 LYS 71 2HZ LYS 71 -1.321 16.357 -9.771 602 H ILE 72 H ILE 72 6.368 17.504 -9.697 603 HA ILE 72 HA ILE 72 6.480 19.223 -7.305 604 HB ILE 72 HB ILE 72 8.647 17.388 -8.333 605 HG12 ILE 72 2HG1 ILE 72 6.791 16.083 -7.456 606 HG13 ILE 72 3HG1 ILE 72 8.138 16.027 -6.324 607 HG21 ILE 72 1HG2 ILE 72 9.598 19.259 -7.187 608 HG22 ILE 72 2HG2 ILE 72 8.439 19.104 -5.867 609 HG23 ILE 72 3HG2 ILE 72 9.672 17.866 -6.108 610 HD11 ILE 72 3HD1 ILE 72 5.711 17.787 -6.068 611 HD12 ILE 72 1HD1 ILE 72 5.996 16.285 -5.189 612 HD13 ILE 72 2HD1 ILE 72 7.046 17.677 -4.921 613 H MET 73 H MET 73 7.396 21.177 -7.480 614 HA MET 73 HA MET 73 8.551 21.907 -10.077 615 HB2 MET 73 2HB MET 73 7.502 23.671 -7.856 616 HB3 MET 73 3HB MET 73 8.107 24.234 -9.409 617 HG2 MET 73 2HG MET 73 6.275 23.408 -10.566 618 HG3 MET 73 3HG MET 73 5.834 22.299 -9.270 619 HE1 MET 73 3HE MET 73 4.846 26.695 -9.759 620 HE2 MET 73 1HE MET 73 6.033 25.730 -10.637 621 HE3 MET 73 2HE MET 73 4.310 25.457 -10.896 622 H MET 74 H MET 74 10.563 22.821 -10.265 623 HA MET 74 HA MET 74 12.151 23.115 -7.811 624 HB2 MET 74 2HB MET 74 12.957 21.621 -10.309 625 HB3 MET 74 3HB MET 74 14.088 22.094 -9.047 626 HG2 MET 74 2HG MET 74 12.845 20.744 -7.432 627 HG3 MET 74 3HG MET 74 11.726 20.262 -8.705 628 HE1 MET 74 3HE MET 74 13.454 17.855 -10.866 629 HE2 MET 74 1HE MET 74 12.336 19.216 -10.777 630 HE3 MET 74 2HE MET 74 14.005 19.478 -11.285 631 H MET 75 H MET 75 12.978 25.088 -7.705 632 HA MET 75 HA MET 75 13.448 26.554 -10.213 633 HB2 MET 75 2HB MET 75 12.900 27.590 -7.427 634 HB3 MET 75 3HB MET 75 13.284 28.606 -8.810 635 HG2 MET 75 2HG MET 75 11.086 26.785 -9.340 636 HG3 MET 75 3HG MET 75 10.773 27.858 -7.978 637 HE1 MET 75 3HE MET 75 9.374 28.976 -11.784 638 HE2 MET 75 1HE MET 75 9.905 27.364 -11.304 639 HE3 MET 75 2HE MET 75 8.753 28.247 -10.302 640 H GLY 76 H GLY 76 15.485 26.952 -10.771 641 HA2 GLY 76 2HA GLY 76 17.520 27.974 -9.280 642 HA3 GLY 76 3HA GLY 76 17.643 26.243 -9.001 643 H THR 77 H THR 77 19.714 26.280 -10.003 644 HA THR 77 HA THR 77 19.538 26.244 -12.937 645 HB THR 77 HB THR 77 20.626 28.321 -12.491 646 HG1 THR 77 HG1 THR 77 21.668 26.609 -13.958 647 HG21 THR 77 3HG2 THR 77 21.709 28.675 -10.579 648 HG22 THR 77 1HG2 THR 77 22.993 27.592 -11.114 649 HG23 THR 77 2HG2 THR 77 21.628 26.956 -10.196 650 H ARG 78 H ARG 78 20.770 24.695 -13.965 651 HA ARG 78 HA ARG 78 21.385 22.362 -12.510 652 HB2 ARG 78 2HB ARG 78 21.821 23.265 -15.328 653 HB3 ARG 78 3HB ARG 78 22.624 21.806 -14.764 654 HG2 ARG 78 2HG ARG 78 20.767 20.751 -15.392 655 HG3 ARG 78 3HG ARG 78 20.049 21.418 -13.925 656 HD2 ARG 78 2HD ARG 78 18.518 22.198 -15.399 657 HD3 ARG 78 3HD ARG 78 19.694 23.502 -15.563 658 HE ARG 78 HE ARG 78 20.208 21.378 -17.390 659 HH11 ARG 78 1HH1 ARG 78 18.183 24.154 -16.832 660 HH12 ARG 78 2HH1 ARG 78 17.874 24.430 -18.514 661 HH21 ARG 78 1HH2 ARG 78 19.808 21.730 -19.607 662 HH22 ARG 78 2HH2 ARG 78 18.798 23.050 -20.092 663 H GLU 79 H GLU 79 23.450 21.304 -12.284 664 HA GLU 79 HA GLU 79 25.499 23.142 -11.421 665 HB2 GLU 79 2HB GLU 79 24.995 20.221 -11.174 666 HB3 GLU 79 3HB GLU 79 26.662 20.764 -11.052 667 HG2 GLU 79 2HG GLU 79 24.503 22.030 -9.413 668 HG3 GLU 79 3HG GLU 79 25.282 20.533 -8.904 669 H GLU 80 H GLU 80 27.521 23.421 -12.285 670 HA GLU 80 HA GLU 80 29.107 23.574 -13.909 671 HB2 GLU 80 2HB GLU 80 29.011 21.003 -13.332 672 HB3 GLU 80 3HB GLU 80 28.359 20.877 -14.960 673 HG2 GLU 80 2HG GLU 80 30.451 20.795 -15.676 674 HG3 GLU 80 3HG GLU 80 30.579 22.501 -15.253 675 H SER 81 H SER 81 28.072 25.196 -15.090 676 HA SER 81 HA SER 81 27.199 26.175 -16.949 677 HB2 SER 81 2HB SER 81 28.761 24.173 -17.900 678 HB3 SER 81 3HB SER 81 27.201 23.703 -18.576 679 HG SER 81 HG SER 81 27.081 25.639 -19.636 680 HN1 NH2 90 H1 NH2 90 24.251 23.369 -16.596 Start of MODEL 12 1 H1 MET 1 H MET 1 2.515 -0.456 0.759 2 HA MET 1 HA MET 1 3.131 -0.988 -1.514 3 HB2 MET 1 2HB MET 1 0.474 0.280 -1.949 4 HB3 MET 1 3HB MET 1 1.674 0.455 -3.223 5 HG2 MET 1 2HG MET 1 1.707 -2.249 -2.470 6 HG3 MET 1 3HG MET 1 0.013 -1.781 -2.591 7 HE1 MET 1 3HE MET 1 -0.720 -0.381 -5.516 8 HE2 MET 1 1HE MET 1 -0.880 -2.092 -5.917 9 HE3 MET 1 2HE MET 1 -1.224 -1.535 -4.279 10 H ALA 2 H ALA 2 3.823 0.686 -3.312 11 HA ALA 2 HA ALA 2 5.108 2.867 -1.872 12 HB1 ALA 2 1HB ALA 2 6.816 2.403 -3.206 13 HB2 ALA 2 2HB ALA 2 5.847 1.178 -4.024 14 HB3 ALA 2 3HB ALA 2 5.849 2.839 -4.615 15 H LEU 3 H LEU 3 5.057 5.039 -2.580 16 HA LEU 3 HA LEU 3 2.639 5.716 -4.116 17 HB2 LEU 3 2HB LEU 3 3.691 6.658 -1.618 18 HB3 LEU 3 3HB LEU 3 3.574 7.994 -2.761 19 HG LEU 3 HG LEU 3 1.314 6.190 -1.898 20 HD11 LEU 3 1HD1 LEU 3 2.249 7.939 -0.275 21 HD12 LEU 3 2HD1 LEU 3 0.517 7.958 -0.603 22 HD13 LEU 3 3HD1 LEU 3 1.574 9.133 -1.385 23 HD21 LEU 3 3HD2 LEU 3 0.355 6.806 -3.810 24 HD22 LEU 3 1HD2 LEU 3 1.638 7.961 -4.169 25 HD23 LEU 3 2HD2 LEU 3 0.285 8.438 -3.144 26 HA PRO 4 HA PRO 4 5.696 7.099 -7.110 27 HB2 PRO 4 2HB PRO 4 3.890 7.537 -9.089 28 HB3 PRO 4 3HB PRO 4 4.500 5.929 -8.685 29 HG2 PRO 4 2HG PRO 4 1.926 7.233 -7.890 30 HG3 PRO 4 3HG PRO 4 2.216 5.570 -8.435 31 HD2 PRO 4 2HD PRO 4 1.906 6.214 -5.823 32 HD3 PRO 4 3HD PRO 4 2.954 4.886 -6.361 33 H ILE 5 H ILE 5 6.164 9.092 -8.137 34 HA ILE 5 HA ILE 5 4.377 11.342 -7.706 35 HB ILE 5 HB ILE 5 7.159 11.317 -6.530 36 HG12 ILE 5 2HG1 ILE 5 4.424 11.378 -5.241 37 HG13 ILE 5 3HG1 ILE 5 5.617 10.089 -5.124 38 HG21 ILE 5 1HG2 ILE 5 5.084 13.505 -6.534 39 HG22 ILE 5 2HG2 ILE 5 6.669 13.570 -5.766 40 HG23 ILE 5 3HG2 ILE 5 6.544 13.477 -7.523 41 HD11 ILE 5 3HD1 ILE 5 5.331 12.488 -3.553 42 HD12 ILE 5 1HD1 ILE 5 6.291 11.042 -3.244 43 HD13 ILE 5 2HD1 ILE 5 6.953 12.345 -4.231 44 H ILE 6 H ILE 6 4.598 12.898 -9.228 45 HA ILE 6 HA ILE 6 6.569 12.409 -11.329 46 HB ILE 6 HB ILE 6 4.025 14.001 -11.224 47 HG12 ILE 6 2HG1 ILE 6 4.642 12.234 -13.494 48 HG13 ILE 6 3HG1 ILE 6 4.554 11.412 -11.940 49 HG21 ILE 6 1HG2 ILE 6 5.481 15.490 -12.346 50 HG22 ILE 6 2HG2 ILE 6 6.224 14.183 -13.267 51 HG23 ILE 6 3HG2 ILE 6 4.560 14.662 -13.601 52 HD11 ILE 6 3HD1 ILE 6 2.344 13.181 -12.140 53 HD12 ILE 6 1HD1 ILE 6 2.442 12.232 -13.623 54 HD13 ILE 6 2HD1 ILE 6 2.351 11.419 -12.060 55 H VAL 7 H VAL 7 8.101 13.868 -11.958 56 HA VAL 7 HA VAL 7 8.301 16.362 -10.401 57 HB VAL 7 HB VAL 7 9.937 14.766 -9.539 58 HG11 VAL 7 1HG1 VAL 7 11.134 13.387 -10.817 59 HG12 VAL 7 2HG1 VAL 7 10.132 13.920 -12.168 60 HG13 VAL 7 3HG1 VAL 7 11.681 14.705 -11.853 61 HG21 VAL 7 3HG2 VAL 7 11.988 16.280 -10.670 62 HG22 VAL 7 1HG2 VAL 7 10.568 17.325 -10.707 63 HG23 VAL 7 2HG2 VAL 7 11.108 16.624 -9.181 64 H LYS 8 H LYS 8 8.344 18.111 -11.636 65 HA LYS 8 HA LYS 8 9.116 17.823 -14.460 66 HB2 LYS 8 2HB LYS 8 7.793 19.847 -14.868 67 HB3 LYS 8 3HB LYS 8 6.821 18.590 -14.112 68 HG2 LYS 8 2HG LYS 8 7.564 19.867 -11.910 69 HG3 LYS 8 3HG LYS 8 7.704 21.210 -13.048 70 HD2 LYS 8 2HD LYS 8 5.245 19.484 -12.832 71 HD3 LYS 8 3HD LYS 8 5.467 20.968 -11.902 72 HE2 LYS 8 2HE LYS 8 5.796 22.184 -14.050 73 HE3 LYS 8 3HE LYS 8 5.395 20.696 -14.905 74 HZ1 LYS 8 3HZ LYS 8 3.211 20.749 -14.101 75 HZ2 LYS 8 1HZ LYS 8 3.533 22.346 -14.556 76 HZ3 LYS 8 2HZ LYS 8 3.564 21.910 -12.922 77 H TRP 9 H TRP 9 11.040 18.589 -15.002 78 HA TRP 9 HA TRP 9 12.123 20.871 -13.483 79 HB2 TRP 9 2HB TRP 9 13.548 19.132 -12.870 80 HB3 TRP 9 3HB TRP 9 13.448 18.361 -14.451 81 HD1 TRP 9 HD1 TRP 9 15.687 18.499 -15.658 82 HE1 TRP 9 HE1 TRP 9 17.592 20.220 -15.846 83 HE3 TRP 9 HE3 TRP 9 13.811 22.124 -12.580 84 HZ2 TRP 9 HZ2 TRP 9 18.216 22.777 -14.824 85 HZ3 TRP 9 HZ3 TRP 9 15.124 24.176 -12.238 86 HH2 TRP 9 HH2 TRP 9 17.281 24.494 -13.337 87 H GLY 10 H GLY 10 11.715 22.557 -14.811 88 HA2 GLY 10 2HA GLY 10 12.533 23.948 -16.548 89 HA3 GLY 10 3HA GLY 10 13.037 22.511 -17.426 90 H GLY 11 H GLY 11 11.409 21.239 -18.500 91 HA2 GLY 11 2HA GLY 11 8.766 22.434 -18.780 92 HA3 GLY 11 3HA GLY 11 9.773 22.440 -20.220 93 H GLN 12 H GLN 12 10.156 19.809 -18.035 94 HA GLN 12 HA GLN 12 8.461 18.110 -19.737 95 HB2 GLN 12 2HB GLN 12 11.331 17.748 -18.969 96 HB3 GLN 12 3HB GLN 12 10.320 16.331 -19.215 97 HG2 GLN 12 2HG GLN 12 10.628 18.508 -21.263 98 HG3 GLN 12 3HG GLN 12 11.661 17.081 -21.198 99 HE21 GLN 12 1HE2 GLN 12 10.823 16.742 -23.373 100 HE22 GLN 12 2HE2 GLN 12 9.315 15.923 -23.570 101 H GLU 13 H GLU 13 8.312 15.823 -18.637 102 HA GLU 13 HA GLU 13 7.991 16.158 -15.735 103 HB2 GLU 13 2HB GLU 13 5.952 15.014 -17.649 104 HB3 GLU 13 3HB GLU 13 5.852 14.866 -15.900 105 HG2 GLU 13 2HG GLU 13 5.734 17.288 -15.688 106 HG3 GLU 13 3HG GLU 13 5.862 17.453 -17.439 107 H TYR 14 H TYR 14 8.441 14.380 -14.504 108 HA TYR 14 HA TYR 14 9.064 11.867 -15.885 109 HB2 TYR 14 2HB TYR 14 10.877 13.238 -13.888 110 HB3 TYR 14 3HB TYR 14 11.133 11.630 -14.557 111 HD1 TYR 14 HD1 TYR 14 10.873 15.217 -15.489 112 HD2 TYR 14 HD2 TYR 14 12.258 11.350 -16.599 113 HE1 TYR 14 HE1 TYR 14 12.106 16.206 -17.374 114 HE2 TYR 14 HE2 TYR 14 13.496 12.328 -18.486 115 HH TYR 14 HH TYR 14 13.365 14.389 -19.902 116 H SER 15 H SER 15 7.921 10.302 -14.983 117 HA SER 15 HA SER 15 6.791 10.621 -12.342 118 HB2 SER 15 2HB SER 15 6.035 8.132 -13.032 119 HB3 SER 15 3HB SER 15 5.204 9.577 -13.610 120 HG SER 15 HG SER 15 6.241 7.746 -15.092 121 H VAL 16 H VAL 16 7.431 9.651 -10.506 122 HA VAL 16 HA VAL 16 9.900 8.087 -10.602 123 HB VAL 16 HB VAL 16 8.471 9.332 -8.249 124 HG11 VAL 16 1HG1 VAL 16 10.863 7.577 -8.468 125 HG12 VAL 16 2HG1 VAL 16 10.877 8.872 -7.270 126 HG13 VAL 16 3HG1 VAL 16 9.616 7.639 -7.222 127 HG21 VAL 16 3HG2 VAL 16 10.883 10.566 -8.444 128 HG22 VAL 16 1HG2 VAL 16 10.497 10.295 -10.143 129 HG23 VAL 16 2HG2 VAL 16 9.381 11.197 -9.117 130 H THR 17 H THR 17 9.933 5.961 -10.287 131 HA THR 17 HA THR 17 7.709 4.690 -8.851 132 HB THR 17 HB THR 17 8.021 2.760 -10.583 133 HG1 THR 17 HG1 THR 17 9.589 3.457 -11.915 134 HG21 THR 17 3HG2 THR 17 6.589 4.819 -12.028 135 HG22 THR 17 1HG2 THR 17 6.202 4.853 -10.308 136 HG23 THR 17 2HG2 THR 17 5.973 3.370 -11.234 137 H THR 18 H THR 18 9.008 4.327 -7.061 138 HA THR 18 HA THR 18 10.410 1.946 -6.912 139 HB THR 18 HB THR 18 12.201 2.741 -8.213 140 HG1 THR 18 HG1 THR 18 13.755 2.377 -6.787 141 HG21 THR 18 3HG2 THR 18 13.224 5.041 -7.055 142 HG22 THR 18 1HG2 THR 18 11.481 5.308 -7.059 143 HG23 THR 18 2HG2 THR 18 12.321 4.946 -8.567 144 H LEU 19 H LEU 19 9.929 5.182 -5.706 145 HA LEU 19 HA LEU 19 10.830 4.541 -3.036 146 HB2 LEU 19 2HB LEU 19 10.031 6.924 -4.509 147 HB3 LEU 19 3HB LEU 19 9.406 6.894 -2.861 148 HG LEU 19 HG LEU 19 11.532 8.120 -3.061 149 HD11 LEU 19 1HD1 LEU 19 11.139 7.307 -0.914 150 HD12 LEU 19 2HD1 LEU 19 12.766 6.737 -1.287 151 HD13 LEU 19 3HD1 LEU 19 11.397 5.631 -1.398 152 HD21 LEU 19 3HD2 LEU 19 12.703 5.434 -3.778 153 HD22 LEU 19 1HD2 LEU 19 13.597 6.931 -3.511 154 HD23 LEU 19 2HD2 LEU 19 12.502 6.791 -4.887 155 H SER 20 H SER 20 9.517 4.445 -1.184 156 HA SER 20 HA SER 20 6.641 4.074 -1.673 157 HB2 SER 20 2HB SER 20 7.241 2.311 0.392 158 HB3 SER 20 3HB SER 20 6.903 1.875 -1.283 159 HG SER 20 HG SER 20 8.998 1.188 -0.204 160 H GLU 21 H GLU 21 5.393 4.045 0.437 161 HA GLU 21 HA GLU 21 5.804 6.444 1.810 162 HB2 GLU 21 2HB GLU 21 4.244 4.101 2.891 163 HB3 GLU 21 3HB GLU 21 3.981 5.809 3.210 164 HG2 GLU 21 2HG GLU 21 3.449 6.061 0.758 165 HG3 GLU 21 3HG GLU 21 3.441 4.300 0.672 166 H ASP 22 H ASP 22 7.151 3.321 2.299 167 HA ASP 22 HA ASP 22 7.782 3.555 5.058 168 HB2 ASP 22 2HB ASP 22 7.833 1.495 3.341 169 HB3 ASP 22 3HB ASP 22 9.539 1.933 3.293 170 H ASP 23 H ASP 23 8.956 5.160 2.359 171 HA ASP 23 HA ASP 23 11.590 5.640 3.559 172 HB2 ASP 23 2HB ASP 23 10.651 6.621 0.866 173 HB3 ASP 23 3HB ASP 23 12.306 6.444 1.443 174 H THR 24 H THR 24 11.807 8.186 2.067 175 HA THR 24 HA THR 24 9.954 9.890 3.576 176 HB THR 24 HB THR 24 12.275 11.356 3.668 177 HG1 THR 24 HG1 THR 24 12.948 8.687 4.402 178 HG21 THR 24 3HG2 THR 24 10.403 10.453 5.429 179 HG22 THR 24 1HG2 THR 24 11.828 11.391 5.876 180 HG23 THR 24 2HG2 THR 24 11.852 9.632 6.009 181 H VAL 25 H VAL 25 10.133 12.220 2.845 182 HA VAL 25 HA VAL 25 9.690 12.376 0.074 183 HB VAL 25 HB VAL 25 10.330 14.666 1.937 184 HG11 VAL 25 1HG1 VAL 25 10.390 15.626 -0.145 185 HG12 VAL 25 2HG1 VAL 25 9.246 14.470 -0.832 186 HG13 VAL 25 3HG1 VAL 25 8.670 15.762 0.222 187 HG21 VAL 25 3HG2 VAL 25 8.437 14.163 2.994 188 HG22 VAL 25 1HG2 VAL 25 7.578 14.544 1.502 189 HG23 VAL 25 2HG2 VAL 25 8.064 12.883 1.839 190 H LEU 26 H LEU 26 12.466 13.358 2.055 191 HA LEU 26 HA LEU 26 13.992 14.505 0.005 192 HB2 LEU 26 2HB LEU 26 15.586 14.756 1.571 193 HB3 LEU 26 3HB LEU 26 14.280 14.295 2.661 194 HG LEU 26 HG LEU 26 15.248 11.870 2.204 195 HD11 LEU 26 1HD1 LEU 26 17.827 13.341 2.178 196 HD12 LEU 26 2HD1 LEU 26 16.978 13.123 0.649 197 HD13 LEU 26 3HD1 LEU 26 17.441 11.717 1.608 198 HD21 LEU 26 3HD2 LEU 26 15.046 13.165 4.364 199 HD22 LEU 26 1HD2 LEU 26 16.688 13.739 4.071 200 HD23 LEU 26 2HD2 LEU 26 16.381 12.014 4.276 201 H ASP 27 H ASP 27 13.450 11.190 0.901 202 HA ASP 27 HA ASP 27 15.670 10.082 -0.497 203 HB2 ASP 27 2HB ASP 27 13.803 9.110 1.277 204 HB3 ASP 27 3HB ASP 27 13.323 8.347 -0.236 205 H LEU 28 H LEU 28 12.380 10.911 -1.366 206 HA LEU 28 HA LEU 28 12.505 9.593 -3.927 207 HB2 LEU 28 2HB LEU 28 10.436 10.122 -2.429 208 HB3 LEU 28 3HB LEU 28 10.493 11.690 -3.232 209 HG LEU 28 HG LEU 28 10.548 9.380 -5.046 210 HD11 LEU 28 1HD1 LEU 28 8.967 8.820 -3.048 211 HD12 LEU 28 2HD1 LEU 28 8.423 8.569 -4.707 212 HD13 LEU 28 3HD1 LEU 28 7.902 9.998 -3.815 213 HD21 LEU 28 3HD2 LEU 28 9.414 10.791 -6.439 214 HD22 LEU 28 1HD2 LEU 28 10.238 11.973 -5.422 215 HD23 LEU 28 2HD2 LEU 28 8.546 11.578 -5.120 216 H LYS 29 H LYS 29 12.480 12.964 -2.795 217 HA LYS 29 HA LYS 29 12.738 14.169 -5.316 218 HB2 LYS 29 2HB LYS 29 13.135 15.002 -2.501 219 HB3 LYS 29 3HB LYS 29 13.954 15.972 -3.718 220 HG2 LYS 29 2HG LYS 29 11.990 17.098 -3.619 221 HG3 LYS 29 3HG LYS 29 11.563 15.908 -4.851 222 HD2 LYS 29 2HD LYS 29 11.120 15.108 -2.040 223 HD3 LYS 29 3HD LYS 29 10.069 16.380 -2.668 224 HE2 LYS 29 2HE LYS 29 10.308 14.295 -4.611 225 HE3 LYS 29 3HE LYS 29 9.862 13.593 -3.057 226 HZ1 LYS 29 3HZ LYS 29 7.877 14.675 -3.032 227 HZ2 LYS 29 1HZ LYS 29 8.063 14.517 -4.706 228 HZ3 LYS 29 2HZ LYS 29 8.430 15.984 -3.950 229 H GLN 30 H GLN 30 15.257 13.564 -2.861 230 HA GLN 30 HA GLN 30 17.432 14.367 -4.412 231 HB2 GLN 30 2HB GLN 30 18.769 13.541 -2.729 232 HB3 GLN 30 3HB GLN 30 17.241 13.715 -1.876 233 HG2 GLN 30 2HG GLN 30 17.726 11.621 -1.212 234 HG3 GLN 30 3HG GLN 30 16.952 11.209 -2.741 235 HE21 GLN 30 1HE2 GLN 30 18.016 9.506 -3.482 236 HE22 GLN 30 2HE2 GLN 30 19.730 9.392 -3.667 237 H PHE 31 H PHE 31 15.516 11.517 -4.563 238 HA PHE 31 HA PHE 31 17.469 9.888 -5.898 239 HB2 PHE 31 2HB PHE 31 15.807 8.713 -4.671 240 HB3 PHE 31 3HB PHE 31 14.501 9.608 -5.441 241 HD1 PHE 31 HD2 PHE 31 16.973 6.934 -5.864 242 HD2 PHE 31 HD1 PHE 31 13.681 8.995 -7.606 243 HE1 PHE 31 HE2 PHE 31 16.756 5.156 -7.551 244 HE2 PHE 31 HE1 PHE 31 13.458 7.220 -9.295 245 HZ PHE 31 HZ PHE 31 14.997 5.297 -9.269 246 H LEU 32 H LEU 32 14.446 11.463 -6.947 247 HA LEU 32 HA LEU 32 14.848 10.922 -9.698 248 HB2 LEU 32 2HB LEU 32 13.081 12.666 -10.025 249 HB3 LEU 32 3HB LEU 32 12.639 11.330 -8.964 250 HG LEU 32 HG LEU 32 13.489 13.101 -7.130 251 HD11 LEU 32 1HD1 LEU 32 13.037 14.624 -9.576 252 HD12 LEU 32 2HD1 LEU 32 13.859 15.085 -8.085 253 HD13 LEU 32 3HD1 LEU 32 12.103 15.206 -8.197 254 HD21 LEU 32 3HD2 LEU 32 10.750 12.962 -8.385 255 HD22 LEU 32 1HD2 LEU 32 11.111 13.682 -6.815 256 HD23 LEU 32 2HD2 LEU 32 11.363 11.955 -7.072 257 H LYS 33 H LYS 33 15.510 13.742 -7.666 258 HA LYS 33 HA LYS 33 16.272 15.556 -9.622 259 HB2 LYS 33 2HB LYS 33 16.414 16.750 -7.737 260 HB3 LYS 33 3HB LYS 33 16.552 15.295 -6.759 261 HG2 LYS 33 2HG LYS 33 18.920 16.334 -8.257 262 HG3 LYS 33 3HG LYS 33 18.451 17.046 -6.712 263 HD2 LYS 33 2HD LYS 33 19.085 15.222 -5.530 264 HD3 LYS 33 3HD LYS 33 18.580 14.097 -6.793 265 HE2 LYS 33 2HE LYS 33 20.781 13.825 -7.133 266 HE3 LYS 33 3HE LYS 33 20.671 15.360 -7.994 267 HZ1 LYS 33 3HZ LYS 33 22.387 15.739 -6.536 268 HZ2 LYS 33 1HZ LYS 33 21.702 14.819 -5.293 269 HZ3 LYS 33 2HZ LYS 33 21.079 16.349 -5.653 270 H THR 34 H THR 34 17.949 12.780 -8.385 271 HA THR 34 HA THR 34 20.523 13.540 -9.430 272 HB THR 34 HB THR 34 19.761 11.756 -7.517 273 HG1 THR 34 HG1 THR 34 21.926 11.369 -7.395 274 HG21 THR 34 3HG2 THR 34 19.002 10.237 -9.419 275 HG22 THR 34 1HG2 THR 34 20.091 9.531 -8.226 276 HG23 THR 34 2HG2 THR 34 20.713 10.038 -9.796 277 H LEU 35 H LEU 35 17.717 11.907 -10.606 278 HA LEU 35 HA LEU 35 19.028 10.506 -12.736 279 HB2 LEU 35 2HB LEU 35 16.116 11.217 -12.668 280 HB3 LEU 35 3HB LEU 35 16.892 9.826 -13.423 281 HG LEU 35 HG LEU 35 16.567 10.266 -10.455 282 HD11 LEU 35 1HD1 LEU 35 15.288 7.992 -11.820 283 HD12 LEU 35 2HD1 LEU 35 14.600 9.580 -12.158 284 HD13 LEU 35 3HD1 LEU 35 14.704 9.001 -10.496 285 HD21 LEU 35 3HD2 LEU 35 17.472 8.071 -10.176 286 HD22 LEU 35 1HD2 LEU 35 18.609 9.009 -11.145 287 HD23 LEU 35 2HD2 LEU 35 17.556 7.826 -11.921 288 H THR 36 H THR 36 16.734 13.241 -12.734 289 HA THR 36 HA THR 36 18.188 14.363 -15.027 290 HB THR 36 HB THR 36 16.281 13.279 -16.021 291 HG1 THR 36 HG1 THR 36 16.287 15.064 -17.163 292 HG21 THR 36 3HG2 THR 36 14.032 13.595 -15.334 293 HG22 THR 36 1HG2 THR 36 14.477 14.898 -14.232 294 HG23 THR 36 2HG2 THR 36 14.946 13.237 -13.869 295 H GLY 37 H GLY 37 16.235 14.813 -12.183 296 HA2 GLY 37 2HA GLY 37 15.766 17.585 -12.392 297 HA3 GLY 37 3HA GLY 37 15.785 16.660 -10.897 298 H VAL 38 H VAL 38 16.675 18.985 -10.412 299 HA VAL 38 HA VAL 38 19.608 18.924 -10.701 300 HB VAL 38 HB VAL 38 18.927 20.925 -11.693 301 HG11 VAL 38 1HG1 VAL 38 17.351 22.422 -10.061 302 HG12 VAL 38 2HG1 VAL 38 16.756 21.410 -11.378 303 HG13 VAL 38 3HG1 VAL 38 16.756 20.797 -9.724 304 HG21 VAL 38 3HG2 VAL 38 19.462 21.652 -8.813 305 HG22 VAL 38 1HG2 VAL 38 20.693 21.243 -10.009 306 HG23 VAL 38 2HG2 VAL 38 19.706 22.690 -10.218 307 H LEU 39 H LEU 39 20.885 19.016 -8.917 308 HA LEU 39 HA LEU 39 19.949 18.115 -6.466 309 HB2 LEU 39 2HB LEU 39 22.180 19.187 -5.630 310 HB3 LEU 39 3HB LEU 39 22.198 17.794 -6.710 311 HG LEU 39 HG LEU 39 23.842 19.701 -7.170 312 HD11 LEU 39 1HD1 LEU 39 24.023 18.665 -9.120 313 HD12 LEU 39 2HD1 LEU 39 22.562 19.454 -9.712 314 HD13 LEU 39 3HD1 LEU 39 22.447 17.921 -8.847 315 HD21 LEU 39 3HD2 LEU 39 22.946 21.531 -8.538 316 HD22 LEU 39 1HD2 LEU 39 22.291 21.552 -6.900 317 HD23 LEU 39 2HD2 LEU 39 21.308 20.948 -8.234 318 HA PRO 40 HA PRO 40 18.237 21.600 -4.412 319 HB2 PRO 40 2HB PRO 40 18.809 20.986 -1.830 320 HB3 PRO 40 3HB PRO 40 17.571 20.140 -2.767 321 HG2 PRO 40 2HG PRO 40 20.388 19.320 -2.174 322 HG3 PRO 40 3HG PRO 40 18.909 18.342 -2.147 323 HD2 PRO 40 2HD PRO 40 20.650 18.293 -4.220 324 HD3 PRO 40 3HD PRO 40 18.903 18.061 -4.434 325 H GLU 41 H GLU 41 21.596 20.799 -4.016 326 HA GLU 41 HA GLU 41 22.494 22.850 -2.382 327 HB2 GLU 41 2HB GLU 41 23.983 21.082 -3.039 328 HB3 GLU 41 3HB GLU 41 23.832 21.514 -4.736 329 HG2 GLU 41 2HG GLU 41 25.967 22.214 -3.679 330 HG3 GLU 41 3HG GLU 41 25.052 23.530 -4.415 331 H ARG 42 H ARG 42 21.782 22.879 -5.836 332 HA ARG 42 HA ARG 42 22.408 25.747 -5.927 333 HB2 ARG 42 2HB ARG 42 22.340 23.574 -7.967 334 HB3 ARG 42 3HB ARG 42 21.969 25.211 -8.491 335 HG2 ARG 42 2HG ARG 42 24.178 25.367 -8.798 336 HG3 ARG 42 3HG ARG 42 24.227 25.630 -7.054 337 HD2 ARG 42 2HD ARG 42 24.311 23.011 -6.977 338 HD3 ARG 42 3HD ARG 42 24.894 23.187 -8.631 339 HE ARG 42 HE ARG 42 26.304 24.864 -6.799 340 HH11 ARG 42 1HH1 ARG 42 26.069 21.618 -8.036 341 HH12 ARG 42 2HH1 ARG 42 27.720 21.226 -7.688 342 HH21 ARG 42 1HH2 ARG 42 28.480 24.360 -6.335 343 HH22 ARG 42 2HH2 ARG 42 29.090 22.786 -6.719 344 H GLN 43 H GLN 43 19.871 23.393 -6.634 345 HA GLN 43 HA GLN 43 17.985 25.563 -7.178 346 HB2 GLN 43 2HB GLN 43 16.664 24.042 -8.297 347 HB3 GLN 43 3HB GLN 43 18.261 23.360 -8.576 348 HG2 GLN 43 2HG GLN 43 17.112 21.492 -7.962 349 HG3 GLN 43 3HG GLN 43 17.730 22.014 -6.395 350 HE21 GLN 43 1HE2 GLN 43 15.927 20.639 -5.661 351 HE22 GLN 43 2HE2 GLN 43 14.365 21.359 -5.503 352 H LYS 44 H LYS 44 15.867 25.531 -6.159 353 HA LYS 44 HA LYS 44 15.880 24.285 -3.491 354 HB2 LYS 44 2HB LYS 44 14.801 26.302 -2.590 355 HB3 LYS 44 3HB LYS 44 16.395 26.654 -3.245 356 HG2 LYS 44 2HG LYS 44 15.215 28.405 -4.097 357 HG3 LYS 44 3HG LYS 44 15.015 27.238 -5.406 358 HD2 LYS 44 2HD LYS 44 12.805 27.134 -5.096 359 HD3 LYS 44 3HD LYS 44 12.984 26.945 -3.350 360 HE2 LYS 44 2HE LYS 44 13.515 29.473 -3.367 361 HE3 LYS 44 3HE LYS 44 12.781 29.459 -4.970 362 HZ1 LYS 44 3HZ LYS 44 10.861 29.708 -3.904 363 HZ2 LYS 44 1HZ LYS 44 11.533 29.332 -2.398 364 HZ3 LYS 44 2HZ LYS 44 11.007 28.093 -3.421 365 H LEU 45 H LEU 45 13.964 23.443 -2.777 366 HA LEU 45 HA LEU 45 12.017 22.761 -4.715 367 HB2 LEU 45 2HB LEU 45 12.177 22.455 -1.736 368 HB3 LEU 45 3HB LEU 45 10.737 21.973 -2.632 369 HG LEU 45 HG LEU 45 12.067 20.028 -2.231 370 HD11 LEU 45 1HD1 LEU 45 11.619 19.249 -4.258 371 HD12 LEU 45 2HD1 LEU 45 12.927 20.194 -4.968 372 HD13 LEU 45 3HD1 LEU 45 11.326 20.909 -4.778 373 HD21 LEU 45 3HD2 LEU 45 14.205 21.204 -1.849 374 HD22 LEU 45 1HD2 LEU 45 14.351 21.455 -3.588 375 HD23 LEU 45 2HD2 LEU 45 14.369 19.819 -2.929 376 H LEU 46 H LEU 46 10.068 23.618 -5.191 377 HA LEU 46 HA LEU 46 9.493 26.271 -4.220 378 HB2 LEU 46 2HB LEU 46 8.225 24.465 -6.254 379 HB3 LEU 46 3HB LEU 46 7.474 25.985 -5.772 380 HG LEU 46 HG LEU 46 8.651 26.348 -7.816 381 HD11 LEU 46 1HD1 LEU 46 10.658 27.519 -6.005 382 HD12 LEU 46 2HD1 LEU 46 8.974 27.882 -5.630 383 HD13 LEU 46 3HD1 LEU 46 9.631 28.286 -7.216 384 HD21 LEU 46 3HD2 LEU 46 10.363 24.377 -6.937 385 HD22 LEU 46 1HD2 LEU 46 11.354 25.835 -6.874 386 HD23 LEU 46 2HD2 LEU 46 10.571 25.365 -8.384 387 H GLY 47 H GLY 47 7.462 23.342 -4.488 388 HA2 GLY 47 2HA GLY 47 5.843 24.330 -2.257 389 HA3 GLY 47 3HA GLY 47 5.411 23.024 -3.350 390 H LEU 48 H LEU 48 8.124 23.708 -1.135 391 HA LEU 48 HA LEU 48 8.629 21.033 -0.490 392 HB2 LEU 48 2HB LEU 48 10.035 21.837 1.222 393 HB3 LEU 48 3HB LEU 48 10.124 23.012 -0.088 394 HG LEU 48 HG LEU 48 10.082 24.211 1.969 395 HD11 LEU 48 1HD1 LEU 48 7.298 24.335 0.826 396 HD12 LEU 48 2HD1 LEU 48 8.712 25.082 0.084 397 HD13 LEU 48 3HD1 LEU 48 8.166 25.614 1.675 398 HD21 LEU 48 3HD2 LEU 48 8.749 22.111 3.016 399 HD22 LEU 48 1HD2 LEU 48 7.431 23.271 2.842 400 HD23 LEU 48 2HD2 LEU 48 8.858 23.694 3.789 401 H LYS 49 H LYS 49 6.033 23.005 0.382 402 HA LYS 49 HA LYS 49 5.317 21.167 2.572 403 HB2 LYS 49 2HB LYS 49 3.828 23.250 3.242 404 HB3 LYS 49 3HB LYS 49 5.502 23.116 3.764 405 HG2 LYS 49 2HG LYS 49 6.184 24.840 2.482 406 HG3 LYS 49 3HG LYS 49 5.058 24.458 1.177 407 HD2 LYS 49 2HD LYS 49 3.311 25.607 2.175 408 HD3 LYS 49 3HD LYS 49 4.030 25.505 3.784 409 HE2 LYS 49 2HE LYS 49 5.879 27.004 2.857 410 HE3 LYS 49 3HE LYS 49 4.796 27.299 1.498 411 HZ1 LYS 49 3HZ LYS 49 4.664 28.288 4.208 412 HZ2 LYS 49 1HZ LYS 49 3.185 27.736 3.599 413 HZ3 LYS 49 2HZ LYS 49 4.037 28.948 2.782 414 H VAL 50 H VAL 50 3.193 20.445 2.674 415 HA VAL 50 HA VAL 50 1.342 21.288 0.576 416 HB VAL 50 HB VAL 50 2.620 19.331 -0.307 417 HG11 VAL 50 1HG1 VAL 50 1.152 17.447 1.409 418 HG12 VAL 50 2HG1 VAL 50 2.795 17.361 0.770 419 HG13 VAL 50 3HG1 VAL 50 2.454 18.332 2.203 420 HG21 VAL 50 3HG2 VAL 50 0.080 18.042 -0.194 421 HG22 VAL 50 1HG2 VAL 50 -0.171 19.786 -0.269 422 HG23 VAL 50 2HG2 VAL 50 0.787 18.978 -1.511 423 H LYS 51 H LYS 51 -0.811 21.037 1.092 424 HA LYS 51 HA LYS 51 -2.622 20.957 2.470 425 HB2 LYS 51 2HB LYS 51 -1.179 18.515 3.519 426 HB3 LYS 51 3HB LYS 51 -2.865 18.906 3.833 427 HG2 LYS 51 2HG LYS 51 -2.766 18.994 1.108 428 HG3 LYS 51 3HG LYS 51 -1.619 17.706 1.481 429 HD2 LYS 51 2HD LYS 51 -3.528 16.901 3.093 430 HD3 LYS 51 3HD LYS 51 -4.551 17.858 2.018 431 HE2 LYS 51 2HE LYS 51 -3.838 16.573 0.114 432 HE3 LYS 51 3HE LYS 51 -2.653 15.707 1.090 433 HZ1 LYS 51 3HZ LYS 51 -4.657 14.396 0.706 434 HZ2 LYS 51 1HZ LYS 51 -5.597 15.582 1.463 435 HZ3 LYS 51 2HZ LYS 51 -4.446 14.720 2.353 436 H GLY 52 H GLY 52 -0.319 22.528 3.330 437 HA2 GLY 52 2HA GLY 52 -0.047 23.946 5.156 438 HA3 GLY 52 3HA GLY 52 -1.156 22.936 6.071 439 H LYS 53 H LYS 53 0.783 20.693 4.932 440 HA LYS 53 HA LYS 53 2.329 20.547 7.362 441 HB2 LYS 53 2HB LYS 53 2.104 18.737 4.958 442 HB3 LYS 53 3HB LYS 53 3.173 18.401 6.313 443 HG2 LYS 53 2HG LYS 53 0.188 18.734 6.523 444 HG3 LYS 53 3HG LYS 53 1.033 17.187 6.435 445 HD2 LYS 53 2HD LYS 53 1.480 17.241 8.615 446 HD3 LYS 53 3HD LYS 53 2.188 18.852 8.480 447 HE2 LYS 53 2HE LYS 53 -0.286 19.642 8.388 448 HE3 LYS 53 3HE LYS 53 -0.634 18.064 9.091 449 HZ1 LYS 53 3HZ LYS 53 0.029 20.283 10.484 450 HZ2 LYS 53 1HZ LYS 53 1.506 19.461 10.407 451 HZ3 LYS 53 2HZ LYS 53 0.148 18.699 11.066 452 HA PRO 54 HA PRO 54 6.084 22.302 5.905 453 HB2 PRO 54 2HB PRO 54 7.882 20.908 7.387 454 HB3 PRO 54 3HB PRO 54 6.836 22.158 8.071 455 HG2 PRO 54 2HG PRO 54 6.515 19.182 8.124 456 HG3 PRO 54 3HG PRO 54 6.257 20.359 9.425 457 HD2 PRO 54 2HD PRO 54 4.218 19.305 7.988 458 HD3 PRO 54 3HD PRO 54 4.172 20.954 8.644 459 H ALA 55 H ALA 55 5.747 18.798 5.886 460 HA ALA 55 HA ALA 55 6.892 17.169 4.710 461 HB1 ALA 55 1HB ALA 55 5.975 19.155 2.644 462 HB2 ALA 55 2HB ALA 55 6.628 17.568 2.233 463 HB3 ALA 55 3HB ALA 55 5.153 17.694 3.192 464 H GLU 56 H GLU 56 8.781 18.816 5.881 465 HA GLU 56 HA GLU 56 10.644 19.991 4.167 466 HB2 GLU 56 2HB GLU 56 10.739 20.353 6.557 467 HB3 GLU 56 3HB GLU 56 11.048 18.645 6.842 468 HG2 GLU 56 2HG GLU 56 13.216 19.044 6.754 469 HG3 GLU 56 3HG GLU 56 13.043 19.542 5.072 470 H ASN 57 H ASN 57 11.397 16.991 5.902 471 HA ASN 57 HA ASN 57 12.003 15.569 3.469 472 HB2 ASN 57 2HB ASN 57 14.425 15.170 4.494 473 HB3 ASN 57 3HB ASN 57 14.094 16.514 3.405 474 HD21 ASN 57 1HD2 ASN 57 15.260 18.166 4.071 475 HD22 ASN 57 2HD2 ASN 57 15.368 18.740 5.697 476 H ASP 58 H ASP 58 12.201 15.737 6.984 477 HA ASP 58 HA ASP 58 12.591 12.974 7.437 478 HB2 ASP 58 2HB ASP 58 13.078 14.589 9.177 479 HB3 ASP 58 3HB ASP 58 11.396 15.112 9.210 480 H VAL 59 H VAL 59 9.965 14.605 6.185 481 HA VAL 59 HA VAL 59 7.871 13.016 7.353 482 HB VAL 59 HB VAL 59 7.715 14.695 4.849 483 HG11 VAL 59 1HG1 VAL 59 5.829 13.234 5.089 484 HG12 VAL 59 2HG1 VAL 59 5.635 13.688 6.784 485 HG13 VAL 59 3HG1 VAL 59 5.322 14.869 5.512 486 HG21 VAL 59 3HG2 VAL 59 8.054 15.486 7.621 487 HG22 VAL 59 1HG2 VAL 59 8.139 16.455 6.151 488 HG23 VAL 59 2HG2 VAL 59 6.579 16.144 6.913 489 H LYS 60 H LYS 60 6.691 11.373 6.378 490 HA LYS 60 HA LYS 60 8.153 9.885 4.337 491 HB2 LYS 60 2HB LYS 60 5.832 9.130 6.117 492 HB3 LYS 60 3HB LYS 60 6.524 8.060 4.905 493 HG2 LYS 60 2HG LYS 60 8.752 8.496 6.155 494 HG3 LYS 60 3HG LYS 60 7.704 9.020 7.475 495 HD2 LYS 60 2HD LYS 60 6.486 6.732 6.920 496 HD3 LYS 60 3HD LYS 60 8.086 6.314 6.301 497 HE2 LYS 60 2HE LYS 60 9.068 6.439 8.376 498 HE3 LYS 60 3HE LYS 60 7.864 7.568 8.996 499 HZ1 LYS 60 3HZ LYS 60 6.821 5.860 9.907 500 HZ2 LYS 60 1HZ LYS 60 7.931 4.769 9.243 501 HZ3 LYS 60 2HZ LYS 60 6.544 5.197 8.376 502 H LEU 61 H LEU 61 7.154 9.075 2.447 503 HA LEU 61 HA LEU 61 5.658 10.852 0.970 504 HB2 LEU 61 2HB LEU 61 5.487 7.880 0.571 505 HB3 LEU 61 3HB LEU 61 5.388 9.152 -0.645 506 HG LEU 61 HG LEU 61 7.861 8.295 0.858 507 HD11 LEU 61 1HD1 LEU 61 8.596 7.310 -1.121 508 HD12 LEU 61 2HD1 LEU 61 7.389 8.145 -2.098 509 HD13 LEU 61 3HD1 LEU 61 6.899 6.838 -1.021 510 HD21 LEU 61 3HD2 LEU 61 9.058 9.891 -0.504 511 HD22 LEU 61 1HD2 LEU 61 7.800 10.722 0.411 512 HD23 LEU 61 2HD2 LEU 61 7.563 10.379 -1.303 513 H GLY 62 H GLY 62 4.499 8.054 2.828 514 HA2 GLY 62 2HA GLY 62 1.747 8.521 2.153 515 HA3 GLY 62 3HA GLY 62 2.350 7.386 3.352 516 H ALA 63 H ALA 63 3.870 9.965 4.352 517 HA ALA 63 HA ALA 63 1.895 10.575 6.369 518 HB1 ALA 63 1HB ALA 63 4.329 10.270 6.860 519 HB2 ALA 63 2HB ALA 63 4.626 11.801 6.037 520 HB3 ALA 63 3HB ALA 63 3.632 11.761 7.493 521 H LEU 64 H LEU 64 3.317 12.142 3.573 522 HA LEU 64 HA LEU 64 2.277 14.740 4.136 523 HB2 LEU 64 2HB LEU 64 2.919 13.833 1.368 524 HB3 LEU 64 3HB LEU 64 3.195 15.400 2.125 525 HG LEU 64 HG LEU 64 4.755 13.234 3.318 526 HD11 LEU 64 1HD1 LEU 64 6.114 12.659 1.560 527 HD12 LEU 64 2HD1 LEU 64 5.679 14.082 0.614 528 HD13 LEU 64 3HD1 LEU 64 4.545 12.739 0.760 529 HD21 LEU 64 3HD2 LEU 64 6.425 14.863 3.401 530 HD22 LEU 64 1HD2 LEU 64 4.930 15.774 3.615 531 HD23 LEU 64 2HD2 LEU 64 5.742 15.767 2.049 532 H LYS 65 H LYS 65 1.028 11.876 2.657 533 HA LYS 65 HA LYS 65 -1.020 11.335 1.830 534 HB2 LYS 65 2HB LYS 65 -1.972 13.977 2.936 535 HB3 LYS 65 3HB LYS 65 -2.939 12.545 2.607 536 HG2 LYS 65 2HG LYS 65 -0.765 12.698 4.684 537 HG3 LYS 65 3HG LYS 65 -2.487 12.909 5.009 538 HD2 LYS 65 2HD LYS 65 -2.936 10.653 4.233 539 HD3 LYS 65 3HD LYS 65 -1.237 10.439 3.805 540 HE2 LYS 65 2HE LYS 65 -0.642 10.773 6.185 541 HE3 LYS 65 3HE LYS 65 -2.359 10.867 6.572 542 HZ1 LYS 65 3HZ LYS 65 -2.017 8.546 5.109 543 HZ2 LYS 65 1HZ LYS 65 -2.340 8.675 6.764 544 HZ3 LYS 65 2HZ LYS 65 -0.742 8.575 6.220 545 H LEU 66 H LEU 66 0.817 12.650 0.123 546 HA LEU 66 HA LEU 66 -0.762 14.506 -1.472 547 HB2 LEU 66 2HB LEU 66 2.075 13.764 -1.256 548 HB3 LEU 66 3HB LEU 66 1.518 14.122 -2.889 549 HG LEU 66 HG LEU 66 1.135 16.017 -0.581 550 HD11 LEU 66 1HD1 LEU 66 3.441 15.933 -0.656 551 HD12 LEU 66 2HD1 LEU 66 3.080 17.226 -1.798 552 HD13 LEU 66 3HD1 LEU 66 3.480 15.613 -2.390 553 HD21 LEU 66 3HD2 LEU 66 0.460 15.987 -3.420 554 HD22 LEU 66 1HD2 LEU 66 1.327 17.438 -2.917 555 HD23 LEU 66 2HD2 LEU 66 -0.175 16.986 -2.112 556 H LYS 67 H LYS 67 -1.181 14.173 -3.708 557 HA LYS 67 HA LYS 67 -2.068 11.549 -4.327 558 HB2 LYS 67 2HB LYS 67 -2.101 14.196 -5.634 559 HB3 LYS 67 3HB LYS 67 -2.141 12.818 -6.726 560 HG2 LYS 67 2HG LYS 67 -4.223 12.203 -6.098 561 HG3 LYS 67 3HG LYS 67 -3.999 12.740 -4.431 562 HD2 LYS 67 2HD LYS 67 -4.124 15.097 -5.265 563 HD3 LYS 67 3HD LYS 67 -4.562 14.452 -6.849 564 HE2 LYS 67 2HE LYS 67 -6.353 13.153 -5.348 565 HE3 LYS 67 3HE LYS 67 -6.133 14.583 -4.340 566 HZ1 LYS 67 3HZ LYS 67 -6.727 14.753 -7.236 567 HZ2 LYS 67 1HZ LYS 67 -6.827 15.982 -6.079 568 HZ3 LYS 67 2HZ LYS 67 -7.941 14.710 -6.059 569 HA PRO 68 HA PRO 68 1.350 9.722 -6.383 570 HB2 PRO 68 2HB PRO 68 0.170 8.451 -8.472 571 HB3 PRO 68 3HB PRO 68 0.010 7.903 -6.799 572 HG2 PRO 68 2HG PRO 68 -1.892 9.517 -8.453 573 HG3 PRO 68 3HG PRO 68 -2.233 8.167 -7.355 574 HD2 PRO 68 2HD PRO 68 -2.608 10.753 -6.645 575 HD3 PRO 68 3HD PRO 68 -2.129 9.502 -5.479 576 H ASN 69 H ASN 69 -0.858 11.530 -8.477 577 HA ASN 69 HA ASN 69 1.085 11.833 -10.576 578 HB2 ASN 69 2HB ASN 69 -1.404 13.498 -10.278 579 HB3 ASN 69 3HB ASN 69 -0.579 13.009 -11.755 580 HD21 ASN 69 1HD2 ASN 69 -3.346 12.622 -10.363 581 HD22 ASN 69 2HD2 ASN 69 -3.690 10.959 -10.684 582 H THR 70 H THR 70 0.439 13.393 -7.631 583 HA THR 70 HA THR 70 0.824 16.011 -7.800 584 HB THR 70 HB THR 70 2.420 14.170 -6.013 585 HG1 THR 70 HG1 THR 70 0.689 14.232 -4.769 586 HG21 THR 70 3HG2 THR 70 2.495 16.296 -4.558 587 HG22 THR 70 1HG2 THR 70 2.171 17.162 -6.060 588 HG23 THR 70 2HG2 THR 70 3.623 16.172 -5.907 589 H LYS 71 H LYS 71 2.125 17.386 -8.810 590 HA LYS 71 HA LYS 71 4.607 16.385 -9.984 591 HB2 LYS 71 2HB LYS 71 3.375 19.098 -10.437 592 HB3 LYS 71 3HB LYS 71 4.525 18.245 -11.458 593 HG2 LYS 71 2HG LYS 71 2.750 17.665 -12.670 594 HG3 LYS 71 3HG LYS 71 2.414 16.506 -11.382 595 HD2 LYS 71 2HD LYS 71 0.414 17.548 -11.324 596 HD3 LYS 71 3HD LYS 71 1.285 18.731 -10.346 597 HE2 LYS 71 2HE LYS 71 1.323 20.281 -12.010 598 HE3 LYS 71 3HE LYS 71 1.394 19.068 -13.287 599 HZ1 LYS 71 3HZ LYS 71 -0.751 19.463 -13.606 600 HZ2 LYS 71 1HZ LYS 71 -0.869 20.412 -12.210 601 HZ3 LYS 71 2HZ LYS 71 -1.065 18.735 -12.111 602 H ILE 72 H ILE 72 6.607 17.374 -9.672 603 HA ILE 72 HA ILE 72 6.755 19.153 -7.326 604 HB ILE 72 HB ILE 72 8.848 17.177 -8.243 605 HG12 ILE 72 2HG1 ILE 72 6.914 16.000 -7.353 606 HG13 ILE 72 3HG1 ILE 72 8.237 15.923 -6.193 607 HG21 ILE 72 1HG2 ILE 72 9.964 18.929 -7.157 608 HG22 ILE 72 2HG2 ILE 72 8.694 19.102 -5.946 609 HG23 ILE 72 3HG2 ILE 72 9.756 17.694 -5.915 610 HD11 ILE 72 3HD1 ILE 72 6.168 16.326 -5.045 611 HD12 ILE 72 1HD1 ILE 72 7.189 17.759 -4.931 612 HD13 ILE 72 2HD1 ILE 72 5.835 17.728 -6.061 613 H MET 73 H MET 73 7.639 21.092 -7.622 614 HA MET 73 HA MET 73 8.945 21.647 -10.185 615 HB2 MET 73 2HB MET 73 7.842 23.532 -8.094 616 HB3 MET 73 3HB MET 73 8.561 24.025 -9.622 617 HG2 MET 73 2HG MET 73 6.781 23.213 -10.868 618 HG3 MET 73 3HG MET 73 6.223 22.165 -9.567 619 HE1 MET 73 3HE MET 73 4.326 23.521 -11.142 620 HE2 MET 73 1HE MET 73 3.423 24.826 -10.372 621 HE3 MET 73 2HE MET 73 4.803 25.199 -11.405 622 H MET 74 H MET 74 10.990 22.495 -10.340 623 HA MET 74 HA MET 74 12.488 22.911 -7.852 624 HB2 MET 74 2HB MET 74 13.539 21.308 -10.188 625 HB3 MET 74 3HB MET 74 14.366 21.618 -8.667 626 HG2 MET 74 2HG MET 74 12.947 20.197 -7.472 627 HG3 MET 74 3HG MET 74 11.746 20.171 -8.761 628 HE1 MET 74 3HE MET 74 13.761 18.284 -6.874 629 HE2 MET 74 1HE MET 74 12.697 17.112 -7.651 630 HE3 MET 74 2HE MET 74 14.445 16.969 -7.830 631 H MET 75 H MET 75 13.309 24.890 -7.898 632 HA MET 75 HA MET 75 13.969 26.090 -10.499 633 HB2 MET 75 2HB MET 75 13.415 27.404 -7.833 634 HB3 MET 75 3HB MET 75 13.833 28.261 -9.311 635 HG2 MET 75 2HG MET 75 11.588 26.466 -9.681 636 HG3 MET 75 3HG MET 75 11.296 27.660 -8.418 637 HE1 MET 75 3HE MET 75 10.855 26.765 -11.797 638 HE2 MET 75 1HE MET 75 9.472 27.698 -11.224 639 HE3 MET 75 2HE MET 75 10.405 28.265 -12.609 640 H GLY 76 H GLY 76 16.032 26.421 -11.015 641 HA2 GLY 76 2HA GLY 76 18.066 27.461 -9.559 642 HA3 GLY 76 3HA GLY 76 18.104 25.761 -9.113 643 H THR 77 H THR 77 20.202 25.610 -10.041 644 HA THR 77 HA THR 77 20.116 25.298 -12.961 645 HB THR 77 HB THR 77 21.275 27.367 -12.680 646 HG1 THR 77 HG1 THR 77 22.717 26.660 -14.046 647 HG21 THR 77 3HG2 THR 77 22.149 26.195 -10.232 648 HG22 THR 77 1HG2 THR 77 22.321 27.863 -10.778 649 HG23 THR 77 2HG2 THR 77 23.568 26.677 -11.162 650 H ARG 78 H ARG 78 21.431 23.670 -13.809 651 HA ARG 78 HA ARG 78 21.838 21.426 -12.147 652 HB2 ARG 78 2HB ARG 78 22.489 22.111 -14.981 653 HB3 ARG 78 3HB ARG 78 23.245 20.695 -14.263 654 HG2 ARG 78 2HG ARG 78 21.427 19.600 -14.934 655 HG3 ARG 78 3HG ARG 78 20.618 20.371 -13.568 656 HD2 ARG 78 2HD ARG 78 19.191 21.069 -15.173 657 HD3 ARG 78 3HD ARG 78 20.403 22.331 -15.390 658 HE ARG 78 HE ARG 78 21.227 20.338 -17.046 659 HH11 ARG 78 1HH1 ARG 78 18.249 22.095 -16.645 660 HH12 ARG 78 2HH1 ARG 78 17.795 21.964 -18.312 661 HH21 ARG 78 1HH2 ARG 78 20.641 20.158 -19.243 662 HH22 ARG 78 2HH2 ARG 78 19.156 20.861 -19.788 663 H GLU 79 H GLU 79 23.851 20.316 -11.713 664 HA GLU 79 HA GLU 79 25.737 21.837 -10.395 665 HB2 GLU 79 2HB GLU 79 27.228 19.788 -10.629 666 HB3 GLU 79 3HB GLU 79 25.653 19.533 -9.891 667 HG2 GLU 79 2HG GLU 79 25.053 18.084 -11.457 668 HG3 GLU 79 3HG GLU 79 25.551 19.167 -12.754 669 H GLU 80 H GLU 80 28.106 21.976 -10.896 670 HA GLU 80 HA GLU 80 28.512 22.622 -13.743 671 HB2 GLU 80 2HB GLU 80 29.436 24.067 -11.269 672 HB3 GLU 80 3HB GLU 80 30.219 24.305 -12.825 673 HG2 GLU 80 2HG GLU 80 28.685 25.790 -13.380 674 HG3 GLU 80 3HG GLU 80 27.427 24.566 -13.215 675 H SER 81 H SER 81 30.549 22.199 -14.642 676 HA SER 81 HA SER 81 32.562 20.863 -13.038 677 HB2 SER 81 2HB SER 81 32.593 18.920 -14.718 678 HB3 SER 81 3HB SER 81 31.300 18.924 -13.519 679 HG SER 81 HG SER 81 31.098 18.938 -16.177 680 HN1 NH2 90 H1 NH2 90 34.616 21.057 -16.134 Start of MODEL 13 1 H1 MET 1 H MET 1 3.240 -0.708 0.537 2 HA MET 1 HA MET 1 3.940 -1.126 -1.682 3 HB2 MET 1 2HB MET 1 1.408 0.337 -2.449 4 HB3 MET 1 3HB MET 1 2.580 -0.321 -3.583 5 HG2 MET 1 2HG MET 1 1.860 -2.408 -1.827 6 HG3 MET 1 3HG MET 1 0.373 -1.607 -2.331 7 HE1 MET 1 3HE MET 1 1.086 -4.891 -3.498 8 HE2 MET 1 1HE MET 1 -0.247 -3.830 -3.043 9 HE3 MET 1 2HE MET 1 -0.072 -4.356 -4.717 10 H ALA 2 H ALA 2 4.418 0.578 -3.592 11 HA ALA 2 HA ALA 2 5.721 2.789 -2.246 12 HB1 ALA 2 1HB ALA 2 7.258 2.452 -3.806 13 HB2 ALA 2 2HB ALA 2 6.232 1.234 -4.564 14 HB3 ALA 2 3HB ALA 2 6.104 2.923 -5.054 15 H LEU 3 H LEU 3 5.493 4.986 -2.843 16 HA LEU 3 HA LEU 3 2.869 5.613 -4.023 17 HB2 LEU 3 2HB LEU 3 4.276 6.572 -1.671 18 HB3 LEU 3 3HB LEU 3 3.751 7.889 -2.718 19 HG LEU 3 HG LEU 3 1.950 5.760 -1.564 20 HD11 LEU 3 1HD1 LEU 3 1.253 7.290 0.043 21 HD12 LEU 3 2HD1 LEU 3 1.970 8.658 -0.807 22 HD13 LEU 3 3HD1 LEU 3 3.005 7.491 0.015 23 HD21 LEU 3 3HD2 LEU 3 1.545 8.026 -3.451 24 HD22 LEU 3 1HD2 LEU 3 0.266 7.641 -2.300 25 HD23 LEU 3 2HD2 LEU 3 0.820 6.418 -3.443 26 HA PRO 4 HA PRO 4 5.450 7.279 -7.303 27 HB2 PRO 4 2HB PRO 4 3.385 7.737 -9.005 28 HB3 PRO 4 3HB PRO 4 4.101 6.138 -8.772 29 HG2 PRO 4 2HG PRO 4 1.608 7.290 -7.581 30 HG3 PRO 4 3HG PRO 4 1.884 5.671 -8.249 31 HD2 PRO 4 2HD PRO 4 1.897 6.170 -5.588 32 HD3 PRO 4 3HD PRO 4 2.912 4.917 -6.329 33 H ILE 5 H ILE 5 5.717 9.339 -8.260 34 HA ILE 5 HA ILE 5 3.918 11.486 -7.493 35 HB ILE 5 HB ILE 5 6.823 11.533 -6.667 36 HG12 ILE 5 2HG1 ILE 5 4.286 11.416 -5.022 37 HG13 ILE 5 3HG1 ILE 5 5.481 10.134 -5.184 38 HG21 ILE 5 1HG2 ILE 5 5.350 13.636 -5.501 39 HG22 ILE 5 2HG2 ILE 5 6.651 13.744 -6.685 40 HG23 ILE 5 3HG2 ILE 5 4.976 13.636 -7.224 41 HD11 ILE 5 3HD1 ILE 5 6.904 12.370 -4.315 42 HD12 ILE 5 1HD1 ILE 5 5.415 12.351 -3.369 43 HD13 ILE 5 2HD1 ILE 5 6.471 10.938 -3.380 44 H ILE 6 H ILE 6 3.874 13.095 -8.965 45 HA ILE 6 HA ILE 6 5.609 12.810 -11.297 46 HB ILE 6 HB ILE 6 3.029 14.270 -10.816 47 HG12 ILE 6 2HG1 ILE 6 3.338 12.702 -13.249 48 HG13 ILE 6 3HG1 ILE 6 3.671 11.750 -11.807 49 HG21 ILE 6 1HG2 ILE 6 3.248 15.063 -13.202 50 HG22 ILE 6 2HG2 ILE 6 4.277 15.876 -12.024 51 HG23 ILE 6 3HG2 ILE 6 4.959 14.649 -13.091 52 HD11 ILE 6 3HD1 ILE 6 1.313 13.295 -11.383 53 HD12 ILE 6 1HD1 ILE 6 1.178 12.423 -12.909 54 HD13 ILE 6 2HD1 ILE 6 1.508 11.543 -11.417 55 H VAL 7 H VAL 7 6.995 14.366 -12.019 56 HA VAL 7 HA VAL 7 7.264 16.796 -10.374 57 HB VAL 7 HB VAL 7 9.053 15.234 -9.783 58 HG11 VAL 7 1HG1 VAL 7 8.998 14.555 -12.473 59 HG12 VAL 7 2HG1 VAL 7 10.542 15.383 -12.262 60 HG13 VAL 7 3HG1 VAL 7 10.147 13.982 -11.265 61 HG21 VAL 7 3HG2 VAL 7 10.161 17.136 -9.445 62 HG22 VAL 7 1HG2 VAL 7 10.899 16.907 -11.031 63 HG23 VAL 7 2HG2 VAL 7 9.438 17.882 -10.870 64 H LYS 8 H LYS 8 7.109 18.602 -11.516 65 HA LYS 8 HA LYS 8 7.594 18.476 -14.417 66 HB2 LYS 8 2HB LYS 8 6.081 20.365 -14.637 67 HB3 LYS 8 3HB LYS 8 5.289 19.061 -13.761 68 HG2 LYS 8 2HG LYS 8 6.202 20.396 -11.670 69 HG3 LYS 8 3HG LYS 8 6.150 21.737 -12.817 70 HD2 LYS 8 2HD LYS 8 3.846 19.913 -12.126 71 HD3 LYS 8 3HD LYS 8 4.067 21.564 -11.541 72 HE2 LYS 8 2HE LYS 8 4.285 21.568 -14.380 73 HE3 LYS 8 3HE LYS 8 2.824 20.688 -13.934 74 HZ1 LYS 8 3HZ LYS 8 1.862 22.533 -13.080 75 HZ2 LYS 8 1HZ LYS 8 2.877 23.307 -14.191 76 HZ3 LYS 8 2HZ LYS 8 3.322 23.213 -12.562 77 H TRP 9 H TRP 9 9.322 19.494 -15.173 78 HA TRP 9 HA TRP 9 10.426 21.738 -13.615 79 HB2 TRP 9 2HB TRP 9 11.991 20.007 -13.295 80 HB3 TRP 9 3HB TRP 9 11.842 19.447 -14.958 81 HD1 TRP 9 HD1 TRP 9 14.183 19.784 -15.960 82 HE1 TRP 9 HE1 TRP 9 15.832 21.752 -16.142 83 HE3 TRP 9 HE3 TRP 9 11.722 23.179 -13.035 84 HZ2 TRP 9 HZ2 TRP 9 16.060 24.394 -15.174 85 HZ3 TRP 9 HZ3 TRP 9 12.723 25.404 -12.713 86 HH2 TRP 9 HH2 TRP 9 14.847 25.996 -13.761 87 H GLY 10 H GLY 10 9.711 23.447 -14.784 88 HA2 GLY 10 2HA GLY 10 10.121 25.016 -16.487 89 HA3 GLY 10 3HA GLY 10 10.807 23.734 -17.474 90 H GLY 11 H GLY 11 9.318 22.205 -18.474 91 HA2 GLY 11 2HA GLY 11 6.522 23.011 -18.602 92 HA3 GLY 11 3HA GLY 11 7.443 23.187 -20.089 93 H GLN 12 H GLN 12 8.404 20.606 -18.063 94 HA GLN 12 HA GLN 12 6.812 18.701 -19.641 95 HB2 GLN 12 2HB GLN 12 9.777 18.685 -19.131 96 HB3 GLN 12 3HB GLN 12 8.905 17.212 -19.532 97 HG2 GLN 12 2HG GLN 12 8.485 17.877 -21.683 98 HG3 GLN 12 3HG GLN 12 8.590 19.592 -21.288 99 HE21 GLN 12 1HE2 GLN 12 10.493 20.627 -21.500 100 HE22 GLN 12 2HE2 GLN 12 11.957 19.880 -22.033 101 H GLU 13 H GLU 13 6.026 16.956 -18.557 102 HA GLU 13 HA GLU 13 6.481 16.929 -15.657 103 HB2 GLU 13 2HB GLU 13 4.216 15.893 -17.359 104 HB3 GLU 13 3HB GLU 13 4.375 15.509 -15.650 105 HG2 GLU 13 2HG GLU 13 4.576 18.178 -15.528 106 HG3 GLU 13 3HG GLU 13 3.567 18.019 -16.965 107 H TYR 14 H TYR 14 7.093 15.089 -14.577 108 HA TYR 14 HA TYR 14 7.630 12.685 -16.172 109 HB2 TYR 14 2HB TYR 14 9.595 14.047 -14.320 110 HB3 TYR 14 3HB TYR 14 9.824 12.443 -15.008 111 HD1 TYR 14 HD1 TYR 14 9.487 16.032 -15.863 112 HD2 TYR 14 HD2 TYR 14 10.666 12.169 -17.200 113 HE1 TYR 14 HE1 TYR 14 10.514 17.042 -17.856 114 HE2 TYR 14 HE2 TYR 14 11.698 13.168 -19.196 115 HH TYR 14 HH TYR 14 12.618 15.354 -19.895 116 H SER 15 H SER 15 6.605 11.042 -15.267 117 HA SER 15 HA SER 15 5.743 11.153 -12.515 118 HB2 SER 15 2HB SER 15 4.611 9.021 -13.020 119 HB3 SER 15 3HB SER 15 4.243 10.248 -14.232 120 HG SER 15 HG SER 15 6.023 8.056 -14.444 121 H VAL 16 H VAL 16 6.617 10.139 -10.811 122 HA VAL 16 HA VAL 16 9.115 8.688 -11.230 123 HB VAL 16 HB VAL 16 7.838 9.667 -8.673 124 HG11 VAL 16 1HG1 VAL 16 10.253 9.278 -7.846 125 HG12 VAL 16 2HG1 VAL 16 9.176 7.889 -8.001 126 HG13 VAL 16 3HG1 VAL 16 10.390 8.206 -9.240 127 HG21 VAL 16 3HG2 VAL 16 10.305 10.939 -9.237 128 HG22 VAL 16 1HG2 VAL 16 9.311 11.028 -10.692 129 HG23 VAL 16 2HG2 VAL 16 8.696 11.656 -9.163 130 H THR 17 H THR 17 9.412 6.571 -10.787 131 HA THR 17 HA THR 17 7.368 5.078 -9.343 132 HB THR 17 HB THR 17 7.535 3.294 -11.242 133 HG1 THR 17 HG1 THR 17 8.848 4.116 -12.740 134 HG21 THR 17 3HG2 THR 17 5.651 5.154 -10.539 135 HG22 THR 17 1HG2 THR 17 5.413 3.862 -11.715 136 HG23 THR 17 2HG2 THR 17 5.870 5.476 -12.259 137 H THR 18 H THR 18 8.891 4.645 -7.760 138 HA THR 18 HA THR 18 10.395 2.338 -7.957 139 HB THR 18 HB THR 18 11.979 3.265 -9.414 140 HG1 THR 18 HG1 THR 18 13.361 2.454 -8.010 141 HG21 THR 18 3HG2 THR 18 11.330 5.751 -8.024 142 HG22 THR 18 1HG2 THR 18 11.878 5.491 -9.679 143 HG23 THR 18 2HG2 THR 18 13.050 5.567 -8.363 144 H LEU 19 H LEU 19 9.931 5.456 -6.480 145 HA LEU 19 HA LEU 19 11.199 4.672 -3.994 146 HB2 LEU 19 2HB LEU 19 10.216 7.130 -5.200 147 HB3 LEU 19 3HB LEU 19 9.774 6.985 -3.500 148 HG LEU 19 HG LEU 19 11.873 8.254 -3.908 149 HD11 LEU 19 1HD1 LEU 19 11.611 7.377 -1.744 150 HD12 LEU 19 2HD1 LEU 19 13.237 6.913 -2.241 151 HD13 LEU 19 3HD1 LEU 19 11.932 5.729 -2.283 152 HD21 LEU 19 3HD2 LEU 19 13.050 5.585 -4.658 153 HD22 LEU 19 1HD2 LEU 19 13.855 7.154 -4.633 154 HD23 LEU 19 2HD2 LEU 19 12.606 6.824 -5.833 155 H SER 20 H SER 20 10.118 4.469 -1.996 156 HA SER 20 HA SER 20 7.211 4.055 -2.160 157 HB2 SER 20 2HB SER 20 8.077 2.199 -0.282 158 HB3 SER 20 3HB SER 20 7.558 1.845 -1.930 159 HG SER 20 HG SER 20 9.681 1.033 -1.349 160 H GLU 21 H GLU 21 6.237 3.867 0.091 161 HA GLU 21 HA GLU 21 6.761 6.207 1.531 162 HB2 GLU 21 2HB GLU 21 5.379 3.746 2.605 163 HB3 GLU 21 3HB GLU 21 5.168 5.405 3.147 164 HG2 GLU 21 2HG GLU 21 4.198 5.983 0.972 165 HG3 GLU 21 3HG GLU 21 4.380 4.307 0.458 166 H ASP 22 H ASP 22 8.222 3.099 1.681 167 HA ASP 22 HA ASP 22 9.175 3.174 4.346 168 HB2 ASP 22 2HB ASP 22 9.331 1.403 2.141 169 HB3 ASP 22 3HB ASP 22 10.985 1.741 2.644 170 H ASP 23 H ASP 23 9.992 4.994 1.633 171 HA ASP 23 HA ASP 23 12.696 5.558 2.625 172 HB2 ASP 23 2HB ASP 23 11.500 6.590 0.058 173 HB3 ASP 23 3HB ASP 23 13.202 6.459 0.492 174 H THR 24 H THR 24 12.626 8.163 1.187 175 HA THR 24 HA THR 24 10.852 9.710 2.941 176 HB THR 24 HB THR 24 13.083 11.312 2.822 177 HG1 THR 24 HG1 THR 24 13.925 8.621 3.261 178 HG21 THR 24 3HG2 THR 24 12.896 11.263 5.069 179 HG22 THR 24 1HG2 THR 24 13.001 9.504 5.141 180 HG23 THR 24 2HG2 THR 24 11.467 10.281 4.748 181 H VAL 25 H VAL 25 10.821 12.069 2.271 182 HA VAL 25 HA VAL 25 10.064 12.265 -0.431 183 HB VAL 25 HB VAL 25 10.692 14.454 1.553 184 HG11 VAL 25 1HG1 VAL 25 9.230 15.827 0.000 185 HG12 VAL 25 2HG1 VAL 25 10.857 15.457 -0.577 186 HG13 VAL 25 3HG1 VAL 25 9.474 14.552 -1.194 187 HG21 VAL 25 3HG2 VAL 25 8.164 13.026 0.775 188 HG22 VAL 25 1HG2 VAL 25 8.875 13.209 2.379 189 HG23 VAL 25 2HG2 VAL 25 8.150 14.599 1.571 190 H LEU 26 H LEU 26 12.971 13.375 1.275 191 HA LEU 26 HA LEU 26 14.196 14.681 -0.875 192 HB2 LEU 26 2HB LEU 26 15.939 14.966 0.517 193 HB3 LEU 26 3HB LEU 26 14.791 14.383 1.721 194 HG LEU 26 HG LEU 26 15.834 12.042 1.054 195 HD11 LEU 26 1HD1 LEU 26 17.935 12.041 0.188 196 HD12 LEU 26 2HD1 LEU 26 18.317 13.645 0.811 197 HD13 LEU 26 3HD1 LEU 26 17.306 13.475 -0.623 198 HD21 LEU 26 3HD2 LEU 26 17.194 12.180 2.987 199 HD22 LEU 26 1HD2 LEU 26 15.812 13.236 3.277 200 HD23 LEU 26 2HD2 LEU 26 17.371 13.928 2.827 201 H ASP 27 H ASP 27 13.929 11.307 -0.091 202 HA ASP 27 HA ASP 27 16.042 10.392 -1.772 203 HB2 ASP 27 2HB ASP 27 14.561 9.226 0.176 204 HB3 ASP 27 3HB ASP 27 13.774 8.567 -1.255 205 H LEU 28 H LEU 28 12.630 11.046 -2.228 206 HA LEU 28 HA LEU 28 12.537 9.842 -4.844 207 HB2 LEU 28 2HB LEU 28 10.625 10.171 -3.111 208 HB3 LEU 28 3HB LEU 28 10.505 11.781 -3.818 209 HG LEU 28 HG LEU 28 10.479 9.588 -5.770 210 HD11 LEU 28 1HD1 LEU 28 8.517 8.568 -5.218 211 HD12 LEU 28 2HD1 LEU 28 7.932 9.944 -4.284 212 HD13 LEU 28 3HD1 LEU 28 9.154 8.872 -3.601 213 HD21 LEU 28 3HD2 LEU 28 9.059 10.986 -6.914 214 HD22 LEU 28 1HD2 LEU 28 9.997 12.152 -5.980 215 HD23 LEU 28 2HD2 LEU 28 8.383 11.685 -5.442 216 H LYS 29 H LYS 29 12.472 13.156 -3.558 217 HA LYS 29 HA LYS 29 12.361 14.477 -6.032 218 HB2 LYS 29 2HB LYS 29 13.044 15.213 -3.246 219 HB3 LYS 29 3HB LYS 29 13.668 16.276 -4.501 220 HG2 LYS 29 2HG LYS 29 11.672 17.285 -4.105 221 HG3 LYS 29 3HG LYS 29 11.176 16.147 -5.360 222 HD2 LYS 29 2HD LYS 29 11.080 15.152 -2.580 223 HD3 LYS 29 3HD LYS 29 9.909 16.403 -3.002 224 HE2 LYS 29 2HE LYS 29 10.024 14.468 -5.103 225 HE3 LYS 29 3HE LYS 29 9.796 13.638 -3.565 226 HZ1 LYS 29 3HZ LYS 29 8.152 15.997 -4.065 227 HZ2 LYS 29 1HZ LYS 29 7.766 14.560 -3.260 228 HZ3 LYS 29 2HZ LYS 29 7.785 14.604 -4.951 229 H GLN 30 H GLN 30 15.181 13.888 -3.927 230 HA GLN 30 HA GLN 30 17.119 14.894 -5.657 231 HB2 GLN 30 2HB GLN 30 18.691 13.998 -4.218 232 HB3 GLN 30 3HB GLN 30 17.277 14.093 -3.176 233 HG2 GLN 30 2HG GLN 30 17.882 11.980 -2.689 234 HG3 GLN 30 3HG GLN 30 16.920 11.630 -4.124 235 HE21 GLN 30 1HE2 GLN 30 18.505 9.706 -3.700 236 HE22 GLN 30 2HE2 GLN 30 19.948 9.747 -4.650 237 H PHE 31 H PHE 31 15.331 11.958 -5.785 238 HA PHE 31 HA PHE 31 17.181 10.531 -7.456 239 HB2 PHE 31 2HB PHE 31 15.678 9.257 -6.062 240 HB3 PHE 31 3HB PHE 31 14.275 10.044 -6.779 241 HD1 PHE 31 HD1 PHE 31 13.560 9.482 -9.047 242 HD2 PHE 31 HD2 PHE 31 16.804 7.464 -7.171 243 HE1 PHE 31 HE1 PHE 31 13.418 7.694 -10.732 244 HE2 PHE 31 HE2 PHE 31 16.668 5.673 -8.853 245 HZ PHE 31 HZ PHE 31 14.974 5.787 -10.637 246 H LEU 32 H LEU 32 13.980 11.998 -8.024 247 HA LEU 32 HA LEU 32 14.073 11.665 -10.837 248 HB2 LEU 32 2HB LEU 32 12.196 13.325 -10.825 249 HB3 LEU 32 3HB LEU 32 11.950 11.895 -9.824 250 HG LEU 32 HG LEU 32 12.926 13.577 -7.971 251 HD11 LEU 32 1HD1 LEU 32 11.309 15.664 -8.725 252 HD12 LEU 32 2HD1 LEU 32 12.133 15.241 -10.225 253 HD13 LEU 32 3HD1 LEU 32 13.072 15.647 -8.789 254 HD21 LEU 32 3HD2 LEU 32 10.876 12.305 -7.770 255 HD22 LEU 32 1HD2 LEU 32 10.064 13.384 -8.905 256 HD23 LEU 32 2HD2 LEU 32 10.582 13.989 -7.331 257 H LYS 33 H LYS 33 14.814 14.389 -8.700 258 HA LYS 33 HA LYS 33 15.252 16.361 -10.601 259 HB2 LYS 33 2HB LYS 33 15.542 17.443 -8.665 260 HB3 LYS 33 3HB LYS 33 15.872 15.942 -7.810 261 HG2 LYS 33 2HG LYS 33 17.994 17.207 -9.489 262 HG3 LYS 33 3HG LYS 33 17.663 17.808 -7.863 263 HD2 LYS 33 2HD LYS 33 18.498 15.949 -6.862 264 HD3 LYS 33 3HD LYS 33 17.958 14.879 -8.157 265 HE2 LYS 33 2HE LYS 33 20.079 14.813 -8.834 266 HE3 LYS 33 3HE LYS 33 19.875 16.484 -9.355 267 HZ1 LYS 33 3HZ LYS 33 21.773 16.407 -7.971 268 HZ2 LYS 33 1HZ LYS 33 20.969 15.520 -6.775 269 HZ3 LYS 33 2HZ LYS 33 20.552 17.135 -7.054 270 H THR 34 H THR 34 17.206 13.623 -9.745 271 HA THR 34 HA THR 34 19.601 14.598 -11.010 272 HB THR 34 HB THR 34 19.148 12.648 -9.158 273 HG1 THR 34 HG1 THR 34 21.367 12.861 -10.939 274 HG21 THR 34 3HG2 THR 34 19.934 11.152 -11.648 275 HG22 THR 34 1HG2 THR 34 18.268 11.213 -11.073 276 HG23 THR 34 2HG2 THR 34 19.525 10.500 -10.061 277 H LEU 35 H LEU 35 16.767 12.889 -11.990 278 HA LEU 35 HA LEU 35 17.901 11.707 -14.343 279 HB2 LEU 35 2HB LEU 35 14.982 12.242 -13.918 280 HB3 LEU 35 3HB LEU 35 15.742 10.945 -14.838 281 HG LEU 35 HG LEU 35 15.722 11.189 -11.830 282 HD11 LEU 35 1HD1 LEU 35 13.972 9.743 -11.751 283 HD12 LEU 35 2HD1 LEU 35 14.389 8.976 -13.283 284 HD13 LEU 35 3HD1 LEU 35 13.588 10.547 -13.273 285 HD21 LEU 35 3HD2 LEU 35 16.685 8.930 -13.579 286 HD22 LEU 35 1HD2 LEU 35 16.723 8.999 -11.817 287 HD23 LEU 35 2HD2 LEU 35 17.735 10.091 -12.764 288 H THR 36 H THR 36 15.506 14.313 -13.884 289 HA THR 36 HA THR 36 16.620 15.647 -16.253 290 HB THR 36 HB THR 36 14.649 14.554 -17.085 291 HG1 THR 36 HG1 THR 36 13.687 16.345 -17.911 292 HG21 THR 36 3HG2 THR 36 13.600 14.275 -14.802 293 HG22 THR 36 1HG2 THR 36 12.490 14.711 -16.101 294 HG23 THR 36 2HG2 THR 36 13.029 15.936 -14.952 295 H GLY 37 H GLY 37 15.009 15.828 -13.171 296 HA2 GLY 37 2HA GLY 37 14.447 18.595 -13.138 297 HA3 GLY 37 3HA GLY 37 14.638 17.571 -11.723 298 H VAL 38 H VAL 38 15.529 19.853 -11.130 299 HA VAL 38 HA VAL 38 18.413 19.913 -11.735 300 HB VAL 38 HB VAL 38 17.580 21.962 -12.486 301 HG11 VAL 38 1HG1 VAL 38 16.167 23.275 -10.564 302 HG12 VAL 38 2HG1 VAL 38 15.452 22.368 -11.898 303 HG13 VAL 38 3HG1 VAL 38 15.641 21.610 -10.317 304 HG21 VAL 38 3HG2 VAL 38 19.515 22.183 -10.962 305 HG22 VAL 38 1HG2 VAL 38 18.498 23.624 -10.991 306 HG23 VAL 38 2HG2 VAL 38 18.401 22.502 -9.633 307 H LEU 39 H LEU 39 19.868 19.894 -10.093 308 HA LEU 39 HA LEU 39 19.236 18.768 -7.646 309 HB2 LEU 39 2HB LEU 39 21.494 19.878 -6.947 310 HB3 LEU 39 3HB LEU 39 21.459 18.585 -8.144 311 HG LEU 39 HG LEU 39 22.963 20.607 -8.594 312 HD11 LEU 39 1HD1 LEU 39 22.982 19.760 -10.641 313 HD12 LEU 39 2HD1 LEU 39 21.428 20.508 -11.005 314 HD13 LEU 39 3HD1 LEU 39 21.484 18.904 -10.274 315 HD21 LEU 39 3HD2 LEU 39 21.840 22.493 -9.706 316 HD22 LEU 39 1HD2 LEU 39 21.387 22.353 -8.007 317 HD23 LEU 39 2HD2 LEU 39 20.276 21.806 -9.264 318 HA PRO 40 HA PRO 40 17.584 21.985 -5.149 319 HB2 PRO 40 2HB PRO 40 18.400 21.161 -2.694 320 HB3 PRO 40 3HB PRO 40 17.112 20.356 -3.599 321 HG2 PRO 40 2HG PRO 40 19.995 19.597 -3.325 322 HG3 PRO 40 3HG PRO 40 18.555 18.563 -3.265 323 HD2 PRO 40 2HD PRO 40 20.108 18.772 -5.474 324 HD3 PRO 40 3HD PRO 40 18.357 18.491 -5.560 325 H GLU 41 H GLU 41 20.990 21.282 -5.109 326 HA GLU 41 HA GLU 41 21.962 23.209 -3.373 327 HB2 GLU 41 2HB GLU 41 23.439 21.566 -4.323 328 HB3 GLU 41 3HB GLU 41 23.131 22.156 -5.950 329 HG2 GLU 41 2HG GLU 41 24.283 24.209 -5.485 330 HG3 GLU 41 3HG GLU 41 24.472 23.763 -3.790 331 H ARG 42 H ARG 42 20.929 23.529 -6.727 332 HA ARG 42 HA ARG 42 21.460 26.416 -6.601 333 HB2 ARG 42 2HB ARG 42 21.328 24.429 -8.808 334 HB3 ARG 42 3HB ARG 42 20.779 26.061 -9.164 335 HG2 ARG 42 2HG ARG 42 22.866 26.752 -9.390 336 HG3 ARG 42 3HG ARG 42 23.261 26.195 -7.762 337 HD2 ARG 42 2HD ARG 42 23.814 24.016 -8.565 338 HD3 ARG 42 3HD ARG 42 23.185 24.388 -10.170 339 HE ARG 42 HE ARG 42 25.785 24.972 -9.184 340 HH11 ARG 42 1HH1 ARG 42 23.270 26.179 -11.266 341 HH12 ARG 42 2HH1 ARG 42 24.357 27.069 -12.281 342 HH21 ARG 42 1HH2 ARG 42 27.226 26.139 -10.513 343 HH22 ARG 42 2HH2 ARG 42 26.607 27.044 -11.852 344 H GLN 43 H GLN 43 18.946 24.035 -7.297 345 HA GLN 43 HA GLN 43 16.950 26.162 -7.497 346 HB2 GLN 43 2HB GLN 43 15.582 24.673 -8.599 347 HB3 GLN 43 3HB GLN 43 17.166 24.066 -9.063 348 HG2 GLN 43 2HG GLN 43 15.967 22.160 -8.494 349 HG3 GLN 43 3HG GLN 43 16.952 22.489 -7.069 350 HE21 GLN 43 1HE2 GLN 43 13.918 23.914 -8.214 351 HE22 GLN 43 2HE2 GLN 43 13.006 23.542 -6.795 352 H LYS 44 H LYS 44 14.945 25.993 -6.290 353 HA LYS 44 HA LYS 44 15.229 24.550 -3.740 354 HB2 LYS 44 2HB LYS 44 14.589 26.405 -2.478 355 HB3 LYS 44 3HB LYS 44 15.672 27.096 -3.679 356 HG2 LYS 44 2HG LYS 44 12.667 27.101 -3.865 357 HG3 LYS 44 3HG LYS 44 13.654 28.452 -3.303 358 HD2 LYS 44 2HD LYS 44 14.866 28.223 -5.566 359 HD3 LYS 44 3HD LYS 44 13.461 27.272 -6.054 360 HE2 LYS 44 2HE LYS 44 12.062 29.072 -6.029 361 HE3 LYS 44 3HE LYS 44 12.962 29.891 -4.752 362 HZ1 LYS 44 3HZ LYS 44 13.823 31.148 -6.346 363 HZ2 LYS 44 1HZ LYS 44 13.180 30.178 -7.575 364 HZ3 LYS 44 2HZ LYS 44 14.678 29.794 -6.891 365 H LEU 45 H LEU 45 13.398 23.621 -2.920 366 HA LEU 45 HA LEU 45 11.286 23.053 -4.714 367 HB2 LEU 45 2HB LEU 45 11.693 22.552 -1.782 368 HB3 LEU 45 3HB LEU 45 10.209 22.081 -2.608 369 HG LEU 45 HG LEU 45 11.612 20.159 -2.437 370 HD11 LEU 45 1HD1 LEU 45 11.890 21.171 -5.258 371 HD12 LEU 45 2HD1 LEU 45 10.379 20.570 -4.577 372 HD13 LEU 45 3HD1 LEU 45 11.771 19.497 -4.716 373 HD21 LEU 45 3HD2 LEU 45 13.735 21.411 -2.116 374 HD22 LEU 45 1HD2 LEU 45 13.770 21.717 -3.853 375 HD23 LEU 45 2HD2 LEU 45 13.870 20.064 -3.247 376 H LEU 46 H LEU 46 9.292 23.909 -4.948 377 HA LEU 46 HA LEU 46 8.789 26.502 -3.845 378 HB2 LEU 46 2HB LEU 46 7.281 24.663 -5.667 379 HB3 LEU 46 3HB LEU 46 6.535 26.132 -5.042 380 HG LEU 46 HG LEU 46 7.365 26.548 -7.256 381 HD11 LEU 46 1HD1 LEU 46 7.855 28.123 -5.128 382 HD12 LEU 46 2HD1 LEU 46 8.239 28.570 -6.790 383 HD13 LEU 46 3HD1 LEU 46 9.494 27.908 -5.742 384 HD21 LEU 46 3HD2 LEU 46 9.326 25.827 -8.080 385 HD22 LEU 46 1HD2 LEU 46 9.287 24.711 -6.714 386 HD23 LEU 46 2HD2 LEU 46 10.208 26.211 -6.600 387 H GLY 47 H GLY 47 6.648 23.648 -3.855 388 HA2 GLY 47 2HA GLY 47 5.582 24.543 -1.270 389 HA3 GLY 47 3HA GLY 47 4.798 23.420 -2.371 390 H LEU 48 H LEU 48 7.886 23.637 -0.594 391 HA LEU 48 HA LEU 48 8.329 20.891 -0.396 392 HB2 LEU 48 2HB LEU 48 9.854 21.432 1.432 393 HB3 LEU 48 3HB LEU 48 10.056 22.524 0.063 394 HG LEU 48 HG LEU 48 8.446 24.057 1.481 395 HD11 LEU 48 1HD1 LEU 48 9.641 22.181 3.503 396 HD12 LEU 48 2HD1 LEU 48 7.947 22.616 3.281 397 HD13 LEU 48 3HD1 LEU 48 9.086 23.804 3.913 398 HD21 LEU 48 3HD2 LEU 48 10.741 24.653 2.778 399 HD22 LEU 48 1HD2 LEU 48 10.398 25.112 1.110 400 HD23 LEU 48 2HD2 LEU 48 11.363 23.675 1.448 401 H LYS 49 H LYS 49 6.075 22.881 1.236 402 HA LYS 49 HA LYS 49 5.570 20.772 3.227 403 HB2 LYS 49 2HB LYS 49 4.065 22.882 4.070 404 HB3 LYS 49 3HB LYS 49 5.695 22.531 4.631 405 HG2 LYS 49 2HG LYS 49 6.635 24.104 3.099 406 HG3 LYS 49 3HG LYS 49 5.074 24.343 2.310 407 HD2 LYS 49 2HD LYS 49 4.566 25.951 3.758 408 HD3 LYS 49 3HD LYS 49 4.773 24.828 5.105 409 HE2 LYS 49 2HE LYS 49 7.050 25.384 5.350 410 HE3 LYS 49 3HE LYS 49 7.103 26.190 3.783 411 HZ1 LYS 49 3HZ LYS 49 6.547 28.087 4.748 412 HZ2 LYS 49 1HZ LYS 49 6.600 27.334 6.262 413 HZ3 LYS 49 2HZ LYS 49 5.144 27.405 5.404 414 H VAL 50 H VAL 50 3.512 19.938 3.484 415 HA VAL 50 HA VAL 50 1.390 20.890 1.715 416 HB VAL 50 HB VAL 50 2.618 19.089 0.493 417 HG11 VAL 50 1HG1 VAL 50 3.009 17.046 1.344 418 HG12 VAL 50 2HG1 VAL 50 2.782 17.846 2.900 419 HG13 VAL 50 3HG1 VAL 50 1.445 16.971 2.153 420 HG21 VAL 50 3HG2 VAL 50 0.678 18.682 -0.515 421 HG22 VAL 50 1HG2 VAL 50 0.121 17.709 0.846 422 HG23 VAL 50 2HG2 VAL 50 -0.137 19.454 0.845 423 H LYS 51 H LYS 51 -0.683 20.441 2.431 424 HA LYS 51 HA LYS 51 -2.313 20.134 3.991 425 HB2 LYS 51 2HB LYS 51 -0.623 17.724 4.686 426 HB3 LYS 51 3HB LYS 51 -2.292 17.974 5.182 427 HG2 LYS 51 2HG LYS 51 -2.454 18.269 2.473 428 HG3 LYS 51 3HG LYS 51 -1.207 17.032 2.642 429 HD2 LYS 51 2HD LYS 51 -2.651 15.582 3.797 430 HD3 LYS 51 3HD LYS 51 -3.814 16.868 4.129 431 HE2 LYS 51 2HE LYS 51 -3.452 16.646 1.307 432 HE3 LYS 51 3HE LYS 51 -3.778 15.044 1.967 433 HZ1 LYS 51 3HZ LYS 51 -5.591 16.571 3.240 434 HZ2 LYS 51 1HZ LYS 51 -5.902 15.680 1.836 435 HZ3 LYS 51 2HZ LYS 51 -5.525 17.325 1.727 436 H GLY 52 H GLY 52 -0.054 21.808 4.716 437 HA2 GLY 52 2HA GLY 52 0.361 23.089 6.610 438 HA3 GLY 52 3HA GLY 52 -0.575 21.943 7.557 439 H LYS 53 H LYS 53 1.324 19.904 6.056 440 HA LYS 53 HA LYS 53 3.164 19.708 8.269 441 HB2 LYS 53 2HB LYS 53 2.739 18.025 5.800 442 HB3 LYS 53 3HB LYS 53 3.973 17.672 7.002 443 HG2 LYS 53 2HG LYS 53 1.017 17.823 7.556 444 HG3 LYS 53 3HG LYS 53 1.931 16.335 7.300 445 HD2 LYS 53 2HD LYS 53 3.364 17.697 9.250 446 HD3 LYS 53 3HD LYS 53 1.674 17.967 9.682 447 HE2 LYS 53 2HE LYS 53 1.271 15.557 9.601 448 HE3 LYS 53 3HE LYS 53 2.955 15.285 9.156 449 HZ1 LYS 53 3HZ LYS 53 2.234 15.057 11.611 450 HZ2 LYS 53 1HZ LYS 53 2.313 16.747 11.629 451 HZ3 LYS 53 2HZ LYS 53 3.689 15.840 11.250 452 HA PRO 54 HA PRO 54 6.630 21.731 6.483 453 HB2 PRO 54 2HB PRO 54 8.662 20.327 7.609 454 HB3 PRO 54 3HB PRO 54 7.667 21.471 8.517 455 HG2 PRO 54 2HG PRO 54 7.475 18.486 8.380 456 HG3 PRO 54 3HG PRO 54 7.344 19.552 9.791 457 HD2 PRO 54 2HD PRO 54 5.177 18.504 8.550 458 HD3 PRO 54 3HD PRO 54 5.152 20.097 9.332 459 H ALA 55 H ALA 55 6.506 18.209 6.279 460 HA ALA 55 HA ALA 55 7.550 16.739 4.837 461 HB1 ALA 55 1HB ALA 55 5.629 17.144 3.577 462 HB2 ALA 55 2HB ALA 55 6.150 18.769 3.132 463 HB3 ALA 55 3HB ALA 55 6.946 17.363 2.424 464 H GLU 56 H GLU 56 9.490 18.430 5.845 465 HA GLU 56 HA GLU 56 11.015 19.821 3.959 466 HB2 GLU 56 2HB GLU 56 11.324 19.953 6.421 467 HB3 GLU 56 3HB GLU 56 12.025 18.341 6.393 468 HG2 GLU 56 2HG GLU 56 14.003 19.272 6.080 469 HG3 GLU 56 3HG GLU 56 13.453 19.799 4.491 470 H ASN 57 H ASN 57 12.131 16.775 5.404 471 HA ASN 57 HA ASN 57 12.496 15.516 2.845 472 HB2 ASN 57 2HB ASN 57 15.060 15.240 3.508 473 HB3 ASN 57 3HB ASN 57 14.496 16.594 2.533 474 HD21 ASN 57 1HD2 ASN 57 14.966 15.662 5.920 475 HD22 ASN 57 2HD2 ASN 57 15.524 17.210 6.447 476 H ASP 58 H ASP 58 13.139 15.552 6.305 477 HA ASP 58 HA ASP 58 13.773 12.803 6.557 478 HB2 ASP 58 2HB ASP 58 13.215 15.055 8.366 479 HB3 ASP 58 3HB ASP 58 12.764 13.479 9.009 480 H VAL 59 H VAL 59 10.911 14.292 5.740 481 HA VAL 59 HA VAL 59 9.104 12.508 7.106 482 HB VAL 59 HB VAL 59 8.468 14.294 4.759 483 HG11 VAL 59 1HG1 VAL 59 6.780 13.095 6.951 484 HG12 VAL 59 2HG1 VAL 59 6.206 14.283 5.779 485 HG13 VAL 59 3HG1 VAL 59 6.738 12.691 5.235 486 HG21 VAL 59 3HG2 VAL 59 7.594 15.644 6.960 487 HG22 VAL 59 1HG2 VAL 59 9.115 14.961 7.537 488 HG23 VAL 59 2HG2 VAL 59 9.096 15.983 6.099 489 H LYS 60 H LYS 60 7.920 10.829 6.214 490 HA LYS 60 HA LYS 60 9.166 9.547 3.916 491 HB2 LYS 60 2HB LYS 60 7.077 8.580 5.876 492 HB3 LYS 60 3HB LYS 60 7.716 7.612 4.553 493 HG2 LYS 60 2HG LYS 60 10.018 8.097 5.611 494 HG3 LYS 60 3HG LYS 60 9.087 8.541 7.043 495 HD2 LYS 60 2HD LYS 60 7.923 6.266 6.730 496 HD3 LYS 60 3HD LYS 60 9.279 5.880 5.669 497 HE2 LYS 60 2HE LYS 60 10.756 6.638 7.635 498 HE3 LYS 60 3HE LYS 60 9.296 6.478 8.609 499 HZ1 LYS 60 3HZ LYS 60 11.004 4.487 8.179 500 HZ2 LYS 60 1HZ LYS 60 9.927 4.217 6.902 501 HZ3 LYS 60 2HZ LYS 60 9.359 4.247 8.495 502 H LEU 61 H LEU 61 7.986 8.785 2.109 503 HA LEU 61 HA LEU 61 6.275 10.565 0.902 504 HB2 LEU 61 2HB LEU 61 6.146 7.608 0.388 505 HB3 LEU 61 3HB LEU 61 5.865 8.926 -0.748 506 HG LEU 61 HG LEU 61 8.519 8.075 0.407 507 HD11 LEU 61 1HD1 LEU 61 7.367 6.723 -1.453 508 HD12 LEU 61 2HD1 LEU 61 9.039 7.228 -1.695 509 HD13 LEU 61 3HD1 LEU 61 7.729 8.108 -2.483 510 HD21 LEU 61 3HD2 LEU 61 9.290 9.775 -1.410 511 HD22 LEU 61 1HD2 LEU 61 8.807 10.352 0.186 512 HD23 LEU 61 2HD2 LEU 61 7.686 10.471 -1.171 513 H GLY 62 H GLY 62 5.401 7.616 2.691 514 HA2 GLY 62 2HA GLY 62 2.580 8.085 2.392 515 HA3 GLY 62 3HA GLY 62 3.334 6.853 3.393 516 H ALA 63 H ALA 63 4.949 9.354 4.442 517 HA ALA 63 HA ALA 63 3.280 9.706 6.760 518 HB1 ALA 63 1HB ALA 63 5.708 9.505 6.974 519 HB2 ALA 63 2HB ALA 63 5.913 11.000 6.061 520 HB3 ALA 63 3HB ALA 63 5.126 11.032 7.638 521 H LEU 64 H LEU 64 4.128 11.563 3.917 522 HA LEU 64 HA LEU 64 3.021 14.027 4.893 523 HB2 LEU 64 2HB LEU 64 3.365 13.538 1.986 524 HB3 LEU 64 3HB LEU 64 3.737 14.971 2.942 525 HG LEU 64 HG LEU 64 5.472 12.785 3.668 526 HD11 LEU 64 1HD1 LEU 64 6.559 12.297 1.682 527 HD12 LEU 64 2HD1 LEU 64 5.848 13.670 0.835 528 HD13 LEU 64 3HD1 LEU 64 4.858 12.261 1.214 529 HD21 LEU 64 3HD2 LEU 64 6.105 15.412 2.336 530 HD22 LEU 64 1HD2 LEU 64 7.172 14.424 3.335 531 HD23 LEU 64 2HD2 LEU 64 5.785 15.236 4.062 532 H LYS 65 H LYS 65 1.819 11.221 3.293 533 HA LYS 65 HA LYS 65 -0.268 10.591 2.644 534 HB2 LYS 65 2HB LYS 65 -1.253 13.083 4.037 535 HB3 LYS 65 3HB LYS 65 -2.173 11.626 3.682 536 HG2 LYS 65 2HG LYS 65 0.192 11.723 5.542 537 HG3 LYS 65 3HG LYS 65 -1.492 11.848 6.057 538 HD2 LYS 65 2HD LYS 65 -1.952 9.641 5.131 539 HD3 LYS 65 3HD LYS 65 -0.285 9.518 4.564 540 HE2 LYS 65 2HE LYS 65 0.556 9.437 6.776 541 HE3 LYS 65 3HE LYS 65 -0.993 9.929 7.459 542 HZ1 LYS 65 3HZ LYS 65 -0.558 7.546 7.723 543 HZ2 LYS 65 1HZ LYS 65 -0.504 7.365 6.042 544 HZ3 LYS 65 2HZ LYS 65 -1.943 7.834 6.796 545 H LEU 66 H LEU 66 1.303 12.154 0.872 546 HA LEU 66 HA LEU 66 -0.520 14.015 -0.416 547 HB2 LEU 66 2HB LEU 66 2.342 13.385 -0.559 548 HB3 LEU 66 3HB LEU 66 1.600 13.787 -2.107 549 HG LEU 66 HG LEU 66 1.487 15.552 0.337 550 HD11 LEU 66 1HD1 LEU 66 3.209 16.882 -0.666 551 HD12 LEU 66 2HD1 LEU 66 3.256 15.836 -2.085 552 HD13 LEU 66 3HD1 LEU 66 3.795 15.225 -0.522 553 HD21 LEU 66 3HD2 LEU 66 0.374 15.673 -2.394 554 HD22 LEU 66 1HD2 LEU 66 1.090 17.161 -1.775 555 HD23 LEU 66 2HD2 LEU 66 -0.220 16.378 -0.890 556 H LYS 67 H LYS 67 -1.204 13.808 -2.597 557 HA LYS 67 HA LYS 67 -2.067 11.195 -3.290 558 HB2 LYS 67 2HB LYS 67 -2.357 13.919 -4.385 559 HB3 LYS 67 3HB LYS 67 -2.468 12.623 -5.569 560 HG2 LYS 67 2HG LYS 67 -4.663 12.890 -4.942 561 HG3 LYS 67 3HG LYS 67 -4.142 11.577 -3.883 562 HD2 LYS 67 2HD LYS 67 -3.835 13.113 -2.052 563 HD3 LYS 67 3HD LYS 67 -4.179 14.491 -3.101 564 HE2 LYS 67 2HE LYS 67 -6.422 14.103 -3.102 565 HE3 LYS 67 3HE LYS 67 -6.231 12.358 -2.941 566 HZ1 LYS 67 3HZ LYS 67 -6.609 14.335 -0.913 567 HZ2 LYS 67 1HZ LYS 67 -5.263 13.360 -0.596 568 HZ3 LYS 67 2HZ LYS 67 -6.784 12.655 -0.823 569 HA PRO 68 HA PRO 68 1.142 9.655 -5.856 570 HB2 PRO 68 2HB PRO 68 -0.239 8.456 -7.862 571 HB3 PRO 68 3HB PRO 68 -0.168 7.803 -6.221 572 HG2 PRO 68 2HG PRO 68 -2.323 9.421 -7.523 573 HG3 PRO 68 3HG PRO 68 -2.471 7.994 -6.481 574 HD2 PRO 68 2HD PRO 68 -2.856 10.513 -5.565 575 HD3 PRO 68 3HD PRO 68 -2.186 9.220 -4.550 576 H ASN 69 H ASN 69 -1.380 11.476 -7.545 577 HA ASN 69 HA ASN 69 0.269 11.992 -9.843 578 HB2 ASN 69 2HB ASN 69 -1.589 13.498 -10.525 579 HB3 ASN 69 3HB ASN 69 -2.137 11.872 -10.128 580 HD21 ASN 69 1HD2 ASN 69 -3.410 11.543 -8.338 581 HD22 ASN 69 2HD2 ASN 69 -4.137 12.838 -7.455 582 H THR 70 H THR 70 -0.045 13.340 -6.745 583 HA THR 70 HA THR 70 0.223 15.979 -6.792 584 HB THR 70 HB THR 70 2.084 14.096 -5.336 585 HG1 THR 70 HG1 THR 70 0.525 14.036 -3.883 586 HG21 THR 70 3HG2 THR 70 1.802 17.074 -5.228 587 HG22 THR 70 1HG2 THR 70 3.264 16.089 -5.206 588 HG23 THR 70 2HG2 THR 70 2.237 16.175 -3.775 589 H LYS 71 H LYS 71 1.256 17.401 -8.014 590 HA LYS 71 HA LYS 71 3.636 16.594 -9.487 591 HB2 LYS 71 2HB LYS 71 2.238 19.260 -9.647 592 HB3 LYS 71 3HB LYS 71 3.289 18.514 -10.844 593 HG2 LYS 71 2HG LYS 71 1.424 17.863 -11.859 594 HG3 LYS 71 3HG LYS 71 1.264 16.674 -10.565 595 HD2 LYS 71 2HD LYS 71 -0.085 18.251 -9.276 596 HD3 LYS 71 3HD LYS 71 0.091 19.456 -10.555 597 HE2 LYS 71 2HE LYS 71 -0.914 17.605 -12.075 598 HE3 LYS 71 3HE LYS 71 -1.465 16.898 -10.556 599 HZ1 LYS 71 3HZ LYS 71 -2.851 18.704 -11.936 600 HZ2 LYS 71 1HZ LYS 71 -2.004 19.728 -10.889 601 HZ3 LYS 71 2HZ LYS 71 -2.988 18.504 -10.262 602 H ILE 72 H ILE 72 5.617 17.657 -9.377 603 HA ILE 72 HA ILE 72 5.994 19.322 -6.974 604 HB ILE 72 HB ILE 72 8.028 17.521 -8.295 605 HG12 ILE 72 2HG1 ILE 72 6.307 16.200 -7.196 606 HG13 ILE 72 3HG1 ILE 72 7.790 16.141 -6.249 607 HG21 ILE 72 1HG2 ILE 72 8.973 18.057 -5.813 608 HG22 ILE 72 2HG2 ILE 72 9.435 18.940 -7.267 609 HG23 ILE 72 3HG2 ILE 72 8.179 19.582 -6.209 610 HD11 ILE 72 3HD1 ILE 72 5.794 16.379 -4.856 611 HD12 ILE 72 1HD1 ILE 72 6.888 17.752 -4.689 612 HD13 ILE 72 2HD1 ILE 72 5.424 17.904 -5.661 613 H MET 73 H MET 73 6.797 21.308 -7.231 614 HA MET 73 HA MET 73 7.678 22.096 -9.916 615 HB2 MET 73 2HB MET 73 6.691 23.722 -7.570 616 HB3 MET 73 3HB MET 73 7.316 24.431 -9.053 617 HG2 MET 73 2HG MET 73 5.524 23.625 -10.327 618 HG3 MET 73 3HG MET 73 5.031 22.494 -9.069 619 HE1 MET 73 3HE MET 73 4.118 24.434 -6.250 620 HE2 MET 73 1HE MET 73 2.660 23.884 -7.075 621 HE3 MET 73 2HE MET 73 4.111 22.883 -7.090 622 H MET 74 H MET 74 9.639 23.062 -10.289 623 HA MET 74 HA MET 74 11.461 23.328 -7.995 624 HB2 MET 74 2HB MET 74 12.199 22.140 -10.676 625 HB3 MET 74 3HB MET 74 13.275 22.355 -9.301 626 HG2 MET 74 2HG MET 74 12.403 20.590 -8.159 627 HG3 MET 74 3HG MET 74 10.813 20.753 -8.901 628 HE1 MET 74 3HE MET 74 13.515 17.483 -9.750 629 HE2 MET 74 1HE MET 74 13.851 18.770 -8.592 630 HE3 MET 74 2HE MET 74 12.342 17.863 -8.487 631 H MET 75 H MET 75 12.546 25.196 -7.928 632 HA MET 75 HA MET 75 12.629 26.836 -10.375 633 HB2 MET 75 2HB MET 75 12.186 27.719 -7.521 634 HB3 MET 75 3HB MET 75 12.522 28.826 -8.846 635 HG2 MET 75 2HG MET 75 10.322 26.993 -9.390 636 HG3 MET 75 3HG MET 75 10.045 28.042 -8.002 637 HE1 MET 75 3HE MET 75 8.285 28.156 -10.914 638 HE2 MET 75 1HE MET 75 9.156 29.048 -12.162 639 HE3 MET 75 2HE MET 75 9.790 27.512 -11.571 640 H GLY 76 H GLY 76 14.594 27.439 -11.024 641 HA2 GLY 76 2HA GLY 76 16.689 28.475 -9.715 642 HA3 GLY 76 3HA GLY 76 16.885 26.763 -9.370 643 H THR 77 H THR 77 18.846 26.664 -10.490 644 HA THR 77 HA THR 77 18.536 26.644 -13.415 645 HB THR 77 HB THR 77 19.758 28.643 -13.057 646 HG1 THR 77 HG1 THR 77 20.696 27.299 -14.652 647 HG21 THR 77 3HG2 THR 77 20.805 28.968 -11.116 648 HG22 THR 77 1HG2 THR 77 22.100 27.919 -11.690 649 HG23 THR 77 2HG2 THR 77 20.767 27.243 -10.755 650 H ARG 78 H ARG 78 19.085 24.758 -14.282 651 HA ARG 78 HA ARG 78 20.360 22.740 -12.649 652 HB2 ARG 78 2HB ARG 78 19.837 21.210 -14.448 653 HB3 ARG 78 3HB ARG 78 18.427 22.203 -14.103 654 HG2 ARG 78 2HG ARG 78 20.079 23.398 -16.148 655 HG3 ARG 78 3HG ARG 78 19.591 21.758 -16.579 656 HD2 ARG 78 2HD ARG 78 17.288 22.871 -15.541 657 HD3 ARG 78 3HD ARG 78 18.018 24.200 -16.439 658 HE ARG 78 HE ARG 78 17.904 21.710 -17.885 659 HH11 ARG 78 1HH1 ARG 78 16.243 24.665 -17.094 660 HH12 ARG 78 2HH1 ARG 78 15.232 24.627 -18.500 661 HH21 ARG 78 1HH2 ARG 78 16.579 21.648 -19.741 662 HH22 ARG 78 2HH2 ARG 78 15.423 22.910 -20.005 663 H GLU 79 H GLU 79 22.290 21.665 -13.139 664 HA GLU 79 HA GLU 79 24.344 23.309 -14.212 665 HB2 GLU 79 2HB GLU 79 25.847 21.569 -13.621 666 HB3 GLU 79 3HB GLU 79 24.604 21.588 -12.378 667 HG2 GLU 79 2HG GLU 79 23.485 19.707 -13.500 668 HG3 GLU 79 3HG GLU 79 24.788 19.667 -14.687 669 H GLU 80 H GLU 80 26.007 21.790 -15.671 670 HA GLU 80 HA GLU 80 24.525 21.476 -18.177 671 HB2 GLU 80 2HB GLU 80 26.470 23.012 -18.129 672 HB3 GLU 80 3HB GLU 80 27.507 21.653 -17.718 673 HG2 GLU 80 2HG GLU 80 27.619 20.948 -19.830 674 HG3 GLU 80 3HG GLU 80 25.898 21.206 -20.107 675 H SER 81 H SER 81 27.235 19.850 -16.518 676 HA SER 81 HA SER 81 26.111 17.274 -17.369 677 HB2 SER 81 2HB SER 81 27.849 17.693 -18.975 678 HB3 SER 81 3HB SER 81 28.977 18.176 -17.709 679 HG SER 81 HG SER 81 29.539 16.159 -17.692 680 HN1 NH2 90 H1 NH2 90 28.269 17.847 -13.944 Start of MODEL 14 1 H1 MET 1 H MET 1 2.956 -1.113 0.988 2 HA MET 1 HA MET 1 3.042 -0.953 -1.280 3 HB2 MET 1 2HB MET 1 0.791 1.045 -1.027 4 HB3 MET 1 3HB MET 1 1.254 0.157 -2.472 5 HG2 MET 1 2HG MET 1 0.715 -1.670 -0.333 6 HG3 MET 1 3HG MET 1 -0.639 -0.563 -0.542 7 HE1 MET 1 3HE MET 1 -1.407 -3.512 -1.018 8 HE2 MET 1 1HE MET 1 -2.411 -2.091 -1.308 9 HE3 MET 1 2HE MET 1 -2.262 -3.334 -2.551 10 H ALA 2 H ALA 2 3.087 0.929 -3.095 11 HA ALA 2 HA ALA 2 5.024 2.875 -2.056 12 HB1 ALA 2 1HB ALA 2 5.075 3.000 -4.835 13 HB2 ALA 2 2HB ALA 2 6.228 2.171 -3.788 14 HB3 ALA 2 3HB ALA 2 4.858 1.289 -4.464 15 H LEU 3 H LEU 3 4.935 5.069 -2.693 16 HA LEU 3 HA LEU 3 2.249 5.956 -3.518 17 HB2 LEU 3 2HB LEU 3 3.946 6.709 -1.313 18 HB3 LEU 3 3HB LEU 3 3.570 8.108 -2.317 19 HG LEU 3 HG LEU 3 1.573 6.288 -0.974 20 HD11 LEU 3 1HD1 LEU 3 1.640 7.661 0.766 21 HD12 LEU 3 2HD1 LEU 3 1.445 9.071 -0.273 22 HD13 LEU 3 3HD1 LEU 3 3.056 8.428 0.047 23 HD21 LEU 3 3HD2 LEU 3 0.090 8.333 -1.730 24 HD22 LEU 3 1HD2 LEU 3 0.384 6.965 -2.804 25 HD23 LEU 3 2HD2 LEU 3 1.311 8.453 -2.997 26 HA PRO 4 HA PRO 4 4.621 7.373 -7.072 27 HB2 PRO 4 2HB PRO 4 2.437 7.968 -8.572 28 HB3 PRO 4 3HB PRO 4 3.055 6.322 -8.385 29 HG2 PRO 4 2HG PRO 4 0.781 7.663 -6.975 30 HG3 PRO 4 3HG PRO 4 0.873 6.022 -7.642 31 HD2 PRO 4 2HD PRO 4 1.183 6.541 -5.002 32 HD3 PRO 4 3HD PRO 4 2.027 5.211 -5.820 33 H ILE 5 H ILE 5 4.942 9.400 -8.080 34 HA ILE 5 HA ILE 5 3.384 11.680 -7.179 35 HB ILE 5 HB ILE 5 6.353 11.537 -6.639 36 HG12 ILE 5 2HG1 ILE 5 3.959 11.464 -4.797 37 HG13 ILE 5 3HG1 ILE 5 5.198 10.228 -4.990 38 HG21 ILE 5 1HG2 ILE 5 6.122 13.735 -5.679 39 HG22 ILE 5 2HG2 ILE 5 5.519 13.760 -7.335 40 HG23 ILE 5 3HG2 ILE 5 4.385 13.725 -5.985 41 HD11 ILE 5 3HD1 ILE 5 6.646 12.445 -4.268 42 HD12 ILE 5 1HD1 ILE 5 5.169 12.598 -3.316 43 HD13 ILE 5 2HD1 ILE 5 6.147 11.134 -3.199 44 H ILE 6 H ILE 6 3.378 13.334 -8.623 45 HA ILE 6 HA ILE 6 4.814 12.877 -11.127 46 HB ILE 6 HB ILE 6 2.449 14.571 -10.387 47 HG12 ILE 6 2HG1 ILE 6 2.508 12.918 -12.833 48 HG13 ILE 6 3HG1 ILE 6 2.637 12.023 -11.322 49 HG21 ILE 6 1HG2 ILE 6 4.179 14.810 -12.835 50 HG22 ILE 6 2HG2 ILE 6 2.507 15.366 -12.787 51 HG23 ILE 6 3HG2 ILE 6 3.703 16.078 -11.705 52 HD11 ILE 6 3HD1 ILE 6 0.561 13.940 -11.052 53 HD12 ILE 6 1HD1 ILE 6 0.325 13.057 -12.561 54 HD13 ILE 6 2HD1 ILE 6 0.455 12.179 -11.037 55 H VAL 7 H VAL 7 6.259 14.296 -12.006 56 HA VAL 7 HA VAL 7 6.948 16.671 -10.405 57 HB VAL 7 HB VAL 7 8.631 14.937 -10.025 58 HG11 VAL 7 1HG1 VAL 7 9.821 14.971 -12.667 59 HG12 VAL 7 2HG1 VAL 7 9.430 13.604 -11.623 60 HG13 VAL 7 3HG1 VAL 7 8.197 14.287 -12.683 61 HG21 VAL 7 3HG2 VAL 7 10.432 16.480 -11.546 62 HG22 VAL 7 1HG2 VAL 7 9.121 17.557 -11.062 63 HG23 VAL 7 2HG2 VAL 7 10.022 16.659 -9.840 64 H LYS 8 H LYS 8 6.836 18.497 -11.520 65 HA LYS 8 HA LYS 8 6.949 18.360 -14.458 66 HB2 LYS 8 2HB LYS 8 5.684 20.464 -14.450 67 HB3 LYS 8 3HB LYS 8 4.829 19.195 -13.582 68 HG2 LYS 8 2HG LYS 8 6.113 20.295 -11.525 69 HG3 LYS 8 3HG LYS 8 6.029 21.706 -12.583 70 HD2 LYS 8 2HD LYS 8 3.616 20.019 -11.974 71 HD3 LYS 8 3HD LYS 8 4.108 21.360 -10.936 72 HE2 LYS 8 2HE LYS 8 4.012 22.030 -13.783 73 HE3 LYS 8 3HE LYS 8 2.454 21.554 -13.109 74 HZ1 LYS 8 3HZ LYS 8 4.226 23.708 -12.089 75 HZ2 LYS 8 1HZ LYS 8 2.784 23.216 -11.353 76 HZ3 LYS 8 2HZ LYS 8 2.752 23.916 -12.893 77 H TRP 9 H TRP 9 8.754 19.073 -15.360 78 HA TRP 9 HA TRP 9 10.263 21.204 -13.992 79 HB2 TRP 9 2HB TRP 9 11.690 19.372 -13.816 80 HB3 TRP 9 3HB TRP 9 11.202 18.715 -15.376 81 HD1 TRP 9 HD1 TRP 9 13.101 18.861 -17.067 82 HE1 TRP 9 HE1 TRP 9 15.017 20.504 -17.569 83 HE3 TRP 9 HE3 TRP 9 12.207 22.298 -13.389 84 HZ2 TRP 9 HZ2 TRP 9 16.018 22.935 -16.542 85 HZ3 TRP 9 HZ3 TRP 9 13.691 24.253 -13.217 86 HH2 TRP 9 HH2 TRP 9 15.556 24.563 -14.761 87 H GLY 10 H GLY 10 9.741 23.010 -15.086 88 HA2 GLY 10 2HA GLY 10 10.226 24.473 -16.882 89 HA3 GLY 10 3HA GLY 10 10.413 23.079 -17.935 90 H GLY 11 H GLY 11 8.497 21.981 -18.675 91 HA2 GLY 11 2HA GLY 11 5.952 23.339 -18.267 92 HA3 GLY 11 3HA GLY 11 6.605 23.398 -19.897 93 H GLN 12 H GLN 12 7.294 20.591 -18.035 94 HA GLN 12 HA GLN 12 5.138 19.121 -19.395 95 HB2 GLN 12 2HB GLN 12 8.074 18.596 -19.388 96 HB3 GLN 12 3HB GLN 12 6.984 17.217 -19.377 97 HG2 GLN 12 2HG GLN 12 6.736 19.422 -21.393 98 HG3 GLN 12 3HG GLN 12 7.810 18.044 -21.632 99 HE21 GLN 12 1HE2 GLN 12 6.962 16.066 -22.123 100 HE22 GLN 12 2HE2 GLN 12 5.292 15.809 -22.483 101 H GLU 13 H GLU 13 5.079 16.770 -18.434 102 HA GLU 13 HA GLU 13 5.454 16.899 -15.522 103 HB2 GLU 13 2HB GLU 13 2.959 15.982 -16.961 104 HB3 GLU 13 3HB GLU 13 3.251 15.775 -15.239 105 HG2 GLU 13 2HG GLU 13 3.348 18.195 -14.958 106 HG3 GLU 13 3HG GLU 13 3.069 18.409 -16.685 107 H TYR 14 H TYR 14 6.013 14.997 -14.532 108 HA TYR 14 HA TYR 14 6.122 12.567 -16.167 109 HB2 TYR 14 2HB TYR 14 8.459 13.681 -14.601 110 HB3 TYR 14 3HB TYR 14 8.426 12.116 -15.406 111 HD1 TYR 14 HD1 TYR 14 8.178 15.770 -16.049 112 HD2 TYR 14 HD2 TYR 14 9.042 11.927 -17.657 113 HE1 TYR 14 HE1 TYR 14 8.992 16.825 -18.116 114 HE2 TYR 14 HE2 TYR 14 9.859 12.971 -19.729 115 HH TYR 14 HH TYR 14 9.188 15.919 -20.690 116 H SER 15 H SER 15 5.071 11.043 -15.098 117 HA SER 15 HA SER 15 4.649 11.228 -12.251 118 HB2 SER 15 2HB SER 15 3.195 10.164 -14.338 119 HB3 SER 15 3HB SER 15 3.831 8.726 -13.540 120 HG SER 15 HG SER 15 2.790 9.268 -11.702 121 H VAL 16 H VAL 16 5.551 10.010 -10.671 122 HA VAL 16 HA VAL 16 7.881 8.415 -11.416 123 HB VAL 16 HB VAL 16 6.959 9.380 -8.706 124 HG11 VAL 16 1HG1 VAL 16 9.425 7.871 -9.549 125 HG12 VAL 16 2HG1 VAL 16 9.267 8.705 -8.002 126 HG13 VAL 16 3HG1 VAL 16 8.192 7.363 -8.396 127 HG21 VAL 16 3HG2 VAL 16 8.168 10.793 -10.767 128 HG22 VAL 16 1HG2 VAL 16 8.089 11.265 -9.070 129 HG23 VAL 16 2HG2 VAL 16 9.493 10.387 -9.677 130 H THR 17 H THR 17 8.148 6.276 -10.894 131 HA THR 17 HA THR 17 6.158 4.865 -9.341 132 HB THR 17 HB THR 17 5.866 3.169 -11.268 133 HG1 THR 17 HG1 THR 17 6.909 5.436 -12.597 134 HG21 THR 17 3HG2 THR 17 3.805 4.039 -11.611 135 HG22 THR 17 1HG2 THR 17 4.430 5.636 -12.019 136 HG23 THR 17 2HG2 THR 17 4.290 5.150 -10.330 137 H THR 18 H THR 18 7.875 4.285 -8.007 138 HA THR 18 HA THR 18 9.156 1.875 -8.529 139 HB THR 18 HB THR 18 10.583 2.893 -10.124 140 HG1 THR 18 HG1 THR 18 12.144 1.858 -9.149 141 HG21 THR 18 3HG2 THR 18 10.763 5.123 -10.080 142 HG22 THR 18 1HG2 THR 18 12.025 4.898 -8.869 143 HG23 THR 18 2HG2 THR 18 10.362 5.196 -8.364 144 H LEU 19 H LEU 19 9.183 4.933 -6.829 145 HA LEU 19 HA LEU 19 10.577 3.812 -4.541 146 HB2 LEU 19 2HB LEU 19 9.998 6.439 -5.554 147 HB3 LEU 19 3HB LEU 19 9.498 6.313 -3.869 148 HG LEU 19 HG LEU 19 12.051 5.212 -3.918 149 HD11 LEU 19 1HD1 LEU 19 13.211 7.357 -4.904 150 HD12 LEU 19 2HD1 LEU 19 11.767 7.398 -5.915 151 HD13 LEU 19 3HD1 LEU 19 12.814 5.979 -5.931 152 HD21 LEU 19 3HD2 LEU 19 12.502 6.828 -2.365 153 HD22 LEU 19 1HD2 LEU 19 10.740 6.890 -2.364 154 HD23 LEU 19 2HD2 LEU 19 11.663 8.090 -3.268 155 H SER 20 H SER 20 9.627 4.079 -2.350 156 HA SER 20 HA SER 20 6.702 3.844 -2.320 157 HB2 SER 20 2HB SER 20 7.489 2.041 -0.381 158 HB3 SER 20 3HB SER 20 6.909 1.624 -1.993 159 HG SER 20 HG SER 20 9.191 0.979 -1.048 160 H GLU 21 H GLU 21 5.945 3.749 0.081 161 HA GLU 21 HA GLU 21 6.698 6.172 1.296 162 HB2 GLU 21 2HB GLU 21 5.247 3.856 2.586 163 HB3 GLU 21 3HB GLU 21 5.223 5.534 3.112 164 HG2 GLU 21 2HG GLU 21 3.998 6.203 1.186 165 HG3 GLU 21 3HG GLU 21 4.204 4.622 0.436 166 H ASP 22 H ASP 22 8.030 3.024 1.484 167 HA ASP 22 HA ASP 22 9.192 3.191 4.072 168 HB2 ASP 22 2HB ASP 22 8.856 1.161 2.359 169 HB3 ASP 22 3HB ASP 22 10.523 1.570 1.963 170 H ASP 23 H ASP 23 9.857 4.814 1.211 171 HA ASP 23 HA ASP 23 12.690 5.197 1.843 172 HB2 ASP 23 2HB ASP 23 11.222 6.360 -0.519 173 HB3 ASP 23 3HB ASP 23 12.953 6.089 -0.337 174 H THR 24 H THR 24 12.716 7.810 0.505 175 HA THR 24 HA THR 24 11.265 9.478 2.435 176 HB THR 24 HB THR 24 13.631 10.852 2.153 177 HG1 THR 24 HG1 THR 24 15.288 9.398 2.388 178 HG21 THR 24 3HG2 THR 24 13.655 10.746 4.412 179 HG22 THR 24 1HG2 THR 24 13.524 8.988 4.437 180 HG23 THR 24 2HG2 THR 24 12.084 9.976 4.192 181 H VAL 25 H VAL 25 11.320 11.816 1.810 182 HA VAL 25 HA VAL 25 10.385 12.173 -0.799 183 HB VAL 25 HB VAL 25 11.419 14.207 1.178 184 HG11 VAL 25 1HG1 VAL 25 11.603 15.224 -0.964 185 HG12 VAL 25 2HG1 VAL 25 10.033 14.595 -1.467 186 HG13 VAL 25 3HG1 VAL 25 10.127 15.843 -0.224 187 HG21 VAL 25 3HG2 VAL 25 8.947 14.677 1.391 188 HG22 VAL 25 1HG2 VAL 25 8.673 13.195 0.475 189 HG23 VAL 25 2HG2 VAL 25 9.490 13.128 2.036 190 H LEU 26 H LEU 26 13.558 12.875 0.617 191 HA LEU 26 HA LEU 26 14.688 14.077 -1.664 192 HB2 LEU 26 2HB LEU 26 16.551 14.242 -0.426 193 HB3 LEU 26 3HB LEU 26 15.485 13.740 0.885 194 HG LEU 26 HG LEU 26 16.281 11.333 0.154 195 HD11 LEU 26 1HD1 LEU 26 18.266 11.157 -0.940 196 HD12 LEU 26 2HD1 LEU 26 18.835 12.736 -0.401 197 HD13 LEU 26 3HD1 LEU 26 17.656 12.623 -1.708 198 HD21 LEU 26 3HD2 LEU 26 16.606 12.552 2.341 199 HD22 LEU 26 1HD2 LEU 26 18.153 13.108 1.703 200 HD23 LEU 26 2HD2 LEU 26 17.858 11.383 1.919 201 H ASP 27 H ASP 27 14.257 10.745 -0.727 202 HA ASP 27 HA ASP 27 16.079 9.638 -2.622 203 HB2 ASP 27 2HB ASP 27 14.960 8.597 -0.462 204 HB3 ASP 27 3HB ASP 27 13.737 8.079 -1.619 205 H LEU 28 H LEU 28 12.681 10.494 -2.661 206 HA LEU 28 HA LEU 28 12.152 9.202 -5.175 207 HB2 LEU 28 2HB LEU 28 10.487 9.694 -3.301 208 HB3 LEU 28 3HB LEU 28 10.481 11.350 -3.904 209 HG LEU 28 HG LEU 28 9.988 9.727 -6.136 210 HD11 LEU 28 1HD1 LEU 28 9.309 8.247 -3.895 211 HD12 LEU 28 2HD1 LEU 28 8.736 7.989 -5.543 212 HD13 LEU 28 3HD1 LEU 28 7.786 8.963 -4.422 213 HD21 LEU 28 3HD2 LEU 28 8.742 11.565 -6.330 214 HD22 LEU 28 1HD2 LEU 28 8.712 11.827 -4.586 215 HD23 LEU 28 2HD2 LEU 28 7.547 10.733 -5.334 216 H LYS 29 H LYS 29 12.551 12.564 -4.094 217 HA LYS 29 HA LYS 29 12.229 13.760 -6.618 218 HB2 LYS 29 2HB LYS 29 13.275 14.581 -3.978 219 HB3 LYS 29 3HB LYS 29 13.867 15.508 -5.350 220 HG2 LYS 29 2HG LYS 29 12.028 16.736 -4.864 221 HG3 LYS 29 3HG LYS 29 11.282 15.557 -5.945 222 HD2 LYS 29 2HD LYS 29 11.429 14.831 -3.079 223 HD3 LYS 29 3HD LYS 29 10.315 16.130 -3.513 224 HE2 LYS 29 2HE LYS 29 10.031 14.018 -5.402 225 HE3 LYS 29 3HE LYS 29 9.956 13.331 -3.781 226 HZ1 LYS 29 3HZ LYS 29 8.415 15.759 -4.244 227 HZ2 LYS 29 1HZ LYS 29 8.035 14.394 -3.319 228 HZ3 LYS 29 2HZ LYS 29 7.851 14.355 -5.000 229 H GLN 30 H GLN 30 15.216 12.991 -4.828 230 HA GLN 30 HA GLN 30 17.029 13.765 -6.791 231 HB2 GLN 30 2HB GLN 30 18.666 12.671 -5.547 232 HB3 GLN 30 3HB GLN 30 17.433 13.027 -4.345 233 HG2 GLN 30 2HG GLN 30 17.768 10.873 -3.798 234 HG3 GLN 30 3HG GLN 30 16.607 10.602 -5.096 235 HE21 GLN 30 1HE2 GLN 30 20.000 10.586 -4.243 236 HE22 GLN 30 2HE2 GLN 30 20.517 9.557 -5.530 237 H PHE 31 H PHE 31 14.951 11.030 -6.659 238 HA PHE 31 HA PHE 31 16.447 9.399 -8.487 239 HB2 PHE 31 2HB PHE 31 14.912 8.405 -6.837 240 HB3 PHE 31 3HB PHE 31 13.554 9.200 -7.625 241 HD1 PHE 31 HD1 PHE 31 12.742 8.434 -9.782 242 HD2 PHE 31 HD2 PHE 31 15.962 6.472 -7.807 243 HE1 PHE 31 HE1 PHE 31 12.478 6.500 -11.280 244 HE2 PHE 31 HE2 PHE 31 15.703 4.535 -9.302 245 HZ PHE 31 HZ PHE 31 13.960 4.547 -11.042 246 H LEU 32 H LEU 32 13.374 11.190 -8.741 247 HA LEU 32 HA LEU 32 13.135 10.823 -11.543 248 HB2 LEU 32 2HB LEU 32 11.440 12.665 -11.360 249 HB3 LEU 32 3HB LEU 32 11.159 11.261 -10.332 250 HG LEU 32 HG LEU 32 12.491 12.855 -8.610 251 HD11 LEU 32 1HD1 LEU 32 11.011 15.070 -9.128 252 HD12 LEU 32 2HD1 LEU 32 11.478 14.578 -10.755 253 HD13 LEU 32 3HD1 LEU 32 12.716 14.883 -9.537 254 HD21 LEU 32 3HD2 LEU 32 10.393 13.253 -7.574 255 HD22 LEU 32 1HD2 LEU 32 10.276 11.686 -8.376 256 HD23 LEU 32 2HD2 LEU 32 9.532 13.109 -9.107 257 H LYS 33 H LYS 33 14.369 13.464 -9.538 258 HA LYS 33 HA LYS 33 14.782 15.384 -11.496 259 HB2 LYS 33 2HB LYS 33 15.399 16.431 -9.620 260 HB3 LYS 33 3HB LYS 33 15.667 14.904 -8.789 261 HG2 LYS 33 2HG LYS 33 17.705 15.950 -10.708 262 HG3 LYS 33 3HG LYS 33 17.624 16.572 -9.058 263 HD2 LYS 33 2HD LYS 33 18.391 14.642 -8.152 264 HD3 LYS 33 3HD LYS 33 17.573 13.632 -9.346 265 HE2 LYS 33 2HE LYS 33 19.620 13.308 -10.194 266 HE3 LYS 33 3HE LYS 33 19.437 14.925 -10.869 267 HZ1 LYS 33 3HZ LYS 33 21.489 14.915 -9.760 268 HZ2 LYS 33 1HZ LYS 33 20.860 14.135 -8.397 269 HZ3 LYS 33 2HZ LYS 33 20.440 15.741 -8.721 270 H THR 34 H THR 34 16.541 12.464 -10.837 271 HA THR 34 HA THR 34 18.860 13.198 -12.378 272 HB THR 34 HB THR 34 18.446 11.313 -10.460 273 HG1 THR 34 HG1 THR 34 20.556 10.876 -10.825 274 HG21 THR 34 3HG2 THR 34 17.192 9.974 -12.239 275 HG22 THR 34 1HG2 THR 34 18.462 9.133 -11.351 276 HG23 THR 34 2HG2 THR 34 18.767 9.715 -12.988 277 H LEU 35 H LEU 35 15.780 11.769 -13.005 278 HA LEU 35 HA LEU 35 16.516 10.478 -15.458 279 HB2 LEU 35 2HB LEU 35 13.732 11.299 -14.702 280 HB3 LEU 35 3HB LEU 35 14.247 9.938 -15.696 281 HG LEU 35 HG LEU 35 14.606 10.168 -12.708 282 HD11 LEU 35 1HD1 LEU 35 12.724 8.951 -12.412 283 HD12 LEU 35 2HD1 LEU 35 12.914 8.078 -13.933 284 HD13 LEU 35 3HD1 LEU 35 12.270 9.720 -13.934 285 HD21 LEU 35 3HD2 LEU 35 14.869 7.533 -13.847 286 HD22 LEU 35 1HD2 LEU 35 15.980 8.425 -12.807 287 HD23 LEU 35 2HD2 LEU 35 16.039 8.647 -14.556 288 H THR 36 H THR 36 14.435 13.297 -14.772 289 HA THR 36 HA THR 36 15.409 14.524 -17.258 290 HB THR 36 HB THR 36 13.274 13.607 -17.872 291 HG1 THR 36 HG1 THR 36 13.649 15.717 -18.637 292 HG21 THR 36 3HG2 THR 36 11.254 13.948 -16.672 293 HG22 THR 36 1HG2 THR 36 12.004 15.133 -15.605 294 HG23 THR 36 2HG2 THR 36 12.450 13.431 -15.485 295 H GLY 37 H GLY 37 14.157 14.847 -14.027 296 HA2 GLY 37 2HA GLY 37 13.826 17.647 -13.954 297 HA3 GLY 37 3HA GLY 37 14.107 16.613 -12.561 298 H VAL 38 H VAL 38 15.227 18.843 -12.129 299 HA VAL 38 HA VAL 38 18.017 18.670 -13.062 300 HB VAL 38 HB VAL 38 17.260 20.773 -13.742 301 HG11 VAL 38 1HG1 VAL 38 15.249 21.336 -12.916 302 HG12 VAL 38 2HG1 VAL 38 15.573 20.590 -11.349 303 HG13 VAL 38 3HG1 VAL 38 16.183 22.208 -11.700 304 HG21 VAL 38 3HG2 VAL 38 19.371 20.879 -12.488 305 HG22 VAL 38 1HG2 VAL 38 18.449 22.377 -12.358 306 HG23 VAL 38 2HG2 VAL 38 18.468 21.234 -11.015 307 H LEU 39 H LEU 39 19.654 18.562 -11.603 308 HA LEU 39 HA LEU 39 19.221 17.510 -9.074 309 HB2 LEU 39 2HB LEU 39 21.638 18.417 -8.677 310 HB3 LEU 39 3HB LEU 39 21.342 17.117 -9.829 311 HG LEU 39 HG LEU 39 22.955 18.987 -10.505 312 HD11 LEU 39 1HD1 LEU 39 22.651 18.104 -12.514 313 HD12 LEU 39 2HD1 LEU 39 21.145 18.998 -12.715 314 HD13 LEU 39 3HD1 LEU 39 21.131 17.406 -11.955 315 HD21 LEU 39 3HD2 LEU 39 21.606 20.871 -9.772 316 HD22 LEU 39 1HD2 LEU 39 20.328 20.417 -10.899 317 HD23 LEU 39 2HD2 LEU 39 21.892 20.956 -11.511 318 HA PRO 40 HA PRO 40 18.195 20.887 -6.459 319 HB2 PRO 40 2HB PRO 40 19.266 20.039 -4.113 320 HB3 PRO 40 3HB PRO 40 17.809 19.328 -4.816 321 HG2 PRO 40 2HG PRO 40 20.633 18.339 -4.907 322 HG3 PRO 40 3HG PRO 40 19.137 17.428 -4.629 323 HD2 PRO 40 2HD PRO 40 20.390 17.473 -7.029 324 HD3 PRO 40 3HD PRO 40 18.627 17.336 -6.875 325 H GLU 41 H GLU 41 21.509 19.908 -6.852 326 HA GLU 41 HA GLU 41 22.856 21.777 -5.314 327 HB2 GLU 41 2HB GLU 41 24.066 20.011 -6.398 328 HB3 GLU 41 3HB GLU 41 23.574 20.577 -7.988 329 HG2 GLU 41 2HG GLU 41 25.933 21.098 -7.346 330 HG3 GLU 41 3HG GLU 41 24.964 22.483 -7.844 331 H ARG 42 H ARG 42 21.432 22.122 -8.522 332 HA ARG 42 HA ARG 42 22.193 24.959 -8.539 333 HB2 ARG 42 2HB ARG 42 21.591 22.960 -10.661 334 HB3 ARG 42 3HB ARG 42 21.170 24.637 -10.981 335 HG2 ARG 42 2HG ARG 42 23.315 25.275 -11.195 336 HG3 ARG 42 3HG ARG 42 23.877 24.191 -9.921 337 HD2 ARG 42 2HD ARG 42 23.794 22.308 -11.416 338 HD3 ARG 42 3HD ARG 42 23.052 23.293 -12.677 339 HE ARG 42 HE ARG 42 25.124 24.122 -13.210 340 HH11 ARG 42 1HH1 ARG 42 25.286 22.476 -10.146 341 HH12 ARG 42 2HH1 ARG 42 27.014 22.542 -10.054 342 HH21 ARG 42 1HH2 ARG 42 27.401 24.215 -13.100 343 HH22 ARG 42 2HH2 ARG 42 28.216 23.533 -11.734 344 H GLN 43 H GLN 43 19.428 22.782 -8.850 345 HA GLN 43 HA GLN 43 17.600 25.067 -8.826 346 HB2 GLN 43 2HB GLN 43 15.986 23.693 -9.727 347 HB3 GLN 43 3HB GLN 43 17.443 22.959 -10.383 348 HG2 GLN 43 2HG GLN 43 16.314 21.114 -9.651 349 HG3 GLN 43 3HG GLN 43 17.315 21.473 -8.245 350 HE21 GLN 43 1HE2 GLN 43 15.671 20.175 -7.149 351 HE22 GLN 43 2HE2 GLN 43 14.231 20.953 -6.597 352 H LYS 44 H LYS 44 15.775 25.084 -7.363 353 HA LYS 44 HA LYS 44 16.248 23.606 -4.862 354 HB2 LYS 44 2HB LYS 44 15.997 25.500 -3.540 355 HB3 LYS 44 3HB LYS 44 16.928 26.113 -4.900 356 HG2 LYS 44 2HG LYS 44 13.946 26.373 -4.577 357 HG3 LYS 44 3HG LYS 44 15.130 27.637 -4.237 358 HD2 LYS 44 2HD LYS 44 15.815 26.929 -6.772 359 HD3 LYS 44 3HD LYS 44 14.068 26.679 -6.803 360 HE2 LYS 44 2HE LYS 44 13.642 28.926 -6.208 361 HE3 LYS 44 3HE LYS 44 15.323 29.203 -5.756 362 HZ1 LYS 44 3HZ LYS 44 15.241 28.367 -8.430 363 HZ2 LYS 44 1HZ LYS 44 15.738 29.862 -7.812 364 HZ3 LYS 44 2HZ LYS 44 14.119 29.619 -8.239 365 H LEU 45 H LEU 45 14.443 22.922 -3.752 366 HA LEU 45 HA LEU 45 12.080 22.525 -5.262 367 HB2 LEU 45 2HB LEU 45 12.779 22.060 -2.378 368 HB3 LEU 45 3HB LEU 45 11.180 21.700 -3.025 369 HG LEU 45 HG LEU 45 12.439 19.669 -2.929 370 HD11 LEU 45 1HD1 LEU 45 12.204 18.910 -5.145 371 HD12 LEU 45 2HD1 LEU 45 12.507 20.514 -5.812 372 HD13 LEU 45 3HD1 LEU 45 11.003 20.188 -4.951 373 HD21 LEU 45 3HD2 LEU 45 14.571 19.353 -3.943 374 HD22 LEU 45 1HD2 LEU 45 14.676 20.794 -2.932 375 HD23 LEU 45 2HD2 LEU 45 14.525 20.954 -4.682 376 H LEU 46 H LEU 46 10.163 23.571 -5.274 377 HA LEU 46 HA LEU 46 10.065 26.184 -4.024 378 HB2 LEU 46 2HB LEU 46 8.244 24.754 -5.945 379 HB3 LEU 46 3HB LEU 46 7.883 26.345 -5.279 380 HG LEU 46 HG LEU 46 10.203 26.985 -6.289 381 HD11 LEU 46 1HD1 LEU 46 10.053 24.299 -7.069 382 HD12 LEU 46 2HD1 LEU 46 11.233 25.506 -7.579 383 HD13 LEU 46 3HD1 LEU 46 9.770 25.247 -8.530 384 HD21 LEU 46 3HD2 LEU 46 7.725 27.543 -6.989 385 HD22 LEU 46 1HD2 LEU 46 8.127 26.520 -8.369 386 HD23 LEU 46 2HD2 LEU 46 9.087 27.961 -8.031 387 H GLY 47 H GLY 47 7.992 23.281 -4.090 388 HA2 GLY 47 2HA GLY 47 6.700 24.246 -1.625 389 HA3 GLY 47 3HA GLY 47 6.019 23.064 -2.733 390 H LEU 48 H LEU 48 9.132 23.349 -1.018 391 HA LEU 48 HA LEU 48 9.456 20.601 -0.612 392 HB2 LEU 48 2HB LEU 48 11.164 21.196 0.999 393 HB3 LEU 48 3HB LEU 48 11.279 22.213 -0.435 394 HG LEU 48 HG LEU 48 9.852 23.868 1.052 395 HD11 LEU 48 1HD1 LEU 48 10.764 23.700 3.417 396 HD12 LEU 48 2HD1 LEU 48 11.173 22.030 3.026 397 HD13 LEU 48 3HD1 LEU 48 9.492 22.562 2.970 398 HD21 LEU 48 3HD2 LEU 48 12.729 23.669 1.801 399 HD22 LEU 48 1HD2 LEU 48 11.776 25.081 1.345 400 HD23 LEU 48 2HD2 LEU 48 12.301 23.936 0.111 401 H LYS 49 H LYS 49 7.401 22.834 0.940 402 HA LYS 49 HA LYS 49 6.908 20.920 3.127 403 HB2 LYS 49 2HB LYS 49 5.713 23.204 3.989 404 HB3 LYS 49 3HB LYS 49 7.351 22.723 4.410 405 HG2 LYS 49 2HG LYS 49 8.272 24.125 2.706 406 HG3 LYS 49 3HG LYS 49 6.666 24.486 2.070 407 HD2 LYS 49 2HD LYS 49 6.301 25.286 4.590 408 HD3 LYS 49 3HD LYS 49 8.045 25.537 4.475 409 HE2 LYS 49 2HE LYS 49 7.838 27.223 2.968 410 HE3 LYS 49 3HE LYS 49 6.401 26.525 2.222 411 HZ1 LYS 49 3HZ LYS 49 6.539 28.035 4.771 412 HZ2 LYS 49 1HZ LYS 49 5.160 27.210 4.243 413 HZ3 LYS 49 2HZ LYS 49 5.766 28.506 3.342 414 H VAL 50 H VAL 50 4.819 20.291 3.564 415 HA VAL 50 HA VAL 50 2.651 21.406 1.952 416 HB VAL 50 HB VAL 50 3.569 19.472 0.682 417 HG11 VAL 50 1HG1 VAL 50 3.850 17.411 1.547 418 HG12 VAL 50 2HG1 VAL 50 3.907 18.279 3.083 419 HG13 VAL 50 3HG1 VAL 50 2.405 17.521 2.552 420 HG21 VAL 50 3HG2 VAL 50 0.998 18.349 1.377 421 HG22 VAL 50 1HG2 VAL 50 0.922 20.107 1.258 422 HG23 VAL 50 2HG2 VAL 50 1.509 19.155 -0.106 423 H LYS 51 H LYS 51 0.618 21.195 2.861 424 HA LYS 51 HA LYS 51 -0.889 21.095 4.565 425 HB2 LYS 51 2HB LYS 51 0.598 18.545 5.222 426 HB3 LYS 51 3HB LYS 51 -1.006 18.976 5.798 427 HG2 LYS 51 2HG LYS 51 -0.864 19.119 2.921 428 HG3 LYS 51 3HG LYS 51 -0.374 17.529 3.513 429 HD2 LYS 51 2HD LYS 51 -2.855 18.856 4.547 430 HD3 LYS 51 3HD LYS 51 -2.875 17.964 3.023 431 HE2 LYS 51 2HE LYS 51 -3.127 16.081 4.172 432 HE3 LYS 51 3HE LYS 51 -1.535 16.336 4.886 433 HZ1 LYS 51 3HZ LYS 51 -4.174 16.800 6.022 434 HZ2 LYS 51 1HZ LYS 51 -2.984 17.939 6.409 435 HZ3 LYS 51 2HZ LYS 51 -2.742 16.305 6.774 436 H GLY 52 H GLY 52 1.594 22.532 5.037 437 HA2 GLY 52 2HA GLY 52 2.292 23.814 6.850 438 HA3 GLY 52 3HA GLY 52 1.344 22.781 7.910 439 H LYS 53 H LYS 53 2.898 20.543 6.298 440 HA LYS 53 HA LYS 53 4.912 20.216 8.339 441 HB2 LYS 53 2HB LYS 53 4.088 18.528 5.976 442 HB3 LYS 53 3HB LYS 53 5.402 18.085 7.059 443 HG2 LYS 53 2HG LYS 53 2.553 18.541 7.918 444 HG3 LYS 53 3HG LYS 53 3.272 16.962 7.590 445 HD2 LYS 53 2HD LYS 53 4.184 16.889 9.620 446 HD3 LYS 53 3HD LYS 53 4.925 18.476 9.401 447 HE2 LYS 53 2HE LYS 53 2.552 19.382 9.889 448 HE3 LYS 53 3HE LYS 53 2.249 17.778 10.553 449 HZ1 LYS 53 3HZ LYS 53 4.168 18.106 12.027 450 HZ2 LYS 53 1HZ LYS 53 2.956 19.257 12.289 451 HZ3 LYS 53 2HZ LYS 53 4.353 19.679 11.433 452 HA PRO 54 HA PRO 54 8.364 21.859 6.174 453 HB2 PRO 54 2HB PRO 54 10.356 20.299 7.160 454 HB3 PRO 54 3HB PRO 54 9.559 21.556 8.113 455 HG2 PRO 54 2HG PRO 54 9.082 18.600 8.100 456 HG3 PRO 54 3HG PRO 54 9.182 19.711 9.478 457 HD2 PRO 54 2HD PRO 54 6.822 18.840 8.477 458 HD3 PRO 54 3HD PRO 54 7.016 20.449 9.202 459 H ALA 55 H ALA 55 7.891 18.362 6.104 460 HA ALA 55 HA ALA 55 8.664 16.761 4.628 461 HB1 ALA 55 1HB ALA 55 6.683 17.277 3.528 462 HB2 ALA 55 2HB ALA 55 7.267 18.860 3.011 463 HB3 ALA 55 3HB ALA 55 7.895 17.397 2.252 464 H GLU 56 H GLU 56 10.840 18.271 5.384 465 HA GLU 56 HA GLU 56 12.289 19.478 3.317 466 HB2 GLU 56 2HB GLU 56 12.951 19.754 5.626 467 HB3 GLU 56 3HB GLU 56 13.251 18.030 5.788 468 HG2 GLU 56 2HG GLU 56 15.354 18.362 5.210 469 HG3 GLU 56 3HG GLU 56 14.817 18.923 3.628 470 H ASN 57 H ASN 57 13.378 16.426 4.744 471 HA ASN 57 HA ASN 57 13.348 15.076 2.188 472 HB2 ASN 57 2HB ASN 57 15.917 14.560 2.643 473 HB3 ASN 57 3HB ASN 57 15.410 15.958 1.701 474 HD21 ASN 57 1HD2 ASN 57 16.752 17.548 2.153 475 HD22 ASN 57 2HD2 ASN 57 17.235 18.048 3.734 476 H ASP 58 H ASP 58 14.336 15.081 5.574 477 HA ASP 58 HA ASP 58 14.724 12.305 5.847 478 HB2 ASP 58 2HB ASP 58 14.163 14.539 7.769 479 HB3 ASP 58 3HB ASP 58 14.155 12.871 8.334 480 H VAL 59 H VAL 59 11.923 14.042 5.249 481 HA VAL 59 HA VAL 59 10.088 12.385 6.723 482 HB VAL 59 HB VAL 59 9.422 14.227 4.430 483 HG11 VAL 59 1HG1 VAL 59 7.820 13.143 6.742 484 HG12 VAL 59 2HG1 VAL 59 7.252 14.394 5.634 485 HG13 VAL 59 3HG1 VAL 59 7.607 12.774 5.030 486 HG21 VAL 59 3HG2 VAL 59 8.834 15.579 6.763 487 HG22 VAL 59 1HG2 VAL 59 10.403 14.846 7.095 488 HG23 VAL 59 2HG2 VAL 59 10.199 15.897 5.693 489 H LYS 60 H LYS 60 8.706 10.817 5.910 490 HA LYS 60 HA LYS 60 9.668 9.484 3.500 491 HB2 LYS 60 2HB LYS 60 7.736 8.591 5.646 492 HB3 LYS 60 3HB LYS 60 8.209 7.612 4.264 493 HG2 LYS 60 2HG LYS 60 10.621 8.016 5.125 494 HG3 LYS 60 3HG LYS 60 9.819 8.431 6.641 495 HD2 LYS 60 2HD LYS 60 8.602 6.066 5.771 496 HD3 LYS 60 3HD LYS 60 10.329 5.840 5.487 497 HE2 LYS 60 2HE LYS 60 10.850 5.967 7.712 498 HE3 LYS 60 3HE LYS 60 9.472 7.001 8.087 499 HZ1 LYS 60 3HZ LYS 60 9.542 4.072 7.748 500 HZ2 LYS 60 1HZ LYS 60 8.095 4.926 7.549 501 HZ3 LYS 60 2HZ LYS 60 8.911 4.978 9.029 502 H LEU 61 H LEU 61 8.257 8.793 1.828 503 HA LEU 61 HA LEU 61 6.533 10.679 0.813 504 HB2 LEU 61 2HB LEU 61 6.219 7.730 0.318 505 HB3 LEU 61 3HB LEU 61 5.828 9.058 -0.772 506 HG LEU 61 HG LEU 61 8.591 8.154 0.036 507 HD11 LEU 61 1HD1 LEU 61 8.824 7.361 -2.181 508 HD12 LEU 61 2HD1 LEU 61 7.305 8.103 -2.682 509 HD13 LEU 61 3HD1 LEU 61 7.292 6.725 -1.582 510 HD21 LEU 61 3HD2 LEU 61 7.679 10.686 -0.899 511 HD22 LEU 61 1HD2 LEU 61 8.624 9.916 -2.174 512 HD23 LEU 61 2HD2 LEU 61 9.330 10.153 -0.575 513 H GLY 62 H GLY 62 5.700 7.786 2.706 514 HA2 GLY 62 2HA GLY 62 2.889 8.387 2.693 515 HA3 GLY 62 3HA GLY 62 3.685 7.135 3.636 516 H ALA 63 H ALA 63 5.513 9.569 4.468 517 HA ALA 63 HA ALA 63 4.080 10.051 6.924 518 HB1 ALA 63 1HB ALA 63 6.070 11.135 7.688 519 HB2 ALA 63 2HB ALA 63 6.542 9.671 6.823 520 HB3 ALA 63 3HB ALA 63 6.702 11.245 6.045 521 H LEU 64 H LEU 64 4.852 11.819 3.999 522 HA LEU 64 HA LEU 64 4.049 14.376 4.996 523 HB2 LEU 64 2HB LEU 64 4.018 13.736 2.089 524 HB3 LEU 64 3HB LEU 64 4.548 15.201 2.912 525 HG LEU 64 HG LEU 64 6.228 12.906 3.528 526 HD11 LEU 64 1HD1 LEU 64 6.441 13.871 0.706 527 HD12 LEU 64 2HD1 LEU 64 5.398 12.509 1.110 528 HD13 LEU 64 3HD1 LEU 64 7.126 12.427 1.450 529 HD21 LEU 64 3HD2 LEU 64 6.926 15.521 2.213 530 HD22 LEU 64 1HD2 LEU 64 7.973 14.465 3.160 531 HD23 LEU 64 2HD2 LEU 64 6.669 15.351 3.950 532 H LYS 65 H LYS 65 2.423 11.658 3.618 533 HA LYS 65 HA LYS 65 0.227 11.207 3.235 534 HB2 LYS 65 2HB LYS 65 -0.397 13.776 4.690 535 HB3 LYS 65 3HB LYS 65 -1.432 12.365 4.508 536 HG2 LYS 65 2HG LYS 65 1.164 12.375 6.031 537 HG3 LYS 65 3HG LYS 65 -0.426 12.606 6.762 538 HD2 LYS 65 2HD LYS 65 -1.118 10.403 5.949 539 HD3 LYS 65 3HD LYS 65 0.469 10.175 5.211 540 HE2 LYS 65 2HE LYS 65 1.528 10.250 7.385 541 HE3 LYS 65 3HE LYS 65 -0.017 10.604 8.157 542 HZ1 LYS 65 3HZ LYS 65 0.886 8.192 8.122 543 HZ2 LYS 65 1HZ LYS 65 0.268 8.161 6.548 544 HZ3 LYS 65 2HZ LYS 65 -0.761 8.469 7.854 545 H LEU 66 H LEU 66 1.681 12.613 1.256 546 HA LEU 66 HA LEU 66 -0.144 14.612 0.183 547 HB2 LEU 66 2HB LEU 66 2.644 13.870 -0.205 548 HB3 LEU 66 3HB LEU 66 1.798 14.165 -1.723 549 HG LEU 66 HG LEU 66 1.983 16.120 0.569 550 HD11 LEU 66 1HD1 LEU 66 4.121 16.171 -0.243 551 HD12 LEU 66 2HD1 LEU 66 3.347 17.333 -1.319 552 HD13 LEU 66 3HD1 LEU 66 3.637 15.682 -1.867 553 HD21 LEU 66 3HD2 LEU 66 0.213 15.968 -1.633 554 HD22 LEU 66 1HD2 LEU 66 1.340 17.288 -1.947 555 HD23 LEU 66 2HD2 LEU 66 0.393 17.274 -0.460 556 H LYS 67 H LYS 67 -1.039 14.458 -1.941 557 HA LYS 67 HA LYS 67 -2.178 11.921 -2.502 558 HB2 LYS 67 2HB LYS 67 -2.422 14.652 -3.497 559 HB3 LYS 67 3HB LYS 67 -2.566 13.456 -4.778 560 HG2 LYS 67 2HG LYS 67 -4.583 12.794 -4.091 561 HG3 LYS 67 3HG LYS 67 -4.108 12.795 -2.391 562 HD2 LYS 67 2HD LYS 67 -4.433 15.184 -2.258 563 HD3 LYS 67 3HD LYS 67 -4.766 15.269 -3.989 564 HE2 LYS 67 2HE LYS 67 -6.880 14.509 -3.751 565 HE3 LYS 67 3HE LYS 67 -6.446 13.396 -2.455 566 HZ1 LYS 67 3HZ LYS 67 -6.172 15.558 -1.094 567 HZ2 LYS 67 1HZ LYS 67 -7.726 14.947 -1.370 568 HZ3 LYS 67 2HZ LYS 67 -7.153 16.247 -2.288 569 HA PRO 68 HA PRO 68 0.631 10.083 -5.327 570 HB2 PRO 68 2HB PRO 68 -1.030 8.989 -7.175 571 HB3 PRO 68 3HB PRO 68 -0.861 8.348 -5.536 572 HG2 PRO 68 2HG PRO 68 -2.982 10.135 -6.662 573 HG3 PRO 68 3HG PRO 68 -3.153 8.737 -5.586 574 HD2 PRO 68 2HD PRO 68 -3.233 11.288 -4.683 575 HD3 PRO 68 3HD PRO 68 -2.585 9.952 -3.711 576 H ASN 69 H ASN 69 -1.873 12.100 -6.809 577 HA ASN 69 HA ASN 69 -0.402 12.450 -9.255 578 HB2 ASN 69 2HB ASN 69 -2.708 14.152 -8.318 579 HB3 ASN 69 3HB ASN 69 -2.206 13.813 -9.972 580 HD21 ASN 69 1HD2 ASN 69 -4.803 13.461 -8.737 581 HD22 ASN 69 2HD2 ASN 69 -5.199 11.787 -8.904 582 H THR 70 H THR 70 -0.342 13.862 -6.167 583 HA THR 70 HA THR 70 0.137 16.467 -6.288 584 HB THR 70 HB THR 70 1.967 14.460 -4.963 585 HG1 THR 70 HG1 THR 70 -0.450 14.916 -4.426 586 HG21 THR 70 3HG2 THR 70 2.432 16.516 -3.457 587 HG22 THR 70 1HG2 THR 70 1.897 17.456 -4.849 588 HG23 THR 70 2HG2 THR 70 3.286 16.379 -4.993 589 H LYS 71 H LYS 71 1.299 17.856 -7.443 590 HA LYS 71 HA LYS 71 3.414 16.819 -9.176 591 HB2 LYS 71 2HB LYS 71 2.259 19.604 -9.210 592 HB3 LYS 71 3HB LYS 71 3.141 18.783 -10.491 593 HG2 LYS 71 2HG LYS 71 1.162 18.282 -11.360 594 HG3 LYS 71 3HG LYS 71 0.974 17.134 -10.034 595 HD2 LYS 71 2HD LYS 71 -0.837 18.298 -9.447 596 HD3 LYS 71 3HD LYS 71 0.268 19.568 -8.916 597 HE2 LYS 71 2HE LYS 71 0.079 19.956 -11.647 598 HE3 LYS 71 3HE LYS 71 -1.560 19.508 -11.175 599 HZ1 LYS 71 3HZ LYS 71 -1.316 21.239 -9.373 600 HZ2 LYS 71 1HZ LYS 71 -1.442 21.824 -10.956 601 HZ3 LYS 71 2HZ LYS 71 0.065 21.776 -10.189 602 H ILE 72 H ILE 72 5.486 17.711 -9.248 603 HA ILE 72 HA ILE 72 6.218 19.324 -6.891 604 HB ILE 72 HB ILE 72 7.978 17.335 -8.328 605 HG12 ILE 72 2HG1 ILE 72 6.200 16.156 -7.167 606 HG13 ILE 72 3HG1 ILE 72 7.708 15.954 -6.282 607 HG21 ILE 72 1HG2 ILE 72 8.361 19.070 -5.906 608 HG22 ILE 72 2HG2 ILE 72 9.344 17.636 -6.199 609 HG23 ILE 72 3HG2 ILE 72 9.360 18.966 -7.356 610 HD11 ILE 72 3HD1 ILE 72 6.030 16.339 -4.678 611 HD12 ILE 72 1HD1 ILE 72 6.948 17.839 -4.798 612 HD13 ILE 72 2HD1 ILE 72 5.374 17.704 -5.582 613 H MET 73 H MET 73 7.169 21.224 -7.253 614 HA MET 73 HA MET 73 7.915 21.894 -10.006 615 HB2 MET 73 2HB MET 73 7.314 23.609 -7.595 616 HB3 MET 73 3HB MET 73 7.919 24.258 -9.113 617 HG2 MET 73 2HG MET 73 5.962 23.677 -10.268 618 HG3 MET 73 3HG MET 73 5.419 22.613 -8.973 619 HE1 MET 73 3HE MET 73 3.728 25.221 -10.471 620 HE2 MET 73 1HE MET 73 4.089 26.752 -9.672 621 HE3 MET 73 2HE MET 73 5.342 25.922 -10.595 622 H MET 74 H MET 74 9.930 22.635 -10.565 623 HA MET 74 HA MET 74 11.966 22.795 -8.461 624 HB2 MET 74 2HB MET 74 12.372 21.280 -11.043 625 HB3 MET 74 3HB MET 74 13.516 21.433 -9.716 626 HG2 MET 74 2HG MET 74 12.315 19.998 -8.346 627 HG3 MET 74 3HG MET 74 10.833 20.193 -9.279 628 HE1 MET 74 3HE MET 74 12.059 17.155 -8.423 629 HE2 MET 74 1HE MET 74 13.448 16.716 -9.418 630 HE3 MET 74 2HE MET 74 13.550 18.094 -8.322 631 H MET 75 H MET 75 12.890 24.723 -8.599 632 HA MET 75 HA MET 75 13.071 26.021 -11.231 633 HB2 MET 75 2HB MET 75 13.168 27.237 -8.465 634 HB3 MET 75 3HB MET 75 13.302 28.134 -9.971 635 HG2 MET 75 2HG MET 75 10.933 26.462 -9.887 636 HG3 MET 75 3HG MET 75 10.992 27.624 -8.563 637 HE1 MET 75 3HE MET 75 12.136 30.681 -10.622 638 HE2 MET 75 1HE MET 75 10.755 30.787 -9.530 639 HE3 MET 75 2HE MET 75 12.165 29.831 -9.076 640 H GLY 76 H GLY 76 15.004 26.279 -12.145 641 HA2 GLY 76 2HA GLY 76 17.352 27.117 -11.066 642 HA3 GLY 76 3HA GLY 76 17.371 25.386 -10.763 643 H THR 77 H THR 77 19.219 25.204 -12.113 644 HA THR 77 HA THR 77 18.525 25.148 -14.967 645 HB THR 77 HB THR 77 19.857 27.134 -14.742 646 HG1 THR 77 HG1 THR 77 21.672 26.488 -16.040 647 HG21 THR 77 3HG2 THR 77 22.362 26.069 -13.857 648 HG22 THR 77 1HG2 THR 77 21.121 25.710 -12.658 649 HG23 THR 77 2HG2 THR 77 21.407 27.376 -13.160 650 H ARG 78 H ARG 78 19.410 23.476 -16.146 651 HA ARG 78 HA ARG 78 20.041 21.108 -14.777 652 HB2 ARG 78 2HB ARG 78 20.139 21.973 -17.637 653 HB3 ARG 78 3HB ARG 78 20.894 20.452 -17.182 654 HG2 ARG 78 2HG ARG 78 18.879 19.568 -17.543 655 HG3 ARG 78 3HG ARG 78 18.459 20.252 -15.972 656 HD2 ARG 78 2HD ARG 78 16.785 21.199 -17.161 657 HD3 ARG 78 3HD ARG 78 18.028 22.397 -17.519 658 HE ARG 78 HE ARG 78 18.074 20.289 -19.416 659 HH11 ARG 78 1HH1 ARG 78 16.295 23.136 -18.494 660 HH12 ARG 78 2HH1 ARG 78 15.703 23.443 -20.093 661 HH21 ARG 78 1HH2 ARG 78 17.301 20.682 -21.526 662 HH22 ARG 78 2HH2 ARG 78 16.275 22.046 -21.817 663 H GLU 79 H GLU 79 22.025 19.837 -14.950 664 HA GLU 79 HA GLU 79 24.249 21.115 -13.932 665 HB2 GLU 79 2HB GLU 79 25.508 19.036 -14.734 666 HB3 GLU 79 3HB GLU 79 24.153 18.786 -13.643 667 HG2 GLU 79 2HG GLU 79 22.847 17.827 -15.254 668 HG3 GLU 79 3HG GLU 79 23.659 18.671 -16.571 669 H GLU 80 H GLU 80 26.374 21.474 -14.846 670 HA GLU 80 HA GLU 80 26.760 21.573 -17.672 671 HB2 GLU 80 2HB GLU 80 25.268 23.610 -17.043 672 HB3 GLU 80 3HB GLU 80 26.751 24.280 -16.376 673 HG2 GLU 80 2HG GLU 80 27.826 24.036 -18.573 674 HG3 GLU 80 3HG GLU 80 26.306 23.431 -19.229 675 H SER 81 H SER 81 28.074 20.546 -15.299 676 HA SER 81 HA SER 81 30.743 21.303 -15.917 677 HB2 SER 81 2HB SER 81 29.804 23.177 -14.359 678 HB3 SER 81 3HB SER 81 30.006 21.976 -13.084 679 HG SER 81 HG SER 81 32.204 21.847 -13.637 680 HN1 NH2 90 H1 NH2 90 31.077 18.959 -12.789 Start of MODEL 15 1 H1 MET 1 H MET 1 4.220 -0.124 0.765 2 HA MET 1 HA MET 1 3.937 -1.074 -1.926 3 HB2 MET 1 2HB MET 1 2.035 0.587 -2.394 4 HB3 MET 1 3HB MET 1 1.618 -0.935 -1.619 5 HG2 MET 1 2HG MET 1 2.250 1.239 0.236 6 HG3 MET 1 3HG MET 1 0.831 1.517 -0.770 7 HE1 MET 1 3HE MET 1 -0.698 0.673 2.528 8 HE2 MET 1 1HE MET 1 -0.203 1.880 1.340 9 HE3 MET 1 2HE MET 1 -1.570 0.819 1.001 10 H ALA 2 H ALA 2 3.894 0.919 -3.471 11 HA ALA 2 HA ALA 2 5.765 2.913 -2.374 12 HB1 ALA 2 1HB ALA 2 5.878 1.265 -4.738 13 HB2 ALA 2 2HB ALA 2 5.991 2.977 -5.150 14 HB3 ALA 2 3HB ALA 2 7.130 2.268 -4.005 15 H LEU 3 H LEU 3 5.510 5.081 -2.920 16 HA LEU 3 HA LEU 3 2.863 5.767 -4.012 17 HB2 LEU 3 2HB LEU 3 4.352 6.679 -1.703 18 HB3 LEU 3 3HB LEU 3 3.883 8.022 -2.743 19 HG LEU 3 HG LEU 3 1.995 5.994 -1.545 20 HD11 LEU 3 1HD1 LEU 3 1.673 8.759 -0.748 21 HD12 LEU 3 2HD1 LEU 3 3.252 8.119 -0.293 22 HD13 LEU 3 3HD1 LEU 3 1.783 7.303 0.240 23 HD21 LEU 3 3HD2 LEU 3 1.009 6.724 -3.539 24 HD22 LEU 3 1HD2 LEU 3 1.604 8.372 -3.335 25 HD23 LEU 3 2HD2 LEU 3 0.313 7.766 -2.297 26 HA PRO 4 HA PRO 4 5.388 7.343 -7.385 27 HB2 PRO 4 2HB PRO 4 3.286 7.796 -9.044 28 HB3 PRO 4 3HB PRO 4 3.993 6.194 -8.804 29 HG2 PRO 4 2HG PRO 4 1.540 7.385 -7.570 30 HG3 PRO 4 3HG PRO 4 1.786 5.754 -8.221 31 HD2 PRO 4 2HD PRO 4 1.868 6.292 -5.568 32 HD3 PRO 4 3HD PRO 4 2.854 5.019 -6.315 33 H ILE 5 H ILE 5 5.657 9.387 -8.369 34 HA ILE 5 HA ILE 5 3.892 11.562 -7.605 35 HB ILE 5 HB ILE 5 6.809 11.598 -6.822 36 HG12 ILE 5 2HG1 ILE 5 4.272 11.383 -5.198 37 HG13 ILE 5 3HG1 ILE 5 5.615 10.246 -5.250 38 HG21 ILE 5 1HG2 ILE 5 5.894 13.766 -7.619 39 HG22 ILE 5 2HG2 ILE 5 4.683 13.679 -6.341 40 HG23 ILE 5 3HG2 ILE 5 6.394 13.788 -5.928 41 HD11 ILE 5 3HD1 ILE 5 6.815 12.575 -4.439 42 HD12 ILE 5 1HD1 ILE 5 5.246 12.631 -3.637 43 HD13 ILE 5 2HD1 ILE 5 6.312 11.247 -3.394 44 H ILE 6 H ILE 6 3.898 13.216 -9.050 45 HA ILE 6 HA ILE 6 5.547 12.849 -11.433 46 HB ILE 6 HB ILE 6 3.039 14.401 -10.879 47 HG12 ILE 6 2HG1 ILE 6 3.424 12.738 -13.301 48 HG13 ILE 6 3HG1 ILE 6 3.409 11.876 -11.767 49 HG21 ILE 6 1HG2 ILE 6 3.232 15.215 -13.264 50 HG22 ILE 6 2HG2 ILE 6 4.304 15.984 -12.094 51 HG23 ILE 6 3HG2 ILE 6 4.932 14.752 -13.189 52 HD11 ILE 6 3HD1 ILE 6 1.205 11.956 -11.733 53 HD12 ILE 6 1HD1 ILE 6 1.246 13.718 -11.787 54 HD13 ILE 6 2HD1 ILE 6 1.220 12.790 -13.287 55 H VAL 7 H VAL 7 6.971 14.351 -12.203 56 HA VAL 7 HA VAL 7 7.403 16.756 -10.555 57 HB VAL 7 HB VAL 7 9.152 15.123 -10.056 58 HG11 VAL 7 1HG1 VAL 7 8.937 14.431 -12.720 59 HG12 VAL 7 2HG1 VAL 7 10.506 15.232 -12.623 60 HG13 VAL 7 3HG1 VAL 7 10.155 13.848 -11.586 61 HG21 VAL 7 3HG2 VAL 7 10.393 16.946 -9.772 62 HG22 VAL 7 1HG2 VAL 7 10.986 16.744 -11.421 63 HG23 VAL 7 2HG2 VAL 7 9.581 17.763 -11.108 64 H LYS 8 H LYS 8 7.263 18.577 -11.674 65 HA LYS 8 HA LYS 8 7.589 18.464 -14.596 66 HB2 LYS 8 2HB LYS 8 6.216 20.497 -14.671 67 HB3 LYS 8 3HB LYS 8 5.373 19.182 -13.864 68 HG2 LYS 8 2HG LYS 8 6.438 20.328 -11.720 69 HG3 LYS 8 3HG LYS 8 6.390 21.741 -12.776 70 HD2 LYS 8 2HD LYS 8 4.002 19.965 -12.337 71 HD3 LYS 8 3HD LYS 8 4.358 21.350 -11.303 72 HE2 LYS 8 2HE LYS 8 4.460 21.957 -14.159 73 HE3 LYS 8 3HE LYS 8 2.876 21.412 -13.611 74 HZ1 LYS 8 3HZ LYS 8 4.350 23.509 -12.146 75 HZ2 LYS 8 1HZ LYS 8 2.690 23.179 -12.140 76 HZ3 LYS 8 2HZ LYS 8 3.405 23.894 -13.496 77 H TRP 9 H TRP 9 9.432 19.247 -15.350 78 HA TRP 9 HA TRP 9 10.720 21.460 -13.890 79 HB2 TRP 9 2HB TRP 9 12.216 19.694 -13.604 80 HB3 TRP 9 3HB TRP 9 11.889 19.028 -15.202 81 HD1 TRP 9 HD1 TRP 9 13.925 19.274 -16.713 82 HE1 TRP 9 HE1 TRP 9 15.780 21.024 -17.057 83 HE3 TRP 9 HE3 TRP 9 12.519 22.658 -13.148 84 HZ2 TRP 9 HZ2 TRP 9 16.547 23.510 -15.962 85 HZ3 TRP 9 HZ3 TRP 9 13.868 24.696 -12.860 86 HH2 TRP 9 HH2 TRP 9 15.840 25.111 -14.238 87 H GLY 10 H GLY 10 10.131 23.221 -15.037 88 HA2 GLY 10 2HA GLY 10 10.672 24.717 -16.793 89 HA3 GLY 10 3HA GLY 10 11.038 23.339 -17.821 90 H GLY 11 H GLY 11 9.262 22.110 -18.701 91 HA2 GLY 11 2HA GLY 11 6.609 23.298 -18.512 92 HA3 GLY 11 3HA GLY 11 7.387 23.399 -20.085 93 H GLN 12 H GLN 12 8.112 20.646 -18.159 94 HA GLN 12 HA GLN 12 6.178 19.033 -19.683 95 HB2 GLN 12 2HB GLN 12 9.129 18.644 -19.354 96 HB3 GLN 12 3HB GLN 12 8.086 17.243 -19.555 97 HG2 GLN 12 2HG GLN 12 8.220 19.562 -21.468 98 HG3 GLN 12 3HG GLN 12 9.098 18.046 -21.660 99 HE21 GLN 12 1HE2 GLN 12 7.956 16.161 -22.143 100 HE22 GLN 12 2HE2 GLN 12 6.347 16.205 -22.770 101 H GLU 13 H GLU 13 6.189 16.686 -18.711 102 HA GLU 13 HA GLU 13 6.299 16.846 -15.779 103 HB2 GLU 13 2HB GLU 13 3.995 15.823 -17.443 104 HB3 GLU 13 3HB GLU 13 4.155 15.540 -15.715 105 HG2 GLU 13 2HG GLU 13 4.116 17.961 -15.328 106 HG3 GLU 13 3HG GLU 13 3.907 18.221 -17.059 107 H TYR 14 H TYR 14 6.893 14.988 -14.730 108 HA TYR 14 HA TYR 14 7.295 12.565 -16.331 109 HB2 TYR 14 2HB TYR 14 9.411 13.831 -14.578 110 HB3 TYR 14 3HB TYR 14 9.548 12.263 -15.366 111 HD1 TYR 14 HD1 TYR 14 9.164 15.894 -16.048 112 HD2 TYR 14 HD2 TYR 14 10.331 12.098 -17.573 113 HE1 TYR 14 HE1 TYR 14 10.086 16.988 -18.048 114 HE2 TYR 14 HE2 TYR 14 11.258 13.181 -19.577 115 HH TYR 14 HH TYR 14 11.704 15.108 -20.589 116 H SER 15 H SER 15 6.310 10.945 -15.344 117 HA SER 15 HA SER 15 5.603 11.119 -12.548 118 HB2 SER 15 2HB SER 15 4.474 8.917 -12.994 119 HB3 SER 15 3HB SER 15 3.937 10.229 -14.043 120 HG SER 15 HG SER 15 4.558 9.069 -15.666 121 H VAL 16 H VAL 16 6.488 10.028 -10.882 122 HA VAL 16 HA VAL 16 8.956 8.558 -11.414 123 HB VAL 16 HB VAL 16 7.802 9.507 -8.787 124 HG11 VAL 16 1HG1 VAL 16 9.243 7.559 -8.517 125 HG12 VAL 16 2HG1 VAL 16 10.517 8.363 -9.435 126 HG13 VAL 16 3HG1 VAL 16 10.015 9.007 -7.871 127 HG21 VAL 16 3HG2 VAL 16 8.643 11.508 -9.255 128 HG22 VAL 16 1HG2 VAL 16 10.238 10.793 -9.493 129 HG23 VAL 16 2HG2 VAL 16 9.122 10.931 -10.852 130 H THR 17 H THR 17 9.154 6.421 -11.181 131 HA THR 17 HA THR 17 7.209 4.939 -9.582 132 HB THR 17 HB THR 17 7.116 3.213 -11.502 133 HG1 THR 17 HG1 THR 17 8.462 3.959 -13.032 134 HG21 THR 17 3HG2 THR 17 5.588 5.527 -12.443 135 HG22 THR 17 1HG2 THR 17 5.425 5.219 -10.715 136 HG23 THR 17 2HG2 THR 17 5.027 3.954 -11.877 137 H THR 18 H THR 18 8.877 4.468 -8.144 138 HA THR 18 HA THR 18 10.303 2.116 -8.561 139 HB THR 18 HB THR 18 11.754 3.238 -10.088 140 HG1 THR 18 HG1 THR 18 13.642 2.765 -9.093 141 HG21 THR 18 3HG2 THR 18 12.998 5.246 -8.518 142 HG22 THR 18 1HG2 THR 18 11.256 5.502 -8.429 143 HG23 THR 18 2HG2 THR 18 12.059 5.442 -9.998 144 H LEU 19 H LEU 19 10.079 5.187 -6.895 145 HA LEU 19 HA LEU 19 11.380 4.152 -4.514 146 HB2 LEU 19 2HB LEU 19 10.746 6.738 -5.589 147 HB3 LEU 19 3HB LEU 19 10.137 6.604 -3.941 148 HG LEU 19 HG LEU 19 12.746 5.622 -3.824 149 HD11 LEU 19 1HD1 LEU 19 12.470 7.820 -5.810 150 HD12 LEU 19 2HD1 LEU 19 13.591 6.460 -5.776 151 HD13 LEU 19 3HD1 LEU 19 13.848 7.840 -4.708 152 HD21 LEU 19 3HD2 LEU 19 13.024 7.264 -2.245 153 HD22 LEU 19 1HD2 LEU 19 11.264 7.177 -2.321 154 HD23 LEU 19 2HD2 LEU 19 12.120 8.463 -3.171 155 H SER 20 H SER 20 10.281 4.405 -2.386 156 HA SER 20 HA SER 20 7.375 4.017 -2.536 157 HB2 SER 20 2HB SER 20 8.184 2.287 -0.512 158 HB3 SER 20 3HB SER 20 7.634 1.823 -2.123 159 HG SER 20 HG SER 20 10.325 2.519 -1.646 160 H GLU 21 H GLU 21 6.490 3.890 -0.171 161 HA GLU 21 HA GLU 21 7.050 6.369 1.052 162 HB2 GLU 21 2HB GLU 21 5.611 4.017 2.286 163 HB3 GLU 21 3HB GLU 21 5.470 5.705 2.756 164 HG2 GLU 21 2HG GLU 21 4.337 6.263 0.755 165 HG3 GLU 21 3HG GLU 21 4.708 4.699 0.031 166 H ASP 22 H ASP 22 8.476 3.271 1.379 167 HA ASP 22 HA ASP 22 9.444 3.490 4.034 168 HB2 ASP 22 2HB ASP 22 9.316 1.431 2.395 169 HB3 ASP 22 3HB ASP 22 10.939 1.951 1.950 170 H ASP 23 H ASP 23 10.403 4.918 1.067 171 HA ASP 23 HA ASP 23 13.109 5.491 1.932 172 HB2 ASP 23 2HB ASP 23 11.698 6.672 -0.458 173 HB3 ASP 23 3HB ASP 23 13.431 6.483 -0.204 174 H THR 24 H THR 24 13.069 8.153 0.646 175 HA THR 24 HA THR 24 11.513 9.710 2.584 176 HB THR 24 HB THR 24 13.828 11.176 2.426 177 HG1 THR 24 HG1 THR 24 14.658 8.505 2.900 178 HG21 THR 24 3HG2 THR 24 12.286 10.328 4.391 179 HG22 THR 24 1HG2 THR 24 13.932 10.880 4.701 180 HG23 THR 24 2HG2 THR 24 13.585 9.153 4.601 181 H VAL 25 H VAL 25 11.417 12.033 2.021 182 HA VAL 25 HA VAL 25 10.565 12.450 -0.589 183 HB VAL 25 HB VAL 25 11.617 14.605 1.244 184 HG11 VAL 25 1HG1 VAL 25 9.423 15.581 -0.070 185 HG12 VAL 25 2HG1 VAL 25 11.102 15.869 -0.531 186 HG13 VAL 25 3HG1 VAL 25 10.184 14.574 -1.301 187 HG21 VAL 25 3HG2 VAL 25 10.070 13.847 2.685 188 HG22 VAL 25 1HG2 VAL 25 8.916 14.602 1.585 189 HG23 VAL 25 2HG2 VAL 25 9.259 12.876 1.457 190 H LEU 26 H LEU 26 13.661 13.362 0.909 191 HA LEU 26 HA LEU 26 14.788 14.574 -1.355 192 HB2 LEU 26 2HB LEU 26 16.637 14.816 -0.093 193 HB3 LEU 26 3HB LEU 26 15.540 14.341 1.201 194 HG LEU 26 HG LEU 26 16.422 11.924 0.564 195 HD11 LEU 26 1HD1 LEU 26 18.953 13.410 0.110 196 HD12 LEU 26 2HD1 LEU 26 17.856 13.196 -1.253 197 HD13 LEU 26 3HD1 LEU 26 18.483 11.787 -0.398 198 HD21 LEU 26 3HD2 LEU 26 18.097 13.831 2.189 199 HD22 LEU 26 1HD2 LEU 26 17.956 12.084 2.389 200 HD23 LEU 26 2HD2 LEU 26 16.579 13.126 2.747 201 H ASP 27 H ASP 27 14.448 11.237 -0.444 202 HA ASP 27 HA ASP 27 16.406 10.189 -2.231 203 HB2 ASP 27 2HB ASP 27 15.279 9.076 -0.162 204 HB3 ASP 27 3HB ASP 27 14.016 8.626 -1.305 205 H LEU 28 H LEU 28 12.968 10.886 -2.463 206 HA LEU 28 HA LEU 28 12.654 9.628 -5.024 207 HB2 LEU 28 2HB LEU 28 10.848 9.997 -3.281 208 HB3 LEU 28 3HB LEU 28 10.837 11.684 -3.791 209 HG LEU 28 HG LEU 28 10.522 10.278 -6.156 210 HD11 LEU 28 1HD1 LEU 28 8.322 9.100 -4.741 211 HD12 LEU 28 2HD1 LEU 28 9.851 8.509 -4.092 212 HD13 LEU 28 3HD1 LEU 28 9.500 8.342 -5.812 213 HD21 LEU 28 3HD2 LEU 28 9.120 12.014 -6.177 214 HD22 LEU 28 1HD2 LEU 28 8.984 12.033 -4.418 215 HD23 LEU 28 2HD2 LEU 28 7.968 10.949 -5.369 216 H LYS 29 H LYS 29 12.863 12.987 -3.883 217 HA LYS 29 HA LYS 29 12.645 14.208 -6.406 218 HB2 LYS 29 2HB LYS 29 13.542 15.028 -3.704 219 HB3 LYS 29 3HB LYS 29 14.129 16.004 -5.044 220 HG2 LYS 29 2HG LYS 29 12.223 17.138 -4.698 221 HG3 LYS 29 3HG LYS 29 11.522 15.855 -5.687 222 HD2 LYS 29 2HD LYS 29 11.745 15.404 -2.756 223 HD3 LYS 29 3HD LYS 29 10.505 16.519 -3.333 224 HE2 LYS 29 2HE LYS 29 10.573 14.093 -4.907 225 HE3 LYS 29 3HE LYS 29 10.335 13.744 -3.196 226 HZ1 LYS 29 3HZ LYS 29 8.271 14.528 -3.274 227 HZ2 LYS 29 1HZ LYS 29 8.406 14.512 -4.960 228 HZ3 LYS 29 2HZ LYS 29 8.729 15.932 -4.099 229 H GLN 30 H GLN 30 15.557 13.543 -4.455 230 HA GLN 30 HA GLN 30 17.441 14.391 -6.318 231 HB2 GLN 30 2HB GLN 30 19.050 13.377 -4.980 232 HB3 GLN 30 3HB GLN 30 17.734 13.663 -3.849 233 HG2 GLN 30 2HG GLN 30 18.156 11.524 -3.295 234 HG3 GLN 30 3HG GLN 30 17.069 11.207 -4.646 235 HE21 GLN 30 1HE2 GLN 30 17.791 9.527 -5.730 236 HE22 GLN 30 2HE2 GLN 30 19.432 9.236 -6.186 237 H PHE 31 H PHE 31 15.482 11.562 -6.280 238 HA PHE 31 HA PHE 31 17.138 9.993 -8.020 239 HB2 PHE 31 2HB PHE 31 15.569 8.918 -6.476 240 HB3 PHE 31 3HB PHE 31 14.216 9.696 -7.291 241 HD1 PHE 31 HD1 PHE 31 13.624 9.035 -9.600 242 HD2 PHE 31 HD2 PHE 31 16.566 6.952 -7.338 243 HE1 PHE 31 HE1 PHE 31 13.456 7.127 -11.145 244 HE2 PHE 31 HE2 PHE 31 16.403 5.041 -8.879 245 HZ PHE 31 HZ PHE 31 14.847 5.127 -10.786 246 H LEU 32 H LEU 32 14.019 11.666 -8.460 247 HA LEU 32 HA LEU 32 13.968 11.289 -11.272 248 HB2 LEU 32 2HB LEU 32 12.184 13.056 -11.193 249 HB3 LEU 32 3HB LEU 32 11.901 11.633 -10.193 250 HG LEU 32 HG LEU 32 13.063 13.290 -8.392 251 HD11 LEU 32 1HD1 LEU 32 11.968 14.957 -10.562 252 HD12 LEU 32 2HD1 LEU 32 13.217 15.315 -9.371 253 HD13 LEU 32 3HD1 LEU 32 11.515 15.420 -8.922 254 HD21 LEU 32 3HD2 LEU 32 10.132 13.184 -9.099 255 HD22 LEU 32 1HD2 LEU 32 10.811 13.673 -7.546 256 HD23 LEU 32 2HD2 LEU 32 10.997 12.011 -8.105 257 H LYS 33 H LYS 33 14.964 13.971 -9.193 258 HA LYS 33 HA LYS 33 15.405 15.917 -11.122 259 HB2 LYS 33 2HB LYS 33 15.849 16.976 -9.202 260 HB3 LYS 33 3HB LYS 33 16.161 15.460 -8.367 261 HG2 LYS 33 2HG LYS 33 18.238 16.614 -10.173 262 HG3 LYS 33 3HG LYS 33 18.026 17.254 -8.542 263 HD2 LYS 33 2HD LYS 33 18.797 15.354 -7.550 264 HD3 LYS 33 3HD LYS 33 18.189 14.307 -8.835 265 HE2 LYS 33 2HE LYS 33 19.999 15.217 -10.307 266 HE3 LYS 33 3HE LYS 33 20.652 16.044 -8.894 267 HZ1 LYS 33 3HZ LYS 33 20.170 13.263 -8.417 268 HZ2 LYS 33 1HZ LYS 33 21.574 14.173 -8.162 269 HZ3 LYS 33 2HZ LYS 33 21.259 13.512 -9.687 270 H THR 34 H THR 34 17.252 13.077 -10.358 271 HA THR 34 HA THR 34 19.624 13.918 -11.754 272 HB THR 34 HB THR 34 19.197 12.022 -9.863 273 HG1 THR 34 HG1 THR 34 21.354 11.258 -10.590 274 HG21 THR 34 3HG2 THR 34 19.287 9.844 -10.726 275 HG22 THR 34 1HG2 THR 34 19.696 10.405 -12.346 276 HG23 THR 34 2HG2 THR 34 18.067 10.645 -11.715 277 H LEU 35 H LEU 35 16.652 12.370 -12.576 278 HA LEU 35 HA LEU 35 17.595 11.126 -14.983 279 HB2 LEU 35 2HB LEU 35 14.735 11.810 -14.399 280 HB3 LEU 35 3HB LEU 35 15.375 10.477 -15.358 281 HG LEU 35 HG LEU 35 15.536 10.717 -12.353 282 HD11 LEU 35 1HD1 LEU 35 14.027 8.546 -13.659 283 HD12 LEU 35 2HD1 LEU 35 13.308 10.153 -13.738 284 HD13 LEU 35 3HD1 LEU 35 13.689 9.434 -12.173 285 HD21 LEU 35 3HD2 LEU 35 16.240 8.371 -14.107 286 HD22 LEU 35 1HD2 LEU 35 16.470 8.525 -12.365 287 HD23 LEU 35 2HD2 LEU 35 17.425 9.512 -13.470 288 H THR 36 H THR 36 15.349 13.841 -14.410 289 HA THR 36 HA THR 36 16.416 15.134 -16.821 290 HB THR 36 HB THR 36 14.373 14.109 -17.575 291 HG1 THR 36 HG1 THR 36 13.878 15.912 -18.558 292 HG21 THR 36 3HG2 THR 36 12.260 14.363 -16.517 293 HG22 THR 36 1HG2 THR 36 12.889 15.570 -15.396 294 HG23 THR 36 2HG2 THR 36 13.396 13.886 -15.255 295 H GLY 37 H GLY 37 14.942 15.363 -13.678 296 HA2 GLY 37 2HA GLY 37 14.454 18.138 -13.608 297 HA3 GLY 37 3HA GLY 37 14.709 17.109 -12.206 298 H VAL 38 H VAL 38 15.671 19.400 -11.702 299 HA VAL 38 HA VAL 38 18.518 19.391 -12.465 300 HB VAL 38 HB VAL 38 17.690 21.455 -13.172 301 HG11 VAL 38 1HG1 VAL 38 15.865 21.150 -10.896 302 HG12 VAL 38 2HG1 VAL 38 16.398 22.804 -11.199 303 HG13 VAL 38 3HG1 VAL 38 15.598 21.886 -12.476 304 HG21 VAL 38 3HG2 VAL 38 19.705 21.666 -11.776 305 HG22 VAL 38 1HG2 VAL 38 18.694 23.109 -11.704 306 HG23 VAL 38 2HG2 VAL 38 18.685 21.959 -10.368 307 H LEU 39 H LEU 39 20.071 19.370 -10.910 308 HA LEU 39 HA LEU 39 19.556 18.261 -8.422 309 HB2 LEU 39 2HB LEU 39 21.883 19.319 -7.873 310 HB3 LEU 39 3HB LEU 39 21.738 18.012 -9.046 311 HG LEU 39 HG LEU 39 23.267 19.982 -9.619 312 HD11 LEU 39 1HD1 LEU 39 21.588 19.904 -11.929 313 HD12 LEU 39 2HD1 LEU 39 21.630 18.308 -11.181 314 HD13 LEU 39 3HD1 LEU 39 23.133 19.102 -11.647 315 HD21 LEU 39 3HD2 LEU 39 20.580 21.253 -10.131 316 HD22 LEU 39 1HD2 LEU 39 22.130 21.886 -10.687 317 HD23 LEU 39 2HD2 LEU 39 21.788 21.783 -8.960 318 HA PRO 40 HA PRO 40 18.164 21.532 -5.841 319 HB2 PRO 40 2HB PRO 40 19.149 20.725 -3.443 320 HB3 PRO 40 3HB PRO 40 17.785 19.931 -4.238 321 HG2 PRO 40 2HG PRO 40 20.667 19.127 -4.171 322 HG3 PRO 40 3HG PRO 40 19.220 18.118 -3.990 323 HD2 PRO 40 2HD PRO 40 20.605 18.274 -6.311 324 HD3 PRO 40 3HD PRO 40 18.849 18.022 -6.262 325 H GLU 41 H GLU 41 21.551 20.773 -6.047 326 HA GLU 41 HA GLU 41 22.681 22.706 -4.416 327 HB2 GLU 41 2HB GLU 41 24.071 21.039 -5.433 328 HB3 GLU 41 3HB GLU 41 23.631 21.576 -7.048 329 HG2 GLU 41 2HG GLU 41 24.833 23.631 -6.756 330 HG3 GLU 41 3HG GLU 41 25.158 23.246 -5.066 331 H ARG 42 H ARG 42 21.432 22.996 -7.701 332 HA ARG 42 HA ARG 42 22.008 25.875 -7.652 333 HB2 ARG 42 2HB ARG 42 21.647 23.868 -9.824 334 HB3 ARG 42 3HB ARG 42 21.161 25.526 -10.151 335 HG2 ARG 42 2HG ARG 42 23.274 25.884 -10.730 336 HG3 ARG 42 3HG ARG 42 23.651 25.810 -9.008 337 HD2 ARG 42 2HD ARG 42 24.035 23.390 -9.216 338 HD3 ARG 42 3HD ARG 42 23.699 23.497 -10.943 339 HE ARG 42 HE ARG 42 25.723 25.306 -10.429 340 HH11 ARG 42 1HH1 ARG 42 25.232 21.870 -10.160 341 HH12 ARG 42 2HH1 ARG 42 26.901 21.480 -10.417 342 HH21 ARG 42 1HH2 ARG 42 27.922 24.806 -10.768 343 HH22 ARG 42 2HH2 ARG 42 28.430 23.151 -10.762 344 H GLN 43 H GLN 43 19.411 23.531 -8.134 345 HA GLN 43 HA GLN 43 17.444 25.696 -8.196 346 HB2 GLN 43 2HB GLN 43 15.976 24.240 -9.211 347 HB3 GLN 43 3HB GLN 43 17.513 23.610 -9.789 348 HG2 GLN 43 2HG GLN 43 16.472 21.684 -9.150 349 HG3 GLN 43 3HG GLN 43 17.348 22.087 -7.675 350 HE21 GLN 43 1HE2 GLN 43 15.711 20.651 -6.732 351 HE22 GLN 43 2HE2 GLN 43 14.193 21.329 -6.264 352 H LYS 44 H LYS 44 15.536 25.570 -6.847 353 HA LYS 44 HA LYS 44 15.954 24.082 -4.342 354 HB2 LYS 44 2HB LYS 44 15.508 25.932 -3.012 355 HB3 LYS 44 3HB LYS 44 16.475 26.627 -4.306 356 HG2 LYS 44 2HG LYS 44 13.468 26.691 -4.159 357 HG3 LYS 44 3HG LYS 44 14.545 28.020 -3.723 358 HD2 LYS 44 2HD LYS 44 15.422 27.399 -6.228 359 HD3 LYS 44 3HD LYS 44 13.694 27.064 -6.364 360 HE2 LYS 44 2HE LYS 44 13.749 29.293 -6.912 361 HE3 LYS 44 3HE LYS 44 13.462 29.385 -5.175 362 HZ1 LYS 44 3HZ LYS 44 15.186 30.922 -5.834 363 HZ2 LYS 44 1HZ LYS 44 16.091 29.672 -6.526 364 HZ3 LYS 44 2HZ LYS 44 15.848 29.713 -4.853 365 H LEU 45 H LEU 45 14.143 23.236 -3.378 366 HA LEU 45 HA LEU 45 11.895 22.749 -5.029 367 HB2 LEU 45 2HB LEU 45 12.474 22.219 -2.130 368 HB3 LEU 45 3HB LEU 45 10.931 21.793 -2.869 369 HG LEU 45 HG LEU 45 12.291 19.832 -2.787 370 HD11 LEU 45 1HD1 LEU 45 12.349 19.200 -5.102 371 HD12 LEU 45 2HD1 LEU 45 12.374 20.890 -5.607 372 HD13 LEU 45 3HD1 LEU 45 10.939 20.224 -4.828 373 HD21 LEU 45 3HD2 LEU 45 14.401 21.317 -4.343 374 HD22 LEU 45 1HD2 LEU 45 14.493 19.676 -3.702 375 HD23 LEU 45 2HD2 LEU 45 14.460 21.053 -2.600 376 H LEU 46 H LEU 46 9.921 23.676 -5.117 377 HA LEU 46 HA LEU 46 9.588 26.233 -3.796 378 HB2 LEU 46 2HB LEU 46 7.970 24.745 -5.849 379 HB3 LEU 46 3HB LEU 46 7.452 26.277 -5.149 380 HG LEU 46 HG LEU 46 9.785 27.109 -6.012 381 HD11 LEU 46 1HD1 LEU 46 9.916 24.493 -6.868 382 HD12 LEU 46 2HD1 LEU 46 10.911 25.830 -7.444 383 HD13 LEU 46 3HD1 LEU 46 9.448 25.379 -8.320 384 HD21 LEU 46 3HD2 LEU 46 7.643 26.600 -8.055 385 HD22 LEU 46 1HD2 LEU 46 8.722 27.988 -7.910 386 HD23 LEU 46 2HD2 LEU 46 7.428 27.752 -6.735 387 H GLY 47 H GLY 47 7.523 23.338 -4.159 388 HA2 GLY 47 2HA GLY 47 6.171 24.085 -1.658 389 HA3 GLY 47 3HA GLY 47 5.549 22.971 -2.867 390 H LEU 48 H LEU 48 8.624 23.166 -1.074 391 HA LEU 48 HA LEU 48 9.015 20.429 -0.837 392 HB2 LEU 48 2HB LEU 48 10.547 20.964 0.998 393 HB3 LEU 48 3HB LEU 48 10.774 22.019 -0.395 394 HG LEU 48 HG LEU 48 9.118 23.550 1.068 395 HD11 LEU 48 1HD1 LEU 48 8.941 22.033 2.923 396 HD12 LEU 48 2HD1 LEU 48 9.885 23.437 3.421 397 HD13 LEU 48 3HD1 LEU 48 10.697 21.917 3.048 398 HD21 LEU 48 3HD2 LEU 48 11.950 23.400 0.545 399 HD22 LEU 48 1HD2 LEU 48 11.632 24.136 2.116 400 HD23 LEU 48 2HD2 LEU 48 10.900 24.813 0.661 401 H LYS 49 H LYS 49 6.923 22.533 0.941 402 HA LYS 49 HA LYS 49 6.337 20.386 2.865 403 HB2 LYS 49 2HB LYS 49 4.962 22.537 3.805 404 HB3 LYS 49 3HB LYS 49 6.595 22.108 4.300 405 HG2 LYS 49 2HG LYS 49 7.543 23.675 2.761 406 HG3 LYS 49 3HG LYS 49 5.962 24.003 2.049 407 HD2 LYS 49 2HD LYS 49 5.284 24.717 4.433 408 HD3 LYS 49 3HD LYS 49 7.020 24.791 4.743 409 HE2 LYS 49 2HE LYS 49 7.337 26.552 3.292 410 HE3 LYS 49 3HE LYS 49 5.909 26.160 2.336 411 HZ1 LYS 49 3HZ LYS 49 4.586 27.365 3.667 412 HZ2 LYS 49 1HZ LYS 49 6.018 28.145 4.117 413 HZ3 LYS 49 2HZ LYS 49 5.389 26.909 5.085 414 H VAL 50 H VAL 50 4.284 19.585 3.096 415 HA VAL 50 HA VAL 50 2.134 20.716 1.470 416 HB VAL 50 HB VAL 50 2.829 17.781 1.325 417 HG11 VAL 50 1HG1 VAL 50 0.742 17.586 0.584 418 HG12 VAL 50 2HG1 VAL 50 0.514 19.336 0.596 419 HG13 VAL 50 3HG1 VAL 50 1.214 18.546 -0.818 420 HG21 VAL 50 3HG2 VAL 50 3.563 20.078 -0.439 421 HG22 VAL 50 1HG2 VAL 50 4.540 18.705 0.083 422 HG23 VAL 50 2HG2 VAL 50 3.291 18.485 -1.143 423 H LYS 51 H LYS 51 0.078 20.297 2.238 424 HA LYS 51 HA LYS 51 -1.502 19.942 3.838 425 HB2 LYS 51 2HB LYS 51 0.111 17.410 4.178 426 HB3 LYS 51 3HB LYS 51 -1.465 17.682 4.908 427 HG2 LYS 51 2HG LYS 51 -1.050 17.883 1.946 428 HG3 LYS 51 3HG LYS 51 -1.368 16.340 2.742 429 HD2 LYS 51 2HD LYS 51 -3.194 18.491 3.527 430 HD3 LYS 51 3HD LYS 51 -3.280 18.061 1.817 431 HE2 LYS 51 2HE LYS 51 -3.162 15.741 3.575 432 HE3 LYS 51 3HE LYS 51 -4.561 16.767 3.886 433 HZ1 LYS 51 3HZ LYS 51 -4.981 15.030 2.215 434 HZ2 LYS 51 1HZ LYS 51 -3.807 15.720 1.212 435 HZ3 LYS 51 2HZ LYS 51 -5.205 16.589 1.597 436 H GLY 52 H GLY 52 0.852 21.455 4.601 437 HA2 GLY 52 2HA GLY 52 1.346 22.569 6.590 438 HA3 GLY 52 3HA GLY 52 0.469 21.329 7.474 439 H LYS 53 H LYS 53 2.216 19.395 5.743 440 HA LYS 53 HA LYS 53 4.236 19.067 7.777 441 HB2 LYS 53 2HB LYS 53 3.540 17.508 5.290 442 HB3 LYS 53 3HB LYS 53 4.900 17.089 6.323 443 HG2 LYS 53 2HG LYS 53 2.025 17.222 7.210 444 HG3 LYS 53 3HG LYS 53 2.904 15.747 6.800 445 HD2 LYS 53 2HD LYS 53 4.533 17.056 8.639 446 HD3 LYS 53 3HD LYS 53 2.895 17.268 9.261 447 HE2 LYS 53 2HE LYS 53 2.518 14.919 9.290 448 HE3 LYS 53 3HE LYS 53 3.999 14.607 8.386 449 HZ1 LYS 53 3HZ LYS 53 4.935 14.298 10.364 450 HZ2 LYS 53 1HZ LYS 53 3.629 14.975 11.200 451 HZ3 LYS 53 2HZ LYS 53 4.846 15.973 10.581 452 HA PRO 54 HA PRO 54 7.541 21.167 5.780 453 HB2 PRO 54 2HB PRO 54 9.652 19.761 6.749 454 HB3 PRO 54 3HB PRO 54 8.716 20.890 7.735 455 HG2 PRO 54 2HG PRO 54 8.528 17.907 7.580 456 HG3 PRO 54 3HG PRO 54 8.489 18.957 9.008 457 HD2 PRO 54 2HD PRO 54 6.247 17.911 7.907 458 HD3 PRO 54 3HD PRO 54 6.269 19.496 8.706 459 H ALA 55 H ALA 55 7.482 17.635 5.579 460 HA ALA 55 HA ALA 55 8.432 16.193 4.049 461 HB1 ALA 55 1HB ALA 55 7.661 16.970 1.656 462 HB2 ALA 55 2HB ALA 55 6.491 16.432 2.862 463 HB3 ALA 55 3HB ALA 55 6.742 18.156 2.584 464 H GLU 56 H GLU 56 10.384 17.991 4.906 465 HA GLU 56 HA GLU 56 11.721 19.233 2.717 466 HB2 GLU 56 2HB GLU 56 12.085 20.054 4.960 467 HB3 GLU 56 3HB GLU 56 12.673 18.482 5.484 468 HG2 GLU 56 2HG GLU 56 14.733 19.071 4.960 469 HG3 GLU 56 3HG GLU 56 14.250 19.297 3.280 470 H ASN 57 H ASN 57 13.112 16.705 4.786 471 HA ASN 57 HA ASN 57 13.694 15.037 2.483 472 HB2 ASN 57 2HB ASN 57 16.175 14.975 3.393 473 HB3 ASN 57 3HB ASN 57 15.666 16.204 2.239 474 HD21 ASN 57 1HD2 ASN 57 16.832 17.928 2.758 475 HD22 ASN 57 2HD2 ASN 57 16.909 18.648 4.326 476 H ASP 58 H ASP 58 14.026 15.603 5.949 477 HA ASP 58 HA ASP 58 14.617 12.892 6.606 478 HB2 ASP 58 2HB ASP 58 13.691 15.249 8.247 479 HB3 ASP 58 3HB ASP 58 13.986 13.662 8.951 480 H VAL 59 H VAL 59 11.875 14.231 5.396 481 HA VAL 59 HA VAL 59 10.021 12.599 6.961 482 HB VAL 59 HB VAL 59 9.021 14.161 4.653 483 HG11 VAL 59 1HG1 VAL 59 8.141 13.749 7.506 484 HG12 VAL 59 2HG1 VAL 59 7.278 14.750 6.336 485 HG13 VAL 59 3HG1 VAL 59 7.453 13.017 6.057 486 HG21 VAL 59 3HG2 VAL 59 10.348 15.410 7.034 487 HG22 VAL 59 1HG2 VAL 59 10.514 15.819 5.326 488 HG23 VAL 59 2HG2 VAL 59 9.031 16.226 6.190 489 H LYS 60 H LYS 60 8.716 11.004 6.051 490 HA LYS 60 HA LYS 60 9.841 9.758 3.662 491 HB2 LYS 60 2HB LYS 60 7.986 8.779 5.826 492 HB3 LYS 60 3HB LYS 60 8.279 7.855 4.359 493 HG2 LYS 60 2HG LYS 60 10.813 8.329 5.118 494 HG3 LYS 60 3HG LYS 60 10.015 8.311 6.693 495 HD2 LYS 60 2HD LYS 60 8.917 6.129 5.861 496 HD3 LYS 60 3HD LYS 60 10.191 6.132 4.639 497 HE2 LYS 60 2HE LYS 60 11.888 6.142 6.364 498 HE3 LYS 60 3HE LYS 60 10.654 6.263 7.617 499 HZ1 LYS 60 3HZ LYS 60 10.207 4.035 5.892 500 HZ2 LYS 60 1HZ LYS 60 10.342 4.079 7.578 501 HZ3 LYS 60 2HZ LYS 60 11.731 3.957 6.622 502 H LEU 61 H LEU 61 8.580 9.125 1.885 503 HA LEU 61 HA LEU 61 6.745 10.944 0.918 504 HB2 LEU 61 2HB LEU 61 6.715 8.040 0.153 505 HB3 LEU 61 3HB LEU 61 6.315 9.435 -0.847 506 HG LEU 61 HG LEU 61 9.058 8.593 0.079 507 HD11 LEU 61 1HD1 LEU 61 7.930 7.363 -1.828 508 HD12 LEU 61 2HD1 LEU 61 9.501 8.085 -2.176 509 HD13 LEU 61 3HD1 LEU 61 8.025 8.877 -2.728 510 HD21 LEU 61 3HD2 LEU 61 8.106 11.078 -1.315 511 HD22 LEU 61 1HD2 LEU 61 9.765 10.496 -1.456 512 HD23 LEU 61 2HD2 LEU 61 9.119 10.940 0.123 513 H GLY 62 H GLY 62 6.162 7.953 2.707 514 HA2 GLY 62 2HA GLY 62 3.310 8.097 2.462 515 HA3 GLY 62 3HA GLY 62 4.212 7.035 3.533 516 H ALA 63 H ALA 63 5.588 9.661 4.465 517 HA ALA 63 HA ALA 63 3.755 10.093 6.665 518 HB1 ALA 63 1HB ALA 63 5.560 11.414 7.642 519 HB2 ALA 63 2HB ALA 63 6.142 9.835 7.112 520 HB3 ALA 63 3HB ALA 63 6.483 11.271 6.145 521 H LEU 64 H LEU 64 4.551 11.601 3.694 522 HA LEU 64 HA LEU 64 3.636 14.232 4.484 523 HB2 LEU 64 2HB LEU 64 3.924 13.573 1.624 524 HB3 LEU 64 3HB LEU 64 4.482 14.981 2.525 525 HG LEU 64 HG LEU 64 5.820 12.277 2.571 526 HD11 LEU 64 1HD1 LEU 64 5.808 13.636 0.370 527 HD12 LEU 64 2HD1 LEU 64 7.338 13.015 0.989 528 HD13 LEU 64 3HD1 LEU 64 6.916 14.711 1.223 529 HD21 LEU 64 3HD2 LEU 64 7.303 14.689 3.321 530 HD22 LEU 64 1HD2 LEU 64 7.254 13.099 4.084 531 HD23 LEU 64 2HD2 LEU 64 5.982 14.276 4.416 532 H LYS 65 H LYS 65 2.280 11.344 3.264 533 HA LYS 65 HA LYS 65 0.215 10.771 2.490 534 HB2 LYS 65 2HB LYS 65 -0.729 13.242 3.945 535 HB3 LYS 65 3HB LYS 65 -1.651 11.784 3.602 536 HG2 LYS 65 2HG LYS 65 0.739 11.927 5.428 537 HG3 LYS 65 3HG LYS 65 -0.948 11.936 5.950 538 HD2 LYS 65 2HD LYS 65 -1.276 9.729 4.973 539 HD3 LYS 65 3HD LYS 65 0.390 9.723 4.391 540 HE2 LYS 65 2HE LYS 65 0.653 8.535 6.322 541 HE3 LYS 65 3HE LYS 65 0.908 10.165 6.943 542 HZ1 LYS 65 3HZ LYS 65 -1.233 10.226 7.846 543 HZ2 LYS 65 1HZ LYS 65 -0.665 8.678 8.227 544 HZ3 LYS 65 2HZ LYS 65 -1.760 8.888 6.955 545 H LEU 66 H LEU 66 1.698 12.200 0.637 546 HA LEU 66 HA LEU 66 -0.073 14.193 -0.534 547 HB2 LEU 66 2HB LEU 66 2.737 13.535 -0.695 548 HB3 LEU 66 3HB LEU 66 2.027 13.712 -2.299 549 HG LEU 66 HG LEU 66 2.015 15.788 -0.108 550 HD11 LEU 66 1HD1 LEU 66 3.837 15.174 -2.309 551 HD12 LEU 66 2HD1 LEU 66 4.087 16.154 -0.864 552 HD13 LEU 66 3HD1 LEU 66 3.289 16.850 -2.275 553 HD21 LEU 66 3HD2 LEU 66 0.228 16.587 -1.179 554 HD22 LEU 66 1HD2 LEU 66 0.443 15.483 -2.538 555 HD23 LEU 66 2HD2 LEU 66 1.338 17.002 -2.486 556 H LYS 67 H LYS 67 -0.844 14.043 -2.701 557 HA LYS 67 HA LYS 67 -1.908 11.495 -3.353 558 HB2 LYS 67 2HB LYS 67 -2.106 14.235 -4.373 559 HB3 LYS 67 3HB LYS 67 -2.228 13.011 -5.630 560 HG2 LYS 67 2HG LYS 67 -4.348 12.700 -5.092 561 HG3 LYS 67 3HG LYS 67 -3.851 12.154 -3.489 562 HD2 LYS 67 2HD LYS 67 -3.680 14.722 -3.001 563 HD3 LYS 67 3HD LYS 67 -4.773 14.852 -4.381 564 HE2 LYS 67 2HE LYS 67 -5.881 12.825 -2.876 565 HE3 LYS 67 3HE LYS 67 -5.291 13.955 -1.659 566 HZ1 LYS 67 3HZ LYS 67 -6.472 15.724 -2.982 567 HZ2 LYS 67 1HZ LYS 67 -7.467 14.624 -2.168 568 HZ3 LYS 67 2HZ LYS 67 -7.228 14.474 -3.835 569 HA PRO 68 HA PRO 68 1.104 9.736 -6.015 570 HB2 PRO 68 2HB PRO 68 -0.430 8.590 -7.939 571 HB3 PRO 68 3HB PRO 68 -0.323 7.957 -6.292 572 HG2 PRO 68 2HG PRO 68 -2.438 9.679 -7.527 573 HG3 PRO 68 3HG PRO 68 -2.621 8.278 -6.456 574 HD2 PRO 68 2HD PRO 68 -2.821 10.827 -5.567 575 HD3 PRO 68 3HD PRO 68 -2.182 9.512 -4.559 576 H ASN 69 H ASN 69 -1.399 11.632 -7.660 577 HA ASN 69 HA ASN 69 0.218 12.049 -10.004 578 HB2 ASN 69 2HB ASN 69 -1.609 13.501 -10.750 579 HB3 ASN 69 3HB ASN 69 -2.236 11.966 -10.158 580 HD21 ASN 69 1HD2 ASN 69 -3.549 11.929 -8.401 581 HD22 ASN 69 2HD2 ASN 69 -4.125 13.350 -7.605 582 H THR 70 H THR 70 -0.030 13.483 -6.934 583 HA THR 70 HA THR 70 0.296 16.108 -7.038 584 HB THR 70 HB THR 70 2.192 14.245 -5.598 585 HG1 THR 70 HG1 THR 70 -0.183 15.596 -4.781 586 HG21 THR 70 3HG2 THR 70 3.307 16.302 -5.561 587 HG22 THR 70 1HG2 THR 70 2.392 16.295 -4.054 588 HG23 THR 70 2HG2 THR 70 1.806 17.219 -5.437 589 H LYS 71 H LYS 71 1.553 17.621 -7.948 590 HA LYS 71 HA LYS 71 3.792 16.705 -9.609 591 HB2 LYS 71 2HB LYS 71 2.499 19.426 -9.700 592 HB3 LYS 71 3HB LYS 71 3.494 18.657 -10.929 593 HG2 LYS 71 2HG LYS 71 1.585 18.095 -11.916 594 HG3 LYS 71 3HG LYS 71 1.400 16.897 -10.633 595 HD2 LYS 71 2HD LYS 71 -0.568 17.960 -10.309 596 HD3 LYS 71 3HD LYS 71 0.436 19.076 -9.380 597 HE2 LYS 71 2HE LYS 71 -0.122 20.729 -10.753 598 HE3 LYS 71 3HE LYS 71 0.561 19.840 -12.113 599 HZ1 LYS 71 3HZ LYS 71 -2.045 20.500 -11.830 600 HZ2 LYS 71 1HZ LYS 71 -2.030 18.891 -11.304 601 HZ3 LYS 71 2HZ LYS 71 -1.455 19.282 -12.846 602 H ILE 72 H ILE 72 5.818 17.667 -9.502 603 HA ILE 72 HA ILE 72 6.297 19.299 -7.094 604 HB ILE 72 HB ILE 72 8.233 17.411 -8.440 605 HG12 ILE 72 2HG1 ILE 72 6.469 16.154 -7.344 606 HG13 ILE 72 3HG1 ILE 72 7.943 16.037 -6.389 607 HG21 ILE 72 1HG2 ILE 72 9.787 18.561 -7.345 608 HG22 ILE 72 2HG2 ILE 72 8.568 19.537 -6.526 609 HG23 ILE 72 3HG2 ILE 72 9.064 17.989 -5.841 610 HD11 ILE 72 3HD1 ILE 72 6.126 16.347 -4.897 611 HD12 ILE 72 1HD1 ILE 72 7.043 17.852 -4.934 612 HD13 ILE 72 2HD1 ILE 72 5.523 17.723 -5.820 613 H MET 73 H MET 73 7.160 21.255 -7.363 614 HA MET 73 HA MET 73 8.048 22.015 -10.050 615 HB2 MET 73 2HB MET 73 7.234 23.681 -7.665 616 HB3 MET 73 3HB MET 73 7.823 24.353 -9.179 617 HG2 MET 73 2HG MET 73 5.933 23.655 -10.360 618 HG3 MET 73 3HG MET 73 5.451 22.529 -9.094 619 HE1 MET 73 3HE MET 73 2.469 24.555 -8.320 620 HE2 MET 73 1HE MET 73 3.152 23.207 -9.230 621 HE3 MET 73 2HE MET 73 3.334 23.269 -7.477 622 H MET 74 H MET 74 10.052 22.868 -10.462 623 HA MET 74 HA MET 74 11.925 23.114 -8.218 624 HB2 MET 74 2HB MET 74 12.597 21.672 -10.786 625 HB3 MET 74 3HB MET 74 13.634 21.863 -9.379 626 HG2 MET 74 2HG MET 74 12.420 20.339 -8.119 627 HG3 MET 74 3HG MET 74 11.002 20.465 -9.157 628 HE1 MET 74 3HE MET 74 14.019 18.600 -8.173 629 HE2 MET 74 1HE MET 74 12.551 17.623 -8.127 630 HE3 MET 74 2HE MET 74 13.881 17.166 -9.191 631 H MET 75 H MET 75 12.737 25.096 -8.267 632 HA MET 75 HA MET 75 13.014 26.451 -10.861 633 HB2 MET 75 2HB MET 75 12.898 27.625 -8.078 634 HB3 MET 75 3HB MET 75 13.037 28.547 -9.569 635 HG2 MET 75 2HG MET 75 10.779 26.728 -9.604 636 HG3 MET 75 3HG MET 75 10.707 27.872 -8.265 637 HE1 MET 75 3HE MET 75 11.665 31.068 -10.278 638 HE2 MET 75 1HE MET 75 10.339 30.980 -9.118 639 HE3 MET 75 2HE MET 75 11.862 30.155 -8.782 640 H GLY 76 H GLY 76 14.979 26.863 -11.646 641 HA2 GLY 76 2HA GLY 76 17.209 27.798 -10.429 642 HA3 GLY 76 3HA GLY 76 17.305 26.070 -10.128 643 H THR 77 H THR 77 19.249 26.025 -11.362 644 HA THR 77 HA THR 77 18.729 25.918 -14.252 645 HB THR 77 HB THR 77 19.902 27.993 -13.962 646 HG1 THR 77 HG1 THR 77 20.645 26.808 -15.727 647 HG21 THR 77 3HG2 THR 77 21.144 26.661 -11.801 648 HG22 THR 77 1HG2 THR 77 21.326 28.346 -12.286 649 HG23 THR 77 2HG2 THR 77 22.421 27.121 -12.926 650 H ARG 78 H ARG 78 19.879 24.357 -15.392 651 HA ARG 78 HA ARG 78 20.565 22.022 -13.973 652 HB2 ARG 78 2HB ARG 78 20.781 22.902 -16.822 653 HB3 ARG 78 3HB ARG 78 21.620 21.441 -16.319 654 HG2 ARG 78 2HG ARG 78 19.709 20.401 -16.796 655 HG3 ARG 78 3HG ARG 78 19.129 21.061 -15.266 656 HD2 ARG 78 2HD ARG 78 17.475 21.858 -16.589 657 HD3 ARG 78 3HD ARG 78 18.638 23.157 -16.853 658 HE ARG 78 HE ARG 78 18.932 21.013 -18.724 659 HH11 ARG 78 1HH1 ARG 78 17.129 23.900 -17.991 660 HH12 ARG 78 2HH1 ARG 78 16.704 24.210 -19.641 661 HH21 ARG 78 1HH2 ARG 78 18.378 21.411 -20.901 662 HH22 ARG 78 2HH2 ARG 78 17.414 22.794 -21.296 663 H GLU 79 H GLU 79 22.653 20.896 -14.050 664 HA GLU 79 HA GLU 79 24.754 22.602 -13.131 665 HB2 GLU 79 2HB GLU 79 26.053 20.463 -12.976 666 HB3 GLU 79 3HB GLU 79 24.529 20.456 -12.100 667 HG2 GLU 79 2HG GLU 79 23.502 19.055 -13.662 668 HG3 GLU 79 3HG GLU 79 24.745 19.353 -14.876 669 H GLU 80 H GLU 80 27.082 21.962 -14.001 670 HA GLU 80 HA GLU 80 27.028 22.049 -16.941 671 HB2 GLU 80 2HB GLU 80 27.382 24.318 -15.857 672 HB3 GLU 80 3HB GLU 80 28.914 23.696 -15.259 673 HG2 GLU 80 2HG GLU 80 29.567 23.229 -17.616 674 HG3 GLU 80 3HG GLU 80 28.092 24.047 -18.130 675 H SER 81 H SER 81 29.100 21.611 -14.084 676 HA SER 81 HA SER 81 30.160 19.158 -15.057 677 HB2 SER 81 2HB SER 81 31.411 21.389 -16.127 678 HB3 SER 81 3HB SER 81 32.456 20.940 -14.779 679 HG SER 81 HG SER 81 32.890 19.885 -16.856 680 HN1 NH2 90 H1 NH2 90 31.810 18.791 -11.923 Start of MODEL 16 1 H1 MET 1 H MET 1 3.497 -0.476 0.067 2 HA MET 1 HA MET 1 4.570 -1.241 -2.052 3 HB2 MET 1 2HB MET 1 2.054 0.025 -3.142 4 HB3 MET 1 3HB MET 1 3.441 -0.407 -4.132 5 HG2 MET 1 2HG MET 1 2.782 -2.689 -2.624 6 HG3 MET 1 3HG MET 1 1.272 -2.036 -3.254 7 HE1 MET 1 3HE MET 1 0.563 -3.636 -5.578 8 HE2 MET 1 1HE MET 1 1.811 -4.878 -5.683 9 HE3 MET 1 2HE MET 1 1.191 -4.383 -4.108 10 H ALA 2 H ALA 2 5.286 0.465 -3.855 11 HA ALA 2 HA ALA 2 6.195 2.773 -2.348 12 HB1 ALA 2 1HB ALA 2 7.142 2.901 -5.001 13 HB2 ALA 2 2HB ALA 2 8.030 2.438 -3.548 14 HB3 ALA 2 3HB ALA 2 7.209 1.209 -4.510 15 H LEU 3 H LEU 3 5.836 4.915 -2.899 16 HA LEU 3 HA LEU 3 3.517 5.361 -4.649 17 HB2 LEU 3 2HB LEU 3 4.552 6.700 -2.202 18 HB3 LEU 3 3HB LEU 3 3.663 7.670 -3.375 19 HG LEU 3 HG LEU 3 2.392 6.664 -1.374 20 HD11 LEU 3 1HD1 LEU 3 0.521 5.949 -3.148 21 HD12 LEU 3 2HD1 LEU 3 1.626 6.803 -4.224 22 HD13 LEU 3 3HD1 LEU 3 0.948 7.629 -2.821 23 HD21 LEU 3 3HD2 LEU 3 3.429 4.371 -1.835 24 HD22 LEU 3 1HD2 LEU 3 2.256 4.246 -3.147 25 HD23 LEU 3 2HD2 LEU 3 1.701 4.432 -1.483 26 HA PRO 4 HA PRO 4 6.581 7.159 -7.400 27 HB2 PRO 4 2HB PRO 4 4.862 7.478 -9.477 28 HB3 PRO 4 3HB PRO 4 5.609 5.927 -9.078 29 HG2 PRO 4 2HG PRO 4 2.871 6.936 -8.414 30 HG3 PRO 4 3HG PRO 4 3.363 5.331 -8.984 31 HD2 PRO 4 2HD PRO 4 2.832 5.853 -6.380 32 HD3 PRO 4 3HD PRO 4 4.041 4.657 -6.886 33 H ILE 5 H ILE 5 6.902 9.222 -8.341 34 HA ILE 5 HA ILE 5 4.870 11.264 -7.954 35 HB ILE 5 HB ILE 5 7.584 11.526 -6.654 36 HG12 ILE 5 2HG1 ILE 5 4.830 11.123 -5.472 37 HG13 ILE 5 3HG1 ILE 5 6.201 10.024 -5.359 38 HG21 ILE 5 1HG2 ILE 5 5.228 13.400 -6.530 39 HG22 ILE 5 2HG2 ILE 5 6.838 13.656 -5.860 40 HG23 ILE 5 3HG2 ILE 5 6.608 13.612 -7.608 41 HD11 ILE 5 3HD1 ILE 5 7.110 12.449 -4.327 42 HD12 ILE 5 1HD1 ILE 5 5.485 12.235 -3.678 43 HD13 ILE 5 2HD1 ILE 5 6.704 10.984 -3.433 44 H ILE 6 H ILE 6 5.005 12.876 -9.426 45 HA ILE 6 HA ILE 6 7.131 12.664 -11.419 46 HB ILE 6 HB ILE 6 4.423 13.963 -11.430 47 HG12 ILE 6 2HG1 ILE 6 5.294 12.375 -13.725 48 HG13 ILE 6 3HG1 ILE 6 5.343 11.474 -12.213 49 HG21 ILE 6 1HG2 ILE 6 5.014 14.745 -13.757 50 HG22 ILE 6 2HG2 ILE 6 5.764 15.634 -12.432 51 HG23 ILE 6 3HG2 ILE 6 6.700 14.443 -13.336 52 HD11 ILE 6 3HD1 ILE 6 2.895 12.934 -12.369 53 HD12 ILE 6 1HD1 ILE 6 3.125 11.997 -13.845 54 HD13 ILE 6 2HD1 ILE 6 3.155 11.192 -12.276 55 H VAL 7 H VAL 7 8.524 14.300 -11.925 56 HA VAL 7 HA VAL 7 8.355 16.756 -10.306 57 HB VAL 7 HB VAL 7 10.104 15.333 -9.374 58 HG11 VAL 7 1HG1 VAL 7 10.536 14.559 -11.994 59 HG12 VAL 7 2HG1 VAL 7 11.970 15.504 -11.588 60 HG13 VAL 7 3HG1 VAL 7 11.517 14.117 -10.596 61 HG21 VAL 7 3HG2 VAL 7 11.088 17.275 -8.923 62 HG22 VAL 7 1HG2 VAL 7 12.027 17.096 -10.405 63 HG23 VAL 7 2HG2 VAL 7 10.497 17.974 -10.430 64 H LYS 8 H LYS 8 8.293 18.538 -11.494 65 HA LYS 8 HA LYS 8 9.276 18.416 -14.266 66 HB2 LYS 8 2HB LYS 8 7.723 20.223 -14.767 67 HB3 LYS 8 3HB LYS 8 6.868 18.871 -14.035 68 HG2 LYS 8 2HG LYS 8 7.369 20.289 -11.831 69 HG3 LYS 8 3HG LYS 8 7.339 21.602 -13.011 70 HD2 LYS 8 2HD LYS 8 5.160 19.536 -12.879 71 HD3 LYS 8 3HD LYS 8 5.133 20.984 -11.870 72 HE2 LYS 8 2HE LYS 8 5.695 21.536 -14.680 73 HE3 LYS 8 3HE LYS 8 4.126 20.777 -14.418 74 HZ1 LYS 8 3HZ LYS 8 3.316 22.628 -13.514 75 HZ2 LYS 8 1HZ LYS 8 4.666 23.421 -14.153 76 HZ3 LYS 8 2HZ LYS 8 4.683 22.882 -12.551 77 H TRP 9 H TRP 9 11.074 19.493 -14.705 78 HA TRP 9 HA TRP 9 11.739 21.852 -13.069 79 HB2 TRP 9 2HB TRP 9 13.312 20.295 -12.328 80 HB3 TRP 9 3HB TRP 9 13.471 19.552 -13.918 81 HD1 TRP 9 HD1 TRP 9 15.795 20.001 -14.861 82 HE1 TRP 9 HE1 TRP 9 17.448 21.975 -14.861 83 HE3 TRP 9 HE3 TRP 9 13.108 23.310 -12.039 84 HZ2 TRP 9 HZ2 TRP 9 17.593 24.588 -13.804 85 HZ3 TRP 9 HZ3 TRP 9 14.075 25.526 -11.579 86 HH2 TRP 9 HH2 TRP 9 16.272 26.149 -12.444 87 H GLY 10 H GLY 10 11.371 23.537 -14.379 88 HA2 GLY 10 2HA GLY 10 12.160 25.004 -16.059 89 HA3 GLY 10 3HA GLY 10 12.831 23.624 -16.915 90 H GLY 11 H GLY 11 11.346 22.201 -18.046 91 HA2 GLY 11 2HA GLY 11 8.645 23.173 -18.487 92 HA3 GLY 11 3HA GLY 11 9.726 23.316 -19.864 93 H GLN 12 H GLN 12 10.260 20.670 -17.739 94 HA GLN 12 HA GLN 12 8.816 18.868 -19.561 95 HB2 GLN 12 2HB GLN 12 11.632 18.571 -18.517 96 HB3 GLN 12 3HB GLN 12 10.728 17.249 -19.243 97 HG2 GLN 12 2HG GLN 12 10.835 19.709 -20.840 98 HG3 GLN 12 3HG GLN 12 12.382 18.901 -20.593 99 HE21 GLN 12 1HE2 GLN 12 9.411 18.881 -22.251 100 HE22 GLN 12 2HE2 GLN 12 9.650 17.422 -23.145 101 H GLU 13 H GLU 13 8.829 16.549 -18.538 102 HA GLU 13 HA GLU 13 8.365 16.755 -15.642 103 HB2 GLU 13 2HB GLU 13 6.529 15.458 -17.663 104 HB3 GLU 13 3HB GLU 13 6.363 15.296 -15.920 105 HG2 GLU 13 2HG GLU 13 5.789 17.549 -15.650 106 HG3 GLU 13 3HG GLU 13 6.363 17.976 -17.261 107 H TYR 14 H TYR 14 8.955 15.000 -14.445 108 HA TYR 14 HA TYR 14 9.890 12.612 -15.877 109 HB2 TYR 14 2HB TYR 14 11.423 14.070 -13.714 110 HB3 TYR 14 3HB TYR 14 11.883 12.524 -14.417 111 HD1 TYR 14 HD1 TYR 14 11.304 16.096 -15.262 112 HD2 TYR 14 HD2 TYR 14 13.177 12.441 -16.370 113 HE1 TYR 14 HE1 TYR 14 12.549 17.276 -17.024 114 HE2 TYR 14 HE2 TYR 14 14.429 13.610 -18.135 115 HH TYR 14 HH TYR 14 13.775 16.953 -18.943 116 H SER 15 H SER 15 8.800 10.931 -15.130 117 HA SER 15 HA SER 15 7.523 11.007 -12.540 118 HB2 SER 15 2HB SER 15 7.380 8.424 -13.819 119 HB3 SER 15 3HB SER 15 6.085 9.574 -13.490 120 HG SER 15 HG SER 15 6.057 9.763 -15.585 121 H VAL 16 H VAL 16 8.197 10.053 -10.719 122 HA VAL 16 HA VAL 16 10.773 8.685 -10.764 123 HB VAL 16 HB VAL 16 9.105 9.680 -8.450 124 HG11 VAL 16 1HG1 VAL 16 11.615 8.083 -8.570 125 HG12 VAL 16 2HG1 VAL 16 11.442 9.297 -7.301 126 HG13 VAL 16 3HG1 VAL 16 10.268 7.987 -7.436 127 HG21 VAL 16 3HG2 VAL 16 11.295 10.825 -10.076 128 HG22 VAL 16 1HG2 VAL 16 9.957 11.622 -9.249 129 HG23 VAL 16 2HG2 VAL 16 11.372 11.100 -8.335 130 H THR 17 H THR 17 11.107 6.606 -10.087 131 HA THR 17 HA THR 17 8.901 5.046 -9.020 132 HB THR 17 HB THR 17 9.467 3.231 -10.808 133 HG1 THR 17 HG1 THR 17 10.792 3.938 -12.290 134 HG21 THR 17 3HG2 THR 17 7.430 5.065 -10.514 135 HG22 THR 17 1HG2 THR 17 7.427 3.687 -11.615 136 HG23 THR 17 2HG2 THR 17 7.921 5.277 -12.195 137 H THR 18 H THR 18 10.135 4.708 -7.185 138 HA THR 18 HA THR 18 11.747 2.472 -7.054 139 HB THR 18 HB THR 18 13.519 3.445 -8.240 140 HG1 THR 18 HG1 THR 18 14.345 2.574 -6.351 141 HG21 THR 18 3HG2 THR 18 14.301 5.807 -7.080 142 HG22 THR 18 1HG2 THR 18 12.542 5.923 -7.036 143 HG23 THR 18 2HG2 THR 18 13.370 5.660 -8.571 144 H LEU 19 H LEU 19 10.899 5.593 -5.767 145 HA LEU 19 HA LEU 19 11.742 4.914 -3.077 146 HB2 LEU 19 2HB LEU 19 10.885 7.306 -4.501 147 HB3 LEU 19 3HB LEU 19 10.176 7.176 -2.893 148 HG LEU 19 HG LEU 19 12.266 8.523 -2.991 149 HD11 LEU 19 1HD1 LEU 19 13.367 7.329 -1.069 150 HD12 LEU 19 2HD1 LEU 19 12.198 6.031 -1.309 151 HD13 LEU 19 3HD1 LEU 19 11.642 7.649 -0.881 152 HD21 LEU 19 3HD2 LEU 19 13.439 7.235 -4.700 153 HD22 LEU 19 1HD2 LEU 19 13.545 5.859 -3.600 154 HD23 LEU 19 2HD2 LEU 19 14.400 7.356 -3.225 155 H SER 20 H SER 20 10.332 4.713 -1.294 156 HA SER 20 HA SER 20 7.518 4.172 -1.956 157 HB2 SER 20 2HB SER 20 8.137 2.406 0.114 158 HB3 SER 20 3HB SER 20 7.876 1.987 -1.579 159 HG SER 20 HG SER 20 9.862 1.271 -1.352 160 H GLU 21 H GLU 21 6.151 4.026 0.068 161 HA GLU 21 HA GLU 21 6.344 6.410 1.516 162 HB2 GLU 21 2HB GLU 21 4.844 3.944 2.400 163 HB3 GLU 21 3HB GLU 21 4.489 5.615 2.815 164 HG2 GLU 21 2HG GLU 21 3.982 6.054 0.436 165 HG3 GLU 21 3HG GLU 21 4.228 4.341 0.102 166 H ASP 22 H ASP 22 7.818 3.347 2.024 167 HA ASP 22 HA ASP 22 8.266 3.546 4.821 168 HB2 ASP 22 2HB ASP 22 8.608 1.576 2.954 169 HB3 ASP 22 3HB ASP 22 10.273 2.060 3.265 170 H ASP 23 H ASP 23 9.534 5.257 2.224 171 HA ASP 23 HA ASP 23 12.051 5.851 3.606 172 HB2 ASP 23 2HB ASP 23 11.242 6.842 0.875 173 HB3 ASP 23 3HB ASP 23 12.863 6.728 1.557 174 H THR 24 H THR 24 12.236 8.434 2.180 175 HA THR 24 HA THR 24 10.232 10.003 3.654 176 HB THR 24 HB THR 24 12.452 11.619 3.753 177 HG1 THR 24 HG1 THR 24 14.095 10.233 4.630 178 HG21 THR 24 3HG2 THR 24 12.022 9.785 6.046 179 HG22 THR 24 1HG2 THR 24 10.640 10.736 5.503 180 HG23 THR 24 2HG2 THR 24 12.123 11.545 6.008 181 H VAL 25 H VAL 25 10.321 12.371 2.949 182 HA VAL 25 HA VAL 25 9.870 12.496 0.161 183 HB VAL 25 HB VAL 25 10.326 14.874 1.958 184 HG11 VAL 25 1HG1 VAL 25 9.911 15.958 0.055 185 HG12 VAL 25 2HG1 VAL 25 9.411 14.479 -0.767 186 HG13 VAL 25 3HG1 VAL 25 8.250 15.385 0.204 187 HG21 VAL 25 3HG2 VAL 25 8.693 13.943 3.219 188 HG22 VAL 25 1HG2 VAL 25 7.653 14.610 1.959 189 HG23 VAL 25 2HG2 VAL 25 8.120 12.910 1.909 190 H LEU 26 H LEU 26 12.527 13.648 2.205 191 HA LEU 26 HA LEU 26 13.989 14.973 0.217 192 HB2 LEU 26 2HB LEU 26 15.555 15.275 1.807 193 HB3 LEU 26 3HB LEU 26 14.262 14.710 2.863 194 HG LEU 26 HG LEU 26 15.382 12.359 2.365 195 HD11 LEU 26 1HD1 LEU 26 17.058 13.749 0.872 196 HD12 LEU 26 2HD1 LEU 26 17.592 12.355 1.810 197 HD13 LEU 26 3HD1 LEU 26 17.866 13.986 2.422 198 HD21 LEU 26 3HD2 LEU 26 16.662 14.271 4.305 199 HD22 LEU 26 1HD2 LEU 26 16.479 12.524 4.458 200 HD23 LEU 26 2HD2 LEU 26 15.062 13.570 4.552 201 H ASP 27 H ASP 27 13.693 11.596 0.997 202 HA ASP 27 HA ASP 27 16.004 10.699 -0.395 203 HB2 ASP 27 2HB ASP 27 14.553 9.463 1.374 204 HB3 ASP 27 3HB ASP 27 13.552 9.008 -0.002 205 H LEU 28 H LEU 28 12.661 11.272 -1.308 206 HA LEU 28 HA LEU 28 12.974 10.109 -3.926 207 HB2 LEU 28 2HB LEU 28 10.830 10.311 -2.491 208 HB3 LEU 28 3HB LEU 28 10.751 11.951 -3.130 209 HG LEU 28 HG LEU 28 11.074 9.881 -5.180 210 HD11 LEU 28 1HD1 LEU 28 8.334 10.018 -4.063 211 HD12 LEU 28 2HD1 LEU 28 9.504 8.998 -3.227 212 HD13 LEU 28 3HD1 LEU 28 9.144 8.713 -4.930 213 HD21 LEU 28 3HD2 LEU 28 10.416 12.465 -5.205 214 HD22 LEU 28 1HD2 LEU 28 8.798 11.772 -5.092 215 HD23 LEU 28 2HD2 LEU 28 9.855 11.328 -6.432 216 H LYS 29 H LYS 29 12.621 13.395 -2.618 217 HA LYS 29 HA LYS 29 12.786 14.759 -5.063 218 HB2 LYS 29 2HB LYS 29 13.048 15.453 -2.205 219 HB3 LYS 29 3HB LYS 29 13.854 16.548 -3.320 220 HG2 LYS 29 2HG LYS 29 11.833 17.553 -3.284 221 HG3 LYS 29 3HG LYS 29 11.497 16.373 -4.553 222 HD2 LYS 29 2HD LYS 29 11.039 15.485 -1.770 223 HD3 LYS 29 3HD LYS 29 9.932 16.708 -2.398 224 HE2 LYS 29 2HE LYS 29 10.382 14.623 -4.340 225 HE3 LYS 29 3HE LYS 29 9.821 13.947 -2.811 226 HZ1 LYS 29 3HZ LYS 29 8.093 14.693 -4.530 227 HZ2 LYS 29 1HZ LYS 29 8.454 16.265 -4.018 228 HZ3 LYS 29 2HZ LYS 29 7.853 15.133 -2.915 229 H GLN 30 H GLN 30 15.336 14.239 -2.621 230 HA GLN 30 HA GLN 30 17.439 15.320 -4.101 231 HB2 GLN 30 2HB GLN 30 18.839 14.513 -2.457 232 HB3 GLN 30 3HB GLN 30 17.298 14.513 -1.609 233 HG2 GLN 30 2HG GLN 30 17.963 12.435 -1.054 234 HG3 GLN 30 3HG GLN 30 17.214 12.045 -2.601 235 HE21 GLN 30 1HE2 GLN 30 18.947 10.273 -1.776 236 HE22 GLN 30 2HE2 GLN 30 20.454 10.385 -2.614 237 H PHE 31 H PHE 31 15.795 12.313 -4.419 238 HA PHE 31 HA PHE 31 17.887 10.943 -5.824 239 HB2 PHE 31 2HB PHE 31 16.296 9.585 -4.670 240 HB3 PHE 31 3HB PHE 31 14.943 10.382 -5.466 241 HD1 PHE 31 HD2 PHE 31 17.632 7.930 -5.834 242 HD2 PHE 31 HD1 PHE 31 14.310 9.810 -7.719 243 HE1 PHE 31 HE2 PHE 31 17.651 6.201 -7.584 244 HE2 PHE 31 HE1 PHE 31 14.324 8.083 -9.472 245 HZ PHE 31 HZ PHE 31 15.996 6.277 -9.407 246 H LEU 32 H LEU 32 14.748 12.304 -6.830 247 HA LEU 32 HA LEU 32 15.228 11.964 -9.601 248 HB2 LEU 32 2HB LEU 32 13.317 13.570 -9.851 249 HB3 LEU 32 3HB LEU 32 12.983 12.129 -8.893 250 HG LEU 32 HG LEU 32 13.653 13.847 -6.930 251 HD11 LEU 32 1HD1 LEU 32 13.821 15.917 -7.751 252 HD12 LEU 32 2HD1 LEU 32 12.063 15.865 -7.877 253 HD13 LEU 32 3HD1 LEU 32 13.058 15.473 -9.279 254 HD21 LEU 32 3HD2 LEU 32 11.215 14.178 -6.624 255 HD22 LEU 32 1HD2 LEU 32 11.660 12.501 -6.943 256 HD23 LEU 32 2HD2 LEU 32 10.954 13.486 -8.226 257 H LYS 33 H LYS 33 15.575 14.727 -7.412 258 HA LYS 33 HA LYS 33 16.215 16.695 -9.261 259 HB2 LYS 33 2HB LYS 33 16.176 17.801 -7.317 260 HB3 LYS 33 3HB LYS 33 16.445 16.324 -6.401 261 HG2 LYS 33 2HG LYS 33 18.731 17.654 -7.787 262 HG3 LYS 33 3HG LYS 33 18.146 18.273 -6.241 263 HD2 LYS 33 2HD LYS 33 18.863 16.444 -5.084 264 HD3 LYS 33 3HD LYS 33 18.626 15.352 -6.450 265 HE2 LYS 33 2HE LYS 33 20.608 16.407 -7.539 266 HE3 LYS 33 3HE LYS 33 20.877 17.319 -6.054 267 HZ1 LYS 33 3HZ LYS 33 22.057 15.029 -6.495 268 HZ2 LYS 33 1HZ LYS 33 20.622 14.413 -5.845 269 HZ3 LYS 33 2HZ LYS 33 21.571 15.481 -4.940 270 H THR 34 H THR 34 18.111 14.032 -8.097 271 HA THR 34 HA THR 34 20.633 15.079 -9.008 272 HB THR 34 HB THR 34 19.977 13.126 -7.223 273 HG1 THR 34 HG1 THR 34 22.435 13.329 -8.656 274 HG21 THR 34 3HG2 THR 34 20.536 10.986 -8.036 275 HG22 THR 34 1HG2 THR 34 21.170 11.636 -9.548 276 HG23 THR 34 2HG2 THR 34 19.433 11.657 -9.238 277 H LEU 35 H LEU 35 18.030 13.266 -10.373 278 HA LEU 35 HA LEU 35 19.536 12.114 -12.525 279 HB2 LEU 35 2HB LEU 35 16.571 12.546 -12.549 280 HB3 LEU 35 3HB LEU 35 17.506 11.261 -13.312 281 HG LEU 35 HG LEU 35 17.017 11.558 -10.348 282 HD11 LEU 35 1HD1 LEU 35 15.263 10.166 -10.522 283 HD12 LEU 35 2HD1 LEU 35 16.001 9.224 -11.817 284 HD13 LEU 35 3HD1 LEU 35 15.202 10.753 -12.184 285 HD21 LEU 35 3HD2 LEU 35 18.577 10.012 -10.005 286 HD22 LEU 35 1HD2 LEU 35 19.076 10.233 -11.682 287 HD23 LEU 35 2HD2 LEU 35 17.912 8.975 -11.267 288 H THR 36 H THR 36 17.002 14.627 -12.452 289 HA THR 36 HA THR 36 18.407 15.998 -14.638 290 HB THR 36 HB THR 36 16.652 14.851 -15.780 291 HG1 THR 36 HG1 THR 36 15.513 17.405 -15.353 292 HG21 THR 36 3HG2 THR 36 14.792 14.217 -14.736 293 HG22 THR 36 1HG2 THR 36 14.283 15.900 -14.614 294 HG23 THR 36 2HG2 THR 36 15.247 15.175 -13.328 295 H GLY 37 H GLY 37 16.341 16.121 -11.838 296 HA2 GLY 37 2HA GLY 37 15.655 18.856 -11.915 297 HA3 GLY 37 3HA GLY 37 15.692 17.849 -10.474 298 H VAL 38 H VAL 38 16.376 20.194 -9.812 299 HA VAL 38 HA VAL 38 19.312 20.384 -9.990 300 HB VAL 38 HB VAL 38 18.502 22.383 -10.888 301 HG11 VAL 38 1HG1 VAL 38 16.284 21.951 -9.026 302 HG12 VAL 38 2HG1 VAL 38 16.762 23.640 -9.207 303 HG13 VAL 38 3HG1 VAL 38 16.297 22.697 -10.624 304 HG21 VAL 38 3HG2 VAL 38 18.865 23.001 -7.958 305 HG22 VAL 38 1HG2 VAL 38 20.179 22.706 -9.097 306 HG23 VAL 38 2HG2 VAL 38 19.122 24.101 -9.312 307 H LEU 39 H LEU 39 20.515 20.461 -8.155 308 HA LEU 39 HA LEU 39 19.591 19.328 -5.806 309 HB2 LEU 39 2HB LEU 39 21.668 20.561 -4.810 310 HB3 LEU 39 3HB LEU 39 21.868 19.252 -5.972 311 HG LEU 39 HG LEU 39 23.322 21.340 -6.244 312 HD11 LEU 39 1HD1 LEU 39 23.678 20.464 -8.247 313 HD12 LEU 39 2HD1 LEU 39 22.161 21.134 -8.847 314 HD13 LEU 39 3HD1 LEU 39 22.181 19.544 -8.085 315 HD21 LEU 39 3HD2 LEU 39 22.278 23.149 -7.551 316 HD22 LEU 39 1HD2 LEU 39 21.607 23.016 -5.926 317 HD23 LEU 39 2HD2 LEU 39 20.703 22.393 -7.307 318 HA PRO 40 HA PRO 40 17.439 22.483 -3.632 319 HB2 PRO 40 2HB PRO 40 17.922 21.721 -1.071 320 HB3 PRO 40 3HB PRO 40 16.820 20.847 -2.142 321 HG2 PRO 40 2HG PRO 40 19.663 20.230 -1.437 322 HG3 PRO 40 3HG PRO 40 18.280 19.129 -1.572 323 HD2 PRO 40 2HD PRO 40 20.130 19.393 -3.532 324 HD3 PRO 40 3HD PRO 40 18.426 19.027 -3.870 325 H GLU 41 H GLU 41 20.830 21.946 -3.083 326 HA GLU 41 HA GLU 41 21.446 23.934 -1.254 327 HB2 GLU 41 2HB GLU 41 23.123 22.358 -1.945 328 HB3 GLU 41 3HB GLU 41 23.028 22.909 -3.612 329 HG2 GLU 41 2HG GLU 41 24.214 24.830 -3.193 330 HG3 GLU 41 3HG GLU 41 23.794 24.844 -1.481 331 H ARG 42 H ARG 42 20.907 24.172 -4.729 332 HA ARG 42 HA ARG 42 21.278 27.082 -4.573 333 HB2 ARG 42 2HB ARG 42 21.547 25.073 -6.753 334 HB3 ARG 42 3HB ARG 42 21.015 26.689 -7.198 335 HG2 ARG 42 2HG ARG 42 23.112 27.384 -7.170 336 HG3 ARG 42 3HG ARG 42 23.230 26.967 -5.459 337 HD2 ARG 42 2HD ARG 42 24.011 24.786 -5.952 338 HD3 ARG 42 3HD ARG 42 23.589 24.945 -7.656 339 HE ARG 42 HE ARG 42 25.422 26.936 -7.147 340 HH11 ARG 42 1HH1 ARG 42 25.337 23.461 -6.950 341 HH12 ARG 42 2HH1 ARG 42 27.029 23.272 -7.268 342 HH21 ARG 42 1HH2 ARG 42 27.651 26.699 -7.566 343 HH22 ARG 42 2HH2 ARG 42 28.345 25.114 -7.617 344 H GLN 43 H GLN 43 19.008 24.576 -5.590 345 HA GLN 43 HA GLN 43 16.967 26.603 -6.116 346 HB2 GLN 43 2HB GLN 43 15.850 25.042 -7.389 347 HB3 GLN 43 3HB GLN 43 17.512 24.508 -7.604 348 HG2 GLN 43 2HG GLN 43 16.324 22.553 -7.194 349 HG3 GLN 43 3HG GLN 43 17.079 22.934 -5.647 350 HE21 GLN 43 1HE2 GLN 43 14.194 24.266 -7.203 351 HE22 GLN 43 2HE2 GLN 43 13.100 23.841 -5.936 352 H LYS 44 H LYS 44 14.807 26.326 -5.225 353 HA LYS 44 HA LYS 44 14.788 24.932 -2.632 354 HB2 LYS 44 2HB LYS 44 13.507 26.799 -1.676 355 HB3 LYS 44 3HB LYS 44 15.095 27.318 -2.226 356 HG2 LYS 44 2HG LYS 44 13.812 29.016 -3.035 357 HG3 LYS 44 3HG LYS 44 13.777 27.921 -4.419 358 HD2 LYS 44 2HD LYS 44 11.572 27.612 -4.234 359 HD3 LYS 44 3HD LYS 44 11.680 27.338 -2.494 360 HE2 LYS 44 2HE LYS 44 10.518 29.268 -2.394 361 HE3 LYS 44 3HE LYS 44 12.114 29.993 -2.580 362 HZ1 LYS 44 3HZ LYS 44 9.916 30.272 -4.256 363 HZ2 LYS 44 1HZ LYS 44 11.064 29.378 -5.119 364 HZ3 LYS 44 2HZ LYS 44 11.474 30.890 -4.483 365 H LEU 45 H LEU 45 12.932 23.870 -2.098 366 HA LEU 45 HA LEU 45 11.145 23.169 -4.172 367 HB2 LEU 45 2HB LEU 45 11.161 22.697 -1.209 368 HB3 LEU 45 3HB LEU 45 9.829 22.145 -2.223 369 HG LEU 45 HG LEU 45 11.290 20.299 -1.856 370 HD11 LEU 45 1HD1 LEU 45 10.372 20.746 -4.182 371 HD12 LEU 45 2HD1 LEU 45 11.726 19.623 -4.061 372 HD13 LEU 45 3HD1 LEU 45 12.000 21.279 -4.605 373 HD21 LEU 45 3HD2 LEU 45 13.279 21.613 -1.218 374 HD22 LEU 45 1HD2 LEU 45 13.538 22.007 -2.918 375 HD23 LEU 45 2HD2 LEU 45 13.651 20.333 -2.374 376 H LEU 46 H LEU 46 9.153 23.888 -4.703 377 HA LEU 46 HA LEU 46 8.328 26.447 -3.711 378 HB2 LEU 46 2HB LEU 46 7.249 24.523 -5.737 379 HB3 LEU 46 3HB LEU 46 6.306 25.925 -5.233 380 HG LEU 46 HG LEU 46 7.439 26.415 -7.299 381 HD11 LEU 46 1HD1 LEU 46 7.479 27.996 -5.094 382 HD12 LEU 46 2HD1 LEU 46 7.995 28.504 -6.702 383 HD13 LEU 46 3HD1 LEU 46 9.190 27.960 -5.524 384 HD21 LEU 46 3HD2 LEU 46 9.410 24.755 -6.415 385 HD22 LEU 46 1HD2 LEU 46 10.159 26.339 -6.216 386 HD23 LEU 46 2HD2 LEU 46 9.549 25.844 -7.795 387 H GLY 47 H GLY 47 6.289 23.557 -4.104 388 HA2 GLY 47 2HA GLY 47 4.857 24.329 -1.665 389 HA3 GLY 47 3HA GLY 47 4.275 23.217 -2.894 390 H LEU 48 H LEU 48 7.091 23.457 -0.714 391 HA LEU 48 HA LEU 48 7.606 20.739 -0.514 392 HB2 LEU 48 2HB LEU 48 8.730 21.288 1.620 393 HB3 LEU 48 3HB LEU 48 9.187 22.344 0.285 394 HG LEU 48 HG LEU 48 7.279 23.863 1.356 395 HD11 LEU 48 1HD1 LEU 48 7.363 23.745 3.791 396 HD12 LEU 48 2HD1 LEU 48 8.369 22.301 3.693 397 HD13 LEU 48 3HD1 LEU 48 6.708 22.259 3.102 398 HD21 LEU 48 3HD2 LEU 48 10.187 23.598 1.945 399 HD22 LEU 48 1HD2 LEU 48 9.234 24.769 2.855 400 HD23 LEU 48 2HD2 LEU 48 9.318 24.878 1.097 401 H LYS 49 H LYS 49 5.094 22.621 0.922 402 HA LYS 49 HA LYS 49 4.365 20.403 2.705 403 HB2 LYS 49 2HB LYS 49 2.613 22.391 3.324 404 HB3 LYS 49 3HB LYS 49 4.155 22.138 4.130 405 HG2 LYS 49 2HG LYS 49 5.211 23.798 2.765 406 HG3 LYS 49 3HG LYS 49 3.764 23.962 1.768 407 HD2 LYS 49 2HD LYS 49 2.823 25.384 3.210 408 HD3 LYS 49 3HD LYS 49 3.204 24.352 4.590 409 HE2 LYS 49 2HE LYS 49 4.504 26.135 5.130 410 HE3 LYS 49 3HE LYS 49 5.649 25.278 4.100 411 HZ1 LYS 49 3HZ LYS 49 5.000 27.834 3.768 412 HZ2 LYS 49 1HZ LYS 49 3.860 27.118 2.743 413 HZ3 LYS 49 2HZ LYS 49 5.510 26.834 2.501 414 H VAL 50 H VAL 50 2.372 19.415 2.587 415 HA VAL 50 HA VAL 50 0.489 20.292 0.532 416 HB VAL 50 HB VAL 50 1.977 18.666 -0.584 417 HG11 VAL 50 1HG1 VAL 50 2.078 17.372 1.783 418 HG12 VAL 50 2HG1 VAL 50 0.898 16.380 0.925 419 HG13 VAL 50 3HG1 VAL 50 2.503 16.635 0.238 420 HG21 VAL 50 3HG2 VAL 50 -0.380 17.002 -0.503 421 HG22 VAL 50 1HG2 VAL 50 -0.808 18.713 -0.546 422 HG23 VAL 50 2HG2 VAL 50 0.225 18.030 -1.802 423 H LYS 51 H LYS 51 -1.626 19.739 0.933 424 HA LYS 51 HA LYS 51 -3.446 19.272 2.219 425 HB2 LYS 51 2HB LYS 51 -1.750 16.867 2.913 426 HB3 LYS 51 3HB LYS 51 -3.459 17.024 3.296 427 HG2 LYS 51 2HG LYS 51 -2.249 16.973 0.539 428 HG3 LYS 51 3HG LYS 51 -3.149 15.669 1.317 429 HD2 LYS 51 2HD LYS 51 -4.976 16.526 0.363 430 HD3 LYS 51 3HD LYS 51 -4.837 17.858 1.513 431 HE2 LYS 51 2HE LYS 51 -3.400 19.050 -0.114 432 HE3 LYS 51 3HE LYS 51 -3.668 17.743 -1.266 433 HZ1 LYS 51 3HZ LYS 51 -6.177 18.457 -0.494 434 HZ2 LYS 51 1HZ LYS 51 -5.415 18.923 -1.931 435 HZ3 LYS 51 2HZ LYS 51 -5.369 19.941 -0.581 436 H GLY 52 H GLY 52 -1.441 20.984 3.379 437 HA2 GLY 52 2HA GLY 52 -1.409 22.127 5.410 438 HA3 GLY 52 3HA GLY 52 -2.317 20.810 6.137 439 H LYS 53 H LYS 53 -0.133 19.033 4.792 440 HA LYS 53 HA LYS 53 1.516 18.898 7.156 441 HB2 LYS 53 2HB LYS 53 1.417 17.266 4.620 442 HB3 LYS 53 3HB LYS 53 2.587 16.972 5.899 443 HG2 LYS 53 2HG LYS 53 -0.403 16.880 6.243 444 HG3 LYS 53 3HG LYS 53 0.640 15.474 6.012 445 HD2 LYS 53 2HD LYS 53 1.192 15.446 8.170 446 HD3 LYS 53 3HD LYS 53 1.629 17.156 8.139 447 HE2 LYS 53 2HE LYS 53 -0.336 17.796 9.024 448 HE3 LYS 53 3HE LYS 53 -1.256 16.632 8.072 449 HZ1 LYS 53 3HZ LYS 53 -0.651 16.475 10.757 450 HZ2 LYS 53 1HZ LYS 53 0.325 15.308 10.017 451 HZ3 LYS 53 2HZ LYS 53 -1.352 15.270 9.799 452 HA PRO 54 HA PRO 54 4.939 21.254 5.726 453 HB2 PRO 54 2HB PRO 54 6.959 20.027 7.063 454 HB3 PRO 54 3HB PRO 54 5.779 21.075 7.858 455 HG2 PRO 54 2HG PRO 54 5.863 18.086 7.715 456 HG3 PRO 54 3HG PRO 54 5.494 19.130 9.100 457 HD2 PRO 54 2HD PRO 54 3.567 17.903 7.646 458 HD3 PRO 54 3HD PRO 54 3.322 19.485 8.414 459 H ALA 55 H ALA 55 5.215 17.729 5.578 460 HA ALA 55 HA ALA 55 6.509 16.365 4.246 461 HB1 ALA 55 1HB ALA 55 6.131 17.090 1.747 462 HB2 ALA 55 2HB ALA 55 4.799 16.477 2.727 463 HB3 ALA 55 3HB ALA 55 4.985 18.213 2.478 464 H GLU 56 H GLU 56 8.115 18.352 5.420 465 HA GLU 56 HA GLU 56 9.735 19.705 3.531 466 HB2 GLU 56 2HB GLU 56 9.649 20.436 5.842 467 HB3 GLU 56 3HB GLU 56 10.293 18.894 6.387 468 HG2 GLU 56 2HG GLU 56 12.339 19.703 6.233 469 HG3 GLU 56 3HG GLU 56 12.114 19.934 4.500 470 H ASN 57 H ASN 57 10.906 17.165 5.721 471 HA ASN 57 HA ASN 57 11.947 15.605 3.521 472 HB2 ASN 57 2HB ASN 57 14.286 15.720 4.760 473 HB3 ASN 57 3HB ASN 57 13.847 16.904 3.533 474 HD21 ASN 57 1HD2 ASN 57 14.686 18.765 4.145 475 HD22 ASN 57 2HD2 ASN 57 14.540 19.473 5.714 476 H ASP 58 H ASP 58 11.753 16.156 6.997 477 HA ASP 58 HA ASP 58 12.462 13.486 7.721 478 HB2 ASP 58 2HB ASP 58 12.749 15.399 9.257 479 HB3 ASP 58 3HB ASP 58 10.999 15.589 9.331 480 H VAL 59 H VAL 59 9.820 14.627 6.158 481 HA VAL 59 HA VAL 59 7.868 12.916 7.489 482 HB VAL 59 HB VAL 59 7.176 14.324 4.969 483 HG11 VAL 59 1HG1 VAL 59 5.125 14.826 6.335 484 HG12 VAL 59 2HG1 VAL 59 5.443 13.113 6.056 485 HG13 VAL 59 3HG1 VAL 59 5.827 13.840 7.617 486 HG21 VAL 59 3HG2 VAL 59 8.354 16.128 5.821 487 HG22 VAL 59 1HG2 VAL 59 6.736 16.394 6.470 488 HG23 VAL 59 2HG2 VAL 59 7.994 15.703 7.495 489 H LYS 60 H LYS 60 6.800 11.206 6.470 490 HA LYS 60 HA LYS 60 8.378 9.885 4.408 491 HB2 LYS 60 2HB LYS 60 6.127 8.962 6.191 492 HB3 LYS 60 3HB LYS 60 6.775 7.967 4.893 493 HG2 LYS 60 2HG LYS 60 9.061 8.511 6.108 494 HG3 LYS 60 3HG LYS 60 7.985 8.728 7.491 495 HD2 LYS 60 2HD LYS 60 7.052 6.400 6.412 496 HD3 LYS 60 3HD LYS 60 8.782 6.283 6.084 497 HE2 LYS 60 2HE LYS 60 9.125 6.898 8.528 498 HE3 LYS 60 3HE LYS 60 7.401 6.598 8.737 499 HZ1 LYS 60 3HZ LYS 60 9.497 4.667 7.936 500 HZ2 LYS 60 1HZ LYS 60 7.848 4.344 7.745 501 HZ3 LYS 60 2HZ LYS 60 8.484 4.606 9.290 502 H LEU 61 H LEU 61 7.543 9.166 2.440 503 HA LEU 61 HA LEU 61 5.869 10.864 1.049 504 HB2 LEU 61 2HB LEU 61 6.119 7.944 0.394 505 HB3 LEU 61 3HB LEU 61 5.895 9.298 -0.712 506 HG LEU 61 HG LEU 61 8.406 8.700 0.852 507 HD11 LEU 61 1HD1 LEU 61 9.367 8.002 -1.210 508 HD12 LEU 61 2HD1 LEU 61 7.932 8.486 -2.113 509 HD13 LEU 61 3HD1 LEU 61 7.856 7.115 -1.006 510 HD21 LEU 61 3HD2 LEU 61 9.177 10.429 -1.025 511 HD22 LEU 61 1HD2 LEU 61 8.625 10.940 0.570 512 HD23 LEU 61 2HD2 LEU 61 7.519 10.990 -0.803 513 H GLY 62 H GLY 62 5.068 7.905 2.804 514 HA2 GLY 62 2HA GLY 62 2.324 7.887 1.968 515 HA3 GLY 62 3HA GLY 62 3.033 6.903 3.240 516 H ALA 63 H ALA 63 4.068 9.610 4.348 517 HA ALA 63 HA ALA 63 1.800 10.008 6.103 518 HB1 ALA 63 1HB ALA 63 4.084 9.882 7.005 519 HB2 ALA 63 2HB ALA 63 4.500 11.352 6.122 520 HB3 ALA 63 3HB ALA 63 3.292 11.406 7.406 521 H LEU 64 H LEU 64 3.112 11.470 3.300 522 HA LEU 64 HA LEU 64 1.966 14.080 3.788 523 HB2 LEU 64 2HB LEU 64 2.789 13.337 1.057 524 HB3 LEU 64 3HB LEU 64 3.139 14.789 1.992 525 HG LEU 64 HG LEU 64 4.524 12.128 2.323 526 HD11 LEU 64 1HD1 LEU 64 5.760 14.627 1.232 527 HD12 LEU 64 2HD1 LEU 64 4.907 13.502 0.175 528 HD13 LEU 64 3HD1 LEU 64 6.310 12.957 1.094 529 HD21 LEU 64 3HD2 LEU 64 4.284 13.760 4.313 530 HD22 LEU 64 1HD2 LEU 64 5.439 14.756 3.428 531 HD23 LEU 64 2HD2 LEU 64 5.881 13.121 3.921 532 H LYS 65 H LYS 65 0.970 11.096 2.438 533 HA LYS 65 HA LYS 65 -0.900 10.411 1.331 534 HB2 LYS 65 2HB LYS 65 -2.182 12.880 2.503 535 HB3 LYS 65 3HB LYS 65 -2.975 11.378 2.045 536 HG2 LYS 65 2HG LYS 65 -0.979 11.683 4.280 537 HG3 LYS 65 3HG LYS 65 -2.732 11.601 4.469 538 HD2 LYS 65 2HD LYS 65 -2.732 9.359 3.488 539 HD3 LYS 65 3HD LYS 65 -0.980 9.444 3.289 540 HE2 LYS 65 2HE LYS 65 -1.258 8.228 5.258 541 HE3 LYS 65 3HE LYS 65 -0.916 9.863 5.820 542 HZ1 LYS 65 3HZ LYS 65 -3.546 8.502 5.713 543 HZ2 LYS 65 1HZ LYS 65 -3.383 10.166 5.974 544 HZ3 LYS 65 2HZ LYS 65 -2.727 9.068 7.081 545 H LEU 66 H LEU 66 0.835 11.823 -0.286 546 HA LEU 66 HA LEU 66 -0.813 13.661 -1.853 547 HB2 LEU 66 2HB LEU 66 2.022 13.293 -1.392 548 HB3 LEU 66 3HB LEU 66 1.651 13.390 -3.112 549 HG LEU 66 HG LEU 66 0.921 15.462 -1.043 550 HD11 LEU 66 1HD1 LEU 66 2.597 16.820 -2.384 551 HD12 LEU 66 2HD1 LEU 66 3.149 15.283 -3.049 552 HD13 LEU 66 3HD1 LEU 66 3.252 15.581 -1.314 553 HD21 LEU 66 3HD2 LEU 66 0.829 16.500 -3.646 554 HD22 LEU 66 1HD2 LEU 66 -0.524 16.209 -2.552 555 HD23 LEU 66 2HD2 LEU 66 -0.035 14.963 -3.702 556 H LYS 67 H LYS 67 -1.098 13.389 -4.118 557 HA LYS 67 HA LYS 67 -1.712 10.726 -4.883 558 HB2 LYS 67 2HB LYS 67 -1.883 13.413 -6.122 559 HB3 LYS 67 3HB LYS 67 -1.817 12.049 -7.231 560 HG2 LYS 67 2HG LYS 67 -4.110 12.659 -6.763 561 HG3 LYS 67 3HG LYS 67 -3.756 11.054 -6.119 562 HD2 LYS 67 2HD LYS 67 -3.221 13.158 -4.190 563 HD3 LYS 67 3HD LYS 67 -4.898 13.168 -4.741 564 HE2 LYS 67 2HE LYS 67 -4.768 10.605 -4.319 565 HE3 LYS 67 3HE LYS 67 -3.380 11.020 -3.315 566 HZ1 LYS 67 3HZ LYS 67 -4.740 12.397 -1.956 567 HZ2 LYS 67 1HZ LYS 67 -5.526 10.906 -2.103 568 HZ3 LYS 67 2HZ LYS 67 -6.066 12.238 -2.995 569 HA PRO 68 HA PRO 68 1.960 9.298 -6.815 570 HB2 PRO 68 2HB PRO 68 0.999 7.985 -8.988 571 HB3 PRO 68 3HB PRO 68 0.821 7.373 -7.340 572 HG2 PRO 68 2HG PRO 68 -1.155 8.849 -9.037 573 HG3 PRO 68 3HG PRO 68 -1.410 7.440 -7.991 574 HD2 PRO 68 2HD PRO 68 -2.064 9.955 -7.231 575 HD3 PRO 68 3HD PRO 68 -1.518 8.721 -6.078 576 H ASN 69 H ASN 69 -0.322 10.930 -8.978 577 HA ASN 69 HA ASN 69 1.679 11.492 -10.964 578 HB2 ASN 69 2HB ASN 69 -1.130 12.562 -10.616 579 HB3 ASN 69 3HB ASN 69 -0.108 12.857 -12.019 580 HD21 ASN 69 1HD2 ASN 69 -2.667 11.210 -11.181 581 HD22 ASN 69 2HD2 ASN 69 -2.457 9.752 -12.085 582 H THR 70 H THR 70 0.742 12.891 -8.019 583 HA THR 70 HA THR 70 0.860 15.539 -8.106 584 HB THR 70 HB THR 70 2.563 13.824 -6.290 585 HG1 THR 70 HG1 THR 70 0.011 15.054 -5.944 586 HG21 THR 70 3HG2 THR 70 2.354 15.890 -4.778 587 HG22 THR 70 1HG2 THR 70 1.970 16.770 -6.256 588 HG23 THR 70 2HG2 THR 70 3.525 15.954 -6.094 589 H LYS 71 H LYS 71 2.057 17.070 -9.016 590 HA LYS 71 HA LYS 71 4.678 16.362 -10.099 591 HB2 LYS 71 2HB LYS 71 3.192 18.948 -10.534 592 HB3 LYS 71 3HB LYS 71 4.472 18.254 -11.521 593 HG2 LYS 71 2HG LYS 71 2.865 17.469 -12.833 594 HG3 LYS 71 3HG LYS 71 2.502 16.316 -11.546 595 HD2 LYS 71 2HD LYS 71 0.881 17.871 -10.597 596 HD3 LYS 71 3HD LYS 71 1.265 19.054 -11.849 597 HE2 LYS 71 2HE LYS 71 0.380 16.309 -12.626 598 HE3 LYS 71 3HE LYS 71 -0.816 17.492 -12.098 599 HZ1 LYS 71 3HZ LYS 71 0.953 18.654 -13.975 600 HZ2 LYS 71 1HZ LYS 71 -0.727 18.474 -14.066 601 HZ3 LYS 71 2HZ LYS 71 0.288 17.238 -14.618 602 H ILE 72 H ILE 72 6.553 17.517 -9.651 603 HA ILE 72 HA ILE 72 6.418 19.218 -7.248 604 HB ILE 72 HB ILE 72 8.719 17.489 -8.164 605 HG12 ILE 72 2HG1 ILE 72 6.895 16.131 -7.302 606 HG13 ILE 72 3HG1 ILE 72 8.209 16.164 -6.132 607 HG21 ILE 72 1HG2 ILE 72 8.375 19.230 -5.728 608 HG22 ILE 72 2HG2 ILE 72 9.684 18.071 -5.953 609 HG23 ILE 72 3HG2 ILE 72 9.533 19.451 -7.040 610 HD11 ILE 72 3HD1 ILE 72 5.551 17.530 -6.005 611 HD12 ILE 72 1HD1 ILE 72 6.280 16.408 -4.857 612 HD13 ILE 72 2HD1 ILE 72 6.907 18.050 -5.006 613 H MET 73 H MET 73 7.157 21.241 -7.390 614 HA MET 73 HA MET 73 8.464 22.051 -9.889 615 HB2 MET 73 2HB MET 73 7.148 23.772 -7.780 616 HB3 MET 73 3HB MET 73 7.758 24.320 -9.336 617 HG2 MET 73 2HG MET 73 6.030 23.346 -10.510 618 HG3 MET 73 3HG MET 73 5.673 22.192 -9.227 619 HE1 MET 73 3HE MET 73 5.211 25.237 -10.939 620 HE2 MET 73 1HE MET 73 3.466 25.091 -10.725 621 HE3 MET 73 2HE MET 73 4.346 26.392 -9.923 622 H MET 74 H MET 74 10.406 23.126 -9.919 623 HA MET 74 HA MET 74 11.761 23.533 -7.343 624 HB2 MET 74 2HB MET 74 12.862 22.126 -9.776 625 HB3 MET 74 3HB MET 74 13.873 22.712 -8.461 626 HG2 MET 74 2HG MET 74 12.629 21.270 -6.900 627 HG3 MET 74 3HG MET 74 11.696 20.645 -8.258 628 HE1 MET 74 3HE MET 74 12.518 19.634 -10.175 629 HE2 MET 74 1HE MET 74 14.215 19.796 -10.628 630 HE3 MET 74 2HE MET 74 13.606 18.253 -10.030 631 H MET 75 H MET 75 12.591 25.505 -7.147 632 HA MET 75 HA MET 75 13.062 27.066 -9.602 633 HB2 MET 75 2HB MET 75 12.226 28.013 -6.856 634 HB3 MET 75 3HB MET 75 12.639 29.078 -8.192 635 HG2 MET 75 2HG MET 75 10.629 27.107 -8.907 636 HG3 MET 75 3HG MET 75 10.134 28.143 -7.571 637 HE1 MET 75 3HE MET 75 11.281 27.948 -11.279 638 HE2 MET 75 1HE MET 75 11.331 29.643 -11.765 639 HE3 MET 75 2HE MET 75 12.520 29.018 -10.621 640 H GLY 76 H GLY 76 15.063 27.793 -9.967 641 HA2 GLY 76 2HA GLY 76 16.918 28.925 -8.441 642 HA3 GLY 76 3HA GLY 76 17.113 27.244 -7.968 643 H THR 77 H THR 77 19.231 27.189 -8.780 644 HA THR 77 HA THR 77 19.355 26.969 -11.709 645 HB THR 77 HB THR 77 20.426 29.046 -11.330 646 HG1 THR 77 HG1 THR 77 21.729 27.912 -12.686 647 HG21 THR 77 3HG2 THR 77 21.125 29.551 -9.273 648 HG22 THR 77 1HG2 THR 77 22.559 28.571 -9.581 649 HG23 THR 77 2HG2 THR 77 21.148 27.850 -8.806 650 H ARG 78 H ARG 78 20.381 25.202 -12.459 651 HA ARG 78 HA ARG 78 21.390 23.302 -10.492 652 HB2 ARG 78 2HB ARG 78 21.228 21.649 -12.235 653 HB3 ARG 78 3HB ARG 78 19.742 22.589 -12.215 654 HG2 ARG 78 2HG ARG 78 21.646 23.764 -14.019 655 HG3 ARG 78 3HG ARG 78 21.392 22.059 -14.401 656 HD2 ARG 78 2HD ARG 78 18.844 22.941 -13.926 657 HD3 ARG 78 3HD ARG 78 19.590 24.344 -14.690 658 HE ARG 78 HE ARG 78 20.051 21.849 -16.061 659 HH11 ARG 78 1HH1 ARG 78 17.965 24.615 -15.715 660 HH12 ARG 78 2HH1 ARG 78 17.283 24.462 -17.300 661 HH21 ARG 78 1HH2 ARG 78 19.160 21.638 -18.150 662 HH22 ARG 78 2HH2 ARG 78 17.963 22.768 -18.684 663 H GLU 79 H GLU 79 23.429 22.316 -10.632 664 HA GLU 79 HA GLU 79 25.564 24.006 -11.288 665 HB2 GLU 79 2HB GLU 79 27.004 22.204 -10.694 666 HB3 GLU 79 3HB GLU 79 25.602 22.106 -9.638 667 HG2 GLU 79 2HG GLU 79 24.677 20.316 -10.966 668 HG3 GLU 79 3HG GLU 79 26.001 20.454 -12.121 669 H GLU 80 H GLU 80 27.473 22.770 -12.649 670 HA GLU 80 HA GLU 80 26.376 22.646 -15.363 671 HB2 GLU 80 2HB GLU 80 28.978 23.466 -14.189 672 HB3 GLU 80 3HB GLU 80 29.023 22.731 -15.785 673 HG2 GLU 80 2HG GLU 80 27.119 24.466 -16.285 674 HG3 GLU 80 3HG GLU 80 27.837 25.314 -14.918 675 H SER 81 H SER 81 25.650 20.504 -15.365 676 HA SER 81 HA SER 81 27.761 18.548 -15.803 677 HB2 SER 81 2HB SER 81 26.198 18.612 -13.394 678 HB3 SER 81 3HB SER 81 25.797 17.159 -14.309 679 HG SER 81 HG SER 81 27.578 16.811 -12.931 680 HN1 NH2 90 H1 NH2 90 25.413 16.588 -17.678 Start of MODEL 17 1 H1 MET 1 H MET 1 2.629 0.423 0.808 2 HA MET 1 HA MET 1 3.482 -0.849 -1.199 3 HB2 MET 1 2HB MET 1 0.777 -0.146 -1.961 4 HB3 MET 1 3HB MET 1 1.935 0.394 -3.170 5 HG2 MET 1 2HG MET 1 2.570 -1.729 -3.717 6 HG3 MET 1 3HG MET 1 2.167 -2.377 -2.129 7 HE1 MET 1 3HE MET 1 1.297 -4.318 -2.855 8 HE2 MET 1 1HE MET 1 -0.260 -4.070 -2.064 9 HE3 MET 1 2HE MET 1 -0.200 -4.619 -3.739 10 H ALA 2 H ALA 2 4.249 0.442 -3.275 11 HA ALA 2 HA ALA 2 5.531 2.810 -2.256 12 HB1 ALA 2 1HB ALA 2 6.206 2.684 -4.908 13 HB2 ALA 2 2HB ALA 2 7.085 1.911 -3.589 14 HB3 ALA 2 3HB ALA 2 5.894 0.994 -4.511 15 H LEU 3 H LEU 3 5.139 4.901 -2.774 16 HA LEU 3 HA LEU 3 2.774 5.423 -4.442 17 HB2 LEU 3 2HB LEU 3 2.139 6.504 -2.592 18 HB3 LEU 3 3HB LEU 3 3.774 6.521 -1.934 19 HG LEU 3 HG LEU 3 4.265 8.490 -3.382 20 HD11 LEU 3 1HD1 LEU 3 1.304 8.718 -3.790 21 HD12 LEU 3 2HD1 LEU 3 2.338 7.909 -4.966 22 HD13 LEU 3 3HD1 LEU 3 2.606 9.608 -4.580 23 HD21 LEU 3 3HD2 LEU 3 3.291 8.463 -0.938 24 HD22 LEU 3 1HD2 LEU 3 1.896 9.203 -1.725 25 HD23 LEU 3 2HD2 LEU 3 3.479 9.975 -1.826 26 HA PRO 4 HA PRO 4 5.793 7.066 -7.324 27 HB2 PRO 4 2HB PRO 4 4.000 7.511 -9.313 28 HB3 PRO 4 3HB PRO 4 4.663 5.911 -8.958 29 HG2 PRO 4 2HG PRO 4 2.031 7.092 -8.156 30 HG3 PRO 4 3HG PRO 4 2.390 5.462 -8.756 31 HD2 PRO 4 2HD PRO 4 2.020 6.000 -6.128 32 HD3 PRO 4 3HD PRO 4 3.124 4.730 -6.697 33 H ILE 5 H ILE 5 6.206 9.111 -8.265 34 HA ILE 5 HA ILE 5 4.331 11.278 -7.776 35 HB ILE 5 HB ILE 5 7.106 11.319 -6.582 36 HG12 ILE 5 2HG1 ILE 5 4.363 11.186 -5.317 37 HG13 ILE 5 3HG1 ILE 5 5.634 9.972 -5.223 38 HG21 ILE 5 1HG2 ILE 5 4.939 13.412 -6.475 39 HG22 ILE 5 2HG2 ILE 5 6.542 13.516 -5.750 40 HG23 ILE 5 3HG2 ILE 5 6.368 13.486 -7.505 41 HD11 ILE 5 3HD1 ILE 5 6.815 12.278 -4.245 42 HD12 ILE 5 1HD1 ILE 5 5.179 12.302 -3.587 43 HD13 ILE 5 2HD1 ILE 5 6.223 10.908 -3.306 44 H ILE 6 H ILE 6 4.467 12.839 -9.287 45 HA ILE 6 HA ILE 6 6.506 12.526 -11.354 46 HB ILE 6 HB ILE 6 3.872 13.966 -11.263 47 HG12 ILE 6 2HG1 ILE 6 4.613 12.283 -13.556 48 HG13 ILE 6 3HG1 ILE 6 4.565 11.424 -12.020 49 HG21 ILE 6 1HG2 ILE 6 4.405 14.700 -13.617 50 HG22 ILE 6 2HG2 ILE 6 5.263 15.552 -12.335 51 HG23 ILE 6 3HG2 ILE 6 6.088 14.305 -13.269 52 HD11 ILE 6 3HD1 ILE 6 2.255 13.085 -12.251 53 HD12 ILE 6 1HD1 ILE 6 2.422 12.092 -13.698 54 HD13 ILE 6 2HD1 ILE 6 2.362 11.331 -12.108 55 H VAL 7 H VAL 7 7.952 14.094 -11.929 56 HA VAL 7 HA VAL 7 7.977 16.553 -10.307 57 HB VAL 7 HB VAL 7 9.698 15.048 -9.456 58 HG11 VAL 7 1HG1 VAL 7 11.005 13.774 -10.738 59 HG12 VAL 7 2HG1 VAL 7 9.961 14.239 -12.082 60 HG13 VAL 7 3HG1 VAL 7 11.451 15.131 -11.771 61 HG21 VAL 7 3HG2 VAL 7 10.783 16.948 -9.058 62 HG22 VAL 7 1HG2 VAL 7 11.660 16.706 -10.569 63 HG23 VAL 7 2HG2 VAL 7 10.179 17.664 -10.552 64 H LYS 8 H LYS 8 7.937 18.336 -11.493 65 HA LYS 8 HA LYS 8 8.760 18.170 -14.313 66 HB2 LYS 8 2HB LYS 8 7.316 20.109 -14.696 67 HB3 LYS 8 3HB LYS 8 6.415 18.785 -13.968 68 HG2 LYS 8 2HG LYS 8 7.059 20.066 -11.740 69 HG3 LYS 8 3HG LYS 8 7.135 21.434 -12.853 70 HD2 LYS 8 2HD LYS 8 4.776 19.568 -12.704 71 HD3 LYS 8 3HD LYS 8 4.903 21.036 -11.732 72 HE2 LYS 8 2HE LYS 8 5.455 21.465 -14.566 73 HE3 LYS 8 3HE LYS 8 3.828 20.862 -14.255 74 HZ1 LYS 8 3HZ LYS 8 5.082 23.354 -13.290 75 HZ2 LYS 8 1HZ LYS 8 3.742 22.692 -12.498 76 HZ3 LYS 8 2HZ LYS 8 3.621 23.156 -14.120 77 H TRP 9 H TRP 9 10.636 19.071 -14.810 78 HA TRP 9 HA TRP 9 11.539 21.398 -13.243 79 HB2 TRP 9 2HB TRP 9 13.058 19.781 -12.562 80 HB3 TRP 9 3HB TRP 9 13.030 18.953 -14.116 81 HD1 TRP 9 HD1 TRP 9 15.205 19.233 -15.415 82 HE1 TRP 9 HE1 TRP 9 17.052 21.018 -15.578 83 HE3 TRP 9 HE3 TRP 9 13.271 22.698 -12.192 84 HZ2 TRP 9 HZ2 TRP 9 17.615 23.558 -14.484 85 HZ3 TRP 9 HZ3 TRP 9 14.527 24.779 -11.805 86 HH2 TRP 9 HH2 TRP 9 16.654 25.198 -12.927 87 H GLY 10 H GLY 10 11.209 23.094 -14.552 88 HA2 GLY 10 2HA GLY 10 12.005 24.499 -16.278 89 HA3 GLY 10 3HA GLY 10 12.560 23.076 -17.148 90 H GLY 11 H GLY 11 10.959 21.742 -18.217 91 HA2 GLY 11 2HA GLY 11 8.298 22.861 -18.550 92 HA3 GLY 11 3HA GLY 11 9.328 22.937 -19.972 93 H GLN 12 H GLN 12 9.795 20.275 -17.849 94 HA GLN 12 HA GLN 12 8.182 18.548 -19.602 95 HB2 GLN 12 2HB GLN 12 11.044 18.203 -18.746 96 HB3 GLN 12 3HB GLN 12 10.061 16.824 -19.220 97 HG2 GLN 12 2HG GLN 12 9.678 18.665 -21.254 98 HG3 GLN 12 3HG GLN 12 11.389 18.801 -20.854 99 HE21 GLN 12 1HE2 GLN 12 9.335 17.324 -22.857 100 HE22 GLN 12 2HE2 GLN 12 10.193 15.858 -23.168 101 H GLU 13 H GLU 13 8.126 16.230 -18.559 102 HA GLU 13 HA GLU 13 7.770 16.484 -15.653 103 HB2 GLU 13 2HB GLU 13 5.805 15.267 -17.601 104 HB3 GLU 13 3HB GLU 13 5.693 15.114 -15.853 105 HG2 GLU 13 2HG GLU 13 5.435 17.512 -15.631 106 HG3 GLU 13 3HG GLU 13 5.624 17.711 -17.373 107 H TYR 14 H TYR 14 8.291 14.701 -14.456 108 HA TYR 14 HA TYR 14 9.058 12.258 -15.891 109 HB2 TYR 14 2HB TYR 14 10.756 13.663 -13.818 110 HB3 TYR 14 3HB TYR 14 11.106 12.086 -14.518 111 HD1 TYR 14 HD1 TYR 14 10.690 15.677 -15.372 112 HD2 TYR 14 HD2 TYR 14 12.290 11.911 -16.537 113 HE1 TYR 14 HE1 TYR 14 11.916 16.771 -17.203 114 HE2 TYR 14 HE2 TYR 14 13.521 12.994 -18.370 115 HH TYR 14 HH TYR 14 13.167 15.215 -19.764 116 H SER 15 H SER 15 7.943 10.631 -15.068 117 HA SER 15 HA SER 15 6.769 10.811 -12.433 118 HB2 SER 15 2HB SER 15 5.889 8.482 -13.081 119 HB3 SER 15 3HB SER 15 5.328 9.853 -14.038 120 HG SER 15 HG SER 15 7.248 7.895 -14.712 121 H VAL 16 H VAL 16 7.485 9.876 -10.621 122 HA VAL 16 HA VAL 16 9.987 8.379 -10.743 123 HB VAL 16 HB VAL 16 8.478 9.503 -8.379 124 HG11 VAL 16 1HG1 VAL 16 9.627 7.778 -7.395 125 HG12 VAL 16 2HG1 VAL 16 10.929 7.820 -8.586 126 HG13 VAL 16 3HG1 VAL 16 10.841 9.054 -7.329 127 HG21 VAL 16 3HG2 VAL 16 10.850 10.799 -8.454 128 HG22 VAL 16 1HG2 VAL 16 10.561 10.548 -10.175 129 HG23 VAL 16 2HG2 VAL 16 9.370 11.405 -9.197 130 H THR 17 H THR 17 10.200 6.273 -10.231 131 HA THR 17 HA THR 17 7.983 4.858 -8.960 132 HB THR 17 HB THR 17 8.376 2.988 -10.733 133 HG1 THR 17 HG1 THR 17 9.507 3.563 -12.422 134 HG21 THR 17 3HG2 THR 17 6.336 3.547 -11.471 135 HG22 THR 17 1HG2 THR 17 6.898 5.093 -12.107 136 HG23 THR 17 2HG2 THR 17 6.460 4.946 -10.405 137 H THR 18 H THR 18 9.276 4.492 -7.170 138 HA THR 18 HA THR 18 10.776 2.177 -7.063 139 HB THR 18 HB THR 18 12.544 3.037 -8.338 140 HG1 THR 18 HG1 THR 18 13.540 2.184 -6.594 141 HG21 THR 18 3HG2 THR 18 12.473 5.254 -8.701 142 HG22 THR 18 1HG2 THR 18 13.503 5.370 -7.275 143 HG23 THR 18 2HG2 THR 18 11.759 5.583 -7.123 144 H LEU 19 H LEU 19 10.151 5.362 -5.802 145 HA LEU 19 HA LEU 19 11.068 4.687 -3.137 146 HB2 LEU 19 2HB LEU 19 10.280 7.091 -4.572 147 HB3 LEU 19 3HB LEU 19 9.615 7.027 -2.941 148 HG LEU 19 HG LEU 19 11.763 8.266 -3.123 149 HD11 LEU 19 1HD1 LEU 19 12.870 7.032 -1.221 150 HD12 LEU 19 2HD1 LEU 19 11.613 5.809 -1.397 151 HD13 LEU 19 3HD1 LEU 19 11.178 7.466 -0.978 152 HD21 LEU 19 3HD2 LEU 19 12.903 5.537 -3.716 153 HD22 LEU 19 1HD2 LEU 19 13.829 7.008 -3.415 154 HD23 LEU 19 2HD2 LEU 19 12.810 6.886 -4.849 155 H SER 20 H SER 20 9.725 4.596 -1.291 156 HA SER 20 HA SER 20 6.862 4.188 -1.821 157 HB2 SER 20 2HB SER 20 7.484 2.410 0.240 158 HB3 SER 20 3HB SER 20 7.118 1.991 -1.433 159 HG SER 20 HG SER 20 9.389 1.639 -0.147 160 H GLU 21 H GLU 21 5.541 4.244 0.185 161 HA GLU 21 HA GLU 21 5.948 6.589 1.618 162 HB2 GLU 21 2HB GLU 21 4.324 4.201 2.511 163 HB3 GLU 21 3HB GLU 21 4.132 5.859 3.062 164 HG2 GLU 21 2HG GLU 21 3.378 6.557 0.900 165 HG3 GLU 21 3HG GLU 21 3.737 4.973 0.215 166 H ASP 22 H ASP 22 7.219 3.427 2.140 167 HA ASP 22 HA ASP 22 7.794 3.629 4.903 168 HB2 ASP 22 2HB ASP 22 7.783 1.503 3.575 169 HB3 ASP 22 3HB ASP 22 9.299 2.014 2.838 170 H ASP 23 H ASP 23 9.104 5.202 2.215 171 HA ASP 23 HA ASP 23 11.672 5.699 3.533 172 HB2 ASP 23 2HB ASP 23 10.832 6.681 0.806 173 HB3 ASP 23 3HB ASP 23 12.466 6.519 1.447 174 H THR 24 H THR 24 11.942 8.250 2.049 175 HA THR 24 HA THR 24 10.076 9.942 3.567 176 HB THR 24 HB THR 24 12.421 11.418 3.513 177 HG1 THR 24 HG1 THR 24 13.786 9.747 3.118 178 HG21 THR 24 3HG2 THR 24 10.921 9.882 5.581 179 HG22 THR 24 1HG2 THR 24 11.170 11.621 5.430 180 HG23 THR 24 2HG2 THR 24 12.476 10.591 6.017 181 H VAL 25 H VAL 25 10.352 12.319 2.826 182 HA VAL 25 HA VAL 25 9.762 12.417 0.052 183 HB VAL 25 HB VAL 25 10.430 14.799 1.772 184 HG11 VAL 25 1HG1 VAL 25 8.322 15.445 0.150 185 HG12 VAL 25 2HG1 VAL 25 10.016 15.811 -0.182 186 HG13 VAL 25 3HG1 VAL 25 9.271 14.370 -0.876 187 HG21 VAL 25 3HG2 VAL 25 8.112 12.965 1.877 188 HG22 VAL 25 1HG2 VAL 25 8.827 13.966 3.141 189 HG23 VAL 25 2HG2 VAL 25 7.759 14.692 1.939 190 H LEU 26 H LEU 26 12.562 13.438 1.971 191 HA LEU 26 HA LEU 26 14.017 14.648 -0.094 192 HB2 LEU 26 2HB LEU 26 15.664 14.876 1.427 193 HB3 LEU 26 3HB LEU 26 14.380 14.411 2.541 194 HG LEU 26 HG LEU 26 15.331 11.987 2.047 195 HD11 LEU 26 1HD1 LEU 26 17.509 11.833 1.401 196 HD12 LEU 26 2HD1 LEU 26 17.914 13.448 1.981 197 HD13 LEU 26 3HD1 LEU 26 17.032 13.251 0.466 198 HD21 LEU 26 3HD2 LEU 26 15.175 13.246 4.222 199 HD22 LEU 26 1HD2 LEU 26 16.799 13.851 3.898 200 HD23 LEU 26 2HD2 LEU 26 16.526 12.120 4.092 201 H ASP 27 H ASP 27 13.555 11.305 0.750 202 HA ASP 27 HA ASP 27 15.753 10.256 -0.718 203 HB2 ASP 27 2HB ASP 27 14.297 9.136 1.129 204 HB3 ASP 27 3HB ASP 27 13.230 8.710 -0.206 205 H LEU 28 H LEU 28 12.411 11.003 -1.502 206 HA LEU 28 HA LEU 28 12.548 9.788 -4.112 207 HB2 LEU 28 2HB LEU 28 10.482 10.144 -2.584 208 HB3 LEU 28 3HB LEU 28 10.466 11.767 -3.272 209 HG LEU 28 HG LEU 28 10.585 9.612 -5.259 210 HD11 LEU 28 1HD1 LEU 28 8.578 8.601 -4.906 211 HD12 LEU 28 2HD1 LEU 28 7.909 9.977 -4.030 212 HD13 LEU 28 3HD1 LEU 28 9.044 8.890 -3.229 213 HD21 LEU 28 3HD2 LEU 28 8.450 11.665 -5.152 214 HD22 LEU 28 1HD2 LEU 28 9.402 11.086 -6.519 215 HD23 LEU 28 2HD2 LEU 28 10.108 12.226 -5.373 216 H LYS 29 H LYS 29 12.461 13.102 -2.837 217 HA LYS 29 HA LYS 29 12.594 14.422 -5.313 218 HB2 LYS 29 2HB LYS 29 12.997 15.139 -2.480 219 HB3 LYS 29 3HB LYS 29 13.837 16.165 -3.635 220 HG2 LYS 29 2HG LYS 29 11.902 17.306 -3.605 221 HG3 LYS 29 3HG LYS 29 11.408 16.084 -4.779 222 HD2 LYS 29 2HD LYS 29 11.049 15.414 -1.916 223 HD3 LYS 29 3HD LYS 29 9.986 16.655 -2.584 224 HE2 LYS 29 2HE LYS 29 10.175 14.455 -4.411 225 HE3 LYS 29 3HE LYS 29 9.746 13.858 -2.809 226 HZ1 LYS 29 3HZ LYS 29 7.924 14.682 -4.472 227 HZ2 LYS 29 1HZ LYS 29 8.327 16.202 -3.847 228 HZ3 LYS 29 2HZ LYS 29 7.779 14.981 -2.813 229 H GLN 30 H GLN 30 15.207 13.801 -2.963 230 HA GLN 30 HA GLN 30 17.307 14.734 -4.542 231 HB2 GLN 30 2HB GLN 30 18.723 13.869 -2.942 232 HB3 GLN 30 3HB GLN 30 17.220 13.971 -2.035 233 HG2 GLN 30 2HG GLN 30 17.785 11.865 -1.473 234 HG3 GLN 30 3HG GLN 30 16.956 11.498 -2.985 235 HE21 GLN 30 1HE2 GLN 30 18.210 9.569 -3.067 236 HE22 GLN 30 2HE2 GLN 30 19.844 9.610 -3.626 237 H PHE 31 H PHE 31 15.478 11.829 -4.756 238 HA PHE 31 HA PHE 31 17.433 10.323 -6.222 239 HB2 PHE 31 2HB PHE 31 15.818 9.075 -4.977 240 HB3 PHE 31 3HB PHE 31 14.479 9.928 -5.739 241 HD1 PHE 31 HD2 PHE 31 17.103 7.404 -6.237 242 HD2 PHE 31 HD1 PHE 31 13.650 9.278 -7.873 243 HE1 PHE 31 HE2 PHE 31 16.966 5.645 -7.952 244 HE2 PHE 31 HE1 PHE 31 13.506 7.522 -9.590 245 HZ PHE 31 HZ PHE 31 15.166 5.703 -9.633 246 H LEU 32 H LEU 32 14.333 11.842 -7.115 247 HA LEU 32 HA LEU 32 14.675 11.440 -9.898 248 HB2 LEU 32 2HB LEU 32 12.845 13.145 -10.092 249 HB3 LEU 32 3HB LEU 32 12.474 11.736 -9.100 250 HG LEU 32 HG LEU 32 13.316 13.436 -7.190 251 HD11 LEU 32 1HD1 LEU 32 12.723 15.068 -9.534 252 HD12 LEU 32 2HD1 LEU 32 13.573 15.482 -8.046 253 HD13 LEU 32 3HD1 LEU 32 11.811 15.534 -8.098 254 HD21 LEU 32 3HD2 LEU 32 11.249 12.211 -7.106 255 HD22 LEU 32 1HD2 LEU 32 10.553 13.217 -8.376 256 HD23 LEU 32 2HD2 LEU 32 10.914 13.915 -6.797 257 H LYS 33 H LYS 33 15.273 14.202 -7.765 258 HA LYS 33 HA LYS 33 15.934 16.113 -9.667 259 HB2 LYS 33 2HB LYS 33 16.057 17.246 -7.743 260 HB3 LYS 33 3HB LYS 33 16.264 15.764 -6.818 261 HG2 LYS 33 2HG LYS 33 18.568 16.950 -8.308 262 HG3 LYS 33 3HG LYS 33 18.095 17.580 -6.728 263 HD2 LYS 33 2HD LYS 33 18.823 15.740 -5.631 264 HD3 LYS 33 3HD LYS 33 18.335 14.646 -6.928 265 HE2 LYS 33 2HE LYS 33 20.535 14.468 -7.323 266 HE3 LYS 33 3HE LYS 33 20.356 16.035 -8.112 267 HZ1 LYS 33 3HZ LYS 33 21.385 15.445 -5.408 268 HZ2 LYS 33 1HZ LYS 33 20.811 16.986 -5.805 269 HZ3 LYS 33 2HZ LYS 33 22.119 16.327 -6.651 270 H THR 34 H THR 34 17.730 13.359 -8.560 271 HA THR 34 HA THR 34 20.261 14.255 -9.601 272 HB THR 34 HB THR 34 19.583 12.363 -7.758 273 HG1 THR 34 HG1 THR 34 21.989 12.336 -9.284 274 HG21 THR 34 3HG2 THR 34 19.994 10.186 -8.566 275 HG22 THR 34 1HG2 THR 34 20.586 10.784 -10.115 276 HG23 THR 34 2HG2 THR 34 18.871 10.899 -9.723 277 H LEU 35 H LEU 35 17.500 12.578 -10.817 278 HA LEU 35 HA LEU 35 18.839 11.317 -13.019 279 HB2 LEU 35 2HB LEU 35 15.902 11.903 -12.903 280 HB3 LEU 35 3HB LEU 35 16.730 10.565 -13.698 281 HG LEU 35 HG LEU 35 16.399 10.913 -10.718 282 HD11 LEU 35 1HD1 LEU 35 14.564 9.630 -10.804 283 HD12 LEU 35 2HD1 LEU 35 15.218 8.600 -12.077 284 HD13 LEU 35 3HD1 LEU 35 14.483 10.149 -12.487 285 HD21 LEU 35 3HD2 LEU 35 18.492 9.757 -11.487 286 HD22 LEU 35 1HD2 LEU 35 17.460 8.533 -12.227 287 HD23 LEU 35 2HD2 LEU 35 17.422 8.780 -10.481 288 H THR 36 H THR 36 16.432 13.949 -12.873 289 HA THR 36 HA THR 36 17.805 15.226 -15.135 290 HB THR 36 HB THR 36 15.951 14.151 -16.185 291 HG1 THR 36 HG1 THR 36 16.095 16.184 -17.002 292 HG21 THR 36 3HG2 THR 36 14.116 13.612 -15.047 293 HG22 THR 36 1HG2 THR 36 13.682 15.317 -14.940 294 HG23 THR 36 2HG2 THR 36 14.668 14.577 -13.679 295 H GLY 37 H GLY 37 15.879 15.480 -12.247 296 HA2 GLY 37 2HA GLY 37 15.309 18.241 -12.332 297 HA3 GLY 37 3HA GLY 37 15.377 17.254 -10.879 298 H VAL 38 H VAL 38 16.192 19.584 -10.301 299 HA VAL 38 HA VAL 38 19.120 19.646 -10.628 300 HB VAL 38 HB VAL 38 18.353 21.667 -11.507 301 HG11 VAL 38 1HG1 VAL 38 16.169 22.047 -11.145 302 HG12 VAL 38 2HG1 VAL 38 16.214 21.359 -9.521 303 HG13 VAL 38 3HG1 VAL 38 16.741 23.020 -9.791 304 HG21 VAL 38 3HG2 VAL 38 20.127 21.971 -9.830 305 HG22 VAL 38 1HG2 VAL 38 19.078 23.384 -9.951 306 HG23 VAL 38 2HG2 VAL 38 18.898 22.265 -8.600 307 H LEU 39 H LEU 39 20.423 19.722 -8.858 308 HA LEU 39 HA LEU 39 19.577 18.646 -6.447 309 HB2 LEU 39 2HB LEU 39 21.756 19.806 -5.583 310 HB3 LEU 39 3HB LEU 39 21.836 18.468 -6.727 311 HG LEU 39 HG LEU 39 23.364 20.481 -7.121 312 HD11 LEU 39 1HD1 LEU 39 22.035 18.714 -8.864 313 HD12 LEU 39 2HD1 LEU 39 23.567 19.549 -9.120 314 HD13 LEU 39 3HD1 LEU 39 22.059 20.292 -9.654 315 HD21 LEU 39 3HD2 LEU 39 22.333 22.315 -8.402 316 HD22 LEU 39 1HD2 LEU 39 21.746 22.240 -6.741 317 HD23 LEU 39 2HD2 LEU 39 20.741 21.638 -8.059 318 HA PRO 40 HA PRO 40 17.692 21.916 -4.198 319 HB2 PRO 40 2HB PRO 40 18.311 21.186 -1.658 320 HB3 PRO 40 3HB PRO 40 17.114 20.332 -2.638 321 HG2 PRO 40 2HG PRO 40 19.973 19.627 -2.102 322 HG3 PRO 40 3HG PRO 40 18.547 18.573 -2.126 323 HD2 PRO 40 2HD PRO 40 20.275 18.733 -4.205 324 HD3 PRO 40 3HD PRO 40 18.541 18.423 -4.426 325 H GLU 41 H GLU 41 21.091 21.266 -3.851 326 HA GLU 41 HA GLU 41 21.890 23.267 -2.109 327 HB2 GLU 41 2HB GLU 41 23.439 21.584 -2.908 328 HB3 GLU 41 3HB GLU 41 23.302 22.189 -4.553 329 HG2 GLU 41 2HG GLU 41 25.386 22.851 -3.366 330 HG3 GLU 41 3HG GLU 41 24.441 24.197 -4.001 331 H ARG 42 H ARG 42 21.165 23.453 -5.555 332 HA ARG 42 HA ARG 42 21.636 26.351 -5.483 333 HB2 ARG 42 2HB ARG 42 21.715 24.291 -7.627 334 HB3 ARG 42 3HB ARG 42 21.200 25.910 -8.080 335 HG2 ARG 42 2HG ARG 42 23.386 26.266 -8.392 336 HG3 ARG 42 3HG ARG 42 23.422 26.467 -6.639 337 HD2 ARG 42 2HD ARG 42 24.069 24.163 -6.344 338 HD3 ARG 42 3HD ARG 42 23.893 23.857 -8.071 339 HE ARG 42 HE ARG 42 25.728 25.832 -7.997 340 HH11 ARG 42 1HH1 ARG 42 25.466 22.776 -6.350 341 HH12 ARG 42 2HH1 ARG 42 27.179 22.548 -6.226 342 HH21 ARG 42 1HH2 ARG 42 27.985 25.543 -7.840 343 HH22 ARG 42 2HH2 ARG 42 28.611 24.123 -7.073 344 H GLN 43 H GLN 43 19.227 23.907 -6.318 345 HA GLN 43 HA GLN 43 17.227 25.997 -6.752 346 HB2 GLN 43 2HB GLN 43 15.991 24.467 -7.949 347 HB3 GLN 43 3HB GLN 43 17.619 23.873 -8.249 348 HG2 GLN 43 2HG GLN 43 16.539 21.932 -7.728 349 HG3 GLN 43 3HG GLN 43 17.155 22.401 -6.145 350 HE21 GLN 43 1HE2 GLN 43 15.438 20.956 -5.406 351 HE22 GLN 43 2HE2 GLN 43 13.843 21.591 -5.216 352 H LYS 44 H LYS 44 15.120 25.809 -5.732 353 HA LYS 44 HA LYS 44 15.192 24.418 -3.139 354 HB2 LYS 44 2HB LYS 44 14.438 26.282 -1.971 355 HB3 LYS 44 3HB LYS 44 15.584 26.982 -3.106 356 HG2 LYS 44 2HG LYS 44 12.596 26.911 -3.474 357 HG3 LYS 44 3HG LYS 44 13.529 28.302 -2.916 358 HD2 LYS 44 2HD LYS 44 14.849 27.661 -5.204 359 HD3 LYS 44 3HD LYS 44 13.195 27.207 -5.624 360 HE2 LYS 44 2HE LYS 44 12.684 29.342 -5.950 361 HE3 LYS 44 3HE LYS 44 13.117 29.711 -4.282 362 HZ1 LYS 44 3HZ LYS 44 15.520 29.659 -5.285 363 HZ2 LYS 44 1HZ LYS 44 14.563 31.050 -5.397 364 HZ3 LYS 44 2HZ LYS 44 14.705 30.012 -6.725 365 H LEU 45 H LEU 45 13.295 23.498 -2.455 366 HA LEU 45 HA LEU 45 11.371 22.848 -4.426 367 HB2 LEU 45 2HB LEU 45 11.495 22.437 -1.454 368 HB3 LEU 45 3HB LEU 45 10.111 21.913 -2.411 369 HG LEU 45 HG LEU 45 11.524 20.025 -2.040 370 HD11 LEU 45 1HD1 LEU 45 10.504 20.286 -4.284 371 HD12 LEU 45 2HD1 LEU 45 11.984 19.328 -4.292 372 HD13 LEU 45 3HD1 LEU 45 12.015 21.001 -4.849 373 HD21 LEU 45 3HD2 LEU 45 13.790 21.571 -3.289 374 HD22 LEU 45 1HD2 LEU 45 13.851 19.951 -2.594 375 HD23 LEU 45 2HD2 LEU 45 13.579 21.348 -1.551 376 H LEU 46 H LEU 46 9.419 23.692 -4.892 377 HA LEU 46 HA LEU 46 8.774 26.294 -3.880 378 HB2 LEU 46 2HB LEU 46 7.504 24.428 -5.851 379 HB3 LEU 46 3HB LEU 46 6.676 25.893 -5.326 380 HG LEU 46 HG LEU 46 7.751 26.309 -7.431 381 HD11 LEU 46 1HD1 LEU 46 9.613 27.649 -5.533 382 HD12 LEU 46 2HD1 LEU 46 7.883 27.963 -5.399 383 HD13 LEU 46 3HD1 LEU 46 8.727 28.313 -6.907 384 HD21 LEU 46 3HD2 LEU 46 10.507 26.021 -6.492 385 HD22 LEU 46 1HD2 LEU 46 9.774 25.561 -8.029 386 HD23 LEU 46 2HD2 LEU 46 9.628 24.497 -6.630 387 H GLY 47 H GLY 47 6.550 23.535 -4.195 388 HA2 GLY 47 2HA GLY 47 5.247 24.392 -1.715 389 HA3 GLY 47 3HA GLY 47 4.579 23.288 -2.908 390 H LEU 48 H LEU 48 7.475 23.434 -0.827 391 HA LEU 48 HA LEU 48 7.860 20.693 -0.594 392 HB2 LEU 48 2HB LEU 48 9.105 21.223 1.474 393 HB3 LEU 48 3HB LEU 48 9.554 22.233 0.101 394 HG LEU 48 HG LEU 48 7.766 23.859 1.233 395 HD11 LEU 48 1HD1 LEU 48 7.217 22.322 3.041 396 HD12 LEU 48 2HD1 LEU 48 7.983 23.783 3.664 397 HD13 LEU 48 3HD1 LEU 48 8.909 22.287 3.539 398 HD21 LEU 48 3HD2 LEU 48 10.679 23.482 1.865 399 HD22 LEU 48 1HD2 LEU 48 9.749 24.839 2.500 400 HD23 LEU 48 2HD2 LEU 48 9.929 24.634 0.758 401 H LYS 49 H LYS 49 5.502 22.727 0.886 402 HA LYS 49 HA LYS 49 4.734 20.585 2.746 403 HB2 LYS 49 2HB LYS 49 3.132 22.685 3.409 404 HB3 LYS 49 3HB LYS 49 4.687 22.344 4.156 405 HG2 LYS 49 2HG LYS 49 5.788 23.916 2.717 406 HG3 LYS 49 3HG LYS 49 4.307 24.168 1.791 407 HD2 LYS 49 2HD LYS 49 3.233 25.198 3.669 408 HD3 LYS 49 3HD LYS 49 4.576 24.772 4.733 409 HE2 LYS 49 2HE LYS 49 5.690 26.199 2.584 410 HE3 LYS 49 3HE LYS 49 4.238 27.080 3.060 411 HZ1 LYS 49 3HZ LYS 49 5.042 27.194 5.305 412 HZ2 LYS 49 1HZ LYS 49 6.238 27.793 4.269 413 HZ3 LYS 49 2HZ LYS 49 6.390 26.243 4.927 414 H VAL 50 H VAL 50 2.702 19.692 2.709 415 HA VAL 50 HA VAL 50 0.770 20.667 0.744 416 HB VAL 50 HB VAL 50 1.593 17.763 0.816 417 HG11 VAL 50 1HG1 VAL 50 -0.640 19.186 -0.302 418 HG12 VAL 50 2HG1 VAL 50 0.305 18.423 -1.582 419 HG13 VAL 50 3HG1 VAL 50 -0.329 17.451 -0.254 420 HG21 VAL 50 3HG2 VAL 50 2.509 20.030 -0.905 421 HG22 VAL 50 1HG2 VAL 50 3.446 18.728 -0.171 422 HG23 VAL 50 2HG2 VAL 50 2.421 18.398 -1.568 423 H LYS 51 H LYS 51 -1.354 20.195 1.228 424 HA LYS 51 HA LYS 51 -3.136 19.818 2.594 425 HB2 LYS 51 2HB LYS 51 -1.513 17.361 3.281 426 HB3 LYS 51 3HB LYS 51 -3.208 17.591 3.694 427 HG2 LYS 51 2HG LYS 51 -2.042 17.415 0.923 428 HG3 LYS 51 3HG LYS 51 -3.020 16.195 1.742 429 HD2 LYS 51 2HD LYS 51 -4.606 18.418 1.912 430 HD3 LYS 51 3HD LYS 51 -3.833 18.633 0.339 431 HE2 LYS 51 2HE LYS 51 -4.988 15.976 1.065 432 HE3 LYS 51 3HE LYS 51 -6.063 17.277 0.554 433 HZ1 LYS 51 3HZ LYS 51 -4.113 17.347 -1.312 434 HZ2 LYS 51 1HZ LYS 51 -5.601 16.562 -1.493 435 HZ3 LYS 51 2HZ LYS 51 -4.238 15.689 -1.003 436 H GLY 52 H GLY 52 -0.997 21.454 3.643 437 HA2 GLY 52 2HA GLY 52 -0.834 22.630 5.649 438 HA3 GLY 52 3HA GLY 52 -1.777 21.372 6.434 439 H LYS 53 H LYS 53 0.273 19.474 5.033 440 HA LYS 53 HA LYS 53 1.998 19.291 7.340 441 HB2 LYS 53 2HB LYS 53 1.729 17.633 4.833 442 HB3 LYS 53 3HB LYS 53 2.931 17.301 6.073 443 HG2 LYS 53 2HG LYS 53 -0.052 17.323 6.487 444 HG3 LYS 53 3HG LYS 53 0.959 15.886 6.315 445 HD2 LYS 53 2HD LYS 53 2.187 17.372 8.319 446 HD3 LYS 53 3HD LYS 53 0.459 17.529 8.646 447 HE2 LYS 53 2HE LYS 53 0.235 15.350 9.188 448 HE3 LYS 53 3HE LYS 53 1.375 14.819 7.953 449 HZ1 LYS 53 3HZ LYS 53 2.467 16.276 10.233 450 HZ2 LYS 53 1HZ LYS 53 3.121 14.982 9.361 451 HZ3 LYS 53 2HZ LYS 53 1.923 14.700 10.521 452 HA PRO 54 HA PRO 54 5.473 21.463 5.754 453 HB2 PRO 54 2HB PRO 54 7.480 20.159 7.035 454 HB3 PRO 54 3HB PRO 54 6.381 21.273 7.856 455 HG2 PRO 54 2HG PRO 54 6.320 18.282 7.754 456 HG3 PRO 54 3HG PRO 54 6.050 19.360 9.136 457 HD2 PRO 54 2HD PRO 54 4.017 18.206 7.770 458 HD3 PRO 54 3HD PRO 54 3.874 19.808 8.524 459 H ALA 55 H ALA 55 5.583 17.927 5.650 460 HA ALA 55 HA ALA 55 6.768 16.489 4.294 461 HB1 ALA 55 1HB ALA 55 6.319 17.188 1.800 462 HB2 ALA 55 2HB ALA 55 5.003 16.647 2.844 463 HB3 ALA 55 3HB ALA 55 5.250 18.369 2.557 464 H GLU 56 H GLU 56 8.509 18.406 5.370 465 HA GLU 56 HA GLU 56 10.098 19.690 3.415 466 HB2 GLU 56 2HB GLU 56 10.160 20.382 5.745 467 HB3 GLU 56 3HB GLU 56 10.778 18.808 6.225 468 HG2 GLU 56 2HG GLU 56 12.832 19.582 5.994 469 HG3 GLU 56 3HG GLU 56 12.538 19.780 4.267 470 H ASN 57 H ASN 57 11.244 17.056 5.508 471 HA ASN 57 HA ASN 57 12.085 15.470 3.249 472 HB2 ASN 57 2HB ASN 57 14.503 15.490 4.367 473 HB3 ASN 57 3HB ASN 57 14.048 16.647 3.120 474 HD21 ASN 57 1HD2 ASN 57 15.030 18.474 3.624 475 HD22 ASN 57 2HD2 ASN 57 14.988 19.250 5.167 476 H ASP 58 H ASP 58 12.124 16.022 6.726 477 HA ASP 58 HA ASP 58 12.763 13.316 7.400 478 HB2 ASP 58 2HB ASP 58 11.849 15.724 8.937 479 HB3 ASP 58 3HB ASP 58 11.833 14.138 9.703 480 H VAL 59 H VAL 59 10.086 14.578 6.014 481 HA VAL 59 HA VAL 59 8.143 12.982 7.494 482 HB VAL 59 HB VAL 59 7.352 14.408 5.013 483 HG11 VAL 59 1HG1 VAL 59 5.427 15.023 6.501 484 HG12 VAL 59 2HG1 VAL 59 5.644 13.291 6.242 485 HG13 VAL 59 3HG1 VAL 59 6.167 14.030 7.756 486 HG21 VAL 59 3HG2 VAL 59 8.316 15.786 7.503 487 HG22 VAL 59 1HG2 VAL 59 8.757 16.105 5.826 488 HG23 VAL 59 2HG2 VAL 59 7.150 16.534 6.412 489 H LYS 60 H LYS 60 6.932 11.316 6.575 490 HA LYS 60 HA LYS 60 8.297 9.893 4.437 491 HB2 LYS 60 2HB LYS 60 6.083 9.130 6.338 492 HB3 LYS 60 3HB LYS 60 6.606 8.084 5.024 493 HG2 LYS 60 2HG LYS 60 8.977 8.509 6.130 494 HG3 LYS 60 3HG LYS 60 7.975 8.784 7.557 495 HD2 LYS 60 2HD LYS 60 6.887 6.502 6.481 496 HD3 LYS 60 3HD LYS 60 8.610 6.300 6.159 497 HE2 LYS 60 2HE LYS 60 8.721 5.515 8.252 498 HE3 LYS 60 3HE LYS 60 8.606 7.205 8.740 499 HZ1 LYS 60 3HZ LYS 60 6.903 6.333 9.938 500 HZ2 LYS 60 1HZ LYS 60 6.574 5.104 8.822 501 HZ3 LYS 60 2HZ LYS 60 6.053 6.683 8.518 502 H LEU 61 H LEU 61 7.337 9.245 2.511 503 HA LEU 61 HA LEU 61 5.684 11.030 1.206 504 HB2 LEU 61 2HB LEU 61 5.742 8.108 0.524 505 HB3 LEU 61 3HB LEU 61 5.562 9.485 -0.561 506 HG LEU 61 HG LEU 61 8.089 8.728 0.905 507 HD11 LEU 61 1HD1 LEU 61 7.403 7.161 -0.903 508 HD12 LEU 61 2HD1 LEU 61 8.928 7.991 -1.209 509 HD13 LEU 61 3HD1 LEU 61 7.459 8.515 -2.033 510 HD21 LEU 61 3HD2 LEU 61 8.525 10.910 0.578 511 HD22 LEU 61 1HD2 LEU 61 7.257 11.090 -0.635 512 HD23 LEU 61 2HD2 LEU 61 8.819 10.407 -1.087 513 H GLY 62 H GLY 62 4.825 8.125 3.015 514 HA2 GLY 62 2HA GLY 62 2.048 8.229 2.302 515 HA3 GLY 62 3HA GLY 62 2.768 7.221 3.549 516 H ALA 63 H ALA 63 3.979 9.874 4.594 517 HA ALA 63 HA ALA 63 1.815 10.392 6.444 518 HB1 ALA 63 1HB ALA 63 4.117 10.163 7.256 519 HB2 ALA 63 2HB ALA 63 4.581 11.590 6.328 520 HB3 ALA 63 3HB ALA 63 3.433 11.739 7.658 521 H LEU 64 H LEU 64 3.076 11.780 3.578 522 HA LEU 64 HA LEU 64 2.059 14.439 4.100 523 HB2 LEU 64 2HB LEU 64 2.757 13.681 1.343 524 HB3 LEU 64 3HB LEU 64 3.220 15.099 2.282 525 HG LEU 64 HG LEU 64 4.468 12.361 2.520 526 HD11 LEU 64 1HD1 LEU 64 4.848 13.784 0.393 527 HD12 LEU 64 2HD1 LEU 64 6.241 13.105 1.235 528 HD13 LEU 64 3HD1 LEU 64 5.822 14.804 1.452 529 HD21 LEU 64 3HD2 LEU 64 4.396 13.902 4.564 530 HD22 LEU 64 1HD2 LEU 64 5.507 14.934 3.663 531 HD23 LEU 64 2HD2 LEU 64 5.968 13.279 4.061 532 H LYS 65 H LYS 65 0.897 11.497 2.798 533 HA LYS 65 HA LYS 65 -1.042 10.884 1.773 534 HB2 LYS 65 2HB LYS 65 -2.164 13.447 2.905 535 HB3 LYS 65 3HB LYS 65 -3.044 11.976 2.512 536 HG2 LYS 65 2HG LYS 65 -0.979 12.245 4.688 537 HG3 LYS 65 3HG LYS 65 -2.729 12.250 4.921 538 HD2 LYS 65 2HD LYS 65 -2.854 9.984 3.999 539 HD3 LYS 65 3HD LYS 65 -1.104 9.982 3.769 540 HE2 LYS 65 2HE LYS 65 -1.433 8.826 5.777 541 HE3 LYS 65 3HE LYS 65 -0.954 10.448 6.276 542 HZ1 LYS 65 3HZ LYS 65 -3.811 9.857 5.986 543 HZ2 LYS 65 1HZ LYS 65 -3.035 10.930 7.039 544 HZ3 LYS 65 2HZ LYS 65 -3.002 9.268 7.351 545 H LEU 66 H LEU 66 0.738 12.199 0.096 546 HA LEU 66 HA LEU 66 -0.829 14.091 -1.474 547 HB2 LEU 66 2HB LEU 66 1.983 13.482 -1.124 548 HB3 LEU 66 3HB LEU 66 1.542 13.589 -2.827 549 HG LEU 66 HG LEU 66 1.167 15.739 -0.743 550 HD11 LEU 66 1HD1 LEU 66 2.725 16.785 -2.691 551 HD12 LEU 66 2HD1 LEU 66 3.272 15.109 -2.692 552 HD13 LEU 66 3HD1 LEU 66 3.341 16.058 -1.207 553 HD21 LEU 66 3HD2 LEU 66 -0.480 16.430 -2.090 554 HD22 LEU 66 1HD2 LEU 66 -0.005 15.333 -3.387 555 HD23 LEU 66 2HD2 LEU 66 0.810 16.886 -3.204 556 H LYS 67 H LYS 67 -1.258 13.787 -3.705 557 HA LYS 67 HA LYS 67 -2.105 11.163 -4.374 558 HB2 LYS 67 2HB LYS 67 -2.176 13.835 -5.632 559 HB3 LYS 67 3HB LYS 67 -2.203 12.476 -6.748 560 HG2 LYS 67 2HG LYS 67 -4.434 12.735 -6.415 561 HG3 LYS 67 3HG LYS 67 -4.077 11.614 -5.099 562 HD2 LYS 67 2HD LYS 67 -3.809 13.588 -3.592 563 HD3 LYS 67 3HD LYS 67 -4.367 14.611 -4.918 564 HE2 LYS 67 2HE LYS 67 -6.517 13.940 -4.705 565 HE3 LYS 67 3HE LYS 67 -6.070 12.291 -4.271 566 HZ1 LYS 67 3HZ LYS 67 -7.071 13.304 -2.387 567 HZ2 LYS 67 1HZ LYS 67 -6.078 14.670 -2.499 568 HZ3 LYS 67 2HZ LYS 67 -5.416 13.177 -2.058 569 HA PRO 68 HA PRO 68 1.342 9.428 -6.462 570 HB2 PRO 68 2HB PRO 68 0.176 8.161 -8.561 571 HB3 PRO 68 3HB PRO 68 0.035 7.589 -6.894 572 HG2 PRO 68 2HG PRO 68 -1.906 9.188 -8.520 573 HG3 PRO 68 3HG PRO 68 -2.215 7.818 -7.438 574 HD2 PRO 68 2HD PRO 68 -2.636 10.387 -6.693 575 HD3 PRO 68 3HD PRO 68 -2.128 9.131 -5.545 576 H ASN 69 H ASN 69 -0.923 11.162 -8.570 577 HA ASN 69 HA ASN 69 1.037 11.561 -10.637 578 HB2 ASN 69 2HB ASN 69 -1.615 12.973 -10.295 579 HB3 ASN 69 3HB ASN 69 -0.673 12.821 -11.775 580 HD21 ASN 69 1HD2 ASN 69 -3.382 11.815 -10.486 581 HD22 ASN 69 2HD2 ASN 69 -3.483 10.205 -11.104 582 H THR 70 H THR 70 0.271 13.084 -7.702 583 HA THR 70 HA THR 70 0.524 15.713 -7.843 584 HB THR 70 HB THR 70 2.248 13.966 -6.078 585 HG1 THR 70 HG1 THR 70 -0.345 15.083 -5.857 586 HG21 THR 70 3HG2 THR 70 1.784 16.924 -6.126 587 HG22 THR 70 1HG2 THR 70 3.288 16.034 -5.891 588 HG23 THR 70 2HG2 THR 70 2.090 16.098 -4.598 589 H LYS 71 H LYS 71 1.808 17.221 -8.698 590 HA LYS 71 HA LYS 71 4.310 16.354 -9.952 591 HB2 LYS 71 2HB LYS 71 2.963 19.023 -10.320 592 HB3 LYS 71 3HB LYS 71 4.136 18.244 -11.373 593 HG2 LYS 71 2HG LYS 71 2.415 17.552 -12.587 594 HG3 LYS 71 3HG LYS 71 2.037 16.444 -11.267 595 HD2 LYS 71 2HD LYS 71 0.075 17.493 -11.109 596 HD3 LYS 71 3HD LYS 71 0.966 18.862 -10.440 597 HE2 LYS 71 2HE LYS 71 0.953 20.015 -12.435 598 HE3 LYS 71 3HE LYS 71 0.777 18.550 -13.401 599 HZ1 LYS 71 3HZ LYS 71 -1.397 18.878 -13.447 600 HZ2 LYS 71 1HZ LYS 71 -1.224 20.296 -12.540 601 HZ3 LYS 71 2HZ LYS 71 -1.479 18.818 -11.758 602 H ILE 72 H ILE 72 6.267 17.387 -9.586 603 HA ILE 72 HA ILE 72 6.340 19.111 -7.196 604 HB ILE 72 HB ILE 72 8.482 17.223 -8.182 605 HG12 ILE 72 2HG1 ILE 72 6.608 16.002 -7.224 606 HG13 ILE 72 3HG1 ILE 72 7.971 15.958 -6.112 607 HG21 ILE 72 1HG2 ILE 72 8.359 19.127 -5.861 608 HG22 ILE 72 2HG2 ILE 72 9.474 17.763 -5.906 609 HG23 ILE 72 3HG2 ILE 72 9.575 19.024 -7.134 610 HD11 ILE 72 3HD1 ILE 72 6.043 16.327 -4.812 611 HD12 ILE 72 1HD1 ILE 72 6.886 17.874 -4.896 612 HD13 ILE 72 2HD1 ILE 72 5.462 17.589 -5.897 613 H MET 73 H MET 73 7.170 21.088 -7.410 614 HA MET 73 HA MET 73 8.447 21.780 -9.958 615 HB2 MET 73 2HB MET 73 7.226 23.552 -7.834 616 HB3 MET 73 3HB MET 73 7.937 24.120 -9.338 617 HG2 MET 73 2HG MET 73 6.206 23.305 -10.624 618 HG3 MET 73 3HG MET 73 5.721 22.127 -9.406 619 HE1 MET 73 3HE MET 73 4.860 22.664 -7.212 620 HE2 MET 73 1HE MET 73 3.770 23.999 -6.839 621 HE3 MET 73 2HE MET 73 3.278 22.754 -7.986 622 H MET 74 H MET 74 10.449 22.727 -10.068 623 HA MET 74 HA MET 74 11.896 23.163 -7.554 624 HB2 MET 74 2HB MET 74 12.961 21.589 -9.906 625 HB3 MET 74 3HB MET 74 13.878 22.025 -8.470 626 HG2 MET 74 2HG MET 74 12.372 20.684 -7.096 627 HG3 MET 74 3HG MET 74 11.447 20.252 -8.533 628 HE1 MET 74 3HE MET 74 13.364 17.727 -10.378 629 HE2 MET 74 1HE MET 74 12.190 19.043 -10.413 630 HE3 MET 74 2HE MET 74 13.882 19.362 -10.793 631 H MET 75 H MET 75 12.609 25.184 -7.552 632 HA MET 75 HA MET 75 13.245 26.465 -10.120 633 HB2 MET 75 2HB MET 75 12.628 27.721 -7.440 634 HB3 MET 75 3HB MET 75 12.962 28.600 -8.926 635 HG2 MET 75 2HG MET 75 10.837 26.681 -9.292 636 HG3 MET 75 3HG MET 75 10.486 27.796 -7.973 637 HE1 MET 75 3HE MET 75 9.284 27.038 -10.695 638 HE2 MET 75 1HE MET 75 8.626 28.541 -11.341 639 HE3 MET 75 2HE MET 75 10.039 27.802 -12.094 640 H GLY 76 H GLY 76 15.288 26.968 -10.595 641 HA2 GLY 76 2HA GLY 76 17.247 28.050 -9.075 642 HA3 GLY 76 3HA GLY 76 17.374 26.339 -8.696 643 H THR 77 H THR 77 19.476 26.305 -9.603 644 HA THR 77 HA THR 77 19.442 26.129 -12.536 645 HB THR 77 HB THR 77 20.503 28.233 -12.137 646 HG1 THR 77 HG1 THR 77 21.776 27.427 -13.647 647 HG21 THR 77 3HG2 THR 77 21.399 26.987 -9.740 648 HG22 THR 77 1HG2 THR 77 21.524 28.682 -10.210 649 HG23 THR 77 2HG2 THR 77 22.813 27.552 -10.631 650 H ARG 78 H ARG 78 20.790 24.572 -13.433 651 HA ARG 78 HA ARG 78 21.298 22.291 -11.859 652 HB2 ARG 78 2HB ARG 78 21.933 23.109 -14.663 653 HB3 ARG 78 3HB ARG 78 22.725 21.688 -13.995 654 HG2 ARG 78 2HG ARG 78 20.943 20.566 -14.715 655 HG3 ARG 78 3HG ARG 78 20.102 21.268 -13.332 656 HD2 ARG 78 2HD ARG 78 18.674 21.925 -14.973 657 HD3 ARG 78 3HD ARG 78 19.797 23.283 -15.036 658 HE ARG 78 HE ARG 78 20.430 22.605 -17.123 659 HH11 ARG 78 1HH1 ARG 78 18.813 19.969 -15.524 660 HH12 ARG 78 2HH1 ARG 78 18.795 18.956 -16.930 661 HH21 ARG 78 1HH2 ARG 78 20.412 21.281 -18.980 662 HH22 ARG 78 2HH2 ARG 78 19.706 19.703 -18.895 663 H GLU 79 H GLU 79 23.368 21.239 -11.499 664 HA GLU 79 HA GLU 79 25.183 22.765 -10.097 665 HB2 GLU 79 2HB GLU 79 26.779 20.804 -10.497 666 HB3 GLU 79 3HB GLU 79 25.245 20.450 -9.714 667 HG2 GLU 79 2HG GLU 79 24.352 19.487 -11.669 668 HG3 GLU 79 3HG GLU 79 25.654 20.128 -12.669 669 H GLU 80 H GLU 80 26.929 23.969 -10.569 670 HA GLU 80 HA GLU 80 27.346 24.981 -13.131 671 HB2 GLU 80 2HB GLU 80 29.273 26.089 -12.248 672 HB3 GLU 80 3HB GLU 80 28.057 26.051 -10.979 673 HG2 GLU 80 2HG GLU 80 29.286 23.900 -10.216 674 HG3 GLU 80 3HG GLU 80 30.614 24.530 -11.190 675 H SER 81 H SER 81 28.779 22.236 -11.502 676 HA SER 81 HA SER 81 29.835 21.269 -14.012 677 HB2 SER 81 2HB SER 81 31.553 22.791 -12.515 678 HB3 SER 81 3HB SER 81 31.913 21.166 -11.932 679 HG SER 81 HG SER 81 33.196 21.563 -13.710 680 HN1 NH2 90 H1 NH2 90 28.866 19.113 -10.769 Start of MODEL 18 1 H1 MET 1 H MET 1 3.034 -0.450 0.551 2 HA MET 1 HA MET 1 3.063 -1.017 -1.937 3 HB2 MET 1 2HB MET 1 0.499 0.535 -1.611 4 HB3 MET 1 3HB MET 1 1.312 0.375 -3.162 5 HG2 MET 1 2HG MET 1 0.539 -2.016 -1.529 6 HG3 MET 1 3HG MET 1 -0.587 -1.237 -2.639 7 HE1 MET 1 3HE MET 1 2.957 -3.486 -2.714 8 HE2 MET 1 1HE MET 1 1.397 -3.890 -1.997 9 HE3 MET 1 2HE MET 1 1.873 -4.610 -3.535 10 H ALA 2 H ALA 2 3.970 0.516 -3.409 11 HA ALA 2 HA ALA 2 5.226 2.733 -2.054 12 HB1 ALA 2 1HB ALA 2 5.802 2.758 -4.837 13 HB2 ALA 2 2HB ALA 2 6.853 2.298 -3.497 14 HB3 ALA 2 3HB ALA 2 5.837 1.086 -4.277 15 H LEU 3 H LEU 3 5.081 4.915 -2.630 16 HA LEU 3 HA LEU 3 2.595 5.624 -4.032 17 HB2 LEU 3 2HB LEU 3 3.834 6.534 -1.597 18 HB3 LEU 3 3HB LEU 3 3.584 7.881 -2.705 19 HG LEU 3 HG LEU 3 1.362 5.992 -1.978 20 HD11 LEU 3 1HD1 LEU 3 0.769 8.077 -0.464 21 HD12 LEU 3 2HD1 LEU 3 2.525 8.229 -0.411 22 HD13 LEU 3 3HD1 LEU 3 1.753 6.742 0.136 23 HD21 LEU 3 3HD2 LEU 3 1.585 8.689 -3.264 24 HD22 LEU 3 1HD2 LEU 3 0.090 8.180 -2.478 25 HD23 LEU 3 2HD2 LEU 3 0.737 7.249 -3.830 26 HA PRO 4 HA PRO 4 5.450 7.072 -7.188 27 HB2 PRO 4 2HB PRO 4 3.520 7.555 -9.034 28 HB3 PRO 4 3HB PRO 4 4.152 5.937 -8.706 29 HG2 PRO 4 2HG PRO 4 1.637 7.224 -7.716 30 HG3 PRO 4 3HG PRO 4 1.889 5.574 -8.315 31 HD2 PRO 4 2HD PRO 4 1.752 6.161 -5.675 32 HD3 PRO 4 3HD PRO 4 2.760 4.844 -6.309 33 H ILE 5 H ILE 5 5.856 9.088 -8.195 34 HA ILE 5 HA ILE 5 4.105 11.327 -7.601 35 HB ILE 5 HB ILE 5 6.958 11.280 -6.610 36 HG12 ILE 5 2HG1 ILE 5 4.313 11.300 -5.142 37 HG13 ILE 5 3HG1 ILE 5 5.514 10.013 -5.135 38 HG21 ILE 5 1HG2 ILE 5 6.521 13.512 -5.764 39 HG22 ILE 5 2HG2 ILE 5 6.272 13.460 -7.509 40 HG23 ILE 5 3HG2 ILE 5 4.885 13.461 -6.421 41 HD11 ILE 5 3HD1 ILE 5 5.323 12.365 -3.486 42 HD12 ILE 5 1HD1 ILE 5 6.318 10.924 -3.285 43 HD13 ILE 5 2HD1 ILE 5 6.894 12.262 -4.279 44 H ILE 6 H ILE 6 4.214 12.898 -9.114 45 HA ILE 6 HA ILE 6 6.060 12.466 -11.337 46 HB ILE 6 HB ILE 6 3.515 14.037 -11.054 47 HG12 ILE 6 2HG1 ILE 6 3.912 12.351 -13.402 48 HG13 ILE 6 3HG1 ILE 6 4.092 11.456 -11.897 49 HG21 ILE 6 1HG2 ILE 6 3.898 14.723 -13.453 50 HG22 ILE 6 2HG2 ILE 6 4.889 15.545 -12.249 51 HG23 ILE 6 3HG2 ILE 6 5.583 14.252 -13.227 52 HD11 ILE 6 3HD1 ILE 6 1.901 11.381 -11.639 53 HD12 ILE 6 1HD1 ILE 6 1.788 13.138 -11.737 54 HD13 ILE 6 2HD1 ILE 6 1.723 12.167 -13.208 55 H VAL 7 H VAL 7 7.547 13.942 -12.021 56 HA VAL 7 HA VAL 7 7.805 16.422 -10.452 57 HB VAL 7 HB VAL 7 9.492 14.828 -9.683 58 HG11 VAL 7 1HG1 VAL 7 11.139 14.805 -12.062 59 HG12 VAL 7 2HG1 VAL 7 10.620 13.466 -11.036 60 HG13 VAL 7 3HG1 VAL 7 9.579 14.033 -12.342 61 HG21 VAL 7 3HG2 VAL 7 10.047 17.408 -10.849 62 HG22 VAL 7 1HG2 VAL 7 10.661 16.693 -9.358 63 HG23 VAL 7 2HG2 VAL 7 11.476 16.375 -10.890 64 H LYS 8 H LYS 8 7.778 18.181 -11.673 65 HA LYS 8 HA LYS 8 8.443 17.924 -14.529 66 HB2 LYS 8 2HB LYS 8 7.037 19.883 -14.898 67 HB3 LYS 8 3HB LYS 8 6.134 18.623 -14.068 68 HG2 LYS 8 2HG LYS 8 6.917 19.946 -11.928 69 HG3 LYS 8 3HG LYS 8 7.041 21.274 -13.085 70 HD2 LYS 8 2HD LYS 8 4.589 19.586 -12.585 71 HD3 LYS 8 3HD LYS 8 4.846 21.232 -12.003 72 HE2 LYS 8 2HE LYS 8 5.318 21.190 -14.807 73 HE3 LYS 8 3HE LYS 8 3.787 20.374 -14.494 74 HZ1 LYS 8 3HZ LYS 8 4.365 23.137 -14.425 75 HZ2 LYS 8 1HZ LYS 8 3.813 22.641 -12.905 76 HZ3 LYS 8 2HZ LYS 8 2.868 22.361 -14.279 77 H TRP 9 H TRP 9 10.297 18.785 -15.165 78 HA TRP 9 HA TRP 9 11.373 21.077 -13.657 79 HB2 TRP 9 2HB TRP 9 12.892 19.414 -13.104 80 HB3 TRP 9 3HB TRP 9 12.723 18.600 -14.657 81 HD1 TRP 9 HD1 TRP 9 14.856 18.782 -16.037 82 HE1 TRP 9 HE1 TRP 9 16.717 20.531 -16.357 83 HE3 TRP 9 HE3 TRP 9 13.142 22.383 -12.839 84 HZ2 TRP 9 HZ2 TRP 9 17.371 23.098 -15.382 85 HZ3 TRP 9 HZ3 TRP 9 14.444 24.456 -12.589 86 HH2 TRP 9 HH2 TRP 9 16.515 24.804 -13.835 87 H GLY 10 H GLY 10 10.900 22.768 -14.949 88 HA2 GLY 10 2HA GLY 10 11.488 24.210 -16.702 89 HA3 GLY 10 3HA GLY 10 12.188 22.845 -17.560 90 H GLY 11 H GLY 11 10.674 21.290 -18.536 91 HA2 GLY 11 2HA GLY 11 7.949 22.203 -18.946 92 HA3 GLY 11 3HA GLY 11 8.983 22.288 -20.364 93 H GLN 12 H GLN 12 9.664 19.765 -18.146 94 HA GLN 12 HA GLN 12 8.144 17.848 -19.777 95 HB2 GLN 12 2HB GLN 12 11.054 17.733 -19.009 96 HB3 GLN 12 3HB GLN 12 10.154 16.292 -19.462 97 HG2 GLN 12 2HG GLN 12 9.682 18.270 -21.435 98 HG3 GLN 12 3HG GLN 12 11.418 18.193 -21.136 99 HE21 GLN 12 1HE2 GLN 12 8.597 16.383 -22.120 100 HE22 GLN 12 2HE2 GLN 12 9.451 15.097 -22.895 101 H GLU 13 H GLU 13 7.215 16.173 -18.692 102 HA GLU 13 HA GLU 13 7.424 16.265 -15.765 103 HB2 GLU 13 2HB GLU 13 5.290 15.110 -17.566 104 HB3 GLU 13 3HB GLU 13 5.279 14.985 -15.813 105 HG2 GLU 13 2HG GLU 13 5.071 17.354 -15.578 106 HG3 GLU 13 3HG GLU 13 5.301 17.593 -17.310 107 H TYR 14 H TYR 14 7.897 14.466 -14.558 108 HA TYR 14 HA TYR 14 8.487 11.973 -15.989 109 HB2 TYR 14 2HB TYR 14 10.347 13.373 -14.059 110 HB3 TYR 14 3HB TYR 14 10.579 11.734 -14.654 111 HD1 TYR 14 HD1 TYR 14 10.449 15.289 -15.668 112 HD2 TYR 14 HD2 TYR 14 11.537 11.331 -16.785 113 HE1 TYR 14 HE1 TYR 14 11.651 16.178 -17.621 114 HE2 TYR 14 HE2 TYR 14 12.744 12.208 -18.741 115 HH TYR 14 HH TYR 14 12.327 15.202 -19.966 116 H SER 15 H SER 15 7.492 10.325 -15.056 117 HA SER 15 HA SER 15 6.356 10.620 -12.408 118 HB2 SER 15 2HB SER 15 5.201 8.531 -12.876 119 HB3 SER 15 3HB SER 15 5.058 9.602 -14.270 120 HG SER 15 HG SER 15 5.649 7.675 -15.108 121 H VAL 16 H VAL 16 7.059 9.688 -10.579 122 HA VAL 16 HA VAL 16 9.569 8.191 -10.708 123 HB VAL 16 HB VAL 16 8.152 9.421 -8.340 124 HG11 VAL 16 1HG1 VAL 16 9.367 7.880 -7.226 125 HG12 VAL 16 2HG1 VAL 16 10.481 7.629 -8.571 126 HG13 VAL 16 3HG1 VAL 16 10.681 9.021 -7.507 127 HG21 VAL 16 3HG2 VAL 16 9.985 10.473 -10.324 128 HG22 VAL 16 1HG2 VAL 16 9.041 11.319 -9.098 129 HG23 VAL 16 2HG2 VAL 16 10.616 10.641 -8.686 130 H THR 17 H THR 17 9.378 6.055 -10.828 131 HA THR 17 HA THR 17 7.346 4.738 -9.147 132 HB THR 17 HB THR 17 7.552 2.863 -10.958 133 HG1 THR 17 HG1 THR 17 8.062 5.116 -12.606 134 HG21 THR 17 3HG2 THR 17 5.469 3.482 -11.488 135 HG22 THR 17 1HG2 THR 17 6.023 4.991 -12.212 136 HG23 THR 17 2HG2 THR 17 5.734 4.900 -10.474 137 H THR 18 H THR 18 8.769 4.336 -7.456 138 HA THR 18 HA THR 18 10.168 1.947 -7.465 139 HB THR 18 HB THR 18 11.871 2.771 -8.861 140 HG1 THR 18 HG1 THR 18 13.645 2.720 -7.494 141 HG21 THR 18 3HG2 THR 18 11.276 5.312 -7.545 142 HG22 THR 18 1HG2 THR 18 11.901 4.995 -9.163 143 HG23 THR 18 2HG2 THR 18 13.001 5.031 -7.784 144 H LEU 19 H LEU 19 9.780 5.151 -6.144 145 HA LEU 19 HA LEU 19 10.858 4.439 -3.559 146 HB2 LEU 19 2HB LEU 19 9.964 6.859 -4.911 147 HB3 LEU 19 3HB LEU 19 9.448 6.785 -3.227 148 HG LEU 19 HG LEU 19 11.563 8.018 -3.549 149 HD11 LEU 19 1HD1 LEU 19 11.283 7.173 -1.392 150 HD12 LEU 19 2HD1 LEU 19 12.890 6.621 -1.863 151 HD13 LEU 19 3HD1 LEU 19 11.526 5.506 -1.912 152 HD21 LEU 19 3HD2 LEU 19 13.584 6.858 -4.164 153 HD22 LEU 19 1HD2 LEU 19 12.392 6.665 -5.449 154 HD23 LEU 19 2HD2 LEU 19 12.705 5.338 -4.330 155 H SER 20 H SER 20 9.673 4.298 -1.625 156 HA SER 20 HA SER 20 6.770 3.931 -1.928 157 HB2 SER 20 2HB SER 20 7.521 2.123 0.053 158 HB3 SER 20 3HB SER 20 7.052 1.726 -1.601 159 HG SER 20 HG SER 20 9.006 0.951 -1.705 160 H GLU 21 H GLU 21 5.669 3.842 0.264 161 HA GLU 21 HA GLU 21 6.174 6.212 1.663 162 HB2 GLU 21 2HB GLU 21 4.655 3.817 2.703 163 HB3 GLU 21 3HB GLU 21 4.475 5.489 3.217 164 HG2 GLU 21 2HG GLU 21 3.589 6.094 1.049 165 HG3 GLU 21 3HG GLU 21 3.841 4.450 0.465 166 H ASP 22 H ASP 22 7.533 3.072 1.989 167 HA ASP 22 HA ASP 22 8.344 3.240 4.706 168 HB2 ASP 22 2HB ASP 22 8.235 1.194 3.036 169 HB3 ASP 22 3HB ASP 22 9.907 1.648 2.717 170 H ASP 23 H ASP 23 9.360 4.884 1.960 171 HA ASP 23 HA ASP 23 12.069 5.321 2.990 172 HB2 ASP 23 2HB ASP 23 10.949 6.392 0.403 173 HB3 ASP 23 3HB ASP 23 12.639 6.182 0.853 174 H THR 24 H THR 24 12.186 7.911 1.549 175 HA THR 24 HA THR 24 10.464 9.582 3.237 176 HB THR 24 HB THR 24 12.794 11.029 3.228 177 HG1 THR 24 HG1 THR 24 14.453 9.717 3.210 178 HG21 THR 24 3HG2 THR 24 11.046 10.127 5.077 179 HG22 THR 24 1HG2 THR 24 12.555 10.947 5.478 180 HG23 THR 24 2HG2 THR 24 12.473 9.186 5.510 181 H VAL 25 H VAL 25 10.602 11.927 2.564 182 HA VAL 25 HA VAL 25 9.985 12.173 -0.164 183 HB VAL 25 HB VAL 25 10.773 14.401 1.718 184 HG11 VAL 25 1HG1 VAL 25 9.655 14.292 -1.011 185 HG12 VAL 25 2HG1 VAL 25 8.912 15.454 0.090 186 HG13 VAL 25 3HG1 VAL 25 10.644 15.529 -0.236 187 HG21 VAL 25 3HG2 VAL 25 8.954 13.874 2.889 188 HG22 VAL 25 1HG2 VAL 25 7.998 14.319 1.475 189 HG23 VAL 25 2HG2 VAL 25 8.484 12.641 1.719 190 H LEU 26 H LEU 26 12.891 13.095 1.656 191 HA LEU 26 HA LEU 26 14.293 14.290 -0.448 192 HB2 LEU 26 2HB LEU 26 15.993 14.461 1.013 193 HB3 LEU 26 3HB LEU 26 14.760 13.967 2.172 194 HG LEU 26 HG LEU 26 15.663 11.555 1.554 195 HD11 LEU 26 1HD1 LEU 26 17.808 11.404 0.799 196 HD12 LEU 26 2HD1 LEU 26 18.251 13.003 1.394 197 HD13 LEU 26 3HD1 LEU 26 17.290 12.845 -0.076 198 HD21 LEU 26 3HD2 LEU 26 15.632 12.747 3.772 199 HD22 LEU 26 1HD2 LEU 26 17.246 13.345 3.384 200 HD23 LEU 26 2HD2 LEU 26 16.962 11.611 3.537 201 H ASP 27 H ASP 27 13.787 10.943 0.364 202 HA ASP 27 HA ASP 27 15.885 9.874 -1.236 203 HB2 ASP 27 2HB ASP 27 14.247 8.830 0.657 204 HB3 ASP 27 3HB ASP 27 13.481 8.209 -0.803 205 H LEU 28 H LEU 28 12.539 10.739 -1.827 206 HA LEU 28 HA LEU 28 12.478 9.532 -4.444 207 HB2 LEU 28 2HB LEU 28 10.525 9.999 -2.775 208 HB3 LEU 28 3HB LEU 28 10.521 11.593 -3.526 209 HG LEU 28 HG LEU 28 10.446 9.346 -5.417 210 HD11 LEU 28 1HD1 LEU 28 9.012 8.725 -3.322 211 HD12 LEU 28 2HD1 LEU 28 8.361 8.507 -4.946 212 HD13 LEU 28 3HD1 LEU 28 7.891 9.912 -3.989 213 HD21 LEU 28 3HD2 LEU 28 10.092 11.963 -5.656 214 HD22 LEU 28 1HD2 LEU 28 8.426 11.517 -5.288 215 HD23 LEU 28 2HD2 LEU 28 9.241 10.807 -6.682 216 H LYS 29 H LYS 29 12.553 12.849 -3.167 217 HA LYS 29 HA LYS 29 12.620 14.164 -5.646 218 HB2 LYS 29 2HB LYS 29 13.206 14.870 -2.835 219 HB3 LYS 29 3HB LYS 29 13.976 15.882 -4.049 220 HG2 LYS 29 2HG LYS 29 12.035 17.029 -3.767 221 HG3 LYS 29 3HG LYS 29 11.538 15.929 -5.055 222 HD2 LYS 29 2HD LYS 29 11.203 14.932 -2.297 223 HD3 LYS 29 3HD LYS 29 10.156 16.273 -2.769 224 HE2 LYS 29 2HE LYS 29 10.271 14.315 -4.868 225 HE3 LYS 29 3HE LYS 29 9.827 13.544 -3.346 226 HZ1 LYS 29 3HZ LYS 29 8.490 16.022 -4.225 227 HZ2 LYS 29 1HZ LYS 29 7.938 14.844 -3.144 228 HZ3 LYS 29 2HZ LYS 29 7.981 14.516 -4.803 229 H GLN 30 H GLN 30 15.317 13.457 -3.417 230 HA GLN 30 HA GLN 30 17.371 14.326 -5.092 231 HB2 GLN 30 2HB GLN 30 18.829 13.425 -3.553 232 HB3 GLN 30 3HB GLN 30 17.371 13.562 -2.580 233 HG2 GLN 30 2HG GLN 30 17.909 11.441 -2.047 234 HG3 GLN 30 3HG GLN 30 17.000 11.099 -3.518 235 HE21 GLN 30 1HE2 GLN 30 20.297 12.202 -2.792 236 HE22 GLN 30 2HE2 GLN 30 21.091 11.015 -3.764 237 H PHE 31 H PHE 31 15.449 11.473 -5.209 238 HA PHE 31 HA PHE 31 17.286 9.907 -6.760 239 HB2 PHE 31 2HB PHE 31 15.711 8.684 -5.466 240 HB3 PHE 31 3HB PHE 31 14.358 9.613 -6.104 241 HD1 PHE 31 HD2 PHE 31 16.885 7.056 -6.931 242 HD2 PHE 31 HD1 PHE 31 13.282 8.992 -8.111 243 HE1 PHE 31 HE2 PHE 31 16.542 5.351 -8.671 244 HE2 PHE 31 HE1 PHE 31 12.933 7.289 -9.852 245 HZ PHE 31 HZ PHE 31 14.565 5.466 -10.135 246 H LEU 32 H LEU 32 14.200 11.526 -7.518 247 HA LEU 32 HA LEU 32 14.400 11.108 -10.312 248 HB2 LEU 32 2HB LEU 32 12.622 12.868 -10.432 249 HB3 LEU 32 3HB LEU 32 12.251 11.486 -9.404 250 HG LEU 32 HG LEU 32 13.243 13.173 -7.559 251 HD11 LEU 32 1HD1 LEU 32 12.619 14.802 -9.893 252 HD12 LEU 32 2HD1 LEU 32 13.535 15.202 -8.441 253 HD13 LEU 32 3HD1 LEU 32 11.775 15.317 -8.432 254 HD21 LEU 32 3HD2 LEU 32 10.876 13.760 -7.074 255 HD22 LEU 32 1HD2 LEU 32 11.140 12.038 -7.350 256 HD23 LEU 32 2HD2 LEU 32 10.423 13.034 -8.617 257 H LYS 33 H LYS 33 15.202 13.847 -8.218 258 HA LYS 33 HA LYS 33 15.838 15.732 -10.152 259 HB2 LYS 33 2HB LYS 33 16.084 16.850 -8.230 260 HB3 LYS 33 3HB LYS 33 16.314 15.362 -7.321 261 HG2 LYS 33 2HG LYS 33 18.557 16.476 -8.947 262 HG3 LYS 33 3HG LYS 33 18.186 17.153 -7.359 263 HD2 LYS 33 2HD LYS 33 18.856 15.278 -6.252 264 HD3 LYS 33 3HD LYS 33 18.385 14.201 -7.569 265 HE2 LYS 33 2HE LYS 33 20.330 15.058 -8.870 266 HE3 LYS 33 3HE LYS 33 20.826 15.966 -7.443 267 HZ1 LYS 33 3HZ LYS 33 21.486 14.098 -6.367 268 HZ2 LYS 33 1HZ LYS 33 21.745 13.566 -7.952 269 HZ3 LYS 33 2HZ LYS 33 20.346 13.102 -7.123 270 H THR 34 H THR 34 17.585 12.914 -9.130 271 HA THR 34 HA THR 34 20.090 13.716 -10.303 272 HB THR 34 HB THR 34 19.453 11.866 -8.410 273 HG1 THR 34 HG1 THR 34 21.764 11.636 -10.050 274 HG21 THR 34 3HG2 THR 34 19.707 9.669 -9.211 275 HG22 THR 34 1HG2 THR 34 20.254 10.218 -10.795 276 HG23 THR 34 2HG2 THR 34 18.566 10.421 -10.326 277 H LEU 35 H LEU 35 17.214 12.128 -11.361 278 HA LEU 35 HA LEU 35 18.391 10.811 -13.622 279 HB2 LEU 35 2HB LEU 35 15.486 11.498 -13.348 280 HB3 LEU 35 3HB LEU 35 16.222 10.134 -14.188 281 HG LEU 35 HG LEU 35 16.058 10.490 -11.195 282 HD11 LEU 35 1HD1 LEU 35 14.255 9.114 -11.168 283 HD12 LEU 35 2HD1 LEU 35 14.742 8.258 -12.630 284 HD13 LEU 35 3HD1 LEU 35 13.995 9.851 -12.749 285 HD21 LEU 35 3HD2 LEU 35 18.085 9.286 -12.057 286 HD22 LEU 35 1HD2 LEU 35 16.993 8.088 -12.753 287 HD23 LEU 35 2HD2 LEU 35 17.038 8.330 -11.006 288 H THR 36 H THR 36 16.089 13.527 -13.366 289 HA THR 36 HA THR 36 17.386 14.747 -15.702 290 HB THR 36 HB THR 36 15.423 13.679 -16.608 291 HG1 THR 36 HG1 THR 36 15.438 15.526 -17.672 292 HG21 THR 36 3HG2 THR 36 13.425 15.212 -15.128 293 HG22 THR 36 1HG2 THR 36 14.305 14.058 -14.125 294 HG23 THR 36 2HG2 THR 36 13.446 13.503 -15.562 295 H GLY 37 H GLY 37 15.619 15.071 -12.724 296 HA2 GLY 37 2HA GLY 37 15.112 17.842 -12.793 297 HA3 GLY 37 3HA GLY 37 15.244 16.863 -11.340 298 H VAL 38 H VAL 38 16.139 19.198 -10.856 299 HA VAL 38 HA VAL 38 19.050 19.161 -11.320 300 HB VAL 38 HB VAL 38 18.286 21.171 -12.245 301 HG11 VAL 38 1HG1 VAL 38 16.841 22.641 -10.464 302 HG12 VAL 38 2HG1 VAL 38 16.150 21.664 -11.762 303 HG13 VAL 38 3HG1 VAL 38 16.265 21.008 -10.128 304 HG21 VAL 38 3HG2 VAL 38 20.176 21.476 -10.707 305 HG22 VAL 38 1HG2 VAL 38 19.164 22.918 -10.798 306 HG23 VAL 38 2HG2 VAL 38 19.047 21.845 -9.403 307 H LEU 39 H LEU 39 20.424 19.214 -9.612 308 HA LEU 39 HA LEU 39 19.642 18.273 -7.128 309 HB2 LEU 39 2HB LEU 39 21.902 19.362 -6.399 310 HB3 LEU 39 3HB LEU 39 21.878 17.989 -7.504 311 HG LEU 39 HG LEU 39 23.466 19.933 -8.017 312 HD11 LEU 39 1HD1 LEU 39 22.018 18.153 -9.645 313 HD12 LEU 39 2HD1 LEU 39 23.561 18.932 -9.991 314 HD13 LEU 39 3HD1 LEU 39 22.054 19.700 -10.491 315 HD21 LEU 39 3HD2 LEU 39 20.867 21.150 -8.947 316 HD22 LEU 39 1HD2 LEU 39 22.481 21.774 -9.288 317 HD23 LEU 39 2HD2 LEU 39 21.879 21.744 -7.630 318 HA PRO 40 HA PRO 40 17.981 21.704 -4.941 319 HB2 PRO 40 2HB PRO 40 18.639 21.019 -2.398 320 HB3 PRO 40 3HB PRO 40 17.371 20.200 -3.316 321 HG2 PRO 40 2HG PRO 40 20.205 19.364 -2.840 322 HG3 PRO 40 3HG PRO 40 18.727 18.385 -2.790 323 HD2 PRO 40 2HD PRO 40 20.397 18.393 -4.922 324 HD3 PRO 40 3HD PRO 40 18.643 18.167 -5.083 325 H GLU 41 H GLU 41 21.351 20.893 -4.680 326 HA GLU 41 HA GLU 41 22.306 22.897 -3.022 327 HB2 GLU 41 2HB GLU 41 23.774 21.154 -3.776 328 HB3 GLU 41 3HB GLU 41 23.558 21.624 -5.456 329 HG2 GLU 41 2HG GLU 41 25.730 22.292 -4.341 330 HG3 GLU 41 3HG GLU 41 24.853 23.553 -5.207 331 H ARG 42 H ARG 42 21.455 23.028 -6.439 332 HA ARG 42 HA ARG 42 22.079 25.899 -6.468 333 HB2 ARG 42 2HB ARG 42 21.992 23.780 -8.554 334 HB3 ARG 42 3HB ARG 42 21.540 25.409 -9.037 335 HG2 ARG 42 2HG ARG 42 23.703 25.783 -9.355 336 HG3 ARG 42 3HG ARG 42 23.870 25.774 -7.598 337 HD2 ARG 42 2HD ARG 42 24.257 23.331 -7.690 338 HD3 ARG 42 3HD ARG 42 24.192 23.416 -9.450 339 HE ARG 42 HE ARG 42 26.111 25.212 -8.816 340 HH11 ARG 42 1HH1 ARG 42 25.582 21.877 -7.970 341 HH12 ARG 42 2HH1 ARG 42 27.269 21.513 -7.814 342 HH21 ARG 42 1HH2 ARG 42 28.335 24.746 -8.615 343 HH22 ARG 42 2HH2 ARG 42 28.834 23.146 -8.181 344 H GLN 43 H GLN 43 19.530 23.553 -7.151 345 HA GLN 43 HA GLN 43 17.620 25.714 -7.622 346 HB2 GLN 43 2HB GLN 43 16.251 24.171 -8.657 347 HB3 GLN 43 3HB GLN 43 17.839 23.501 -9.004 348 HG2 GLN 43 2HG GLN 43 16.581 21.666 -8.344 349 HG3 GLN 43 3HG GLN 43 17.505 22.089 -6.903 350 HE21 GLN 43 1HE2 GLN 43 14.571 23.508 -8.283 351 HE22 GLN 43 2HE2 GLN 43 13.581 23.249 -6.891 352 H LYS 44 H LYS 44 15.528 25.667 -6.531 353 HA LYS 44 HA LYS 44 15.658 24.480 -3.840 354 HB2 LYS 44 2HB LYS 44 14.584 26.503 -2.942 355 HB3 LYS 44 3HB LYS 44 16.150 26.860 -3.659 356 HG2 LYS 44 2HG LYS 44 14.930 28.576 -4.516 357 HG3 LYS 44 3HG LYS 44 14.676 27.374 -5.783 358 HD2 LYS 44 2HD LYS 44 12.482 27.286 -5.377 359 HD3 LYS 44 3HD LYS 44 12.739 27.116 -3.639 360 HE2 LYS 44 2HE LYS 44 12.788 29.436 -3.309 361 HE3 LYS 44 3HE LYS 44 13.045 29.763 -5.022 362 HZ1 LYS 44 3HZ LYS 44 10.864 30.077 -5.138 363 HZ2 LYS 44 1HZ LYS 44 10.599 29.447 -3.590 364 HZ3 LYS 44 2HZ LYS 44 10.670 28.410 -4.924 365 H LEU 45 H LEU 45 13.819 23.548 -3.091 366 HA LEU 45 HA LEU 45 11.788 22.867 -4.939 367 HB2 LEU 45 2HB LEU 45 12.058 22.525 -1.966 368 HB3 LEU 45 3HB LEU 45 10.636 21.973 -2.849 369 HG LEU 45 HG LEU 45 12.026 20.084 -2.535 370 HD11 LEU 45 1HD1 LEU 45 12.931 20.630 -5.274 371 HD12 LEU 45 2HD1 LEU 45 11.209 20.880 -4.991 372 HD13 LEU 45 3HD1 LEU 45 11.941 19.314 -4.642 373 HD21 LEU 45 3HD2 LEU 45 14.364 20.003 -3.116 374 HD22 LEU 45 1HD2 LEU 45 14.088 21.344 -2.004 375 HD23 LEU 45 2HD2 LEU 45 14.308 21.658 -3.726 376 H LEU 46 H LEU 46 9.856 23.756 -5.360 377 HA LEU 46 HA LEU 46 9.246 26.330 -4.198 378 HB2 LEU 46 2HB LEU 46 7.929 24.683 -6.345 379 HB3 LEU 46 3HB LEU 46 7.305 26.240 -5.803 380 HG LEU 46 HG LEU 46 9.745 27.040 -6.429 381 HD11 LEU 46 1HD1 LEU 46 9.604 25.248 -8.706 382 HD12 LEU 46 2HD1 LEU 46 9.910 24.394 -7.194 383 HD13 LEU 46 3HD1 LEU 46 10.983 25.698 -7.702 384 HD21 LEU 46 3HD2 LEU 46 8.139 26.607 -8.850 385 HD22 LEU 46 1HD2 LEU 46 8.737 28.103 -8.132 386 HD23 LEU 46 2HD2 LEU 46 7.275 27.345 -7.500 387 H GLY 47 H GLY 47 7.744 23.116 -4.329 388 HA2 GLY 47 2HA GLY 47 5.824 24.005 -2.275 389 HA3 GLY 47 3HA GLY 47 5.579 22.645 -3.362 390 H LEU 48 H LEU 48 8.485 23.400 -1.498 391 HA LEU 48 HA LEU 48 9.094 20.880 -0.671 392 HB2 LEU 48 2HB LEU 48 10.167 23.286 -0.223 393 HB3 LEU 48 3HB LEU 48 9.452 23.003 1.363 394 HG LEU 48 HG LEU 48 11.581 21.380 -0.017 395 HD11 LEU 48 1HD1 LEU 48 12.732 23.029 1.041 396 HD12 LEU 48 2HD1 LEU 48 12.559 21.907 2.390 397 HD13 LEU 48 3HD1 LEU 48 11.474 23.290 2.249 398 HD21 LEU 48 3HD2 LEU 48 10.030 20.757 2.492 399 HD22 LEU 48 1HD2 LEU 48 11.515 19.942 2.002 400 HD23 LEU 48 2HD2 LEU 48 10.068 19.812 1.002 401 H LYS 49 H LYS 49 6.718 23.050 0.729 402 HA LYS 49 HA LYS 49 6.007 20.975 2.690 403 HB2 LYS 49 2HB LYS 49 4.577 23.177 3.444 404 HB3 LYS 49 3HB LYS 49 6.146 22.726 4.098 405 HG2 LYS 49 2HG LYS 49 7.239 24.179 2.454 406 HG3 LYS 49 3HG LYS 49 5.656 24.647 1.830 407 HD2 LYS 49 2HD LYS 49 5.239 25.230 4.384 408 HD3 LYS 49 3HD LYS 49 6.997 25.388 4.379 409 HE2 LYS 49 2HE LYS 49 5.520 26.694 2.169 410 HE3 LYS 49 3HE LYS 49 5.349 27.405 3.773 411 HZ1 LYS 49 3HZ LYS 49 7.610 27.415 1.995 412 HZ2 LYS 49 1HZ LYS 49 8.010 26.985 3.582 413 HZ3 LYS 49 2HZ LYS 49 7.236 28.457 3.275 414 H VAL 50 H VAL 50 3.872 20.299 2.902 415 HA VAL 50 HA VAL 50 1.906 21.318 0.996 416 HB VAL 50 HB VAL 50 3.027 19.418 -0.130 417 HG11 VAL 50 1HG1 VAL 50 1.971 17.838 2.211 418 HG12 VAL 50 2HG1 VAL 50 2.637 17.135 0.735 419 HG13 VAL 50 3HG1 VAL 50 3.663 18.104 1.794 420 HG21 VAL 50 3HG2 VAL 50 0.366 18.297 0.449 421 HG22 VAL 50 1HG2 VAL 50 0.390 19.991 -0.042 422 HG23 VAL 50 2HG2 VAL 50 1.095 18.760 -1.089 423 H LYS 51 H LYS 51 -0.226 21.032 1.621 424 HA LYS 51 HA LYS 51 -1.945 20.896 3.107 425 HB2 LYS 51 2HB LYS 51 -0.456 18.412 3.975 426 HB3 LYS 51 3HB LYS 51 -2.126 18.790 4.378 427 HG2 LYS 51 2HG LYS 51 -1.996 18.983 1.603 428 HG3 LYS 51 3HG LYS 51 -1.039 17.558 2.014 429 HD2 LYS 51 2HD LYS 51 -2.862 16.553 3.152 430 HD3 LYS 51 3HD LYS 51 -3.797 18.050 3.117 431 HE2 LYS 51 2HE LYS 51 -3.175 17.478 0.447 432 HE3 LYS 51 3HE LYS 51 -3.645 15.938 1.166 433 HZ1 LYS 51 3HZ LYS 51 -5.258 18.417 1.404 434 HZ2 LYS 51 1HZ LYS 51 -5.718 16.847 1.834 435 HZ3 LYS 51 2HZ LYS 51 -5.508 17.250 0.205 436 H GLY 52 H GLY 52 0.411 22.426 3.883 437 HA2 GLY 52 2HA GLY 52 0.818 23.759 5.746 438 HA3 GLY 52 3HA GLY 52 -0.247 22.724 6.685 439 H LYS 53 H LYS 53 1.577 20.498 5.359 440 HA LYS 53 HA LYS 53 3.280 20.259 7.676 441 HB2 LYS 53 2HB LYS 53 2.849 18.516 5.250 442 HB3 LYS 53 3HB LYS 53 4.009 18.126 6.513 443 HG2 LYS 53 2HG LYS 53 1.042 18.465 6.902 444 HG3 LYS 53 3HG LYS 53 1.904 16.928 6.808 445 HD2 LYS 53 2HD LYS 53 3.286 18.328 8.747 446 HD3 LYS 53 3HD LYS 53 1.602 18.766 9.044 447 HE2 LYS 53 2HE LYS 53 0.967 16.542 9.398 448 HE3 LYS 53 3HE LYS 53 2.424 15.911 8.632 449 HZ1 LYS 53 3HZ LYS 53 3.549 17.205 10.605 450 HZ2 LYS 53 1HZ LYS 53 2.966 15.630 10.806 451 HZ3 LYS 53 2HZ LYS 53 2.048 16.946 11.341 452 HA PRO 54 HA PRO 54 6.954 21.994 6.002 453 HB2 PRO 54 2HB PRO 54 8.823 20.552 7.343 454 HB3 PRO 54 3HB PRO 54 7.843 21.807 8.112 455 HG2 PRO 54 2HG PRO 54 7.481 18.835 8.143 456 HG3 PRO 54 3HG PRO 54 7.325 19.995 9.475 457 HD2 PRO 54 2HD PRO 54 5.182 18.992 8.159 458 HD3 PRO 54 3HD PRO 54 5.203 20.632 8.839 459 H ALA 55 H ALA 55 6.597 18.486 5.980 460 HA ALA 55 HA ALA 55 7.617 16.862 4.698 461 HB1 ALA 55 1HB ALA 55 5.825 17.408 3.277 462 HB2 ALA 55 2HB ALA 55 6.593 18.905 2.747 463 HB3 ALA 55 3HB ALA 55 7.245 17.350 2.232 464 H GLU 56 H GLU 56 9.593 18.495 5.784 465 HA GLU 56 HA GLU 56 11.384 19.634 3.973 466 HB2 GLU 56 2HB GLU 56 11.506 19.890 6.437 467 HB3 GLU 56 3HB GLU 56 12.050 18.223 6.563 468 HG2 GLU 56 2HG GLU 56 14.118 18.996 6.429 469 HG3 GLU 56 3HG GLU 56 13.789 19.359 4.736 470 H ASN 57 H ASN 57 12.158 16.615 5.668 471 HA ASN 57 HA ASN 57 12.621 15.185 3.210 472 HB2 ASN 57 2HB ASN 57 15.083 14.741 4.100 473 HB3 ASN 57 3HB ASN 57 14.721 16.102 3.043 474 HD21 ASN 57 1HD2 ASN 57 14.786 15.265 6.488 475 HD22 ASN 57 2HD2 ASN 57 15.441 16.774 7.016 476 H ASP 58 H ASP 58 12.922 15.361 6.708 477 HA ASP 58 HA ASP 58 13.313 12.587 7.148 478 HB2 ASP 58 2HB ASP 58 13.184 14.927 8.728 479 HB3 ASP 58 3HB ASP 58 11.958 13.829 9.358 480 H VAL 59 H VAL 59 10.681 14.226 5.964 481 HA VAL 59 HA VAL 59 8.615 12.660 7.235 482 HB VAL 59 HB VAL 59 8.339 14.385 4.776 483 HG11 VAL 59 1HG1 VAL 59 6.375 13.388 6.833 484 HG12 VAL 59 2HG1 VAL 59 5.998 14.597 5.605 485 HG13 VAL 59 3HG1 VAL 59 6.444 12.960 5.124 486 HG21 VAL 59 3HG2 VAL 59 7.376 15.879 6.855 487 HG22 VAL 59 1HG2 VAL 59 8.802 15.124 7.567 488 HG23 VAL 59 2HG2 VAL 59 8.955 16.088 6.098 489 H LYS 60 H LYS 60 7.372 11.050 6.286 490 HA LYS 60 HA LYS 60 8.704 9.614 4.119 491 HB2 LYS 60 2HB LYS 60 6.522 8.806 6.045 492 HB3 LYS 60 3HB LYS 60 7.111 7.772 4.750 493 HG2 LYS 60 2HG LYS 60 9.433 8.164 5.830 494 HG3 LYS 60 3HG LYS 60 8.496 8.651 7.245 495 HD2 LYS 60 2HD LYS 60 7.231 6.367 6.659 496 HD3 LYS 60 3HD LYS 60 8.823 5.982 6.001 497 HE2 LYS 60 2HE LYS 60 9.004 5.247 8.185 498 HE3 LYS 60 3HE LYS 60 9.695 6.866 8.279 499 HZ1 LYS 60 3HZ LYS 60 6.846 6.764 8.720 500 HZ2 LYS 60 1HZ LYS 60 8.049 7.572 9.593 501 HZ3 LYS 60 2HZ LYS 60 7.749 5.932 9.883 502 H LEU 61 H LEU 61 7.569 8.837 2.287 503 HA LEU 61 HA LEU 61 5.976 10.649 0.961 504 HB2 LEU 61 2HB LEU 61 5.780 7.685 0.508 505 HB3 LEU 61 3HB LEU 61 5.587 8.983 -0.669 506 HG LEU 61 HG LEU 61 8.166 8.102 0.627 507 HD11 LEU 61 1HD1 LEU 61 7.480 8.026 -2.290 508 HD12 LEU 61 2HD1 LEU 61 7.072 6.690 -1.214 509 HD13 LEU 61 3HD1 LEU 61 8.756 7.169 -1.425 510 HD21 LEU 61 3HD2 LEU 61 7.427 10.603 -0.562 511 HD22 LEU 61 1HD2 LEU 61 8.637 9.798 -1.562 512 HD23 LEU 61 2HD2 LEU 61 8.969 10.113 0.141 513 H GLY 62 H GLY 62 4.955 7.826 2.857 514 HA2 GLY 62 2HA GLY 62 2.162 8.285 2.376 515 HA3 GLY 62 3HA GLY 62 2.850 7.143 3.521 516 H ALA 63 H ALA 63 4.427 9.712 4.443 517 HA ALA 63 HA ALA 63 2.580 10.305 6.586 518 HB1 ALA 63 1HB ALA 63 5.284 11.544 6.122 519 HB2 ALA 63 2HB ALA 63 4.384 11.435 7.635 520 HB3 ALA 63 3HB ALA 63 5.054 9.978 6.900 521 H LEU 64 H LEU 64 3.875 11.911 3.746 522 HA LEU 64 HA LEU 64 2.910 14.509 4.386 523 HB2 LEU 64 2HB LEU 64 3.319 13.587 1.576 524 HB3 LEU 64 3HB LEU 64 3.654 15.160 2.295 525 HG LEU 64 HG LEU 64 5.289 12.959 3.349 526 HD11 LEU 64 1HD1 LEU 64 4.917 12.592 0.780 527 HD12 LEU 64 2HD1 LEU 64 6.526 12.454 1.488 528 HD13 LEU 64 3HD1 LEU 64 6.059 13.929 0.640 529 HD21 LEU 64 3HD2 LEU 64 5.464 15.498 3.728 530 HD22 LEU 64 1HD2 LEU 64 6.207 15.538 2.129 531 HD23 LEU 64 2HD2 LEU 64 6.947 14.592 3.421 532 H LYS 65 H LYS 65 1.486 11.681 2.999 533 HA LYS 65 HA LYS 65 -0.632 11.187 2.333 534 HB2 LYS 65 2HB LYS 65 -1.424 13.831 3.560 535 HB3 LYS 65 3HB LYS 65 -2.460 12.440 3.268 536 HG2 LYS 65 2HG LYS 65 -0.142 12.489 5.189 537 HG3 LYS 65 3HG LYS 65 -1.838 12.698 5.633 538 HD2 LYS 65 2HD LYS 65 -2.340 10.466 4.762 539 HD3 LYS 65 3HD LYS 65 -0.646 10.260 4.309 540 HE2 LYS 65 2HE LYS 65 -0.962 9.128 6.376 541 HE3 LYS 65 3HE LYS 65 -0.061 10.603 6.726 542 HZ1 LYS 65 3HZ LYS 65 -2.168 9.872 8.120 543 HZ2 LYS 65 1HZ LYS 65 -2.970 10.744 6.911 544 HZ3 LYS 65 2HZ LYS 65 -1.788 11.499 7.856 545 H LEU 66 H LEU 66 1.092 12.517 0.506 546 HA LEU 66 HA LEU 66 -0.601 14.397 -0.940 547 HB2 LEU 66 2HB LEU 66 2.235 13.761 -0.841 548 HB3 LEU 66 3HB LEU 66 1.635 13.930 -2.490 549 HG LEU 66 HG LEU 66 1.360 16.020 -0.331 550 HD11 LEU 66 1HD1 LEU 66 2.992 17.154 -2.088 551 HD12 LEU 66 2HD1 LEU 66 3.460 15.475 -2.353 552 HD13 LEU 66 3HD1 LEU 66 3.589 16.182 -0.743 553 HD21 LEU 66 3HD2 LEU 66 0.060 15.661 -2.839 554 HD22 LEU 66 1HD2 LEU 66 1.134 17.055 -2.954 555 HD23 LEU 66 2HD2 LEU 66 -0.096 16.992 -1.692 556 H LYS 67 H LYS 67 -1.182 14.094 -3.143 557 HA LYS 67 HA LYS 67 -2.099 11.476 -3.738 558 HB2 LYS 67 2HB LYS 67 -2.234 14.142 -4.998 559 HB3 LYS 67 3HB LYS 67 -2.342 12.782 -6.108 560 HG2 LYS 67 2HG LYS 67 -4.370 12.135 -5.342 561 HG3 LYS 67 3HG LYS 67 -4.039 12.664 -3.690 562 HD2 LYS 67 2HD LYS 67 -4.070 15.048 -4.904 563 HD3 LYS 67 3HD LYS 67 -5.153 14.169 -5.986 564 HE2 LYS 67 2HE LYS 67 -6.591 13.584 -4.144 565 HE3 LYS 67 3HE LYS 67 -5.464 14.293 -2.989 566 HZ1 LYS 67 3HZ LYS 67 -6.128 16.382 -3.483 567 HZ2 LYS 67 1HZ LYS 67 -7.562 15.593 -3.913 568 HZ3 LYS 67 2HZ LYS 67 -6.449 16.035 -5.107 569 HA PRO 68 HA PRO 68 1.167 9.692 -6.061 570 HB2 PRO 68 2HB PRO 68 -0.153 8.458 -8.087 571 HB3 PRO 68 3HB PRO 68 -0.198 7.879 -6.418 572 HG2 PRO 68 2HG PRO 68 -2.209 9.521 -7.908 573 HG3 PRO 68 3HG PRO 68 -2.473 8.150 -6.815 574 HD2 PRO 68 2HD PRO 68 -2.799 10.722 -6.033 575 HD3 PRO 68 3HD PRO 68 -2.242 9.451 -4.926 576 H ASN 69 H ASN 69 -1.179 11.533 -7.967 577 HA ASN 69 HA ASN 69 0.616 11.879 -10.187 578 HB2 ASN 69 2HB ASN 69 -1.133 13.379 -11.072 579 HB3 ASN 69 3HB ASN 69 -1.796 11.828 -10.565 580 HD21 ASN 69 1HD2 ASN 69 -3.644 11.991 -9.548 581 HD22 ASN 69 2HD2 ASN 69 -4.145 13.298 -8.535 582 H THR 70 H THR 70 0.181 13.378 -7.175 583 HA THR 70 HA THR 70 0.551 16.001 -7.318 584 HB THR 70 HB THR 70 2.265 14.121 -5.687 585 HG1 THR 70 HG1 THR 70 0.070 15.720 -4.849 586 HG21 THR 70 3HG2 THR 70 2.470 16.215 -4.203 587 HG22 THR 70 1HG2 THR 70 2.034 17.116 -5.655 588 HG23 THR 70 2HG2 THR 70 3.488 16.117 -5.640 589 H LYS 71 H LYS 71 1.725 17.357 -8.488 590 HA LYS 71 HA LYS 71 4.139 16.396 -9.814 591 HB2 LYS 71 2HB LYS 71 2.865 19.105 -10.159 592 HB3 LYS 71 3HB LYS 71 3.934 18.258 -11.270 593 HG2 LYS 71 2HG LYS 71 2.090 17.643 -12.344 594 HG3 LYS 71 3HG LYS 71 1.813 16.526 -11.006 595 HD2 LYS 71 2HD LYS 71 0.341 18.018 -9.930 596 HD3 LYS 71 3HD LYS 71 0.856 19.376 -10.934 597 HE2 LYS 71 2HE LYS 71 -0.171 18.350 -12.882 598 HE3 LYS 71 3HE LYS 71 -0.627 16.942 -11.925 599 HZ1 LYS 71 3HZ LYS 71 -1.537 19.514 -10.925 600 HZ2 LYS 71 1HZ LYS 71 -2.342 18.027 -10.982 601 HZ3 LYS 71 2HZ LYS 71 -2.250 18.992 -12.368 602 H ILE 72 H ILE 72 6.152 17.367 -9.616 603 HA ILE 72 HA ILE 72 6.456 19.143 -7.283 604 HB ILE 72 HB ILE 72 8.493 17.193 -8.363 605 HG12 ILE 72 2HG1 ILE 72 6.608 16.012 -7.349 606 HG13 ILE 72 3HG1 ILE 72 8.032 15.889 -6.322 607 HG21 ILE 72 1HG2 ILE 72 8.485 19.126 -6.074 608 HG22 ILE 72 2HG2 ILE 72 9.517 17.697 -6.058 609 HG23 ILE 72 3HG2 ILE 72 9.697 18.901 -7.334 610 HD11 ILE 72 3HD1 ILE 72 5.726 17.778 -5.911 611 HD12 ILE 72 1HD1 ILE 72 6.014 16.282 -5.023 612 HD13 ILE 72 2HD1 ILE 72 7.143 17.630 -4.873 613 H MET 73 H MET 73 7.354 21.077 -7.600 614 HA MET 73 HA MET 73 8.461 21.662 -10.253 615 HB2 MET 73 2HB MET 73 7.520 23.555 -8.091 616 HB3 MET 73 3HB MET 73 8.071 24.022 -9.694 617 HG2 MET 73 2HG MET 73 6.170 23.245 -10.725 618 HG3 MET 73 3HG MET 73 5.800 22.113 -9.427 619 HE1 MET 73 3HE MET 73 4.109 24.543 -11.119 620 HE2 MET 73 1HE MET 73 3.783 25.959 -10.119 621 HE3 MET 73 2HE MET 73 5.387 25.720 -10.813 622 H MET 74 H MET 74 10.484 22.531 -10.534 623 HA MET 74 HA MET 74 12.138 22.932 -8.142 624 HB2 MET 74 2HB MET 74 12.875 21.259 -10.549 625 HB3 MET 74 3HB MET 74 14.016 21.761 -9.308 626 HG2 MET 74 2HG MET 74 12.720 20.543 -7.629 627 HG3 MET 74 3HG MET 74 11.592 20.030 -8.882 628 HE1 MET 74 3HE MET 74 13.176 17.418 -10.852 629 HE2 MET 74 1HE MET 74 12.154 18.855 -10.871 630 HE3 MET 74 2HE MET 74 13.831 18.960 -11.406 631 H MET 75 H MET 75 13.005 24.890 -8.197 632 HA MET 75 HA MET 75 13.484 26.144 -10.818 633 HB2 MET 75 2HB MET 75 12.964 27.415 -8.125 634 HB3 MET 75 3HB MET 75 13.355 28.306 -9.590 635 HG2 MET 75 2HG MET 75 11.131 26.486 -9.969 636 HG3 MET 75 3HG MET 75 10.837 27.655 -8.683 637 HE1 MET 75 3HE MET 75 9.042 27.424 -10.667 638 HE2 MET 75 1HE MET 75 8.700 29.152 -10.761 639 HE3 MET 75 2HE MET 75 9.170 28.267 -12.212 640 H GLY 76 H GLY 76 15.527 26.456 -11.407 641 HA2 GLY 76 2HA GLY 76 17.582 27.559 -10.001 642 HA3 GLY 76 3HA GLY 76 17.675 25.853 -9.589 643 H THR 77 H THR 77 19.726 25.723 -10.591 644 HA THR 77 HA THR 77 19.552 25.506 -13.517 645 HB THR 77 HB THR 77 20.721 27.576 -13.151 646 HG1 THR 77 HG1 THR 77 21.596 26.124 -14.746 647 HG21 THR 77 3HG2 THR 77 23.084 26.672 -11.806 648 HG22 THR 77 1HG2 THR 77 21.669 26.306 -10.820 649 HG23 THR 77 2HG2 THR 77 21.972 27.961 -11.349 650 H ARG 78 H ARG 78 20.663 23.816 -14.427 651 HA ARG 78 HA ARG 78 21.191 21.565 -12.836 652 HB2 ARG 78 2HB ARG 78 21.713 22.280 -15.696 653 HB3 ARG 78 3HB ARG 78 22.425 20.816 -15.031 654 HG2 ARG 78 2HG ARG 78 20.521 19.843 -15.666 655 HG3 ARG 78 3HG ARG 78 19.836 20.586 -14.220 656 HD2 ARG 78 2HD ARG 78 18.344 21.387 -15.725 657 HD3 ARG 78 3HD ARG 78 19.574 22.637 -15.908 658 HE ARG 78 HE ARG 78 19.991 20.442 -17.685 659 HH11 ARG 78 1HH1 ARG 78 18.156 23.361 -17.205 660 HH12 ARG 78 2HH1 ARG 78 17.887 23.625 -18.896 661 HH21 ARG 78 1HH2 ARG 78 19.645 20.779 -19.914 662 HH22 ARG 78 2HH2 ARG 78 18.734 22.155 -20.436 663 H GLU 79 H GLU 79 23.245 20.396 -12.654 664 HA GLU 79 HA GLU 79 25.216 21.841 -11.373 665 HB2 GLU 79 2HB GLU 79 26.689 19.814 -11.854 666 HB3 GLU 79 3HB GLU 79 25.182 19.517 -10.998 667 HG2 GLU 79 2HG GLU 79 24.398 18.203 -12.612 668 HG3 GLU 79 3HG GLU 79 24.898 19.316 -13.884 669 H GLU 80 H GLU 80 27.094 22.829 -11.947 670 HA GLU 80 HA GLU 80 28.581 23.946 -13.257 671 HB2 GLU 80 2HB GLU 80 28.595 21.293 -14.111 672 HB3 GLU 80 3HB GLU 80 28.476 22.227 -15.596 673 HG2 GLU 80 2HG GLU 80 30.794 21.716 -14.967 674 HG3 GLU 80 3HG GLU 80 30.473 23.448 -15.051 675 H SER 81 H SER 81 28.860 24.476 -15.877 676 HA SER 81 HA SER 81 26.297 25.749 -16.562 677 HB2 SER 81 2HB SER 81 29.036 26.709 -16.510 678 HB3 SER 81 3HB SER 81 28.299 26.959 -18.093 679 HG SER 81 HG SER 81 26.925 28.347 -17.252 680 HN1 NH2 90 H1 NH2 90 28.132 23.351 -19.279 Start of MODEL 19 1 H1 MET 1 H MET 1 2.906 -0.539 0.908 2 HA MET 1 HA MET 1 3.945 -0.809 -1.099 3 HB2 MET 1 2HB MET 1 1.175 -0.339 -1.609 4 HB3 MET 1 3HB MET 1 2.110 0.426 -2.887 5 HG2 MET 1 2HG MET 1 3.108 -1.607 -3.517 6 HG3 MET 1 3HG MET 1 2.572 -2.415 -2.046 7 HE1 MET 1 3HE MET 1 -0.991 -2.624 -2.151 8 HE2 MET 1 1HE MET 1 -0.180 -4.127 -2.591 9 HE3 MET 1 2HE MET 1 0.561 -3.036 -1.420 10 H ALA 2 H ALA 2 4.620 0.405 -3.191 11 HA ALA 2 HA ALA 2 5.940 2.790 -2.381 12 HB1 ALA 2 1HB ALA 2 5.956 1.021 -4.697 13 HB2 ALA 2 2HB ALA 2 6.198 2.718 -5.113 14 HB3 ALA 2 3HB ALA 2 7.271 1.932 -3.955 15 H LEU 3 H LEU 3 5.488 4.894 -2.783 16 HA LEU 3 HA LEU 3 2.904 5.465 -4.065 17 HB2 LEU 3 2HB LEU 3 2.558 6.503 -2.117 18 HB3 LEU 3 3HB LEU 3 4.272 6.494 -1.707 19 HG LEU 3 HG LEU 3 4.561 8.498 -3.163 20 HD11 LEU 3 1HD1 LEU 3 2.753 9.655 -4.072 21 HD12 LEU 3 2HD1 LEU 3 1.575 8.753 -3.119 22 HD13 LEU 3 3HD1 LEU 3 2.414 7.967 -4.456 23 HD21 LEU 3 3HD2 LEU 3 2.473 9.179 -1.153 24 HD22 LEU 3 1HD2 LEU 3 4.029 9.946 -1.472 25 HD23 LEU 3 2HD2 LEU 3 3.964 8.412 -0.603 26 HA PRO 4 HA PRO 4 5.471 7.170 -7.324 27 HB2 PRO 4 2HB PRO 4 3.406 7.665 -9.014 28 HB3 PRO 4 3HB PRO 4 4.106 6.057 -8.799 29 HG2 PRO 4 2HG PRO 4 1.628 7.222 -7.588 30 HG3 PRO 4 3HG PRO 4 1.886 5.606 -8.272 31 HD2 PRO 4 2HD PRO 4 1.913 6.081 -5.607 32 HD3 PRO 4 3HD PRO 4 2.913 4.824 -6.363 33 H ILE 5 H ILE 5 5.750 9.237 -8.269 34 HA ILE 5 HA ILE 5 3.982 11.393 -7.442 35 HB ILE 5 HB ILE 5 6.913 11.405 -6.713 36 HG12 ILE 5 2HG1 ILE 5 4.408 11.223 -5.033 37 HG13 ILE 5 3HG1 ILE 5 5.697 10.031 -5.157 38 HG21 ILE 5 1HG2 ILE 5 6.504 13.583 -5.752 39 HG22 ILE 5 2HG2 ILE 5 6.043 13.593 -7.454 40 HG23 ILE 5 3HG2 ILE 5 4.802 13.496 -6.205 41 HD11 ILE 5 3HD1 ILE 5 6.533 10.947 -3.322 42 HD12 ILE 5 1HD1 ILE 5 6.998 12.317 -4.330 43 HD13 ILE 5 2HD1 ILE 5 5.472 12.350 -3.447 44 H ILE 6 H ILE 6 3.895 13.008 -8.904 45 HA ILE 6 HA ILE 6 5.561 12.734 -11.288 46 HB ILE 6 HB ILE 6 2.988 14.179 -10.732 47 HG12 ILE 6 2HG1 ILE 6 3.327 12.567 -13.164 48 HG13 ILE 6 3HG1 ILE 6 3.541 11.659 -11.671 49 HG21 ILE 6 1HG2 ILE 6 4.849 14.568 -13.063 50 HG22 ILE 6 2HG2 ILE 6 3.137 14.981 -13.118 51 HG23 ILE 6 3HG2 ILE 6 4.202 15.792 -11.971 52 HD11 ILE 6 3HD1 ILE 6 1.230 13.311 -11.436 53 HD12 ILE 6 1HD1 ILE 6 1.142 12.387 -12.935 54 HD13 ILE 6 2HD1 ILE 6 1.354 11.553 -11.395 55 H VAL 7 H VAL 7 6.905 14.311 -12.054 56 HA VAL 7 HA VAL 7 7.218 16.727 -10.396 57 HB VAL 7 HB VAL 7 9.040 15.185 -9.883 58 HG11 VAL 7 1HG1 VAL 7 8.870 14.467 -12.543 59 HG12 VAL 7 2HG1 VAL 7 10.398 15.344 -12.446 60 HG13 VAL 7 3HG1 VAL 7 10.111 13.952 -11.402 61 HG21 VAL 7 3HG2 VAL 7 10.183 17.072 -9.601 62 HG22 VAL 7 1HG2 VAL 7 10.810 16.876 -11.237 63 HG23 VAL 7 2HG2 VAL 7 9.356 17.835 -10.959 64 H LYS 8 H LYS 8 6.996 18.540 -11.515 65 HA LYS 8 HA LYS 8 7.346 18.445 -14.435 66 HB2 LYS 8 2HB LYS 8 5.869 20.390 -14.532 67 HB3 LYS 8 3HB LYS 8 5.092 19.057 -13.686 68 HG2 LYS 8 2HG LYS 8 6.137 20.312 -11.584 69 HG3 LYS 8 3HG LYS 8 5.982 21.690 -12.676 70 HD2 LYS 8 2HD LYS 8 3.701 19.794 -12.214 71 HD3 LYS 8 3HD LYS 8 4.008 21.148 -11.123 72 HE2 LYS 8 2HE LYS 8 4.026 21.859 -13.965 73 HE3 LYS 8 3HE LYS 8 2.475 21.256 -13.381 74 HZ1 LYS 8 3HZ LYS 8 3.091 22.947 -11.435 75 HZ2 LYS 8 1HZ LYS 8 2.216 23.405 -12.809 76 HZ3 LYS 8 2HZ LYS 8 3.876 23.716 -12.721 77 H TRP 9 H TRP 9 9.077 19.406 -15.250 78 HA TRP 9 HA TRP 9 10.296 21.624 -13.737 79 HB2 TRP 9 2HB TRP 9 11.872 19.907 -13.531 80 HB3 TRP 9 3HB TRP 9 11.568 19.304 -15.158 81 HD1 TRP 9 HD1 TRP 9 13.709 19.632 -16.513 82 HE1 TRP 9 HE1 TRP 9 15.418 21.529 -16.839 83 HE3 TRP 9 HE3 TRP 9 11.843 22.992 -13.142 84 HZ2 TRP 9 HZ2 TRP 9 15.910 24.108 -15.803 85 HZ3 TRP 9 HZ3 TRP 9 12.992 25.150 -12.869 86 HH2 TRP 9 HH2 TRP 9 14.984 25.695 -14.172 87 H GLY 10 H GLY 10 9.556 23.369 -14.831 88 HA2 GLY 10 2HA GLY 10 9.962 24.950 -16.543 89 HA3 GLY 10 3HA GLY 10 10.442 23.637 -17.608 90 H GLY 11 H GLY 11 8.782 22.305 -18.547 91 HA2 GLY 11 2HA GLY 11 6.041 23.287 -18.342 92 HA3 GLY 11 3HA GLY 11 6.818 23.446 -19.910 93 H GLN 12 H GLN 12 7.709 20.744 -17.976 94 HA GLN 12 HA GLN 12 5.911 19.007 -19.529 95 HB2 GLN 12 2HB GLN 12 8.869 18.701 -19.050 96 HB3 GLN 12 3HB GLN 12 7.852 17.337 -19.495 97 HG2 GLN 12 2HG GLN 12 7.589 19.707 -21.209 98 HG3 GLN 12 3HG GLN 12 9.159 18.906 -21.255 99 HE21 GLN 12 1HE2 GLN 12 6.487 19.100 -22.926 100 HE22 GLN 12 2HE2 GLN 12 6.313 17.481 -23.502 101 H GLU 13 H GLU 13 6.013 16.680 -18.558 102 HA GLU 13 HA GLU 13 6.101 16.829 -15.625 103 HB2 GLU 13 2HB GLU 13 3.857 15.687 -17.296 104 HB3 GLU 13 3HB GLU 13 4.016 15.451 -15.561 105 HG2 GLU 13 2HG GLU 13 3.832 17.856 -15.209 106 HG3 GLU 13 3HG GLU 13 3.686 18.101 -16.949 107 H TYR 14 H TYR 14 6.819 15.018 -14.593 108 HA TYR 14 HA TYR 14 7.335 12.622 -16.208 109 HB2 TYR 14 2HB TYR 14 9.354 13.966 -14.399 110 HB3 TYR 14 3HB TYR 14 9.581 12.416 -15.200 111 HD1 TYR 14 HD1 TYR 14 8.954 16.018 -15.898 112 HD2 TYR 14 HD2 TYR 14 10.497 12.327 -17.346 113 HE1 TYR 14 HE1 TYR 14 9.862 17.177 -17.868 114 HE2 TYR 14 HE2 TYR 14 11.410 13.476 -19.320 115 HH TYR 14 HH TYR 14 11.702 15.420 -20.347 116 H SER 15 H SER 15 6.336 10.985 -15.263 117 HA SER 15 HA SER 15 5.624 11.076 -12.466 118 HB2 SER 15 2HB SER 15 4.673 8.738 -13.058 119 HB3 SER 15 3HB SER 15 3.923 10.155 -13.792 120 HG SER 15 HG SER 15 4.262 8.862 -15.488 121 H VAL 16 H VAL 16 6.569 10.019 -10.823 122 HA VAL 16 HA VAL 16 9.024 8.540 -11.405 123 HB VAL 16 HB VAL 16 7.950 9.625 -8.798 124 HG11 VAL 16 1HG1 VAL 16 10.500 9.108 -8.237 125 HG12 VAL 16 2HG1 VAL 16 9.218 7.922 -7.985 126 HG13 VAL 16 3HG1 VAL 16 10.229 7.838 -9.429 127 HG21 VAL 16 3HG2 VAL 16 8.712 11.516 -9.799 128 HG22 VAL 16 1HG2 VAL 16 10.252 10.922 -9.176 129 HG23 VAL 16 2HG2 VAL 16 9.815 10.642 -10.862 130 H THR 17 H THR 17 9.355 6.437 -10.847 131 HA THR 17 HA THR 17 7.341 5.007 -9.305 132 HB THR 17 HB THR 17 7.425 3.164 -11.148 133 HG1 THR 17 HG1 THR 17 8.979 4.504 -12.399 134 HG21 THR 17 3HG2 THR 17 5.613 5.156 -10.493 135 HG22 THR 17 1HG2 THR 17 5.291 3.741 -11.494 136 HG23 THR 17 2HG2 THR 17 5.749 5.268 -12.247 137 H THR 18 H THR 18 8.884 4.574 -7.753 138 HA THR 18 HA THR 18 10.373 2.259 -7.941 139 HB THR 18 HB THR 18 11.925 3.152 -9.456 140 HG1 THR 18 HG1 THR 18 13.812 3.199 -8.239 141 HG21 THR 18 3HG2 THR 18 11.334 5.664 -8.084 142 HG22 THR 18 1HG2 THR 18 11.832 5.375 -9.751 143 HG23 THR 18 2HG2 THR 18 13.042 5.459 -8.471 144 H LEU 19 H LEU 19 9.955 5.406 -6.515 145 HA LEU 19 HA LEU 19 11.277 4.660 -4.043 146 HB2 LEU 19 2HB LEU 19 10.290 7.105 -5.275 147 HB3 LEU 19 3HB LEU 19 9.893 6.999 -3.561 148 HG LEU 19 HG LEU 19 11.995 8.236 -4.056 149 HD11 LEU 19 1HD1 LEU 19 12.104 5.740 -2.383 150 HD12 LEU 19 2HD1 LEU 19 11.745 7.386 -1.864 151 HD13 LEU 19 3HD1 LEU 19 13.377 6.960 -2.379 152 HD21 LEU 19 3HD2 LEU 19 13.026 5.517 -4.858 153 HD22 LEU 19 1HD2 LEU 19 13.973 6.999 -4.718 154 HD23 LEU 19 2HD2 LEU 19 12.727 6.863 -5.959 155 H SER 20 H SER 20 10.230 4.547 -2.009 156 HA SER 20 HA SER 20 7.319 4.150 -2.105 157 HB2 SER 20 2HB SER 20 8.248 2.332 -0.197 158 HB3 SER 20 3HB SER 20 7.617 1.946 -1.798 159 HG SER 20 HG SER 20 10.305 2.280 -0.995 160 H GLU 21 H GLU 21 6.320 4.166 0.081 161 HA GLU 21 HA GLU 21 6.956 6.482 1.481 162 HB2 GLU 21 2HB GLU 21 5.468 4.087 2.571 163 HB3 GLU 21 3HB GLU 21 5.367 5.741 3.160 164 HG2 GLU 21 2HG GLU 21 4.345 6.452 1.087 165 HG3 GLU 21 3HG GLU 21 4.518 4.830 0.420 166 H ASP 22 H ASP 22 8.272 3.308 1.735 167 HA ASP 22 HA ASP 22 9.260 3.460 4.387 168 HB2 ASP 22 2HB ASP 22 9.015 1.403 2.807 169 HB3 ASP 22 3HB ASP 22 10.614 1.867 2.232 170 H ASP 23 H ASP 23 10.143 5.083 1.572 171 HA ASP 23 HA ASP 23 12.903 5.507 2.460 172 HB2 ASP 23 2HB ASP 23 11.642 6.558 -0.072 173 HB3 ASP 23 3HB ASP 23 13.356 6.378 0.291 174 H THR 24 H THR 24 12.987 8.089 1.021 175 HA THR 24 HA THR 24 11.418 9.767 2.858 176 HB THR 24 HB THR 24 13.710 11.239 2.499 177 HG1 THR 24 HG1 THR 24 15.422 9.792 2.954 178 HG21 THR 24 3HG2 THR 24 13.820 11.181 4.769 179 HG22 THR 24 1HG2 THR 24 13.663 9.427 4.842 180 HG23 THR 24 2HG2 THR 24 12.235 10.430 4.584 181 H VAL 25 H VAL 25 11.547 12.141 2.140 182 HA VAL 25 HA VAL 25 10.540 12.317 -0.502 183 HB VAL 25 HB VAL 25 11.491 14.648 1.155 184 HG11 VAL 25 1HG1 VAL 25 9.112 15.252 -0.154 185 HG12 VAL 25 2HG1 VAL 25 10.733 15.790 -0.599 186 HG13 VAL 25 3HG1 VAL 25 10.053 14.336 -1.331 187 HG21 VAL 25 3HG2 VAL 25 10.106 13.785 2.730 188 HG22 VAL 25 1HG2 VAL 25 8.877 14.552 1.724 189 HG23 VAL 25 2HG2 VAL 25 9.197 12.825 1.562 190 H LEU 26 H LEU 26 13.617 13.284 0.970 191 HA LEU 26 HA LEU 26 14.730 14.534 -1.278 192 HB2 LEU 26 2HB LEU 26 16.599 14.732 -0.035 193 HB3 LEU 26 3HB LEU 26 15.505 14.254 1.261 194 HG LEU 26 HG LEU 26 16.354 11.835 0.582 195 HD11 LEU 26 1HD1 LEU 26 18.404 11.690 -0.398 196 HD12 LEU 26 2HD1 LEU 26 18.904 13.291 0.146 197 HD13 LEU 26 3HD1 LEU 26 17.798 13.129 -1.218 198 HD21 LEU 26 3HD2 LEU 26 18.100 13.661 2.218 199 HD22 LEU 26 1HD2 LEU 26 17.847 11.927 2.421 200 HD23 LEU 26 2HD2 LEU 26 16.539 13.056 2.777 201 H ASP 27 H ASP 27 14.385 11.179 -0.436 202 HA ASP 27 HA ASP 27 16.325 10.149 -2.243 203 HB2 ASP 27 2HB ASP 27 15.168 8.996 -0.218 204 HB3 ASP 27 3HB ASP 27 13.896 8.610 -1.375 205 H LEU 28 H LEU 28 12.909 10.932 -2.494 206 HA LEU 28 HA LEU 28 12.638 9.768 -5.117 207 HB2 LEU 28 2HB LEU 28 10.832 10.100 -3.286 208 HB3 LEU 28 3HB LEU 28 10.722 11.737 -3.930 209 HG LEU 28 HG LEU 28 10.520 9.612 -5.948 210 HD11 LEU 28 1HD1 LEU 28 8.554 8.640 -5.322 211 HD12 LEU 28 2HD1 LEU 28 8.073 9.998 -4.306 212 HD13 LEU 28 3HD1 LEU 28 9.294 8.860 -3.737 213 HD21 LEU 28 3HD2 LEU 28 8.460 11.698 -5.494 214 HD22 LEU 28 1HD2 LEU 28 9.177 11.117 -6.998 215 HD23 LEU 28 2HD2 LEU 28 10.074 12.231 -5.966 216 H LYS 29 H LYS 29 12.760 13.057 -3.779 217 HA LYS 29 HA LYS 29 12.523 14.428 -6.218 218 HB2 LYS 29 2HB LYS 29 13.387 15.085 -3.469 219 HB3 LYS 29 3HB LYS 29 14.009 16.141 -4.730 220 HG2 LYS 29 2HG LYS 29 12.097 17.257 -4.308 221 HG3 LYS 29 3HG LYS 29 11.439 16.088 -5.456 222 HD2 LYS 29 2HD LYS 29 11.527 15.324 -2.585 223 HD3 LYS 29 3HD LYS 29 10.324 16.513 -3.086 224 HE2 LYS 29 2HE LYS 29 10.447 14.261 -4.906 225 HE3 LYS 29 3HE LYS 29 10.106 13.750 -3.254 226 HZ1 LYS 29 3HZ LYS 29 8.142 14.901 -3.206 227 HZ2 LYS 29 1HZ LYS 29 8.182 14.442 -4.834 228 HZ3 LYS 29 2HZ LYS 29 8.617 16.014 -4.387 229 H GLN 30 H GLN 30 15.463 13.738 -4.314 230 HA GLN 30 HA GLN 30 17.301 14.699 -6.178 231 HB2 GLN 30 2HB GLN 30 18.940 13.793 -4.834 232 HB3 GLN 30 3HB GLN 30 17.596 13.881 -3.704 233 HG2 GLN 30 2HG GLN 30 18.224 11.761 -3.281 234 HG3 GLN 30 3HG GLN 30 17.170 11.431 -4.655 235 HE21 GLN 30 1HE2 GLN 30 18.370 9.504 -4.995 236 HE22 GLN 30 2HE2 GLN 30 19.905 9.549 -5.787 237 H PHE 31 H PHE 31 15.437 11.808 -6.169 238 HA PHE 31 HA PHE 31 17.131 10.323 -7.947 239 HB2 PHE 31 2HB PHE 31 15.710 9.058 -6.500 240 HB3 PHE 31 3HB PHE 31 14.281 9.940 -7.029 241 HD1 PHE 31 HD2 PHE 31 16.734 7.369 -7.932 242 HD2 PHE 31 HD1 PHE 31 13.162 9.384 -9.071 243 HE1 PHE 31 HE2 PHE 31 16.317 5.653 -9.645 244 HE2 PHE 31 HE1 PHE 31 12.738 7.671 -10.785 245 HZ PHE 31 HZ PHE 31 14.317 5.803 -11.075 246 H LEU 32 H LEU 32 13.948 11.886 -8.328 247 HA LEU 32 HA LEU 32 13.865 11.544 -11.141 248 HB2 LEU 32 2HB LEU 32 12.037 13.254 -11.023 249 HB3 LEU 32 3HB LEU 32 11.812 11.832 -10.006 250 HG LEU 32 HG LEU 32 12.946 13.497 -8.222 251 HD11 LEU 32 1HD1 LEU 32 11.336 15.617 -8.865 252 HD12 LEU 32 2HD1 LEU 32 12.023 15.169 -10.426 253 HD13 LEU 32 3HD1 LEU 32 13.086 15.556 -9.073 254 HD21 LEU 32 3HD2 LEU 32 10.029 13.337 -8.973 255 HD22 LEU 32 1HD2 LEU 32 10.647 13.969 -7.447 256 HD23 LEU 32 2HD2 LEU 32 10.897 12.274 -7.864 257 H LYS 33 H LYS 33 14.802 14.250 -9.060 258 HA LYS 33 HA LYS 33 15.183 16.204 -10.992 259 HB2 LYS 33 2HB LYS 33 15.607 17.285 -9.081 260 HB3 LYS 33 3HB LYS 33 15.946 15.780 -8.238 261 HG2 LYS 33 2HG LYS 33 18.000 16.993 -10.038 262 HG3 LYS 33 3HG LYS 33 17.779 17.594 -8.393 263 HD2 LYS 33 2HD LYS 33 18.640 15.722 -7.451 264 HD3 LYS 33 3HD LYS 33 17.976 14.662 -8.697 265 HE2 LYS 33 2HE LYS 33 20.069 14.514 -9.463 266 HE3 LYS 33 3HE LYS 33 19.830 16.148 -10.078 267 HZ1 LYS 33 3HZ LYS 33 21.804 16.214 -8.845 268 HZ2 LYS 33 1HZ LYS 33 21.153 15.322 -7.563 269 HZ3 LYS 33 2HZ LYS 33 20.646 16.913 -7.830 270 H THR 34 H THR 34 17.106 13.417 -10.236 271 HA THR 34 HA THR 34 19.453 14.325 -11.634 272 HB THR 34 HB THR 34 19.051 12.392 -9.752 273 HG1 THR 34 HG1 THR 34 21.214 12.241 -11.579 274 HG21 THR 34 3HG2 THR 34 19.668 10.868 -12.271 275 HG22 THR 34 1HG2 THR 34 18.035 10.978 -11.618 276 HG23 THR 34 2HG2 THR 34 19.318 10.233 -10.664 277 H LEU 35 H LEU 35 16.526 12.686 -12.448 278 HA LEU 35 HA LEU 35 17.498 11.469 -14.856 279 HB2 LEU 35 2HB LEU 35 14.621 12.078 -14.274 280 HB3 LEU 35 3HB LEU 35 15.298 10.757 -15.225 281 HG LEU 35 HG LEU 35 15.443 11.020 -12.221 282 HD11 LEU 35 1HD1 LEU 35 14.018 8.775 -13.472 283 HD12 LEU 35 2HD1 LEU 35 13.251 10.352 -13.655 284 HD13 LEU 35 3HD1 LEU 35 13.613 9.730 -12.046 285 HD21 LEU 35 3HD2 LEU 35 15.983 8.411 -13.320 286 HD22 LEU 35 1HD2 LEU 35 16.951 9.388 -12.216 287 HD23 LEU 35 2HD2 LEU 35 17.109 9.610 -13.959 288 H THR 36 H THR 36 15.183 14.125 -14.283 289 HA THR 36 HA THR 36 16.207 15.437 -16.704 290 HB THR 36 HB THR 36 14.194 14.396 -17.468 291 HG1 THR 36 HG1 THR 36 14.118 16.361 -18.346 292 HG21 THR 36 3HG2 THR 36 12.509 13.903 -16.099 293 HG22 THR 36 1HG2 THR 36 12.189 15.618 -15.844 294 HG23 THR 36 2HG2 THR 36 13.327 14.768 -14.798 295 H GLY 37 H GLY 37 14.751 15.645 -13.550 296 HA2 GLY 37 2HA GLY 37 14.221 18.416 -13.491 297 HA3 GLY 37 3HA GLY 37 14.483 17.393 -12.086 298 H VAL 38 H VAL 38 15.424 19.674 -11.556 299 HA VAL 38 HA VAL 38 18.267 19.716 -12.330 300 HB VAL 38 HB VAL 38 17.426 21.779 -13.008 301 HG11 VAL 38 1HG1 VAL 38 16.082 23.079 -11.039 302 HG12 VAL 38 2HG1 VAL 38 15.315 22.160 -12.335 303 HG13 VAL 38 3HG1 VAL 38 15.576 21.413 -10.758 304 HG21 VAL 38 3HG2 VAL 38 18.342 22.302 -10.182 305 HG22 VAL 38 1HG2 VAL 38 19.414 21.972 -11.543 306 HG23 VAL 38 2HG2 VAL 38 18.410 23.422 -11.543 307 H LEU 39 H LEU 39 19.830 19.731 -10.779 308 HA LEU 39 HA LEU 39 19.351 18.567 -8.307 309 HB2 LEU 39 2HB LEU 39 21.649 19.694 -7.749 310 HB3 LEU 39 3HB LEU 39 21.538 18.386 -8.925 311 HG LEU 39 HG LEU 39 23.010 20.395 -9.501 312 HD11 LEU 39 1HD1 LEU 39 21.395 18.696 -11.064 313 HD12 LEU 39 2HD1 LEU 39 22.884 19.517 -11.530 314 HD13 LEU 39 3HD1 LEU 39 21.326 20.295 -11.803 315 HD21 LEU 39 3HD2 LEU 39 21.768 22.253 -10.597 316 HD22 LEU 39 1HD2 LEU 39 21.556 22.183 -8.847 317 HD23 LEU 39 2HD2 LEU 39 20.278 21.600 -9.914 318 HA PRO 40 HA PRO 40 17.861 21.760 -5.683 319 HB2 PRO 40 2HB PRO 40 18.840 20.924 -3.293 320 HB3 PRO 40 3HB PRO 40 17.498 20.120 -4.116 321 HG2 PRO 40 2HG PRO 40 20.395 19.370 -4.039 322 HG3 PRO 40 3HG PRO 40 18.966 18.331 -3.890 323 HD2 PRO 40 2HD PRO 40 20.369 18.559 -6.195 324 HD3 PRO 40 3HD PRO 40 18.617 18.272 -6.168 325 H GLU 41 H GLU 41 21.265 21.068 -5.868 326 HA GLU 41 HA GLU 41 22.337 22.997 -4.190 327 HB2 GLU 41 2HB GLU 41 23.761 21.359 -5.220 328 HB3 GLU 41 3HB GLU 41 23.349 21.936 -6.829 329 HG2 GLU 41 2HG GLU 41 24.582 23.921 -6.544 330 HG3 GLU 41 3HG GLU 41 24.735 23.666 -4.807 331 H ARG 42 H ARG 42 21.127 23.309 -7.488 332 HA ARG 42 HA ARG 42 21.654 26.196 -7.395 333 HB2 ARG 42 2HB ARG 42 21.337 24.214 -9.599 334 HB3 ARG 42 3HB ARG 42 20.848 25.875 -9.906 335 HG2 ARG 42 2HG ARG 42 22.956 26.588 -10.051 336 HG3 ARG 42 3HG ARG 42 23.467 25.653 -8.644 337 HD2 ARG 42 2HD ARG 42 23.953 23.778 -9.902 338 HD3 ARG 42 3HD ARG 42 22.873 24.252 -11.213 339 HE ARG 42 HE ARG 42 24.597 25.415 -12.162 340 HH11 ARG 42 1HH1 ARG 42 25.386 24.723 -8.843 341 HH12 ARG 42 2HH1 ARG 42 27.015 25.300 -8.973 342 HH21 ARG 42 1HH2 ARG 42 26.739 26.178 -12.346 343 HH22 ARG 42 2HH2 ARG 42 27.783 26.128 -10.966 344 H GLN 43 H GLN 43 19.100 23.819 -7.953 345 HA GLN 43 HA GLN 43 17.099 25.953 -8.004 346 HB2 GLN 43 2HB GLN 43 15.667 24.487 -9.054 347 HB3 GLN 43 3HB GLN 43 17.220 23.887 -9.620 348 HG2 GLN 43 2HG GLN 43 16.216 21.935 -9.015 349 HG3 GLN 43 3HG GLN 43 17.045 22.344 -7.514 350 HE21 GLN 43 1HE2 GLN 43 15.393 20.841 -6.668 351 HE22 GLN 43 2HE2 GLN 43 13.858 21.493 -6.216 352 H LYS 44 H LYS 44 15.174 25.774 -6.681 353 HA LYS 44 HA LYS 44 15.594 24.270 -4.186 354 HB2 LYS 44 2HB LYS 44 15.055 26.100 -2.846 355 HB3 LYS 44 3HB LYS 44 16.067 26.811 -4.096 356 HG2 LYS 44 2HG LYS 44 13.056 26.846 -4.086 357 HG3 LYS 44 3HG LYS 44 14.093 28.177 -3.568 358 HD2 LYS 44 2HD LYS 44 15.150 27.852 -5.954 359 HD3 LYS 44 3HD LYS 44 13.586 27.112 -6.308 360 HE2 LYS 44 2HE LYS 44 14.055 29.893 -5.235 361 HE3 LYS 44 3HE LYS 44 13.559 29.475 -6.874 362 HZ1 LYS 44 3HZ LYS 44 11.963 29.797 -4.551 363 HZ2 LYS 44 1HZ LYS 44 11.737 28.254 -5.208 364 HZ3 LYS 44 2HZ LYS 44 11.480 29.626 -6.163 365 H LEU 45 H LEU 45 13.791 23.375 -3.250 366 HA LEU 45 HA LEU 45 11.577 22.847 -4.936 367 HB2 LEU 45 2HB LEU 45 12.143 22.304 -2.038 368 HB3 LEU 45 3HB LEU 45 10.608 21.862 -2.783 369 HG LEU 45 HG LEU 45 12.014 19.925 -2.703 370 HD11 LEU 45 1HD1 LEU 45 12.055 20.963 -5.530 371 HD12 LEU 45 2HD1 LEU 45 10.620 20.322 -4.731 372 HD13 LEU 45 3HD1 LEU 45 12.017 19.280 -5.003 373 HD21 LEU 45 3HD2 LEU 45 14.161 21.183 -2.551 374 HD22 LEU 45 1HD2 LEU 45 14.066 21.460 -4.290 375 HD23 LEU 45 2HD2 LEU 45 14.203 19.816 -3.666 376 H LEU 46 H LEU 46 9.581 23.726 -5.041 377 HA LEU 46 HA LEU 46 9.176 26.305 -3.847 378 HB2 LEU 46 2HB LEU 46 7.565 24.561 -5.677 379 HB3 LEU 46 3HB LEU 46 6.884 26.030 -4.983 380 HG LEU 46 HG LEU 46 7.647 26.498 -7.208 381 HD11 LEU 46 1HD1 LEU 46 8.161 28.055 -5.158 382 HD12 LEU 46 2HD1 LEU 46 8.774 28.440 -6.766 383 HD13 LEU 46 3HD1 LEU 46 9.835 27.687 -5.576 384 HD21 LEU 46 3HD2 LEU 46 10.498 26.061 -6.705 385 HD22 LEU 46 1HD2 LEU 46 9.528 25.708 -8.135 386 HD23 LEU 46 2HD2 LEU 46 9.539 24.582 -6.777 387 H GLY 47 H GLY 47 6.869 23.598 -3.940 388 HA2 GLY 47 2HA GLY 47 5.949 24.377 -1.272 389 HA3 GLY 47 3HA GLY 47 5.105 23.316 -2.391 390 H LEU 48 H LEU 48 8.279 23.369 -0.758 391 HA LEU 48 HA LEU 48 8.639 20.614 -0.658 392 HB2 LEU 48 2HB LEU 48 10.207 21.070 1.199 393 HB3 LEU 48 3HB LEU 48 10.457 22.102 -0.208 394 HG LEU 48 HG LEU 48 8.912 23.740 1.219 395 HD11 LEU 48 1HD1 LEU 48 10.333 22.064 3.284 396 HD12 LEU 48 2HD1 LEU 48 8.589 22.198 3.064 397 HD13 LEU 48 3HD1 LEU 48 9.521 23.600 3.591 398 HD21 LEU 48 3HD2 LEU 48 11.434 23.788 0.387 399 HD22 LEU 48 1HD2 LEU 48 11.737 23.623 2.117 400 HD23 LEU 48 2HD2 LEU 48 10.793 24.985 1.513 401 H LYS 49 H LYS 49 6.581 22.648 1.210 402 HA LYS 49 HA LYS 49 6.074 20.476 3.127 403 HB2 LYS 49 2HB LYS 49 4.640 22.587 4.078 404 HB3 LYS 49 3HB LYS 49 6.286 22.202 4.563 405 HG2 LYS 49 2HG LYS 49 7.177 23.787 2.995 406 HG3 LYS 49 3HG LYS 49 5.571 24.091 2.330 407 HD2 LYS 49 2HD LYS 49 5.003 24.710 4.816 408 HD3 LYS 49 3HD LYS 49 6.747 24.951 4.936 409 HE2 LYS 49 2HE LYS 49 6.654 26.515 3.055 410 HE3 LYS 49 3HE LYS 49 4.912 26.272 2.937 411 HZ1 LYS 49 3HZ LYS 49 4.708 27.149 5.205 412 HZ2 LYS 49 1HZ LYS 49 5.380 28.282 4.143 413 HZ3 LYS 49 2HZ LYS 49 6.371 27.456 5.236 414 H VAL 50 H VAL 50 4.042 19.623 3.396 415 HA VAL 50 HA VAL 50 1.846 20.676 1.781 416 HB VAL 50 HB VAL 50 2.596 17.756 1.661 417 HG11 VAL 50 1HG1 VAL 50 0.983 18.559 -0.502 418 HG12 VAL 50 2HG1 VAL 50 0.546 17.504 0.844 419 HG13 VAL 50 3HG1 VAL 50 0.255 19.241 0.952 420 HG21 VAL 50 3HG2 VAL 50 4.323 18.817 0.475 421 HG22 VAL 50 1HG2 VAL 50 3.156 18.341 -0.759 422 HG23 VAL 50 2HG2 VAL 50 3.229 20.017 -0.214 423 H LYS 51 H LYS 51 -0.185 20.228 2.585 424 HA LYS 51 HA LYS 51 -1.737 19.847 4.207 425 HB2 LYS 51 2HB LYS 51 -0.104 17.352 4.706 426 HB3 LYS 51 3HB LYS 51 -1.782 17.609 5.167 427 HG2 LYS 51 2HG LYS 51 -2.140 17.990 2.618 428 HG3 LYS 51 3HG LYS 51 -0.613 17.117 2.467 429 HD2 LYS 51 2HD LYS 51 -1.535 15.148 3.067 430 HD3 LYS 51 3HD LYS 51 -2.583 15.891 4.277 431 HE2 LYS 51 2HE LYS 51 -3.865 16.822 2.222 432 HE3 LYS 51 3HE LYS 51 -3.026 15.550 1.335 433 HZ1 LYS 51 3HZ LYS 51 -4.897 15.226 3.612 434 HZ2 LYS 51 1HZ LYS 51 -3.935 13.967 3.019 435 HZ3 LYS 51 2HZ LYS 51 -5.100 14.681 2.023 436 H GLY 52 H GLY 52 0.582 21.415 4.940 437 HA2 GLY 52 2HA GLY 52 1.082 22.538 6.921 438 HA3 GLY 52 3HA GLY 52 0.250 21.276 7.817 439 H LYS 53 H LYS 53 2.015 19.384 6.062 440 HA LYS 53 HA LYS 53 4.078 19.111 8.062 441 HB2 LYS 53 2HB LYS 53 3.385 17.528 5.588 442 HB3 LYS 53 3HB LYS 53 4.761 17.142 6.612 443 HG2 LYS 53 2HG LYS 53 1.882 17.198 7.495 444 HG3 LYS 53 3HG LYS 53 2.824 15.751 7.127 445 HD2 LYS 53 2HD LYS 53 4.379 17.170 8.951 446 HD3 LYS 53 3HD LYS 53 2.727 17.326 9.552 447 HE2 LYS 53 2HE LYS 53 2.461 15.007 9.745 448 HE3 LYS 53 3HE LYS 53 3.842 14.672 8.702 449 HZ1 LYS 53 3HZ LYS 53 3.817 15.522 11.522 450 HZ2 LYS 53 1HZ LYS 53 5.166 15.848 10.553 451 HZ3 LYS 53 2HZ LYS 53 4.666 14.251 10.798 452 HA PRO 54 HA PRO 54 7.298 21.279 6.001 453 HB2 PRO 54 2HB PRO 54 9.457 19.919 6.927 454 HB3 PRO 54 3HB PRO 54 8.517 21.028 7.933 455 HG2 PRO 54 2HG PRO 54 8.391 18.041 7.779 456 HG3 PRO 54 3HG PRO 54 8.357 19.090 9.208 457 HD2 PRO 54 2HD PRO 54 6.118 17.995 8.151 458 HD3 PRO 54 3HD PRO 54 6.120 19.580 8.950 459 H ALA 55 H ALA 55 7.328 17.745 5.806 460 HA ALA 55 HA ALA 55 8.271 16.324 4.254 461 HB1 ALA 55 1HB ALA 55 6.519 18.256 2.819 462 HB2 ALA 55 2HB ALA 55 7.441 17.084 1.877 463 HB3 ALA 55 3HB ALA 55 6.302 16.529 3.104 464 H GLU 56 H GLU 56 10.189 18.189 5.078 465 HA GLU 56 HA GLU 56 11.465 19.500 2.918 466 HB2 GLU 56 2HB GLU 56 11.912 20.172 5.200 467 HB3 GLU 56 3HB GLU 56 12.539 18.576 5.586 468 HG2 GLU 56 2HG GLU 56 14.564 19.256 5.040 469 HG3 GLU 56 3HG GLU 56 14.019 19.523 3.385 470 H ASN 57 H ASN 57 12.914 16.837 4.768 471 HA ASN 57 HA ASN 57 13.370 15.279 2.377 472 HB2 ASN 57 2HB ASN 57 15.928 15.249 3.102 473 HB3 ASN 57 3HB ASN 57 15.302 16.454 1.980 474 HD21 ASN 57 1HD2 ASN 57 16.460 18.211 2.393 475 HD22 ASN 57 2HD2 ASN 57 16.639 18.949 3.945 476 H ASP 58 H ASP 58 13.955 15.760 5.818 477 HA ASP 58 HA ASP 58 14.656 13.039 6.340 478 HB2 ASP 58 2HB ASP 58 14.177 15.484 7.944 479 HB3 ASP 58 3HB ASP 58 13.909 13.951 8.768 480 H VAL 59 H VAL 59 11.813 14.339 5.387 481 HA VAL 59 HA VAL 59 10.100 12.716 7.105 482 HB VAL 59 HB VAL 59 8.954 14.208 4.809 483 HG11 VAL 59 1HG1 VAL 59 7.439 13.077 6.250 484 HG12 VAL 59 2HG1 VAL 59 8.199 13.757 7.690 485 HG13 VAL 59 3HG1 VAL 59 7.289 14.800 6.596 486 HG21 VAL 59 3HG2 VAL 59 8.983 16.292 6.308 487 HG22 VAL 59 1HG2 VAL 59 10.331 15.510 7.135 488 HG23 VAL 59 2HG2 VAL 59 10.454 15.895 5.419 489 H LYS 60 H LYS 60 8.737 11.090 6.327 490 HA LYS 60 HA LYS 60 9.758 9.718 3.971 491 HB2 LYS 60 2HB LYS 60 7.857 8.906 6.167 492 HB3 LYS 60 3HB LYS 60 8.168 7.897 4.761 493 HG2 LYS 60 2HG LYS 60 10.683 8.299 5.511 494 HG3 LYS 60 3HG LYS 60 9.903 8.515 7.079 495 HD2 LYS 60 2HD LYS 60 8.671 6.267 6.078 496 HD3 LYS 60 3HD LYS 60 10.336 6.089 5.519 497 HE2 LYS 60 2HE LYS 60 10.759 6.858 8.070 498 HE3 LYS 60 3HE LYS 60 9.227 6.005 8.250 499 HZ1 LYS 60 3HZ LYS 60 10.228 4.074 7.183 500 HZ2 LYS 60 1HZ LYS 60 11.089 4.515 8.571 501 HZ3 LYS 60 2HZ LYS 60 11.701 4.894 7.041 502 H LEU 61 H LEU 61 8.503 9.112 2.204 503 HA LEU 61 HA LEU 61 6.689 10.939 1.208 504 HB2 LEU 61 2HB LEU 61 6.608 8.031 0.469 505 HB3 LEU 61 3HB LEU 61 6.273 9.431 -0.549 506 HG LEU 61 HG LEU 61 8.992 8.630 0.489 507 HD11 LEU 61 1HD1 LEU 61 9.483 7.903 -1.725 508 HD12 LEU 61 2HD1 LEU 61 7.932 8.487 -2.325 509 HD13 LEU 61 3HD1 LEU 61 7.990 7.109 -1.225 510 HD21 LEU 61 3HD2 LEU 61 9.578 10.324 -1.426 511 HD22 LEU 61 1HD2 LEU 61 9.203 10.896 0.200 512 HD23 LEU 61 2HD2 LEU 61 7.973 10.962 -1.063 513 H GLY 62 H GLY 62 6.082 7.993 3.057 514 HA2 GLY 62 2HA GLY 62 3.229 8.149 2.793 515 HA3 GLY 62 3HA GLY 62 4.120 7.097 3.883 516 H ALA 63 H ALA 63 5.519 9.712 4.790 517 HA ALA 63 HA ALA 63 3.684 10.196 6.975 518 HB1 ALA 63 1HB ALA 63 6.077 9.929 7.413 519 HB2 ALA 63 2HB ALA 63 6.413 11.365 6.445 520 HB3 ALA 63 3HB ALA 63 5.493 11.507 7.943 521 H LEU 64 H LEU 64 4.481 11.649 3.979 522 HA LEU 64 HA LEU 64 3.591 14.301 4.727 523 HB2 LEU 64 2HB LEU 64 3.838 13.616 1.876 524 HB3 LEU 64 3HB LEU 64 4.457 15.004 2.768 525 HG LEU 64 HG LEU 64 5.700 12.254 2.738 526 HD11 LEU 64 1HD1 LEU 64 7.249 13.015 1.200 527 HD12 LEU 64 2HD1 LEU 64 6.894 14.711 1.524 528 HD13 LEU 64 3HD1 LEU 64 5.748 13.730 0.610 529 HD21 LEU 64 3HD2 LEU 64 6.940 14.790 3.754 530 HD22 LEU 64 1HD2 LEU 64 7.430 13.120 4.045 531 HD23 LEU 64 2HD2 LEU 64 5.967 13.754 4.800 532 H LYS 65 H LYS 65 2.212 11.403 3.535 533 HA LYS 65 HA LYS 65 0.126 10.828 2.828 534 HB2 LYS 65 2HB LYS 65 -0.727 13.381 4.201 535 HB3 LYS 65 3HB LYS 65 -1.735 11.981 3.855 536 HG2 LYS 65 2HG LYS 65 0.607 12.043 5.749 537 HG3 LYS 65 3HG LYS 65 -1.099 12.064 6.202 538 HD2 LYS 65 2HD LYS 65 -1.416 9.864 5.243 539 HD3 LYS 65 3HD LYS 65 0.248 9.849 4.656 540 HE2 LYS 65 2HE LYS 65 0.547 8.667 6.574 541 HE3 LYS 65 3HE LYS 65 0.746 10.292 7.229 542 HZ1 LYS 65 3HZ LYS 65 -0.767 8.844 8.531 543 HZ2 LYS 65 1HZ LYS 65 -1.832 8.823 7.216 544 HZ3 LYS 65 2HZ LYS 65 -1.491 10.280 8.004 545 H LEU 66 H LEU 66 1.652 12.174 0.925 546 HA LEU 66 HA LEU 66 -0.123 14.098 -0.358 547 HB2 LEU 66 2HB LEU 66 2.711 13.323 -0.604 548 HB3 LEU 66 3HB LEU 66 1.912 13.796 -2.103 549 HG LEU 66 HG LEU 66 1.780 15.570 0.307 550 HD11 LEU 66 1HD1 LEU 66 4.180 14.806 -1.029 551 HD12 LEU 66 2HD1 LEU 66 3.956 15.977 0.270 552 HD13 LEU 66 3HD1 LEU 66 3.818 16.489 -1.412 553 HD21 LEU 66 3HD2 LEU 66 1.189 15.727 -2.571 554 HD22 LEU 66 1HD2 LEU 66 1.990 17.139 -1.882 555 HD23 LEU 66 2HD2 LEU 66 0.458 16.579 -1.210 556 H LYS 67 H LYS 67 -0.909 13.835 -2.487 557 HA LYS 67 HA LYS 67 -1.849 11.223 -3.072 558 HB2 LYS 67 2HB LYS 67 -2.126 13.922 -4.236 559 HB3 LYS 67 3HB LYS 67 -2.320 12.592 -5.371 560 HG2 LYS 67 2HG LYS 67 -4.242 11.853 -4.398 561 HG3 LYS 67 3HG LYS 67 -3.793 12.450 -2.798 562 HD2 LYS 67 2HD LYS 67 -4.278 14.715 -3.450 563 HD3 LYS 67 3HD LYS 67 -4.556 14.217 -5.121 564 HE2 LYS 67 2HE LYS 67 -6.360 12.662 -4.055 565 HE3 LYS 67 3HE LYS 67 -6.255 13.785 -2.700 566 HZ1 LYS 67 3HZ LYS 67 -7.983 14.511 -4.147 567 HZ2 LYS 67 1HZ LYS 67 -6.975 14.434 -5.504 568 HZ3 LYS 67 2HZ LYS 67 -6.698 15.599 -4.309 569 HA PRO 68 HA PRO 68 1.214 9.548 -5.730 570 HB2 PRO 68 2HB PRO 68 -0.272 8.348 -7.659 571 HB3 PRO 68 3HB PRO 68 -0.156 7.725 -6.009 572 HG2 PRO 68 2HG PRO 68 -2.316 9.375 -7.264 573 HG3 PRO 68 3HG PRO 68 -2.461 7.973 -6.188 574 HD2 PRO 68 2HD PRO 68 -2.746 10.518 -5.310 575 HD3 PRO 68 3HD PRO 68 -2.074 9.227 -4.294 576 H ASN 69 H ASN 69 -1.336 11.363 -7.395 577 HA ASN 69 HA ASN 69 0.272 11.815 -9.736 578 HB2 ASN 69 2HB ASN 69 -1.581 13.157 -10.528 579 HB3 ASN 69 3HB ASN 69 -2.213 11.677 -9.812 580 HD21 ASN 69 1HD2 ASN 69 -2.414 15.010 -9.881 581 HD22 ASN 69 2HD2 ASN 69 -3.379 15.244 -8.467 582 H THR 70 H THR 70 0.011 13.243 -6.669 583 HA THR 70 HA THR 70 0.273 15.872 -6.762 584 HB THR 70 HB THR 70 2.222 14.038 -5.359 585 HG1 THR 70 HG1 THR 70 -0.127 15.396 -4.475 586 HG21 THR 70 3HG2 THR 70 2.678 15.963 -3.883 587 HG22 THR 70 1HG2 THR 70 1.715 16.987 -4.947 588 HG23 THR 70 2HG2 THR 70 3.204 16.253 -5.541 589 H LYS 71 H LYS 71 1.409 17.396 -7.779 590 HA LYS 71 HA LYS 71 3.665 16.557 -9.449 591 HB2 LYS 71 2HB LYS 71 2.294 19.241 -9.506 592 HB3 LYS 71 3HB LYS 71 3.285 18.503 -10.757 593 HG2 LYS 71 2HG LYS 71 1.406 17.823 -11.711 594 HG3 LYS 71 3HG LYS 71 1.208 16.702 -10.362 595 HD2 LYS 71 2HD LYS 71 -0.811 17.955 -10.549 596 HD3 LYS 71 3HD LYS 71 0.043 18.546 -9.122 597 HE2 LYS 71 2HE LYS 71 0.107 20.605 -9.956 598 HE3 LYS 71 3HE LYS 71 0.869 20.025 -11.436 599 HZ1 LYS 71 3HZ LYS 71 -2.008 20.360 -10.859 600 HZ2 LYS 71 1HZ LYS 71 -1.479 19.344 -12.105 601 HZ3 LYS 71 2HZ LYS 71 -1.106 20.993 -12.143 602 H ILE 72 H ILE 72 5.662 17.587 -9.389 603 HA ILE 72 HA ILE 72 6.149 19.211 -6.979 604 HB ILE 72 HB ILE 72 8.088 17.380 -8.396 605 HG12 ILE 72 2HG1 ILE 72 6.380 16.123 -7.186 606 HG13 ILE 72 3HG1 ILE 72 7.927 16.003 -6.355 607 HG21 ILE 72 1HG2 ILE 72 9.330 19.157 -7.463 608 HG22 ILE 72 2HG2 ILE 72 8.361 19.159 -5.990 609 HG23 ILE 72 3HG2 ILE 72 9.464 17.823 -6.317 610 HD11 ILE 72 3HD1 ILE 72 5.551 17.669 -5.583 611 HD12 ILE 72 1HD1 ILE 72 6.252 16.307 -4.710 612 HD13 ILE 72 2HD1 ILE 72 7.139 17.827 -4.833 613 H MET 73 H MET 73 6.911 21.205 -7.257 614 HA MET 73 HA MET 73 7.735 22.011 -9.953 615 HB2 MET 73 2HB MET 73 6.952 23.706 -7.575 616 HB3 MET 73 3HB MET 73 7.331 24.310 -9.182 617 HG2 MET 73 2HG MET 73 5.375 23.482 -10.098 618 HG3 MET 73 3HG MET 73 5.143 22.316 -8.798 619 HE1 MET 73 3HE MET 73 4.752 26.466 -9.448 620 HE2 MET 73 1HE MET 73 4.128 25.160 -10.455 621 HE3 MET 73 2HE MET 73 3.040 26.046 -9.388 622 H MET 74 H MET 74 9.690 22.969 -10.373 623 HA MET 74 HA MET 74 11.568 23.266 -8.136 624 HB2 MET 74 2HB MET 74 12.295 21.969 -10.765 625 HB3 MET 74 3HB MET 74 13.328 22.156 -9.355 626 HG2 MET 74 2HG MET 74 12.275 20.481 -8.188 627 HG3 MET 74 3HG MET 74 10.780 20.636 -9.107 628 HE1 MET 74 3HE MET 74 13.892 18.767 -8.479 629 HE2 MET 74 1HE MET 74 12.431 17.783 -8.390 630 HE3 MET 74 2HE MET 74 13.679 17.403 -9.577 631 H MET 75 H MET 75 12.610 25.151 -8.165 632 HA MET 75 HA MET 75 12.664 26.665 -10.693 633 HB2 MET 75 2HB MET 75 12.488 27.710 -7.861 634 HB3 MET 75 3HB MET 75 12.650 28.715 -9.295 635 HG2 MET 75 2HG MET 75 10.429 26.858 -9.487 636 HG3 MET 75 3HG MET 75 10.299 27.933 -8.097 637 HE1 MET 75 3HE MET 75 8.074 29.461 -9.090 638 HE2 MET 75 1HE MET 75 9.413 29.981 -8.066 639 HE3 MET 75 2HE MET 75 8.892 30.990 -9.414 640 H GLY 76 H GLY 76 14.606 27.156 -11.483 641 HA2 GLY 76 2HA GLY 76 16.804 28.196 -10.400 642 HA3 GLY 76 3HA GLY 76 16.964 26.521 -9.895 643 H THR 77 H THR 77 18.901 26.360 -11.109 644 HA THR 77 HA THR 77 18.409 25.951 -13.978 645 HB THR 77 HB THR 77 19.581 28.012 -13.966 646 HG1 THR 77 HG1 THR 77 21.801 27.185 -14.666 647 HG21 THR 77 3HG2 THR 77 20.787 26.951 -11.579 648 HG22 THR 77 1HG2 THR 77 20.742 28.615 -12.161 649 HG23 THR 77 2HG2 THR 77 22.032 27.532 -12.685 650 H ARG 78 H ARG 78 19.379 24.184 -14.875 651 HA ARG 78 HA ARG 78 20.623 22.320 -13.004 652 HB2 ARG 78 2HB ARG 78 20.356 20.716 -14.972 653 HB3 ARG 78 3HB ARG 78 18.880 21.300 -14.215 654 HG2 ARG 78 2HG ARG 78 19.734 23.006 -16.397 655 HG3 ARG 78 3HG ARG 78 19.474 21.337 -16.908 656 HD2 ARG 78 2HD ARG 78 17.240 21.367 -15.965 657 HD3 ARG 78 3HD ARG 78 17.498 22.999 -15.350 658 HE ARG 78 HE ARG 78 16.965 23.796 -17.417 659 HH11 ARG 78 1HH1 ARG 78 17.929 20.465 -17.729 660 HH12 ARG 78 2HH1 ARG 78 17.549 20.377 -19.417 661 HH21 ARG 78 1HH2 ARG 78 16.461 23.693 -19.639 662 HH22 ARG 78 2HH2 ARG 78 16.715 22.214 -20.503 663 H GLU 79 H GLU 79 22.592 21.258 -13.444 664 HA GLU 79 HA GLU 79 24.670 22.853 -14.360 665 HB2 GLU 79 2HB GLU 79 26.080 20.918 -14.173 666 HB3 GLU 79 3HB GLU 79 24.901 20.863 -12.871 667 HG2 GLU 79 2HG GLU 79 24.196 18.874 -13.524 668 HG3 GLU 79 3HG GLU 79 23.876 19.473 -15.150 669 H GLU 80 H GLU 80 26.264 22.005 -16.126 670 HA GLU 80 HA GLU 80 25.185 22.524 -18.613 671 HB2 GLU 80 2HB GLU 80 27.564 22.674 -18.226 672 HB3 GLU 80 3HB GLU 80 27.662 20.949 -17.901 673 HG2 GLU 80 2HG GLU 80 27.912 20.478 -20.049 674 HG3 GLU 80 3HG GLU 80 26.505 21.442 -20.492 675 H SER 81 H SER 81 26.204 19.314 -17.431 676 HA SER 81 HA SER 81 25.010 17.911 -19.583 677 HB2 SER 81 2HB SER 81 26.881 17.106 -18.031 678 HB3 SER 81 3HB SER 81 25.607 16.727 -16.872 679 HG SER 81 HG SER 81 26.097 15.596 -19.406 680 HN1 NH2 90 H1 NH2 90 22.387 16.886 -16.705 Start of MODEL 20 1 H1 MET 1 H MET 1 4.089 -0.983 0.308 2 HA MET 1 HA MET 1 4.234 -1.101 -2.010 3 HB2 MET 1 2HB MET 1 1.606 0.373 -1.875 4 HB3 MET 1 3HB MET 1 2.457 0.091 -3.388 5 HG2 MET 1 2HG MET 1 2.414 -2.409 -2.380 6 HG3 MET 1 3HG MET 1 0.921 -1.760 -1.704 7 HE1 MET 1 3HE MET 1 2.325 -3.753 -3.927 8 HE2 MET 1 1HE MET 1 0.703 -4.271 -4.387 9 HE3 MET 1 2HE MET 1 1.755 -3.508 -5.579 10 H ALA 2 H ALA 2 4.804 0.480 -3.744 11 HA ALA 2 HA ALA 2 6.204 2.708 -2.565 12 HB1 ALA 2 1HB ALA 2 6.510 2.912 -5.307 13 HB2 ALA 2 2HB ALA 2 7.603 2.100 -4.186 14 HB3 ALA 2 3HB ALA 2 6.353 1.178 -5.022 15 H LEU 3 H LEU 3 5.980 4.899 -3.169 16 HA LEU 3 HA LEU 3 3.308 5.576 -4.208 17 HB2 LEU 3 2HB LEU 3 4.729 6.406 -1.857 18 HB3 LEU 3 3HB LEU 3 4.393 7.802 -2.878 19 HG LEU 3 HG LEU 3 2.328 5.863 -1.838 20 HD11 LEU 3 1HD1 LEU 3 2.427 7.021 0.052 21 HD12 LEU 3 2HD1 LEU 3 1.872 8.432 -0.848 22 HD13 LEU 3 3HD1 LEU 3 3.599 8.147 -0.633 23 HD21 LEU 3 3HD2 LEU 3 2.256 8.132 -3.741 24 HD22 LEU 3 1HD2 LEU 3 0.929 8.001 -2.586 25 HD23 LEU 3 2HD2 LEU 3 1.277 6.665 -3.683 26 HA PRO 4 HA PRO 4 5.830 7.229 -7.552 27 HB2 PRO 4 2HB PRO 4 3.732 7.649 -9.223 28 HB3 PRO 4 3HB PRO 4 4.475 6.061 -8.993 29 HG2 PRO 4 2HG PRO 4 1.984 7.183 -7.768 30 HG3 PRO 4 3HG PRO 4 2.273 5.565 -8.432 31 HD2 PRO 4 2HD PRO 4 2.321 6.078 -5.774 32 HD3 PRO 4 3HD PRO 4 3.343 4.835 -6.525 33 H ILE 5 H ILE 5 6.062 9.288 -8.510 34 HA ILE 5 HA ILE 5 4.240 11.414 -7.742 35 HB ILE 5 HB ILE 5 7.147 11.506 -6.928 36 HG12 ILE 5 2HG1 ILE 5 4.600 11.246 -5.324 37 HG13 ILE 5 3HG1 ILE 5 5.944 10.111 -5.390 38 HG21 ILE 5 1HG2 ILE 5 6.220 13.663 -7.712 39 HG22 ILE 5 2HG2 ILE 5 4.968 13.538 -6.477 40 HG23 ILE 5 3HG2 ILE 5 6.661 13.678 -6.005 41 HD11 ILE 5 3HD1 ILE 5 6.647 11.082 -3.523 42 HD12 ILE 5 1HD1 ILE 5 7.134 12.437 -4.543 43 HD13 ILE 5 2HD1 ILE 5 5.567 12.460 -3.734 44 H ILE 6 H ILE 6 4.222 13.083 -9.169 45 HA ILE 6 HA ILE 6 5.905 12.780 -11.539 46 HB ILE 6 HB ILE 6 3.353 14.266 -11.000 47 HG12 ILE 6 2HG1 ILE 6 3.732 12.669 -13.446 48 HG13 ILE 6 3HG1 ILE 6 3.855 11.753 -11.948 49 HG21 ILE 6 1HG2 ILE 6 5.262 14.672 -13.288 50 HG22 ILE 6 2HG2 ILE 6 3.553 15.093 -13.381 51 HG23 ILE 6 3HG2 ILE 6 4.592 15.885 -12.197 52 HD11 ILE 6 3HD1 ILE 6 1.656 11.714 -11.762 53 HD12 ILE 6 1HD1 ILE 6 1.587 13.476 -11.808 54 HD13 ILE 6 2HD1 ILE 6 1.535 12.551 -13.310 55 H VAL 7 H VAL 7 7.303 14.320 -12.273 56 HA VAL 7 HA VAL 7 7.650 16.723 -10.603 57 HB VAL 7 HB VAL 7 9.435 15.142 -10.083 58 HG11 VAL 7 1HG1 VAL 7 9.267 14.449 -12.758 59 HG12 VAL 7 2HG1 VAL 7 10.827 15.264 -12.623 60 HG13 VAL 7 3HG1 VAL 7 10.465 13.874 -11.598 61 HG21 VAL 7 3HG2 VAL 7 11.243 16.802 -11.440 62 HG22 VAL 7 1HG2 VAL 7 9.813 17.786 -11.134 63 HG23 VAL 7 2HG2 VAL 7 10.638 16.989 -9.795 64 H LYS 8 H LYS 8 7.475 18.547 -11.711 65 HA LYS 8 HA LYS 8 7.862 18.465 -14.627 66 HB2 LYS 8 2HB LYS 8 6.413 20.440 -14.726 67 HB3 LYS 8 3HB LYS 8 5.604 19.096 -13.932 68 HG2 LYS 8 2HG LYS 8 6.577 20.274 -11.768 69 HG3 LYS 8 3HG LYS 8 6.518 21.687 -12.823 70 HD2 LYS 8 2HD LYS 8 4.167 19.846 -12.450 71 HD3 LYS 8 3HD LYS 8 4.459 21.237 -11.402 72 HE2 LYS 8 2HE LYS 8 4.622 21.863 -14.250 73 HE3 LYS 8 3HE LYS 8 3.040 21.265 -13.752 74 HZ1 LYS 8 3HZ LYS 8 4.482 23.661 -12.805 75 HZ2 LYS 8 1HZ LYS 8 3.249 22.964 -11.879 76 HZ3 LYS 8 2HZ LYS 8 2.914 23.547 -13.431 77 H TRP 9 H TRP 9 9.678 19.340 -15.348 78 HA TRP 9 HA TRP 9 10.832 21.609 -13.863 79 HB2 TRP 9 2HB TRP 9 12.401 19.947 -13.458 80 HB3 TRP 9 3HB TRP 9 12.140 19.176 -15.020 81 HD1 TRP 9 HD1 TRP 9 14.122 19.468 -16.593 82 HE1 TRP 9 HE1 TRP 9 15.955 21.238 -16.960 83 HE3 TRP 9 HE3 TRP 9 12.702 22.856 -13.038 84 HZ2 TRP 9 HZ2 TRP 9 16.700 23.739 -15.884 85 HZ3 TRP 9 HZ3 TRP 9 14.029 24.911 -12.771 86 HH2 TRP 9 HH2 TRP 9 15.986 25.341 -14.165 87 H GLY 10 H GLY 10 10.380 23.360 -15.052 88 HA2 GLY 10 2HA GLY 10 10.950 24.802 -16.837 89 HA3 GLY 10 3HA GLY 10 11.321 23.396 -17.824 90 H GLY 11 H GLY 11 9.525 22.132 -18.657 91 HA2 GLY 11 2HA GLY 11 6.883 23.330 -18.550 92 HA3 GLY 11 3HA GLY 11 7.687 23.442 -20.109 93 H GLN 12 H GLN 12 8.398 20.685 -18.184 94 HA GLN 12 HA GLN 12 6.488 19.068 -19.732 95 HB2 GLN 12 2HB GLN 12 9.443 18.772 -19.481 96 HB3 GLN 12 3HB GLN 12 8.470 17.308 -19.546 97 HG2 GLN 12 2HG GLN 12 8.139 19.464 -21.592 98 HG3 GLN 12 3HG GLN 12 9.424 18.266 -21.730 99 HE21 GLN 12 1HE2 GLN 12 8.938 16.213 -22.337 100 HE22 GLN 12 2HE2 GLN 12 7.360 15.700 -22.815 101 H GLU 13 H GLU 13 6.536 16.707 -18.781 102 HA GLU 13 HA GLU 13 6.633 16.850 -15.846 103 HB2 GLU 13 2HB GLU 13 4.361 15.783 -17.528 104 HB3 GLU 13 3HB GLU 13 4.517 15.500 -15.800 105 HG2 GLU 13 2HG GLU 13 4.381 17.891 -15.379 106 HG3 GLU 13 3HG GLU 13 4.266 18.198 -17.111 107 H TYR 14 H TYR 14 7.288 15.011 -14.811 108 HA TYR 14 HA TYR 14 7.761 12.612 -16.433 109 HB2 TYR 14 2HB TYR 14 9.801 13.901 -14.609 110 HB3 TYR 14 3HB TYR 14 9.996 12.348 -15.415 111 HD1 TYR 14 HD1 TYR 14 9.578 15.983 -16.033 112 HD2 TYR 14 HD2 TYR 14 10.800 12.231 -17.625 113 HE1 TYR 14 HE1 TYR 14 10.524 17.129 -17.993 114 HE2 TYR 14 HE2 TYR 14 11.750 13.367 -19.588 115 HH TYR 14 HH TYR 14 11.989 15.302 -20.660 116 H SER 15 H SER 15 6.823 10.936 -15.495 117 HA SER 15 HA SER 15 6.020 11.052 -12.721 118 HB2 SER 15 2HB SER 15 5.167 8.656 -13.349 119 HB3 SER 15 3HB SER 15 4.357 10.072 -14.019 120 HG SER 15 HG SER 15 4.840 9.308 -15.903 121 H VAL 16 H VAL 16 6.916 10.005 -11.040 122 HA VAL 16 HA VAL 16 9.438 8.614 -11.513 123 HB VAL 16 HB VAL 16 8.171 9.544 -8.933 124 HG11 VAL 16 1HG1 VAL 16 10.765 9.175 -8.328 125 HG12 VAL 16 2HG1 VAL 16 9.523 7.946 -8.081 126 HG13 VAL 16 3HG1 VAL 16 10.545 7.892 -9.518 127 HG21 VAL 16 3HG2 VAL 16 10.611 10.849 -9.444 128 HG22 VAL 16 1HG2 VAL 16 9.686 10.907 -10.944 129 HG23 VAL 16 2HG2 VAL 16 8.990 11.543 -9.453 130 H THR 17 H THR 17 9.736 6.487 -11.220 131 HA THR 17 HA THR 17 7.799 4.926 -9.702 132 HB THR 17 HB THR 17 7.795 3.213 -11.636 133 HG1 THR 17 HG1 THR 17 8.372 5.600 -13.089 134 HG21 THR 17 3HG2 THR 17 6.212 5.518 -12.546 135 HG22 THR 17 1HG2 THR 17 6.009 5.105 -10.844 136 HG23 THR 17 2HG2 THR 17 5.693 3.896 -12.089 137 H THR 18 H THR 18 9.427 4.457 -8.236 138 HA THR 18 HA THR 18 10.954 2.175 -8.664 139 HB THR 18 HB THR 18 12.421 3.337 -10.119 140 HG1 THR 18 HG1 THR 18 13.656 2.151 -8.725 141 HG21 THR 18 3HG2 THR 18 11.798 5.590 -8.427 142 HG22 THR 18 1HG2 THR 18 12.476 5.567 -10.055 143 HG23 THR 18 2HG2 THR 18 13.540 5.440 -8.654 144 H LEU 19 H LEU 19 10.565 5.195 -6.942 145 HA LEU 19 HA LEU 19 11.851 4.164 -4.551 146 HB2 LEU 19 2HB LEU 19 11.121 6.746 -5.586 147 HB3 LEU 19 3HB LEU 19 10.501 6.546 -3.948 148 HG LEU 19 HG LEU 19 13.138 5.680 -3.798 149 HD11 LEU 19 1HD1 LEU 19 12.826 7.881 -5.780 150 HD12 LEU 19 2HD1 LEU 19 13.970 6.539 -5.752 151 HD13 LEU 19 3HD1 LEU 19 14.196 7.912 -4.669 152 HD21 LEU 19 3HD2 LEU 19 12.435 8.501 -3.162 153 HD22 LEU 19 1HD2 LEU 19 13.321 7.313 -2.206 154 HD23 LEU 19 2HD2 LEU 19 11.565 7.205 -2.339 155 H SER 20 H SER 20 10.689 4.331 -2.446 156 HA SER 20 HA SER 20 7.809 3.819 -2.679 157 HB2 SER 20 2HB SER 20 8.585 2.082 -0.677 158 HB3 SER 20 3HB SER 20 8.197 1.626 -2.335 159 HG SER 20 HG SER 20 10.193 1.033 -2.509 160 H GLU 21 H GLU 21 6.876 3.603 -0.333 161 HA GLU 21 HA GLU 21 7.280 6.086 0.939 162 HB2 GLU 21 2HB GLU 21 5.940 3.637 2.096 163 HB3 GLU 21 3HB GLU 21 5.709 5.303 2.608 164 HG2 GLU 21 2HG GLU 21 4.581 5.861 0.606 165 HG3 GLU 21 3HG GLU 21 5.047 4.342 -0.158 166 H ASP 22 H ASP 22 8.873 3.072 1.240 167 HA ASP 22 HA ASP 22 9.781 3.327 3.923 168 HB2 ASP 22 2HB ASP 22 9.938 1.388 1.898 169 HB3 ASP 22 3HB ASP 22 11.606 1.827 2.258 170 H ASP 23 H ASP 23 10.553 5.006 1.121 171 HA ASP 23 HA ASP 23 13.284 5.615 1.971 172 HB2 ASP 23 2HB ASP 23 11.875 6.688 -0.471 173 HB3 ASP 23 3HB ASP 23 13.608 6.602 -0.169 174 H THR 24 H THR 24 13.207 8.251 0.697 175 HA THR 24 HA THR 24 11.489 9.756 2.541 176 HB THR 24 HB THR 24 13.738 11.320 2.484 177 HG1 THR 24 HG1 THR 24 15.342 10.036 1.979 178 HG21 THR 24 3HG2 THR 24 13.680 9.369 4.685 179 HG22 THR 24 1HG2 THR 24 12.150 10.188 4.375 180 HG23 THR 24 2HG2 THR 24 13.598 11.130 4.729 181 H VAL 25 H VAL 25 11.417 12.109 1.968 182 HA VAL 25 HA VAL 25 10.640 12.462 -0.691 183 HB VAL 25 HB VAL 25 11.498 14.647 1.210 184 HG11 VAL 25 1HG1 VAL 25 11.180 15.791 -0.729 185 HG12 VAL 25 2HG1 VAL 25 10.083 14.580 -1.395 186 HG13 VAL 25 3HG1 VAL 25 9.505 15.725 -0.184 187 HG21 VAL 25 3HG2 VAL 25 9.802 14.028 2.511 188 HG22 VAL 25 1HG2 VAL 25 8.711 14.444 1.189 189 HG23 VAL 25 2HG2 VAL 25 9.300 12.790 1.359 190 H LEU 26 H LEU 26 13.651 13.367 0.951 191 HA LEU 26 HA LEU 26 14.842 14.677 -1.239 192 HB2 LEU 26 2HB LEU 26 16.606 14.961 0.122 193 HB3 LEU 26 3HB LEU 26 15.482 14.393 1.354 194 HG LEU 26 HG LEU 26 16.489 12.041 0.687 195 HD11 LEU 26 1HD1 LEU 26 18.581 12.011 -0.218 196 HD12 LEU 26 2HD1 LEU 26 18.968 13.640 0.335 197 HD13 LEU 26 3HD1 LEU 26 17.917 13.411 -1.061 198 HD21 LEU 26 3HD2 LEU 26 18.120 13.913 2.384 199 HD22 LEU 26 1HD2 LEU 26 17.882 12.177 2.584 200 HD23 LEU 26 2HD2 LEU 26 16.550 13.291 2.892 201 H ASP 27 H ASP 27 14.591 11.314 -0.356 202 HA ASP 27 HA ASP 27 16.630 10.357 -2.102 203 HB2 ASP 27 2HB ASP 27 15.466 9.197 -0.062 204 HB3 ASP 27 3HB ASP 27 14.294 8.673 -1.268 205 H LEU 28 H LEU 28 13.187 10.959 -2.422 206 HA LEU 28 HA LEU 28 12.981 9.693 -4.995 207 HB2 LEU 28 2HB LEU 28 11.128 10.004 -3.264 208 HB3 LEU 28 3HB LEU 28 11.040 11.669 -3.835 209 HG LEU 28 HG LEU 28 10.868 10.094 -6.138 210 HD11 LEU 28 1HD1 LEU 28 9.764 8.215 -5.704 211 HD12 LEU 28 2HD1 LEU 28 8.624 9.047 -4.647 212 HD13 LEU 28 3HD1 LEU 28 10.160 8.467 -4.004 213 HD21 LEU 28 3HD2 LEU 28 9.276 11.995 -4.626 214 HD22 LEU 28 1HD2 LEU 28 8.285 10.825 -5.498 215 HD23 LEU 28 2HD2 LEU 28 9.462 11.807 -6.371 216 H LYS 29 H LYS 29 13.010 13.048 -3.823 217 HA LYS 29 HA LYS 29 12.804 14.282 -6.338 218 HB2 LYS 29 2HB LYS 29 13.565 15.107 -3.606 219 HB3 LYS 29 3HB LYS 29 14.203 16.110 -4.902 220 HG2 LYS 29 2HG LYS 29 12.254 17.198 -4.607 221 HG3 LYS 29 3HG LYS 29 11.656 15.948 -5.700 222 HD2 LYS 29 2HD LYS 29 11.681 15.282 -2.818 223 HD3 LYS 29 3HD LYS 29 10.518 16.505 -3.333 224 HE2 LYS 29 2HE LYS 29 10.486 14.334 -5.191 225 HE3 LYS 29 3HE LYS 29 10.320 13.696 -3.556 226 HZ1 LYS 29 3HZ LYS 29 8.376 14.865 -3.206 227 HZ2 LYS 29 1HZ LYS 29 8.224 14.414 -4.829 228 HZ3 LYS 29 2HZ LYS 29 8.689 15.990 -4.430 229 H GLN 30 H GLN 30 15.695 13.710 -4.328 230 HA GLN 30 HA GLN 30 17.587 14.661 -6.129 231 HB2 GLN 30 2HB GLN 30 19.202 13.682 -4.771 232 HB3 GLN 30 3HB GLN 30 17.850 13.899 -3.668 233 HG2 GLN 30 2HG GLN 30 18.331 11.767 -3.139 234 HG3 GLN 30 3HG GLN 30 17.300 11.434 -4.529 235 HE21 GLN 30 1HE2 GLN 30 18.802 9.437 -4.068 236 HE22 GLN 30 2HE2 GLN 30 20.202 9.359 -5.078 237 H PHE 31 H PHE 31 15.737 11.762 -6.193 238 HA PHE 31 HA PHE 31 17.494 10.294 -7.924 239 HB2 PHE 31 2HB PHE 31 15.923 9.147 -6.415 240 HB3 PHE 31 3HB PHE 31 14.569 9.850 -7.293 241 HD1 PHE 31 HD1 PHE 31 14.029 9.099 -9.555 242 HD2 PHE 31 HD2 PHE 31 17.151 7.294 -7.294 243 HE1 PHE 31 HE1 PHE 31 14.034 7.183 -11.098 244 HE2 PHE 31 HE2 PHE 31 17.162 5.375 -8.834 245 HZ PHE 31 HZ PHE 31 15.603 5.318 -10.740 246 H LEU 32 H LEU 32 14.310 11.830 -8.397 247 HA LEU 32 HA LEU 32 14.316 11.503 -11.211 248 HB2 LEU 32 2HB LEU 32 12.480 13.219 -11.133 249 HB3 LEU 32 3HB LEU 32 12.225 11.773 -10.158 250 HG LEU 32 HG LEU 32 13.297 13.413 -8.304 251 HD11 LEU 32 1HD1 LEU 32 11.675 15.520 -8.932 252 HD12 LEU 32 2HD1 LEU 32 12.383 15.113 -10.495 253 HD13 LEU 32 3HD1 LEU 32 13.428 15.487 -9.125 254 HD21 LEU 32 3HD2 LEU 32 10.398 13.252 -9.122 255 HD22 LEU 32 1HD2 LEU 32 10.991 13.804 -7.555 256 HD23 LEU 32 2HD2 LEU 32 11.250 12.133 -8.057 257 H LYS 33 H LYS 33 15.157 14.216 -9.094 258 HA LYS 33 HA LYS 33 15.587 16.176 -11.007 259 HB2 LYS 33 2HB LYS 33 15.948 17.258 -9.084 260 HB3 LYS 33 3HB LYS 33 16.259 15.752 -8.231 261 HG2 LYS 33 2HG LYS 33 18.374 16.972 -9.955 262 HG3 LYS 33 3HG LYS 33 18.094 17.567 -8.316 263 HD2 LYS 33 2HD LYS 33 18.929 15.694 -7.353 264 HD3 LYS 33 3HD LYS 33 18.303 14.636 -8.620 265 HE2 LYS 33 2HE LYS 33 20.436 14.482 -9.284 266 HE3 LYS 33 3HE LYS 33 20.188 16.090 -9.963 267 HZ1 LYS 33 3HZ LYS 33 20.882 16.879 -7.630 268 HZ2 LYS 33 1HZ LYS 33 22.082 16.344 -8.696 269 HZ3 LYS 33 2HZ LYS 33 21.537 15.329 -7.457 270 H THR 34 H THR 34 17.506 13.400 -10.202 271 HA THR 34 HA THR 34 19.890 14.331 -11.521 272 HB THR 34 HB THR 34 19.438 12.384 -9.662 273 HG1 THR 34 HG1 THR 34 21.684 12.121 -11.331 274 HG21 THR 34 3HG2 THR 34 20.155 10.888 -12.174 275 HG22 THR 34 1HG2 THR 34 18.503 10.968 -11.563 276 HG23 THR 34 2HG2 THR 34 19.771 10.234 -10.582 277 H LEU 35 H LEU 35 17.004 12.668 -12.431 278 HA LEU 35 HA LEU 35 18.059 11.470 -14.812 279 HB2 LEU 35 2HB LEU 35 15.162 12.058 -14.316 280 HB3 LEU 35 3HB LEU 35 15.874 10.749 -15.256 281 HG LEU 35 HG LEU 35 15.929 10.988 -12.248 282 HD11 LEU 35 1HD1 LEU 35 13.770 10.348 -13.703 283 HD12 LEU 35 2HD1 LEU 35 14.130 9.630 -12.133 284 HD13 LEU 35 3HD1 LEU 35 14.546 8.767 -13.613 285 HD21 LEU 35 3HD2 LEU 35 16.907 8.793 -12.254 286 HD22 LEU 35 1HD2 LEU 35 17.903 9.860 -13.245 287 HD23 LEU 35 2HD2 LEU 35 16.811 8.708 -14.014 288 H THR 36 H THR 36 15.711 14.110 -14.305 289 HA THR 36 HA THR 36 16.803 15.436 -16.687 290 HB THR 36 HB THR 36 14.811 14.363 -17.496 291 HG1 THR 36 HG1 THR 36 14.405 16.178 -18.487 292 HG21 THR 36 3HG2 THR 36 12.670 14.531 -16.483 293 HG22 THR 36 1HG2 THR 36 13.227 15.757 -15.345 294 HG23 THR 36 2HG2 THR 36 13.792 14.093 -15.195 295 H GLY 37 H GLY 37 15.238 15.625 -13.583 296 HA2 GLY 37 2HA GLY 37 14.684 18.388 -13.528 297 HA3 GLY 37 3HA GLY 37 14.919 17.364 -12.120 298 H VAL 38 H VAL 38 15.816 19.671 -11.580 299 HA VAL 38 HA VAL 38 18.684 19.726 -12.255 300 HB VAL 38 HB VAL 38 17.829 21.770 -12.996 301 HG11 VAL 38 1HG1 VAL 38 16.460 23.095 -11.056 302 HG12 VAL 38 2HG1 VAL 38 15.713 22.164 -12.356 303 HG13 VAL 38 3HG1 VAL 38 15.950 21.432 -10.769 304 HG21 VAL 38 3HG2 VAL 38 19.802 22.033 -11.556 305 HG22 VAL 38 1HG2 VAL 38 18.753 23.449 -11.499 306 HG23 VAL 38 2HG2 VAL 38 18.746 22.292 -10.168 307 H LEU 39 H LEU 39 20.185 19.736 -10.651 308 HA LEU 39 HA LEU 39 19.609 18.627 -8.175 309 HB2 LEU 39 2HB LEU 39 21.900 19.722 -7.557 310 HB3 LEU 39 3HB LEU 39 21.814 18.411 -8.731 311 HG LEU 39 HG LEU 39 23.327 20.407 -9.258 312 HD11 LEU 39 1HD1 LEU 39 21.736 20.293 -11.625 313 HD12 LEU 39 2HD1 LEU 39 21.769 18.700 -10.869 314 HD13 LEU 39 3HD1 LEU 39 23.279 19.511 -11.283 315 HD21 LEU 39 3HD2 LEU 39 22.207 22.293 -10.356 316 HD22 LEU 39 1HD2 LEU 39 21.772 22.173 -8.651 317 HD23 LEU 39 2HD2 LEU 39 20.641 21.628 -9.889 318 HA PRO 40 HA PRO 40 18.078 21.888 -5.661 319 HB2 PRO 40 2HB PRO 40 18.982 21.097 -3.226 320 HB3 PRO 40 3HB PRO 40 17.658 20.285 -4.069 321 HG2 PRO 40 2HG PRO 40 20.545 19.516 -3.893 322 HG3 PRO 40 3HG PRO 40 19.104 18.490 -3.763 323 HD2 PRO 40 2HD PRO 40 20.573 18.657 -6.032 324 HD3 PRO 40 3HD PRO 40 18.819 18.385 -6.048 325 H GLU 41 H GLU 41 21.479 21.168 -5.738 326 HA GLU 41 HA GLU 41 22.525 23.118 -4.071 327 HB2 GLU 41 2HB GLU 41 23.959 21.453 -5.044 328 HB3 GLU 41 3HB GLU 41 23.592 22.012 -6.670 329 HG2 GLU 41 2HG GLU 41 25.831 22.682 -5.752 330 HG3 GLU 41 3HG GLU 41 24.833 23.991 -6.382 331 H ARG 42 H ARG 42 21.389 23.386 -7.399 332 HA ARG 42 HA ARG 42 21.930 26.272 -7.337 333 HB2 ARG 42 2HB ARG 42 21.678 24.256 -9.515 334 HB3 ARG 42 3HB ARG 42 21.184 25.907 -9.865 335 HG2 ARG 42 2HG ARG 42 23.339 26.132 -10.455 336 HG3 ARG 42 3HG ARG 42 23.568 26.377 -8.722 337 HD2 ARG 42 2HD ARG 42 24.079 23.995 -8.460 338 HD3 ARG 42 3HD ARG 42 23.858 23.760 -10.193 339 HE ARG 42 HE ARG 42 25.790 25.766 -9.722 340 HH11 ARG 42 1HH1 ARG 42 25.335 22.319 -9.540 341 HH12 ARG 42 2HH1 ARG 42 27.011 21.954 -9.785 342 HH21 ARG 42 1HH2 ARG 42 27.999 25.298 -10.045 343 HH22 ARG 42 2HH2 ARG 42 28.525 23.649 -10.071 344 H GLN 43 H GLN 43 19.383 23.894 -7.918 345 HA GLN 43 HA GLN 43 17.392 26.032 -8.067 346 HB2 GLN 43 2HB GLN 43 15.982 24.546 -9.121 347 HB3 GLN 43 3HB GLN 43 17.548 23.931 -9.633 348 HG2 GLN 43 2HG GLN 43 16.500 21.999 -9.014 349 HG3 GLN 43 3HG GLN 43 17.326 22.424 -7.516 350 HE21 GLN 43 1HE2 GLN 43 15.700 21.011 -6.565 351 HE22 GLN 43 2HE2 GLN 43 14.152 21.666 -6.168 352 H LYS 44 H LYS 44 15.425 25.874 -6.797 353 HA LYS 44 HA LYS 44 15.790 24.444 -4.249 354 HB2 LYS 44 2HB LYS 44 14.800 26.371 -3.077 355 HB3 LYS 44 3HB LYS 44 16.304 26.795 -3.883 356 HG2 LYS 44 2HG LYS 44 15.017 28.584 -4.457 357 HG3 LYS 44 3HG LYS 44 14.685 27.516 -5.822 358 HD2 LYS 44 2HD LYS 44 12.518 27.527 -5.327 359 HD3 LYS 44 3HD LYS 44 12.866 26.899 -3.715 360 HE2 LYS 44 2HE LYS 44 13.544 29.456 -3.331 361 HE3 LYS 44 3HE LYS 44 12.352 29.676 -4.611 362 HZ1 LYS 44 3HZ LYS 44 11.726 28.006 -2.265 363 HZ2 LYS 44 1HZ LYS 44 10.669 28.817 -3.308 364 HZ3 LYS 44 2HZ LYS 44 11.576 29.689 -2.178 365 H LEU 45 H LEU 45 13.976 23.544 -3.342 366 HA LEU 45 HA LEU 45 11.821 22.929 -5.070 367 HB2 LEU 45 2HB LEU 45 12.288 22.501 -2.134 368 HB3 LEU 45 3HB LEU 45 10.802 21.989 -2.930 369 HG LEU 45 HG LEU 45 12.241 20.093 -2.727 370 HD11 LEU 45 1HD1 LEU 45 12.387 21.081 -5.570 371 HD12 LEU 45 2HD1 LEU 45 10.965 20.349 -4.829 372 HD13 LEU 45 3HD1 LEU 45 12.441 19.405 -5.025 373 HD21 LEU 45 3HD2 LEU 45 14.344 21.425 -2.491 374 HD22 LEU 45 1HD2 LEU 45 14.352 21.616 -4.245 375 HD23 LEU 45 2HD2 LEU 45 14.486 20.008 -3.532 376 H LEU 46 H LEU 46 9.850 23.815 -5.310 377 HA LEU 46 HA LEU 46 9.361 26.412 -4.212 378 HB2 LEU 46 2HB LEU 46 7.843 24.570 -6.022 379 HB3 LEU 46 3HB LEU 46 7.093 26.034 -5.389 380 HG LEU 46 HG LEU 46 7.909 26.453 -7.610 381 HD11 LEU 46 1HD1 LEU 46 8.289 28.092 -5.584 382 HD12 LEU 46 2HD1 LEU 46 8.910 28.463 -7.192 383 HD13 LEU 46 3HD1 LEU 46 9.987 27.799 -5.963 384 HD21 LEU 46 3HD2 LEU 46 10.756 26.155 -6.979 385 HD22 LEU 46 1HD2 LEU 46 9.865 25.736 -8.442 386 HD23 LEU 46 2HD2 LEU 46 9.858 24.638 -7.061 387 H GLY 47 H GLY 47 7.267 23.521 -4.166 388 HA2 GLY 47 2HA GLY 47 6.182 24.453 -1.600 389 HA3 GLY 47 3HA GLY 47 5.416 23.296 -2.678 390 H LEU 48 H LEU 48 8.524 23.586 -0.947 391 HA LEU 48 HA LEU 48 9.002 20.856 -0.686 392 HB2 LEU 48 2HB LEU 48 10.548 21.448 1.094 393 HB3 LEU 48 3HB LEU 48 10.697 22.549 -0.274 394 HG LEU 48 HG LEU 48 9.080 24.041 1.174 395 HD11 LEU 48 1HD1 LEU 48 10.309 22.154 3.160 396 HD12 LEU 48 2HD1 LEU 48 8.617 22.616 2.981 397 HD13 LEU 48 3HD1 LEU 48 9.787 23.780 3.601 398 HD21 LEU 48 3HD2 LEU 48 11.717 24.105 0.550 399 HD22 LEU 48 1HD2 LEU 48 11.788 24.078 2.312 400 HD23 LEU 48 2HD2 LEU 48 10.882 25.347 1.486 401 H LYS 49 H LYS 49 6.736 22.851 0.928 402 HA LYS 49 HA LYS 49 6.261 20.760 2.947 403 HB2 LYS 49 2HB LYS 49 4.784 22.866 3.822 404 HB3 LYS 49 3HB LYS 49 6.434 22.534 4.333 405 HG2 LYS 49 2HG LYS 49 7.316 24.119 2.798 406 HG3 LYS 49 3HG LYS 49 5.750 24.313 2.007 407 HD2 LYS 49 2HD LYS 49 4.980 25.721 3.594 408 HD3 LYS 49 3HD LYS 49 5.774 24.842 4.903 409 HE2 LYS 49 2HE LYS 49 7.826 25.927 4.526 410 HE3 LYS 49 3HE LYS 49 7.319 26.515 2.944 411 HZ1 LYS 49 3HZ LYS 49 7.326 28.214 4.749 412 HZ2 LYS 49 1HZ LYS 49 6.053 27.376 5.483 413 HZ3 LYS 49 2HZ LYS 49 5.844 28.053 3.947 414 H VAL 50 H VAL 50 4.209 19.929 3.228 415 HA VAL 50 HA VAL 50 2.061 20.891 1.496 416 HB VAL 50 HB VAL 50 3.254 19.095 0.243 417 HG11 VAL 50 1HG1 VAL 50 3.256 16.845 0.982 418 HG12 VAL 50 2HG1 VAL 50 3.858 17.810 2.331 419 HG13 VAL 50 3HG1 VAL 50 2.197 17.216 2.341 420 HG21 VAL 50 3HG2 VAL 50 0.737 17.740 0.726 421 HG22 VAL 50 1HG2 VAL 50 0.536 19.487 0.600 422 HG23 VAL 50 2HG2 VAL 50 1.302 18.591 -0.711 423 H LYS 51 H LYS 51 -0.005 20.431 2.236 424 HA LYS 51 HA LYS 51 -1.611 20.125 3.821 425 HB2 LYS 51 2HB LYS 51 0.104 17.713 4.443 426 HB3 LYS 51 3HB LYS 51 -1.528 17.965 5.050 427 HG2 LYS 51 2HG LYS 51 -1.934 18.261 2.395 428 HG3 LYS 51 3HG LYS 51 -0.606 17.099 2.400 429 HD2 LYS 51 2HD LYS 51 -2.055 15.897 4.216 430 HD3 LYS 51 3HD LYS 51 -3.371 16.832 3.500 431 HE2 LYS 51 2HE LYS 51 -1.845 15.683 1.395 432 HE3 LYS 51 3HE LYS 51 -2.197 14.418 2.571 433 HZ1 LYS 51 3HZ LYS 51 -4.575 15.333 2.453 434 HZ2 LYS 51 1HZ LYS 51 -4.019 14.379 1.170 435 HZ3 LYS 51 2HZ LYS 51 -4.081 16.062 1.008 436 H GLY 52 H GLY 52 0.675 21.791 4.510 437 HA2 GLY 52 2HA GLY 52 1.111 23.080 6.396 438 HA3 GLY 52 3HA GLY 52 0.187 21.936 7.358 439 H LYS 53 H LYS 53 2.069 19.898 5.828 440 HA LYS 53 HA LYS 53 3.937 19.700 8.018 441 HB2 LYS 53 2HB LYS 53 3.471 18.020 5.554 442 HB3 LYS 53 3HB LYS 53 4.734 17.669 6.726 443 HG2 LYS 53 2HG LYS 53 1.792 17.810 7.352 444 HG3 LYS 53 3HG LYS 53 2.703 16.325 7.068 445 HD2 LYS 53 2HD LYS 53 3.410 16.298 9.178 446 HD3 LYS 53 3HD LYS 53 4.041 17.940 9.031 447 HE2 LYS 53 2HE LYS 53 1.119 17.751 9.265 448 HE3 LYS 53 3HE LYS 53 2.012 17.200 10.682 449 HZ1 LYS 53 3HZ LYS 53 3.178 19.581 9.833 450 HZ2 LYS 53 1HZ LYS 53 2.292 19.306 11.248 451 HZ3 LYS 53 2HZ LYS 53 1.506 19.835 9.847 452 HA PRO 54 HA PRO 54 7.373 21.737 6.190 453 HB2 PRO 54 2HB PRO 54 9.421 20.348 7.305 454 HB3 PRO 54 3HB PRO 54 8.428 21.493 8.216 455 HG2 PRO 54 2HG PRO 54 8.250 18.507 8.096 456 HG3 PRO 54 3HG PRO 54 8.126 19.579 9.503 457 HD2 PRO 54 2HD PRO 54 5.954 18.514 8.287 458 HD3 PRO 54 3HD PRO 54 5.927 20.112 9.061 459 H ALA 55 H ALA 55 7.236 18.219 5.991 460 HA ALA 55 HA ALA 55 8.279 16.743 4.550 461 HB1 ALA 55 1HB ALA 55 6.355 17.131 3.297 462 HB2 ALA 55 2HB ALA 55 6.854 18.765 2.858 463 HB3 ALA 55 3HB ALA 55 7.661 17.372 2.136 464 H GLU 56 H GLU 56 10.237 18.402 5.538 465 HA GLU 56 HA GLU 56 11.745 19.803 3.640 466 HB2 GLU 56 2HB GLU 56 12.078 19.936 6.097 467 HB3 GLU 56 3HB GLU 56 12.769 18.319 6.066 468 HG2 GLU 56 2HG GLU 56 14.748 19.247 5.748 469 HG3 GLU 56 3HG GLU 56 14.196 19.754 4.152 470 H ASN 57 H ASN 57 12.871 16.756 5.074 471 HA ASN 57 HA ASN 57 13.218 15.506 2.505 472 HB2 ASN 57 2HB ASN 57 15.778 15.204 3.161 473 HB3 ASN 57 3HB ASN 57 15.225 16.577 2.206 474 HD21 ASN 57 1HD2 ASN 57 15.694 15.592 5.577 475 HD22 ASN 57 2HD2 ASN 57 16.265 17.128 6.125 476 H ASP 58 H ASP 58 13.867 15.512 5.965 477 HA ASP 58 HA ASP 58 14.479 12.759 6.200 478 HB2 ASP 58 2HB ASP 58 14.887 14.673 7.889 479 HB3 ASP 58 3HB ASP 58 13.226 14.384 8.399 480 H VAL 59 H VAL 59 11.620 14.283 5.408 481 HA VAL 59 HA VAL 59 9.801 12.500 6.749 482 HB VAL 59 HB VAL 59 9.193 14.300 4.405 483 HG11 VAL 59 1HG1 VAL 59 6.920 14.298 5.432 484 HG12 VAL 59 2HG1 VAL 59 7.439 12.723 4.828 485 HG13 VAL 59 3HG1 VAL 59 7.484 13.064 6.558 486 HG21 VAL 59 3HG2 VAL 59 9.805 14.943 7.198 487 HG22 VAL 59 1HG2 VAL 59 9.816 15.972 5.766 488 HG23 VAL 59 2HG2 VAL 59 8.299 15.640 6.602 489 H LYS 60 H LYS 60 8.566 10.861 5.821 490 HA LYS 60 HA LYS 60 9.810 9.594 3.501 491 HB2 LYS 60 2HB LYS 60 7.875 8.591 5.589 492 HB3 LYS 60 3HB LYS 60 8.333 7.646 4.178 493 HG2 LYS 60 2HG LYS 60 10.769 8.257 5.098 494 HG3 LYS 60 3HG LYS 60 9.867 8.288 6.615 495 HD2 LYS 60 2HD LYS 60 8.914 6.009 5.503 496 HD3 LYS 60 3HD LYS 60 10.560 6.024 4.865 497 HE2 LYS 60 2HE LYS 60 11.180 6.573 7.356 498 HE3 LYS 60 3HE LYS 60 9.612 5.838 7.688 499 HZ1 LYS 60 3HZ LYS 60 11.921 4.482 7.430 500 HZ2 LYS 60 1HZ LYS 60 11.266 4.321 5.879 501 HZ3 LYS 60 2HZ LYS 60 10.383 3.808 7.227 502 H LEU 61 H LEU 61 8.605 8.855 1.713 503 HA LEU 61 HA LEU 61 6.779 10.607 0.623 504 HB2 LEU 61 2HB LEU 61 6.830 7.666 -0.002 505 HB3 LEU 61 3HB LEU 61 6.379 8.992 -1.072 506 HG LEU 61 HG LEU 61 9.158 8.376 -0.070 507 HD11 LEU 61 1HD1 LEU 61 8.118 8.257 -2.888 508 HD12 LEU 61 2HD1 LEU 61 8.145 6.856 -1.817 509 HD13 LEU 61 3HD1 LEU 61 9.653 7.656 -2.261 510 HD21 LEU 61 3HD2 LEU 61 8.242 10.496 -2.010 511 HD22 LEU 61 1HD2 LEU 61 9.900 10.171 -1.506 512 HD23 LEU 61 2HD2 LEU 61 8.731 10.792 -0.341 513 H GLY 62 H GLY 62 6.156 7.645 2.462 514 HA2 GLY 62 2HA GLY 62 3.306 7.823 2.170 515 HA3 GLY 62 3HA GLY 62 4.179 6.742 3.246 516 H ALA 63 H ALA 63 5.551 9.423 4.143 517 HA ALA 63 HA ALA 63 3.744 9.822 6.372 518 HB1 ALA 63 1HB ALA 63 6.348 11.246 5.878 519 HB2 ALA 63 2HB ALA 63 5.507 11.013 7.411 520 HB3 ALA 63 3HB ALA 63 6.250 9.637 6.595 521 H LEU 64 H LEU 64 4.858 11.577 3.544 522 HA LEU 64 HA LEU 64 3.806 14.106 4.268 523 HB2 LEU 64 2HB LEU 64 4.088 13.192 1.432 524 HB3 LEU 64 3HB LEU 64 4.334 14.801 2.110 525 HG LEU 64 HG LEU 64 6.188 12.680 3.020 526 HD11 LEU 64 1HD1 LEU 64 5.741 12.533 0.429 527 HD12 LEU 64 2HD1 LEU 64 7.374 12.428 1.085 528 HD13 LEU 64 3HD1 LEU 64 6.796 13.946 0.399 529 HD21 LEU 64 3HD2 LEU 64 6.824 15.433 2.014 530 HD22 LEU 64 1HD2 LEU 64 7.706 14.443 3.178 531 HD23 LEU 64 2HD2 LEU 64 6.166 15.174 3.631 532 H LYS 65 H LYS 65 2.397 11.233 2.973 533 HA LYS 65 HA LYS 65 0.267 10.665 2.412 534 HB2 LYS 65 2HB LYS 65 -0.491 13.215 3.847 535 HB3 LYS 65 3HB LYS 65 -1.554 11.860 3.494 536 HG2 LYS 65 2HG LYS 65 0.812 11.847 5.356 537 HG3 LYS 65 3HG LYS 65 -0.894 11.806 5.809 538 HD2 LYS 65 2HD LYS 65 -1.151 9.643 4.735 539 HD3 LYS 65 3HD LYS 65 0.526 9.692 4.188 540 HE2 LYS 65 2HE LYS 65 0.558 8.328 6.094 541 HE3 LYS 65 3HE LYS 65 1.147 9.892 6.652 542 HZ1 LYS 65 3HZ LYS 65 -0.416 9.091 8.230 543 HZ2 LYS 65 1HZ LYS 65 -1.567 8.758 7.036 544 HZ3 LYS 65 2HZ LYS 65 -1.163 10.360 7.399 545 H LEU 66 H LEU 66 1.825 12.259 0.573 546 HA LEU 66 HA LEU 66 -0.065 14.070 -0.682 547 HB2 LEU 66 2HB LEU 66 2.796 13.511 -0.868 548 HB3 LEU 66 3HB LEU 66 2.032 13.804 -2.428 549 HG LEU 66 HG LEU 66 1.895 15.697 -0.084 550 HD11 LEU 66 1HD1 LEU 66 4.095 15.928 -0.618 551 HD12 LEU 66 2HD1 LEU 66 3.398 17.014 -1.819 552 HD13 LEU 66 3HD1 LEU 66 3.868 15.378 -2.278 553 HD21 LEU 66 3HD2 LEU 66 0.437 15.518 -2.516 554 HD22 LEU 66 1HD2 LEU 66 1.491 16.930 -2.603 555 HD23 LEU 66 2HD2 LEU 66 0.352 16.761 -1.267 556 H LYS 67 H LYS 67 -0.775 13.841 -2.867 557 HA LYS 67 HA LYS 67 -1.662 11.220 -3.497 558 HB2 LYS 67 2HB LYS 67 -2.051 13.922 -4.519 559 HB3 LYS 67 3HB LYS 67 -1.987 12.726 -5.807 560 HG2 LYS 67 2HG LYS 67 -4.092 12.196 -5.396 561 HG3 LYS 67 3HG LYS 67 -3.635 11.668 -3.775 562 HD2 LYS 67 2HD LYS 67 -4.206 13.700 -2.814 563 HD3 LYS 67 3HD LYS 67 -4.069 14.574 -4.342 564 HE2 LYS 67 2HE LYS 67 -6.062 12.636 -4.726 565 HE3 LYS 67 3HE LYS 67 -6.372 13.344 -3.142 566 HZ1 LYS 67 3HZ LYS 67 -7.491 14.526 -4.968 567 HZ2 LYS 67 1HZ LYS 67 -5.984 14.909 -5.635 568 HZ3 LYS 67 2HZ LYS 67 -6.417 15.519 -4.118 569 HA PRO 68 HA PRO 68 1.496 9.613 -6.085 570 HB2 PRO 68 2HB PRO 68 0.078 8.393 -8.051 571 HB3 PRO 68 3HB PRO 68 0.168 7.766 -6.401 572 HG2 PRO 68 2HG PRO 68 -1.993 9.380 -7.700 573 HG3 PRO 68 3HG PRO 68 -2.137 7.971 -6.632 574 HD2 PRO 68 2HD PRO 68 -2.490 10.508 -5.753 575 HD3 PRO 68 3HD PRO 68 -1.816 9.226 -4.725 576 H ASN 69 H ASN 69 -1.033 11.431 -7.765 577 HA ASN 69 HA ASN 69 0.594 11.899 -10.091 578 HB2 ASN 69 2HB ASN 69 -1.280 13.464 -10.719 579 HB3 ASN 69 3HB ASN 69 -1.772 11.797 -10.437 580 HD21 ASN 69 1HD2 ASN 69 -3.213 11.353 -8.872 581 HD22 ASN 69 2HD2 ASN 69 -3.931 12.540 -7.841 582 H THR 70 H THR 70 0.291 13.309 -7.015 583 HA THR 70 HA THR 70 0.565 15.943 -7.108 584 HB THR 70 HB THR 70 2.450 14.091 -5.641 585 HG1 THR 70 HG1 THR 70 -0.056 15.266 -5.086 586 HG21 THR 70 3HG2 THR 70 2.615 16.177 -4.109 587 HG22 THR 70 1HG2 THR 70 2.122 17.069 -5.547 588 HG23 THR 70 2HG2 THR 70 3.603 16.110 -5.568 589 H LYS 71 H LYS 71 1.729 17.447 -8.117 590 HA LYS 71 HA LYS 71 4.033 16.587 -9.706 591 HB2 LYS 71 2HB LYS 71 2.678 19.277 -9.818 592 HB3 LYS 71 3HB LYS 71 3.707 18.531 -11.034 593 HG2 LYS 71 2HG LYS 71 1.838 17.893 -12.044 594 HG3 LYS 71 3HG LYS 71 1.636 16.727 -10.734 595 HD2 LYS 71 2HD LYS 71 0.516 18.693 -9.478 596 HD3 LYS 71 3HD LYS 71 0.375 19.425 -11.079 597 HE2 LYS 71 2HE LYS 71 -0.884 17.523 -11.877 598 HE3 LYS 71 3HE LYS 71 -0.655 16.687 -10.342 599 HZ1 LYS 71 3HZ LYS 71 -1.849 18.637 -9.310 600 HZ2 LYS 71 1HZ LYS 71 -2.795 17.605 -10.260 601 HZ3 LYS 71 2HZ LYS 71 -2.288 19.096 -10.878 602 H ILE 72 H ILE 72 6.027 17.649 -9.622 603 HA ILE 72 HA ILE 72 6.447 19.300 -7.215 604 HB ILE 72 HB ILE 72 8.447 17.425 -8.483 605 HG12 ILE 72 2HG1 ILE 72 6.657 16.153 -7.432 606 HG13 ILE 72 3HG1 ILE 72 8.115 16.047 -6.451 607 HG21 ILE 72 1HG2 ILE 72 9.221 18.005 -5.889 608 HG22 ILE 72 2HG2 ILE 72 9.924 18.660 -7.366 609 HG23 ILE 72 3HG2 ILE 72 8.655 19.549 -6.524 610 HD11 ILE 72 3HD1 ILE 72 7.213 17.738 -4.938 611 HD12 ILE 72 1HD1 ILE 72 5.750 17.830 -5.919 612 HD13 ILE 72 2HD1 ILE 72 6.149 16.337 -5.067 613 H MET 73 H MET 73 7.245 21.272 -7.531 614 HA MET 73 HA MET 73 8.227 21.962 -10.206 615 HB2 MET 73 2HB MET 73 7.259 23.705 -7.934 616 HB3 MET 73 3HB MET 73 7.864 24.317 -9.468 617 HG2 MET 73 2HG MET 73 6.046 23.375 -10.661 618 HG3 MET 73 3HG MET 73 5.523 22.449 -9.256 619 HE1 MET 73 3HE MET 73 5.287 26.914 -9.963 620 HE2 MET 73 1HE MET 73 6.157 25.677 -10.870 621 HE3 MET 73 2HE MET 73 4.425 25.897 -11.118 622 H MET 74 H MET 74 10.215 22.884 -10.552 623 HA MET 74 HA MET 74 11.970 23.243 -8.226 624 HB2 MET 74 2HB MET 74 12.694 21.734 -10.744 625 HB3 MET 74 3HB MET 74 13.810 22.134 -9.445 626 HG2 MET 74 2HG MET 74 12.522 20.762 -7.901 627 HG3 MET 74 3HG MET 74 11.382 20.376 -9.188 628 HE1 MET 74 3HE MET 74 12.923 17.879 -11.356 629 HE2 MET 74 1HE MET 74 11.818 19.245 -11.197 630 HE3 MET 74 2HE MET 74 13.448 19.498 -11.823 631 H MET 75 H MET 75 12.718 25.250 -8.244 632 HA MET 75 HA MET 75 13.014 26.628 -10.823 633 HB2 MET 75 2HB MET 75 12.729 27.727 -8.023 634 HB3 MET 75 3HB MET 75 13.006 28.714 -9.451 635 HG2 MET 75 2HG MET 75 10.753 26.921 -9.776 636 HG3 MET 75 3HG MET 75 10.565 27.996 -8.393 637 HE1 MET 75 3HE MET 75 8.292 29.518 -10.925 638 HE2 MET 75 1HE MET 75 8.531 28.537 -9.479 639 HE3 MET 75 2HE MET 75 8.758 30.284 -9.406 640 H GLY 76 H GLY 76 14.989 27.023 -11.579 641 HA2 GLY 76 2HA GLY 76 17.162 28.057 -10.322 642 HA3 GLY 76 3HA GLY 76 17.302 26.335 -10.001 643 H THR 77 H THR 77 19.260 26.297 -11.195 644 HA THR 77 HA THR 77 18.810 26.177 -14.096 645 HB THR 77 HB THR 77 19.942 28.273 -13.779 646 HG1 THR 77 HG1 THR 77 21.916 27.775 -14.917 647 HG21 THR 77 3HG2 THR 77 22.454 27.426 -12.699 648 HG22 THR 77 1HG2 THR 77 21.159 26.964 -11.595 649 HG23 THR 77 2HG2 THR 77 21.340 28.648 -12.087 650 H ARG 78 H ARG 78 19.938 24.589 -15.184 651 HA ARG 78 HA ARG 78 20.643 22.282 -13.755 652 HB2 ARG 78 2HB ARG 78 20.950 23.169 -16.594 653 HB3 ARG 78 3HB ARG 78 21.780 21.712 -16.062 654 HG2 ARG 78 2HG ARG 78 19.894 20.658 -16.604 655 HG3 ARG 78 3HG ARG 78 19.253 21.319 -15.099 656 HD2 ARG 78 2HD ARG 78 17.645 22.093 -16.496 657 HD3 ARG 78 3HD ARG 78 18.801 23.408 -16.699 658 HE ARG 78 HE ARG 78 19.401 21.458 -18.594 659 HH11 ARG 78 1HH1 ARG 78 16.812 23.656 -17.830 660 HH12 ARG 78 2HH1 ARG 78 16.287 23.816 -19.473 661 HH21 ARG 78 1HH2 ARG 78 18.719 21.660 -20.762 662 HH22 ARG 78 2HH2 ARG 78 17.372 22.679 -21.140 663 H GLU 79 H GLU 79 22.745 21.181 -13.762 664 HA GLU 79 HA GLU 79 24.737 22.626 -12.514 665 HB2 GLU 79 2HB GLU 79 26.249 20.684 -13.221 666 HB3 GLU 79 3HB GLU 79 24.826 20.293 -12.266 667 HG2 GLU 79 2HG GLU 79 23.961 19.028 -13.876 668 HG3 GLU 79 3HG GLU 79 24.309 20.224 -15.123 669 H GLU 80 H GLU 80 26.650 23.583 -13.142 670 HA GLU 80 HA GLU 80 26.696 24.597 -15.848 671 HB2 GLU 80 2HB GLU 80 28.455 25.107 -13.448 672 HB3 GLU 80 3HB GLU 80 28.706 25.869 -15.012 673 HG2 GLU 80 2HG GLU 80 26.010 26.284 -14.380 674 HG3 GLU 80 3HG GLU 80 26.915 26.597 -12.900 675 H SER 81 H SER 81 29.011 22.853 -13.770 676 HA SER 81 HA SER 81 29.800 21.029 -15.752 677 HB2 SER 81 2HB SER 81 31.025 23.616 -15.983 678 HB3 SER 81 3HB SER 81 32.252 22.431 -15.534 679 HG SER 81 HG SER 81 32.163 22.278 -17.695 680 HN1 NH2 90 H1 NH2 90 30.723 20.899 -11.974
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