NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
502251 | 2kx3 | 16899 | 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 1.586 -0.648 -1.942 3 HB2 MET 1 1HB MET 1 2.755 2.031 -1.177 4 HB3 MET 1 2HB MET 1 2.626 1.365 -2.799 5 HG2 MET 1 1HG MET 1 0.155 1.401 -2.551 6 HG3 MET 1 2HG MET 1 0.369 2.224 -1.008 7 HE1 MET 1 3HE MET 1 0.036 5.727 -2.050 8 HE2 MET 1 1HE MET 1 -0.941 4.368 -1.492 9 HE3 MET 1 2HE MET 1 0.614 4.708 -0.731 10 H ALA 2 H ALA 2 3.513 -1.379 -2.824 11 HA ALA 2 HA ALA 2 5.721 -1.673 -0.897 12 HB1 ALA 2 1HB ALA 2 6.207 -3.546 -2.824 13 HB2 ALA 2 2HB ALA 2 5.373 -3.847 -1.299 14 HB3 ALA 2 3HB ALA 2 4.445 -3.525 -2.764 15 H LEU 3 H LEU 3 6.998 0.067 -1.353 16 HA LEU 3 HA LEU 3 7.684 0.680 -4.113 17 HB2 LEU 3 1HB LEU 3 8.728 2.006 -1.624 18 HB3 LEU 3 2HB LEU 3 8.737 2.639 -3.269 19 HG LEU 3 HG LEU 3 6.122 2.468 -2.993 20 HD11 LEU 3 1HD1 LEU 3 5.720 3.256 -0.529 21 HD12 LEU 3 2HD1 LEU 3 7.180 2.319 -0.212 22 HD13 LEU 3 3HD1 LEU 3 5.770 1.538 -0.927 23 HD21 LEU 3 3HD2 LEU 3 8.000 4.492 -2.896 24 HD22 LEU 3 1HD2 LEU 3 7.023 4.757 -1.452 25 HD23 LEU 3 2HD2 LEU 3 6.253 4.692 -3.038 26 HA PRO 4 HA PRO 4 11.442 -1.610 -4.137 27 HB2 PRO 4 1HB PRO 4 12.783 -0.224 -6.048 28 HB3 PRO 4 2HB PRO 4 11.436 -1.309 -6.415 29 HG2 PRO 4 1HG PRO 4 11.449 1.673 -6.152 30 HG3 PRO 4 2HG PRO 4 10.640 0.660 -7.362 31 HD2 PRO 4 1HD PRO 4 9.331 1.724 -5.244 32 HD3 PRO 4 2HD PRO 4 8.885 0.159 -5.955 33 H MET 5 H MET 5 11.904 -0.770 -1.915 34 HA MET 5 HA MET 5 14.158 1.127 -1.986 35 HB2 MET 5 1HB MET 5 12.580 0.756 0.517 36 HB3 MET 5 2HB MET 5 13.458 2.169 -0.055 37 HG2 MET 5 1HG MET 5 11.705 2.535 -1.747 38 HG3 MET 5 2HG MET 5 10.813 1.169 -1.082 39 HE1 MET 5 3HE MET 5 9.979 3.881 -1.745 40 HE2 MET 5 1HE MET 5 8.764 4.102 -0.486 41 HE3 MET 5 2HE MET 5 10.158 5.180 -0.564 42 H ILE 6 H ILE 6 15.648 0.845 -0.067 43 HA ILE 6 HA ILE 6 16.028 -2.032 0.439 44 HB ILE 6 HB ILE 6 18.039 0.191 0.157 45 HG12 ILE 6 1HG1 ILE 6 19.003 -1.602 -1.444 46 HG13 ILE 6 2HG1 ILE 6 17.418 -2.357 -1.319 47 HG21 ILE 6 1HG2 ILE 6 18.341 -2.509 1.418 48 HG22 ILE 6 2HG2 ILE 6 19.705 -1.710 0.640 49 HG23 ILE 6 3HG2 ILE 6 18.894 -0.940 2.003 50 HD11 ILE 6 3HD1 ILE 6 18.121 -0.497 -3.161 51 HD12 ILE 6 1HD1 ILE 6 16.467 -0.846 -2.659 52 HD13 ILE 6 2HD1 ILE 6 17.344 0.500 -1.932 53 H VAL 7 H VAL 7 16.169 -2.755 2.484 54 HA VAL 7 HA VAL 7 15.886 -0.772 4.631 55 HB VAL 7 HB VAL 7 14.125 -2.504 4.451 56 HG11 VAL 7 1HG1 VAL 7 14.543 -4.692 4.286 57 HG12 VAL 7 2HG1 VAL 7 16.209 -4.224 3.938 58 HG13 VAL 7 3HG1 VAL 7 15.737 -4.649 5.583 59 HG21 VAL 7 3HG2 VAL 7 14.927 -3.424 6.959 60 HG22 VAL 7 1HG2 VAL 7 15.679 -1.838 6.788 61 HG23 VAL 7 2HG2 VAL 7 13.933 -2.009 6.613 62 H LYS 8 H LYS 8 17.390 -0.527 6.171 63 HA LYS 8 HA LYS 8 19.451 -2.576 6.515 64 HB2 LYS 8 1HB LYS 8 20.317 -0.908 4.889 65 HB3 LYS 8 2HB LYS 8 20.088 0.350 6.096 66 HG2 LYS 8 1HG LYS 8 21.772 -0.541 7.488 67 HG3 LYS 8 2HG LYS 8 21.835 -2.047 6.570 68 HD2 LYS 8 1HD LYS 8 23.697 -0.935 5.778 69 HD3 LYS 8 2HD LYS 8 22.477 -0.488 4.583 70 HE2 LYS 8 1HE LYS 8 23.690 1.484 5.187 71 HE3 LYS 8 2HE LYS 8 22.073 1.601 5.879 72 HZ1 LYS 8 3HZ LYS 8 24.340 2.012 7.248 73 HZ2 LYS 8 1HZ LYS 8 24.046 0.385 7.607 74 HZ3 LYS 8 2HZ LYS 8 22.874 1.553 7.956 75 H TRP 9 H TRP 9 18.183 -2.910 8.468 76 HA TRP 9 HA TRP 9 18.177 -0.808 10.456 77 HB2 TRP 9 1HB TRP 9 16.309 -2.481 10.179 78 HB3 TRP 9 2HB TRP 9 17.400 -3.705 10.822 79 HD1 TRP 9 HD1 TRP 9 17.261 -0.167 12.295 80 HE1 TRP 9 HE1 TRP 9 16.374 -0.321 14.706 81 HE3 TRP 9 HE3 TRP 9 15.994 -5.119 12.379 82 HZ2 TRP 9 HZ2 TRP 9 15.282 -2.282 16.418 83 HZ3 TRP 9 HZ3 TRP 9 15.034 -6.056 14.442 84 HH2 TRP 9 HH2 TRP 9 14.687 -4.666 16.419 85 H GLY 10 H GLY 10 20.739 -1.103 9.870 86 HA2 GLY 10 1HA GLY 10 22.791 -1.423 10.850 87 HA3 GLY 10 2HA GLY 10 21.930 -1.813 12.332 88 H GLY 11 H GLY 11 21.469 -3.967 12.830 89 HA2 GLY 11 1HA GLY 11 23.377 -5.853 11.953 90 HA3 GLY 11 2HA GLY 11 21.963 -6.207 12.933 91 H GLN 12 H GLN 12 19.891 -5.606 11.280 92 HA GLN 12 HA GLN 12 20.193 -7.659 9.211 93 HB2 GLN 12 1HB GLN 12 17.735 -6.463 10.496 94 HB3 GLN 12 2HB GLN 12 17.689 -7.638 9.189 95 HG2 GLN 12 1HG GLN 12 18.354 -9.363 10.523 96 HG3 GLN 12 2HG GLN 12 19.237 -8.313 11.630 97 HE21 GLN 12 2HE2 GLN 12 15.911 -8.831 10.500 98 HE22 GLN 12 1HE2 GLN 12 15.179 -8.689 12.058 99 H GLU 13 H GLU 13 20.534 -7.003 7.202 100 HA GLU 13 HA GLU 13 19.223 -4.532 6.286 101 HB2 GLU 13 1HB GLU 13 21.575 -4.033 6.634 102 HB3 GLU 13 2HB GLU 13 22.043 -5.432 5.678 103 HG2 GLU 13 1HG GLU 13 21.014 -4.404 3.700 104 HG3 GLU 13 2HG GLU 13 20.605 -2.989 4.668 105 H TYR 14 H TYR 14 17.635 -5.368 5.051 106 HA TYR 14 HA TYR 14 18.358 -7.409 3.059 107 HB2 TYR 14 1HB TYR 14 15.551 -6.647 3.847 108 HB3 TYR 14 2HB TYR 14 16.096 -8.110 3.035 109 HD1 TYR 14 HD2 TYR 14 18.068 -9.328 4.548 110 HD2 TYR 14 HD1 TYR 14 14.818 -6.996 5.996 111 HE1 TYR 14 HE2 TYR 14 18.213 -10.482 6.715 112 HE2 TYR 14 HE1 TYR 14 14.955 -8.142 8.168 113 HH TYR 14 HH TYR 14 15.787 -10.229 9.099 114 H SER 15 H SER 15 16.479 -7.167 1.188 115 HA SER 15 HA SER 15 16.661 -4.386 0.235 116 HB2 SER 15 1HB SER 15 17.096 -5.189 -2.021 117 HB3 SER 15 2HB SER 15 18.307 -5.849 -0.923 118 HG SER 15 HG SER 15 16.961 -7.240 -2.555 119 H VAL 16 H VAL 16 14.655 -3.616 0.243 120 HA VAL 16 HA VAL 16 12.405 -5.381 -0.351 121 HB VAL 16 HB VAL 16 12.205 -2.475 0.405 122 HG11 VAL 16 1HG1 VAL 16 10.184 -4.128 1.516 123 HG12 VAL 16 2HG1 VAL 16 10.024 -2.866 0.293 124 HG13 VAL 16 3HG1 VAL 16 10.342 -4.532 -0.193 125 HG21 VAL 16 3HG2 VAL 16 12.665 -4.855 2.178 126 HG22 VAL 16 1HG2 VAL 16 13.522 -3.314 2.156 127 HG23 VAL 16 2HG2 VAL 16 11.868 -3.395 2.764 128 H THR 17 H THR 17 14.113 -4.779 -2.519 129 HA THR 17 HA THR 17 13.114 -2.643 -4.102 130 HB THR 17 HB THR 17 15.328 -3.546 -4.531 131 HG1 THR 17 HG1 THR 17 15.129 -3.269 -6.649 132 HG21 THR 17 3HG2 THR 17 14.021 -6.043 -4.323 133 HG22 THR 17 1HG2 THR 17 15.740 -5.735 -4.569 134 HG23 THR 17 2HG2 THR 17 14.672 -5.936 -5.958 135 H THR 18 H THR 18 12.187 -3.096 -6.345 136 HA THR 18 HA THR 18 9.780 -4.688 -5.986 137 HB THR 18 HB THR 18 9.566 -2.402 -6.870 138 HG1 THR 18 HG1 THR 18 8.900 -4.130 -9.003 139 HG21 THR 18 3HG2 THR 18 10.344 -1.843 -9.099 140 HG22 THR 18 1HG2 THR 18 11.036 -3.453 -9.290 141 HG23 THR 18 2HG2 THR 18 11.710 -2.339 -8.100 142 H LEU 19 H LEU 19 12.829 -5.191 -7.202 143 HA LEU 19 HA LEU 19 13.766 -6.887 -8.395 144 HB2 LEU 19 1HB LEU 19 11.075 -8.154 -8.728 145 HB3 LEU 19 2HB LEU 19 12.655 -8.923 -8.589 146 HG LEU 19 HG LEU 19 11.313 -7.495 -6.301 147 HD11 LEU 19 1HD1 LEU 19 10.316 -9.751 -7.476 148 HD12 LEU 19 2HD1 LEU 19 10.090 -9.293 -5.788 149 HD13 LEU 19 3HD1 LEU 19 11.377 -10.414 -6.232 150 HD21 LEU 19 3HD2 LEU 19 13.773 -9.131 -6.666 151 HD22 LEU 19 1HD2 LEU 19 12.899 -9.245 -5.138 152 HD23 LEU 19 2HD2 LEU 19 13.509 -7.685 -5.689 153 H SER 20 H SER 20 13.150 -8.281 -10.577 154 HA SER 20 HA SER 20 13.035 -6.283 -12.610 155 HB2 SER 20 1HB SER 20 13.021 -9.304 -12.814 156 HB3 SER 20 2HB SER 20 13.222 -8.202 -14.176 157 HG SER 20 HG SER 20 15.001 -8.884 -12.157 158 H GLU 21 H GLU 21 11.549 -6.336 -14.453 159 HA GLU 21 HA GLU 21 8.884 -6.095 -13.690 160 HB2 GLU 21 1HB GLU 21 8.379 -6.053 -16.116 161 HB3 GLU 21 2HB GLU 21 9.721 -5.005 -15.679 162 HG2 GLU 21 1HG GLU 21 11.270 -6.829 -16.399 163 HG3 GLU 21 2HG GLU 21 9.863 -7.693 -17.015 164 H ASP 22 H ASP 22 10.609 -8.829 -15.093 165 HA ASP 22 HA ASP 22 8.422 -10.474 -15.663 166 HB2 ASP 22 1HB ASP 22 10.959 -10.766 -16.196 167 HB3 ASP 22 2HB ASP 22 11.009 -11.607 -14.649 168 H ASP 23 H ASP 23 10.103 -9.834 -12.657 169 HA ASP 23 HA ASP 23 8.621 -11.902 -11.247 170 HB2 ASP 23 1HB ASP 23 10.593 -9.864 -10.192 171 HB3 ASP 23 2HB ASP 23 9.940 -11.232 -9.295 172 H THR 24 H THR 24 7.986 -10.947 -8.873 173 HA THR 24 HA THR 24 6.519 -8.445 -9.159 174 HB THR 24 HB THR 24 4.537 -9.859 -8.016 175 HG1 THR 24 HG1 THR 24 6.030 -11.783 -8.652 176 HG21 THR 24 3HG2 THR 24 5.071 -8.714 -10.573 177 HG22 THR 24 1HG2 THR 24 3.519 -8.927 -9.764 178 HG23 THR 24 2HG2 THR 24 4.154 -10.203 -10.803 179 H VAL 25 H VAL 25 5.443 -7.831 -7.066 180 HA VAL 25 HA VAL 25 7.297 -7.857 -4.970 181 HB VAL 25 HB VAL 25 4.353 -7.198 -4.960 182 HG11 VAL 25 1HG1 VAL 25 6.406 -6.970 -2.777 183 HG12 VAL 25 2HG1 VAL 25 4.940 -5.988 -2.805 184 HG13 VAL 25 3HG1 VAL 25 4.824 -7.746 -2.717 185 HG21 VAL 25 3HG2 VAL 25 5.122 -4.889 -4.944 186 HG22 VAL 25 1HG2 VAL 25 6.799 -5.433 -4.931 187 HG23 VAL 25 2HG2 VAL 25 5.781 -5.749 -6.335 188 H LEU 26 H LEU 26 4.770 -10.071 -5.801 189 HA LEU 26 HA LEU 26 4.323 -11.264 -3.298 190 HB2 LEU 26 1HB LEU 26 3.452 -13.162 -4.555 191 HB3 LEU 26 2HB LEU 26 2.858 -11.632 -5.195 192 HG LEU 26 HG LEU 26 4.921 -11.986 -6.848 193 HD11 LEU 26 1HD1 LEU 26 5.031 -14.338 -5.448 194 HD12 LEU 26 2HD1 LEU 26 5.705 -14.065 -7.054 195 HD13 LEU 26 3HD1 LEU 26 4.105 -14.785 -6.881 196 HD21 LEU 26 3HD2 LEU 26 2.802 -11.623 -7.750 197 HD22 LEU 26 1HD2 LEU 26 2.124 -13.058 -6.981 198 HD23 LEU 26 2HD2 LEU 26 3.236 -13.228 -8.340 199 H ASP 27 H ASP 27 6.779 -11.803 -5.754 200 HA ASP 27 HA ASP 27 7.844 -14.203 -4.777 201 HB2 ASP 27 1HB ASP 27 8.349 -12.981 -6.985 202 HB3 ASP 27 2HB ASP 27 9.517 -12.049 -6.052 203 H LEU 28 H LEU 28 9.350 -10.990 -4.419 204 HA LEU 28 HA LEU 28 11.176 -11.655 -2.464 205 HB2 LEU 28 1HB LEU 28 11.485 -9.377 -2.107 206 HB3 LEU 28 2HB LEU 28 10.905 -9.478 -3.768 207 HG LEU 28 HG LEU 28 8.571 -9.039 -2.576 208 HD11 LEU 28 1HD1 LEU 28 9.522 -7.094 -0.874 209 HD12 LEU 28 2HD1 LEU 28 10.555 -8.480 -0.529 210 HD13 LEU 28 3HD1 LEU 28 8.803 -8.633 -0.399 211 HD21 LEU 28 3HD2 LEU 28 10.284 -7.610 -4.159 212 HD22 LEU 28 1HD2 LEU 28 10.086 -6.547 -2.765 213 HD23 LEU 28 2HD2 LEU 28 8.671 -7.089 -3.669 214 H LYS 29 H LYS 29 7.780 -10.821 -2.118 215 HA LYS 29 HA LYS 29 7.614 -10.380 0.607 216 HB2 LYS 29 1HB LYS 29 5.771 -10.211 -1.146 217 HB3 LYS 29 2HB LYS 29 5.556 -11.945 -0.947 218 HG2 LYS 29 1HG LYS 29 5.468 -10.147 1.435 219 HG3 LYS 29 2HG LYS 29 4.061 -10.300 0.381 220 HD2 LYS 29 1HD LYS 29 4.462 -12.858 0.682 221 HD3 LYS 29 2HD LYS 29 5.374 -12.359 2.108 222 HE2 LYS 29 1HE LYS 29 3.245 -10.953 2.634 223 HE3 LYS 29 2HE LYS 29 2.456 -12.070 1.521 224 HZ1 LYS 29 3HZ LYS 29 2.191 -13.023 3.616 225 HZ2 LYS 29 1HZ LYS 29 3.775 -12.673 4.096 226 HZ3 LYS 29 2HZ LYS 29 3.487 -13.882 2.948 227 H GLN 30 H GLN 30 7.329 -13.487 -1.109 228 HA GLN 30 HA GLN 30 7.053 -15.058 1.222 229 HB2 GLN 30 1HB GLN 30 7.966 -15.765 -1.568 230 HB3 GLN 30 2HB GLN 30 7.702 -16.956 -0.301 231 HG2 GLN 30 1HG GLN 30 5.366 -16.336 -0.164 232 HG3 GLN 30 2HG GLN 30 5.611 -15.075 -1.371 233 HE21 GLN 30 2HE2 GLN 30 3.793 -17.308 -1.469 234 HE22 GLN 30 1HE2 GLN 30 4.220 -18.237 -2.861 235 H PHE 31 H PHE 31 9.816 -13.802 -0.487 236 HA PHE 31 HA PHE 31 11.735 -15.511 0.780 237 HB2 PHE 31 1HB PHE 31 11.828 -13.157 -1.039 238 HB3 PHE 31 2HB PHE 31 13.266 -13.497 -0.083 239 HD1 PHE 31 HD2 PHE 31 10.786 -15.474 -2.058 240 HD2 PHE 31 HD1 PHE 31 14.876 -14.693 -1.175 241 HE1 PHE 31 HE2 PHE 31 11.462 -17.184 -3.692 242 HE2 PHE 31 HE1 PHE 31 15.559 -16.402 -2.809 243 HZ PHE 31 HZ PHE 31 13.851 -17.651 -4.069 244 H LEU 32 H LEU 32 10.240 -12.460 1.511 245 HA LEU 32 HA LEU 32 12.155 -11.719 3.531 246 HB2 LEU 32 1HB LEU 32 9.458 -10.636 2.755 247 HB3 LEU 32 2HB LEU 32 10.409 -9.980 4.087 248 HG LEU 32 HG LEU 32 11.124 -9.966 1.157 249 HD11 LEU 32 1HD1 LEU 32 9.455 -8.301 1.934 250 HD12 LEU 32 2HD1 LEU 32 10.951 -7.581 1.342 251 HD13 LEU 32 3HD1 LEU 32 10.653 -7.691 3.076 252 HD21 LEU 32 3HD2 LEU 32 13.188 -10.283 2.178 253 HD22 LEU 32 1HD2 LEU 32 12.740 -9.344 3.602 254 HD23 LEU 32 2HD2 LEU 32 13.059 -8.527 2.072 255 H LYS 33 H LYS 33 8.913 -13.124 3.448 256 HA LYS 33 HA LYS 33 8.584 -13.181 6.279 257 HB2 LYS 33 1HB LYS 33 6.656 -14.631 5.813 258 HB3 LYS 33 2HB LYS 33 6.657 -13.206 4.783 259 HG2 LYS 33 1HG LYS 33 6.162 -14.776 3.226 260 HG3 LYS 33 2HG LYS 33 7.924 -14.848 3.137 261 HD2 LYS 33 1HD LYS 33 7.604 -17.058 3.430 262 HD3 LYS 33 2HD LYS 33 7.441 -16.618 5.132 263 HE2 LYS 33 1HE LYS 33 4.969 -16.348 4.696 264 HE3 LYS 33 2HE LYS 33 5.249 -17.091 3.122 265 HZ1 LYS 33 3HZ LYS 33 6.461 -18.720 5.015 266 HZ2 LYS 33 1HZ LYS 33 5.077 -19.053 4.100 267 HZ3 LYS 33 2HZ LYS 33 4.931 -18.340 5.627 268 H THR 34 H THR 34 10.102 -15.259 3.961 269 HA THR 34 HA THR 34 10.241 -17.506 5.800 270 HB THR 34 HB THR 34 9.931 -17.818 3.318 271 HG1 THR 34 HG1 THR 34 10.641 -19.581 4.482 272 HG21 THR 34 3HG2 THR 34 11.792 -17.590 1.841 273 HG22 THR 34 1HG2 THR 34 12.878 -17.193 3.172 274 HG23 THR 34 2HG2 THR 34 11.616 -16.057 2.694 275 H LEU 35 H LEU 35 12.253 -14.911 4.616 276 HA LEU 35 HA LEU 35 14.669 -16.016 5.770 277 HB2 LEU 35 1HB LEU 35 14.852 -14.772 3.715 278 HB3 LEU 35 2HB LEU 35 14.078 -13.371 4.453 279 HG LEU 35 HG LEU 35 16.184 -13.579 6.080 280 HD11 LEU 35 1HD1 LEU 35 18.123 -14.004 4.367 281 HD12 LEU 35 2HD1 LEU 35 16.920 -15.030 3.587 282 HD13 LEU 35 3HD1 LEU 35 17.394 -15.341 5.257 283 HD21 LEU 35 3HD2 LEU 35 16.579 -12.322 3.390 284 HD22 LEU 35 1HD2 LEU 35 17.067 -11.732 4.979 285 HD23 LEU 35 2HD2 LEU 35 15.366 -11.703 4.512 286 H THR 36 H THR 36 12.520 -13.251 6.372 287 HA THR 36 HA THR 36 13.813 -12.872 8.984 288 HB THR 36 HB THR 36 13.271 -10.657 8.928 289 HG1 THR 36 HG1 THR 36 11.384 -9.865 7.860 290 HG21 THR 36 3HG2 THR 36 13.523 -9.743 6.690 291 HG22 THR 36 1HG2 THR 36 13.093 -11.299 5.982 292 HG23 THR 36 2HG2 THR 36 14.591 -11.130 6.897 293 H GLY 37 H GLY 37 10.659 -13.302 7.436 294 HA2 GLY 37 1HA GLY 37 8.605 -13.876 8.296 295 HA3 GLY 37 2HA GLY 37 9.534 -14.867 9.411 296 H VAL 38 H VAL 38 9.916 -11.410 9.366 297 HA VAL 38 HA VAL 38 8.543 -11.280 11.970 298 HB VAL 38 HB VAL 38 10.806 -9.561 10.944 299 HG11 VAL 38 1HG1 VAL 38 9.837 -8.070 12.343 300 HG12 VAL 38 2HG1 VAL 38 8.972 -9.315 13.247 301 HG13 VAL 38 3HG1 VAL 38 10.681 -9.017 13.568 302 HG21 VAL 38 3HG2 VAL 38 10.698 -12.031 12.510 303 HG22 VAL 38 1HG2 VAL 38 12.038 -11.308 11.619 304 HG23 VAL 38 2HG2 VAL 38 11.661 -10.752 13.250 305 H LEU 39 H LEU 39 8.827 -9.893 8.797 306 HA LEU 39 HA LEU 39 7.556 -7.441 9.175 307 HB2 LEU 39 1HB LEU 39 7.133 -9.117 6.727 308 HB3 LEU 39 2HB LEU 39 7.254 -7.364 6.856 309 HG LEU 39 HG LEU 39 9.475 -9.391 6.977 310 HD11 LEU 39 1HD1 LEU 39 8.862 -8.789 4.750 311 HD12 LEU 39 2HD1 LEU 39 10.364 -7.954 5.143 312 HD13 LEU 39 3HD1 LEU 39 8.836 -7.074 5.162 313 HD21 LEU 39 3HD2 LEU 39 9.528 -6.465 7.699 314 HD22 LEU 39 1HD2 LEU 39 10.966 -7.425 7.347 315 HD23 LEU 39 2HD2 LEU 39 9.950 -7.834 8.729 316 HA PRO 40 HA PRO 40 3.399 -9.769 8.250 317 HB2 PRO 40 1HB PRO 40 3.428 -12.459 8.618 318 HB3 PRO 40 2HB PRO 40 3.789 -11.698 7.064 319 HG2 PRO 40 1HG PRO 40 5.671 -12.750 9.141 320 HG3 PRO 40 2HG PRO 40 5.739 -12.926 7.378 321 HD2 PRO 40 1HD PRO 40 7.241 -11.117 8.722 322 HD3 PRO 40 2HD PRO 40 6.637 -10.824 7.078 323 H GLU 41 H GLU 41 5.552 -10.200 10.824 324 HA GLU 41 HA GLU 41 3.403 -10.941 12.684 325 HB2 GLU 41 1HB GLU 41 6.408 -10.979 12.978 326 HB3 GLU 41 2HB GLU 41 5.301 -11.278 14.311 327 HG2 GLU 41 1HG GLU 41 4.319 -13.082 12.692 328 HG3 GLU 41 2HG GLU 41 5.906 -12.961 11.933 329 H ARG 42 H ARG 42 6.339 -8.981 13.103 330 HA ARG 42 HA ARG 42 4.689 -6.688 13.867 331 HB2 ARG 42 1HB ARG 42 7.001 -7.527 15.599 332 HB3 ARG 42 2HB ARG 42 5.722 -6.375 15.961 333 HG2 ARG 42 1HG ARG 42 4.199 -8.512 15.696 334 HG3 ARG 42 2HG ARG 42 5.705 -9.339 16.098 335 HD2 ARG 42 1HD ARG 42 5.896 -7.864 18.099 336 HD3 ARG 42 2HD ARG 42 4.296 -7.226 17.721 337 HE ARG 42 HE ARG 42 4.346 -10.084 17.938 338 HH11 ARG 42 1HH1 ARG 42 4.118 -7.101 19.719 339 HH12 ARG 42 2HH1 ARG 42 3.282 -7.814 21.059 340 HH21 ARG 42 1HH2 ARG 42 3.245 -11.033 19.696 341 HH22 ARG 42 2HH2 ARG 42 2.787 -10.050 21.045 342 H GLN 43 H GLN 43 5.493 -4.794 13.178 343 HA GLN 43 HA GLN 43 8.295 -4.346 12.786 344 HB2 GLN 43 1HB GLN 43 7.893 -3.776 10.290 345 HB3 GLN 43 2HB GLN 43 8.147 -5.455 10.747 346 HG2 GLN 43 1HG GLN 43 5.944 -6.027 10.393 347 HG3 GLN 43 2HG GLN 43 5.375 -4.369 10.577 348 HE21 GLN 43 2HE2 GLN 43 7.996 -5.632 8.578 349 HE22 GLN 43 1HE2 GLN 43 7.322 -5.136 7.067 350 H LYS 44 H LYS 44 8.748 -2.150 12.019 351 HA LYS 44 HA LYS 44 6.493 -0.297 12.107 352 HB2 LYS 44 1HB LYS 44 8.718 -0.424 14.104 353 HB3 LYS 44 2HB LYS 44 8.045 1.142 13.671 354 HG2 LYS 44 1HG LYS 44 6.083 -0.944 14.352 355 HG3 LYS 44 2HG LYS 44 7.117 -0.393 15.672 356 HD2 LYS 44 1HD LYS 44 6.489 1.982 14.839 357 HD3 LYS 44 2HD LYS 44 5.152 1.160 14.029 358 HE2 LYS 44 1HE LYS 44 5.765 1.026 16.981 359 HE3 LYS 44 2HE LYS 44 4.516 2.026 16.241 360 HZ1 LYS 44 3HZ LYS 44 3.144 0.294 16.059 361 HZ2 LYS 44 1HZ LYS 44 4.158 -0.487 17.166 362 HZ3 LYS 44 2HZ LYS 44 4.356 -0.750 15.507 363 H LEU 45 H LEU 45 7.385 -0.542 9.790 364 HA LEU 45 HA LEU 45 9.842 0.740 9.144 365 HB2 LEU 45 1HB LEU 45 7.457 0.273 7.364 366 HB3 LEU 45 2HB LEU 45 9.112 0.594 6.848 367 HG LEU 45 HG LEU 45 9.472 -1.651 8.320 368 HD11 LEU 45 1HD1 LEU 45 6.638 -1.523 7.633 369 HD12 LEU 45 2HD1 LEU 45 7.483 -2.553 8.789 370 HD13 LEU 45 3HD1 LEU 45 7.437 -2.996 7.082 371 HD21 LEU 45 3HD2 LEU 45 9.161 -1.004 5.473 372 HD22 LEU 45 1HD2 LEU 45 8.984 -2.712 5.874 373 HD23 LEU 45 2HD2 LEU 45 10.460 -1.852 6.313 374 H LEU 46 H LEU 46 10.011 2.702 7.804 375 HA LEU 46 HA LEU 46 8.753 4.902 9.056 376 HB2 LEU 46 1HB LEU 46 9.806 6.199 7.147 377 HB3 LEU 46 2HB LEU 46 10.892 5.293 8.199 378 HG LEU 46 HG LEU 46 10.997 3.513 6.470 379 HD11 LEU 46 1HD1 LEU 46 9.027 5.292 5.192 380 HD12 LEU 46 2HD1 LEU 46 9.240 3.547 5.061 381 HD13 LEU 46 3HD1 LEU 46 10.275 4.632 4.134 382 HD21 LEU 46 3HD2 LEU 46 12.861 4.817 6.323 383 HD22 LEU 46 1HD2 LEU 46 11.942 6.297 6.049 384 HD23 LEU 46 2HD2 LEU 46 12.161 5.140 4.736 385 H GLY 47 H GLY 47 7.717 2.834 6.583 386 HA2 GLY 47 1HA GLY 47 5.196 3.953 6.314 387 HA3 GLY 47 2HA GLY 47 6.176 4.654 5.034 388 H LEU 48 H LEU 48 7.805 2.330 4.589 389 HA LEU 48 HA LEU 48 6.198 0.990 2.699 390 HB2 LEU 48 1HB LEU 48 8.636 1.246 2.507 391 HB3 LEU 48 2HB LEU 48 8.847 0.148 3.869 392 HG LEU 48 HG LEU 48 9.206 -0.759 1.494 393 HD11 LEU 48 1HD1 LEU 48 9.153 -2.666 2.619 394 HD12 LEU 48 2HD1 LEU 48 7.394 -2.692 2.499 395 HD13 LEU 48 3HD1 LEU 48 8.173 -1.910 3.875 396 HD21 LEU 48 3HD2 LEU 48 6.819 0.299 0.937 397 HD22 LEU 48 1HD2 LEU 48 6.300 -1.314 1.427 398 HD23 LEU 48 2HD2 LEU 48 7.452 -1.123 0.105 399 H LYS 49 H LYS 49 5.024 -0.832 2.795 400 HA LYS 49 HA LYS 49 3.922 -2.634 3.638 401 HB2 LYS 49 1HB LYS 49 6.640 -2.851 4.782 402 HB3 LYS 49 2HB LYS 49 5.394 -3.785 5.600 403 HG2 LYS 49 1HG LYS 49 5.651 -3.944 2.631 404 HG3 LYS 49 2HG LYS 49 6.763 -4.846 3.664 405 HD2 LYS 49 1HD LYS 49 3.798 -5.009 4.080 406 HD3 LYS 49 2HD LYS 49 4.597 -6.002 2.859 407 HE2 LYS 49 1HE LYS 49 6.211 -6.563 4.865 408 HE3 LYS 49 2HE LYS 49 4.813 -6.091 5.829 409 HZ1 LYS 49 3HZ LYS 49 3.524 -7.709 4.395 410 HZ2 LYS 49 1HZ LYS 49 4.606 -8.384 5.507 411 HZ3 LYS 49 2HZ LYS 49 5.021 -8.298 3.870 412 H VAL 50 H VAL 50 2.476 -0.930 4.522 413 HA VAL 50 HA VAL 50 2.669 -0.368 7.351 414 HB VAL 50 HB VAL 50 0.475 0.786 7.012 415 HG11 VAL 50 1HG1 VAL 50 2.130 1.929 4.875 416 HG12 VAL 50 2HG1 VAL 50 1.559 2.650 6.381 417 HG13 VAL 50 3HG1 VAL 50 2.986 1.613 6.384 418 HG21 VAL 50 3HG2 VAL 50 -0.569 0.926 4.940 419 HG22 VAL 50 1HG2 VAL 50 0.870 0.392 4.070 420 HG23 VAL 50 2HG2 VAL 50 -0.069 -0.764 5.014 421 H LYS 51 H LYS 51 1.054 -0.930 8.901 422 HA LYS 51 HA LYS 51 0.079 -3.631 8.548 423 HB2 LYS 51 1HB LYS 51 -0.399 -3.595 10.895 424 HB3 LYS 51 2HB LYS 51 1.169 -2.835 10.659 425 HG2 LYS 51 1HG LYS 51 -0.154 -0.622 10.652 426 HG3 LYS 51 2HG LYS 51 -1.443 -1.577 11.389 427 HD2 LYS 51 1HD LYS 51 -0.234 -1.968 13.315 428 HD3 LYS 51 2HD LYS 51 1.320 -1.728 12.512 429 HE2 LYS 51 1HE LYS 51 0.859 0.670 12.347 430 HE3 LYS 51 2HE LYS 51 -0.694 0.428 13.146 431 HZ1 LYS 51 3HZ LYS 51 2.003 0.012 14.311 432 HZ2 LYS 51 1HZ LYS 51 0.568 -0.458 15.075 433 HZ3 LYS 51 2HZ LYS 51 0.862 1.178 14.760 434 H GLY 52 H GLY 52 -2.102 -4.284 8.843 435 HA2 GLY 52 1HA GLY 52 -4.407 -4.049 8.811 436 HA3 GLY 52 2HA GLY 52 -4.199 -2.315 9.004 437 H LYS 53 H LYS 53 -2.253 -3.181 6.507 438 HA LYS 53 HA LYS 53 -3.993 -3.612 4.358 439 HB2 LYS 53 1HB LYS 53 -3.814 -1.253 3.369 440 HB3 LYS 53 2HB LYS 53 -4.994 -1.510 4.648 441 HG2 LYS 53 1HG LYS 53 -3.487 -0.522 6.272 442 HG3 LYS 53 2HG LYS 53 -2.254 -0.318 5.026 443 HD2 LYS 53 1HD LYS 53 -4.229 0.974 3.814 444 HD3 LYS 53 2HD LYS 53 -4.776 1.190 5.479 445 HE2 LYS 53 1HE LYS 53 -2.306 1.919 5.894 446 HE3 LYS 53 2HE LYS 53 -2.287 2.180 4.151 447 HZ1 LYS 53 3HZ LYS 53 -4.507 3.313 5.684 448 HZ2 LYS 53 1HZ LYS 53 -3.740 3.905 4.298 449 HZ3 LYS 53 2HZ LYS 53 -2.998 4.066 5.810 450 HA PRO 54 HA PRO 54 0.599 -3.874 3.630 451 HB2 PRO 54 1HB PRO 54 0.570 -6.469 2.833 452 HB3 PRO 54 2HB PRO 54 0.718 -5.986 4.527 453 HG2 PRO 54 1HG PRO 54 -1.703 -6.902 3.023 454 HG3 PRO 54 2HG PRO 54 -1.167 -7.342 4.655 455 HD2 PRO 54 1HD PRO 54 -3.113 -5.514 4.203 456 HD3 PRO 54 2HD PRO 54 -2.006 -5.408 5.587 457 H ALA 55 H ALA 55 1.664 -3.962 1.630 458 HA ALA 55 HA ALA 55 0.345 -3.023 -0.594 459 HB1 ALA 55 1HB ALA 55 2.858 -3.128 -0.114 460 HB2 ALA 55 2HB ALA 55 2.798 -4.730 -0.850 461 HB3 ALA 55 3HB ALA 55 2.333 -3.310 -1.787 462 H GLU 56 H GLU 56 0.243 -4.130 -2.779 463 HA GLU 56 HA GLU 56 -1.073 -6.732 -2.429 464 HB2 GLU 56 1HB GLU 56 -2.283 -4.709 -3.451 465 HB3 GLU 56 2HB GLU 56 -1.276 -4.978 -4.867 466 HG2 GLU 56 1HG GLU 56 -2.315 -6.952 -5.404 467 HG3 GLU 56 2HG GLU 56 -2.845 -7.248 -3.750 468 H ASN 57 H ASN 57 -0.752 -8.387 -4.031 469 HA ASN 57 HA ASN 57 1.989 -8.732 -4.711 470 HB2 ASN 57 1HB ASN 57 1.148 -10.819 -5.854 471 HB3 ASN 57 2HB ASN 57 0.727 -10.683 -4.150 472 HD21 ASN 57 2HD2 ASN 57 -1.378 -10.549 -3.556 473 HD22 ASN 57 1HD2 ASN 57 -2.699 -10.674 -4.662 474 H ASP 58 H ASP 58 -0.853 -7.684 -6.451 475 HA ASP 58 HA ASP 58 -0.021 -8.013 -9.079 476 HB2 ASP 58 1HB ASP 58 -2.258 -7.344 -8.752 477 HB3 ASP 58 2HB ASP 58 -1.789 -5.963 -7.763 478 H VAL 59 H VAL 59 1.068 -5.782 -6.675 479 HA VAL 59 HA VAL 59 2.107 -3.731 -8.258 480 HB VAL 59 HB VAL 59 3.272 -4.794 -5.681 481 HG11 VAL 59 1HG1 VAL 59 3.474 -1.947 -6.129 482 HG12 VAL 59 2HG1 VAL 59 4.735 -3.118 -5.739 483 HG13 VAL 59 3HG1 VAL 59 4.260 -2.859 -7.418 484 HG21 VAL 59 3HG2 VAL 59 1.684 -2.392 -5.459 485 HG22 VAL 59 1HG2 VAL 59 0.738 -3.726 -6.120 486 HG23 VAL 59 2HG2 VAL 59 1.557 -3.910 -4.569 487 H LYS 60 H LYS 60 3.820 -3.558 -9.560 488 HA LYS 60 HA LYS 60 6.019 -5.463 -9.353 489 HB2 LYS 60 1HB LYS 60 5.876 -5.627 -11.958 490 HB3 LYS 60 2HB LYS 60 4.878 -6.673 -10.958 491 HG2 LYS 60 1HG LYS 60 3.223 -5.975 -12.291 492 HG3 LYS 60 2HG LYS 60 3.235 -4.543 -11.259 493 HD2 LYS 60 1HD LYS 60 3.334 -3.620 -13.380 494 HD3 LYS 60 2HD LYS 60 5.037 -3.680 -12.921 495 HE2 LYS 60 1HE LYS 60 5.511 -5.379 -14.382 496 HE3 LYS 60 2HE LYS 60 3.871 -6.024 -14.333 497 HZ1 LYS 60 3HZ LYS 60 3.879 -3.418 -15.442 498 HZ2 LYS 60 1HZ LYS 60 3.348 -4.869 -16.132 499 HZ3 LYS 60 2HZ LYS 60 4.968 -4.405 -16.280 500 H LEU 61 H LEU 61 7.800 -4.854 -10.951 501 HA LEU 61 HA LEU 61 8.687 -2.281 -10.454 502 HB2 LEU 61 1HB LEU 61 10.289 -3.861 -11.098 503 HB3 LEU 61 2HB LEU 61 9.402 -4.294 -12.558 504 HG LEU 61 HG LEU 61 9.975 -2.045 -13.482 505 HD11 LEU 61 1HD1 LEU 61 11.587 -1.909 -10.949 506 HD12 LEU 61 2HD1 LEU 61 10.402 -0.753 -11.556 507 HD13 LEU 61 3HD1 LEU 61 11.955 -0.934 -12.372 508 HD21 LEU 61 3HD2 LEU 61 11.885 -2.850 -14.394 509 HD22 LEU 61 1HD2 LEU 61 11.361 -4.329 -13.588 510 HD23 LEU 61 2HD2 LEU 61 12.575 -3.296 -12.833 511 H GLY 62 H GLY 62 7.072 -3.537 -13.361 512 HA2 GLY 62 1HA GLY 62 7.142 -1.095 -14.798 513 HA3 GLY 62 2HA GLY 62 6.081 -2.456 -15.130 514 H ALA 63 H ALA 63 5.388 -1.939 -12.063 515 HA ALA 63 HA ALA 63 3.196 -0.094 -12.713 516 HB1 ALA 63 1HB ALA 63 3.304 -2.564 -11.301 517 HB2 ALA 63 2HB ALA 63 2.776 -1.300 -10.189 518 HB3 ALA 63 3HB ALA 63 1.898 -1.574 -11.693 519 H LEU 64 H LEU 64 6.111 -0.285 -11.005 520 HA LEU 64 HA LEU 64 5.350 1.985 -9.289 521 HB2 LEU 64 1HB LEU 64 7.730 0.179 -8.934 522 HB3 LEU 64 2HB LEU 64 7.103 1.367 -7.794 523 HG LEU 64 HG LEU 64 5.365 -0.924 -8.588 524 HD11 LEU 64 1HD1 LEU 64 6.416 -2.484 -7.308 525 HD12 LEU 64 2HD1 LEU 64 7.179 -1.283 -6.267 526 HD13 LEU 64 3HD1 LEU 64 7.826 -1.591 -7.878 527 HD21 LEU 64 3HD2 LEU 64 4.104 -0.110 -6.955 528 HD22 LEU 64 1HD2 LEU 64 5.254 1.212 -6.757 529 HD23 LEU 64 2HD2 LEU 64 5.435 -0.262 -5.807 530 H LYS 65 H LYS 65 8.206 0.686 -10.991 531 HA LYS 65 HA LYS 65 9.895 1.703 -12.125 532 HB2 LYS 65 1HB LYS 65 7.654 3.666 -12.573 533 HB3 LYS 65 2HB LYS 65 9.253 3.913 -13.264 534 HG2 LYS 65 1HG LYS 65 9.027 2.208 -14.757 535 HG3 LYS 65 2HG LYS 65 7.933 1.293 -13.717 536 HD2 LYS 65 1HD LYS 65 6.082 2.467 -14.404 537 HD3 LYS 65 2HD LYS 65 7.015 3.909 -14.811 538 HE2 LYS 65 1HE LYS 65 6.142 2.782 -16.809 539 HE3 LYS 65 2HE LYS 65 7.905 2.804 -16.781 540 HZ1 LYS 65 3HZ LYS 65 6.281 0.490 -15.881 541 HZ2 LYS 65 1HZ LYS 65 7.954 0.537 -16.129 542 HZ3 LYS 65 2HZ LYS 65 6.901 0.644 -17.447 543 H LEU 66 H LEU 66 9.566 2.190 -9.249 544 HA LEU 66 HA LEU 66 10.498 4.912 -8.855 545 HB2 LEU 66 1HB LEU 66 9.453 2.751 -7.185 546 HB3 LEU 66 2HB LEU 66 10.776 3.647 -6.442 547 HG LEU 66 HG LEU 66 8.630 5.295 -7.608 548 HD11 LEU 66 1HD1 LEU 66 8.086 3.911 -5.004 549 HD12 LEU 66 2HD1 LEU 66 7.500 3.264 -6.536 550 HD13 LEU 66 3HD1 LEU 66 6.991 4.866 -6.003 551 HD21 LEU 66 3HD2 LEU 66 9.147 6.726 -5.865 552 HD22 LEU 66 1HD2 LEU 66 10.700 5.956 -6.194 553 HD23 LEU 66 2HD2 LEU 66 9.724 5.421 -4.826 554 H LYS 67 H LYS 67 12.358 4.939 -7.034 555 HA LYS 67 HA LYS 67 14.547 3.243 -8.042 556 HB2 LYS 67 1HB LYS 67 16.072 5.087 -7.876 557 HB3 LYS 67 2HB LYS 67 14.689 5.613 -8.826 558 HG2 LYS 67 1HG LYS 67 13.770 6.614 -6.695 559 HG3 LYS 67 2HG LYS 67 15.356 6.311 -5.983 560 HD2 LYS 67 1HD LYS 67 15.577 8.488 -6.726 561 HD3 LYS 67 2HD LYS 67 16.238 7.575 -8.085 562 HE2 LYS 67 1HE LYS 67 13.328 8.229 -8.046 563 HE3 LYS 67 2HE LYS 67 14.484 9.490 -8.471 564 HZ1 LYS 67 3HZ LYS 67 15.376 7.598 -10.037 565 HZ2 LYS 67 1HZ LYS 67 14.098 8.600 -10.510 566 HZ3 LYS 67 2HZ LYS 67 13.781 7.048 -9.918 567 HA PRO 68 HA PRO 68 15.391 2.090 -3.892 568 HB2 PRO 68 1HB PRO 68 18.090 1.805 -3.955 569 HB3 PRO 68 2HB PRO 68 16.985 0.666 -4.734 570 HG2 PRO 68 1HG PRO 68 18.547 2.916 -5.941 571 HG3 PRO 68 2HG PRO 68 18.293 1.273 -6.558 572 HD2 PRO 68 1HD PRO 68 16.894 3.404 -7.471 573 HD3 PRO 68 2HD PRO 68 16.201 1.772 -7.386 574 H ASN 69 H ASN 69 16.588 5.003 -5.197 575 HA ASN 69 HA ASN 69 18.217 6.005 -3.186 576 HB2 ASN 69 1HB ASN 69 18.153 7.908 -4.391 577 HB3 ASN 69 2HB ASN 69 17.176 6.989 -5.532 578 HD21 ASN 69 2HD2 ASN 69 17.337 9.809 -3.958 579 HD22 ASN 69 1HD2 ASN 69 15.658 10.204 -3.852 580 H THR 70 H THR 70 14.803 5.484 -3.214 581 HA THR 70 HA THR 70 13.837 7.280 -1.371 582 HB THR 70 HB THR 70 12.435 5.113 -0.612 583 HG1 THR 70 HG1 THR 70 13.110 4.438 -3.272 584 HG21 THR 70 3HG2 THR 70 12.201 6.681 -3.176 585 HG22 THR 70 1HG2 THR 70 11.393 6.994 -1.640 586 HG23 THR 70 2HG2 THR 70 10.952 5.579 -2.597 587 H LYS 71 H LYS 71 15.456 4.187 -0.730 588 HA LYS 71 HA LYS 71 16.477 3.354 1.124 589 HB2 LYS 71 1HB LYS 71 16.768 6.287 1.400 590 HB3 LYS 71 2HB LYS 71 17.024 5.348 2.864 591 HG2 LYS 71 1HG LYS 71 18.830 4.178 1.931 592 HG3 LYS 71 2HG LYS 71 18.418 4.686 0.292 593 HD2 LYS 71 1HD LYS 71 20.242 6.032 0.859 594 HD3 LYS 71 2HD LYS 71 18.844 7.073 1.140 595 HE2 LYS 71 1HE LYS 71 18.929 6.497 3.532 596 HE3 LYS 71 2HE LYS 71 20.359 5.511 3.231 597 HZ1 LYS 71 3HZ LYS 71 21.598 7.420 2.634 598 HZ2 LYS 71 1HZ LYS 71 20.807 7.798 4.081 599 HZ3 LYS 71 2HZ LYS 71 20.225 8.408 2.615 600 H ILE 72 H ILE 72 15.060 2.110 2.194 601 HA ILE 72 HA ILE 72 13.049 3.395 3.902 602 HB ILE 72 HB ILE 72 12.200 1.730 2.317 603 HG12 ILE 72 1HG1 ILE 72 11.450 2.021 4.868 604 HG13 ILE 72 2HG1 ILE 72 10.680 0.864 3.789 605 HG21 ILE 72 1HG2 ILE 72 14.034 0.269 2.018 606 HG22 ILE 72 2HG2 ILE 72 14.114 -0.101 3.740 607 HG23 ILE 72 3HG2 ILE 72 12.763 -0.692 2.773 608 HD11 ILE 72 3HD1 ILE 72 11.726 -0.943 4.774 609 HD12 ILE 72 1HD1 ILE 72 13.015 0.046 5.459 610 HD13 ILE 72 2HD1 ILE 72 11.392 0.113 6.146 611 H MET 73 H MET 73 12.836 2.878 6.080 612 HA MET 73 HA MET 73 15.105 1.418 7.265 613 HB2 MET 73 1HB MET 73 13.845 4.020 8.053 614 HB3 MET 73 2HB MET 73 14.610 3.014 9.275 615 HG2 MET 73 1HG MET 73 16.446 4.170 8.747 616 HG3 MET 73 2HG MET 73 16.538 3.057 7.384 617 HE1 MET 73 3HE MET 73 18.184 4.962 6.852 618 HE2 MET 73 1HE MET 73 17.737 6.238 5.719 619 HE3 MET 73 2HE MET 73 17.662 6.535 7.456 620 H MET 74 H MET 74 14.661 -0.048 8.842 621 HA MET 74 HA MET 74 11.815 -0.487 9.446 622 HB2 MET 74 1HB MET 74 14.077 -2.291 8.880 623 HB3 MET 74 2HB MET 74 13.032 -2.801 10.199 624 HG2 MET 74 1HG MET 74 11.105 -2.736 8.743 625 HG3 MET 74 2HG MET 74 12.096 -2.120 7.422 626 HE1 MET 74 3HE MET 74 12.175 -3.455 5.650 627 HE2 MET 74 1HE MET 74 12.440 -5.196 5.539 628 HE3 MET 74 2HE MET 74 10.868 -4.574 6.039 629 H MET 75 H MET 75 11.175 -0.985 11.567 630 HA MET 75 HA MET 75 13.177 -0.606 13.674 631 HB2 MET 75 1HB MET 75 12.155 1.579 13.351 632 HB3 MET 75 2HB MET 75 10.549 0.876 13.489 633 HG2 MET 75 1HG MET 75 11.026 1.921 15.551 634 HG3 MET 75 2HG MET 75 11.148 0.184 15.816 635 HE1 MET 75 3HE MET 75 12.968 3.335 14.857 636 HE2 MET 75 1HE MET 75 13.093 3.537 16.605 637 HE3 MET 75 2HE MET 75 14.543 3.237 15.646 638 H GLY 76 H GLY 76 12.801 -1.743 15.548 639 HA2 GLY 76 1HA GLY 76 11.994 -3.482 16.813 640 HA3 GLY 76 2HA GLY 76 10.410 -2.815 16.445 641 H THR 77 H THR 77 12.754 -4.241 14.210 642 HA THR 77 HA THR 77 10.711 -6.233 13.489 643 HB THR 77 HB THR 77 12.173 -6.473 11.380 644 HG1 THR 77 HG1 THR 77 13.800 -5.136 11.195 645 HG21 THR 77 3HG2 THR 77 11.049 -3.749 11.343 646 HG22 THR 77 1HG2 THR 77 9.954 -5.013 11.901 647 HG23 THR 77 2HG2 THR 77 10.701 -5.134 10.308 648 H ARG 78 H ARG 78 11.917 -7.024 15.679 649 HA ARG 78 HA ARG 78 13.832 -9.059 14.760 650 HB2 ARG 78 1HB ARG 78 14.785 -7.078 16.162 651 HB3 ARG 78 2HB ARG 78 14.016 -7.892 17.517 652 HG2 ARG 78 1HG ARG 78 15.305 -9.940 16.933 653 HG3 ARG 78 2HG ARG 78 16.163 -8.989 15.719 654 HD2 ARG 78 1HD ARG 78 16.609 -7.379 17.732 655 HD3 ARG 78 2HD ARG 78 16.272 -8.815 18.697 656 HE ARG 78 HE ARG 78 18.312 -9.639 18.092 657 HH11 ARG 78 1HH1 ARG 78 17.406 -7.135 15.849 658 HH12 ARG 78 2HH1 ARG 78 18.929 -7.145 15.022 659 HH21 ARG 78 1HH2 ARG 78 20.320 -9.661 17.011 660 HH22 ARG 78 2HH2 ARG 78 20.585 -8.583 15.683 661 H GLU 79 H GLU 79 13.354 -11.091 15.339 662 HA GLU 79 HA GLU 79 11.198 -11.475 17.311 663 HB2 GLU 79 1HB GLU 79 10.598 -12.076 14.972 664 HB3 GLU 79 2HB GLU 79 11.897 -13.260 14.974 665 HG2 GLU 79 1HG GLU 79 9.636 -14.205 15.379 666 HG3 GLU 79 2HG GLU 79 10.815 -14.567 16.639 667 H GLU 80 H GLU 80 14.410 -12.293 16.371 668 HA GLU 80 HA GLU 80 16.042 -13.552 17.333 669 HB2 GLU 80 1HB GLU 80 14.965 -12.201 19.349 670 HB3 GLU 80 2HB GLU 80 14.487 -13.812 19.864 671 HG2 GLU 80 1HG GLU 80 16.987 -14.392 19.475 672 HG3 GLU 80 2HG GLU 80 17.219 -12.648 19.585 673 H SER 81 H SER 81 13.752 -14.850 16.005 674 HA SER 81 HA SER 81 14.063 -17.516 17.211 675 HB2 SER 81 1HB SER 81 11.779 -16.506 17.628 676 HB3 SER 81 2HB SER 81 11.520 -16.562 15.885 677 HG SER 81 HG SER 81 11.219 -18.645 16.001 Start of MODEL 2 1 H1 MET 1 H MET 1 1.592 0.476 0.523 2 HA MET 1 HA MET 1 1.489 -1.427 -1.700 3 HB2 MET 1 1HB MET 1 2.437 1.403 -2.116 4 HB3 MET 1 2HB MET 1 2.129 0.173 -3.335 5 HG2 MET 1 1HG MET 1 -0.302 0.268 -2.545 6 HG3 MET 1 2HG MET 1 0.158 1.767 -1.741 7 HE1 MET 1 3HE MET 1 -0.458 3.584 -2.447 8 HE2 MET 1 1HE MET 1 -0.096 4.362 -3.989 9 HE3 MET 1 2HE MET 1 -1.631 3.524 -3.764 10 H ALA 2 H ALA 2 3.579 -1.946 -2.590 11 HA ALA 2 HA ALA 2 5.729 -1.570 -0.620 12 HB1 ALA 2 1HB ALA 2 5.593 -3.828 -0.765 13 HB2 ALA 2 2HB ALA 2 4.954 -3.796 -2.409 14 HB3 ALA 2 3HB ALA 2 6.678 -3.555 -2.128 15 H LEU 3 H LEU 3 7.442 -0.375 -1.129 16 HA LEU 3 HA LEU 3 7.822 0.386 -3.944 17 HB2 LEU 3 1HB LEU 3 9.000 1.797 -1.571 18 HB3 LEU 3 2HB LEU 3 8.798 2.401 -3.214 19 HG LEU 3 HG LEU 3 6.245 2.135 -2.669 20 HD11 LEU 3 1HD1 LEU 3 7.338 1.337 -0.239 21 HD12 LEU 3 2HD1 LEU 3 5.655 1.751 -0.563 22 HD13 LEU 3 3HD1 LEU 3 6.765 2.981 0.040 23 HD21 LEU 3 3HD2 LEU 3 6.174 4.401 -2.393 24 HD22 LEU 3 1HD2 LEU 3 7.829 4.224 -2.976 25 HD23 LEU 3 2HD2 LEU 3 7.518 4.419 -1.251 26 HA PRO 4 HA PRO 4 11.624 -1.830 -4.073 27 HB2 PRO 4 1HB PRO 4 12.846 -0.471 -6.080 28 HB3 PRO 4 2HB PRO 4 11.510 -1.595 -6.356 29 HG2 PRO 4 1HG PRO 4 11.466 1.393 -6.177 30 HG3 PRO 4 2HG PRO 4 10.628 0.328 -7.321 31 HD2 PRO 4 1HD PRO 4 9.391 1.425 -5.176 32 HD3 PRO 4 2HD PRO 4 8.949 -0.169 -5.822 33 H MET 5 H MET 5 12.092 -0.832 -1.880 34 HA MET 5 HA MET 5 14.358 1.037 -2.118 35 HB2 MET 5 1HB MET 5 12.905 0.882 0.462 36 HB3 MET 5 2HB MET 5 13.657 2.263 -0.326 37 HG2 MET 5 1HG MET 5 11.780 2.383 -1.891 38 HG3 MET 5 2HG MET 5 11.024 1.016 -1.077 39 HE1 MET 5 3HE MET 5 9.974 2.082 2.220 40 HE2 MET 5 1HE MET 5 8.836 1.986 0.875 41 HE3 MET 5 2HE MET 5 10.186 0.855 0.969 42 H ILE 6 H ILE 6 15.869 0.878 -0.195 43 HA ILE 6 HA ILE 6 16.292 -1.966 0.429 44 HB ILE 6 HB ILE 6 18.312 0.279 0.417 45 HG12 ILE 6 1HG1 ILE 6 18.005 -2.031 -1.511 46 HG13 ILE 6 2HG1 ILE 6 17.452 -0.392 -1.835 47 HG21 ILE 6 1HG2 ILE 6 19.976 -1.463 0.720 48 HG22 ILE 6 2HG2 ILE 6 18.811 -1.491 2.042 49 HG23 ILE 6 3HG2 ILE 6 18.711 -2.691 0.754 50 HD11 ILE 6 3HD1 ILE 6 19.785 0.390 -1.585 51 HD12 ILE 6 1HD1 ILE 6 20.290 -1.290 -1.408 52 HD13 ILE 6 2HD1 ILE 6 19.556 -0.744 -2.916 53 H VAL 7 H VAL 7 16.565 -2.644 2.504 54 HA VAL 7 HA VAL 7 15.988 -0.668 4.597 55 HB VAL 7 HB VAL 7 14.412 -2.456 4.625 56 HG11 VAL 7 1HG1 VAL 7 15.336 -4.837 5.059 57 HG12 VAL 7 2HG1 VAL 7 15.342 -4.199 3.413 58 HG13 VAL 7 3HG1 VAL 7 16.828 -4.202 4.364 59 HG21 VAL 7 3HG2 VAL 7 14.712 -3.363 6.849 60 HG22 VAL 7 1HG2 VAL 7 16.436 -2.993 6.796 61 HG23 VAL 7 2HG2 VAL 7 15.254 -1.685 6.815 62 H LYS 8 H LYS 8 17.396 -0.227 6.193 63 HA LYS 8 HA LYS 8 19.741 -1.952 6.541 64 HB2 LYS 8 1HB LYS 8 19.975 1.052 6.418 65 HB3 LYS 8 2HB LYS 8 21.277 -0.129 6.473 66 HG2 LYS 8 1HG LYS 8 20.366 -0.959 4.230 67 HG3 LYS 8 2HG LYS 8 19.464 0.557 4.189 68 HD2 LYS 8 1HD LYS 8 22.430 0.490 4.661 69 HD3 LYS 8 2HD LYS 8 21.748 0.502 3.033 70 HE2 LYS 8 1HE LYS 8 20.689 2.604 3.413 71 HE3 LYS 8 2HE LYS 8 21.071 2.552 5.133 72 HZ1 LYS 8 3HZ LYS 8 22.731 3.897 4.409 73 HZ2 LYS 8 1HZ LYS 8 22.794 3.208 2.866 74 HZ3 LYS 8 2HZ LYS 8 23.504 2.411 4.177 75 H TRP 9 H TRP 9 18.191 -2.472 8.370 76 HA TRP 9 HA TRP 9 18.103 -0.501 10.500 77 HB2 TRP 9 1HB TRP 9 16.170 -2.014 10.000 78 HB3 TRP 9 2HB TRP 9 17.152 -3.371 10.544 79 HD1 TRP 9 HD1 TRP 9 16.310 -4.071 12.851 80 HE1 TRP 9 HE1 TRP 9 15.625 -2.858 15.015 81 HE3 TRP 9 HE3 TRP 9 16.757 0.763 11.249 82 HZ2 TRP 9 HZ2 TRP 9 15.315 -0.204 15.923 83 HZ3 TRP 9 HZ3 TRP 9 16.247 2.581 12.828 84 HH2 TRP 9 HH2 TRP 9 15.540 2.105 15.116 85 H GLY 10 H GLY 10 20.674 -0.845 10.107 86 HA2 GLY 10 1HA GLY 10 22.643 -1.379 11.158 87 HA3 GLY 10 2HA GLY 10 21.667 -1.777 12.564 88 H GLY 11 H GLY 11 21.229 -3.894 13.042 89 HA2 GLY 11 1HA GLY 11 23.004 -5.861 12.176 90 HA3 GLY 11 2HA GLY 11 21.494 -6.173 13.018 91 H GLN 12 H GLN 12 19.636 -5.308 11.183 92 HA GLN 12 HA GLN 12 19.970 -7.324 9.082 93 HB2 GLN 12 1HB GLN 12 17.485 -5.946 10.114 94 HB3 GLN 12 2HB GLN 12 17.508 -7.146 8.828 95 HG2 GLN 12 1HG GLN 12 17.837 -8.877 10.254 96 HG3 GLN 12 2HG GLN 12 18.747 -7.902 11.406 97 HE21 GLN 12 2HE2 GLN 12 16.261 -9.735 11.437 98 HE22 GLN 12 1HE2 GLN 12 15.134 -8.843 12.396 99 H GLU 13 H GLU 13 20.653 -6.593 7.186 100 HA GLU 13 HA GLU 13 19.583 -4.032 6.207 101 HB2 GLU 13 1HB GLU 13 21.969 -3.844 6.948 102 HB3 GLU 13 2HB GLU 13 22.393 -5.032 5.723 103 HG2 GLU 13 1HG GLU 13 21.241 -3.389 4.087 104 HG3 GLU 13 2HG GLU 13 21.468 -2.215 5.382 105 H TYR 14 H TYR 14 18.007 -5.513 5.210 106 HA TYR 14 HA TYR 14 19.019 -7.131 3.005 107 HB2 TYR 14 1HB TYR 14 16.929 -7.503 4.733 108 HB3 TYR 14 2HB TYR 14 16.106 -6.873 3.311 109 HD1 TYR 14 HD1 TYR 14 18.980 -9.218 3.809 110 HD2 TYR 14 HD2 TYR 14 15.138 -8.574 2.099 111 HE1 TYR 14 HE1 TYR 14 19.074 -11.448 2.775 112 HE2 TYR 14 HE2 TYR 14 15.220 -10.803 1.061 113 HH TYR 14 HH TYR 14 18.023 -12.940 1.518 114 H SER 15 H SER 15 17.033 -6.959 1.157 115 HA SER 15 HA SER 15 16.995 -4.129 0.350 116 HB2 SER 15 1HB SER 15 17.187 -5.244 -2.059 117 HB3 SER 15 2HB SER 15 18.620 -4.835 -1.117 118 HG SER 15 HG SER 15 19.049 -6.878 -1.467 119 H VAL 16 H VAL 16 14.921 -3.562 0.411 120 HA VAL 16 HA VAL 16 12.842 -5.484 -0.273 121 HB VAL 16 HB VAL 16 12.425 -2.618 0.559 122 HG11 VAL 16 1HG1 VAL 16 10.714 -4.854 -0.066 123 HG12 VAL 16 2HG1 VAL 16 10.432 -4.279 1.579 124 HG13 VAL 16 3HG1 VAL 16 10.296 -3.164 0.219 125 HG21 VAL 16 3HG2 VAL 16 12.200 -3.454 2.867 126 HG22 VAL 16 1HG2 VAL 16 12.747 -5.041 2.328 127 HG23 VAL 16 2HG2 VAL 16 13.835 -3.656 2.238 128 H THR 17 H THR 17 14.347 -4.924 -2.475 129 HA THR 17 HA THR 17 13.326 -2.764 -4.026 130 HB THR 17 HB THR 17 15.540 -3.780 -4.459 131 HG1 THR 17 HG1 THR 17 15.357 -3.313 -6.547 132 HG21 THR 17 3HG2 THR 17 15.865 -5.935 -5.121 133 HG22 THR 17 1HG2 THR 17 14.309 -6.034 -5.943 134 HG23 THR 17 2HG2 THR 17 14.389 -6.175 -4.187 135 H THR 18 H THR 18 12.411 -3.327 -6.305 136 HA THR 18 HA THR 18 9.997 -4.915 -5.843 137 HB THR 18 HB THR 18 9.774 -2.570 -6.664 138 HG1 THR 18 HG1 THR 18 8.113 -4.050 -7.115 139 HG21 THR 18 3HG2 THR 18 10.587 -1.843 -8.682 140 HG22 THR 18 1HG2 THR 18 10.602 -3.461 -9.383 141 HG23 THR 18 2HG2 THR 18 11.857 -2.984 -8.240 142 H LEU 19 H LEU 19 13.000 -5.324 -7.189 143 HA LEU 19 HA LEU 19 13.914 -6.986 -8.449 144 HB2 LEU 19 1HB LEU 19 11.211 -8.227 -8.792 145 HB3 LEU 19 2HB LEU 19 12.789 -9.008 -8.724 146 HG LEU 19 HG LEU 19 11.495 -7.690 -6.345 147 HD11 LEU 19 1HD1 LEU 19 10.509 -9.916 -7.611 148 HD12 LEU 19 2HD1 LEU 19 10.272 -9.505 -5.913 149 HD13 LEU 19 3HD1 LEU 19 11.571 -10.602 -6.381 150 HD21 LEU 19 3HD2 LEU 19 13.654 -7.912 -5.697 151 HD22 LEU 19 1HD2 LEU 19 13.987 -9.198 -6.857 152 HD23 LEU 19 2HD2 LEU 19 13.130 -9.563 -5.360 153 H SER 20 H SER 20 13.332 -8.253 -10.685 154 HA SER 20 HA SER 20 13.127 -6.156 -12.613 155 HB2 SER 20 1HB SER 20 13.002 -9.071 -13.329 156 HB3 SER 20 2HB SER 20 13.770 -7.745 -14.201 157 HG SER 20 HG SER 20 15.303 -7.651 -12.463 158 H GLU 21 H GLU 21 11.639 -6.197 -14.460 159 HA GLU 21 HA GLU 21 8.975 -6.081 -13.702 160 HB2 GLU 21 1HB GLU 21 8.475 -6.083 -16.152 161 HB3 GLU 21 2HB GLU 21 9.711 -4.929 -15.671 162 HG2 GLU 21 1HG GLU 21 11.423 -6.624 -16.370 163 HG3 GLU 21 2HG GLU 21 10.101 -7.566 -17.055 164 H ASP 22 H ASP 22 10.733 -8.711 -15.295 165 HA ASP 22 HA ASP 22 8.589 -10.419 -15.788 166 HB2 ASP 22 1HB ASP 22 10.849 -10.790 -16.684 167 HB3 ASP 22 2HB ASP 22 11.432 -11.160 -15.063 168 H ASP 23 H ASP 23 10.105 -9.558 -12.822 169 HA ASP 23 HA ASP 23 8.889 -11.817 -11.409 170 HB2 ASP 23 1HB ASP 23 10.835 -9.695 -10.483 171 HB3 ASP 23 2HB ASP 23 10.181 -10.961 -9.448 172 H THR 24 H THR 24 8.198 -10.988 -9.037 173 HA THR 24 HA THR 24 6.597 -8.556 -9.238 174 HB THR 24 HB THR 24 4.904 -10.483 -8.019 175 HG1 THR 24 HG1 THR 24 4.615 -11.816 -9.968 176 HG21 THR 24 3HG2 THR 24 4.413 -8.333 -9.335 177 HG22 THR 24 1HG2 THR 24 3.316 -9.695 -9.555 178 HG23 THR 24 2HG2 THR 24 4.539 -9.343 -10.775 179 H VAL 25 H VAL 25 5.393 -8.207 -7.077 180 HA VAL 25 HA VAL 25 7.334 -8.153 -5.011 181 HB VAL 25 HB VAL 25 4.381 -7.540 -5.000 182 HG11 VAL 25 1HG1 VAL 25 4.739 -8.122 -2.776 183 HG12 VAL 25 2HG1 VAL 25 6.381 -7.475 -2.769 184 HG13 VAL 25 3HG1 VAL 25 4.999 -6.378 -2.786 185 HG21 VAL 25 3HG2 VAL 25 5.382 -5.200 -4.604 186 HG22 VAL 25 1HG2 VAL 25 6.891 -5.912 -5.177 187 HG23 VAL 25 2HG2 VAL 25 5.473 -5.886 -6.226 188 H LEU 26 H LEU 26 4.728 -10.328 -5.809 189 HA LEU 26 HA LEU 26 4.319 -11.606 -3.380 190 HB2 LEU 26 1HB LEU 26 3.567 -13.526 -4.686 191 HB3 LEU 26 2HB LEU 26 2.928 -12.010 -5.318 192 HG LEU 26 HG LEU 26 5.027 -12.237 -6.929 193 HD11 LEU 26 1HD1 LEU 26 4.763 -14.859 -5.668 194 HD12 LEU 26 2HD1 LEU 26 6.104 -14.164 -6.578 195 HD13 LEU 26 3HD1 LEU 26 4.751 -14.906 -7.431 196 HD21 LEU 26 3HD2 LEU 26 2.912 -14.042 -7.811 197 HD22 LEU 26 1HD2 LEU 26 3.458 -12.512 -8.497 198 HD23 LEU 26 2HD2 LEU 26 2.309 -12.517 -7.159 199 H ASP 27 H ASP 27 6.903 -11.983 -5.719 200 HA ASP 27 HA ASP 27 8.010 -14.373 -4.740 201 HB2 ASP 27 1HB ASP 27 8.609 -13.359 -6.918 202 HB3 ASP 27 2HB ASP 27 9.443 -12.062 -6.067 203 H LEU 28 H LEU 28 9.500 -11.163 -4.349 204 HA LEU 28 HA LEU 28 11.194 -11.821 -2.272 205 HB2 LEU 28 1HB LEU 28 11.511 -9.523 -1.924 206 HB3 LEU 28 2HB LEU 28 11.132 -9.696 -3.637 207 HG LEU 28 HG LEU 28 8.677 -9.169 -2.708 208 HD11 LEU 28 1HD1 LEU 28 10.093 -8.854 -0.412 209 HD12 LEU 28 2HD1 LEU 28 8.559 -8.059 -0.764 210 HD13 LEU 28 3HD1 LEU 28 10.078 -7.207 -1.041 211 HD21 LEU 28 3HD2 LEU 28 10.899 -7.486 -3.709 212 HD22 LEU 28 1HD2 LEU 28 9.480 -6.656 -3.071 213 HD23 LEU 28 2HD2 LEU 28 9.308 -7.799 -4.404 214 H LYS 29 H LYS 29 7.816 -10.856 -2.153 215 HA LYS 29 HA LYS 29 7.486 -10.310 0.526 216 HB2 LYS 29 1HB LYS 29 5.693 -10.048 -1.108 217 HB3 LYS 29 2HB LYS 29 5.598 -11.792 -1.313 218 HG2 LYS 29 1HG LYS 29 4.820 -12.063 0.951 219 HG3 LYS 29 2HG LYS 29 5.032 -10.338 1.262 220 HD2 LYS 29 1HD LYS 29 3.201 -11.421 -0.871 221 HD3 LYS 29 2HD LYS 29 2.671 -11.077 0.777 222 HE2 LYS 29 1HE LYS 29 3.892 -9.092 -1.138 223 HE3 LYS 29 2HE LYS 29 2.179 -9.219 -0.741 224 HZ1 LYS 29 3HZ LYS 29 2.823 -8.780 1.610 225 HZ2 LYS 29 1HZ LYS 29 3.098 -7.482 0.561 226 HZ3 LYS 29 2HZ LYS 29 4.392 -8.442 1.075 227 H GLN 30 H GLN 30 7.063 -13.500 -1.018 228 HA GLN 30 HA GLN 30 6.693 -14.942 1.353 229 HB2 GLN 30 1HB GLN 30 7.692 -15.767 -1.368 230 HB3 GLN 30 2HB GLN 30 7.456 -16.920 -0.062 231 HG2 GLN 30 1HG GLN 30 5.082 -16.193 0.065 232 HG3 GLN 30 2HG GLN 30 5.362 -15.199 -1.364 233 HE21 GLN 30 2HE2 GLN 30 4.162 -18.054 -0.353 234 HE22 GLN 30 1HE2 GLN 30 4.345 -18.987 -1.795 235 H PHE 31 H PHE 31 9.592 -13.892 -0.291 236 HA PHE 31 HA PHE 31 11.411 -15.565 1.107 237 HB2 PHE 31 1HB PHE 31 11.614 -13.176 -0.650 238 HB3 PHE 31 2HB PHE 31 12.988 -13.520 0.395 239 HD1 PHE 31 HD2 PHE 31 10.670 -15.716 -1.532 240 HD2 PHE 31 HD1 PHE 31 14.676 -14.450 -0.850 241 HE1 PHE 31 HE2 PHE 31 11.471 -17.393 -3.144 242 HE2 PHE 31 HE1 PHE 31 15.483 -16.124 -2.462 243 HZ PHE 31 HZ PHE 31 13.880 -17.599 -3.611 244 H LEU 32 H LEU 32 10.042 -12.394 1.728 245 HA LEU 32 HA LEU 32 11.779 -11.723 3.880 246 HB2 LEU 32 1HB LEU 32 9.056 -10.707 3.092 247 HB3 LEU 32 2HB LEU 32 10.005 -10.032 4.414 248 HG LEU 32 HG LEU 32 10.673 -9.983 1.475 249 HD11 LEU 32 1HD1 LEU 32 8.990 -8.355 2.566 250 HD12 LEU 32 2HD1 LEU 32 10.275 -7.703 1.551 251 HD13 LEU 32 3HD1 LEU 32 10.418 -7.632 3.307 252 HD21 LEU 32 3HD2 LEU 32 12.633 -8.589 2.279 253 HD22 LEU 32 1HD2 LEU 32 12.744 -10.329 2.543 254 HD23 LEU 32 2HD2 LEU 32 12.325 -9.260 3.882 255 H LYS 33 H LYS 33 8.738 -13.440 3.619 256 HA LYS 33 HA LYS 33 8.151 -13.463 6.407 257 HB2 LYS 33 1HB LYS 33 7.200 -15.401 4.293 258 HB3 LYS 33 2HB LYS 33 6.451 -15.096 5.855 259 HG2 LYS 33 1HG LYS 33 5.590 -13.063 5.196 260 HG3 LYS 33 2HG LYS 33 6.780 -12.857 3.909 261 HD2 LYS 33 1HD LYS 33 5.020 -13.444 2.607 262 HD3 LYS 33 2HD LYS 33 5.557 -15.073 3.026 263 HE2 LYS 33 1HE LYS 33 3.282 -15.156 3.463 264 HE3 LYS 33 2HE LYS 33 3.969 -14.818 5.051 265 HZ1 LYS 33 3HZ LYS 33 1.969 -13.431 4.050 266 HZ2 LYS 33 1HZ LYS 33 3.242 -12.522 3.406 267 HZ3 LYS 33 2HZ LYS 33 3.118 -12.737 5.079 268 H THR 34 H THR 34 9.962 -15.549 4.249 269 HA THR 34 HA THR 34 10.338 -17.573 6.297 270 HB THR 34 HB THR 34 11.632 -18.789 4.625 271 HG1 THR 34 HG1 THR 34 11.330 -16.388 3.131 272 HG21 THR 34 3HG2 THR 34 8.905 -17.849 4.171 273 HG22 THR 34 1HG2 THR 34 9.566 -19.481 4.091 274 HG23 THR 34 2HG2 THR 34 9.703 -18.406 2.701 275 H LEU 35 H LEU 35 12.016 -14.844 4.962 276 HA LEU 35 HA LEU 35 14.576 -15.587 6.079 277 HB2 LEU 35 1HB LEU 35 14.531 -14.349 4.011 278 HB3 LEU 35 2HB LEU 35 13.600 -13.057 4.766 279 HG LEU 35 HG LEU 35 15.803 -13.042 6.329 280 HD11 LEU 35 1HD1 LEU 35 16.523 -14.446 3.872 281 HD12 LEU 35 2HD1 LEU 35 17.374 -14.339 5.412 282 HD13 LEU 35 3HD1 LEU 35 17.541 -13.049 4.222 283 HD21 LEU 35 3HD2 LEU 35 15.064 -11.579 3.833 284 HD22 LEU 35 1HD2 LEU 35 16.605 -11.241 4.622 285 HD23 LEU 35 2HD2 LEU 35 15.094 -11.012 5.504 286 H THR 36 H THR 36 12.082 -13.143 6.724 287 HA THR 36 HA THR 36 13.314 -12.697 9.365 288 HB THR 36 HB THR 36 12.747 -10.482 9.321 289 HG1 THR 36 HG1 THR 36 10.648 -11.144 7.507 290 HG21 THR 36 3HG2 THR 36 12.744 -10.977 6.346 291 HG22 THR 36 1HG2 THR 36 14.200 -11.021 7.339 292 HG23 THR 36 2HG2 THR 36 13.275 -9.526 7.197 293 H GLY 37 H GLY 37 10.249 -13.102 7.639 294 HA2 GLY 37 1HA GLY 37 8.146 -13.664 8.383 295 HA3 GLY 37 2HA GLY 37 9.012 -14.708 9.500 296 H VAL 38 H VAL 38 9.391 -11.244 9.583 297 HA VAL 38 HA VAL 38 7.874 -11.193 12.112 298 HB VAL 38 HB VAL 38 10.332 -10.865 12.372 299 HG11 VAL 38 1HG1 VAL 38 10.335 -9.506 10.116 300 HG12 VAL 38 2HG1 VAL 38 10.078 -8.139 11.203 301 HG13 VAL 38 3HG1 VAL 38 11.504 -9.161 11.391 302 HG21 VAL 38 3HG2 VAL 38 9.315 -8.231 13.141 303 HG22 VAL 38 1HG2 VAL 38 8.271 -9.573 13.611 304 HG23 VAL 38 2HG2 VAL 38 9.953 -9.537 14.139 305 H LEU 39 H LEU 39 8.320 -9.792 8.998 306 HA LEU 39 HA LEU 39 7.142 -7.270 9.424 307 HB2 LEU 39 1HB LEU 39 6.837 -8.749 6.846 308 HB3 LEU 39 2HB LEU 39 7.116 -7.031 7.120 309 HG LEU 39 HG LEU 39 9.128 -9.265 7.327 310 HD11 LEU 39 1HD1 LEU 39 8.788 -6.924 5.467 311 HD12 LEU 39 2HD1 LEU 39 8.761 -8.640 5.064 312 HD13 LEU 39 3HD1 LEU 39 10.267 -7.879 5.576 313 HD21 LEU 39 3HD2 LEU 39 10.410 -6.788 7.533 314 HD22 LEU 39 1HD2 LEU 39 10.249 -8.021 8.784 315 HD23 LEU 39 2HD2 LEU 39 9.061 -6.722 8.668 316 HA PRO 40 HA PRO 40 3.029 -9.422 8.013 317 HB2 PRO 40 1HB PRO 40 2.966 -12.129 8.202 318 HB3 PRO 40 2HB PRO 40 3.475 -11.281 6.738 319 HG2 PRO 40 1HG PRO 40 5.149 -12.516 8.890 320 HG3 PRO 40 2HG PRO 40 5.363 -12.580 7.131 321 HD2 PRO 40 1HD PRO 40 6.785 -10.904 8.712 322 HD3 PRO 40 2HD PRO 40 6.330 -10.489 7.047 323 H GLU 41 H GLU 41 4.951 -10.110 10.720 324 HA GLU 41 HA GLU 41 2.621 -10.867 12.343 325 HB2 GLU 41 1HB GLU 41 5.587 -11.132 12.826 326 HB3 GLU 41 2HB GLU 41 4.391 -11.395 14.088 327 HG2 GLU 41 1HG GLU 41 4.089 -12.876 11.533 328 HG3 GLU 41 2HG GLU 41 5.351 -13.380 12.656 329 H ARG 42 H ARG 42 5.613 -9.109 13.120 330 HA ARG 42 HA ARG 42 4.013 -6.806 13.967 331 HB2 ARG 42 1HB ARG 42 6.214 -7.881 15.718 332 HB3 ARG 42 2HB ARG 42 4.987 -6.686 16.117 333 HG2 ARG 42 1HG ARG 42 3.273 -8.485 15.922 334 HG3 ARG 42 2HG ARG 42 4.591 -9.642 15.728 335 HD2 ARG 42 1HD ARG 42 3.902 -9.636 18.028 336 HD3 ARG 42 2HD ARG 42 5.497 -8.894 17.914 337 HE ARG 42 HE ARG 42 3.610 -6.853 17.772 338 HH11 ARG 42 1HH1 ARG 42 4.713 -9.241 20.052 339 HH12 ARG 42 2HH1 ARG 42 4.326 -8.282 21.442 340 HH21 ARG 42 1HH2 ARG 42 3.096 -5.581 19.594 341 HH22 ARG 42 2HH2 ARG 42 3.405 -6.201 21.180 342 H GLN 43 H GLN 43 4.864 -4.944 13.298 343 HA GLN 43 HA GLN 43 7.730 -4.615 13.042 344 HB2 GLN 43 1HB GLN 43 7.341 -3.702 10.648 345 HB3 GLN 43 2HB GLN 43 7.478 -5.439 10.883 346 HG2 GLN 43 1HG GLN 43 5.027 -5.615 10.866 347 HG3 GLN 43 2HG GLN 43 4.923 -3.881 10.566 348 HE21 GLN 43 2HE2 GLN 43 3.665 -4.939 8.724 349 HE22 GLN 43 1HE2 GLN 43 4.554 -5.229 7.271 350 H LYS 44 H LYS 44 8.285 -2.350 12.377 351 HA LYS 44 HA LYS 44 6.170 -0.412 12.959 352 HB2 LYS 44 1HB LYS 44 8.771 -0.686 14.455 353 HB3 LYS 44 2HB LYS 44 7.871 0.825 14.420 354 HG2 LYS 44 1HG LYS 44 5.929 -0.342 15.388 355 HG3 LYS 44 2HG LYS 44 6.894 -1.817 15.486 356 HD2 LYS 44 1HD LYS 44 8.549 -0.149 16.756 357 HD3 LYS 44 2HD LYS 44 7.021 0.657 17.115 358 HE2 LYS 44 1HE LYS 44 6.174 -1.622 17.861 359 HE3 LYS 44 2HE LYS 44 7.854 -2.152 17.794 360 HZ1 LYS 44 3HZ LYS 44 6.853 0.112 19.434 361 HZ2 LYS 44 1HZ LYS 44 8.437 -0.482 19.409 362 HZ3 LYS 44 2HZ LYS 44 7.184 -1.439 20.022 363 H LEU 45 H LEU 45 7.193 -0.963 10.465 364 HA LEU 45 HA LEU 45 9.399 0.522 9.639 365 HB2 LEU 45 1HB LEU 45 6.903 -0.390 8.261 366 HB3 LEU 45 2HB LEU 45 8.074 0.619 7.415 367 HG LEU 45 HG LEU 45 9.732 -1.289 8.255 368 HD11 LEU 45 1HD1 LEU 45 7.058 -2.379 8.656 369 HD12 LEU 45 2HD1 LEU 45 8.619 -2.949 9.247 370 HD13 LEU 45 3HD1 LEU 45 8.079 -3.381 7.624 371 HD21 LEU 45 3HD2 LEU 45 9.524 -2.299 6.068 372 HD22 LEU 45 1HD2 LEU 45 9.341 -0.550 5.935 373 HD23 LEU 45 2HD2 LEU 45 7.920 -1.592 5.862 374 H LEU 46 H LEU 46 9.516 2.545 8.503 375 HA LEU 46 HA LEU 46 7.579 4.500 9.534 376 HB2 LEU 46 1HB LEU 46 9.470 6.119 8.802 377 HB3 LEU 46 2HB LEU 46 9.632 5.194 10.294 378 HG LEU 46 HG LEU 46 11.111 3.613 9.154 379 HD11 LEU 46 1HD1 LEU 46 11.960 4.681 6.852 380 HD12 LEU 46 2HD1 LEU 46 10.268 5.173 6.793 381 HD13 LEU 46 3HD1 LEU 46 10.684 3.466 6.940 382 HD21 LEU 46 3HD2 LEU 46 12.621 5.879 8.355 383 HD22 LEU 46 1HD2 LEU 46 12.750 4.938 9.841 384 HD23 LEU 46 2HD2 LEU 46 11.667 6.328 9.769 385 H GLY 47 H GLY 47 7.210 2.823 7.129 386 HA2 GLY 47 1HA GLY 47 6.058 4.722 5.432 387 HA3 GLY 47 2HA GLY 47 7.645 4.334 4.784 388 H LEU 48 H LEU 48 8.089 1.945 4.533 389 HA LEU 48 HA LEU 48 6.107 0.812 2.872 390 HB2 LEU 48 1HB LEU 48 8.303 0.230 2.356 391 HB3 LEU 48 2HB LEU 48 8.685 -0.181 4.027 392 HG LEU 48 HG LEU 48 7.186 -2.178 3.781 393 HD11 LEU 48 1HD1 LEU 48 6.156 -2.723 1.847 394 HD12 LEU 48 2HD1 LEU 48 7.419 -2.011 0.843 395 HD13 LEU 48 3HD1 LEU 48 6.204 -0.978 1.597 396 HD21 LEU 48 3HD2 LEU 48 9.578 -2.432 3.658 397 HD22 LEU 48 1HD2 LEU 48 9.581 -1.941 1.964 398 HD23 LEU 48 2HD2 LEU 48 8.825 -3.462 2.439 399 H LYS 49 H LYS 49 4.865 -1.078 3.147 400 HA LYS 49 HA LYS 49 3.432 -2.457 4.250 401 HB2 LYS 49 1HB LYS 49 5.845 -2.505 6.029 402 HB3 LYS 49 2HB LYS 49 4.377 -3.339 6.521 403 HG2 LYS 49 1HG LYS 49 5.756 -3.822 3.893 404 HG3 LYS 49 2HG LYS 49 6.077 -4.756 5.356 405 HD2 LYS 49 1HD LYS 49 3.551 -5.176 5.415 406 HD3 LYS 49 2HD LYS 49 3.543 -4.592 3.749 407 HE2 LYS 49 1HE LYS 49 3.844 -6.805 3.333 408 HE3 LYS 49 2HE LYS 49 5.533 -6.347 3.546 409 HZ1 LYS 49 3HZ LYS 49 5.266 -6.996 5.927 410 HZ2 LYS 49 1HZ LYS 49 5.154 -8.280 4.832 411 HZ3 LYS 49 2HZ LYS 49 3.753 -7.642 5.533 412 H VAL 50 H VAL 50 2.198 -0.351 4.421 413 HA VAL 50 HA VAL 50 2.076 0.883 7.023 414 HB VAL 50 HB VAL 50 0.158 2.153 6.068 415 HG11 VAL 50 1HG1 VAL 50 2.677 2.697 5.791 416 HG12 VAL 50 2HG1 VAL 50 2.410 2.266 4.101 417 HG13 VAL 50 3HG1 VAL 50 1.494 3.585 4.832 418 HG21 VAL 50 3HG2 VAL 50 0.796 0.660 3.526 419 HG22 VAL 50 1HG2 VAL 50 -0.618 0.367 4.539 420 HG23 VAL 50 2HG2 VAL 50 -0.416 1.924 3.735 421 H LYS 51 H LYS 51 0.277 0.869 8.427 422 HA LYS 51 HA LYS 51 -1.016 -1.689 8.622 423 HB2 LYS 51 1HB LYS 51 -0.181 -0.328 10.578 424 HB3 LYS 51 2HB LYS 51 -1.531 0.765 10.303 425 HG2 LYS 51 1HG LYS 51 -3.062 -1.193 10.598 426 HG3 LYS 51 2HG LYS 51 -1.653 -2.133 11.097 427 HD2 LYS 51 1HD LYS 51 -2.298 0.476 12.423 428 HD3 LYS 51 2HD LYS 51 -3.121 -1.008 12.909 429 HE2 LYS 51 1HE LYS 51 -0.132 -0.885 12.736 430 HE3 LYS 51 2HE LYS 51 -0.980 -0.298 14.166 431 HZ1 LYS 51 3HZ LYS 51 -2.004 -2.486 14.394 432 HZ2 LYS 51 1HZ LYS 51 -0.316 -2.591 14.445 433 HZ3 LYS 51 2HZ LYS 51 -1.150 -3.043 13.044 434 H GLY 52 H GLY 52 -3.080 -2.224 8.150 435 HA2 GLY 52 1HA GLY 52 -5.344 -1.894 7.668 436 HA3 GLY 52 2HA GLY 52 -5.062 -0.160 7.645 437 H LYS 53 H LYS 53 -2.656 -1.179 5.804 438 HA LYS 53 HA LYS 53 -4.100 -1.781 3.372 439 HB2 LYS 53 1HB LYS 53 -2.743 0.871 3.818 440 HB3 LYS 53 2HB LYS 53 -2.995 0.215 2.205 441 HG2 LYS 53 1HG LYS 53 -5.474 0.012 2.972 442 HG3 LYS 53 2HG LYS 53 -4.997 1.207 4.181 443 HD2 LYS 53 1HD LYS 53 -4.494 2.815 2.565 444 HD3 LYS 53 2HD LYS 53 -4.376 1.616 1.275 445 HE2 LYS 53 1HE LYS 53 -6.718 1.338 1.188 446 HE3 LYS 53 2HE LYS 53 -6.952 2.178 2.720 447 HZ1 LYS 53 3HZ LYS 53 -7.547 3.544 0.793 448 HZ2 LYS 53 1HZ LYS 53 -5.957 3.445 0.225 449 HZ3 LYS 53 2HZ LYS 53 -6.285 4.232 1.685 450 HA PRO 54 HA PRO 54 0.227 -3.480 3.745 451 HB2 PRO 54 1HB PRO 54 -0.483 -6.064 3.309 452 HB3 PRO 54 2HB PRO 54 -0.483 -5.326 4.915 453 HG2 PRO 54 1HG PRO 54 -2.773 -5.793 3.045 454 HG3 PRO 54 2HG PRO 54 -2.692 -6.043 4.798 455 HD2 PRO 54 1HD PRO 54 -3.853 -3.862 3.691 456 HD3 PRO 54 2HD PRO 54 -3.024 -3.809 5.260 457 H ALA 55 H ALA 55 1.545 -3.971 2.036 458 HA ALA 55 HA ALA 55 0.840 -3.288 -0.539 459 HB1 ALA 55 1HB ALA 55 2.925 -4.180 -1.249 460 HB2 ALA 55 2HB ALA 55 3.162 -3.543 0.379 461 HB3 ALA 55 3HB ALA 55 2.995 -5.281 0.127 462 H GLU 56 H GLU 56 0.618 -4.567 -2.480 463 HA GLU 56 HA GLU 56 -0.725 -7.140 -1.971 464 HB2 GLU 56 1HB GLU 56 -2.079 -5.162 -2.894 465 HB3 GLU 56 2HB GLU 56 -1.188 -5.408 -4.390 466 HG2 GLU 56 1HG GLU 56 -2.255 -7.356 -4.874 467 HG3 GLU 56 2HG GLU 56 -2.523 -7.761 -3.179 468 H ASN 57 H ASN 57 -0.565 -8.749 -3.695 469 HA ASN 57 HA ASN 57 2.131 -9.096 -4.534 470 HB2 ASN 57 1HB ASN 57 1.159 -11.114 -5.748 471 HB3 ASN 57 2HB ASN 57 0.927 -11.071 -4.002 472 HD21 ASN 57 2HD2 ASN 57 -1.092 -11.022 -3.184 473 HD22 ASN 57 1HD2 ASN 57 -2.529 -11.046 -4.142 474 H ASP 58 H ASP 58 -0.786 -7.948 -6.076 475 HA ASP 58 HA ASP 58 -0.120 -8.186 -8.755 476 HB2 ASP 58 1HB ASP 58 -2.315 -7.390 -7.806 477 HB3 ASP 58 2HB ASP 58 -1.559 -5.821 -7.544 478 H VAL 59 H VAL 59 1.115 -6.011 -6.347 479 HA VAL 59 HA VAL 59 2.145 -3.971 -7.944 480 HB VAL 59 HB VAL 59 3.360 -5.095 -5.416 481 HG11 VAL 59 1HG1 VAL 59 5.017 -3.714 -6.179 482 HG12 VAL 59 2HG1 VAL 59 3.897 -2.670 -7.056 483 HG13 VAL 59 3HG1 VAL 59 4.028 -2.548 -5.301 484 HG21 VAL 59 3HG2 VAL 59 1.503 -2.740 -5.652 485 HG22 VAL 59 1HG2 VAL 59 0.932 -4.375 -5.319 486 HG23 VAL 59 2HG2 VAL 59 2.028 -3.577 -4.191 487 H LYS 60 H LYS 60 4.082 -3.650 -8.991 488 HA LYS 60 HA LYS 60 6.156 -5.644 -8.977 489 HB2 LYS 60 1HB LYS 60 5.944 -5.786 -11.589 490 HB3 LYS 60 2HB LYS 60 4.995 -6.853 -10.561 491 HG2 LYS 60 1HG LYS 60 3.026 -5.767 -11.016 492 HG3 LYS 60 2HG LYS 60 3.830 -4.247 -11.412 493 HD2 LYS 60 1HD LYS 60 4.081 -4.811 -13.572 494 HD3 LYS 60 2HD LYS 60 4.540 -6.470 -13.181 495 HE2 LYS 60 1HE LYS 60 1.710 -5.708 -12.746 496 HE3 LYS 60 2HE LYS 60 2.255 -5.849 -14.416 497 HZ1 LYS 60 3HZ LYS 60 2.618 -8.077 -14.208 498 HZ2 LYS 60 1HZ LYS 60 1.329 -7.907 -13.125 499 HZ3 LYS 60 2HZ LYS 60 2.914 -8.006 -12.544 500 H LEU 61 H LEU 61 7.711 -5.038 -10.982 501 HA LEU 61 HA LEU 61 8.729 -2.486 -10.385 502 HB2 LEU 61 1HB LEU 61 10.186 -4.207 -11.180 503 HB3 LEU 61 2HB LEU 61 9.267 -4.365 -12.676 504 HG LEU 61 HG LEU 61 11.549 -3.148 -12.709 505 HD11 LEU 61 1HD1 LEU 61 9.400 -3.123 -14.348 506 HD12 LEU 61 2HD1 LEU 61 10.917 -2.291 -14.688 507 HD13 LEU 61 3HD1 LEU 61 9.562 -1.403 -13.992 508 HD21 LEU 61 3HD2 LEU 61 10.049 -0.668 -12.148 509 HD22 LEU 61 1HD2 LEU 61 11.743 -1.065 -11.859 510 HD23 LEU 61 2HD2 LEU 61 10.500 -1.644 -10.749 511 H GLY 62 H GLY 62 6.934 -3.677 -13.216 512 HA2 GLY 62 1HA GLY 62 6.926 -1.210 -14.605 513 HA3 GLY 62 2HA GLY 62 5.836 -2.557 -14.894 514 H ALA 63 H ALA 63 5.311 -2.124 -11.795 515 HA ALA 63 HA ALA 63 3.083 -0.278 -12.270 516 HB1 ALA 63 1HB ALA 63 3.453 -2.049 -9.869 517 HB2 ALA 63 2HB ALA 63 1.972 -1.285 -10.447 518 HB3 ALA 63 3HB ALA 63 2.697 -2.607 -11.362 519 H LEU 64 H LEU 64 6.050 -0.596 -10.535 520 HA LEU 64 HA LEU 64 5.427 1.779 -8.920 521 HB2 LEU 64 1HB LEU 64 7.786 -0.065 -8.619 522 HB3 LEU 64 2HB LEU 64 7.224 1.157 -7.480 523 HG LEU 64 HG LEU 64 5.445 -1.144 -8.168 524 HD11 LEU 64 1HD1 LEU 64 7.952 -1.716 -7.402 525 HD12 LEU 64 2HD1 LEU 64 6.547 -2.668 -6.922 526 HD13 LEU 64 3HD1 LEU 64 7.208 -1.457 -5.824 527 HD21 LEU 64 3HD2 LEU 64 4.396 0.488 -6.848 528 HD22 LEU 64 1HD2 LEU 64 5.824 0.715 -5.839 529 HD23 LEU 64 2HD2 LEU 64 4.881 -0.770 -5.711 530 H LYS 65 H LYS 65 8.258 0.399 -10.601 531 HA LYS 65 HA LYS 65 9.891 1.354 -11.865 532 HB2 LYS 65 1HB LYS 65 7.935 3.633 -12.211 533 HB3 LYS 65 2HB LYS 65 9.332 3.292 -13.223 534 HG2 LYS 65 1HG LYS 65 7.262 1.182 -12.922 535 HG3 LYS 65 2HG LYS 65 6.904 2.580 -13.938 536 HD2 LYS 65 1HD LYS 65 9.484 1.101 -14.269 537 HD3 LYS 65 2HD LYS 65 8.003 0.470 -14.991 538 HE2 LYS 65 1HE LYS 65 8.722 1.762 -16.722 539 HE3 LYS 65 2HE LYS 65 7.801 2.977 -15.837 540 HZ1 LYS 65 3HZ LYS 65 10.284 3.373 -16.610 541 HZ2 LYS 65 1HZ LYS 65 10.608 2.653 -15.114 542 HZ3 LYS 65 2HZ LYS 65 9.665 4.055 -15.191 543 H LEU 66 H LEU 66 9.535 1.974 -8.952 544 HA LEU 66 HA LEU 66 10.615 4.637 -8.646 545 HB2 LEU 66 1HB LEU 66 9.524 2.556 -6.917 546 HB3 LEU 66 2HB LEU 66 10.919 3.378 -6.220 547 HG LEU 66 HG LEU 66 8.862 4.406 -5.461 548 HD11 LEU 66 1HD1 LEU 66 10.190 6.221 -7.463 549 HD12 LEU 66 2HD1 LEU 66 10.889 5.794 -5.902 550 HD13 LEU 66 3HD1 LEU 66 9.367 6.682 -5.973 551 HD21 LEU 66 3HD2 LEU 66 8.275 4.582 -8.396 552 HD22 LEU 66 1HD2 LEU 66 7.524 5.685 -7.243 553 HD23 LEU 66 2HD2 LEU 66 7.266 3.947 -7.096 554 H LYS 67 H LYS 67 12.512 4.603 -6.836 555 HA LYS 67 HA LYS 67 14.620 2.819 -7.861 556 HB2 LYS 67 1HB LYS 67 16.113 4.918 -7.237 557 HB3 LYS 67 2HB LYS 67 15.355 4.766 -8.817 558 HG2 LYS 67 1HG LYS 67 13.655 6.299 -8.262 559 HG3 LYS 67 2HG LYS 67 14.061 6.243 -6.545 560 HD2 LYS 67 1HD LYS 67 14.904 8.296 -7.446 561 HD3 LYS 67 2HD LYS 67 16.278 7.239 -7.110 562 HE2 LYS 67 1HE LYS 67 16.736 8.141 -9.220 563 HE3 LYS 67 2HE LYS 67 16.101 6.531 -9.559 564 HZ1 LYS 67 3HZ LYS 67 15.174 8.303 -10.993 565 HZ2 LYS 67 1HZ LYS 67 14.466 9.007 -9.627 566 HZ3 LYS 67 2HZ LYS 67 13.993 7.461 -10.123 567 HA PRO 68 HA PRO 68 15.649 1.843 -3.709 568 HB2 PRO 68 1HB PRO 68 18.359 1.713 -3.789 569 HB3 PRO 68 2HB PRO 68 17.317 0.497 -4.536 570 HG2 PRO 68 1HG PRO 68 18.736 2.809 -5.800 571 HG3 PRO 68 2HG PRO 68 18.574 1.142 -6.382 572 HD2 PRO 68 1HD PRO 68 17.047 3.169 -7.326 573 HD3 PRO 68 2HD PRO 68 16.451 1.501 -7.203 574 H ASN 69 H ASN 69 16.860 4.751 -5.113 575 HA ASN 69 HA ASN 69 18.348 5.866 -3.062 576 HB2 ASN 69 1HB ASN 69 18.245 6.986 -5.173 577 HB3 ASN 69 2HB ASN 69 16.495 7.160 -5.066 578 HD21 ASN 69 2HD2 ASN 69 16.260 9.306 -5.079 579 HD22 ASN 69 1HD2 ASN 69 16.958 10.384 -3.922 580 H THR 70 H THR 70 14.941 5.306 -3.254 581 HA THR 70 HA THR 70 13.873 7.160 -1.525 582 HB THR 70 HB THR 70 12.432 5.012 -0.781 583 HG1 THR 70 HG1 THR 70 13.157 4.241 -3.384 584 HG21 THR 70 3HG2 THR 70 10.969 5.476 -2.686 585 HG22 THR 70 1HG2 THR 70 12.278 6.342 -3.489 586 HG23 THR 70 2HG2 THR 70 11.592 6.972 -1.991 587 H LYS 71 H LYS 71 15.498 4.116 -0.714 588 HA LYS 71 HA LYS 71 16.446 3.360 1.210 589 HB2 LYS 71 1HB LYS 71 16.618 6.294 1.423 590 HB3 LYS 71 2HB LYS 71 16.734 5.435 2.954 591 HG2 LYS 71 1HG LYS 71 18.636 4.217 2.223 592 HG3 LYS 71 2HG LYS 71 18.432 4.777 0.562 593 HD2 LYS 71 1HD LYS 71 19.000 7.022 1.184 594 HD3 LYS 71 2HD LYS 71 18.994 6.599 2.898 595 HE2 LYS 71 1HE LYS 71 21.267 6.700 2.204 596 HE3 LYS 71 2HE LYS 71 20.861 4.997 2.411 597 HZ1 LYS 71 3HZ LYS 71 21.404 4.617 0.313 598 HZ2 LYS 71 1HZ LYS 71 21.904 6.225 0.153 599 HZ3 LYS 71 2HZ LYS 71 20.318 5.790 -0.241 600 H ILE 72 H ILE 72 15.079 2.061 2.262 601 HA ILE 72 HA ILE 72 12.872 3.260 3.786 602 HB ILE 72 HB ILE 72 12.219 1.527 2.182 603 HG12 ILE 72 1HG1 ILE 72 11.277 1.816 4.660 604 HG13 ILE 72 2HG1 ILE 72 10.663 0.578 3.570 605 HG21 ILE 72 1HG2 ILE 72 14.181 -0.137 3.729 606 HG22 ILE 72 2HG2 ILE 72 12.884 -0.864 2.782 607 HG23 ILE 72 3HG2 ILE 72 14.098 0.140 1.990 608 HD11 ILE 72 3HD1 ILE 72 11.719 -1.123 4.695 609 HD12 ILE 72 1HD1 ILE 72 12.938 -0.053 5.388 610 HD13 ILE 72 2HD1 ILE 72 11.287 -0.030 6.009 611 H MET 73 H MET 73 12.559 2.801 5.956 612 HA MET 73 HA MET 73 14.802 1.459 7.316 613 HB2 MET 73 1HB MET 73 13.683 4.130 7.690 614 HB3 MET 73 2HB MET 73 13.748 3.205 9.184 615 HG2 MET 73 1HG MET 73 15.804 4.145 9.259 616 HG3 MET 73 2HG MET 73 16.199 2.697 8.335 617 HE1 MET 73 3HE MET 73 16.671 6.917 7.586 618 HE2 MET 73 1HE MET 73 16.895 5.823 8.951 619 HE3 MET 73 2HE MET 73 18.130 5.932 7.697 620 H MET 74 H MET 74 14.218 -0.275 8.434 621 HA MET 74 HA MET 74 11.392 -0.597 9.158 622 HB2 MET 74 1HB MET 74 13.622 -2.608 8.837 623 HB3 MET 74 2HB MET 74 12.028 -3.016 9.456 624 HG2 MET 74 1HG MET 74 11.330 -1.785 7.177 625 HG3 MET 74 2HG MET 74 12.903 -2.426 6.709 626 HE1 MET 74 3HE MET 74 11.937 -4.841 4.930 627 HE2 MET 74 1HE MET 74 10.203 -4.548 5.069 628 HE3 MET 74 2HE MET 74 11.321 -3.188 4.959 629 H MET 75 H MET 75 10.783 -1.270 11.239 630 HA MET 75 HA MET 75 12.856 -1.194 13.310 631 HB2 MET 75 1HB MET 75 11.786 1.066 13.085 632 HB3 MET 75 2HB MET 75 10.255 0.326 13.534 633 HG2 MET 75 1HG MET 75 10.875 0.029 15.713 634 HG3 MET 75 2HG MET 75 12.593 -0.048 15.328 635 HE1 MET 75 3HE MET 75 9.902 2.837 14.340 636 HE2 MET 75 1HE MET 75 9.484 2.066 15.871 637 HE3 MET 75 2HE MET 75 10.049 3.737 15.850 638 H GLY 76 H GLY 76 12.144 -2.100 15.376 639 HA2 GLY 76 1HA GLY 76 11.247 -3.845 16.569 640 HA3 GLY 76 2HA GLY 76 9.717 -3.343 15.864 641 H THR 77 H THR 77 12.394 -4.452 13.914 642 HA THR 77 HA THR 77 10.750 -6.700 13.023 643 HB THR 77 HB THR 77 12.687 -6.886 11.292 644 HG1 THR 77 HG1 THR 77 13.920 -5.076 11.061 645 HG21 THR 77 3HG2 THR 77 10.783 -4.541 11.290 646 HG22 THR 77 1HG2 THR 77 10.429 -6.172 10.721 647 HG23 THR 77 2HG2 THR 77 11.617 -5.181 9.874 648 H ARG 78 H ARG 78 11.108 -7.992 14.920 649 HA ARG 78 HA ARG 78 13.701 -8.792 15.748 650 HB2 ARG 78 1HB ARG 78 11.099 -10.268 16.173 651 HB3 ARG 78 2HB ARG 78 12.572 -10.429 17.119 652 HG2 ARG 78 1HG ARG 78 10.940 -7.907 16.928 653 HG3 ARG 78 2HG ARG 78 10.811 -9.093 18.229 654 HD2 ARG 78 1HD ARG 78 13.271 -7.511 17.489 655 HD3 ARG 78 2HD ARG 78 12.236 -7.233 18.889 656 HE ARG 78 HE ARG 78 13.061 -9.842 19.101 657 HH11 ARG 78 1HH1 ARG 78 14.608 -6.730 18.905 658 HH12 ARG 78 2HH1 ARG 78 15.983 -7.208 19.845 659 HH21 ARG 78 1HH2 ARG 78 14.866 -10.485 20.339 660 HH22 ARG 78 2HH2 ARG 78 16.129 -9.345 20.659 661 H GLU 79 H GLU 79 14.174 -11.275 15.829 662 HA GLU 79 HA GLU 79 13.396 -12.754 13.487 663 HB2 GLU 79 1HB GLU 79 15.633 -12.944 12.524 664 HB3 GLU 79 2HB GLU 79 15.097 -11.270 12.532 665 HG2 GLU 79 1HG GLU 79 17.256 -11.050 13.248 666 HG3 GLU 79 2HG GLU 79 16.397 -11.154 14.784 667 H GLU 80 H GLU 80 14.681 -14.862 13.367 668 HA GLU 80 HA GLU 80 14.779 -15.962 16.053 669 HB2 GLU 80 1HB GLU 80 13.594 -17.097 14.140 670 HB3 GLU 80 2HB GLU 80 15.173 -17.409 13.432 671 HG2 GLU 80 1HG GLU 80 15.658 -18.480 15.776 672 HG3 GLU 80 2HG GLU 80 13.901 -18.605 15.838 673 H SER 81 H SER 81 16.666 -15.315 16.999 674 HA SER 81 HA SER 81 19.171 -15.159 15.757 675 HB2 SER 81 1HB SER 81 20.060 -15.304 18.135 676 HB3 SER 81 2HB SER 81 18.880 -14.028 17.834 677 HG SER 81 HG SER 81 18.004 -14.926 19.552 Start of MODEL 3 1 H1 MET 1 H MET 1 2.364 0.870 0.770 2 HA MET 1 HA MET 1 1.908 -1.355 -1.104 3 HB2 MET 1 1HB MET 1 1.505 1.198 -1.699 4 HB3 MET 1 2HB MET 1 3.241 1.167 -1.975 5 HG2 MET 1 1HG MET 1 2.216 0.763 -4.057 6 HG3 MET 1 2HG MET 1 2.866 -0.780 -3.507 7 HE1 MET 1 3HE MET 1 0.423 0.917 -5.175 8 HE2 MET 1 1HE MET 1 0.203 -0.693 -5.861 9 HE3 MET 1 2HE MET 1 -1.130 0.094 -5.017 10 H ALA 2 H ALA 2 3.784 -2.080 -2.343 11 HA ALA 2 HA ALA 2 6.166 -2.150 -0.649 12 HB1 ALA 2 1HB ALA 2 4.846 -4.030 -2.374 13 HB2 ALA 2 2HB ALA 2 6.538 -3.854 -2.840 14 HB3 ALA 2 3HB ALA 2 6.121 -4.303 -1.186 15 H LEU 3 H LEU 3 7.158 -0.193 -1.104 16 HA LEU 3 HA LEU 3 7.703 0.566 -3.843 17 HB2 LEU 3 1HB LEU 3 8.620 1.789 -1.244 18 HB3 LEU 3 2HB LEU 3 8.847 2.493 -2.843 19 HG LEU 3 HG LEU 3 6.257 2.423 -2.970 20 HD11 LEU 3 1HD1 LEU 3 5.345 2.847 -0.603 21 HD12 LEU 3 2HD1 LEU 3 6.784 1.989 -0.053 22 HD13 LEU 3 3HD1 LEU 3 5.626 1.181 -1.109 23 HD21 LEU 3 3HD2 LEU 3 7.081 4.429 -0.973 24 HD22 LEU 3 1HD2 LEU 3 6.298 4.637 -2.539 25 HD23 LEU 3 2HD2 LEU 3 8.039 4.371 -2.453 26 HA PRO 4 HA PRO 4 11.605 -1.433 -4.216 27 HB2 PRO 4 1HB PRO 4 12.747 0.173 -6.083 28 HB3 PRO 4 2HB PRO 4 11.458 -0.975 -6.463 29 HG2 PRO 4 1HG PRO 4 11.287 1.975 -5.984 30 HG3 PRO 4 2HG PRO 4 10.485 0.994 -7.224 31 HD2 PRO 4 1HD PRO 4 9.222 1.814 -4.974 32 HD3 PRO 4 2HD PRO 4 8.844 0.275 -5.774 33 H MET 5 H MET 5 12.114 -0.706 -1.958 34 HA MET 5 HA MET 5 14.309 1.254 -2.021 35 HB2 MET 5 1HB MET 5 12.825 0.921 0.523 36 HB3 MET 5 2HB MET 5 13.570 2.357 -0.166 37 HG2 MET 5 1HG MET 5 11.684 2.412 -1.823 38 HG3 MET 5 2HG MET 5 10.913 1.148 -0.868 39 HE1 MET 5 3HE MET 5 9.500 1.348 0.605 40 HE2 MET 5 1HE MET 5 9.944 2.113 2.131 41 HE3 MET 5 2HE MET 5 8.711 2.845 1.105 42 H ILE 6 H ILE 6 15.791 0.982 -0.086 43 HA ILE 6 HA ILE 6 16.195 -1.895 0.399 44 HB ILE 6 HB ILE 6 18.243 0.326 0.377 45 HG12 ILE 6 1HG1 ILE 6 18.272 -2.013 -1.483 46 HG13 ILE 6 2HG1 ILE 6 17.160 -0.689 -1.814 47 HG21 ILE 6 1HG2 ILE 6 18.755 -1.422 2.020 48 HG22 ILE 6 2HG2 ILE 6 18.624 -2.641 0.754 49 HG23 ILE 6 3HG2 ILE 6 19.900 -1.426 0.679 50 HD11 ILE 6 3HD1 ILE 6 19.334 -0.533 -3.000 51 HD12 ILE 6 1HD1 ILE 6 18.960 0.864 -1.991 52 HD13 ILE 6 2HD1 ILE 6 20.121 -0.341 -1.433 53 H VAL 7 H VAL 7 16.500 -2.643 2.447 54 HA VAL 7 HA VAL 7 15.971 -0.735 4.611 55 HB VAL 7 HB VAL 7 15.568 -2.838 5.971 56 HG11 VAL 7 1HG1 VAL 7 13.721 -1.516 5.194 57 HG12 VAL 7 2HG1 VAL 7 13.824 -2.238 3.587 58 HG13 VAL 7 3HG1 VAL 7 13.327 -3.220 4.966 59 HG21 VAL 7 3HG2 VAL 7 15.265 -4.916 4.882 60 HG22 VAL 7 1HG2 VAL 7 15.394 -4.180 3.284 61 HG23 VAL 7 2HG2 VAL 7 16.817 -4.295 4.320 62 H LYS 8 H LYS 8 17.419 -0.311 6.169 63 HA LYS 8 HA LYS 8 19.794 -2.023 6.398 64 HB2 LYS 8 1HB LYS 8 19.961 0.988 6.449 65 HB3 LYS 8 2HB LYS 8 21.288 -0.166 6.400 66 HG2 LYS 8 1HG LYS 8 20.601 -0.835 4.138 67 HG3 LYS 8 2HG LYS 8 19.311 0.369 4.191 68 HD2 LYS 8 1HD LYS 8 20.949 1.548 3.095 69 HD3 LYS 8 2HD LYS 8 21.289 1.999 4.768 70 HE2 LYS 8 1HE LYS 8 22.824 -0.151 4.654 71 HE3 LYS 8 2HE LYS 8 22.797 0.211 2.929 72 HZ1 LYS 8 3HZ LYS 8 24.602 1.410 3.643 73 HZ2 LYS 8 1HZ LYS 8 23.912 1.798 5.138 74 HZ3 LYS 8 2HZ LYS 8 23.388 2.585 3.735 75 H TRP 9 H TRP 9 18.505 -2.770 8.258 76 HA TRP 9 HA TRP 9 18.341 -0.899 10.492 77 HB2 TRP 9 1HB TRP 9 16.430 -2.412 9.991 78 HB3 TRP 9 2HB TRP 9 17.465 -3.792 10.349 79 HD1 TRP 9 HD1 TRP 9 16.749 -4.728 12.615 80 HE1 TRP 9 HE1 TRP 9 16.167 -3.744 14.921 81 HE3 TRP 9 HE3 TRP 9 17.053 0.246 11.475 82 HZ2 TRP 9 HZ2 TRP 9 15.874 -1.196 16.100 83 HZ3 TRP 9 HZ3 TRP 9 16.606 1.892 13.248 84 HH2 TRP 9 HH2 TRP 9 16.029 1.184 15.512 85 H GLY 10 H GLY 10 20.876 -1.023 10.137 86 HA2 GLY 10 1HA GLY 10 22.893 -1.557 11.091 87 HA3 GLY 10 2HA GLY 10 21.961 -2.151 12.457 88 H GLY 11 H GLY 11 21.626 -4.333 12.707 89 HA2 GLY 11 1HA GLY 11 23.510 -6.077 11.551 90 HA3 GLY 11 2HA GLY 11 22.114 -6.566 12.501 91 H GLN 12 H GLN 12 20.025 -5.718 10.943 92 HA GLN 12 HA GLN 12 20.239 -7.572 8.696 93 HB2 GLN 12 1HB GLN 12 17.799 -6.239 9.882 94 HB3 GLN 12 2HB GLN 12 17.792 -7.483 8.639 95 HG2 GLN 12 1HG GLN 12 18.249 -9.153 10.106 96 HG3 GLN 12 2HG GLN 12 19.169 -8.106 11.184 97 HE21 GLN 12 2HE2 GLN 12 18.187 -8.478 13.079 98 HE22 GLN 12 1HE2 GLN 12 16.514 -8.187 13.395 99 H GLU 13 H GLU 13 20.949 -6.662 6.874 100 HA GLU 13 HA GLU 13 19.752 -4.094 6.062 101 HB2 GLU 13 1HB GLU 13 22.189 -3.961 6.650 102 HB3 GLU 13 2HB GLU 13 22.514 -5.070 5.324 103 HG2 GLU 13 1HG GLU 13 21.139 -3.243 3.975 104 HG3 GLU 13 2HG GLU 13 21.749 -2.212 5.268 105 H TYR 14 H TYR 14 18.106 -5.537 5.109 106 HA TYR 14 HA TYR 14 18.949 -7.057 2.775 107 HB2 TYR 14 1HB TYR 14 16.952 -7.456 4.604 108 HB3 TYR 14 2HB TYR 14 16.065 -6.748 3.259 109 HD1 TYR 14 HD1 TYR 14 18.904 -9.175 3.492 110 HD2 TYR 14 HD2 TYR 14 14.987 -8.375 2.036 111 HE1 TYR 14 HE1 TYR 14 18.884 -11.360 2.363 112 HE2 TYR 14 HE2 TYR 14 14.955 -10.558 0.904 113 HH TYR 14 HH TYR 14 16.131 -12.809 1.213 114 H SER 15 H SER 15 17.062 -6.796 0.948 115 HA SER 15 HA SER 15 16.901 -3.922 0.326 116 HB2 SER 15 1HB SER 15 17.193 -4.743 -2.130 117 HB3 SER 15 2HB SER 15 18.621 -4.587 -1.107 118 HG SER 15 HG SER 15 18.333 -6.619 -2.352 119 H VAL 16 H VAL 16 14.789 -3.495 0.510 120 HA VAL 16 HA VAL 16 12.791 -5.430 -0.311 121 HB VAL 16 HB VAL 16 12.299 -2.618 0.660 122 HG11 VAL 16 1HG1 VAL 16 10.184 -3.167 0.249 123 HG12 VAL 16 2HG1 VAL 16 10.626 -4.834 -0.124 124 HG13 VAL 16 3HG1 VAL 16 10.310 -4.356 1.544 125 HG21 VAL 16 3HG2 VAL 16 13.713 -3.797 2.275 126 HG22 VAL 16 1HG2 VAL 16 12.086 -3.543 2.907 127 HG23 VAL 16 2HG2 VAL 16 12.561 -5.132 2.309 128 H THR 17 H THR 17 14.140 -4.886 -2.526 129 HA THR 17 HA THR 17 13.097 -2.647 -3.985 130 HB THR 17 HB THR 17 15.293 -3.440 -4.570 131 HG1 THR 17 HG1 THR 17 14.341 -2.660 -6.378 132 HG21 THR 17 3HG2 THR 17 14.594 -5.921 -5.879 133 HG22 THR 17 1HG2 THR 17 14.217 -5.982 -4.158 134 HG23 THR 17 2HG2 THR 17 15.854 -5.598 -4.688 135 H THR 18 H THR 18 11.818 -2.803 -5.930 136 HA THR 18 HA THR 18 9.566 -4.554 -5.592 137 HB THR 18 HB THR 18 9.342 -2.194 -6.375 138 HG1 THR 18 HG1 THR 18 7.841 -4.059 -6.896 139 HG21 THR 18 3HG2 THR 18 10.075 -1.462 -8.433 140 HG22 THR 18 1HG2 THR 18 10.118 -3.086 -9.116 141 HG23 THR 18 2HG2 THR 18 11.377 -2.567 -7.996 142 H LEU 19 H LEU 19 12.535 -4.947 -7.026 143 HA LEU 19 HA LEU 19 13.415 -6.573 -8.352 144 HB2 LEU 19 1HB LEU 19 10.722 -7.860 -8.573 145 HB3 LEU 19 2HB LEU 19 12.315 -8.614 -8.580 146 HG LEU 19 HG LEU 19 10.987 -7.385 -6.165 147 HD11 LEU 19 1HD1 LEU 19 11.488 -10.250 -6.152 148 HD12 LEU 19 2HD1 LEU 19 10.334 -9.758 -7.391 149 HD13 LEU 19 3HD1 LEU 19 10.040 -9.348 -5.701 150 HD21 LEU 19 3HD2 LEU 19 13.104 -7.324 -5.435 151 HD22 LEU 19 1HD2 LEU 19 13.683 -8.377 -6.725 152 HD23 LEU 19 2HD2 LEU 19 12.940 -9.074 -5.285 153 H SER 20 H SER 20 12.863 -7.786 -10.573 154 HA SER 20 HA SER 20 12.329 -5.656 -12.435 155 HB2 SER 20 1HB SER 20 14.095 -7.532 -12.655 156 HB3 SER 20 2HB SER 20 12.752 -8.539 -13.195 157 HG SER 20 HG SER 20 13.717 -6.150 -14.375 158 H GLU 21 H GLU 21 11.023 -6.424 -14.499 159 HA GLU 21 HA GLU 21 8.316 -6.634 -13.660 160 HB2 GLU 21 1HB GLU 21 7.767 -6.575 -16.027 161 HB3 GLU 21 2HB GLU 21 9.001 -5.376 -15.665 162 HG2 GLU 21 1HG GLU 21 10.624 -7.317 -16.380 163 HG3 GLU 21 2HG GLU 21 9.195 -7.886 -17.241 164 H ASP 22 H ASP 22 10.685 -8.910 -14.836 165 HA ASP 22 HA ASP 22 8.997 -11.011 -15.589 166 HB2 ASP 22 1HB ASP 22 11.840 -10.824 -14.683 167 HB3 ASP 22 2HB ASP 22 11.091 -12.414 -14.803 168 H ASP 23 H ASP 23 9.888 -9.815 -12.472 169 HA ASP 23 HA ASP 23 8.525 -12.104 -11.209 170 HB2 ASP 23 1HB ASP 23 10.531 -10.263 -9.896 171 HB3 ASP 23 2HB ASP 23 9.854 -11.748 -9.233 172 H THR 24 H THR 24 8.073 -11.087 -8.721 173 HA THR 24 HA THR 24 6.687 -8.546 -8.982 174 HB THR 24 HB THR 24 4.683 -9.920 -7.778 175 HG1 THR 24 HG1 THR 24 6.005 -11.678 -9.560 176 HG21 THR 24 3HG2 THR 24 5.212 -8.999 -10.541 177 HG22 THR 24 1HG2 THR 24 3.923 -8.551 -9.425 178 HG23 THR 24 2HG2 THR 24 3.828 -10.069 -10.318 179 H VAL 25 H VAL 25 5.524 -8.049 -6.817 180 HA VAL 25 HA VAL 25 7.465 -8.078 -4.772 181 HB VAL 25 HB VAL 25 4.539 -7.359 -4.748 182 HG11 VAL 25 1HG1 VAL 25 5.144 -6.263 -2.516 183 HG12 VAL 25 2HG1 VAL 25 4.888 -8.009 -2.526 184 HG13 VAL 25 3HG1 VAL 25 6.527 -7.357 -2.500 185 HG21 VAL 25 3HG2 VAL 25 5.453 -5.067 -4.485 186 HG22 VAL 25 1HG2 VAL 25 7.077 -5.732 -4.663 187 HG23 VAL 25 2HG2 VAL 25 5.929 -5.838 -5.998 188 H LEU 26 H LEU 26 4.752 -10.159 -5.487 189 HA LEU 26 HA LEU 26 4.330 -11.408 -3.061 190 HB2 LEU 26 1HB LEU 26 3.559 -13.341 -4.347 191 HB3 LEU 26 2HB LEU 26 2.940 -11.823 -4.994 192 HG LEU 26 HG LEU 26 5.029 -12.083 -6.605 193 HD11 LEU 26 1HD1 LEU 26 6.086 -14.023 -6.427 194 HD12 LEU 26 2HD1 LEU 26 4.609 -14.829 -6.952 195 HD13 LEU 26 3HD1 LEU 26 4.925 -14.601 -5.232 196 HD21 LEU 26 3HD2 LEU 26 2.289 -13.263 -6.760 197 HD22 LEU 26 1HD2 LEU 26 3.430 -13.506 -8.083 198 HD23 LEU 26 2HD2 LEU 26 2.963 -11.872 -7.610 199 H ASP 27 H ASP 27 6.904 -11.910 -5.396 200 HA ASP 27 HA ASP 27 7.957 -14.281 -4.275 201 HB2 ASP 27 1HB ASP 27 8.902 -12.220 -6.197 202 HB3 ASP 27 2HB ASP 27 10.133 -13.223 -5.434 203 H LEU 28 H LEU 28 9.381 -11.011 -4.147 204 HA LEU 28 HA LEU 28 11.249 -11.494 -2.178 205 HB2 LEU 28 1HB LEU 28 11.553 -9.222 -2.056 206 HB3 LEU 28 2HB LEU 28 10.782 -9.393 -3.632 207 HG LEU 28 HG LEU 28 8.601 -8.938 -2.175 208 HD11 LEU 28 1HD1 LEU 28 9.255 -8.575 -0.041 209 HD12 LEU 28 2HD1 LEU 28 9.513 -6.941 -0.650 210 HD13 LEU 28 3HD1 LEU 28 10.874 -8.053 -0.506 211 HD21 LEU 28 3HD2 LEU 28 10.056 -7.570 -4.036 212 HD22 LEU 28 1HD2 LEU 28 10.042 -6.443 -2.680 213 HD23 LEU 28 2HD2 LEU 28 8.522 -7.034 -3.350 214 H LYS 29 H LYS 29 7.821 -10.928 -1.863 215 HA LYS 29 HA LYS 29 7.694 -10.287 0.860 216 HB2 LYS 29 1HB LYS 29 5.853 -10.352 -1.026 217 HB3 LYS 29 2HB LYS 29 5.570 -11.972 -0.403 218 HG2 LYS 29 1HG LYS 29 5.430 -10.802 1.900 219 HG3 LYS 29 2HG LYS 29 5.185 -9.336 0.949 220 HD2 LYS 29 1HD LYS 29 3.545 -11.838 0.596 221 HD3 LYS 29 2HD LYS 29 3.084 -10.518 1.672 222 HE2 LYS 29 1HE LYS 29 3.765 -9.886 -1.157 223 HE3 LYS 29 2HE LYS 29 2.208 -10.637 -0.812 224 HZ1 LYS 29 3HZ LYS 29 3.027 -8.308 0.771 225 HZ2 LYS 29 1HZ LYS 29 1.476 -8.817 0.327 226 HZ3 LYS 29 2HZ LYS 29 2.474 -8.056 -0.807 227 H GLN 30 H GLN 30 7.283 -13.460 -0.717 228 HA GLN 30 HA GLN 30 7.037 -14.973 1.614 229 HB2 GLN 30 1HB GLN 30 7.855 -15.580 -1.195 230 HB3 GLN 30 2HB GLN 30 8.081 -16.813 0.037 231 HG2 GLN 30 1HG GLN 30 5.641 -16.500 0.612 232 HG3 GLN 30 2HG GLN 30 5.515 -15.545 -0.864 233 HE21 GLN 30 2HE2 GLN 30 4.381 -18.184 0.003 234 HE22 GLN 30 1HE2 GLN 30 4.775 -19.268 -1.282 235 H PHE 31 H PHE 31 9.860 -13.716 -0.008 236 HA PHE 31 HA PHE 31 11.786 -15.335 1.299 237 HB2 PHE 31 1HB PHE 31 11.830 -12.841 -0.320 238 HB3 PHE 31 2HB PHE 31 13.230 -13.162 0.696 239 HD1 PHE 31 HD1 PHE 31 13.807 -15.886 0.553 240 HD2 PHE 31 HD2 PHE 31 12.184 -13.409 -2.504 241 HE1 PHE 31 HE1 PHE 31 14.697 -17.417 -1.156 242 HE2 PHE 31 HE2 PHE 31 13.070 -14.936 -4.217 243 HZ PHE 31 HZ PHE 31 14.328 -16.944 -3.544 244 H LEU 32 H LEU 32 10.236 -12.287 2.095 245 HA LEU 32 HA LEU 32 11.940 -11.636 4.279 246 HB2 LEU 32 1HB LEU 32 9.149 -10.740 3.586 247 HB3 LEU 32 2HB LEU 32 10.107 -10.065 4.902 248 HG LEU 32 HG LEU 32 10.688 -9.881 1.949 249 HD11 LEU 32 1HD1 LEU 32 10.170 -7.617 2.117 250 HD12 LEU 32 2HD1 LEU 32 10.280 -7.623 3.876 251 HD13 LEU 32 3HD1 LEU 32 8.916 -8.403 3.077 252 HD21 LEU 32 3HD2 LEU 32 12.357 -9.254 4.351 253 HD22 LEU 32 1HD2 LEU 32 12.526 -8.304 2.874 254 HD23 LEU 32 2HD2 LEU 32 12.816 -10.044 2.841 255 H LYS 33 H LYS 33 9.013 -13.521 3.925 256 HA LYS 33 HA LYS 33 8.451 -13.731 6.716 257 HB2 LYS 33 1HB LYS 33 7.565 -15.562 4.480 258 HB3 LYS 33 2HB LYS 33 6.834 -15.423 6.073 259 HG2 LYS 33 1HG LYS 33 5.887 -13.360 5.600 260 HG3 LYS 33 2HG LYS 33 6.995 -13.049 4.262 261 HD2 LYS 33 1HD LYS 33 5.854 -15.166 3.224 262 HD3 LYS 33 2HD LYS 33 4.556 -14.770 4.353 263 HE2 LYS 33 1HE LYS 33 5.714 -12.689 2.532 264 HE3 LYS 33 2HE LYS 33 4.466 -13.797 1.966 265 HZ1 LYS 33 3HZ LYS 33 3.836 -12.585 4.489 266 HZ2 LYS 33 1HZ LYS 33 2.902 -12.700 3.084 267 HZ3 LYS 33 2HZ LYS 33 4.028 -11.450 3.250 268 H THR 34 H THR 34 10.362 -15.561 4.425 269 HA THR 34 HA THR 34 10.847 -17.702 6.330 270 HB THR 34 HB THR 34 12.162 -18.754 4.584 271 HG1 THR 34 HG1 THR 34 13.177 -17.072 3.570 272 HG21 THR 34 3HG2 THR 34 9.521 -17.604 3.720 273 HG22 THR 34 1HG2 THR 34 9.865 -19.218 4.340 274 HG23 THR 34 2HG2 THR 34 10.409 -18.759 2.726 275 H LEU 35 H LEU 35 12.382 -14.813 5.161 276 HA LEU 35 HA LEU 35 14.977 -15.496 6.239 277 HB2 LEU 35 1HB LEU 35 14.896 -14.158 4.244 278 HB3 LEU 35 2HB LEU 35 13.875 -12.961 5.040 279 HG LEU 35 HG LEU 35 16.035 -12.862 6.642 280 HD11 LEU 35 1HD1 LEU 35 16.914 -14.070 4.103 281 HD12 LEU 35 2HD1 LEU 35 17.640 -14.138 5.708 282 HD13 LEU 35 3HD1 LEU 35 17.880 -12.717 4.692 283 HD21 LEU 35 3HD2 LEU 35 16.624 -11.162 4.460 284 HD22 LEU 35 1HD2 LEU 35 15.810 -10.761 5.972 285 HD23 LEU 35 2HD2 LEU 35 14.868 -11.287 4.577 286 H THR 36 H THR 36 12.370 -13.209 7.004 287 HA THR 36 HA THR 36 13.589 -12.826 9.660 288 HB THR 36 HB THR 36 12.786 -10.660 9.764 289 HG1 THR 36 HG1 THR 36 10.943 -11.273 7.674 290 HG21 THR 36 3HG2 THR 36 13.148 -11.061 6.792 291 HG22 THR 36 1HG2 THR 36 14.458 -10.868 7.956 292 HG23 THR 36 2HG2 THR 36 13.325 -9.545 7.676 293 H GLY 37 H GLY 37 10.543 -13.357 7.937 294 HA2 GLY 37 1HA GLY 37 8.493 -14.105 8.662 295 HA3 GLY 37 2HA GLY 37 9.437 -15.118 9.745 296 H VAL 38 H VAL 38 9.593 -11.648 9.957 297 HA VAL 38 HA VAL 38 8.043 -11.779 12.462 298 HB VAL 38 HB VAL 38 10.477 -11.353 12.786 299 HG11 VAL 38 1HG1 VAL 38 10.392 -9.851 10.586 300 HG12 VAL 38 2HG1 VAL 38 10.177 -8.580 11.791 301 HG13 VAL 38 3HG1 VAL 38 11.601 -9.618 11.847 302 HG21 VAL 38 3HG2 VAL 38 9.648 -8.840 13.784 303 HG22 VAL 38 1HG2 VAL 38 8.257 -9.922 13.853 304 HG23 VAL 38 2HG2 VAL 38 9.765 -10.373 14.647 305 H LEU 39 H LEU 39 8.451 -10.254 9.411 306 HA LEU 39 HA LEU 39 7.348 -7.755 9.750 307 HB2 LEU 39 1HB LEU 39 7.493 -9.699 7.536 308 HB3 LEU 39 2HB LEU 39 6.271 -8.439 7.377 309 HG LEU 39 HG LEU 39 8.003 -6.726 7.563 310 HD11 LEU 39 1HD1 LEU 39 9.770 -7.415 8.794 311 HD12 LEU 39 2HD1 LEU 39 10.411 -7.832 7.205 312 HD13 LEU 39 3HD1 LEU 39 9.672 -9.077 8.212 313 HD21 LEU 39 3HD2 LEU 39 8.398 -6.829 5.366 314 HD22 LEU 39 1HD2 LEU 39 7.483 -8.336 5.403 315 HD23 LEU 39 2HD2 LEU 39 9.244 -8.371 5.498 316 HA PRO 40 HA PRO 40 2.921 -9.612 9.175 317 HB2 PRO 40 1HB PRO 40 2.680 -12.311 9.329 318 HB3 PRO 40 2HB PRO 40 2.983 -11.459 7.811 319 HG2 PRO 40 1HG PRO 40 4.914 -12.881 9.603 320 HG3 PRO 40 2HG PRO 40 4.803 -12.907 7.833 321 HD2 PRO 40 1HD PRO 40 6.614 -11.390 9.157 322 HD3 PRO 40 2HD PRO 40 5.901 -10.893 7.609 323 H GLU 41 H GLU 41 5.235 -10.468 11.484 324 HA GLU 41 HA GLU 41 3.267 -11.310 13.471 325 HB2 GLU 41 1HB GLU 41 6.281 -11.134 13.588 326 HB3 GLU 41 2HB GLU 41 5.267 -11.666 14.922 327 HG2 GLU 41 1HG GLU 41 4.373 -13.409 13.242 328 HG3 GLU 41 2HG GLU 41 5.825 -13.024 12.321 329 H ARG 42 H ARG 42 6.024 -9.044 13.504 330 HA ARG 42 HA ARG 42 4.374 -6.897 14.481 331 HB2 ARG 42 1HB ARG 42 5.825 -6.619 16.560 332 HB3 ARG 42 2HB ARG 42 4.627 -7.906 16.595 333 HG2 ARG 42 1HG ARG 42 6.416 -9.514 15.982 334 HG3 ARG 42 2HG ARG 42 7.584 -8.198 16.126 335 HD2 ARG 42 1HD ARG 42 5.731 -9.021 18.351 336 HD3 ARG 42 2HD ARG 42 7.352 -9.683 18.149 337 HE ARG 42 HE ARG 42 7.629 -6.934 18.147 338 HH11 ARG 42 1HH1 ARG 42 6.479 -9.388 20.334 339 HH12 ARG 42 2HH1 ARG 42 6.917 -8.506 21.759 340 HH21 ARG 42 1HH2 ARG 42 8.209 -5.764 20.017 341 HH22 ARG 42 2HH2 ARG 42 7.900 -6.445 21.578 342 H GLN 43 H GLN 43 5.093 -5.353 13.162 343 HA GLN 43 HA GLN 43 7.996 -4.884 13.042 344 HB2 GLN 43 1HB GLN 43 7.948 -4.476 10.736 345 HB3 GLN 43 2HB GLN 43 6.941 -5.904 10.933 346 HG2 GLN 43 1HG GLN 43 5.947 -3.079 10.623 347 HG3 GLN 43 2HG GLN 43 5.965 -4.315 9.367 348 HE21 GLN 43 2HE2 GLN 43 4.320 -5.718 9.239 349 HE22 GLN 43 1HE2 GLN 43 2.998 -5.790 10.349 350 H LYS 44 H LYS 44 8.536 -2.632 12.355 351 HA LYS 44 HA LYS 44 6.471 -0.678 13.074 352 HB2 LYS 44 1HB LYS 44 9.118 -1.085 14.407 353 HB3 LYS 44 2HB LYS 44 8.466 0.543 14.280 354 HG2 LYS 44 1HG LYS 44 6.628 -1.525 15.306 355 HG3 LYS 44 2HG LYS 44 7.983 -1.083 16.347 356 HD2 LYS 44 1HD LYS 44 6.118 0.317 16.904 357 HD3 LYS 44 2HD LYS 44 7.324 1.306 16.077 358 HE2 LYS 44 1HE LYS 44 5.110 1.834 15.251 359 HE3 LYS 44 2HE LYS 44 6.057 1.060 13.982 360 HZ1 LYS 44 3HZ LYS 44 3.603 0.323 14.532 361 HZ2 LYS 44 1HZ LYS 44 4.394 -0.656 15.663 362 HZ3 LYS 44 2HZ LYS 44 4.769 -0.790 14.019 363 H LEU 45 H LEU 45 7.341 -1.313 10.502 364 HA LEU 45 HA LEU 45 9.418 0.033 9.370 365 HB2 LEU 45 1HB LEU 45 6.645 -0.541 8.435 366 HB3 LEU 45 2HB LEU 45 7.693 0.470 7.442 367 HG LEU 45 HG LEU 45 7.589 -1.989 6.849 368 HD11 LEU 45 1HD1 LEU 45 9.403 -0.333 6.218 369 HD12 LEU 45 2HD1 LEU 45 9.840 -2.041 6.168 370 HD13 LEU 45 3HD1 LEU 45 10.358 -1.038 7.523 371 HD21 LEU 45 3HD2 LEU 45 9.387 -2.295 9.244 372 HD22 LEU 45 1HD2 LEU 45 8.805 -3.556 8.156 373 HD23 LEU 45 2HD2 LEU 45 7.681 -2.741 9.244 374 H LEU 46 H LEU 46 9.692 2.092 8.395 375 HA LEU 46 HA LEU 46 8.513 4.233 9.941 376 HB2 LEU 46 1HB LEU 46 10.334 5.414 9.397 377 HB3 LEU 46 2HB LEU 46 10.977 3.855 8.886 378 HG LEU 46 HG LEU 46 9.655 5.859 7.059 379 HD11 LEU 46 1HD1 LEU 46 11.619 6.856 6.751 380 HD12 LEU 46 2HD1 LEU 46 12.468 5.316 6.626 381 HD13 LEU 46 3HD1 LEU 46 12.164 6.029 8.210 382 HD21 LEU 46 3HD2 LEU 46 10.485 3.082 6.762 383 HD22 LEU 46 1HD2 LEU 46 11.203 4.155 5.560 384 HD23 LEU 46 2HD2 LEU 46 9.450 4.074 5.733 385 H GLY 47 H GLY 47 7.822 2.653 7.038 386 HA2 GLY 47 1HA GLY 47 5.628 4.366 6.463 387 HA3 GLY 47 2HA GLY 47 6.942 4.653 5.332 388 H LEU 48 H LEU 48 7.930 2.086 5.010 389 HA LEU 48 HA LEU 48 6.158 1.042 3.087 390 HB2 LEU 48 1HB LEU 48 8.458 0.651 2.773 391 HB3 LEU 48 2HB LEU 48 8.642 -0.030 4.388 392 HG LEU 48 HG LEU 48 7.266 -1.979 3.632 393 HD11 LEU 48 1HD1 LEU 48 7.718 -1.771 0.850 394 HD12 LEU 48 2HD1 LEU 48 6.884 -0.305 1.364 395 HD13 LEU 48 3HD1 LEU 48 6.180 -1.886 1.705 396 HD21 LEU 48 3HD2 LEU 48 9.871 -1.687 3.557 397 HD22 LEU 48 1HD2 LEU 48 9.617 -1.763 1.814 398 HD23 LEU 48 2HD2 LEU 48 9.102 -3.103 2.839 399 H LYS 49 H LYS 49 5.031 -0.951 3.047 400 HA LYS 49 HA LYS 49 3.580 -2.498 3.866 401 HB2 LYS 49 1HB LYS 49 5.855 -2.609 5.796 402 HB3 LYS 49 2HB LYS 49 4.381 -3.483 6.190 403 HG2 LYS 49 1HG LYS 49 5.485 -3.880 3.476 404 HG3 LYS 49 2HG LYS 49 6.389 -4.572 4.825 405 HD2 LYS 49 1HD LYS 49 4.093 -5.506 5.570 406 HD3 LYS 49 2HD LYS 49 3.599 -5.173 3.909 407 HE2 LYS 49 1HE LYS 49 6.033 -6.800 4.613 408 HE3 LYS 49 2HE LYS 49 4.438 -7.510 4.368 409 HZ1 LYS 49 3HZ LYS 49 4.788 -5.947 2.174 410 HZ2 LYS 49 1HZ LYS 49 5.015 -7.622 2.236 411 HZ3 LYS 49 2HZ LYS 49 6.335 -6.582 2.432 412 H VAL 50 H VAL 50 2.157 -0.555 4.097 413 HA VAL 50 HA VAL 50 1.742 0.544 6.711 414 HB VAL 50 HB VAL 50 1.208 1.912 4.804 415 HG11 VAL 50 1HG1 VAL 50 0.162 -0.474 3.740 416 HG12 VAL 50 2HG1 VAL 50 -1.181 0.666 3.843 417 HG13 VAL 50 3HG1 VAL 50 0.281 1.102 2.957 418 HG21 VAL 50 3HG2 VAL 50 -1.503 1.248 5.856 419 HG22 VAL 50 1HG2 VAL 50 -0.266 1.839 6.966 420 HG23 VAL 50 2HG2 VAL 50 -0.756 2.822 5.586 421 H LYS 51 H LYS 51 0.395 -0.107 8.277 422 HA LYS 51 HA LYS 51 -0.767 -2.687 8.189 423 HB2 LYS 51 1HB LYS 51 -1.366 -2.344 10.417 424 HB3 LYS 51 2HB LYS 51 0.057 -1.329 10.227 425 HG2 LYS 51 1HG LYS 51 -2.790 -0.358 10.083 426 HG3 LYS 51 2HG LYS 51 -1.738 -0.231 11.495 427 HD2 LYS 51 1HD LYS 51 -0.151 1.101 10.135 428 HD3 LYS 51 2HD LYS 51 -1.298 1.045 8.795 429 HE2 LYS 51 1HE LYS 51 -2.974 2.026 10.502 430 HE3 LYS 51 2HE LYS 51 -1.537 2.444 11.435 431 HZ1 LYS 51 3HZ LYS 51 -2.588 4.041 9.605 432 HZ2 LYS 51 1HZ LYS 51 -1.511 3.184 8.622 433 HZ3 LYS 51 2HZ LYS 51 -0.937 4.029 9.969 434 H GLY 52 H GLY 52 -2.854 -3.359 7.919 435 HA2 GLY 52 1HA GLY 52 -5.157 -3.171 7.594 436 HA3 GLY 52 2HA GLY 52 -5.000 -1.422 7.663 437 H LYS 53 H LYS 53 -2.668 -2.136 5.603 438 HA LYS 53 HA LYS 53 -4.229 -2.714 3.239 439 HB2 LYS 53 1HB LYS 53 -3.067 0.016 3.763 440 HB3 LYS 53 2HB LYS 53 -3.380 -0.564 2.132 441 HG2 LYS 53 1HG LYS 53 -5.771 -1.019 3.022 442 HG3 LYS 53 2HG LYS 53 -5.317 0.107 4.303 443 HD2 LYS 53 1HD LYS 53 -4.905 0.820 1.422 444 HD3 LYS 53 2HD LYS 53 -6.485 1.022 2.183 445 HE2 LYS 53 1HE LYS 53 -3.982 2.150 3.400 446 HE3 LYS 53 2HE LYS 53 -4.894 3.029 2.175 447 HZ1 LYS 53 3HZ LYS 53 -5.469 2.664 4.952 448 HZ2 LYS 53 1HZ LYS 53 -6.783 2.242 3.974 449 HZ3 LYS 53 2HZ LYS 53 -6.106 3.788 3.860 450 HA PRO 54 HA PRO 54 0.248 -4.034 3.221 451 HB2 PRO 54 1HB PRO 54 -0.263 -6.650 2.709 452 HB3 PRO 54 2HB PRO 54 -0.203 -5.985 4.346 453 HG2 PRO 54 1HG PRO 54 -2.582 -6.579 2.628 454 HG3 PRO 54 2HG PRO 54 -2.343 -6.897 4.356 455 HD2 PRO 54 1HD PRO 54 -3.774 -4.785 3.448 456 HD3 PRO 54 2HD PRO 54 -2.833 -4.725 4.952 457 H ALA 55 H ALA 55 1.408 -4.032 1.383 458 HA ALA 55 HA ALA 55 0.340 -3.483 -1.096 459 HB1 ALA 55 1HB ALA 55 2.472 -3.427 -1.835 460 HB2 ALA 55 2HB ALA 55 2.839 -3.546 -0.113 461 HB3 ALA 55 3HB ALA 55 2.875 -4.990 -1.124 462 H GLU 56 H GLU 56 -0.252 -4.649 -2.881 463 HA GLU 56 HA GLU 56 -0.733 -7.503 -2.428 464 HB2 GLU 56 1HB GLU 56 -2.469 -5.650 -3.260 465 HB3 GLU 56 2HB GLU 56 -1.811 -6.110 -4.824 466 HG2 GLU 56 1HG GLU 56 -3.351 -7.710 -4.816 467 HG3 GLU 56 2HG GLU 56 -2.304 -8.536 -3.664 468 H ASN 57 H ASN 57 -0.451 -8.986 -4.268 469 HA ASN 57 HA ASN 57 2.159 -8.940 -5.259 470 HB2 ASN 57 1HB ASN 57 1.663 -10.959 -6.296 471 HB3 ASN 57 2HB ASN 57 0.450 -10.904 -5.021 472 HD21 ASN 57 2HD2 ASN 57 0.866 -11.705 -8.106 473 HD22 ASN 57 1HD2 ASN 57 -0.714 -11.396 -8.735 474 H ASP 58 H ASP 58 -0.690 -7.425 -6.421 475 HA ASP 58 HA ASP 58 -0.278 -7.256 -9.148 476 HB2 ASP 58 1HB ASP 58 -1.500 -5.354 -7.168 477 HB3 ASP 58 2HB ASP 58 -1.390 -4.930 -8.874 478 H VAL 59 H VAL 59 1.432 -5.687 -6.565 479 HA VAL 59 HA VAL 59 2.617 -3.586 -8.024 480 HB VAL 59 HB VAL 59 3.677 -5.041 -5.598 481 HG11 VAL 59 1HG1 VAL 59 4.893 -2.839 -5.254 482 HG12 VAL 59 2HG1 VAL 59 5.504 -3.885 -6.537 483 HG13 VAL 59 3HG1 VAL 59 4.511 -2.483 -6.938 484 HG21 VAL 59 3HG2 VAL 59 2.257 -2.393 -5.658 485 HG22 VAL 59 1HG2 VAL 59 1.397 -3.920 -5.457 486 HG23 VAL 59 2HG2 VAL 59 2.602 -3.423 -4.269 487 H LYS 60 H LYS 60 4.516 -3.429 -9.147 488 HA LYS 60 HA LYS 60 6.520 -5.408 -9.240 489 HB2 LYS 60 1HB LYS 60 6.045 -6.009 -11.721 490 HB3 LYS 60 2HB LYS 60 5.172 -6.860 -10.454 491 HG2 LYS 60 1HG LYS 60 3.199 -6.091 -11.146 492 HG3 LYS 60 2HG LYS 60 3.810 -4.448 -11.351 493 HD2 LYS 60 1HD LYS 60 3.456 -4.886 -13.539 494 HD3 LYS 60 2HD LYS 60 5.034 -5.667 -13.419 495 HE2 LYS 60 1HE LYS 60 3.477 -7.138 -14.538 496 HE3 LYS 60 2HE LYS 60 3.908 -7.812 -12.967 497 HZ1 LYS 60 3HZ LYS 60 1.494 -7.907 -13.543 498 HZ2 LYS 60 1HZ LYS 60 1.450 -6.219 -13.428 499 HZ3 LYS 60 2HZ LYS 60 1.837 -7.150 -12.070 500 H LEU 61 H LEU 61 7.876 -5.068 -11.394 501 HA LEU 61 HA LEU 61 8.853 -2.462 -11.338 502 HB2 LEU 61 1HB LEU 61 10.180 -4.324 -12.122 503 HB3 LEU 61 2HB LEU 61 9.094 -4.559 -13.490 504 HG LEU 61 HG LEU 61 10.476 -1.937 -13.233 505 HD11 LEU 61 1HD1 LEU 61 11.827 -4.429 -14.258 506 HD12 LEU 61 2HD1 LEU 61 12.245 -3.571 -12.775 507 HD13 LEU 61 3HD1 LEU 61 12.462 -2.785 -14.339 508 HD21 LEU 61 3HD2 LEU 61 9.927 -1.723 -15.397 509 HD22 LEU 61 1HD2 LEU 61 8.793 -3.034 -15.067 510 HD23 LEU 61 2HD2 LEU 61 10.368 -3.389 -15.777 511 H GLY 62 H GLY 62 6.285 -3.874 -13.217 512 HA2 GLY 62 1HA GLY 62 6.131 -1.563 -14.990 513 HA3 GLY 62 2HA GLY 62 5.140 -3.011 -15.079 514 H ALA 63 H ALA 63 5.529 -1.459 -12.017 515 HA ALA 63 HA ALA 63 2.906 -0.159 -12.300 516 HB1 ALA 63 1HB ALA 63 3.196 -2.508 -10.965 517 HB2 ALA 63 2HB ALA 63 3.414 -1.337 -9.664 518 HB3 ALA 63 3HB ALA 63 1.942 -1.313 -10.635 519 H LEU 64 H LEU 64 5.907 -0.437 -10.448 520 HA LEU 64 HA LEU 64 5.757 2.434 -9.892 521 HB2 LEU 64 1HB LEU 64 6.923 1.480 -7.611 522 HB3 LEU 64 2HB LEU 64 5.250 2.013 -7.765 523 HG LEU 64 HG LEU 64 4.585 -0.336 -8.184 524 HD11 LEU 64 1HD1 LEU 64 7.055 -0.866 -8.907 525 HD12 LEU 64 2HD1 LEU 64 6.039 -2.102 -8.166 526 HD13 LEU 64 3HD1 LEU 64 7.240 -1.249 -7.195 527 HD21 LEU 64 3HD2 LEU 64 5.756 -0.908 -5.696 528 HD22 LEU 64 1HD2 LEU 64 4.145 -0.262 -6.011 529 HD23 LEU 64 2HD2 LEU 64 5.496 0.837 -5.733 530 H LYS 65 H LYS 65 7.323 2.510 -11.614 531 HA LYS 65 HA LYS 65 9.864 1.211 -11.310 532 HB2 LYS 65 1HB LYS 65 9.117 3.493 -13.146 533 HB3 LYS 65 2HB LYS 65 10.518 2.440 -13.297 534 HG2 LYS 65 1HG LYS 65 9.188 0.589 -13.898 535 HG3 LYS 65 2HG LYS 65 7.702 1.404 -13.406 536 HD2 LYS 65 1HD LYS 65 8.104 3.078 -15.209 537 HD3 LYS 65 2HD LYS 65 9.473 2.102 -15.746 538 HE2 LYS 65 1HE LYS 65 8.043 0.261 -16.268 539 HE3 LYS 65 2HE LYS 65 6.660 1.049 -15.510 540 HZ1 LYS 65 3HZ LYS 65 6.800 1.139 -18.021 541 HZ2 LYS 65 1HZ LYS 65 8.066 2.244 -17.822 542 HZ3 LYS 65 2HZ LYS 65 6.524 2.608 -17.229 543 H LEU 66 H LEU 66 9.538 2.434 -8.972 544 HA LEU 66 HA LEU 66 10.657 5.082 -8.936 545 HB2 LEU 66 1HB LEU 66 9.361 3.321 -7.093 546 HB3 LEU 66 2HB LEU 66 10.870 3.893 -6.385 547 HG LEU 66 HG LEU 66 9.842 6.228 -7.263 548 HD11 LEU 66 1HD1 LEU 66 7.540 6.354 -7.114 549 HD12 LEU 66 2HD1 LEU 66 7.408 4.837 -6.225 550 HD13 LEU 66 3HD1 LEU 66 7.779 4.819 -7.949 551 HD21 LEU 66 3HD2 LEU 66 8.826 5.248 -4.651 552 HD22 LEU 66 1HD2 LEU 66 9.657 6.750 -5.054 553 HD23 LEU 66 2HD2 LEU 66 10.571 5.249 -4.910 554 H LYS 67 H LYS 67 12.491 5.238 -7.048 555 HA LYS 67 HA LYS 67 14.661 3.440 -7.910 556 HB2 LYS 67 1HB LYS 67 16.220 5.289 -7.698 557 HB3 LYS 67 2HB LYS 67 14.926 5.725 -8.807 558 HG2 LYS 67 1HG LYS 67 14.622 6.475 -5.952 559 HG3 LYS 67 2HG LYS 67 15.778 7.376 -6.935 560 HD2 LYS 67 1HD LYS 67 13.074 6.909 -8.069 561 HD3 LYS 67 2HD LYS 67 13.218 8.076 -6.752 562 HE2 LYS 67 1HE LYS 67 14.792 8.116 -9.327 563 HE3 LYS 67 2HE LYS 67 13.413 9.147 -8.950 564 HZ1 LYS 67 3HZ LYS 67 14.825 9.825 -6.927 565 HZ2 LYS 67 1HZ LYS 67 15.213 10.473 -8.441 566 HZ3 LYS 67 2HZ LYS 67 16.128 9.200 -7.807 567 HA PRO 68 HA PRO 68 15.331 2.417 -3.691 568 HB2 PRO 68 1HB PRO 68 18.004 1.943 -3.705 569 HB3 PRO 68 2HB PRO 68 16.831 0.847 -4.442 570 HG2 PRO 68 1HG PRO 68 18.557 2.922 -5.736 571 HG3 PRO 68 2HG PRO 68 18.196 1.272 -6.276 572 HD2 PRO 68 1HD PRO 68 16.958 3.447 -7.310 573 HD3 PRO 68 2HD PRO 68 16.152 1.872 -7.156 574 H ASN 69 H ASN 69 16.773 5.162 -5.125 575 HA ASN 69 HA ASN 69 18.454 6.163 -3.181 576 HB2 ASN 69 1HB ASN 69 17.760 7.124 -5.509 577 HB3 ASN 69 2HB ASN 69 16.533 7.989 -4.589 578 HD21 ASN 69 2HD2 ASN 69 19.964 7.530 -5.063 579 HD22 ASN 69 1HD2 ASN 69 20.459 9.015 -4.331 580 H THR 70 H THR 70 14.974 5.974 -3.192 581 HA THR 70 HA THR 70 14.283 7.843 -1.276 582 HB THR 70 HB THR 70 12.550 6.669 -2.441 583 HG1 THR 70 HG1 THR 70 11.788 7.273 -0.468 584 HG21 THR 70 3HG2 THR 70 13.384 4.154 -0.996 585 HG22 THR 70 1HG2 THR 70 13.806 4.520 -2.668 586 HG23 THR 70 2HG2 THR 70 12.115 4.318 -2.210 587 H LYS 71 H LYS 71 15.456 4.533 -0.818 588 HA LYS 71 HA LYS 71 16.363 3.473 0.978 589 HB2 LYS 71 1HB LYS 71 16.926 6.324 1.473 590 HB3 LYS 71 2HB LYS 71 16.975 5.301 2.903 591 HG2 LYS 71 1HG LYS 71 18.670 3.924 1.955 592 HG3 LYS 71 2HG LYS 71 18.503 4.706 0.381 593 HD2 LYS 71 1HD LYS 71 19.061 6.865 1.824 594 HD3 LYS 71 2HD LYS 71 19.842 5.664 2.856 595 HE2 LYS 71 1HE LYS 71 20.376 5.486 -0.050 596 HE3 LYS 71 2HE LYS 71 21.079 6.859 0.803 597 HZ1 LYS 71 3HZ LYS 71 21.482 4.495 2.292 598 HZ2 LYS 71 1HZ LYS 71 22.634 5.546 1.637 599 HZ3 LYS 71 2HZ LYS 71 22.037 4.262 0.712 600 H ILE 72 H ILE 72 15.203 2.268 2.316 601 HA ILE 72 HA ILE 72 13.027 3.547 3.833 602 HB ILE 72 HB ILE 72 12.287 1.836 2.217 603 HG12 ILE 72 1HG1 ILE 72 11.326 2.243 4.656 604 HG13 ILE 72 2HG1 ILE 72 10.680 0.976 3.618 605 HG21 ILE 72 1HG2 ILE 72 12.803 -0.571 2.824 606 HG22 ILE 72 2HG2 ILE 72 14.112 0.352 2.088 607 HG23 ILE 72 3HG2 ILE 72 14.105 0.067 3.828 608 HD11 ILE 72 3HD1 ILE 72 12.927 0.295 5.433 609 HD12 ILE 72 1HD1 ILE 72 11.319 0.517 6.123 610 HD13 ILE 72 2HD1 ILE 72 11.581 -0.697 4.870 611 H MET 73 H MET 73 12.745 3.073 6.009 612 HA MET 73 HA MET 73 15.077 1.837 7.311 613 HB2 MET 73 1HB MET 73 13.148 3.934 8.315 614 HB3 MET 73 2HB MET 73 14.373 3.168 9.318 615 HG2 MET 73 1HG MET 73 15.100 4.587 6.784 616 HG3 MET 73 2HG MET 73 14.886 5.458 8.301 617 HE1 MET 73 3HE MET 73 18.757 4.857 7.187 618 HE2 MET 73 1HE MET 73 17.738 3.853 6.154 619 HE3 MET 73 2HE MET 73 17.273 5.519 6.500 620 H MET 74 H MET 74 14.755 -0.087 8.196 621 HA MET 74 HA MET 74 12.014 -0.860 8.931 622 HB2 MET 74 1HB MET 74 14.150 -2.225 7.554 623 HB3 MET 74 2HB MET 74 13.665 -3.134 8.979 624 HG2 MET 74 1HG MET 74 11.261 -2.755 8.092 625 HG3 MET 74 2HG MET 74 12.069 -2.412 6.564 626 HE1 MET 74 3HE MET 74 10.015 -4.640 6.443 627 HE2 MET 74 1HE MET 74 11.140 -4.304 5.126 628 HE3 MET 74 2HE MET 74 10.911 -5.959 5.690 629 H MET 75 H MET 75 11.521 -1.115 11.008 630 HA MET 75 HA MET 75 13.643 -1.771 12.918 631 HB2 MET 75 1HB MET 75 12.578 -0.097 14.513 632 HB3 MET 75 2HB MET 75 13.533 0.570 13.196 633 HG2 MET 75 1HG MET 75 11.393 0.897 11.936 634 HG3 MET 75 2HG MET 75 10.539 0.449 13.411 635 HE1 MET 75 3HE MET 75 10.342 1.744 15.458 636 HE2 MET 75 1HE MET 75 12.059 1.915 15.827 637 HE3 MET 75 2HE MET 75 11.019 3.339 15.791 638 H GLY 76 H GLY 76 12.781 -2.506 15.024 639 HA2 GLY 76 1HA GLY 76 11.406 -3.850 16.280 640 HA3 GLY 76 2HA GLY 76 10.059 -3.121 15.419 641 H THR 77 H THR 77 12.354 -4.574 13.382 642 HA THR 77 HA THR 77 10.518 -6.815 12.920 643 HB THR 77 HB THR 77 11.686 -7.076 10.748 644 HG1 THR 77 HG1 THR 77 12.920 -4.577 11.148 645 HG21 THR 77 3HG2 THR 77 10.439 -4.438 11.460 646 HG22 THR 77 1HG2 THR 77 9.726 -5.800 10.598 647 HG23 THR 77 2HG2 THR 77 10.946 -4.798 9.810 648 H ARG 78 H ARG 78 11.689 -7.538 15.052 649 HA ARG 78 HA ARG 78 14.289 -8.461 15.112 650 HB2 ARG 78 1HB ARG 78 12.704 -8.428 17.039 651 HB3 ARG 78 2HB ARG 78 11.905 -9.839 16.358 652 HG2 ARG 78 1HG ARG 78 13.431 -10.471 18.136 653 HG3 ARG 78 2HG ARG 78 13.968 -11.123 16.586 654 HD2 ARG 78 1HD ARG 78 15.742 -9.633 16.431 655 HD3 ARG 78 2HD ARG 78 15.014 -8.498 17.567 656 HE ARG 78 HE ARG 78 15.597 -10.957 18.846 657 HH11 ARG 78 1HH1 ARG 78 17.107 -8.073 17.612 658 HH12 ARG 78 2HH1 ARG 78 18.447 -8.149 18.708 659 HH21 ARG 78 1HH2 ARG 78 17.356 -11.069 20.293 660 HH22 ARG 78 2HH2 ARG 78 18.589 -9.854 20.231 661 H GLU 79 H GLU 79 15.302 -9.750 13.732 662 HA GLU 79 HA GLU 79 13.933 -11.524 11.972 663 HB2 GLU 79 1HB GLU 79 16.018 -10.421 11.318 664 HB3 GLU 79 2HB GLU 79 16.882 -11.274 12.589 665 HG2 GLU 79 1HG GLU 79 16.836 -13.276 11.472 666 HG3 GLU 79 2HG GLU 79 15.405 -12.845 10.537 667 H GLU 80 H GLU 80 15.264 -11.824 15.129 668 HA GLU 80 HA GLU 80 15.486 -14.712 15.015 669 HB2 GLU 80 1HB GLU 80 15.924 -12.668 17.181 670 HB3 GLU 80 2HB GLU 80 15.927 -14.392 17.527 671 HG2 GLU 80 1HG GLU 80 17.708 -14.601 15.736 672 HG3 GLU 80 2HG GLU 80 17.819 -12.843 15.791 673 H SER 81 H SER 81 13.706 -15.905 15.076 674 HA SER 81 HA SER 81 11.311 -14.911 16.400 675 HB2 SER 81 1HB SER 81 11.809 -17.367 14.703 676 HB3 SER 81 2HB SER 81 10.247 -16.952 15.408 677 HG SER 81 HG SER 81 11.396 -16.013 13.165 Start of MODEL 4 1 H1 MET 1 H MET 1 1.136 0.097 -1.410 2 HA MET 1 HA MET 1 1.536 -2.052 -3.311 3 HB2 MET 1 1HB MET 1 1.888 0.849 -4.069 4 HB3 MET 1 2HB MET 1 2.614 -0.478 -4.966 5 HG2 MET 1 1HG MET 1 0.716 -0.130 -6.180 6 HG3 MET 1 2HG MET 1 0.161 -1.368 -5.056 7 HE1 MET 1 3HE MET 1 -2.197 -0.305 -2.964 8 HE2 MET 1 1HE MET 1 -2.957 -0.274 -4.555 9 HE3 MET 1 2HE MET 1 -1.672 -1.434 -4.214 10 H ALA 2 H ALA 2 3.764 -2.522 -3.695 11 HA ALA 2 HA ALA 2 5.467 -1.664 -1.484 12 HB1 ALA 2 1HB ALA 2 5.053 -4.116 -2.738 13 HB2 ALA 2 2HB ALA 2 6.670 -3.614 -3.237 14 HB3 ALA 2 3HB ALA 2 6.273 -3.735 -1.522 15 H LEU 3 H LEU 3 6.974 -0.160 -1.736 16 HA LEU 3 HA LEU 3 7.718 0.672 -4.437 17 HB2 LEU 3 1HB LEU 3 8.559 2.017 -1.892 18 HB3 LEU 3 2HB LEU 3 8.430 2.704 -3.510 19 HG LEU 3 HG LEU 3 5.867 2.159 -3.154 20 HD11 LEU 3 1HD1 LEU 3 5.492 2.865 -0.645 21 HD12 LEU 3 2HD1 LEU 3 7.055 2.079 -0.429 22 HD13 LEU 3 3HD1 LEU 3 5.699 1.174 -1.100 23 HD21 LEU 3 3HD2 LEU 3 6.851 4.530 -1.646 24 HD22 LEU 3 1HD2 LEU 3 5.559 4.405 -2.840 25 HD23 LEU 3 2HD2 LEU 3 7.245 4.393 -3.360 26 HA PRO 4 HA PRO 4 11.675 -1.245 -4.279 27 HB2 PRO 4 1HB PRO 4 13.014 0.361 -6.011 28 HB3 PRO 4 2HB PRO 4 11.807 -0.820 -6.533 29 HG2 PRO 4 1HG PRO 4 11.518 2.132 -6.127 30 HG3 PRO 4 2HG PRO 4 10.900 1.118 -7.444 31 HD2 PRO 4 1HD PRO 4 9.345 1.940 -5.385 32 HD3 PRO 4 2HD PRO 4 9.102 0.383 -6.203 33 H MET 5 H MET 5 12.315 -0.817 -2.141 34 HA MET 5 HA MET 5 14.262 1.357 -1.905 35 HB2 MET 5 1HB MET 5 12.553 0.807 0.471 36 HB3 MET 5 2HB MET 5 13.362 2.293 -0.009 37 HG2 MET 5 1HG MET 5 11.683 2.528 -1.837 38 HG3 MET 5 2HG MET 5 10.829 1.146 -1.152 39 HE1 MET 5 3HE MET 5 10.010 3.888 -1.938 40 HE2 MET 5 1HE MET 5 8.660 3.970 -0.805 41 HE3 MET 5 2HE MET 5 9.955 5.165 -0.722 42 H ILE 6 H ILE 6 15.604 1.077 0.134 43 HA ILE 6 HA ILE 6 16.121 -1.795 0.541 44 HB ILE 6 HB ILE 6 18.077 0.497 0.757 45 HG12 ILE 6 1HG1 ILE 6 17.926 -1.696 -1.320 46 HG13 ILE 6 2HG1 ILE 6 17.326 -0.060 -1.568 47 HG21 ILE 6 1HG2 ILE 6 18.555 -1.359 2.291 48 HG22 ILE 6 2HG2 ILE 6 18.542 -2.477 0.928 49 HG23 ILE 6 3HG2 ILE 6 19.774 -1.220 1.025 50 HD11 ILE 6 3HD1 ILE 6 20.150 -0.996 -1.255 51 HD12 ILE 6 1HD1 ILE 6 19.424 -0.070 -2.568 52 HD13 ILE 6 2HD1 ILE 6 19.702 0.691 -1.001 53 H VAL 7 H VAL 7 16.300 -2.597 2.577 54 HA VAL 7 HA VAL 7 15.584 -0.774 4.762 55 HB VAL 7 HB VAL 7 15.127 -2.915 6.028 56 HG11 VAL 7 1HG1 VAL 7 13.573 -2.262 3.532 57 HG12 VAL 7 2HG1 VAL 7 12.994 -3.360 4.786 58 HG13 VAL 7 3HG1 VAL 7 13.291 -1.663 5.166 59 HG21 VAL 7 3HG2 VAL 7 14.919 -4.973 4.829 60 HG22 VAL 7 1HG2 VAL 7 15.278 -4.178 3.296 61 HG23 VAL 7 2HG2 VAL 7 16.535 -4.335 4.524 62 H LYS 8 H LYS 8 16.921 -0.371 6.421 63 HA LYS 8 HA LYS 8 19.307 -2.046 6.762 64 HB2 LYS 8 1HB LYS 8 19.447 0.960 6.911 65 HB3 LYS 8 2HB LYS 8 20.778 -0.189 6.862 66 HG2 LYS 8 1HG LYS 8 19.983 -0.801 4.538 67 HG3 LYS 8 2HG LYS 8 18.943 0.623 4.629 68 HD2 LYS 8 1HD LYS 8 21.926 0.699 5.057 69 HD3 LYS 8 2HD LYS 8 21.154 0.991 3.497 70 HE2 LYS 8 1HE LYS 8 20.654 2.561 6.025 71 HE3 LYS 8 2HE LYS 8 21.675 3.079 4.684 72 HZ1 LYS 8 3HZ LYS 8 19.740 4.103 4.127 73 HZ2 LYS 8 1HZ LYS 8 18.759 2.930 4.851 74 HZ3 LYS 8 2HZ LYS 8 19.473 2.625 3.349 75 H TRP 9 H TRP 9 18.013 -2.877 8.543 76 HA TRP 9 HA TRP 9 17.681 -1.039 10.799 77 HB2 TRP 9 1HB TRP 9 15.729 -2.365 10.328 78 HB3 TRP 9 2HB TRP 9 16.677 -3.849 10.317 79 HD1 TRP 9 HD1 TRP 9 15.871 -1.041 12.887 80 HE1 TRP 9 HE1 TRP 9 15.550 -2.152 15.187 81 HE3 TRP 9 HE3 TRP 9 16.838 -5.890 11.587 82 HZ2 TRP 9 HZ2 TRP 9 15.690 -4.742 16.302 83 HZ3 TRP 9 HZ3 TRP 9 16.724 -7.623 13.330 84 HH2 TRP 9 HH2 TRP 9 16.162 -7.059 15.638 85 H GLY 10 H GLY 10 18.581 -1.454 12.840 86 HA2 GLY 10 1HA GLY 10 21.212 -2.317 12.912 87 HA3 GLY 10 2HA GLY 10 20.177 -2.175 14.325 88 H GLY 11 H GLY 11 21.804 -4.302 12.224 89 HA2 GLY 11 1HA GLY 11 22.183 -6.520 13.354 90 HA3 GLY 11 2HA GLY 11 20.431 -6.610 13.454 91 H GLN 12 H GLN 12 19.836 -5.585 10.880 92 HA GLN 12 HA GLN 12 21.176 -7.358 8.999 93 HB2 GLN 12 1HB GLN 12 19.003 -8.284 8.209 94 HB3 GLN 12 2HB GLN 12 19.440 -8.799 9.832 95 HG2 GLN 12 1HG GLN 12 17.718 -7.704 10.798 96 HG3 GLN 12 2HG GLN 12 17.751 -6.389 9.624 97 HE21 GLN 12 2HE2 GLN 12 17.052 -7.040 7.383 98 HE22 GLN 12 1HE2 GLN 12 15.679 -8.082 7.269 99 H GLU 13 H GLU 13 21.185 -6.596 6.939 100 HA GLU 13 HA GLU 13 19.584 -4.181 6.399 101 HB2 GLU 13 1HB GLU 13 21.881 -3.509 6.724 102 HB3 GLU 13 2HB GLU 13 22.445 -4.751 5.615 103 HG2 GLU 13 1HG GLU 13 21.817 -3.582 3.760 104 HG3 GLU 13 2HG GLU 13 20.527 -2.725 4.600 105 H TYR 14 H TYR 14 17.990 -5.351 5.312 106 HA TYR 14 HA TYR 14 18.783 -6.923 2.983 107 HB2 TYR 14 1HB TYR 14 16.788 -7.277 4.832 108 HB3 TYR 14 2HB TYR 14 15.911 -6.565 3.481 109 HD1 TYR 14 HD1 TYR 14 18.576 -9.151 3.967 110 HD2 TYR 14 HD2 TYR 14 14.941 -8.068 2.039 111 HE1 TYR 14 HE1 TYR 14 18.518 -11.345 2.857 112 HE2 TYR 14 HE2 TYR 14 14.873 -10.260 0.924 113 HH TYR 14 HH TYR 14 17.533 -12.554 1.217 114 H SER 15 H SER 15 16.751 -6.592 1.247 115 HA SER 15 HA SER 15 16.570 -3.728 0.658 116 HB2 SER 15 1HB SER 15 17.140 -4.240 -1.749 117 HB3 SER 15 2HB SER 15 18.488 -4.386 -0.621 118 HG SER 15 HG SER 15 18.594 -6.224 -1.758 119 H VAL 16 H VAL 16 14.430 -3.443 0.716 120 HA VAL 16 HA VAL 16 12.619 -5.477 -0.279 121 HB VAL 16 HB VAL 16 10.833 -3.885 0.431 122 HG11 VAL 16 1HG1 VAL 16 11.761 -5.641 1.920 123 HG12 VAL 16 2HG1 VAL 16 12.872 -4.439 2.581 124 HG13 VAL 16 3HG1 VAL 16 11.132 -4.241 2.788 125 HG21 VAL 16 3HG2 VAL 16 12.138 -1.817 0.102 126 HG22 VAL 16 1HG2 VAL 16 11.420 -1.914 1.710 127 HG23 VAL 16 2HG2 VAL 16 13.137 -2.249 1.489 128 H THR 17 H THR 17 14.072 -4.758 -2.386 129 HA THR 17 HA THR 17 13.043 -2.541 -3.850 130 HB THR 17 HB THR 17 15.254 -3.340 -4.376 131 HG1 THR 17 HG1 THR 17 15.002 -3.093 -6.495 132 HG21 THR 17 3HG2 THR 17 14.627 -5.773 -5.776 133 HG22 THR 17 1HG2 THR 17 14.110 -5.889 -4.095 134 HG23 THR 17 2HG2 THR 17 15.788 -5.502 -4.477 135 H THR 18 H THR 18 11.825 -2.646 -5.834 136 HA THR 18 HA THR 18 9.544 -4.370 -5.607 137 HB THR 18 HB THR 18 9.357 -2.020 -6.384 138 HG1 THR 18 HG1 THR 18 8.139 -2.762 -8.445 139 HG21 THR 18 3HG2 THR 18 10.200 -1.259 -8.401 140 HG22 THR 18 1HG2 THR 18 10.355 -2.883 -9.069 141 HG23 THR 18 2HG2 THR 18 11.497 -2.318 -7.849 142 H LEU 19 H LEU 19 12.562 -4.798 -6.934 143 HA LEU 19 HA LEU 19 13.475 -6.402 -8.262 144 HB2 LEU 19 1HB LEU 19 10.821 -7.754 -8.502 145 HB3 LEU 19 2HB LEU 19 12.432 -8.466 -8.429 146 HG LEU 19 HG LEU 19 10.966 -7.215 -6.107 147 HD11 LEU 19 1HD1 LEU 19 10.342 -9.575 -7.227 148 HD12 LEU 19 2HD1 LEU 19 10.218 -9.252 -5.498 149 HD13 LEU 19 3HD1 LEU 19 11.634 -10.085 -6.140 150 HD21 LEU 19 3HD2 LEU 19 13.093 -8.917 -5.330 151 HD22 LEU 19 1HD2 LEU 19 12.921 -7.182 -5.064 152 HD23 LEU 19 2HD2 LEU 19 13.722 -7.775 -6.519 153 H SER 20 H SER 20 12.752 -7.753 -10.446 154 HA SER 20 HA SER 20 12.224 -5.626 -12.349 155 HB2 SER 20 1HB SER 20 14.046 -7.501 -12.504 156 HB3 SER 20 2HB SER 20 12.722 -8.478 -13.138 157 HG SER 20 HG SER 20 14.180 -6.933 -14.540 158 H GLU 21 H GLU 21 10.968 -6.545 -14.413 159 HA GLU 21 HA GLU 21 8.264 -6.818 -13.567 160 HB2 GLU 21 1HB GLU 21 7.787 -7.019 -16.011 161 HB3 GLU 21 2HB GLU 21 8.723 -5.595 -15.579 162 HG2 GLU 21 1HG GLU 21 10.721 -6.538 -16.422 163 HG3 GLU 21 2HG GLU 21 9.982 -8.130 -16.583 164 H ASP 22 H ASP 22 10.731 -9.043 -14.609 165 HA ASP 22 HA ASP 22 9.109 -11.233 -15.293 166 HB2 ASP 22 1HB ASP 22 11.717 -10.810 -15.510 167 HB3 ASP 22 2HB ASP 22 11.753 -11.688 -13.983 168 H ASP 23 H ASP 23 9.993 -9.884 -12.239 169 HA ASP 23 HA ASP 23 8.789 -12.195 -10.863 170 HB2 ASP 23 1HB ASP 23 10.716 -10.151 -9.739 171 HB3 ASP 23 2HB ASP 23 10.062 -11.542 -8.879 172 H THR 24 H THR 24 8.196 -11.167 -8.449 173 HA THR 24 HA THR 24 6.641 -8.730 -8.810 174 HB THR 24 HB THR 24 4.763 -10.238 -7.533 175 HG1 THR 24 HG1 THR 24 6.296 -11.913 -9.175 176 HG21 THR 24 3HG2 THR 24 4.284 -8.702 -9.333 177 HG22 THR 24 1HG2 THR 24 3.576 -10.270 -9.717 178 HG23 THR 24 2HG2 THR 24 5.074 -9.763 -10.499 179 H VAL 25 H VAL 25 5.573 -8.075 -6.719 180 HA VAL 25 HA VAL 25 7.467 -7.940 -4.664 181 HB VAL 25 HB VAL 25 4.502 -7.388 -4.648 182 HG11 VAL 25 1HG1 VAL 25 6.530 -7.119 -2.453 183 HG12 VAL 25 2HG1 VAL 25 5.093 -6.095 -2.513 184 HG13 VAL 25 3HG1 VAL 25 4.925 -7.847 -2.395 185 HG21 VAL 25 3HG2 VAL 25 5.778 -5.883 -6.035 186 HG22 VAL 25 1HG2 VAL 25 5.272 -5.035 -4.574 187 HG23 VAL 25 2HG2 VAL 25 6.934 -5.604 -4.733 188 H LEU 26 H LEU 26 4.947 -10.246 -5.309 189 HA LEU 26 HA LEU 26 4.549 -11.370 -2.806 190 HB2 LEU 26 1HB LEU 26 4.048 -13.480 -4.066 191 HB3 LEU 26 2HB LEU 26 3.158 -12.051 -4.587 192 HG LEU 26 HG LEU 26 5.169 -11.943 -6.340 193 HD11 LEU 26 1HD1 LEU 26 4.810 -14.863 -6.407 194 HD12 LEU 26 2HD1 LEU 26 5.842 -14.249 -5.116 195 HD13 LEU 26 3HD1 LEU 26 6.221 -13.878 -6.798 196 HD21 LEU 26 3HD2 LEU 26 2.577 -13.441 -6.414 197 HD22 LEU 26 1HD2 LEU 26 3.639 -13.406 -7.822 198 HD23 LEU 26 2HD2 LEU 26 3.000 -11.900 -7.163 199 H ASP 27 H ASP 27 7.131 -11.937 -5.139 200 HA ASP 27 HA ASP 27 8.328 -14.138 -3.870 201 HB2 ASP 27 1HB ASP 27 9.168 -12.124 -5.883 202 HB3 ASP 27 2HB ASP 27 10.453 -12.998 -5.054 203 H LEU 28 H LEU 28 9.527 -10.777 -3.870 204 HA LEU 28 HA LEU 28 11.404 -11.058 -1.863 205 HB2 LEU 28 1HB LEU 28 11.590 -8.780 -1.875 206 HB3 LEU 28 2HB LEU 28 10.800 -9.055 -3.426 207 HG LEU 28 HG LEU 28 8.626 -8.653 -1.938 208 HD11 LEU 28 1HD1 LEU 28 10.554 -8.174 -0.062 209 HD12 LEU 28 2HD1 LEU 28 8.902 -7.559 -0.009 210 HD13 LEU 28 3HD1 LEU 28 10.197 -6.552 -0.656 211 HD21 LEU 28 3HD2 LEU 28 9.962 -7.298 -3.893 212 HD22 LEU 28 1HD2 LEU 28 9.925 -6.113 -2.587 213 HD23 LEU 28 2HD2 LEU 28 8.420 -6.807 -3.190 214 H LYS 29 H LYS 29 7.948 -10.748 -1.619 215 HA LYS 29 HA LYS 29 7.733 -9.964 1.067 216 HB2 LYS 29 1HB LYS 29 5.884 -10.058 -0.664 217 HB3 LYS 29 2HB LYS 29 5.817 -11.793 -0.381 218 HG2 LYS 29 1HG LYS 29 5.554 -9.881 1.901 219 HG3 LYS 29 2HG LYS 29 4.172 -10.236 0.861 220 HD2 LYS 29 1HD LYS 29 4.675 -12.694 1.309 221 HD3 LYS 29 2HD LYS 29 5.744 -12.127 2.594 222 HE2 LYS 29 1HE LYS 29 3.786 -10.860 3.525 223 HE3 LYS 29 2HE LYS 29 2.773 -11.690 2.345 224 HZ1 LYS 29 3HZ LYS 29 4.037 -12.722 4.759 225 HZ2 LYS 29 1HZ LYS 29 3.985 -13.767 3.429 226 HZ3 LYS 29 2HZ LYS 29 2.552 -13.125 4.057 227 H GLN 30 H GLN 30 7.693 -13.218 -0.379 228 HA GLN 30 HA GLN 30 7.486 -14.628 2.043 229 HB2 GLN 30 1HB GLN 30 8.502 -15.383 -0.686 230 HB3 GLN 30 2HB GLN 30 8.517 -16.527 0.649 231 HG2 GLN 30 1HG GLN 30 6.021 -15.978 0.880 232 HG3 GLN 30 2HG GLN 30 6.173 -15.285 -0.733 233 HE21 GLN 30 2HE2 GLN 30 7.175 -18.222 0.994 234 HE22 GLN 30 1HE2 GLN 30 6.731 -19.318 -0.265 235 H PHE 31 H PHE 31 10.225 -13.296 0.329 236 HA PHE 31 HA PHE 31 12.284 -14.694 1.622 237 HB2 PHE 31 1HB PHE 31 12.068 -12.161 0.090 238 HB3 PHE 31 2HB PHE 31 13.489 -12.346 1.113 239 HD1 PHE 31 HD1 PHE 31 14.708 -14.677 0.868 240 HD2 PHE 31 HD2 PHE 31 12.171 -12.928 -2.068 241 HE1 PHE 31 HE1 PHE 31 15.782 -16.046 -0.871 242 HE2 PHE 31 HE2 PHE 31 13.240 -14.295 -3.812 243 HZ PHE 31 HZ PHE 31 15.048 -15.858 -3.214 244 H LEU 32 H LEU 32 10.674 -11.645 2.443 245 HA LEU 32 HA LEU 32 12.260 -11.113 4.737 246 HB2 LEU 32 1HB LEU 32 9.478 -10.140 4.104 247 HB3 LEU 32 2HB LEU 32 10.591 -9.436 5.275 248 HG LEU 32 HG LEU 32 10.926 -9.461 2.276 249 HD11 LEU 32 1HD1 LEU 32 9.225 -7.898 3.423 250 HD12 LEU 32 2HD1 LEU 32 10.383 -7.206 2.288 251 HD13 LEU 32 3HD1 LEU 32 10.648 -7.047 4.024 252 HD21 LEU 32 3HD2 LEU 32 12.896 -8.077 2.679 253 HD22 LEU 32 1HD2 LEU 32 13.074 -9.668 3.419 254 HD23 LEU 32 2HD2 LEU 32 12.684 -8.270 4.420 255 H LYS 33 H LYS 33 9.373 -12.981 4.163 256 HA LYS 33 HA LYS 33 8.620 -13.233 6.910 257 HB2 LYS 33 1HB LYS 33 6.809 -13.640 5.558 258 HB3 LYS 33 2HB LYS 33 7.772 -14.451 4.329 259 HG2 LYS 33 1HG LYS 33 7.471 -15.784 6.964 260 HG3 LYS 33 2HG LYS 33 6.084 -15.764 5.872 261 HD2 LYS 33 1HD LYS 33 8.083 -16.479 4.176 262 HD3 LYS 33 2HD LYS 33 8.626 -17.227 5.680 263 HE2 LYS 33 1HE LYS 33 6.324 -18.218 5.890 264 HE3 LYS 33 2HE LYS 33 6.004 -17.640 4.256 265 HZ1 LYS 33 3HZ LYS 33 7.679 -19.844 5.150 266 HZ2 LYS 33 1HZ LYS 33 8.278 -18.933 3.856 267 HZ3 LYS 33 2HZ LYS 33 6.766 -19.681 3.735 268 H THR 34 H THR 34 10.748 -14.949 4.753 269 HA THR 34 HA THR 34 11.059 -17.185 6.584 270 HB THR 34 HB THR 34 12.879 -17.832 4.854 271 HG1 THR 34 HG1 THR 34 12.878 -16.727 2.983 272 HG21 THR 34 3HG2 THR 34 10.578 -18.826 5.097 273 HG22 THR 34 1HG2 THR 34 11.257 -18.904 3.472 274 HG23 THR 34 2HG2 THR 34 10.035 -17.692 3.860 275 H LEU 35 H LEU 35 12.741 -14.272 5.635 276 HA LEU 35 HA LEU 35 15.162 -14.987 7.049 277 HB2 LEU 35 1HB LEU 35 14.262 -12.799 5.299 278 HB3 LEU 35 2HB LEU 35 15.422 -12.341 6.544 279 HG LEU 35 HG LEU 35 16.516 -14.621 5.395 280 HD11 LEU 35 1HD1 LEU 35 15.522 -12.808 3.205 281 HD12 LEU 35 2HD1 LEU 35 14.831 -14.386 3.581 282 HD13 LEU 35 3HD1 LEU 35 16.502 -14.265 3.029 283 HD21 LEU 35 3HD2 LEU 35 18.071 -12.909 4.340 284 HD22 LEU 35 1HD2 LEU 35 17.879 -12.836 6.092 285 HD23 LEU 35 2HD2 LEU 35 17.034 -11.679 5.063 286 H THR 36 H THR 36 12.518 -12.648 7.442 287 HA THR 36 HA THR 36 13.425 -12.171 10.200 288 HB THR 36 HB THR 36 12.454 -10.066 10.161 289 HG1 THR 36 HG1 THR 36 10.969 -10.625 7.812 290 HG21 THR 36 3HG2 THR 36 13.174 -8.963 8.135 291 HG22 THR 36 1HG2 THR 36 13.158 -10.491 7.255 292 HG23 THR 36 2HG2 THR 36 14.332 -10.228 8.544 293 H GLY 37 H GLY 37 10.575 -12.936 8.241 294 HA2 GLY 37 1HA GLY 37 8.510 -13.768 8.821 295 HA3 GLY 37 2HA GLY 37 9.423 -14.731 9.972 296 H VAL 38 H VAL 38 9.351 -11.251 10.160 297 HA VAL 38 HA VAL 38 7.630 -11.463 12.546 298 HB VAL 38 HB VAL 38 9.982 -10.946 13.112 299 HG11 VAL 38 1HG1 VAL 38 10.096 -9.512 10.864 300 HG12 VAL 38 2HG1 VAL 38 9.755 -8.210 12.006 301 HG13 VAL 38 3HG1 VAL 38 11.176 -9.231 12.229 302 HG21 VAL 38 3HG2 VAL 38 8.175 -8.585 13.607 303 HG22 VAL 38 1HG2 VAL 38 8.049 -10.122 14.462 304 HG23 VAL 38 2HG2 VAL 38 9.509 -9.145 14.616 305 H LEU 39 H LEU 39 8.111 -10.025 9.501 306 HA LEU 39 HA LEU 39 6.970 -7.525 9.707 307 HB2 LEU 39 1HB LEU 39 7.200 -9.558 7.580 308 HB3 LEU 39 2HB LEU 39 5.971 -8.319 7.335 309 HG LEU 39 HG LEU 39 7.687 -6.582 7.506 310 HD11 LEU 39 1HD1 LEU 39 9.423 -7.224 8.808 311 HD12 LEU 39 2HD1 LEU 39 10.109 -7.669 7.247 312 HD13 LEU 39 3HD1 LEU 39 9.360 -8.900 8.263 313 HD21 LEU 39 3HD2 LEU 39 8.626 -6.892 5.374 314 HD22 LEU 39 1HD2 LEU 39 7.099 -7.775 5.338 315 HD23 LEU 39 2HD2 LEU 39 8.619 -8.649 5.534 316 HA PRO 40 HA PRO 40 2.584 -9.456 9.080 317 HB2 PRO 40 1HB PRO 40 2.369 -12.153 9.304 318 HB3 PRO 40 2HB PRO 40 2.703 -11.340 7.770 319 HG2 PRO 40 1HG PRO 40 4.601 -12.688 9.652 320 HG3 PRO 40 2HG PRO 40 4.538 -12.764 7.882 321 HD2 PRO 40 1HD PRO 40 6.296 -11.190 9.209 322 HD3 PRO 40 2HD PRO 40 5.619 -10.744 7.630 323 H GLU 41 H GLU 41 4.847 -10.244 11.470 324 HA GLU 41 HA GLU 41 2.813 -11.005 13.430 325 HB2 GLU 41 1HB GLU 41 5.830 -10.974 13.540 326 HB3 GLU 41 2HB GLU 41 4.819 -11.332 14.933 327 HG2 GLU 41 1HG GLU 41 3.774 -13.142 13.422 328 HG3 GLU 41 2HG GLU 41 5.220 -12.925 12.438 329 H ARG 42 H ARG 42 5.717 -8.989 13.781 330 HA ARG 42 HA ARG 42 4.059 -6.757 14.687 331 HB2 ARG 42 1HB ARG 42 6.308 -7.966 16.307 332 HB3 ARG 42 2HB ARG 42 5.512 -6.442 16.677 333 HG2 ARG 42 1HG ARG 42 3.350 -7.932 16.638 334 HG3 ARG 42 2HG ARG 42 4.508 -9.226 16.954 335 HD2 ARG 42 1HD ARG 42 3.629 -8.358 19.041 336 HD3 ARG 42 2HD ARG 42 5.345 -7.981 18.898 337 HE ARG 42 HE ARG 42 3.997 -5.791 17.902 338 HH11 ARG 42 1HH1 ARG 42 4.172 -7.511 20.923 339 HH12 ARG 42 2HH1 ARG 42 3.836 -6.112 21.889 340 HH21 ARG 42 1HH2 ARG 42 3.554 -3.942 19.162 341 HH22 ARG 42 2HH2 ARG 42 3.484 -4.083 20.886 342 H GLN 43 H GLN 43 4.641 -5.404 13.064 343 HA GLN 43 HA GLN 43 7.517 -4.833 12.768 344 HB2 GLN 43 1HB GLN 43 6.791 -3.959 10.458 345 HB3 GLN 43 2HB GLN 43 6.882 -5.699 10.692 346 HG2 GLN 43 1HG GLN 43 4.896 -5.226 9.480 347 HG3 GLN 43 2HG GLN 43 4.431 -5.707 11.111 348 HE21 GLN 43 2HE2 GLN 43 2.885 -4.530 11.959 349 HE22 GLN 43 1HE2 GLN 43 2.559 -2.868 11.621 350 H LYS 44 H LYS 44 8.157 -2.671 12.545 351 HA LYS 44 HA LYS 44 6.101 -0.660 13.169 352 HB2 LYS 44 1HB LYS 44 8.887 -0.582 14.317 353 HB3 LYS 44 2HB LYS 44 7.498 0.393 14.778 354 HG2 LYS 44 1HG LYS 44 6.410 -1.561 15.721 355 HG3 LYS 44 2HG LYS 44 7.759 -2.577 15.208 356 HD2 LYS 44 1HD LYS 44 8.818 -0.399 16.688 357 HD3 LYS 44 2HD LYS 44 7.473 -1.076 17.608 358 HE2 LYS 44 1HE LYS 44 8.678 -3.348 16.879 359 HE3 LYS 44 2HE LYS 44 10.079 -2.278 16.873 360 HZ1 LYS 44 3HZ LYS 44 10.134 -2.805 19.041 361 HZ2 LYS 44 1HZ LYS 44 8.503 -3.251 19.102 362 HZ3 LYS 44 2HZ LYS 44 8.937 -1.619 19.191 363 H LEU 45 H LEU 45 8.246 -1.670 10.955 364 HA LEU 45 HA LEU 45 9.816 0.483 10.228 365 HB2 LEU 45 1HB LEU 45 9.453 -0.417 7.847 366 HB3 LEU 45 2HB LEU 45 10.218 -1.461 9.043 367 HG LEU 45 HG LEU 45 7.355 -1.858 8.990 368 HD11 LEU 45 1HD1 LEU 45 7.897 -3.132 6.634 369 HD12 LEU 45 2HD1 LEU 45 8.712 -1.583 6.420 370 HD13 LEU 45 3HD1 LEU 45 6.991 -1.628 6.798 371 HD21 LEU 45 3HD2 LEU 45 8.676 -3.503 9.993 372 HD22 LEU 45 1HD2 LEU 45 9.823 -3.529 8.654 373 HD23 LEU 45 2HD2 LEU 45 8.211 -4.212 8.445 374 H LEU 46 H LEU 46 9.495 1.884 8.255 375 HA LEU 46 HA LEU 46 6.732 2.902 8.154 376 HB2 LEU 46 1HB LEU 46 7.858 5.153 7.710 377 HB3 LEU 46 2HB LEU 46 7.855 4.538 9.362 378 HG LEU 46 HG LEU 46 9.994 5.628 8.556 379 HD11 LEU 46 1HD1 LEU 46 10.775 2.903 9.310 380 HD12 LEU 46 2HD1 LEU 46 9.554 3.640 10.347 381 HD13 LEU 46 3HD1 LEU 46 11.104 4.444 10.103 382 HD21 LEU 46 3HD2 LEU 46 11.425 4.496 7.085 383 HD22 LEU 46 1HD2 LEU 46 9.845 4.437 6.304 384 HD23 LEU 46 2HD2 LEU 46 10.465 3.017 7.147 385 H GLY 47 H GLY 47 6.598 4.534 6.180 386 HA2 GLY 47 1HA GLY 47 6.517 4.734 3.895 387 HA3 GLY 47 2HA GLY 47 8.164 4.123 3.896 388 H LEU 48 H LEU 48 8.560 2.011 3.362 389 HA LEU 48 HA LEU 48 6.639 0.689 1.771 390 HB2 LEU 48 1HB LEU 48 9.053 0.470 1.434 391 HB3 LEU 48 2HB LEU 48 9.191 -0.374 2.975 392 HG LEU 48 HG LEU 48 9.226 -1.751 0.803 393 HD11 LEU 48 1HD1 LEU 48 8.250 -2.261 3.413 394 HD12 LEU 48 2HD1 LEU 48 8.976 -3.390 2.270 395 HD13 LEU 48 3HD1 LEU 48 7.231 -3.137 2.271 396 HD21 LEU 48 3HD2 LEU 48 6.278 -1.852 0.992 397 HD22 LEU 48 1HD2 LEU 48 7.337 -2.064 -0.403 398 HD23 LEU 48 2HD2 LEU 48 6.972 -0.443 0.189 399 H LYS 49 H LYS 49 5.178 -0.850 2.216 400 HA LYS 49 HA LYS 49 3.859 -2.290 3.382 401 HB2 LYS 49 1HB LYS 49 6.566 -2.775 4.425 402 HB3 LYS 49 2HB LYS 49 5.273 -3.263 5.514 403 HG2 LYS 49 1HG LYS 49 5.530 -4.138 2.644 404 HG3 LYS 49 2HG LYS 49 6.039 -5.083 4.046 405 HD2 LYS 49 1HD LYS 49 3.258 -4.071 4.060 406 HD3 LYS 49 2HD LYS 49 3.632 -5.345 2.897 407 HE2 LYS 49 1HE LYS 49 4.263 -6.849 4.585 408 HE3 LYS 49 2HE LYS 49 4.408 -5.570 5.789 409 HZ1 LYS 49 3HZ LYS 49 2.406 -6.856 6.139 410 HZ2 LYS 49 1HZ LYS 49 1.877 -6.529 4.566 411 HZ3 LYS 49 2HZ LYS 49 2.002 -5.275 5.694 412 H VAL 50 H VAL 50 2.651 -0.361 4.002 413 HA VAL 50 HA VAL 50 3.088 0.653 6.693 414 HB VAL 50 HB VAL 50 1.144 2.133 6.189 415 HG11 VAL 50 1HG1 VAL 50 2.650 2.846 3.890 416 HG12 VAL 50 2HG1 VAL 50 2.718 3.542 5.510 417 HG13 VAL 50 3HG1 VAL 50 3.760 2.182 5.089 418 HG21 VAL 50 3HG2 VAL 50 0.115 2.177 4.071 419 HG22 VAL 50 1HG2 VAL 50 1.323 1.097 3.373 420 HG23 VAL 50 2HG2 VAL 50 0.151 0.476 4.535 421 H LYS 51 H LYS 51 1.468 0.622 8.325 422 HA LYS 51 HA LYS 51 0.038 -1.878 8.434 423 HB2 LYS 51 1HB LYS 51 1.271 -0.797 10.374 424 HB3 LYS 51 2HB LYS 51 -0.053 0.358 10.457 425 HG2 LYS 51 1HG LYS 51 -1.623 -1.412 10.929 426 HG3 LYS 51 2HG LYS 51 -0.357 -2.626 10.729 427 HD2 LYS 51 1HD LYS 51 0.616 -2.140 12.739 428 HD3 LYS 51 2HD LYS 51 0.104 -0.451 12.701 429 HE2 LYS 51 1HE LYS 51 -1.718 -2.806 13.185 430 HE3 LYS 51 2HE LYS 51 -1.045 -1.773 14.445 431 HZ1 LYS 51 3HZ LYS 51 -2.156 0.123 13.262 432 HZ2 LYS 51 1HZ LYS 51 -3.203 -0.981 14.002 433 HZ3 LYS 51 2HZ LYS 51 -2.975 -1.024 12.327 434 H GLY 52 H GLY 52 -2.215 -2.120 8.777 435 HA2 GLY 52 1HA GLY 52 -4.455 -1.542 8.642 436 HA3 GLY 52 2HA GLY 52 -3.977 0.146 8.537 437 H LYS 53 H LYS 53 -2.195 -1.435 6.279 438 HA LYS 53 HA LYS 53 -3.968 -1.979 4.192 439 HB2 LYS 53 1HB LYS 53 -3.446 0.141 2.823 440 HB3 LYS 53 2HB LYS 53 -4.686 0.243 4.066 441 HG2 LYS 53 1HG LYS 53 -3.148 1.320 5.576 442 HG3 LYS 53 2HG LYS 53 -1.827 1.117 4.423 443 HD2 LYS 53 1HD LYS 53 -4.310 2.587 3.627 444 HD3 LYS 53 2HD LYS 53 -3.060 3.401 4.571 445 HE2 LYS 53 1HE LYS 53 -1.525 3.310 2.866 446 HE3 LYS 53 2HE LYS 53 -2.256 1.880 2.139 447 HZ1 LYS 53 3HZ LYS 53 -3.628 3.116 0.898 448 HZ2 LYS 53 1HZ LYS 53 -2.533 4.372 1.194 449 HZ3 LYS 53 2HZ LYS 53 -3.934 4.233 2.131 450 HA PRO 54 HA PRO 54 0.519 -3.016 3.608 451 HB2 PRO 54 1HB PRO 54 0.085 -5.653 3.128 452 HB3 PRO 54 2HB PRO 54 0.285 -4.993 4.756 453 HG2 PRO 54 1HG PRO 54 -2.230 -5.696 3.292 454 HG3 PRO 54 2HG PRO 54 -1.795 -6.009 4.982 455 HD2 PRO 54 1HD PRO 54 -3.416 -3.967 4.249 456 HD3 PRO 54 2HD PRO 54 -2.326 -3.866 5.647 457 H ALA 55 H ALA 55 1.583 -3.500 1.670 458 HA ALA 55 HA ALA 55 0.367 -2.702 -0.698 459 HB1 ALA 55 1HB ALA 55 2.356 -3.641 -1.829 460 HB2 ALA 55 2HB ALA 55 2.762 -2.640 -0.435 461 HB3 ALA 55 3HB ALA 55 2.829 -4.398 -0.308 462 H GLU 56 H GLU 56 0.560 -4.239 -2.745 463 HA GLU 56 HA GLU 56 -0.889 -6.723 -2.100 464 HB2 GLU 56 1HB GLU 56 -2.217 -4.805 -3.180 465 HB3 GLU 56 2HB GLU 56 -1.298 -5.157 -4.637 466 HG2 GLU 56 1HG GLU 56 -2.325 -7.176 -4.969 467 HG3 GLU 56 2HG GLU 56 -2.717 -7.380 -3.263 468 H ASN 57 H ASN 57 -0.655 -8.463 -3.650 469 HA ASN 57 HA ASN 57 2.047 -8.846 -4.429 470 HB2 ASN 57 1HB ASN 57 1.100 -10.946 -5.526 471 HB3 ASN 57 2HB ASN 57 0.851 -10.788 -3.789 472 HD21 ASN 57 2HD2 ASN 57 -1.205 -10.412 -2.996 473 HD22 ASN 57 1HD2 ASN 57 -2.622 -10.616 -3.964 474 H ASP 58 H ASP 58 -0.759 -7.632 -6.045 475 HA ASP 58 HA ASP 58 -0.093 -8.116 -8.714 476 HB2 ASP 58 1HB ASP 58 -1.584 -5.786 -7.489 477 HB3 ASP 58 2HB ASP 58 -1.525 -6.134 -9.215 478 H VAL 59 H VAL 59 1.297 -5.971 -6.416 479 HA VAL 59 HA VAL 59 2.354 -3.990 -8.095 480 HB VAL 59 HB VAL 59 3.487 -5.090 -5.519 481 HG11 VAL 59 1HG1 VAL 59 5.198 -3.914 -6.781 482 HG12 VAL 59 2HG1 VAL 59 4.122 -2.529 -6.981 483 HG13 VAL 59 3HG1 VAL 59 4.709 -2.966 -5.376 484 HG21 VAL 59 3HG2 VAL 59 2.118 -3.698 -4.375 485 HG22 VAL 59 1HG2 VAL 59 2.146 -2.462 -5.633 486 HG23 VAL 59 2HG2 VAL 59 1.108 -3.877 -5.809 487 H LYS 60 H LYS 60 4.269 -3.789 -9.200 488 HA LYS 60 HA LYS 60 6.348 -5.732 -9.109 489 HB2 LYS 60 1HB LYS 60 6.022 -6.351 -11.599 490 HB3 LYS 60 2HB LYS 60 5.051 -7.184 -10.391 491 HG2 LYS 60 1HG LYS 60 3.147 -6.417 -11.247 492 HG3 LYS 60 2HG LYS 60 3.770 -4.770 -11.375 493 HD2 LYS 60 1HD LYS 60 3.622 -5.150 -13.591 494 HD3 LYS 60 2HD LYS 60 5.156 -5.991 -13.356 495 HE2 LYS 60 1HE LYS 60 4.080 -8.103 -13.254 496 HE3 LYS 60 2HE LYS 60 2.486 -7.361 -13.126 497 HZ1 LYS 60 3HZ LYS 60 2.897 -6.434 -15.398 498 HZ2 LYS 60 1HZ LYS 60 2.728 -8.116 -15.336 499 HZ3 LYS 60 2HZ LYS 60 4.263 -7.426 -15.497 500 H LEU 61 H LEU 61 7.750 -5.392 -11.282 501 HA LEU 61 HA LEU 61 8.693 -2.746 -11.149 502 HB2 LEU 61 1HB LEU 61 10.049 -4.710 -11.795 503 HB3 LEU 61 2HB LEU 61 9.170 -4.782 -13.321 504 HG LEU 61 HG LEU 61 10.072 -2.289 -13.515 505 HD11 LEU 61 1HD1 LEU 61 12.348 -3.590 -12.064 506 HD12 LEU 61 2HD1 LEU 61 11.161 -2.602 -11.214 507 HD13 LEU 61 3HD1 LEU 61 12.133 -1.895 -12.504 508 HD21 LEU 61 3HD2 LEU 61 12.086 -4.400 -14.086 509 HD22 LEU 61 1HD2 LEU 61 11.503 -3.086 -15.107 510 HD23 LEU 61 2HD2 LEU 61 10.505 -4.519 -14.859 511 H GLY 62 H GLY 62 6.240 -4.229 -13.078 512 HA2 GLY 62 1HA GLY 62 6.213 -2.064 -15.028 513 HA3 GLY 62 2HA GLY 62 5.169 -3.478 -15.024 514 H ALA 63 H ALA 63 5.436 -1.864 -12.027 515 HA ALA 63 HA ALA 63 2.904 -0.441 -12.521 516 HB1 ALA 63 1HB ALA 63 3.351 -1.457 -9.792 517 HB2 ALA 63 2HB ALA 63 1.872 -1.381 -10.751 518 HB3 ALA 63 3HB ALA 63 3.035 -2.678 -11.025 519 H LEU 64 H LEU 64 5.778 -0.674 -10.453 520 HA LEU 64 HA LEU 64 5.750 2.246 -10.204 521 HB2 LEU 64 1HB LEU 64 6.737 1.426 -7.772 522 HB3 LEU 64 2HB LEU 64 5.133 2.090 -8.075 523 HG LEU 64 HG LEU 64 4.292 -0.239 -8.352 524 HD11 LEU 64 1HD1 LEU 64 6.616 -1.375 -6.966 525 HD12 LEU 64 2HD1 LEU 64 6.893 -0.936 -8.651 526 HD13 LEU 64 3HD1 LEU 64 5.599 -2.059 -8.234 527 HD21 LEU 64 3HD2 LEU 64 5.606 0.457 -5.728 528 HD22 LEU 64 1HD2 LEU 64 4.372 -0.785 -5.943 529 HD23 LEU 64 2HD2 LEU 64 3.983 0.908 -6.252 530 H LYS 65 H LYS 65 7.408 2.009 -11.854 531 HA LYS 65 HA LYS 65 9.871 0.680 -11.208 532 HB2 LYS 65 1HB LYS 65 10.697 1.670 -13.300 533 HB3 LYS 65 2HB LYS 65 9.148 0.870 -13.530 534 HG2 LYS 65 1HG LYS 65 8.033 2.828 -13.909 535 HG3 LYS 65 2HG LYS 65 9.162 3.785 -12.948 536 HD2 LYS 65 1HD LYS 65 9.934 2.511 -15.562 537 HD3 LYS 65 2HD LYS 65 9.233 4.128 -15.464 538 HE2 LYS 65 1HE LYS 65 11.141 4.469 -13.676 539 HE3 LYS 65 2HE LYS 65 11.896 3.144 -14.562 540 HZ1 LYS 65 3HZ LYS 65 10.827 5.244 -16.231 541 HZ2 LYS 65 1HZ LYS 65 12.320 4.453 -16.308 542 HZ3 LYS 65 2HZ LYS 65 12.098 5.736 -15.230 543 H LEU 66 H LEU 66 9.452 2.248 -9.098 544 HA LEU 66 HA LEU 66 10.603 4.851 -9.332 545 HB2 LEU 66 1HB LEU 66 9.284 3.315 -7.336 546 HB3 LEU 66 2HB LEU 66 10.809 3.894 -6.668 547 HG LEU 66 HG LEU 66 9.167 5.913 -8.058 548 HD11 LEU 66 1HD1 LEU 66 8.324 5.248 -5.288 549 HD12 LEU 66 2HD1 LEU 66 7.658 4.301 -6.617 550 HD13 LEU 66 3HD1 LEU 66 7.433 6.049 -6.582 551 HD21 LEU 66 3HD2 LEU 66 9.838 6.824 -5.564 552 HD22 LEU 66 1HD2 LEU 66 10.793 7.050 -7.029 553 HD23 LEU 66 2HD2 LEU 66 11.161 5.717 -5.935 554 H LYS 67 H LYS 67 12.412 5.186 -7.407 555 HA LYS 67 HA LYS 67 14.643 3.435 -8.208 556 HB2 LYS 67 1HB LYS 67 16.132 5.327 -7.866 557 HB3 LYS 67 2HB LYS 67 14.864 5.757 -9.006 558 HG2 LYS 67 1HG LYS 67 14.288 6.388 -6.194 559 HG3 LYS 67 2HG LYS 67 15.621 7.289 -6.920 560 HD2 LYS 67 1HD LYS 67 12.967 7.021 -8.299 561 HD3 LYS 67 2HD LYS 67 13.261 8.281 -7.098 562 HE2 LYS 67 1HE LYS 67 15.029 7.850 -9.496 563 HE3 LYS 67 2HE LYS 67 13.637 8.931 -9.513 564 HZ1 LYS 67 3HZ LYS 67 14.642 10.397 -8.087 565 HZ2 LYS 67 1HZ LYS 67 15.987 9.839 -8.949 566 HZ3 LYS 67 2HZ LYS 67 15.661 9.232 -7.404 567 HA PRO 68 HA PRO 68 15.290 2.274 -4.024 568 HB2 PRO 68 1HB PRO 68 17.991 2.016 -3.955 569 HB3 PRO 68 2HB PRO 68 16.938 0.869 -4.791 570 HG2 PRO 68 1HG PRO 68 18.534 3.140 -5.912 571 HG3 PRO 68 2HG PRO 68 18.328 1.497 -6.546 572 HD2 PRO 68 1HD PRO 68 16.954 3.617 -7.520 573 HD3 PRO 68 2HD PRO 68 16.275 1.977 -7.476 574 H ASN 69 H ASN 69 16.471 5.215 -5.250 575 HA ASN 69 HA ASN 69 18.015 6.234 -3.183 576 HB2 ASN 69 1HB ASN 69 17.515 7.288 -5.451 577 HB3 ASN 69 2HB ASN 69 16.017 7.878 -4.737 578 HD21 ASN 69 2HD2 ASN 69 19.238 8.527 -5.282 579 HD22 ASN 69 1HD2 ASN 69 19.436 9.842 -4.178 580 H THR 70 H THR 70 14.616 5.631 -3.316 581 HA THR 70 HA THR 70 13.548 7.377 -1.486 582 HB THR 70 HB THR 70 12.199 5.156 -0.778 583 HG1 THR 70 HG1 THR 70 13.855 4.062 -2.293 584 HG21 THR 70 3HG2 THR 70 10.747 5.601 -2.792 585 HG22 THR 70 1HG2 THR 70 11.969 6.755 -3.324 586 HG23 THR 70 2HG2 THR 70 11.116 7.013 -1.803 587 H LYS 71 H LYS 71 15.150 4.278 -0.793 588 HA LYS 71 HA LYS 71 16.136 3.460 1.086 589 HB2 LYS 71 1HB LYS 71 16.432 6.398 1.364 590 HB3 LYS 71 2HB LYS 71 16.694 5.442 2.816 591 HG2 LYS 71 1HG LYS 71 18.523 4.333 1.907 592 HG3 LYS 71 2HG LYS 71 18.071 4.746 0.252 593 HD2 LYS 71 1HD LYS 71 18.826 6.939 0.464 594 HD3 LYS 71 2HD LYS 71 18.774 6.887 2.227 595 HE2 LYS 71 1HE LYS 71 21.018 6.671 1.941 596 HE3 LYS 71 2HE LYS 71 20.571 4.969 1.832 597 HZ1 LYS 71 3HZ LYS 71 20.405 5.390 -0.651 598 HZ2 LYS 71 1HZ LYS 71 21.959 5.348 0.015 599 HZ3 LYS 71 2HZ LYS 71 21.241 6.832 -0.363 600 H ILE 72 H ILE 72 14.826 2.245 2.283 601 HA ILE 72 HA ILE 72 12.737 3.560 3.880 602 HB ILE 72 HB ILE 72 11.953 1.828 2.310 603 HG12 ILE 72 1HG1 ILE 72 11.084 2.259 4.796 604 HG13 ILE 72 2HG1 ILE 72 10.370 1.028 3.760 605 HG21 ILE 72 1HG2 ILE 72 12.481 -0.566 2.897 606 HG22 ILE 72 2HG2 ILE 72 13.801 0.353 2.176 607 HG23 ILE 72 3HG2 ILE 72 13.780 0.057 3.914 608 HD11 ILE 72 3HD1 ILE 72 10.990 0.449 6.199 609 HD12 ILE 72 1HD1 ILE 72 11.362 -0.701 4.915 610 HD13 ILE 72 2HD1 ILE 72 12.634 0.329 5.572 611 H MET 73 H MET 73 12.530 3.160 6.069 612 HA MET 73 HA MET 73 14.906 1.989 7.340 613 HB2 MET 73 1HB MET 73 12.884 4.000 8.327 614 HB3 MET 73 2HB MET 73 14.086 3.256 9.374 615 HG2 MET 73 1HG MET 73 15.863 4.174 7.938 616 HG3 MET 73 2HG MET 73 14.631 4.972 6.963 617 HE1 MET 73 3HE MET 73 16.627 7.665 9.116 618 HE2 MET 73 1HE MET 73 16.983 6.367 7.976 619 HE3 MET 73 2HE MET 73 15.807 7.613 7.554 620 H MET 74 H MET 74 14.749 0.183 8.515 621 HA MET 74 HA MET 74 12.067 -0.918 8.981 622 HB2 MET 74 1HB MET 74 14.587 -2.056 8.131 623 HB3 MET 74 2HB MET 74 13.972 -2.892 9.551 624 HG2 MET 74 1HG MET 74 11.819 -3.212 8.374 625 HG3 MET 74 2HG MET 74 12.538 -2.485 6.939 626 HE1 MET 74 3HE MET 74 11.351 -4.574 6.139 627 HE2 MET 74 1HE MET 74 12.326 -5.966 5.667 628 HE3 MET 74 2HE MET 74 11.429 -5.993 7.185 629 H MET 75 H MET 75 11.361 -1.446 10.992 630 HA MET 75 HA MET 75 13.228 -1.204 13.238 631 HB2 MET 75 1HB MET 75 11.067 0.623 12.605 632 HB3 MET 75 2HB MET 75 10.837 -0.113 14.186 633 HG2 MET 75 1HG MET 75 12.580 0.975 15.097 634 HG3 MET 75 2HG MET 75 13.549 0.876 13.629 635 HE1 MET 75 3HE MET 75 10.115 3.177 14.782 636 HE2 MET 75 1HE MET 75 11.362 2.571 15.873 637 HE3 MET 75 2HE MET 75 11.377 4.261 15.370 638 H GLY 76 H GLY 76 12.824 -2.563 14.938 639 HA2 GLY 76 1HA GLY 76 11.939 -4.355 16.068 640 HA3 GLY 76 2HA GLY 76 10.369 -3.813 15.495 641 H THR 77 H THR 77 12.897 -4.638 13.253 642 HA THR 77 HA THR 77 11.247 -6.814 12.236 643 HB THR 77 HB THR 77 13.165 -6.828 10.450 644 HG1 THR 77 HG1 THR 77 14.547 -5.228 10.588 645 HG21 THR 77 3HG2 THR 77 11.776 -4.317 10.057 646 HG22 THR 77 1HG2 THR 77 10.689 -5.572 10.651 647 HG23 THR 77 2HG2 THR 77 11.620 -5.837 9.176 648 H ARG 78 H ARG 78 11.834 -8.009 14.302 649 HA ARG 78 HA ARG 78 14.426 -8.999 14.744 650 HB2 ARG 78 1HB ARG 78 11.695 -9.997 15.525 651 HB3 ARG 78 2HB ARG 78 13.158 -10.862 15.975 652 HG2 ARG 78 1HG ARG 78 13.936 -9.038 17.280 653 HG3 ARG 78 2HG ARG 78 12.674 -7.975 16.654 654 HD2 ARG 78 1HD ARG 78 11.072 -9.781 17.660 655 HD3 ARG 78 2HD ARG 78 12.479 -10.197 18.638 656 HE ARG 78 HE ARG 78 12.194 -7.467 18.854 657 HH11 ARG 78 1HH1 ARG 78 10.263 -10.277 19.558 658 HH12 ARG 78 2HH1 ARG 78 9.422 -9.529 20.875 659 HH21 ARG 78 1HH2 ARG 78 11.093 -6.472 20.586 660 HH22 ARG 78 2HH2 ARG 78 9.894 -7.365 21.459 661 H GLU 79 H GLU 79 14.567 -11.616 14.812 662 HA GLU 79 HA GLU 79 13.949 -12.545 12.085 663 HB2 GLU 79 1HB GLU 79 16.430 -13.323 13.611 664 HB3 GLU 79 2HB GLU 79 16.076 -13.595 11.911 665 HG2 GLU 79 1HG GLU 79 17.509 -11.838 11.747 666 HG3 GLU 79 2HG GLU 79 15.976 -10.975 11.841 667 H GLU 80 H GLU 80 14.262 -15.025 11.958 668 HA GLU 80 HA GLU 80 12.816 -16.182 14.239 669 HB2 GLU 80 1HB GLU 80 11.909 -16.227 11.813 670 HB3 GLU 80 2HB GLU 80 13.103 -17.490 11.549 671 HG2 GLU 80 1HG GLU 80 11.263 -17.749 13.866 672 HG3 GLU 80 2HG GLU 80 10.632 -18.048 12.248 673 H SER 81 H SER 81 15.439 -16.904 11.952 674 HA SER 81 HA SER 81 16.276 -19.300 13.165 675 HB2 SER 81 1HB SER 81 17.046 -18.899 10.962 676 HB3 SER 81 2HB SER 81 17.680 -17.309 11.386 677 HG SER 81 HG SER 81 19.360 -18.818 11.238 Start of MODEL 5 1 H1 MET 1 H MET 1 0.465 -0.376 -0.942 2 HA MET 1 HA MET 1 1.427 -2.182 -2.976 3 HB2 MET 1 1HB MET 1 1.355 0.795 -3.503 4 HB3 MET 1 2HB MET 1 2.205 -0.388 -4.490 5 HG2 MET 1 1HG MET 1 -0.138 -1.505 -4.675 6 HG3 MET 1 2HG MET 1 -0.723 0.089 -4.205 7 HE1 MET 1 3HE MET 1 -0.201 2.324 -7.124 8 HE2 MET 1 1HE MET 1 -1.576 1.622 -6.270 9 HE3 MET 1 2HE MET 1 -0.187 2.221 -5.363 10 H ALA 2 H ALA 2 3.689 -2.286 -3.077 11 HA ALA 2 HA ALA 2 5.018 -1.177 -0.729 12 HB1 ALA 2 1HB ALA 2 6.861 -2.755 -2.054 13 HB2 ALA 2 2HB ALA 2 5.844 -3.245 -0.698 14 HB3 ALA 2 3HB ALA 2 5.321 -3.561 -2.353 15 H LEU 3 H LEU 3 7.486 -0.723 -1.197 16 HA LEU 3 HA LEU 3 7.688 0.969 -3.597 17 HB2 LEU 3 1HB LEU 3 8.941 1.740 -0.986 18 HB3 LEU 3 2HB LEU 3 8.634 2.742 -2.403 19 HG LEU 3 HG LEU 3 6.384 1.624 -0.759 20 HD11 LEU 3 1HD1 LEU 3 8.180 3.917 -0.158 21 HD12 LEU 3 2HD1 LEU 3 7.383 2.786 0.935 22 HD13 LEU 3 3HD1 LEU 3 6.456 4.081 0.178 23 HD21 LEU 3 3HD2 LEU 3 5.146 3.458 -1.716 24 HD22 LEU 3 1HD2 LEU 3 5.923 2.544 -3.009 25 HD23 LEU 3 2HD2 LEU 3 6.603 4.086 -2.488 26 HA PRO 4 HA PRO 4 11.410 -1.316 -4.267 27 HB2 PRO 4 1HB PRO 4 12.477 0.286 -6.183 28 HB3 PRO 4 2HB PRO 4 11.126 -0.812 -6.491 29 HG2 PRO 4 1HG PRO 4 11.089 2.133 -5.954 30 HG3 PRO 4 2HG PRO 4 10.170 1.202 -7.152 31 HD2 PRO 4 1HD PRO 4 9.094 2.022 -4.807 32 HD3 PRO 4 2HD PRO 4 8.609 0.511 -5.604 33 H MET 5 H MET 5 12.096 -0.646 -2.039 34 HA MET 5 HA MET 5 14.357 1.229 -2.225 35 HB2 MET 5 1HB MET 5 13.030 0.941 0.408 36 HB3 MET 5 2HB MET 5 13.779 2.352 -0.328 37 HG2 MET 5 1HG MET 5 11.792 2.497 -1.845 38 HG3 MET 5 2HG MET 5 11.041 1.239 -0.867 39 HE1 MET 5 3HE MET 5 10.760 1.407 1.675 40 HE2 MET 5 1HE MET 5 10.013 2.862 2.335 41 HE3 MET 5 2HE MET 5 9.271 2.035 0.966 42 H ILE 6 H ILE 6 15.974 0.870 -0.442 43 HA ILE 6 HA ILE 6 16.284 -2.022 0.006 44 HB ILE 6 HB ILE 6 18.355 0.159 -0.215 45 HG12 ILE 6 1HG1 ILE 6 19.162 -1.558 -2.008 46 HG13 ILE 6 2HG1 ILE 6 17.515 -2.173 -1.908 47 HG21 ILE 6 1HG2 ILE 6 18.508 -2.549 0.966 48 HG22 ILE 6 2HG2 ILE 6 19.845 -2.049 -0.068 49 HG23 ILE 6 3HG2 ILE 6 19.420 -1.090 1.350 50 HD11 ILE 6 3HD1 ILE 6 18.294 -0.268 -3.619 51 HD12 ILE 6 1HD1 ILE 6 16.652 -0.404 -2.992 52 HD13 ILE 6 2HD1 ILE 6 17.783 0.736 -2.262 53 H VAL 7 H VAL 7 16.561 -2.818 2.021 54 HA VAL 7 HA VAL 7 16.332 -0.910 4.240 55 HB VAL 7 HB VAL 7 14.576 -2.544 4.250 56 HG11 VAL 7 1HG1 VAL 7 15.098 -4.975 4.451 57 HG12 VAL 7 2HG1 VAL 7 15.530 -4.271 2.891 58 HG13 VAL 7 3HG1 VAL 7 16.782 -4.593 4.092 59 HG21 VAL 7 3HG2 VAL 7 16.639 -3.257 6.335 60 HG22 VAL 7 1HG2 VAL 7 15.497 -1.916 6.426 61 HG23 VAL 7 2HG2 VAL 7 14.908 -3.578 6.439 62 H LYS 8 H LYS 8 17.885 -0.693 5.740 63 HA LYS 8 HA LYS 8 20.100 -2.630 5.746 64 HB2 LYS 8 1HB LYS 8 20.483 -0.301 4.586 65 HB3 LYS 8 2HB LYS 8 20.630 0.274 6.242 66 HG2 LYS 8 1HG LYS 8 22.589 -0.840 6.605 67 HG3 LYS 8 2HG LYS 8 22.216 -2.105 5.432 68 HD2 LYS 8 1HD LYS 8 23.955 -0.827 4.472 69 HD3 LYS 8 2HD LYS 8 22.480 -0.328 3.642 70 HE2 LYS 8 1HE LYS 8 22.330 1.615 5.164 71 HE3 LYS 8 2HE LYS 8 23.859 1.130 5.894 72 HZ1 LYS 8 3HZ LYS 8 24.109 1.280 3.077 73 HZ2 LYS 8 1HZ LYS 8 24.965 2.121 4.269 74 HZ3 LYS 8 2HZ LYS 8 23.505 2.740 3.682 75 H TRP 9 H TRP 9 18.440 -3.253 7.541 76 HA TRP 9 HA TRP 9 18.516 -1.700 9.946 77 HB2 TRP 9 1HB TRP 9 16.605 -3.142 9.447 78 HB3 TRP 9 2HB TRP 9 17.649 -4.561 9.476 79 HD1 TRP 9 HD1 TRP 9 17.235 -1.676 12.053 80 HE1 TRP 9 HE1 TRP 9 16.804 -2.739 14.357 81 HE3 TRP 9 HE3 TRP 9 17.202 -6.601 10.681 82 HZ2 TRP 9 HZ2 TRP 9 16.491 -5.324 15.448 83 HZ3 TRP 9 HZ3 TRP 9 16.831 -8.306 12.416 84 HH2 TRP 9 HH2 TRP 9 16.484 -7.679 14.750 85 H GLY 10 H GLY 10 19.624 -2.127 11.860 86 HA2 GLY 10 1HA GLY 10 22.272 -2.955 11.654 87 HA3 GLY 10 2HA GLY 10 21.386 -2.808 13.164 88 H GLY 11 H GLY 11 22.753 -4.946 10.877 89 HA2 GLY 11 1HA GLY 11 23.333 -7.164 11.746 90 HA3 GLY 11 2HA GLY 11 21.720 -7.231 12.440 91 H GLN 12 H GLN 12 20.666 -5.963 9.900 92 HA GLN 12 HA GLN 12 21.048 -8.133 7.987 93 HB2 GLN 12 1HB GLN 12 18.434 -7.440 9.307 94 HB3 GLN 12 2HB GLN 12 18.491 -8.217 7.731 95 HG2 GLN 12 1HG GLN 12 19.651 -9.304 10.287 96 HG3 GLN 12 2HG GLN 12 18.170 -9.845 9.498 97 HE21 GLN 12 2HE2 GLN 12 18.457 -10.595 7.216 98 HE22 GLN 12 1HE2 GLN 12 19.862 -11.537 6.866 99 H GLU 13 H GLU 13 21.284 -7.316 6.019 100 HA GLU 13 HA GLU 13 20.005 -4.732 5.411 101 HB2 GLU 13 1HB GLU 13 22.391 -4.392 5.651 102 HB3 GLU 13 2HB GLU 13 22.727 -5.725 4.555 103 HG2 GLU 13 1HG GLU 13 21.858 -4.516 2.697 104 HG3 GLU 13 2HG GLU 13 21.242 -3.240 3.745 105 H TYR 14 H TYR 14 18.225 -5.818 4.476 106 HA TYR 14 HA TYR 14 18.766 -7.457 2.113 107 HB2 TYR 14 1HB TYR 14 16.888 -7.696 4.121 108 HB3 TYR 14 2HB TYR 14 15.958 -7.002 2.799 109 HD1 TYR 14 HD1 TYR 14 18.663 -9.578 3.046 110 HD2 TYR 14 HD2 TYR 14 14.770 -8.595 1.641 111 HE1 TYR 14 HE1 TYR 14 18.479 -11.804 2.016 112 HE2 TYR 14 HE2 TYR 14 14.574 -10.818 0.608 113 HH TYR 14 HH TYR 14 16.584 -12.621 -0.269 114 H SER 15 H SER 15 17.144 -7.095 0.265 115 HA SER 15 HA SER 15 16.964 -4.199 -0.259 116 HB2 SER 15 1HB SER 15 17.320 -4.690 -2.624 117 HB3 SER 15 2HB SER 15 18.641 -5.360 -1.667 118 HG SER 15 HG SER 15 16.393 -6.797 -2.641 119 H VAL 16 H VAL 16 14.910 -3.596 -0.032 120 HA VAL 16 HA VAL 16 12.745 -5.415 -0.718 121 HB VAL 16 HB VAL 16 12.452 -2.592 0.292 122 HG11 VAL 16 1HG1 VAL 16 10.492 -4.312 1.325 123 HG12 VAL 16 2HG1 VAL 16 10.289 -3.061 0.096 124 HG13 VAL 16 3HG1 VAL 16 10.647 -4.721 -0.383 125 HG21 VAL 16 3HG2 VAL 16 12.831 -5.116 1.902 126 HG22 VAL 16 1HG2 VAL 16 13.925 -3.734 1.832 127 HG23 VAL 16 2HG2 VAL 16 12.328 -3.559 2.562 128 H THR 17 H THR 17 14.081 -4.836 -2.982 129 HA THR 17 HA THR 17 12.973 -2.553 -4.337 130 HB THR 17 HB THR 17 15.188 -3.295 -4.971 131 HG1 THR 17 HG1 THR 17 14.677 -3.711 -7.304 132 HG21 THR 17 3HG2 THR 17 14.184 -5.852 -4.657 133 HG22 THR 17 1HG2 THR 17 15.771 -5.431 -5.299 134 HG23 THR 17 2HG2 THR 17 14.420 -5.711 -6.398 135 H THR 18 H THR 18 11.654 -2.670 -6.253 136 HA THR 18 HA THR 18 9.443 -4.464 -5.933 137 HB THR 18 HB THR 18 9.089 -2.149 -6.670 138 HG1 THR 18 HG1 THR 18 7.468 -3.499 -7.318 139 HG21 THR 18 3HG2 THR 18 10.139 -2.839 -9.383 140 HG22 THR 18 1HG2 THR 18 11.249 -2.265 -8.140 141 HG23 THR 18 2HG2 THR 18 9.894 -1.256 -8.646 142 H LEU 19 H LEU 19 12.404 -4.808 -7.400 143 HA LEU 19 HA LEU 19 13.288 -6.428 -8.732 144 HB2 LEU 19 1HB LEU 19 10.600 -7.715 -8.988 145 HB3 LEU 19 2HB LEU 19 12.194 -8.466 -8.983 146 HG LEU 19 HG LEU 19 10.804 -7.282 -6.580 147 HD11 LEU 19 1HD1 LEU 19 10.115 -9.583 -7.771 148 HD12 LEU 19 2HD1 LEU 19 10.054 -9.337 -6.026 149 HD13 LEU 19 3HD1 LEU 19 11.435 -10.159 -6.752 150 HD21 LEU 19 3HD2 LEU 19 12.790 -8.881 -5.648 151 HD22 LEU 19 1HD2 LEU 19 12.915 -7.132 -5.833 152 HD23 LEU 19 2HD2 LEU 19 13.545 -8.198 -7.089 153 H SER 20 H SER 20 12.804 -7.577 -10.975 154 HA SER 20 HA SER 20 12.361 -5.460 -12.829 155 HB2 SER 20 1HB SER 20 12.951 -8.395 -13.089 156 HB3 SER 20 2HB SER 20 12.527 -7.440 -14.510 157 HG SER 20 HG SER 20 14.294 -6.103 -14.082 158 H GLU 21 H GLU 21 10.865 -5.681 -14.710 159 HA GLU 21 HA GLU 21 8.207 -5.744 -13.875 160 HB2 GLU 21 1HB GLU 21 7.636 -5.692 -16.280 161 HB3 GLU 21 2HB GLU 21 8.882 -4.526 -15.858 162 HG2 GLU 21 1HG GLU 21 9.852 -5.358 -17.710 163 HG3 GLU 21 2HG GLU 21 10.448 -6.562 -16.569 164 H ASP 22 H ASP 22 10.150 -8.219 -15.488 165 HA ASP 22 HA ASP 22 8.191 -10.089 -16.051 166 HB2 ASP 22 1HB ASP 22 10.591 -10.243 -16.725 167 HB3 ASP 22 2HB ASP 22 10.985 -10.708 -15.073 168 H ASP 23 H ASP 23 9.811 -9.405 -13.006 169 HA ASP 23 HA ASP 23 8.339 -11.558 -11.683 170 HB2 ASP 23 1HB ASP 23 10.487 -9.702 -10.634 171 HB3 ASP 23 2HB ASP 23 9.743 -11.012 -9.720 172 H THR 24 H THR 24 7.897 -10.674 -9.206 173 HA THR 24 HA THR 24 6.545 -8.104 -9.280 174 HB THR 24 HB THR 24 4.495 -9.440 -8.202 175 HG1 THR 24 HG1 THR 24 5.760 -11.250 -9.990 176 HG21 THR 24 3HG2 THR 24 3.346 -9.224 -10.317 177 HG22 THR 24 1HG2 THR 24 4.879 -9.182 -11.186 178 HG23 THR 24 2HG2 THR 24 4.437 -7.854 -10.113 179 H VAL 25 H VAL 25 5.431 -7.710 -7.088 180 HA VAL 25 HA VAL 25 7.363 -7.921 -5.058 181 HB VAL 25 HB VAL 25 4.436 -7.205 -4.935 182 HG11 VAL 25 1HG1 VAL 25 6.394 -7.630 -2.772 183 HG12 VAL 25 2HG1 VAL 25 5.439 -6.150 -2.672 184 HG13 VAL 25 3HG1 VAL 25 4.633 -7.717 -2.745 185 HG21 VAL 25 3HG2 VAL 25 5.497 -4.928 -4.447 186 HG22 VAL 25 1HG2 VAL 25 6.998 -5.644 -5.037 187 HG23 VAL 25 2HG2 VAL 25 5.595 -5.535 -6.100 188 H LEU 26 H LEU 26 4.664 -9.947 -5.931 189 HA LEU 26 HA LEU 26 4.220 -11.358 -3.597 190 HB2 LEU 26 1HB LEU 26 3.299 -13.087 -4.935 191 HB3 LEU 26 2HB LEU 26 2.946 -11.556 -5.734 192 HG LEU 26 HG LEU 26 5.144 -12.175 -7.081 193 HD11 LEU 26 1HD1 LEU 26 4.218 -14.914 -7.098 194 HD12 LEU 26 2HD1 LEU 26 4.850 -14.448 -5.520 195 HD13 LEU 26 3HD1 LEU 26 5.856 -14.276 -6.958 196 HD21 LEU 26 3HD2 LEU 26 2.556 -13.567 -7.722 197 HD22 LEU 26 1HD2 LEU 26 3.760 -12.927 -8.840 198 HD23 LEU 26 2HD2 LEU 26 2.770 -11.823 -7.885 199 H ASP 27 H ASP 27 6.773 -11.764 -5.990 200 HA ASP 27 HA ASP 27 7.829 -14.181 -5.001 201 HB2 ASP 27 1HB ASP 27 8.771 -12.017 -6.801 202 HB3 ASP 27 2HB ASP 27 10.009 -13.049 -6.091 203 H LEU 28 H LEU 28 9.320 -10.955 -4.701 204 HA LEU 28 HA LEU 28 11.146 -11.590 -2.728 205 HB2 LEU 28 1HB LEU 28 11.522 -9.329 -2.490 206 HB3 LEU 28 2HB LEU 28 10.828 -9.431 -4.108 207 HG LEU 28 HG LEU 28 8.591 -8.934 -2.756 208 HD11 LEU 28 1HD1 LEU 28 8.799 -7.891 -0.768 209 HD12 LEU 28 2HD1 LEU 28 10.338 -7.144 -1.195 210 HD13 LEU 28 3HD1 LEU 28 10.289 -8.829 -0.678 211 HD21 LEU 28 3HD2 LEU 28 10.167 -7.577 -4.505 212 HD22 LEU 28 1HD2 LEU 28 10.174 -6.492 -3.115 213 HD23 LEU 28 2HD2 LEU 28 8.645 -6.975 -3.849 214 H LYS 29 H LYS 29 7.744 -10.828 -2.436 215 HA LYS 29 HA LYS 29 7.563 -10.265 0.277 216 HB2 LYS 29 1HB LYS 29 5.652 -9.966 -1.143 217 HB3 LYS 29 2HB LYS 29 5.629 -11.673 -1.566 218 HG2 LYS 29 1HG LYS 29 4.821 -12.301 0.538 219 HG3 LYS 29 2HG LYS 29 5.244 -10.747 1.260 220 HD2 LYS 29 1HD LYS 29 3.563 -9.809 -0.518 221 HD3 LYS 29 2HD LYS 29 2.944 -11.462 -0.506 222 HE2 LYS 29 1HE LYS 29 3.378 -9.974 2.056 223 HE3 LYS 29 2HE LYS 29 1.917 -9.713 1.105 224 HZ1 LYS 29 3HZ LYS 29 1.233 -11.893 1.414 225 HZ2 LYS 29 1HZ LYS 29 1.874 -11.484 2.926 226 HZ3 LYS 29 2HZ LYS 29 2.773 -12.436 1.856 227 H GLN 30 H GLN 30 7.150 -13.436 -1.306 228 HA GLN 30 HA GLN 30 6.914 -14.927 1.056 229 HB2 GLN 30 1HB GLN 30 7.858 -15.718 -1.700 230 HB3 GLN 30 2HB GLN 30 7.592 -16.872 -0.399 231 HG2 GLN 30 1HG GLN 30 5.228 -15.975 -0.276 232 HG3 GLN 30 2HG GLN 30 5.569 -15.154 -1.798 233 HE21 GLN 30 2HE2 GLN 30 5.392 -16.257 -3.644 234 HE22 GLN 30 1HE2 GLN 30 5.084 -17.952 -3.761 235 H PHE 31 H PHE 31 9.705 -13.757 -0.682 236 HA PHE 31 HA PHE 31 11.641 -15.419 0.544 237 HB2 PHE 31 1HB PHE 31 11.674 -12.920 -1.063 238 HB3 PHE 31 2HB PHE 31 13.102 -13.261 -0.092 239 HD1 PHE 31 HD1 PHE 31 13.960 -15.769 -0.304 240 HD2 PHE 31 HD2 PHE 31 11.630 -13.711 -3.211 241 HE1 PHE 31 HE1 PHE 31 14.776 -17.308 -2.042 242 HE2 PHE 31 HE2 PHE 31 12.441 -15.247 -4.953 243 HZ PHE 31 HZ PHE 31 14.016 -17.049 -4.370 244 H LEU 32 H LEU 32 10.168 -12.365 1.439 245 HA LEU 32 HA LEU 32 11.977 -11.837 3.599 246 HB2 LEU 32 1HB LEU 32 9.269 -10.693 2.936 247 HB3 LEU 32 2HB LEU 32 10.316 -10.101 4.224 248 HG LEU 32 HG LEU 32 10.831 -9.981 1.256 249 HD11 LEU 32 1HD1 LEU 32 10.738 -7.677 3.160 250 HD12 LEU 32 2HD1 LEU 32 9.253 -8.337 2.475 251 HD13 LEU 32 3HD1 LEU 32 10.505 -7.695 1.411 252 HD21 LEU 32 3HD2 LEU 32 12.829 -8.560 2.184 253 HD22 LEU 32 1HD2 LEU 32 12.968 -10.311 2.025 254 HD23 LEU 32 2HD2 LEU 32 12.631 -9.593 3.600 255 H LYS 33 H LYS 33 8.916 -13.479 3.222 256 HA LYS 33 HA LYS 33 8.310 -13.643 6.007 257 HB2 LYS 33 1HB LYS 33 6.408 -13.924 4.740 258 HB3 LYS 33 2HB LYS 33 7.239 -14.861 3.505 259 HG2 LYS 33 1HG LYS 33 6.978 -16.074 6.196 260 HG3 LYS 33 2HG LYS 33 5.524 -15.951 5.204 261 HD2 LYS 33 1HD LYS 33 7.837 -16.927 3.723 262 HD3 LYS 33 2HD LYS 33 7.402 -17.963 5.084 263 HE2 LYS 33 1HE LYS 33 5.392 -16.986 3.070 264 HE3 LYS 33 2HE LYS 33 6.297 -18.485 2.862 265 HZ1 LYS 33 3HZ LYS 33 4.107 -17.882 4.662 266 HZ2 LYS 33 1HZ LYS 33 5.361 -18.794 5.338 267 HZ3 LYS 33 2HZ LYS 33 4.558 -19.352 3.958 268 H THR 34 H THR 34 10.112 -15.604 3.741 269 HA THR 34 HA THR 34 10.406 -17.780 5.646 270 HB THR 34 HB THR 34 10.150 -18.279 3.234 271 HG1 THR 34 HG1 THR 34 11.820 -19.824 3.211 272 HG21 THR 34 3HG2 THR 34 11.506 -16.267 2.499 273 HG22 THR 34 1HG2 THR 34 11.833 -17.773 1.643 274 HG23 THR 34 2HG2 THR 34 12.944 -17.209 2.891 275 H LEU 35 H LEU 35 12.180 -15.025 4.481 276 HA LEU 35 HA LEU 35 14.693 -15.903 5.615 277 HB2 LEU 35 1HB LEU 35 14.744 -14.592 3.596 278 HB3 LEU 35 2HB LEU 35 13.831 -13.298 4.369 279 HG LEU 35 HG LEU 35 15.993 -13.408 5.989 280 HD11 LEU 35 1HD1 LEU 35 17.756 -14.397 5.084 281 HD12 LEU 35 2HD1 LEU 35 17.579 -13.445 3.610 282 HD13 LEU 35 3HD1 LEU 35 16.727 -14.980 3.776 283 HD21 LEU 35 3HD2 LEU 35 15.356 -11.328 5.228 284 HD22 LEU 35 1HD2 LEU 35 15.356 -11.828 3.537 285 HD23 LEU 35 2HD2 LEU 35 16.884 -11.563 4.377 286 H THR 36 H THR 36 12.274 -13.392 6.295 287 HA THR 36 HA THR 36 13.486 -13.043 8.956 288 HB THR 36 HB THR 36 12.799 -10.836 9.011 289 HG1 THR 36 HG1 THR 36 10.856 -11.565 7.062 290 HG21 THR 36 3HG2 THR 36 14.466 -11.146 7.228 291 HG22 THR 36 1HG2 THR 36 13.383 -9.798 6.884 292 HG23 THR 36 2HG2 THR 36 13.164 -11.339 6.055 293 H GLY 37 H GLY 37 10.428 -13.469 7.231 294 HA2 GLY 37 1HA GLY 37 8.343 -14.109 7.958 295 HA3 GLY 37 2HA GLY 37 9.230 -15.112 9.096 296 H VAL 38 H VAL 38 9.524 -11.644 9.155 297 HA VAL 38 HA VAL 38 7.937 -11.600 11.640 298 HB VAL 38 HB VAL 38 10.336 -9.888 10.972 299 HG11 VAL 38 1HG1 VAL 38 10.152 -9.169 13.333 300 HG12 VAL 38 2HG1 VAL 38 8.766 -8.685 12.353 301 HG13 VAL 38 3HG1 VAL 38 8.633 -10.057 13.455 302 HG21 VAL 38 3HG2 VAL 38 10.943 -11.315 13.232 303 HG22 VAL 38 1HG2 VAL 38 10.060 -12.493 12.261 304 HG23 VAL 38 2HG2 VAL 38 11.491 -11.701 11.601 305 H LEU 39 H LEU 39 8.716 -9.993 8.636 306 HA LEU 39 HA LEU 39 7.529 -7.531 8.948 307 HB2 LEU 39 1HB LEU 39 8.023 -9.344 6.674 308 HB3 LEU 39 2HB LEU 39 6.817 -8.087 6.409 309 HG LEU 39 HG LEU 39 8.469 -6.372 6.916 310 HD11 LEU 39 1HD1 LEU 39 10.072 -8.723 7.720 311 HD12 LEU 39 2HD1 LEU 39 10.023 -7.095 8.394 312 HD13 LEU 39 3HD1 LEU 39 10.926 -7.408 6.912 313 HD21 LEU 39 3HD2 LEU 39 8.205 -7.382 4.606 314 HD22 LEU 39 1HD2 LEU 39 9.683 -8.285 4.940 315 HD23 LEU 39 2HD2 LEU 39 9.713 -6.521 4.919 316 HA PRO 40 HA PRO 40 3.263 -9.385 7.635 317 HB2 PRO 40 1HB PRO 40 3.048 -12.091 7.586 318 HB3 PRO 40 2HB PRO 40 3.550 -11.142 6.182 319 HG2 PRO 40 1HG PRO 40 5.229 -12.659 8.142 320 HG3 PRO 40 2HG PRO 40 5.372 -12.574 6.376 321 HD2 PRO 40 1HD PRO 40 6.950 -11.130 8.037 322 HD3 PRO 40 2HD PRO 40 6.457 -10.541 6.437 323 H GLU 41 H GLU 41 5.236 -10.366 10.195 324 HA GLU 41 HA GLU 41 3.005 -11.323 11.824 325 HB2 GLU 41 1HB GLU 41 5.981 -11.238 12.327 326 HB3 GLU 41 2HB GLU 41 4.806 -11.777 13.519 327 HG2 GLU 41 1HG GLU 41 5.003 -13.031 10.803 328 HG3 GLU 41 2HG GLU 41 5.999 -13.558 12.158 329 H ARG 42 H ARG 42 5.792 -9.280 12.657 330 HA ARG 42 HA ARG 42 4.176 -7.005 13.288 331 HB2 ARG 42 1HB ARG 42 4.553 -6.986 15.698 332 HB3 ARG 42 2HB ARG 42 3.653 -8.422 15.225 333 HG2 ARG 42 1HG ARG 42 5.849 -9.660 15.248 334 HG3 ARG 42 2HG ARG 42 6.545 -8.230 16.013 335 HD2 ARG 42 1HD ARG 42 4.083 -9.504 17.139 336 HD3 ARG 42 2HD ARG 42 5.673 -10.180 17.489 337 HE ARG 42 HE ARG 42 4.552 -7.757 18.542 338 HH11 ARG 42 1HH1 ARG 42 7.503 -9.443 17.786 339 HH12 ARG 42 2HH1 ARG 42 8.452 -8.566 18.940 340 HH21 ARG 42 1HH2 ARG 42 5.792 -6.595 20.064 341 HH22 ARG 42 2HH2 ARG 42 7.478 -6.947 20.236 342 H GLN 43 H GLN 43 5.385 -5.205 13.205 343 HA GLN 43 HA GLN 43 8.084 -5.050 14.059 344 HB2 GLN 43 1HB GLN 43 9.275 -4.979 12.048 345 HB3 GLN 43 2HB GLN 43 8.195 -6.352 11.842 346 HG2 GLN 43 1HG GLN 43 7.951 -3.609 10.646 347 HG3 GLN 43 2HG GLN 43 8.169 -5.148 9.814 348 HE21 GLN 43 2HE2 GLN 43 6.020 -2.857 10.167 349 HE22 GLN 43 1HE2 GLN 43 4.546 -3.757 10.178 350 H LYS 44 H LYS 44 9.059 -2.951 12.687 351 HA LYS 44 HA LYS 44 6.983 -0.919 12.469 352 HB2 LYS 44 1HB LYS 44 9.201 -0.850 14.512 353 HB3 LYS 44 2HB LYS 44 8.354 0.599 13.987 354 HG2 LYS 44 1HG LYS 44 6.311 -0.142 14.896 355 HG3 LYS 44 2HG LYS 44 6.918 -1.785 15.115 356 HD2 LYS 44 1HD LYS 44 6.844 -0.623 17.246 357 HD3 LYS 44 2HD LYS 44 8.516 -0.953 16.789 358 HE2 LYS 44 1HE LYS 44 8.984 1.257 16.388 359 HE3 LYS 44 2HE LYS 44 7.310 1.653 16.002 360 HZ1 LYS 44 3HZ LYS 44 6.753 1.844 18.211 361 HZ2 LYS 44 1HZ LYS 44 8.333 2.449 18.222 362 HZ3 LYS 44 2HZ LYS 44 8.028 0.870 18.746 363 H LEU 45 H LEU 45 7.392 -0.138 10.504 364 HA LEU 45 HA LEU 45 10.180 0.542 9.835 365 HB2 LEU 45 1HB LEU 45 8.125 -0.017 7.739 366 HB3 LEU 45 2HB LEU 45 9.882 -0.108 7.631 367 HG LEU 45 HG LEU 45 7.997 -2.093 8.882 368 HD11 LEU 45 1HD1 LEU 45 8.120 -2.653 6.668 369 HD12 LEU 45 2HD1 LEU 45 9.508 -3.543 7.294 370 HD13 LEU 45 3HD1 LEU 45 9.747 -1.999 6.477 371 HD21 LEU 45 3HD2 LEU 45 10.544 -3.155 9.023 372 HD22 LEU 45 1HD2 LEU 45 9.587 -2.546 10.374 373 HD23 LEU 45 2HD2 LEU 45 10.751 -1.491 9.573 374 H LEU 46 H LEU 46 10.337 2.298 8.163 375 HA LEU 46 HA LEU 46 9.229 4.657 9.057 376 HB2 LEU 46 1HB LEU 46 10.499 3.807 6.504 377 HB3 LEU 46 2HB LEU 46 9.711 5.383 6.565 378 HG LEU 46 HG LEU 46 12.058 5.672 6.958 379 HD11 LEU 46 1HD1 LEU 46 10.356 6.963 8.318 380 HD12 LEU 46 2HD1 LEU 46 11.998 6.912 8.959 381 HD13 LEU 46 3HD1 LEU 46 10.748 5.881 9.655 382 HD21 LEU 46 3HD2 LEU 46 12.757 3.522 7.664 383 HD22 LEU 46 1HD2 LEU 46 11.688 3.556 9.066 384 HD23 LEU 46 2HD2 LEU 46 13.094 4.620 9.003 385 H GLY 47 H GLY 47 7.961 2.377 6.712 386 HA2 GLY 47 1HA GLY 47 5.302 3.106 7.032 387 HA3 GLY 47 2HA GLY 47 5.911 4.047 5.679 388 H LEU 48 H LEU 48 7.784 1.855 4.933 389 HA LEU 48 HA LEU 48 6.131 0.558 3.055 390 HB2 LEU 48 1HB LEU 48 8.373 0.803 2.452 391 HB3 LEU 48 2HB LEU 48 8.950 0.145 3.982 392 HG LEU 48 HG LEU 48 8.092 -2.090 3.244 393 HD11 LEU 48 1HD1 LEU 48 8.055 -1.924 0.522 394 HD12 LEU 48 2HD1 LEU 48 7.200 -0.455 0.991 395 HD13 LEU 48 3HD1 LEU 48 6.629 -2.026 1.554 396 HD21 LEU 48 3HD2 LEU 48 9.984 -1.381 1.124 397 HD22 LEU 48 1HD2 LEU 48 10.126 -2.560 2.428 398 HD23 LEU 48 2HD2 LEU 48 10.467 -0.857 2.738 399 H LYS 49 H LYS 49 5.349 -1.529 2.938 400 HA LYS 49 HA LYS 49 4.400 -3.447 3.710 401 HB2 LYS 49 1HB LYS 49 7.020 -3.377 5.159 402 HB3 LYS 49 2HB LYS 49 5.849 -4.629 5.550 403 HG2 LYS 49 1HG LYS 49 6.449 -4.222 2.685 404 HG3 LYS 49 2HG LYS 49 7.728 -4.920 3.681 405 HD2 LYS 49 1HD LYS 49 6.183 -6.662 4.440 406 HD3 LYS 49 2HD LYS 49 4.904 -5.961 3.445 407 HE2 LYS 49 1HE LYS 49 5.895 -6.634 1.468 408 HE3 LYS 49 2HE LYS 49 7.501 -6.737 2.188 409 HZ1 LYS 49 3HZ LYS 49 5.796 -8.822 1.734 410 HZ2 LYS 49 1HZ LYS 49 5.662 -8.555 3.399 411 HZ3 LYS 49 2HZ LYS 49 7.177 -8.858 2.711 412 H VAL 50 H VAL 50 2.824 -1.774 4.606 413 HA VAL 50 HA VAL 50 2.833 -1.417 7.469 414 HB VAL 50 HB VAL 50 1.932 0.368 6.117 415 HG11 VAL 50 1HG1 VAL 50 -0.258 -0.024 4.905 416 HG12 VAL 50 2HG1 VAL 50 1.181 -0.727 4.164 417 HG13 VAL 50 3HG1 VAL 50 0.067 -1.748 5.074 418 HG21 VAL 50 3HG2 VAL 50 0.905 -0.291 8.379 419 HG22 VAL 50 1HG2 VAL 50 0.005 0.827 7.353 420 HG23 VAL 50 2HG2 VAL 50 -0.464 -0.872 7.431 421 H LYS 51 H LYS 51 1.450 -2.349 8.953 422 HA LYS 51 HA LYS 51 0.530 -4.994 8.308 423 HB2 LYS 51 1HB LYS 51 1.551 -4.068 10.540 424 HB3 LYS 51 2HB LYS 51 -0.113 -3.617 10.890 425 HG2 LYS 51 1HG LYS 51 0.243 -5.722 11.892 426 HG3 LYS 51 2HG LYS 51 -0.740 -6.013 10.455 427 HD2 LYS 51 1HD LYS 51 1.303 -6.643 9.223 428 HD3 LYS 51 2HD LYS 51 2.242 -6.417 10.700 429 HE2 LYS 51 1HE LYS 51 1.875 -8.668 10.815 430 HE3 LYS 51 2HE LYS 51 0.451 -8.090 11.678 431 HZ1 LYS 51 3HZ LYS 51 -0.894 -8.430 9.797 432 HZ2 LYS 51 1HZ LYS 51 0.057 -9.824 9.920 433 HZ3 LYS 51 2HZ LYS 51 0.432 -8.643 8.769 434 H GLY 52 H GLY 52 -1.638 -5.773 8.664 435 HA2 GLY 52 1HA GLY 52 -3.941 -5.651 8.586 436 HA3 GLY 52 2HA GLY 52 -3.818 -3.943 8.980 437 H LYS 53 H LYS 53 -1.860 -4.556 6.371 438 HA LYS 53 HA LYS 53 -3.613 -4.755 4.210 439 HB2 LYS 53 1HB LYS 53 -3.450 -2.292 3.478 440 HB3 LYS 53 2HB LYS 53 -4.640 -2.711 4.703 441 HG2 LYS 53 1HG LYS 53 -3.283 -1.822 6.441 442 HG3 LYS 53 2HG LYS 53 -1.911 -1.626 5.348 443 HD2 LYS 53 1HD LYS 53 -2.903 0.524 5.659 444 HD3 LYS 53 2HD LYS 53 -3.302 -0.017 4.027 445 HE2 LYS 53 1HE LYS 53 -5.235 0.991 5.135 446 HE3 LYS 53 2HE LYS 53 -5.510 -0.715 4.785 447 HZ1 LYS 53 3HZ LYS 53 -5.164 -1.277 7.039 448 HZ2 LYS 53 1HZ LYS 53 -6.215 0.049 7.045 449 HZ3 LYS 53 2HZ LYS 53 -4.581 0.263 7.424 450 HA PRO 54 HA PRO 54 0.973 -4.884 3.416 451 HB2 PRO 54 1HB PRO 54 0.962 -7.378 2.344 452 HB3 PRO 54 2HB PRO 54 1.121 -7.078 4.079 453 HG2 PRO 54 1HG PRO 54 -1.305 -7.855 2.506 454 HG3 PRO 54 2HG PRO 54 -0.748 -8.461 4.077 455 HD2 PRO 54 1HD PRO 54 -2.717 -6.617 3.842 456 HD3 PRO 54 2HD PRO 54 -1.597 -6.648 5.219 457 H ALA 55 H ALA 55 2.016 -4.733 1.411 458 HA ALA 55 HA ALA 55 0.664 -3.581 -0.689 459 HB1 ALA 55 1HB ALA 55 2.643 -3.850 -1.994 460 HB2 ALA 55 2HB ALA 55 3.137 -3.574 -0.323 461 HB3 ALA 55 3HB ALA 55 3.183 -5.202 -0.998 462 H GLU 56 H GLU 56 0.321 -4.369 -2.901 463 HA GLU 56 HA GLU 56 -0.948 -6.993 -2.844 464 HB2 GLU 56 1HB GLU 56 -2.055 -4.871 -3.751 465 HB3 GLU 56 2HB GLU 56 -0.982 -5.036 -5.134 466 HG2 GLU 56 1HG GLU 56 -2.019 -6.953 -5.884 467 HG3 GLU 56 2HG GLU 56 -2.686 -7.337 -4.298 468 H ASN 57 H ASN 57 -0.627 -8.539 -4.551 469 HA ASN 57 HA ASN 57 2.111 -8.987 -5.128 470 HB2 ASN 57 1HB ASN 57 1.196 -10.875 -6.555 471 HB3 ASN 57 2HB ASN 57 0.727 -10.903 -4.858 472 HD21 ASN 57 2HD2 ASN 57 -1.396 -10.320 -4.289 473 HD22 ASN 57 1HD2 ASN 57 -2.680 -10.380 -5.444 474 H ASP 58 H ASP 58 -0.580 -7.699 -6.982 475 HA ASP 58 HA ASP 58 0.493 -7.777 -9.543 476 HB2 ASP 58 1HB ASP 58 -1.463 -5.966 -8.176 477 HB3 ASP 58 2HB ASP 58 -0.912 -5.574 -9.802 478 H VAL 59 H VAL 59 1.298 -5.747 -6.851 479 HA VAL 59 HA VAL 59 2.433 -3.536 -8.036 480 HB VAL 59 HB VAL 59 3.476 -5.035 -5.629 481 HG11 VAL 59 1HG1 VAL 59 3.966 -2.197 -6.527 482 HG12 VAL 59 2HG1 VAL 59 4.487 -2.889 -4.989 483 HG13 VAL 59 3HG1 VAL 59 5.149 -3.505 -6.504 484 HG21 VAL 59 3HG2 VAL 59 1.593 -2.684 -5.783 485 HG22 VAL 59 1HG2 VAL 59 1.113 -4.351 -5.464 486 HG23 VAL 59 2HG2 VAL 59 2.144 -3.495 -4.318 487 H LYS 60 H LYS 60 4.178 -3.135 -9.246 488 HA LYS 60 HA LYS 60 6.476 -4.874 -9.234 489 HB2 LYS 60 1HB LYS 60 6.332 -5.160 -11.776 490 HB3 LYS 60 2HB LYS 60 5.292 -6.178 -10.788 491 HG2 LYS 60 1HG LYS 60 3.482 -5.405 -11.798 492 HG3 LYS 60 2HG LYS 60 3.937 -3.737 -11.446 493 HD2 LYS 60 1HD LYS 60 4.882 -3.421 -13.491 494 HD3 LYS 60 2HD LYS 60 5.407 -5.100 -13.627 495 HE2 LYS 60 1HE LYS 60 3.740 -4.959 -15.230 496 HE3 LYS 60 2HE LYS 60 2.881 -5.619 -13.839 497 HZ1 LYS 60 3HZ LYS 60 2.957 -2.709 -14.308 498 HZ2 LYS 60 1HZ LYS 60 1.828 -3.617 -13.434 499 HZ3 LYS 60 2HZ LYS 60 1.837 -3.680 -15.124 500 H LEU 61 H LEU 61 8.073 -4.087 -11.012 501 HA LEU 61 HA LEU 61 8.784 -1.469 -10.485 502 HB2 LEU 61 1HB LEU 61 10.440 -2.881 -11.352 503 HB3 LEU 61 2HB LEU 61 9.455 -3.323 -12.744 504 HG LEU 61 HG LEU 61 9.785 -1.084 -13.684 505 HD11 LEU 61 1HD1 LEU 61 10.471 -0.392 -11.080 506 HD12 LEU 61 2HD1 LEU 61 10.565 0.633 -12.512 507 HD13 LEU 61 3HD1 LEU 61 11.979 -0.282 -11.988 508 HD21 LEU 61 3HD2 LEU 61 12.278 -1.291 -14.055 509 HD22 LEU 61 1HD2 LEU 61 11.315 -2.718 -14.440 510 HD23 LEU 61 2HD2 LEU 61 12.239 -2.657 -12.939 511 H GLY 62 H GLY 62 6.940 -2.749 -13.233 512 HA2 GLY 62 1HA GLY 62 6.713 -0.350 -14.674 513 HA3 GLY 62 2HA GLY 62 5.601 -1.707 -14.777 514 H ALA 63 H ALA 63 5.285 -1.262 -11.714 515 HA ALA 63 HA ALA 63 3.031 0.563 -12.006 516 HB1 ALA 63 1HB ALA 63 3.845 -1.193 -9.693 517 HB2 ALA 63 2HB ALA 63 2.364 -0.239 -9.787 518 HB3 ALA 63 3HB ALA 63 2.628 -1.571 -10.913 519 H LEU 64 H LEU 64 5.219 0.094 -9.246 520 HA LEU 64 HA LEU 64 5.006 2.633 -8.201 521 HB2 LEU 64 1HB LEU 64 7.520 0.978 -8.135 522 HB3 LEU 64 2HB LEU 64 7.004 2.187 -6.961 523 HG LEU 64 HG LEU 64 6.452 0.320 -5.800 524 HD11 LEU 64 1HD1 LEU 64 4.160 0.076 -5.756 525 HD12 LEU 64 2HD1 LEU 64 4.008 0.166 -7.510 526 HD13 LEU 64 3HD1 LEU 64 4.343 1.625 -6.578 527 HD21 LEU 64 3HD2 LEU 64 7.060 -0.979 -8.141 528 HD22 LEU 64 1HD2 LEU 64 5.370 -1.411 -7.882 529 HD23 LEU 64 2HD2 LEU 64 6.568 -1.750 -6.632 530 H LYS 65 H LYS 65 7.565 1.441 -10.376 531 HA LYS 65 HA LYS 65 8.966 2.513 -11.811 532 HB2 LYS 65 1HB LYS 65 6.905 4.723 -11.702 533 HB3 LYS 65 2HB LYS 65 8.141 4.516 -12.936 534 HG2 LYS 65 1HG LYS 65 7.078 2.681 -13.876 535 HG3 LYS 65 2HG LYS 65 6.126 2.366 -12.423 536 HD2 LYS 65 1HD LYS 65 4.716 3.302 -14.164 537 HD3 LYS 65 2HD LYS 65 4.864 4.440 -12.823 538 HE2 LYS 65 1HE LYS 65 6.206 5.886 -14.028 539 HE3 LYS 65 2HE LYS 65 6.742 4.626 -15.139 540 HZ1 LYS 65 3HZ LYS 65 4.711 6.464 -15.536 541 HZ2 LYS 65 1HZ LYS 65 3.946 4.967 -15.342 542 HZ3 LYS 65 2HZ LYS 65 5.129 5.164 -16.535 543 H LEU 66 H LEU 66 9.061 2.993 -8.842 544 HA LEU 66 HA LEU 66 10.254 5.649 -8.692 545 HB2 LEU 66 1HB LEU 66 9.162 3.706 -6.794 546 HB3 LEU 66 2HB LEU 66 10.626 4.512 -6.235 547 HG LEU 66 HG LEU 66 8.530 6.280 -7.322 548 HD11 LEU 66 1HD1 LEU 66 8.152 5.046 -4.606 549 HD12 LEU 66 2HD1 LEU 66 7.284 4.501 -6.041 550 HD13 LEU 66 3HD1 LEU 66 7.078 6.154 -5.462 551 HD21 LEU 66 3HD2 LEU 66 10.457 6.275 -5.021 552 HD22 LEU 66 1HD2 LEU 66 9.178 7.481 -5.160 553 HD23 LEU 66 2HD2 LEU 66 10.406 7.349 -6.420 554 H LYS 67 H LYS 67 12.286 5.619 -7.111 555 HA LYS 67 HA LYS 67 14.187 3.667 -8.238 556 HB2 LYS 67 1HB LYS 67 15.900 5.347 -8.171 557 HB3 LYS 67 2HB LYS 67 14.506 6.026 -9.002 558 HG2 LYS 67 1HG LYS 67 13.870 7.228 -6.983 559 HG3 LYS 67 2HG LYS 67 15.242 6.524 -6.123 560 HD2 LYS 67 1HD LYS 67 16.039 8.615 -6.746 561 HD3 LYS 67 2HD LYS 67 16.660 7.564 -8.022 562 HE2 LYS 67 1HE LYS 67 14.016 8.915 -8.357 563 HE3 LYS 67 2HE LYS 67 15.503 9.821 -8.631 564 HZ1 LYS 67 3HZ LYS 67 14.356 7.622 -10.173 565 HZ2 LYS 67 1HZ LYS 67 16.044 7.694 -10.069 566 HZ3 LYS 67 2HZ LYS 67 15.179 9.002 -10.703 567 HA PRO 68 HA PRO 68 15.203 2.345 -4.177 568 HB2 PRO 68 1HB PRO 68 17.828 1.719 -4.477 569 HB3 PRO 68 2HB PRO 68 16.523 0.742 -5.161 570 HG2 PRO 68 1HG PRO 68 18.250 2.794 -6.491 571 HG3 PRO 68 2HG PRO 68 17.736 1.206 -7.090 572 HD2 PRO 68 1HD PRO 68 16.548 3.511 -7.868 573 HD3 PRO 68 2HD PRO 68 15.661 1.979 -7.730 574 H ASN 69 H ASN 69 16.528 5.145 -5.529 575 HA ASN 69 HA ASN 69 18.475 5.887 -3.664 576 HB2 ASN 69 1HB ASN 69 17.661 6.995 -5.928 577 HB3 ASN 69 2HB ASN 69 16.682 7.969 -4.836 578 HD21 ASN 69 2HD2 ASN 69 18.503 9.219 -6.351 579 HD22 ASN 69 1HD2 ASN 69 19.839 9.751 -5.394 580 H THR 70 H THR 70 15.004 5.921 -3.491 581 HA THR 70 HA THR 70 14.527 7.772 -1.494 582 HB THR 70 HB THR 70 12.674 6.720 -2.607 583 HG1 THR 70 HG1 THR 70 12.546 5.774 0.067 584 HG21 THR 70 3HG2 THR 70 12.108 4.400 -2.383 585 HG22 THR 70 1HG2 THR 70 13.406 4.143 -1.218 586 HG23 THR 70 2HG2 THR 70 13.791 4.499 -2.902 587 H LYS 71 H LYS 71 15.528 4.389 -1.188 588 HA LYS 71 HA LYS 71 16.505 3.244 0.519 589 HB2 LYS 71 1HB LYS 71 17.306 5.980 0.914 590 HB3 LYS 71 2HB LYS 71 17.069 5.200 2.472 591 HG2 LYS 71 1HG LYS 71 18.703 3.581 2.038 592 HG3 LYS 71 2HG LYS 71 18.715 3.934 0.309 593 HD2 LYS 71 1HD LYS 71 20.478 5.240 0.715 594 HD3 LYS 71 2HD LYS 71 19.351 6.358 1.488 595 HE2 LYS 71 1HE LYS 71 20.612 4.072 2.977 596 HE3 LYS 71 2HE LYS 71 21.404 5.640 2.827 597 HZ1 LYS 71 3HZ LYS 71 19.389 4.867 4.622 598 HZ2 LYS 71 1HZ LYS 71 18.773 6.092 3.632 599 HZ3 LYS 71 2HZ LYS 71 20.190 6.353 4.517 600 H ILE 72 H ILE 72 15.788 2.165 2.304 601 HA ILE 72 HA ILE 72 13.577 3.374 3.823 602 HB ILE 72 HB ILE 72 12.638 1.799 2.183 603 HG12 ILE 72 1HG1 ILE 72 11.932 2.054 4.748 604 HG13 ILE 72 2HG1 ILE 72 11.103 0.953 3.652 605 HG21 ILE 72 1HG2 ILE 72 14.401 0.270 1.816 606 HG22 ILE 72 2HG2 ILE 72 14.492 -0.149 3.526 607 HG23 ILE 72 3HG2 ILE 72 13.102 -0.657 2.567 608 HD11 ILE 72 3HD1 ILE 72 11.812 0.120 5.982 609 HD12 ILE 72 1HD1 ILE 72 12.090 -0.916 4.582 610 HD13 ILE 72 2HD1 ILE 72 13.423 0.008 5.276 611 H MET 73 H MET 73 13.413 2.776 5.983 612 HA MET 73 HA MET 73 15.655 1.180 7.034 613 HB2 MET 73 1HB MET 73 14.849 3.903 7.643 614 HB3 MET 73 2HB MET 73 14.873 2.897 9.085 615 HG2 MET 73 1HG MET 73 17.188 2.912 7.194 616 HG3 MET 73 2HG MET 73 17.000 4.175 8.409 617 HE1 MET 73 3HE MET 73 17.481 2.851 11.643 618 HE2 MET 73 1HE MET 73 18.920 3.394 10.778 619 HE3 MET 73 2HE MET 73 17.367 4.179 10.487 620 H MET 74 H MET 74 15.207 -0.304 8.601 621 HA MET 74 HA MET 74 12.388 -0.542 9.426 622 HB2 MET 74 1HB MET 74 14.366 -2.716 8.737 623 HB3 MET 74 2HB MET 74 12.828 -3.021 9.533 624 HG2 MET 74 1HG MET 74 11.759 -1.847 7.541 625 HG3 MET 74 2HG MET 74 13.327 -2.017 6.755 626 HE1 MET 74 3HE MET 74 11.588 -2.791 5.157 627 HE2 MET 74 1HE MET 74 12.232 -4.353 4.652 628 HE3 MET 74 2HE MET 74 10.597 -4.243 5.304 629 H MET 75 H MET 75 11.956 -1.135 11.541 630 HA MET 75 HA MET 75 14.239 -1.485 13.345 631 HB2 MET 75 1HB MET 75 13.655 0.905 13.383 632 HB3 MET 75 2HB MET 75 11.997 0.493 13.799 633 HG2 MET 75 1HG MET 75 12.705 -0.419 15.912 634 HG3 MET 75 2HG MET 75 14.397 -0.164 15.489 635 HE1 MET 75 3HE MET 75 14.023 0.817 18.092 636 HE2 MET 75 1HE MET 75 15.380 1.524 17.215 637 HE3 MET 75 2HE MET 75 14.292 2.560 18.139 638 H GLY 76 H GLY 76 13.767 -2.585 15.286 639 HA2 GLY 76 1HA GLY 76 12.754 -4.270 16.476 640 HA3 GLY 76 2HA GLY 76 11.292 -3.318 16.266 641 H THR 77 H THR 77 13.267 -5.059 13.882 642 HA THR 77 HA THR 77 10.833 -6.445 13.006 643 HB THR 77 HB THR 77 13.364 -6.626 11.443 644 HG1 THR 77 HG1 THR 77 11.674 -4.343 11.289 645 HG21 THR 77 3HG2 THR 77 10.799 -5.930 10.181 646 HG22 THR 77 1HG2 THR 77 10.821 -7.481 11.020 647 HG23 THR 77 2HG2 THR 77 11.986 -7.156 9.737 648 H ARG 78 H ARG 78 12.044 -7.367 15.364 649 HA ARG 78 HA ARG 78 12.672 -10.088 14.554 650 HB2 ARG 78 1HB ARG 78 14.857 -8.863 14.763 651 HB3 ARG 78 2HB ARG 78 14.482 -8.603 16.462 652 HG2 ARG 78 1HG ARG 78 14.764 -10.826 17.004 653 HG3 ARG 78 2HG ARG 78 14.475 -11.372 15.350 654 HD2 ARG 78 1HD ARG 78 16.873 -9.728 16.118 655 HD3 ARG 78 2HD ARG 78 16.868 -11.490 16.199 656 HE ARG 78 HE ARG 78 16.028 -10.519 13.648 657 HH11 ARG 78 1HH1 ARG 78 18.814 -11.188 15.626 658 HH12 ARG 78 2HH1 ARG 78 19.875 -11.430 14.279 659 HH21 ARG 78 1HH2 ARG 78 17.416 -10.836 11.866 660 HH22 ARG 78 2HH2 ARG 78 19.079 -11.229 12.140 661 H GLU 79 H GLU 79 12.516 -11.623 16.323 662 HA GLU 79 HA GLU 79 10.458 -10.826 18.205 663 HB2 GLU 79 1HB GLU 79 11.721 -13.546 17.842 664 HB3 GLU 79 2HB GLU 79 10.219 -13.181 18.680 665 HG2 GLU 79 1HG GLU 79 9.189 -12.504 16.592 666 HG3 GLU 79 2HG GLU 79 10.701 -12.793 15.734 667 H GLU 80 H GLU 80 12.434 -9.401 19.043 668 HA GLU 80 HA GLU 80 14.069 -10.859 20.960 669 HB2 GLU 80 1HB GLU 80 14.797 -8.846 19.457 670 HB3 GLU 80 2HB GLU 80 14.040 -7.873 20.710 671 HG2 GLU 80 1HG GLU 80 16.303 -9.821 21.085 672 HG3 GLU 80 2HG GLU 80 16.415 -8.062 21.102 673 H SER 81 H SER 81 12.942 -11.468 22.714 674 HA SER 81 HA SER 81 11.765 -9.359 24.354 675 HB2 SER 81 1HB SER 81 9.884 -11.193 24.819 676 HB3 SER 81 2HB SER 81 9.726 -10.010 23.521 677 HG SER 81 HG SER 81 9.311 -12.161 22.819 Start of MODEL 6 1 H1 MET 1 H MET 1 3.470 2.483 -1.744 2 HA MET 1 HA MET 1 3.662 0.738 0.519 3 HB2 MET 1 1HB MET 1 1.129 1.195 0.045 4 HB3 MET 1 2HB MET 1 1.371 0.088 -1.299 5 HG2 MET 1 1HG MET 1 1.728 -1.718 0.069 6 HG3 MET 1 2HG MET 1 2.257 -0.722 1.424 7 HE1 MET 1 3HE MET 1 -2.108 -1.421 0.134 8 HE2 MET 1 1HE MET 1 -1.087 -0.305 -0.775 9 HE3 MET 1 2HE MET 1 -0.670 -2.016 -0.698 10 H ALA 2 H ALA 2 4.908 -0.958 0.011 11 HA ALA 2 HA ALA 2 6.169 -2.421 -1.194 12 HB1 ALA 2 1HB ALA 2 5.095 -2.959 -3.556 13 HB2 ALA 2 2HB ALA 2 4.410 -3.584 -2.055 14 HB3 ALA 2 3HB ALA 2 3.701 -2.164 -2.823 15 H LEU 3 H LEU 3 7.486 -0.273 -1.205 16 HA LEU 3 HA LEU 3 7.953 0.602 -3.972 17 HB2 LEU 3 1HB LEU 3 9.049 1.887 -1.487 18 HB3 LEU 3 2HB LEU 3 8.938 2.570 -3.108 19 HG LEU 3 HG LEU 3 7.262 3.688 -1.986 20 HD11 LEU 3 1HD1 LEU 3 5.612 1.339 -2.818 21 HD12 LEU 3 2HD1 LEU 3 6.495 2.278 -4.020 22 HD13 LEU 3 3HD1 LEU 3 5.285 3.062 -3.005 23 HD21 LEU 3 3HD2 LEU 3 5.678 1.763 -0.675 24 HD22 LEU 3 1HD2 LEU 3 6.674 3.026 0.048 25 HD23 LEU 3 2HD2 LEU 3 7.354 1.424 -0.241 26 HA PRO 4 HA PRO 4 11.736 -1.655 -4.094 27 HB2 PRO 4 1HB PRO 4 12.966 -0.281 -6.087 28 HB3 PRO 4 2HB PRO 4 11.631 -1.403 -6.376 29 HG2 PRO 4 1HG PRO 4 11.585 1.583 -6.176 30 HG3 PRO 4 2HG PRO 4 10.753 0.526 -7.331 31 HD2 PRO 4 1HD PRO 4 9.506 1.607 -5.183 32 HD3 PRO 4 2HD PRO 4 9.068 0.017 -5.842 33 H MET 5 H MET 5 12.440 -0.937 -1.974 34 HA MET 5 HA MET 5 14.637 1.003 -2.167 35 HB2 MET 5 1HB MET 5 13.137 0.872 0.395 36 HB3 MET 5 2HB MET 5 13.977 2.226 -0.347 37 HG2 MET 5 1HG MET 5 12.133 2.377 -2.008 38 HG3 MET 5 2HG MET 5 11.277 1.137 -1.095 39 HE1 MET 5 3HE MET 5 9.153 2.389 0.620 40 HE2 MET 5 1HE MET 5 10.416 1.210 0.974 41 HE3 MET 5 2HE MET 5 10.168 2.586 2.050 42 H ILE 6 H ILE 6 16.123 0.814 -0.216 43 HA ILE 6 HA ILE 6 16.470 -2.041 0.416 44 HB ILE 6 HB ILE 6 18.502 0.175 0.183 45 HG12 ILE 6 1HG1 ILE 6 19.478 -1.615 -1.426 46 HG13 ILE 6 2HG1 ILE 6 17.865 -2.319 -1.370 47 HG21 ILE 6 1HG2 ILE 6 20.160 -1.664 0.707 48 HG22 ILE 6 2HG2 ILE 6 19.211 -1.060 2.064 49 HG23 ILE 6 3HG2 ILE 6 18.790 -2.597 1.309 50 HD11 ILE 6 3HD1 ILE 6 17.877 0.548 -1.905 51 HD12 ILE 6 1HD1 ILE 6 18.703 -0.417 -3.128 52 HD13 ILE 6 2HD1 ILE 6 17.021 -0.761 -2.721 53 H VAL 7 H VAL 7 16.767 -2.704 2.498 54 HA VAL 7 HA VAL 7 16.202 -0.708 4.572 55 HB VAL 7 HB VAL 7 16.127 -3.718 4.806 56 HG11 VAL 7 1HG1 VAL 7 16.416 -2.133 6.858 57 HG12 VAL 7 2HG1 VAL 7 14.699 -1.813 6.607 58 HG13 VAL 7 3HG1 VAL 7 15.254 -3.457 6.922 59 HG21 VAL 7 3HG2 VAL 7 14.486 -2.725 3.169 60 HG22 VAL 7 1HG2 VAL 7 13.774 -3.625 4.508 61 HG23 VAL 7 2HG2 VAL 7 13.771 -1.862 4.531 62 H LYS 8 H LYS 8 17.636 -0.188 6.111 63 HA LYS 8 HA LYS 8 20.000 -1.879 6.493 64 HB2 LYS 8 1HB LYS 8 20.219 1.119 6.265 65 HB3 LYS 8 2HB LYS 8 21.524 -0.058 6.322 66 HG2 LYS 8 1HG LYS 8 20.345 -0.932 4.122 67 HG3 LYS 8 2HG LYS 8 19.780 0.739 4.060 68 HD2 LYS 8 1HD LYS 8 22.674 -0.013 4.420 69 HD3 LYS 8 2HD LYS 8 21.938 0.266 2.840 70 HE2 LYS 8 1HE LYS 8 21.242 2.528 3.678 71 HE3 LYS 8 2HE LYS 8 22.226 2.228 5.109 72 HZ1 LYS 8 3HZ LYS 8 23.041 3.140 2.570 73 HZ2 LYS 8 1HZ LYS 8 23.814 1.672 2.901 74 HZ3 LYS 8 2HZ LYS 8 23.962 2.967 3.978 75 H TRP 9 H TRP 9 18.161 -2.146 8.282 76 HA TRP 9 HA TRP 9 18.381 -0.156 10.384 77 HB2 TRP 9 1HB TRP 9 16.211 -1.251 9.906 78 HB3 TRP 9 2HB TRP 9 16.909 -2.800 10.370 79 HD1 TRP 9 HD1 TRP 9 15.981 -3.442 12.659 80 HE1 TRP 9 HE1 TRP 9 15.545 -2.227 14.886 81 HE3 TRP 9 HE3 TRP 9 17.300 1.298 11.270 82 HZ2 TRP 9 HZ2 TRP 9 15.735 0.394 15.917 83 HZ3 TRP 9 HZ3 TRP 9 17.144 3.102 12.936 84 HH2 TRP 9 HH2 TRP 9 16.377 2.657 15.211 85 H GLY 10 H GLY 10 19.209 -0.560 12.466 86 HA2 GLY 10 1HA GLY 10 21.633 -1.910 12.600 87 HA3 GLY 10 2HA GLY 10 20.686 -1.422 13.998 88 H GLY 11 H GLY 11 21.840 -4.030 12.166 89 HA2 GLY 11 1HA GLY 11 21.836 -6.177 13.384 90 HA3 GLY 11 2HA GLY 11 20.138 -5.878 13.724 91 H GLN 12 H GLN 12 19.564 -4.881 11.045 92 HA GLN 12 HA GLN 12 20.034 -7.236 9.374 93 HB2 GLN 12 1HB GLN 12 17.267 -6.085 9.688 94 HB3 GLN 12 2HB GLN 12 17.735 -7.577 8.882 95 HG2 GLN 12 1HG GLN 12 16.872 -8.385 10.836 96 HG3 GLN 12 2HG GLN 12 18.581 -8.257 11.252 97 HE21 GLN 12 2HE2 GLN 12 17.564 -8.310 13.437 98 HE22 GLN 12 1HE2 GLN 12 17.114 -6.798 14.142 99 H GLU 13 H GLU 13 20.527 -6.694 7.350 100 HA GLU 13 HA GLU 13 19.674 -4.056 6.358 101 HB2 GLU 13 1HB GLU 13 22.055 -4.001 6.981 102 HB3 GLU 13 2HB GLU 13 22.364 -5.361 5.911 103 HG2 GLU 13 1HG GLU 13 21.978 -4.085 3.989 104 HG3 GLU 13 2HG GLU 13 21.191 -2.797 4.899 105 H TYR 14 H TYR 14 17.923 -5.452 5.477 106 HA TYR 14 HA TYR 14 18.695 -7.155 3.244 107 HB2 TYR 14 1HB TYR 14 16.650 -7.316 5.064 108 HB3 TYR 14 2HB TYR 14 15.831 -6.646 3.657 109 HD1 TYR 14 HD1 TYR 14 18.494 -9.232 4.147 110 HD2 TYR 14 HD2 TYR 14 14.700 -8.268 2.480 111 HE1 TYR 14 HE1 TYR 14 18.362 -11.482 3.161 112 HE2 TYR 14 HE2 TYR 14 14.557 -10.515 1.490 113 HH TYR 14 HH TYR 14 15.855 -12.962 2.286 114 H SER 15 H SER 15 16.906 -6.888 1.353 115 HA SER 15 HA SER 15 16.787 -4.045 0.621 116 HB2 SER 15 1HB SER 15 17.453 -4.679 -1.710 117 HB3 SER 15 2HB SER 15 18.737 -4.901 -0.521 118 HG SER 15 HG SER 15 18.759 -6.934 -1.013 119 H VAL 16 H VAL 16 14.620 -3.792 0.753 120 HA VAL 16 HA VAL 16 12.814 -5.781 -0.333 121 HB VAL 16 HB VAL 16 11.030 -4.172 0.373 122 HG11 VAL 16 1HG1 VAL 16 12.031 -4.302 2.919 123 HG12 VAL 16 2HG1 VAL 16 11.173 -5.602 2.089 124 HG13 VAL 16 3HG1 VAL 16 12.937 -5.567 2.089 125 HG21 VAL 16 3HG2 VAL 16 12.393 -2.124 0.154 126 HG22 VAL 16 1HG2 VAL 16 11.621 -2.261 1.734 127 HG23 VAL 16 2HG2 VAL 16 13.337 -2.628 1.556 128 H THR 17 H THR 17 14.214 -5.139 -2.433 129 HA THR 17 HA THR 17 13.295 -2.838 -3.858 130 HB THR 17 HB THR 17 15.504 -3.896 -4.285 131 HG1 THR 17 HG1 THR 17 15.217 -3.840 -6.653 132 HG21 THR 17 3HG2 THR 17 13.818 -6.076 -5.518 133 HG22 THR 17 1HG2 THR 17 14.908 -6.234 -4.141 134 HG23 THR 17 2HG2 THR 17 15.558 -5.904 -5.747 135 H THR 18 H THR 18 12.545 -3.390 -6.276 136 HA THR 18 HA THR 18 10.013 -4.820 -5.945 137 HB THR 18 HB THR 18 9.931 -2.502 -6.802 138 HG1 THR 18 HG1 THR 18 8.365 -4.142 -7.449 139 HG21 THR 18 3HG2 THR 18 11.426 -3.658 -9.157 140 HG22 THR 18 1HG2 THR 18 12.026 -2.442 -8.031 141 HG23 THR 18 2HG2 THR 18 10.686 -2.059 -9.111 142 H LEU 19 H LEU 19 13.072 -5.383 -7.144 143 HA LEU 19 HA LEU 19 13.974 -7.089 -8.350 144 HB2 LEU 19 1HB LEU 19 11.246 -8.282 -8.678 145 HB3 LEU 19 2HB LEU 19 12.805 -9.097 -8.589 146 HG LEU 19 HG LEU 19 11.600 -7.667 -6.233 147 HD11 LEU 19 1HD1 LEU 19 11.445 -10.596 -6.308 148 HD12 LEU 19 2HD1 LEU 19 10.360 -9.764 -7.421 149 HD13 LEU 19 3HD1 LEU 19 10.294 -9.410 -5.694 150 HD21 LEU 19 3HD2 LEU 19 13.885 -9.536 -6.695 151 HD22 LEU 19 1HD2 LEU 19 13.076 -9.504 -5.127 152 HD23 LEU 19 2HD2 LEU 19 13.827 -8.040 -5.762 153 H SER 20 H SER 20 13.187 -8.497 -10.536 154 HA SER 20 HA SER 20 13.218 -6.490 -12.569 155 HB2 SER 20 1HB SER 20 14.201 -8.980 -12.484 156 HB3 SER 20 2HB SER 20 12.668 -9.326 -13.286 157 HG SER 20 HG SER 20 14.160 -7.167 -14.227 158 H GLU 21 H GLU 21 11.711 -6.451 -14.405 159 HA GLU 21 HA GLU 21 9.069 -6.036 -13.584 160 HB2 GLU 21 1HB GLU 21 8.565 -5.582 -15.853 161 HB3 GLU 21 2HB GLU 21 10.228 -5.061 -15.616 162 HG2 GLU 21 1HG GLU 21 9.375 -7.665 -16.861 163 HG3 GLU 21 2HG GLU 21 9.913 -6.234 -17.738 164 H ASP 22 H ASP 22 10.669 -8.859 -14.873 165 HA ASP 22 HA ASP 22 8.357 -10.335 -15.563 166 HB2 ASP 22 1HB ASP 22 11.199 -11.104 -14.938 167 HB3 ASP 22 2HB ASP 22 9.971 -12.326 -15.259 168 H ASP 23 H ASP 23 10.082 -9.845 -12.564 169 HA ASP 23 HA ASP 23 8.553 -11.900 -11.189 170 HB2 ASP 23 1HB ASP 23 10.590 -9.932 -10.123 171 HB3 ASP 23 2HB ASP 23 9.886 -11.271 -9.220 172 H THR 24 H THR 24 8.011 -10.920 -8.766 173 HA THR 24 HA THR 24 6.589 -8.398 -8.998 174 HB THR 24 HB THR 24 4.547 -9.743 -7.918 175 HG1 THR 24 HG1 THR 24 6.043 -11.617 -9.379 176 HG21 THR 24 3HG2 THR 24 3.658 -8.709 -9.683 177 HG22 THR 24 1HG2 THR 24 4.112 -10.104 -10.660 178 HG23 THR 24 2HG2 THR 24 5.203 -8.724 -10.534 179 H VAL 25 H VAL 25 5.423 -7.913 -6.865 180 HA VAL 25 HA VAL 25 7.307 -8.042 -4.767 181 HB VAL 25 HB VAL 25 4.384 -7.282 -4.699 182 HG11 VAL 25 1HG1 VAL 25 4.854 -7.757 -2.474 183 HG12 VAL 25 2HG1 VAL 25 6.521 -7.193 -2.602 184 HG13 VAL 25 3HG1 VAL 25 5.193 -6.031 -2.591 185 HG21 VAL 25 3HG2 VAL 25 6.741 -5.957 -5.661 186 HG22 VAL 25 1HG2 VAL 25 5.061 -5.422 -5.709 187 HG23 VAL 25 2HG2 VAL 25 6.060 -5.063 -4.302 188 H LEU 26 H LEU 26 4.712 -10.121 -5.705 189 HA LEU 26 HA LEU 26 4.102 -11.362 -3.280 190 HB2 LEU 26 1HB LEU 26 3.179 -13.137 -4.561 191 HB3 LEU 26 2HB LEU 26 2.877 -11.635 -5.432 192 HG LEU 26 HG LEU 26 5.097 -12.361 -6.695 193 HD11 LEU 26 1HD1 LEU 26 5.715 -14.498 -6.538 194 HD12 LEU 26 2HD1 LEU 26 4.049 -15.075 -6.568 195 HD13 LEU 26 3HD1 LEU 26 4.768 -14.535 -5.050 196 HD21 LEU 26 3HD2 LEU 26 3.545 -13.637 -8.292 197 HD22 LEU 26 1HD2 LEU 26 3.170 -11.949 -7.944 198 HD23 LEU 26 2HD2 LEU 26 2.264 -13.235 -7.148 199 H ASP 27 H ASP 27 6.727 -11.921 -5.555 200 HA ASP 27 HA ASP 27 7.685 -14.328 -4.450 201 HB2 ASP 27 1HB ASP 27 8.756 -12.238 -6.268 202 HB3 ASP 27 2HB ASP 27 9.934 -13.284 -5.481 203 H LEU 28 H LEU 28 9.310 -11.166 -4.213 204 HA LEU 28 HA LEU 28 11.001 -11.782 -2.129 205 HB2 LEU 28 1HB LEU 28 11.377 -9.486 -1.870 206 HB3 LEU 28 2HB LEU 28 10.948 -9.697 -3.567 207 HG LEU 28 HG LEU 28 8.533 -9.085 -2.610 208 HD11 LEU 28 1HD1 LEU 28 9.778 -7.049 -1.021 209 HD12 LEU 28 2HD1 LEU 28 10.179 -8.644 -0.385 210 HD13 LEU 28 3HD1 LEU 28 8.491 -8.175 -0.589 211 HD21 LEU 28 3HD2 LEU 28 10.790 -7.414 -3.596 212 HD22 LEU 28 1HD2 LEU 28 9.318 -6.612 -3.047 213 HD23 LEU 28 2HD2 LEU 28 9.243 -7.790 -4.358 214 H LYS 29 H LYS 29 7.643 -10.747 -2.004 215 HA LYS 29 HA LYS 29 7.381 -10.133 0.680 216 HB2 LYS 29 1HB LYS 29 5.563 -9.757 -0.856 217 HB3 LYS 29 2HB LYS 29 5.427 -11.478 -1.190 218 HG2 LYS 29 1HG LYS 29 4.638 -11.901 1.042 219 HG3 LYS 29 2HG LYS 29 4.907 -10.216 1.493 220 HD2 LYS 29 1HD LYS 29 3.091 -9.465 0.297 221 HD3 LYS 29 2HD LYS 29 3.134 -10.826 -0.827 222 HE2 LYS 29 1HE LYS 29 2.538 -11.367 2.039 223 HE3 LYS 29 2HE LYS 29 1.280 -10.633 1.045 224 HZ1 LYS 29 3HZ LYS 29 1.568 -12.489 -0.532 225 HZ2 LYS 29 1HZ LYS 29 1.043 -12.999 0.994 226 HZ3 LYS 29 2HZ LYS 29 2.658 -13.213 0.540 227 H GLN 30 H GLN 30 6.827 -13.311 -0.844 228 HA GLN 30 HA GLN 30 6.354 -14.739 1.504 229 HB2 GLN 30 1HB GLN 30 7.357 -15.525 -1.214 230 HB3 GLN 30 2HB GLN 30 7.255 -16.715 0.077 231 HG2 GLN 30 1HG GLN 30 4.874 -15.040 -0.546 232 HG3 GLN 30 2HG GLN 30 5.286 -16.389 -1.603 233 HE21 GLN 30 2HE2 GLN 30 3.749 -15.444 1.232 234 HE22 GLN 30 1HE2 GLN 30 3.435 -17.012 1.887 235 H PHE 31 H PHE 31 9.358 -13.827 -0.059 236 HA PHE 31 HA PHE 31 11.072 -15.510 1.430 237 HB2 PHE 31 1HB PHE 31 11.401 -13.118 -0.303 238 HB3 PHE 31 2HB PHE 31 12.720 -13.491 0.802 239 HD1 PHE 31 HD2 PHE 31 10.518 -15.184 -1.686 240 HD2 PHE 31 HD1 PHE 31 14.380 -14.902 0.080 241 HE1 PHE 31 HE2 PHE 31 11.360 -16.869 -3.268 242 HE2 PHE 31 HE1 PHE 31 15.229 -16.587 -1.499 243 HZ PHE 31 HZ PHE 31 13.718 -17.573 -3.176 244 H LEU 32 H LEU 32 9.738 -12.319 2.016 245 HA LEU 32 HA LEU 32 11.396 -11.688 4.240 246 HB2 LEU 32 1HB LEU 32 8.703 -10.632 3.397 247 HB3 LEU 32 2HB LEU 32 9.666 -9.959 4.711 248 HG LEU 32 HG LEU 32 10.340 -9.964 1.773 249 HD11 LEU 32 1HD1 LEU 32 10.405 -7.438 3.164 250 HD12 LEU 32 2HD1 LEU 32 8.828 -8.211 3.316 251 HD13 LEU 32 3HD1 LEU 32 9.510 -7.906 1.718 252 HD21 LEU 32 3HD2 LEU 32 12.377 -10.356 2.980 253 HD22 LEU 32 1HD2 LEU 32 11.983 -9.092 4.146 254 HD23 LEU 32 2HD2 LEU 32 12.343 -8.667 2.472 255 H LYS 33 H LYS 33 8.356 -13.376 3.848 256 HA LYS 33 HA LYS 33 7.649 -13.404 6.608 257 HB2 LYS 33 1HB LYS 33 6.779 -15.353 4.471 258 HB3 LYS 33 2HB LYS 33 5.954 -14.999 5.983 259 HG2 LYS 33 1HG LYS 33 5.200 -12.938 5.238 260 HG3 LYS 33 2HG LYS 33 6.420 -12.840 3.967 261 HD2 LYS 33 1HD LYS 33 4.636 -13.410 2.678 262 HD3 LYS 33 2HD LYS 33 5.150 -15.034 3.141 263 HE2 LYS 33 1HE LYS 33 3.237 -13.585 4.904 264 HE3 LYS 33 2HE LYS 33 2.640 -14.257 3.387 265 HZ1 LYS 33 3HZ LYS 33 3.511 -16.422 4.069 266 HZ2 LYS 33 1HZ LYS 33 2.371 -15.836 5.174 267 HZ3 LYS 33 2HZ LYS 33 4.020 -15.765 5.542 268 H THR 34 H THR 34 9.534 -15.500 4.522 269 HA THR 34 HA THR 34 9.818 -17.523 6.588 270 HB THR 34 HB THR 34 11.214 -18.721 4.953 271 HG1 THR 34 HG1 THR 34 10.662 -16.520 3.225 272 HG21 THR 34 3HG2 THR 34 8.569 -17.679 3.946 273 HG22 THR 34 1HG2 THR 34 8.872 -19.171 4.836 274 HG23 THR 34 2HG2 THR 34 9.451 -19.000 3.178 275 H LEU 35 H LEU 35 11.562 -14.810 5.307 276 HA LEU 35 HA LEU 35 14.078 -15.569 6.508 277 HB2 LEU 35 1HB LEU 35 14.105 -14.323 4.443 278 HB3 LEU 35 2HB LEU 35 13.160 -13.028 5.174 279 HG LEU 35 HG LEU 35 15.301 -13.014 6.806 280 HD11 LEU 35 1HD1 LEU 35 16.147 -14.301 4.273 281 HD12 LEU 35 2HD1 LEU 35 16.769 -14.499 5.911 282 HD13 LEU 35 3HD1 LEU 35 17.210 -13.077 4.967 283 HD21 LEU 35 3HD2 LEU 35 14.559 -11.012 5.862 284 HD22 LEU 35 1HD2 LEU 35 14.786 -11.596 4.214 285 HD23 LEU 35 2HD2 LEU 35 16.187 -11.211 5.213 286 H THR 36 H THR 36 11.573 -13.120 7.083 287 HA THR 36 HA THR 36 12.716 -12.697 9.767 288 HB THR 36 HB THR 36 12.137 -10.472 9.732 289 HG1 THR 36 HG1 THR 36 10.300 -10.878 7.599 290 HG21 THR 36 3HG2 THR 36 13.783 -10.897 7.946 291 HG22 THR 36 1HG2 THR 36 12.760 -9.506 7.589 292 HG23 THR 36 2HG2 THR 36 12.464 -11.048 6.785 293 H GLY 37 H GLY 37 9.714 -13.044 7.922 294 HA2 GLY 37 1HA GLY 37 7.576 -13.580 8.580 295 HA3 GLY 37 2HA GLY 37 8.382 -14.640 9.726 296 H VAL 38 H VAL 38 8.824 -11.188 9.848 297 HA VAL 38 HA VAL 38 7.176 -11.113 12.293 298 HB VAL 38 HB VAL 38 9.513 -10.878 12.871 299 HG11 VAL 38 1HG1 VAL 38 11.006 -9.827 11.601 300 HG12 VAL 38 2HG1 VAL 38 9.722 -9.566 10.419 301 HG13 VAL 38 3HG1 VAL 38 10.070 -8.334 11.633 302 HG21 VAL 38 3HG2 VAL 38 7.567 -9.281 13.749 303 HG22 VAL 38 1HG2 VAL 38 9.231 -9.148 14.317 304 HG23 VAL 38 2HG2 VAL 38 8.635 -8.054 13.069 305 H LEU 39 H LEU 39 7.896 -9.667 9.243 306 HA LEU 39 HA LEU 39 6.776 -7.116 9.637 307 HB2 LEU 39 1HB LEU 39 6.577 -8.521 7.011 308 HB3 LEU 39 2HB LEU 39 6.936 -6.829 7.350 309 HG LEU 39 HG LEU 39 8.800 -9.182 7.633 310 HD11 LEU 39 1HD1 LEU 39 8.500 -8.406 5.352 311 HD12 LEU 39 2HD1 LEU 39 10.106 -7.981 5.943 312 HD13 LEU 39 3HD1 LEU 39 8.846 -6.750 5.851 313 HD21 LEU 39 3HD2 LEU 39 10.200 -6.781 7.965 314 HD22 LEU 39 1HD2 LEU 39 9.898 -8.026 9.178 315 HD23 LEU 39 2HD2 LEU 39 8.790 -6.663 9.017 316 HA PRO 40 HA PRO 40 2.692 -9.082 7.907 317 HB2 PRO 40 1HB PRO 40 2.518 -11.789 8.027 318 HB3 PRO 40 2HB PRO 40 3.155 -10.928 6.620 319 HG2 PRO 40 1HG PRO 40 4.635 -12.273 8.848 320 HG3 PRO 40 2HG PRO 40 4.964 -12.306 7.106 321 HD2 PRO 40 1HD PRO 40 6.337 -10.720 8.819 322 HD3 PRO 40 2HD PRO 40 6.010 -10.253 7.138 323 H GLU 41 H GLU 41 4.404 -9.916 10.717 324 HA GLU 41 HA GLU 41 2.028 -10.793 12.168 325 HB2 GLU 41 1HB GLU 41 4.913 -10.536 13.034 326 HB3 GLU 41 2HB GLU 41 3.612 -11.122 14.060 327 HG2 GLU 41 1HG GLU 41 4.323 -12.414 11.445 328 HG3 GLU 41 2HG GLU 41 5.070 -12.870 12.975 329 H ARG 42 H ARG 42 4.651 -8.527 12.999 330 HA ARG 42 HA ARG 42 2.921 -6.299 13.326 331 HB2 ARG 42 1HB ARG 42 3.181 -6.101 15.809 332 HB3 ARG 42 2HB ARG 42 2.136 -7.417 15.293 333 HG2 ARG 42 1HG ARG 42 4.042 -8.977 15.592 334 HG3 ARG 42 2HG ARG 42 4.980 -7.635 16.249 335 HD2 ARG 42 1HD ARG 42 2.434 -8.799 17.367 336 HD3 ARG 42 2HD ARG 42 4.049 -8.909 18.066 337 HE ARG 42 HE ARG 42 3.592 -6.235 17.896 338 HH11 ARG 42 1HH1 ARG 42 1.870 -8.912 19.307 339 HH12 ARG 42 2HH1 ARG 42 1.165 -7.961 20.572 340 HH21 ARG 42 1HH2 ARG 42 2.670 -4.973 19.558 341 HH22 ARG 42 2HH2 ARG 42 1.621 -5.720 20.713 342 H GLN 43 H GLN 43 4.113 -4.517 13.103 343 HA GLN 43 HA GLN 43 6.678 -4.180 14.296 344 HB2 GLN 43 1HB GLN 43 8.109 -4.297 12.465 345 HB3 GLN 43 2HB GLN 43 7.052 -5.681 12.220 346 HG2 GLN 43 1HG GLN 43 7.076 -3.062 10.771 347 HG3 GLN 43 2HG GLN 43 7.237 -4.692 10.119 348 HE21 GLN 43 2HE2 GLN 43 5.246 -2.180 10.168 349 HE22 GLN 43 1HE2 GLN 43 3.715 -2.972 10.057 350 H LYS 44 H LYS 44 7.776 -2.166 12.987 351 HA LYS 44 HA LYS 44 5.685 -0.233 12.313 352 HB2 LYS 44 1HB LYS 44 7.860 0.455 14.284 353 HB3 LYS 44 2HB LYS 44 6.439 1.404 13.866 354 HG2 LYS 44 1HG LYS 44 5.740 0.561 15.850 355 HG3 LYS 44 2HG LYS 44 5.191 -0.740 14.790 356 HD2 LYS 44 1HD LYS 44 6.810 -2.188 15.503 357 HD3 LYS 44 2HD LYS 44 7.955 -0.897 15.873 358 HE2 LYS 44 1HE LYS 44 7.391 -1.550 17.991 359 HE3 LYS 44 2HE LYS 44 6.172 -0.305 17.719 360 HZ1 LYS 44 3HZ LYS 44 5.839 -3.243 17.590 361 HZ2 LYS 44 1HZ LYS 44 4.703 -2.180 16.925 362 HZ3 LYS 44 2HZ LYS 44 5.028 -2.140 18.584 363 H LEU 45 H LEU 45 6.386 -0.143 10.201 364 HA LEU 45 HA LEU 45 9.153 0.755 9.760 365 HB2 LEU 45 1HB LEU 45 7.296 -0.272 7.639 366 HB3 LEU 45 2HB LEU 45 9.052 -0.141 7.589 367 HG LEU 45 HG LEU 45 7.371 -2.182 9.017 368 HD11 LEU 45 1HD1 LEU 45 9.250 -2.136 6.724 369 HD12 LEU 45 2HD1 LEU 45 7.765 -3.058 6.958 370 HD13 LEU 45 3HD1 LEU 45 9.252 -3.564 7.759 371 HD21 LEU 45 3HD2 LEU 45 9.981 -2.865 9.517 372 HD22 LEU 45 1HD2 LEU 45 8.865 -2.144 10.677 373 HD23 LEU 45 2HD2 LEU 45 9.980 -1.120 9.771 374 H LEU 46 H LEU 46 9.383 2.215 7.791 375 HA LEU 46 HA LEU 46 7.925 4.589 8.245 376 HB2 LEU 46 1HB LEU 46 9.947 3.675 6.268 377 HB3 LEU 46 2HB LEU 46 9.022 5.128 5.893 378 HG LEU 46 HG LEU 46 9.903 6.281 7.767 379 HD11 LEU 46 1HD1 LEU 46 10.669 3.557 8.680 380 HD12 LEU 46 2HD1 LEU 46 9.948 4.891 9.579 381 HD13 LEU 46 3HD1 LEU 46 11.665 4.925 9.178 382 HD21 LEU 46 3HD2 LEU 46 11.387 6.025 5.781 383 HD22 LEU 46 1HD2 LEU 46 12.190 4.693 6.613 384 HD23 LEU 46 2HD2 LEU 46 12.249 6.320 7.291 385 H GLY 47 H GLY 47 8.130 2.872 5.127 386 HA2 GLY 47 1HA GLY 47 5.230 3.322 4.805 387 HA3 GLY 47 2HA GLY 47 6.359 3.701 3.513 388 H LEU 48 H LEU 48 8.032 1.564 3.488 389 HA LEU 48 HA LEU 48 6.522 -0.376 2.110 390 HB2 LEU 48 1HB LEU 48 8.881 0.085 1.647 391 HB3 LEU 48 2HB LEU 48 9.317 -0.567 3.225 392 HG LEU 48 HG LEU 48 9.664 -2.030 1.134 393 HD11 LEU 48 1HD1 LEU 48 8.257 -3.843 2.781 394 HD12 LEU 48 2HD1 LEU 48 8.957 -2.611 3.830 395 HD13 LEU 48 3HD1 LEU 48 9.991 -3.526 2.734 396 HD21 LEU 48 3HD2 LEU 48 6.717 -2.503 1.566 397 HD22 LEU 48 1HD2 LEU 48 7.768 -3.315 0.406 398 HD23 LEU 48 2HD2 LEU 48 7.400 -1.601 0.212 399 H LYS 49 H LYS 49 5.322 -1.976 2.871 400 HA LYS 49 HA LYS 49 4.473 -3.602 4.216 401 HB2 LYS 49 1HB LYS 49 7.353 -3.658 4.711 402 HB3 LYS 49 2HB LYS 49 6.412 -4.253 6.073 403 HG2 LYS 49 1HG LYS 49 7.113 -6.024 4.498 404 HG3 LYS 49 2HG LYS 49 5.363 -5.915 4.702 405 HD2 LYS 49 1HD LYS 49 5.054 -5.468 2.537 406 HD3 LYS 49 2HD LYS 49 6.309 -4.227 2.542 407 HE2 LYS 49 1HE LYS 49 8.022 -5.923 2.264 408 HE3 LYS 49 2HE LYS 49 6.807 -7.197 2.352 409 HZ1 LYS 49 3HZ LYS 49 7.077 -6.966 0.103 410 HZ2 LYS 49 1HZ LYS 49 7.351 -5.298 0.178 411 HZ3 LYS 49 2HZ LYS 49 5.783 -5.907 0.361 412 H VAL 50 H VAL 50 2.961 -2.235 5.191 413 HA VAL 50 HA VAL 50 3.708 -1.204 7.848 414 HB VAL 50 HB VAL 50 1.674 0.254 7.624 415 HG11 VAL 50 1HG1 VAL 50 3.035 1.358 5.424 416 HG12 VAL 50 2HG1 VAL 50 3.238 1.752 7.133 417 HG13 VAL 50 3HG1 VAL 50 4.244 0.509 6.387 418 HG21 VAL 50 3HG2 VAL 50 0.656 -1.197 5.818 419 HG22 VAL 50 1HG2 VAL 50 0.601 0.543 5.536 420 HG23 VAL 50 2HG2 VAL 50 1.796 -0.448 4.700 421 H LYS 51 H LYS 51 1.790 -1.117 9.390 422 HA LYS 51 HA LYS 51 0.561 -3.765 9.423 423 HB2 LYS 51 1HB LYS 51 1.756 -3.065 11.430 424 HB3 LYS 51 2HB LYS 51 0.748 -1.630 11.555 425 HG2 LYS 51 1HG LYS 51 -0.016 -3.244 13.141 426 HG3 LYS 51 2HG LYS 51 -1.224 -3.102 11.861 427 HD2 LYS 51 1HD LYS 51 -0.176 -5.113 10.783 428 HD3 LYS 51 2HD LYS 51 0.809 -5.296 12.236 429 HE2 LYS 51 1HE LYS 51 -1.333 -5.364 13.550 430 HE3 LYS 51 2HE LYS 51 -2.192 -5.443 12.013 431 HZ1 LYS 51 3HZ LYS 51 -0.222 -7.415 13.036 432 HZ2 LYS 51 1HZ LYS 51 -0.927 -7.471 11.499 433 HZ3 LYS 51 2HZ LYS 51 -1.890 -7.644 12.879 434 H GLY 52 H GLY 52 -1.603 -4.135 9.347 435 HA2 GLY 52 1HA GLY 52 -3.885 -3.618 9.402 436 HA3 GLY 52 2HA GLY 52 -3.473 -1.915 9.543 437 H LYS 53 H LYS 53 -1.644 -3.181 7.096 438 HA LYS 53 HA LYS 53 -3.432 -3.402 4.952 439 HB2 LYS 53 1HB LYS 53 -2.996 -1.198 3.848 440 HB3 LYS 53 2HB LYS 53 -3.999 -1.097 5.288 441 HG2 LYS 53 1HG LYS 53 -1.704 -0.627 6.469 442 HG3 LYS 53 2HG LYS 53 -1.217 -0.146 4.842 443 HD2 LYS 53 1HD LYS 53 -3.726 0.905 6.116 444 HD3 LYS 53 2HD LYS 53 -2.157 1.666 6.390 445 HE2 LYS 53 1HE LYS 53 -3.276 1.145 3.644 446 HE3 LYS 53 2HE LYS 53 -3.562 2.643 4.528 447 HZ1 LYS 53 3HZ LYS 53 -1.570 3.387 3.950 448 HZ2 LYS 53 1HZ LYS 53 -1.399 2.047 2.931 449 HZ3 LYS 53 2HZ LYS 53 -0.801 1.990 4.512 450 HA PRO 54 HA PRO 54 0.995 -4.567 4.228 451 HB2 PRO 54 1HB PRO 54 0.427 -7.069 3.341 452 HB3 PRO 54 2HB PRO 54 0.635 -6.681 5.053 453 HG2 PRO 54 1HG PRO 54 -1.890 -7.007 3.477 454 HG3 PRO 54 2HG PRO 54 -1.500 -7.601 5.102 455 HD2 PRO 54 1HD PRO 54 -2.996 -5.384 4.681 456 HD3 PRO 54 2HD PRO 54 -1.925 -5.561 6.086 457 H ALA 55 H ALA 55 2.063 -4.805 2.247 458 HA ALA 55 HA ALA 55 0.973 -3.565 0.027 459 HB1 ALA 55 1HB ALA 55 2.873 -4.746 -1.228 460 HB2 ALA 55 2HB ALA 55 3.303 -3.669 0.102 461 HB3 ALA 55 3HB ALA 55 3.311 -5.416 0.344 462 H GLU 56 H GLU 56 0.903 -4.669 -2.221 463 HA GLU 56 HA GLU 56 -0.735 -7.108 -1.987 464 HB2 GLU 56 1HB GLU 56 -1.876 -4.930 -2.711 465 HB3 GLU 56 2HB GLU 56 -0.973 -5.091 -4.211 466 HG2 GLU 56 1HG GLU 56 -2.149 -6.954 -4.879 467 HG3 GLU 56 2HG GLU 56 -2.630 -7.370 -3.235 468 H ASN 57 H ASN 57 -0.616 -8.630 -3.724 469 HA ASN 57 HA ASN 57 2.039 -9.051 -4.655 470 HB2 ASN 57 1HB ASN 57 1.025 -10.999 -5.865 471 HB3 ASN 57 2HB ASN 57 0.673 -10.964 -4.139 472 HD21 ASN 57 2HD2 ASN 57 -1.401 -10.726 -3.452 473 HD22 ASN 57 1HD2 ASN 57 -2.764 -10.713 -4.513 474 H ASP 58 H ASP 58 -0.903 -7.804 -6.103 475 HA ASP 58 HA ASP 58 -0.279 -7.916 -8.792 476 HB2 ASP 58 1HB ASP 58 -2.456 -7.187 -8.132 477 HB3 ASP 58 2HB ASP 58 -1.796 -5.830 -7.225 478 H VAL 59 H VAL 59 1.027 -5.862 -6.314 479 HA VAL 59 HA VAL 59 2.094 -3.810 -7.908 480 HB VAL 59 HB VAL 59 3.179 -4.911 -5.312 481 HG11 VAL 59 1HG1 VAL 59 3.659 -2.133 -5.640 482 HG12 VAL 59 2HG1 VAL 59 4.832 -3.443 -5.501 483 HG13 VAL 59 3HG1 VAL 59 4.229 -2.962 -7.087 484 HG21 VAL 59 3HG2 VAL 59 1.813 -3.399 -4.169 485 HG22 VAL 59 1HG2 VAL 59 1.472 -2.465 -5.627 486 HG23 VAL 59 2HG2 VAL 59 0.756 -4.063 -5.414 487 H LYS 60 H LYS 60 3.818 -3.691 -9.205 488 HA LYS 60 HA LYS 60 5.950 -5.669 -8.997 489 HB2 LYS 60 1HB LYS 60 5.847 -5.958 -11.534 490 HB3 LYS 60 2HB LYS 60 4.625 -6.794 -10.585 491 HG2 LYS 60 1HG LYS 60 3.138 -5.892 -11.964 492 HG3 LYS 60 2HG LYS 60 3.445 -4.367 -11.130 493 HD2 LYS 60 1HD LYS 60 3.947 -3.624 -13.198 494 HD3 LYS 60 2HD LYS 60 5.502 -4.401 -12.891 495 HE2 LYS 60 1HE LYS 60 5.046 -6.166 -14.271 496 HE3 LYS 60 2HE LYS 60 3.305 -6.060 -14.012 497 HZ1 LYS 60 3HZ LYS 60 3.352 -5.192 -16.071 498 HZ2 LYS 60 1HZ LYS 60 4.973 -4.717 -15.970 499 HZ3 LYS 60 2HZ LYS 60 3.766 -3.761 -15.270 500 H LEU 61 H LEU 61 7.765 -5.119 -10.560 501 HA LEU 61 HA LEU 61 8.747 -2.591 -10.069 502 HB2 LEU 61 1HB LEU 61 10.313 -4.163 -10.747 503 HB3 LEU 61 2HB LEU 61 9.363 -4.647 -12.150 504 HG LEU 61 HG LEU 61 9.951 -2.543 -13.266 505 HD11 LEU 61 1HD1 LEU 61 11.776 -2.035 -10.926 506 HD12 LEU 61 2HD1 LEU 61 10.228 -1.226 -11.168 507 HD13 LEU 61 3HD1 LEU 61 11.528 -1.009 -12.340 508 HD21 LEU 61 3HD2 LEU 61 11.656 -4.724 -12.705 509 HD22 LEU 61 1HD2 LEU 61 12.648 -3.266 -12.691 510 HD23 LEU 61 2HD2 LEU 61 11.674 -3.655 -14.109 511 H GLY 62 H GLY 62 7.308 -3.738 -13.130 512 HA2 GLY 62 1HA GLY 62 7.385 -1.315 -14.502 513 HA3 GLY 62 2HA GLY 62 6.225 -2.601 -14.804 514 H ALA 63 H ALA 63 5.399 -2.234 -11.859 515 HA ALA 63 HA ALA 63 3.366 -0.233 -12.441 516 HB1 ALA 63 1HB ALA 63 3.571 -1.906 -9.951 517 HB2 ALA 63 2HB ALA 63 2.144 -1.119 -10.629 518 HB3 ALA 63 3HB ALA 63 2.859 -2.508 -11.449 519 H LEU 64 H LEU 64 6.294 -0.528 -10.682 520 HA LEU 64 HA LEU 64 5.683 1.863 -9.090 521 HB2 LEU 64 1HB LEU 64 8.084 0.072 -8.821 522 HB3 LEU 64 2HB LEU 64 7.497 1.273 -7.672 523 HG LEU 64 HG LEU 64 5.793 -1.089 -8.352 524 HD11 LEU 64 1HD1 LEU 64 8.376 -1.423 -7.442 525 HD12 LEU 64 2HD1 LEU 64 7.052 -2.576 -7.277 526 HD13 LEU 64 3HD1 LEU 64 7.408 -1.450 -5.968 527 HD21 LEU 64 3HD2 LEU 64 4.729 0.584 -7.045 528 HD22 LEU 64 1HD2 LEU 64 6.124 0.729 -5.975 529 HD23 LEU 64 2HD2 LEU 64 5.142 -0.736 -5.949 530 H LYS 65 H LYS 65 8.501 0.504 -10.810 531 HA LYS 65 HA LYS 65 10.136 1.477 -12.057 532 HB2 LYS 65 1HB LYS 65 7.778 3.242 -12.617 533 HB3 LYS 65 2HB LYS 65 9.358 3.662 -13.264 534 HG2 LYS 65 1HG LYS 65 8.277 0.916 -13.693 535 HG3 LYS 65 2HG LYS 65 7.689 2.257 -14.680 536 HD2 LYS 65 1HD LYS 65 10.619 1.663 -14.331 537 HD3 LYS 65 2HD LYS 65 9.647 0.931 -15.610 538 HE2 LYS 65 1HE LYS 65 8.992 3.288 -16.268 539 HE3 LYS 65 2HE LYS 65 10.259 3.846 -15.175 540 HZ1 LYS 65 3HZ LYS 65 10.514 2.949 -17.818 541 HZ2 LYS 65 1HZ LYS 65 11.348 1.868 -16.818 542 HZ3 LYS 65 2HZ LYS 65 11.724 3.516 -16.781 543 H LEU 66 H LEU 66 10.119 2.041 -9.284 544 HA LEU 66 HA LEU 66 11.005 4.835 -9.143 545 HB2 LEU 66 1HB LEU 66 9.895 2.899 -7.208 546 HB3 LEU 66 2HB LEU 66 11.123 4.003 -6.592 547 HG LEU 66 HG LEU 66 8.968 5.291 -8.118 548 HD11 LEU 66 1HD1 LEU 66 7.818 3.418 -6.872 549 HD12 LEU 66 2HD1 LEU 66 7.259 5.050 -6.510 550 HD13 LEU 66 3HD1 LEU 66 8.330 4.215 -5.385 551 HD21 LEU 66 3HD2 LEU 66 9.059 6.715 -5.986 552 HD22 LEU 66 1HD2 LEU 66 10.467 6.724 -7.048 553 HD23 LEU 66 2HD2 LEU 66 10.483 5.760 -5.571 554 H LYS 67 H LYS 67 12.893 5.181 -7.581 555 HA LYS 67 HA LYS 67 15.000 3.244 -8.261 556 HB2 LYS 67 1HB LYS 67 16.584 5.089 -7.973 557 HB3 LYS 67 2HB LYS 67 15.357 5.490 -9.167 558 HG2 LYS 67 1HG LYS 67 14.159 6.801 -7.467 559 HG3 LYS 67 2HG LYS 67 15.438 6.434 -6.308 560 HD2 LYS 67 1HD LYS 67 16.099 8.503 -7.086 561 HD3 LYS 67 2HD LYS 67 17.000 7.423 -8.153 562 HE2 LYS 67 1HE LYS 67 16.063 9.052 -9.566 563 HE3 LYS 67 2HE LYS 67 15.042 7.628 -9.760 564 HZ1 LYS 67 3HZ LYS 67 13.289 8.654 -8.831 565 HZ2 LYS 67 1HZ LYS 67 14.100 10.071 -9.274 566 HZ3 LYS 67 2HZ LYS 67 14.220 9.487 -7.691 567 HA PRO 68 HA PRO 68 15.602 2.205 -4.037 568 HB2 PRO 68 1HB PRO 68 18.267 1.685 -4.020 569 HB3 PRO 68 2HB PRO 68 17.083 0.609 -4.772 570 HG2 PRO 68 1HG PRO 68 18.860 2.656 -6.043 571 HG3 PRO 68 2HG PRO 68 18.477 1.013 -6.590 572 HD2 PRO 68 1HD PRO 68 17.288 3.210 -7.635 573 HD3 PRO 68 2HD PRO 68 16.454 1.650 -7.492 574 H ASN 69 H ASN 69 17.157 4.907 -5.457 575 HA ASN 69 HA ASN 69 18.805 5.873 -3.468 576 HB2 ASN 69 1HB ASN 69 17.102 7.203 -5.543 577 HB3 ASN 69 2HB ASN 69 17.928 8.191 -4.342 578 HD21 ASN 69 2HD2 ASN 69 18.558 5.528 -6.594 579 HD22 ASN 69 1HD2 ASN 69 20.125 6.076 -7.072 580 H THR 70 H THR 70 15.317 5.834 -3.610 581 HA THR 70 HA THR 70 14.690 7.723 -1.668 582 HB THR 70 HB THR 70 12.955 6.705 -3.023 583 HG1 THR 70 HG1 THR 70 11.540 6.874 -1.436 584 HG21 THR 70 3HG2 THR 70 12.241 4.423 -2.748 585 HG22 THR 70 1HG2 THR 70 13.402 4.170 -1.446 586 HG23 THR 70 2HG2 THR 70 13.969 4.428 -3.096 587 H LYS 71 H LYS 71 15.594 4.325 -1.316 588 HA LYS 71 HA LYS 71 16.312 3.115 0.472 589 HB2 LYS 71 1HB LYS 71 16.667 5.805 1.808 590 HB3 LYS 71 2HB LYS 71 17.393 4.286 2.318 591 HG2 LYS 71 1HG LYS 71 18.001 4.912 -0.446 592 HG3 LYS 71 2HG LYS 71 18.529 6.179 0.664 593 HD2 LYS 71 1HD LYS 71 19.737 4.528 1.991 594 HD3 LYS 71 2HD LYS 71 19.180 3.242 0.917 595 HE2 LYS 71 1HE LYS 71 20.316 4.482 -0.961 596 HE3 LYS 71 2HE LYS 71 21.038 5.521 0.267 597 HZ1 LYS 71 3HZ LYS 71 21.863 2.965 -0.584 598 HZ2 LYS 71 1HZ LYS 71 21.477 2.898 1.062 599 HZ3 LYS 71 2HZ LYS 71 22.621 4.013 0.506 600 H ILE 72 H ILE 72 15.569 2.230 2.440 601 HA ILE 72 HA ILE 72 13.106 3.424 3.516 602 HB ILE 72 HB ILE 72 12.434 1.616 2.031 603 HG12 ILE 72 1HG1 ILE 72 11.507 2.012 4.502 604 HG13 ILE 72 2HG1 ILE 72 10.882 0.733 3.465 605 HG21 ILE 72 1HG2 ILE 72 13.098 -0.749 2.726 606 HG22 ILE 72 2HG2 ILE 72 14.310 0.220 1.889 607 HG23 ILE 72 3HG2 ILE 72 14.400 0.015 3.638 608 HD11 ILE 72 3HD1 ILE 72 11.512 0.218 5.922 609 HD12 ILE 72 1HD1 ILE 72 11.944 -0.926 4.652 610 HD13 ILE 72 2HD1 ILE 72 13.162 0.172 5.302 611 H MET 73 H MET 73 12.701 3.066 5.703 612 HA MET 73 HA MET 73 14.930 1.861 7.208 613 HB2 MET 73 1HB MET 73 13.197 4.108 8.223 614 HB3 MET 73 2HB MET 73 14.716 3.525 8.891 615 HG2 MET 73 1HG MET 73 15.861 4.324 6.842 616 HG3 MET 73 2HG MET 73 14.332 5.016 6.308 617 HE1 MET 73 3HE MET 73 17.387 5.606 7.232 618 HE2 MET 73 1HE MET 73 17.310 7.338 7.556 619 HE3 MET 73 2HE MET 73 17.523 6.201 8.888 620 H MET 74 H MET 74 14.443 0.404 8.761 621 HA MET 74 HA MET 74 11.585 -0.118 9.253 622 HB2 MET 74 1HB MET 74 13.928 -1.978 8.969 623 HB3 MET 74 2HB MET 74 12.481 -2.478 9.835 624 HG2 MET 74 1HG MET 74 11.140 -2.057 7.837 625 HG3 MET 74 2HG MET 74 12.592 -1.563 6.971 626 HE1 MET 74 3HE MET 74 12.484 -4.458 9.607 627 HE2 MET 74 1HE MET 74 10.871 -4.538 8.897 628 HE3 MET 74 2HE MET 74 12.027 -5.839 8.610 629 H MET 75 H MET 75 10.880 -0.407 11.330 630 HA MET 75 HA MET 75 12.861 -0.326 13.488 631 HB2 MET 75 1HB MET 75 12.215 1.976 13.234 632 HB3 MET 75 2HB MET 75 10.511 1.546 13.185 633 HG2 MET 75 1HG MET 75 10.426 1.102 15.461 634 HG3 MET 75 2HG MET 75 12.174 0.919 15.587 635 HE1 MET 75 3HE MET 75 13.481 2.189 16.506 636 HE2 MET 75 1HE MET 75 13.838 3.742 15.749 637 HE3 MET 75 2HE MET 75 13.087 3.691 17.344 638 H GLY 76 H GLY 76 12.253 -1.364 15.374 639 HA2 GLY 76 1HA GLY 76 11.121 -2.877 16.676 640 HA3 GLY 76 2HA GLY 76 9.648 -2.148 16.054 641 H THR 77 H THR 77 12.168 -4.513 15.268 642 HA THR 77 HA THR 77 10.103 -6.135 13.945 643 HB THR 77 HB THR 77 11.703 -6.816 12.211 644 HG1 THR 77 HG1 THR 77 13.385 -4.810 13.347 645 HG21 THR 77 3HG2 THR 77 10.749 -5.188 11.027 646 HG22 THR 77 1HG2 THR 77 12.022 -4.093 11.563 647 HG23 THR 77 2HG2 THR 77 10.521 -4.217 12.481 648 H ARG 78 H ARG 78 11.372 -8.371 13.341 649 HA ARG 78 HA ARG 78 13.094 -9.230 15.506 650 HB2 ARG 78 1HB ARG 78 10.594 -9.404 16.211 651 HB3 ARG 78 2HB ARG 78 10.555 -10.782 15.119 652 HG2 ARG 78 1HG ARG 78 12.613 -10.575 17.285 653 HG3 ARG 78 2HG ARG 78 10.997 -11.210 17.602 654 HD2 ARG 78 1HD ARG 78 11.346 -12.865 15.790 655 HD3 ARG 78 2HD ARG 78 12.997 -12.271 15.611 656 HE ARG 78 HE ARG 78 12.029 -14.060 17.607 657 HH11 ARG 78 1HH1 ARG 78 14.349 -11.537 16.997 658 HH12 ARG 78 2HH1 ARG 78 15.460 -12.086 18.207 659 HH21 ARG 78 1HH2 ARG 78 13.484 -14.793 19.204 660 HH22 ARG 78 2HH2 ARG 78 14.968 -13.939 19.461 661 H GLU 79 H GLU 79 14.659 -10.019 14.221 662 HA GLU 79 HA GLU 79 13.906 -11.803 12.014 663 HB2 GLU 79 1HB GLU 79 15.435 -9.787 11.653 664 HB3 GLU 79 2HB GLU 79 16.653 -10.686 12.546 665 HG2 GLU 79 1HG GLU 79 16.149 -12.560 10.816 666 HG3 GLU 79 2HG GLU 79 15.488 -11.236 9.858 667 H GLU 80 H GLU 80 14.518 -13.906 11.950 668 HA GLU 80 HA GLU 80 15.977 -14.929 14.297 669 HB2 GLU 80 1HB GLU 80 14.760 -17.072 13.879 670 HB3 GLU 80 2HB GLU 80 13.720 -15.733 14.341 671 HG2 GLU 80 1HG GLU 80 12.941 -15.455 12.121 672 HG3 GLU 80 2HG GLU 80 14.169 -16.548 11.486 673 H SER 81 H SER 81 17.639 -14.091 12.448 674 HA SER 81 HA SER 81 18.201 -15.859 10.319 675 HB2 SER 81 1HB SER 81 19.052 -13.552 10.384 676 HB3 SER 81 2HB SER 81 20.065 -13.961 11.769 677 HG SER 81 HG SER 81 21.468 -14.799 10.455 Start of MODEL 7 1 H1 MET 1 H MET 1 1.683 1.868 -0.862 2 HA MET 1 HA MET 1 0.988 -0.951 -1.359 3 HB2 MET 1 1HB MET 1 1.507 -0.637 -3.714 4 HB3 MET 1 2HB MET 1 0.248 0.486 -3.219 5 HG2 MET 1 1HG MET 1 2.123 2.184 -2.912 6 HG3 MET 1 2HG MET 1 3.129 1.053 -3.814 7 HE1 MET 1 3HE MET 1 2.583 3.885 -6.229 8 HE2 MET 1 1HE MET 1 1.525 4.417 -4.921 9 HE3 MET 1 2HE MET 1 3.083 3.678 -4.550 10 H ALA 2 H ALA 2 2.941 -1.831 -2.889 11 HA ALA 2 HA ALA 2 5.235 -1.780 -1.138 12 HB1 ALA 2 1HB ALA 2 6.034 -3.337 -3.185 13 HB2 ALA 2 2HB ALA 2 5.052 -3.915 -1.838 14 HB3 ALA 2 3HB ALA 2 4.283 -3.464 -3.360 15 H LEU 3 H LEU 3 7.105 -0.727 -1.442 16 HA LEU 3 HA LEU 3 7.537 0.605 -4.034 17 HB2 LEU 3 1HB LEU 3 8.625 1.811 -1.549 18 HB3 LEU 3 2HB LEU 3 8.111 2.584 -3.047 19 HG LEU 3 HG LEU 3 6.334 1.564 -0.833 20 HD11 LEU 3 1HD1 LEU 3 5.674 4.029 -0.851 21 HD12 LEU 3 2HD1 LEU 3 7.153 4.293 -1.774 22 HD13 LEU 3 3HD1 LEU 3 7.238 3.611 -0.150 23 HD21 LEU 3 3HD2 LEU 3 4.902 3.128 -2.689 24 HD22 LEU 3 1HD2 LEU 3 4.696 1.415 -2.321 25 HD23 LEU 3 2HD2 LEU 3 5.785 1.914 -3.616 26 HA PRO 4 HA PRO 4 11.396 -1.537 -4.050 27 HB2 PRO 4 1HB PRO 4 12.635 -0.068 -5.969 28 HB3 PRO 4 2HB PRO 4 11.365 -1.244 -6.329 29 HG2 PRO 4 1HG PRO 4 11.174 1.733 -6.076 30 HG3 PRO 4 2HG PRO 4 10.434 0.663 -7.281 31 HD2 PRO 4 1HD PRO 4 9.060 1.642 -5.164 32 HD3 PRO 4 2HD PRO 4 8.720 0.048 -5.868 33 H MET 5 H MET 5 12.384 -1.123 -2.101 34 HA MET 5 HA MET 5 14.338 1.036 -2.109 35 HB2 MET 5 1HB MET 5 13.241 0.939 0.526 36 HB3 MET 5 2HB MET 5 13.331 2.305 -0.578 37 HG2 MET 5 1HG MET 5 11.223 1.493 -1.634 38 HG3 MET 5 2HG MET 5 11.116 0.285 -0.355 39 HE1 MET 5 3HE MET 5 9.142 3.649 -0.941 40 HE2 MET 5 1HE MET 5 10.416 4.706 -0.333 41 HE3 MET 5 2HE MET 5 10.758 3.580 -1.646 42 H ILE 6 H ILE 6 15.908 0.806 -0.295 43 HA ILE 6 HA ILE 6 16.331 -2.047 0.291 44 HB ILE 6 HB ILE 6 18.356 0.191 0.181 45 HG12 ILE 6 1HG1 ILE 6 18.017 -2.178 -1.666 46 HG13 ILE 6 2HG1 ILE 6 17.405 -0.565 -2.017 47 HG21 ILE 6 1HG2 ILE 6 19.269 -1.260 1.721 48 HG22 ILE 6 2HG2 ILE 6 18.536 -2.680 0.976 49 HG23 ILE 6 3HG2 ILE 6 19.917 -1.896 0.210 50 HD11 ILE 6 3HD1 ILE 6 19.437 -0.773 -3.177 51 HD12 ILE 6 1HD1 ILE 6 19.781 0.245 -1.779 52 HD13 ILE 6 2HD1 ILE 6 20.259 -1.453 -1.773 53 H VAL 7 H VAL 7 16.477 -2.744 2.342 54 HA VAL 7 HA VAL 7 16.165 -0.745 4.470 55 HB VAL 7 HB VAL 7 14.401 -2.360 4.490 56 HG11 VAL 7 1HG1 VAL 7 15.320 -4.148 3.223 57 HG12 VAL 7 2HG1 VAL 7 16.599 -4.416 4.409 58 HG13 VAL 7 3HG1 VAL 7 14.925 -4.798 4.814 59 HG21 VAL 7 3HG2 VAL 7 14.671 -3.351 6.717 60 HG22 VAL 7 1HG2 VAL 7 16.400 -3.008 6.655 61 HG23 VAL 7 2HG2 VAL 7 15.237 -1.682 6.675 62 H LYS 8 H LYS 8 17.664 -0.465 6.013 63 HA LYS 8 HA LYS 8 19.752 -2.476 6.384 64 HB2 LYS 8 1HB LYS 8 20.486 0.427 6.072 65 HB3 LYS 8 2HB LYS 8 21.554 -0.970 6.091 66 HG2 LYS 8 1HG LYS 8 20.360 -1.684 3.947 67 HG3 LYS 8 2HG LYS 8 19.733 -0.034 3.903 68 HD2 LYS 8 1HD LYS 8 22.231 0.633 4.218 69 HD3 LYS 8 2HD LYS 8 22.552 -1.002 3.635 70 HE2 LYS 8 1HE LYS 8 21.588 -0.575 1.554 71 HE3 LYS 8 2HE LYS 8 20.707 0.832 2.146 72 HZ1 LYS 8 3HZ LYS 8 22.630 2.124 2.146 73 HZ2 LYS 8 1HZ LYS 8 22.745 1.240 0.708 74 HZ3 LYS 8 2HZ LYS 8 23.661 0.786 2.055 75 H TRP 9 H TRP 9 18.499 -2.777 8.350 76 HA TRP 9 HA TRP 9 18.539 -0.618 10.292 77 HB2 TRP 9 1HB TRP 9 16.587 -2.180 10.051 78 HB3 TRP 9 2HB TRP 9 17.611 -3.470 10.675 79 HD1 TRP 9 HD1 TRP 9 16.900 -3.927 13.086 80 HE1 TRP 9 HE1 TRP 9 16.334 -2.497 15.149 81 HE3 TRP 9 HE3 TRP 9 17.234 0.715 10.970 82 HZ2 TRP 9 HZ2 TRP 9 16.064 0.238 15.794 83 HZ3 TRP 9 HZ3 TRP 9 16.806 2.686 12.379 84 HH2 TRP 9 HH2 TRP 9 16.233 2.451 14.741 85 H GLY 10 H GLY 10 21.097 -1.147 9.652 86 HA2 GLY 10 1HA GLY 10 23.133 -1.569 10.626 87 HA3 GLY 10 2HA GLY 10 22.269 -1.770 12.143 88 H GLY 11 H GLY 11 21.637 -3.835 12.810 89 HA2 GLY 11 1HA GLY 11 23.360 -5.928 12.292 90 HA3 GLY 11 2HA GLY 11 21.749 -6.124 12.966 91 H GLN 12 H GLN 12 20.020 -5.664 11.061 92 HA GLN 12 HA GLN 12 20.690 -7.661 9.022 93 HB2 GLN 12 1HB GLN 12 18.374 -8.077 8.794 94 HB3 GLN 12 2HB GLN 12 18.657 -7.921 10.523 95 HG2 GLN 12 1HG GLN 12 16.791 -6.647 10.326 96 HG3 GLN 12 2HG GLN 12 18.018 -5.410 10.054 97 HE21 GLN 12 2HE2 GLN 12 15.606 -4.824 9.170 98 HE22 GLN 12 1HE2 GLN 12 15.499 -4.960 7.451 99 H GLU 13 H GLU 13 20.647 -7.230 6.873 100 HA GLU 13 HA GLU 13 19.712 -4.599 5.985 101 HB2 GLU 13 1HB GLU 13 22.200 -4.554 6.421 102 HB3 GLU 13 2HB GLU 13 22.374 -5.734 5.130 103 HG2 GLU 13 1HG GLU 13 20.974 -3.906 3.804 104 HG3 GLU 13 2HG GLU 13 21.732 -2.850 4.995 105 H TYR 14 H TYR 14 17.957 -5.651 5.015 106 HA TYR 14 HA TYR 14 18.577 -7.552 2.869 107 HB2 TYR 14 1HB TYR 14 15.914 -6.829 4.108 108 HB3 TYR 14 2HB TYR 14 16.170 -8.061 2.878 109 HD1 TYR 14 HD2 TYR 14 18.576 -9.424 3.844 110 HD2 TYR 14 HD1 TYR 14 15.219 -7.965 6.012 111 HE1 TYR 14 HE2 TYR 14 18.992 -11.094 5.600 112 HE2 TYR 14 HE1 TYR 14 15.627 -9.630 7.776 113 HH TYR 14 HH TYR 14 17.245 -11.059 8.620 114 H SER 15 H SER 15 16.741 -7.305 1.047 115 HA SER 15 HA SER 15 16.812 -4.487 0.185 116 HB2 SER 15 1HB SER 15 16.898 -5.422 -2.168 117 HB3 SER 15 2HB SER 15 18.351 -5.681 -1.203 118 HG SER 15 HG SER 15 17.690 -7.578 -2.308 119 H VAL 16 H VAL 16 14.853 -3.634 0.103 120 HA VAL 16 HA VAL 16 12.535 -5.385 -0.286 121 HB VAL 16 HB VAL 16 12.412 -2.475 0.464 122 HG11 VAL 16 1HG1 VAL 16 10.486 -4.350 1.594 123 HG12 VAL 16 2HG1 VAL 16 10.222 -2.819 0.757 124 HG13 VAL 16 3HG1 VAL 16 10.461 -4.302 -0.168 125 HG21 VAL 16 3HG2 VAL 16 13.717 -3.152 2.221 126 HG22 VAL 16 1HG2 VAL 16 12.120 -3.566 2.845 127 HG23 VAL 16 2HG2 VAL 16 13.146 -4.819 2.146 128 H THR 17 H THR 17 14.259 -4.633 -2.500 129 HA THR 17 HA THR 17 13.193 -2.544 -4.041 130 HB THR 17 HB THR 17 15.364 -3.642 -4.520 131 HG1 THR 17 HG1 THR 17 15.039 -2.787 -6.419 132 HG21 THR 17 3HG2 THR 17 13.932 -5.822 -5.969 133 HG22 THR 17 1HG2 THR 17 14.211 -5.991 -4.236 134 HG23 THR 17 2HG2 THR 17 15.576 -5.785 -5.333 135 H THR 18 H THR 18 12.202 -3.045 -6.295 136 HA THR 18 HA THR 18 9.761 -4.583 -5.800 137 HB THR 18 HB THR 18 9.597 -2.200 -6.563 138 HG1 THR 18 HG1 THR 18 8.501 -3.895 -8.545 139 HG21 THR 18 3HG2 THR 18 10.101 -1.611 -8.823 140 HG22 THR 18 1HG2 THR 18 10.508 -3.277 -9.229 141 HG23 THR 18 2HG2 THR 18 11.546 -2.356 -8.141 142 H LEU 19 H LEU 19 12.714 -5.019 -7.247 143 HA LEU 19 HA LEU 19 13.552 -6.673 -8.569 144 HB2 LEU 19 1HB LEU 19 10.798 -7.821 -8.853 145 HB3 LEU 19 2HB LEU 19 12.351 -8.654 -8.898 146 HG LEU 19 HG LEU 19 11.224 -7.397 -6.403 147 HD11 LEU 19 1HD1 LEU 19 9.961 -9.187 -5.984 148 HD12 LEU 19 2HD1 LEU 19 11.194 -10.305 -6.564 149 HD13 LEU 19 3HD1 LEU 19 10.097 -9.532 -7.708 150 HD21 LEU 19 3HD2 LEU 19 12.831 -9.315 -5.537 151 HD22 LEU 19 1HD2 LEU 19 13.432 -7.705 -5.935 152 HD23 LEU 19 2HD2 LEU 19 13.611 -9.023 -7.093 153 H SER 20 H SER 20 13.045 -7.787 -10.833 154 HA SER 20 HA SER 20 12.742 -5.634 -12.674 155 HB2 SER 20 1HB SER 20 12.983 -8.618 -13.126 156 HB3 SER 20 2HB SER 20 13.029 -7.408 -14.408 157 HG SER 20 HG SER 20 15.104 -8.204 -13.403 158 H GLU 21 H GLU 21 11.289 -5.860 -14.630 159 HA GLU 21 HA GLU 21 8.602 -5.801 -13.812 160 HB2 GLU 21 1HB GLU 21 8.078 -5.632 -16.221 161 HB3 GLU 21 2HB GLU 21 9.358 -4.531 -15.733 162 HG2 GLU 21 1HG GLU 21 11.011 -6.188 -16.586 163 HG3 GLU 21 2HG GLU 21 9.660 -7.127 -17.218 164 H ASP 22 H ASP 22 10.597 -8.350 -15.103 165 HA ASP 22 HA ASP 22 8.571 -10.124 -15.920 166 HB2 ASP 22 1HB ASP 22 11.201 -11.037 -14.778 167 HB3 ASP 22 2HB ASP 22 10.250 -11.765 -16.070 168 H ASP 23 H ASP 23 9.987 -9.441 -12.794 169 HA ASP 23 HA ASP 23 8.451 -11.610 -11.565 170 HB2 ASP 23 1HB ASP 23 10.622 -9.807 -10.485 171 HB3 ASP 23 2HB ASP 23 9.738 -10.965 -9.495 172 H THR 24 H THR 24 7.780 -10.811 -9.162 173 HA THR 24 HA THR 24 6.410 -8.231 -9.358 174 HB THR 24 HB THR 24 4.420 -9.576 -8.198 175 HG1 THR 24 HG1 THR 24 5.887 -11.553 -8.773 176 HG21 THR 24 3HG2 THR 24 4.691 -9.701 -11.189 177 HG22 THR 24 1HG2 THR 24 4.473 -8.173 -10.338 178 HG23 THR 24 2HG2 THR 24 3.239 -9.428 -10.226 179 H VAL 25 H VAL 25 5.195 -7.840 -7.171 180 HA VAL 25 HA VAL 25 7.169 -7.830 -5.133 181 HB VAL 25 HB VAL 25 4.226 -7.163 -5.027 182 HG11 VAL 25 1HG1 VAL 25 5.218 -5.848 -2.928 183 HG12 VAL 25 2HG1 VAL 25 4.560 -7.481 -2.803 184 HG13 VAL 25 3HG1 VAL 25 6.304 -7.238 -2.918 185 HG21 VAL 25 3HG2 VAL 25 5.064 -5.468 -6.285 186 HG22 VAL 25 1HG2 VAL 25 5.476 -4.829 -4.694 187 HG23 VAL 25 2HG2 VAL 25 6.700 -5.659 -5.654 188 H LEU 26 H LEU 26 4.605 -10.003 -5.959 189 HA LEU 26 HA LEU 26 4.167 -11.238 -3.483 190 HB2 LEU 26 1HB LEU 26 3.315 -13.129 -4.773 191 HB3 LEU 26 2HB LEU 26 2.704 -11.591 -5.377 192 HG LEU 26 HG LEU 26 4.800 -11.917 -7.025 193 HD11 LEU 26 1HD1 LEU 26 3.833 -14.706 -7.013 194 HD12 LEU 26 2HD1 LEU 26 4.965 -14.259 -5.738 195 HD13 LEU 26 3HD1 LEU 26 5.417 -14.051 -7.430 196 HD21 LEU 26 3HD2 LEU 26 1.973 -12.902 -7.230 197 HD22 LEU 26 1HD2 LEU 26 3.097 -13.025 -8.584 198 HD23 LEU 26 2HD2 LEU 26 2.692 -11.444 -7.916 199 H ASP 27 H ASP 27 6.562 -11.859 -6.003 200 HA ASP 27 HA ASP 27 7.644 -14.225 -4.993 201 HB2 ASP 27 1HB ASP 27 8.112 -12.903 -7.215 202 HB3 ASP 27 2HB ASP 27 9.413 -12.177 -6.274 203 H LEU 28 H LEU 28 9.116 -10.989 -4.682 204 HA LEU 28 HA LEU 28 10.959 -11.691 -2.710 205 HB2 LEU 28 1HB LEU 28 11.391 -9.410 -2.460 206 HB3 LEU 28 2HB LEU 28 10.870 -9.590 -4.134 207 HG LEU 28 HG LEU 28 8.520 -8.946 -3.042 208 HD11 LEU 28 1HD1 LEU 28 9.858 -6.944 -1.501 209 HD12 LEU 28 2HD1 LEU 28 10.315 -8.542 -0.914 210 HD13 LEU 28 3HD1 LEU 28 8.613 -8.089 -1.001 211 HD21 LEU 28 3HD2 LEU 28 10.753 -7.303 -4.127 212 HD22 LEU 28 1HD2 LEU 28 9.326 -6.484 -3.494 213 HD23 LEU 28 2HD2 LEU 28 9.163 -7.645 -4.812 214 H LYS 29 H LYS 29 7.616 -10.648 -2.459 215 HA LYS 29 HA LYS 29 7.434 -10.010 0.219 216 HB2 LYS 29 1HB LYS 29 5.547 -9.695 -1.231 217 HB3 LYS 29 2HB LYS 29 5.453 -11.417 -1.573 218 HG2 LYS 29 1HG LYS 29 4.780 -11.868 0.707 219 HG3 LYS 29 2HG LYS 29 4.962 -10.161 1.120 220 HD2 LYS 29 1HD LYS 29 2.723 -10.177 0.719 221 HD3 LYS 29 2HD LYS 29 3.283 -9.900 -0.932 222 HE2 LYS 29 1HE LYS 29 1.646 -11.629 -1.012 223 HE3 LYS 29 2HE LYS 29 3.220 -12.379 -1.276 224 HZ1 LYS 29 3HZ LYS 29 2.860 -13.694 0.449 225 HZ2 LYS 29 1HZ LYS 29 1.326 -13.014 0.665 226 HZ3 LYS 29 2HZ LYS 29 2.660 -12.366 1.477 227 H GLN 30 H GLN 30 7.271 -13.216 -1.287 228 HA GLN 30 HA GLN 30 6.881 -14.582 1.198 229 HB2 GLN 30 1HB GLN 30 7.632 -15.552 -1.560 230 HB3 GLN 30 2HB GLN 30 7.387 -16.628 -0.190 231 HG2 GLN 30 1HG GLN 30 5.096 -16.045 -0.029 232 HG3 GLN 30 2HG GLN 30 5.290 -14.711 -1.165 233 HE21 GLN 30 2HE2 GLN 30 3.331 -16.229 -1.830 234 HE22 GLN 30 1HE2 GLN 30 3.717 -17.338 -3.096 235 H PHE 31 H PHE 31 9.630 -13.652 -0.742 236 HA PHE 31 HA PHE 31 11.528 -15.344 0.537 237 HB2 PHE 31 1HB PHE 31 11.632 -13.040 -1.342 238 HB3 PHE 31 2HB PHE 31 13.093 -13.398 -0.426 239 HD1 PHE 31 HD2 PHE 31 10.508 -15.560 -2.025 240 HD2 PHE 31 HD1 PHE 31 14.612 -14.460 -1.775 241 HE1 PHE 31 HE2 PHE 31 11.077 -17.333 -3.633 242 HE2 PHE 31 HE1 PHE 31 15.188 -16.230 -3.384 243 HZ PHE 31 HZ PHE 31 13.419 -17.671 -4.314 244 H LEU 32 H LEU 32 10.221 -12.182 1.212 245 HA LEU 32 HA LEU 32 12.219 -11.490 3.159 246 HB2 LEU 32 1HB LEU 32 9.527 -10.309 2.505 247 HB3 LEU 32 2HB LEU 32 10.621 -9.645 3.717 248 HG LEU 32 HG LEU 32 11.078 -9.802 0.740 249 HD11 LEU 32 1HD1 LEU 32 11.061 -7.394 0.838 250 HD12 LEU 32 2HD1 LEU 32 10.856 -7.432 2.589 251 HD13 LEU 32 3HD1 LEU 32 9.567 -8.019 1.539 252 HD21 LEU 32 3HD2 LEU 32 13.201 -10.193 1.630 253 HD22 LEU 32 1HD2 LEU 32 12.927 -9.117 3.001 254 HD23 LEU 32 2HD2 LEU 32 13.157 -8.446 1.386 255 H LYS 33 H LYS 33 8.897 -12.706 3.240 256 HA LYS 33 HA LYS 33 8.669 -12.691 6.073 257 HB2 LYS 33 1HB LYS 33 6.577 -13.607 5.766 258 HB3 LYS 33 2HB LYS 33 6.835 -12.850 4.199 259 HG2 LYS 33 1HG LYS 33 7.747 -15.141 3.475 260 HG3 LYS 33 2HG LYS 33 6.951 -15.750 4.928 261 HD2 LYS 33 1HD LYS 33 5.460 -14.043 2.969 262 HD3 LYS 33 2HD LYS 33 5.661 -15.773 2.684 263 HE2 LYS 33 1HE LYS 33 4.647 -14.788 5.320 264 HE3 LYS 33 2HE LYS 33 3.555 -14.904 3.941 265 HZ1 LYS 33 3HZ LYS 33 4.725 -17.293 3.856 266 HZ2 LYS 33 1HZ LYS 33 3.292 -16.987 4.701 267 HZ3 LYS 33 2HZ LYS 33 4.770 -17.010 5.523 268 H THR 34 H THR 34 10.138 -14.831 3.814 269 HA THR 34 HA THR 34 10.186 -17.075 5.663 270 HB THR 34 HB THR 34 11.562 -18.172 3.849 271 HG1 THR 34 HG1 THR 34 11.469 -17.067 1.795 272 HG21 THR 34 3HG2 THR 34 9.505 -18.969 3.468 273 HG22 THR 34 1HG2 THR 34 9.395 -17.765 2.184 274 HG23 THR 34 2HG2 THR 34 8.754 -17.406 3.787 275 H LEU 35 H LEU 35 12.353 -14.624 4.376 276 HA LEU 35 HA LEU 35 14.670 -15.751 5.689 277 HB2 LEU 35 1HB LEU 35 15.147 -14.701 3.649 278 HB3 LEU 35 2HB LEU 35 14.170 -13.290 4.049 279 HG LEU 35 HG LEU 35 15.851 -12.585 5.680 280 HD11 LEU 35 1HD1 LEU 35 17.056 -15.206 4.956 281 HD12 LEU 35 2HD1 LEU 35 16.929 -14.414 6.526 282 HD13 LEU 35 3HD1 LEU 35 18.127 -13.863 5.354 283 HD21 LEU 35 3HD2 LEU 35 16.301 -11.507 3.724 284 HD22 LEU 35 1HD2 LEU 35 16.519 -13.005 2.818 285 HD23 LEU 35 2HD2 LEU 35 17.797 -12.428 3.888 286 H THR 36 H THR 36 12.651 -12.848 6.043 287 HA THR 36 HA THR 36 13.997 -12.105 8.499 288 HB THR 36 HB THR 36 12.803 -10.106 8.448 289 HG1 THR 36 HG1 THR 36 10.912 -10.923 6.550 290 HG21 THR 36 3HG2 THR 36 12.533 -10.423 5.539 291 HG22 THR 36 1HG2 THR 36 14.107 -10.878 6.189 292 HG23 THR 36 2HG2 THR 36 13.473 -9.257 6.470 293 H GLY 37 H GLY 37 10.856 -13.390 7.500 294 HA2 GLY 37 1HA GLY 37 9.111 -14.265 8.716 295 HA3 GLY 37 2HA GLY 37 10.382 -14.920 9.737 296 H VAL 38 H VAL 38 9.950 -11.483 9.372 297 HA VAL 38 HA VAL 38 8.865 -11.373 12.112 298 HB VAL 38 HB VAL 38 11.230 -10.604 11.944 299 HG11 VAL 38 1HG1 VAL 38 10.351 -8.111 10.597 300 HG12 VAL 38 2HG1 VAL 38 11.926 -8.906 10.596 301 HG13 VAL 38 3HG1 VAL 38 10.619 -9.535 9.593 302 HG21 VAL 38 3HG2 VAL 38 9.455 -8.273 12.595 303 HG22 VAL 38 1HG2 VAL 38 9.473 -9.730 13.589 304 HG23 VAL 38 2HG2 VAL 38 10.946 -8.782 13.387 305 H LEU 39 H LEU 39 8.614 -10.309 8.844 306 HA LEU 39 HA LEU 39 7.047 -7.996 9.210 307 HB2 LEU 39 1HB LEU 39 6.668 -9.783 6.851 308 HB3 LEU 39 2HB LEU 39 6.700 -8.022 6.929 309 HG LEU 39 HG LEU 39 9.061 -9.894 7.039 310 HD11 LEU 39 1HD1 LEU 39 7.990 -7.966 5.007 311 HD12 LEU 39 2HD1 LEU 39 8.415 -9.666 4.807 312 HD13 LEU 39 3HD1 LEU 39 9.684 -8.459 5.016 313 HD21 LEU 39 3HD2 LEU 39 10.419 -7.825 7.112 314 HD22 LEU 39 1HD2 LEU 39 9.468 -8.084 8.575 315 HD23 LEU 39 2HD2 LEU 39 8.940 -6.900 7.379 316 HA PRO 40 HA PRO 40 3.266 -10.979 8.632 317 HB2 PRO 40 1HB PRO 40 3.741 -13.618 9.056 318 HB3 PRO 40 2HB PRO 40 3.880 -12.861 7.465 319 HG2 PRO 40 1HG PRO 40 6.030 -13.540 9.435 320 HG3 PRO 40 2HG PRO 40 6.015 -13.759 7.675 321 HD2 PRO 40 1HD PRO 40 7.294 -11.696 8.876 322 HD3 PRO 40 2HD PRO 40 6.550 -11.554 7.270 323 H GLU 41 H GLU 41 5.632 -11.030 11.064 324 HA GLU 41 HA GLU 41 3.763 -12.051 13.080 325 HB2 GLU 41 1HB GLU 41 6.709 -11.413 13.318 326 HB3 GLU 41 2HB GLU 41 5.709 -12.120 14.579 327 HG2 GLU 41 1HG GLU 41 5.882 -13.491 11.945 328 HG3 GLU 41 2HG GLU 41 7.236 -13.611 13.067 329 H ARG 42 H ARG 42 6.209 -9.455 12.993 330 HA ARG 42 HA ARG 42 4.307 -7.428 13.660 331 HB2 ARG 42 1HB ARG 42 5.490 -6.873 15.864 332 HB3 ARG 42 2HB ARG 42 4.364 -8.224 15.868 333 HG2 ARG 42 1HG ARG 42 6.197 -9.797 15.745 334 HG3 ARG 42 2HG ARG 42 7.355 -8.471 15.633 335 HD2 ARG 42 1HD ARG 42 7.134 -9.495 17.910 336 HD3 ARG 42 2HD ARG 42 6.869 -7.753 17.848 337 HE ARG 42 HE ARG 42 4.434 -9.223 17.607 338 HH11 ARG 42 1HH1 ARG 42 6.792 -8.047 19.882 339 HH12 ARG 42 2HH1 ARG 42 5.678 -7.996 21.209 340 HH21 ARG 42 1HH2 ARG 42 2.958 -9.159 19.345 341 HH22 ARG 42 2HH2 ARG 42 3.498 -8.629 20.902 342 H GLN 43 H GLN 43 5.072 -5.978 12.252 343 HA GLN 43 HA GLN 43 7.924 -5.266 12.432 344 HB2 GLN 43 1HB GLN 43 7.858 -4.709 10.030 345 HB3 GLN 43 2HB GLN 43 7.525 -6.410 10.327 346 HG2 GLN 43 1HG GLN 43 5.066 -5.798 10.196 347 HG3 GLN 43 2HG GLN 43 5.600 -4.247 9.549 348 HE21 GLN 43 2HE2 GLN 43 4.142 -6.696 8.457 349 HE22 GLN 43 1HE2 GLN 43 4.953 -7.020 6.967 350 H LYS 44 H LYS 44 8.452 -3.095 12.345 351 HA LYS 44 HA LYS 44 6.210 -1.191 12.287 352 HB2 LYS 44 1HB LYS 44 8.530 -1.021 14.214 353 HB3 LYS 44 2HB LYS 44 7.113 0.019 14.163 354 HG2 LYS 44 1HG LYS 44 5.705 -1.908 14.764 355 HG3 LYS 44 2HG LYS 44 7.157 -2.905 14.880 356 HD2 LYS 44 1HD LYS 44 7.001 -0.367 16.444 357 HD3 LYS 44 2HD LYS 44 6.128 -1.790 17.019 358 HE2 LYS 44 1HE LYS 44 8.182 -3.074 17.049 359 HE3 LYS 44 2HE LYS 44 9.073 -1.713 16.370 360 HZ1 LYS 44 3HZ LYS 44 8.316 -2.220 19.086 361 HZ2 LYS 44 1HZ LYS 44 7.879 -0.667 18.576 362 HZ3 LYS 44 2HZ LYS 44 9.491 -1.169 18.472 363 H LEU 45 H LEU 45 7.316 -1.329 10.008 364 HA LEU 45 HA LEU 45 9.793 -0.129 9.533 365 HB2 LEU 45 1HB LEU 45 7.320 -0.163 7.811 366 HB3 LEU 45 2HB LEU 45 8.925 0.308 7.256 367 HG LEU 45 HG LEU 45 9.460 -2.158 8.206 368 HD11 LEU 45 1HD1 LEU 45 7.473 -3.486 7.096 369 HD12 LEU 45 2HD1 LEU 45 6.555 -2.062 7.585 370 HD13 LEU 45 3HD1 LEU 45 7.425 -3.008 8.793 371 HD21 LEU 45 3HD2 LEU 45 8.781 -2.783 5.678 372 HD22 LEU 45 1HD2 LEU 45 10.235 -1.881 6.106 373 HD23 LEU 45 2HD2 LEU 45 8.792 -1.022 5.568 374 H LEU 46 H LEU 46 9.864 1.990 8.116 375 HA LEU 46 HA LEU 46 8.791 4.094 9.825 376 HB2 LEU 46 1HB LEU 46 10.573 5.328 9.239 377 HB3 LEU 46 2HB LEU 46 11.239 3.767 8.763 378 HG LEU 46 HG LEU 46 9.909 5.736 6.903 379 HD11 LEU 46 1HD1 LEU 46 12.424 5.902 8.026 380 HD12 LEU 46 2HD1 LEU 46 11.887 6.690 6.542 381 HD13 LEU 46 3HD1 LEU 46 12.714 5.135 6.465 382 HD21 LEU 46 3HD2 LEU 46 9.617 3.850 5.707 383 HD22 LEU 46 1HD2 LEU 46 10.826 2.952 6.625 384 HD23 LEU 46 2HD2 LEU 46 11.331 4.054 5.344 385 H GLY 47 H GLY 47 7.895 2.513 7.041 386 HA2 GLY 47 1HA GLY 47 5.735 4.234 6.503 387 HA3 GLY 47 2HA GLY 47 7.016 4.568 5.347 388 H LEU 48 H LEU 48 8.020 2.291 4.569 389 HA LEU 48 HA LEU 48 6.024 1.146 2.938 390 HB2 LEU 48 1HB LEU 48 8.344 1.231 2.252 391 HB3 LEU 48 2HB LEU 48 8.805 0.188 3.595 392 HG LEU 48 HG LEU 48 6.816 -0.995 1.801 393 HD11 LEU 48 1HD1 LEU 48 8.282 -1.394 -0.044 394 HD12 LEU 48 2HD1 LEU 48 9.604 -0.545 0.755 395 HD13 LEU 48 3HD1 LEU 48 8.184 0.348 0.211 396 HD21 LEU 48 3HD2 LEU 48 9.519 -2.068 2.519 397 HD22 LEU 48 1HD2 LEU 48 8.021 -2.942 2.202 398 HD23 LEU 48 2HD2 LEU 48 8.211 -2.035 3.703 399 H LYS 49 H LYS 49 5.205 -0.995 2.909 400 HA LYS 49 HA LYS 49 4.216 -2.826 3.826 401 HB2 LYS 49 1HB LYS 49 6.846 -2.685 5.206 402 HB3 LYS 49 2HB LYS 49 5.635 -3.758 5.895 403 HG2 LYS 49 1HG LYS 49 6.172 -3.916 2.975 404 HG3 LYS 49 2HG LYS 49 7.350 -4.604 4.096 405 HD2 LYS 49 1HD LYS 49 5.742 -6.091 5.010 406 HD3 LYS 49 2HD LYS 49 4.412 -5.255 4.205 407 HE2 LYS 49 1HE LYS 49 6.628 -6.742 2.800 408 HE3 LYS 49 2HE LYS 49 5.020 -7.390 3.116 409 HZ1 LYS 49 3HZ LYS 49 4.213 -5.332 1.858 410 HZ2 LYS 49 1HZ LYS 49 4.888 -6.595 0.957 411 HZ3 LYS 49 2HZ LYS 49 5.801 -5.210 1.287 412 H VAL 50 H VAL 50 2.635 -1.083 4.508 413 HA VAL 50 HA VAL 50 2.586 -0.466 7.338 414 HB VAL 50 HB VAL 50 1.828 1.255 5.824 415 HG11 VAL 50 1HG1 VAL 50 -0.066 -0.861 4.846 416 HG12 VAL 50 2HG1 VAL 50 -0.362 0.857 4.577 417 HG13 VAL 50 3HG1 VAL 50 1.088 0.098 3.920 418 HG21 VAL 50 3HG2 VAL 50 0.740 1.042 8.041 419 HG22 VAL 50 1HG2 VAL 50 -0.296 1.796 6.829 420 HG23 VAL 50 2HG2 VAL 50 -0.552 0.111 7.283 421 H LYS 51 H LYS 51 1.154 -1.254 8.840 422 HA LYS 51 HA LYS 51 0.089 -3.873 8.330 423 HB2 LYS 51 1HB LYS 51 -0.583 -3.816 10.696 424 HB3 LYS 51 2HB LYS 51 1.104 -3.363 10.486 425 HG2 LYS 51 1HG LYS 51 0.462 -0.992 10.667 426 HG3 LYS 51 2HG LYS 51 -1.206 -1.489 10.959 427 HD2 LYS 51 1HD LYS 51 -0.146 -2.922 12.866 428 HD3 LYS 51 2HD LYS 51 1.200 -1.790 12.708 429 HE2 LYS 51 1HE LYS 51 -1.671 -0.988 13.163 430 HE3 LYS 51 2HE LYS 51 -0.462 -1.139 14.437 431 HZ1 LYS 51 3HZ LYS 51 -0.545 0.812 12.216 432 HZ2 LYS 51 1HZ LYS 51 0.875 0.514 13.086 433 HZ3 LYS 51 2HZ LYS 51 -0.493 1.115 13.879 434 H GLY 52 H GLY 52 -2.127 -4.505 8.694 435 HA2 GLY 52 1HA GLY 52 -4.420 -4.247 8.588 436 HA3 GLY 52 2HA GLY 52 -4.195 -2.522 8.835 437 H LYS 53 H LYS 53 -2.242 -3.444 6.326 438 HA LYS 53 HA LYS 53 -3.972 -3.739 4.156 439 HB2 LYS 53 1HB LYS 53 -3.693 -1.368 3.220 440 HB3 LYS 53 2HB LYS 53 -4.895 -1.606 4.482 441 HG2 LYS 53 1HG LYS 53 -3.250 -0.783 6.139 442 HG3 LYS 53 2HG LYS 53 -2.139 -0.439 4.811 443 HD2 LYS 53 1HD LYS 53 -4.916 0.715 5.014 444 HD3 LYS 53 2HD LYS 53 -3.469 1.530 5.612 445 HE2 LYS 53 1HE LYS 53 -3.586 2.450 3.529 446 HE3 LYS 53 2HE LYS 53 -2.612 1.027 3.162 447 HZ1 LYS 53 3HZ LYS 53 -5.399 0.458 3.007 448 HZ2 LYS 53 1HZ LYS 53 -4.193 0.244 1.840 449 HZ3 LYS 53 2HZ LYS 53 -4.980 1.734 1.978 450 HA PRO 54 HA PRO 54 0.593 -4.203 3.436 451 HB2 PRO 54 1HB PRO 54 0.421 -6.738 2.480 452 HB3 PRO 54 2HB PRO 54 0.571 -6.369 4.202 453 HG2 PRO 54 1HG PRO 54 -1.876 -7.044 2.616 454 HG3 PRO 54 2HG PRO 54 -1.393 -7.614 4.224 455 HD2 PRO 54 1HD PRO 54 -3.219 -5.647 3.863 456 HD3 PRO 54 2HD PRO 54 -2.129 -5.693 5.264 457 H ALA 55 H ALA 55 1.680 -4.220 1.450 458 HA ALA 55 HA ALA 55 0.434 -3.086 -0.731 459 HB1 ALA 55 1HB ALA 55 2.884 -3.157 -0.330 460 HB2 ALA 55 2HB ALA 55 2.882 -4.839 -0.865 461 HB3 ALA 55 3HB ALA 55 2.425 -3.556 -1.986 462 H GLU 56 H GLU 56 0.359 -4.067 -2.988 463 HA GLU 56 HA GLU 56 -1.117 -6.596 -2.819 464 HB2 GLU 56 1HB GLU 56 -2.137 -4.478 -3.831 465 HB3 GLU 56 2HB GLU 56 -1.045 -4.733 -5.185 466 HG2 GLU 56 1HG GLU 56 -2.133 -6.639 -5.882 467 HG3 GLU 56 2HG GLU 56 -2.832 -6.946 -4.293 468 H ASN 57 H ASN 57 -0.794 -8.235 -4.418 469 HA ASN 57 HA ASN 57 1.954 -8.726 -4.969 470 HB2 ASN 57 1HB ASN 57 1.076 -10.751 -6.166 471 HB3 ASN 57 2HB ASN 57 0.522 -10.599 -4.501 472 HD21 ASN 57 2HD2 ASN 57 -1.603 -10.495 -4.092 473 HD22 ASN 57 1HD2 ASN 57 -2.836 -10.480 -5.302 474 H ASP 58 H ASP 58 -0.779 -7.621 -6.882 475 HA ASP 58 HA ASP 58 0.243 -7.904 -9.444 476 HB2 ASP 58 1HB ASP 58 -1.731 -6.075 -8.168 477 HB3 ASP 58 2HB ASP 58 -1.148 -5.652 -9.776 478 H VAL 59 H VAL 59 1.103 -5.656 -6.949 479 HA VAL 59 HA VAL 59 2.227 -3.566 -8.360 480 HB VAL 59 HB VAL 59 3.214 -4.823 -5.797 481 HG11 VAL 59 1HG1 VAL 59 3.901 -2.168 -7.051 482 HG12 VAL 59 2HG1 VAL 59 4.310 -2.637 -5.400 483 HG13 VAL 59 3HG1 VAL 59 4.996 -3.520 -6.764 484 HG21 VAL 59 3HG2 VAL 59 0.829 -3.801 -6.052 485 HG22 VAL 59 1HG2 VAL 59 1.815 -3.388 -4.649 486 HG23 VAL 59 2HG2 VAL 59 1.687 -2.261 -6.000 487 H LYS 60 H LYS 60 4.190 -3.155 -9.308 488 HA LYS 60 HA LYS 60 6.374 -4.993 -9.228 489 HB2 LYS 60 1HB LYS 60 6.286 -5.366 -11.776 490 HB3 LYS 60 2HB LYS 60 5.236 -6.344 -10.760 491 HG2 LYS 60 1HG LYS 60 3.358 -5.441 -11.602 492 HG3 LYS 60 2HG LYS 60 4.063 -3.828 -11.731 493 HD2 LYS 60 1HD LYS 60 3.743 -4.459 -13.951 494 HD3 LYS 60 2HD LYS 60 5.447 -4.823 -13.664 495 HE2 LYS 60 1HE LYS 60 4.986 -7.146 -13.410 496 HE3 LYS 60 2HE LYS 60 3.247 -6.860 -13.382 497 HZ1 LYS 60 3HZ LYS 60 3.262 -7.199 -15.558 498 HZ2 LYS 60 1HZ LYS 60 4.952 -7.264 -15.609 499 HZ3 LYS 60 2HZ LYS 60 4.159 -5.777 -15.751 500 H LEU 61 H LEU 61 7.999 -4.345 -11.088 501 HA LEU 61 HA LEU 61 8.723 -1.676 -10.642 502 HB2 LEU 61 1HB LEU 61 10.442 -3.157 -11.222 503 HB3 LEU 61 2HB LEU 61 9.581 -3.734 -12.647 504 HG LEU 61 HG LEU 61 10.007 -1.601 -13.769 505 HD11 LEU 61 1HD1 LEU 61 10.609 0.229 -12.673 506 HD12 LEU 61 2HD1 LEU 61 12.037 -0.576 -12.024 507 HD13 LEU 61 3HD1 LEU 61 10.501 -0.680 -11.165 508 HD21 LEU 61 3HD2 LEU 61 12.549 -1.815 -13.827 509 HD22 LEU 61 1HD2 LEU 61 11.608 -3.245 -14.250 510 HD23 LEU 61 2HD2 LEU 61 12.348 -3.117 -12.654 511 H GLY 62 H GLY 62 6.817 -3.176 -13.170 512 HA2 GLY 62 1HA GLY 62 6.799 -0.833 -14.850 513 HA3 GLY 62 2HA GLY 62 5.836 -2.286 -15.072 514 H ALA 63 H ALA 63 5.379 -1.406 -11.950 515 HA ALA 63 HA ALA 63 3.020 0.228 -12.629 516 HB1 ALA 63 1HB ALA 63 1.773 -0.839 -10.937 517 HB2 ALA 63 2HB ALA 63 2.597 -2.132 -11.810 518 HB3 ALA 63 3HB ALA 63 3.209 -1.595 -10.246 519 H LEU 64 H LEU 64 5.928 0.061 -10.884 520 HA LEU 64 HA LEU 64 5.113 2.305 -9.160 521 HB2 LEU 64 1HB LEU 64 7.538 0.561 -8.805 522 HB3 LEU 64 2HB LEU 64 6.852 1.703 -7.652 523 HG LEU 64 HG LEU 64 5.283 -0.692 -8.535 524 HD11 LEU 64 1HD1 LEU 64 7.768 -1.002 -7.463 525 HD12 LEU 64 2HD1 LEU 64 6.441 -2.150 -7.293 526 HD13 LEU 64 3HD1 LEU 64 6.753 -0.970 -6.021 527 HD21 LEU 64 3HD2 LEU 64 4.009 0.871 -7.309 528 HD22 LEU 64 1HD2 LEU 64 5.304 1.126 -6.139 529 HD23 LEU 64 2HD2 LEU 64 4.431 -0.407 -6.168 530 H LYS 65 H LYS 65 7.806 1.087 -11.135 531 HA LYS 65 HA LYS 65 9.456 2.148 -12.288 532 HB2 LYS 65 1HB LYS 65 7.240 4.171 -12.350 533 HB3 LYS 65 2HB LYS 65 8.808 4.554 -13.049 534 HG2 LYS 65 1HG LYS 65 7.272 2.095 -13.822 535 HG3 LYS 65 2HG LYS 65 7.030 3.653 -14.616 536 HD2 LYS 65 1HD LYS 65 9.608 3.618 -14.909 537 HD3 LYS 65 2HD LYS 65 9.449 1.887 -14.605 538 HE2 LYS 65 1HE LYS 65 7.650 1.933 -16.432 539 HE3 LYS 65 2HE LYS 65 8.304 3.516 -16.852 540 HZ1 LYS 65 3HZ LYS 65 10.487 1.865 -16.645 541 HZ2 LYS 65 1HZ LYS 65 9.785 2.435 -18.075 542 HZ3 LYS 65 2HZ LYS 65 9.329 0.931 -17.450 543 H LEU 66 H LEU 66 9.262 2.409 -9.314 544 HA LEU 66 HA LEU 66 10.482 4.990 -8.783 545 HB2 LEU 66 1HB LEU 66 9.350 2.788 -7.187 546 HB3 LEU 66 2HB LEU 66 10.705 3.642 -6.452 547 HG LEU 66 HG LEU 66 8.509 5.310 -7.529 548 HD11 LEU 66 1HD1 LEU 66 7.659 3.173 -6.167 549 HD12 LEU 66 2HD1 LEU 66 6.898 4.758 -6.042 550 HD13 LEU 66 3HD1 LEU 66 8.052 4.235 -4.815 551 HD21 LEU 66 3HD2 LEU 66 9.258 6.818 -6.013 552 HD22 LEU 66 1HD2 LEU 66 10.730 5.854 -6.143 553 HD23 LEU 66 2HD2 LEU 66 9.618 5.588 -4.800 554 H LYS 67 H LYS 67 12.388 4.691 -7.026 555 HA LYS 67 HA LYS 67 14.338 2.805 -8.168 556 HB2 LYS 67 1HB LYS 67 16.000 4.764 -7.510 557 HB3 LYS 67 2HB LYS 67 15.208 4.717 -9.079 558 HG2 LYS 67 1HG LYS 67 13.519 6.277 -8.298 559 HG3 LYS 67 2HG LYS 67 14.258 6.294 -6.695 560 HD2 LYS 67 1HD LYS 67 15.007 8.245 -7.831 561 HD3 LYS 67 2HD LYS 67 16.366 7.120 -7.788 562 HE2 LYS 67 1HE LYS 67 16.284 8.047 -9.978 563 HE3 LYS 67 2HE LYS 67 15.710 6.384 -10.092 564 HZ1 LYS 67 3HZ LYS 67 14.299 7.830 -11.371 565 HZ2 LYS 67 1HZ LYS 67 14.022 8.827 -10.033 566 HZ3 LYS 67 2HZ LYS 67 13.427 7.244 -10.045 567 HA PRO 68 HA PRO 68 15.373 1.623 -4.072 568 HB2 PRO 68 1HB PRO 68 18.066 1.308 -4.208 569 HB3 PRO 68 2HB PRO 68 16.929 0.193 -4.974 570 HG2 PRO 68 1HG PRO 68 18.486 2.443 -6.189 571 HG3 PRO 68 2HG PRO 68 18.198 0.811 -6.822 572 HD2 PRO 68 1HD PRO 68 16.801 2.970 -7.670 573 HD3 PRO 68 2HD PRO 68 16.091 1.345 -7.590 574 H ASN 69 H ASN 69 16.695 4.506 -5.392 575 HA ASN 69 HA ASN 69 18.320 5.446 -3.350 576 HB2 ASN 69 1HB ASN 69 17.929 6.511 -5.611 577 HB3 ASN 69 2HB ASN 69 16.430 7.168 -4.961 578 HD21 ASN 69 2HD2 ASN 69 19.739 6.827 -3.721 579 HD22 ASN 69 1HD2 ASN 69 19.926 8.488 -3.285 580 H THR 70 H THR 70 14.898 5.042 -3.430 581 HA THR 70 HA THR 70 13.936 6.894 -1.653 582 HB THR 70 HB THR 70 12.503 4.763 -0.839 583 HG1 THR 70 HG1 THR 70 14.080 3.522 -2.304 584 HG21 THR 70 3HG2 THR 70 11.608 6.716 -1.993 585 HG22 THR 70 1HG2 THR 70 10.973 5.234 -2.706 586 HG23 THR 70 2HG2 THR 70 12.256 6.126 -3.523 587 H LYS 71 H LYS 71 15.494 3.799 -0.880 588 HA LYS 71 HA LYS 71 16.503 3.031 1.008 589 HB2 LYS 71 1HB LYS 71 16.797 5.963 1.183 590 HB3 LYS 71 2HB LYS 71 16.984 5.098 2.703 591 HG2 LYS 71 1HG LYS 71 18.855 3.952 1.973 592 HG3 LYS 71 2HG LYS 71 18.467 4.200 0.269 593 HD2 LYS 71 1HD LYS 71 20.176 5.710 0.543 594 HD3 LYS 71 2HD LYS 71 18.780 6.731 0.893 595 HE2 LYS 71 1HE LYS 71 20.364 5.281 3.005 596 HE3 LYS 71 2HE LYS 71 20.693 6.939 2.507 597 HZ1 LYS 71 3HZ LYS 71 19.318 7.215 4.316 598 HZ2 LYS 71 1HZ LYS 71 18.360 5.869 3.949 599 HZ3 LYS 71 2HZ LYS 71 18.209 7.287 3.040 600 H ILE 72 H ILE 72 15.210 1.817 2.226 601 HA ILE 72 HA ILE 72 13.085 3.121 3.782 602 HB ILE 72 HB ILE 72 12.373 1.311 2.261 603 HG12 ILE 72 1HG1 ILE 72 11.470 1.809 4.729 604 HG13 ILE 72 2HG1 ILE 72 10.788 0.540 3.718 605 HG21 ILE 72 1HG2 ILE 72 14.298 -0.292 3.910 606 HG22 ILE 72 2HG2 ILE 72 12.961 -1.053 3.050 607 HG23 ILE 72 3HG2 ILE 72 14.189 -0.157 2.155 608 HD11 ILE 72 3HD1 ILE 72 11.811 -1.144 4.920 609 HD12 ILE 72 1HD1 ILE 72 13.040 -0.065 5.582 610 HD13 ILE 72 2HD1 ILE 72 11.379 0.023 6.171 611 H MET 73 H MET 73 12.830 2.701 5.983 612 HA MET 73 HA MET 73 15.154 1.451 7.297 613 HB2 MET 73 1HB MET 73 15.360 3.752 7.758 614 HB3 MET 73 2HB MET 73 13.629 3.946 8.004 615 HG2 MET 73 1HG MET 73 13.703 3.192 10.141 616 HG3 MET 73 2HG MET 73 15.065 2.117 9.834 617 HE1 MET 73 3HE MET 73 17.885 4.502 9.264 618 HE2 MET 73 1HE MET 73 17.955 3.383 10.625 619 HE3 MET 73 2HE MET 73 17.202 2.882 9.111 620 H MET 74 H MET 74 14.631 -0.337 8.353 621 HA MET 74 HA MET 74 11.857 -0.750 9.186 622 HB2 MET 74 1HB MET 74 14.169 -2.562 8.623 623 HB3 MET 74 2HB MET 74 12.878 -3.124 9.677 624 HG2 MET 74 1HG MET 74 11.368 -2.272 7.685 625 HG3 MET 74 2HG MET 74 12.845 -2.555 6.768 626 HE1 MET 74 3HE MET 74 10.849 -4.636 5.470 627 HE2 MET 74 1HE MET 74 12.553 -4.204 5.334 628 HE3 MET 74 2HE MET 74 12.089 -5.883 5.608 629 H MET 75 H MET 75 11.265 -1.204 11.287 630 HA MET 75 HA MET 75 13.354 -1.117 13.341 631 HB2 MET 75 1HB MET 75 12.584 1.155 13.234 632 HB3 MET 75 2HB MET 75 10.902 0.642 13.240 633 HG2 MET 75 1HG MET 75 11.051 -0.074 15.507 634 HG3 MET 75 2HG MET 75 12.797 0.162 15.522 635 HE1 MET 75 3HE MET 75 13.255 3.946 15.461 636 HE2 MET 75 1HE MET 75 13.862 2.597 16.422 637 HE3 MET 75 2HE MET 75 13.759 2.453 14.667 638 H GLY 76 H GLY 76 12.926 -2.305 15.175 639 HA2 GLY 76 1HA GLY 76 11.928 -3.904 16.485 640 HA3 GLY 76 2HA GLY 76 10.388 -3.251 15.945 641 H THR 77 H THR 77 12.501 -4.310 13.473 642 HA THR 77 HA THR 77 10.757 -6.620 13.000 643 HB THR 77 HB THR 77 11.768 -6.622 10.709 644 HG1 THR 77 HG1 THR 77 13.613 -5.532 10.712 645 HG21 THR 77 3HG2 THR 77 9.846 -4.887 11.810 646 HG22 THR 77 1HG2 THR 77 10.010 -5.383 10.126 647 HG23 THR 77 2HG2 THR 77 10.809 -3.917 10.696 648 H ARG 78 H ARG 78 12.360 -7.241 15.000 649 HA ARG 78 HA ARG 78 14.453 -8.914 13.774 650 HB2 ARG 78 1HB ARG 78 15.764 -8.664 15.849 651 HB3 ARG 78 2HB ARG 78 15.513 -7.127 15.032 652 HG2 ARG 78 1HG ARG 78 13.890 -6.446 16.618 653 HG3 ARG 78 2HG ARG 78 13.805 -8.063 17.320 654 HD2 ARG 78 1HD ARG 78 16.152 -7.840 18.044 655 HD3 ARG 78 2HD ARG 78 16.175 -6.200 17.398 656 HE ARG 78 HE ARG 78 14.082 -6.669 19.314 657 HH11 ARG 78 1HH1 ARG 78 17.410 -5.755 18.864 658 HH12 ARG 78 2HH1 ARG 78 17.513 -4.896 20.365 659 HH21 ARG 78 1HH2 ARG 78 14.204 -5.541 21.293 660 HH22 ARG 78 2HH2 ARG 78 15.689 -4.775 21.746 661 H GLU 79 H GLU 79 15.044 -10.810 15.190 662 HA GLU 79 HA GLU 79 12.570 -12.019 16.191 663 HB2 GLU 79 1HB GLU 79 13.768 -13.229 14.421 664 HB3 GLU 79 2HB GLU 79 15.202 -13.301 15.436 665 HG2 GLU 79 1HG GLU 79 12.617 -14.452 16.393 666 HG3 GLU 79 2HG GLU 79 13.645 -15.355 15.282 667 H GLU 80 H GLU 80 12.248 -12.253 18.297 668 HA GLU 80 HA GLU 80 14.590 -12.360 20.079 669 HB2 GLU 80 1HB GLU 80 13.303 -11.078 21.750 670 HB3 GLU 80 2HB GLU 80 13.591 -10.158 20.280 671 HG2 GLU 80 1HG GLU 80 11.388 -9.682 20.743 672 HG3 GLU 80 2HG GLU 80 11.253 -10.996 19.575 673 H SER 81 H SER 81 14.086 -13.322 22.226 674 HA SER 81 HA SER 81 12.699 -15.802 21.858 675 HB2 SER 81 1HB SER 81 13.561 -16.425 23.983 676 HB3 SER 81 2HB SER 81 14.818 -15.441 23.234 677 HG SER 81 HG SER 81 13.740 -15.058 25.566 Start of MODEL 8 1 H1 MET 1 H MET 1 1.076 0.447 0.322 2 HA MET 1 HA MET 1 1.333 -1.266 -2.007 3 HB2 MET 1 1HB MET 1 1.390 1.735 -2.141 4 HB3 MET 1 2HB MET 1 2.298 0.764 -3.292 5 HG2 MET 1 1HG MET 1 0.360 1.070 -4.446 6 HG3 MET 1 2HG MET 1 0.002 -0.444 -3.620 7 HE1 MET 1 3HE MET 1 -0.929 3.054 -4.377 8 HE2 MET 1 1HE MET 1 -2.179 1.908 -4.862 9 HE3 MET 1 2HE MET 1 -2.539 3.149 -3.661 10 H ALA 2 H ALA 2 3.498 -1.643 -2.628 11 HA ALA 2 HA ALA 2 5.460 -0.848 -0.581 12 HB1 ALA 2 1HB ALA 2 6.664 -2.933 -1.746 13 HB2 ALA 2 2HB ALA 2 5.540 -3.102 -0.397 14 HB3 ALA 2 3HB ALA 2 4.982 -3.369 -2.048 15 H LEU 3 H LEU 3 7.407 0.015 -1.169 16 HA LEU 3 HA LEU 3 7.731 0.654 -4.026 17 HB2 LEU 3 1HB LEU 3 8.942 2.203 -1.758 18 HB3 LEU 3 2HB LEU 3 8.745 2.697 -3.438 19 HG LEU 3 HG LEU 3 7.140 3.954 -2.356 20 HD11 LEU 3 1HD1 LEU 3 5.228 3.323 -3.376 21 HD12 LEU 3 2HD1 LEU 3 5.292 1.684 -2.731 22 HD13 LEU 3 3HD1 LEU 3 6.287 2.124 -4.119 23 HD21 LEU 3 3HD2 LEU 3 7.306 1.890 -0.383 24 HD22 LEU 3 1HD2 LEU 3 5.613 2.204 -0.765 25 HD23 LEU 3 2HD2 LEU 3 6.656 3.524 -0.235 26 HA PRO 4 HA PRO 4 11.523 -1.571 -4.058 27 HB2 PRO 4 1HB PRO 4 12.816 -0.254 -6.049 28 HB3 PRO 4 2HB PRO 4 11.466 -1.357 -6.345 29 HG2 PRO 4 1HG PRO 4 11.471 1.633 -6.195 30 HG3 PRO 4 2HG PRO 4 10.641 0.572 -7.348 31 HD2 PRO 4 1HD PRO 4 9.374 1.711 -5.243 32 HD3 PRO 4 2HD PRO 4 8.920 0.119 -5.884 33 H MET 5 H MET 5 12.214 -0.844 -1.943 34 HA MET 5 HA MET 5 14.426 1.083 -2.121 35 HB2 MET 5 1HB MET 5 12.876 0.930 0.419 36 HB3 MET 5 2HB MET 5 13.775 2.277 -0.267 37 HG2 MET 5 1HG MET 5 12.004 2.590 -1.935 38 HG3 MET 5 2HG MET 5 11.099 1.268 -1.202 39 HE1 MET 5 3HE MET 5 9.139 4.302 -0.769 40 HE2 MET 5 1HE MET 5 10.564 5.338 -0.832 41 HE3 MET 5 2HE MET 5 10.381 4.020 -1.990 42 H ILE 6 H ILE 6 15.882 0.890 -0.133 43 HA ILE 6 HA ILE 6 16.228 -1.970 0.480 44 HB ILE 6 HB ILE 6 18.317 0.210 0.410 45 HG12 ILE 6 1HG1 ILE 6 17.958 -2.172 -1.418 46 HG13 ILE 6 2HG1 ILE 6 17.438 -0.538 -1.813 47 HG21 ILE 6 1HG2 ILE 6 19.930 -1.600 0.753 48 HG22 ILE 6 2HG2 ILE 6 18.808 -1.464 2.106 49 HG23 ILE 6 3HG2 ILE 6 18.602 -2.749 0.916 50 HD11 ILE 6 3HD1 ILE 6 19.818 0.183 -1.528 51 HD12 ILE 6 1HD1 ILE 6 20.245 -1.523 -1.402 52 HD13 ILE 6 2HD1 ILE 6 19.516 -0.903 -2.884 53 H VAL 7 H VAL 7 16.410 -2.638 2.556 54 HA VAL 7 HA VAL 7 15.971 -0.610 4.633 55 HB VAL 7 HB VAL 7 14.265 -2.271 4.669 56 HG11 VAL 7 1HG1 VAL 7 16.532 -4.234 4.511 57 HG12 VAL 7 2HG1 VAL 7 14.922 -4.706 5.056 58 HG13 VAL 7 3HG1 VAL 7 15.149 -4.058 3.431 59 HG21 VAL 7 3HG2 VAL 7 16.232 -2.965 6.848 60 HG22 VAL 7 1HG2 VAL 7 15.170 -1.556 6.856 61 HG23 VAL 7 2HG2 VAL 7 14.482 -3.180 6.898 62 H LYS 8 H LYS 8 17.419 -0.242 6.204 63 HA LYS 8 HA LYS 8 19.627 -2.141 6.575 64 HB2 LYS 8 1HB LYS 8 20.083 0.837 6.482 65 HB3 LYS 8 2HB LYS 8 21.288 -0.443 6.496 66 HG2 LYS 8 1HG LYS 8 20.290 -1.154 4.251 67 HG3 LYS 8 2HG LYS 8 19.503 0.426 4.252 68 HD2 LYS 8 1HD LYS 8 21.583 1.563 4.267 69 HD3 LYS 8 2HD LYS 8 22.469 0.082 4.638 70 HE2 LYS 8 1HE LYS 8 22.835 0.478 2.346 71 HE3 LYS 8 2HE LYS 8 21.627 -0.804 2.414 72 HZ1 LYS 8 3HZ LYS 8 20.549 0.515 0.975 73 HZ2 LYS 8 1HZ LYS 8 21.389 1.910 1.433 74 HZ3 LYS 8 2HZ LYS 8 20.079 1.371 2.356 75 H TRP 9 H TRP 9 18.135 -2.610 8.419 76 HA TRP 9 HA TRP 9 18.173 -0.625 10.554 77 HB2 TRP 9 1HB TRP 9 16.090 -1.878 10.093 78 HB3 TRP 9 2HB TRP 9 16.920 -3.379 10.491 79 HD1 TRP 9 HD1 TRP 9 16.046 -4.157 12.763 80 HE1 TRP 9 HE1 TRP 9 15.588 -3.054 15.043 81 HE3 TRP 9 HE3 TRP 9 17.078 0.698 11.537 82 HZ2 TRP 9 HZ2 TRP 9 15.655 -0.468 16.172 83 HZ3 TRP 9 HZ3 TRP 9 16.856 2.425 13.274 84 HH2 TRP 9 HH2 TRP 9 16.158 1.853 15.543 85 H GLY 10 H GLY 10 19.010 -1.072 12.650 86 HA2 GLY 10 1HA GLY 10 21.568 -2.085 12.760 87 HA3 GLY 10 2HA GLY 10 20.520 -1.920 14.161 88 H GLY 11 H GLY 11 18.550 -3.828 13.048 89 HA2 GLY 11 1HA GLY 11 19.779 -6.217 14.095 90 HA3 GLY 11 2HA GLY 11 18.116 -6.049 13.552 91 H GLN 12 H GLN 12 18.438 -5.249 10.948 92 HA GLN 12 HA GLN 12 20.224 -7.127 9.637 93 HB2 GLN 12 1HB GLN 12 18.373 -8.113 8.298 94 HB3 GLN 12 2HB GLN 12 18.304 -8.534 10.004 95 HG2 GLN 12 1HG GLN 12 16.698 -6.500 10.168 96 HG3 GLN 12 2HG GLN 12 16.532 -6.726 8.428 97 HE21 GLN 12 2HE2 GLN 12 14.546 -7.544 8.236 98 HE22 GLN 12 1HE2 GLN 12 13.984 -8.980 9.013 99 H GLU 13 H GLU 13 20.492 -6.722 7.389 100 HA GLU 13 HA GLU 13 19.390 -4.145 6.483 101 HB2 GLU 13 1HB GLU 13 21.743 -3.885 7.134 102 HB3 GLU 13 2HB GLU 13 22.195 -5.184 6.040 103 HG2 GLU 13 1HG GLU 13 20.891 -3.533 4.345 104 HG3 GLU 13 2HG GLU 13 21.571 -2.372 5.483 105 H TYR 14 H TYR 14 17.767 -5.444 5.413 106 HA TYR 14 HA TYR 14 18.700 -7.083 3.182 107 HB2 TYR 14 1HB TYR 14 16.593 -7.388 4.921 108 HB3 TYR 14 2HB TYR 14 15.804 -6.733 3.491 109 HD1 TYR 14 HD1 TYR 14 18.587 -9.177 4.028 110 HD2 TYR 14 HD2 TYR 14 14.797 -8.396 2.259 111 HE1 TYR 14 HE1 TYR 14 18.616 -11.409 2.997 112 HE2 TYR 14 HE2 TYR 14 14.815 -10.627 1.223 113 HH TYR 14 HH TYR 14 17.085 -12.337 0.579 114 H SER 15 H SER 15 16.692 -6.786 1.363 115 HA SER 15 HA SER 15 16.629 -3.939 0.665 116 HB2 SER 15 1HB SER 15 17.318 -4.421 -1.637 117 HB3 SER 15 2HB SER 15 18.568 -4.927 -0.501 118 HG SER 15 HG SER 15 17.502 -6.393 -2.343 119 H VAL 16 H VAL 16 14.462 -3.697 0.887 120 HA VAL 16 HA VAL 16 12.606 -5.645 -0.159 121 HB VAL 16 HB VAL 16 10.860 -4.035 0.570 122 HG11 VAL 16 1HG1 VAL 16 11.434 -4.160 3.023 123 HG12 VAL 16 2HG1 VAL 16 11.502 -5.688 2.144 124 HG13 VAL 16 3HG1 VAL 16 12.992 -4.830 2.541 125 HG21 VAL 16 3HG2 VAL 16 11.814 -1.917 0.306 126 HG22 VAL 16 1HG2 VAL 16 11.751 -2.139 2.055 127 HG23 VAL 16 2HG2 VAL 16 13.273 -2.361 1.192 128 H THR 17 H THR 17 13.998 -5.048 -2.294 129 HA THR 17 HA THR 17 13.042 -2.776 -3.750 130 HB THR 17 HB THR 17 15.265 -3.785 -4.180 131 HG1 THR 17 HG1 THR 17 14.912 -3.862 -6.566 132 HG21 THR 17 3HG2 THR 17 14.355 -5.890 -5.937 133 HG22 THR 17 1HG2 THR 17 13.832 -6.179 -4.279 134 HG23 THR 17 2HG2 THR 17 15.544 -5.952 -4.636 135 H THR 18 H THR 18 12.157 -3.213 -6.059 136 HA THR 18 HA THR 18 9.710 -4.759 -5.717 137 HB THR 18 HB THR 18 9.629 -2.406 -6.568 138 HG1 THR 18 HG1 THR 18 7.966 -3.977 -7.037 139 HG21 THR 18 3HG2 THR 18 10.272 -1.931 -8.845 140 HG22 THR 18 1HG2 THR 18 10.780 -3.601 -9.091 141 HG23 THR 18 2HG2 THR 18 11.671 -2.563 -7.978 142 H LEU 19 H LEU 19 12.750 -5.282 -6.938 143 HA LEU 19 HA LEU 19 13.659 -6.974 -8.159 144 HB2 LEU 19 1HB LEU 19 10.940 -8.157 -8.566 145 HB3 LEU 19 2HB LEU 19 12.497 -8.973 -8.434 146 HG LEU 19 HG LEU 19 11.134 -7.596 -6.126 147 HD11 LEU 19 1HD1 LEU 19 10.195 -9.845 -7.381 148 HD12 LEU 19 2HD1 LEU 19 9.902 -9.407 -5.699 149 HD13 LEU 19 3HD1 LEU 19 11.216 -10.509 -6.106 150 HD21 LEU 19 3HD2 LEU 19 12.751 -9.497 -5.091 151 HD22 LEU 19 1HD2 LEU 19 13.228 -7.817 -5.332 152 HD23 LEU 19 2HD2 LEU 19 13.668 -9.037 -6.527 153 H SER 20 H SER 20 13.012 -8.296 -10.390 154 HA SER 20 HA SER 20 12.932 -6.206 -12.354 155 HB2 SER 20 1HB SER 20 14.264 -8.461 -12.379 156 HB3 SER 20 2HB SER 20 12.774 -9.119 -13.055 157 HG SER 20 HG SER 20 14.065 -8.438 -14.742 158 H GLU 21 H GLU 21 11.479 -6.199 -14.206 159 HA GLU 21 HA GLU 21 8.797 -6.092 -13.503 160 HB2 GLU 21 1HB GLU 21 8.340 -5.974 -15.935 161 HB3 GLU 21 2HB GLU 21 9.638 -4.900 -15.431 162 HG2 GLU 21 1HG GLU 21 11.285 -6.521 -16.238 163 HG3 GLU 21 2HG GLU 21 9.976 -7.578 -16.764 164 H ASP 22 H ASP 22 10.637 -8.710 -14.984 165 HA ASP 22 HA ASP 22 8.533 -10.405 -15.672 166 HB2 ASP 22 1HB ASP 22 11.363 -11.009 -14.809 167 HB3 ASP 22 2HB ASP 22 10.250 -12.249 -15.380 168 H ASP 23 H ASP 23 10.030 -9.769 -12.581 169 HA ASP 23 HA ASP 23 8.507 -11.916 -11.309 170 HB2 ASP 23 1HB ASP 23 10.483 -10.000 -10.056 171 HB3 ASP 23 2HB ASP 23 9.825 -11.462 -9.327 172 H THR 24 H THR 24 7.999 -10.936 -8.838 173 HA THR 24 HA THR 24 6.563 -8.422 -9.070 174 HB THR 24 HB THR 24 4.525 -9.746 -7.984 175 HG1 THR 24 HG1 THR 24 5.771 -11.643 -9.712 176 HG21 THR 24 3HG2 THR 24 4.597 -8.321 -10.075 177 HG22 THR 24 1HG2 THR 24 3.413 -9.627 -10.079 178 HG23 THR 24 2HG2 THR 24 4.925 -9.804 -10.970 179 H VAL 25 H VAL 25 5.431 -7.911 -6.936 180 HA VAL 25 HA VAL 25 7.316 -8.005 -4.853 181 HB VAL 25 HB VAL 25 4.378 -7.315 -4.794 182 HG11 VAL 25 1HG1 VAL 25 6.321 -7.610 -2.629 183 HG12 VAL 25 2HG1 VAL 25 5.501 -6.047 -2.650 184 HG13 VAL 25 3HG1 VAL 25 4.560 -7.537 -2.572 185 HG21 VAL 25 3HG2 VAL 25 6.893 -5.804 -5.271 186 HG22 VAL 25 1HG2 VAL 25 5.308 -5.634 -6.027 187 HG23 VAL 25 2HG2 VAL 25 5.586 -4.993 -4.408 188 H LEU 26 H LEU 26 4.583 -10.043 -5.634 189 HA LEU 26 HA LEU 26 4.136 -11.332 -3.231 190 HB2 LEU 26 1HB LEU 26 3.355 -13.238 -4.570 191 HB3 LEU 26 2HB LEU 26 2.728 -11.696 -5.148 192 HG LEU 26 HG LEU 26 4.868 -11.952 -6.758 193 HD11 LEU 26 1HD1 LEU 26 4.103 -14.661 -7.197 194 HD12 LEU 26 2HD1 LEU 26 4.648 -14.485 -5.530 195 HD13 LEU 26 3HD1 LEU 26 5.703 -14.001 -6.857 196 HD21 LEU 26 3HD2 LEU 26 2.523 -11.525 -7.399 197 HD22 LEU 26 1HD2 LEU 26 2.190 -13.250 -7.248 198 HD23 LEU 26 2HD2 LEU 26 3.324 -12.676 -8.470 199 H ASP 27 H ASP 27 6.634 -11.942 -5.649 200 HA ASP 27 HA ASP 27 7.669 -14.325 -4.670 201 HB2 ASP 27 1HB ASP 27 8.358 -13.303 -6.804 202 HB3 ASP 27 2HB ASP 27 9.198 -12.032 -5.920 203 H LEU 28 H LEU 28 9.319 -11.212 -4.174 204 HA LEU 28 HA LEU 28 10.943 -11.984 -2.095 205 HB2 LEU 28 1HB LEU 28 11.393 -9.743 -1.731 206 HB3 LEU 28 2HB LEU 28 10.863 -9.781 -3.411 207 HG LEU 28 HG LEU 28 8.524 -9.212 -2.260 208 HD11 LEU 28 1HD1 LEU 28 9.762 -7.331 -0.563 209 HD12 LEU 28 2HD1 LEU 28 10.409 -8.916 -0.141 210 HD13 LEU 28 3HD1 LEU 28 8.667 -8.642 -0.125 211 HD21 LEU 28 3HD2 LEU 28 10.765 -7.514 -3.230 212 HD22 LEU 28 1HD2 LEU 28 9.369 -6.723 -2.498 213 HD23 LEU 28 2HD2 LEU 28 9.155 -7.761 -3.908 214 H LYS 29 H LYS 29 7.570 -11.077 -2.005 215 HA LYS 29 HA LYS 29 7.197 -10.543 0.681 216 HB2 LYS 29 1HB LYS 29 5.514 -10.517 -1.291 217 HB3 LYS 29 2HB LYS 29 5.224 -12.199 -0.867 218 HG2 LYS 29 1HG LYS 29 4.701 -11.420 1.460 219 HG3 LYS 29 2HG LYS 29 4.763 -9.768 0.841 220 HD2 LYS 29 1HD LYS 29 3.020 -11.836 -0.453 221 HD3 LYS 29 2HD LYS 29 2.475 -10.956 0.976 222 HE2 LYS 29 1HE LYS 29 3.457 -9.637 -1.550 223 HE3 LYS 29 2HE LYS 29 1.759 -9.957 -1.201 224 HZ1 LYS 29 3HZ LYS 29 3.022 -8.620 0.967 225 HZ2 LYS 29 1HZ LYS 29 1.655 -8.167 0.079 226 HZ3 LYS 29 2HZ LYS 29 3.197 -7.737 -0.465 227 H GLN 30 H GLN 30 7.068 -13.708 -0.944 228 HA GLN 30 HA GLN 30 6.656 -15.168 1.463 229 HB2 GLN 30 1HB GLN 30 6.573 -17.034 0.140 230 HB3 GLN 30 2HB GLN 30 6.261 -15.805 -1.078 231 HG2 GLN 30 1HG GLN 30 8.646 -15.832 -1.680 232 HG3 GLN 30 2HG GLN 30 8.906 -17.120 -0.504 233 HE21 GLN 30 2HE2 GLN 30 9.187 -18.963 -1.522 234 HE22 GLN 30 1HE2 GLN 30 8.272 -19.534 -2.871 235 H PHE 31 H PHE 31 9.468 -14.081 -0.286 236 HA PHE 31 HA PHE 31 11.361 -15.789 0.954 237 HB2 PHE 31 1HB PHE 31 11.427 -13.402 -0.776 238 HB3 PHE 31 2HB PHE 31 12.824 -13.591 0.278 239 HD1 PHE 31 HD2 PHE 31 10.771 -15.402 -2.231 240 HD2 PHE 31 HD1 PHE 31 14.549 -15.031 -0.305 241 HE1 PHE 31 HE2 PHE 31 11.728 -17.036 -3.801 242 HE2 PHE 31 HE1 PHE 31 15.512 -16.664 -1.873 243 HZ PHE 31 HZ PHE 31 14.101 -17.670 -3.623 244 H LEU 32 H LEU 32 10.125 -12.573 1.718 245 HA LEU 32 HA LEU 32 11.914 -12.066 3.862 246 HB2 LEU 32 1HB LEU 32 9.206 -10.920 3.211 247 HB3 LEU 32 2HB LEU 32 10.249 -10.319 4.498 248 HG LEU 32 HG LEU 32 10.759 -10.217 1.529 249 HD11 LEU 32 1HD1 LEU 32 9.208 -8.542 2.584 250 HD12 LEU 32 2HD1 LEU 32 10.616 -7.865 1.768 251 HD13 LEU 32 3HD1 LEU 32 10.586 -7.976 3.528 252 HD21 LEU 32 3HD2 LEU 32 12.581 -9.786 3.861 253 HD22 LEU 32 1HD2 LEU 32 12.799 -8.859 2.376 254 HD23 LEU 32 2HD2 LEU 32 12.889 -10.620 2.337 255 H LYS 33 H LYS 33 8.675 -13.457 3.668 256 HA LYS 33 HA LYS 33 8.185 -13.620 6.437 257 HB2 LYS 33 1HB LYS 33 7.138 -15.393 4.223 258 HB3 LYS 33 2HB LYS 33 6.463 -15.268 5.842 259 HG2 LYS 33 1HG LYS 33 5.522 -13.223 5.446 260 HG3 LYS 33 2HG LYS 33 6.713 -12.791 4.217 261 HD2 LYS 33 1HD LYS 33 5.071 -13.260 2.759 262 HD3 LYS 33 2HD LYS 33 5.494 -14.945 3.072 263 HE2 LYS 33 1HE LYS 33 3.203 -14.935 3.402 264 HE3 LYS 33 2HE LYS 33 3.823 -14.740 5.041 265 HZ1 LYS 33 3HZ LYS 33 2.868 -12.756 5.217 266 HZ2 LYS 33 1HZ LYS 33 2.012 -13.120 3.803 267 HZ3 LYS 33 2HZ LYS 33 3.451 -12.235 3.717 268 H THR 34 H THR 34 9.870 -15.734 4.200 269 HA THR 34 HA THR 34 10.217 -17.800 6.214 270 HB THR 34 HB THR 34 11.430 -19.036 4.483 271 HG1 THR 34 HG1 THR 34 12.361 -17.881 2.981 272 HG21 THR 34 3HG2 THR 34 9.563 -19.092 2.747 273 HG22 THR 34 1HG2 THR 34 8.789 -17.825 3.697 274 HG23 THR 34 2HG2 THR 34 9.100 -19.403 4.420 275 H LEU 35 H LEU 35 11.959 -15.120 4.871 276 HA LEU 35 HA LEU 35 14.544 -15.969 5.797 277 HB2 LEU 35 1HB LEU 35 14.395 -14.533 3.871 278 HB3 LEU 35 2HB LEU 35 13.523 -13.315 4.800 279 HG LEU 35 HG LEU 35 15.860 -13.538 6.205 280 HD11 LEU 35 1HD1 LEU 35 17.329 -14.631 4.922 281 HD12 LEU 35 2HD1 LEU 35 17.378 -13.148 3.970 282 HD13 LEU 35 3HD1 LEU 35 16.330 -14.478 3.477 283 HD21 LEU 35 3HD2 LEU 35 16.478 -11.422 4.982 284 HD22 LEU 35 1HD2 LEU 35 14.871 -11.443 5.709 285 HD23 LEU 35 2HD2 LEU 35 15.056 -11.686 3.972 286 H THR 36 H THR 36 12.176 -13.526 6.829 287 HA THR 36 HA THR 36 13.496 -13.499 9.466 288 HB THR 36 HB THR 36 13.875 -11.332 8.752 289 HG1 THR 36 HG1 THR 36 12.609 -10.134 10.072 290 HG21 THR 36 3HG2 THR 36 12.277 -9.985 7.461 291 HG22 THR 36 1HG2 THR 36 11.136 -11.329 7.476 292 HG23 THR 36 2HG2 THR 36 12.675 -11.488 6.630 293 H GLY 37 H GLY 37 10.432 -13.299 7.714 294 HA2 GLY 37 1HA GLY 37 8.271 -13.712 8.371 295 HA3 GLY 37 2HA GLY 37 8.984 -14.862 9.492 296 H VAL 38 H VAL 38 9.731 -11.463 9.662 297 HA VAL 38 HA VAL 38 8.334 -11.348 12.246 298 HB VAL 38 HB VAL 38 10.561 -9.611 11.171 299 HG11 VAL 38 1HG1 VAL 38 9.668 -8.110 12.595 300 HG12 VAL 38 2HG1 VAL 38 8.754 -9.333 13.479 301 HG13 VAL 38 3HG1 VAL 38 10.469 -9.094 13.820 302 HG21 VAL 38 3HG2 VAL 38 11.023 -11.115 13.624 303 HG22 VAL 38 1HG2 VAL 38 10.714 -12.146 12.226 304 HG23 VAL 38 2HG2 VAL 38 12.025 -10.967 12.180 305 H LEU 39 H LEU 39 8.269 -10.135 9.054 306 HA LEU 39 HA LEU 39 7.109 -7.607 9.460 307 HB2 LEU 39 1HB LEU 39 6.355 -9.276 7.110 308 HB3 LEU 39 2HB LEU 39 6.728 -7.556 7.191 309 HG LEU 39 HG LEU 39 8.673 -9.857 7.205 310 HD11 LEU 39 1HD1 LEU 39 7.962 -9.370 5.003 311 HD12 LEU 39 2HD1 LEU 39 9.534 -8.596 5.199 312 HD13 LEU 39 3HD1 LEU 39 8.060 -7.631 5.278 313 HD21 LEU 39 3HD2 LEU 39 9.828 -8.490 8.600 314 HD22 LEU 39 1HD2 LEU 39 8.974 -7.041 8.069 315 HD23 LEU 39 2HD2 LEU 39 10.262 -7.720 7.073 316 HA PRO 40 HA PRO 40 2.863 -9.903 8.978 317 HB2 PRO 40 1HB PRO 40 2.893 -12.586 9.389 318 HB3 PRO 40 2HB PRO 40 3.119 -11.855 7.795 319 HG2 PRO 40 1HG PRO 40 5.171 -12.899 9.708 320 HG3 PRO 40 2HG PRO 40 5.075 -13.104 7.950 321 HD2 PRO 40 1HD PRO 40 6.715 -11.294 9.118 322 HD3 PRO 40 2HD PRO 40 5.966 -11.019 7.532 323 H GLU 41 H GLU 41 5.240 -10.326 11.350 324 HA GLU 41 HA GLU 41 3.272 -11.024 13.413 325 HB2 GLU 41 1HB GLU 41 6.274 -10.871 13.701 326 HB3 GLU 41 2HB GLU 41 5.132 -11.576 14.837 327 HG2 GLU 41 1HG GLU 41 5.689 -12.608 12.065 328 HG3 GLU 41 2HG GLU 41 6.354 -13.268 13.557 329 H ARG 42 H ARG 42 6.176 -8.959 13.346 330 HA ARG 42 HA ARG 42 4.625 -6.656 14.179 331 HB2 ARG 42 1HB ARG 42 6.217 -6.292 16.145 332 HB3 ARG 42 2HB ARG 42 4.966 -7.511 16.343 333 HG2 ARG 42 1HG ARG 42 6.513 -9.278 16.040 334 HG3 ARG 42 2HG ARG 42 7.771 -8.169 15.490 335 HD2 ARG 42 1HD ARG 42 7.997 -8.999 17.861 336 HD3 ARG 42 2HD ARG 42 8.035 -7.249 17.653 337 HE ARG 42 HE ARG 42 5.399 -8.141 18.189 338 HH11 ARG 42 1HH1 ARG 42 8.475 -7.562 19.713 339 HH12 ARG 42 2HH1 ARG 42 7.790 -7.252 21.274 340 HH21 ARG 42 1HH2 ARG 42 4.485 -7.735 20.239 341 HH22 ARG 42 2HH2 ARG 42 5.521 -7.351 21.572 342 H GLN 43 H GLN 43 5.529 -4.773 13.531 343 HA GLN 43 HA GLN 43 8.328 -4.455 13.071 344 HB2 GLN 43 1HB GLN 43 8.414 -4.362 10.728 345 HB3 GLN 43 2HB GLN 43 7.476 -5.810 11.069 346 HG2 GLN 43 1HG GLN 43 6.402 -3.126 10.236 347 HG3 GLN 43 2HG GLN 43 6.474 -4.589 9.256 348 HE21 GLN 43 2HE2 GLN 43 4.282 -2.783 10.430 349 HE22 GLN 43 1HE2 GLN 43 3.150 -3.911 11.085 350 H LYS 44 H LYS 44 8.689 -2.308 11.790 351 HA LYS 44 HA LYS 44 6.578 -0.373 11.946 352 HB2 LYS 44 1HB LYS 44 8.566 -0.617 14.127 353 HB3 LYS 44 2HB LYS 44 8.264 1.012 13.538 354 HG2 LYS 44 1HG LYS 44 5.788 0.485 13.869 355 HG3 LYS 44 2HG LYS 44 6.341 -0.903 14.810 356 HD2 LYS 44 1HD LYS 44 7.536 1.736 15.446 357 HD3 LYS 44 2HD LYS 44 5.853 1.477 15.911 358 HE2 LYS 44 1HE LYS 44 6.732 -0.747 16.909 359 HE3 LYS 44 2HE LYS 44 8.314 0.025 16.812 360 HZ1 LYS 44 3HZ LYS 44 6.281 1.681 18.002 361 HZ2 LYS 44 1HZ LYS 44 7.852 1.345 18.534 362 HZ3 LYS 44 2HZ LYS 44 6.594 0.267 18.876 363 H LEU 45 H LEU 45 7.083 0.058 9.810 364 HA LEU 45 HA LEU 45 9.789 0.943 9.165 365 HB2 LEU 45 1HB LEU 45 7.409 0.683 7.338 366 HB3 LEU 45 2HB LEU 45 9.095 0.882 6.866 367 HG LEU 45 HG LEU 45 9.406 -1.392 8.127 368 HD11 LEU 45 1HD1 LEU 45 7.348 -1.827 9.080 369 HD12 LEU 45 2HD1 LEU 45 7.278 -2.774 7.594 370 HD13 LEU 45 3HD1 LEU 45 6.455 -1.217 7.686 371 HD21 LEU 45 3HD2 LEU 45 8.218 -0.996 5.394 372 HD22 LEU 45 1HD2 LEU 45 8.763 -2.570 5.975 373 HD23 LEU 45 2HD2 LEU 45 9.910 -1.238 5.830 374 H LEU 46 H LEU 46 9.821 2.873 7.551 375 HA LEU 46 HA LEU 46 8.731 5.127 8.966 376 HB2 LEU 46 1HB LEU 46 9.867 6.403 7.072 377 HB3 LEU 46 2HB LEU 46 10.889 5.482 8.173 378 HG LEU 46 HG LEU 46 11.106 3.714 6.496 379 HD11 LEU 46 1HD1 LEU 46 9.114 5.393 5.069 380 HD12 LEU 46 2HD1 LEU 46 9.249 3.638 5.176 381 HD13 LEU 46 3HD1 LEU 46 10.329 4.542 4.115 382 HD21 LEU 46 3HD2 LEU 46 12.892 5.125 6.286 383 HD22 LEU 46 1HD2 LEU 46 11.887 6.522 5.902 384 HD23 LEU 46 2HD2 LEU 46 12.187 5.288 4.677 385 H GLY 47 H GLY 47 7.590 3.111 6.541 386 HA2 GLY 47 1HA GLY 47 5.176 4.452 6.194 387 HA3 GLY 47 2HA GLY 47 6.225 4.953 4.876 388 H LEU 48 H LEU 48 7.608 2.524 4.495 389 HA LEU 48 HA LEU 48 5.820 1.185 2.775 390 HB2 LEU 48 1HB LEU 48 8.039 1.042 2.138 391 HB3 LEU 48 2HB LEU 48 8.585 0.651 3.768 392 HG LEU 48 HG LEU 48 7.546 -1.604 3.494 393 HD11 LEU 48 1HD1 LEU 48 6.406 -2.219 1.671 394 HD12 LEU 48 2HD1 LEU 48 7.525 -1.405 0.577 395 HD13 LEU 48 3HD1 LEU 48 6.245 -0.488 1.371 396 HD21 LEU 48 3HD2 LEU 48 9.459 -2.451 2.613 397 HD22 LEU 48 1HD2 LEU 48 9.994 -0.786 2.840 398 HD23 LEU 48 2HD2 LEU 48 9.461 -1.332 1.249 399 H LYS 49 H LYS 49 4.899 -0.873 2.897 400 HA LYS 49 HA LYS 49 3.778 -2.588 3.886 401 HB2 LYS 49 1HB LYS 49 6.306 -2.429 5.462 402 HB3 LYS 49 2HB LYS 49 5.014 -3.457 6.068 403 HG2 LYS 49 1HG LYS 49 5.995 -3.681 3.245 404 HG3 LYS 49 2HG LYS 49 6.797 -4.516 4.577 405 HD2 LYS 49 1HD LYS 49 4.680 -5.620 5.146 406 HD3 LYS 49 2HD LYS 49 3.894 -4.796 3.796 407 HE2 LYS 49 1HE LYS 49 5.723 -5.884 2.349 408 HE3 LYS 49 2HE LYS 49 5.994 -6.939 3.736 409 HZ1 LYS 49 3HZ LYS 49 3.310 -6.583 2.544 410 HZ2 LYS 49 1HZ LYS 49 3.848 -7.816 3.570 411 HZ3 LYS 49 2HZ LYS 49 4.394 -7.749 1.971 412 H VAL 50 H VAL 50 2.229 -0.749 4.341 413 HA VAL 50 HA VAL 50 2.049 0.154 7.074 414 HB VAL 50 HB VAL 50 1.316 1.662 5.339 415 HG11 VAL 50 1HG1 VAL 50 0.151 1.036 3.549 416 HG12 VAL 50 2HG1 VAL 50 0.288 -0.624 4.130 417 HG13 VAL 50 3HG1 VAL 50 -1.128 0.343 4.545 418 HG21 VAL 50 3HG2 VAL 50 -1.187 0.735 6.721 419 HG22 VAL 50 1HG2 VAL 50 0.125 1.538 7.585 420 HG23 VAL 50 2HG2 VAL 50 -0.718 2.378 6.283 421 H LYS 51 H LYS 51 0.556 -0.452 8.610 422 HA LYS 51 HA LYS 51 -0.422 -3.142 8.427 423 HB2 LYS 51 1HB LYS 51 0.467 -1.859 10.507 424 HB3 LYS 51 2HB LYS 51 -1.169 -1.223 10.613 425 HG2 LYS 51 1HG LYS 51 -2.074 -3.260 11.159 426 HG3 LYS 51 2HG LYS 51 -0.770 -4.167 10.389 427 HD2 LYS 51 1HD LYS 51 0.616 -3.977 12.202 428 HD3 LYS 51 2HD LYS 51 -0.102 -2.452 12.727 429 HE2 LYS 51 1HE LYS 51 -0.839 -3.949 14.338 430 HE3 LYS 51 2HE LYS 51 -2.199 -3.880 13.219 431 HZ1 LYS 51 3HZ LYS 51 -0.122 -5.936 12.869 432 HZ2 LYS 51 1HZ LYS 51 -1.749 -5.968 12.404 433 HZ3 LYS 51 2HZ LYS 51 -1.331 -6.157 14.032 434 H GLY 52 H GLY 52 -2.487 -3.862 8.176 435 HA2 GLY 52 1HA GLY 52 -4.813 -3.735 7.997 436 HA3 GLY 52 2HA GLY 52 -4.710 -1.992 8.199 437 H LYS 53 H LYS 53 -2.469 -2.455 5.972 438 HA LYS 53 HA LYS 53 -4.136 -2.901 3.652 439 HB2 LYS 53 1HB LYS 53 -3.044 -0.179 4.341 440 HB3 LYS 53 2HB LYS 53 -3.411 -0.638 2.683 441 HG2 LYS 53 1HG LYS 53 -5.738 -1.278 3.697 442 HG3 LYS 53 2HG LYS 53 -5.252 -0.157 4.972 443 HD2 LYS 53 1HD LYS 53 -5.116 0.590 2.064 444 HD3 LYS 53 2HD LYS 53 -6.594 0.789 3.009 445 HE2 LYS 53 1HE LYS 53 -5.378 2.203 4.598 446 HE3 LYS 53 2HE LYS 53 -3.907 2.005 3.648 447 HZ1 LYS 53 3HZ LYS 53 -4.939 4.085 3.105 448 HZ2 LYS 53 1HZ LYS 53 -6.414 3.328 2.765 449 HZ3 LYS 53 2HZ LYS 53 -5.073 3.054 1.770 450 HA PRO 54 HA PRO 54 0.358 -4.075 3.281 451 HB2 PRO 54 1HB PRO 54 -0.121 -6.634 2.511 452 HB3 PRO 54 2HB PRO 54 -0.003 -6.147 4.206 453 HG2 PRO 54 1HG PRO 54 -2.442 -6.613 2.535 454 HG3 PRO 54 2HG PRO 54 -2.120 -7.108 4.207 455 HD2 PRO 54 1HD PRO 54 -3.634 -4.949 3.593 456 HD3 PRO 54 2HD PRO 54 -2.629 -5.026 5.054 457 H ALA 55 H ALA 55 1.485 -4.042 1.394 458 HA ALA 55 HA ALA 55 0.373 -3.130 -0.952 459 HB1 ALA 55 1HB ALA 55 2.821 -3.193 -0.277 460 HB2 ALA 55 2HB ALA 55 2.844 -4.838 -0.913 461 HB3 ALA 55 3HB ALA 55 2.459 -3.487 -1.979 462 H GLU 56 H GLU 56 -0.086 -4.086 -2.975 463 HA GLU 56 HA GLU 56 -1.202 -6.764 -2.742 464 HB2 GLU 56 1HB GLU 56 -2.419 -4.760 -3.770 465 HB3 GLU 56 2HB GLU 56 -1.355 -4.968 -5.154 466 HG2 GLU 56 1HG GLU 56 -2.312 -6.972 -5.763 467 HG3 GLU 56 2HG GLU 56 -2.933 -7.287 -4.144 468 H ASN 57 H ASN 57 -0.727 -8.463 -4.176 469 HA ASN 57 HA ASN 57 1.985 -8.803 -4.799 470 HB2 ASN 57 1HB ASN 57 1.187 -10.822 -6.077 471 HB3 ASN 57 2HB ASN 57 0.630 -10.740 -4.409 472 HD21 ASN 57 2HD2 ASN 57 -1.531 -10.353 -3.982 473 HD22 ASN 57 1HD2 ASN 57 -2.752 -10.488 -5.198 474 H ASP 58 H ASP 58 -0.693 -7.578 -6.668 475 HA ASP 58 HA ASP 58 0.297 -7.829 -9.252 476 HB2 ASP 58 1HB ASP 58 -1.993 -6.978 -8.493 477 HB3 ASP 58 2HB ASP 58 -1.222 -5.408 -8.292 478 H VAL 59 H VAL 59 1.278 -5.722 -6.688 479 HA VAL 59 HA VAL 59 2.474 -3.633 -8.066 480 HB VAL 59 HB VAL 59 3.406 -4.951 -5.512 481 HG11 VAL 59 1HG1 VAL 59 4.526 -2.788 -5.071 482 HG12 VAL 59 2HG1 VAL 59 5.206 -3.648 -6.453 483 HG13 VAL 59 3HG1 VAL 59 4.125 -2.278 -6.710 484 HG21 VAL 59 3HG2 VAL 59 2.135 -3.282 -4.365 485 HG22 VAL 59 1HG2 VAL 59 1.751 -2.458 -5.877 486 HG23 VAL 59 2HG2 VAL 59 1.071 -4.051 -5.542 487 H LYS 60 H LYS 60 4.461 -3.289 -8.988 488 HA LYS 60 HA LYS 60 6.587 -5.183 -8.889 489 HB2 LYS 60 1HB LYS 60 6.517 -5.630 -11.407 490 HB3 LYS 60 2HB LYS 60 5.378 -6.517 -10.403 491 HG2 LYS 60 1HG LYS 60 3.601 -5.580 -11.382 492 HG3 LYS 60 2HG LYS 60 4.340 -3.978 -11.415 493 HD2 LYS 60 1HD LYS 60 4.216 -4.454 -13.663 494 HD3 LYS 60 2HD LYS 60 5.837 -5.041 -13.284 495 HE2 LYS 60 1HE LYS 60 5.099 -7.294 -13.215 496 HE3 LYS 60 2HE LYS 60 3.404 -6.811 -13.236 497 HZ1 LYS 60 3HZ LYS 60 5.048 -7.392 -15.411 498 HZ2 LYS 60 1HZ LYS 60 4.678 -5.744 -15.498 499 HZ3 LYS 60 2HZ LYS 60 3.434 -6.888 -15.433 500 H LEU 61 H LEU 61 8.125 -4.607 -10.944 501 HA LEU 61 HA LEU 61 8.979 -1.960 -10.470 502 HB2 LEU 61 1HB LEU 61 10.535 -3.686 -11.116 503 HB3 LEU 61 2HB LEU 61 9.703 -3.906 -12.654 504 HG LEU 61 HG LEU 61 10.396 -1.612 -13.301 505 HD11 LEU 61 1HD1 LEU 61 10.867 -1.243 -10.637 506 HD12 LEU 61 2HD1 LEU 61 11.461 -0.202 -11.931 507 HD13 LEU 61 3HD1 LEU 61 12.497 -1.470 -11.274 508 HD21 LEU 61 3HD2 LEU 61 12.411 -3.730 -12.652 509 HD22 LEU 61 1HD2 LEU 61 12.902 -2.216 -13.410 510 HD23 LEU 61 2HD2 LEU 61 11.740 -3.269 -14.217 511 H GLY 62 H GLY 62 6.993 -3.414 -12.973 512 HA2 GLY 62 1HA GLY 62 6.989 -1.066 -14.641 513 HA3 GLY 62 2HA GLY 62 5.986 -2.494 -14.845 514 H ALA 63 H ALA 63 5.604 -1.629 -11.716 515 HA ALA 63 HA ALA 63 3.281 0.078 -12.340 516 HB1 ALA 63 1HB ALA 63 2.941 -2.344 -11.461 517 HB2 ALA 63 2HB ALA 63 3.378 -1.646 -9.901 518 HB3 ALA 63 3HB ALA 63 1.982 -1.028 -10.784 519 H LEU 64 H LEU 64 6.219 -0.164 -10.671 520 HA LEU 64 HA LEU 64 5.499 2.107 -8.938 521 HB2 LEU 64 1HB LEU 64 7.821 0.233 -8.550 522 HB3 LEU 64 2HB LEU 64 7.200 1.429 -7.414 523 HG LEU 64 HG LEU 64 5.463 -0.850 -8.266 524 HD11 LEU 64 1HD1 LEU 64 6.693 -2.398 -7.268 525 HD12 LEU 64 2HD1 LEU 64 6.778 -1.430 -5.796 526 HD13 LEU 64 3HD1 LEU 64 7.982 -1.210 -7.066 527 HD21 LEU 64 3HD2 LEU 64 4.709 -0.523 -5.866 528 HD22 LEU 64 1HD2 LEU 64 4.340 0.783 -6.993 529 HD23 LEU 64 2HD2 LEU 64 5.686 0.946 -5.865 530 H LYS 65 H LYS 65 7.808 0.834 -11.245 531 HA LYS 65 HA LYS 65 9.708 1.767 -12.170 532 HB2 LYS 65 1HB LYS 65 9.107 3.955 -13.321 533 HB3 LYS 65 2HB LYS 65 8.084 2.572 -13.686 534 HG2 LYS 65 1HG LYS 65 6.436 3.401 -12.047 535 HG3 LYS 65 2HG LYS 65 7.449 4.823 -11.789 536 HD2 LYS 65 1HD LYS 65 7.268 5.035 -14.399 537 HD3 LYS 65 2HD LYS 65 5.822 4.049 -14.169 538 HE2 LYS 65 1HE LYS 65 5.149 6.335 -14.122 539 HE3 LYS 65 2HE LYS 65 5.057 5.720 -12.472 540 HZ1 LYS 65 3HZ LYS 65 6.647 7.843 -13.524 541 HZ2 LYS 65 1HZ LYS 65 7.594 6.712 -12.695 542 HZ3 LYS 65 2HZ LYS 65 6.294 7.461 -11.914 543 H LEU 66 H LEU 66 10.003 2.014 -9.479 544 HA LEU 66 HA LEU 66 10.908 4.784 -9.071 545 HB2 LEU 66 1HB LEU 66 9.700 2.768 -7.333 546 HB3 LEU 66 2HB LEU 66 11.111 3.556 -6.630 547 HG LEU 66 HG LEU 66 9.333 5.516 -7.760 548 HD11 LEU 66 1HD1 LEU 66 7.838 3.423 -7.025 549 HD12 LEU 66 2HD1 LEU 66 7.319 5.096 -6.824 550 HD13 LEU 66 3HD1 LEU 66 8.011 4.218 -5.460 551 HD21 LEU 66 3HD2 LEU 66 9.350 6.204 -5.283 552 HD22 LEU 66 1HD2 LEU 66 10.876 6.228 -6.167 553 HD23 LEU 66 2HD2 LEU 66 10.511 4.892 -5.075 554 H LYS 67 H LYS 67 12.795 4.705 -7.290 555 HA LYS 67 HA LYS 67 14.805 2.780 -8.260 556 HB2 LYS 67 1HB LYS 67 16.425 4.767 -7.673 557 HB3 LYS 67 2HB LYS 67 15.610 4.707 -9.230 558 HG2 LYS 67 1HG LYS 67 14.108 6.385 -8.649 559 HG3 LYS 67 2HG LYS 67 14.409 6.186 -6.921 560 HD2 LYS 67 1HD LYS 67 15.477 8.207 -7.630 561 HD3 LYS 67 2HD LYS 67 16.735 7.011 -7.309 562 HE2 LYS 67 1HE LYS 67 17.085 6.625 -9.617 563 HE3 LYS 67 2HE LYS 67 15.614 7.491 -10.059 564 HZ1 LYS 67 3HZ LYS 67 17.221 9.249 -8.615 565 HZ2 LYS 67 1HZ LYS 67 16.819 9.319 -10.257 566 HZ3 LYS 67 2HZ LYS 67 18.216 8.505 -9.763 567 HA PRO 68 HA PRO 68 15.733 1.775 -4.091 568 HB2 PRO 68 1HB PRO 68 18.431 1.485 -4.144 569 HB3 PRO 68 2HB PRO 68 17.326 0.327 -4.893 570 HG2 PRO 68 1HG PRO 68 18.891 2.542 -6.160 571 HG3 PRO 68 2HG PRO 68 18.636 0.883 -6.732 572 HD2 PRO 68 1HD PRO 68 17.240 2.990 -7.704 573 HD3 PRO 68 2HD PRO 68 16.545 1.361 -7.575 574 H ASN 69 H ASN 69 17.035 4.623 -5.492 575 HA ASN 69 HA ASN 69 18.599 5.660 -3.439 576 HB2 ASN 69 1HB ASN 69 18.372 6.651 -5.713 577 HB3 ASN 69 2HB ASN 69 16.767 7.225 -5.269 578 HD21 ASN 69 2HD2 ASN 69 20.177 7.638 -4.857 579 HD22 ASN 69 1HD2 ASN 69 20.104 9.154 -4.031 580 H THR 70 H THR 70 15.176 5.257 -3.644 581 HA THR 70 HA THR 70 14.173 7.181 -1.956 582 HB THR 70 HB THR 70 12.682 5.053 -1.172 583 HG1 THR 70 HG1 THR 70 14.266 3.826 -2.642 584 HG21 THR 70 3HG2 THR 70 11.195 5.598 -3.052 585 HG22 THR 70 1HG2 THR 70 12.505 6.491 -3.823 586 HG23 THR 70 2HG2 THR 70 11.840 7.051 -2.289 587 H LYS 71 H LYS 71 15.578 4.045 -1.048 588 HA LYS 71 HA LYS 71 16.509 3.303 0.891 589 HB2 LYS 71 1HB LYS 71 16.934 6.183 0.929 590 HB3 LYS 71 2HB LYS 71 16.806 5.512 2.550 591 HG2 LYS 71 1HG LYS 71 18.514 3.769 1.731 592 HG3 LYS 71 2HG LYS 71 18.814 4.908 0.416 593 HD2 LYS 71 1HD LYS 71 18.955 5.630 3.341 594 HD3 LYS 71 2HD LYS 71 20.352 5.152 2.373 595 HE2 LYS 71 1HE LYS 71 20.085 7.045 0.935 596 HE3 LYS 71 2HE LYS 71 18.539 7.457 1.677 597 HZ1 LYS 71 3HZ LYS 71 19.550 8.531 3.328 598 HZ2 LYS 71 1HZ LYS 71 20.945 8.489 2.373 599 HZ3 LYS 71 2HZ LYS 71 20.699 7.312 3.563 600 H ILE 72 H ILE 72 15.360 2.172 2.300 601 HA ILE 72 HA ILE 72 13.131 3.509 3.692 602 HB ILE 72 HB ILE 72 12.354 1.784 2.121 603 HG12 ILE 72 1HG1 ILE 72 11.452 2.218 4.599 604 HG13 ILE 72 2HG1 ILE 72 10.732 1.013 3.537 605 HG21 ILE 72 1HG2 ILE 72 14.106 0.248 1.959 606 HG22 ILE 72 2HG2 ILE 72 14.212 0.047 3.707 607 HG23 ILE 72 3HG2 ILE 72 12.846 -0.632 2.823 608 HD11 ILE 72 3HD1 ILE 72 11.682 -0.750 4.682 609 HD12 ILE 72 1HD1 ILE 72 12.947 0.255 5.388 610 HD13 ILE 72 2HD1 ILE 72 11.288 0.385 5.973 611 H MET 73 H MET 73 12.803 3.059 5.875 612 HA MET 73 HA MET 73 15.009 1.639 7.216 613 HB2 MET 73 1HB MET 73 13.689 4.250 7.889 614 HB3 MET 73 2HB MET 73 14.455 3.288 9.146 615 HG2 MET 73 1HG MET 73 16.260 4.501 8.616 616 HG3 MET 73 2HG MET 73 16.424 3.323 7.317 617 HE1 MET 73 3HE MET 73 18.026 5.343 6.196 618 HE2 MET 73 1HE MET 73 17.389 6.963 5.909 619 HE3 MET 73 2HE MET 73 17.584 6.372 7.559 620 H MET 74 H MET 74 14.434 0.039 8.544 621 HA MET 74 HA MET 74 11.598 -0.154 9.319 622 HB2 MET 74 1HB MET 74 13.605 -2.357 8.817 623 HB3 MET 74 2HB MET 74 11.976 -2.612 9.428 624 HG2 MET 74 1HG MET 74 11.218 -1.387 7.297 625 HG3 MET 74 2HG MET 74 12.848 -1.716 6.714 626 HE1 MET 74 3HE MET 74 10.169 -3.182 8.767 627 HE2 MET 74 1HE MET 74 9.275 -4.017 7.496 628 HE3 MET 74 2HE MET 74 10.350 -4.925 8.559 629 H MET 75 H MET 75 11.087 -0.878 11.411 630 HA MET 75 HA MET 75 13.304 -1.072 13.318 631 HB2 MET 75 1HB MET 75 12.668 1.222 13.503 632 HB3 MET 75 2HB MET 75 10.957 0.814 13.512 633 HG2 MET 75 1HG MET 75 10.961 0.225 15.701 634 HG3 MET 75 2HG MET 75 12.633 -0.330 15.664 635 HE1 MET 75 3HE MET 75 10.606 1.531 17.458 636 HE2 MET 75 1HE MET 75 12.118 1.424 18.360 637 HE3 MET 75 2HE MET 75 11.434 3.002 17.971 638 H GLY 76 H GLY 76 12.943 -2.425 15.042 639 HA2 GLY 76 1HA GLY 76 11.724 -3.816 16.472 640 HA3 GLY 76 2HA GLY 76 10.275 -3.462 15.543 641 H THR 77 H THR 77 12.562 -4.202 13.324 642 HA THR 77 HA THR 77 11.401 -6.727 12.717 643 HB THR 77 HB THR 77 13.192 -6.868 10.969 644 HG1 THR 77 HG1 THR 77 13.892 -4.232 11.747 645 HG21 THR 77 3HG2 THR 77 12.439 -4.467 9.992 646 HG22 THR 77 1HG2 THR 77 11.221 -4.688 11.247 647 HG23 THR 77 2HG2 THR 77 11.405 -5.895 9.975 648 H ARG 78 H ARG 78 11.775 -7.922 14.665 649 HA ARG 78 HA ARG 78 14.225 -8.429 15.853 650 HB2 ARG 78 1HB ARG 78 11.938 -9.119 16.682 651 HB3 ARG 78 2HB ARG 78 12.020 -10.468 15.557 652 HG2 ARG 78 1HG ARG 78 13.897 -11.399 16.698 653 HG3 ARG 78 2HG ARG 78 14.054 -9.966 17.715 654 HD2 ARG 78 1HD ARG 78 11.757 -11.920 17.702 655 HD3 ARG 78 2HD ARG 78 12.993 -11.764 18.950 656 HE ARG 78 HE ARG 78 11.841 -9.282 18.763 657 HH11 ARG 78 1HH1 ARG 78 10.725 -12.514 19.421 658 HH12 ARG 78 2HH1 ARG 78 9.424 -11.997 20.441 659 HH21 ARG 78 1HH2 ARG 78 10.131 -8.589 20.105 660 HH22 ARG 78 2HH2 ARG 78 9.086 -9.764 20.829 661 H GLU 79 H GLU 79 15.535 -10.407 15.787 662 HA GLU 79 HA GLU 79 15.492 -11.925 13.314 663 HB2 GLU 79 1HB GLU 79 17.811 -11.401 12.734 664 HB3 GLU 79 2HB GLU 79 16.810 -9.957 12.703 665 HG2 GLU 79 1HG GLU 79 17.818 -9.046 14.547 666 HG3 GLU 79 2HG GLU 79 18.308 -10.613 15.188 667 H GLU 80 H GLU 80 17.382 -13.545 13.322 668 HA GLU 80 HA GLU 80 18.234 -15.416 14.306 669 HB2 GLU 80 1HB GLU 80 19.658 -13.399 15.210 670 HB3 GLU 80 2HB GLU 80 18.892 -13.806 16.740 671 HG2 GLU 80 1HG GLU 80 20.979 -14.918 16.675 672 HG3 GLU 80 2HG GLU 80 19.729 -16.139 16.447 673 H SER 81 H SER 81 15.577 -15.436 14.564 674 HA SER 81 HA SER 81 15.176 -16.975 16.939 675 HB2 SER 81 1HB SER 81 14.179 -14.174 16.805 676 HB3 SER 81 2HB SER 81 13.090 -15.387 17.477 677 HG SER 81 HG SER 81 14.568 -15.838 19.054 Start of MODEL 9 1 H1 MET 1 H MET 1 1.484 1.337 0.382 2 HA MET 1 HA MET 1 1.209 -0.964 -1.439 3 HB2 MET 1 1HB MET 1 2.071 1.863 -2.016 4 HB3 MET 1 2HB MET 1 2.476 0.532 -3.091 5 HG2 MET 1 1HG MET 1 0.160 0.079 -3.500 6 HG3 MET 1 2HG MET 1 -0.328 1.261 -2.288 7 HE1 MET 1 3HE MET 1 -1.339 1.696 -5.815 8 HE2 MET 1 1HE MET 1 -1.891 1.656 -4.140 9 HE3 MET 1 2HE MET 1 -1.708 3.201 -4.972 10 H ALA 2 H ALA 2 3.484 -1.182 -2.663 11 HA ALA 2 HA ALA 2 5.533 -1.274 -0.545 12 HB1 ALA 2 1HB ALA 2 4.641 -3.285 -2.508 13 HB2 ALA 2 2HB ALA 2 6.382 -3.171 -2.251 14 HB3 ALA 2 3HB ALA 2 5.310 -3.493 -0.889 15 H LEU 3 H LEU 3 7.072 0.182 -0.887 16 HA LEU 3 HA LEU 3 7.676 1.041 -3.615 17 HB2 LEU 3 1HB LEU 3 8.964 2.211 -1.192 18 HB3 LEU 3 2HB LEU 3 8.562 2.977 -2.728 19 HG LEU 3 HG LEU 3 6.087 2.504 -1.849 20 HD11 LEU 3 1HD1 LEU 3 6.273 1.588 0.215 21 HD12 LEU 3 2HD1 LEU 3 6.367 3.285 0.682 22 HD13 LEU 3 3HD1 LEU 3 7.842 2.330 0.528 23 HD21 LEU 3 3HD2 LEU 3 7.733 4.702 -2.169 24 HD22 LEU 3 1HD2 LEU 3 7.133 4.860 -0.518 25 HD23 LEU 3 2HD2 LEU 3 5.996 4.730 -1.860 26 HA PRO 4 HA PRO 4 11.329 -1.431 -3.787 27 HB2 PRO 4 1HB PRO 4 12.552 -0.152 -5.846 28 HB3 PRO 4 2HB PRO 4 11.167 -1.227 -6.069 29 HG2 PRO 4 1HG PRO 4 11.242 1.763 -5.939 30 HG3 PRO 4 2HG PRO 4 10.335 0.714 -7.044 31 HD2 PRO 4 1HD PRO 4 9.196 1.891 -4.888 32 HD3 PRO 4 2HD PRO 4 8.677 0.305 -5.495 33 H MET 5 H MET 5 11.947 -0.488 -1.637 34 HA MET 5 HA MET 5 14.178 1.414 -1.938 35 HB2 MET 5 1HB MET 5 12.837 0.982 0.697 36 HB3 MET 5 2HB MET 5 13.667 2.408 0.087 37 HG2 MET 5 1HG MET 5 11.770 2.763 -1.479 38 HG3 MET 5 2HG MET 5 10.932 1.429 -0.689 39 HE1 MET 5 3HE MET 5 8.997 4.441 0.090 40 HE2 MET 5 1HE MET 5 10.404 5.441 -0.273 41 HE3 MET 5 2HE MET 5 9.996 4.081 -1.319 42 H ILE 6 H ILE 6 15.861 1.163 -0.182 43 HA ILE 6 HA ILE 6 16.389 -1.706 0.221 44 HB ILE 6 HB ILE 6 18.343 0.590 0.044 45 HG12 ILE 6 1HG1 ILE 6 17.983 -1.770 -1.810 46 HG13 ILE 6 2HG1 ILE 6 17.266 -0.188 -2.096 47 HG21 ILE 6 1HG2 ILE 6 19.632 -0.731 1.314 48 HG22 ILE 6 2HG2 ILE 6 18.600 -2.138 1.064 49 HG23 ILE 6 3HG2 ILE 6 19.808 -1.705 -0.146 50 HD11 ILE 6 3HD1 ILE 6 19.217 -0.262 -3.393 51 HD12 ILE 6 1HD1 ILE 6 19.615 0.738 -1.996 52 HD13 ILE 6 2HD1 ILE 6 20.169 -0.935 -2.070 53 H VAL 7 H VAL 7 16.892 -2.484 2.216 54 HA VAL 7 HA VAL 7 16.488 -0.643 4.462 55 HB VAL 7 HB VAL 7 16.392 -3.659 4.336 56 HG11 VAL 7 1HG1 VAL 7 17.268 -3.102 6.477 57 HG12 VAL 7 2HG1 VAL 7 16.108 -1.787 6.679 58 HG13 VAL 7 3HG1 VAL 7 15.556 -3.463 6.696 59 HG21 VAL 7 3HG2 VAL 7 14.494 -2.176 3.401 60 HG22 VAL 7 1HG2 VAL 7 14.080 -3.491 4.501 61 HG23 VAL 7 2HG2 VAL 7 14.142 -1.831 5.095 62 H LYS 8 H LYS 8 18.103 -0.076 5.767 63 HA LYS 8 HA LYS 8 20.518 -1.744 5.860 64 HB2 LYS 8 1HB LYS 8 20.537 1.269 5.605 65 HB3 LYS 8 2HB LYS 8 21.947 0.225 5.730 66 HG2 LYS 8 1HG LYS 8 21.040 -0.882 3.585 67 HG3 LYS 8 2HG LYS 8 20.064 0.581 3.435 68 HD2 LYS 8 1HD LYS 8 22.190 1.902 3.643 69 HD3 LYS 8 2HD LYS 8 23.070 0.376 3.530 70 HE2 LYS 8 1HE LYS 8 23.022 1.314 1.348 71 HE3 LYS 8 2HE LYS 8 21.880 -0.029 1.355 72 HZ1 LYS 8 3HZ LYS 8 21.067 2.036 0.254 73 HZ2 LYS 8 1HZ LYS 8 21.077 2.795 1.766 74 HZ3 LYS 8 2HZ LYS 8 20.065 1.468 1.493 75 H TRP 9 H TRP 9 19.348 -2.369 7.871 76 HA TRP 9 HA TRP 9 19.435 -0.379 10.003 77 HB2 TRP 9 1HB TRP 9 17.460 -1.893 9.735 78 HB3 TRP 9 2HB TRP 9 18.504 -3.253 10.137 79 HD1 TRP 9 HD1 TRP 9 17.960 -3.980 12.524 80 HE1 TRP 9 HE1 TRP 9 17.547 -2.792 14.770 81 HE3 TRP 9 HE3 TRP 9 18.189 0.872 10.931 82 HZ2 TRP 9 HZ2 TRP 9 17.345 -0.148 15.738 83 HZ3 TRP 9 HZ3 TRP 9 17.875 2.671 12.580 84 HH2 TRP 9 HH2 TRP 9 17.461 2.169 14.933 85 H GLY 10 H GLY 10 20.477 -0.856 12.047 86 HA2 GLY 10 1HA GLY 10 23.151 -1.663 11.753 87 HA3 GLY 10 2HA GLY 10 22.328 -1.411 13.285 88 H GLY 11 H GLY 11 20.332 -3.540 12.202 89 HA2 GLY 11 1HA GLY 11 21.920 -5.817 13.189 90 HA3 GLY 11 2HA GLY 11 20.172 -5.679 13.300 91 H GLN 12 H GLN 12 19.562 -4.933 10.690 92 HA GLN 12 HA GLN 12 20.613 -7.130 9.051 93 HB2 GLN 12 1HB GLN 12 17.731 -6.531 9.668 94 HB3 GLN 12 2HB GLN 12 18.193 -7.390 8.205 95 HG2 GLN 12 1HG GLN 12 18.783 -9.272 9.324 96 HG3 GLN 12 2HG GLN 12 19.278 -8.392 10.769 97 HE21 GLN 12 2HE2 GLN 12 18.004 -10.391 11.541 98 HE22 GLN 12 1HE2 GLN 12 16.331 -10.118 11.870 99 H GLU 13 H GLU 13 20.754 -6.722 6.871 100 HA GLU 13 HA GLU 13 19.820 -4.097 5.935 101 HB2 GLU 13 1HB GLU 13 22.182 -3.856 6.429 102 HB3 GLU 13 2HB GLU 13 22.559 -5.294 5.491 103 HG2 GLU 13 1HG GLU 13 21.909 -4.197 3.453 104 HG3 GLU 13 2HG GLU 13 21.361 -2.781 4.350 105 H TYR 14 H TYR 14 18.090 -5.273 4.952 106 HA TYR 14 HA TYR 14 18.830 -7.083 2.773 107 HB2 TYR 14 1HB TYR 14 16.086 -6.407 3.852 108 HB3 TYR 14 2HB TYR 14 16.466 -7.670 2.686 109 HD1 TYR 14 HD2 TYR 14 18.856 -8.898 3.886 110 HD2 TYR 14 HD1 TYR 14 15.266 -7.532 5.718 111 HE1 TYR 14 HE2 TYR 14 19.192 -10.498 5.724 112 HE2 TYR 14 HE1 TYR 14 15.593 -9.128 7.561 113 HH TYR 14 HH TYR 14 16.991 -11.539 7.682 114 H SER 15 H SER 15 16.790 -6.762 1.016 115 HA SER 15 HA SER 15 16.894 -3.945 0.184 116 HB2 SER 15 1HB SER 15 17.365 -4.593 -2.117 117 HB3 SER 15 2HB SER 15 18.621 -5.228 -1.055 118 HG SER 15 HG SER 15 17.786 -7.244 -1.259 119 H VAL 16 H VAL 16 14.822 -3.354 0.361 120 HA VAL 16 HA VAL 16 12.690 -5.191 -0.386 121 HB VAL 16 HB VAL 16 12.356 -2.356 0.581 122 HG11 VAL 16 1HG1 VAL 16 10.190 -2.796 0.396 123 HG12 VAL 16 2HG1 VAL 16 10.565 -4.402 -0.233 124 HG13 VAL 16 3HG1 VAL 16 10.365 -4.158 1.503 125 HG21 VAL 16 3HG2 VAL 16 12.174 -3.246 2.847 126 HG22 VAL 16 1HG2 VAL 16 12.578 -4.857 2.254 127 HG23 VAL 16 2HG2 VAL 16 13.772 -3.562 2.171 128 H THR 17 H THR 17 14.175 -4.574 -2.583 129 HA THR 17 HA THR 17 13.090 -2.334 -4.014 130 HB THR 17 HB THR 17 15.378 -3.204 -4.443 131 HG1 THR 17 HG1 THR 17 15.230 -2.639 -6.525 132 HG21 THR 17 3HG2 THR 17 13.974 -5.667 -4.747 133 HG22 THR 17 1HG2 THR 17 15.713 -5.380 -4.781 134 HG23 THR 17 2HG2 THR 17 14.773 -5.285 -6.271 135 H THR 18 H THR 18 12.310 -2.888 -6.379 136 HA THR 18 HA THR 18 9.938 -4.559 -6.036 137 HB THR 18 HB THR 18 9.630 -2.263 -6.884 138 HG1 THR 18 HG1 THR 18 9.031 -3.990 -9.036 139 HG21 THR 18 3HG2 THR 18 10.445 -1.551 -8.993 140 HG22 THR 18 1HG2 THR 18 11.006 -3.170 -9.405 141 HG23 THR 18 2HG2 THR 18 11.828 -2.247 -8.148 142 H LEU 19 H LEU 19 13.019 -4.867 -7.258 143 HA LEU 19 HA LEU 19 14.059 -6.421 -8.551 144 HB2 LEU 19 1HB LEU 19 11.440 -7.905 -8.448 145 HB3 LEU 19 2HB LEU 19 13.027 -8.579 -8.814 146 HG LEU 19 HG LEU 19 13.556 -7.687 -6.372 147 HD11 LEU 19 1HD1 LEU 19 10.593 -7.790 -6.546 148 HD12 LEU 19 2HD1 LEU 19 11.638 -6.729 -5.601 149 HD13 LEU 19 3HD1 LEU 19 11.364 -8.391 -5.077 150 HD21 LEU 19 3HD2 LEU 19 12.188 -10.091 -5.881 151 HD22 LEU 19 1HD2 LEU 19 13.905 -9.873 -6.220 152 HD23 LEU 19 2HD2 LEU 19 12.778 -10.186 -7.541 153 H SER 20 H SER 20 13.367 -7.979 -10.641 154 HA SER 20 HA SER 20 12.955 -6.067 -12.716 155 HB2 SER 20 1HB SER 20 13.117 -9.088 -12.826 156 HB3 SER 20 2HB SER 20 13.134 -8.026 -14.233 157 HG SER 20 HG SER 20 15.160 -7.616 -13.869 158 H GLU 21 H GLU 21 11.326 -6.265 -14.419 159 HA GLU 21 HA GLU 21 8.712 -6.266 -13.381 160 HB2 GLU 21 1HB GLU 21 7.992 -6.081 -15.740 161 HB3 GLU 21 2HB GLU 21 9.277 -4.952 -15.334 162 HG2 GLU 21 1HG GLU 21 10.889 -6.625 -16.316 163 HG3 GLU 21 2HG GLU 21 9.479 -7.485 -16.933 164 H ASP 22 H ASP 22 10.638 -8.751 -14.894 165 HA ASP 22 HA ASP 22 8.697 -10.566 -15.674 166 HB2 ASP 22 1HB ASP 22 11.473 -10.987 -14.570 167 HB3 ASP 22 2HB ASP 22 10.473 -12.320 -15.144 168 H ASP 23 H ASP 23 9.934 -9.853 -12.473 169 HA ASP 23 HA ASP 23 8.245 -11.960 -11.325 170 HB2 ASP 23 1HB ASP 23 10.439 -10.289 -10.082 171 HB3 ASP 23 2HB ASP 23 9.493 -11.500 -9.221 172 H THR 24 H THR 24 7.439 -11.201 -9.002 173 HA THR 24 HA THR 24 6.237 -8.529 -9.249 174 HB THR 24 HB THR 24 4.205 -9.785 -8.044 175 HG1 THR 24 HG1 THR 24 4.885 -11.740 -9.946 176 HG21 THR 24 3HG2 THR 24 4.505 -9.928 -11.038 177 HG22 THR 24 1HG2 THR 24 4.248 -8.410 -10.177 178 HG23 THR 24 2HG2 THR 24 3.031 -9.685 -10.101 179 H VAL 25 H VAL 25 4.949 -8.119 -7.058 180 HA VAL 25 HA VAL 25 6.928 -8.034 -5.018 181 HB VAL 25 HB VAL 25 3.994 -7.337 -5.000 182 HG11 VAL 25 1HG1 VAL 25 5.967 -7.443 -2.783 183 HG12 VAL 25 2HG1 VAL 25 4.848 -6.079 -2.830 184 HG13 VAL 25 3HG1 VAL 25 4.227 -7.729 -2.766 185 HG21 VAL 25 3HG2 VAL 25 4.929 -5.020 -4.801 186 HG22 VAL 25 1HG2 VAL 25 6.527 -5.708 -5.089 187 HG23 VAL 25 2HG2 VAL 25 5.279 -5.827 -6.330 188 H LEU 26 H LEU 26 4.304 -10.190 -5.757 189 HA LEU 26 HA LEU 26 3.920 -11.375 -3.248 190 HB2 LEU 26 1HB LEU 26 3.049 -13.308 -4.518 191 HB3 LEU 26 2HB LEU 26 2.367 -11.764 -5.024 192 HG LEU 26 HG LEU 26 4.334 -11.971 -6.828 193 HD11 LEU 26 1HD1 LEU 26 5.111 -14.027 -7.222 194 HD12 LEU 26 2HD1 LEU 26 3.530 -14.771 -6.984 195 HD13 LEU 26 3HD1 LEU 26 4.551 -14.406 -5.593 196 HD21 LEU 26 3HD2 LEU 26 2.607 -13.005 -8.335 197 HD22 LEU 26 1HD2 LEU 26 2.077 -11.574 -7.450 198 HD23 LEU 26 2HD2 LEU 26 1.577 -13.178 -6.913 199 H ASP 27 H ASP 27 6.287 -11.991 -5.777 200 HA ASP 27 HA ASP 27 7.338 -14.399 -4.821 201 HB2 ASP 27 1HB ASP 27 7.846 -13.371 -7.042 202 HB3 ASP 27 2HB ASP 27 8.870 -12.198 -6.218 203 H LEU 28 H LEU 28 8.970 -11.246 -4.520 204 HA LEU 28 HA LEU 28 10.799 -11.950 -2.592 205 HB2 LEU 28 1HB LEU 28 11.158 -9.669 -2.218 206 HB3 LEU 28 2HB LEU 28 10.610 -9.781 -3.889 207 HG LEU 28 HG LEU 28 8.263 -9.296 -2.654 208 HD11 LEU 28 1HD1 LEU 28 8.401 -8.090 -0.749 209 HD12 LEU 28 2HD1 LEU 28 9.957 -7.381 -1.176 210 HD13 LEU 28 3HD1 LEU 28 9.882 -9.024 -0.540 211 HD21 LEU 28 3HD2 LEU 28 10.213 -7.131 -3.422 212 HD22 LEU 28 1HD2 LEU 28 8.452 -7.060 -3.473 213 HD23 LEU 28 2HD2 LEU 28 9.323 -8.116 -4.585 214 H LYS 29 H LYS 29 7.429 -11.071 -2.190 215 HA LYS 29 HA LYS 29 7.291 -10.559 0.514 216 HB2 LYS 29 1HB LYS 29 5.431 -10.552 -1.276 217 HB3 LYS 29 2HB LYS 29 5.224 -12.250 -0.869 218 HG2 LYS 29 1HG LYS 29 5.253 -10.366 1.399 219 HG3 LYS 29 2HG LYS 29 3.868 -10.264 0.310 220 HD2 LYS 29 1HD LYS 29 4.742 -12.950 1.256 221 HD3 LYS 29 2HD LYS 29 3.871 -11.902 2.379 222 HE2 LYS 29 1HE LYS 29 2.009 -11.744 0.870 223 HE3 LYS 29 2HE LYS 29 2.895 -12.609 -0.385 224 HZ1 LYS 29 3HZ LYS 29 3.008 -14.463 1.390 225 HZ2 LYS 29 1HZ LYS 29 1.577 -14.246 0.513 226 HZ3 LYS 29 2HZ LYS 29 1.699 -13.653 2.092 227 H GLN 30 H GLN 30 6.720 -13.748 -0.988 228 HA GLN 30 HA GLN 30 6.636 -15.208 1.384 229 HB2 GLN 30 1HB GLN 30 7.104 -15.860 -1.478 230 HB3 GLN 30 2HB GLN 30 7.543 -17.082 -0.293 231 HG2 GLN 30 1HG GLN 30 4.878 -15.860 0.020 232 HG3 GLN 30 2HG GLN 30 5.113 -16.888 -1.393 233 HE21 GLN 30 2HE2 GLN 30 6.450 -17.116 1.874 234 HE22 GLN 30 1HE2 GLN 30 5.805 -18.681 2.218 235 H PHE 31 H PHE 31 9.347 -14.083 -0.506 236 HA PHE 31 HA PHE 31 11.322 -15.739 0.683 237 HB2 PHE 31 1HB PHE 31 11.268 -13.962 -1.420 238 HB3 PHE 31 2HB PHE 31 12.251 -13.115 -0.230 239 HD1 PHE 31 HD2 PHE 31 11.935 -16.310 -2.078 240 HD2 PHE 31 HD1 PHE 31 14.484 -13.701 0.116 241 HE1 PHE 31 HE2 PHE 31 13.879 -17.674 -2.720 242 HE2 PHE 31 HE1 PHE 31 16.432 -15.061 -0.523 243 HZ PHE 31 HZ PHE 31 16.131 -17.051 -1.942 244 H LEU 32 H LEU 32 9.933 -12.628 1.510 245 HA LEU 32 HA LEU 32 11.853 -11.944 3.496 246 HB2 LEU 32 1HB LEU 32 9.034 -11.006 3.007 247 HB3 LEU 32 2HB LEU 32 10.088 -10.328 4.246 248 HG LEU 32 HG LEU 32 10.468 -10.197 1.257 249 HD11 LEU 32 1HD1 LEU 32 8.842 -8.657 2.600 250 HD12 LEU 32 2HD1 LEU 32 9.929 -7.968 1.394 251 HD13 LEU 32 3HD1 LEU 32 10.333 -7.862 3.107 252 HD21 LEU 32 3HD2 LEU 32 12.321 -9.575 3.524 253 HD22 LEU 32 1HD2 LEU 32 12.411 -8.665 2.015 254 HD23 LEU 32 2HD2 LEU 32 12.650 -10.413 2.006 255 H LYS 33 H LYS 33 8.862 -13.763 3.494 256 HA LYS 33 HA LYS 33 8.569 -13.869 6.330 257 HB2 LYS 33 1HB LYS 33 7.441 -15.780 4.280 258 HB3 LYS 33 2HB LYS 33 6.852 -15.516 5.916 259 HG2 LYS 33 1HG LYS 33 6.001 -13.393 5.383 260 HG3 LYS 33 2HG LYS 33 6.906 -13.322 3.869 261 HD2 LYS 33 1HD LYS 33 4.894 -13.914 3.005 262 HD3 LYS 33 2HD LYS 33 5.470 -15.533 3.407 263 HE2 LYS 33 1HE LYS 33 3.232 -15.328 4.215 264 HE3 LYS 33 2HE LYS 33 4.313 -15.316 5.607 265 HZ1 LYS 33 3HZ LYS 33 3.721 -12.703 4.535 266 HZ2 LYS 33 1HZ LYS 33 3.727 -13.240 6.140 267 HZ3 LYS 33 2HZ LYS 33 2.374 -13.512 5.162 268 H THR 34 H THR 34 10.208 -15.826 3.934 269 HA THR 34 HA THR 34 10.836 -17.908 5.861 270 HB THR 34 HB THR 34 11.930 -19.065 4.045 271 HG1 THR 34 HG1 THR 34 11.545 -16.630 2.616 272 HG21 THR 34 3HG2 THR 34 9.294 -17.809 3.308 273 HG22 THR 34 1HG2 THR 34 9.583 -19.394 4.024 274 HG23 THR 34 2HG2 THR 34 10.044 -19.086 2.350 275 H LEU 35 H LEU 35 12.309 -15.099 4.442 276 HA LEU 35 HA LEU 35 14.980 -15.805 5.301 277 HB2 LEU 35 1HB LEU 35 14.690 -14.539 3.257 278 HB3 LEU 35 2HB LEU 35 13.850 -13.264 4.137 279 HG LEU 35 HG LEU 35 16.140 -13.151 5.454 280 HD11 LEU 35 1HD1 LEU 35 17.435 -14.815 4.536 281 HD12 LEU 35 2HD1 LEU 35 17.932 -13.420 3.579 282 HD13 LEU 35 3HD1 LEU 35 16.782 -14.580 2.914 283 HD21 LEU 35 3HD2 LEU 35 15.701 -11.983 2.708 284 HD22 LEU 35 1HD2 LEU 35 16.855 -11.392 3.904 285 HD23 LEU 35 2HD2 LEU 35 15.124 -11.310 4.233 286 H THR 36 H THR 36 12.506 -13.424 6.205 287 HA THR 36 HA THR 36 13.982 -12.951 8.711 288 HB THR 36 HB THR 36 13.289 -10.768 8.759 289 HG1 THR 36 HG1 THR 36 11.083 -11.434 7.076 290 HG21 THR 36 3HG2 THR 36 13.093 -11.342 5.800 291 HG22 THR 36 1HG2 THR 36 14.595 -11.107 6.693 292 HG23 THR 36 2HG2 THR 36 13.442 -9.781 6.543 293 H GLY 37 H GLY 37 10.773 -13.517 7.328 294 HA2 GLY 37 1HA GLY 37 8.799 -14.201 8.290 295 HA3 GLY 37 2HA GLY 37 9.838 -15.189 9.305 296 H VAL 38 H VAL 38 10.042 -11.714 9.365 297 HA VAL 38 HA VAL 38 8.787 -11.738 12.033 298 HB VAL 38 HB VAL 38 11.144 -11.288 12.254 299 HG11 VAL 38 1HG1 VAL 38 11.560 -8.814 11.030 300 HG12 VAL 38 2HG1 VAL 38 12.238 -10.371 10.548 301 HG13 VAL 38 3HG1 VAL 38 10.736 -9.799 9.821 302 HG21 VAL 38 3HG2 VAL 38 9.673 -8.669 12.501 303 HG22 VAL 38 1HG2 VAL 38 9.514 -10.006 13.641 304 HG23 VAL 38 2HG2 VAL 38 11.071 -9.205 13.433 305 H LEU 39 H LEU 39 8.858 -10.309 8.899 306 HA LEU 39 HA LEU 39 7.707 -7.823 9.346 307 HB2 LEU 39 1HB LEU 39 7.085 -9.634 7.023 308 HB3 LEU 39 2HB LEU 39 6.991 -7.875 7.060 309 HG LEU 39 HG LEU 39 9.442 -9.613 6.984 310 HD11 LEU 39 1HD1 LEU 39 8.663 -7.270 5.268 311 HD12 LEU 39 2HD1 LEU 39 8.238 -8.937 4.881 312 HD13 LEU 39 3HD1 LEU 39 9.933 -8.459 4.976 313 HD21 LEU 39 3HD2 LEU 39 9.103 -6.906 8.103 314 HD22 LEU 39 1HD2 LEU 39 10.451 -7.119 6.986 315 HD23 LEU 39 2HD2 LEU 39 10.334 -8.127 8.429 316 HA PRO 40 HA PRO 40 3.391 -10.016 8.980 317 HB2 PRO 40 1HB PRO 40 3.370 -12.688 9.455 318 HB3 PRO 40 2HB PRO 40 3.578 -12.001 7.840 319 HG2 PRO 40 1HG PRO 40 5.646 -13.046 9.735 320 HG3 PRO 40 2HG PRO 40 5.508 -13.290 7.984 321 HD2 PRO 40 1HD PRO 40 7.213 -11.492 9.073 322 HD3 PRO 40 2HD PRO 40 6.437 -11.238 7.497 323 H GLU 41 H GLU 41 5.807 -10.429 11.312 324 HA GLU 41 HA GLU 41 3.908 -11.112 13.433 325 HB2 GLU 41 1HB GLU 41 6.897 -10.762 13.675 326 HB3 GLU 41 2HB GLU 41 5.814 -11.522 14.833 327 HG2 GLU 41 1HG GLU 41 6.339 -12.572 12.064 328 HG3 GLU 41 2HG GLU 41 7.180 -13.115 13.514 329 H ARG 42 H ARG 42 6.350 -8.649 12.649 330 HA ARG 42 HA ARG 42 4.780 -6.516 13.628 331 HB2 ARG 42 1HB ARG 42 5.995 -5.904 15.618 332 HB3 ARG 42 2HB ARG 42 5.409 -7.552 15.799 333 HG2 ARG 42 1HG ARG 42 7.565 -8.457 15.438 334 HG3 ARG 42 2HG ARG 42 8.199 -6.902 14.895 335 HD2 ARG 42 1HD ARG 42 8.987 -7.071 17.077 336 HD3 ARG 42 2HD ARG 42 7.551 -6.061 17.239 337 HE ARG 42 HE ARG 42 6.734 -8.680 17.622 338 HH11 ARG 42 1HH1 ARG 42 8.883 -6.401 19.141 339 HH12 ARG 42 2HH1 ARG 42 8.682 -7.070 20.727 340 HH21 ARG 42 1HH2 ARG 42 6.461 -9.570 19.704 341 HH22 ARG 42 2HH2 ARG 42 7.305 -8.873 21.046 342 H GLN 43 H GLN 43 5.645 -4.520 13.099 343 HA GLN 43 HA GLN 43 8.392 -4.370 12.154 344 HB2 GLN 43 1HB GLN 43 6.128 -3.533 10.345 345 HB3 GLN 43 2HB GLN 43 7.845 -3.575 9.965 346 HG2 GLN 43 1HG GLN 43 7.845 -5.988 10.067 347 HG3 GLN 43 2HG GLN 43 6.152 -5.991 10.556 348 HE21 GLN 43 2HE2 GLN 43 8.140 -4.536 7.996 349 HE22 GLN 43 1HE2 GLN 43 7.067 -4.934 6.703 350 H LYS 44 H LYS 44 9.285 -2.398 12.446 351 HA LYS 44 HA LYS 44 7.488 -0.215 13.278 352 HB2 LYS 44 1HB LYS 44 9.958 -1.294 14.517 353 HB3 LYS 44 2HB LYS 44 9.779 0.456 14.521 354 HG2 LYS 44 1HG LYS 44 7.438 -0.004 15.492 355 HG3 LYS 44 2HG LYS 44 8.071 -1.615 15.841 356 HD2 LYS 44 1HD LYS 44 8.643 -0.586 17.789 357 HD3 LYS 44 2HD LYS 44 10.076 -0.179 16.842 358 HE2 LYS 44 1HE LYS 44 9.533 1.883 17.677 359 HE3 LYS 44 2HE LYS 44 8.635 1.909 16.161 360 HZ1 LYS 44 3HZ LYS 44 7.575 1.385 18.878 361 HZ2 LYS 44 1HZ LYS 44 6.686 1.088 17.470 362 HZ3 LYS 44 2HZ LYS 44 7.180 2.662 17.842 363 H LEU 45 H LEU 45 9.118 -1.107 10.740 364 HA LEU 45 HA LEU 45 11.046 0.805 10.160 365 HB2 LEU 45 1HB LEU 45 10.269 0.411 7.737 366 HB3 LEU 45 2HB LEU 45 10.938 -0.939 8.651 367 HG LEU 45 HG LEU 45 8.662 -1.768 9.066 368 HD11 LEU 45 1HD1 LEU 45 7.831 0.530 7.302 369 HD12 LEU 45 2HD1 LEU 45 7.448 0.323 9.011 370 HD13 LEU 45 3HD1 LEU 45 6.783 -0.792 7.817 371 HD21 LEU 45 3HD2 LEU 45 9.090 -1.278 6.126 372 HD22 LEU 45 1HD2 LEU 45 8.279 -2.645 6.892 373 HD23 LEU 45 2HD2 LEU 45 10.023 -2.444 7.066 374 H LEU 46 H LEU 46 10.603 2.368 8.147 375 HA LEU 46 HA LEU 46 9.289 4.596 9.115 376 HB2 LEU 46 1HB LEU 46 10.161 3.734 6.398 377 HB3 LEU 46 2HB LEU 46 9.171 5.183 6.556 378 HG LEU 46 HG LEU 46 11.642 5.579 6.421 379 HD11 LEU 46 1HD1 LEU 46 11.558 6.994 8.668 380 HD12 LEU 46 2HD1 LEU 46 9.850 6.569 8.562 381 HD13 LEU 46 3HD1 LEU 46 10.625 7.437 7.237 382 HD21 LEU 46 3HD2 LEU 46 12.368 3.659 7.745 383 HD22 LEU 46 1HD2 LEU 46 11.608 4.354 9.177 384 HD23 LEU 46 2HD2 LEU 46 12.978 5.170 8.422 385 H GLY 47 H GLY 47 8.099 3.167 6.107 386 HA2 GLY 47 1HA GLY 47 5.440 2.804 7.234 387 HA3 GLY 47 2HA GLY 47 5.591 4.067 6.021 388 H LEU 48 H LEU 48 7.708 1.432 5.593 389 HA LEU 48 HA LEU 48 6.272 0.637 3.204 390 HB2 LEU 48 1HB LEU 48 8.687 0.953 3.120 391 HB3 LEU 48 2HB LEU 48 8.903 -0.296 4.345 392 HG LEU 48 HG LEU 48 9.366 -0.878 1.879 393 HD11 LEU 48 1HD1 LEU 48 8.306 -2.366 4.072 394 HD12 LEU 48 2HD1 LEU 48 9.415 -2.890 2.804 395 HD13 LEU 48 3HD1 LEU 48 7.673 -3.024 2.563 396 HD21 LEU 48 3HD2 LEU 48 6.510 -1.593 1.657 397 HD22 LEU 48 1HD2 LEU 48 7.666 -1.123 0.411 398 HD23 LEU 48 2HD2 LEU 48 6.913 0.109 1.423 399 H LYS 49 H LYS 49 5.125 -1.182 2.935 400 HA LYS 49 HA LYS 49 4.044 -3.131 3.392 401 HB2 LYS 49 1HB LYS 49 6.708 -3.490 4.620 402 HB3 LYS 49 2HB LYS 49 5.451 -4.571 5.208 403 HG2 LYS 49 1HG LYS 49 5.915 -4.213 2.273 404 HG3 LYS 49 2HG LYS 49 6.908 -5.319 3.226 405 HD2 LYS 49 1HD LYS 49 4.460 -6.070 4.049 406 HD3 LYS 49 2HD LYS 49 4.074 -5.523 2.416 407 HE2 LYS 49 1HE LYS 49 4.646 -7.637 1.872 408 HE3 LYS 49 2HE LYS 49 6.280 -6.977 1.911 409 HZ1 LYS 49 3HZ LYS 49 6.303 -8.948 3.183 410 HZ2 LYS 49 1HZ LYS 49 4.902 -8.522 4.031 411 HZ3 LYS 49 2HZ LYS 49 6.343 -7.678 4.301 412 H VAL 50 H VAL 50 2.530 -1.598 4.481 413 HA VAL 50 HA VAL 50 2.560 -1.474 7.353 414 HB VAL 50 HB VAL 50 0.394 -0.351 7.145 415 HG11 VAL 50 1HG1 VAL 50 1.795 1.003 4.967 416 HG12 VAL 50 2HG1 VAL 50 1.380 1.580 6.582 417 HG13 VAL 50 3HG1 VAL 50 2.828 0.602 6.339 418 HG21 VAL 50 3HG2 VAL 50 -0.483 -1.689 5.275 419 HG22 VAL 50 1HG2 VAL 50 -0.623 0.043 4.976 420 HG23 VAL 50 2HG2 VAL 50 0.649 -0.888 4.186 421 H LYS 51 H LYS 51 1.223 -2.530 8.793 422 HA LYS 51 HA LYS 51 0.307 -5.131 7.962 423 HB2 LYS 51 1HB LYS 51 -0.136 -5.520 10.313 424 HB3 LYS 51 2HB LYS 51 1.446 -4.774 10.128 425 HG2 LYS 51 1HG LYS 51 -0.815 -2.934 10.576 426 HG3 LYS 51 2HG LYS 51 -0.370 -3.978 11.928 427 HD2 LYS 51 1HD LYS 51 2.070 -3.150 11.206 428 HD3 LYS 51 2HD LYS 51 1.129 -1.760 10.658 429 HE2 LYS 51 1HE LYS 51 0.085 -1.706 12.947 430 HE3 LYS 51 2HE LYS 51 1.272 -2.913 13.438 431 HZ1 LYS 51 3HZ LYS 51 2.237 -0.909 14.039 432 HZ2 LYS 51 1HZ LYS 51 1.718 -0.107 12.643 433 HZ3 LYS 51 2HZ LYS 51 2.972 -1.238 12.551 434 H GLY 52 H GLY 52 -1.848 -5.954 8.418 435 HA2 GLY 52 1HA GLY 52 -4.153 -5.829 8.477 436 HA3 GLY 52 2HA GLY 52 -4.006 -4.137 8.928 437 H LYS 53 H LYS 53 -2.178 -4.580 6.216 438 HA LYS 53 HA LYS 53 -4.000 -4.748 4.118 439 HB2 LYS 53 1HB LYS 53 -4.029 -2.266 3.499 440 HB3 LYS 53 2HB LYS 53 -5.102 -2.784 4.793 441 HG2 LYS 53 1HG LYS 53 -3.411 -2.008 6.434 442 HG3 LYS 53 2HG LYS 53 -2.459 -1.374 5.090 443 HD2 LYS 53 1HD LYS 53 -5.329 -0.584 5.461 444 HD3 LYS 53 2HD LYS 53 -4.039 0.229 6.351 445 HE2 LYS 53 1HE LYS 53 -4.120 1.577 4.517 446 HE3 LYS 53 2HE LYS 53 -2.973 0.375 3.929 447 HZ1 LYS 53 3HZ LYS 53 -4.447 -0.442 2.455 448 HZ2 LYS 53 1HZ LYS 53 -5.140 1.096 2.586 449 HZ3 LYS 53 2HZ LYS 53 -5.784 -0.199 3.462 450 HA PRO 54 HA PRO 54 0.568 -4.551 3.180 451 HB2 PRO 54 1HB PRO 54 0.705 -7.029 2.078 452 HB3 PRO 54 2HB PRO 54 0.907 -6.735 3.809 453 HG2 PRO 54 1HG PRO 54 -1.511 -7.678 2.319 454 HG3 PRO 54 2HG PRO 54 -0.851 -8.256 3.860 455 HD2 PRO 54 1HD PRO 54 -2.961 -6.564 3.722 456 HD3 PRO 54 2HD PRO 54 -1.790 -6.524 5.056 457 H ALA 55 H ALA 55 1.518 -4.300 1.140 458 HA ALA 55 HA ALA 55 -0.005 -3.241 -0.894 459 HB1 ALA 55 1HB ALA 55 1.932 -3.064 -2.112 460 HB2 ALA 55 2HB ALA 55 2.582 -3.277 -0.486 461 HB3 ALA 55 3HB ALA 55 2.528 -4.643 -1.600 462 H GLU 56 H GLU 56 -0.465 -4.014 -3.054 463 HA GLU 56 HA GLU 56 -1.623 -6.643 -3.009 464 HB2 GLU 56 1HB GLU 56 -2.591 -4.563 -4.140 465 HB3 GLU 56 2HB GLU 56 -1.410 -4.840 -5.413 466 HG2 GLU 56 1HG GLU 56 -2.429 -6.785 -6.121 467 HG3 GLU 56 2HG GLU 56 -3.249 -7.038 -4.581 468 H ASN 57 H ASN 57 -1.160 -8.355 -4.456 469 HA ASN 57 HA ASN 57 1.607 -8.830 -4.843 470 HB2 ASN 57 1HB ASN 57 0.842 -10.906 -5.999 471 HB3 ASN 57 2HB ASN 57 0.120 -10.685 -4.408 472 HD21 ASN 57 2HD2 ASN 57 -0.428 -10.909 -7.785 473 HD22 ASN 57 1HD2 ASN 57 -2.153 -10.828 -7.735 474 H ASP 58 H ASP 58 -0.996 -7.793 -6.961 475 HA ASP 58 HA ASP 58 0.182 -8.154 -9.443 476 HB2 ASP 58 1HB ASP 58 -2.151 -7.435 -9.133 477 HB3 ASP 58 2HB ASP 58 -1.591 -5.865 -8.564 478 H VAL 59 H VAL 59 0.911 -5.846 -6.965 479 HA VAL 59 HA VAL 59 2.115 -3.787 -8.340 480 HB VAL 59 HB VAL 59 3.037 -5.024 -5.742 481 HG11 VAL 59 1HG1 VAL 59 3.637 -2.318 -6.935 482 HG12 VAL 59 2HG1 VAL 59 4.072 -2.836 -5.305 483 HG13 VAL 59 3HG1 VAL 59 4.783 -3.639 -6.706 484 HG21 VAL 59 3HG2 VAL 59 1.462 -2.504 -5.914 485 HG22 VAL 59 1HG2 VAL 59 0.620 -4.041 -6.116 486 HG23 VAL 59 2HG2 VAL 59 1.519 -3.716 -4.633 487 H LYS 60 H LYS 60 4.130 -3.385 -9.189 488 HA LYS 60 HA LYS 60 6.289 -5.246 -9.020 489 HB2 LYS 60 1HB LYS 60 6.312 -5.618 -11.566 490 HB3 LYS 60 2HB LYS 60 5.198 -6.580 -10.603 491 HG2 LYS 60 1HG LYS 60 3.383 -5.659 -11.549 492 HG3 LYS 60 2HG LYS 60 4.103 -4.049 -11.613 493 HD2 LYS 60 1HD LYS 60 4.037 -4.522 -13.846 494 HD3 LYS 60 2HD LYS 60 5.619 -5.200 -13.454 495 HE2 LYS 60 1HE LYS 60 4.355 -6.756 -14.817 496 HE3 LYS 60 2HE LYS 60 4.589 -7.415 -13.198 497 HZ1 LYS 60 3HZ LYS 60 2.184 -6.991 -14.561 498 HZ2 LYS 60 1HZ LYS 60 2.199 -5.960 -13.219 499 HZ3 LYS 60 2HZ LYS 60 2.409 -7.625 -13.009 500 H LEU 61 H LEU 61 7.944 -4.613 -10.918 501 HA LEU 61 HA LEU 61 8.786 -2.010 -10.380 502 HB2 LEU 61 1HB LEU 61 10.217 -3.854 -11.215 503 HB3 LEU 61 2HB LEU 61 9.465 -3.676 -12.799 504 HG LEU 61 HG LEU 61 10.775 -1.288 -11.608 505 HD11 LEU 61 1HD1 LEU 61 12.276 -3.618 -12.792 506 HD12 LEU 61 2HD1 LEU 61 12.420 -2.989 -11.151 507 HD13 LEU 61 3HD1 LEU 61 12.952 -2.012 -12.519 508 HD21 LEU 61 3HD2 LEU 61 10.503 -2.439 -14.380 509 HD22 LEU 61 1HD2 LEU 61 11.400 -0.970 -13.996 510 HD23 LEU 61 2HD2 LEU 61 9.660 -1.039 -13.715 511 H GLY 62 H GLY 62 6.887 -3.297 -13.066 512 HA2 GLY 62 1HA GLY 62 6.838 -0.816 -14.507 513 HA3 GLY 62 2HA GLY 62 5.858 -2.236 -14.841 514 H ALA 63 H ALA 63 5.367 -1.715 -11.680 515 HA ALA 63 HA ALA 63 2.995 -0.049 -12.202 516 HB1 ALA 63 1HB ALA 63 2.873 -2.511 -11.316 517 HB2 ALA 63 2HB ALA 63 3.232 -1.751 -9.766 518 HB3 ALA 63 3HB ALA 63 1.797 -1.271 -10.672 519 H LEU 64 H LEU 64 5.956 -0.218 -10.498 520 HA LEU 64 HA LEU 64 5.148 1.982 -8.722 521 HB2 LEU 64 1HB LEU 64 7.641 0.307 -8.529 522 HB3 LEU 64 2HB LEU 64 6.996 1.417 -7.321 523 HG LEU 64 HG LEU 64 5.365 -0.947 -8.133 524 HD11 LEU 64 1HD1 LEU 64 7.224 -1.306 -5.865 525 HD12 LEU 64 2HD1 LEU 64 7.912 -1.435 -7.484 526 HD13 LEU 64 3HD1 LEU 64 6.579 -2.486 -7.007 527 HD21 LEU 64 3HD2 LEU 64 4.891 -0.777 -5.613 528 HD22 LEU 64 1HD2 LEU 64 4.231 0.469 -6.672 529 HD23 LEU 64 2HD2 LEU 64 5.675 0.800 -5.716 530 H LYS 65 H LYS 65 7.822 0.919 -10.814 531 HA LYS 65 HA LYS 65 9.426 2.074 -11.944 532 HB2 LYS 65 1HB LYS 65 7.495 4.381 -12.044 533 HB3 LYS 65 2HB LYS 65 8.688 3.901 -13.244 534 HG2 LYS 65 1HG LYS 65 7.144 1.690 -13.184 535 HG3 LYS 65 2HG LYS 65 5.949 2.932 -12.802 536 HD2 LYS 65 1HD LYS 65 7.847 3.295 -15.092 537 HD3 LYS 65 2HD LYS 65 6.388 2.320 -15.282 538 HE2 LYS 65 1HE LYS 65 5.002 4.193 -14.669 539 HE3 LYS 65 2HE LYS 65 6.421 5.169 -14.291 540 HZ1 LYS 65 3HZ LYS 65 7.040 5.196 -16.577 541 HZ2 LYS 65 1HZ LYS 65 5.411 5.646 -16.488 542 HZ3 LYS 65 2HZ LYS 65 5.832 4.087 -16.991 543 H LEU 66 H LEU 66 9.318 2.354 -9.024 544 HA LEU 66 HA LEU 66 10.242 5.075 -8.552 545 HB2 LEU 66 1HB LEU 66 9.264 2.852 -6.920 546 HB3 LEU 66 2HB LEU 66 10.620 3.721 -6.205 547 HG LEU 66 HG LEU 66 8.404 5.391 -7.214 548 HD11 LEU 66 1HD1 LEU 66 7.969 4.147 -4.554 549 HD12 LEU 66 2HD1 LEU 66 7.504 3.230 -5.986 550 HD13 LEU 66 3HD1 LEU 66 6.806 4.823 -5.694 551 HD21 LEU 66 3HD2 LEU 66 9.623 5.503 -4.494 552 HD22 LEU 66 1HD2 LEU 66 9.051 6.812 -5.528 553 HD23 LEU 66 2HD2 LEU 66 10.576 6.003 -5.892 554 H LYS 67 H LYS 67 12.184 5.020 -6.820 555 HA LYS 67 HA LYS 67 14.303 3.317 -7.953 556 HB2 LYS 67 1HB LYS 67 15.845 5.128 -7.951 557 HB3 LYS 67 2HB LYS 67 14.387 5.715 -8.740 558 HG2 LYS 67 1HG LYS 67 13.722 6.865 -6.708 559 HG3 LYS 67 2HG LYS 67 15.143 6.235 -5.871 560 HD2 LYS 67 1HD LYS 67 15.667 8.456 -6.521 561 HD3 LYS 67 2HD LYS 67 16.544 7.391 -7.622 562 HE2 LYS 67 1HE LYS 67 15.615 9.066 -8.986 563 HE3 LYS 67 2HE LYS 67 14.575 7.660 -9.205 564 HZ1 LYS 67 3HZ LYS 67 13.033 8.626 -7.587 565 HZ2 LYS 67 1HZ LYS 67 13.252 9.636 -8.926 566 HZ3 LYS 67 2HZ LYS 67 14.016 9.997 -7.461 567 HA PRO 68 HA PRO 68 15.355 2.199 -3.841 568 HB2 PRO 68 1HB PRO 68 18.044 1.883 -4.044 569 HB3 PRO 68 2HB PRO 68 16.887 0.748 -4.750 570 HG2 PRO 68 1HG PRO 68 18.406 2.968 -6.064 571 HG3 PRO 68 2HG PRO 68 18.103 1.322 -6.648 572 HD2 PRO 68 1HD PRO 68 16.680 3.458 -7.509 573 HD3 PRO 68 2HD PRO 68 15.975 1.835 -7.370 574 H ASN 69 H ASN 69 16.570 5.069 -5.254 575 HA ASN 69 HA ASN 69 18.292 6.074 -3.334 576 HB2 ASN 69 1HB ASN 69 17.521 7.064 -5.620 577 HB3 ASN 69 2HB ASN 69 16.275 7.858 -4.662 578 HD21 ASN 69 2HD2 ASN 69 19.770 7.252 -4.491 579 HD22 ASN 69 1HD2 ASN 69 20.194 8.856 -4.008 580 H THR 70 H THR 70 14.871 5.614 -3.189 581 HA THR 70 HA THR 70 14.030 7.448 -1.323 582 HB THR 70 HB THR 70 12.622 5.324 -0.472 583 HG1 THR 70 HG1 THR 70 14.110 4.089 -2.041 584 HG21 THR 70 3HG2 THR 70 10.997 5.833 -2.242 585 HG22 THR 70 1HG2 THR 70 12.243 6.708 -3.131 586 HG23 THR 70 2HG2 THR 70 11.695 7.303 -1.564 587 H LYS 71 H LYS 71 15.673 4.362 -0.744 588 HA LYS 71 HA LYS 71 16.780 3.537 1.064 589 HB2 LYS 71 1HB LYS 71 17.027 6.478 1.371 590 HB3 LYS 71 2HB LYS 71 17.400 5.504 2.787 591 HG2 LYS 71 1HG LYS 71 19.243 4.553 1.823 592 HG3 LYS 71 2HG LYS 71 18.626 4.758 0.182 593 HD2 LYS 71 1HD LYS 71 19.254 6.992 0.090 594 HD3 LYS 71 2HD LYS 71 19.319 7.148 1.848 595 HE2 LYS 71 1HE LYS 71 21.563 7.144 1.077 596 HE3 LYS 71 2HE LYS 71 21.274 5.566 1.807 597 HZ1 LYS 71 3HZ LYS 71 20.677 4.928 -0.632 598 HZ2 LYS 71 1HZ LYS 71 22.294 4.980 -0.136 599 HZ3 LYS 71 2HZ LYS 71 21.639 6.265 -1.019 600 H ILE 72 H ILE 72 15.483 2.272 2.240 601 HA ILE 72 HA ILE 72 13.530 3.536 4.038 602 HB ILE 72 HB ILE 72 12.598 1.909 2.448 603 HG12 ILE 72 1HG1 ILE 72 11.934 2.191 5.017 604 HG13 ILE 72 2HG1 ILE 72 11.122 1.036 3.965 605 HG21 ILE 72 1HG2 ILE 72 13.137 -0.527 2.860 606 HG22 ILE 72 2HG2 ILE 72 14.393 0.421 2.067 607 HG23 ILE 72 3HG2 ILE 72 14.533 0.032 3.781 608 HD11 ILE 72 3HD1 ILE 72 11.932 0.304 6.311 609 HD12 ILE 72 1HD1 ILE 72 12.161 -0.773 4.933 610 HD13 ILE 72 2HD1 ILE 72 13.511 0.190 5.534 611 H MET 73 H MET 73 13.453 3.019 6.213 612 HA MET 73 HA MET 73 15.811 1.587 7.248 613 HB2 MET 73 1HB MET 73 14.627 4.161 7.936 614 HB3 MET 73 2HB MET 73 14.835 3.123 9.340 615 HG2 MET 73 1HG MET 73 17.233 2.786 8.283 616 HG3 MET 73 2HG MET 73 16.867 4.354 7.569 617 HE1 MET 73 3HE MET 73 15.607 6.099 9.008 618 HE2 MET 73 1HE MET 73 14.995 5.433 10.522 619 HE3 MET 73 2HE MET 73 16.279 6.642 10.546 620 H MET 74 H MET 74 15.448 -0.210 8.371 621 HA MET 74 HA MET 74 12.705 -0.739 9.293 622 HB2 MET 74 1HB MET 74 14.128 -2.253 7.605 623 HB3 MET 74 2HB MET 74 14.699 -2.936 9.121 624 HG2 MET 74 1HG MET 74 12.421 -3.452 9.774 625 HG3 MET 74 2HG MET 74 11.815 -2.712 8.295 626 HE1 MET 74 3HE MET 74 10.784 -4.644 6.645 627 HE2 MET 74 1HE MET 74 12.014 -3.526 6.055 628 HE3 MET 74 2HE MET 74 12.108 -5.237 5.640 629 H MET 75 H MET 75 12.297 -1.155 11.396 630 HA MET 75 HA MET 75 14.552 -1.598 13.214 631 HB2 MET 75 1HB MET 75 13.222 0.000 14.815 632 HB3 MET 75 2HB MET 75 14.341 0.659 13.630 633 HG2 MET 75 1HG MET 75 12.479 1.119 12.122 634 HG3 MET 75 2HG MET 75 11.357 0.452 13.306 635 HE1 MET 75 3HE MET 75 11.439 1.060 15.633 636 HE2 MET 75 1HE MET 75 12.238 2.466 16.339 637 HE3 MET 75 2HE MET 75 10.583 2.599 15.742 638 H GLY 76 H GLY 76 13.951 -2.536 15.259 639 HA2 GLY 76 1HA GLY 76 12.848 -4.135 16.485 640 HA3 GLY 76 2HA GLY 76 11.399 -3.225 16.083 641 H THR 77 H THR 77 13.416 -4.769 13.676 642 HA THR 77 HA THR 77 11.310 -6.791 13.271 643 HB THR 77 HB THR 77 11.618 -6.642 10.868 644 HG1 THR 77 HG1 THR 77 13.739 -6.017 10.655 645 HG21 THR 77 3HG2 THR 77 10.308 -4.808 12.390 646 HG22 THR 77 1HG2 THR 77 10.232 -4.879 10.630 647 HG23 THR 77 2HG2 THR 77 11.351 -3.767 11.421 648 H ARG 78 H ARG 78 12.996 -7.854 14.777 649 HA ARG 78 HA ARG 78 14.896 -9.313 13.070 650 HB2 ARG 78 1HB ARG 78 15.420 -8.434 15.916 651 HB3 ARG 78 2HB ARG 78 16.515 -9.356 14.895 652 HG2 ARG 78 1HG ARG 78 17.147 -7.541 13.688 653 HG3 ARG 78 2HG ARG 78 15.586 -6.738 13.871 654 HD2 ARG 78 1HD ARG 78 16.122 -5.879 15.945 655 HD3 ARG 78 2HD ARG 78 17.333 -7.121 16.260 656 HE ARG 78 HE ARG 78 17.996 -5.347 14.090 657 HH11 ARG 78 1HH1 ARG 78 18.170 -5.888 17.525 658 HH12 ARG 78 2HH1 ARG 78 19.548 -4.861 17.748 659 HH21 ARG 78 1HH2 ARG 78 19.810 -3.993 14.371 660 HH22 ARG 78 2HH2 ARG 78 20.479 -3.784 15.954 661 H GLU 79 H GLU 79 12.675 -10.545 13.196 662 HA GLU 79 HA GLU 79 11.497 -12.363 13.905 663 HB2 GLU 79 1HB GLU 79 14.206 -13.152 14.992 664 HB3 GLU 79 2HB GLU 79 12.844 -14.240 14.767 665 HG2 GLU 79 1HG GLU 79 13.028 -14.216 12.470 666 HG3 GLU 79 2HG GLU 79 13.891 -12.679 12.452 667 H GLU 80 H GLU 80 11.615 -10.057 15.692 668 HA GLU 80 HA GLU 80 11.965 -10.682 18.368 669 HB2 GLU 80 1HB GLU 80 10.171 -8.756 16.932 670 HB3 GLU 80 2HB GLU 80 10.035 -8.946 18.675 671 HG2 GLU 80 1HG GLU 80 12.564 -8.520 18.717 672 HG3 GLU 80 2HG GLU 80 12.345 -7.921 17.073 673 H SER 81 H SER 81 8.956 -10.895 16.470 674 HA SER 81 HA SER 81 7.005 -12.017 16.834 675 HB2 SER 81 1HB SER 81 8.902 -14.023 18.078 676 HB3 SER 81 2HB SER 81 7.245 -14.359 17.577 677 HG SER 81 HG SER 81 8.713 -14.974 15.962 Start of MODEL 10 1 H1 MET 1 H MET 1 1.521 0.386 0.648 2 HA MET 1 HA MET 1 1.300 -0.909 -1.849 3 HB2 MET 1 1HB MET 1 1.888 2.053 -1.934 4 HB3 MET 1 2HB MET 1 2.191 0.951 -3.270 5 HG2 MET 1 1HG MET 1 -0.088 0.565 -3.620 6 HG3 MET 1 2HG MET 1 -0.529 1.228 -2.048 7 HE1 MET 1 3HE MET 1 -0.944 4.098 -1.734 8 HE2 MET 1 1HE MET 1 -1.995 4.329 -3.132 9 HE3 MET 1 2HE MET 1 -2.040 2.811 -2.237 10 H ALA 2 H ALA 2 3.309 -1.548 -2.674 11 HA ALA 2 HA ALA 2 5.524 -1.196 -0.790 12 HB1 ALA 2 1HB ALA 2 5.563 -3.417 -1.048 13 HB2 ALA 2 2HB ALA 2 4.623 -3.354 -2.540 14 HB3 ALA 2 3HB ALA 2 6.365 -3.081 -2.583 15 H LEU 3 H LEU 3 7.428 -0.265 -1.332 16 HA LEU 3 HA LEU 3 7.735 0.672 -4.109 17 HB2 LEU 3 1HB LEU 3 8.851 2.173 -1.775 18 HB3 LEU 3 2HB LEU 3 8.508 2.748 -3.406 19 HG LEU 3 HG LEU 3 6.016 2.271 -2.685 20 HD11 LEU 3 1HD1 LEU 3 5.864 1.573 -0.571 21 HD12 LEU 3 2HD1 LEU 3 6.230 3.240 -0.126 22 HD13 LEU 3 3HD1 LEU 3 7.524 2.044 -0.203 23 HD21 LEU 3 3HD2 LEU 3 6.970 4.712 -1.381 24 HD22 LEU 3 1HD2 LEU 3 5.820 4.502 -2.701 25 HD23 LEU 3 2HD2 LEU 3 7.552 4.495 -3.032 26 HA PRO 4 HA PRO 4 11.644 -1.344 -4.110 27 HB2 PRO 4 1HB PRO 4 12.909 0.123 -6.012 28 HB3 PRO 4 2HB PRO 4 11.636 -1.044 -6.387 29 HG2 PRO 4 1HG PRO 4 11.458 1.933 -6.127 30 HG3 PRO 4 2HG PRO 4 10.724 0.870 -7.342 31 HD2 PRO 4 1HD PRO 4 9.336 1.850 -5.234 32 HD3 PRO 4 2HD PRO 4 8.994 0.260 -5.946 33 H MET 5 H MET 5 12.221 -0.650 -1.945 34 HA MET 5 HA MET 5 14.296 1.436 -1.984 35 HB2 MET 5 1HB MET 5 12.722 0.983 0.511 36 HB3 MET 5 2HB MET 5 13.543 2.435 -0.046 37 HG2 MET 5 1HG MET 5 11.779 2.665 -1.797 38 HG3 MET 5 2HG MET 5 10.924 1.333 -1.022 39 HE1 MET 5 3HE MET 5 8.855 4.188 -0.683 40 HE2 MET 5 1HE MET 5 10.147 5.389 -0.647 41 HE3 MET 5 2HE MET 5 10.174 4.102 -1.852 42 H ILE 6 H ILE 6 15.731 1.238 0.031 43 HA ILE 6 HA ILE 6 16.302 -1.619 0.473 44 HB ILE 6 HB ILE 6 18.258 0.677 0.607 45 HG12 ILE 6 1HG1 ILE 6 17.487 0.323 -1.689 46 HG13 ILE 6 2HG1 ILE 6 19.154 -0.211 -1.507 47 HG21 ILE 6 1HG2 ILE 6 18.456 -2.261 1.062 48 HG22 ILE 6 2HG2 ILE 6 19.837 -1.403 0.381 49 HG23 ILE 6 3HG2 ILE 6 19.194 -0.930 1.953 50 HD11 ILE 6 3HD1 ILE 6 16.789 -2.062 -1.404 51 HD12 ILE 6 1HD1 ILE 6 17.710 -1.714 -2.867 52 HD13 ILE 6 2HD1 ILE 6 18.496 -2.496 -1.496 53 H VAL 7 H VAL 7 16.612 -2.371 2.518 54 HA VAL 7 HA VAL 7 15.958 -0.511 4.692 55 HB VAL 7 HB VAL 7 15.630 -2.657 6.021 56 HG11 VAL 7 1HG1 VAL 7 13.866 -2.125 3.633 57 HG12 VAL 7 2HG1 VAL 7 13.403 -3.065 5.053 58 HG13 VAL 7 3HG1 VAL 7 13.760 -1.345 5.211 59 HG21 VAL 7 3HG2 VAL 7 15.507 -3.950 3.307 60 HG22 VAL 7 1HG2 VAL 7 16.934 -4.031 4.340 61 HG23 VAL 7 2HG2 VAL 7 15.407 -4.721 4.890 62 H LYS 8 H LYS 8 17.382 -0.016 6.244 63 HA LYS 8 HA LYS 8 19.777 -1.674 6.574 64 HB2 LYS 8 1HB LYS 8 20.039 0.477 5.070 65 HB3 LYS 8 2HB LYS 8 20.081 1.301 6.623 66 HG2 LYS 8 1HG LYS 8 22.040 0.193 7.283 67 HG3 LYS 8 2HG LYS 8 21.882 -1.018 6.009 68 HD2 LYS 8 1HD LYS 8 22.436 0.566 4.322 69 HD3 LYS 8 2HD LYS 8 22.305 1.913 5.456 70 HE2 LYS 8 1HE LYS 8 24.302 -0.307 5.811 71 HE3 LYS 8 2HE LYS 8 24.651 1.131 4.851 72 HZ1 LYS 8 3HZ LYS 8 23.612 1.540 7.549 73 HZ2 LYS 8 1HZ LYS 8 24.748 2.442 6.679 74 HZ3 LYS 8 2HZ LYS 8 25.205 0.989 7.413 75 H TRP 9 H TRP 9 18.472 -2.318 8.458 76 HA TRP 9 HA TRP 9 18.400 -0.312 10.597 77 HB2 TRP 9 1HB TRP 9 16.302 -1.458 10.268 78 HB3 TRP 9 2HB TRP 9 17.095 -3.029 10.353 79 HD1 TRP 9 HD1 TRP 9 16.495 -4.159 12.558 80 HE1 TRP 9 HE1 TRP 9 16.210 -3.415 15.006 81 HE3 TRP 9 HE3 TRP 9 17.327 0.852 11.985 82 HZ2 TRP 9 HZ2 TRP 9 16.322 -1.021 16.496 83 HZ3 TRP 9 HZ3 TRP 9 17.219 2.300 13.972 84 HH2 TRP 9 HH2 TRP 9 16.727 1.381 16.179 85 H GLY 10 H GLY 10 19.366 -0.677 12.607 86 HA2 GLY 10 1HA GLY 10 21.885 -1.803 12.647 87 HA3 GLY 10 2HA GLY 10 20.923 -1.498 14.085 88 H GLY 11 H GLY 11 22.414 -3.850 12.225 89 HA2 GLY 11 1HA GLY 11 22.597 -6.041 13.337 90 HA3 GLY 11 2HA GLY 11 20.860 -5.960 13.591 91 H GLN 12 H GLN 12 19.893 -5.219 11.171 92 HA GLN 12 HA GLN 12 20.916 -7.244 9.299 93 HB2 GLN 12 1HB GLN 12 18.031 -6.733 10.035 94 HB3 GLN 12 2HB GLN 12 18.539 -7.723 8.673 95 HG2 GLN 12 1HG GLN 12 18.907 -8.248 11.601 96 HG3 GLN 12 2HG GLN 12 18.056 -9.224 10.405 97 HE21 GLN 12 2HE2 GLN 12 19.885 -9.316 8.374 98 HE22 GLN 12 1HE2 GLN 12 21.290 -10.176 8.894 99 H GLU 13 H GLU 13 21.028 -6.641 7.201 100 HA GLU 13 HA GLU 13 19.771 -4.099 6.425 101 HB2 GLU 13 1HB GLU 13 22.055 -3.530 6.855 102 HB3 GLU 13 2HB GLU 13 22.634 -4.935 5.970 103 HG2 GLU 13 1HG GLU 13 21.874 -3.993 3.887 104 HG3 GLU 13 2HG GLU 13 21.153 -2.625 4.735 105 H TYR 14 H TYR 14 18.176 -5.169 5.264 106 HA TYR 14 HA TYR 14 19.054 -6.889 3.054 107 HB2 TYR 14 1HB TYR 14 16.225 -6.437 4.011 108 HB3 TYR 14 2HB TYR 14 16.803 -7.710 2.943 109 HD1 TYR 14 HD2 TYR 14 18.960 -8.989 4.155 110 HD2 TYR 14 HD1 TYR 14 15.613 -7.210 6.087 111 HE1 TYR 14 HE2 TYR 14 19.302 -10.465 6.093 112 HE2 TYR 14 HE1 TYR 14 15.946 -8.680 8.031 113 HH TYR 14 HH TYR 14 17.019 -10.540 8.770 114 H SER 15 H SER 15 16.959 -6.611 1.317 115 HA SER 15 HA SER 15 16.832 -3.767 0.625 116 HB2 SER 15 1HB SER 15 17.319 -4.456 -1.794 117 HB3 SER 15 2HB SER 15 18.690 -4.427 -0.686 118 HG SER 15 HG SER 15 17.555 -6.533 -2.015 119 H VAL 16 H VAL 16 14.711 -3.400 0.634 120 HA VAL 16 HA VAL 16 12.858 -5.444 -0.312 121 HB VAL 16 HB VAL 16 11.091 -3.887 0.483 122 HG11 VAL 16 1HG1 VAL 16 11.973 -5.629 1.948 123 HG12 VAL 16 2HG1 VAL 16 13.231 -4.528 2.511 124 HG13 VAL 16 3HG1 VAL 16 11.537 -4.189 2.867 125 HG21 VAL 16 3HG2 VAL 16 12.305 -1.789 0.151 126 HG22 VAL 16 1HG2 VAL 16 11.720 -1.936 1.808 127 HG23 VAL 16 2HG2 VAL 16 13.421 -2.227 1.444 128 H THR 17 H THR 17 14.346 -4.585 -2.395 129 HA THR 17 HA THR 17 13.274 -2.356 -3.785 130 HB THR 17 HB THR 17 15.516 -3.309 -4.261 131 HG1 THR 17 HG1 THR 17 15.200 -2.302 -6.086 132 HG21 THR 17 3HG2 THR 17 13.890 -5.565 -5.428 133 HG22 THR 17 1HG2 THR 17 15.097 -5.661 -4.147 134 HG23 THR 17 2HG2 THR 17 15.592 -5.292 -5.799 135 H THR 18 H THR 18 12.527 -2.905 -6.210 136 HA THR 18 HA THR 18 10.037 -4.398 -5.873 137 HB THR 18 HB THR 18 9.943 -2.079 -6.763 138 HG1 THR 18 HG1 THR 18 9.107 -4.137 -8.553 139 HG21 THR 18 3HG2 THR 18 10.719 -1.572 -8.978 140 HG22 THR 18 1HG2 THR 18 11.228 -3.240 -9.235 141 HG23 THR 18 2HG2 THR 18 12.074 -2.231 -8.062 142 H LEU 19 H LEU 19 13.108 -4.910 -7.072 143 HA LEU 19 HA LEU 19 14.058 -6.546 -8.332 144 HB2 LEU 19 1HB LEU 19 11.343 -7.844 -8.152 145 HB3 LEU 19 2HB LEU 19 12.849 -8.637 -8.611 146 HG LEU 19 HG LEU 19 13.628 -7.897 -6.228 147 HD11 LEU 19 1HD1 LEU 19 10.661 -7.580 -6.129 148 HD12 LEU 19 2HD1 LEU 19 11.923 -6.584 -5.405 149 HD13 LEU 19 3HD1 LEU 19 11.534 -8.157 -4.708 150 HD21 LEU 19 3HD2 LEU 19 12.498 -10.230 -7.327 151 HD22 LEU 19 1HD2 LEU 19 11.806 -10.040 -5.717 152 HD23 LEU 19 2HD2 LEU 19 13.557 -10.092 -5.923 153 H SER 20 H SER 20 13.305 -8.085 -10.403 154 HA SER 20 HA SER 20 12.954 -6.167 -12.496 155 HB2 SER 20 1HB SER 20 13.132 -9.188 -12.568 156 HB3 SER 20 2HB SER 20 13.116 -8.155 -13.997 157 HG SER 20 HG SER 20 15.119 -8.554 -12.103 158 H GLU 21 H GLU 21 11.359 -6.473 -14.261 159 HA GLU 21 HA GLU 21 8.721 -6.474 -13.212 160 HB2 GLU 21 1HB GLU 21 8.011 -6.158 -15.541 161 HB3 GLU 21 2HB GLU 21 9.333 -5.079 -15.116 162 HG2 GLU 21 1HG GLU 21 10.904 -6.631 -16.220 163 HG3 GLU 21 2HG GLU 21 9.532 -7.617 -16.720 164 H ASP 22 H ASP 22 10.739 -8.904 -14.615 165 HA ASP 22 HA ASP 22 8.828 -10.708 -15.563 166 HB2 ASP 22 1HB ASP 22 11.565 -11.176 -14.371 167 HB3 ASP 22 2HB ASP 22 10.601 -12.449 -15.114 168 H ASP 23 H ASP 23 9.967 -10.057 -12.316 169 HA ASP 23 HA ASP 23 8.241 -12.199 -11.279 170 HB2 ASP 23 1HB ASP 23 10.610 -10.750 -10.113 171 HB3 ASP 23 2HB ASP 23 9.507 -11.678 -9.100 172 H THR 24 H THR 24 7.342 -11.586 -9.002 173 HA THR 24 HA THR 24 6.189 -8.877 -9.167 174 HB THR 24 HB THR 24 4.273 -10.176 -7.793 175 HG1 THR 24 HG1 THR 24 5.567 -12.187 -8.286 176 HG21 THR 24 3HG2 THR 24 4.541 -9.026 -10.308 177 HG22 THR 24 1HG2 THR 24 3.035 -9.504 -9.527 178 HG23 THR 24 2HG2 THR 24 3.849 -10.616 -10.627 179 H VAL 25 H VAL 25 5.019 -8.440 -6.912 180 HA VAL 25 HA VAL 25 7.124 -8.298 -4.991 181 HB VAL 25 HB VAL 25 4.214 -7.523 -4.875 182 HG11 VAL 25 1HG1 VAL 25 5.011 -6.291 -2.744 183 HG12 VAL 25 2HG1 VAL 25 4.603 -8.005 -2.639 184 HG13 VAL 25 3HG1 VAL 25 6.292 -7.502 -2.721 185 HG21 VAL 25 3HG2 VAL 25 6.561 -6.273 -5.860 186 HG22 VAL 25 1HG2 VAL 25 4.924 -5.622 -5.774 187 HG23 VAL 25 2HG2 VAL 25 6.039 -5.386 -4.428 188 H LEU 26 H LEU 26 4.366 -10.378 -5.480 189 HA LEU 26 HA LEU 26 4.099 -11.481 -2.935 190 HB2 LEU 26 1HB LEU 26 3.080 -13.398 -4.044 191 HB3 LEU 26 2HB LEU 26 2.494 -11.874 -4.707 192 HG LEU 26 HG LEU 26 4.380 -12.338 -6.503 193 HD11 LEU 26 1HD1 LEU 26 3.846 -15.052 -6.705 194 HD12 LEU 26 2HD1 LEU 26 4.233 -14.806 -5.003 195 HD13 LEU 26 3HD1 LEU 26 5.378 -14.307 -6.248 196 HD21 LEU 26 3HD2 LEU 26 1.647 -12.479 -6.437 197 HD22 LEU 26 1HD2 LEU 26 2.094 -14.081 -7.023 198 HD23 LEU 26 2HD2 LEU 26 2.645 -12.643 -7.882 199 H ASP 27 H ASP 27 6.389 -12.176 -5.499 200 HA ASP 27 HA ASP 27 7.436 -14.563 -4.375 201 HB2 ASP 27 1HB ASP 27 8.259 -12.671 -6.523 202 HB3 ASP 27 2HB ASP 27 9.488 -13.752 -5.871 203 H LEU 28 H LEU 28 8.558 -11.189 -4.319 204 HA LEU 28 HA LEU 28 10.814 -11.692 -2.682 205 HB2 LEU 28 1HB LEU 28 11.222 -9.467 -2.823 206 HB3 LEU 28 2HB LEU 28 10.112 -9.630 -4.181 207 HG LEU 28 HG LEU 28 8.321 -9.009 -2.338 208 HD11 LEU 28 1HD1 LEU 28 9.075 -8.192 -0.417 209 HD12 LEU 28 2HD1 LEU 28 10.210 -7.126 -1.243 210 HD13 LEU 28 3HD1 LEU 28 10.675 -8.785 -0.867 211 HD21 LEU 28 3HD2 LEU 28 9.936 -6.688 -3.227 212 HD22 LEU 28 1HD2 LEU 28 8.201 -6.980 -3.351 213 HD23 LEU 28 2HD2 LEU 28 9.310 -7.768 -4.473 214 H LYS 29 H LYS 29 7.463 -10.928 -2.012 215 HA LYS 29 HA LYS 29 7.778 -10.284 0.729 216 HB2 LYS 29 1HB LYS 29 5.524 -10.020 0.743 217 HB3 LYS 29 2HB LYS 29 5.729 -10.075 -1.003 218 HG2 LYS 29 1HG LYS 29 4.042 -11.579 -0.763 219 HG3 LYS 29 2HG LYS 29 5.425 -12.665 -0.612 220 HD2 LYS 29 1HD LYS 29 5.134 -12.938 1.651 221 HD3 LYS 29 2HD LYS 29 4.339 -11.374 1.846 222 HE2 LYS 29 1HE LYS 29 2.728 -13.142 2.162 223 HE3 LYS 29 2HE LYS 29 2.361 -12.273 0.673 224 HZ1 LYS 29 3HZ LYS 29 3.508 -14.972 0.997 225 HZ2 LYS 29 1HZ LYS 29 3.730 -14.106 -0.440 226 HZ3 LYS 29 2HZ LYS 29 2.168 -14.490 0.083 227 H GLN 30 H GLN 30 7.528 -13.285 -1.013 228 HA GLN 30 HA GLN 30 6.907 -14.900 1.269 229 HB2 GLN 30 1HB GLN 30 7.683 -15.428 -1.569 230 HB3 GLN 30 2HB GLN 30 7.798 -16.736 -0.398 231 HG2 GLN 30 1HG GLN 30 5.335 -15.939 0.166 232 HG3 GLN 30 2HG GLN 30 5.411 -15.377 -1.503 233 HE21 GLN 30 2HE2 GLN 30 3.617 -17.031 -1.544 234 HE22 GLN 30 1HE2 GLN 30 4.068 -18.652 -1.938 235 H PHE 31 H PHE 31 9.842 -13.963 -0.433 236 HA PHE 31 HA PHE 31 11.585 -15.731 0.937 237 HB2 PHE 31 1HB PHE 31 11.890 -13.364 -0.832 238 HB3 PHE 31 2HB PHE 31 13.261 -13.772 0.194 239 HD1 PHE 31 HD2 PHE 31 10.806 -15.636 -1.917 240 HD2 PHE 31 HD1 PHE 31 14.875 -15.018 -0.834 241 HE1 PHE 31 HE2 PHE 31 11.493 -17.361 -3.530 242 HE2 PHE 31 HE1 PHE 31 15.569 -16.743 -2.447 243 HZ PHE 31 HZ PHE 31 13.877 -17.917 -3.796 244 H LEU 32 H LEU 32 10.352 -12.531 1.621 245 HA LEU 32 HA LEU 32 12.189 -11.949 3.729 246 HB2 LEU 32 1HB LEU 32 9.511 -10.774 3.010 247 HB3 LEU 32 2HB LEU 32 10.546 -10.152 4.293 248 HG LEU 32 HG LEU 32 11.122 -10.166 1.334 249 HD11 LEU 32 1HD1 LEU 32 9.560 -8.438 2.158 250 HD12 LEU 32 2HD1 LEU 32 11.069 -7.767 1.539 251 HD13 LEU 32 3HD1 LEU 32 10.805 -7.885 3.279 252 HD21 LEU 32 3HD2 LEU 32 12.873 -9.333 3.644 253 HD22 LEU 32 1HD2 LEU 32 13.202 -8.981 1.948 254 HD23 LEU 32 2HD2 LEU 32 13.172 -10.652 2.511 255 H LYS 33 H LYS 33 9.000 -13.410 3.532 256 HA LYS 33 HA LYS 33 8.498 -13.438 6.332 257 HB2 LYS 33 1HB LYS 33 6.548 -13.682 5.127 258 HB3 LYS 33 2HB LYS 33 7.292 -14.735 3.930 259 HG2 LYS 33 1HG LYS 33 7.049 -15.769 6.696 260 HG3 LYS 33 2HG LYS 33 5.573 -15.628 5.738 261 HD2 LYS 33 1HD LYS 33 6.145 -17.334 4.390 262 HD3 LYS 33 2HD LYS 33 7.834 -16.828 4.307 263 HE2 LYS 33 1HE LYS 33 8.248 -17.809 6.497 264 HE3 LYS 33 2HE LYS 33 6.552 -18.273 6.626 265 HZ1 LYS 33 3HZ LYS 33 8.446 -19.262 4.562 266 HZ2 LYS 33 1HZ LYS 33 6.829 -19.730 4.733 267 HZ3 LYS 33 2HZ LYS 33 7.955 -20.125 5.931 268 H THR 34 H THR 34 10.167 -15.568 4.127 269 HA THR 34 HA THR 34 10.404 -17.672 6.123 270 HB THR 34 HB THR 34 10.054 -18.310 3.774 271 HG1 THR 34 HG1 THR 34 11.787 -19.835 3.715 272 HG21 THR 34 3HG2 THR 34 11.320 -16.395 2.793 273 HG22 THR 34 1HG2 THR 34 11.738 -17.958 2.094 274 HG23 THR 34 2HG2 THR 34 12.815 -17.200 3.268 275 H LEU 35 H LEU 35 12.261 -15.055 4.789 276 HA LEU 35 HA LEU 35 14.769 -15.996 5.880 277 HB2 LEU 35 1HB LEU 35 14.829 -14.767 3.819 278 HB3 LEU 35 2HB LEU 35 13.966 -13.415 4.549 279 HG LEU 35 HG LEU 35 16.168 -13.541 6.132 280 HD11 LEU 35 1HD1 LEU 35 16.833 -14.791 3.536 281 HD12 LEU 35 2HD1 LEU 35 17.561 -15.016 5.126 282 HD13 LEU 35 3HD1 LEU 35 17.967 -13.595 4.164 283 HD21 LEU 35 3HD2 LEU 35 15.011 -11.709 4.570 284 HD22 LEU 35 1HD2 LEU 35 16.466 -12.009 3.619 285 HD23 LEU 35 2HD2 LEU 35 16.603 -11.480 5.296 286 H THR 36 H THR 36 12.480 -13.361 6.540 287 HA THR 36 HA THR 36 13.855 -12.846 9.081 288 HB THR 36 HB THR 36 12.963 -10.705 9.105 289 HG1 THR 36 HG1 THR 36 11.003 -11.520 7.200 290 HG21 THR 36 3HG2 THR 36 14.508 -10.963 7.211 291 HG22 THR 36 1HG2 THR 36 13.275 -9.746 6.882 292 HG23 THR 36 2HG2 THR 36 13.146 -11.350 6.159 293 H GLY 37 H GLY 37 10.666 -13.580 7.725 294 HA2 GLY 37 1HA GLY 37 8.721 -14.305 8.716 295 HA3 GLY 37 2HA GLY 37 9.801 -15.237 9.743 296 H VAL 38 H VAL 38 9.860 -11.751 9.721 297 HA VAL 38 HA VAL 38 8.633 -11.767 12.403 298 HB VAL 38 HB VAL 38 11.070 -11.238 12.392 299 HG11 VAL 38 1HG1 VAL 38 11.969 -9.391 11.328 300 HG12 VAL 38 2HG1 VAL 38 10.802 -9.973 10.139 301 HG13 VAL 38 3HG1 VAL 38 10.405 -8.594 11.165 302 HG21 VAL 38 3HG2 VAL 38 9.853 -8.690 13.223 303 HG22 VAL 38 1HG2 VAL 38 9.092 -10.143 13.871 304 HG23 VAL 38 2HG2 VAL 38 10.808 -9.848 14.148 305 H LEU 39 H LEU 39 8.497 -10.539 9.229 306 HA LEU 39 HA LEU 39 7.409 -8.023 9.487 307 HB2 LEU 39 1HB LEU 39 7.150 -10.210 7.504 308 HB3 LEU 39 2HB LEU 39 5.977 -8.898 7.413 309 HG LEU 39 HG LEU 39 7.766 -7.288 7.091 310 HD11 LEU 39 1HD1 LEU 39 9.614 -8.013 8.257 311 HD12 LEU 39 2HD1 LEU 39 10.082 -8.369 6.595 312 HD13 LEU 39 3HD1 LEU 39 9.492 -9.661 7.640 313 HD21 LEU 39 3HD2 LEU 39 8.776 -8.937 5.039 314 HD22 LEU 39 1HD2 LEU 39 7.498 -7.725 4.933 315 HD23 LEU 39 2HD2 LEU 39 7.093 -9.404 5.294 316 HA PRO 40 HA PRO 40 3.003 -9.981 9.896 317 HB2 PRO 40 1HB PRO 40 2.881 -12.640 10.428 318 HB3 PRO 40 2HB PRO 40 2.896 -11.989 8.785 319 HG2 PRO 40 1HG PRO 40 5.147 -13.144 10.385 320 HG3 PRO 40 2HG PRO 40 4.741 -13.401 8.678 321 HD2 PRO 40 1HD PRO 40 6.697 -11.705 9.471 322 HD3 PRO 40 2HD PRO 40 5.718 -11.420 8.018 323 H GLU 41 H GLU 41 5.698 -10.493 11.865 324 HA GLU 41 HA GLU 41 4.070 -10.993 14.253 325 HB2 GLU 41 1HB GLU 41 7.050 -11.140 13.788 326 HB3 GLU 41 2HB GLU 41 6.302 -11.331 15.367 327 HG2 GLU 41 1HG GLU 41 5.353 -13.047 13.135 328 HG3 GLU 41 2HG GLU 41 6.914 -13.403 13.874 329 H ARG 42 H ARG 42 7.099 -9.187 13.887 330 HA ARG 42 HA ARG 42 5.773 -6.871 15.137 331 HB2 ARG 42 1HB ARG 42 8.664 -7.669 15.501 332 HB3 ARG 42 2HB ARG 42 7.808 -6.377 16.333 333 HG2 ARG 42 1HG ARG 42 7.057 -9.278 16.576 334 HG3 ARG 42 2HG ARG 42 8.179 -8.463 17.668 335 HD2 ARG 42 1HD ARG 42 6.289 -6.750 17.992 336 HD3 ARG 42 2HD ARG 42 5.247 -7.975 17.271 337 HE ARG 42 HE ARG 42 5.385 -9.194 19.210 338 HH11 ARG 42 1HH1 ARG 42 7.822 -6.707 19.228 339 HH12 ARG 42 2HH1 ARG 42 8.263 -6.969 20.882 340 HH21 ARG 42 1HH2 ARG 42 5.958 -9.549 21.389 341 HH22 ARG 42 2HH2 ARG 42 7.203 -8.587 22.111 342 H GLN 43 H GLN 43 5.368 -6.130 12.952 343 HA GLN 43 HA GLN 43 7.756 -5.204 11.518 344 HB2 GLN 43 1HB GLN 43 6.438 -6.378 9.998 345 HB3 GLN 43 2HB GLN 43 4.935 -5.773 10.682 346 HG2 GLN 43 1HG GLN 43 5.394 -3.565 9.751 347 HG3 GLN 43 2HG GLN 43 6.905 -4.166 9.070 348 HE21 GLN 43 2HE2 GLN 43 3.492 -3.996 8.742 349 HE22 GLN 43 1HE2 GLN 43 3.375 -4.799 7.217 350 H LYS 44 H LYS 44 8.329 -3.148 11.672 351 HA LYS 44 HA LYS 44 6.299 -1.075 11.925 352 HB2 LYS 44 1HB LYS 44 8.199 -1.842 14.059 353 HB3 LYS 44 2HB LYS 44 8.063 -0.117 13.742 354 HG2 LYS 44 1HG LYS 44 5.525 -1.600 13.999 355 HG3 LYS 44 2HG LYS 44 6.494 -1.433 15.465 356 HD2 LYS 44 1HD LYS 44 6.627 1.087 14.556 357 HD3 LYS 44 2HD LYS 44 5.064 0.618 13.882 358 HE2 LYS 44 1HE LYS 44 4.586 -0.267 16.273 359 HE3 LYS 44 2HE LYS 44 5.922 0.780 16.747 360 HZ1 LYS 44 3HZ LYS 44 4.767 2.668 16.149 361 HZ2 LYS 44 1HZ LYS 44 3.536 1.701 16.790 362 HZ3 LYS 44 2HZ LYS 44 3.713 1.844 15.114 363 H LEU 45 H LEU 45 6.860 -0.267 9.934 364 HA LEU 45 HA LEU 45 9.648 0.538 9.515 365 HB2 LEU 45 1HB LEU 45 7.401 0.627 7.518 366 HB3 LEU 45 2HB LEU 45 9.131 0.734 7.200 367 HG LEU 45 HG LEU 45 9.164 -1.685 8.201 368 HD11 LEU 45 1HD1 LEU 45 6.286 -1.161 7.701 369 HD12 LEU 45 2HD1 LEU 45 7.061 -2.174 8.919 370 HD13 LEU 45 3HD1 LEU 45 6.929 -2.742 7.255 371 HD21 LEU 45 3HD2 LEU 45 8.140 -0.995 5.450 372 HD22 LEU 45 1HD2 LEU 45 8.747 -2.581 5.926 373 HD23 LEU 45 2HD2 LEU 45 9.823 -1.183 5.944 374 H LEU 46 H LEU 46 9.663 2.642 8.004 375 HA LEU 46 HA LEU 46 8.418 4.716 9.639 376 HB2 LEU 46 1HB LEU 46 10.155 6.046 9.106 377 HB3 LEU 46 2HB LEU 46 10.932 4.504 8.753 378 HG LEU 46 HG LEU 46 9.649 6.327 6.718 379 HD11 LEU 46 1HD1 LEU 46 11.593 7.378 6.509 380 HD12 LEU 46 2HD1 LEU 46 12.479 5.855 6.434 381 HD13 LEU 46 3HD1 LEU 46 12.109 6.583 7.997 382 HD21 LEU 46 3HD2 LEU 46 9.523 4.401 5.566 383 HD22 LEU 46 1HD2 LEU 46 10.658 3.570 6.630 384 HD23 LEU 46 2HD2 LEU 46 11.259 4.627 5.352 385 H GLY 47 H GLY 47 7.803 3.074 6.795 386 HA2 GLY 47 1HA GLY 47 5.617 4.764 6.116 387 HA3 GLY 47 2HA GLY 47 6.945 4.987 4.986 388 H LEU 48 H LEU 48 7.937 2.481 4.671 389 HA LEU 48 HA LEU 48 6.105 1.320 2.873 390 HB2 LEU 48 1HB LEU 48 8.405 1.015 2.452 391 HB3 LEU 48 2HB LEU 48 8.692 0.367 4.065 392 HG LEU 48 HG LEU 48 7.338 -1.637 3.403 393 HD11 LEU 48 1HD1 LEU 48 7.747 -1.210 0.560 394 HD12 LEU 48 2HD1 LEU 48 6.596 -0.072 1.260 395 HD13 LEU 48 3HD1 LEU 48 6.331 -1.808 1.424 396 HD21 LEU 48 3HD2 LEU 48 9.806 -1.045 1.773 397 HD22 LEU 48 1HD2 LEU 48 9.136 -2.646 2.085 398 HD23 LEU 48 2HD2 LEU 48 9.773 -1.682 3.417 399 H LYS 49 H LYS 49 5.067 -0.723 2.947 400 HA LYS 49 HA LYS 49 3.682 -2.261 3.894 401 HB2 LYS 49 1HB LYS 49 6.217 -2.424 5.351 402 HB3 LYS 49 2HB LYS 49 4.846 -3.036 6.267 403 HG2 LYS 49 1HG LYS 49 5.700 -3.943 3.525 404 HG3 LYS 49 2HG LYS 49 5.924 -4.822 5.039 405 HD2 LYS 49 1HD LYS 49 3.379 -4.685 5.280 406 HD3 LYS 49 2HD LYS 49 3.368 -4.221 3.577 407 HE2 LYS 49 1HE LYS 49 3.115 -6.494 3.401 408 HE3 LYS 49 2HE LYS 49 4.870 -6.354 3.311 409 HZ1 LYS 49 3HZ LYS 49 3.221 -7.203 5.615 410 HZ2 LYS 49 1HZ LYS 49 4.830 -6.716 5.801 411 HZ3 LYS 49 2HZ LYS 49 4.458 -8.056 4.839 412 H VAL 50 H VAL 50 2.072 -0.642 4.295 413 HA VAL 50 HA VAL 50 1.928 0.478 6.978 414 HB VAL 50 HB VAL 50 1.329 1.939 5.130 415 HG11 VAL 50 1HG1 VAL 50 -0.693 1.505 3.789 416 HG12 VAL 50 2HG1 VAL 50 0.560 0.289 3.532 417 HG13 VAL 50 3HG1 VAL 50 -0.835 -0.080 4.547 418 HG21 VAL 50 3HG2 VAL 50 0.067 1.847 7.432 419 HG22 VAL 50 1HG2 VAL 50 -0.480 2.921 6.145 420 HG23 VAL 50 2HG2 VAL 50 -1.301 1.384 6.419 421 H LYS 51 H LYS 51 0.575 -0.180 8.554 422 HA LYS 51 HA LYS 51 -0.580 -2.761 8.418 423 HB2 LYS 51 1HB LYS 51 -1.144 -2.478 10.664 424 HB3 LYS 51 2HB LYS 51 0.276 -1.457 10.476 425 HG2 LYS 51 1HG LYS 51 -2.573 -0.483 10.405 426 HG3 LYS 51 2HG LYS 51 -1.500 -0.397 11.804 427 HD2 LYS 51 1HD LYS 51 0.071 0.967 10.447 428 HD3 LYS 51 2HD LYS 51 -1.112 0.960 9.136 429 HE2 LYS 51 1HE LYS 51 -1.369 3.009 10.328 430 HE3 LYS 51 2HE LYS 51 -2.750 1.987 10.724 431 HZ1 LYS 51 3HZ LYS 51 -2.237 2.373 12.836 432 HZ2 LYS 51 1HZ LYS 51 -0.742 3.061 12.444 433 HZ3 LYS 51 2HZ LYS 51 -0.881 1.385 12.625 434 H GLY 52 H GLY 52 -2.653 -3.435 8.115 435 HA2 GLY 52 1HA GLY 52 -4.961 -3.261 7.827 436 HA3 GLY 52 2HA GLY 52 -4.825 -1.516 7.987 437 H LYS 53 H LYS 53 -2.511 -2.088 5.864 438 HA LYS 53 HA LYS 53 -4.100 -2.556 3.493 439 HB2 LYS 53 1HB LYS 53 -2.933 0.149 4.132 440 HB3 LYS 53 2HB LYS 53 -3.296 -0.350 2.485 441 HG2 LYS 53 1HG LYS 53 -5.659 -0.847 3.411 442 HG3 LYS 53 2HG LYS 53 -5.168 0.193 4.749 443 HD2 LYS 53 1HD LYS 53 -4.955 1.029 1.865 444 HD3 LYS 53 2HD LYS 53 -6.394 1.325 2.844 445 HE2 LYS 53 1HE LYS 53 -3.706 2.171 3.843 446 HE3 LYS 53 2HE LYS 53 -4.546 3.155 2.645 447 HZ1 LYS 53 3HZ LYS 53 -6.355 2.479 4.677 448 HZ2 LYS 53 1HZ LYS 53 -5.775 4.011 4.254 449 HZ3 LYS 53 2HZ LYS 53 -4.953 3.084 5.406 450 HA PRO 54 HA PRO 54 0.374 -3.862 3.335 451 HB2 PRO 54 1HB PRO 54 -0.144 -6.435 2.642 452 HB3 PRO 54 2HB PRO 54 -0.073 -5.888 4.321 453 HG2 PRO 54 1HG PRO 54 -2.464 -6.356 2.581 454 HG3 PRO 54 2HG PRO 54 -2.214 -6.796 4.280 455 HD2 PRO 54 1HD PRO 54 -3.648 -4.624 3.534 456 HD3 PRO 54 2HD PRO 54 -2.698 -4.672 5.033 457 H ALA 55 H ALA 55 1.562 -3.906 1.491 458 HA ALA 55 HA ALA 55 0.555 -3.063 -0.926 459 HB1 ALA 55 1HB ALA 55 2.959 -3.083 -0.225 460 HB2 ALA 55 2HB ALA 55 3.002 -4.796 -0.646 461 HB3 ALA 55 3HB ALA 55 2.669 -3.590 -1.889 462 H GLU 56 H GLU 56 -0.546 -3.974 -2.537 463 HA GLU 56 HA GLU 56 -1.453 -6.662 -2.357 464 HB2 GLU 56 1HB GLU 56 -2.642 -4.650 -3.419 465 HB3 GLU 56 2HB GLU 56 -1.628 -4.946 -4.824 466 HG2 GLU 56 1HG GLU 56 -2.660 -6.946 -5.319 467 HG3 GLU 56 2HG GLU 56 -3.248 -7.169 -3.672 468 H ASN 57 H ASN 57 -1.012 -8.426 -3.694 469 HA ASN 57 HA ASN 57 1.676 -8.792 -4.418 470 HB2 ASN 57 1HB ASN 57 0.896 -10.909 -5.451 471 HB3 ASN 57 2HB ASN 57 0.266 -10.678 -3.822 472 HD21 ASN 57 2HD2 ASN 57 -1.829 -10.938 -3.540 473 HD22 ASN 57 1HD2 ASN 57 -3.028 -10.934 -4.784 474 H ASP 58 H ASP 58 -1.082 -7.653 -6.207 475 HA ASP 58 HA ASP 58 -0.232 -8.075 -8.824 476 HB2 ASP 58 1HB ASP 58 -2.440 -7.324 -8.586 477 HB3 ASP 58 2HB ASP 58 -1.969 -5.979 -7.550 478 H VAL 59 H VAL 59 0.947 -5.897 -6.433 479 HA VAL 59 HA VAL 59 2.060 -3.883 -8.023 480 HB VAL 59 HB VAL 59 3.087 -4.992 -5.407 481 HG11 VAL 59 1HG1 VAL 59 4.833 -3.643 -5.666 482 HG12 VAL 59 2HG1 VAL 59 4.187 -3.030 -7.190 483 HG13 VAL 59 3HG1 VAL 59 3.724 -2.272 -5.665 484 HG21 VAL 59 3HG2 VAL 59 1.524 -3.793 -4.345 485 HG22 VAL 59 1HG2 VAL 59 1.739 -2.404 -5.411 486 HG23 VAL 59 2HG2 VAL 59 0.696 -3.739 -5.901 487 H LYS 60 H LYS 60 3.831 -3.749 -9.267 488 HA LYS 60 HA LYS 60 5.959 -5.712 -9.042 489 HB2 LYS 60 1HB LYS 60 5.833 -6.074 -11.583 490 HB3 LYS 60 2HB LYS 60 4.677 -6.935 -10.575 491 HG2 LYS 60 1HG LYS 60 3.066 -6.117 -11.852 492 HG3 LYS 60 2HG LYS 60 3.438 -4.517 -11.207 493 HD2 LYS 60 1HD LYS 60 3.704 -4.079 -13.428 494 HD3 LYS 60 2HD LYS 60 5.338 -4.636 -13.060 495 HE2 LYS 60 1HE LYS 60 5.070 -6.593 -14.189 496 HE3 LYS 60 2HE LYS 60 3.348 -6.694 -13.824 497 HZ1 LYS 60 3HZ LYS 60 3.482 -4.528 -15.421 498 HZ2 LYS 60 1HZ LYS 60 3.096 -6.090 -15.945 499 HZ3 LYS 60 2HZ LYS 60 4.680 -5.516 -16.091 500 H LEU 61 H LEU 61 7.714 -5.201 -10.733 501 HA LEU 61 HA LEU 61 8.705 -2.663 -10.318 502 HB2 LEU 61 1HB LEU 61 10.183 -4.352 -11.048 503 HB3 LEU 61 2HB LEU 61 9.230 -4.662 -12.498 504 HG LEU 61 HG LEU 61 9.910 -2.406 -13.334 505 HD11 LEU 61 1HD1 LEU 61 10.455 -1.475 -11.094 506 HD12 LEU 61 2HD1 LEU 61 11.726 -1.241 -12.294 507 HD13 LEU 61 3HD1 LEU 61 11.892 -2.496 -11.066 508 HD21 LEU 61 3HD2 LEU 61 11.027 -4.439 -14.087 509 HD22 LEU 61 1HD2 LEU 61 12.138 -4.346 -12.721 510 HD23 LEU 61 2HD2 LEU 61 12.168 -3.099 -13.968 511 H GLY 62 H GLY 62 7.072 -3.864 -13.254 512 HA2 GLY 62 1HA GLY 62 7.098 -1.456 -14.677 513 HA3 GLY 62 2HA GLY 62 5.936 -2.754 -14.910 514 H ALA 63 H ALA 63 5.313 -2.293 -11.895 515 HA ALA 63 HA ALA 63 3.221 -0.326 -12.421 516 HB1 ALA 63 1HB ALA 63 2.811 -2.622 -11.370 517 HB2 ALA 63 2HB ALA 63 3.506 -1.932 -9.903 518 HB3 ALA 63 3HB ALA 63 2.051 -1.225 -10.607 519 H LEU 64 H LEU 64 6.225 -0.606 -10.798 520 HA LEU 64 HA LEU 64 5.691 1.849 -9.265 521 HB2 LEU 64 1HB LEU 64 7.946 -0.110 -8.881 522 HB3 LEU 64 2HB LEU 64 7.520 1.239 -7.830 523 HG LEU 64 HG LEU 64 5.628 -1.047 -8.292 524 HD11 LEU 64 1HD1 LEU 64 8.169 -1.252 -7.078 525 HD12 LEU 64 2HD1 LEU 64 6.870 -2.444 -7.105 526 HD13 LEU 64 3HD1 LEU 64 6.966 -1.276 -5.788 527 HD21 LEU 64 3HD2 LEU 64 4.691 -0.331 -6.190 528 HD22 LEU 64 1HD2 LEU 64 4.794 1.051 -7.282 529 HD23 LEU 64 2HD2 LEU 64 5.973 0.863 -5.984 530 H LYS 65 H LYS 65 8.534 0.291 -10.757 531 HA LYS 65 HA LYS 65 10.244 1.123 -12.004 532 HB2 LYS 65 1HB LYS 65 7.951 2.865 -12.836 533 HB3 LYS 65 2HB LYS 65 9.569 3.207 -13.434 534 HG2 LYS 65 1HG LYS 65 8.458 0.450 -13.681 535 HG3 LYS 65 2HG LYS 65 7.956 1.709 -14.813 536 HD2 LYS 65 1HD LYS 65 10.576 2.106 -14.945 537 HD3 LYS 65 2HD LYS 65 10.606 0.409 -14.459 538 HE2 LYS 65 1HE LYS 65 10.651 0.493 -16.846 539 HE3 LYS 65 2HE LYS 65 9.060 -0.084 -16.354 540 HZ1 LYS 65 3HZ LYS 65 9.356 2.789 -16.744 541 HZ2 LYS 65 1HZ LYS 65 8.050 1.776 -17.105 542 HZ3 LYS 65 2HZ LYS 65 9.389 1.828 -18.136 543 H LEU 66 H LEU 66 9.945 2.007 -9.266 544 HA LEU 66 HA LEU 66 10.844 4.779 -9.294 545 HB2 LEU 66 1HB LEU 66 9.656 2.971 -7.353 546 HB3 LEU 66 2HB LEU 66 11.025 3.864 -6.692 547 HG LEU 66 HG LEU 66 9.079 5.513 -8.148 548 HD11 LEU 66 1HD1 LEU 66 8.202 4.666 -5.438 549 HD12 LEU 66 2HD1 LEU 66 7.817 3.625 -6.809 550 HD13 LEU 66 3HD1 LEU 66 7.260 5.298 -6.789 551 HD21 LEU 66 3HD2 LEU 66 10.866 6.554 -6.958 552 HD22 LEU 66 1HD2 LEU 66 10.486 5.656 -5.488 553 HD23 LEU 66 2HD2 LEU 66 9.373 6.890 -6.079 554 H LYS 67 H LYS 67 12.642 5.093 -7.437 555 HA LYS 67 HA LYS 67 14.874 3.326 -8.200 556 HB2 LYS 67 1HB LYS 67 16.362 5.171 -8.040 557 HB3 LYS 67 2HB LYS 67 14.981 5.729 -8.975 558 HG2 LYS 67 1HG LYS 67 14.084 6.854 -7.019 559 HG3 LYS 67 2HG LYS 67 15.428 6.257 -6.044 560 HD2 LYS 67 1HD LYS 67 15.813 8.565 -6.721 561 HD3 LYS 67 2HD LYS 67 17.000 7.491 -7.465 562 HE2 LYS 67 1HE LYS 67 15.953 7.619 -9.567 563 HE3 LYS 67 2HE LYS 67 14.477 8.298 -8.882 564 HZ1 LYS 67 3HZ LYS 67 16.999 9.784 -8.617 565 HZ2 LYS 67 1HZ LYS 67 15.412 10.366 -8.684 566 HZ3 LYS 67 2HZ LYS 67 16.172 9.822 -10.093 567 HA PRO 68 HA PRO 68 15.494 2.230 -3.994 568 HB2 PRO 68 1HB PRO 68 18.194 1.966 -3.906 569 HB3 PRO 68 2HB PRO 68 17.142 0.808 -4.729 570 HG2 PRO 68 1HG PRO 68 18.751 3.056 -5.878 571 HG3 PRO 68 2HG PRO 68 18.544 1.403 -6.487 572 HD2 PRO 68 1HD PRO 68 17.181 3.511 -7.503 573 HD3 PRO 68 2HD PRO 68 16.497 1.875 -7.435 574 H ASN 69 H ASN 69 16.797 5.122 -5.277 575 HA ASN 69 HA ASN 69 18.283 6.162 -3.185 576 HB2 ASN 69 1HB ASN 69 17.852 7.159 -5.506 577 HB3 ASN 69 2HB ASN 69 16.377 7.832 -4.818 578 HD21 ASN 69 2HD2 ASN 69 19.796 8.049 -5.011 579 HD22 ASN 69 1HD2 ASN 69 19.979 9.488 -4.072 580 H THR 70 H THR 70 14.883 5.616 -3.400 581 HA THR 70 HA THR 70 13.789 7.438 -1.662 582 HB THR 70 HB THR 70 12.361 5.299 -0.922 583 HG1 THR 70 HG1 THR 70 13.186 4.469 -3.485 584 HG21 THR 70 3HG2 THR 70 12.268 6.589 -3.651 585 HG22 THR 70 1HG2 THR 70 11.493 7.189 -2.186 586 HG23 THR 70 2HG2 THR 70 10.955 5.674 -2.911 587 H LYS 71 H LYS 71 15.388 4.376 -0.835 588 HA LYS 71 HA LYS 71 16.343 3.629 1.089 589 HB2 LYS 71 1HB LYS 71 16.581 6.553 1.246 590 HB3 LYS 71 2HB LYS 71 16.639 5.744 2.807 591 HG2 LYS 71 1HG LYS 71 18.439 4.278 1.902 592 HG3 LYS 71 2HG LYS 71 18.443 5.275 0.445 593 HD2 LYS 71 1HD LYS 71 20.015 6.457 1.538 594 HD3 LYS 71 2HD LYS 71 18.637 7.172 2.378 595 HE2 LYS 71 1HE LYS 71 18.958 5.054 3.934 596 HE3 LYS 71 2HE LYS 71 20.607 5.150 3.317 597 HZ1 LYS 71 3HZ LYS 71 20.787 7.383 4.129 598 HZ2 LYS 71 1HZ LYS 71 20.269 6.393 5.399 599 HZ3 LYS 71 2HZ LYS 71 19.165 7.401 4.609 600 H ILE 72 H ILE 72 15.138 2.389 2.354 601 HA ILE 72 HA ILE 72 12.908 3.626 3.830 602 HB ILE 72 HB ILE 72 12.213 1.894 2.218 603 HG12 ILE 72 1HG1 ILE 72 11.251 2.280 4.672 604 HG13 ILE 72 2HG1 ILE 72 10.608 1.033 3.609 605 HG21 ILE 72 1HG2 ILE 72 14.084 0.187 3.830 606 HG22 ILE 72 2HG2 ILE 72 12.777 -0.505 2.871 607 HG23 ILE 72 3HG2 ILE 72 14.046 0.435 2.085 608 HD11 ILE 72 3HD1 ILE 72 11.604 -0.671 4.792 609 HD12 ILE 72 1HD1 ILE 72 12.834 0.386 5.484 610 HD13 ILE 72 2HD1 ILE 72 11.172 0.467 6.068 611 H MET 73 H MET 73 12.605 3.130 6.004 612 HA MET 73 HA MET 73 14.924 1.879 7.323 613 HB2 MET 73 1HB MET 73 13.148 4.147 8.220 614 HB3 MET 73 2HB MET 73 14.243 3.305 9.309 615 HG2 MET 73 1HG MET 73 15.246 4.526 6.771 616 HG3 MET 73 2HG MET 73 15.008 5.503 8.218 617 HE1 MET 73 3HE MET 73 17.944 5.308 10.084 618 HE2 MET 73 1HE MET 73 16.253 5.781 9.916 619 HE3 MET 73 2HE MET 73 16.677 4.330 10.825 620 H MET 74 H MET 74 14.501 -0.008 8.244 621 HA MET 74 HA MET 74 11.730 -0.641 8.974 622 HB2 MET 74 1HB MET 74 13.992 -2.186 7.929 623 HB3 MET 74 2HB MET 74 13.146 -2.981 9.250 624 HG2 MET 74 1HG MET 74 11.017 -2.377 7.879 625 HG3 MET 74 2HG MET 74 12.155 -2.236 6.541 626 HE1 MET 74 3HE MET 74 14.205 -3.916 6.808 627 HE2 MET 74 1HE MET 74 14.098 -5.239 7.970 628 HE3 MET 74 2HE MET 74 13.810 -5.546 6.258 629 H MET 75 H MET 75 11.150 -1.194 11.024 630 HA MET 75 HA MET 75 13.243 -1.408 13.062 631 HB2 MET 75 1HB MET 75 12.678 0.872 13.282 632 HB3 MET 75 2HB MET 75 10.964 0.556 13.049 633 HG2 MET 75 1HG MET 75 11.396 1.091 15.354 634 HG3 MET 75 2HG MET 75 10.894 -0.592 15.213 635 HE1 MET 75 3HE MET 75 13.222 -1.293 18.072 636 HE2 MET 75 1HE MET 75 12.405 0.269 18.015 637 HE3 MET 75 2HE MET 75 11.576 -1.180 17.446 638 H GLY 76 H GLY 76 12.802 -2.834 14.678 639 HA2 GLY 76 1HA GLY 76 11.423 -4.142 16.077 640 HA3 GLY 76 2HA GLY 76 10.072 -3.830 14.997 641 H THR 77 H THR 77 11.956 -4.523 12.695 642 HA THR 77 HA THR 77 11.254 -7.315 12.611 643 HB THR 77 HB THR 77 12.324 -7.260 10.348 644 HG1 THR 77 HG1 THR 77 13.689 -5.340 11.108 645 HG21 THR 77 3HG2 THR 77 10.544 -6.133 9.322 646 HG22 THR 77 1HG2 THR 77 10.418 -4.954 10.627 647 HG23 THR 77 2HG2 THR 77 9.895 -6.619 10.888 648 H ARG 78 H ARG 78 12.463 -8.738 13.686 649 HA ARG 78 HA ARG 78 15.394 -8.487 13.503 650 HB2 ARG 78 1HB ARG 78 13.774 -9.651 15.776 651 HB3 ARG 78 2HB ARG 78 15.530 -9.603 15.692 652 HG2 ARG 78 1HG ARG 78 13.932 -7.082 15.525 653 HG3 ARG 78 2HG ARG 78 14.291 -7.826 17.084 654 HD2 ARG 78 1HD ARG 78 16.732 -7.854 16.254 655 HD3 ARG 78 2HD ARG 78 16.180 -6.683 15.058 656 HE ARG 78 HE ARG 78 15.315 -5.745 17.503 657 HH11 ARG 78 1HH1 ARG 78 18.364 -6.498 16.000 658 HH12 ARG 78 2HH1 ARG 78 19.250 -5.314 16.903 659 HH21 ARG 78 1HH2 ARG 78 16.471 -4.183 18.699 660 HH22 ARG 78 2HH2 ARG 78 18.173 -3.999 18.439 661 H GLU 79 H GLU 79 16.477 -10.686 13.960 662 HA GLU 79 HA GLU 79 15.189 -12.646 12.208 663 HB2 GLU 79 1HB GLU 79 17.647 -11.706 11.995 664 HB3 GLU 79 2HB GLU 79 17.994 -12.947 13.191 665 HG2 GLU 79 1HG GLU 79 18.399 -14.089 11.259 666 HG3 GLU 79 2HG GLU 79 16.705 -14.494 11.528 667 H GLU 80 H GLU 80 14.083 -12.494 14.734 668 HA GLU 80 HA GLU 80 14.967 -15.042 15.919 669 HB2 GLU 80 1HB GLU 80 15.496 -12.940 17.279 670 HB3 GLU 80 2HB GLU 80 13.761 -12.795 17.522 671 HG2 GLU 80 1HG GLU 80 14.872 -13.888 19.404 672 HG3 GLU 80 2HG GLU 80 13.696 -14.943 18.622 673 H SER 81 H SER 81 13.411 -16.515 16.358 674 HA SER 81 HA SER 81 10.910 -16.313 15.103 675 HB2 SER 81 1HB SER 81 12.145 -18.442 15.697 676 HB3 SER 81 2HB SER 81 11.588 -18.213 17.354 677 HG SER 81 HG SER 81 10.120 -19.526 16.327 Start of MODEL 11 1 H1 MET 1 H MET 1 1.308 0.195 0.212 2 HA MET 1 HA MET 1 1.304 -1.558 -2.050 3 HB2 MET 1 1HB MET 1 2.291 0.145 -3.620 4 HB3 MET 1 2HB MET 1 0.580 0.355 -3.273 5 HG2 MET 1 1HG MET 1 0.934 2.245 -1.994 6 HG3 MET 1 2HG MET 1 2.620 1.840 -1.681 7 HE1 MET 1 3HE MET 1 3.481 4.265 -2.218 8 HE2 MET 1 1HE MET 1 2.999 5.178 -3.649 9 HE3 MET 1 2HE MET 1 1.800 4.761 -2.425 10 H ALA 2 H ALA 2 3.574 -1.615 -3.059 11 HA ALA 2 HA ALA 2 5.566 -1.195 -0.925 12 HB1 ALA 2 1HB ALA 2 5.632 -3.449 -0.978 13 HB2 ALA 2 2HB ALA 2 4.979 -3.539 -2.615 14 HB3 ALA 2 3HB ALA 2 6.686 -3.170 -2.365 15 H LEU 3 H LEU 3 7.179 0.135 -1.411 16 HA LEU 3 HA LEU 3 7.597 0.873 -4.218 17 HB2 LEU 3 1HB LEU 3 8.804 2.276 -1.861 18 HB3 LEU 3 2HB LEU 3 8.490 2.903 -3.478 19 HG LEU 3 HG LEU 3 5.978 2.503 -2.773 20 HD11 LEU 3 1HD1 LEU 3 7.475 2.190 -0.287 21 HD12 LEU 3 2HD1 LEU 3 5.814 1.747 -0.678 22 HD13 LEU 3 3HD1 LEU 3 6.196 3.401 -0.200 23 HD21 LEU 3 3HD2 LEU 3 7.629 4.679 -3.031 24 HD22 LEU 3 1HD2 LEU 3 6.973 4.879 -1.406 25 HD23 LEU 3 2HD2 LEU 3 5.882 4.736 -2.785 26 HA PRO 4 HA PRO 4 11.442 -1.259 -4.408 27 HB2 PRO 4 1HB PRO 4 12.645 0.182 -6.370 28 HB3 PRO 4 2HB PRO 4 11.328 -0.955 -6.683 29 HG2 PRO 4 1HG PRO 4 11.233 2.024 -6.413 30 HG3 PRO 4 2HG PRO 4 10.415 0.981 -7.590 31 HD2 PRO 4 1HD PRO 4 9.156 1.990 -5.416 32 HD3 PRO 4 2HD PRO 4 8.743 0.410 -6.111 33 H MET 5 H MET 5 12.242 -0.672 -2.324 34 HA MET 5 HA MET 5 14.337 1.382 -2.453 35 HB2 MET 5 1HB MET 5 12.940 1.026 0.144 36 HB3 MET 5 2HB MET 5 13.679 2.464 -0.548 37 HG2 MET 5 1HG MET 5 11.770 2.643 -2.107 38 HG3 MET 5 2HG MET 5 11.020 1.272 -1.293 39 HE1 MET 5 3HE MET 5 10.267 4.123 -2.048 40 HE2 MET 5 1HE MET 5 8.998 4.260 -0.830 41 HE3 MET 5 2HE MET 5 10.364 5.375 -0.809 42 H ILE 6 H ILE 6 15.890 1.138 -0.560 43 HA ILE 6 HA ILE 6 16.393 -1.732 -0.141 44 HB ILE 6 HB ILE 6 18.408 0.507 0.045 45 HG12 ILE 6 1HG1 ILE 6 17.545 0.348 -2.243 46 HG13 ILE 6 2HG1 ILE 6 19.203 -0.238 -2.161 47 HG21 ILE 6 1HG2 ILE 6 19.433 -1.167 1.178 48 HG22 ILE 6 2HG2 ILE 6 18.487 -2.429 0.391 49 HG23 ILE 6 3HG2 ILE 6 19.846 -1.688 -0.456 50 HD11 ILE 6 3HD1 ILE 6 17.908 -1.674 -3.578 51 HD12 ILE 6 1HD1 ILE 6 18.342 -2.547 -2.108 52 HD13 ILE 6 2HD1 ILE 6 16.709 -1.911 -2.306 53 H VAL 7 H VAL 7 16.524 -2.542 1.868 54 HA VAL 7 HA VAL 7 16.169 -0.669 4.105 55 HB VAL 7 HB VAL 7 14.392 -2.271 3.997 56 HG11 VAL 7 1HG1 VAL 7 14.831 -4.705 4.127 57 HG12 VAL 7 2HG1 VAL 7 15.424 -3.973 2.635 58 HG13 VAL 7 3HG1 VAL 7 16.551 -4.375 3.930 59 HG21 VAL 7 3HG2 VAL 7 15.736 -3.672 6.143 60 HG22 VAL 7 1HG2 VAL 7 16.034 -1.936 6.210 61 HG23 VAL 7 2HG2 VAL 7 14.380 -2.546 6.209 62 H LYS 8 H LYS 8 17.681 -0.452 5.632 63 HA LYS 8 HA LYS 8 19.845 -2.446 5.757 64 HB2 LYS 8 1HB LYS 8 20.284 0.511 6.152 65 HB3 LYS 8 2HB LYS 8 21.498 -0.748 5.962 66 HG2 LYS 8 1HG LYS 8 20.743 -1.081 3.638 67 HG3 LYS 8 2HG LYS 8 19.606 0.254 3.843 68 HD2 LYS 8 1HD LYS 8 21.345 1.407 2.931 69 HD3 LYS 8 2HD LYS 8 21.818 1.502 4.629 70 HE2 LYS 8 1HE LYS 8 23.404 -0.224 4.386 71 HE3 LYS 8 2HE LYS 8 22.745 -0.718 2.827 72 HZ1 LYS 8 3HZ LYS 8 24.336 1.697 3.452 73 HZ2 LYS 8 1HZ LYS 8 23.439 1.558 2.024 74 HZ3 LYS 8 2HZ LYS 8 24.690 0.466 2.347 75 H TRP 9 H TRP 9 18.025 -2.993 7.457 76 HA TRP 9 HA TRP 9 17.790 -1.523 9.821 77 HB2 TRP 9 1HB TRP 9 16.304 -3.398 9.218 78 HB3 TRP 9 2HB TRP 9 17.633 -4.526 9.475 79 HD1 TRP 9 HD1 TRP 9 16.414 -1.636 11.765 80 HE1 TRP 9 HE1 TRP 9 15.923 -2.627 14.090 81 HE3 TRP 9 HE3 TRP 9 17.343 -6.561 10.760 82 HZ2 TRP 9 HZ2 TRP 9 15.929 -5.161 15.333 83 HZ3 TRP 9 HZ3 TRP 9 17.078 -8.205 12.572 84 HH2 TRP 9 HH2 TRP 9 16.386 -7.517 14.810 85 H GLY 10 H GLY 10 18.800 -1.690 11.843 86 HA2 GLY 10 1HA GLY 10 21.558 -1.810 11.891 87 HA3 GLY 10 2HA GLY 10 20.540 -2.003 13.310 88 H GLY 11 H GLY 11 19.282 -4.436 12.100 89 HA2 GLY 11 1HA GLY 11 21.345 -6.297 13.003 90 HA3 GLY 11 2HA GLY 11 19.641 -6.663 12.777 91 H GLN 12 H GLN 12 19.129 -5.989 10.229 92 HA GLN 12 HA GLN 12 21.113 -7.442 8.617 93 HB2 GLN 12 1HB GLN 12 18.143 -7.794 8.254 94 HB3 GLN 12 2HB GLN 12 19.443 -8.750 7.554 95 HG2 GLN 12 1HG GLN 12 18.582 -8.689 10.435 96 HG3 GLN 12 2HG GLN 12 18.389 -10.014 9.288 97 HE21 GLN 12 2HE2 GLN 12 19.874 -9.590 11.920 98 HE22 GLN 12 1HE2 GLN 12 21.451 -10.218 11.603 99 H GLU 13 H GLU 13 21.087 -6.958 6.355 100 HA GLU 13 HA GLU 13 19.723 -4.433 5.691 101 HB2 GLU 13 1HB GLU 13 22.036 -3.899 6.023 102 HB3 GLU 13 2HB GLU 13 22.552 -5.271 5.053 103 HG2 GLU 13 1HG GLU 13 20.814 -3.429 3.614 104 HG3 GLU 13 2HG GLU 13 22.310 -2.690 4.181 105 H TYR 14 H TYR 14 18.068 -5.400 4.551 106 HA TYR 14 HA TYR 14 18.796 -7.116 2.287 107 HB2 TYR 14 1HB TYR 14 16.709 -7.243 4.150 108 HB3 TYR 14 2HB TYR 14 15.948 -6.731 2.647 109 HD1 TYR 14 HD1 TYR 14 18.461 -9.245 3.817 110 HD2 TYR 14 HD2 TYR 14 15.189 -8.387 1.236 111 HE1 TYR 14 HE1 TYR 14 18.487 -11.572 3.020 112 HE2 TYR 14 HE2 TYR 14 15.205 -10.712 0.433 113 HH TYR 14 HH TYR 14 16.258 -12.671 0.487 114 H SER 15 H SER 15 16.678 -6.705 0.608 115 HA SER 15 HA SER 15 16.623 -3.853 -0.025 116 HB2 SER 15 1HB SER 15 17.213 -4.330 -2.401 117 HB3 SER 15 2HB SER 15 18.537 -4.653 -1.282 118 HG SER 15 HG SER 15 16.829 -6.513 -2.560 119 H VAL 16 H VAL 16 14.480 -3.546 0.100 120 HA VAL 16 HA VAL 16 12.626 -5.518 -0.946 121 HB VAL 16 HB VAL 16 10.873 -3.921 -0.153 122 HG11 VAL 16 1HG1 VAL 16 12.527 -5.620 1.304 123 HG12 VAL 16 2HG1 VAL 16 12.403 -4.158 2.285 124 HG13 VAL 16 3HG1 VAL 16 10.943 -5.012 1.785 125 HG21 VAL 16 3HG2 VAL 16 12.235 -1.871 -0.395 126 HG22 VAL 16 1HG2 VAL 16 11.506 -2.024 1.204 127 HG23 VAL 16 2HG2 VAL 16 13.216 -2.390 0.976 128 H THR 17 H THR 17 14.023 -4.781 -3.056 129 HA THR 17 HA THR 17 12.988 -2.480 -4.409 130 HB THR 17 HB THR 17 15.235 -3.316 -4.911 131 HG1 THR 17 HG1 THR 17 14.564 -2.247 -6.653 132 HG21 THR 17 3HG2 THR 17 14.148 -5.808 -4.827 133 HG22 THR 17 1HG2 THR 17 15.718 -5.429 -5.534 134 HG23 THR 17 2HG2 THR 17 14.293 -5.555 -6.567 135 H THR 18 H THR 18 12.044 -2.758 -6.671 136 HA THR 18 HA THR 18 9.633 -4.320 -6.423 137 HB THR 18 HB THR 18 9.205 -3.336 -8.775 138 HG1 THR 18 HG1 THR 18 10.573 -1.254 -8.809 139 HG21 THR 18 3HG2 THR 18 9.067 -0.937 -7.539 140 HG22 THR 18 1HG2 THR 18 9.235 -2.002 -6.144 141 HG23 THR 18 2HG2 THR 18 7.907 -2.239 -7.281 142 H LEU 19 H LEU 19 12.698 -4.993 -7.500 143 HA LEU 19 HA LEU 19 13.603 -6.756 -8.617 144 HB2 LEU 19 1HB LEU 19 10.907 -7.948 -9.074 145 HB3 LEU 19 2HB LEU 19 12.442 -8.746 -8.737 146 HG LEU 19 HG LEU 19 10.643 -7.331 -6.775 147 HD11 LEU 19 1HD1 LEU 19 10.009 -9.369 -6.046 148 HD12 LEU 19 2HD1 LEU 19 11.581 -10.098 -6.374 149 HD13 LEU 19 3HD1 LEU 19 10.434 -9.847 -7.690 150 HD21 LEU 19 3HD2 LEU 19 13.509 -7.991 -6.651 151 HD22 LEU 19 1HD2 LEU 19 12.550 -8.494 -5.259 152 HD23 LEU 19 2HD2 LEU 19 12.575 -6.799 -5.747 153 H SER 20 H SER 20 12.978 -8.189 -10.784 154 HA SER 20 HA SER 20 13.058 -6.252 -12.874 155 HB2 SER 20 1HB SER 20 13.482 -8.059 -14.335 156 HB3 SER 20 2HB SER 20 14.218 -8.545 -12.808 157 HG SER 20 HG SER 20 12.530 -9.916 -12.432 158 H GLU 21 H GLU 21 11.628 -6.221 -14.745 159 HA GLU 21 HA GLU 21 8.969 -5.784 -14.094 160 HB2 GLU 21 1HB GLU 21 8.541 -5.786 -16.527 161 HB3 GLU 21 2HB GLU 21 9.961 -4.844 -16.095 162 HG2 GLU 21 1HG GLU 21 11.371 -6.786 -16.726 163 HG3 GLU 21 2HG GLU 21 9.915 -7.605 -17.288 164 H ASP 22 H ASP 22 10.503 -8.674 -15.433 165 HA ASP 22 HA ASP 22 8.169 -10.158 -15.907 166 HB2 ASP 22 1HB ASP 22 10.907 -11.202 -15.151 167 HB3 ASP 22 2HB ASP 22 9.625 -12.119 -15.938 168 H ASP 23 H ASP 23 10.022 -9.589 -13.000 169 HA ASP 23 HA ASP 23 8.571 -11.597 -11.491 170 HB2 ASP 23 1HB ASP 23 10.640 -9.556 -10.654 171 HB3 ASP 23 2HB ASP 23 9.926 -10.750 -9.572 172 H THR 24 H THR 24 8.051 -10.552 -9.104 173 HA THR 24 HA THR 24 6.567 -8.070 -9.388 174 HB THR 24 HB THR 24 4.589 -9.437 -8.204 175 HG1 THR 24 HG1 THR 24 5.673 -11.288 -10.083 176 HG21 THR 24 3HG2 THR 24 4.940 -9.392 -11.201 177 HG22 THR 24 1HG2 THR 24 4.479 -7.990 -10.238 178 HG23 THR 24 2HG2 THR 24 3.422 -9.400 -10.305 179 H VAL 25 H VAL 25 5.330 -7.668 -7.209 180 HA VAL 25 HA VAL 25 7.297 -7.619 -5.162 181 HB VAL 25 HB VAL 25 4.353 -6.954 -5.091 182 HG11 VAL 25 1HG1 VAL 25 6.359 -7.105 -2.945 183 HG12 VAL 25 2HG1 VAL 25 5.407 -5.620 -2.989 184 HG13 VAL 25 3HG1 VAL 25 4.600 -7.184 -2.864 185 HG21 VAL 25 3HG2 VAL 25 5.597 -4.618 -4.756 186 HG22 VAL 25 1HG2 VAL 25 6.838 -5.456 -5.687 187 HG23 VAL 25 2HG2 VAL 25 5.214 -5.268 -6.349 188 H LEU 26 H LEU 26 4.723 -9.797 -5.960 189 HA LEU 26 HA LEU 26 4.256 -11.004 -3.489 190 HB2 LEU 26 1HB LEU 26 3.411 -12.893 -4.730 191 HB3 LEU 26 2HB LEU 26 2.895 -11.389 -5.490 192 HG LEU 26 HG LEU 26 5.081 -11.889 -6.958 193 HD11 LEU 26 1HD1 LEU 26 5.856 -13.959 -6.814 194 HD12 LEU 26 2HD1 LEU 26 4.249 -14.613 -7.129 195 HD13 LEU 26 3HD1 LEU 26 4.749 -14.262 -5.474 196 HD21 LEU 26 3HD2 LEU 26 2.289 -12.956 -7.317 197 HD22 LEU 26 1HD2 LEU 26 3.516 -12.996 -8.584 198 HD23 LEU 26 2HD2 LEU 26 2.964 -11.450 -7.940 199 H ASP 27 H ASP 27 6.756 -11.610 -5.903 200 HA ASP 27 HA ASP 27 7.837 -13.942 -4.780 201 HB2 ASP 27 1HB ASP 27 8.786 -11.858 -6.675 202 HB3 ASP 27 2HB ASP 27 10.013 -12.879 -5.929 203 H LEU 28 H LEU 28 8.897 -10.557 -4.415 204 HA LEU 28 HA LEU 28 10.878 -11.122 -2.480 205 HB2 LEU 28 1HB LEU 28 11.288 -8.894 -2.473 206 HB3 LEU 28 2HB LEU 28 10.375 -8.997 -3.977 207 HG LEU 28 HG LEU 28 8.352 -8.474 -2.328 208 HD11 LEU 28 1HD1 LEU 28 8.850 -7.496 -0.374 209 HD12 LEU 28 2HD1 LEU 28 10.247 -6.648 -1.036 210 HD13 LEU 28 3HD1 LEU 28 10.393 -8.334 -0.541 211 HD21 LEU 28 3HD2 LEU 28 9.895 -7.057 -4.197 212 HD22 LEU 28 1HD2 LEU 28 9.669 -5.976 -2.822 213 HD23 LEU 28 2HD2 LEU 28 8.268 -6.679 -3.630 214 H LYS 29 H LYS 29 7.453 -10.641 -2.289 215 HA LYS 29 HA LYS 29 7.208 -9.890 0.403 216 HB2 LYS 29 1HB LYS 29 5.353 -9.774 -1.202 217 HB3 LYS 29 2HB LYS 29 5.313 -11.530 -1.289 218 HG2 LYS 29 1HG LYS 29 3.647 -11.225 0.209 219 HG3 LYS 29 2HG LYS 29 5.005 -11.265 1.336 220 HD2 LYS 29 1HD LYS 29 4.026 -9.345 2.060 221 HD3 LYS 29 2HD LYS 29 5.020 -8.658 0.772 222 HE2 LYS 29 1HE LYS 29 2.264 -9.627 0.153 223 HE3 LYS 29 2HE LYS 29 2.477 -8.067 0.947 224 HZ1 LYS 29 3HZ LYS 29 4.276 -8.041 -1.109 225 HZ2 LYS 29 1HZ LYS 29 2.781 -7.250 -1.081 226 HZ3 LYS 29 2HZ LYS 29 2.912 -8.783 -1.781 227 H GLN 30 H GLN 30 7.193 -13.106 -1.108 228 HA GLN 30 HA GLN 30 6.939 -14.491 1.377 229 HB2 GLN 30 1HB GLN 30 6.871 -16.418 0.132 230 HB3 GLN 30 2HB GLN 30 6.401 -15.248 -1.094 231 HG2 GLN 30 1HG GLN 30 8.728 -15.175 -1.885 232 HG3 GLN 30 2HG GLN 30 9.151 -16.401 -0.691 233 HE21 GLN 30 2HE2 GLN 30 9.816 -17.838 -2.287 234 HE22 GLN 30 1HE2 GLN 30 8.691 -18.672 -3.298 235 H PHE 31 H PHE 31 9.599 -13.369 -0.576 236 HA PHE 31 HA PHE 31 11.634 -14.962 0.566 237 HB2 PHE 31 1HB PHE 31 11.483 -12.592 -1.171 238 HB3 PHE 31 2HB PHE 31 12.937 -12.678 -0.182 239 HD1 PHE 31 HD2 PHE 31 10.876 -15.140 -2.092 240 HD2 PHE 31 HD1 PHE 31 14.734 -13.518 -1.316 241 HE1 PHE 31 HE2 PHE 31 11.862 -16.729 -3.690 242 HE2 PHE 31 HE1 PHE 31 15.726 -15.104 -2.914 243 HZ PHE 31 HZ PHE 31 14.290 -16.713 -4.103 244 H LEU 32 H LEU 32 10.267 -11.831 1.432 245 HA LEU 32 HA LEU 32 12.162 -11.354 3.537 246 HB2 LEU 32 1HB LEU 32 9.539 -10.037 2.858 247 HB3 LEU 32 2HB LEU 32 10.627 -9.487 4.130 248 HG LEU 32 HG LEU 32 11.112 -9.460 1.157 249 HD11 LEU 32 1HD1 LEU 32 10.957 -7.171 1.278 250 HD12 LEU 32 2HD1 LEU 32 11.340 -7.125 2.998 251 HD13 LEU 32 3HD1 LEU 32 9.747 -7.659 2.464 252 HD21 LEU 32 3HD2 LEU 32 13.000 -9.240 3.452 253 HD22 LEU 32 1HD2 LEU 32 13.261 -8.232 2.028 254 HD23 LEU 32 2HD2 LEU 32 13.226 -9.989 1.870 255 H LYS 33 H LYS 33 8.992 -12.791 3.254 256 HA LYS 33 HA LYS 33 8.379 -12.801 6.034 257 HB2 LYS 33 1HB LYS 33 6.479 -13.063 4.754 258 HB3 LYS 33 2HB LYS 33 7.275 -14.122 3.597 259 HG2 LYS 33 1HG LYS 33 6.938 -15.140 6.357 260 HG3 LYS 33 2HG LYS 33 5.491 -15.001 5.355 261 HD2 LYS 33 1HD LYS 33 7.194 -16.168 3.609 262 HD3 LYS 33 2HD LYS 33 7.788 -16.834 5.132 263 HE2 LYS 33 1HE LYS 33 5.587 -17.673 5.667 264 HE3 LYS 33 2HE LYS 33 4.910 -16.905 4.232 265 HZ1 LYS 33 3HZ LYS 33 6.558 -19.314 4.448 266 HZ2 LYS 33 1HZ LYS 33 6.729 -18.361 3.060 267 HZ3 LYS 33 2HZ LYS 33 5.218 -19.008 3.461 268 H THR 34 H THR 34 10.068 -14.989 3.880 269 HA THR 34 HA THR 34 10.282 -17.042 5.927 270 HB THR 34 HB THR 34 9.963 -17.645 3.523 271 HG1 THR 34 HG1 THR 34 11.169 -18.941 5.229 272 HG21 THR 34 3HG2 THR 34 11.443 -15.873 2.602 273 HG22 THR 34 1HG2 THR 34 11.814 -17.481 1.982 274 HG23 THR 34 2HG2 THR 34 12.834 -16.759 3.226 275 H LEU 35 H LEU 35 12.155 -14.448 4.583 276 HA LEU 35 HA LEU 35 14.656 -15.380 5.695 277 HB2 LEU 35 1HB LEU 35 14.668 -14.139 3.614 278 HB3 LEU 35 2HB LEU 35 13.884 -12.769 4.400 279 HG LEU 35 HG LEU 35 16.431 -12.693 3.914 280 HD11 LEU 35 1HD1 LEU 35 14.935 -11.174 5.375 281 HD12 LEU 35 2HD1 LEU 35 16.684 -11.108 5.582 282 HD13 LEU 35 3HD1 LEU 35 15.694 -12.008 6.731 283 HD21 LEU 35 3HD2 LEU 35 16.696 -13.934 6.605 284 HD22 LEU 35 1HD2 LEU 35 17.878 -13.789 5.304 285 HD23 LEU 35 2HD2 LEU 35 16.589 -14.989 5.196 286 H THR 36 H THR 36 12.347 -12.762 6.343 287 HA THR 36 HA THR 36 13.754 -12.093 8.810 288 HB THR 36 HB THR 36 12.538 -10.107 8.891 289 HG1 THR 36 HG1 THR 36 10.464 -10.157 8.515 290 HG21 THR 36 3HG2 THR 36 12.600 -9.151 6.636 291 HG22 THR 36 1HG2 THR 36 12.723 -10.770 5.949 292 HG23 THR 36 2HG2 THR 36 14.029 -10.135 6.950 293 H GLY 37 H GLY 37 10.609 -13.303 7.720 294 HA2 GLY 37 1HA GLY 37 8.899 -14.335 8.854 295 HA3 GLY 37 2HA GLY 37 10.168 -14.973 9.890 296 H VAL 38 H VAL 38 9.757 -11.547 9.682 297 HA VAL 38 HA VAL 38 8.480 -11.562 12.341 298 HB VAL 38 HB VAL 38 10.423 -9.491 11.313 299 HG11 VAL 38 1HG1 VAL 38 8.807 -9.803 13.783 300 HG12 VAL 38 2HG1 VAL 38 10.435 -9.141 13.943 301 HG13 VAL 38 3HG1 VAL 38 9.256 -8.345 12.899 302 HG21 VAL 38 3HG2 VAL 38 11.478 -10.870 13.535 303 HG22 VAL 38 1HG2 VAL 38 10.919 -12.091 12.391 304 HG23 VAL 38 2HG2 VAL 38 12.077 -10.864 11.876 305 H LEU 39 H LEU 39 8.414 -10.392 9.119 306 HA LEU 39 HA LEU 39 7.026 -8.006 9.330 307 HB2 LEU 39 1HB LEU 39 6.372 -10.019 7.211 308 HB3 LEU 39 2HB LEU 39 6.436 -8.262 7.086 309 HG LEU 39 HG LEU 39 8.754 -10.182 7.220 310 HD11 LEU 39 1HD1 LEU 39 7.315 -8.834 5.102 311 HD12 LEU 39 2HD1 LEU 39 8.520 -10.119 5.011 312 HD13 LEU 39 3HD1 LEU 39 9.033 -8.434 5.090 313 HD21 LEU 39 3HD2 LEU 39 8.796 -7.165 7.263 314 HD22 LEU 39 1HD2 LEU 39 10.203 -8.218 7.116 315 HD23 LEU 39 2HD2 LEU 39 9.246 -8.228 8.598 316 HA PRO 40 HA PRO 40 2.927 -10.606 9.309 317 HB2 PRO 40 1HB PRO 40 3.161 -13.210 10.039 318 HB3 PRO 40 2HB PRO 40 3.273 -12.669 8.360 319 HG2 PRO 40 1HG PRO 40 5.466 -13.333 10.287 320 HG3 PRO 40 2HG PRO 40 5.316 -13.760 8.572 321 HD2 PRO 40 1HD PRO 40 6.870 -11.717 9.435 322 HD3 PRO 40 2HD PRO 40 6.043 -11.690 7.864 323 H GLU 41 H GLU 41 5.413 -10.554 11.598 324 HA GLU 41 HA GLU 41 3.592 -11.144 13.824 325 HB2 GLU 41 1HB GLU 41 6.599 -10.865 13.731 326 HB3 GLU 41 2HB GLU 41 5.679 -11.112 15.208 327 HG2 GLU 41 1HG GLU 41 4.785 -13.221 14.145 328 HG3 GLU 41 2HG GLU 41 6.009 -12.997 12.896 329 H ARG 42 H ARG 42 6.297 -8.866 13.374 330 HA ARG 42 HA ARG 42 4.556 -6.635 14.060 331 HB2 ARG 42 1HB ARG 42 7.084 -7.132 15.634 332 HB3 ARG 42 2HB ARG 42 5.887 -5.872 15.902 333 HG2 ARG 42 1HG ARG 42 4.242 -7.573 16.528 334 HG3 ARG 42 2HG ARG 42 5.457 -8.828 16.278 335 HD2 ARG 42 1HD ARG 42 5.575 -8.492 18.559 336 HD3 ARG 42 2HD ARG 42 6.860 -7.440 17.966 337 HE ARG 42 HE ARG 42 5.658 -5.618 18.673 338 HH11 ARG 42 1HH1 ARG 42 3.617 -8.438 18.705 339 HH12 ARG 42 2HH1 ARG 42 2.319 -7.649 19.537 340 HH21 ARG 42 1HH2 ARG 42 3.956 -4.568 19.769 341 HH22 ARG 42 2HH2 ARG 42 2.512 -5.447 20.141 342 H GLN 43 H GLN 43 5.099 -4.831 12.986 343 HA GLN 43 HA GLN 43 7.798 -4.645 11.836 344 HB2 GLN 43 1HB GLN 43 5.461 -3.627 10.280 345 HB3 GLN 43 2HB GLN 43 7.032 -4.172 9.708 346 HG2 GLN 43 1HG GLN 43 5.845 -5.955 9.033 347 HG3 GLN 43 2HG GLN 43 6.104 -6.478 10.696 348 HE21 GLN 43 2HE2 GLN 43 3.828 -5.025 8.473 349 HE22 GLN 43 1HE2 GLN 43 2.409 -5.371 9.396 350 H LYS 44 H LYS 44 8.718 -2.647 11.839 351 HA LYS 44 HA LYS 44 7.076 -0.360 12.659 352 HB2 LYS 44 1HB LYS 44 9.754 -0.998 13.903 353 HB3 LYS 44 2HB LYS 44 8.677 0.326 14.329 354 HG2 LYS 44 1HG LYS 44 7.100 -1.143 15.298 355 HG3 LYS 44 2HG LYS 44 7.900 -2.562 14.617 356 HD2 LYS 44 1HD LYS 44 8.619 -2.591 16.820 357 HD3 LYS 44 2HD LYS 44 9.944 -1.761 15.999 358 HE2 LYS 44 1HE LYS 44 9.504 -0.500 17.942 359 HE3 LYS 44 2HE LYS 44 8.784 0.405 16.612 360 HZ1 LYS 44 3HZ LYS 44 6.993 0.428 17.932 361 HZ2 LYS 44 1HZ LYS 44 7.516 -0.881 18.867 362 HZ3 LYS 44 2HZ LYS 44 6.744 -1.154 17.387 363 H LEU 45 H LEU 45 7.605 -0.469 10.136 364 HA LEU 45 HA LEU 45 10.178 0.720 9.505 365 HB2 LEU 45 1HB LEU 45 7.887 0.302 7.608 366 HB3 LEU 45 2HB LEU 45 9.604 0.444 7.234 367 HG LEU 45 HG LEU 45 9.660 -1.780 8.736 368 HD11 LEU 45 1HD1 LEU 45 7.601 -3.056 7.622 369 HD12 LEU 45 2HD1 LEU 45 6.872 -1.461 7.800 370 HD13 LEU 45 3HD1 LEU 45 7.508 -2.301 9.214 371 HD21 LEU 45 3HD2 LEU 45 10.302 -2.764 6.819 372 HD22 LEU 45 1HD2 LEU 45 10.145 -1.140 6.151 373 HD23 LEU 45 2HD2 LEU 45 8.830 -2.300 5.965 374 H LEU 46 H LEU 46 9.985 2.579 7.775 375 HA LEU 46 HA LEU 46 8.764 4.787 9.147 376 HB2 LEU 46 1HB LEU 46 9.654 6.026 7.057 377 HB3 LEU 46 2HB LEU 46 10.792 5.377 8.236 378 HG LEU 46 HG LEU 46 11.307 3.521 6.787 379 HD11 LEU 46 1HD1 LEU 46 8.998 4.565 5.211 380 HD12 LEU 46 2HD1 LEU 46 9.385 2.910 5.679 381 HD13 LEU 46 3HD1 LEU 46 10.299 3.698 4.393 382 HD21 LEU 46 3HD2 LEU 46 12.786 5.112 6.160 383 HD22 LEU 46 1HD2 LEU 46 11.529 6.302 5.819 384 HD23 LEU 46 2HD2 LEU 46 11.882 5.032 4.647 385 H GLY 47 H GLY 47 7.662 2.566 6.900 386 HA2 GLY 47 1HA GLY 47 5.112 3.498 6.653 387 HA3 GLY 47 2HA GLY 47 5.976 4.313 5.358 388 H LEU 48 H LEU 48 7.763 2.230 4.685 389 HA LEU 48 HA LEU 48 6.164 0.752 2.894 390 HB2 LEU 48 1HB LEU 48 8.525 1.319 2.499 391 HB3 LEU 48 2HB LEU 48 8.993 0.214 3.790 392 HG LEU 48 HG LEU 48 9.248 -0.576 1.366 393 HD11 LEU 48 1HD1 LEU 48 8.596 -1.909 3.767 394 HD12 LEU 48 2HD1 LEU 48 9.475 -2.536 2.372 395 HD13 LEU 48 3HD1 LEU 48 7.723 -2.718 2.465 396 HD21 LEU 48 3HD2 LEU 48 6.710 0.215 1.052 397 HD22 LEU 48 1HD2 LEU 48 6.433 -1.470 1.490 398 HD23 LEU 48 2HD2 LEU 48 7.441 -1.076 0.097 399 H LYS 49 H LYS 49 5.256 -1.220 3.009 400 HA LYS 49 HA LYS 49 4.481 -3.178 3.867 401 HB2 LYS 49 1HB LYS 49 7.282 -3.045 4.771 402 HB3 LYS 49 2HB LYS 49 6.255 -4.118 5.712 403 HG2 LYS 49 1HG LYS 49 6.441 -4.244 2.716 404 HG3 LYS 49 2HG LYS 49 7.490 -5.171 3.791 405 HD2 LYS 49 1HD LYS 49 5.779 -6.524 4.515 406 HD3 LYS 49 2HD LYS 49 4.539 -5.309 4.194 407 HE2 LYS 49 1HE LYS 49 6.020 -6.344 1.853 408 HE3 LYS 49 2HE LYS 49 4.924 -7.471 2.652 409 HZ1 LYS 49 3HZ LYS 49 3.156 -6.408 1.850 410 HZ2 LYS 49 1HZ LYS 49 4.218 -5.624 0.793 411 HZ3 LYS 49 2HZ LYS 49 3.765 -4.880 2.242 412 H VAL 50 H VAL 50 2.848 -1.794 4.895 413 HA VAL 50 HA VAL 50 3.179 -1.311 7.747 414 HB VAL 50 HB VAL 50 0.900 -0.307 7.594 415 HG11 VAL 50 1HG1 VAL 50 3.325 0.711 6.769 416 HG12 VAL 50 2HG1 VAL 50 2.232 1.134 5.450 417 HG13 VAL 50 3HG1 VAL 50 1.865 1.643 7.098 418 HG21 VAL 50 3HG2 VAL 50 -0.263 -0.108 5.580 419 HG22 VAL 50 1HG2 VAL 50 1.147 -0.545 4.615 420 HG23 VAL 50 2HG2 VAL 50 0.314 -1.775 5.566 421 H LYS 51 H LYS 51 1.253 -1.877 9.166 422 HA LYS 51 HA LYS 51 0.603 -4.699 8.718 423 HB2 LYS 51 1HB LYS 51 1.727 -4.085 10.833 424 HB3 LYS 51 2HB LYS 51 0.373 -3.038 11.235 425 HG2 LYS 51 1HG LYS 51 -1.115 -4.971 11.287 426 HG3 LYS 51 2HG LYS 51 0.239 -6.025 10.872 427 HD2 LYS 51 1HD LYS 51 -0.047 -6.177 13.223 428 HD3 LYS 51 2HD LYS 51 1.386 -5.182 12.952 429 HE2 LYS 51 1HE LYS 51 -0.051 -3.164 13.217 430 HE3 LYS 51 2HE LYS 51 -1.389 -4.228 13.650 431 HZ1 LYS 51 3HZ LYS 51 0.028 -5.072 15.487 432 HZ2 LYS 51 1HZ LYS 51 -0.389 -3.440 15.642 433 HZ3 LYS 51 2HZ LYS 51 1.162 -3.871 15.123 434 H GLY 52 H GLY 52 -1.514 -5.495 8.958 435 HA2 GLY 52 1HA GLY 52 -3.829 -5.405 9.020 436 HA3 GLY 52 2HA GLY 52 -3.719 -3.693 9.403 437 H LYS 53 H LYS 53 -1.827 -4.282 6.742 438 HA LYS 53 HA LYS 53 -3.650 -4.508 4.636 439 HB2 LYS 53 1HB LYS 53 -3.523 -2.054 3.884 440 HB3 LYS 53 2HB LYS 53 -4.660 -2.460 5.162 441 HG2 LYS 53 1HG LYS 53 -3.187 -1.584 6.836 442 HG3 LYS 53 2HG LYS 53 -1.911 -1.333 5.643 443 HD2 LYS 53 1HD LYS 53 -3.242 0.339 4.514 444 HD3 LYS 53 2HD LYS 53 -4.606 0.026 5.591 445 HE2 LYS 53 1HE LYS 53 -3.167 0.731 7.500 446 HE3 LYS 53 2HE LYS 53 -1.924 1.187 6.336 447 HZ1 LYS 53 3HZ LYS 53 -4.580 2.406 6.761 448 HZ2 LYS 53 1HZ LYS 53 -3.741 2.625 5.308 449 HZ3 LYS 53 2HZ LYS 53 -3.061 3.151 6.765 450 HA PRO 54 HA PRO 54 0.889 -4.677 3.667 451 HB2 PRO 54 1HB PRO 54 0.787 -7.132 2.511 452 HB3 PRO 54 2HB PRO 54 1.006 -6.896 4.250 453 HG2 PRO 54 1HG PRO 54 -1.483 -7.563 2.727 454 HG3 PRO 54 2HG PRO 54 -0.894 -8.237 4.258 455 HD2 PRO 54 1HD PRO 54 -2.825 -6.342 4.147 456 HD3 PRO 54 2HD PRO 54 -1.666 -6.447 5.487 457 H ALA 55 H ALA 55 1.875 -4.485 1.636 458 HA ALA 55 HA ALA 55 0.475 -3.235 -0.381 459 HB1 ALA 55 1HB ALA 55 3.000 -4.850 -0.713 460 HB2 ALA 55 2HB ALA 55 2.418 -3.579 -1.789 461 HB3 ALA 55 3HB ALA 55 2.922 -3.182 -0.146 462 H GLU 56 H GLU 56 0.331 -4.035 -2.708 463 HA GLU 56 HA GLU 56 -1.069 -6.608 -2.678 464 HB2 GLU 56 1HB GLU 56 -2.122 -4.420 -3.537 465 HB3 GLU 56 2HB GLU 56 -1.088 -4.630 -4.944 466 HG2 GLU 56 1HG GLU 56 -2.222 -6.492 -5.672 467 HG3 GLU 56 2HG GLU 56 -2.842 -6.874 -4.067 468 H ASN 57 H ASN 57 -0.727 -8.163 -4.332 469 HA ASN 57 HA ASN 57 2.012 -8.527 -5.008 470 HB2 ASN 57 1HB ASN 57 1.221 -10.555 -6.183 471 HB3 ASN 57 2HB ASN 57 0.578 -10.442 -4.548 472 HD21 ASN 57 2HD2 ASN 57 -0.163 -10.963 -7.747 473 HD22 ASN 57 1HD2 ASN 57 -1.876 -10.760 -7.663 474 H ASP 58 H ASP 58 -0.795 -7.328 -6.713 475 HA ASP 58 HA ASP 58 0.047 -7.515 -9.347 476 HB2 ASP 58 1HB ASP 58 -2.194 -6.672 -8.403 477 HB3 ASP 58 2HB ASP 58 -1.409 -5.099 -8.293 478 H VAL 59 H VAL 59 1.131 -5.399 -6.818 479 HA VAL 59 HA VAL 59 2.263 -3.323 -8.287 480 HB VAL 59 HB VAL 59 3.366 -4.529 -5.746 481 HG11 VAL 59 1HG1 VAL 59 3.795 -1.819 -5.675 482 HG12 VAL 59 2HG1 VAL 59 4.998 -3.040 -6.094 483 HG13 VAL 59 3HG1 VAL 59 4.095 -2.217 -7.366 484 HG21 VAL 59 3HG2 VAL 59 2.014 -2.806 -4.602 485 HG22 VAL 59 1HG2 VAL 59 1.282 -2.386 -6.151 486 HG23 VAL 59 2HG2 VAL 59 1.025 -3.988 -5.460 487 H LYS 60 H LYS 60 4.303 -2.959 -9.147 488 HA LYS 60 HA LYS 60 6.382 -4.910 -9.080 489 HB2 LYS 60 1HB LYS 60 6.316 -5.223 -11.639 490 HB3 LYS 60 2HB LYS 60 5.208 -6.173 -10.657 491 HG2 LYS 60 1HG LYS 60 3.402 -5.223 -11.565 492 HG3 LYS 60 2HG LYS 60 4.111 -3.607 -11.524 493 HD2 LYS 60 1HD LYS 60 4.999 -3.795 -13.616 494 HD3 LYS 60 2HD LYS 60 5.222 -5.541 -13.482 495 HE2 LYS 60 1HE LYS 60 3.511 -5.348 -15.040 496 HE3 LYS 60 2HE LYS 60 2.645 -5.647 -13.534 497 HZ1 LYS 60 3HZ LYS 60 1.977 -3.703 -15.157 498 HZ2 LYS 60 1HZ LYS 60 3.154 -2.866 -14.276 499 HZ3 LYS 60 2HZ LYS 60 1.825 -3.546 -13.480 500 H LEU 61 H LEU 61 8.080 -4.309 -10.879 501 HA LEU 61 HA LEU 61 8.854 -1.640 -10.397 502 HB2 LEU 61 1HB LEU 61 10.588 -3.156 -10.785 503 HB3 LEU 61 2HB LEU 61 9.827 -3.790 -12.243 504 HG LEU 61 HG LEU 61 10.342 -1.648 -13.385 505 HD11 LEU 61 1HD1 LEU 61 11.020 0.139 -12.265 506 HD12 LEU 61 2HD1 LEU 61 12.399 -0.747 -11.615 507 HD13 LEU 61 3HD1 LEU 61 10.855 -0.771 -10.763 508 HD21 LEU 61 3HD2 LEU 61 12.819 -2.038 -13.486 509 HD22 LEU 61 1HD2 LEU 61 11.825 -3.470 -13.757 510 HD23 LEU 61 2HD2 LEU 61 12.616 -3.228 -12.199 511 H GLY 62 H GLY 62 7.305 -3.218 -13.150 512 HA2 GLY 62 1HA GLY 62 7.424 -0.922 -14.851 513 HA3 GLY 62 2HA GLY 62 6.449 -2.361 -15.112 514 H ALA 63 H ALA 63 5.621 -1.521 -12.116 515 HA ALA 63 HA ALA 63 3.244 -0.103 -13.041 516 HB1 ALA 63 1HB ALA 63 2.387 -0.577 -10.751 517 HB2 ALA 63 2HB ALA 63 2.817 -2.020 -11.671 518 HB3 ALA 63 3HB ALA 63 3.898 -1.423 -10.412 519 H LEU 64 H LEU 64 5.558 0.191 -10.337 520 HA LEU 64 HA LEU 64 4.795 2.962 -9.944 521 HB2 LEU 64 1HB LEU 64 6.960 1.414 -8.539 522 HB3 LEU 64 2HB LEU 64 6.195 2.910 -8.007 523 HG LEU 64 HG LEU 64 4.395 0.596 -8.352 524 HD11 LEU 64 1HD1 LEU 64 6.177 -0.622 -7.384 525 HD12 LEU 64 2HD1 LEU 64 5.060 -0.247 -6.073 526 HD13 LEU 64 3HD1 LEU 64 6.549 0.680 -6.254 527 HD21 LEU 64 3HD2 LEU 64 4.750 2.889 -6.457 528 HD22 LEU 64 1HD2 LEU 64 3.702 1.529 -6.050 529 HD23 LEU 64 2HD2 LEU 64 3.373 2.496 -7.489 530 H LYS 65 H LYS 65 7.663 1.127 -10.925 531 HA LYS 65 HA LYS 65 9.530 1.717 -12.082 532 HB2 LYS 65 1HB LYS 65 8.140 4.252 -12.914 533 HB3 LYS 65 2HB LYS 65 9.332 3.313 -13.804 534 HG2 LYS 65 1HG LYS 65 7.266 1.530 -13.459 535 HG3 LYS 65 2HG LYS 65 6.438 3.066 -13.727 536 HD2 LYS 65 1HD LYS 65 8.702 2.248 -15.505 537 HD3 LYS 65 2HD LYS 65 7.087 1.582 -15.762 538 HE2 LYS 65 1HE LYS 65 6.884 3.414 -17.078 539 HE3 LYS 65 2HE LYS 65 6.450 4.168 -15.545 540 HZ1 LYS 65 3HZ LYS 65 8.308 5.389 -15.535 541 HZ2 LYS 65 1HZ LYS 65 8.382 5.049 -17.191 542 HZ3 LYS 65 2HZ LYS 65 9.283 4.126 -16.096 543 H LEU 66 H LEU 66 9.282 2.507 -9.337 544 HA LEU 66 HA LEU 66 10.422 5.156 -9.114 545 HB2 LEU 66 1HB LEU 66 9.282 3.163 -7.324 546 HB3 LEU 66 2HB LEU 66 10.720 3.936 -6.659 547 HG LEU 66 HG LEU 66 8.675 5.746 -7.786 548 HD11 LEU 66 1HD1 LEU 66 8.180 4.572 -5.077 549 HD12 LEU 66 2HD1 LEU 66 7.468 3.855 -6.522 550 HD13 LEU 66 3HD1 LEU 66 7.100 5.526 -6.094 551 HD21 LEU 66 3HD2 LEU 66 9.419 7.189 -6.122 552 HD22 LEU 66 1HD2 LEU 66 10.877 6.300 -6.563 553 HD23 LEU 66 2HD2 LEU 66 9.992 5.872 -5.098 554 H LYS 67 H LYS 67 12.343 5.145 -7.345 555 HA LYS 67 HA LYS 67 14.410 3.328 -8.402 556 HB2 LYS 67 1HB LYS 67 16.039 5.159 -8.036 557 HB3 LYS 67 2HB LYS 67 14.812 5.567 -9.228 558 HG2 LYS 67 1HG LYS 67 14.274 6.360 -6.431 559 HG3 LYS 67 2HG LYS 67 15.552 7.228 -7.285 560 HD2 LYS 67 1HD LYS 67 12.885 6.811 -8.580 561 HD3 LYS 67 2HD LYS 67 13.108 8.105 -7.400 562 HE2 LYS 67 1HE LYS 67 15.189 8.693 -8.850 563 HE3 LYS 67 2HE LYS 67 14.365 7.749 -10.090 564 HZ1 LYS 67 3HZ LYS 67 13.882 10.163 -10.164 565 HZ2 LYS 67 1HZ LYS 67 13.128 10.033 -8.655 566 HZ3 LYS 67 2HZ LYS 67 12.499 9.206 -9.989 567 HA PRO 68 HA PRO 68 15.316 2.072 -4.296 568 HB2 PRO 68 1HB PRO 68 18.002 1.698 -4.421 569 HB3 PRO 68 2HB PRO 68 16.844 0.612 -5.198 570 HG2 PRO 68 1HG PRO 68 18.455 2.833 -6.395 571 HG3 PRO 68 2HG PRO 68 18.134 1.212 -7.038 572 HD2 PRO 68 1HD PRO 68 16.789 3.406 -7.880 573 HD3 PRO 68 2HD PRO 68 16.043 1.797 -7.812 574 H ASN 69 H ASN 69 16.691 4.937 -5.591 575 HA ASN 69 HA ASN 69 18.337 5.832 -3.547 576 HB2 ASN 69 1HB ASN 69 18.024 6.943 -5.765 577 HB3 ASN 69 2HB ASN 69 16.473 7.551 -5.196 578 HD21 ASN 69 2HD2 ASN 69 19.913 7.817 -4.975 579 HD22 ASN 69 1HD2 ASN 69 19.950 9.282 -4.061 580 H THR 70 H THR 70 14.903 5.506 -3.630 581 HA THR 70 HA THR 70 13.997 7.357 -1.817 582 HB THR 70 HB THR 70 12.487 5.267 -1.053 583 HG1 THR 70 HG1 THR 70 14.042 4.006 -2.544 584 HG21 THR 70 3HG2 THR 70 12.332 6.726 -3.692 585 HG22 THR 70 1HG2 THR 70 11.620 7.233 -2.160 586 HG23 THR 70 2HG2 THR 70 11.013 5.795 -2.982 587 H LYS 71 H LYS 71 15.553 4.250 -1.139 588 HA LYS 71 HA LYS 71 16.546 3.417 0.729 589 HB2 LYS 71 1HB LYS 71 16.778 6.347 1.047 590 HB3 LYS 71 2HB LYS 71 16.984 5.404 2.517 591 HG2 LYS 71 1HG LYS 71 18.488 4.680 0.038 592 HG3 LYS 71 2HG LYS 71 19.050 5.987 1.082 593 HD2 LYS 71 1HD LYS 71 18.400 3.259 2.162 594 HD3 LYS 71 2HD LYS 71 19.993 3.649 1.508 595 HE2 LYS 71 1HE LYS 71 18.612 5.091 3.770 596 HE3 LYS 71 2HE LYS 71 19.915 3.916 3.943 597 HZ1 LYS 71 3HZ LYS 71 20.894 6.041 4.057 598 HZ2 LYS 71 1HZ LYS 71 20.052 6.602 2.701 599 HZ3 LYS 71 2HZ LYS 71 21.274 5.447 2.519 600 H ILE 72 H ILE 72 15.266 2.133 1.885 601 HA ILE 72 HA ILE 72 13.116 3.344 3.486 602 HB ILE 72 HB ILE 72 12.334 1.671 1.897 603 HG12 ILE 72 1HG1 ILE 72 11.557 1.868 4.437 604 HG13 ILE 72 2HG1 ILE 72 10.869 0.668 3.349 605 HG21 ILE 72 1HG2 ILE 72 14.198 0.289 1.531 606 HG22 ILE 72 2HG2 ILE 72 14.366 -0.079 3.247 607 HG23 ILE 72 3HG2 ILE 72 13.013 -0.743 2.332 608 HD11 ILE 72 3HD1 ILE 72 11.702 0.019 5.745 609 HD12 ILE 72 1HD1 ILE 72 11.928 -1.069 4.376 610 HD13 ILE 72 2HD1 ILE 72 13.268 -0.068 4.937 611 H MET 73 H MET 73 12.898 2.882 5.659 612 HA MET 73 HA MET 73 15.143 1.433 6.902 613 HB2 MET 73 1HB MET 73 13.911 4.069 7.598 614 HB3 MET 73 2HB MET 73 14.596 3.077 8.879 615 HG2 MET 73 1HG MET 73 16.653 2.994 7.229 616 HG3 MET 73 2HG MET 73 15.939 4.496 6.648 617 HE1 MET 73 3HE MET 73 18.461 5.319 7.309 618 HE2 MET 73 1HE MET 73 19.015 5.491 8.975 619 HE3 MET 73 2HE MET 73 18.910 3.890 8.242 620 H MET 74 H MET 74 14.484 -0.335 7.917 621 HA MET 74 HA MET 74 11.768 -0.371 9.058 622 HB2 MET 74 1HB MET 74 11.462 -2.530 8.367 623 HB3 MET 74 2HB MET 74 12.552 -1.983 7.100 624 HG2 MET 74 1HG MET 74 14.444 -2.923 8.404 625 HG3 MET 74 2HG MET 74 13.272 -3.583 9.542 626 HE1 MET 74 3HE MET 74 11.004 -4.616 6.671 627 HE2 MET 74 1HE MET 74 11.263 -6.059 7.651 628 HE3 MET 74 2HE MET 74 11.081 -4.486 8.428 629 H MET 75 H MET 75 11.459 -1.277 11.099 630 HA MET 75 HA MET 75 13.852 -2.054 12.599 631 HB2 MET 75 1HB MET 75 13.260 0.414 12.923 632 HB3 MET 75 2HB MET 75 11.825 -0.155 13.766 633 HG2 MET 75 1HG MET 75 14.394 -1.297 14.652 634 HG3 MET 75 2HG MET 75 14.141 0.415 14.982 635 HE1 MET 75 3HE MET 75 12.605 0.728 17.892 636 HE2 MET 75 1HE MET 75 13.768 -0.546 18.256 637 HE3 MET 75 2HE MET 75 14.149 0.674 17.041 638 H GLY 76 H GLY 76 13.453 -3.380 14.419 639 HA2 GLY 76 1HA GLY 76 12.252 -4.834 15.761 640 HA3 GLY 76 2HA GLY 76 10.769 -4.142 15.122 641 H THR 77 H THR 77 13.502 -5.859 13.614 642 HA THR 77 HA THR 77 11.544 -7.757 12.491 643 HB THR 77 HB THR 77 13.481 -8.059 10.725 644 HG1 THR 77 HG1 THR 77 14.397 -5.887 10.358 645 HG21 THR 77 3HG2 THR 77 12.033 -7.086 9.316 646 HG22 THR 77 1HG2 THR 77 12.138 -5.534 10.145 647 HG23 THR 77 2HG2 THR 77 11.044 -6.780 10.743 648 H ARG 78 H ARG 78 12.157 -8.698 14.743 649 HA ARG 78 HA ARG 78 13.930 -10.907 14.240 650 HB2 ARG 78 1HB ARG 78 15.308 -10.499 16.288 651 HB3 ARG 78 2HB ARG 78 15.597 -9.354 14.986 652 HG2 ARG 78 1HG ARG 78 15.336 -7.759 16.507 653 HG3 ARG 78 2HG ARG 78 13.615 -8.147 16.476 654 HD2 ARG 78 1HD ARG 78 14.012 -9.817 18.266 655 HD3 ARG 78 2HD ARG 78 15.693 -9.290 18.338 656 HE ARG 78 HE ARG 78 13.389 -7.915 19.394 657 HH11 ARG 78 1HH1 ARG 78 16.695 -7.626 18.344 658 HH12 ARG 78 2HH1 ARG 78 17.002 -6.195 19.271 659 HH21 ARG 78 1HH2 ARG 78 13.780 -6.031 20.619 660 HH22 ARG 78 2HH2 ARG 78 15.343 -5.289 20.565 661 H GLU 79 H GLU 79 14.009 -12.383 16.215 662 HA GLU 79 HA GLU 79 11.357 -12.352 17.491 663 HB2 GLU 79 1HB GLU 79 11.997 -14.265 15.928 664 HB3 GLU 79 2HB GLU 79 13.137 -14.763 17.171 665 HG2 GLU 79 1HG GLU 79 10.234 -14.371 17.789 666 HG3 GLU 79 2HG GLU 79 10.838 -15.881 17.109 667 H GLU 80 H GLU 80 11.425 -11.673 19.525 668 HA GLU 80 HA GLU 80 13.847 -11.920 21.097 669 HB2 GLU 80 1HB GLU 80 12.493 -9.846 21.143 670 HB3 GLU 80 2HB GLU 80 11.163 -10.751 21.852 671 HG2 GLU 80 1HG GLU 80 12.867 -11.359 23.694 672 HG3 GLU 80 2HG GLU 80 13.784 -9.990 23.065 673 H SER 81 H SER 81 14.242 -13.838 21.994 674 HA SER 81 HA SER 81 12.082 -15.578 22.827 675 HB2 SER 81 1HB SER 81 15.005 -16.104 23.313 676 HB3 SER 81 2HB SER 81 13.702 -17.265 23.059 677 HG SER 81 HG SER 81 15.236 -15.902 21.225 Start of MODEL 12 1 H1 MET 1 H MET 1 0.575 0.180 -0.680 2 HA MET 1 HA MET 1 1.412 -1.536 -2.904 3 HB2 MET 1 1HB MET 1 2.141 0.506 -4.001 4 HB3 MET 1 2HB MET 1 0.476 0.676 -3.461 5 HG2 MET 1 1HG MET 1 1.456 1.815 -1.394 6 HG3 MET 1 2HG MET 1 2.950 1.921 -2.323 7 HE1 MET 1 3HE MET 1 2.320 4.550 -1.444 8 HE2 MET 1 1HE MET 1 1.054 5.505 -2.217 9 HE3 MET 1 2HE MET 1 0.624 4.224 -1.084 10 H ALA 2 H ALA 2 3.483 -2.169 -3.198 11 HA ALA 2 HA ALA 2 5.368 -1.559 -1.040 12 HB1 ALA 2 1HB ALA 2 5.750 -3.743 -1.133 13 HB2 ALA 2 2HB ALA 2 4.773 -3.902 -2.594 14 HB3 ALA 2 3HB ALA 2 6.486 -3.500 -2.718 15 H LEU 3 H LEU 3 6.790 0.007 -1.386 16 HA LEU 3 HA LEU 3 7.496 0.762 -4.112 17 HB2 LEU 3 1HB LEU 3 8.403 2.079 -1.566 18 HB3 LEU 3 2HB LEU 3 8.384 2.759 -3.192 19 HG LEU 3 HG LEU 3 6.596 3.829 -2.226 20 HD11 LEU 3 1HD1 LEU 3 6.000 2.274 -4.238 21 HD12 LEU 3 2HD1 LEU 3 4.728 3.122 -3.360 22 HD13 LEU 3 3HD1 LEU 3 5.039 1.418 -3.033 23 HD21 LEU 3 3HD2 LEU 3 5.055 1.815 -0.941 24 HD22 LEU 3 1HD2 LEU 3 5.845 3.222 -0.231 25 HD23 LEU 3 2HD2 LEU 3 6.719 1.696 -0.367 26 HA PRO 4 HA PRO 4 11.400 -1.264 -4.093 27 HB2 PRO 4 1HB PRO 4 12.740 0.318 -5.847 28 HB3 PRO 4 2HB PRO 4 11.480 -0.818 -6.346 29 HG2 PRO 4 1HG PRO 4 11.298 2.137 -5.900 30 HG3 PRO 4 2HG PRO 4 10.609 1.158 -7.209 31 HD2 PRO 4 1HD PRO 4 9.143 2.006 -5.096 32 HD3 PRO 4 2HD PRO 4 8.826 0.467 -5.922 33 H MET 5 H MET 5 12.301 -0.994 -2.077 34 HA MET 5 HA MET 5 14.183 1.233 -1.822 35 HB2 MET 5 1HB MET 5 12.938 0.531 0.726 36 HB3 MET 5 2HB MET 5 13.273 2.113 0.037 37 HG2 MET 5 1HG MET 5 11.247 1.709 -1.451 38 HG3 MET 5 2HG MET 5 10.867 0.374 -0.366 39 HE1 MET 5 3HE MET 5 10.289 4.717 -0.077 40 HE2 MET 5 1HE MET 5 10.430 3.576 -1.415 41 HE3 MET 5 2HE MET 5 8.918 3.695 -0.514 42 H ILE 6 H ILE 6 15.671 0.840 0.120 43 HA ILE 6 HA ILE 6 16.341 -2.028 0.207 44 HB ILE 6 HB ILE 6 18.299 0.207 0.684 45 HG12 ILE 6 1HG1 ILE 6 17.375 0.490 -1.568 46 HG13 ILE 6 2HG1 ILE 6 19.040 -0.077 -1.645 47 HG21 ILE 6 1HG2 ILE 6 18.390 -2.647 0.825 48 HG22 ILE 6 2HG2 ILE 6 19.488 -2.085 -0.435 49 HG23 ILE 6 3HG2 ILE 6 19.648 -1.474 1.212 50 HD11 ILE 6 3HD1 ILE 6 18.455 -1.901 -2.760 51 HD12 ILE 6 1HD1 ILE 6 17.149 -2.267 -1.633 52 HD13 ILE 6 2HD1 ILE 6 16.874 -1.147 -2.969 53 H VAL 7 H VAL 7 16.667 -3.007 2.138 54 HA VAL 7 HA VAL 7 16.060 -1.422 4.530 55 HB VAL 7 HB VAL 7 16.121 -4.429 4.250 56 HG11 VAL 7 1HG1 VAL 7 14.710 -4.272 6.339 57 HG12 VAL 7 2HG1 VAL 7 16.410 -3.840 6.526 58 HG13 VAL 7 3HG1 VAL 7 15.183 -2.576 6.428 59 HG21 VAL 7 3HG2 VAL 7 13.771 -4.407 3.977 60 HG22 VAL 7 1HG2 VAL 7 13.673 -2.683 4.339 61 HG23 VAL 7 2HG2 VAL 7 14.405 -3.227 2.829 62 H LYS 8 H LYS 8 17.520 -1.075 6.087 63 HA LYS 8 HA LYS 8 19.875 -2.774 6.306 64 HB2 LYS 8 1HB LYS 8 20.208 0.215 6.087 65 HB3 LYS 8 2HB LYS 8 21.466 -1.014 6.108 66 HG2 LYS 8 1HG LYS 8 20.527 -1.855 3.931 67 HG3 LYS 8 2HG LYS 8 19.519 -0.406 3.901 68 HD2 LYS 8 1HD LYS 8 21.378 0.202 2.636 69 HD3 LYS 8 2HD LYS 8 21.732 0.875 4.228 70 HE2 LYS 8 1HE LYS 8 22.974 -1.326 4.663 71 HE3 LYS 8 2HE LYS 8 22.884 -1.569 2.920 72 HZ1 LYS 8 3HZ LYS 8 23.909 0.749 2.782 73 HZ2 LYS 8 1HZ LYS 8 24.917 -0.528 3.248 74 HZ3 LYS 8 2HZ LYS 8 24.312 0.540 4.412 75 H TRP 9 H TRP 9 18.550 -3.264 8.241 76 HA TRP 9 HA TRP 9 18.526 -1.201 10.297 77 HB2 TRP 9 1HB TRP 9 16.582 -2.781 9.891 78 HB3 TRP 9 2HB TRP 9 17.591 -4.060 10.561 79 HD1 TRP 9 HD1 TRP 9 16.773 -4.536 12.933 80 HE1 TRP 9 HE1 TRP 9 16.084 -3.121 14.970 81 HE3 TRP 9 HE3 TRP 9 17.136 0.118 10.850 82 HZ2 TRP 9 HZ2 TRP 9 15.740 -0.394 15.609 83 HZ3 TRP 9 HZ3 TRP 9 16.608 2.078 12.241 84 HH2 TRP 9 HH2 TRP 9 15.925 1.825 14.571 85 H GLY 10 H GLY 10 20.919 -2.892 9.165 86 HA2 GLY 10 1HA GLY 10 23.003 -2.954 10.376 87 HA3 GLY 10 2HA GLY 10 22.095 -3.349 11.828 88 H GLY 11 H GLY 11 21.702 -5.452 12.328 89 HA2 GLY 11 1HA GLY 11 23.315 -7.459 11.295 90 HA3 GLY 11 2HA GLY 11 21.852 -7.740 12.228 91 H GLN 12 H GLN 12 20.137 -6.422 10.250 92 HA GLN 12 HA GLN 12 20.214 -8.493 8.156 93 HB2 GLN 12 1HB GLN 12 17.822 -7.183 9.456 94 HB3 GLN 12 2HB GLN 12 17.731 -8.257 8.067 95 HG2 GLN 12 1HG GLN 12 18.747 -8.979 10.807 96 HG3 GLN 12 2HG GLN 12 17.190 -9.433 10.115 97 HE21 GLN 12 2HE2 GLN 12 20.536 -10.127 10.301 98 HE22 GLN 12 1HE2 GLN 12 20.533 -11.529 9.291 99 H GLU 13 H GLU 13 20.393 -7.803 6.130 100 HA GLU 13 HA GLU 13 19.459 -5.107 5.448 101 HB2 GLU 13 1HB GLU 13 21.830 -4.848 5.824 102 HB3 GLU 13 2HB GLU 13 22.186 -6.244 4.816 103 HG2 GLU 13 1HG GLU 13 20.655 -4.172 3.447 104 HG3 GLU 13 2HG GLU 13 22.240 -3.639 4.005 105 H TYR 14 H TYR 14 17.703 -6.059 4.382 106 HA TYR 14 HA TYR 14 18.396 -7.569 1.948 107 HB2 TYR 14 1HB TYR 14 16.409 -8.048 4.006 108 HB3 TYR 14 2HB TYR 14 15.665 -7.932 2.415 109 HD1 TYR 14 HD1 TYR 14 18.871 -9.400 3.670 110 HD2 TYR 14 HD2 TYR 14 15.232 -10.024 1.555 111 HE1 TYR 14 HE1 TYR 14 19.554 -11.713 3.189 112 HE2 TYR 14 HE2 TYR 14 15.904 -12.339 1.070 113 HH TYR 14 HH TYR 14 18.983 -13.648 2.266 114 H SER 15 H SER 15 18.127 -6.486 0.124 115 HA SER 15 HA SER 15 16.869 -3.939 0.029 116 HB2 SER 15 1HB SER 15 17.294 -4.108 -2.434 117 HB3 SER 15 2HB SER 15 18.726 -4.396 -1.446 118 HG SER 15 HG SER 15 18.679 -6.011 -2.941 119 H VAL 16 H VAL 16 14.732 -3.751 0.242 120 HA VAL 16 HA VAL 16 12.939 -5.773 -0.814 121 HB VAL 16 HB VAL 16 12.464 -4.798 1.381 122 HG11 VAL 16 1HG1 VAL 16 13.313 -2.600 1.216 123 HG12 VAL 16 2HG1 VAL 16 12.291 -2.229 -0.174 124 HG13 VAL 16 3HG1 VAL 16 11.570 -2.430 1.423 125 HG21 VAL 16 3HG2 VAL 16 10.233 -3.716 -0.228 126 HG22 VAL 16 1HG2 VAL 16 10.674 -5.399 -0.520 127 HG23 VAL 16 2HG2 VAL 16 10.217 -4.875 1.101 128 H THR 17 H THR 17 14.237 -4.732 -2.919 129 HA THR 17 HA THR 17 12.958 -2.466 -4.081 130 HB THR 17 HB THR 17 15.235 -3.172 -4.730 131 HG1 THR 17 HG1 THR 17 14.935 -2.502 -6.771 132 HG21 THR 17 3HG2 THR 17 14.471 -5.200 -6.634 133 HG22 THR 17 1HG2 THR 17 14.061 -5.696 -4.993 134 HG23 THR 17 2HG2 THR 17 15.719 -5.247 -5.390 135 H THR 18 H THR 18 11.955 -2.708 -6.349 136 HA THR 18 HA THR 18 9.653 -4.439 -6.066 137 HB THR 18 HB THR 18 9.359 -2.116 -6.832 138 HG1 THR 18 HG1 THR 18 7.824 -3.661 -7.498 139 HG21 THR 18 3HG2 THR 18 10.615 -2.932 -9.439 140 HG22 THR 18 1HG2 THR 18 11.542 -2.141 -8.165 141 HG23 THR 18 2HG2 THR 18 10.164 -1.317 -8.895 142 H LEU 19 H LEU 19 12.690 -4.795 -7.355 143 HA LEU 19 HA LEU 19 13.647 -6.419 -8.631 144 HB2 LEU 19 1HB LEU 19 10.968 -7.692 -9.032 145 HB3 LEU 19 2HB LEU 19 12.556 -8.452 -8.958 146 HG LEU 19 HG LEU 19 11.152 -7.223 -6.589 147 HD11 LEU 19 1HD1 LEU 19 10.169 -9.192 -6.101 148 HD12 LEU 19 2HD1 LEU 19 11.483 -10.145 -6.791 149 HD13 LEU 19 3HD1 LEU 19 10.267 -9.426 -7.847 150 HD21 LEU 19 3HD2 LEU 19 12.847 -8.728 -5.404 151 HD22 LEU 19 1HD2 LEU 19 13.448 -7.241 -6.139 152 HD23 LEU 19 2HD2 LEU 19 13.688 -8.787 -6.954 153 H SER 20 H SER 20 12.972 -7.719 -10.889 154 HA SER 20 HA SER 20 12.878 -5.603 -12.808 155 HB2 SER 20 1HB SER 20 14.089 -7.946 -12.892 156 HB3 SER 20 2HB SER 20 12.561 -8.473 -13.598 157 HG SER 20 HG SER 20 13.360 -7.706 -15.380 158 H GLU 21 H GLU 21 11.407 -5.763 -14.752 159 HA GLU 21 HA GLU 21 8.734 -5.462 -13.937 160 HB2 GLU 21 1HB GLU 21 8.252 -5.429 -16.412 161 HB3 GLU 21 2HB GLU 21 9.458 -4.273 -15.865 162 HG2 GLU 21 1HG GLU 21 11.238 -5.650 -16.691 163 HG3 GLU 21 2HG GLU 21 10.108 -6.942 -17.092 164 H ASP 22 H ASP 22 10.456 -8.150 -15.425 165 HA ASP 22 HA ASP 22 8.256 -9.765 -16.052 166 HB2 ASP 22 1HB ASP 22 10.807 -10.028 -16.599 167 HB3 ASP 22 2HB ASP 22 10.833 -10.969 -15.109 168 H ASP 23 H ASP 23 10.010 -9.292 -13.048 169 HA ASP 23 HA ASP 23 8.498 -11.386 -11.708 170 HB2 ASP 23 1HB ASP 23 10.607 -9.479 -10.673 171 HB3 ASP 23 2HB ASP 23 9.864 -10.767 -9.729 172 H THR 24 H THR 24 7.961 -10.519 -9.268 173 HA THR 24 HA THR 24 6.595 -7.957 -9.362 174 HB THR 24 HB THR 24 4.552 -9.414 -8.325 175 HG1 THR 24 HG1 THR 24 5.938 -11.027 -10.180 176 HG21 THR 24 3HG2 THR 24 5.147 -8.115 -10.874 177 HG22 THR 24 1HG2 THR 24 3.710 -8.007 -9.859 178 HG23 THR 24 2HG2 THR 24 3.891 -9.347 -10.992 179 H VAL 25 H VAL 25 5.539 -7.466 -7.226 180 HA VAL 25 HA VAL 25 7.373 -7.746 -5.138 181 HB VAL 25 HB VAL 25 4.446 -7.010 -5.048 182 HG11 VAL 25 1HG1 VAL 25 4.933 -7.724 -2.860 183 HG12 VAL 25 2HG1 VAL 25 6.540 -6.995 -2.892 184 HG13 VAL 25 3HG1 VAL 25 5.106 -5.970 -2.824 185 HG21 VAL 25 3HG2 VAL 25 5.804 -5.468 -6.334 186 HG22 VAL 25 1HG2 VAL 25 5.325 -4.720 -4.811 187 HG23 VAL 25 2HG2 VAL 25 6.962 -5.344 -5.010 188 H LEU 26 H LEU 26 4.787 -9.801 -6.163 189 HA LEU 26 HA LEU 26 4.231 -11.186 -3.803 190 HB2 LEU 26 1HB LEU 26 3.383 -12.954 -5.209 191 HB3 LEU 26 2HB LEU 26 2.910 -11.384 -5.855 192 HG LEU 26 HG LEU 26 5.060 -11.751 -7.352 193 HD11 LEU 26 1HD1 LEU 26 4.914 -14.194 -5.983 194 HD12 LEU 26 2HD1 LEU 26 5.946 -13.782 -7.352 195 HD13 LEU 26 3HD1 LEU 26 4.368 -14.518 -7.629 196 HD21 LEU 26 3HD2 LEU 26 2.327 -12.944 -7.749 197 HD22 LEU 26 1HD2 LEU 26 3.547 -12.888 -9.021 198 HD23 LEU 26 2HD2 LEU 26 2.932 -11.390 -8.323 199 H ASP 27 H ASP 27 6.836 -11.553 -6.128 200 HA ASP 27 HA ASP 27 7.831 -14.024 -5.208 201 HB2 ASP 27 1HB ASP 27 8.407 -12.657 -7.356 202 HB3 ASP 27 2HB ASP 27 9.627 -11.901 -6.335 203 H LEU 28 H LEU 28 9.350 -10.833 -4.726 204 HA LEU 28 HA LEU 28 11.106 -11.563 -2.731 205 HB2 LEU 28 1HB LEU 28 11.440 -9.300 -2.325 206 HB3 LEU 28 2HB LEU 28 10.892 -9.353 -3.999 207 HG LEU 28 HG LEU 28 8.541 -8.911 -2.841 208 HD11 LEU 28 1HD1 LEU 28 9.390 -7.027 -1.073 209 HD12 LEU 28 2HD1 LEU 28 10.532 -8.335 -0.771 210 HD13 LEU 28 3HD1 LEU 28 8.799 -8.630 -0.634 211 HD21 LEU 28 3HD2 LEU 28 10.259 -7.485 -4.388 212 HD22 LEU 28 1HD2 LEU 28 10.136 -6.452 -2.963 213 HD23 LEU 28 2HD2 LEU 28 8.681 -6.910 -3.848 214 H LYS 29 H LYS 29 7.710 -10.708 -2.479 215 HA LYS 29 HA LYS 29 7.484 -10.339 0.264 216 HB2 LYS 29 1HB LYS 29 5.638 -11.193 -1.904 217 HB3 LYS 29 2HB LYS 29 5.120 -11.490 -0.249 218 HG2 LYS 29 1HG LYS 29 5.454 -9.098 0.251 219 HG3 LYS 29 2HG LYS 29 5.872 -8.829 -1.443 220 HD2 LYS 29 1HD LYS 29 3.694 -9.386 -2.169 221 HD3 LYS 29 2HD LYS 29 3.267 -10.078 -0.603 222 HE2 LYS 29 1HE LYS 29 3.990 -7.180 -0.913 223 HE3 LYS 29 2HE LYS 29 2.346 -7.759 -1.177 224 HZ1 LYS 29 3HZ LYS 29 3.601 -8.623 1.292 225 HZ2 LYS 29 1HZ LYS 29 2.021 -8.092 1.008 226 HZ3 LYS 29 2HZ LYS 29 3.271 -6.967 1.189 227 H GLN 30 H GLN 30 7.141 -13.358 -1.592 228 HA GLN 30 HA GLN 30 6.696 -15.028 0.628 229 HB2 GLN 30 1HB GLN 30 7.644 -15.513 -2.178 230 HB3 GLN 30 2HB GLN 30 7.604 -16.827 -1.010 231 HG2 GLN 30 1HG GLN 30 5.163 -15.170 -1.375 232 HG3 GLN 30 2HG GLN 30 5.581 -16.356 -2.611 233 HE21 GLN 30 2HE2 GLN 30 6.479 -18.468 -1.331 234 HE22 GLN 30 1HE2 GLN 30 5.314 -19.099 -0.223 235 H PHE 31 H PHE 31 9.613 -13.795 -0.841 236 HA PHE 31 HA PHE 31 11.401 -15.595 0.467 237 HB2 PHE 31 1HB PHE 31 11.655 -13.132 -1.178 238 HB3 PHE 31 2HB PHE 31 13.009 -13.535 -0.128 239 HD1 PHE 31 HD1 PHE 31 13.592 -16.183 -0.236 240 HD2 PHE 31 HD2 PHE 31 11.818 -13.866 -3.334 241 HE1 PHE 31 HE1 PHE 31 14.408 -17.796 -1.906 242 HE2 PHE 31 HE2 PHE 31 12.630 -15.475 -5.008 243 HZ PHE 31 HZ PHE 31 13.926 -17.444 -4.295 244 H LEU 32 H LEU 32 9.840 -12.632 1.339 245 HA LEU 32 HA LEU 32 11.624 -11.989 3.498 246 HB2 LEU 32 1HB LEU 32 8.909 -10.972 2.698 247 HB3 LEU 32 2HB LEU 32 9.767 -10.390 4.123 248 HG LEU 32 HG LEU 32 10.604 -10.087 1.242 249 HD11 LEU 32 1HD1 LEU 32 10.261 -7.830 3.139 250 HD12 LEU 32 2HD1 LEU 32 8.812 -8.600 2.494 251 HD13 LEU 32 3HD1 LEU 32 10.000 -7.898 1.396 252 HD21 LEU 32 3HD2 LEU 32 12.087 -9.624 3.802 253 HD22 LEU 32 1HD2 LEU 32 12.421 -8.642 2.375 254 HD23 LEU 32 2HD2 LEU 32 12.640 -10.391 2.313 255 H LYS 33 H LYS 33 8.498 -13.585 3.158 256 HA LYS 33 HA LYS 33 8.041 -13.868 5.960 257 HB2 LYS 33 1HB LYS 33 6.266 -15.461 5.260 258 HB3 LYS 33 2HB LYS 33 6.162 -13.904 4.449 259 HG2 LYS 33 1HG LYS 33 7.266 -14.887 2.479 260 HG3 LYS 33 2HG LYS 33 7.275 -16.453 3.294 261 HD2 LYS 33 1HD LYS 33 5.399 -16.288 1.745 262 HD3 LYS 33 2HD LYS 33 4.828 -16.401 3.411 263 HE2 LYS 33 1HE LYS 33 4.258 -14.124 3.483 264 HE3 LYS 33 2HE LYS 33 5.207 -13.755 2.044 265 HZ1 LYS 33 3HZ LYS 33 2.494 -14.582 2.241 266 HZ2 LYS 33 1HZ LYS 33 3.368 -15.630 1.239 267 HZ3 LYS 33 2HZ LYS 33 3.333 -13.973 0.904 268 H THR 34 H THR 34 9.763 -15.689 3.559 269 HA THR 34 HA THR 34 9.982 -18.042 5.251 270 HB THR 34 HB THR 34 11.457 -18.898 3.393 271 HG1 THR 34 HG1 THR 34 12.176 -17.140 2.325 272 HG21 THR 34 3HG2 THR 34 9.479 -19.813 2.889 273 HG22 THR 34 1HG2 THR 34 9.288 -18.512 1.715 274 HG23 THR 34 2HG2 THR 34 8.604 -18.347 3.332 275 H LEU 35 H LEU 35 11.868 -15.255 4.321 276 HA LEU 35 HA LEU 35 14.312 -16.291 5.475 277 HB2 LEU 35 1HB LEU 35 14.479 -14.879 3.533 278 HB3 LEU 35 2HB LEU 35 13.585 -13.594 4.344 279 HG LEU 35 HG LEU 35 15.719 -13.929 6.014 280 HD11 LEU 35 1HD1 LEU 35 17.111 -15.301 4.841 281 HD12 LEU 35 2HD1 LEU 35 17.611 -13.744 4.181 282 HD13 LEU 35 3HD1 LEU 35 16.500 -14.770 3.274 283 HD21 LEU 35 3HD2 LEU 35 16.644 -11.932 4.604 284 HD22 LEU 35 1HD2 LEU 35 15.134 -11.766 5.500 285 HD23 LEU 35 2HD2 LEU 35 15.099 -12.071 3.764 286 H THR 36 H THR 36 11.964 -13.733 6.219 287 HA THR 36 HA THR 36 13.125 -13.537 8.917 288 HB THR 36 HB THR 36 12.489 -11.331 9.054 289 HG1 THR 36 HG1 THR 36 10.703 -10.482 8.025 290 HG21 THR 36 3HG2 THR 36 12.746 -11.697 6.067 291 HG22 THR 36 1HG2 THR 36 14.093 -11.587 7.198 292 HG23 THR 36 2HG2 THR 36 13.023 -10.205 6.964 293 H GLY 37 H GLY 37 10.077 -13.839 7.141 294 HA2 GLY 37 1HA GLY 37 7.975 -14.476 7.821 295 HA3 GLY 37 2HA GLY 37 8.842 -15.587 8.871 296 H VAL 38 H VAL 38 9.149 -12.123 9.181 297 HA VAL 38 HA VAL 38 7.597 -12.263 11.685 298 HB VAL 38 HB VAL 38 10.040 -11.982 12.051 299 HG11 VAL 38 1HG1 VAL 38 10.011 -10.376 9.882 300 HG12 VAL 38 2HG1 VAL 38 9.987 -9.172 11.172 301 HG13 VAL 38 3HG1 VAL 38 11.286 -10.363 11.099 302 HG21 VAL 38 3HG2 VAL 38 7.963 -10.740 13.307 303 HG22 VAL 38 1HG2 VAL 38 9.630 -10.751 13.881 304 HG23 VAL 38 2HG2 VAL 38 9.028 -9.382 12.946 305 H LEU 39 H LEU 39 8.244 -10.541 8.744 306 HA LEU 39 HA LEU 39 7.067 -8.074 9.302 307 HB2 LEU 39 1HB LEU 39 6.775 -9.407 6.638 308 HB3 LEU 39 2HB LEU 39 7.023 -7.700 7.003 309 HG LEU 39 HG LEU 39 9.058 -9.919 7.067 310 HD11 LEU 39 1HD1 LEU 39 10.201 -8.517 5.429 311 HD12 LEU 39 2HD1 LEU 39 8.890 -7.341 5.511 312 HD13 LEU 39 3HD1 LEU 39 8.585 -8.958 4.876 313 HD21 LEU 39 3HD2 LEU 39 9.236 -7.110 8.136 314 HD22 LEU 39 1HD2 LEU 39 10.647 -8.092 7.743 315 HD23 LEU 39 2HD2 LEU 39 9.527 -8.621 8.999 316 HA PRO 40 HA PRO 40 2.910 -10.028 7.736 317 HB2 PRO 40 1HB PRO 40 2.773 -12.739 7.774 318 HB3 PRO 40 2HB PRO 40 3.317 -11.824 6.363 319 HG2 PRO 40 1HG PRO 40 4.939 -13.222 8.455 320 HG3 PRO 40 2HG PRO 40 5.167 -13.194 6.697 321 HD2 PRO 40 1HD PRO 40 6.619 -11.647 8.379 322 HD3 PRO 40 2HD PRO 40 6.190 -11.129 6.736 323 H GLU 41 H GLU 41 4.784 -10.879 10.419 324 HA GLU 41 HA GLU 41 2.435 -11.706 11.977 325 HB2 GLU 41 1HB GLU 41 5.384 -11.907 12.614 326 HB3 GLU 41 2HB GLU 41 4.090 -12.410 13.693 327 HG2 GLU 41 1HG GLU 41 3.342 -13.933 11.778 328 HG3 GLU 41 2HG GLU 41 4.934 -13.621 11.089 329 H ARG 42 H ARG 42 5.407 -9.972 12.874 330 HA ARG 42 HA ARG 42 3.809 -7.687 13.751 331 HB2 ARG 42 1HB ARG 42 5.868 -8.864 15.601 332 HB3 ARG 42 2HB ARG 42 4.615 -7.684 15.963 333 HG2 ARG 42 1HG ARG 42 2.909 -9.419 15.665 334 HG3 ARG 42 2HG ARG 42 4.182 -10.598 15.343 335 HD2 ARG 42 1HD ARG 42 4.073 -8.983 17.877 336 HD3 ARG 42 2HD ARG 42 3.247 -10.532 17.706 337 HE ARG 42 HE ARG 42 5.813 -11.050 16.948 338 HH11 ARG 42 1HH1 ARG 42 4.322 -9.680 19.780 339 HH12 ARG 42 2HH1 ARG 42 5.553 -10.244 20.861 340 HH21 ARG 42 1HH2 ARG 42 7.440 -11.798 18.361 341 HH22 ARG 42 2HH2 ARG 42 7.327 -11.448 20.053 342 H GLN 43 H GLN 43 4.689 -6.041 12.688 343 HA GLN 43 HA GLN 43 7.620 -5.785 12.699 344 HB2 GLN 43 1HB GLN 43 7.684 -5.106 10.454 345 HB3 GLN 43 2HB GLN 43 6.590 -6.483 10.459 346 HG2 GLN 43 1HG GLN 43 5.779 -3.585 10.431 347 HG3 GLN 43 2HG GLN 43 5.753 -4.685 9.055 348 HE21 GLN 43 2HE2 GLN 43 4.081 -3.522 11.767 349 HE22 GLN 43 1HE2 GLN 43 2.705 -4.561 11.665 350 H LYS 44 H LYS 44 8.217 -3.437 11.995 351 HA LYS 44 HA LYS 44 6.312 -1.460 12.971 352 HB2 LYS 44 1HB LYS 44 8.900 -2.149 14.313 353 HB3 LYS 44 2HB LYS 44 8.316 -0.491 14.355 354 HG2 LYS 44 1HG LYS 44 6.270 -1.205 15.433 355 HG3 LYS 44 2HG LYS 44 6.777 -2.892 15.323 356 HD2 LYS 44 1HD LYS 44 7.345 -2.337 17.501 357 HD3 LYS 44 2HD LYS 44 8.865 -2.090 16.636 358 HE2 LYS 44 1HE LYS 44 8.777 -0.139 17.816 359 HE3 LYS 44 2HE LYS 44 7.902 0.355 16.367 360 HZ1 LYS 44 3HZ LYS 44 6.669 1.067 18.253 361 HZ2 LYS 44 1HZ LYS 44 6.739 -0.463 18.971 362 HZ3 LYS 44 2HZ LYS 44 5.822 -0.228 17.569 363 H LEU 45 H LEU 45 7.564 -2.117 10.402 364 HA LEU 45 HA LEU 45 9.662 -0.490 9.663 365 HB2 LEU 45 1HB LEU 45 7.238 -1.439 8.180 366 HB3 LEU 45 2HB LEU 45 8.433 -0.406 7.399 367 HG LEU 45 HG LEU 45 10.031 -2.360 8.371 368 HD11 LEU 45 1HD1 LEU 45 8.479 -4.384 7.402 369 HD12 LEU 45 2HD1 LEU 45 7.312 -3.430 8.317 370 HD13 LEU 45 3HD1 LEU 45 8.761 -4.045 9.110 371 HD21 LEU 45 3HD2 LEU 45 10.406 -2.861 6.182 372 HD22 LEU 45 1HD2 LEU 45 9.500 -1.362 5.973 373 HD23 LEU 45 2HD2 LEU 45 8.688 -2.916 5.783 374 H LEU 46 H LEU 46 9.799 1.581 8.704 375 HA LEU 46 HA LEU 46 7.655 3.405 9.560 376 HB2 LEU 46 1HB LEU 46 9.570 5.129 9.226 377 HB3 LEU 46 2HB LEU 46 9.518 4.135 10.680 378 HG LEU 46 HG LEU 46 11.250 2.692 9.797 379 HD11 LEU 46 1HD1 LEU 46 10.767 4.260 7.318 380 HD12 LEU 46 2HD1 LEU 46 11.055 2.533 7.527 381 HD13 LEU 46 3HD1 LEU 46 12.398 3.671 7.641 382 HD21 LEU 46 3HD2 LEU 46 11.597 5.253 10.685 383 HD22 LEU 46 1HD2 LEU 46 12.526 5.250 9.186 384 HD23 LEU 46 2HD2 LEU 46 12.887 4.073 10.449 385 H GLY 47 H GLY 47 7.618 1.902 7.075 386 HA2 GLY 47 1HA GLY 47 6.870 3.985 5.312 387 HA3 GLY 47 2HA GLY 47 8.445 3.359 4.847 388 H LEU 48 H LEU 48 8.591 1.424 3.807 389 HA LEU 48 HA LEU 48 6.294 0.446 2.492 390 HB2 LEU 48 1HB LEU 48 8.375 0.220 1.399 391 HB3 LEU 48 2HB LEU 48 9.094 -0.604 2.781 392 HG LEU 48 HG LEU 48 6.810 -1.968 1.494 393 HD11 LEU 48 1HD1 LEU 48 8.085 -2.797 -0.355 394 HD12 LEU 48 2HD1 LEU 48 9.512 -1.899 0.163 395 HD13 LEU 48 3HD1 LEU 48 8.090 -1.034 -0.422 396 HD21 LEU 48 3HD2 LEU 48 9.489 -3.129 2.131 397 HD22 LEU 48 1HD2 LEU 48 7.895 -3.881 2.192 398 HD23 LEU 48 2HD2 LEU 48 8.372 -2.724 3.434 399 H LYS 49 H LYS 49 5.263 -1.587 2.658 400 HA LYS 49 HA LYS 49 4.253 -3.305 3.754 401 HB2 LYS 49 1HB LYS 49 7.041 -3.372 4.756 402 HB3 LYS 49 2HB LYS 49 5.854 -4.260 5.702 403 HG2 LYS 49 1HG LYS 49 5.947 -4.659 2.751 404 HG3 LYS 49 2HG LYS 49 7.167 -5.427 3.770 405 HD2 LYS 49 1HD LYS 49 5.029 -6.132 5.165 406 HD3 LYS 49 2HD LYS 49 4.239 -5.920 3.600 407 HE2 LYS 49 1HE LYS 49 6.529 -7.757 4.274 408 HE3 LYS 49 2HE LYS 49 4.896 -8.210 3.790 409 HZ1 LYS 49 3HZ LYS 49 5.330 -7.162 1.624 410 HZ2 LYS 49 1HZ LYS 49 6.382 -8.449 1.939 411 HZ3 LYS 49 2HZ LYS 49 6.925 -6.855 2.098 412 H VAL 50 H VAL 50 2.865 -1.497 4.552 413 HA VAL 50 HA VAL 50 3.219 -0.850 7.377 414 HB VAL 50 HB VAL 50 2.628 1.012 5.962 415 HG11 VAL 50 1HG1 VAL 50 1.562 0.152 4.095 416 HG12 VAL 50 2HG1 VAL 50 0.429 -0.803 5.054 417 HG13 VAL 50 3HG1 VAL 50 0.242 0.948 4.950 418 HG21 VAL 50 3HG2 VAL 50 0.921 1.924 7.258 419 HG22 VAL 50 1HG2 VAL 50 0.094 0.376 7.430 420 HG23 VAL 50 2HG2 VAL 50 1.599 0.674 8.302 421 H LYS 51 H LYS 51 1.783 -1.419 8.980 422 HA LYS 51 HA LYS 51 0.348 -3.856 8.595 423 HB2 LYS 51 1HB LYS 51 -0.088 -3.793 10.929 424 HB3 LYS 51 2HB LYS 51 1.534 -3.148 10.712 425 HG2 LYS 51 1HG LYS 51 0.583 -0.860 10.848 426 HG3 LYS 51 2HG LYS 51 -0.985 -1.581 11.221 427 HD2 LYS 51 1HD LYS 51 -0.094 -2.582 13.229 428 HD3 LYS 51 2HD LYS 51 1.531 -2.019 12.829 429 HE2 LYS 51 1HE LYS 51 0.396 -0.627 14.538 430 HE3 LYS 51 2HE LYS 51 0.859 0.273 13.095 431 HZ1 LYS 51 3HZ LYS 51 -1.495 0.566 14.104 432 HZ2 LYS 51 1HZ LYS 51 -1.844 -0.868 13.277 433 HZ3 LYS 51 2HZ LYS 51 -1.310 0.492 12.425 434 H GLY 52 H GLY 52 -1.912 -4.207 8.955 435 HA2 GLY 52 1HA GLY 52 -4.159 -3.696 8.842 436 HA3 GLY 52 2HA GLY 52 -3.742 -2.011 9.115 437 H LYS 53 H LYS 53 -1.932 -3.164 6.574 438 HA LYS 53 HA LYS 53 -3.705 -3.190 4.419 439 HB2 LYS 53 1HB LYS 53 -3.089 -0.868 3.505 440 HB3 LYS 53 2HB LYS 53 -4.320 -0.956 4.758 441 HG2 LYS 53 1HG LYS 53 -2.983 0.017 6.338 442 HG3 LYS 53 2HG LYS 53 -1.491 -0.533 5.572 443 HD2 LYS 53 1HD LYS 53 -1.535 1.168 3.984 444 HD3 LYS 53 2HD LYS 53 -3.259 1.467 4.212 445 HE2 LYS 53 1HE LYS 53 -2.628 2.199 6.581 446 HE3 LYS 53 2HE LYS 53 -0.967 2.240 5.993 447 HZ1 LYS 53 3HZ LYS 53 -2.103 4.407 5.870 448 HZ2 LYS 53 1HZ LYS 53 -3.214 3.751 4.776 449 HZ3 LYS 53 2HZ LYS 53 -1.579 3.860 4.357 450 HA PRO 54 HA PRO 54 0.737 -4.292 3.641 451 HB2 PRO 54 1HB PRO 54 0.190 -6.754 2.635 452 HB3 PRO 54 2HB PRO 54 0.402 -6.447 4.363 453 HG2 PRO 54 1HG PRO 54 -2.126 -6.723 2.784 454 HG3 PRO 54 2HG PRO 54 -1.723 -7.392 4.376 455 HD2 PRO 54 1HD PRO 54 -3.243 -5.172 4.071 456 HD3 PRO 54 2HD PRO 54 -2.164 -5.407 5.461 457 H ALA 55 H ALA 55 1.797 -4.418 1.646 458 HA ALA 55 HA ALA 55 0.642 -3.104 -0.512 459 HB1 ALA 55 1HB ALA 55 2.603 -4.064 -1.817 460 HB2 ALA 55 2HB ALA 55 2.988 -3.105 -0.386 461 HB3 ALA 55 3HB ALA 55 3.066 -4.866 -0.315 462 H GLU 56 H GLU 56 0.822 -4.222 -2.830 463 HA GLU 56 HA GLU 56 -0.843 -6.650 -2.698 464 HB2 GLU 56 1HB GLU 56 -1.897 -4.477 -3.556 465 HB3 GLU 56 2HB GLU 56 -0.868 -4.670 -4.968 466 HG2 GLU 56 1HG GLU 56 -2.001 -6.524 -5.715 467 HG3 GLU 56 2HG GLU 56 -2.613 -6.928 -4.112 468 H ASN 57 H ASN 57 -0.605 -8.186 -4.424 469 HA ASN 57 HA ASN 57 2.119 -8.665 -5.095 470 HB2 ASN 57 1HB ASN 57 1.158 -10.590 -6.415 471 HB3 ASN 57 2HB ASN 57 0.715 -10.563 -4.711 472 HD21 ASN 57 2HD2 ASN 57 -1.390 -10.264 -4.129 473 HD22 ASN 57 1HD2 ASN 57 -2.694 -10.233 -5.262 474 H ASP 58 H ASP 58 -0.661 -7.411 -6.840 475 HA ASP 58 HA ASP 58 0.255 -7.541 -9.449 476 HB2 ASP 58 1HB ASP 58 -1.997 -6.643 -8.414 477 HB3 ASP 58 2HB ASP 58 -1.183 -5.085 -8.529 478 H VAL 59 H VAL 59 1.257 -5.462 -6.855 479 HA VAL 59 HA VAL 59 2.396 -3.329 -8.193 480 HB VAL 59 HB VAL 59 3.488 -4.723 -5.744 481 HG11 VAL 59 1HG1 VAL 59 3.960 -1.922 -6.761 482 HG12 VAL 59 2HG1 VAL 59 4.567 -2.591 -5.246 483 HG13 VAL 59 3HG1 VAL 59 5.130 -3.240 -6.786 484 HG21 VAL 59 3HG2 VAL 59 1.066 -3.865 -5.750 485 HG22 VAL 59 1HG2 VAL 59 2.124 -3.351 -4.436 486 HG23 VAL 59 2HG2 VAL 59 1.783 -2.254 -5.774 487 H LYS 60 H LYS 60 4.076 -3.069 -9.517 488 HA LYS 60 HA LYS 60 6.295 -4.943 -9.492 489 HB2 LYS 60 1HB LYS 60 6.100 -5.131 -12.049 490 HB3 LYS 60 2HB LYS 60 5.024 -6.117 -11.069 491 HG2 LYS 60 1HG LYS 60 3.376 -5.313 -12.322 492 HG3 LYS 60 2HG LYS 60 3.586 -3.798 -11.441 493 HD2 LYS 60 1HD LYS 60 3.760 -3.056 -13.607 494 HD3 LYS 60 2HD LYS 60 5.456 -3.384 -13.241 495 HE2 LYS 60 1HE LYS 60 5.535 -5.218 -14.596 496 HE3 LYS 60 2HE LYS 60 3.831 -5.603 -14.358 497 HZ1 LYS 60 3HZ LYS 60 4.976 -4.305 -16.519 498 HZ2 LYS 60 1HZ LYS 60 4.085 -3.127 -15.694 499 HZ3 LYS 60 2HZ LYS 60 3.329 -4.545 -16.221 500 H LEU 61 H LEU 61 8.007 -4.234 -11.110 501 HA LEU 61 HA LEU 61 8.842 -1.659 -10.578 502 HB2 LEU 61 1HB LEU 61 10.332 -3.387 -11.401 503 HB3 LEU 61 2HB LEU 61 9.502 -3.391 -12.956 504 HG LEU 61 HG LEU 61 11.782 -2.196 -12.743 505 HD11 LEU 61 1HD1 LEU 61 11.233 -1.306 -14.705 506 HD12 LEU 61 2HD1 LEU 61 10.039 -0.237 -13.970 507 HD13 LEU 61 3HD1 LEU 61 9.593 -1.885 -14.410 508 HD21 LEU 61 3HD2 LEU 61 11.677 0.117 -12.042 509 HD22 LEU 61 1HD2 LEU 61 11.191 -0.933 -10.711 510 HD23 LEU 61 2HD2 LEU 61 9.970 -0.055 -11.633 511 H GLY 62 H GLY 62 7.385 -2.825 -13.623 512 HA2 GLY 62 1HA GLY 62 7.255 -0.370 -14.930 513 HA3 GLY 62 2HA GLY 62 6.176 -1.724 -15.232 514 H ALA 63 H ALA 63 5.413 -1.494 -12.261 515 HA ALA 63 HA ALA 63 3.171 0.270 -12.723 516 HB1 ALA 63 1HB ALA 63 2.946 -1.934 -11.587 517 HB2 ALA 63 2HB ALA 63 3.844 -1.269 -10.222 518 HB3 ALA 63 3HB ALA 63 2.283 -0.581 -10.669 519 H LEU 64 H LEU 64 5.498 -0.003 -10.028 520 HA LEU 64 HA LEU 64 4.968 2.665 -9.143 521 HB2 LEU 64 1HB LEU 64 7.394 1.133 -8.321 522 HB3 LEU 64 2HB LEU 64 6.384 2.221 -7.372 523 HG LEU 64 HG LEU 64 4.788 -0.004 -8.106 524 HD11 LEU 64 1HD1 LEU 64 7.434 -0.797 -8.100 525 HD12 LEU 64 2HD1 LEU 64 6.027 -1.841 -7.898 526 HD13 LEU 64 3HD1 LEU 64 6.866 -1.209 -6.482 527 HD21 LEU 64 3HD2 LEU 64 4.537 -0.248 -5.741 528 HD22 LEU 64 1HD2 LEU 64 4.625 1.476 -6.104 529 HD23 LEU 64 2HD2 LEU 64 6.029 0.643 -5.437 530 H LYS 65 H LYS 65 7.918 1.118 -10.426 531 HA LYS 65 HA LYS 65 9.640 1.931 -11.670 532 HB2 LYS 65 1HB LYS 65 7.855 4.287 -12.287 533 HB3 LYS 65 2HB LYS 65 9.230 3.719 -13.224 534 HG2 LYS 65 1HG LYS 65 8.074 1.884 -14.049 535 HG3 LYS 65 2HG LYS 65 6.863 1.948 -12.766 536 HD2 LYS 65 1HD LYS 65 5.895 2.720 -14.846 537 HD3 LYS 65 2HD LYS 65 6.017 4.065 -13.710 538 HE2 LYS 65 1HE LYS 65 6.706 4.773 -15.924 539 HE3 LYS 65 2HE LYS 65 8.082 4.797 -14.823 540 HZ1 LYS 65 3HZ LYS 65 7.733 2.308 -16.243 541 HZ2 LYS 65 1HZ LYS 65 9.134 3.221 -15.983 542 HZ3 LYS 65 2HZ LYS 65 8.081 3.629 -17.241 543 H LEU 66 H LEU 66 9.447 2.559 -8.877 544 HA LEU 66 HA LEU 66 10.454 5.279 -8.632 545 HB2 LEU 66 1HB LEU 66 9.354 3.248 -6.829 546 HB3 LEU 66 2HB LEU 66 10.698 4.165 -6.152 547 HG LEU 66 HG LEU 66 8.541 5.743 -7.416 548 HD11 LEU 66 1HD1 LEU 66 6.933 5.440 -5.788 549 HD12 LEU 66 2HD1 LEU 66 8.066 4.705 -4.655 550 HD13 LEU 66 3HD1 LEU 66 7.503 3.792 -6.055 551 HD21 LEU 66 3HD2 LEU 66 9.146 6.615 -4.830 552 HD22 LEU 66 1HD2 LEU 66 9.722 7.293 -6.353 553 HD23 LEU 66 2HD2 LEU 66 10.677 6.068 -5.517 554 H LYS 67 H LYS 67 12.323 5.313 -6.808 555 HA LYS 67 HA LYS 67 14.462 3.570 -7.845 556 HB2 LYS 67 1HB LYS 67 16.030 5.353 -7.509 557 HB3 LYS 67 2HB LYS 67 14.674 5.995 -8.426 558 HG2 LYS 67 1HG LYS 67 13.759 6.804 -6.192 559 HG3 LYS 67 2HG LYS 67 15.362 6.453 -5.544 560 HD2 LYS 67 1HD LYS 67 14.837 8.257 -7.904 561 HD3 LYS 67 2HD LYS 67 15.050 8.823 -6.245 562 HE2 LYS 67 1HE LYS 67 17.280 8.511 -6.295 563 HE3 LYS 67 2HE LYS 67 17.152 7.017 -7.220 564 HZ1 LYS 67 3HZ LYS 67 16.460 9.410 -8.686 565 HZ2 LYS 67 1HZ LYS 67 17.420 8.095 -9.148 566 HZ3 LYS 67 2HZ LYS 67 18.079 9.332 -8.201 567 HA PRO 68 HA PRO 68 15.198 2.056 -3.791 568 HB2 PRO 68 1HB PRO 68 17.887 1.685 -3.844 569 HB3 PRO 68 2HB PRO 68 16.757 0.651 -4.726 570 HG2 PRO 68 1HG PRO 68 18.410 2.937 -5.727 571 HG3 PRO 68 2HG PRO 68 18.112 1.358 -6.478 572 HD2 PRO 68 1HD PRO 68 16.797 3.602 -7.233 573 HD3 PRO 68 2HD PRO 68 16.050 1.993 -7.290 574 H ASN 69 H ASN 69 16.518 5.020 -4.842 575 HA ASN 69 HA ASN 69 18.142 5.798 -2.730 576 HB2 ASN 69 1HB ASN 69 17.684 7.031 -4.919 577 HB3 ASN 69 2HB ASN 69 16.239 7.667 -4.139 578 HD21 ASN 69 2HD2 ASN 69 16.885 9.775 -4.127 579 HD22 ASN 69 1HD2 ASN 69 18.193 10.362 -3.163 580 H THR 70 H THR 70 14.718 5.394 -2.853 581 HA THR 70 HA THR 70 13.764 7.079 -0.907 582 HB THR 70 HB THR 70 12.289 4.917 -0.315 583 HG1 THR 70 HG1 THR 70 12.935 4.341 -2.991 584 HG21 THR 70 3HG2 THR 70 11.405 6.940 -1.308 585 HG22 THR 70 1HG2 THR 70 10.823 5.544 -2.215 586 HG23 THR 70 2HG2 THR 70 12.132 6.533 -2.862 587 H LYS 71 H LYS 71 15.318 3.922 -0.453 588 HA LYS 71 HA LYS 71 16.323 2.965 1.349 589 HB2 LYS 71 1HB LYS 71 16.572 5.863 1.854 590 HB3 LYS 71 2HB LYS 71 16.751 4.837 3.271 591 HG2 LYS 71 1HG LYS 71 18.452 3.522 1.938 592 HG3 LYS 71 2HG LYS 71 18.398 4.835 0.760 593 HD2 LYS 71 1HD LYS 71 19.125 5.086 3.679 594 HD3 LYS 71 2HD LYS 71 20.246 5.146 2.317 595 HE2 LYS 71 1HE LYS 71 18.849 7.106 1.475 596 HE3 LYS 71 2HE LYS 71 18.114 7.125 3.078 597 HZ1 LYS 71 3HZ LYS 71 19.949 7.992 3.999 598 HZ2 LYS 71 1HZ LYS 71 20.321 8.482 2.422 599 HZ3 LYS 71 2HZ LYS 71 21.008 7.072 3.054 600 H ILE 72 H ILE 72 15.181 1.620 2.563 601 HA ILE 72 HA ILE 72 12.985 2.711 4.196 602 HB ILE 72 HB ILE 72 12.233 1.122 2.486 603 HG12 ILE 72 1HG1 ILE 72 11.401 1.235 5.017 604 HG13 ILE 72 2HG1 ILE 72 10.717 0.096 3.863 605 HG21 ILE 72 1HG2 ILE 72 14.200 -0.709 3.829 606 HG22 ILE 72 2HG2 ILE 72 12.872 -1.311 2.838 607 HG23 ILE 72 3HG2 ILE 72 14.100 -0.265 2.126 608 HD11 ILE 72 3HD1 ILE 72 11.435 -0.703 6.224 609 HD12 ILE 72 1HD1 ILE 72 11.776 -1.705 4.813 610 HD13 ILE 72 2HD1 ILE 72 13.053 -0.716 5.523 611 H MET 73 H MET 73 12.754 2.053 6.332 612 HA MET 73 HA MET 73 15.053 0.599 7.466 613 HB2 MET 73 1HB MET 73 13.536 2.716 8.970 614 HB3 MET 73 2HB MET 73 15.125 2.048 9.320 615 HG2 MET 73 1HG MET 73 15.979 3.133 7.264 616 HG3 MET 73 2HG MET 73 14.400 3.886 7.054 617 HE1 MET 73 3HE MET 73 17.686 5.742 8.125 618 HE2 MET 73 1HE MET 73 17.872 4.776 9.589 619 HE3 MET 73 2HE MET 73 17.657 3.981 8.030 620 H MET 74 H MET 74 14.506 -1.241 8.420 621 HA MET 74 HA MET 74 11.713 -1.664 9.193 622 HB2 MET 74 1HB MET 74 12.907 -3.282 7.667 623 HB3 MET 74 2HB MET 74 13.919 -3.720 9.037 624 HG2 MET 74 1HG MET 74 11.828 -4.334 10.267 625 HG3 MET 74 2HG MET 74 10.952 -4.098 8.756 626 HE1 MET 74 3HE MET 74 12.282 -4.873 6.626 627 HE2 MET 74 1HE MET 74 13.014 -6.469 6.457 628 HE3 MET 74 2HE MET 74 11.262 -6.311 6.574 629 H MET 75 H MET 75 11.081 -2.058 11.253 630 HA MET 75 HA MET 75 13.138 -2.377 13.317 631 HB2 MET 75 1HB MET 75 12.328 0.058 13.024 632 HB3 MET 75 2HB MET 75 10.824 -0.504 13.742 633 HG2 MET 75 1HG MET 75 11.912 -1.085 15.770 634 HG3 MET 75 2HG MET 75 13.504 -0.840 15.056 635 HE1 MET 75 3HE MET 75 14.388 2.033 16.746 636 HE2 MET 75 1HE MET 75 13.252 1.263 17.854 637 HE3 MET 75 2HE MET 75 14.277 0.273 16.815 638 H GLY 76 H GLY 76 12.151 -2.999 15.454 639 HA2 GLY 76 1HA GLY 76 10.964 -4.572 16.636 640 HA3 GLY 76 2HA GLY 76 9.563 -3.890 15.823 641 H THR 77 H THR 77 12.261 -5.594 14.313 642 HA THR 77 HA THR 77 10.405 -7.777 13.624 643 HB THR 77 HB THR 77 11.781 -7.972 11.473 644 HG1 THR 77 HG1 THR 77 12.444 -5.300 12.224 645 HG21 THR 77 3HG2 THR 77 9.432 -6.778 11.968 646 HG22 THR 77 1HG2 THR 77 10.161 -6.827 10.364 647 HG23 THR 77 2HG2 THR 77 10.338 -5.389 11.370 648 H ARG 78 H ARG 78 11.096 -9.376 14.938 649 HA ARG 78 HA ARG 78 12.425 -10.987 15.839 650 HB2 ARG 78 1HB ARG 78 13.889 -10.418 13.269 651 HB3 ARG 78 2HB ARG 78 14.434 -11.653 14.396 652 HG2 ARG 78 1HG ARG 78 12.056 -12.595 14.205 653 HG3 ARG 78 2HG ARG 78 11.920 -11.569 12.776 654 HD2 ARG 78 1HD ARG 78 12.607 -13.814 12.152 655 HD3 ARG 78 2HD ARG 78 13.894 -12.657 11.816 656 HE ARG 78 HE ARG 78 14.145 -13.908 14.383 657 HH11 ARG 78 1HH1 ARG 78 14.804 -14.239 10.980 658 HH12 ARG 78 2HH1 ARG 78 16.136 -15.324 11.211 659 HH21 ARG 78 1HH2 ARG 78 15.897 -15.335 14.699 660 HH22 ARG 78 2HH2 ARG 78 16.755 -15.947 13.326 661 H GLU 79 H GLU 79 12.817 -8.295 16.724 662 HA GLU 79 HA GLU 79 15.705 -8.231 17.274 663 HB2 GLU 79 1HB GLU 79 14.663 -6.202 16.255 664 HB3 GLU 79 2HB GLU 79 13.672 -6.035 17.697 665 HG2 GLU 79 1HG GLU 79 15.428 -4.551 18.031 666 HG3 GLU 79 2HG GLU 79 15.869 -5.963 18.989 667 H GLU 80 H GLU 80 16.456 -8.587 19.270 668 HA GLU 80 HA GLU 80 14.490 -8.798 21.456 669 HB2 GLU 80 1HB GLU 80 15.561 -10.949 20.703 670 HB3 GLU 80 2HB GLU 80 17.101 -10.299 21.246 671 HG2 GLU 80 1HG GLU 80 15.908 -9.974 23.509 672 HG3 GLU 80 2HG GLU 80 14.724 -11.110 22.864 673 H SER 81 H SER 81 14.665 -7.103 22.761 674 HA SER 81 HA SER 81 17.362 -6.097 23.397 675 HB2 SER 81 1HB SER 81 16.013 -4.455 22.151 676 HB3 SER 81 2HB SER 81 14.752 -4.559 23.380 677 HG SER 81 HG SER 81 15.892 -3.323 24.654 Start of MODEL 13 1 H1 MET 1 H MET 1 1.747 0.989 -0.227 2 HA MET 1 HA MET 1 1.307 -1.787 -0.870 3 HB2 MET 1 1HB MET 1 2.168 -1.172 -3.313 4 HB3 MET 1 2HB MET 1 0.457 -1.231 -2.914 5 HG2 MET 1 1HG MET 1 0.956 0.743 -4.210 6 HG3 MET 1 2HG MET 1 0.452 1.188 -2.581 7 HE1 MET 1 3HE MET 1 2.968 3.984 -3.522 8 HE2 MET 1 1HE MET 1 2.483 3.015 -4.914 9 HE3 MET 1 2HE MET 1 1.300 3.429 -3.673 10 H ALA 2 H ALA 2 3.306 -2.740 -1.917 11 HA ALA 2 HA ALA 2 5.568 -2.105 -0.368 12 HB1 ALA 2 1HB ALA 2 6.600 -3.572 -2.417 13 HB2 ALA 2 2HB ALA 2 5.820 -4.245 -0.985 14 HB3 ALA 2 3HB ALA 2 4.897 -4.028 -2.472 15 H LEU 3 H LEU 3 7.541 -1.161 -0.912 16 HA LEU 3 HA LEU 3 7.583 0.391 -3.412 17 HB2 LEU 3 1HB LEU 3 8.796 1.459 -0.898 18 HB3 LEU 3 2HB LEU 3 8.290 2.326 -2.347 19 HG LEU 3 HG LEU 3 5.894 1.550 -1.563 20 HD11 LEU 3 1HD1 LEU 3 6.930 1.984 1.156 21 HD12 LEU 3 2HD1 LEU 3 7.290 0.413 0.443 22 HD13 LEU 3 3HD1 LEU 3 5.618 0.952 0.588 23 HD21 LEU 3 3HD2 LEU 3 5.553 3.703 -0.875 24 HD22 LEU 3 1HD2 LEU 3 7.103 3.890 -1.696 25 HD23 LEU 3 2HD2 LEU 3 7.047 3.759 0.062 26 HA PRO 4 HA PRO 4 11.526 -1.498 -3.993 27 HB2 PRO 4 1HB PRO 4 12.486 0.184 -5.895 28 HB3 PRO 4 2HB PRO 4 11.244 -1.030 -6.224 29 HG2 PRO 4 1HG PRO 4 10.935 1.902 -5.705 30 HG3 PRO 4 2HG PRO 4 10.128 0.889 -6.916 31 HD2 PRO 4 1HD PRO 4 8.934 1.619 -4.597 32 HD3 PRO 4 2HD PRO 4 8.602 0.068 -5.395 33 H MET 5 H MET 5 12.088 -0.747 -1.747 34 HA MET 5 HA MET 5 14.135 1.367 -1.886 35 HB2 MET 5 1HB MET 5 12.891 0.798 0.740 36 HB3 MET 5 2HB MET 5 13.437 2.325 0.059 37 HG2 MET 5 1HG MET 5 11.443 2.386 -1.367 38 HG3 MET 5 2HG MET 5 10.892 0.880 -0.638 39 HE1 MET 5 3HE MET 5 10.387 0.450 1.520 40 HE2 MET 5 1HE MET 5 10.164 1.559 2.874 41 HE3 MET 5 2HE MET 5 8.885 1.364 1.675 42 H ILE 6 H ILE 6 15.750 1.148 -0.032 43 HA ILE 6 HA ILE 6 16.437 -1.701 0.279 44 HB ILE 6 HB ILE 6 18.220 0.715 0.023 45 HG12 ILE 6 1HG1 ILE 6 19.218 -0.884 -1.763 46 HG13 ILE 6 2HG1 ILE 6 17.698 -1.757 -1.607 47 HG21 ILE 6 1HG2 ILE 6 20.064 -1.079 0.245 48 HG22 ILE 6 2HG2 ILE 6 19.307 -0.452 1.708 49 HG23 ILE 6 3HG2 ILE 6 18.824 -2.023 1.070 50 HD11 ILE 6 3HD1 ILE 6 16.611 -0.268 -2.842 51 HD12 ILE 6 1HD1 ILE 6 17.305 1.093 -1.961 52 HD13 ILE 6 2HD1 ILE 6 18.199 0.355 -3.290 53 H VAL 7 H VAL 7 16.920 -2.493 2.268 54 HA VAL 7 HA VAL 7 16.473 -0.684 4.536 55 HB VAL 7 HB VAL 7 15.089 -2.808 4.237 56 HG11 VAL 7 1HG1 VAL 7 15.992 -4.878 4.496 57 HG12 VAL 7 2HG1 VAL 7 17.400 -4.063 3.813 58 HG13 VAL 7 3HG1 VAL 7 17.280 -4.305 5.556 59 HG21 VAL 7 3HG2 VAL 7 16.520 -2.749 6.870 60 HG22 VAL 7 1HG2 VAL 7 15.481 -1.415 6.367 61 HG23 VAL 7 2HG2 VAL 7 14.812 -3.038 6.540 62 H LYS 8 H LYS 8 17.992 -0.325 6.059 63 HA LYS 8 HA LYS 8 20.447 -1.931 6.012 64 HB2 LYS 8 1HB LYS 8 20.550 1.068 6.254 65 HB3 LYS 8 2HB LYS 8 21.875 -0.049 5.951 66 HG2 LYS 8 1HG LYS 8 21.614 0.725 3.847 67 HG3 LYS 8 2HG LYS 8 20.408 -0.563 3.787 68 HD2 LYS 8 1HD LYS 8 19.220 1.231 2.951 69 HD3 LYS 8 2HD LYS 8 18.794 1.288 4.663 70 HE2 LYS 8 1HE LYS 8 19.308 3.502 4.143 71 HE3 LYS 8 2HE LYS 8 20.782 2.895 4.897 72 HZ1 LYS 8 3HZ LYS 8 21.719 2.546 2.696 73 HZ2 LYS 8 1HZ LYS 8 21.271 4.164 2.905 74 HZ3 LYS 8 2HZ LYS 8 20.306 3.133 1.975 75 H TRP 9 H TRP 9 19.052 -2.715 7.899 76 HA TRP 9 HA TRP 9 19.492 -1.024 10.268 77 HB2 TRP 9 1HB TRP 9 17.133 -1.780 9.687 78 HB3 TRP 9 2HB TRP 9 17.654 -3.412 10.098 79 HD1 TRP 9 HD1 TRP 9 16.691 -3.976 12.396 80 HE1 TRP 9 HE1 TRP 9 16.492 -2.772 14.663 81 HE3 TRP 9 HE3 TRP 9 18.617 0.571 11.073 82 HZ2 TRP 9 HZ2 TRP 9 17.073 -0.232 15.746 83 HZ3 TRP 9 HZ3 TRP 9 18.760 2.334 12.784 84 HH2 TRP 9 HH2 TRP 9 18.003 1.939 15.071 85 H GLY 10 H GLY 10 21.057 -1.597 11.622 86 HA2 GLY 10 1HA GLY 10 22.734 -2.828 12.600 87 HA3 GLY 10 2HA GLY 10 21.530 -4.107 12.668 88 H GLY 11 H GLY 11 22.102 -5.942 11.722 89 HA2 GLY 11 1HA GLY 11 24.264 -5.867 9.733 90 HA3 GLY 11 2HA GLY 11 23.786 -7.272 10.674 91 H GLN 12 H GLN 12 20.999 -5.837 9.680 92 HA GLN 12 HA GLN 12 20.704 -7.765 7.504 93 HB2 GLN 12 1HB GLN 12 18.530 -6.043 8.682 94 HB3 GLN 12 2HB GLN 12 18.357 -7.542 7.777 95 HG2 GLN 12 1HG GLN 12 19.245 -7.145 10.605 96 HG3 GLN 12 2HG GLN 12 17.938 -8.149 9.979 97 HE21 GLN 12 2HE2 GLN 12 21.037 -8.149 11.150 98 HE22 GLN 12 1HE2 GLN 12 21.544 -9.703 10.592 99 H GLU 13 H GLU 13 21.451 -6.954 5.632 100 HA GLU 13 HA GLU 13 20.423 -4.323 4.794 101 HB2 GLU 13 1HB GLU 13 22.960 -4.570 5.261 102 HB3 GLU 13 2HB GLU 13 22.995 -5.475 3.754 103 HG2 GLU 13 1HG GLU 13 21.710 -3.342 2.866 104 HG3 GLU 13 2HG GLU 13 22.538 -2.585 4.225 105 H TYR 14 H TYR 14 18.616 -5.675 3.995 106 HA TYR 14 HA TYR 14 19.270 -7.097 1.506 107 HB2 TYR 14 1HB TYR 14 18.043 -8.570 2.844 108 HB3 TYR 14 2HB TYR 14 16.982 -7.299 3.440 109 HD1 TYR 14 HD1 TYR 14 17.756 -9.415 0.508 110 HD2 TYR 14 HD2 TYR 14 14.968 -6.754 2.309 111 HE1 TYR 14 HE1 TYR 14 16.088 -10.020 -1.195 112 HE2 TYR 14 HE2 TYR 14 13.291 -7.352 0.612 113 HH TYR 14 HH TYR 14 13.316 -8.260 -1.759 114 H SER 15 H SER 15 18.779 -6.199 -0.379 115 HA SER 15 HA SER 15 17.554 -3.629 -0.516 116 HB2 SER 15 1HB SER 15 19.184 -3.982 -2.160 117 HB3 SER 15 2HB SER 15 18.571 -5.587 -2.559 118 HG SER 15 HG SER 15 16.835 -4.647 -3.591 119 H VAL 16 H VAL 16 15.443 -3.377 -0.189 120 HA VAL 16 HA VAL 16 13.559 -5.442 -0.999 121 HB VAL 16 HB VAL 16 12.880 -2.805 0.293 122 HG11 VAL 16 1HG1 VAL 16 11.259 -4.953 1.161 123 HG12 VAL 16 2HG1 VAL 16 10.800 -3.570 0.166 124 HG13 VAL 16 3HG1 VAL 16 11.372 -5.055 -0.595 125 HG21 VAL 16 3HG2 VAL 16 13.667 -5.387 1.642 126 HG22 VAL 16 1HG2 VAL 16 14.571 -3.873 1.668 127 HG23 VAL 16 2HG2 VAL 16 12.996 -3.974 2.457 128 H THR 17 H THR 17 14.756 -4.371 -3.204 129 HA THR 17 HA THR 17 13.323 -2.176 -4.319 130 HB THR 17 HB THR 17 15.595 -2.830 -5.075 131 HG1 THR 17 HG1 THR 17 14.473 -1.569 -6.511 132 HG21 THR 17 3HG2 THR 17 14.345 -5.366 -5.419 133 HG22 THR 17 1HG2 THR 17 16.041 -4.938 -5.639 134 HG23 THR 17 2HG2 THR 17 14.917 -4.810 -6.992 135 H THR 18 H THR 18 12.382 -2.660 -6.683 136 HA THR 18 HA THR 18 10.098 -4.406 -6.205 137 HB THR 18 HB THR 18 9.396 -3.370 -8.505 138 HG1 THR 18 HG1 THR 18 11.701 -2.380 -8.489 139 HG21 THR 18 3HG2 THR 18 9.463 -2.018 -5.830 140 HG22 THR 18 1HG2 THR 18 8.105 -2.780 -6.658 141 HG23 THR 18 2HG2 THR 18 8.720 -1.225 -7.219 142 H LEU 19 H LEU 19 13.093 -4.648 -7.637 143 HA LEU 19 HA LEU 19 14.073 -6.198 -8.982 144 HB2 LEU 19 1HB LEU 19 11.467 -7.694 -8.782 145 HB3 LEU 19 2HB LEU 19 13.041 -8.355 -9.218 146 HG LEU 19 HG LEU 19 13.644 -7.463 -6.780 147 HD11 LEU 19 1HD1 LEU 19 11.535 -8.247 -5.415 148 HD12 LEU 19 2HD1 LEU 19 10.680 -7.691 -6.853 149 HD13 LEU 19 3HD1 LEU 19 11.708 -6.576 -5.953 150 HD21 LEU 19 3HD2 LEU 19 12.923 -9.969 -7.963 151 HD22 LEU 19 1HD2 LEU 19 12.374 -9.921 -6.288 152 HD23 LEU 19 2HD2 LEU 19 14.073 -9.637 -6.667 153 H SER 20 H SER 20 13.302 -7.719 -11.061 154 HA SER 20 HA SER 20 12.771 -5.780 -13.083 155 HB2 SER 20 1HB SER 20 13.209 -8.754 -13.085 156 HB3 SER 20 2HB SER 20 12.695 -7.924 -14.553 157 HG SER 20 HG SER 20 14.646 -7.192 -14.781 158 H GLU 21 H GLU 21 11.058 -5.918 -14.682 159 HA GLU 21 HA GLU 21 8.501 -5.982 -13.529 160 HB2 GLU 21 1HB GLU 21 7.683 -5.825 -15.892 161 HB3 GLU 21 2HB GLU 21 8.880 -4.614 -15.455 162 HG2 GLU 21 1HG GLU 21 10.600 -5.801 -16.623 163 HG3 GLU 21 2HG GLU 21 9.515 -7.156 -16.931 164 H ASP 22 H ASP 22 10.351 -8.408 -15.239 165 HA ASP 22 HA ASP 22 8.354 -10.221 -15.899 166 HB2 ASP 22 1HB ASP 22 11.158 -10.863 -14.960 167 HB3 ASP 22 2HB ASP 22 10.105 -11.931 -15.883 168 H ASP 23 H ASP 23 9.812 -9.510 -12.814 169 HA ASP 23 HA ASP 23 8.377 -11.744 -11.568 170 HB2 ASP 23 1HB ASP 23 10.450 -9.897 -10.365 171 HB3 ASP 23 2HB ASP 23 9.762 -11.328 -9.602 172 H THR 24 H THR 24 7.677 -11.077 -9.192 173 HA THR 24 HA THR 24 6.348 -8.465 -9.236 174 HB THR 24 HB THR 24 4.392 -9.961 -8.091 175 HG1 THR 24 HG1 THR 24 5.797 -11.584 -9.909 176 HG21 THR 24 3HG2 THR 24 4.246 -8.225 -9.910 177 HG22 THR 24 1HG2 THR 24 3.119 -9.571 -10.070 178 HG23 THR 24 2HG2 THR 24 4.572 -9.515 -11.068 179 H VAL 25 H VAL 25 5.109 -8.230 -7.013 180 HA VAL 25 HA VAL 25 7.090 -8.261 -4.994 181 HB VAL 25 HB VAL 25 4.118 -7.758 -4.827 182 HG11 VAL 25 1HG1 VAL 25 5.053 -6.547 -2.642 183 HG12 VAL 25 2HG1 VAL 25 4.476 -8.215 -2.632 184 HG13 VAL 25 3HG1 VAL 25 6.205 -7.879 -2.730 185 HG21 VAL 25 3HG2 VAL 25 6.518 -5.941 -4.956 186 HG22 VAL 25 1HG2 VAL 25 5.216 -6.091 -6.136 187 HG23 VAL 25 2HG2 VAL 25 4.892 -5.392 -4.550 188 H LEU 26 H LEU 26 4.634 -10.514 -5.929 189 HA LEU 26 HA LEU 26 4.236 -11.924 -3.563 190 HB2 LEU 26 1HB LEU 26 3.514 -13.762 -4.931 191 HB3 LEU 26 2HB LEU 26 2.944 -12.249 -5.633 192 HG LEU 26 HG LEU 26 5.180 -12.554 -7.064 193 HD11 LEU 26 1HD1 LEU 26 4.449 -15.355 -7.236 194 HD12 LEU 26 2HD1 LEU 26 5.129 -14.934 -5.664 195 HD13 LEU 26 3HD1 LEU 26 6.042 -14.604 -7.136 196 HD21 LEU 26 3HD2 LEU 26 3.061 -12.221 -8.081 197 HD22 LEU 26 1HD2 LEU 26 2.478 -13.794 -7.537 198 HD23 LEU 26 2HD2 LEU 26 3.733 -13.698 -8.773 199 H ASP 27 H ASP 27 6.782 -12.234 -5.993 200 HA ASP 27 HA ASP 27 8.009 -14.541 -4.959 201 HB2 ASP 27 1HB ASP 27 8.447 -13.527 -7.212 202 HB3 ASP 27 2HB ASP 27 9.382 -12.270 -6.407 203 H LEU 28 H LEU 28 9.346 -11.243 -4.753 204 HA LEU 28 HA LEU 28 11.202 -11.721 -2.777 205 HB2 LEU 28 1HB LEU 28 11.371 -9.405 -2.496 206 HB3 LEU 28 2HB LEU 28 10.859 -9.629 -4.168 207 HG LEU 28 HG LEU 28 8.462 -9.286 -2.980 208 HD11 LEU 28 1HD1 LEU 28 10.066 -8.771 -0.876 209 HD12 LEU 28 2HD1 LEU 28 8.477 -8.041 -1.106 210 HD13 LEU 28 3HD1 LEU 28 9.929 -7.157 -1.575 211 HD21 LEU 28 3HD2 LEU 28 8.480 -7.080 -3.893 212 HD22 LEU 28 1HD2 LEU 28 9.455 -8.106 -4.947 213 HD23 LEU 28 2HD2 LEU 28 10.241 -7.003 -3.817 214 H LYS 29 H LYS 29 7.763 -11.234 -2.475 215 HA LYS 29 HA LYS 29 7.540 -10.587 0.216 216 HB2 LYS 29 1HB LYS 29 5.802 -11.756 -1.839 217 HB3 LYS 29 2HB LYS 29 5.383 -12.237 -0.200 218 HG2 LYS 29 1HG LYS 29 5.197 -9.905 0.458 219 HG3 LYS 29 2HG LYS 29 5.669 -9.398 -1.166 220 HD2 LYS 29 1HD LYS 29 3.676 -10.253 -2.113 221 HD3 LYS 29 2HD LYS 29 3.275 -11.146 -0.643 222 HE2 LYS 29 1HE LYS 29 3.428 -8.140 -0.814 223 HE3 LYS 29 2HE LYS 29 1.937 -9.065 -0.991 224 HZ1 LYS 29 3HZ LYS 29 2.641 -10.049 1.281 225 HZ2 LYS 29 1HZ LYS 29 1.915 -8.522 1.227 226 HZ3 LYS 29 2HZ LYS 29 3.591 -8.655 1.406 227 H GLN 30 H GLN 30 7.306 -13.853 -1.207 228 HA GLN 30 HA GLN 30 7.263 -15.253 1.206 229 HB2 GLN 30 1HB GLN 30 7.409 -17.163 -0.059 230 HB3 GLN 30 2HB GLN 30 6.906 -16.017 -1.295 231 HG2 GLN 30 1HG GLN 30 9.238 -15.757 -1.992 232 HG3 GLN 30 2HG GLN 30 9.725 -16.931 -0.769 233 HE21 GLN 30 2HE2 GLN 30 9.129 -16.566 -3.946 234 HE22 GLN 30 1HE2 GLN 30 8.694 -18.185 -4.363 235 H PHE 31 H PHE 31 9.924 -13.918 -0.613 236 HA PHE 31 HA PHE 31 12.006 -15.360 0.658 237 HB2 PHE 31 1HB PHE 31 11.800 -12.992 -1.105 238 HB3 PHE 31 2HB PHE 31 13.242 -13.077 -0.099 239 HD1 PHE 31 HD1 PHE 31 14.276 -15.588 -0.067 240 HD2 PHE 31 HD2 PHE 31 12.016 -13.833 -3.217 241 HE1 PHE 31 HE1 PHE 31 15.304 -17.148 -1.668 242 HE2 PHE 31 HE2 PHE 31 13.038 -15.390 -4.824 243 HZ PHE 31 HZ PHE 31 14.684 -17.051 -4.050 244 H LEU 32 H LEU 32 10.265 -12.427 1.444 245 HA LEU 32 HA LEU 32 12.042 -11.537 3.483 246 HB2 LEU 32 1HB LEU 32 9.152 -10.917 2.909 247 HB3 LEU 32 2HB LEU 32 10.083 -10.133 4.183 248 HG LEU 32 HG LEU 32 10.540 -9.942 1.209 249 HD11 LEU 32 1HD1 LEU 32 9.348 -8.075 1.299 250 HD12 LEU 32 2HD1 LEU 32 10.307 -7.469 2.649 251 HD13 LEU 32 3HD1 LEU 32 8.902 -8.491 2.954 252 HD21 LEU 32 3HD2 LEU 32 12.705 -9.769 1.834 253 HD22 LEU 32 1HD2 LEU 32 12.306 -9.369 3.504 254 HD23 LEU 32 2HD2 LEU 32 12.217 -8.127 2.255 255 H LYS 33 H LYS 33 9.243 -13.649 3.404 256 HA LYS 33 HA LYS 33 8.875 -13.802 6.220 257 HB2 LYS 33 1HB LYS 33 6.980 -14.485 5.113 258 HB3 LYS 33 2HB LYS 33 7.884 -15.302 3.845 259 HG2 LYS 33 1HG LYS 33 8.031 -16.437 6.578 260 HG3 LYS 33 2HG LYS 33 6.517 -16.621 5.690 261 HD2 LYS 33 1HD LYS 33 8.284 -17.316 3.774 262 HD3 LYS 33 2HD LYS 33 9.161 -17.842 5.213 263 HE2 LYS 33 1HE LYS 33 7.575 -19.411 5.770 264 HE3 LYS 33 2HE LYS 33 6.279 -18.551 4.940 265 HZ1 LYS 33 3HZ LYS 33 8.139 -20.516 3.919 266 HZ2 LYS 33 1HZ LYS 33 7.896 -19.184 2.903 267 HZ3 LYS 33 2HZ LYS 33 6.579 -20.125 3.394 268 H THR 34 H THR 34 10.822 -15.570 3.903 269 HA THR 34 HA THR 34 11.633 -17.536 5.883 270 HB THR 34 HB THR 34 13.163 -18.316 3.986 271 HG1 THR 34 HG1 THR 34 12.680 -17.497 1.944 272 HG21 THR 34 3HG2 THR 34 10.250 -18.319 3.240 273 HG22 THR 34 1HG2 THR 34 10.858 -19.228 4.623 274 HG23 THR 34 2HG2 THR 34 11.449 -19.590 3.001 275 H LEU 35 H LEU 35 12.796 -14.583 4.474 276 HA LEU 35 HA LEU 35 15.512 -14.948 5.390 277 HB2 LEU 35 1HB LEU 35 14.862 -13.669 3.329 278 HB3 LEU 35 2HB LEU 35 14.207 -12.425 4.391 279 HG LEU 35 HG LEU 35 17.063 -13.237 4.695 280 HD11 LEU 35 1HD1 LEU 35 16.250 -12.648 2.215 281 HD12 LEU 35 2HD1 LEU 35 17.820 -12.164 2.856 282 HD13 LEU 35 3HD1 LEU 35 16.483 -11.014 2.838 283 HD21 LEU 35 3HD2 LEU 35 15.502 -10.687 5.073 284 HD22 LEU 35 1HD2 LEU 35 17.250 -10.821 5.265 285 HD23 LEU 35 2HD2 LEU 35 16.174 -11.727 6.329 286 H THR 36 H THR 36 12.731 -12.930 6.280 287 HA THR 36 HA THR 36 14.081 -12.337 8.833 288 HB THR 36 HB THR 36 13.117 -10.238 8.922 289 HG1 THR 36 HG1 THR 36 11.234 -10.925 6.903 290 HG21 THR 36 3HG2 THR 36 13.370 -10.744 5.955 291 HG22 THR 36 1HG2 THR 36 14.692 -10.329 7.044 292 HG23 THR 36 2HG2 THR 36 13.401 -9.166 6.741 293 H GLY 37 H GLY 37 10.979 -13.130 7.318 294 HA2 GLY 37 1HA GLY 37 9.032 -13.987 8.196 295 HA3 GLY 37 2HA GLY 37 10.115 -14.935 9.204 296 H VAL 38 H VAL 38 10.082 -11.464 9.414 297 HA VAL 38 HA VAL 38 8.683 -11.673 12.002 298 HB VAL 38 HB VAL 38 11.059 -11.206 12.337 299 HG11 VAL 38 1HG1 VAL 38 10.993 -9.857 10.013 300 HG12 VAL 38 2HG1 VAL 38 10.909 -8.510 11.150 301 HG13 VAL 38 3HG1 VAL 38 12.256 -9.646 11.226 302 HG21 VAL 38 3HG2 VAL 38 10.625 -9.807 14.036 303 HG22 VAL 38 1HG2 VAL 38 9.999 -8.552 12.967 304 HG23 VAL 38 2HG2 VAL 38 8.956 -9.882 13.471 305 H LEU 39 H LEU 39 8.848 -10.164 8.942 306 HA LEU 39 HA LEU 39 7.592 -7.705 9.512 307 HB2 LEU 39 1HB LEU 39 7.159 -9.133 6.926 308 HB3 LEU 39 2HB LEU 39 7.406 -7.414 7.226 309 HG LEU 39 HG LEU 39 9.484 -9.595 7.192 310 HD11 LEU 39 1HD1 LEU 39 10.456 -8.210 5.412 311 HD12 LEU 39 2HD1 LEU 39 9.086 -7.107 5.535 312 HD13 LEU 39 3HD1 LEU 39 8.833 -8.771 5.007 313 HD21 LEU 39 3HD2 LEU 39 10.621 -8.407 8.693 314 HD22 LEU 39 1HD2 LEU 39 9.462 -7.079 8.628 315 HD23 LEU 39 2HD2 LEU 39 10.777 -7.159 7.456 316 HA PRO 40 HA PRO 40 3.496 -10.033 8.347 317 HB2 PRO 40 1HB PRO 40 3.575 -12.743 8.499 318 HB3 PRO 40 2HB PRO 40 3.940 -11.852 7.016 319 HG2 PRO 40 1HG PRO 40 5.817 -13.031 9.028 320 HG3 PRO 40 2HG PRO 40 5.911 -13.063 7.258 321 HD2 PRO 40 1HD PRO 40 7.359 -11.339 8.763 322 HD3 PRO 40 2HD PRO 40 6.770 -10.927 7.140 323 H GLU 41 H GLU 41 5.619 -10.595 10.911 324 HA GLU 41 HA GLU 41 3.487 -11.576 12.674 325 HB2 GLU 41 1HB GLU 41 6.449 -11.334 13.229 326 HB3 GLU 41 2HB GLU 41 5.253 -12.099 14.267 327 HG2 GLU 41 1HG GLU 41 4.818 -13.738 12.447 328 HG3 GLU 41 2HG GLU 41 6.160 -13.025 11.554 329 H ARG 42 H ARG 42 6.049 -9.104 12.589 330 HA ARG 42 HA ARG 42 4.416 -7.016 13.489 331 HB2 ARG 42 1HB ARG 42 5.368 -6.740 15.792 332 HB3 ARG 42 2HB ARG 42 4.288 -8.116 15.610 333 HG2 ARG 42 1HG ARG 42 6.224 -9.605 15.429 334 HG3 ARG 42 2HG ARG 42 7.297 -8.220 15.638 335 HD2 ARG 42 1HD ARG 42 7.054 -9.367 17.744 336 HD3 ARG 42 2HD ARG 42 6.259 -7.796 17.840 337 HE ARG 42 HE ARG 42 4.280 -9.535 17.109 338 HH11 ARG 42 1HH1 ARG 42 6.543 -9.325 19.746 339 HH12 ARG 42 2HH1 ARG 42 5.495 -10.110 20.880 340 HH21 ARG 42 1HH2 ARG 42 2.890 -10.570 18.593 341 HH22 ARG 42 2HH2 ARG 42 3.418 -10.819 20.223 342 H GLN 43 H GLN 43 5.397 -5.162 12.972 343 HA GLN 43 HA GLN 43 8.232 -4.788 13.276 344 HB2 GLN 43 1HB GLN 43 8.883 -4.641 11.043 345 HB3 GLN 43 2HB GLN 43 7.841 -6.057 11.059 346 HG2 GLN 43 1HG GLN 43 7.301 -3.332 9.958 347 HG3 GLN 43 2HG GLN 43 7.175 -4.902 9.165 348 HE21 GLN 43 2HE2 GLN 43 5.530 -6.391 10.258 349 HE22 GLN 43 1HE2 GLN 43 4.011 -5.670 10.655 350 H LYS 44 H LYS 44 8.808 -2.592 12.043 351 HA LYS 44 HA LYS 44 6.592 -0.704 12.161 352 HB2 LYS 44 1HB LYS 44 9.098 -0.199 13.764 353 HB3 LYS 44 2HB LYS 44 7.618 0.752 13.752 354 HG2 LYS 44 1HG LYS 44 6.431 -1.183 14.756 355 HG3 LYS 44 2HG LYS 44 7.983 -2.015 14.879 356 HD2 LYS 44 1HD LYS 44 8.604 0.328 16.060 357 HD3 LYS 44 2HD LYS 44 6.891 0.218 16.470 358 HE2 LYS 44 1HE LYS 44 7.587 -2.264 17.089 359 HE3 LYS 44 2HE LYS 44 9.165 -1.508 17.295 360 HZ1 LYS 44 3HZ LYS 44 8.416 -0.210 19.021 361 HZ2 LYS 44 1HZ LYS 44 7.538 -1.632 19.281 362 HZ3 LYS 44 2HZ LYS 44 6.794 -0.301 18.551 363 H LEU 45 H LEU 45 8.464 -1.807 10.132 364 HA LEU 45 HA LEU 45 10.473 -0.090 9.365 365 HB2 LEU 45 1HB LEU 45 8.575 -1.815 7.834 366 HB3 LEU 45 2HB LEU 45 9.691 -0.762 6.968 367 HG LEU 45 HG LEU 45 11.584 -1.902 8.019 368 HD11 LEU 45 1HD1 LEU 45 9.402 -3.374 9.441 369 HD12 LEU 45 2HD1 LEU 45 10.865 -2.639 10.095 370 HD13 LEU 45 3HD1 LEU 45 10.970 -4.133 9.164 371 HD21 LEU 45 3HD2 LEU 45 10.850 -4.299 7.064 372 HD22 LEU 45 1HD2 LEU 45 11.289 -2.937 6.033 373 HD23 LEU 45 2HD2 LEU 45 9.590 -3.295 6.345 374 H LEU 46 H LEU 46 10.550 1.588 7.741 375 HA LEU 46 HA LEU 46 8.183 3.319 7.871 376 HB2 LEU 46 1HB LEU 46 10.979 4.071 7.047 377 HB3 LEU 46 2HB LEU 46 9.645 5.160 7.422 378 HG LEU 46 HG LEU 46 11.004 5.302 9.298 379 HD11 LEU 46 1HD1 LEU 46 9.717 4.476 11.064 380 HD12 LEU 46 2HD1 LEU 46 9.220 3.048 10.156 381 HD13 LEU 46 3HD1 LEU 46 8.574 4.633 9.729 382 HD21 LEU 46 3HD2 LEU 46 12.079 2.926 8.441 383 HD22 LEU 46 1HD2 LEU 46 11.312 2.480 9.965 384 HD23 LEU 46 2HD2 LEU 46 12.509 3.775 9.927 385 H GLY 47 H GLY 47 6.934 3.474 6.136 386 HA2 GLY 47 1HA GLY 47 6.506 3.948 3.867 387 HA3 GLY 47 2HA GLY 47 8.149 3.458 3.478 388 H LEU 48 H LEU 48 8.526 1.015 4.090 389 HA LEU 48 HA LEU 48 6.684 -0.466 2.457 390 HB2 LEU 48 1HB LEU 48 8.978 -0.993 2.210 391 HB3 LEU 48 2HB LEU 48 9.188 -1.199 3.948 392 HG LEU 48 HG LEU 48 7.725 -3.224 3.802 393 HD11 LEU 48 1HD1 LEU 48 7.052 -2.256 1.335 394 HD12 LEU 48 2HD1 LEU 48 6.758 -3.898 1.905 395 HD13 LEU 48 3HD1 LEU 48 8.190 -3.544 0.938 396 HD21 LEU 48 3HD2 LEU 48 9.763 -4.120 3.887 397 HD22 LEU 48 1HD2 LEU 48 10.436 -2.878 2.831 398 HD23 LEU 48 2HD2 LEU 48 9.654 -4.297 2.135 399 H LYS 49 H LYS 49 5.512 -2.329 3.086 400 HA LYS 49 HA LYS 49 4.075 -3.498 4.406 401 HB2 LYS 49 1HB LYS 49 6.427 -3.062 6.194 402 HB3 LYS 49 2HB LYS 49 4.955 -3.728 6.890 403 HG2 LYS 49 1HG LYS 49 6.227 -4.922 4.452 404 HG3 LYS 49 2HG LYS 49 6.731 -5.365 6.085 405 HD2 LYS 49 1HD LYS 49 4.706 -6.369 6.577 406 HD3 LYS 49 2HD LYS 49 3.833 -5.443 5.353 407 HE2 LYS 49 1HE LYS 49 3.937 -7.383 4.207 408 HE3 LYS 49 2HE LYS 49 5.545 -6.798 3.781 409 HZ1 LYS 49 3HZ LYS 49 6.548 -8.311 5.106 410 HZ2 LYS 49 1HZ LYS 49 5.130 -9.186 4.814 411 HZ3 LYS 49 2HZ LYS 49 5.307 -8.320 6.256 412 H VAL 50 H VAL 50 2.592 -1.680 4.114 413 HA VAL 50 HA VAL 50 2.335 0.221 6.278 414 HB VAL 50 HB VAL 50 0.319 -0.212 4.087 415 HG11 VAL 50 1HG1 VAL 50 -0.586 1.322 5.530 416 HG12 VAL 50 2HG1 VAL 50 0.986 1.958 6.017 417 HG13 VAL 50 3HG1 VAL 50 0.306 2.390 4.448 418 HG21 VAL 50 3HG2 VAL 50 3.036 0.995 3.933 419 HG22 VAL 50 1HG2 VAL 50 2.143 0.062 2.731 420 HG23 VAL 50 2HG2 VAL 50 1.725 1.750 3.027 421 H LYS 51 H LYS 51 1.063 0.038 8.009 422 HA LYS 51 HA LYS 51 -0.250 -2.399 8.609 423 HB2 LYS 51 1HB LYS 51 -1.126 -1.107 10.597 424 HB3 LYS 51 2HB LYS 51 0.624 -1.151 10.431 425 HG2 LYS 51 1HG LYS 51 0.782 1.068 10.035 426 HG3 LYS 51 2HG LYS 51 -0.761 1.139 9.180 427 HD2 LYS 51 1HD LYS 51 -1.861 0.777 11.441 428 HD3 LYS 51 2HD LYS 51 -0.275 1.094 12.150 429 HE2 LYS 51 1HE LYS 51 -1.473 3.012 10.189 430 HE3 LYS 51 2HE LYS 51 -1.968 3.043 11.881 431 HZ1 LYS 51 3HZ LYS 51 0.515 3.891 10.669 432 HZ2 LYS 51 1HZ LYS 51 0.704 2.994 12.092 433 HZ3 LYS 51 2HZ LYS 51 -0.224 4.408 12.100 434 H GLY 52 H GLY 52 -2.217 -3.072 8.067 435 HA2 GLY 52 1HA GLY 52 -4.533 -2.925 7.769 436 HA3 GLY 52 2HA GLY 52 -4.402 -1.172 7.800 437 H LYS 53 H LYS 53 -2.061 -1.910 5.751 438 HA LYS 53 HA LYS 53 -3.648 -2.521 3.404 439 HB2 LYS 53 1HB LYS 53 -2.351 0.171 3.823 440 HB3 LYS 53 2HB LYS 53 -2.794 -0.437 2.234 441 HG2 LYS 53 1HG LYS 53 -5.146 -0.714 3.198 442 HG3 LYS 53 2HG LYS 53 -4.582 0.315 4.517 443 HD2 LYS 53 1HD LYS 53 -4.210 1.158 1.668 444 HD3 LYS 53 2HD LYS 53 -5.760 1.400 2.477 445 HE2 LYS 53 1HE LYS 53 -3.198 2.315 3.736 446 HE3 LYS 53 2HE LYS 53 -4.017 3.303 2.527 447 HZ1 LYS 53 3HZ LYS 53 -5.176 4.093 4.241 448 HZ2 LYS 53 1HZ LYS 53 -4.695 2.846 5.278 449 HZ3 LYS 53 2HZ LYS 53 -6.008 2.621 4.237 450 HA PRO 54 HA PRO 54 0.789 -3.978 3.404 451 HB2 PRO 54 1HB PRO 54 0.197 -6.591 2.967 452 HB3 PRO 54 2HB PRO 54 0.287 -5.884 4.584 453 HG2 PRO 54 1HG PRO 54 -2.119 -6.453 2.897 454 HG3 PRO 54 2HG PRO 54 -1.878 -6.730 4.632 455 HD2 PRO 54 1HD PRO 54 -3.253 -4.603 3.674 456 HD3 PRO 54 2HD PRO 54 -2.301 -4.529 5.170 457 H ALA 55 H ALA 55 1.996 -4.624 1.600 458 HA ALA 55 HA ALA 55 1.159 -3.798 -0.894 459 HB1 ALA 55 1HB ALA 55 3.508 -4.162 -0.261 460 HB2 ALA 55 2HB ALA 55 3.243 -5.904 -0.331 461 HB3 ALA 55 3HB ALA 55 3.101 -4.931 -1.795 462 H GLU 56 H GLU 56 1.102 -5.250 -2.899 463 HA GLU 56 HA GLU 56 -0.520 -7.647 -2.356 464 HB2 GLU 56 1HB GLU 56 -1.665 -5.443 -3.278 465 HB3 GLU 56 2HB GLU 56 -1.029 -6.027 -4.809 466 HG2 GLU 56 1HG GLU 56 -2.440 -7.803 -4.884 467 HG3 GLU 56 2HG GLU 56 -2.523 -7.954 -3.130 468 H ASN 57 H ASN 57 -0.625 -9.142 -4.256 469 HA ASN 57 HA ASN 57 2.010 -9.751 -5.132 470 HB2 ASN 57 1HB ASN 57 0.872 -11.565 -6.439 471 HB3 ASN 57 2HB ASN 57 0.482 -11.561 -4.722 472 HD21 ASN 57 2HD2 ASN 57 -1.572 -10.930 -4.054 473 HD22 ASN 57 1HD2 ASN 57 -2.907 -10.863 -5.148 474 H ASP 58 H ASP 58 -0.828 -8.344 -6.682 475 HA ASP 58 HA ASP 58 0.091 -8.358 -9.326 476 HB2 ASP 58 1HB ASP 58 -2.244 -7.745 -8.346 477 HB3 ASP 58 2HB ASP 58 -1.587 -6.114 -8.250 478 H VAL 59 H VAL 59 0.972 -6.397 -6.626 479 HA VAL 59 HA VAL 59 1.924 -4.100 -7.895 480 HB VAL 59 HB VAL 59 3.009 -5.447 -5.417 481 HG11 VAL 59 1HG1 VAL 59 3.371 -2.628 -6.429 482 HG12 VAL 59 2HG1 VAL 59 3.896 -3.224 -4.853 483 HG13 VAL 59 3HG1 VAL 59 4.617 -3.872 -6.326 484 HG21 VAL 59 3HG2 VAL 59 1.594 -3.870 -4.200 485 HG22 VAL 59 1HG2 VAL 59 0.980 -3.236 -5.727 486 HG23 VAL 59 2HG2 VAL 59 0.630 -4.900 -5.259 487 H LYS 60 H LYS 60 3.916 -3.501 -8.713 488 HA LYS 60 HA LYS 60 6.167 -5.256 -8.755 489 HB2 LYS 60 1HB LYS 60 6.141 -5.364 -11.339 490 HB3 LYS 60 2HB LYS 60 5.144 -6.500 -10.440 491 HG2 LYS 60 1HG LYS 60 3.207 -5.590 -11.167 492 HG3 LYS 60 2HG LYS 60 3.866 -3.953 -11.218 493 HD2 LYS 60 1HD LYS 60 3.709 -4.328 -13.456 494 HD3 LYS 60 2HD LYS 60 5.307 -5.026 -13.185 495 HE2 LYS 60 1HE LYS 60 2.928 -6.781 -12.860 496 HE3 LYS 60 2HE LYS 60 3.415 -6.333 -14.495 497 HZ1 LYS 60 3HZ LYS 60 4.580 -8.275 -14.093 498 HZ2 LYS 60 1HZ LYS 60 4.913 -7.882 -12.482 499 HZ3 LYS 60 2HZ LYS 60 5.729 -7.086 -13.732 500 H LEU 61 H LEU 61 7.843 -4.371 -10.421 501 HA LEU 61 HA LEU 61 8.387 -1.705 -9.742 502 HB2 LEU 61 1HB LEU 61 10.110 -3.321 -10.366 503 HB3 LEU 61 2HB LEU 61 9.489 -3.351 -12.015 504 HG LEU 61 HG LEU 61 10.410 -0.754 -10.877 505 HD11 LEU 61 1HD1 LEU 61 12.113 -2.646 -10.432 506 HD12 LEU 61 2HD1 LEU 61 12.665 -1.163 -11.211 507 HD13 LEU 61 3HD1 LEU 61 12.365 -2.608 -12.177 508 HD21 LEU 61 3HD2 LEU 61 10.189 -2.038 -13.575 509 HD22 LEU 61 1HD2 LEU 61 11.229 -0.637 -13.319 510 HD23 LEU 61 2HD2 LEU 61 9.498 -0.519 -13.002 511 H GLY 62 H GLY 62 6.819 -3.131 -12.547 512 HA2 GLY 62 1HA GLY 62 6.748 -0.658 -14.024 513 HA3 GLY 62 2HA GLY 62 5.933 -2.155 -14.452 514 H ALA 63 H ALA 63 5.141 -1.573 -11.322 515 HA ALA 63 HA ALA 63 2.653 -0.212 -12.113 516 HB1 ALA 63 1HB ALA 63 2.352 -2.499 -11.286 517 HB2 ALA 63 2HB ALA 63 3.128 -2.047 -9.767 518 HB3 ALA 63 3HB ALA 63 1.590 -1.314 -10.224 519 H LEU 64 H LEU 64 5.425 -0.064 -10.063 520 HA LEU 64 HA LEU 64 4.277 2.230 -8.620 521 HB2 LEU 64 1HB LEU 64 6.745 0.684 -7.868 522 HB3 LEU 64 2HB LEU 64 5.859 1.847 -6.884 523 HG LEU 64 HG LEU 64 4.516 -0.673 -7.769 524 HD11 LEU 64 1HD1 LEU 64 6.346 -1.712 -6.845 525 HD12 LEU 64 2HD1 LEU 64 5.316 -1.507 -5.430 526 HD13 LEU 64 3HD1 LEU 64 6.658 -0.398 -5.710 527 HD21 LEU 64 3HD2 LEU 64 3.876 -0.035 -5.148 528 HD22 LEU 64 1HD2 LEU 64 2.905 0.300 -6.581 529 HD23 LEU 64 2HD2 LEU 64 4.006 1.527 -5.956 530 H LYS 65 H LYS 65 7.104 1.096 -10.406 531 HA LYS 65 HA LYS 65 8.852 2.194 -11.375 532 HB2 LYS 65 1HB LYS 65 6.811 4.402 -11.686 533 HB3 LYS 65 2HB LYS 65 8.273 4.191 -12.640 534 HG2 LYS 65 1HG LYS 65 7.310 2.705 -13.995 535 HG3 LYS 65 2HG LYS 65 6.533 1.851 -12.660 536 HD2 LYS 65 1HD LYS 65 5.481 4.531 -13.394 537 HD3 LYS 65 2HD LYS 65 5.139 3.185 -14.484 538 HE2 LYS 65 1HE LYS 65 3.377 2.852 -13.125 539 HE3 LYS 65 2HE LYS 65 4.564 2.058 -12.092 540 HZ1 LYS 65 3HZ LYS 65 4.652 4.793 -11.548 541 HZ2 LYS 65 1HZ LYS 65 4.129 3.545 -10.533 542 HZ3 LYS 65 2HZ LYS 65 3.023 4.335 -11.540 543 H LEU 66 H LEU 66 8.601 2.478 -8.510 544 HA LEU 66 HA LEU 66 9.320 5.204 -7.877 545 HB2 LEU 66 1HB LEU 66 8.675 2.757 -6.407 546 HB3 LEU 66 2HB LEU 66 9.939 3.730 -5.657 547 HG LEU 66 HG LEU 66 7.460 5.136 -6.477 548 HD11 LEU 66 1HD1 LEU 66 6.890 2.866 -5.344 549 HD12 LEU 66 2HD1 LEU 66 6.107 4.344 -4.787 550 HD13 LEU 66 3HD1 LEU 66 7.457 3.665 -3.877 551 HD21 LEU 66 3HD2 LEU 66 9.739 5.580 -4.822 552 HD22 LEU 66 1HD2 LEU 66 8.285 5.663 -3.827 553 HD23 LEU 66 2HD2 LEU 66 8.442 6.698 -5.247 554 H LYS 67 H LYS 67 11.313 5.249 -6.202 555 HA LYS 67 HA LYS 67 13.581 3.918 -7.528 556 HB2 LYS 67 1HB LYS 67 14.894 5.898 -7.400 557 HB3 LYS 67 2HB LYS 67 13.352 6.363 -8.106 558 HG2 LYS 67 1HG LYS 67 12.617 7.212 -5.932 559 HG3 LYS 67 2HG LYS 67 14.174 6.758 -5.235 560 HD2 LYS 67 1HD LYS 67 15.312 8.421 -6.364 561 HD3 LYS 67 2HD LYS 67 14.095 8.533 -7.638 562 HE2 LYS 67 1HE LYS 67 12.590 9.299 -5.582 563 HE3 LYS 67 2HE LYS 67 14.162 9.784 -4.947 564 HZ1 LYS 67 3HZ LYS 67 14.263 11.493 -6.349 565 HZ2 LYS 67 1HZ LYS 67 12.615 11.242 -6.637 566 HZ3 LYS 67 2HZ LYS 67 13.767 10.570 -7.676 567 HA PRO 68 HA PRO 68 14.900 2.596 -3.556 568 HB2 PRO 68 1HB PRO 68 17.599 2.628 -3.851 569 HB3 PRO 68 2HB PRO 68 16.563 1.424 -4.626 570 HG2 PRO 68 1HG PRO 68 17.758 3.916 -5.776 571 HG3 PRO 68 2HG PRO 68 17.635 2.300 -6.495 572 HD2 PRO 68 1HD PRO 68 15.937 4.311 -7.131 573 HD3 PRO 68 2HD PRO 68 15.437 2.607 -7.117 574 H ASN 69 H ASN 69 15.724 5.699 -4.744 575 HA ASN 69 HA ASN 69 17.374 6.742 -2.782 576 HB2 ASN 69 1HB ASN 69 16.643 7.900 -4.888 577 HB3 ASN 69 2HB ASN 69 15.099 8.229 -4.107 578 HD21 ASN 69 2HD2 ASN 69 18.552 8.822 -3.965 579 HD22 ASN 69 1HD2 ASN 69 18.452 10.292 -3.063 580 H THR 70 H THR 70 14.041 5.856 -2.601 581 HA THR 70 HA THR 70 13.039 7.414 -0.573 582 HB THR 70 HB THR 70 11.923 5.087 0.140 583 HG1 THR 70 HG1 THR 70 12.439 4.554 -2.575 584 HG21 THR 70 3HG2 THR 70 10.721 6.976 -0.813 585 HG22 THR 70 1HG2 THR 70 10.227 5.481 -1.606 586 HG23 THR 70 2HG2 THR 70 11.338 6.585 -2.417 587 H LYS 71 H LYS 71 15.048 4.506 -0.271 588 HA LYS 71 HA LYS 71 16.304 3.690 1.441 589 HB2 LYS 71 1HB LYS 71 16.279 6.608 1.880 590 HB3 LYS 71 2HB LYS 71 16.705 5.644 3.287 591 HG2 LYS 71 1HG LYS 71 18.411 4.492 1.826 592 HG3 LYS 71 2HG LYS 71 18.090 5.742 0.623 593 HD2 LYS 71 1HD LYS 71 18.851 6.401 3.456 594 HD3 LYS 71 2HD LYS 71 20.058 6.123 2.199 595 HE2 LYS 71 1HE LYS 71 17.848 8.042 1.654 596 HE3 LYS 71 2HE LYS 71 19.148 8.544 2.733 597 HZ1 LYS 71 3HZ LYS 71 20.224 9.092 0.879 598 HZ2 LYS 71 1HZ LYS 71 19.163 8.228 -0.117 599 HZ3 LYS 71 2HZ LYS 71 20.458 7.435 0.629 600 H ILE 72 H ILE 72 15.109 2.208 2.487 601 HA ILE 72 HA ILE 72 13.113 3.118 4.436 602 HB ILE 72 HB ILE 72 12.359 1.477 2.757 603 HG12 ILE 72 1HG1 ILE 72 11.716 1.549 5.355 604 HG13 ILE 72 2HG1 ILE 72 11.005 0.388 4.240 605 HG21 ILE 72 1HG2 ILE 72 13.182 -0.891 3.030 606 HG22 ILE 72 2HG2 ILE 72 14.323 0.237 2.300 607 HG23 ILE 72 3HG2 ILE 72 14.505 -0.231 3.990 608 HD11 ILE 72 3HD1 ILE 72 13.488 -0.289 5.755 609 HD12 ILE 72 1HD1 ILE 72 11.900 -0.432 6.508 610 HD13 ILE 72 2HD1 ILE 72 12.276 -1.362 5.058 611 H MET 73 H MET 73 13.125 2.403 6.572 612 HA MET 73 HA MET 73 15.638 1.151 7.468 613 HB2 MET 73 1HB MET 73 15.826 3.360 8.221 614 HB3 MET 73 2HB MET 73 14.114 3.476 8.603 615 HG2 MET 73 1HG MET 73 14.380 2.080 10.525 616 HG3 MET 73 2HG MET 73 16.051 1.725 10.092 617 HE1 MET 73 3HE MET 73 17.891 5.055 10.773 618 HE2 MET 73 1HE MET 73 18.088 3.312 10.587 619 HE3 MET 73 2HE MET 73 17.391 4.265 9.277 620 H MET 74 H MET 74 15.512 -0.427 9.018 621 HA MET 74 HA MET 74 12.833 -1.482 9.524 622 HB2 MET 74 1HB MET 74 15.153 -2.724 8.767 623 HB3 MET 74 2HB MET 74 15.139 -3.021 10.501 624 HG2 MET 74 1HG MET 74 12.810 -3.901 10.237 625 HG3 MET 74 2HG MET 74 13.039 -3.786 8.493 626 HE1 MET 74 3HE MET 74 15.341 -4.737 7.440 627 HE2 MET 74 1HE MET 74 15.564 -6.477 7.627 628 HE3 MET 74 2HE MET 74 14.006 -5.839 7.102 629 H MET 75 H MET 75 11.877 -1.375 11.454 630 HA MET 75 HA MET 75 13.516 -0.935 13.843 631 HB2 MET 75 1HB MET 75 12.425 1.211 12.778 632 HB3 MET 75 2HB MET 75 10.969 0.606 13.555 633 HG2 MET 75 1HG MET 75 13.459 0.825 15.163 634 HG3 MET 75 2HG MET 75 12.567 2.292 14.768 635 HE1 MET 75 3HE MET 75 11.647 3.203 16.696 636 HE2 MET 75 1HE MET 75 10.837 2.381 18.030 637 HE3 MET 75 2HE MET 75 12.577 2.195 17.806 638 H GLY 76 H GLY 76 12.811 -1.989 15.633 639 HA2 GLY 76 1HA GLY 76 11.556 -3.393 16.948 640 HA3 GLY 76 2HA GLY 76 10.141 -2.774 16.109 641 H THR 77 H THR 77 12.816 -4.388 14.514 642 HA THR 77 HA THR 77 10.962 -6.537 13.746 643 HB THR 77 HB THR 77 13.047 -6.907 12.075 644 HG1 THR 77 HG1 THR 77 14.306 -5.199 12.445 645 HG21 THR 77 3HG2 THR 77 11.181 -4.742 11.277 646 HG22 THR 77 1HG2 THR 77 10.472 -6.277 11.775 647 HG23 THR 77 2HG2 THR 77 11.616 -6.227 10.434 648 H ARG 78 H ARG 78 12.306 -8.619 13.119 649 HA ARG 78 HA ARG 78 13.304 -10.479 13.979 650 HB2 ARG 78 1HB ARG 78 15.300 -8.305 14.535 651 HB3 ARG 78 2HB ARG 78 15.618 -9.960 15.037 652 HG2 ARG 78 1HG ARG 78 15.162 -10.607 12.615 653 HG3 ARG 78 2HG ARG 78 15.286 -8.883 12.259 654 HD2 ARG 78 1HD ARG 78 17.402 -10.617 13.529 655 HD3 ARG 78 2HD ARG 78 17.421 -9.969 11.890 656 HE ARG 78 HE ARG 78 17.218 -7.758 13.449 657 HH11 ARG 78 1HH1 ARG 78 19.400 -10.470 13.372 658 HH12 ARG 78 2HH1 ARG 78 20.750 -9.568 13.976 659 HH21 ARG 78 1HH2 ARG 78 18.988 -6.560 14.245 660 HH22 ARG 78 2HH2 ARG 78 20.515 -7.344 14.473 661 H GLU 79 H GLU 79 11.391 -9.099 15.685 662 HA GLU 79 HA GLU 79 12.444 -9.813 18.342 663 HB2 GLU 79 1HB GLU 79 10.469 -8.395 19.155 664 HB3 GLU 79 2HB GLU 79 11.840 -7.551 18.452 665 HG2 GLU 79 1HG GLU 79 10.691 -7.047 16.497 666 HG3 GLU 79 2HG GLU 79 9.477 -8.294 16.778 667 H GLU 80 H GLU 80 11.863 -11.846 18.781 668 HA GLU 80 HA GLU 80 9.022 -12.545 18.505 669 HB2 GLU 80 1HB GLU 80 10.246 -13.615 16.669 670 HB3 GLU 80 2HB GLU 80 11.354 -14.345 17.823 671 HG2 GLU 80 1HG GLU 80 9.637 -15.904 16.992 672 HG3 GLU 80 2HG GLU 80 9.602 -15.696 18.742 673 H SER 81 H SER 81 8.146 -13.649 20.188 674 HA SER 81 HA SER 81 9.433 -13.571 22.687 675 HB2 SER 81 1HB SER 81 6.909 -13.619 22.162 676 HB3 SER 81 2HB SER 81 7.095 -15.371 22.082 677 HG SER 81 HG SER 81 8.004 -13.884 24.304 Start of MODEL 14 1 H1 MET 1 H MET 1 2.284 0.610 1.397 2 HA MET 1 HA MET 1 1.456 -1.053 -0.889 3 HB2 MET 1 1HB MET 1 2.685 1.708 -0.969 4 HB3 MET 1 2HB MET 1 2.448 0.681 -2.377 5 HG2 MET 1 1HG MET 1 0.024 0.705 -1.955 6 HG3 MET 1 2HG MET 1 0.293 1.795 -0.598 7 HE1 MET 1 3HE MET 1 -1.741 2.786 -2.242 8 HE2 MET 1 1HE MET 1 -0.958 4.066 -1.316 9 HE3 MET 1 2HE MET 1 -1.296 4.300 -3.031 10 H ALA 2 H ALA 2 3.453 -1.167 -2.491 11 HA ALA 2 HA ALA 2 5.806 -1.874 -0.861 12 HB1 ALA 2 1HB ALA 2 5.123 -3.933 -1.591 13 HB2 ALA 2 2HB ALA 2 4.459 -3.302 -3.099 14 HB3 ALA 2 3HB ALA 2 6.204 -3.473 -2.907 15 H LEU 3 H LEU 3 7.378 -0.444 -1.181 16 HA LEU 3 HA LEU 3 7.740 0.673 -3.881 17 HB2 LEU 3 1HB LEU 3 8.901 1.833 -1.371 18 HB3 LEU 3 2HB LEU 3 8.645 2.615 -2.930 19 HG LEU 3 HG LEU 3 6.109 2.187 -2.351 20 HD11 LEU 3 1HD1 LEU 3 6.526 2.836 0.376 21 HD12 LEU 3 2HD1 LEU 3 7.412 1.351 0.028 22 HD13 LEU 3 3HD1 LEU 3 5.684 1.445 -0.309 23 HD21 LEU 3 3HD2 LEU 3 7.374 4.386 -0.791 24 HD22 LEU 3 1HD2 LEU 3 5.961 4.416 -1.846 25 HD23 LEU 3 2HD2 LEU 3 7.580 4.357 -2.543 26 HA PRO 4 HA PRO 4 11.544 -1.538 -4.179 27 HB2 PRO 4 1HB PRO 4 12.689 -0.081 -6.163 28 HB3 PRO 4 2HB PRO 4 11.368 -1.220 -6.448 29 HG2 PRO 4 1HG PRO 4 11.272 1.758 -6.155 30 HG3 PRO 4 2HG PRO 4 10.425 0.720 -7.317 31 HD2 PRO 4 1HD PRO 4 9.222 1.711 -5.103 32 HD3 PRO 4 2HD PRO 4 8.795 0.133 -5.797 33 H MET 5 H MET 5 12.222 -0.798 -2.025 34 HA MET 5 HA MET 5 14.407 1.159 -2.233 35 HB2 MET 5 1HB MET 5 12.851 0.914 0.311 36 HB3 MET 5 2HB MET 5 13.815 2.261 -0.278 37 HG2 MET 5 1HG MET 5 12.090 2.682 -2.001 38 HG3 MET 5 2HG MET 5 11.110 1.409 -1.277 39 HE1 MET 5 3HE MET 5 8.989 2.622 0.686 40 HE2 MET 5 1HE MET 5 10.155 1.299 0.710 41 HE3 MET 5 2HE MET 5 10.122 2.469 2.029 42 H ILE 6 H ILE 6 15.927 0.956 -0.301 43 HA ILE 6 HA ILE 6 16.370 -1.906 0.216 44 HB ILE 6 HB ILE 6 18.351 0.374 0.231 45 HG12 ILE 6 1HG1 ILE 6 18.311 -2.005 -1.617 46 HG13 ILE 6 2HG1 ILE 6 17.429 -0.529 -1.995 47 HG21 ILE 6 1HG2 ILE 6 18.465 -2.329 1.319 48 HG22 ILE 6 2HG2 ILE 6 19.785 -1.963 0.211 49 HG23 ILE 6 3HG2 ILE 6 19.509 -0.940 1.620 50 HD11 ILE 6 3HD1 ILE 6 19.379 0.717 -2.220 51 HD12 ILE 6 1HD1 ILE 6 20.351 -0.473 -1.354 52 HD13 ILE 6 2HD1 ILE 6 19.763 -0.827 -2.979 53 H VAL 7 H VAL 7 16.635 -2.662 2.263 54 HA VAL 7 HA VAL 7 16.050 -0.772 4.431 55 HB VAL 7 HB VAL 7 14.478 -2.566 4.379 56 HG11 VAL 7 1HG1 VAL 7 15.671 -4.942 4.862 57 HG12 VAL 7 2HG1 VAL 7 15.203 -4.380 3.256 58 HG13 VAL 7 3HG1 VAL 7 16.867 -4.187 3.809 59 HG21 VAL 7 3HG2 VAL 7 15.300 -1.868 6.600 60 HG22 VAL 7 1HG2 VAL 7 14.766 -3.548 6.571 61 HG23 VAL 7 2HG2 VAL 7 16.488 -3.170 6.547 62 H LYS 8 H LYS 8 17.464 -0.373 6.027 63 HA LYS 8 HA LYS 8 19.708 -2.164 6.494 64 HB2 LYS 8 1HB LYS 8 20.250 -0.327 4.708 65 HB3 LYS 8 2HB LYS 8 20.344 0.738 6.104 66 HG2 LYS 8 1HG LYS 8 21.865 -1.808 6.195 67 HG3 LYS 8 2HG LYS 8 22.463 -0.514 5.154 68 HD2 LYS 8 1HD LYS 8 22.202 0.999 7.206 69 HD3 LYS 8 2HD LYS 8 22.062 -0.498 8.132 70 HE2 LYS 8 1HE LYS 8 24.240 -1.223 7.272 71 HE3 LYS 8 2HE LYS 8 24.377 0.278 6.358 72 HZ1 LYS 8 3HZ LYS 8 25.498 0.908 8.194 73 HZ2 LYS 8 1HZ LYS 8 24.715 -0.196 9.209 74 HZ3 LYS 8 2HZ LYS 8 23.948 1.249 8.781 75 H TRP 9 H TRP 9 18.404 -2.404 8.449 76 HA TRP 9 HA TRP 9 18.439 -0.115 10.266 77 HB2 TRP 9 1HB TRP 9 16.394 -1.609 9.943 78 HB3 TRP 9 2HB TRP 9 17.282 -2.843 10.832 79 HD1 TRP 9 HD1 TRP 9 16.386 -2.928 13.219 80 HE1 TRP 9 HE1 TRP 9 15.692 -1.203 14.999 81 HE3 TRP 9 HE3 TRP 9 17.034 1.351 10.498 82 HZ2 TRP 9 HZ2 TRP 9 15.450 1.600 15.220 83 HZ3 TRP 9 HZ3 TRP 9 16.548 3.513 11.567 84 HH2 TRP 9 HH2 TRP 9 15.772 3.633 13.879 85 H GLY 10 H GLY 10 20.888 -1.570 9.478 86 HA2 GLY 10 1HA GLY 10 22.851 -1.774 10.780 87 HA3 GLY 10 2HA GLY 10 21.853 -2.082 12.193 88 H GLY 11 H GLY 11 21.404 -4.148 12.775 89 HA2 GLY 11 1HA GLY 11 23.018 -6.236 11.958 90 HA3 GLY 11 2HA GLY 11 21.475 -6.444 12.772 91 H GLN 12 H GLN 12 19.680 -5.572 10.917 92 HA GLN 12 HA GLN 12 19.967 -7.621 8.842 93 HB2 GLN 12 1HB GLN 12 17.526 -6.129 9.820 94 HB3 GLN 12 2HB GLN 12 17.517 -7.348 8.552 95 HG2 GLN 12 1HG GLN 12 17.711 -9.064 10.004 96 HG3 GLN 12 2HG GLN 12 18.711 -8.146 11.128 97 HE21 GLN 12 2HE2 GLN 12 15.706 -9.462 10.598 98 HE22 GLN 12 1HE2 GLN 12 14.819 -8.612 11.812 99 H GLU 13 H GLU 13 20.457 -7.050 6.837 100 HA GLU 13 HA GLU 13 19.580 -4.434 5.840 101 HB2 GLU 13 1HB GLU 13 21.891 -4.122 6.513 102 HB3 GLU 13 2HB GLU 13 22.379 -5.549 5.609 103 HG2 GLU 13 1HG GLU 13 21.987 -4.494 3.538 104 HG3 GLU 13 2HG GLU 13 21.120 -3.161 4.298 105 H TYR 14 H TYR 14 17.984 -5.532 4.653 106 HA TYR 14 HA TYR 14 18.963 -7.319 2.533 107 HB2 TYR 14 1HB TYR 14 16.738 -7.490 4.263 108 HB3 TYR 14 2HB TYR 14 16.093 -7.177 2.656 109 HD1 TYR 14 HD1 TYR 14 18.901 -9.250 4.013 110 HD2 TYR 14 HD2 TYR 14 15.398 -9.100 1.603 111 HE1 TYR 14 HE1 TYR 14 19.203 -11.622 3.437 112 HE2 TYR 14 HE2 TYR 14 15.690 -11.471 1.021 113 HH TYR 14 HH TYR 14 17.325 -13.167 0.972 114 H SER 15 H SER 15 17.024 -7.132 0.671 115 HA SER 15 HA SER 15 17.052 -4.296 -0.133 116 HB2 SER 15 1HB SER 15 17.290 -5.092 -2.486 117 HB3 SER 15 2HB SER 15 18.679 -5.494 -1.476 118 HG SER 15 HG SER 15 17.673 -7.196 -2.903 119 H VAL 16 H VAL 16 15.029 -3.582 -0.008 120 HA VAL 16 HA VAL 16 12.803 -5.377 -0.598 121 HB VAL 16 HB VAL 16 12.550 -2.519 0.303 122 HG11 VAL 16 1HG1 VAL 16 10.389 -3.014 0.141 123 HG12 VAL 16 2HG1 VAL 16 10.748 -4.707 -0.205 124 HG13 VAL 16 3HG1 VAL 16 10.610 -4.157 1.465 125 HG21 VAL 16 3HG2 VAL 16 13.867 -3.242 2.036 126 HG22 VAL 16 1HG2 VAL 16 12.278 -3.737 2.620 127 HG23 VAL 16 2HG2 VAL 16 13.352 -4.920 1.873 128 H THR 17 H THR 17 14.367 -4.675 -2.814 129 HA THR 17 HA THR 17 13.288 -2.472 -4.247 130 HB THR 17 HB THR 17 15.503 -3.472 -4.756 131 HG1 THR 17 HG1 THR 17 15.207 -2.616 -6.662 132 HG21 THR 17 3HG2 THR 17 15.063 -5.812 -4.549 133 HG22 THR 17 1HG2 THR 17 15.502 -5.509 -6.229 134 HG23 THR 17 2HG2 THR 17 13.811 -5.746 -5.788 135 H THR 18 H THR 18 12.389 -3.002 -6.577 136 HA THR 18 HA THR 18 9.931 -4.509 -6.127 137 HB THR 18 HB THR 18 9.709 -2.237 -7.013 138 HG1 THR 18 HG1 THR 18 8.172 -3.825 -7.660 139 HG21 THR 18 3HG2 THR 18 11.837 -2.135 -8.242 140 HG22 THR 18 1HG2 THR 18 10.472 -1.683 -9.263 141 HG23 THR 18 2HG2 THR 18 11.202 -3.281 -9.423 142 H LEU 19 H LEU 19 12.944 -5.049 -7.439 143 HA LEU 19 HA LEU 19 13.826 -6.756 -8.658 144 HB2 LEU 19 1HB LEU 19 11.120 -8.022 -8.845 145 HB3 LEU 19 2HB LEU 19 12.703 -8.793 -8.780 146 HG LEU 19 HG LEU 19 11.493 -7.336 -6.439 147 HD11 LEU 19 1HD1 LEU 19 10.349 -9.534 -7.509 148 HD12 LEU 19 2HD1 LEU 19 10.337 -9.150 -5.788 149 HD13 LEU 19 3HD1 LEU 19 11.532 -10.276 -6.432 150 HD21 LEU 19 3HD2 LEU 19 13.120 -8.652 -5.169 151 HD22 LEU 19 1HD2 LEU 19 13.910 -7.632 -6.371 152 HD23 LEU 19 2HD2 LEU 19 13.719 -9.360 -6.670 153 H SER 20 H SER 20 13.093 -8.186 -10.789 154 HA SER 20 HA SER 20 12.818 -6.181 -12.827 155 HB2 SER 20 1HB SER 20 13.198 -9.172 -12.883 156 HB3 SER 20 2HB SER 20 12.938 -8.240 -14.357 157 HG SER 20 HG SER 20 15.009 -7.789 -12.467 158 H GLU 21 H GLU 21 11.291 -6.443 -14.655 159 HA GLU 21 HA GLU 21 8.646 -6.314 -13.827 160 HB2 GLU 21 1HB GLU 21 8.092 -6.589 -16.270 161 HB3 GLU 21 2HB GLU 21 9.245 -5.315 -15.901 162 HG2 GLU 21 1HG GLU 21 11.079 -6.716 -16.604 163 HG3 GLU 21 2HG GLU 21 9.978 -8.065 -16.876 164 H ASP 22 H ASP 22 10.499 -9.052 -15.032 165 HA ASP 22 HA ASP 22 8.410 -10.861 -15.436 166 HB2 ASP 22 1HB ASP 22 11.168 -11.567 -14.422 167 HB3 ASP 22 2HB ASP 22 10.073 -12.594 -15.344 168 H ASP 23 H ASP 23 10.222 -10.054 -12.514 169 HA ASP 23 HA ASP 23 8.723 -11.979 -10.938 170 HB2 ASP 23 1HB ASP 23 10.802 -9.950 -10.091 171 HB3 ASP 23 2HB ASP 23 10.126 -11.214 -9.068 172 H THR 24 H THR 24 8.147 -10.923 -8.621 173 HA THR 24 HA THR 24 6.781 -8.373 -8.963 174 HB THR 24 HB THR 24 4.759 -9.671 -7.751 175 HG1 THR 24 HG1 THR 24 5.824 -11.550 -9.615 176 HG21 THR 24 3HG2 THR 24 4.167 -10.074 -10.431 177 HG22 THR 24 1HG2 THR 24 5.346 -8.763 -10.446 178 HG23 THR 24 2HG2 THR 24 3.865 -8.606 -9.502 179 H VAL 25 H VAL 25 5.539 -7.883 -6.803 180 HA VAL 25 HA VAL 25 7.483 -7.807 -4.748 181 HB VAL 25 HB VAL 25 4.538 -7.149 -4.715 182 HG11 VAL 25 1HG1 VAL 25 6.609 -6.957 -2.553 183 HG12 VAL 25 2HG1 VAL 25 5.210 -5.882 -2.586 184 HG13 VAL 25 3HG1 VAL 25 4.980 -7.627 -2.472 185 HG21 VAL 25 3HG2 VAL 25 5.386 -4.819 -4.642 186 HG22 VAL 25 1HG2 VAL 25 7.023 -5.445 -4.841 187 HG23 VAL 25 2HG2 VAL 25 5.829 -5.676 -6.118 188 H LEU 26 H LEU 26 4.905 -10.005 -5.498 189 HA LEU 26 HA LEU 26 4.458 -11.172 -3.005 190 HB2 LEU 26 1HB LEU 26 3.491 -12.990 -4.158 191 HB3 LEU 26 2HB LEU 26 3.157 -11.548 -5.115 192 HG LEU 26 HG LEU 26 5.347 -12.355 -6.388 193 HD11 LEU 26 1HD1 LEU 26 4.990 -14.446 -4.608 194 HD12 LEU 26 2HD1 LEU 26 5.988 -14.458 -6.061 195 HD13 LEU 26 3HD1 LEU 26 4.329 -15.051 -6.127 196 HD21 LEU 26 3HD2 LEU 26 3.330 -11.990 -7.556 197 HD22 LEU 26 1HD2 LEU 26 2.520 -13.322 -6.729 198 HD23 LEU 26 2HD2 LEU 26 3.791 -13.657 -7.906 199 H ASP 27 H ASP 27 7.003 -11.704 -5.364 200 HA ASP 27 HA ASP 27 8.078 -14.057 -4.236 201 HB2 ASP 27 1HB ASP 27 9.023 -11.986 -6.154 202 HB3 ASP 27 2HB ASP 27 10.242 -13.018 -5.410 203 H LEU 28 H LEU 28 9.537 -10.803 -4.147 204 HA LEU 28 HA LEU 28 11.387 -11.284 -2.161 205 HB2 LEU 28 1HB LEU 28 11.684 -8.990 -2.012 206 HB3 LEU 28 2HB LEU 28 11.048 -9.218 -3.639 207 HG LEU 28 HG LEU 28 8.752 -8.710 -2.399 208 HD11 LEU 28 1HD1 LEU 28 9.664 -6.643 -0.875 209 HD12 LEU 28 2HD1 LEU 28 10.832 -7.911 -0.504 210 HD13 LEU 28 3HD1 LEU 28 9.110 -8.197 -0.251 211 HD21 LEU 28 3HD2 LEU 28 8.788 -6.809 -3.595 212 HD22 LEU 28 1HD2 LEU 28 10.341 -7.413 -4.175 213 HD23 LEU 28 2HD2 LEU 28 10.287 -6.248 -2.852 214 H LYS 29 H LYS 29 7.977 -10.517 -1.861 215 HA LYS 29 HA LYS 29 7.843 -9.862 0.837 216 HB2 LYS 29 1HB LYS 29 5.972 -10.850 -1.205 217 HB3 LYS 29 2HB LYS 29 5.515 -11.245 0.447 218 HG2 LYS 29 1HG LYS 29 6.009 -8.709 0.866 219 HG3 LYS 29 2HG LYS 29 5.746 -8.588 -0.875 220 HD2 LYS 29 1HD LYS 29 3.818 -9.779 1.119 221 HD3 LYS 29 2HD LYS 29 3.684 -8.178 0.389 222 HE2 LYS 29 1HE LYS 29 3.650 -9.322 -1.851 223 HE3 LYS 29 2HE LYS 29 3.513 -10.853 -0.986 224 HZ1 LYS 29 3HZ LYS 29 1.542 -8.728 -1.326 225 HZ2 LYS 29 1HZ LYS 29 1.541 -9.545 0.156 226 HZ3 LYS 29 2HZ LYS 29 1.328 -10.405 -1.285 227 H GLN 30 H GLN 30 7.448 -13.071 -0.663 228 HA GLN 30 HA GLN 30 7.148 -14.519 1.708 229 HB2 GLN 30 1HB GLN 30 8.208 -15.318 -1.000 230 HB3 GLN 30 2HB GLN 30 7.987 -16.470 0.310 231 HG2 GLN 30 1HG GLN 30 5.564 -15.559 0.370 232 HG3 GLN 30 2HG GLN 30 5.934 -14.964 -1.248 233 HE21 GLN 30 2HE2 GLN 30 5.283 -17.720 0.709 234 HE22 GLN 30 1HE2 GLN 30 5.216 -18.882 -0.568 235 H PHE 31 H PHE 31 10.023 -13.436 0.013 236 HA PHE 31 HA PHE 31 11.900 -14.995 1.437 237 HB2 PHE 31 1HB PHE 31 12.002 -12.602 -0.319 238 HB3 PHE 31 2HB PHE 31 13.384 -12.872 0.737 239 HD1 PHE 31 HD2 PHE 31 11.179 -15.012 -1.387 240 HD2 PHE 31 HD1 PHE 31 15.141 -13.897 -0.302 241 HE1 PHE 31 HE2 PHE 31 12.075 -16.652 -2.988 242 HE2 PHE 31 HE1 PHE 31 16.043 -15.535 -1.902 243 HZ PHE 31 HZ PHE 31 14.510 -16.915 -3.247 244 H LEU 32 H LEU 32 10.479 -11.826 2.024 245 HA LEU 32 HA LEU 32 12.157 -11.125 4.200 246 HB2 LEU 32 1HB LEU 32 9.395 -10.189 3.443 247 HB3 LEU 32 2HB LEU 32 10.376 -9.464 4.715 248 HG LEU 32 HG LEU 32 10.938 -9.469 1.753 249 HD11 LEU 32 1HD1 LEU 32 9.950 -7.486 1.735 250 HD12 LEU 32 2HD1 LEU 32 10.994 -6.916 3.037 251 HD13 LEU 32 3HD1 LEU 32 9.477 -7.732 3.416 252 HD21 LEU 32 3HD2 LEU 32 12.853 -7.921 2.578 253 HD22 LEU 32 1HD2 LEU 32 13.071 -9.670 2.619 254 HD23 LEU 32 2HD2 LEU 32 12.668 -8.798 4.098 255 H LYS 33 H LYS 33 9.152 -12.908 3.926 256 HA LYS 33 HA LYS 33 8.550 -12.953 6.706 257 HB2 LYS 33 1HB LYS 33 7.681 -14.902 4.565 258 HB3 LYS 33 2HB LYS 33 6.926 -14.673 6.137 259 HG2 LYS 33 1HG LYS 33 5.973 -12.662 5.536 260 HG3 LYS 33 2HG LYS 33 7.146 -12.371 4.250 261 HD2 LYS 33 1HD LYS 33 5.444 -13.021 2.917 262 HD3 LYS 33 2HD LYS 33 5.997 -14.641 3.349 263 HE2 LYS 33 1HE LYS 33 4.372 -14.294 5.387 264 HE3 LYS 33 2HE LYS 33 3.620 -13.118 4.310 265 HZ1 LYS 33 3HZ LYS 33 2.798 -15.537 4.275 266 HZ2 LYS 33 1HZ LYS 33 4.189 -15.850 3.363 267 HZ3 LYS 33 2HZ LYS 33 3.039 -14.745 2.799 268 H THR 34 H THR 34 10.472 -14.965 4.582 269 HA THR 34 HA THR 34 10.879 -16.987 6.626 270 HB THR 34 HB THR 34 12.233 -18.154 4.985 271 HG1 THR 34 HG1 THR 34 11.778 -15.983 3.204 272 HG21 THR 34 3HG2 THR 34 9.931 -18.601 4.713 273 HG22 THR 34 1HG2 THR 34 10.533 -18.269 3.089 274 HG23 THR 34 2HG2 THR 34 9.633 -17.031 3.966 275 H LEU 35 H LEU 35 12.494 -14.196 5.330 276 HA LEU 35 HA LEU 35 15.044 -14.847 6.528 277 HB2 LEU 35 1HB LEU 35 14.923 -13.608 4.420 278 HB3 LEU 35 2HB LEU 35 14.067 -12.302 5.238 279 HG LEU 35 HG LEU 35 16.579 -12.025 4.732 280 HD11 LEU 35 1HD1 LEU 35 16.751 -10.498 6.448 281 HD12 LEU 35 2HD1 LEU 35 15.925 -11.541 7.605 282 HD13 LEU 35 3HD1 LEU 35 15.005 -10.721 6.343 283 HD21 LEU 35 3HD2 LEU 35 18.139 -13.084 6.034 284 HD22 LEU 35 1HD2 LEU 35 16.941 -14.367 5.869 285 HD23 LEU 35 2HD2 LEU 35 16.998 -13.398 7.342 286 H THR 36 H THR 36 12.445 -12.492 7.080 287 HA THR 36 HA THR 36 13.696 -11.610 9.555 288 HB THR 36 HB THR 36 12.138 -9.859 9.623 289 HG1 THR 36 HG1 THR 36 10.122 -10.290 9.185 290 HG21 THR 36 3HG2 THR 36 12.620 -10.488 6.709 291 HG22 THR 36 1HG2 THR 36 13.680 -9.565 7.774 292 HG23 THR 36 2HG2 THR 36 12.097 -8.924 7.332 293 H GLY 37 H GLY 37 10.822 -13.366 8.477 294 HA2 GLY 37 1HA GLY 37 9.278 -14.618 9.631 295 HA3 GLY 37 2HA GLY 37 10.632 -15.037 10.670 296 H VAL 38 H VAL 38 9.621 -11.729 10.394 297 HA VAL 38 HA VAL 38 8.209 -11.917 12.967 298 HB VAL 38 HB VAL 38 10.599 -11.132 13.250 299 HG11 VAL 38 1HG1 VAL 38 9.586 -8.590 11.994 300 HG12 VAL 38 2HG1 VAL 38 11.220 -8.943 12.559 301 HG13 VAL 38 3HG1 VAL 38 10.579 -9.770 11.138 302 HG21 VAL 38 3HG2 VAL 38 10.028 -9.670 14.968 303 HG22 VAL 38 1HG2 VAL 38 8.671 -8.991 14.069 304 HG23 VAL 38 2HG2 VAL 38 8.557 -10.617 14.743 305 H LEU 39 H LEU 39 7.930 -11.160 9.846 306 HA LEU 39 HA LEU 39 6.811 -8.584 9.788 307 HB2 LEU 39 1HB LEU 39 6.211 -10.956 8.027 308 HB3 LEU 39 2HB LEU 39 5.785 -9.284 7.671 309 HG LEU 39 HG LEU 39 8.517 -10.540 7.714 310 HD11 LEU 39 1HD1 LEU 39 8.236 -9.027 5.450 311 HD12 LEU 39 2HD1 LEU 39 6.611 -9.670 5.685 312 HD13 LEU 39 3HD1 LEU 39 7.984 -10.769 5.558 313 HD21 LEU 39 3HD2 LEU 39 7.736 -7.762 8.235 314 HD22 LEU 39 1HD2 LEU 39 8.939 -7.961 6.961 315 HD23 LEU 39 2HD2 LEU 39 9.250 -8.602 8.575 316 HA PRO 40 HA PRO 40 2.551 -10.848 10.317 317 HB2 PRO 40 1HB PRO 40 2.649 -13.349 11.369 318 HB3 PRO 40 2HB PRO 40 2.697 -13.035 9.630 319 HG2 PRO 40 1HG PRO 40 4.950 -13.614 11.514 320 HG3 PRO 40 2HG PRO 40 4.669 -14.242 9.880 321 HD2 PRO 40 1HD PRO 40 6.409 -12.230 10.388 322 HD3 PRO 40 2HD PRO 40 5.493 -12.340 8.871 323 H GLU 41 H GLU 41 5.186 -10.813 12.475 324 HA GLU 41 HA GLU 41 3.509 -11.021 14.854 325 HB2 GLU 41 1HB GLU 41 6.491 -10.763 14.470 326 HB3 GLU 41 2HB GLU 41 5.721 -10.718 16.050 327 HG2 GLU 41 1HG GLU 41 5.290 -13.010 14.173 328 HG3 GLU 41 2HG GLU 41 6.696 -12.937 15.233 329 H ARG 42 H ARG 42 6.173 -8.794 14.091 330 HA ARG 42 HA ARG 42 4.407 -6.515 14.565 331 HB2 ARG 42 1HB ARG 42 7.050 -6.756 16.000 332 HB3 ARG 42 2HB ARG 42 5.814 -5.524 16.221 333 HG2 ARG 42 1HG ARG 42 4.300 -7.223 17.136 334 HG3 ARG 42 2HG ARG 42 5.568 -8.436 16.946 335 HD2 ARG 42 1HD ARG 42 7.015 -7.049 18.432 336 HD3 ARG 42 2HD ARG 42 5.630 -5.995 18.713 337 HE ARG 42 HE ARG 42 4.989 -8.702 19.280 338 HH11 ARG 42 1HH1 ARG 42 6.676 -5.932 20.544 339 HH12 ARG 42 2HH1 ARG 42 6.488 -6.409 22.199 340 HH21 ARG 42 1HH2 ARG 42 4.736 -9.342 21.454 341 HH22 ARG 42 2HH2 ARG 42 5.385 -8.349 22.716 342 H GLN 43 H GLN 43 4.619 -5.429 12.716 343 HA GLN 43 HA GLN 43 7.343 -4.899 11.731 344 HB2 GLN 43 1HB GLN 43 6.352 -6.413 10.170 345 HB3 GLN 43 2HB GLN 43 4.847 -5.504 10.149 346 HG2 GLN 43 1HG GLN 43 5.613 -4.527 8.314 347 HG3 GLN 43 2HG GLN 43 6.722 -3.647 9.365 348 HE21 GLN 43 2HE2 GLN 43 8.618 -5.310 10.039 349 HE22 GLN 43 1HE2 GLN 43 9.430 -5.976 8.668 350 H LYS 44 H LYS 44 7.833 -2.825 11.910 351 HA LYS 44 HA LYS 44 5.789 -0.817 11.290 352 HB2 LYS 44 1HB LYS 44 7.649 -0.456 13.629 353 HB3 LYS 44 2HB LYS 44 6.207 0.468 13.227 354 HG2 LYS 44 1HG LYS 44 5.254 -0.786 14.817 355 HG3 LYS 44 2HG LYS 44 5.149 -2.001 13.540 356 HD2 LYS 44 1HD LYS 44 6.199 -3.286 15.077 357 HD3 LYS 44 2HD LYS 44 7.637 -2.490 14.432 358 HE2 LYS 44 1HE LYS 44 7.659 -2.438 16.858 359 HE3 LYS 44 2HE LYS 44 7.485 -0.807 16.213 360 HZ1 LYS 44 3HZ LYS 44 5.059 -2.307 16.885 361 HZ2 LYS 44 1HZ LYS 44 5.350 -0.641 16.951 362 HZ3 LYS 44 2HZ LYS 44 5.974 -1.657 18.151 363 H LEU 45 H LEU 45 6.658 -0.019 9.462 364 HA LEU 45 HA LEU 45 9.475 0.840 9.548 365 HB2 LEU 45 1HB LEU 45 8.037 0.533 6.967 366 HB3 LEU 45 2HB LEU 45 9.745 0.311 7.339 367 HG LEU 45 HG LEU 45 7.477 -1.614 7.794 368 HD11 LEU 45 1HD1 LEU 45 9.592 -1.295 5.840 369 HD12 LEU 45 2HD1 LEU 45 8.165 -2.328 5.803 370 HD13 LEU 45 3HD1 LEU 45 9.632 -2.881 6.611 371 HD21 LEU 45 3HD2 LEU 45 9.934 -2.782 8.533 372 HD22 LEU 45 1HD2 LEU 45 8.531 -2.460 9.553 373 HD23 LEU 45 2HD2 LEU 45 9.809 -1.254 9.405 374 H LEU 46 H LEU 46 9.652 2.559 7.521 375 HA LEU 46 HA LEU 46 8.006 4.790 8.431 376 HB2 LEU 46 1HB LEU 46 9.617 6.082 6.907 377 HB3 LEU 46 2HB LEU 46 10.237 5.409 8.412 378 HG LEU 46 HG LEU 46 11.272 3.577 7.187 379 HD11 LEU 46 1HD1 LEU 46 11.326 3.699 4.690 380 HD12 LEU 46 2HD1 LEU 46 10.040 4.903 4.780 381 HD13 LEU 46 3HD1 LEU 46 9.759 3.266 5.374 382 HD21 LEU 46 3HD2 LEU 46 12.940 4.902 5.919 383 HD22 LEU 46 1HD2 LEU 46 12.605 5.551 7.525 384 HD23 LEU 46 2HD2 LEU 46 11.903 6.318 6.100 385 H GLY 47 H GLY 47 6.656 2.863 6.895 386 HA2 GLY 47 1HA GLY 47 4.945 3.950 5.311 387 HA3 GLY 47 2HA GLY 47 6.346 4.170 4.273 388 H LEU 48 H LEU 48 7.681 1.874 4.348 389 HA LEU 48 HA LEU 48 6.153 0.157 2.726 390 HB2 LEU 48 1HB LEU 48 8.663 0.423 2.764 391 HB3 LEU 48 2HB LEU 48 8.664 -0.590 4.207 392 HG LEU 48 HG LEU 48 9.182 -1.645 1.896 393 HD11 LEU 48 1HD1 LEU 48 7.173 -2.886 3.769 394 HD12 LEU 48 2HD1 LEU 48 8.924 -2.898 3.971 395 HD13 LEU 48 3HD1 LEU 48 8.188 -3.752 2.616 396 HD21 LEU 48 3HD2 LEU 48 7.440 -2.191 0.495 397 HD22 LEU 48 1HD2 LEU 48 6.959 -0.580 1.030 398 HD23 LEU 48 2HD2 LEU 48 6.222 -2.008 1.758 399 H LYS 49 H LYS 49 4.909 -1.561 3.160 400 HA LYS 49 HA LYS 49 3.713 -3.110 4.318 401 HB2 LYS 49 1HB LYS 49 6.384 -3.162 5.605 402 HB3 LYS 49 2HB LYS 49 5.071 -3.921 6.496 403 HG2 LYS 49 1HG LYS 49 5.861 -4.586 3.667 404 HG3 LYS 49 2HG LYS 49 6.305 -5.514 5.101 405 HD2 LYS 49 1HD LYS 49 3.711 -5.533 5.504 406 HD3 LYS 49 2HD LYS 49 3.652 -5.226 3.767 407 HE2 LYS 49 1HE LYS 49 5.304 -7.453 4.914 408 HE3 LYS 49 2HE LYS 49 3.588 -7.664 4.570 409 HZ1 LYS 49 3HZ LYS 49 4.764 -8.398 2.679 410 HZ2 LYS 49 1HZ LYS 49 5.754 -7.026 2.650 411 HZ3 LYS 49 2HZ LYS 49 4.113 -6.894 2.259 412 H VAL 50 H VAL 50 2.348 -1.164 4.787 413 HA VAL 50 HA VAL 50 2.463 -0.205 7.534 414 HB VAL 50 HB VAL 50 1.991 1.444 5.820 415 HG11 VAL 50 1HG1 VAL 50 0.989 0.051 4.129 416 HG12 VAL 50 2HG1 VAL 50 -0.401 -0.272 5.168 417 HG13 VAL 50 3HG1 VAL 50 -0.127 1.353 4.539 418 HG21 VAL 50 3HG2 VAL 50 0.434 2.577 7.024 419 HG22 VAL 50 1HG2 VAL 50 -0.676 1.208 7.082 420 HG23 VAL 50 2HG2 VAL 50 0.719 1.259 8.160 421 H LYS 51 H LYS 51 0.894 -0.555 9.079 422 HA LYS 51 HA LYS 51 -0.498 -3.036 8.932 423 HB2 LYS 51 1HB LYS 51 -1.191 -2.601 11.177 424 HB3 LYS 51 2HB LYS 51 0.466 -2.033 11.023 425 HG2 LYS 51 1HG LYS 51 -0.365 -0.228 12.078 426 HG3 LYS 51 2HG LYS 51 -0.832 0.237 10.440 427 HD2 LYS 51 1HD LYS 51 -2.972 -1.226 11.085 428 HD3 LYS 51 2HD LYS 51 -2.499 -0.705 12.704 429 HE2 LYS 51 1HE LYS 51 -2.349 1.650 11.599 430 HE3 LYS 51 2HE LYS 51 -3.381 0.933 10.362 431 HZ1 LYS 51 3HZ LYS 51 -4.065 0.790 13.236 432 HZ2 LYS 51 1HZ LYS 51 -5.079 0.558 11.901 433 HZ3 LYS 51 2HZ LYS 51 -4.518 2.108 12.278 434 H GLY 52 H GLY 52 -2.621 -3.472 8.581 435 HA2 GLY 52 1HA GLY 52 -4.895 -3.044 8.280 436 HA3 GLY 52 2HA GLY 52 -4.573 -1.328 8.479 437 H LYS 53 H LYS 53 -2.313 -2.117 6.361 438 HA LYS 53 HA LYS 53 -3.921 -2.350 3.968 439 HB2 LYS 53 1HB LYS 53 -2.475 0.192 4.688 440 HB3 LYS 53 2HB LYS 53 -2.842 -0.228 3.020 441 HG2 LYS 53 1HG LYS 53 -5.273 -0.502 3.920 442 HG3 LYS 53 2HG LYS 53 -4.689 0.517 5.238 443 HD2 LYS 53 1HD LYS 53 -5.524 2.071 3.734 444 HD3 LYS 53 2HD LYS 53 -3.805 2.040 3.332 445 HE2 LYS 53 1HE LYS 53 -4.506 0.208 1.629 446 HE3 LYS 53 2HE LYS 53 -6.124 0.876 1.841 447 HZ1 LYS 53 3HZ LYS 53 -4.926 1.872 -0.033 448 HZ2 LYS 53 1HZ LYS 53 -3.738 2.444 1.026 449 HZ3 LYS 53 2HZ LYS 53 -5.324 3.020 1.143 450 HA PRO 54 HA PRO 54 0.332 -4.208 3.773 451 HB2 PRO 54 1HB PRO 54 -0.510 -6.618 2.851 452 HB3 PRO 54 2HB PRO 54 -0.429 -6.223 4.571 453 HG2 PRO 54 1HG PRO 54 -2.792 -6.208 2.733 454 HG3 PRO 54 2HG PRO 54 -2.672 -6.813 4.395 455 HD2 PRO 54 1HD PRO 54 -3.762 -4.408 3.795 456 HD3 PRO 54 2HD PRO 54 -2.886 -4.709 5.310 457 H ALA 55 H ALA 55 1.576 -4.334 1.958 458 HA ALA 55 HA ALA 55 0.797 -3.145 -0.405 459 HB1 ALA 55 1HB ALA 55 2.975 -5.206 -0.073 460 HB2 ALA 55 2HB ALA 55 2.834 -4.035 -1.386 461 HB3 ALA 55 3HB ALA 55 3.134 -3.481 0.262 462 H GLU 56 H GLU 56 0.912 -4.248 -2.621 463 HA GLU 56 HA GLU 56 -0.814 -6.634 -2.549 464 HB2 GLU 56 1HB GLU 56 -1.735 -4.462 -3.515 465 HB3 GLU 56 2HB GLU 56 -0.598 -4.684 -4.837 466 HG2 GLU 56 1HG GLU 56 -1.694 -6.557 -5.641 467 HG3 GLU 56 2HG GLU 56 -2.508 -6.861 -4.107 468 H ASN 57 H ASN 57 -0.481 -8.282 -4.097 469 HA ASN 57 HA ASN 57 2.260 -8.811 -4.654 470 HB2 ASN 57 1HB ASN 57 1.404 -10.858 -5.757 471 HB3 ASN 57 2HB ASN 57 0.728 -10.632 -4.146 472 HD21 ASN 57 2HD2 ASN 57 -1.433 -10.270 -3.904 473 HD22 ASN 57 1HD2 ASN 57 -2.566 -10.374 -5.205 474 H ASP 58 H ASP 58 -0.487 -7.750 -6.585 475 HA ASP 58 HA ASP 58 0.531 -8.052 -9.139 476 HB2 ASP 58 1HB ASP 58 -1.783 -7.164 -8.298 477 HB3 ASP 58 2HB ASP 58 -1.014 -5.584 -8.423 478 H VAL 59 H VAL 59 1.378 -5.746 -6.683 479 HA VAL 59 HA VAL 59 2.522 -3.699 -8.144 480 HB VAL 59 HB VAL 59 3.551 -4.863 -5.552 481 HG11 VAL 59 1HG1 VAL 59 4.320 -2.426 -5.265 482 HG12 VAL 59 2HG1 VAL 59 5.265 -3.479 -6.320 483 HG13 VAL 59 3HG1 VAL 59 4.138 -2.313 -7.015 484 HG21 VAL 59 3HG2 VAL 59 2.053 -2.389 -5.386 485 HG22 VAL 59 1HG2 VAL 59 1.093 -3.695 -6.079 486 HG23 VAL 59 2HG2 VAL 59 1.842 -3.896 -4.496 487 H LYS 60 H LYS 60 4.418 -3.369 -9.194 488 HA LYS 60 HA LYS 60 6.641 -5.163 -8.983 489 HB2 LYS 60 1HB LYS 60 6.584 -5.743 -11.460 490 HB3 LYS 60 2HB LYS 60 5.435 -6.589 -10.431 491 HG2 LYS 60 1HG LYS 60 3.700 -5.793 -11.565 492 HG3 LYS 60 2HG LYS 60 4.319 -4.141 -11.498 493 HD2 LYS 60 1HD LYS 60 5.140 -4.253 -13.579 494 HD3 LYS 60 2HD LYS 60 5.821 -5.860 -13.315 495 HE2 LYS 60 1HE LYS 60 4.181 -6.042 -15.037 496 HE3 LYS 60 2HE LYS 60 3.517 -6.791 -13.586 497 HZ1 LYS 60 3HZ LYS 60 2.910 -3.979 -13.899 498 HZ2 LYS 60 1HZ LYS 60 1.907 -5.259 -13.434 499 HZ3 LYS 60 2HZ LYS 60 2.223 -4.984 -15.073 500 H LEU 61 H LEU 61 8.175 -4.617 -11.027 501 HA LEU 61 HA LEU 61 8.963 -1.949 -10.673 502 HB2 LEU 61 1HB LEU 61 10.529 -3.660 -11.340 503 HB3 LEU 61 2HB LEU 61 9.653 -3.919 -12.847 504 HG LEU 61 HG LEU 61 10.251 -1.413 -13.289 505 HD11 LEU 61 1HD1 LEU 61 12.066 -2.186 -11.050 506 HD12 LEU 61 2HD1 LEU 61 11.237 -0.659 -11.351 507 HD13 LEU 61 3HD1 LEU 61 12.646 -1.102 -12.315 508 HD21 LEU 61 3HD2 LEU 61 12.389 -3.533 -13.441 509 HD22 LEU 61 1HD2 LEU 61 12.224 -2.107 -14.466 510 HD23 LEU 61 2HD2 LEU 61 11.030 -3.402 -14.558 511 H GLY 62 H GLY 62 6.910 -3.481 -13.069 512 HA2 GLY 62 1HA GLY 62 6.805 -1.147 -14.766 513 HA3 GLY 62 2HA GLY 62 5.851 -2.612 -14.942 514 H ALA 63 H ALA 63 5.554 -1.673 -11.800 515 HA ALA 63 HA ALA 63 3.116 -0.121 -12.386 516 HB1 ALA 63 1HB ALA 63 3.422 -1.732 -9.886 517 HB2 ALA 63 2HB ALA 63 1.953 -1.223 -10.720 518 HB3 ALA 63 3HB ALA 63 2.947 -2.514 -11.394 519 H LEU 64 H LEU 64 6.128 -0.151 -10.818 520 HA LEU 64 HA LEU 64 5.360 2.152 -9.150 521 HB2 LEU 64 1HB LEU 64 7.810 0.439 -8.817 522 HB3 LEU 64 2HB LEU 64 7.172 1.637 -7.693 523 HG LEU 64 HG LEU 64 5.451 -0.694 -8.348 524 HD11 LEU 64 1HD1 LEU 64 8.090 -1.131 -7.608 525 HD12 LEU 64 2HD1 LEU 64 6.752 -2.273 -7.483 526 HD13 LEU 64 3HD1 LEU 64 7.179 -1.261 -6.103 527 HD21 LEU 64 3HD2 LEU 64 4.833 1.235 -6.836 528 HD22 LEU 64 1HD2 LEU 64 6.046 0.624 -5.710 529 HD23 LEU 64 2HD2 LEU 64 4.660 -0.378 -6.143 530 H LYS 65 H LYS 65 8.217 0.880 -10.870 531 HA LYS 65 HA LYS 65 9.795 1.896 -12.154 532 HB2 LYS 65 1HB LYS 65 7.933 4.242 -12.458 533 HB3 LYS 65 2HB LYS 65 9.143 3.655 -13.591 534 HG2 LYS 65 1HG LYS 65 7.423 1.508 -13.269 535 HG3 LYS 65 2HG LYS 65 6.363 2.919 -13.306 536 HD2 LYS 65 1HD LYS 65 8.123 3.458 -15.333 537 HD3 LYS 65 2HD LYS 65 7.958 1.704 -15.438 538 HE2 LYS 65 1HE LYS 65 6.284 2.630 -16.838 539 HE3 LYS 65 2HE LYS 65 5.465 2.048 -15.390 540 HZ1 LYS 65 3HZ LYS 65 5.107 4.478 -16.419 541 HZ2 LYS 65 1HZ LYS 65 6.337 4.812 -15.306 542 HZ3 LYS 65 2HZ LYS 65 4.888 4.117 -14.780 543 H LEU 66 H LEU 66 9.634 2.386 -9.264 544 HA LEU 66 HA LEU 66 10.653 5.102 -8.975 545 HB2 LEU 66 1HB LEU 66 9.657 2.997 -7.149 546 HB3 LEU 66 2HB LEU 66 10.879 4.093 -6.508 547 HG LEU 66 HG LEU 66 8.567 5.356 -7.848 548 HD11 LEU 66 1HD1 LEU 66 7.640 3.412 -6.511 549 HD12 LEU 66 2HD1 LEU 66 7.031 5.015 -6.099 550 HD13 LEU 66 3HD1 LEU 66 8.242 4.243 -5.076 551 HD21 LEU 66 3HD2 LEU 66 9.431 7.098 -6.783 552 HD22 LEU 66 1HD2 LEU 66 10.659 6.056 -6.065 553 HD23 LEU 66 2HD2 LEU 66 9.125 6.313 -5.233 554 H LYS 67 H LYS 67 12.647 5.443 -7.691 555 HA LYS 67 HA LYS 67 14.716 3.566 -8.575 556 HB2 LYS 67 1HB LYS 67 16.294 5.390 -8.153 557 HB3 LYS 67 2HB LYS 67 15.004 5.907 -9.230 558 HG2 LYS 67 1HG LYS 67 13.885 6.783 -7.064 559 HG3 LYS 67 2HG LYS 67 15.511 6.668 -6.388 560 HD2 LYS 67 1HD LYS 67 14.758 8.204 -8.875 561 HD3 LYS 67 2HD LYS 67 15.021 8.912 -7.280 562 HE2 LYS 67 1HE LYS 67 17.333 8.006 -7.323 563 HE3 LYS 67 2HE LYS 67 17.047 7.452 -8.972 564 HZ1 LYS 67 3HZ LYS 67 18.199 9.581 -8.920 565 HZ2 LYS 67 1HZ LYS 67 16.918 10.277 -8.061 566 HZ3 LYS 67 2HZ LYS 67 16.679 9.736 -9.646 567 HA PRO 68 HA PRO 68 15.619 2.080 -4.545 568 HB2 PRO 68 1HB PRO 68 18.316 1.793 -4.661 569 HB3 PRO 68 2HB PRO 68 17.199 0.726 -5.519 570 HG2 PRO 68 1HG PRO 68 18.756 3.064 -6.553 571 HG3 PRO 68 2HG PRO 68 18.490 1.479 -7.301 572 HD2 PRO 68 1HD PRO 68 17.089 3.682 -8.019 573 HD3 PRO 68 2HD PRO 68 16.391 2.050 -8.063 574 H ASN 69 H ASN 69 16.670 5.117 -5.579 575 HA ASN 69 HA ASN 69 18.328 5.899 -3.433 576 HB2 ASN 69 1HB ASN 69 18.015 7.080 -5.672 577 HB3 ASN 69 2HB ASN 69 16.531 7.749 -4.999 578 HD21 ASN 69 2HD2 ASN 69 19.879 8.061 -5.253 579 HD22 ASN 69 1HD2 ASN 69 20.093 9.356 -4.130 580 H THR 70 H THR 70 14.904 5.558 -3.745 581 HA THR 70 HA THR 70 13.894 7.303 -1.875 582 HB THR 70 HB THR 70 12.825 4.521 -1.834 583 HG1 THR 70 HG1 THR 70 12.489 6.239 -4.080 584 HG21 THR 70 3HG2 THR 70 10.702 5.651 -1.877 585 HG22 THR 70 1HG2 THR 70 11.476 7.189 -2.255 586 HG23 THR 70 2HG2 THR 70 11.724 6.440 -0.677 587 H LYS 71 H LYS 71 15.265 4.078 -1.306 588 HA LYS 71 HA LYS 71 16.128 3.099 0.558 589 HB2 LYS 71 1HB LYS 71 16.529 5.974 0.997 590 HB3 LYS 71 2HB LYS 71 16.485 5.026 2.478 591 HG2 LYS 71 1HG LYS 71 18.171 4.009 0.267 592 HG3 LYS 71 2HG LYS 71 18.723 5.453 1.120 593 HD2 LYS 71 1HD LYS 71 18.322 4.139 3.266 594 HD3 LYS 71 2HD LYS 71 18.186 2.712 2.236 595 HE2 LYS 71 1HE LYS 71 20.563 4.562 2.419 596 HE3 LYS 71 2HE LYS 71 20.448 2.946 3.114 597 HZ1 LYS 71 3HZ LYS 71 19.868 2.430 0.573 598 HZ2 LYS 71 1HZ LYS 71 21.442 2.381 1.193 599 HZ3 LYS 71 2HZ LYS 71 20.903 3.752 0.363 600 H ILE 72 H ILE 72 15.373 2.117 2.404 601 HA ILE 72 HA ILE 72 12.928 3.211 3.612 602 HB ILE 72 HB ILE 72 12.200 1.502 2.045 603 HG12 ILE 72 1HG1 ILE 72 11.395 1.710 4.589 604 HG13 ILE 72 2HG1 ILE 72 10.710 0.529 3.479 605 HG21 ILE 72 1HG2 ILE 72 12.908 -0.901 2.550 606 HG22 ILE 72 2HG2 ILE 72 14.070 0.133 1.719 607 HG23 ILE 72 3HG2 ILE 72 14.249 -0.185 3.445 608 HD11 ILE 72 3HD1 ILE 72 11.849 -1.231 4.450 609 HD12 ILE 72 1HD1 ILE 72 13.062 -0.178 5.177 610 HD13 ILE 72 2HD1 ILE 72 11.425 -0.223 5.833 611 H MET 73 H MET 73 12.636 2.780 5.786 612 HA MET 73 HA MET 73 14.901 1.461 7.134 613 HB2 MET 73 1HB MET 73 13.225 3.734 8.211 614 HB3 MET 73 2HB MET 73 14.627 3.007 8.985 615 HG2 MET 73 1HG MET 73 14.949 4.179 6.274 616 HG3 MET 73 2HG MET 73 14.805 5.262 7.656 617 HE1 MET 73 3HE MET 73 18.185 5.568 8.905 618 HE2 MET 73 1HE MET 73 16.591 6.231 8.545 619 HE3 MET 73 2HE MET 73 16.785 5.066 9.854 620 H MET 74 H MET 74 14.432 -0.214 8.408 621 HA MET 74 HA MET 74 11.604 -0.762 8.975 622 HB2 MET 74 1HB MET 74 14.024 -2.505 8.667 623 HB3 MET 74 2HB MET 74 12.628 -3.090 9.561 624 HG2 MET 74 1HG MET 74 11.406 -2.213 7.342 625 HG3 MET 74 2HG MET 74 12.980 -2.637 6.672 626 HE1 MET 74 3HE MET 74 11.410 -3.940 5.196 627 HE2 MET 74 1HE MET 74 12.659 -5.178 5.326 628 HE3 MET 74 2HE MET 74 10.961 -5.617 5.508 629 H MET 75 H MET 75 10.858 -1.058 11.027 630 HA MET 75 HA MET 75 12.781 -0.986 13.236 631 HB2 MET 75 1HB MET 75 11.965 1.332 12.786 632 HB3 MET 75 2HB MET 75 10.330 0.778 13.123 633 HG2 MET 75 1HG MET 75 10.812 0.392 15.387 634 HG3 MET 75 2HG MET 75 12.550 0.493 15.116 635 HE1 MET 75 3HE MET 75 9.193 2.318 15.308 636 HE2 MET 75 1HE MET 75 9.610 4.030 15.219 637 HE3 MET 75 2HE MET 75 9.703 3.024 13.773 638 H GLY 76 H GLY 76 12.095 -1.994 15.130 639 HA2 GLY 76 1HA GLY 76 10.828 -3.379 16.465 640 HA3 GLY 76 2HA GLY 76 9.424 -2.914 15.516 641 H THR 77 H THR 77 12.139 -4.189 13.826 642 HA THR 77 HA THR 77 10.604 -6.629 13.273 643 HB THR 77 HB THR 77 12.027 -6.894 11.293 644 HG1 THR 77 HG1 THR 77 13.456 -5.091 10.791 645 HG21 THR 77 3HG2 THR 77 9.960 -5.261 11.485 646 HG22 THR 77 1HG2 THR 77 10.921 -5.346 10.009 647 HG23 THR 77 2HG2 THR 77 11.188 -4.038 11.161 648 H ARG 78 H ARG 78 11.230 -7.678 15.239 649 HA ARG 78 HA ARG 78 13.945 -8.137 15.926 650 HB2 ARG 78 1HB ARG 78 11.386 -9.519 16.732 651 HB3 ARG 78 2HB ARG 78 12.958 -9.957 17.386 652 HG2 ARG 78 1HG ARG 78 13.162 -7.504 18.066 653 HG3 ARG 78 2HG ARG 78 11.430 -7.404 17.739 654 HD2 ARG 78 1HD ARG 78 10.891 -8.861 19.462 655 HD3 ARG 78 2HD ARG 78 12.507 -9.566 19.503 656 HE ARG 78 HE ARG 78 12.838 -6.937 20.227 657 HH11 ARG 78 1HH1 ARG 78 11.006 -9.654 21.404 658 HH12 ARG 78 2HH1 ARG 78 11.045 -9.132 23.055 659 HH21 ARG 78 1HH2 ARG 78 12.895 -6.239 22.398 660 HH22 ARG 78 2HH2 ARG 78 12.118 -7.188 23.619 661 H GLU 79 H GLU 79 14.769 -10.469 16.158 662 HA GLU 79 HA GLU 79 14.236 -11.917 13.647 663 HB2 GLU 79 1HB GLU 79 16.477 -10.758 13.806 664 HB3 GLU 79 2HB GLU 79 16.870 -11.859 15.119 665 HG2 GLU 79 1HG GLU 79 16.698 -13.754 13.657 666 HG3 GLU 79 2HG GLU 79 16.124 -12.734 12.339 667 H GLU 80 H GLU 80 13.164 -13.726 14.076 668 HA GLU 80 HA GLU 80 14.177 -15.513 16.146 669 HB2 GLU 80 1HB GLU 80 11.904 -15.925 17.030 670 HB3 GLU 80 2HB GLU 80 12.455 -14.281 17.319 671 HG2 GLU 80 1HG GLU 80 11.173 -13.689 15.178 672 HG3 GLU 80 2HG GLU 80 10.392 -15.255 15.385 673 H SER 81 H SER 81 13.696 -17.694 15.802 674 HA SER 81 HA SER 81 12.378 -18.316 13.242 675 HB2 SER 81 1HB SER 81 14.777 -18.528 12.913 676 HB3 SER 81 2HB SER 81 14.916 -19.543 14.349 677 HG SER 81 HG SER 81 14.330 -20.262 11.838 Start of MODEL 15 1 H1 MET 1 H MET 1 1.218 -0.055 0.204 2 HA MET 1 HA MET 1 1.530 -1.023 -2.513 3 HB2 MET 1 1HB MET 1 2.292 1.150 -3.379 4 HB3 MET 1 2HB MET 1 0.604 1.198 -2.888 5 HG2 MET 1 1HG MET 1 1.376 2.192 -0.714 6 HG3 MET 1 2HG MET 1 2.975 2.339 -1.440 7 HE1 MET 1 3HE MET 1 3.797 4.078 -2.341 8 HE2 MET 1 1HE MET 1 3.044 5.427 -3.194 9 HE3 MET 1 2HE MET 1 3.008 5.368 -1.432 10 H ALA 2 H ALA 2 3.562 -1.694 -2.893 11 HA ALA 2 HA ALA 2 5.543 -1.236 -0.784 12 HB1 ALA 2 1HB ALA 2 4.911 -3.451 -2.569 13 HB2 ALA 2 2HB ALA 2 6.637 -3.098 -2.478 14 HB3 ALA 2 3HB ALA 2 5.730 -3.450 -1.007 15 H LEU 3 H LEU 3 7.268 0.017 -1.093 16 HA LEU 3 HA LEU 3 7.782 1.021 -3.804 17 HB2 LEU 3 1HB LEU 3 8.961 2.182 -1.311 18 HB3 LEU 3 2HB LEU 3 8.661 2.959 -2.864 19 HG LEU 3 HG LEU 3 6.143 2.531 -2.211 20 HD11 LEU 3 1HD1 LEU 3 6.519 3.191 0.477 21 HD12 LEU 3 2HD1 LEU 3 7.568 1.806 0.178 22 HD13 LEU 3 3HD1 LEU 3 5.844 1.699 -0.177 23 HD21 LEU 3 3HD2 LEU 3 7.436 4.738 -0.690 24 HD22 LEU 3 1HD2 LEU 3 6.009 4.762 -1.727 25 HD23 LEU 3 2HD2 LEU 3 7.619 4.701 -2.445 26 HA PRO 4 HA PRO 4 11.586 -1.173 -4.061 27 HB2 PRO 4 1HB PRO 4 12.909 0.430 -5.808 28 HB3 PRO 4 2HB PRO 4 11.580 -0.630 -6.293 29 HG2 PRO 4 1HG PRO 4 11.545 2.307 -5.713 30 HG3 PRO 4 2HG PRO 4 10.755 1.416 -7.028 31 HD2 PRO 4 1HD PRO 4 9.426 2.228 -4.812 32 HD3 PRO 4 2HD PRO 4 9.006 0.741 -5.687 33 H MET 5 H MET 5 12.557 -1.011 -2.057 34 HA MET 5 HA MET 5 14.633 1.023 -1.838 35 HB2 MET 5 1HB MET 5 12.990 0.480 0.603 36 HB3 MET 5 2HB MET 5 14.000 1.869 0.229 37 HG2 MET 5 1HG MET 5 12.369 2.666 -1.369 38 HG3 MET 5 2HG MET 5 11.373 1.238 -1.095 39 HE1 MET 5 3HE MET 5 10.493 3.918 -1.242 40 HE2 MET 5 1HE MET 5 9.271 3.951 0.029 41 HE3 MET 5 2HE MET 5 10.673 5.017 0.126 42 H ILE 6 H ILE 6 16.080 0.528 0.100 43 HA ILE 6 HA ILE 6 16.419 -2.392 0.275 44 HB ILE 6 HB ILE 6 18.500 -0.222 0.554 45 HG12 ILE 6 1HG1 ILE 6 18.133 -2.313 -1.602 46 HG13 ILE 6 2HG1 ILE 6 17.687 -0.618 -1.762 47 HG21 ILE 6 1HG2 ILE 6 19.087 -2.028 1.997 48 HG22 ILE 6 2HG2 ILE 6 18.709 -3.219 0.753 49 HG23 ILE 6 3HG2 ILE 6 20.096 -2.148 0.556 50 HD11 ILE 6 3HD1 ILE 6 19.713 -0.308 -2.603 51 HD12 ILE 6 1HD1 ILE 6 20.324 -0.525 -0.963 52 HD13 ILE 6 2HD1 ILE 6 20.261 -1.897 -2.070 53 H VAL 7 H VAL 7 16.459 -3.370 2.215 54 HA VAL 7 HA VAL 7 16.137 -1.665 4.588 55 HB VAL 7 HB VAL 7 14.314 -3.290 4.070 56 HG11 VAL 7 1HG1 VAL 7 15.812 -5.065 3.181 57 HG12 VAL 7 2HG1 VAL 7 16.340 -5.389 4.833 58 HG13 VAL 7 3HG1 VAL 7 14.655 -5.646 4.378 59 HG21 VAL 7 3HG2 VAL 7 14.031 -2.890 6.253 60 HG22 VAL 7 1HG2 VAL 7 14.778 -4.467 6.510 61 HG23 VAL 7 2HG2 VAL 7 15.759 -3.004 6.587 62 H LYS 8 H LYS 8 17.554 -1.732 6.233 63 HA LYS 8 HA LYS 8 19.480 -3.920 6.404 64 HB2 LYS 8 1HB LYS 8 20.498 -1.101 6.564 65 HB3 LYS 8 2HB LYS 8 21.399 -2.587 6.297 66 HG2 LYS 8 1HG LYS 8 20.484 -2.770 4.059 67 HG3 LYS 8 2HG LYS 8 19.509 -1.323 4.322 68 HD2 LYS 8 1HD LYS 8 21.307 -0.427 3.209 69 HD3 LYS 8 2HD LYS 8 21.839 -0.245 4.883 70 HE2 LYS 8 1HE LYS 8 23.706 -1.172 3.902 71 HE3 LYS 8 2HE LYS 8 22.881 -2.606 4.512 72 HZ1 LYS 8 3HZ LYS 8 22.012 -3.040 2.338 73 HZ2 LYS 8 1HZ LYS 8 23.687 -2.842 2.211 74 HZ3 LYS 8 2HZ LYS 8 22.650 -1.596 1.730 75 H TRP 9 H TRP 9 17.812 -4.138 8.208 76 HA TRP 9 HA TRP 9 18.487 -2.429 10.500 77 HB2 TRP 9 1HB TRP 9 16.063 -2.760 9.765 78 HB3 TRP 9 2HB TRP 9 16.216 -4.410 10.362 79 HD1 TRP 9 HD1 TRP 9 15.026 -4.545 12.617 80 HE1 TRP 9 HE1 TRP 9 14.915 -3.093 14.739 81 HE3 TRP 9 HE3 TRP 9 17.869 -0.596 11.049 82 HZ2 TRP 9 HZ2 TRP 9 15.901 -0.602 15.630 83 HZ3 TRP 9 HZ3 TRP 9 18.237 1.281 12.596 84 HH2 TRP 9 HH2 TRP 9 17.272 1.276 14.839 85 H GLY 10 H GLY 10 19.418 -3.237 12.313 86 HA2 GLY 10 1HA GLY 10 20.749 -4.677 13.523 87 HA3 GLY 10 2HA GLY 10 19.397 -5.781 13.318 88 H GLY 11 H GLY 11 19.819 -7.650 12.347 89 HA2 GLY 11 1HA GLY 11 22.327 -7.854 10.810 90 HA3 GLY 11 2HA GLY 11 21.553 -9.185 11.657 91 H GLN 12 H GLN 12 19.104 -7.529 10.262 92 HA GLN 12 HA GLN 12 19.041 -9.377 7.991 93 HB2 GLN 12 1HB GLN 12 16.605 -8.597 7.880 94 HB3 GLN 12 2HB GLN 12 17.073 -9.590 9.254 95 HG2 GLN 12 1HG GLN 12 17.118 -7.718 10.704 96 HG3 GLN 12 2HG GLN 12 16.977 -6.590 9.357 97 HE21 GLN 12 2HE2 GLN 12 15.301 -6.808 11.694 98 HE22 GLN 12 1HE2 GLN 12 13.701 -7.135 11.129 99 H GLU 13 H GLU 13 20.181 -8.426 6.372 100 HA GLU 13 HA GLU 13 19.318 -5.734 5.538 101 HB2 GLU 13 1HB GLU 13 21.706 -5.938 6.279 102 HB3 GLU 13 2HB GLU 13 21.972 -7.050 4.943 103 HG2 GLU 13 1HG GLU 13 20.901 -4.983 3.608 104 HG3 GLU 13 2HG GLU 13 21.666 -4.122 4.942 105 H TYR 14 H TYR 14 17.571 -6.804 4.383 106 HA TYR 14 HA TYR 14 18.404 -8.305 2.007 107 HB2 TYR 14 1HB TYR 14 16.092 -8.374 3.740 108 HB3 TYR 14 2HB TYR 14 15.601 -8.145 2.065 109 HD1 TYR 14 HD1 TYR 14 18.475 -10.085 3.427 110 HD2 TYR 14 HD2 TYR 14 14.722 -10.208 1.424 111 HE1 TYR 14 HE1 TYR 14 18.780 -12.491 3.015 112 HE2 TYR 14 HE2 TYR 14 15.017 -12.614 1.008 113 HH TYR 14 HH TYR 14 17.771 -14.171 1.096 114 H SER 15 H SER 15 16.590 -7.819 0.161 115 HA SER 15 HA SER 15 16.773 -4.917 -0.320 116 HB2 SER 15 1HB SER 15 18.181 -6.219 -1.852 117 HB3 SER 15 2HB SER 15 16.782 -7.174 -2.340 118 HG SER 15 HG SER 15 17.368 -4.473 -2.878 119 H VAL 16 H VAL 16 14.881 -3.926 -0.204 120 HA VAL 16 HA VAL 16 12.418 -5.437 -0.639 121 HB VAL 16 HB VAL 16 12.564 -2.563 0.234 122 HG11 VAL 16 1HG1 VAL 16 10.541 -4.137 1.489 123 HG12 VAL 16 2HG1 VAL 16 10.359 -2.761 0.400 124 HG13 VAL 16 3HG1 VAL 16 10.474 -4.395 -0.254 125 HG21 VAL 16 3HG2 VAL 16 12.492 -3.424 2.575 126 HG22 VAL 16 1HG2 VAL 16 12.868 -5.027 1.943 127 HG23 VAL 16 2HG2 VAL 16 14.024 -3.709 1.749 128 H THR 17 H THR 17 14.170 -4.649 -2.866 129 HA THR 17 HA THR 17 13.084 -2.443 -4.257 130 HB THR 17 HB THR 17 15.280 -3.414 -4.814 131 HG1 THR 17 HG1 THR 17 14.727 -3.591 -7.212 132 HG21 THR 17 3HG2 THR 17 14.330 -5.539 -6.523 133 HG22 THR 17 1HG2 THR 17 13.886 -5.833 -4.842 134 HG23 THR 17 2HG2 THR 17 15.576 -5.577 -5.277 135 H THR 18 H THR 18 12.097 -2.800 -6.529 136 HA THR 18 HA THR 18 9.648 -4.318 -6.134 137 HB THR 18 HB THR 18 9.548 -1.986 -6.982 138 HG1 THR 18 HG1 THR 18 7.750 -2.771 -7.764 139 HG21 THR 18 3HG2 THR 18 10.620 -3.066 -9.579 140 HG22 THR 18 1HG2 THR 18 11.646 -2.252 -8.398 141 HG23 THR 18 2HG2 THR 18 10.300 -1.388 -9.141 142 H LEU 19 H LEU 19 12.643 -4.896 -7.457 143 HA LEU 19 HA LEU 19 13.484 -6.602 -8.706 144 HB2 LEU 19 1HB LEU 19 10.740 -7.769 -8.967 145 HB3 LEU 19 2HB LEU 19 12.295 -8.596 -8.908 146 HG LEU 19 HG LEU 19 11.103 -7.173 -6.537 147 HD11 LEU 19 1HD1 LEU 19 11.003 -10.136 -6.998 148 HD12 LEU 19 2HD1 LEU 19 9.685 -9.070 -7.484 149 HD13 LEU 19 3HD1 LEU 19 10.153 -9.176 -5.787 150 HD21 LEU 19 3HD2 LEU 19 12.654 -8.924 -5.422 151 HD22 LEU 19 1HD2 LEU 19 13.360 -7.465 -6.118 152 HD23 LEU 19 2HD2 LEU 19 13.435 -8.989 -7.003 153 H SER 20 H SER 20 12.792 -7.921 -10.895 154 HA SER 20 HA SER 20 12.605 -5.858 -12.872 155 HB2 SER 20 1HB SER 20 12.845 -8.861 -13.024 156 HB3 SER 20 2HB SER 20 12.675 -7.861 -14.466 157 HG SER 20 HG SER 20 14.887 -8.372 -13.739 158 H GLU 21 H GLU 21 11.133 -6.241 -14.829 159 HA GLU 21 HA GLU 21 8.464 -5.936 -14.017 160 HB2 GLU 21 1HB GLU 21 7.930 -6.072 -16.441 161 HB3 GLU 21 2HB GLU 21 9.231 -4.947 -16.076 162 HG2 GLU 21 1HG GLU 21 10.878 -6.484 -16.859 163 HG3 GLU 21 2HG GLU 21 9.679 -7.765 -17.022 164 H ASP 22 H ASP 22 10.295 -8.735 -15.001 165 HA ASP 22 HA ASP 22 8.127 -10.465 -15.541 166 HB2 ASP 22 1HB ASP 22 11.028 -10.837 -14.917 167 HB3 ASP 22 2HB ASP 22 9.962 -12.239 -14.869 168 H ASP 23 H ASP 23 9.954 -9.762 -12.597 169 HA ASP 23 HA ASP 23 8.311 -11.610 -11.058 170 HB2 ASP 23 1HB ASP 23 10.698 -9.900 -10.363 171 HB3 ASP 23 2HB ASP 23 9.788 -10.794 -9.149 172 H THR 24 H THR 24 7.874 -10.544 -8.704 173 HA THR 24 HA THR 24 6.805 -7.858 -8.925 174 HB THR 24 HB THR 24 4.594 -9.028 -7.859 175 HG1 THR 24 HG1 THR 24 5.733 -10.822 -9.740 176 HG21 THR 24 3HG2 THR 24 3.585 -8.729 -10.145 177 HG22 THR 24 1HG2 THR 24 5.207 -8.380 -10.741 178 HG23 THR 24 2HG2 THR 24 4.466 -7.330 -9.533 179 H VAL 25 H VAL 25 5.774 -7.172 -6.822 180 HA VAL 25 HA VAL 25 7.528 -7.455 -4.708 181 HB VAL 25 HB VAL 25 4.618 -6.672 -4.720 182 HG11 VAL 25 1HG1 VAL 25 6.510 -6.980 -2.438 183 HG12 VAL 25 2HG1 VAL 25 5.349 -5.650 -2.417 184 HG13 VAL 25 3HG1 VAL 25 4.781 -7.317 -2.523 185 HG21 VAL 25 3HG2 VAL 25 6.173 -5.169 -5.869 186 HG22 VAL 25 1HG2 VAL 25 5.508 -4.421 -4.417 187 HG23 VAL 25 2HG2 VAL 25 7.152 -5.061 -4.406 188 H LEU 26 H LEU 26 4.832 -9.467 -5.615 189 HA LEU 26 HA LEU 26 4.322 -10.812 -3.243 190 HB2 LEU 26 1HB LEU 26 3.289 -12.474 -4.528 191 HB3 LEU 26 2HB LEU 26 3.101 -10.986 -5.453 192 HG LEU 26 HG LEU 26 5.305 -11.902 -6.631 193 HD11 LEU 26 1HD1 LEU 26 5.739 -14.083 -6.428 194 HD12 LEU 26 2HD1 LEU 26 4.031 -14.522 -6.442 195 HD13 LEU 26 3HD1 LEU 26 4.793 -13.992 -4.942 196 HD21 LEU 26 3HD2 LEU 26 3.885 -12.797 -8.378 197 HD22 LEU 26 1HD2 LEU 26 3.165 -11.334 -7.706 198 HD23 LEU 26 2HD2 LEU 26 2.532 -12.917 -7.252 199 H ASP 27 H ASP 27 6.906 -11.262 -5.579 200 HA ASP 27 HA ASP 27 7.884 -13.718 -4.596 201 HB2 ASP 27 1HB ASP 27 8.981 -11.526 -6.301 202 HB3 ASP 27 2HB ASP 27 10.104 -12.716 -5.646 203 H LEU 28 H LEU 28 9.421 -10.520 -4.225 204 HA LEU 28 HA LEU 28 11.214 -11.192 -2.245 205 HB2 LEU 28 1HB LEU 28 11.574 -8.936 -1.941 206 HB3 LEU 28 2HB LEU 28 10.894 -8.995 -3.566 207 HG LEU 28 HG LEU 28 8.643 -8.554 -2.211 208 HD11 LEU 28 1HD1 LEU 28 8.869 -7.823 -0.128 209 HD12 LEU 28 2HD1 LEU 28 10.117 -6.672 -0.604 210 HD13 LEU 28 3HD1 LEU 28 10.557 -8.330 -0.197 211 HD21 LEU 28 3HD2 LEU 28 10.151 -7.162 -3.952 212 HD22 LEU 28 1HD2 LEU 28 10.267 -6.116 -2.537 213 HD23 LEU 28 2HD2 LEU 28 8.686 -6.528 -3.201 214 H LYS 29 H LYS 29 7.803 -10.483 -1.969 215 HA LYS 29 HA LYS 29 7.604 -10.002 0.767 216 HB2 LYS 29 1HB LYS 29 5.795 -9.857 -1.057 217 HB3 LYS 29 2HB LYS 29 5.550 -11.576 -0.772 218 HG2 LYS 29 1HG LYS 29 5.150 -11.020 1.640 219 HG3 LYS 29 2HG LYS 29 5.162 -9.318 1.175 220 HD2 LYS 29 1HD LYS 29 3.391 -10.103 -0.589 221 HD3 LYS 29 2HD LYS 29 3.179 -11.454 0.527 222 HE2 LYS 29 1HE LYS 29 3.161 -8.660 1.578 223 HE3 LYS 29 2HE LYS 29 1.728 -9.287 0.765 224 HZ1 LYS 29 3HZ LYS 29 2.663 -9.806 3.392 225 HZ2 LYS 29 1HZ LYS 29 2.513 -11.253 2.529 226 HZ3 LYS 29 2HZ LYS 29 1.183 -10.220 2.684 227 H GLN 30 H GLN 30 7.144 -13.107 -0.933 228 HA GLN 30 HA GLN 30 6.874 -14.694 1.346 229 HB2 GLN 30 1HB GLN 30 7.894 -15.360 -1.415 230 HB3 GLN 30 2HB GLN 30 7.616 -16.574 -0.174 231 HG2 GLN 30 1HG GLN 30 5.237 -15.680 -0.060 232 HG3 GLN 30 2HG GLN 30 5.609 -14.832 -1.561 233 HE21 GLN 30 2HE2 GLN 30 3.698 -16.288 -2.108 234 HE22 GLN 30 1HE2 GLN 30 4.088 -17.835 -2.771 235 H PHE 31 H PHE 31 9.718 -13.462 -0.261 236 HA PHE 31 HA PHE 31 11.621 -15.169 0.940 237 HB2 PHE 31 1HB PHE 31 11.689 -12.581 -0.516 238 HB3 PHE 31 2HB PHE 31 13.087 -12.969 0.481 239 HD1 PHE 31 HD2 PHE 31 10.860 -14.797 -1.897 240 HD2 PHE 31 HD1 PHE 31 14.832 -13.904 -0.658 241 HE1 PHE 31 HE2 PHE 31 11.739 -16.227 -3.696 242 HE2 PHE 31 HE1 PHE 31 15.718 -15.331 -2.456 243 HZ PHE 31 HZ PHE 31 14.170 -16.496 -3.977 244 H LEU 32 H LEU 32 10.055 -12.223 1.989 245 HA LEU 32 HA LEU 32 11.806 -11.799 4.227 246 HB2 LEU 32 1HB LEU 32 9.104 -10.637 3.566 247 HB3 LEU 32 2HB LEU 32 10.130 -10.107 4.898 248 HG LEU 32 HG LEU 32 10.715 -9.846 1.950 249 HD11 LEU 32 1HD1 LEU 32 10.471 -7.628 3.946 250 HD12 LEU 32 2HD1 LEU 32 9.046 -8.292 3.147 251 HD13 LEU 32 3HD1 LEU 32 10.338 -7.568 2.189 252 HD21 LEU 32 3HD2 LEU 32 12.391 -9.005 4.313 253 HD22 LEU 32 1HD2 LEU 32 12.748 -8.696 2.614 254 HD23 LEU 32 2HD2 LEU 32 12.748 -10.350 3.228 255 H LYS 33 H LYS 33 8.809 -13.478 3.637 256 HA LYS 33 HA LYS 33 8.079 -13.796 6.379 257 HB2 LYS 33 1HB LYS 33 6.250 -14.050 4.996 258 HB3 LYS 33 2HB LYS 33 7.161 -14.929 3.775 259 HG2 LYS 33 1HG LYS 33 6.794 -16.244 6.402 260 HG3 LYS 33 2HG LYS 33 5.382 -16.105 5.352 261 HD2 LYS 33 1HD LYS 33 6.207 -17.565 3.829 262 HD3 LYS 33 2HD LYS 33 7.875 -17.037 4.069 263 HE2 LYS 33 1HE LYS 33 8.052 -18.318 6.087 264 HE3 LYS 33 2HE LYS 33 6.333 -18.707 6.048 265 HZ1 LYS 33 3HZ LYS 33 7.881 -20.494 5.249 266 HZ2 LYS 33 1HZ LYS 33 8.207 -19.522 3.903 267 HZ3 LYS 33 2HZ LYS 33 6.636 -20.085 4.179 268 H THR 34 H THR 34 10.038 -15.592 4.107 269 HA THR 34 HA THR 34 10.305 -17.852 5.919 270 HB THR 34 HB THR 34 10.156 -18.286 3.503 271 HG1 THR 34 HG1 THR 34 11.313 -19.794 4.713 272 HG21 THR 34 3HG2 THR 34 11.273 -16.258 2.699 273 HG22 THR 34 1HG2 THR 34 12.021 -17.706 2.026 274 HG23 THR 34 2HG2 THR 34 12.806 -16.842 3.348 275 H LEU 35 H LEU 35 12.049 -15.002 4.960 276 HA LEU 35 HA LEU 35 14.539 -15.872 6.148 277 HB2 LEU 35 1HB LEU 35 14.634 -14.463 4.198 278 HB3 LEU 35 2HB LEU 35 13.657 -13.232 4.996 279 HG LEU 35 HG LEU 35 15.719 -13.302 6.699 280 HD11 LEU 35 1HD1 LEU 35 16.678 -14.538 4.193 281 HD12 LEU 35 2HD1 LEU 35 17.258 -14.721 5.848 282 HD13 LEU 35 3HD1 LEU 35 17.707 -13.297 4.909 283 HD21 LEU 35 3HD2 LEU 35 15.090 -11.244 5.836 284 HD22 LEU 35 1HD2 LEU 35 15.302 -11.765 4.165 285 HD23 LEU 35 2HD2 LEU 35 16.713 -11.459 5.178 286 H THR 36 H THR 36 12.034 -13.454 6.849 287 HA THR 36 HA THR 36 13.158 -13.152 9.551 288 HB THR 36 HB THR 36 12.333 -11.006 9.666 289 HG1 THR 36 HG1 THR 36 10.421 -11.749 7.684 290 HG21 THR 36 3HG2 THR 36 12.644 -11.379 6.685 291 HG22 THR 36 1HG2 THR 36 13.968 -11.143 7.825 292 HG23 THR 36 2HG2 THR 36 12.786 -9.859 7.568 293 H GLY 37 H GLY 37 10.158 -13.752 7.775 294 HA2 GLY 37 1HA GLY 37 8.122 -14.574 8.456 295 HA3 GLY 37 2HA GLY 37 9.077 -15.560 9.554 296 H VAL 38 H VAL 38 9.088 -12.081 9.763 297 HA VAL 38 HA VAL 38 7.479 -12.270 12.228 298 HB VAL 38 HB VAL 38 9.883 -11.820 12.664 299 HG11 VAL 38 1HG1 VAL 38 11.021 -10.393 11.403 300 HG12 VAL 38 2HG1 VAL 38 9.548 -9.993 10.517 301 HG13 VAL 38 3HG1 VAL 38 9.990 -9.074 11.956 302 HG21 VAL 38 3HG2 VAL 38 9.430 -10.408 14.398 303 HG22 VAL 38 1HG2 VAL 38 8.492 -9.301 13.395 304 HG23 VAL 38 2HG2 VAL 38 7.780 -10.822 13.933 305 H LEU 39 H LEU 39 7.691 -10.963 9.150 306 HA LEU 39 HA LEU 39 6.641 -8.385 9.474 307 HB2 LEU 39 1HB LEU 39 6.855 -10.343 7.275 308 HB3 LEU 39 2HB LEU 39 5.623 -9.097 7.087 309 HG LEU 39 HG LEU 39 7.276 -7.361 7.182 310 HD11 LEU 39 1HD1 LEU 39 9.068 -9.581 8.056 311 HD12 LEU 39 2HD1 LEU 39 8.874 -7.961 8.724 312 HD13 LEU 39 3HD1 LEU 39 9.747 -8.191 7.209 313 HD21 LEU 39 3HD2 LEU 39 8.906 -8.477 5.331 314 HD22 LEU 39 1HD2 LEU 39 7.288 -7.862 4.990 315 HD23 LEU 39 2HD2 LEU 39 7.535 -9.585 5.277 316 HA PRO 40 HA PRO 40 2.265 -10.339 8.834 317 HB2 PRO 40 1HB PRO 40 2.077 -13.042 9.007 318 HB3 PRO 40 2HB PRO 40 2.390 -12.196 7.486 319 HG2 PRO 40 1HG PRO 40 4.317 -13.562 9.325 320 HG3 PRO 40 2HG PRO 40 4.239 -13.604 7.554 321 HD2 PRO 40 1HD PRO 40 5.993 -12.039 8.897 322 HD3 PRO 40 2HD PRO 40 5.298 -11.569 7.332 323 H GLU 41 H GLU 41 4.552 -11.115 11.192 324 HA GLU 41 HA GLU 41 2.541 -11.938 13.154 325 HB2 GLU 41 1HB GLU 41 5.536 -11.757 13.503 326 HB3 GLU 41 2HB GLU 41 4.392 -12.536 14.587 327 HG2 GLU 41 1HG GLU 41 3.865 -13.883 12.328 328 HG3 GLU 41 2HG GLU 41 5.562 -13.489 12.058 329 H ARG 42 H ARG 42 4.962 -9.426 12.571 330 HA ARG 42 HA ARG 42 3.484 -7.373 13.744 331 HB2 ARG 42 1HB ARG 42 4.985 -7.024 15.787 332 HB3 ARG 42 2HB ARG 42 3.762 -8.283 15.892 333 HG2 ARG 42 1HG ARG 42 5.489 -9.960 15.346 334 HG3 ARG 42 2HG ARG 42 6.698 -8.674 15.355 335 HD2 ARG 42 1HD ARG 42 5.593 -8.228 17.744 336 HD3 ARG 42 2HD ARG 42 5.256 -9.953 17.605 337 HE ARG 42 HE ARG 42 7.490 -10.379 17.889 338 HH11 ARG 42 1HH1 ARG 42 7.047 -7.003 17.164 339 HH12 ARG 42 2HH1 ARG 42 8.695 -6.582 17.492 340 HH21 ARG 42 1HH2 ARG 42 9.662 -9.838 18.324 341 HH22 ARG 42 2HH2 ARG 42 10.182 -8.196 18.151 342 H GLN 43 H GLN 43 4.316 -5.466 13.113 343 HA GLN 43 HA GLN 43 7.166 -5.156 12.679 344 HB2 GLN 43 1HB GLN 43 6.514 -4.175 10.317 345 HB3 GLN 43 2HB GLN 43 6.856 -5.887 10.526 346 HG2 GLN 43 1HG GLN 43 4.637 -6.491 10.340 347 HG3 GLN 43 2HG GLN 43 4.057 -4.885 10.778 348 HE21 GLN 43 2HE2 GLN 43 2.691 -5.206 8.880 349 HE22 GLN 43 1HE2 GLN 43 3.320 -4.797 7.324 350 H LYS 44 H LYS 44 7.637 -2.872 11.865 351 HA LYS 44 HA LYS 44 5.637 -0.872 12.370 352 HB2 LYS 44 1HB LYS 44 7.002 -1.782 14.596 353 HB3 LYS 44 2HB LYS 44 7.907 -0.346 14.133 354 HG2 LYS 44 1HG LYS 44 4.922 -0.328 14.450 355 HG3 LYS 44 2HG LYS 44 6.024 -0.032 15.797 356 HD2 LYS 44 1HD LYS 44 7.078 1.703 14.121 357 HD3 LYS 44 2HD LYS 44 5.476 1.629 13.383 358 HE2 LYS 44 1HE LYS 44 5.800 2.059 16.331 359 HE3 LYS 44 2HE LYS 44 5.933 3.405 15.201 360 HZ1 LYS 44 3HZ LYS 44 3.732 3.534 15.365 361 HZ2 LYS 44 1HZ LYS 44 3.599 2.025 16.119 362 HZ3 LYS 44 2HZ LYS 44 3.658 2.125 14.431 363 H LEU 45 H LEU 45 7.244 -1.522 10.150 364 HA LEU 45 HA LEU 45 9.600 -0.148 9.805 365 HB2 LEU 45 1HB LEU 45 7.338 -0.611 7.876 366 HB3 LEU 45 2HB LEU 45 8.887 0.078 7.397 367 HG LEU 45 HG LEU 45 9.791 -2.152 8.528 368 HD11 LEU 45 1HD1 LEU 45 6.916 -2.593 8.145 369 HD12 LEU 45 2HD1 LEU 45 8.068 -3.429 9.186 370 HD13 LEU 45 3HD1 LEU 45 7.958 -3.849 7.477 371 HD21 LEU 45 3HD2 LEU 45 10.458 -2.507 6.439 372 HD22 LEU 45 1HD2 LEU 45 9.390 -1.199 5.931 373 HD23 LEU 45 2HD2 LEU 45 8.811 -2.865 5.917 374 H LEU 46 H LEU 46 9.954 1.868 8.505 375 HA LEU 46 HA LEU 46 8.732 4.069 9.817 376 HB2 LEU 46 1HB LEU 46 10.194 5.433 8.600 377 HB3 LEU 46 2HB LEU 46 11.080 3.934 8.874 378 HG LEU 46 HG LEU 46 11.559 4.614 6.661 379 HD11 LEU 46 1HD1 LEU 46 11.074 2.218 6.965 380 HD12 LEU 46 2HD1 LEU 46 10.709 2.783 5.335 381 HD13 LEU 46 3HD1 LEU 46 9.402 2.515 6.487 382 HD21 LEU 46 3HD2 LEU 46 9.229 5.967 6.705 383 HD22 LEU 46 1HD2 LEU 46 8.780 4.604 5.680 384 HD23 LEU 46 2HD2 LEU 46 10.142 5.632 5.233 385 H GLY 47 H GLY 47 7.679 2.163 7.283 386 HA2 GLY 47 1HA GLY 47 5.303 3.458 6.832 387 HA3 GLY 47 2HA GLY 47 6.417 4.169 5.673 388 H LEU 48 H LEU 48 7.952 1.890 5.081 389 HA LEU 48 HA LEU 48 6.357 0.694 3.089 390 HB2 LEU 48 1HB LEU 48 8.815 0.954 2.976 391 HB3 LEU 48 2HB LEU 48 8.975 -0.285 4.219 392 HG LEU 48 HG LEU 48 9.353 -0.926 1.748 393 HD11 LEU 48 1HD1 LEU 48 7.440 -2.865 2.751 394 HD12 LEU 48 2HD1 LEU 48 8.574 -2.328 3.990 395 HD13 LEU 48 3HD1 LEU 48 9.177 -3.019 2.484 396 HD21 LEU 48 3HD2 LEU 48 6.418 -1.407 1.683 397 HD22 LEU 48 1HD2 LEU 48 7.565 -1.227 0.356 398 HD23 LEU 48 2HD2 LEU 48 7.020 0.193 1.248 399 H LYS 49 H LYS 49 5.121 -1.080 3.076 400 HA LYS 49 HA LYS 49 4.063 -2.982 3.745 401 HB2 LYS 49 1HB LYS 49 6.744 -3.300 4.632 402 HB3 LYS 49 2HB LYS 49 5.693 -3.873 5.920 403 HG2 LYS 49 1HG LYS 49 6.282 -5.697 4.458 404 HG3 LYS 49 2HG LYS 49 4.557 -5.348 4.319 405 HD2 LYS 49 1HD LYS 49 4.893 -5.288 2.111 406 HD3 LYS 49 2HD LYS 49 5.694 -3.739 2.386 407 HE2 LYS 49 1HE LYS 49 7.836 -4.932 2.659 408 HE3 LYS 49 2HE LYS 49 7.015 -6.451 2.304 409 HZ1 LYS 49 3HZ LYS 49 6.311 -4.916 0.210 410 HZ2 LYS 49 1HZ LYS 49 7.604 -6.007 0.209 411 HZ3 LYS 49 2HZ LYS 49 7.882 -4.367 0.511 412 H VAL 50 H VAL 50 2.458 -1.474 4.585 413 HA VAL 50 HA VAL 50 2.477 -0.989 7.452 414 HB VAL 50 HB VAL 50 0.298 0.166 7.008 415 HG11 VAL 50 1HG1 VAL 50 2.336 1.283 5.133 416 HG12 VAL 50 2HG1 VAL 50 1.320 2.113 6.313 417 HG13 VAL 50 3HG1 VAL 50 2.704 1.161 6.854 418 HG21 VAL 50 3HG2 VAL 50 -0.050 -1.271 4.878 419 HG22 VAL 50 1HG2 VAL 50 -0.584 0.410 4.879 420 HG23 VAL 50 2HG2 VAL 50 0.929 -0.035 4.089 421 H LYS 51 H LYS 51 0.734 -1.625 8.837 422 HA LYS 51 HA LYS 51 -0.209 -4.305 8.243 423 HB2 LYS 51 1HB LYS 51 -0.028 -2.600 10.687 424 HB3 LYS 51 2HB LYS 51 -1.194 -3.917 10.671 425 HG2 LYS 51 1HG LYS 51 0.627 -5.489 10.148 426 HG3 LYS 51 2HG LYS 51 1.779 -4.155 10.252 427 HD2 LYS 51 1HD LYS 51 -0.033 -5.064 12.488 428 HD3 LYS 51 2HD LYS 51 1.672 -5.491 12.327 429 HE2 LYS 51 1HE LYS 51 2.035 -2.921 12.222 430 HE3 LYS 51 2HE LYS 51 0.430 -2.840 12.948 431 HZ1 LYS 51 3HZ LYS 51 1.195 -3.564 14.910 432 HZ2 LYS 51 1HZ LYS 51 2.707 -3.068 14.337 433 HZ3 LYS 51 2HZ LYS 51 2.250 -4.692 14.221 434 H GLY 52 H GLY 52 -2.403 -4.953 8.366 435 HA2 GLY 52 1HA GLY 52 -4.701 -4.697 8.231 436 HA3 GLY 52 2HA GLY 52 -4.496 -2.991 8.601 437 H LYS 53 H LYS 53 -2.440 -3.703 6.118 438 HA LYS 53 HA LYS 53 -4.088 -3.869 3.866 439 HB2 LYS 53 1HB LYS 53 -3.799 -1.443 3.102 440 HB3 LYS 53 2HB LYS 53 -5.031 -1.763 4.315 441 HG2 LYS 53 1HG LYS 53 -3.630 -0.918 6.058 442 HG3 LYS 53 2HG LYS 53 -2.259 -0.781 4.954 443 HD2 LYS 53 1HD LYS 53 -3.570 0.867 3.628 444 HD3 LYS 53 2HD LYS 53 -4.831 0.794 4.861 445 HE2 LYS 53 1HE LYS 53 -3.034 1.437 6.530 446 HE3 LYS 53 2HE LYS 53 -2.007 1.794 5.143 447 HZ1 LYS 53 3HZ LYS 53 -3.000 3.815 5.730 448 HZ2 LYS 53 1HZ LYS 53 -4.529 3.121 5.937 449 HZ3 LYS 53 2HZ LYS 53 -3.880 3.289 4.384 450 HA PRO 54 HA PRO 54 0.528 -4.217 3.330 451 HB2 PRO 54 1HB PRO 54 0.470 -6.742 2.335 452 HB3 PRO 54 2HB PRO 54 0.553 -6.393 4.066 453 HG2 PRO 54 1HG PRO 54 -1.820 -7.124 2.393 454 HG3 PRO 54 2HG PRO 54 -1.369 -7.701 4.008 455 HD2 PRO 54 1HD PRO 54 -3.246 -5.789 3.615 456 HD3 PRO 54 2HD PRO 54 -2.200 -5.820 5.049 457 H ALA 55 H ALA 55 1.680 -4.186 1.376 458 HA ALA 55 HA ALA 55 0.470 -3.053 -0.827 459 HB1 ALA 55 1HB ALA 55 2.898 -4.760 -1.183 460 HB2 ALA 55 2HB ALA 55 2.513 -3.194 -1.899 461 HB3 ALA 55 3HB ALA 55 2.977 -3.297 -0.201 462 H GLU 56 H GLU 56 0.536 -4.023 -3.106 463 HA GLU 56 HA GLU 56 -0.759 -6.666 -3.012 464 HB2 GLU 56 1HB GLU 56 -2.005 -4.521 -3.826 465 HB3 GLU 56 2HB GLU 56 -1.073 -4.751 -5.298 466 HG2 GLU 56 1HG GLU 56 -2.100 -6.796 -5.769 467 HG3 GLU 56 2HG GLU 56 -2.727 -6.958 -4.129 468 H ASN 57 H ASN 57 -0.349 -8.152 -4.723 469 HA ASN 57 HA ASN 57 2.355 -8.403 -5.418 470 HB2 ASN 57 1HB ASN 57 1.693 -10.316 -6.722 471 HB3 ASN 57 2HB ASN 57 0.706 -10.282 -5.264 472 HD21 ASN 57 2HD2 ASN 57 0.500 -11.112 -8.291 473 HD22 ASN 57 1HD2 ASN 57 -1.113 -10.632 -8.683 474 H ASP 58 H ASP 58 -0.342 -6.932 -7.075 475 HA ASP 58 HA ASP 58 0.579 -6.808 -9.676 476 HB2 ASP 58 1HB ASP 58 -1.626 -5.914 -8.550 477 HB3 ASP 58 2HB ASP 58 -0.731 -4.398 -8.478 478 H VAL 59 H VAL 59 1.662 -5.059 -6.872 479 HA VAL 59 HA VAL 59 2.964 -2.902 -8.071 480 HB VAL 59 HB VAL 59 3.823 -4.410 -5.597 481 HG11 VAL 59 1HG1 VAL 59 4.419 -1.579 -6.450 482 HG12 VAL 59 2HG1 VAL 59 4.946 -2.356 -4.956 483 HG13 VAL 59 3HG1 VAL 59 5.557 -2.925 -6.510 484 HG21 VAL 59 3HG2 VAL 59 2.470 -1.907 -5.140 485 HG22 VAL 59 1HG2 VAL 59 1.456 -3.009 -6.071 486 HG23 VAL 59 2HG2 VAL 59 2.102 -3.512 -4.509 487 H LYS 60 H LYS 60 4.531 -2.883 -9.528 488 HA LYS 60 HA LYS 60 6.809 -4.662 -9.251 489 HB2 LYS 60 1HB LYS 60 6.628 -5.201 -11.762 490 HB3 LYS 60 2HB LYS 60 5.589 -6.085 -10.652 491 HG2 LYS 60 1HG LYS 60 3.786 -5.402 -11.734 492 HG3 LYS 60 2HG LYS 60 4.248 -3.713 -11.512 493 HD2 LYS 60 1HD LYS 60 5.141 -3.545 -13.589 494 HD3 LYS 60 2HD LYS 60 5.720 -5.212 -13.591 495 HE2 LYS 60 1HE LYS 60 3.456 -6.012 -13.999 496 HE3 LYS 60 2HE LYS 60 2.848 -4.358 -13.945 497 HZ1 LYS 60 3HZ LYS 60 3.832 -3.842 -15.954 498 HZ2 LYS 60 1HZ LYS 60 3.327 -5.436 -16.213 499 HZ3 LYS 60 2HZ LYS 60 4.951 -5.108 -15.870 500 H LEU 61 H LEU 61 8.418 -4.156 -11.130 501 HA LEU 61 HA LEU 61 9.230 -1.513 -10.896 502 HB2 LEU 61 1HB LEU 61 10.872 -3.026 -11.544 503 HB3 LEU 61 2HB LEU 61 9.879 -3.695 -12.837 504 HG LEU 61 HG LEU 61 10.218 -1.630 -14.136 505 HD11 LEU 61 1HD1 LEU 61 11.672 0.090 -13.447 506 HD12 LEU 61 2HD1 LEU 61 12.251 -0.843 -12.068 507 HD13 LEU 61 3HD1 LEU 61 10.605 -0.211 -12.075 508 HD21 LEU 61 3HD2 LEU 61 12.661 -3.116 -13.198 509 HD22 LEU 61 1HD2 LEU 61 12.679 -1.973 -14.541 510 HD23 LEU 61 2HD2 LEU 61 11.684 -3.426 -14.633 511 H GLY 62 H GLY 62 7.023 -2.990 -13.155 512 HA2 GLY 62 1HA GLY 62 6.960 -0.613 -14.845 513 HA3 GLY 62 2HA GLY 62 6.083 -2.110 -15.121 514 H ALA 63 H ALA 63 5.963 -0.669 -11.981 515 HA ALA 63 HA ALA 63 3.290 0.418 -12.567 516 HB1 ALA 63 1HB ALA 63 3.586 -0.635 -9.864 517 HB2 ALA 63 2HB ALA 63 2.282 -0.854 -11.032 518 HB3 ALA 63 3HB ALA 63 3.721 -1.870 -11.116 519 H LEU 64 H LEU 64 6.143 0.493 -10.496 520 HA LEU 64 HA LEU 64 5.307 3.110 -9.460 521 HB2 LEU 64 1HB LEU 64 7.651 1.524 -8.473 522 HB3 LEU 64 2HB LEU 64 6.744 2.785 -7.640 523 HG LEU 64 HG LEU 64 4.889 0.754 -8.106 524 HD11 LEU 64 1HD1 LEU 64 7.354 -0.439 -8.346 525 HD12 LEU 64 2HD1 LEU 64 5.846 -1.250 -7.923 526 HD13 LEU 64 3HD1 LEU 64 6.941 -0.706 -6.652 527 HD21 LEU 64 3HD2 LEU 64 4.743 0.671 -5.762 528 HD22 LEU 64 1HD2 LEU 64 5.260 2.316 -6.132 529 HD23 LEU 64 2HD2 LEU 64 6.434 1.132 -5.556 530 H LYS 65 H LYS 65 8.069 1.431 -10.919 531 HA LYS 65 HA LYS 65 9.847 2.177 -12.125 532 HB2 LYS 65 1HB LYS 65 8.052 4.566 -12.591 533 HB3 LYS 65 2HB LYS 65 9.519 4.210 -13.493 534 HG2 LYS 65 1HG LYS 65 8.116 3.236 -14.938 535 HG3 LYS 65 2HG LYS 65 8.157 1.890 -13.797 536 HD2 LYS 65 1HD LYS 65 5.866 2.364 -14.313 537 HD3 LYS 65 2HD LYS 65 6.175 2.890 -12.657 538 HE2 LYS 65 1HE LYS 65 6.086 5.131 -13.215 539 HE3 LYS 65 2HE LYS 65 6.476 4.831 -14.908 540 HZ1 LYS 65 3HZ LYS 65 4.241 5.333 -14.974 541 HZ2 LYS 65 1HZ LYS 65 3.893 4.533 -13.524 542 HZ3 LYS 65 2HZ LYS 65 4.207 3.642 -14.927 543 H LEU 66 H LEU 66 9.753 2.731 -9.296 544 HA LEU 66 HA LEU 66 11.035 5.340 -9.034 545 HB2 LEU 66 1HB LEU 66 9.808 3.382 -7.178 546 HB3 LEU 66 2HB LEU 66 11.115 4.382 -6.547 547 HG LEU 66 HG LEU 66 8.882 5.750 -7.951 548 HD11 LEU 66 1HD1 LEU 66 7.352 5.584 -6.232 549 HD12 LEU 66 2HD1 LEU 66 8.559 5.041 -5.067 550 HD13 LEU 66 3HD1 LEU 66 7.986 3.941 -6.321 551 HD21 LEU 66 3HD2 LEU 66 11.086 6.639 -6.714 552 HD22 LEU 66 1HD2 LEU 66 9.972 6.620 -5.346 553 HD23 LEU 66 2HD2 LEU 66 9.582 7.560 -6.787 554 H LYS 67 H LYS 67 12.892 5.202 -7.239 555 HA LYS 67 HA LYS 67 14.813 3.195 -8.224 556 HB2 LYS 67 1HB LYS 67 16.575 4.782 -7.892 557 HB3 LYS 67 2HB LYS 67 15.308 5.580 -8.812 558 HG2 LYS 67 1HG LYS 67 14.532 6.714 -6.816 559 HG3 LYS 67 2HG LYS 67 15.740 5.868 -5.845 560 HD2 LYS 67 1HD LYS 67 16.528 8.095 -6.334 561 HD3 LYS 67 2HD LYS 67 17.516 6.924 -7.211 562 HE2 LYS 67 1HE LYS 67 16.498 7.438 -9.262 563 HE3 LYS 67 2HE LYS 67 15.142 8.251 -8.482 564 HZ1 LYS 67 3HZ LYS 67 16.333 10.142 -8.169 565 HZ2 LYS 67 1HZ LYS 67 17.117 9.585 -9.560 566 HZ3 LYS 67 2HZ LYS 67 17.818 9.342 -8.040 567 HA PRO 68 HA PRO 68 15.342 1.636 -4.155 568 HB2 PRO 68 1HB PRO 68 17.977 0.983 -4.168 569 HB3 PRO 68 2HB PRO 68 16.756 0.069 -5.063 570 HG2 PRO 68 1HG PRO 68 18.655 2.164 -6.049 571 HG3 PRO 68 2HG PRO 68 18.202 0.622 -6.798 572 HD2 PRO 68 1HD PRO 68 17.142 2.988 -7.580 573 HD3 PRO 68 2HD PRO 68 16.230 1.466 -7.641 574 H ASN 69 H ASN 69 16.900 4.469 -5.180 575 HA ASN 69 HA ASN 69 18.593 5.073 -3.047 576 HB2 ASN 69 1HB ASN 69 18.169 6.321 -5.302 577 HB3 ASN 69 2HB ASN 69 16.956 7.205 -4.380 578 HD21 ASN 69 2HD2 ASN 69 18.430 8.988 -5.031 579 HD22 ASN 69 1HD2 ASN 69 19.745 9.362 -3.975 580 H THR 70 H THR 70 15.144 5.052 -3.249 581 HA THR 70 HA THR 70 14.353 6.837 -1.314 582 HB THR 70 HB THR 70 12.744 4.601 -0.843 583 HG1 THR 70 HG1 THR 70 13.937 3.643 -2.656 584 HG21 THR 70 3HG2 THR 70 12.359 6.723 -2.955 585 HG22 THR 70 1HG2 THR 70 12.060 6.963 -1.234 586 HG23 THR 70 2HG2 THR 70 11.101 5.794 -2.142 587 H LYS 71 H LYS 71 15.475 3.502 -0.850 588 HA LYS 71 HA LYS 71 16.355 2.438 0.960 589 HB2 LYS 71 1HB LYS 71 17.842 3.663 2.102 590 HB3 LYS 71 2HB LYS 71 17.267 5.044 1.177 591 HG2 LYS 71 1HG LYS 71 15.525 5.348 3.000 592 HG3 LYS 71 2HG LYS 71 16.473 4.195 3.943 593 HD2 LYS 71 1HD LYS 71 18.005 6.392 2.716 594 HD3 LYS 71 2HD LYS 71 16.864 6.873 3.974 595 HE2 LYS 71 1HE LYS 71 18.681 4.556 4.454 596 HE3 LYS 71 2HE LYS 71 19.322 6.194 4.581 597 HZ1 LYS 71 3HZ LYS 71 18.615 5.894 6.701 598 HZ2 LYS 71 1HZ LYS 71 17.377 4.822 6.276 599 HZ3 LYS 71 2HZ LYS 71 17.171 6.485 6.048 600 H ILE 72 H ILE 72 15.564 1.402 2.751 601 HA ILE 72 HA ILE 72 13.165 2.545 4.013 602 HB ILE 72 HB ILE 72 12.392 0.873 2.439 603 HG12 ILE 72 1HG1 ILE 72 11.624 1.037 4.996 604 HG13 ILE 72 2HG1 ILE 72 10.915 -0.120 3.875 605 HG21 ILE 72 1HG2 ILE 72 13.084 -1.554 2.910 606 HG22 ILE 72 2HG2 ILE 72 14.219 -0.521 2.042 607 HG23 ILE 72 3HG2 ILE 72 14.461 -0.849 3.758 608 HD11 ILE 72 3HD1 ILE 72 13.293 -0.892 5.499 609 HD12 ILE 72 1HD1 ILE 72 11.684 -0.895 6.222 610 HD13 ILE 72 2HD1 ILE 72 12.021 -1.905 4.815 611 H MET 73 H MET 73 12.856 2.065 6.183 612 HA MET 73 HA MET 73 15.104 0.695 7.507 613 HB2 MET 73 1HB MET 73 13.512 3.061 8.513 614 HB3 MET 73 2HB MET 73 14.767 2.225 9.418 615 HG2 MET 73 1HG MET 73 15.356 3.427 6.746 616 HG3 MET 73 2HG MET 73 15.344 4.418 8.203 617 HE1 MET 73 3HE MET 73 17.789 5.130 8.696 618 HE2 MET 73 1HE MET 73 16.996 4.347 10.063 619 HE3 MET 73 2HE MET 73 18.675 3.967 9.683 620 H MET 74 H MET 74 14.620 -0.913 8.880 621 HA MET 74 HA MET 74 11.791 -1.537 9.286 622 HB2 MET 74 1HB MET 74 13.670 -3.170 8.417 623 HB3 MET 74 2HB MET 74 13.998 -3.365 10.134 624 HG2 MET 74 1HG MET 74 12.089 -4.508 10.514 625 HG3 MET 74 2HG MET 74 11.181 -3.614 9.297 626 HE1 MET 74 3HE MET 74 10.622 -4.545 6.967 627 HE2 MET 74 1HE MET 74 10.649 -6.305 6.858 628 HE3 MET 74 2HE MET 74 9.929 -5.520 8.264 629 H MET 75 H MET 75 10.816 -1.290 11.191 630 HA MET 75 HA MET 75 12.454 -1.151 13.623 631 HB2 MET 75 1HB MET 75 12.054 1.147 13.073 632 HB3 MET 75 2HB MET 75 10.352 0.835 12.760 633 HG2 MET 75 1HG MET 75 9.799 0.840 14.955 634 HG3 MET 75 2HG MET 75 11.359 0.198 15.464 635 HE1 MET 75 3HE MET 75 13.254 1.397 16.191 636 HE2 MET 75 1HE MET 75 13.666 2.174 14.662 637 HE3 MET 75 2HE MET 75 13.544 3.136 16.135 638 H GLY 76 H GLY 76 11.416 -1.804 15.533 639 HA2 GLY 76 1HA GLY 76 10.034 -3.185 16.743 640 HA3 GLY 76 2HA GLY 76 8.732 -2.355 15.905 641 H THR 77 H THR 77 11.160 -4.306 14.295 642 HA THR 77 HA THR 77 9.059 -6.278 13.668 643 HB THR 77 HB THR 77 11.384 -5.973 11.836 644 HG1 THR 77 HG1 THR 77 9.257 -4.102 12.081 645 HG21 THR 77 3HG2 THR 77 10.069 -7.450 10.786 646 HG22 THR 77 1HG2 THR 77 9.029 -6.081 10.395 647 HG23 THR 77 2HG2 THR 77 8.687 -7.071 11.814 648 H ARG 78 H ARG 78 12.462 -5.766 14.404 649 HA ARG 78 HA ARG 78 12.633 -8.520 15.349 650 HB2 ARG 78 1HB ARG 78 13.503 -8.191 12.895 651 HB3 ARG 78 2HB ARG 78 14.900 -7.481 13.693 652 HG2 ARG 78 1HG ARG 78 15.592 -9.643 13.518 653 HG3 ARG 78 2HG ARG 78 14.809 -9.702 15.099 654 HD2 ARG 78 1HD ARG 78 13.036 -10.918 14.329 655 HD3 ARG 78 2HD ARG 78 13.144 -10.246 12.702 656 HE ARG 78 HE ARG 78 14.372 -12.633 13.649 657 HH11 ARG 78 1HH1 ARG 78 14.790 -9.964 11.454 658 HH12 ARG 78 2HH1 ARG 78 15.811 -10.847 10.368 659 HH21 ARG 78 1HH2 ARG 78 15.715 -13.807 12.227 660 HH22 ARG 78 2HH2 ARG 78 16.336 -13.033 10.808 661 H GLU 79 H GLU 79 13.865 -8.743 17.143 662 HA GLU 79 HA GLU 79 15.069 -6.299 18.218 663 HB2 GLU 79 1HB GLU 79 13.409 -7.443 19.619 664 HB3 GLU 79 2HB GLU 79 14.381 -8.908 19.584 665 HG2 GLU 79 1HG GLU 79 16.057 -7.966 20.916 666 HG3 GLU 79 2HG GLU 79 15.467 -6.327 20.649 667 H GLU 80 H GLU 80 15.887 -9.400 16.971 668 HA GLU 80 HA GLU 80 18.382 -9.784 18.224 669 HB2 GLU 80 1HB GLU 80 17.067 -10.827 15.757 670 HB3 GLU 80 2HB GLU 80 18.795 -11.082 15.950 671 HG2 GLU 80 1HG GLU 80 18.043 -12.982 16.921 672 HG3 GLU 80 2HG GLU 80 18.037 -11.930 18.336 673 H SER 81 H SER 81 19.621 -7.942 18.243 674 HA SER 81 HA SER 81 20.126 -6.411 15.872 675 HB2 SER 81 1HB SER 81 20.233 -5.161 17.866 676 HB3 SER 81 2HB SER 81 21.236 -6.367 18.672 677 HG SER 81 HG SER 81 22.708 -4.920 18.102 Start of MODEL 16 1 H1 MET 1 H MET 1 1.053 0.863 -0.157 2 HA MET 1 HA MET 1 1.384 -1.411 -1.993 3 HB2 MET 1 1HB MET 1 1.861 1.545 -2.388 4 HB3 MET 1 2HB MET 1 2.318 0.319 -3.563 5 HG2 MET 1 1HG MET 1 -0.108 -0.387 -3.574 6 HG3 MET 1 2HG MET 1 -0.440 1.086 -2.665 7 HE1 MET 1 3HE MET 1 -1.811 2.708 -5.566 8 HE2 MET 1 1HE MET 1 -1.959 0.966 -5.804 9 HE3 MET 1 2HE MET 1 -2.093 1.648 -4.183 10 H ALA 2 H ALA 2 3.514 -1.885 -2.796 11 HA ALA 2 HA ALA 2 5.582 -1.349 -0.782 12 HB1 ALA 2 1HB ALA 2 4.939 -3.640 -2.514 13 HB2 ALA 2 2HB ALA 2 6.657 -3.295 -2.312 14 HB3 ALA 2 3HB ALA 2 5.646 -3.597 -0.899 15 H LEU 3 H LEU 3 7.301 -0.134 -1.248 16 HA LEU 3 HA LEU 3 7.669 0.729 -4.031 17 HB2 LEU 3 1HB LEU 3 8.893 2.006 -1.604 18 HB3 LEU 3 2HB LEU 3 8.683 2.694 -3.213 19 HG LEU 3 HG LEU 3 7.075 3.805 -1.990 20 HD11 LEU 3 1HD1 LEU 3 5.275 1.540 -2.626 21 HD12 LEU 3 2HD1 LEU 3 6.212 2.231 -3.950 22 HD13 LEU 3 3HD1 LEU 3 5.125 3.255 -3.012 23 HD21 LEU 3 3HD2 LEU 3 7.474 2.009 -0.061 24 HD22 LEU 3 1HD2 LEU 3 5.907 1.443 -0.640 25 HD23 LEU 3 2HD2 LEU 3 6.089 3.103 -0.071 26 HA PRO 4 HA PRO 4 11.461 -1.477 -4.357 27 HB2 PRO 4 1HB PRO 4 12.688 0.026 -6.257 28 HB3 PRO 4 2HB PRO 4 11.340 -1.060 -6.614 29 HG2 PRO 4 1HG PRO 4 11.326 1.905 -6.198 30 HG3 PRO 4 2HG PRO 4 10.473 0.942 -7.419 31 HD2 PRO 4 1HD PRO 4 9.255 1.876 -5.188 32 HD3 PRO 4 2HD PRO 4 8.796 0.343 -5.955 33 H MET 5 H MET 5 11.951 -0.662 -2.095 34 HA MET 5 HA MET 5 14.228 1.205 -2.194 35 HB2 MET 5 1HB MET 5 12.762 0.829 0.363 36 HB3 MET 5 2HB MET 5 13.565 2.259 -0.273 37 HG2 MET 5 1HG MET 5 11.716 2.601 -1.834 38 HG3 MET 5 2HG MET 5 10.911 1.174 -1.186 39 HE1 MET 5 3HE MET 5 10.120 4.015 -1.724 40 HE2 MET 5 1HE MET 5 8.843 4.077 -0.509 41 HE3 MET 5 2HE MET 5 10.204 5.193 -0.414 42 H ILE 6 H ILE 6 15.759 0.876 -0.313 43 HA ILE 6 HA ILE 6 16.163 -2.013 0.075 44 HB ILE 6 HB ILE 6 18.200 0.214 0.196 45 HG12 ILE 6 1HG1 ILE 6 17.879 -1.973 -1.867 46 HG13 ILE 6 2HG1 ILE 6 17.299 -0.325 -2.082 47 HG21 ILE 6 1HG2 ILE 6 18.723 -1.642 1.703 48 HG22 ILE 6 2HG2 ILE 6 18.573 -2.773 0.359 49 HG23 ILE 6 3HG2 ILE 6 19.857 -1.564 0.355 50 HD11 ILE 6 3HD1 ILE 6 19.657 0.445 -1.756 51 HD12 ILE 6 1HD1 ILE 6 20.143 -1.249 -1.809 52 HD13 ILE 6 2HD1 ILE 6 19.371 -0.509 -3.212 53 H VAL 7 H VAL 7 16.358 -2.859 2.080 54 HA VAL 7 HA VAL 7 15.932 -1.026 4.336 55 HB VAL 7 HB VAL 7 14.213 -2.668 4.241 56 HG11 VAL 7 1HG1 VAL 7 16.464 -4.596 3.801 57 HG12 VAL 7 2HG1 VAL 7 14.904 -5.146 4.418 58 HG13 VAL 7 3HG1 VAL 7 15.002 -4.354 2.845 59 HG21 VAL 7 3HG2 VAL 7 16.205 -3.580 6.315 60 HG22 VAL 7 1HG2 VAL 7 15.144 -2.180 6.474 61 HG23 VAL 7 2HG2 VAL 7 14.457 -3.801 6.366 62 H LYS 8 H LYS 8 17.388 -0.819 5.929 63 HA LYS 8 HA LYS 8 19.410 -2.821 6.412 64 HB2 LYS 8 1HB LYS 8 21.169 -0.835 6.220 65 HB3 LYS 8 2HB LYS 8 20.779 -1.867 4.850 66 HG2 LYS 8 1HG LYS 8 19.490 -0.233 3.823 67 HG3 LYS 8 2HG LYS 8 19.276 0.676 5.321 68 HD2 LYS 8 1HD LYS 8 22.026 0.325 4.221 69 HD3 LYS 8 2HD LYS 8 20.947 1.503 3.469 70 HE2 LYS 8 1HE LYS 8 20.571 2.444 5.782 71 HE3 LYS 8 2HE LYS 8 21.894 1.415 6.326 72 HZ1 LYS 8 3HZ LYS 8 22.323 3.202 4.035 73 HZ2 LYS 8 1HZ LYS 8 23.436 2.629 5.174 74 HZ3 LYS 8 2HZ LYS 8 22.346 3.852 5.597 75 H TRP 9 H TRP 9 18.644 -2.924 8.502 76 HA TRP 9 HA TRP 9 18.902 -0.473 10.114 77 HB2 TRP 9 1HB TRP 9 16.639 -1.571 10.021 78 HB3 TRP 9 2HB TRP 9 17.350 -2.966 10.829 79 HD1 TRP 9 HD1 TRP 9 16.636 -2.940 13.278 80 HE1 TRP 9 HE1 TRP 9 16.402 -1.157 15.120 81 HE3 TRP 9 HE3 TRP 9 17.847 1.210 10.549 82 HZ2 TRP 9 HZ2 TRP 9 16.693 1.638 15.382 83 HZ3 TRP 9 HZ3 TRP 9 17.845 3.401 11.671 84 HH2 TRP 9 HH2 TRP 9 17.279 3.608 14.036 85 H GLY 10 H GLY 10 21.265 -1.607 9.601 86 HA2 GLY 10 1HA GLY 10 23.164 -2.252 10.737 87 HA3 GLY 10 2HA GLY 10 22.196 -2.331 12.202 88 H GLY 11 H GLY 11 20.879 -4.273 12.531 89 HA2 GLY 11 1HA GLY 11 22.339 -6.616 12.344 90 HA3 GLY 11 2HA GLY 11 20.602 -6.552 12.602 91 H GLN 12 H GLN 12 19.222 -6.439 10.688 92 HA GLN 12 HA GLN 12 20.345 -8.073 8.541 93 HB2 GLN 12 1HB GLN 12 18.409 -9.143 8.985 94 HB3 GLN 12 2HB GLN 12 17.691 -7.730 9.747 95 HG2 GLN 12 1HG GLN 12 16.934 -6.871 7.709 96 HG3 GLN 12 2HG GLN 12 17.985 -7.932 6.773 97 HE21 GLN 12 2HE2 GLN 12 17.558 -10.359 7.450 98 HE22 GLN 12 1HE2 GLN 12 15.895 -10.821 7.370 99 H GLU 13 H GLU 13 20.588 -7.383 6.493 100 HA GLU 13 HA GLU 13 19.436 -4.784 5.748 101 HB2 GLU 13 1HB GLU 13 21.666 -4.202 6.258 102 HB3 GLU 13 2HB GLU 13 22.305 -5.659 5.511 103 HG2 GLU 13 1HG GLU 13 22.015 -4.836 3.358 104 HG3 GLU 13 2HG GLU 13 20.867 -3.606 3.882 105 H TYR 14 H TYR 14 17.891 -5.716 4.439 106 HA TYR 14 HA TYR 14 18.862 -7.358 2.200 107 HB2 TYR 14 1HB TYR 14 16.768 -7.826 3.927 108 HB3 TYR 14 2HB TYR 14 15.959 -7.140 2.523 109 HD1 TYR 14 HD1 TYR 14 18.815 -9.512 3.005 110 HD2 TYR 14 HD2 TYR 14 15.045 -8.768 1.178 111 HE1 TYR 14 HE1 TYR 14 18.937 -11.695 1.878 112 HE2 TYR 14 HE2 TYR 14 15.157 -10.949 0.047 113 HH TYR 14 HH TYR 14 17.949 -13.103 0.480 114 H SER 15 H SER 15 16.940 -7.051 0.354 115 HA SER 15 HA SER 15 16.880 -4.162 -0.217 116 HB2 SER 15 1HB SER 15 17.656 -6.440 -2.032 117 HB3 SER 15 2HB SER 15 17.121 -4.886 -2.672 118 HG SER 15 HG SER 15 19.288 -4.698 -2.503 119 H VAL 16 H VAL 16 14.815 -3.575 -0.084 120 HA VAL 16 HA VAL 16 12.696 -5.417 -0.848 121 HB VAL 16 HB VAL 16 12.334 -2.591 0.130 122 HG11 VAL 16 1HG1 VAL 16 10.584 -4.768 -0.575 123 HG12 VAL 16 2HG1 VAL 16 10.346 -4.293 1.107 124 HG13 VAL 16 3HG1 VAL 16 10.191 -3.095 -0.179 125 HG21 VAL 16 3HG2 VAL 16 11.937 -3.939 2.369 126 HG22 VAL 16 1HG2 VAL 16 13.093 -5.045 1.627 127 HG23 VAL 16 2HG2 VAL 16 13.540 -3.363 1.913 128 H THR 17 H THR 17 14.200 -4.744 -3.034 129 HA THR 17 HA THR 17 13.136 -2.505 -4.454 130 HB THR 17 HB THR 17 15.360 -3.338 -4.990 131 HG1 THR 17 HG1 THR 17 15.122 -3.072 -7.142 132 HG21 THR 17 3HG2 THR 17 15.865 -5.481 -5.459 133 HG22 THR 17 1HG2 THR 17 14.438 -5.699 -6.471 134 HG23 THR 17 2HG2 THR 17 14.305 -5.839 -4.718 135 H THR 18 H THR 18 12.122 -2.827 -6.663 136 HA THR 18 HA THR 18 9.761 -4.476 -6.326 137 HB THR 18 HB THR 18 9.559 -2.147 -7.150 138 HG1 THR 18 HG1 THR 18 8.122 -4.020 -7.793 139 HG21 THR 18 3HG2 THR 18 11.656 -2.175 -8.505 140 HG22 THR 18 1HG2 THR 18 10.255 -1.546 -9.372 141 HG23 THR 18 2HG2 THR 18 10.823 -3.186 -9.686 142 H LEU 19 H LEU 19 12.784 -4.958 -7.581 143 HA LEU 19 HA LEU 19 13.704 -6.614 -8.841 144 HB2 LEU 19 1HB LEU 19 11.015 -7.872 -9.195 145 HB3 LEU 19 2HB LEU 19 12.595 -8.641 -9.068 146 HG LEU 19 HG LEU 19 11.161 -7.305 -6.775 147 HD11 LEU 19 1HD1 LEU 19 10.275 -9.546 -7.933 148 HD12 LEU 19 2HD1 LEU 19 10.200 -9.268 -6.194 149 HD13 LEU 19 3HD1 LEU 19 11.505 -10.238 -6.875 150 HD21 LEU 19 3HD2 LEU 19 13.810 -8.523 -7.145 151 HD22 LEU 19 1HD2 LEU 19 12.931 -9.058 -5.712 152 HD23 LEU 19 2HD2 LEU 19 13.255 -7.341 -5.958 153 H SER 20 H SER 20 12.938 -7.985 -11.047 154 HA SER 20 HA SER 20 12.859 -5.920 -13.029 155 HB2 SER 20 1HB SER 20 12.588 -8.874 -13.571 156 HB3 SER 20 2HB SER 20 13.273 -7.629 -14.616 157 HG SER 20 HG SER 20 14.727 -9.107 -13.304 158 H GLU 21 H GLU 21 11.329 -5.847 -14.812 159 HA GLU 21 HA GLU 21 8.691 -5.592 -14.007 160 HB2 GLU 21 1HB GLU 21 8.153 -5.577 -16.461 161 HB3 GLU 21 2HB GLU 21 9.425 -4.463 -15.978 162 HG2 GLU 21 1HG GLU 21 11.117 -5.966 -16.808 163 HG3 GLU 21 2HG GLU 21 9.893 -7.175 -17.194 164 H ASP 22 H ASP 22 10.331 -8.341 -15.478 165 HA ASP 22 HA ASP 22 8.074 -9.923 -16.007 166 HB2 ASP 22 1HB ASP 22 10.976 -10.527 -15.537 167 HB3 ASP 22 2HB ASP 22 9.814 -11.843 -15.693 168 H ASP 23 H ASP 23 10.015 -9.514 -13.098 169 HA ASP 23 HA ASP 23 8.544 -11.556 -11.663 170 HB2 ASP 23 1HB ASP 23 10.606 -9.577 -10.666 171 HB3 ASP 23 2HB ASP 23 9.976 -10.953 -9.764 172 H THR 24 H THR 24 8.026 -10.693 -9.241 173 HA THR 24 HA THR 24 6.591 -8.157 -9.360 174 HB THR 24 HB THR 24 4.650 -9.582 -8.165 175 HG1 THR 24 HG1 THR 24 6.081 -11.504 -8.931 176 HG21 THR 24 3HG2 THR 24 4.965 -9.238 -11.149 177 HG22 THR 24 1HG2 THR 24 4.344 -8.028 -10.027 178 HG23 THR 24 2HG2 THR 24 3.445 -9.520 -10.301 179 H VAL 25 H VAL 25 5.444 -7.815 -7.135 180 HA VAL 25 HA VAL 25 7.464 -7.853 -5.151 181 HB VAL 25 HB VAL 25 4.517 -7.229 -4.934 182 HG11 VAL 25 1HG1 VAL 25 5.148 -7.793 -2.747 183 HG12 VAL 25 2HG1 VAL 25 6.732 -7.033 -2.916 184 HG13 VAL 25 3HG1 VAL 25 5.281 -6.036 -2.812 185 HG21 VAL 25 3HG2 VAL 25 6.956 -5.656 -5.568 186 HG22 VAL 25 1HG2 VAL 25 5.318 -5.515 -6.208 187 HG23 VAL 25 2HG2 VAL 25 5.698 -4.878 -4.607 188 H LEU 26 H LEU 26 4.884 -10.021 -5.955 189 HA LEU 26 HA LEU 26 4.509 -11.332 -3.521 190 HB2 LEU 26 1HB LEU 26 3.726 -13.232 -4.867 191 HB3 LEU 26 2HB LEU 26 3.036 -11.697 -5.388 192 HG LEU 26 HG LEU 26 5.099 -11.849 -7.094 193 HD11 LEU 26 1HD1 LEU 26 4.936 -14.460 -5.924 194 HD12 LEU 26 2HD1 LEU 26 6.067 -13.842 -7.127 195 HD13 LEU 26 3HD1 LEU 26 4.531 -14.540 -7.639 196 HD21 LEU 26 3HD2 LEU 26 3.415 -13.002 -8.653 197 HD22 LEU 26 1HD2 LEU 26 2.959 -11.459 -7.931 198 HD23 LEU 26 2HD2 LEU 26 2.321 -12.965 -7.270 199 H ASP 27 H ASP 27 7.022 -11.655 -5.937 200 HA ASP 27 HA ASP 27 8.136 -14.085 -5.067 201 HB2 ASP 27 1HB ASP 27 8.650 -12.897 -7.227 202 HB3 ASP 27 2HB ASP 27 9.643 -11.774 -6.301 203 H LEU 28 H LEU 28 9.583 -10.864 -4.579 204 HA LEU 28 HA LEU 28 11.370 -11.588 -2.598 205 HB2 LEU 28 1HB LEU 28 11.707 -9.322 -2.210 206 HB3 LEU 28 2HB LEU 28 11.152 -9.388 -3.881 207 HG LEU 28 HG LEU 28 8.806 -8.935 -2.716 208 HD11 LEU 28 1HD1 LEU 28 10.551 -8.721 -0.548 209 HD12 LEU 28 2HD1 LEU 28 8.859 -8.228 -0.615 210 HD13 LEU 28 3HD1 LEU 28 10.132 -7.063 -0.981 211 HD21 LEU 28 3HD2 LEU 28 10.958 -7.145 -3.693 212 HD22 LEU 28 1HD2 LEU 28 9.579 -6.396 -2.888 213 HD23 LEU 28 2HD2 LEU 28 9.327 -7.404 -4.313 214 H LYS 29 H LYS 29 7.975 -10.735 -2.332 215 HA LYS 29 HA LYS 29 7.715 -10.294 0.376 216 HB2 LYS 29 1HB LYS 29 5.887 -10.082 -1.288 217 HB3 LYS 29 2HB LYS 29 5.788 -11.836 -1.372 218 HG2 LYS 29 1HG LYS 29 5.286 -11.823 1.088 219 HG3 LYS 29 2HG LYS 29 5.147 -10.067 0.973 220 HD2 LYS 29 1HD LYS 29 3.455 -10.496 -0.890 221 HD3 LYS 29 2HD LYS 29 3.443 -12.171 -0.335 222 HE2 LYS 29 1HE LYS 29 2.983 -11.162 1.992 223 HE3 LYS 29 2HE LYS 29 2.560 -9.696 1.109 224 HZ1 LYS 29 3HZ LYS 29 1.340 -12.306 0.448 225 HZ2 LYS 29 1HZ LYS 29 0.787 -10.756 0.058 226 HZ3 LYS 29 2HZ LYS 29 0.697 -11.309 1.654 227 H GLN 30 H GLN 30 7.332 -13.439 -1.269 228 HA GLN 30 HA GLN 30 7.119 -14.961 1.082 229 HB2 GLN 30 1HB GLN 30 8.013 -15.736 -1.697 230 HB3 GLN 30 2HB GLN 30 7.727 -16.894 -0.404 231 HG2 GLN 30 1HG GLN 30 5.404 -16.255 -0.292 232 HG3 GLN 30 2HG GLN 30 5.664 -14.993 -1.495 233 HE21 GLN 30 2HE2 GLN 30 4.214 -17.774 -1.194 234 HE22 GLN 30 1HE2 GLN 30 4.479 -18.484 -2.746 235 H PHE 31 H PHE 31 9.880 -13.794 -0.708 236 HA PHE 31 HA PHE 31 11.829 -15.485 0.456 237 HB2 PHE 31 1HB PHE 31 11.846 -12.970 -1.126 238 HB3 PHE 31 2HB PHE 31 13.293 -13.332 -0.191 239 HD1 PHE 31 HD2 PHE 31 10.948 -15.517 -2.093 240 HD2 PHE 31 HD1 PHE 31 14.924 -14.066 -1.635 241 HE1 PHE 31 HE2 PHE 31 11.707 -17.044 -3.868 242 HE2 PHE 31 HE1 PHE 31 15.688 -15.590 -3.409 243 HZ PHE 31 HZ PHE 31 14.079 -17.082 -4.527 244 H LEU 32 H LEU 32 10.347 -12.481 1.452 245 HA LEU 32 HA LEU 32 12.229 -11.964 3.561 246 HB2 LEU 32 1HB LEU 32 9.511 -10.813 2.957 247 HB3 LEU 32 2HB LEU 32 10.558 -10.250 4.259 248 HG LEU 32 HG LEU 32 11.067 -10.052 1.294 249 HD11 LEU 32 1HD1 LEU 32 10.542 -8.020 3.453 250 HD12 LEU 32 2HD1 LEU 32 9.544 -8.376 2.043 251 HD13 LEU 32 3HD1 LEU 32 11.122 -7.616 1.836 252 HD21 LEU 32 3HD2 LEU 32 13.198 -10.440 2.104 253 HD22 LEU 32 1HD2 LEU 32 12.868 -9.654 3.648 254 HD23 LEU 32 2HD2 LEU 32 13.079 -8.682 2.192 255 H LYS 33 H LYS 33 9.141 -13.579 3.245 256 HA LYS 33 HA LYS 33 8.632 -13.798 6.047 257 HB2 LYS 33 1HB LYS 33 6.690 -14.006 4.812 258 HB3 LYS 33 2HB LYS 33 7.461 -14.976 3.564 259 HG2 LYS 33 1HG LYS 33 7.227 -16.151 6.277 260 HG3 LYS 33 2HG LYS 33 5.761 -16.011 5.303 261 HD2 LYS 33 1HD LYS 33 7.422 -17.040 3.464 262 HD3 LYS 33 2HD LYS 33 8.145 -17.722 4.923 263 HE2 LYS 33 1HE LYS 33 5.191 -17.884 4.576 264 HE3 LYS 33 2HE LYS 33 6.213 -18.970 3.635 265 HZ1 LYS 33 3HZ LYS 33 7.275 -19.262 6.056 266 HZ2 LYS 33 1HZ LYS 33 6.029 -20.241 5.464 267 HZ3 LYS 33 2HZ LYS 33 5.671 -18.942 6.486 268 H THR 34 H THR 34 10.483 -15.602 3.742 269 HA THR 34 HA THR 34 10.716 -17.922 5.481 270 HB THR 34 HB THR 34 10.576 -18.305 3.069 271 HG1 THR 34 HG1 THR 34 13.238 -18.964 3.677 272 HG21 THR 34 3HG2 THR 34 13.193 -16.803 2.928 273 HG22 THR 34 1HG2 THR 34 11.644 -16.243 2.297 274 HG23 THR 34 2HG2 THR 34 12.424 -17.659 1.592 275 H LEU 35 H LEU 35 12.576 -15.124 4.499 276 HA LEU 35 HA LEU 35 14.991 -16.060 5.793 277 HB2 LEU 35 1HB LEU 35 14.199 -13.725 4.154 278 HB3 LEU 35 2HB LEU 35 15.526 -13.488 5.289 279 HG LEU 35 HG LEU 35 15.768 -15.874 3.588 280 HD11 LEU 35 1HD1 LEU 35 16.617 -14.392 1.693 281 HD12 LEU 35 2HD1 LEU 35 15.663 -13.106 2.432 282 HD13 LEU 35 3HD1 LEU 35 14.870 -14.574 1.860 283 HD21 LEU 35 3HD2 LEU 35 17.460 -14.855 5.211 284 HD22 LEU 35 1HD2 LEU 35 17.712 -13.621 3.976 285 HD23 LEU 35 2HD2 LEU 35 18.041 -15.314 3.609 286 H THR 36 H THR 36 12.596 -13.486 6.308 287 HA THR 36 HA THR 36 13.723 -12.964 8.956 288 HB THR 36 HB THR 36 12.705 -10.908 8.936 289 HG1 THR 36 HG1 THR 36 10.735 -12.006 7.189 290 HG21 THR 36 3HG2 THR 36 13.242 -9.892 6.944 291 HG22 THR 36 1HG2 THR 36 12.545 -11.186 5.970 292 HG23 THR 36 2HG2 THR 36 14.103 -11.420 6.762 293 H GLY 37 H GLY 37 10.701 -13.980 7.413 294 HA2 GLY 37 1HA GLY 37 8.774 -14.883 8.293 295 HA3 GLY 37 2HA GLY 37 9.891 -15.782 9.309 296 H VAL 38 H VAL 38 9.631 -12.302 9.459 297 HA VAL 38 HA VAL 38 8.228 -12.553 12.040 298 HB VAL 38 HB VAL 38 10.665 -12.039 12.303 299 HG11 VAL 38 1HG1 VAL 38 11.680 -10.296 11.312 300 HG12 VAL 38 2HG1 VAL 38 10.328 -10.377 10.181 301 HG13 VAL 38 3HG1 VAL 38 10.289 -9.234 11.525 302 HG21 VAL 38 3HG2 VAL 38 9.215 -9.626 13.251 303 HG22 VAL 38 1HG2 VAL 38 8.618 -11.204 13.766 304 HG23 VAL 38 2HG2 VAL 38 10.277 -10.728 14.129 305 H LEU 39 H LEU 39 8.126 -11.325 8.964 306 HA LEU 39 HA LEU 39 7.101 -8.735 9.313 307 HB2 LEU 39 1HB LEU 39 6.570 -10.746 7.132 308 HB3 LEU 39 2HB LEU 39 6.131 -9.040 7.056 309 HG LEU 39 HG LEU 39 8.873 -10.269 6.986 310 HD11 LEU 39 1HD1 LEU 39 9.066 -9.084 4.906 311 HD12 LEU 39 2HD1 LEU 39 7.509 -8.296 5.162 312 HD13 LEU 39 3HD1 LEU 39 7.582 -10.036 4.884 313 HD21 LEU 39 3HD2 LEU 39 8.157 -7.372 7.425 314 HD22 LEU 39 1HD2 LEU 39 9.769 -7.978 7.046 315 HD23 LEU 39 2HD2 LEU 39 8.990 -8.433 8.562 316 HA PRO 40 HA PRO 40 2.738 -10.856 9.216 317 HB2 PRO 40 1HB PRO 40 2.683 -13.507 9.800 318 HB3 PRO 40 2HB PRO 40 2.841 -12.890 8.151 319 HG2 PRO 40 1HG PRO 40 4.962 -13.901 10.007 320 HG3 PRO 40 2HG PRO 40 4.750 -14.212 8.274 321 HD2 PRO 40 1HD PRO 40 6.531 -12.407 9.224 322 HD3 PRO 40 2HD PRO 40 5.699 -12.201 7.669 323 H GLU 41 H GLU 41 5.237 -11.248 11.469 324 HA GLU 41 HA GLU 41 3.424 -11.827 13.688 325 HB2 GLU 41 1HB GLU 41 6.434 -11.584 13.573 326 HB3 GLU 41 2HB GLU 41 5.524 -11.919 15.039 327 HG2 GLU 41 1HG GLU 41 4.664 -13.978 14.017 328 HG3 GLU 41 2HG GLU 41 5.628 -13.649 12.578 329 H ARG 42 H ARG 42 6.211 -9.630 13.470 330 HA ARG 42 HA ARG 42 4.512 -7.379 14.225 331 HB2 ARG 42 1HB ARG 42 6.202 -6.750 16.010 332 HB3 ARG 42 2HB ARG 42 5.154 -8.113 16.383 333 HG2 ARG 42 1HG ARG 42 6.916 -9.671 15.891 334 HG3 ARG 42 2HG ARG 42 7.965 -8.364 15.337 335 HD2 ARG 42 1HD ARG 42 8.639 -8.941 17.550 336 HD3 ARG 42 2HD ARG 42 7.817 -7.384 17.631 337 HE ARG 42 HE ARG 42 6.186 -8.348 18.918 338 HH11 ARG 42 1HH1 ARG 42 8.078 -10.846 17.401 339 HH12 ARG 42 2HH1 ARG 42 7.344 -12.131 18.303 340 HH21 ARG 42 1HH2 ARG 42 5.213 -10.031 20.112 341 HH22 ARG 42 2HH2 ARG 42 5.714 -11.666 19.844 342 H GLN 43 H GLN 43 5.106 -5.545 13.242 343 HA GLN 43 HA GLN 43 7.842 -5.323 12.196 344 HB2 GLN 43 1HB GLN 43 5.383 -4.555 10.620 345 HB3 GLN 43 2HB GLN 43 7.053 -4.514 10.069 346 HG2 GLN 43 1HG GLN 43 7.193 -6.865 10.000 347 HG3 GLN 43 2HG GLN 43 5.692 -7.054 10.904 348 HE21 GLN 43 2HE2 GLN 43 3.712 -6.392 9.852 349 HE22 GLN 43 1HE2 GLN 43 3.583 -6.510 8.134 350 H LYS 44 H LYS 44 8.775 -3.444 12.668 351 HA LYS 44 HA LYS 44 7.059 -1.243 13.605 352 HB2 LYS 44 1HB LYS 44 9.699 -2.283 14.466 353 HB3 LYS 44 2HB LYS 44 9.499 -0.536 14.501 354 HG2 LYS 44 1HG LYS 44 7.333 -1.025 15.803 355 HG3 LYS 44 2HG LYS 44 8.026 -2.630 16.048 356 HD2 LYS 44 1HD LYS 44 9.642 -0.185 16.652 357 HD3 LYS 44 2HD LYS 44 8.445 -0.766 17.812 358 HE2 LYS 44 1HE LYS 44 10.593 -2.524 16.648 359 HE3 LYS 44 2HE LYS 44 10.811 -1.601 18.134 360 HZ1 LYS 44 3HZ LYS 44 9.478 -4.071 17.751 361 HZ2 LYS 44 1HZ LYS 44 8.413 -2.936 18.415 362 HZ3 LYS 44 2HZ LYS 44 9.872 -3.285 19.196 363 H LEU 45 H LEU 45 8.643 -2.178 10.928 364 HA LEU 45 HA LEU 45 10.286 -0.114 10.121 365 HB2 LEU 45 1HB LEU 45 9.424 -0.674 7.784 366 HB3 LEU 45 2HB LEU 45 10.195 -1.960 8.711 367 HG LEU 45 HG LEU 45 7.939 -2.823 9.289 368 HD11 LEU 45 1HD1 LEU 45 7.147 -0.422 7.761 369 HD12 LEU 45 2HD1 LEU 45 6.348 -1.226 9.111 370 HD13 LEU 45 3HD1 LEU 45 6.207 -1.888 7.483 371 HD21 LEU 45 3HD2 LEU 45 9.400 -3.394 7.174 372 HD22 LEU 45 1HD2 LEU 45 8.037 -2.673 6.319 373 HD23 LEU 45 2HD2 LEU 45 7.780 -4.063 7.373 374 H LEU 46 H LEU 46 9.720 1.489 8.318 375 HA LEU 46 HA LEU 46 7.128 2.771 8.855 376 HB2 LEU 46 1HB LEU 46 8.467 4.960 8.485 377 HB3 LEU 46 2HB LEU 46 8.491 4.173 10.062 378 HG LEU 46 HG LEU 46 10.696 5.071 9.259 379 HD11 LEU 46 1HD1 LEU 46 11.591 3.608 10.665 380 HD12 LEU 46 2HD1 LEU 46 11.371 2.287 9.517 381 HD13 LEU 46 3HD1 LEU 46 10.069 2.717 10.626 382 HD21 LEU 46 3HD2 LEU 46 10.878 2.669 7.494 383 HD22 LEU 46 1HD2 LEU 46 11.828 4.155 7.475 384 HD23 LEU 46 2HD2 LEU 46 10.171 4.161 6.871 385 H GLY 47 H GLY 47 6.392 4.217 7.152 386 HA2 GLY 47 1HA GLY 47 6.072 4.836 4.956 387 HA3 GLY 47 2HA GLY 47 7.715 4.306 4.625 388 H LEU 48 H LEU 48 8.054 1.964 4.359 389 HA LEU 48 HA LEU 48 6.088 0.881 2.588 390 HB2 LEU 48 1HB LEU 48 8.257 0.371 1.963 391 HB3 LEU 48 2HB LEU 48 8.750 -0.007 3.612 392 HG LEU 48 HG LEU 48 7.361 -2.088 3.455 393 HD11 LEU 48 1HD1 LEU 48 7.411 -1.973 0.516 394 HD12 LEU 48 2HD1 LEU 48 6.218 -0.939 1.300 395 HD13 LEU 48 3HD1 LEU 48 6.218 -2.675 1.609 396 HD21 LEU 48 3HD2 LEU 48 9.532 -1.870 1.375 397 HD22 LEU 48 1HD2 LEU 48 9.015 -3.322 2.233 398 HD23 LEU 48 2HD2 LEU 48 9.823 -2.021 3.108 399 H LYS 49 H LYS 49 4.893 -1.030 2.822 400 HA LYS 49 HA LYS 49 3.545 -2.509 3.904 401 HB2 LYS 49 1HB LYS 49 6.077 -2.602 5.462 402 HB3 LYS 49 2HB LYS 49 4.658 -3.352 6.182 403 HG2 LYS 49 1HG LYS 49 5.780 -4.001 3.464 404 HG3 LYS 49 2HG LYS 49 6.024 -4.952 4.931 405 HD2 LYS 49 1HD LYS 49 3.494 -5.119 5.067 406 HD3 LYS 49 2HD LYS 49 3.463 -4.474 3.425 407 HE2 LYS 49 1HE LYS 49 5.017 -6.926 4.228 408 HE3 LYS 49 2HE LYS 49 3.372 -6.978 3.598 409 HZ1 LYS 49 3HZ LYS 49 4.144 -6.804 1.544 410 HZ2 LYS 49 1HZ LYS 49 5.722 -6.925 2.144 411 HZ3 LYS 49 2HZ LYS 49 5.017 -5.404 1.919 412 H VAL 50 H VAL 50 2.274 -0.432 4.210 413 HA VAL 50 HA VAL 50 2.199 0.682 6.861 414 HB VAL 50 HB VAL 50 1.656 2.104 4.969 415 HG11 VAL 50 1HG1 VAL 50 -0.451 1.758 3.712 416 HG12 VAL 50 2HG1 VAL 50 0.736 0.480 3.445 417 HG13 VAL 50 3HG1 VAL 50 -0.638 0.199 4.515 418 HG21 VAL 50 3HG2 VAL 50 0.498 2.291 7.273 419 HG22 VAL 50 1HG2 VAL 50 -0.142 3.227 5.922 420 HG23 VAL 50 2HG2 VAL 50 -0.940 1.735 6.418 421 H LYS 51 H LYS 51 0.601 0.434 8.409 422 HA LYS 51 HA LYS 51 -0.640 -2.137 8.513 423 HB2 LYS 51 1HB LYS 51 0.260 -0.867 10.494 424 HB3 LYS 51 2HB LYS 51 -1.121 0.212 10.350 425 HG2 LYS 51 1HG LYS 51 -2.553 -1.900 10.545 426 HG3 LYS 51 2HG LYS 51 -1.077 -2.686 11.108 427 HD2 LYS 51 1HD LYS 51 -2.062 -0.132 12.340 428 HD3 LYS 51 2HD LYS 51 -2.668 -1.704 12.868 429 HE2 LYS 51 1HE LYS 51 0.271 -1.102 12.730 430 HE3 LYS 51 2HE LYS 51 -0.694 -0.692 14.148 431 HZ1 LYS 51 3HZ LYS 51 0.346 -3.215 13.353 432 HZ2 LYS 51 1HZ LYS 51 -1.330 -3.300 13.566 433 HZ3 LYS 51 2HZ LYS 51 -0.344 -2.758 14.829 434 H GLY 52 H GLY 52 -2.738 -2.713 8.208 435 HA2 GLY 52 1HA GLY 52 -5.029 -2.429 7.868 436 HA3 GLY 52 2HA GLY 52 -4.792 -0.688 7.885 437 H LYS 53 H LYS 53 -2.485 -1.584 5.862 438 HA LYS 53 HA LYS 53 -4.067 -2.147 3.507 439 HB2 LYS 53 1HB LYS 53 -2.757 0.528 3.959 440 HB3 LYS 53 2HB LYS 53 -3.085 -0.083 2.343 441 HG2 LYS 53 1HG LYS 53 -5.507 -0.383 3.234 442 HG3 LYS 53 2HG LYS 53 -4.998 0.774 4.466 443 HD2 LYS 53 1HD LYS 53 -4.368 2.363 2.721 444 HD3 LYS 53 2HD LYS 53 -4.849 1.203 1.481 445 HE2 LYS 53 1HE LYS 53 -6.728 2.248 3.590 446 HE3 LYS 53 2HE LYS 53 -6.530 3.007 2.011 447 HZ1 LYS 53 3HZ LYS 53 -8.204 0.911 2.651 448 HZ2 LYS 53 1HZ LYS 53 -6.963 0.221 1.731 449 HZ3 LYS 53 2HZ LYS 53 -7.864 1.508 1.105 450 HA PRO 54 HA PRO 54 0.265 -3.812 3.499 451 HB2 PRO 54 1HB PRO 54 -0.460 -6.332 2.794 452 HB3 PRO 54 2HB PRO 54 -0.416 -5.779 4.473 453 HG2 PRO 54 1HG PRO 54 -2.756 -6.036 2.623 454 HG3 PRO 54 2HG PRO 54 -2.629 -6.482 4.334 455 HD2 PRO 54 1HD PRO 54 -3.816 -4.193 3.510 456 HD3 PRO 54 2HD PRO 54 -2.946 -4.315 5.052 457 H ALA 55 H ALA 55 1.537 -4.092 1.712 458 HA ALA 55 HA ALA 55 0.766 -3.129 -0.749 459 HB1 ALA 55 1HB ALA 55 3.105 -3.423 0.007 460 HB2 ALA 55 2HB ALA 55 2.948 -5.156 -0.283 461 HB3 ALA 55 3HB ALA 55 2.822 -4.022 -1.628 462 H GLU 56 H GLU 56 0.795 -4.347 -2.860 463 HA GLU 56 HA GLU 56 -0.754 -6.839 -2.588 464 HB2 GLU 56 1HB GLU 56 -1.944 -4.769 -3.495 465 HB3 GLU 56 2HB GLU 56 -0.927 -4.938 -4.919 466 HG2 GLU 56 1HG GLU 56 -1.950 -6.894 -5.586 467 HG3 GLU 56 2HG GLU 56 -2.545 -7.256 -3.967 468 H ASN 57 H ASN 57 -0.422 -8.482 -4.145 469 HA ASN 57 HA ASN 57 2.274 -8.865 -4.888 470 HB2 ASN 57 1HB ASN 57 1.380 -10.862 -6.129 471 HB3 ASN 57 2HB ASN 57 0.911 -10.787 -4.433 472 HD21 ASN 57 2HD2 ASN 57 -1.221 -10.336 -3.893 473 HD22 ASN 57 1HD2 ASN 57 -2.504 -10.461 -5.043 474 H ASP 58 H ASP 58 -0.555 -7.748 -6.647 475 HA ASP 58 HA ASP 58 0.356 -7.924 -9.257 476 HB2 ASP 58 1HB ASP 58 -1.942 -7.260 -8.604 477 HB3 ASP 58 2HB ASP 58 -1.321 -5.697 -8.081 478 H VAL 59 H VAL 59 1.291 -5.741 -6.727 479 HA VAL 59 HA VAL 59 2.337 -3.600 -8.123 480 HB VAL 59 HB VAL 59 3.457 -4.905 -5.639 481 HG11 VAL 59 1HG1 VAL 59 4.010 -2.215 -6.879 482 HG12 VAL 59 2HG1 VAL 59 4.447 -2.647 -5.224 483 HG13 VAL 59 3HG1 VAL 59 5.160 -3.519 -6.582 484 HG21 VAL 59 3HG2 VAL 59 1.962 -3.730 -4.407 485 HG22 VAL 59 1HG2 VAL 59 1.936 -2.373 -5.533 486 HG23 VAL 59 2HG2 VAL 59 1.012 -3.832 -5.889 487 H LYS 60 H LYS 60 4.274 -3.133 -9.108 488 HA LYS 60 HA LYS 60 6.482 -4.934 -9.156 489 HB2 LYS 60 1HB LYS 60 6.326 -5.322 -11.674 490 HB3 LYS 60 2HB LYS 60 5.254 -6.273 -10.655 491 HG2 LYS 60 1HG LYS 60 3.407 -5.353 -11.525 492 HG3 LYS 60 2HG LYS 60 4.116 -3.737 -11.583 493 HD2 LYS 60 1HD LYS 60 3.839 -4.264 -13.829 494 HD3 LYS 60 2HD LYS 60 5.528 -4.684 -13.533 495 HE2 LYS 60 1HE LYS 60 4.544 -6.458 -14.791 496 HE3 LYS 60 2HE LYS 60 4.789 -7.039 -13.145 497 HZ1 LYS 60 3HZ LYS 60 2.586 -7.195 -12.777 498 HZ2 LYS 60 1HZ LYS 60 2.507 -7.318 -14.463 499 HZ3 LYS 60 2HZ LYS 60 2.204 -5.835 -13.708 500 H LEU 61 H LEU 61 7.903 -4.233 -11.255 501 HA LEU 61 HA LEU 61 8.724 -1.605 -10.730 502 HB2 LEU 61 1HB LEU 61 10.255 -3.218 -11.630 503 HB3 LEU 61 2HB LEU 61 9.268 -3.412 -13.078 504 HG LEU 61 HG LEU 61 11.453 -2.029 -13.199 505 HD11 LEU 61 1HD1 LEU 61 10.641 -1.346 -15.155 506 HD12 LEU 61 2HD1 LEU 61 9.412 -0.343 -14.385 507 HD13 LEU 61 3HD1 LEU 61 9.107 -2.059 -14.656 508 HD21 LEU 61 3HD2 LEU 61 11.523 0.064 -12.337 509 HD22 LEU 61 1HD2 LEU 61 10.423 -0.646 -11.156 510 HD23 LEU 61 2HD2 LEU 61 9.783 0.309 -12.493 511 H GLY 62 H GLY 62 6.854 -2.942 -13.445 512 HA2 GLY 62 1HA GLY 62 6.544 -0.458 -14.790 513 HA3 GLY 62 2HA GLY 62 5.593 -1.910 -15.067 514 H ALA 63 H ALA 63 5.218 -1.533 -11.911 515 HA ALA 63 HA ALA 63 2.814 0.131 -12.244 516 HB1 ALA 63 1HB ALA 63 2.699 -2.345 -11.501 517 HB2 ALA 63 2HB ALA 63 3.230 -1.727 -9.937 518 HB3 ALA 63 3HB ALA 63 1.725 -1.147 -10.649 519 H LEU 64 H LEU 64 5.887 0.126 -10.897 520 HA LEU 64 HA LEU 64 5.121 2.193 -8.940 521 HB2 LEU 64 1HB LEU 64 7.582 0.456 -8.877 522 HB3 LEU 64 2HB LEU 64 7.067 1.607 -7.646 523 HG LEU 64 HG LEU 64 5.286 -0.691 -8.323 524 HD11 LEU 64 1HD1 LEU 64 7.918 -1.151 -7.673 525 HD12 LEU 64 2HD1 LEU 64 6.578 -2.271 -7.430 526 HD13 LEU 64 3HD1 LEU 64 7.100 -1.222 -6.113 527 HD21 LEU 64 3HD2 LEU 64 4.542 -0.422 -6.084 528 HD22 LEU 64 1HD2 LEU 64 4.639 1.193 -6.788 529 HD23 LEU 64 2HD2 LEU 64 5.900 0.633 -5.689 530 H LYS 65 H LYS 65 7.956 1.170 -10.853 531 HA LYS 65 HA LYS 65 9.443 2.345 -12.111 532 HB2 LYS 65 1HB LYS 65 7.468 4.625 -12.065 533 HB3 LYS 65 2HB LYS 65 8.712 4.307 -13.266 534 HG2 LYS 65 1HG LYS 65 6.368 2.489 -12.767 535 HG3 LYS 65 2HG LYS 65 6.388 3.764 -13.988 536 HD2 LYS 65 1HD LYS 65 8.402 1.523 -13.853 537 HD3 LYS 65 2HD LYS 65 6.949 1.487 -14.856 538 HE2 LYS 65 1HE LYS 65 7.719 3.518 -16.008 539 HE3 LYS 65 2HE LYS 65 9.183 3.508 -15.026 540 HZ1 LYS 65 3HZ LYS 65 8.912 0.986 -16.192 541 HZ2 LYS 65 1HZ LYS 65 10.101 2.152 -16.492 542 HZ3 LYS 65 2HZ LYS 65 8.684 2.131 -17.415 543 H LEU 66 H LEU 66 9.247 2.606 -9.126 544 HA LEU 66 HA LEU 66 10.307 5.262 -8.621 545 HB2 LEU 66 1HB LEU 66 9.238 3.055 -7.031 546 HB3 LEU 66 2HB LEU 66 10.632 3.845 -6.298 547 HG LEU 66 HG LEU 66 8.485 5.628 -7.272 548 HD11 LEU 66 1HD1 LEU 66 8.031 4.335 -4.632 549 HD12 LEU 66 2HD1 LEU 66 7.483 3.505 -6.088 550 HD13 LEU 66 3HD1 LEU 66 6.887 5.123 -5.719 551 HD21 LEU 66 3HD2 LEU 66 9.082 6.897 -5.349 552 HD22 LEU 66 1HD2 LEU 66 10.581 6.341 -6.092 553 HD23 LEU 66 2HD2 LEU 66 9.962 5.539 -4.648 554 H LYS 67 H LYS 67 12.243 5.119 -6.894 555 HA LYS 67 HA LYS 67 14.307 3.371 -8.061 556 HB2 LYS 67 1HB LYS 67 15.854 5.385 -7.371 557 HB3 LYS 67 2HB LYS 67 15.004 5.392 -8.911 558 HG2 LYS 67 1HG LYS 67 13.573 6.583 -6.621 559 HG3 LYS 67 2HG LYS 67 14.992 7.454 -7.209 560 HD2 LYS 67 1HD LYS 67 12.805 6.500 -9.043 561 HD3 LYS 67 2HD LYS 67 12.754 8.075 -8.246 562 HE2 LYS 67 1HE LYS 67 14.384 8.937 -9.556 563 HE3 LYS 67 2HE LYS 67 15.266 7.413 -9.644 564 HZ1 LYS 67 3HZ LYS 67 14.267 6.872 -11.545 565 HZ2 LYS 67 1HZ LYS 67 13.795 8.494 -11.643 566 HZ3 LYS 67 2HZ LYS 67 12.736 7.342 -11.000 567 HA PRO 68 HA PRO 68 15.392 2.114 -4.000 568 HB2 PRO 68 1HB PRO 68 18.097 1.932 -4.150 569 HB3 PRO 68 2HB PRO 68 17.011 0.786 -4.946 570 HG2 PRO 68 1HG PRO 68 18.455 3.142 -6.099 571 HG3 PRO 68 2HG PRO 68 18.243 1.518 -6.778 572 HD2 PRO 68 1HD PRO 68 16.742 3.631 -7.560 573 HD3 PRO 68 2HD PRO 68 16.110 1.972 -7.526 574 H ASN 69 H ASN 69 16.577 5.092 -5.240 575 HA ASN 69 HA ASN 69 18.163 6.052 -3.181 576 HB2 ASN 69 1HB ASN 69 17.507 7.116 -5.471 577 HB3 ASN 69 2HB ASN 69 16.191 7.849 -4.558 578 HD21 ASN 69 2HD2 ASN 69 19.702 7.399 -4.472 579 HD22 ASN 69 1HD2 ASN 69 20.058 8.950 -3.800 580 H THR 70 H THR 70 14.741 5.544 -3.280 581 HA THR 70 HA THR 70 13.770 7.281 -1.380 582 HB THR 70 HB THR 70 12.356 5.050 -0.748 583 HG1 THR 70 HG1 THR 70 13.899 4.014 -2.399 584 HG21 THR 70 3HG2 THR 70 12.066 6.807 -3.185 585 HG22 THR 70 1HG2 THR 70 11.363 7.077 -1.591 586 HG23 THR 70 2HG2 THR 70 10.810 5.727 -2.582 587 H LYS 71 H LYS 71 15.304 4.124 -0.844 588 HA LYS 71 HA LYS 71 16.313 3.212 0.980 589 HB2 LYS 71 1HB LYS 71 16.624 6.112 1.355 590 HB3 LYS 71 2HB LYS 71 16.726 5.178 2.842 591 HG2 LYS 71 1HG LYS 71 18.563 3.926 2.041 592 HG3 LYS 71 2HG LYS 71 18.340 4.521 0.394 593 HD2 LYS 71 1HD LYS 71 20.168 5.730 1.272 594 HD3 LYS 71 2HD LYS 71 18.795 6.838 1.321 595 HE2 LYS 71 1HE LYS 71 18.509 6.502 3.660 596 HE3 LYS 71 2HE LYS 71 19.650 5.158 3.670 597 HZ1 LYS 71 3HZ LYS 71 20.884 6.915 4.488 598 HZ2 LYS 71 1HZ LYS 71 20.197 8.045 3.433 599 HZ3 LYS 71 2HZ LYS 71 21.313 6.915 2.852 600 H ILE 72 H ILE 72 15.124 1.907 2.194 601 HA ILE 72 HA ILE 72 12.956 3.066 3.814 602 HB ILE 72 HB ILE 72 12.190 1.432 2.154 603 HG12 ILE 72 1HG1 ILE 72 11.376 1.620 4.695 604 HG13 ILE 72 2HG1 ILE 72 10.664 0.475 3.563 605 HG21 ILE 72 1HG2 ILE 72 12.815 -1.001 2.608 606 HG22 ILE 72 2HG2 ILE 72 14.021 0.011 1.814 607 HG23 ILE 72 3HG2 ILE 72 14.169 -0.353 3.533 608 HD11 ILE 72 3HD1 ILE 72 11.343 -0.328 5.912 609 HD12 ILE 72 1HD1 ILE 72 11.741 -1.331 4.516 610 HD13 ILE 72 2HD1 ILE 72 12.983 -0.325 5.263 611 H MET 73 H MET 73 12.713 2.458 5.968 612 HA MET 73 HA MET 73 15.065 1.140 7.155 613 HB2 MET 73 1HB MET 73 14.326 3.693 7.607 614 HB3 MET 73 2HB MET 73 13.380 2.888 8.853 615 HG2 MET 73 1HG MET 73 15.182 2.401 10.094 616 HG3 MET 73 2HG MET 73 16.185 2.046 8.688 617 HE1 MET 73 3HE MET 73 14.696 5.980 9.956 618 HE2 MET 73 1HE MET 73 14.458 4.451 10.803 619 HE3 MET 73 2HE MET 73 15.765 5.532 11.286 620 H MET 74 H MET 74 14.757 -0.557 8.492 621 HA MET 74 HA MET 74 11.970 -1.297 9.101 622 HB2 MET 74 1HB MET 74 13.115 -2.786 7.459 623 HB3 MET 74 2HB MET 74 14.306 -3.172 8.694 624 HG2 MET 74 1HG MET 74 12.422 -4.011 10.115 625 HG3 MET 74 2HG MET 74 11.371 -3.813 8.715 626 HE1 MET 74 3HE MET 74 14.463 -6.737 9.827 627 HE2 MET 74 1HE MET 74 15.251 -5.864 8.512 628 HE3 MET 74 2HE MET 74 14.634 -4.983 9.910 629 H MET 75 H MET 75 11.483 -1.232 11.186 630 HA MET 75 HA MET 75 13.657 -1.423 13.153 631 HB2 MET 75 1HB MET 75 11.068 0.031 13.064 632 HB3 MET 75 2HB MET 75 11.596 -0.560 14.634 633 HG2 MET 75 1HG MET 75 13.417 0.829 14.702 634 HG3 MET 75 2HG MET 75 13.514 0.965 12.948 635 HE1 MET 75 3HE MET 75 12.883 3.662 15.714 636 HE2 MET 75 1HE MET 75 14.123 3.103 14.591 637 HE3 MET 75 2HE MET 75 13.149 4.518 14.194 638 H GLY 76 H GLY 76 13.391 -2.701 15.041 639 HA2 GLY 76 1HA GLY 76 12.850 -4.642 16.139 640 HA3 GLY 76 2HA GLY 76 11.195 -4.297 15.659 641 H THR 77 H THR 77 10.230 -5.663 14.302 642 HA THR 77 HA THR 77 9.916 -7.586 13.101 643 HB THR 77 HB THR 77 11.536 -7.722 11.067 644 HG1 THR 77 HG1 THR 77 12.072 -5.061 11.926 645 HG21 THR 77 3HG2 THR 77 9.152 -6.660 11.318 646 HG22 THR 77 1HG2 THR 77 10.117 -6.345 9.877 647 HG23 THR 77 2HG2 THR 77 10.034 -5.141 11.163 648 H ARG 78 H ARG 78 11.026 -8.412 15.307 649 HA ARG 78 HA ARG 78 12.709 -10.601 14.466 650 HB2 ARG 78 1HB ARG 78 13.719 -8.408 16.250 651 HB3 ARG 78 2HB ARG 78 14.323 -10.050 16.428 652 HG2 ARG 78 1HG ARG 78 14.827 -9.928 13.917 653 HG3 ARG 78 2HG ARG 78 14.612 -8.186 14.104 654 HD2 ARG 78 1HD ARG 78 16.589 -9.932 15.564 655 HD3 ARG 78 2HD ARG 78 16.953 -8.745 14.311 656 HE ARG 78 HE ARG 78 15.699 -7.288 16.224 657 HH11 ARG 78 1HH1 ARG 78 18.419 -9.461 16.240 658 HH12 ARG 78 2HH1 ARG 78 19.223 -8.653 17.545 659 HH21 ARG 78 1HH2 ARG 78 16.747 -6.216 17.943 660 HH22 ARG 78 2HH2 ARG 78 18.270 -6.808 18.514 661 H GLU 79 H GLU 79 13.189 -12.074 16.375 662 HA GLU 79 HA GLU 79 11.055 -11.912 18.393 663 HB2 GLU 79 1HB GLU 79 10.524 -13.516 16.505 664 HB3 GLU 79 2HB GLU 79 11.890 -14.480 17.047 665 HG2 GLU 79 1HG GLU 79 10.751 -14.537 19.316 666 HG3 GLU 79 2HG GLU 79 9.326 -13.909 18.491 667 H GLU 80 H GLU 80 13.429 -10.997 19.100 668 HA GLU 80 HA GLU 80 14.272 -12.834 21.130 669 HB2 GLU 80 1HB GLU 80 16.571 -13.082 20.486 670 HB3 GLU 80 2HB GLU 80 15.568 -13.617 19.145 671 HG2 GLU 80 1HG GLU 80 15.886 -11.317 18.155 672 HG3 GLU 80 2HG GLU 80 17.117 -11.058 19.390 673 H SER 81 H SER 81 15.450 -11.840 22.778 674 HA SER 81 HA SER 81 15.387 -8.915 22.679 675 HB2 SER 81 1HB SER 81 15.431 -10.918 24.923 676 HB3 SER 81 2HB SER 81 15.838 -9.227 25.213 677 HG SER 81 HG SER 81 13.422 -10.348 24.951 Start of MODEL 17 1 H1 MET 1 H MET 1 1.647 -0.861 1.268 2 HA MET 1 HA MET 1 1.412 -1.421 -1.534 3 HB2 MET 1 1HB MET 1 1.899 1.421 -0.629 4 HB3 MET 1 2HB MET 1 2.210 0.841 -2.260 5 HG2 MET 1 1HG MET 1 -0.292 0.081 -2.133 6 HG3 MET 1 2HG MET 1 -0.378 1.310 -0.873 7 HE1 MET 1 3HE MET 1 -1.344 3.685 -1.660 8 HE2 MET 1 1HE MET 1 0.344 3.706 -1.151 9 HE3 MET 1 2HE MET 1 -0.155 4.604 -2.584 10 H ALA 2 H ALA 2 3.433 -1.609 -2.571 11 HA ALA 2 HA ALA 2 5.717 -1.653 -0.712 12 HB1 ALA 2 1HB ALA 2 5.544 -3.842 -1.337 13 HB2 ALA 2 2HB ALA 2 4.883 -3.453 -2.926 14 HB3 ALA 2 3HB ALA 2 6.607 -3.251 -2.615 15 H LEU 3 H LEU 3 7.634 -0.704 -1.277 16 HA LEU 3 HA LEU 3 7.731 0.689 -3.867 17 HB2 LEU 3 1HB LEU 3 8.884 1.866 -1.363 18 HB3 LEU 3 2HB LEU 3 8.534 2.662 -2.896 19 HG LEU 3 HG LEU 3 6.043 1.986 -2.196 20 HD11 LEU 3 1HD1 LEU 3 7.656 1.825 0.268 21 HD12 LEU 3 2HD1 LEU 3 6.123 1.056 -0.142 22 HD13 LEU 3 3HD1 LEU 3 6.153 2.742 0.376 23 HD21 LEU 3 3HD2 LEU 3 7.716 4.342 -1.981 24 HD22 LEU 3 1HD2 LEU 3 6.415 4.343 -0.790 25 HD23 LEU 3 2HD2 LEU 3 6.039 4.191 -2.507 26 HA PRO 4 HA PRO 4 11.691 -1.166 -4.342 27 HB2 PRO 4 1HB PRO 4 12.813 0.602 -6.070 28 HB3 PRO 4 2HB PRO 4 11.556 -0.544 -6.550 29 HG2 PRO 4 1HG PRO 4 11.309 2.357 -5.855 30 HG3 PRO 4 2HG PRO 4 10.543 1.453 -7.174 31 HD2 PRO 4 1HD PRO 4 9.238 2.073 -4.884 32 HD3 PRO 4 2HD PRO 4 8.905 0.590 -5.802 33 H MET 5 H MET 5 12.504 -0.871 -2.216 34 HA MET 5 HA MET 5 14.544 1.216 -2.054 35 HB2 MET 5 1HB MET 5 13.056 0.695 0.458 36 HB3 MET 5 2HB MET 5 13.806 2.177 -0.120 37 HG2 MET 5 1HG MET 5 11.954 2.519 -1.667 38 HG3 MET 5 2HG MET 5 11.205 1.027 -1.102 39 HE1 MET 5 3HE MET 5 10.296 3.858 -1.501 40 HE2 MET 5 1HE MET 5 8.996 3.766 -0.314 41 HE3 MET 5 2HE MET 5 10.281 4.959 -0.123 42 H ILE 6 H ILE 6 16.004 0.809 -0.108 43 HA ILE 6 HA ILE 6 16.400 -2.097 0.183 44 HB ILE 6 HB ILE 6 18.468 0.104 0.202 45 HG12 ILE 6 1HG1 ILE 6 18.280 -2.212 -1.713 46 HG13 ILE 6 2HG1 ILE 6 17.424 -0.703 -2.012 47 HG21 ILE 6 1HG2 ILE 6 18.636 -2.817 0.837 48 HG22 ILE 6 2HG2 ILE 6 20.031 -1.947 0.200 49 HG23 ILE 6 3HG2 ILE 6 19.298 -1.444 1.724 50 HD11 ILE 6 3HD1 ILE 6 19.762 -1.099 -3.052 51 HD12 ILE 6 1HD1 ILE 6 19.364 0.477 -2.369 52 HD13 ILE 6 2HD1 ILE 6 20.351 -0.659 -1.449 53 H VAL 7 H VAL 7 16.405 -2.938 2.171 54 HA VAL 7 HA VAL 7 16.254 -1.088 4.447 55 HB VAL 7 HB VAL 7 14.395 -2.768 4.023 56 HG11 VAL 7 1HG1 VAL 7 16.025 -4.832 5.381 57 HG12 VAL 7 2HG1 VAL 7 14.713 -5.006 4.213 58 HG13 VAL 7 3HG1 VAL 7 16.332 -4.572 3.664 59 HG21 VAL 7 3HG2 VAL 7 13.880 -2.696 6.221 60 HG22 VAL 7 1HG2 VAL 7 15.430 -3.375 6.716 61 HG23 VAL 7 2HG2 VAL 7 15.307 -1.664 6.306 62 H LYS 8 H LYS 8 17.722 -1.112 6.052 63 HA LYS 8 HA LYS 8 19.618 -3.328 6.243 64 HB2 LYS 8 1HB LYS 8 21.441 -1.491 6.539 65 HB3 LYS 8 2HB LYS 8 20.961 -1.980 4.919 66 HG2 LYS 8 1HG LYS 8 19.654 -0.030 4.619 67 HG3 LYS 8 2HG LYS 8 19.776 0.396 6.328 68 HD2 LYS 8 1HD LYS 8 22.030 1.012 6.128 69 HD3 LYS 8 2HD LYS 8 22.212 0.173 4.585 70 HE2 LYS 8 1HE LYS 8 20.342 1.886 3.842 71 HE3 LYS 8 2HE LYS 8 20.996 2.822 5.185 72 HZ1 LYS 8 3HZ LYS 8 23.116 2.866 4.183 73 HZ2 LYS 8 1HZ LYS 8 22.018 3.261 2.958 74 HZ3 LYS 8 2HZ LYS 8 22.690 1.711 3.023 75 H TRP 9 H TRP 9 18.050 -3.520 8.110 76 HA TRP 9 HA TRP 9 18.604 -1.668 10.299 77 HB2 TRP 9 1HB TRP 9 16.270 -2.250 9.935 78 HB3 TRP 9 2HB TRP 9 16.648 -3.965 10.074 79 HD1 TRP 9 HD1 TRP 9 15.759 -4.832 12.302 80 HE1 TRP 9 HE1 TRP 9 15.675 -3.969 14.725 81 HE3 TRP 9 HE3 TRP 9 17.868 -0.229 11.598 82 HZ2 TRP 9 HZ2 TRP 9 16.405 -1.644 16.150 83 HZ3 TRP 9 HZ3 TRP 9 18.139 1.254 13.543 84 HH2 TRP 9 HH2 TRP 9 17.421 0.559 15.771 85 H GLY 10 H GLY 10 20.532 -2.110 11.218 86 HA2 GLY 10 1HA GLY 10 22.115 -3.232 12.443 87 HA3 GLY 10 2HA GLY 10 20.828 -4.340 12.898 88 H GLY 11 H GLY 11 21.153 -6.388 12.358 89 HA2 GLY 11 1HA GLY 11 23.203 -7.013 10.373 90 HA3 GLY 11 2HA GLY 11 22.477 -8.140 11.509 91 H GLN 12 H GLN 12 20.073 -6.317 10.096 92 HA GLN 12 HA GLN 12 19.509 -8.472 8.176 93 HB2 GLN 12 1HB GLN 12 17.514 -6.509 9.297 94 HB3 GLN 12 2HB GLN 12 17.184 -8.011 8.444 95 HG2 GLN 12 1HG GLN 12 17.975 -9.308 10.291 96 HG3 GLN 12 2HG GLN 12 18.536 -7.861 11.126 97 HE21 GLN 12 2HE2 GLN 12 17.236 -7.058 12.607 98 HE22 GLN 12 1HE2 GLN 12 15.535 -7.333 12.727 99 H GLU 13 H GLU 13 20.627 -7.660 6.410 100 HA GLU 13 HA GLU 13 19.611 -5.115 5.325 101 HB2 GLU 13 1HB GLU 13 22.049 -5.161 5.919 102 HB3 GLU 13 2HB GLU 13 22.268 -6.413 4.705 103 HG2 GLU 13 1HG GLU 13 22.140 -4.966 2.990 104 HG3 GLU 13 2HG GLU 13 20.920 -3.969 3.779 105 H TYR 14 H TYR 14 18.195 -5.460 3.754 106 HA TYR 14 HA TYR 14 18.837 -7.428 1.682 107 HB2 TYR 14 1HB TYR 14 17.318 -8.725 2.887 108 HB3 TYR 14 2HB TYR 14 16.339 -7.335 3.342 109 HD1 TYR 14 HD1 TYR 14 17.206 -9.586 0.535 110 HD2 TYR 14 HD2 TYR 14 14.512 -6.639 2.005 111 HE1 TYR 14 HE1 TYR 14 15.672 -10.067 -1.327 112 HE2 TYR 14 HE2 TYR 14 12.970 -7.113 0.148 113 HH TYR 14 HH TYR 14 13.374 -8.149 -2.359 114 H SER 15 H SER 15 17.927 -6.990 -0.359 115 HA SER 15 HA SER 15 17.333 -4.173 -0.769 116 HB2 SER 15 1HB SER 15 17.659 -4.649 -3.142 117 HB3 SER 15 2HB SER 15 19.000 -5.308 -2.206 118 HG SER 15 HG SER 15 18.284 -6.839 -3.696 119 H VAL 16 H VAL 16 15.258 -3.692 -0.337 120 HA VAL 16 HA VAL 16 13.120 -5.489 -1.140 121 HB VAL 16 HB VAL 16 12.845 -2.772 0.143 122 HG11 VAL 16 1HG1 VAL 16 10.821 -4.497 0.980 123 HG12 VAL 16 2HG1 VAL 16 10.676 -3.160 -0.164 124 HG13 VAL 16 3HG1 VAL 16 10.992 -4.794 -0.750 125 HG21 VAL 16 3HG2 VAL 16 13.020 -5.454 1.514 126 HG22 VAL 16 1HG2 VAL 16 14.300 -4.241 1.489 127 HG23 VAL 16 2HG2 VAL 16 12.768 -3.891 2.289 128 H THR 17 H THR 17 14.364 -4.721 -3.385 129 HA THR 17 HA THR 17 13.223 -2.346 -4.527 130 HB THR 17 HB THR 17 15.417 -3.123 -5.273 131 HG1 THR 17 HG1 THR 17 14.907 -2.265 -7.131 132 HG21 THR 17 3HG2 THR 17 14.195 -5.381 -6.786 133 HG22 THR 17 1HG2 THR 17 14.575 -5.617 -5.081 134 HG23 THR 17 2HG2 THR 17 15.850 -5.172 -6.215 135 H THR 18 H THR 18 12.007 -2.458 -6.622 136 HA THR 18 HA THR 18 9.677 -4.107 -6.259 137 HB THR 18 HB THR 18 9.463 -1.776 -7.024 138 HG1 THR 18 HG1 THR 18 8.107 -3.766 -7.822 139 HG21 THR 18 3HG2 THR 18 11.411 -1.505 -8.384 140 HG22 THR 18 1HG2 THR 18 10.006 -1.291 -9.428 141 HG23 THR 18 2HG2 THR 18 10.908 -2.807 -9.463 142 H LEU 19 H LEU 19 12.623 -4.604 -7.720 143 HA LEU 19 HA LEU 19 13.436 -6.257 -9.055 144 HB2 LEU 19 1HB LEU 19 10.709 -7.476 -9.231 145 HB3 LEU 19 2HB LEU 19 12.283 -8.269 -9.241 146 HG LEU 19 HG LEU 19 10.966 -7.004 -6.838 147 HD11 LEU 19 1HD1 LEU 19 9.966 -8.946 -6.459 148 HD12 LEU 19 2HD1 LEU 19 11.488 -9.817 -6.640 149 HD13 LEU 19 3HD1 LEU 19 10.490 -9.483 -8.055 150 HD21 LEU 19 3HD2 LEU 19 13.686 -7.881 -7.383 151 HD22 LEU 19 1HD2 LEU 19 12.974 -8.680 -5.981 152 HD23 LEU 19 2HD2 LEU 19 13.051 -6.919 -6.048 153 H SER 20 H SER 20 12.647 -7.541 -11.240 154 HA SER 20 HA SER 20 12.182 -5.383 -13.115 155 HB2 SER 20 1HB SER 20 12.547 -7.282 -14.809 156 HB3 SER 20 2HB SER 20 13.915 -6.838 -13.789 157 HG SER 20 HG SER 20 13.734 -8.681 -12.706 158 H GLU 21 H GLU 21 10.744 -5.904 -15.057 159 HA GLU 21 HA GLU 21 8.087 -6.125 -14.185 160 HB2 GLU 21 1HB GLU 21 7.505 -6.187 -16.584 161 HB3 GLU 21 2HB GLU 21 8.657 -4.913 -16.207 162 HG2 GLU 21 1HG GLU 21 10.433 -6.674 -16.902 163 HG3 GLU 21 2HG GLU 21 9.075 -7.456 -17.708 164 H ASP 22 H ASP 22 10.265 -8.474 -15.663 165 HA ASP 22 HA ASP 22 8.478 -10.526 -16.195 166 HB2 ASP 22 1HB ASP 22 11.373 -10.597 -15.347 167 HB3 ASP 22 2HB ASP 22 10.480 -12.047 -15.800 168 H ASP 23 H ASP 23 9.735 -9.406 -13.161 169 HA ASP 23 HA ASP 23 8.549 -11.705 -11.768 170 HB2 ASP 23 1HB ASP 23 10.408 -9.571 -10.695 171 HB3 ASP 23 2HB ASP 23 9.845 -10.992 -9.819 172 H THR 24 H THR 24 8.033 -10.649 -9.315 173 HA THR 24 HA THR 24 6.357 -8.299 -9.609 174 HB THR 24 HB THR 24 4.532 -9.871 -8.356 175 HG1 THR 24 HG1 THR 24 6.121 -11.504 -9.979 176 HG21 THR 24 3HG2 THR 24 3.790 -10.155 -10.983 177 HG22 THR 24 1HG2 THR 24 4.900 -8.786 -11.046 178 HG23 THR 24 2HG2 THR 24 3.491 -8.731 -9.986 179 H VAL 25 H VAL 25 5.365 -7.661 -7.510 180 HA VAL 25 HA VAL 25 7.264 -7.551 -5.473 181 HB VAL 25 HB VAL 25 4.291 -7.056 -5.414 182 HG11 VAL 25 1HG1 VAL 25 4.600 -7.467 -3.181 183 HG12 VAL 25 2HG1 VAL 25 6.297 -6.983 -3.214 184 HG13 VAL 25 3HG1 VAL 25 5.028 -5.758 -3.249 185 HG21 VAL 25 3HG2 VAL 25 5.528 -5.487 -6.761 186 HG22 VAL 25 1HG2 VAL 25 5.025 -4.693 -5.269 187 HG23 VAL 25 2HG2 VAL 25 6.693 -5.232 -5.462 188 H LEU 26 H LEU 26 4.772 -9.890 -6.121 189 HA LEU 26 HA LEU 26 4.415 -11.077 -3.653 190 HB2 LEU 26 1HB LEU 26 3.610 -12.961 -4.781 191 HB3 LEU 26 2HB LEU 26 3.274 -11.606 -5.856 192 HG LEU 26 HG LEU 26 5.603 -12.371 -6.898 193 HD11 LEU 26 1HD1 LEU 26 4.740 -15.092 -6.618 194 HD12 LEU 26 2HD1 LEU 26 5.106 -14.403 -5.037 195 HD13 LEU 26 3HD1 LEU 26 6.325 -14.382 -6.311 196 HD21 LEU 26 3HD2 LEU 26 3.232 -12.221 -7.882 197 HD22 LEU 26 1HD2 LEU 26 3.149 -13.955 -7.570 198 HD23 LEU 26 2HD2 LEU 26 4.388 -13.312 -8.648 199 H ASP 27 H ASP 27 7.088 -11.396 -5.902 200 HA ASP 27 HA ASP 27 8.339 -13.616 -4.679 201 HB2 ASP 27 1HB ASP 27 8.765 -12.339 -6.985 202 HB3 ASP 27 2HB ASP 27 10.008 -11.546 -6.020 203 H LEU 28 H LEU 28 9.376 -10.201 -4.594 204 HA LEU 28 HA LEU 28 11.242 -10.436 -2.570 205 HB2 LEU 28 1HB LEU 28 11.301 -8.143 -2.505 206 HB3 LEU 28 2HB LEU 28 10.597 -8.435 -4.095 207 HG LEU 28 HG LEU 28 8.340 -8.179 -2.705 208 HD11 LEU 28 1HD1 LEU 28 10.441 -7.144 -0.954 209 HD12 LEU 28 2HD1 LEU 28 8.780 -7.608 -0.587 210 HD13 LEU 28 3HD1 LEU 28 9.122 -6.010 -1.250 211 HD21 LEU 28 3HD2 LEU 28 8.104 -6.382 -4.003 212 HD22 LEU 28 1HD2 LEU 28 9.761 -6.673 -4.532 213 HD23 LEU 28 2HD2 LEU 28 9.442 -5.541 -3.219 214 H LYS 29 H LYS 29 7.767 -10.250 -2.363 215 HA LYS 29 HA LYS 29 7.472 -9.540 0.325 216 HB2 LYS 29 1HB LYS 29 5.645 -9.695 -1.398 217 HB3 LYS 29 2HB LYS 29 5.699 -11.443 -1.211 218 HG2 LYS 29 1HG LYS 29 4.908 -11.338 0.999 219 HG3 LYS 29 2HG LYS 29 5.213 -9.603 1.110 220 HD2 LYS 29 1HD LYS 29 2.958 -9.568 0.750 221 HD3 LYS 29 2HD LYS 29 3.519 -9.545 -0.924 222 HE2 LYS 29 1HE LYS 29 2.935 -11.742 -1.289 223 HE3 LYS 29 2HE LYS 29 3.050 -12.167 0.418 224 HZ1 LYS 29 3HZ LYS 29 0.893 -11.798 0.658 225 HZ2 LYS 29 1HZ LYS 29 0.763 -11.536 -1.008 226 HZ3 LYS 29 2HZ LYS 29 1.027 -10.231 0.035 227 H GLN 30 H GLN 30 7.417 -12.813 -1.099 228 HA GLN 30 HA GLN 30 7.351 -14.220 1.308 229 HB2 GLN 30 1HB GLN 30 8.581 -15.055 -1.325 230 HB3 GLN 30 2HB GLN 30 8.191 -16.140 0.003 231 HG2 GLN 30 1HG GLN 30 5.793 -15.211 -0.259 232 HG3 GLN 30 2HG GLN 30 6.354 -14.682 -1.845 233 HE21 GLN 30 2HE2 GLN 30 6.687 -16.166 -3.438 234 HE22 GLN 30 1HE2 GLN 30 6.271 -17.837 -3.289 235 H PHE 31 H PHE 31 10.016 -12.763 -0.410 236 HA PHE 31 HA PHE 31 12.127 -14.103 0.894 237 HB2 PHE 31 1HB PHE 31 11.837 -11.660 -0.754 238 HB3 PHE 31 2HB PHE 31 13.250 -11.721 0.293 239 HD1 PHE 31 HD2 PHE 31 11.471 -14.297 -1.738 240 HD2 PHE 31 HD1 PHE 31 15.113 -12.244 -0.936 241 HE1 PHE 31 HE2 PHE 31 12.626 -15.709 -3.388 242 HE2 PHE 31 HE1 PHE 31 16.274 -13.653 -2.586 243 HZ PHE 31 HZ PHE 31 15.031 -15.389 -3.813 244 H LEU 32 H LEU 32 10.328 -11.169 1.670 245 HA LEU 32 HA LEU 32 11.936 -10.361 3.851 246 HB2 LEU 32 1HB LEU 32 9.043 -9.805 3.221 247 HB3 LEU 32 2HB LEU 32 9.954 -9.008 4.502 248 HG LEU 32 HG LEU 32 10.394 -8.780 1.528 249 HD11 LEU 32 1HD1 LEU 32 9.975 -6.372 2.023 250 HD12 LEU 32 2HD1 LEU 32 9.508 -6.843 3.657 251 HD13 LEU 32 3HD1 LEU 32 8.579 -7.421 2.273 252 HD21 LEU 32 3HD2 LEU 32 12.569 -8.759 2.366 253 HD22 LEU 32 1HD2 LEU 32 12.093 -7.928 3.847 254 HD23 LEU 32 2HD2 LEU 32 12.125 -7.052 2.317 255 H LYS 33 H LYS 33 9.188 -12.526 3.560 256 HA LYS 33 HA LYS 33 8.708 -12.812 6.347 257 HB2 LYS 33 1HB LYS 33 6.878 -13.489 5.134 258 HB3 LYS 33 2HB LYS 33 7.854 -14.227 3.870 259 HG2 LYS 33 1HG LYS 33 7.902 -15.476 6.560 260 HG3 LYS 33 2HG LYS 33 6.446 -15.666 5.580 261 HD2 LYS 33 1HD LYS 33 7.470 -17.020 4.090 262 HD3 LYS 33 2HD LYS 33 8.994 -16.134 4.176 263 HE2 LYS 33 1HE LYS 33 9.157 -18.443 5.050 264 HE3 LYS 33 2HE LYS 33 9.562 -17.216 6.250 265 HZ1 LYS 33 3HZ LYS 33 7.589 -17.564 7.387 266 HZ2 LYS 33 1HZ LYS 33 8.037 -19.132 6.938 267 HZ3 LYS 33 2HZ LYS 33 6.830 -18.318 6.077 268 H THR 34 H THR 34 10.872 -14.341 4.082 269 HA THR 34 HA THR 34 11.608 -16.427 5.972 270 HB THR 34 HB THR 34 13.320 -16.975 4.120 271 HG1 THR 34 HG1 THR 34 12.454 -16.140 2.034 272 HG21 THR 34 3HG2 THR 34 11.747 -18.313 2.981 273 HG22 THR 34 1HG2 THR 34 10.439 -17.167 3.271 274 HG23 THR 34 2HG2 THR 34 11.091 -18.118 4.606 275 H LEU 35 H LEU 35 12.753 -13.348 4.846 276 HA LEU 35 HA LEU 35 15.407 -13.688 5.943 277 HB2 LEU 35 1HB LEU 35 13.971 -11.642 4.381 278 HB3 LEU 35 2HB LEU 35 15.218 -11.037 5.470 279 HG LEU 35 HG LEU 35 16.313 -13.214 4.006 280 HD11 LEU 35 1HD1 LEU 35 14.577 -11.388 2.431 281 HD12 LEU 35 2HD1 LEU 35 14.953 -13.092 2.180 282 HD13 LEU 35 3HD1 LEU 35 16.135 -11.856 1.750 283 HD21 LEU 35 3HD2 LEU 35 16.766 -10.241 4.070 284 HD22 LEU 35 1HD2 LEU 35 17.764 -11.341 3.120 285 HD23 LEU 35 2HD2 LEU 35 17.694 -11.507 4.875 286 H THR 36 H THR 36 12.518 -11.765 6.703 287 HA THR 36 HA THR 36 13.692 -11.068 9.298 288 HB THR 36 HB THR 36 12.260 -9.256 9.427 289 HG1 THR 36 HG1 THR 36 10.557 -10.473 7.491 290 HG21 THR 36 3HG2 THR 36 12.546 -9.672 6.449 291 HG22 THR 36 1HG2 THR 36 13.776 -8.986 7.510 292 HG23 THR 36 2HG2 THR 36 12.252 -8.134 7.261 293 H GLY 37 H GLY 37 10.819 -12.561 7.859 294 HA2 GLY 37 1HA GLY 37 9.150 -13.849 8.781 295 HA3 GLY 37 2HA GLY 37 10.452 -14.521 9.751 296 H VAL 38 H VAL 38 9.590 -11.155 9.980 297 HA VAL 38 HA VAL 38 8.199 -11.679 12.520 298 HB VAL 38 HB VAL 38 10.610 -10.960 12.847 299 HG11 VAL 38 1HG1 VAL 38 10.165 -9.161 10.922 300 HG12 VAL 38 2HG1 VAL 38 9.805 -8.160 12.331 301 HG13 VAL 38 3HG1 VAL 38 11.382 -8.936 12.179 302 HG21 VAL 38 3HG2 VAL 38 9.758 -10.482 14.844 303 HG22 VAL 38 1HG2 VAL 38 9.460 -8.839 14.275 304 HG23 VAL 38 2HG2 VAL 38 8.201 -10.065 14.130 305 H LEU 39 H LEU 39 7.892 -10.483 9.534 306 HA LEU 39 HA LEU 39 6.774 -7.922 9.889 307 HB2 LEU 39 1HB LEU 39 6.304 -9.997 7.756 308 HB3 LEU 39 2HB LEU 39 5.707 -8.340 7.677 309 HG LEU 39 HG LEU 39 8.547 -9.310 7.515 310 HD11 LEU 39 1HD1 LEU 39 7.941 -9.231 5.357 311 HD12 LEU 39 2HD1 LEU 39 8.155 -7.491 5.545 312 HD13 LEU 39 3HD1 LEU 39 6.546 -8.201 5.678 313 HD21 LEU 39 3HD2 LEU 39 9.032 -6.789 7.341 314 HD22 LEU 39 1HD2 LEU 39 8.810 -7.490 8.944 315 HD23 LEU 39 2HD2 LEU 39 7.499 -6.583 8.189 316 HA PRO 40 HA PRO 40 2.524 -10.261 9.988 317 HB2 PRO 40 1HB PRO 40 2.625 -12.907 10.591 318 HB3 PRO 40 2HB PRO 40 2.686 -12.296 8.933 319 HG2 PRO 40 1HG PRO 40 4.927 -13.185 10.708 320 HG3 PRO 40 2HG PRO 40 4.662 -13.521 8.987 321 HD2 PRO 40 1HD PRO 40 6.388 -11.622 9.851 322 HD3 PRO 40 2HD PRO 40 5.484 -11.470 8.331 323 H GLU 41 H GLU 41 5.128 -10.512 12.140 324 HA GLU 41 HA GLU 41 3.344 -10.981 14.430 325 HB2 GLU 41 1HB GLU 41 6.342 -11.223 14.164 326 HB3 GLU 41 2HB GLU 41 5.492 -11.337 15.698 327 HG2 GLU 41 1HG GLU 41 4.674 -13.107 13.447 328 HG3 GLU 41 2HG GLU 41 6.132 -13.484 14.364 329 H ARG 42 H ARG 42 6.427 -9.242 14.158 330 HA ARG 42 HA ARG 42 5.089 -6.780 15.018 331 HB2 ARG 42 1HB ARG 42 7.560 -7.933 16.325 332 HB3 ARG 42 2HB ARG 42 6.860 -6.360 16.679 333 HG2 ARG 42 1HG ARG 42 5.134 -8.763 16.952 334 HG3 ARG 42 2HG ARG 42 6.364 -8.460 18.181 335 HD2 ARG 42 1HD ARG 42 5.339 -6.021 18.078 336 HD3 ARG 42 2HD ARG 42 3.926 -6.902 17.496 337 HE ARG 42 HE ARG 42 4.721 -8.244 19.747 338 HH11 ARG 42 1HH1 ARG 42 3.794 -4.974 18.996 339 HH12 ARG 42 2HH1 ARG 42 3.142 -4.658 20.569 340 HH21 ARG 42 1HH2 ARG 42 3.865 -7.841 21.823 341 HH22 ARG 42 2HH2 ARG 42 3.183 -6.290 22.177 342 H GLN 43 H GLN 43 5.702 -5.089 13.841 343 HA GLN 43 HA GLN 43 8.405 -4.780 12.905 344 HB2 GLN 43 1HB GLN 43 7.520 -4.480 10.483 345 HB3 GLN 43 2HB GLN 43 7.850 -6.101 11.077 346 HG2 GLN 43 1HG GLN 43 5.765 -6.029 9.842 347 HG3 GLN 43 2HG GLN 43 5.483 -6.429 11.536 348 HE21 GLN 43 2HE2 GLN 43 5.494 -3.724 9.262 349 HE22 GLN 43 1HE2 GLN 43 4.220 -2.844 10.028 350 H LYS 44 H LYS 44 8.823 -2.688 12.041 351 HA LYS 44 HA LYS 44 6.672 -0.746 11.994 352 HB2 LYS 44 1HB LYS 44 7.956 -1.125 14.391 353 HB3 LYS 44 2HB LYS 44 8.886 0.188 13.680 354 HG2 LYS 44 1HG LYS 44 5.894 0.284 13.818 355 HG3 LYS 44 2HG LYS 44 6.906 0.792 15.172 356 HD2 LYS 44 1HD LYS 44 7.523 1.882 12.475 357 HD3 LYS 44 2HD LYS 44 6.097 2.498 13.312 358 HE2 LYS 44 1HE LYS 44 8.866 2.407 14.502 359 HE3 LYS 44 2HE LYS 44 8.169 3.822 13.714 360 HZ1 LYS 44 3HZ LYS 44 7.465 4.323 15.760 361 HZ2 LYS 44 1HZ LYS 44 7.669 2.748 16.343 362 HZ3 LYS 44 2HZ LYS 44 6.265 3.161 15.496 363 H LEU 45 H LEU 45 7.319 -0.622 9.790 364 HA LEU 45 HA LEU 45 9.995 0.312 9.179 365 HB2 LEU 45 1HB LEU 45 7.657 0.024 7.306 366 HB3 LEU 45 2HB LEU 45 9.364 0.133 6.881 367 HG LEU 45 HG LEU 45 9.463 -2.092 8.341 368 HD11 LEU 45 1HD1 LEU 45 7.390 -2.671 8.977 369 HD12 LEU 45 2HD1 LEU 45 7.247 -3.273 7.326 370 HD13 LEU 45 3HD1 LEU 45 6.619 -1.678 7.740 371 HD21 LEU 45 3HD2 LEU 45 8.710 -1.747 5.453 372 HD22 LEU 45 1HD2 LEU 45 9.052 -3.329 6.153 373 HD23 LEU 45 2HD2 LEU 45 10.298 -2.080 6.146 374 H LEU 46 H LEU 46 10.151 2.196 7.583 375 HA LEU 46 HA LEU 46 9.010 4.502 8.851 376 HB2 LEU 46 1HB LEU 46 10.607 5.682 7.787 377 HB3 LEU 46 2HB LEU 46 11.326 4.086 7.584 378 HG LEU 46 HG LEU 46 9.682 5.543 5.514 379 HD11 LEU 46 1HD1 LEU 46 11.934 5.546 4.324 380 HD12 LEU 46 2HD1 LEU 46 12.639 5.204 5.903 381 HD13 LEU 46 3HD1 LEU 46 11.721 6.688 5.650 382 HD21 LEU 46 3HD2 LEU 46 11.137 3.539 4.295 383 HD22 LEU 46 1HD2 LEU 46 9.410 3.506 4.652 384 HD23 LEU 46 2HD2 LEU 46 10.557 2.786 5.781 385 H GLY 47 H GLY 47 8.019 2.439 6.360 386 HA2 GLY 47 1HA GLY 47 5.599 3.765 5.910 387 HA3 GLY 47 2HA GLY 47 6.705 4.238 4.629 388 H LEU 48 H LEU 48 8.095 1.727 4.486 389 HA LEU 48 HA LEU 48 6.434 0.385 2.641 390 HB2 LEU 48 1HB LEU 48 8.809 0.300 2.386 391 HB3 LEU 48 2HB LEU 48 9.007 -0.418 3.984 392 HG LEU 48 HG LEU 48 7.834 -2.453 3.133 393 HD11 LEU 48 1HD1 LEU 48 6.918 -0.954 1.137 394 HD12 LEU 48 2HD1 LEU 48 7.140 -2.697 0.988 395 HD13 LEU 48 3HD1 LEU 48 8.359 -1.596 0.348 396 HD21 LEU 48 3HD2 LEU 48 10.207 -1.909 1.398 397 HD22 LEU 48 1HD2 LEU 48 9.768 -3.378 2.269 398 HD23 LEU 48 2HD2 LEU 48 10.387 -1.982 3.151 399 H LYS 49 H LYS 49 5.524 -1.708 2.739 400 HA LYS 49 HA LYS 49 4.196 -3.298 3.684 401 HB2 LYS 49 1HB LYS 49 6.659 -3.258 5.349 402 HB3 LYS 49 2HB LYS 49 5.284 -4.159 5.974 403 HG2 LYS 49 1HG LYS 49 6.135 -4.621 3.161 404 HG3 LYS 49 2HG LYS 49 7.094 -5.313 4.471 405 HD2 LYS 49 1HD LYS 49 5.278 -6.590 5.262 406 HD3 LYS 49 2HD LYS 49 4.113 -5.672 4.305 407 HE2 LYS 49 1HE LYS 49 5.269 -6.556 2.253 408 HE3 LYS 49 2HE LYS 49 6.182 -7.625 3.316 409 HZ1 LYS 49 3HZ LYS 49 4.462 -8.989 2.831 410 HZ2 LYS 49 1HZ LYS 49 3.372 -7.728 2.545 411 HZ3 LYS 49 2HZ LYS 49 3.742 -8.182 4.132 412 H VAL 50 H VAL 50 2.659 -1.472 4.036 413 HA VAL 50 HA VAL 50 2.384 -0.511 6.754 414 HB VAL 50 HB VAL 50 0.345 0.633 5.884 415 HG11 VAL 50 1HG1 VAL 50 2.814 1.465 5.747 416 HG12 VAL 50 2HG1 VAL 50 2.585 1.258 4.010 417 HG13 VAL 50 3HG1 VAL 50 1.537 2.351 4.914 418 HG21 VAL 50 3HG2 VAL 50 1.131 -0.020 3.099 419 HG22 VAL 50 1HG2 VAL 50 0.226 -1.238 3.998 420 HG23 VAL 50 2HG2 VAL 50 -0.453 0.373 3.767 421 H LYS 51 H LYS 51 0.698 -0.980 8.158 422 HA LYS 51 HA LYS 51 -0.430 -3.623 7.865 423 HB2 LYS 51 1HB LYS 51 0.498 -2.463 10.019 424 HB3 LYS 51 2HB LYS 51 -1.112 -1.760 10.112 425 HG2 LYS 51 1HG LYS 51 -1.137 -3.689 11.467 426 HG3 LYS 51 2HG LYS 51 -2.023 -4.101 9.997 427 HD2 LYS 51 1HD LYS 51 0.317 -4.948 9.185 428 HD3 LYS 51 2HD LYS 51 0.671 -5.010 10.913 429 HE2 LYS 51 1HE LYS 51 -1.395 -6.388 11.201 430 HE3 LYS 51 2HE LYS 51 -1.541 -6.439 9.445 431 HZ1 LYS 51 3HZ LYS 51 0.346 -7.733 9.243 432 HZ2 LYS 51 1HZ LYS 51 -0.361 -8.358 10.646 433 HZ3 LYS 51 2HZ LYS 51 0.952 -7.299 10.761 434 H GLY 52 H GLY 52 -2.643 -4.139 7.878 435 HA2 GLY 52 1HA GLY 52 -4.921 -3.770 7.615 436 HA3 GLY 52 2HA GLY 52 -4.624 -2.042 7.733 437 H LYS 53 H LYS 53 -2.497 -3.231 5.511 438 HA LYS 53 HA LYS 53 -4.036 -3.661 3.217 439 HB2 LYS 53 1HB LYS 53 -3.548 -1.387 2.121 440 HB3 LYS 53 2HB LYS 53 -4.886 -1.478 3.260 441 HG2 LYS 53 1HG LYS 53 -3.706 -0.338 4.920 442 HG3 LYS 53 2HG LYS 53 -2.151 -0.616 4.132 443 HD2 LYS 53 1HD LYS 53 -2.677 1.650 3.730 444 HD3 LYS 53 2HD LYS 53 -3.028 0.804 2.221 445 HE2 LYS 53 1HE LYS 53 -4.812 2.350 2.699 446 HE3 LYS 53 2HE LYS 53 -5.409 0.702 2.880 447 HZ1 LYS 53 3HZ LYS 53 -5.948 1.114 4.975 448 HZ2 LYS 53 1HZ LYS 53 -5.543 2.740 4.737 449 HZ3 LYS 53 2HZ LYS 53 -4.389 1.661 5.341 450 HA PRO 54 HA PRO 54 0.579 -4.297 3.015 451 HB2 PRO 54 1HB PRO 54 0.437 -6.945 2.431 452 HB3 PRO 54 2HB PRO 54 0.453 -6.325 4.086 453 HG2 PRO 54 1HG PRO 54 -1.869 -7.211 2.417 454 HG3 PRO 54 2HG PRO 54 -1.530 -7.540 4.126 455 HD2 PRO 54 1HD PRO 54 -3.282 -5.636 3.328 456 HD3 PRO 54 2HD PRO 54 -2.312 -5.482 4.807 457 H ALA 55 H ALA 55 1.823 -4.611 1.150 458 HA ALA 55 HA ALA 55 0.782 -3.804 -1.270 459 HB1 ALA 55 1HB ALA 55 3.244 -4.066 -0.455 460 HB2 ALA 55 2HB ALA 55 3.134 -5.643 -1.239 461 HB3 ALA 55 3HB ALA 55 2.869 -4.173 -2.175 462 H GLU 56 H GLU 56 0.203 -4.845 -3.188 463 HA GLU 56 HA GLU 56 -0.798 -7.574 -2.806 464 HB2 GLU 56 1HB GLU 56 -2.294 -5.625 -3.561 465 HB3 GLU 56 2HB GLU 56 -1.473 -5.758 -5.110 466 HG2 GLU 56 1HG GLU 56 -2.424 -7.783 -5.601 467 HG3 GLU 56 2HG GLU 56 -2.678 -8.198 -3.907 468 H ASN 57 H ASN 57 -0.604 -9.116 -4.558 469 HA ASN 57 HA ASN 57 2.044 -9.270 -5.561 470 HB2 ASN 57 1HB ASN 57 1.118 -11.275 -6.828 471 HB3 ASN 57 2HB ASN 57 0.963 -11.327 -5.074 472 HD21 ASN 57 2HD2 ASN 57 -0.737 -10.779 -8.081 473 HD22 ASN 57 1HD2 ASN 57 -2.322 -11.079 -7.462 474 H ASP 58 H ASP 58 -0.970 -8.132 -6.880 475 HA ASP 58 HA ASP 58 -0.501 -8.239 -9.600 476 HB2 ASP 58 1HB ASP 58 -1.827 -5.947 -8.139 477 HB3 ASP 58 2HB ASP 58 -2.070 -6.403 -9.822 478 H VAL 59 H VAL 59 0.862 -6.098 -7.204 479 HA VAL 59 HA VAL 59 1.837 -4.059 -8.835 480 HB VAL 59 HB VAL 59 3.202 -5.173 -6.382 481 HG11 VAL 59 1HG1 VAL 59 3.965 -2.793 -6.153 482 HG12 VAL 59 2HG1 VAL 59 4.654 -3.669 -7.522 483 HG13 VAL 59 3HG1 VAL 59 3.349 -2.510 -7.781 484 HG21 VAL 59 3HG2 VAL 59 0.901 -4.704 -5.845 485 HG22 VAL 59 1HG2 VAL 59 1.919 -3.439 -5.157 486 HG23 VAL 59 2HG2 VAL 59 0.999 -3.128 -6.629 487 H LYS 60 H LYS 60 3.874 -3.687 -9.777 488 HA LYS 60 HA LYS 60 5.858 -5.751 -9.916 489 HB2 LYS 60 1HB LYS 60 5.670 -5.870 -12.477 490 HB3 LYS 60 2HB LYS 60 4.522 -6.803 -11.526 491 HG2 LYS 60 1HG LYS 60 2.825 -5.777 -12.502 492 HG3 LYS 60 2HG LYS 60 3.445 -4.202 -12.000 493 HD2 LYS 60 1HD LYS 60 3.740 -3.790 -14.177 494 HD3 LYS 60 2HD LYS 60 5.107 -4.903 -14.086 495 HE2 LYS 60 1HE LYS 60 3.728 -6.739 -14.789 496 HE3 LYS 60 2HE LYS 60 2.277 -5.740 -14.703 497 HZ1 LYS 60 3HZ LYS 60 4.333 -5.851 -16.756 498 HZ2 LYS 60 1HZ LYS 60 3.733 -4.312 -16.392 499 HZ3 LYS 60 2HZ LYS 60 2.678 -5.534 -16.896 500 H LEU 61 H LEU 61 7.410 -5.089 -11.914 501 HA LEU 61 HA LEU 61 8.610 -2.689 -11.190 502 HB2 LEU 61 1HB LEU 61 9.831 -4.408 -12.344 503 HB3 LEU 61 2HB LEU 61 8.793 -4.251 -13.760 504 HG LEU 61 HG LEU 61 9.713 -1.835 -13.876 505 HD11 LEU 61 1HD1 LEU 61 12.080 -3.021 -12.492 506 HD12 LEU 61 2HD1 LEU 61 10.818 -2.216 -11.559 507 HD13 LEU 61 3HD1 LEU 61 11.694 -1.329 -12.807 508 HD21 LEU 61 3HD2 LEU 61 10.221 -3.919 -15.329 509 HD22 LEU 61 1HD2 LEU 61 11.759 -3.936 -14.466 510 HD23 LEU 61 2HD2 LEU 61 11.298 -2.524 -15.417 511 H GLY 62 H GLY 62 6.084 -3.342 -13.509 512 HA2 GLY 62 1HA GLY 62 6.257 -0.728 -14.739 513 HA3 GLY 62 2HA GLY 62 5.042 -1.957 -15.060 514 H ALA 63 H ALA 63 5.437 -1.390 -11.756 515 HA ALA 63 HA ALA 63 3.176 0.501 -11.742 516 HB1 ALA 63 1HB ALA 63 1.932 -0.844 -10.472 517 HB2 ALA 63 2HB ALA 63 3.061 -2.125 -10.917 518 HB3 ALA 63 3HB ALA 63 3.288 -1.233 -9.412 519 H LEU 64 H LEU 64 6.125 -0.607 -10.210 520 HA LEU 64 HA LEU 64 6.101 1.795 -8.504 521 HB2 LEU 64 1HB LEU 64 7.912 -0.516 -7.987 522 HB3 LEU 64 2HB LEU 64 7.255 0.668 -6.859 523 HG LEU 64 HG LEU 64 5.621 -1.516 -8.144 524 HD11 LEU 64 1HD1 LEU 64 7.526 -1.648 -5.987 525 HD12 LEU 64 2HD1 LEU 64 6.605 -2.940 -6.755 526 HD13 LEU 64 3HD1 LEU 64 5.900 -2.029 -5.420 527 HD21 LEU 64 3HD2 LEU 64 4.023 -0.079 -7.437 528 HD22 LEU 64 1HD2 LEU 64 5.084 0.698 -6.262 529 HD23 LEU 64 2HD2 LEU 64 4.340 -0.857 -5.886 530 H LYS 65 H LYS 65 6.851 2.742 -10.657 531 HA LYS 65 HA LYS 65 9.440 2.182 -11.639 532 HB2 LYS 65 1HB LYS 65 7.880 4.764 -11.844 533 HB3 LYS 65 2HB LYS 65 9.234 4.285 -12.859 534 HG2 LYS 65 1HG LYS 65 6.831 2.530 -12.731 535 HG3 LYS 65 2HG LYS 65 6.773 4.011 -13.690 536 HD2 LYS 65 1HD LYS 65 9.119 3.035 -14.539 537 HD3 LYS 65 2HD LYS 65 8.316 1.520 -14.121 538 HE2 LYS 65 1HE LYS 65 6.363 2.309 -15.503 539 HE3 LYS 65 2HE LYS 65 7.389 3.629 -16.061 540 HZ1 LYS 65 3HZ LYS 65 7.324 1.653 -17.551 541 HZ2 LYS 65 1HZ LYS 65 8.112 0.767 -16.344 542 HZ3 LYS 65 2HZ LYS 65 8.880 2.095 -17.055 543 H LEU 66 H LEU 66 8.530 3.474 -8.730 544 HA LEU 66 HA LEU 66 10.121 5.634 -8.203 545 HB2 LEU 66 1HB LEU 66 9.030 3.412 -6.625 546 HB3 LEU 66 2HB LEU 66 10.429 4.208 -5.907 547 HG LEU 66 HG LEU 66 8.281 5.996 -6.855 548 HD11 LEU 66 1HD1 LEU 66 7.174 3.934 -5.786 549 HD12 LEU 66 2HD1 LEU 66 6.725 5.533 -5.193 550 HD13 LEU 66 3HD1 LEU 66 7.854 4.537 -4.274 551 HD21 LEU 66 3HD2 LEU 66 8.794 6.976 -4.565 552 HD22 LEU 66 1HD2 LEU 66 10.095 7.011 -5.755 553 HD23 LEU 66 2HD2 LEU 66 10.105 5.799 -4.474 554 H LYS 67 H LYS 67 12.174 5.722 -6.934 555 HA LYS 67 HA LYS 67 14.115 3.831 -8.078 556 HB2 LYS 67 1HB LYS 67 15.736 5.750 -7.317 557 HB3 LYS 67 2HB LYS 67 14.823 5.898 -8.813 558 HG2 LYS 67 1HG LYS 67 13.237 7.351 -7.791 559 HG3 LYS 67 2HG LYS 67 13.915 7.055 -6.188 560 HD2 LYS 67 1HD LYS 67 15.677 8.451 -6.527 561 HD3 LYS 67 2HD LYS 67 15.767 8.092 -8.253 562 HE2 LYS 67 1HE LYS 67 13.460 9.639 -7.137 563 HE3 LYS 67 2HE LYS 67 14.991 10.442 -7.481 564 HZ1 LYS 67 3HZ LYS 67 14.790 9.439 -9.773 565 HZ2 LYS 67 1HZ LYS 67 13.699 10.678 -9.404 566 HZ3 LYS 67 2HZ LYS 67 13.187 9.066 -9.381 567 HA PRO 68 HA PRO 68 15.302 2.282 -4.149 568 HB2 PRO 68 1HB PRO 68 18.000 2.083 -4.384 569 HB3 PRO 68 2HB PRO 68 16.880 1.009 -5.230 570 HG2 PRO 68 1HG PRO 68 18.322 3.425 -6.251 571 HG3 PRO 68 2HG PRO 68 18.073 1.856 -7.037 572 HD2 PRO 68 1HD PRO 68 16.578 4.035 -7.627 573 HD3 PRO 68 2HD PRO 68 15.927 2.384 -7.694 574 H ASN 69 H ASN 69 16.456 5.337 -5.198 575 HA ASN 69 HA ASN 69 18.118 6.130 -3.120 576 HB2 ASN 69 1HB ASN 69 17.748 7.451 -5.171 577 HB3 ASN 69 2HB ASN 69 16.119 7.834 -4.624 578 HD21 ASN 69 2HD2 ASN 69 19.526 8.151 -3.778 579 HD22 ASN 69 1HD2 ASN 69 19.357 9.634 -2.908 580 H THR 70 H THR 70 14.704 5.622 -3.152 581 HA THR 70 HA THR 70 13.760 7.236 -1.141 582 HB THR 70 HB THR 70 12.437 4.914 -0.577 583 HG1 THR 70 HG1 THR 70 12.883 4.726 -3.354 584 HG21 THR 70 3HG2 THR 70 10.767 5.687 -2.238 585 HG22 THR 70 1HG2 THR 70 11.959 6.823 -2.867 586 HG23 THR 70 2HG2 THR 70 11.369 6.990 -1.214 587 H LYS 71 H LYS 71 15.311 4.056 -0.777 588 HA LYS 71 HA LYS 71 16.379 3.077 0.976 589 HB2 LYS 71 1HB LYS 71 16.767 5.954 1.398 590 HB3 LYS 71 2HB LYS 71 16.886 5.001 2.871 591 HG2 LYS 71 1HG LYS 71 18.536 3.538 1.677 592 HG3 LYS 71 2HG LYS 71 18.521 4.716 0.364 593 HD2 LYS 71 1HD LYS 71 19.164 5.409 3.226 594 HD3 LYS 71 2HD LYS 71 20.386 4.996 2.020 595 HE2 LYS 71 1HE LYS 71 20.373 7.290 1.872 596 HE3 LYS 71 2HE LYS 71 19.208 6.863 0.620 597 HZ1 LYS 71 3HZ LYS 71 18.796 8.532 2.776 598 HZ2 LYS 71 1HZ LYS 71 17.923 7.127 3.132 599 HZ3 LYS 71 2HZ LYS 71 17.629 7.963 1.692 600 H ILE 72 H ILE 72 15.111 1.748 2.095 601 HA ILE 72 HA ILE 72 12.981 2.854 3.771 602 HB ILE 72 HB ILE 72 12.328 1.074 2.232 603 HG12 ILE 72 1HG1 ILE 72 11.559 1.307 4.791 604 HG13 ILE 72 2HG1 ILE 72 10.910 0.073 3.716 605 HG21 ILE 72 1HG2 ILE 72 13.169 -1.268 2.765 606 HG22 ILE 72 2HG2 ILE 72 14.283 -0.189 1.926 607 HG23 ILE 72 3HG2 ILE 72 14.469 -0.477 3.656 608 HD11 ILE 72 3HD1 ILE 72 13.317 -0.475 5.403 609 HD12 ILE 72 1HD1 ILE 72 11.687 -0.611 6.062 610 HD13 ILE 72 2HD1 ILE 72 12.170 -1.610 4.691 611 H MET 73 H MET 73 12.816 2.448 5.960 612 HA MET 73 HA MET 73 15.181 1.224 7.224 613 HB2 MET 73 1HB MET 73 13.554 3.507 8.351 614 HB3 MET 73 2HB MET 73 15.039 2.836 9.014 615 HG2 MET 73 1HG MET 73 16.017 3.523 6.681 616 HG3 MET 73 2HG MET 73 14.643 4.626 6.675 617 HE1 MET 73 3HE MET 73 18.318 4.645 9.349 618 HE2 MET 73 1HE MET 73 17.695 3.328 8.355 619 HE3 MET 73 2HE MET 73 18.437 4.735 7.592 620 H MET 74 H MET 74 14.792 -0.403 8.584 621 HA MET 74 HA MET 74 12.002 -0.932 9.334 622 HB2 MET 74 1HB MET 74 14.280 -2.621 8.583 623 HB3 MET 74 2HB MET 74 13.403 -3.200 9.993 624 HG2 MET 74 1HG MET 74 11.344 -3.255 8.747 625 HG3 MET 74 2HG MET 74 12.138 -2.540 7.346 626 HE1 MET 74 3HE MET 74 10.371 -5.224 7.389 627 HE2 MET 74 1HE MET 74 11.073 -4.607 5.894 628 HE3 MET 74 2HE MET 74 11.312 -6.294 6.349 629 H MET 75 H MET 75 11.407 -1.290 11.447 630 HA MET 75 HA MET 75 13.475 -1.059 13.511 631 HB2 MET 75 1HB MET 75 10.896 0.495 13.673 632 HB3 MET 75 2HB MET 75 12.308 0.632 14.713 633 HG2 MET 75 1HG MET 75 13.479 1.278 12.438 634 HG3 MET 75 2HG MET 75 11.833 1.724 11.997 635 HE1 MET 75 3HE MET 75 14.495 4.636 13.299 636 HE2 MET 75 1HE MET 75 15.059 3.128 14.020 637 HE3 MET 75 2HE MET 75 14.623 3.179 12.312 638 H GLY 76 H GLY 76 12.961 -2.025 15.497 639 HA2 GLY 76 1HA GLY 76 12.056 -3.690 16.795 640 HA3 GLY 76 2HA GLY 76 10.509 -3.006 16.321 641 H THR 77 H THR 77 12.696 -4.332 13.959 642 HA THR 77 HA THR 77 10.732 -6.436 13.401 643 HB THR 77 HB THR 77 11.971 -6.686 11.235 644 HG1 THR 77 HG1 THR 77 13.963 -5.827 11.672 645 HG21 THR 77 3HG2 THR 77 11.043 -4.701 10.217 646 HG22 THR 77 1HG2 THR 77 10.984 -3.884 11.779 647 HG23 THR 77 2HG2 THR 77 9.942 -5.274 11.470 648 H ARG 78 H ARG 78 11.828 -7.339 15.501 649 HA ARG 78 HA ARG 78 13.690 -9.392 14.597 650 HB2 ARG 78 1HB ARG 78 15.056 -9.050 16.706 651 HB3 ARG 78 2HB ARG 78 15.252 -7.832 15.453 652 HG2 ARG 78 1HG ARG 78 13.687 -6.368 16.671 653 HG3 ARG 78 2HG ARG 78 13.593 -7.579 17.952 654 HD2 ARG 78 1HD ARG 78 16.210 -6.410 17.053 655 HD3 ARG 78 2HD ARG 78 15.214 -5.630 18.280 656 HE ARG 78 HE ARG 78 15.661 -8.365 18.902 657 HH11 ARG 78 1HH1 ARG 78 17.175 -5.231 18.931 658 HH12 ARG 78 2HH1 ARG 78 18.249 -5.617 20.235 659 HH21 ARG 78 1HH2 ARG 78 17.069 -8.886 20.620 660 HH22 ARG 78 2HH2 ARG 78 18.188 -7.697 21.194 661 H GLU 79 H GLU 79 13.728 -11.264 15.935 662 HA GLU 79 HA GLU 79 11.650 -11.386 18.005 663 HB2 GLU 79 1HB GLU 79 10.563 -12.281 16.074 664 HB3 GLU 79 2HB GLU 79 11.967 -13.253 15.657 665 HG2 GLU 79 1HG GLU 79 11.618 -14.660 17.583 666 HG3 GLU 79 2HG GLU 79 10.283 -13.642 18.121 667 H GLU 80 H GLU 80 12.439 -12.182 19.830 668 HA GLU 80 HA GLU 80 14.736 -14.022 19.682 669 HB2 GLU 80 1HB GLU 80 15.465 -13.094 21.862 670 HB3 GLU 80 2HB GLU 80 15.472 -11.900 20.572 671 HG2 GLU 80 1HG GLU 80 13.547 -10.837 21.398 672 HG3 GLU 80 2HG GLU 80 13.169 -12.184 22.471 673 H SER 81 H SER 81 14.799 -15.748 21.125 674 HA SER 81 HA SER 81 12.254 -16.298 22.508 675 HB2 SER 81 1HB SER 81 14.177 -18.346 21.386 676 HB3 SER 81 2HB SER 81 12.573 -18.648 22.054 677 HG SER 81 HG SER 81 12.349 -18.599 19.857 Start of MODEL 18 1 H1 MET 1 H MET 1 0.201 0.794 -0.658 2 HA MET 1 HA MET 1 1.008 -1.770 -1.866 3 HB2 MET 1 1HB MET 1 1.170 1.009 -3.043 4 HB3 MET 1 2HB MET 1 1.834 -0.437 -3.792 5 HG2 MET 1 1HG MET 1 -0.132 -0.399 -4.885 6 HG3 MET 1 2HG MET 1 -0.675 -1.264 -3.450 7 HE1 MET 1 3HE MET 1 -2.933 1.068 -5.392 8 HE2 MET 1 1HE MET 1 -1.933 2.514 -5.255 9 HE3 MET 1 2HE MET 1 -1.233 1.013 -5.862 10 H ALA 2 H ALA 2 3.161 -2.295 -1.906 11 HA ALA 2 HA ALA 2 4.839 -0.933 -0.001 12 HB1 ALA 2 1HB ALA 2 6.503 -2.744 -0.786 13 HB2 ALA 2 2HB ALA 2 5.069 -3.241 0.114 14 HB3 ALA 2 3HB ALA 2 5.117 -3.423 -1.640 15 H LEU 3 H LEU 3 7.195 -0.550 -0.606 16 HA LEU 3 HA LEU 3 7.400 0.606 -3.304 17 HB2 LEU 3 1HB LEU 3 8.604 1.866 -0.856 18 HB3 LEU 3 2HB LEU 3 8.467 2.551 -2.474 19 HG LEU 3 HG LEU 3 5.883 2.318 -1.975 20 HD11 LEU 3 1HD1 LEU 3 5.783 1.323 0.102 21 HD12 LEU 3 2HD1 LEU 3 5.654 3.033 0.512 22 HD13 LEU 3 3HD1 LEU 3 7.193 2.194 0.706 23 HD21 LEU 3 3HD2 LEU 3 5.933 4.556 -1.912 24 HD22 LEU 3 1HD2 LEU 3 7.679 4.372 -2.087 25 HD23 LEU 3 2HD2 LEU 3 6.972 4.589 -0.486 26 HA PRO 4 HA PRO 4 11.161 -1.657 -3.607 27 HB2 PRO 4 1HB PRO 4 12.410 -0.186 -5.517 28 HB3 PRO 4 2HB PRO 4 11.048 -1.258 -5.866 29 HG2 PRO 4 1HG PRO 4 11.072 1.710 -5.475 30 HG3 PRO 4 2HG PRO 4 10.208 0.749 -6.689 31 HD2 PRO 4 1HD PRO 4 9.000 1.717 -4.467 32 HD3 PRO 4 2HD PRO 4 8.521 0.183 -5.223 33 H MET 5 H MET 5 11.759 -0.949 -1.387 34 HA MET 5 HA MET 5 14.013 0.946 -1.483 35 HB2 MET 5 1HB MET 5 12.499 0.526 1.057 36 HB3 MET 5 2HB MET 5 13.413 1.929 0.520 37 HG2 MET 5 1HG MET 5 11.642 2.442 -1.100 38 HG3 MET 5 2HG MET 5 10.721 1.061 -0.508 39 HE1 MET 5 3HE MET 5 9.866 3.764 -0.991 40 HE2 MET 5 1HE MET 5 8.694 3.908 0.320 41 HE3 MET 5 2HE MET 5 10.067 5.011 0.241 42 H ILE 6 H ILE 6 15.552 0.592 0.398 43 HA ILE 6 HA ILE 6 15.970 -2.302 0.720 44 HB ILE 6 HB ILE 6 17.984 -0.057 0.888 45 HG12 ILE 6 1HG1 ILE 6 17.686 -2.232 -1.192 46 HG13 ILE 6 2HG1 ILE 6 17.119 -0.579 -1.400 47 HG21 ILE 6 1HG2 ILE 6 18.058 -2.817 1.773 48 HG22 ILE 6 2HG2 ILE 6 19.333 -2.455 0.611 49 HG23 ILE 6 3HG2 ILE 6 19.188 -1.500 2.086 50 HD11 ILE 6 3HD1 ILE 6 19.506 0.143 -0.997 51 HD12 ILE 6 1HD1 ILE 6 19.944 -1.557 -1.164 52 HD13 ILE 6 2HD1 ILE 6 19.183 -0.706 -2.508 53 H VAL 7 H VAL 7 16.205 -3.197 2.706 54 HA VAL 7 HA VAL 7 15.688 -1.445 5.003 55 HB VAL 7 HB VAL 7 15.261 -3.682 6.180 56 HG11 VAL 7 1HG1 VAL 7 13.427 -2.265 5.705 57 HG12 VAL 7 2HG1 VAL 7 13.502 -2.626 3.979 58 HG13 VAL 7 3HG1 VAL 7 12.975 -3.866 5.118 59 HG21 VAL 7 3HG2 VAL 7 14.858 -4.722 3.394 60 HG22 VAL 7 1HG2 VAL 7 16.383 -4.944 4.251 61 HG23 VAL 7 2HG2 VAL 7 14.893 -5.614 4.915 62 H LYS 8 H LYS 8 17.250 -1.004 6.405 63 HA LYS 8 HA LYS 8 19.376 -2.937 6.892 64 HB2 LYS 8 1HB LYS 8 20.254 -0.121 6.464 65 HB3 LYS 8 2HB LYS 8 21.150 -1.620 6.250 66 HG2 LYS 8 1HG LYS 8 19.871 -2.076 4.206 67 HG3 LYS 8 2HG LYS 8 19.016 -0.546 4.415 68 HD2 LYS 8 1HD LYS 8 22.009 -0.614 4.317 69 HD3 LYS 8 2HD LYS 8 21.063 -0.647 2.826 70 HE2 LYS 8 1HE LYS 8 19.864 1.408 3.740 71 HE3 LYS 8 2HE LYS 8 21.155 1.491 4.938 72 HZ1 LYS 8 3HZ LYS 8 22.765 1.705 3.181 73 HZ2 LYS 8 1HZ LYS 8 21.576 2.893 2.988 74 HZ3 LYS 8 2HZ LYS 8 21.570 1.522 1.997 75 H TRP 9 H TRP 9 18.815 -3.217 8.997 76 HA TRP 9 HA TRP 9 18.468 -0.864 10.698 77 HB2 TRP 9 1HB TRP 9 16.833 -2.764 10.799 78 HB3 TRP 9 2HB TRP 9 18.127 -3.777 11.433 79 HD1 TRP 9 HD1 TRP 9 17.730 -4.088 13.936 80 HE1 TRP 9 HE1 TRP 9 17.068 -2.570 15.906 81 HE3 TRP 9 HE3 TRP 9 16.972 0.275 11.381 82 HZ2 TRP 9 HZ2 TRP 9 16.322 0.120 16.323 83 HZ3 TRP 9 HZ3 TRP 9 16.285 2.274 12.640 84 HH2 TRP 9 HH2 TRP 9 15.967 2.196 15.059 85 H GLY 10 H GLY 10 20.026 -4.023 11.261 86 HA2 GLY 10 1HA GLY 10 22.580 -2.808 11.795 87 HA3 GLY 10 2HA GLY 10 21.746 -3.325 13.253 88 H GLY 11 H GLY 11 21.240 -5.583 13.502 89 HA2 GLY 11 1HA GLY 11 23.380 -7.263 12.666 90 HA3 GLY 11 2HA GLY 11 21.952 -7.770 13.556 91 H GLN 12 H GLN 12 20.571 -6.326 11.078 92 HA GLN 12 HA GLN 12 20.945 -8.444 9.107 93 HB2 GLN 12 1HB GLN 12 18.650 -9.065 9.011 94 HB3 GLN 12 2HB GLN 12 19.124 -9.147 10.702 95 HG2 GLN 12 1HG GLN 12 18.205 -6.652 10.666 96 HG3 GLN 12 2HG GLN 12 17.249 -7.312 9.340 97 HE21 GLN 12 2HE2 GLN 12 15.323 -7.921 9.983 98 HE22 GLN 12 1HE2 GLN 12 14.933 -8.659 11.495 99 H GLU 13 H GLU 13 20.533 -7.821 7.025 100 HA GLU 13 HA GLU 13 19.182 -5.300 6.507 101 HB2 GLU 13 1HB GLU 13 21.301 -4.356 6.746 102 HB3 GLU 13 2HB GLU 13 22.111 -5.756 6.056 103 HG2 GLU 13 1HG GLU 13 21.523 -5.155 3.867 104 HG3 GLU 13 2HG GLU 13 20.318 -3.994 4.422 105 H TYR 14 H TYR 14 17.682 -6.095 5.159 106 HA TYR 14 HA TYR 14 18.566 -7.828 2.952 107 HB2 TYR 14 1HB TYR 14 15.682 -7.426 3.650 108 HB3 TYR 14 2HB TYR 14 16.468 -8.822 2.920 109 HD1 TYR 14 HD2 TYR 14 18.329 -9.914 4.546 110 HD2 TYR 14 HD1 TYR 14 14.937 -7.678 5.812 111 HE1 TYR 14 HE2 TYR 14 18.435 -11.009 6.746 112 HE2 TYR 14 HE1 TYR 14 15.035 -8.766 8.016 113 HH TYR 14 HH TYR 14 16.402 -11.435 8.690 114 H SER 15 H SER 15 16.443 -7.498 1.231 115 HA SER 15 HA SER 15 16.500 -4.639 0.541 116 HB2 SER 15 1HB SER 15 16.714 -5.329 -1.868 117 HB3 SER 15 2HB SER 15 18.141 -5.668 -0.889 118 HG SER 15 HG SER 15 16.224 -7.675 -1.067 119 H VAL 16 H VAL 16 14.551 -3.818 0.178 120 HA VAL 16 HA VAL 16 12.323 -5.679 -0.315 121 HB VAL 16 HB VAL 16 12.045 -2.853 0.688 122 HG11 VAL 16 1HG1 VAL 16 10.228 -4.911 -0.071 123 HG12 VAL 16 2HG1 VAL 16 10.059 -4.616 1.660 124 HG13 VAL 16 3HG1 VAL 16 9.875 -3.286 0.517 125 HG21 VAL 16 3HG2 VAL 16 11.759 -3.960 2.955 126 HG22 VAL 16 1HG2 VAL 16 12.530 -5.378 2.245 127 HG23 VAL 16 2HG2 VAL 16 13.406 -3.850 2.336 128 H THR 17 H THR 17 13.889 -4.945 -2.487 129 HA THR 17 HA THR 17 12.808 -2.696 -3.873 130 HB THR 17 HB THR 17 15.053 -3.524 -4.389 131 HG1 THR 17 HG1 THR 17 14.787 -3.505 -6.682 132 HG21 THR 17 3HG2 THR 17 14.163 -5.794 -6.008 133 HG22 THR 17 1HG2 THR 17 13.941 -6.028 -4.274 134 HG23 THR 17 2HG2 THR 17 15.541 -5.653 -4.916 135 H THR 18 H THR 18 11.843 -3.012 -6.121 136 HA THR 18 HA THR 18 9.513 -4.735 -5.836 137 HB THR 18 HB THR 18 9.074 -2.446 -6.493 138 HG1 THR 18 HG1 THR 18 8.688 -3.950 -8.860 139 HG21 THR 18 3HG2 THR 18 10.439 -1.319 -7.845 140 HG22 THR 18 1HG2 THR 18 10.052 -2.413 -9.172 141 HG23 THR 18 2HG2 THR 18 11.393 -2.782 -8.089 142 H LEU 19 H LEU 19 12.542 -4.994 -7.161 143 HA LEU 19 HA LEU 19 13.514 -6.539 -8.520 144 HB2 LEU 19 1HB LEU 19 10.865 -7.867 -8.933 145 HB3 LEU 19 2HB LEU 19 12.473 -8.587 -8.887 146 HG LEU 19 HG LEU 19 11.095 -7.440 -6.465 147 HD11 LEU 19 1HD1 LEU 19 9.933 -9.314 -6.174 148 HD12 LEU 19 2HD1 LEU 19 11.321 -10.326 -6.569 149 HD13 LEU 19 3HD1 LEU 19 10.297 -9.693 -7.858 150 HD21 LEU 19 3HD2 LEU 19 13.696 -8.681 -7.021 151 HD22 LEU 19 1HD2 LEU 19 12.847 -9.330 -5.617 152 HD23 LEU 19 2HD2 LEU 19 13.204 -7.605 -5.712 153 H SER 20 H SER 20 12.913 -7.738 -10.816 154 HA SER 20 HA SER 20 12.504 -5.507 -12.608 155 HB2 SER 20 1HB SER 20 13.135 -8.411 -13.189 156 HB3 SER 20 2HB SER 20 13.140 -7.109 -14.378 157 HG SER 20 HG SER 20 14.952 -6.322 -13.540 158 H GLU 21 H GLU 21 11.162 -5.896 -14.626 159 HA GLU 21 HA GLU 21 8.469 -6.231 -13.895 160 HB2 GLU 21 1HB GLU 21 8.042 -6.171 -16.369 161 HB3 GLU 21 2HB GLU 21 8.990 -4.825 -15.753 162 HG2 GLU 21 1HG GLU 21 10.531 -7.141 -16.713 163 HG3 GLU 21 2HG GLU 21 9.635 -6.246 -17.939 164 H ASP 22 H ASP 22 10.841 -8.448 -15.162 165 HA ASP 22 HA ASP 22 9.123 -10.470 -16.085 166 HB2 ASP 22 1HB ASP 22 11.718 -10.180 -16.310 167 HB3 ASP 22 2HB ASP 22 11.761 -11.122 -14.822 168 H ASP 23 H ASP 23 9.924 -9.445 -12.913 169 HA ASP 23 HA ASP 23 8.625 -11.846 -11.798 170 HB2 ASP 23 1HB ASP 23 10.554 -10.059 -10.314 171 HB3 ASP 23 2HB ASP 23 9.951 -11.639 -9.822 172 H THR 24 H THR 24 8.048 -11.071 -9.299 173 HA THR 24 HA THR 24 6.669 -8.507 -9.376 174 HB THR 24 HB THR 24 4.634 -9.954 -8.357 175 HG1 THR 24 HG1 THR 24 4.505 -11.705 -10.112 176 HG21 THR 24 3HG2 THR 24 3.827 -8.603 -9.961 177 HG22 THR 24 1HG2 THR 24 3.996 -10.002 -11.019 178 HG23 THR 24 2HG2 THR 24 5.266 -8.780 -10.964 179 H VAL 25 H VAL 25 5.472 -8.169 -7.215 180 HA VAL 25 HA VAL 25 7.352 -8.381 -5.127 181 HB VAL 25 HB VAL 25 4.422 -7.666 -5.088 182 HG11 VAL 25 1HG1 VAL 25 4.743 -8.393 -2.905 183 HG12 VAL 25 2HG1 VAL 25 6.414 -7.828 -2.857 184 HG13 VAL 25 3HG1 VAL 25 5.088 -6.666 -2.802 185 HG21 VAL 25 3HG2 VAL 25 5.382 -5.384 -4.642 186 HG22 VAL 25 1HG2 VAL 25 6.968 -6.060 -5.012 187 HG23 VAL 25 2HG2 VAL 25 5.710 -6.035 -6.247 188 H LEU 26 H LEU 26 4.755 -10.440 -6.154 189 HA LEU 26 HA LEU 26 4.198 -11.857 -3.834 190 HB2 LEU 26 1HB LEU 26 3.641 -13.751 -5.383 191 HB3 LEU 26 2HB LEU 26 2.842 -12.219 -5.731 192 HG LEU 26 HG LEU 26 4.940 -12.001 -7.385 193 HD11 LEU 26 1HD1 LEU 26 5.939 -13.906 -7.965 194 HD12 LEU 26 2HD1 LEU 26 4.416 -14.793 -8.011 195 HD13 LEU 26 3HD1 LEU 26 5.265 -14.577 -6.480 196 HD21 LEU 26 3HD2 LEU 26 2.772 -11.679 -8.205 197 HD22 LEU 26 1HD2 LEU 26 2.273 -13.318 -7.788 198 HD23 LEU 26 2HD2 LEU 26 3.389 -13.051 -9.127 199 H ASP 27 H ASP 27 6.830 -12.262 -6.148 200 HA ASP 27 HA ASP 27 7.862 -14.670 -5.120 201 HB2 ASP 27 1HB ASP 27 8.857 -12.503 -6.886 202 HB3 ASP 27 2HB ASP 27 10.076 -13.526 -6.131 203 H LEU 28 H LEU 28 9.391 -11.468 -4.789 204 HA LEU 28 HA LEU 28 11.118 -12.106 -2.737 205 HB2 LEU 28 1HB LEU 28 11.463 -9.822 -2.439 206 HB3 LEU 28 2HB LEU 28 10.969 -9.974 -4.123 207 HG LEU 28 HG LEU 28 8.586 -9.442 -3.064 208 HD11 LEU 28 1HD1 LEU 28 8.558 -8.459 -1.058 209 HD12 LEU 28 2HD1 LEU 28 10.024 -7.536 -1.385 210 HD13 LEU 28 3HD1 LEU 28 10.139 -9.204 -0.826 211 HD21 LEU 28 3HD2 LEU 28 9.275 -8.068 -4.779 212 HD22 LEU 28 1HD2 LEU 28 10.789 -7.648 -3.978 213 HD23 LEU 28 2HD2 LEU 28 9.271 -6.948 -3.416 214 H LYS 29 H LYS 29 7.731 -11.195 -2.569 215 HA LYS 29 HA LYS 29 7.442 -10.630 0.115 216 HB2 LYS 29 1HB LYS 29 5.604 -10.369 -1.436 217 HB3 LYS 29 2HB LYS 29 5.556 -12.102 -1.732 218 HG2 LYS 29 1HG LYS 29 4.632 -12.558 0.353 219 HG3 LYS 29 2HG LYS 29 5.117 -10.995 1.015 220 HD2 LYS 29 1HD LYS 29 3.200 -11.128 -1.279 221 HD3 LYS 29 2HD LYS 29 2.631 -11.403 0.369 222 HE2 LYS 29 1HE LYS 29 3.443 -9.235 1.053 223 HE3 LYS 29 2HE LYS 29 4.165 -8.968 -0.533 224 HZ1 LYS 29 3HZ LYS 29 1.406 -8.711 0.309 225 HZ2 LYS 29 1HZ LYS 29 1.627 -9.456 -1.194 226 HZ3 LYS 29 2HZ LYS 29 2.244 -7.905 -0.920 227 H GLN 30 H GLN 30 7.032 -13.831 -1.411 228 HA GLN 30 HA GLN 30 6.690 -15.280 0.950 229 HB2 GLN 30 1HB GLN 30 7.619 -16.003 -1.807 230 HB3 GLN 30 2HB GLN 30 7.668 -17.204 -0.523 231 HG2 GLN 30 1HG GLN 30 5.222 -16.701 -0.138 232 HG3 GLN 30 2HG GLN 30 5.270 -15.793 -1.648 233 HE21 GLN 30 2HE2 GLN 30 5.543 -18.949 -0.189 234 HE22 GLN 30 1HE2 GLN 30 5.308 -19.857 -1.640 235 H PHE 31 H PHE 31 9.604 -14.249 -0.713 236 HA PHE 31 HA PHE 31 11.435 -15.845 0.730 237 HB2 PHE 31 1HB PHE 31 11.598 -13.463 -1.032 238 HB3 PHE 31 2HB PHE 31 12.959 -13.736 0.050 239 HD1 PHE 31 HD1 PHE 31 14.193 -15.910 -0.070 240 HD2 PHE 31 HD2 PHE 31 11.305 -14.750 -2.974 241 HE1 PHE 31 HE1 PHE 31 15.108 -17.570 -1.639 242 HE2 PHE 31 HE2 PHE 31 12.214 -16.409 -4.546 243 HZ PHE 31 HZ PHE 31 14.118 -17.823 -3.880 244 H LEU 32 H LEU 32 10.151 -12.596 1.265 245 HA LEU 32 HA LEU 32 11.791 -11.931 3.459 246 HB2 LEU 32 1HB LEU 32 9.035 -10.982 2.698 247 HB3 LEU 32 2HB LEU 32 10.010 -10.265 3.979 248 HG LEU 32 HG LEU 32 10.577 -10.253 1.019 249 HD11 LEU 32 1HD1 LEU 32 8.917 -8.629 2.132 250 HD12 LEU 32 2HD1 LEU 32 10.174 -7.968 1.088 251 HD13 LEU 32 3HD1 LEU 32 10.352 -7.888 2.841 252 HD21 LEU 32 3HD2 LEU 32 12.698 -10.544 1.968 253 HD22 LEU 32 1HD2 LEU 32 12.314 -9.528 3.357 254 HD23 LEU 32 2HD2 LEU 32 12.540 -8.798 1.767 255 H LYS 33 H LYS 33 8.804 -13.733 3.190 256 HA LYS 33 HA LYS 33 8.187 -13.757 5.969 257 HB2 LYS 33 1HB LYS 33 7.334 -15.641 3.763 258 HB3 LYS 33 2HB LYS 33 6.632 -15.588 5.374 259 HG2 LYS 33 1HG LYS 33 5.459 -13.696 4.955 260 HG3 LYS 33 2HG LYS 33 6.672 -13.057 3.844 261 HD2 LYS 33 1HD LYS 33 5.634 -13.925 2.064 262 HD3 LYS 33 2HD LYS 33 5.427 -15.491 2.852 263 HE2 LYS 33 1HE LYS 33 3.692 -13.063 3.296 264 HE3 LYS 33 2HE LYS 33 3.278 -14.440 2.275 265 HZ1 LYS 33 3HZ LYS 33 3.567 -15.831 4.339 266 HZ2 LYS 33 1HZ LYS 33 2.221 -14.806 4.322 267 HZ3 LYS 33 2HZ LYS 33 3.593 -14.386 5.218 268 H THR 34 H THR 34 10.112 -15.789 3.860 269 HA THR 34 HA THR 34 10.534 -17.782 5.929 270 HB THR 34 HB THR 34 11.860 -18.982 4.304 271 HG1 THR 34 HG1 THR 34 11.509 -16.738 2.579 272 HG21 THR 34 3HG2 THR 34 10.191 -19.103 2.398 273 HG22 THR 34 1HG2 THR 34 9.312 -17.807 3.207 274 HG23 THR 34 2HG2 THR 34 9.537 -19.358 4.016 275 H LEU 35 H LEU 35 12.120 -14.989 4.617 276 HA LEU 35 HA LEU 35 14.688 -15.618 5.785 277 HB2 LEU 35 1HB LEU 35 14.117 -14.201 3.655 278 HB3 LEU 35 2HB LEU 35 13.946 -12.893 4.823 279 HG LEU 35 HG LEU 35 16.435 -14.518 4.303 280 HD11 LEU 35 1HD1 LEU 35 17.314 -12.643 3.239 281 HD12 LEU 35 2HD1 LEU 35 16.079 -11.570 3.896 282 HD13 LEU 35 3HD1 LEU 35 15.660 -12.728 2.633 283 HD21 LEU 35 3HD2 LEU 35 17.464 -12.782 5.827 284 HD22 LEU 35 1HD2 LEU 35 16.449 -13.996 6.606 285 HD23 LEU 35 2HD2 LEU 35 15.820 -12.374 6.321 286 H THR 36 H THR 36 12.077 -13.286 6.379 287 HA THR 36 HA THR 36 13.230 -12.798 9.047 288 HB THR 36 HB THR 36 12.634 -10.599 8.976 289 HG1 THR 36 HG1 THR 36 10.668 -10.901 6.978 290 HG21 THR 36 3HG2 THR 36 13.034 -9.639 6.786 291 HG22 THR 36 1HG2 THR 36 12.680 -11.184 6.013 292 HG23 THR 36 2HG2 THR 36 14.109 -11.015 7.034 293 H GLY 37 H GLY 37 10.221 -13.272 7.240 294 HA2 GLY 37 1HA GLY 37 8.111 -13.877 7.931 295 HA3 GLY 37 2HA GLY 37 8.976 -14.933 9.038 296 H VAL 38 H VAL 38 9.287 -11.466 9.215 297 HA VAL 38 HA VAL 38 7.676 -11.494 11.685 298 HB VAL 38 HB VAL 38 10.131 -11.235 12.075 299 HG11 VAL 38 1HG1 VAL 38 10.603 -9.954 10.012 300 HG12 VAL 38 2HG1 VAL 38 9.766 -8.568 10.714 301 HG13 VAL 38 3HG1 VAL 38 11.240 -9.182 11.464 302 HG21 VAL 38 3HG2 VAL 38 9.178 -8.631 12.961 303 HG22 VAL 38 1HG2 VAL 38 8.011 -9.922 13.246 304 HG23 VAL 38 2HG2 VAL 38 9.642 -10.047 13.904 305 H LEU 39 H LEU 39 8.182 -10.092 8.621 306 HA LEU 39 HA LEU 39 7.129 -7.508 9.061 307 HB2 LEU 39 1HB LEU 39 6.739 -8.917 6.464 308 HB3 LEU 39 2HB LEU 39 7.180 -7.239 6.776 309 HG LEU 39 HG LEU 39 8.967 -9.662 6.917 310 HD11 LEU 39 1HD1 LEU 39 8.695 -8.936 4.680 311 HD12 LEU 39 2HD1 LEU 39 10.247 -8.304 5.227 312 HD13 LEU 39 3HD1 LEU 39 8.844 -7.239 5.137 313 HD21 LEU 39 3HD2 LEU 39 10.104 -8.570 8.495 314 HD22 LEU 39 1HD2 LEU 39 9.167 -7.093 8.266 315 HD23 LEU 39 2HD2 LEU 39 10.552 -7.429 7.227 316 HA PRO 40 HA PRO 40 2.935 -9.462 7.605 317 HB2 PRO 40 1HB PRO 40 2.755 -12.167 7.745 318 HB3 PRO 40 2HB PRO 40 3.307 -11.315 6.298 319 HG2 PRO 40 1HG PRO 40 4.916 -12.661 8.434 320 HG3 PRO 40 2HG PRO 40 5.136 -12.701 6.675 321 HD2 PRO 40 1HD PRO 40 6.621 -11.117 8.292 322 HD3 PRO 40 2HD PRO 40 6.192 -10.653 6.633 323 H GLU 41 H GLU 41 4.808 -10.235 10.311 324 HA GLU 41 HA GLU 41 2.436 -10.918 11.911 325 HB2 GLU 41 1HB GLU 41 5.373 -11.297 12.517 326 HB3 GLU 41 2HB GLU 41 4.064 -11.689 13.624 327 HG2 GLU 41 1HG GLU 41 4.058 -12.891 10.902 328 HG3 GLU 41 2HG GLU 41 5.161 -13.527 12.122 329 H ARG 42 H ARG 42 5.525 -9.363 12.734 330 HA ARG 42 HA ARG 42 4.110 -6.943 13.542 331 HB2 ARG 42 1HB ARG 42 6.014 -8.262 15.464 332 HB3 ARG 42 2HB ARG 42 4.896 -6.940 15.771 333 HG2 ARG 42 1HG ARG 42 3.056 -8.658 15.234 334 HG3 ARG 42 2HG ARG 42 4.323 -9.861 15.482 335 HD2 ARG 42 1HD ARG 42 4.739 -8.945 17.720 336 HD3 ARG 42 2HD ARG 42 3.454 -7.763 17.468 337 HE ARG 42 HE ARG 42 2.249 -10.174 17.053 338 HH11 ARG 42 1HH1 ARG 42 4.083 -8.759 19.651 339 HH12 ARG 42 2HH1 ARG 42 3.266 -9.653 20.890 340 HH21 ARG 42 1HH2 ARG 42 1.166 -11.358 18.675 341 HH22 ARG 42 2HH2 ARG 42 1.608 -11.132 20.333 342 H GLN 43 H GLN 43 5.147 -5.443 12.399 343 HA GLN 43 HA GLN 43 8.071 -5.320 12.605 344 HB2 GLN 43 1HB GLN 43 8.053 -4.511 10.177 345 HB3 GLN 43 2HB GLN 43 7.839 -6.234 10.454 346 HG2 GLN 43 1HG GLN 43 6.311 -5.513 8.759 347 HG3 GLN 43 2HG GLN 43 5.403 -5.937 10.210 348 HE21 GLN 43 2HE2 GLN 43 3.667 -4.672 10.121 349 HE22 GLN 43 1HE2 GLN 43 3.691 -2.951 9.978 350 H LYS 44 H LYS 44 8.949 -3.176 12.094 351 HA LYS 44 HA LYS 44 6.991 -1.019 12.524 352 HB2 LYS 44 1HB LYS 44 9.672 -1.407 13.855 353 HB3 LYS 44 2HB LYS 44 8.812 0.127 13.866 354 HG2 LYS 44 1HG LYS 44 7.293 -2.241 14.764 355 HG3 LYS 44 2HG LYS 44 8.601 -1.687 15.813 356 HD2 LYS 44 1HD LYS 44 6.449 0.129 14.741 357 HD3 LYS 44 2HD LYS 44 6.335 -0.701 16.295 358 HE2 LYS 44 1HE LYS 44 8.497 0.385 16.934 359 HE3 LYS 44 2HE LYS 44 8.399 1.326 15.447 360 HZ1 LYS 44 3HZ LYS 44 6.688 1.468 17.841 361 HZ2 LYS 44 1HZ LYS 44 6.093 1.981 16.342 362 HZ3 LYS 44 2HZ LYS 44 7.461 2.720 17.006 363 H LEU 45 H LEU 45 7.927 -1.830 10.011 364 HA LEU 45 HA LEU 45 10.152 -0.339 9.110 365 HB2 LEU 45 1HB LEU 45 7.839 -1.072 7.355 366 HB3 LEU 45 2HB LEU 45 9.553 -0.989 6.951 367 HG LEU 45 HG LEU 45 8.150 -3.129 8.544 368 HD11 LEU 45 1HD1 LEU 45 8.287 -2.906 5.881 369 HD12 LEU 45 2HD1 LEU 45 8.320 -4.455 6.723 370 HD13 LEU 45 3HD1 LEU 45 9.826 -3.712 6.184 371 HD21 LEU 45 3HD2 LEU 45 10.219 -2.862 9.634 372 HD22 LEU 45 1HD2 LEU 45 11.077 -2.597 8.116 373 HD23 LEU 45 2HD2 LEU 45 10.453 -4.199 8.508 374 H LEU 46 H LEU 46 10.319 1.658 8.176 375 HA LEU 46 HA LEU 46 8.194 3.529 8.780 376 HB2 LEU 46 1HB LEU 46 10.896 3.989 7.524 377 HB3 LEU 46 2HB LEU 46 9.791 5.241 8.090 378 HG LEU 46 HG LEU 46 11.373 5.118 9.782 379 HD11 LEU 46 1HD1 LEU 46 10.256 4.169 11.700 380 HD12 LEU 46 2HD1 LEU 46 9.245 3.170 10.656 381 HD13 LEU 46 3HD1 LEU 46 9.069 4.924 10.636 382 HD21 LEU 46 3HD2 LEU 46 12.215 2.846 8.752 383 HD22 LEU 46 1HD2 LEU 46 11.271 2.157 10.073 384 HD23 LEU 46 2HD2 LEU 46 12.583 3.284 10.421 385 H GLY 47 H GLY 47 6.617 3.962 7.394 386 HA2 GLY 47 1HA GLY 47 5.634 4.627 5.399 387 HA3 GLY 47 2HA GLY 47 7.194 4.457 4.609 388 H LEU 48 H LEU 48 7.918 1.978 4.687 389 HA LEU 48 HA LEU 48 6.102 0.630 2.975 390 HB2 LEU 48 1HB LEU 48 8.400 0.236 2.634 391 HB3 LEU 48 2HB LEU 48 8.658 -0.179 4.328 392 HG LEU 48 HG LEU 48 7.277 -2.239 3.932 393 HD11 LEU 48 1HD1 LEU 48 7.758 -2.224 1.066 394 HD12 LEU 48 2HD1 LEU 48 6.607 -0.988 1.573 395 HD13 LEU 48 3HD1 LEU 48 6.315 -2.680 1.972 396 HD21 LEU 48 3HD2 LEU 48 9.085 -3.476 2.976 397 HD22 LEU 48 1HD2 LEU 48 9.772 -2.177 3.952 398 HD23 LEU 48 2HD2 LEU 48 9.731 -2.031 2.195 399 H LYS 49 H LYS 49 5.001 -1.342 3.309 400 HA LYS 49 HA LYS 49 3.588 -2.725 4.433 401 HB2 LYS 49 1HB LYS 49 6.013 -2.617 6.166 402 HB3 LYS 49 2HB LYS 49 4.570 -3.389 6.810 403 HG2 LYS 49 1HG LYS 49 5.417 -4.196 4.095 404 HG3 LYS 49 2HG LYS 49 6.433 -4.710 5.444 405 HD2 LYS 49 1HD LYS 49 4.598 -5.826 6.491 406 HD3 LYS 49 2HD LYS 49 3.450 -5.137 5.341 407 HE2 LYS 49 1HE LYS 49 4.248 -6.474 3.582 408 HE3 LYS 49 2HE LYS 49 5.721 -6.892 4.456 409 HZ1 LYS 49 3HZ LYS 49 4.340 -8.133 6.043 410 HZ2 LYS 49 1HZ LYS 49 4.212 -8.744 4.470 411 HZ3 LYS 49 2HZ LYS 49 2.969 -7.794 5.111 412 H VAL 50 H VAL 50 2.255 -0.668 4.500 413 HA VAL 50 HA VAL 50 2.013 0.664 7.037 414 HB VAL 50 HB VAL 50 -0.004 1.728 5.997 415 HG11 VAL 50 1HG1 VAL 50 2.533 2.399 5.736 416 HG12 VAL 50 2HG1 VAL 50 2.218 2.023 4.040 417 HG13 VAL 50 3HG1 VAL 50 1.263 3.257 4.863 418 HG21 VAL 50 3HG2 VAL 50 -0.527 -0.205 4.505 419 HG22 VAL 50 1HG2 VAL 50 -0.511 1.358 3.686 420 HG23 VAL 50 2HG2 VAL 50 0.855 0.255 3.510 421 H LYS 51 H LYS 51 -0.238 0.855 8.031 422 HA LYS 51 HA LYS 51 -1.235 -1.859 8.481 423 HB2 LYS 51 1HB LYS 51 -0.504 -0.290 10.370 424 HB3 LYS 51 2HB LYS 51 -1.985 0.603 10.048 425 HG2 LYS 51 1HG LYS 51 -2.195 -2.325 10.484 426 HG3 LYS 51 2HG LYS 51 -1.865 -1.294 11.878 427 HD2 LYS 51 1HD LYS 51 -4.038 -0.451 10.043 428 HD3 LYS 51 2HD LYS 51 -4.341 -1.859 11.063 429 HE2 LYS 51 1HE LYS 51 -3.399 -0.314 12.954 430 HE3 LYS 51 2HE LYS 51 -3.834 0.980 11.839 431 HZ1 LYS 51 3HZ LYS 51 -5.959 -0.864 12.032 432 HZ2 LYS 51 1HZ LYS 51 -5.942 0.779 12.434 433 HZ3 LYS 51 2HZ LYS 51 -5.504 -0.378 13.587 434 H GLY 52 H GLY 52 -3.207 -2.518 7.865 435 HA2 GLY 52 1HA GLY 52 -5.462 -2.348 7.285 436 HA3 GLY 52 2HA GLY 52 -5.316 -0.597 7.325 437 H LYS 53 H LYS 53 -2.768 -1.352 5.556 438 HA LYS 53 HA LYS 53 -4.178 -1.812 3.037 439 HB2 LYS 53 1HB LYS 53 -2.432 0.584 3.617 440 HB3 LYS 53 2HB LYS 53 -2.893 0.085 1.994 441 HG2 LYS 53 1HG LYS 53 -5.079 0.470 3.948 442 HG3 LYS 53 2HG LYS 53 -4.236 1.914 3.383 443 HD2 LYS 53 1HD LYS 53 -5.213 -0.140 1.434 444 HD3 LYS 53 2HD LYS 53 -6.316 1.076 2.084 445 HE2 LYS 53 1HE LYS 53 -3.682 1.842 0.868 446 HE3 LYS 53 2HE LYS 53 -5.110 1.579 -0.131 447 HZ1 LYS 53 3HZ LYS 53 -5.713 3.259 2.076 448 HZ2 LYS 53 1HZ LYS 53 -5.888 3.564 0.421 449 HZ3 LYS 53 2HZ LYS 53 -4.418 3.892 1.191 450 HA PRO 54 HA PRO 54 -0.129 -4.081 3.451 451 HB2 PRO 54 1HB PRO 54 -1.144 -6.512 2.795 452 HB3 PRO 54 2HB PRO 54 -1.131 -5.892 4.450 453 HG2 PRO 54 1HG PRO 54 -3.363 -5.922 2.456 454 HG3 PRO 54 2HG PRO 54 -3.405 -6.300 4.188 455 HD2 PRO 54 1HD PRO 54 -4.217 -3.915 3.198 456 HD3 PRO 54 2HD PRO 54 -3.469 -4.079 4.800 457 H ALA 55 H ALA 55 1.207 -4.284 1.754 458 HA ALA 55 HA ALA 55 0.565 -3.512 -0.812 459 HB1 ALA 55 1HB ALA 55 2.769 -5.459 -0.174 460 HB2 ALA 55 2HB ALA 55 2.709 -4.272 -1.479 461 HB3 ALA 55 3HB ALA 55 2.863 -3.736 0.194 462 H GLU 56 H GLU 56 0.269 -4.628 -2.779 463 HA GLU 56 HA GLU 56 -0.892 -7.313 -2.444 464 HB2 GLU 56 1HB GLU 56 -2.296 -5.288 -3.278 465 HB3 GLU 56 2HB GLU 56 -1.446 -5.534 -4.797 466 HG2 GLU 56 1HG GLU 56 -2.461 -7.552 -5.201 467 HG3 GLU 56 2HG GLU 56 -2.793 -7.849 -3.495 468 H ASN 57 H ASN 57 -0.642 -8.811 -4.248 469 HA ASN 57 HA ASN 57 2.055 -9.018 -5.077 470 HB2 ASN 57 1HB ASN 57 1.318 -10.994 -6.326 471 HB3 ASN 57 2HB ASN 57 0.632 -10.987 -4.704 472 HD21 ASN 57 2HD2 ASN 57 -0.375 -12.467 -6.867 473 HD22 ASN 57 1HD2 ASN 57 -1.955 -11.874 -7.236 474 H ASP 58 H ASP 58 -0.764 -7.606 -6.508 475 HA ASP 58 HA ASP 58 -0.161 -7.638 -9.205 476 HB2 ASP 58 1HB ASP 58 -1.538 -5.570 -7.500 477 HB3 ASP 58 2HB ASP 58 -1.384 -5.385 -9.245 478 H VAL 59 H VAL 59 1.290 -5.787 -6.642 479 HA VAL 59 HA VAL 59 2.487 -3.720 -8.062 480 HB VAL 59 HB VAL 59 3.559 -5.212 -5.663 481 HG11 VAL 59 1HG1 VAL 59 4.838 -3.079 -5.281 482 HG12 VAL 59 2HG1 VAL 59 5.393 -4.059 -6.639 483 HG13 VAL 59 3HG1 VAL 59 4.417 -2.619 -6.930 484 HG21 VAL 59 3HG2 VAL 59 1.307 -4.094 -5.470 485 HG22 VAL 59 1HG2 VAL 59 2.534 -3.537 -4.332 486 HG23 VAL 59 2HG2 VAL 59 2.134 -2.560 -5.745 487 H LYS 60 H LYS 60 4.421 -3.473 -9.135 488 HA LYS 60 HA LYS 60 6.412 -5.477 -9.324 489 HB2 LYS 60 1HB LYS 60 6.001 -5.849 -11.855 490 HB3 LYS 60 2HB LYS 60 5.052 -6.774 -10.699 491 HG2 LYS 60 1HG LYS 60 3.142 -5.908 -11.431 492 HG3 LYS 60 2HG LYS 60 3.780 -4.263 -11.391 493 HD2 LYS 60 1HD LYS 60 4.406 -4.308 -13.578 494 HD3 LYS 60 2HD LYS 60 4.762 -6.037 -13.553 495 HE2 LYS 60 1HE LYS 60 2.870 -5.862 -14.914 496 HE3 LYS 60 2HE LYS 60 2.230 -6.362 -13.349 497 HZ1 LYS 60 3HZ LYS 60 1.167 -4.417 -13.066 498 HZ2 LYS 60 1HZ LYS 60 1.272 -4.314 -14.752 499 HZ3 LYS 60 2HZ LYS 60 2.393 -3.498 -13.783 500 H LEU 61 H LEU 61 7.881 -4.970 -11.334 501 HA LEU 61 HA LEU 61 8.862 -2.382 -11.034 502 HB2 LEU 61 1HB LEU 61 10.131 -4.319 -11.913 503 HB3 LEU 61 2HB LEU 61 9.222 -4.193 -13.417 504 HG LEU 61 HG LEU 61 10.209 -1.738 -13.391 505 HD11 LEU 61 1HD1 LEU 61 12.531 -3.138 -12.164 506 HD12 LEU 61 2HD1 LEU 61 11.310 -2.426 -11.109 507 HD13 LEU 61 3HD1 LEU 61 12.174 -1.414 -12.266 508 HD21 LEU 61 3HD2 LEU 61 11.870 -2.465 -14.908 509 HD22 LEU 61 1HD2 LEU 61 10.535 -3.607 -15.059 510 HD23 LEU 61 2HD2 LEU 61 11.977 -4.053 -14.146 511 H GLY 62 H GLY 62 6.377 -3.621 -13.122 512 HA2 GLY 62 1HA GLY 62 6.345 -1.200 -14.750 513 HA3 GLY 62 2HA GLY 62 5.339 -2.623 -14.980 514 H ALA 63 H ALA 63 5.590 -1.298 -11.803 515 HA ALA 63 HA ALA 63 3.004 0.066 -12.127 516 HB1 ALA 63 1HB ALA 63 3.256 -1.176 -9.528 517 HB2 ALA 63 2HB ALA 63 1.946 -1.279 -10.705 518 HB3 ALA 63 3HB ALA 63 3.330 -2.366 -10.828 519 H LEU 64 H LEU 64 5.933 -0.352 -10.197 520 HA LEU 64 HA LEU 64 5.761 2.472 -9.438 521 HB2 LEU 64 1HB LEU 64 6.875 1.347 -7.206 522 HB3 LEU 64 2HB LEU 64 5.208 1.897 -7.359 523 HG LEU 64 HG LEU 64 4.554 -0.416 -7.979 524 HD11 LEU 64 1HD1 LEU 64 6.005 -2.164 -8.088 525 HD12 LEU 64 2HD1 LEU 64 7.140 -1.441 -6.948 526 HD13 LEU 64 3HD1 LEU 64 7.084 -0.873 -8.617 527 HD21 LEU 64 3HD2 LEU 64 5.815 -0.979 -5.441 528 HD22 LEU 64 1HD2 LEU 64 4.109 -0.751 -5.826 529 HD23 LEU 64 2HD2 LEU 64 5.127 0.645 -5.473 530 H LYS 65 H LYS 65 7.365 2.649 -11.129 531 HA LYS 65 HA LYS 65 9.906 1.347 -10.842 532 HB2 LYS 65 1HB LYS 65 9.196 3.742 -12.544 533 HB3 LYS 65 2HB LYS 65 10.602 2.702 -12.730 534 HG2 LYS 65 1HG LYS 65 9.277 0.885 -13.463 535 HG3 LYS 65 2HG LYS 65 7.783 1.694 -12.985 536 HD2 LYS 65 1HD LYS 65 9.643 2.801 -15.077 537 HD3 LYS 65 2HD LYS 65 8.318 1.699 -15.461 538 HE2 LYS 65 1HE LYS 65 6.714 3.259 -15.023 539 HE3 LYS 65 2HE LYS 65 7.689 4.079 -13.805 540 HZ1 LYS 65 3HZ LYS 65 9.108 4.584 -15.996 541 HZ2 LYS 65 1HZ LYS 65 7.887 5.606 -15.424 542 HZ3 LYS 65 2HZ LYS 65 7.559 4.512 -16.672 543 H LEU 66 H LEU 66 9.502 2.426 -8.439 544 HA LEU 66 HA LEU 66 10.558 5.070 -8.172 545 HB2 LEU 66 1HB LEU 66 9.456 3.023 -6.452 546 HB3 LEU 66 2HB LEU 66 10.872 3.780 -5.726 547 HG LEU 66 HG LEU 66 8.839 5.617 -6.833 548 HD11 LEU 66 1HD1 LEU 66 7.203 5.292 -5.248 549 HD12 LEU 66 2HD1 LEU 66 8.277 4.415 -4.160 550 HD13 LEU 66 3HD1 LEU 66 7.667 3.631 -5.617 551 HD21 LEU 66 3HD2 LEU 66 10.980 6.206 -5.589 552 HD22 LEU 66 1HD2 LEU 66 10.168 5.617 -4.138 553 HD23 LEU 66 2HD2 LEU 66 9.494 6.979 -5.034 554 H LYS 67 H LYS 67 12.425 5.185 -6.352 555 HA LYS 67 HA LYS 67 14.653 3.558 -7.390 556 HB2 LYS 67 1HB LYS 67 16.122 5.421 -7.138 557 HB3 LYS 67 2HB LYS 67 14.704 5.998 -8.004 558 HG2 LYS 67 1HG LYS 67 13.831 6.979 -5.959 559 HG3 LYS 67 2HG LYS 67 15.219 6.364 -5.059 560 HD2 LYS 67 1HD LYS 67 15.527 8.715 -5.605 561 HD3 LYS 67 2HD LYS 67 16.713 7.722 -6.455 562 HE2 LYS 67 1HE LYS 67 15.351 7.826 -8.480 563 HE3 LYS 67 2HE LYS 67 14.151 8.799 -7.631 564 HZ1 LYS 67 3HZ LYS 67 16.932 9.732 -7.711 565 HZ2 LYS 67 1HZ LYS 67 15.499 10.628 -7.627 566 HZ3 LYS 67 2HZ LYS 67 15.971 9.923 -9.090 567 HA PRO 68 HA PRO 68 15.502 2.173 -3.312 568 HB2 PRO 68 1HB PRO 68 18.209 1.969 -3.369 569 HB3 PRO 68 2HB PRO 68 17.143 0.850 -4.227 570 HG2 PRO 68 1HG PRO 68 18.647 3.216 -5.277 571 HG3 PRO 68 2HG PRO 68 18.446 1.608 -5.998 572 HD2 PRO 68 1HD PRO 68 16.992 3.751 -6.789 573 HD3 PRO 68 2HD PRO 68 16.346 2.098 -6.813 574 H ASN 69 H ASN 69 16.622 5.195 -4.421 575 HA ASN 69 HA ASN 69 18.218 6.130 -2.365 576 HB2 ASN 69 1HB ASN 69 17.509 7.282 -4.567 577 HB3 ASN 69 2HB ASN 69 16.124 7.867 -3.650 578 HD21 ASN 69 2HD2 ASN 69 19.637 7.827 -3.770 579 HD22 ASN 69 1HD2 ASN 69 19.866 9.313 -2.919 580 H THR 70 H THR 70 14.828 5.463 -2.376 581 HA THR 70 HA THR 70 13.817 7.072 -0.395 582 HB THR 70 HB THR 70 12.501 4.843 0.244 583 HG1 THR 70 HG1 THR 70 13.148 4.211 -2.417 584 HG21 THR 70 3HG2 THR 70 11.387 6.684 -0.766 585 HG22 THR 70 1HG2 THR 70 11.039 5.280 -1.772 586 HG23 THR 70 2HG2 THR 70 12.246 6.457 -2.289 587 H LYS 71 H LYS 71 15.501 3.968 0.033 588 HA LYS 71 HA LYS 71 16.567 3.044 1.818 589 HB2 LYS 71 1HB LYS 71 16.888 5.968 2.243 590 HB3 LYS 71 2HB LYS 71 17.262 4.916 3.602 591 HG2 LYS 71 1HG LYS 71 18.789 3.644 2.072 592 HG3 LYS 71 2HG LYS 71 18.531 4.918 0.877 593 HD2 LYS 71 1HD LYS 71 19.560 5.406 3.669 594 HD3 LYS 71 2HD LYS 71 20.599 5.191 2.258 595 HE2 LYS 71 1HE LYS 71 18.447 7.290 2.425 596 HE3 LYS 71 2HE LYS 71 20.116 7.578 2.914 597 HZ1 LYS 71 3HZ LYS 71 20.117 6.413 0.364 598 HZ2 LYS 71 1HZ LYS 71 20.633 7.961 0.812 599 HZ3 LYS 71 2HZ LYS 71 19.027 7.707 0.346 600 H ILE 72 H ILE 72 15.085 1.795 2.823 601 HA ILE 72 HA ILE 72 13.287 3.069 4.770 602 HB ILE 72 HB ILE 72 12.200 1.694 3.031 603 HG12 ILE 72 1HG1 ILE 72 11.549 1.848 5.616 604 HG13 ILE 72 2HG1 ILE 72 10.622 0.878 4.475 605 HG21 ILE 72 1HG2 ILE 72 13.852 0.056 2.557 606 HG22 ILE 72 2HG2 ILE 72 13.875 -0.499 4.230 607 HG23 ILE 72 3HG2 ILE 72 12.461 -0.800 3.220 608 HD11 ILE 72 3HD1 ILE 72 11.442 -1.107 5.295 609 HD12 ILE 72 1HD1 ILE 72 12.887 -0.355 5.969 610 HD13 ILE 72 2HD1 ILE 72 11.325 -0.125 6.755 611 H MET 73 H MET 73 13.127 2.287 6.879 612 HA MET 73 HA MET 73 15.375 0.586 7.735 613 HB2 MET 73 1HB MET 73 14.219 3.077 8.840 614 HB3 MET 73 2HB MET 73 14.672 1.850 10.016 615 HG2 MET 73 1HG MET 73 16.932 1.788 8.914 616 HG3 MET 73 2HG MET 73 16.434 3.212 8.003 617 HE1 MET 73 3HE MET 73 14.975 5.180 9.834 618 HE2 MET 73 1HE MET 73 16.354 6.046 10.511 619 HE3 MET 73 2HE MET 73 16.377 5.534 8.823 620 H MET 74 H MET 74 14.974 -1.167 8.985 621 HA MET 74 HA MET 74 12.150 -1.729 9.595 622 HB2 MET 74 1HB MET 74 12.947 -4.146 9.649 623 HB3 MET 74 2HB MET 74 12.915 -3.364 8.074 624 HG2 MET 74 1HG MET 74 15.272 -3.077 8.077 625 HG3 MET 74 2HG MET 74 15.389 -3.569 9.765 626 HE1 MET 74 3HE MET 74 16.792 -4.805 6.768 627 HE2 MET 74 1HE MET 74 17.416 -4.891 8.415 628 HE3 MET 74 2HE MET 74 17.132 -6.373 7.502 629 H MET 75 H MET 75 11.584 -1.728 11.663 630 HA MET 75 HA MET 75 13.671 -2.210 13.687 631 HB2 MET 75 1HB MET 75 13.031 0.040 13.949 632 HB3 MET 75 2HB MET 75 11.331 -0.321 13.679 633 HG2 MET 75 1HG MET 75 11.006 -1.075 15.815 634 HG3 MET 75 2HG MET 75 12.697 -1.521 16.031 635 HE1 MET 75 3HE MET 75 10.447 1.253 15.099 636 HE2 MET 75 1HE MET 75 10.627 2.449 16.383 637 HE3 MET 75 2HE MET 75 11.681 2.508 14.970 638 H GLY 76 H GLY 76 13.160 -3.480 15.479 639 HA2 GLY 76 1HA GLY 76 12.089 -5.136 16.658 640 HA3 GLY 76 2HA GLY 76 10.579 -4.505 16.020 641 H THR 77 H THR 77 12.798 -5.311 13.595 642 HA THR 77 HA THR 77 11.166 -7.579 12.812 643 HB THR 77 HB THR 77 12.902 -7.545 10.836 644 HG1 THR 77 HG1 THR 77 13.087 -4.845 11.698 645 HG21 THR 77 3HG2 THR 77 10.391 -6.659 11.102 646 HG22 THR 77 1HG2 THR 77 11.331 -6.426 9.628 647 HG23 THR 77 2HG2 THR 77 11.198 -5.120 10.806 648 H ARG 78 H ARG 78 11.644 -9.594 13.359 649 HA ARG 78 HA ARG 78 12.784 -11.461 13.984 650 HB2 ARG 78 1HB ARG 78 14.054 -10.630 11.805 651 HB3 ARG 78 2HB ARG 78 15.360 -10.368 12.954 652 HG2 ARG 78 1HG ARG 78 13.978 -12.992 13.009 653 HG3 ARG 78 2HG ARG 78 15.061 -12.651 11.658 654 HD2 ARG 78 1HD ARG 78 16.703 -11.893 13.541 655 HD3 ARG 78 2HD ARG 78 15.674 -12.887 14.572 656 HE ARG 78 HE ARG 78 17.592 -13.805 12.673 657 HH11 ARG 78 1HH1 ARG 78 14.542 -14.572 14.166 658 HH12 ARG 78 2HH1 ARG 78 14.714 -16.281 13.942 659 HH21 ARG 78 1HH2 ARG 78 17.830 -16.053 12.373 660 HH22 ARG 78 2HH2 ARG 78 16.585 -17.123 12.923 661 H GLU 79 H GLU 79 12.418 -9.848 16.045 662 HA GLU 79 HA GLU 79 13.134 -9.361 18.148 663 HB2 GLU 79 1HB GLU 79 15.531 -11.073 17.476 664 HB3 GLU 79 2HB GLU 79 14.951 -10.657 19.082 665 HG2 GLU 79 1HG GLU 79 14.090 -12.747 18.896 666 HG3 GLU 79 2HG GLU 79 12.753 -11.821 18.218 667 H GLU 80 H GLU 80 13.978 -7.748 15.806 668 HA GLU 80 HA GLU 80 15.497 -6.126 15.206 669 HB2 GLU 80 1HB GLU 80 15.778 -4.440 16.943 670 HB3 GLU 80 2HB GLU 80 14.134 -5.063 16.952 671 HG2 GLU 80 1HG GLU 80 14.470 -6.264 18.922 672 HG3 GLU 80 2HG GLU 80 16.225 -6.166 18.788 673 H SER 81 H SER 81 16.828 -8.542 15.518 674 HA SER 81 HA SER 81 19.229 -7.963 17.078 675 HB2 SER 81 1HB SER 81 18.148 -10.221 17.194 676 HB3 SER 81 2HB SER 81 18.566 -10.458 15.497 677 HG SER 81 HG SER 81 20.063 -11.230 17.285 Start of MODEL 19 1 H1 MET 1 H MET 1 2.805 1.660 -2.477 2 HA MET 1 HA MET 1 3.537 0.431 0.088 3 HB2 MET 1 1HB MET 1 1.244 -0.467 -1.666 4 HB3 MET 1 2HB MET 1 1.777 -1.247 -0.183 5 HG2 MET 1 1HG MET 1 0.871 0.361 1.159 6 HG3 MET 1 2HG MET 1 1.007 1.617 -0.069 7 HE1 MET 1 3HE MET 1 -0.340 2.293 -1.528 8 HE2 MET 1 1HE MET 1 -1.471 1.304 -2.452 9 HE3 MET 1 2HE MET 1 -2.058 2.310 -1.127 10 H ALA 2 H ALA 2 4.777 -1.388 -0.047 11 HA ALA 2 HA ALA 2 6.240 -2.884 -0.943 12 HB1 ALA 2 1HB ALA 2 5.383 -3.834 -3.255 13 HB2 ALA 2 2HB ALA 2 4.599 -4.260 -1.733 14 HB3 ALA 2 3HB ALA 2 3.898 -3.016 -2.768 15 H LEU 3 H LEU 3 6.994 -0.284 -1.317 16 HA LEU 3 HA LEU 3 7.692 0.169 -4.081 17 HB2 LEU 3 1HB LEU 3 8.637 1.639 -1.627 18 HB3 LEU 3 2HB LEU 3 8.744 2.191 -3.297 19 HG LEU 3 HG LEU 3 6.106 1.957 -3.155 20 HD11 LEU 3 1HD1 LEU 3 5.569 2.934 -0.790 21 HD12 LEU 3 2HD1 LEU 3 7.037 2.075 -0.326 22 HD13 LEU 3 3HD1 LEU 3 5.685 1.191 -1.034 23 HD21 LEU 3 3HD2 LEU 3 6.549 4.082 -3.670 24 HD22 LEU 3 1HD2 LEU 3 8.017 4.100 -2.693 25 HD23 LEU 3 2HD2 LEU 3 6.453 4.406 -1.938 26 HA PRO 4 HA PRO 4 11.574 -1.897 -4.102 27 HB2 PRO 4 1HB PRO 4 12.857 -0.444 -6.003 28 HB3 PRO 4 2HB PRO 4 11.564 -1.589 -6.379 29 HG2 PRO 4 1HG PRO 4 11.437 1.390 -6.108 30 HG3 PRO 4 2HG PRO 4 10.681 0.344 -7.324 31 HD2 PRO 4 1HD PRO 4 9.316 1.340 -5.209 32 HD3 PRO 4 2HD PRO 4 8.946 -0.242 -5.926 33 H MET 5 H MET 5 12.020 -1.076 -1.885 34 HA MET 5 HA MET 5 14.206 0.895 -1.944 35 HB2 MET 5 1HB MET 5 12.617 0.588 0.550 36 HB3 MET 5 2HB MET 5 13.423 2.009 -0.101 37 HG2 MET 5 1HG MET 5 11.657 2.264 -1.759 38 HG3 MET 5 2HG MET 5 10.854 0.827 -1.130 39 HE1 MET 5 3HE MET 5 9.979 3.600 -1.780 40 HE2 MET 5 1HE MET 5 8.658 3.693 -0.615 41 HE3 MET 5 2HE MET 5 10.001 4.832 -0.518 42 H ILE 6 H ILE 6 15.705 0.675 -0.062 43 HA ILE 6 HA ILE 6 16.078 -2.175 0.581 44 HB ILE 6 HB ILE 6 18.088 0.040 0.223 45 HG12 ILE 6 1HG1 ILE 6 19.061 -1.805 -1.309 46 HG13 ILE 6 2HG1 ILE 6 17.479 -2.563 -1.160 47 HG21 ILE 6 1HG2 ILE 6 18.391 -2.619 1.573 48 HG22 ILE 6 2HG2 ILE 6 19.757 -1.828 0.787 49 HG23 ILE 6 3HG2 ILE 6 18.923 -1.029 2.120 50 HD11 ILE 6 3HD1 ILE 6 18.107 -0.869 -3.114 51 HD12 ILE 6 1HD1 ILE 6 16.473 -1.028 -2.470 52 HD13 ILE 6 2HD1 ILE 6 17.514 0.287 -1.922 53 H VAL 7 H VAL 7 16.332 -2.813 2.661 54 HA VAL 7 HA VAL 7 15.924 -0.761 4.721 55 HB VAL 7 HB VAL 7 14.248 -2.448 4.834 56 HG11 VAL 7 1HG1 VAL 7 14.985 -4.870 5.250 57 HG12 VAL 7 2HG1 VAL 7 15.089 -4.247 3.603 58 HG13 VAL 7 3HG1 VAL 7 16.542 -4.366 4.595 59 HG21 VAL 7 3HG2 VAL 7 15.183 -1.698 6.985 60 HG22 VAL 7 1HG2 VAL 7 14.569 -3.349 7.063 61 HG23 VAL 7 2HG2 VAL 7 16.305 -3.058 6.956 62 H LYS 8 H LYS 8 17.400 -0.359 6.261 63 HA LYS 8 HA LYS 8 19.633 -2.221 6.625 64 HB2 LYS 8 1HB LYS 8 20.097 0.746 6.368 65 HB3 LYS 8 2HB LYS 8 21.296 -0.540 6.403 66 HG2 LYS 8 1HG LYS 8 20.473 -1.340 4.228 67 HG3 LYS 8 2HG LYS 8 19.326 0.002 4.190 68 HD2 LYS 8 1HD LYS 8 22.256 0.512 4.554 69 HD3 LYS 8 2HD LYS 8 21.587 0.234 2.944 70 HE2 LYS 8 1HE LYS 8 21.488 2.538 3.134 71 HE3 LYS 8 2HE LYS 8 19.865 2.048 3.616 72 HZ1 LYS 8 3HZ LYS 8 21.503 3.657 5.045 73 HZ2 LYS 8 1HZ LYS 8 21.724 2.162 5.805 74 HZ3 LYS 8 2HZ LYS 8 20.172 2.821 5.670 75 H TRP 9 H TRP 9 17.979 -2.458 8.487 76 HA TRP 9 HA TRP 9 18.114 -0.411 10.517 77 HB2 TRP 9 1HB TRP 9 16.119 -1.940 10.075 78 HB3 TRP 9 2HB TRP 9 17.049 -3.211 10.864 79 HD1 TRP 9 HD1 TRP 9 16.137 -3.516 13.229 80 HE1 TRP 9 HE1 TRP 9 15.399 -1.961 15.142 81 HE3 TRP 9 HE3 TRP 9 16.696 0.988 10.876 82 HZ2 TRP 9 HZ2 TRP 9 15.093 0.808 15.594 83 HZ3 TRP 9 HZ3 TRP 9 16.159 3.042 12.119 84 HH2 TRP 9 HH2 TRP 9 15.374 2.952 14.429 85 H GLY 10 H GLY 10 18.981 -0.727 12.642 86 HA2 GLY 10 1HA GLY 10 21.598 -1.700 12.691 87 HA3 GLY 10 2HA GLY 10 20.638 -1.322 14.114 88 H GLY 11 H GLY 11 22.050 -3.785 12.243 89 HA2 GLY 11 1HA GLY 11 22.416 -5.906 13.411 90 HA3 GLY 11 2HA GLY 11 20.750 -5.808 13.959 91 H GLN 12 H GLN 12 19.780 -4.903 11.338 92 HA GLN 12 HA GLN 12 20.255 -7.285 9.694 93 HB2 GLN 12 1HB GLN 12 17.489 -6.211 10.247 94 HB3 GLN 12 2HB GLN 12 17.911 -7.670 9.360 95 HG2 GLN 12 1HG GLN 12 17.292 -8.566 11.359 96 HG3 GLN 12 2HG GLN 12 19.021 -8.355 11.631 97 HE21 GLN 12 2HE2 GLN 12 17.867 -8.575 13.865 98 HE22 GLN 12 1HE2 GLN 12 17.532 -7.074 14.650 99 H GLU 13 H GLU 13 20.509 -6.838 7.597 100 HA GLU 13 HA GLU 13 19.453 -4.300 6.556 101 HB2 GLU 13 1HB GLU 13 21.802 -3.919 7.031 102 HB3 GLU 13 2HB GLU 13 22.248 -5.375 6.152 103 HG2 GLU 13 1HG GLU 13 21.945 -4.409 4.110 104 HG3 GLU 13 2HG GLU 13 20.735 -3.273 4.703 105 H TYR 14 H TYR 14 17.791 -5.484 5.550 106 HA TYR 14 HA TYR 14 18.606 -7.402 3.487 107 HB2 TYR 14 1HB TYR 14 15.788 -6.770 4.364 108 HB3 TYR 14 2HB TYR 14 16.347 -8.174 3.462 109 HD1 TYR 14 HD2 TYR 14 18.477 -9.324 4.872 110 HD2 TYR 14 HD1 TYR 14 15.094 -7.312 6.488 111 HE1 TYR 14 HE2 TYR 14 18.747 -10.571 6.974 112 HE2 TYR 14 HE1 TYR 14 15.355 -8.553 8.595 113 HH TYR 14 HH TYR 14 16.506 -10.973 9.175 114 H SER 15 H SER 15 16.690 -7.255 1.641 115 HA SER 15 HA SER 15 16.729 -4.470 0.681 116 HB2 SER 15 1HB SER 15 17.002 -6.850 -1.152 117 HB3 SER 15 2HB SER 15 17.316 -5.152 -1.511 118 HG SER 15 HG SER 15 19.104 -6.839 -0.875 119 H VAL 16 H VAL 16 14.765 -3.703 0.321 120 HA VAL 16 HA VAL 16 12.558 -5.599 -0.099 121 HB VAL 16 HB VAL 16 12.250 -2.691 0.613 122 HG11 VAL 16 1HG1 VAL 16 10.175 -3.964 1.740 123 HG12 VAL 16 2HG1 VAL 16 10.147 -3.343 0.088 124 HG13 VAL 16 3HG1 VAL 16 10.486 -5.049 0.384 125 HG21 VAL 16 3HG2 VAL 16 13.516 -3.391 2.424 126 HG22 VAL 16 1HG2 VAL 16 11.868 -3.691 2.976 127 HG23 VAL 16 2HG2 VAL 16 12.856 -5.026 2.384 128 H THR 17 H THR 17 14.288 -4.914 -2.256 129 HA THR 17 HA THR 17 13.264 -2.857 -3.886 130 HB THR 17 HB THR 17 15.467 -3.859 -4.284 131 HG1 THR 17 HG1 THR 17 15.303 -3.747 -6.483 132 HG21 THR 17 3HG2 THR 17 14.464 -6.197 -5.726 133 HG22 THR 17 1HG2 THR 17 14.196 -6.274 -3.985 134 HG23 THR 17 2HG2 THR 17 15.828 -6.050 -4.618 135 H THR 18 H THR 18 12.335 -3.377 -6.133 136 HA THR 18 HA THR 18 9.907 -4.938 -5.709 137 HB THR 18 HB THR 18 9.766 -2.606 -6.597 138 HG1 THR 18 HG1 THR 18 8.109 -4.162 -7.023 139 HG21 THR 18 3HG2 THR 18 11.846 -2.959 -8.073 140 HG22 THR 18 1HG2 THR 18 10.506 -2.029 -8.742 141 HG23 THR 18 2HG2 THR 18 10.734 -3.712 -9.216 142 H LEU 19 H LEU 19 12.931 -5.431 -6.992 143 HA LEU 19 HA LEU 19 13.838 -7.142 -8.190 144 HB2 LEU 19 1HB LEU 19 11.119 -8.347 -8.533 145 HB3 LEU 19 2HB LEU 19 12.683 -9.154 -8.434 146 HG LEU 19 HG LEU 19 11.364 -7.769 -6.104 147 HD11 LEU 19 1HD1 LEU 19 11.400 -10.576 -5.783 148 HD12 LEU 19 2HD1 LEU 19 10.663 -10.231 -7.347 149 HD13 LEU 19 3HD1 LEU 19 10.004 -9.502 -5.883 150 HD21 LEU 19 3HD2 LEU 19 13.464 -7.966 -5.333 151 HD22 LEU 19 1HD2 LEU 19 13.912 -9.155 -6.556 152 HD23 LEU 19 2HD2 LEU 19 13.035 -9.663 -5.113 153 H SER 20 H SER 20 13.288 -8.456 -10.399 154 HA SER 20 HA SER 20 13.141 -6.414 -12.388 155 HB2 SER 20 1HB SER 20 13.457 -9.402 -12.454 156 HB3 SER 20 2HB SER 20 13.176 -8.502 -13.944 157 HG SER 20 HG SER 20 15.286 -8.324 -13.849 158 H GLU 21 H GLU 21 11.671 -6.428 -14.227 159 HA GLU 21 HA GLU 21 8.994 -6.302 -13.497 160 HB2 GLU 21 1HB GLU 21 8.514 -6.197 -15.923 161 HB3 GLU 21 2HB GLU 21 9.828 -5.132 -15.444 162 HG2 GLU 21 1HG GLU 21 11.443 -6.814 -16.240 163 HG3 GLU 21 2HG GLU 21 10.096 -7.811 -16.788 164 H ASP 22 H ASP 22 10.832 -8.951 -14.905 165 HA ASP 22 HA ASP 22 8.738 -10.650 -15.609 166 HB2 ASP 22 1HB ASP 22 11.560 -11.195 -14.703 167 HB3 ASP 22 2HB ASP 22 10.461 -12.495 -15.158 168 H ASP 23 H ASP 23 10.292 -10.108 -12.497 169 HA ASP 23 HA ASP 23 8.730 -12.186 -11.213 170 HB2 ASP 23 1HB ASP 23 10.589 -10.140 -9.982 171 HB3 ASP 23 2HB ASP 23 9.933 -11.567 -9.184 172 H THR 24 H THR 24 8.072 -11.160 -8.799 173 HA THR 24 HA THR 24 6.520 -8.732 -9.179 174 HB THR 24 HB THR 24 4.539 -10.161 -8.076 175 HG1 THR 24 HG1 THR 24 6.106 -12.068 -8.592 176 HG21 THR 24 3HG2 THR 24 5.131 -9.083 -10.641 177 HG22 THR 24 1HG2 THR 24 3.554 -9.340 -9.896 178 HG23 THR 24 2HG2 THR 24 4.288 -10.615 -10.869 179 H VAL 25 H VAL 25 5.265 -8.229 -7.096 180 HA VAL 25 HA VAL 25 7.106 -8.171 -4.949 181 HB VAL 25 HB VAL 25 4.163 -7.501 -5.025 182 HG11 VAL 25 1HG1 VAL 25 4.590 -7.941 -2.761 183 HG12 VAL 25 2HG1 VAL 25 6.196 -7.213 -2.833 184 HG13 VAL 25 3HG1 VAL 25 4.759 -6.193 -2.917 185 HG21 VAL 25 3HG2 VAL 25 4.852 -5.665 -6.074 186 HG22 VAL 25 1HG2 VAL 25 5.740 -5.222 -4.616 187 HG23 VAL 25 2HG2 VAL 25 6.541 -6.138 -5.892 188 H LEU 26 H LEU 26 4.467 -10.293 -5.777 189 HA LEU 26 HA LEU 26 3.919 -11.462 -3.318 190 HB2 LEU 26 1HB LEU 26 3.151 -13.405 -4.585 191 HB3 LEU 26 2HB LEU 26 2.584 -11.892 -5.288 192 HG LEU 26 HG LEU 26 4.827 -12.325 -6.749 193 HD11 LEU 26 1HD1 LEU 26 4.457 -14.740 -5.411 194 HD12 LEU 26 2HD1 LEU 26 5.481 -14.445 -6.816 195 HD13 LEU 26 3HD1 LEU 26 3.826 -15.012 -7.036 196 HD21 LEU 26 3HD2 LEU 26 3.049 -13.542 -8.314 197 HD22 LEU 26 1HD2 LEU 26 3.007 -11.807 -8.003 198 HD23 LEU 26 2HD2 LEU 26 1.940 -12.888 -7.108 199 H ASP 27 H ASP 27 6.511 -12.126 -5.611 200 HA ASP 27 HA ASP 27 7.504 -14.465 -4.411 201 HB2 ASP 27 1HB ASP 27 8.535 -12.447 -6.326 202 HB3 ASP 27 2HB ASP 27 9.738 -13.434 -5.499 203 H LEU 28 H LEU 28 9.217 -11.350 -4.354 204 HA LEU 28 HA LEU 28 10.876 -11.871 -2.232 205 HB2 LEU 28 1HB LEU 28 11.313 -9.581 -2.114 206 HB3 LEU 28 2HB LEU 28 10.839 -9.861 -3.788 207 HG LEU 28 HG LEU 28 8.462 -9.145 -2.799 208 HD11 LEU 28 1HD1 LEU 28 8.487 -8.050 -0.866 209 HD12 LEU 28 2HD1 LEU 28 9.884 -7.087 -1.346 210 HD13 LEU 28 3HD1 LEU 28 10.117 -8.679 -0.624 211 HD21 LEU 28 3HD2 LEU 28 9.144 -7.956 -4.629 212 HD22 LEU 28 1HD2 LEU 28 10.728 -7.592 -3.943 213 HD23 LEU 28 2HD2 LEU 28 9.302 -6.715 -3.385 214 H LYS 29 H LYS 29 7.528 -10.822 -2.165 215 HA LYS 29 HA LYS 29 7.242 -10.001 0.450 216 HB2 LYS 29 1HB LYS 29 5.408 -9.830 -1.097 217 HB3 LYS 29 2HB LYS 29 5.338 -11.577 -1.288 218 HG2 LYS 29 1HG LYS 29 4.517 -11.864 0.928 219 HG3 LYS 29 2HG LYS 29 4.809 -10.167 1.317 220 HD2 LYS 29 1HD LYS 29 2.564 -10.092 0.877 221 HD3 LYS 29 2HD LYS 29 3.200 -9.779 -0.740 222 HE2 LYS 29 1HE LYS 29 1.434 -11.428 -0.855 223 HE3 LYS 29 2HE LYS 29 2.977 -12.176 -1.262 224 HZ1 LYS 29 3HZ LYS 29 1.941 -12.284 1.496 225 HZ2 LYS 29 1HZ LYS 29 3.048 -13.312 0.735 226 HZ3 LYS 29 2HZ LYS 29 1.407 -13.392 0.335 227 H GLN 30 H GLN 30 6.810 -13.326 -0.771 228 HA GLN 30 HA GLN 30 6.482 -14.485 1.785 229 HB2 GLN 30 1HB GLN 30 6.291 -16.482 0.687 230 HB3 GLN 30 2HB GLN 30 6.003 -15.391 -0.662 231 HG2 GLN 30 1HG GLN 30 8.348 -15.597 -1.325 232 HG3 GLN 30 2HG GLN 30 8.623 -16.706 0.018 233 HE21 GLN 30 2HE2 GLN 30 9.222 -17.497 -2.500 234 HE22 GLN 30 1HE2 GLN 30 8.099 -18.696 -3.036 235 H PHE 31 H PHE 31 9.282 -13.696 -0.131 236 HA PHE 31 HA PHE 31 11.139 -15.323 1.283 237 HB2 PHE 31 1HB PHE 31 11.268 -13.184 -0.755 238 HB3 PHE 31 2HB PHE 31 12.693 -13.349 0.265 239 HD1 PHE 31 HD1 PHE 31 13.856 -15.571 0.375 240 HD2 PHE 31 HD2 PHE 31 10.840 -14.691 -2.498 241 HE1 PHE 31 HE1 PHE 31 14.632 -17.450 -1.011 242 HE2 PHE 31 HE2 PHE 31 11.612 -16.569 -3.888 243 HZ PHE 31 HZ PHE 31 13.509 -17.952 -3.145 244 H LEU 32 H LEU 32 9.755 -12.187 1.824 245 HA LEU 32 HA LEU 32 11.726 -11.334 3.732 246 HB2 LEU 32 1HB LEU 32 8.996 -10.308 2.996 247 HB3 LEU 32 2HB LEU 32 9.992 -9.569 4.248 248 HG LEU 32 HG LEU 32 10.581 -9.724 1.296 249 HD11 LEU 32 1HD1 LEU 32 9.635 -7.626 3.166 250 HD12 LEU 32 2HD1 LEU 32 9.225 -7.908 1.475 251 HD13 LEU 32 3HD1 LEU 32 10.760 -7.148 1.894 252 HD21 LEU 32 3HD2 LEU 32 12.692 -10.001 2.219 253 HD22 LEU 32 1HD2 LEU 32 12.320 -9.004 3.625 254 HD23 LEU 32 2HD2 LEU 32 12.566 -8.250 2.050 255 H LYS 33 H LYS 33 8.480 -12.729 3.875 256 HA LYS 33 HA LYS 33 8.268 -12.613 6.713 257 HB2 LYS 33 1HB LYS 33 6.210 -13.612 6.455 258 HB3 LYS 33 2HB LYS 33 6.429 -12.914 4.855 259 HG2 LYS 33 1HG LYS 33 7.487 -15.250 4.320 260 HG3 LYS 33 2HG LYS 33 6.535 -15.761 5.716 261 HD2 LYS 33 1HD LYS 33 5.253 -14.137 3.559 262 HD3 LYS 33 2HD LYS 33 5.506 -15.867 3.318 263 HE2 LYS 33 1HE LYS 33 4.018 -14.605 5.620 264 HE3 LYS 33 2HE LYS 33 3.278 -15.384 4.222 265 HZ1 LYS 33 3HZ LYS 33 4.863 -16.633 6.384 266 HZ2 LYS 33 1HZ LYS 33 4.590 -17.420 4.911 267 HZ3 LYS 33 2HZ LYS 33 3.284 -16.993 5.898 268 H THR 34 H THR 34 9.715 -14.824 4.478 269 HA THR 34 HA THR 34 9.932 -16.952 6.449 270 HB THR 34 HB THR 34 11.189 -18.151 4.640 271 HG1 THR 34 HG1 THR 34 10.924 -17.122 2.506 272 HG21 THR 34 3HG2 THR 34 8.383 -17.263 4.513 273 HG22 THR 34 1HG2 THR 34 9.059 -18.892 4.505 274 HG23 THR 34 2HG2 THR 34 9.028 -17.943 3.019 275 H LEU 35 H LEU 35 11.895 -14.450 4.996 276 HA LEU 35 HA LEU 35 14.355 -15.466 6.133 277 HB2 LEU 35 1HB LEU 35 14.408 -14.350 3.980 278 HB3 LEU 35 2HB LEU 35 13.727 -12.891 4.697 279 HG LEU 35 HG LEU 35 16.259 -12.989 4.178 280 HD11 LEU 35 1HD1 LEU 35 16.074 -11.097 5.318 281 HD12 LEU 35 2HD1 LEU 35 16.367 -12.009 6.798 282 HD13 LEU 35 3HD1 LEU 35 14.716 -11.733 6.246 283 HD21 LEU 35 3HD2 LEU 35 16.356 -15.236 5.492 284 HD22 LEU 35 1HD2 LEU 35 16.448 -14.188 6.907 285 HD23 LEU 35 2HD2 LEU 35 17.673 -14.071 5.644 286 H THR 36 H THR 36 12.221 -12.672 6.634 287 HA THR 36 HA THR 36 13.698 -11.901 9.018 288 HB THR 36 HB THR 36 12.491 -9.902 9.025 289 HG1 THR 36 HG1 THR 36 10.406 -9.985 8.728 290 HG21 THR 36 3HG2 THR 36 12.596 -10.735 6.124 291 HG22 THR 36 1HG2 THR 36 13.937 -10.066 7.052 292 HG23 THR 36 2HG2 THR 36 12.514 -9.078 6.721 293 H GLY 37 H GLY 37 10.509 -13.155 8.132 294 HA2 GLY 37 1HA GLY 37 8.813 -14.043 9.406 295 HA3 GLY 37 2HA GLY 37 10.118 -14.692 10.387 296 H VAL 38 H VAL 38 9.700 -11.257 10.035 297 HA VAL 38 HA VAL 38 8.680 -11.139 12.800 298 HB VAL 38 HB VAL 38 10.552 -9.179 11.462 299 HG11 VAL 38 1HG1 VAL 38 10.630 -8.661 14.136 300 HG12 VAL 38 2HG1 VAL 38 9.658 -7.771 12.963 301 HG13 VAL 38 3HG1 VAL 38 8.932 -9.076 13.902 302 HG21 VAL 38 3HG2 VAL 38 11.803 -10.199 13.698 303 HG22 VAL 38 1HG2 VAL 38 11.011 -11.609 12.994 304 HG23 VAL 38 2HG2 VAL 38 12.134 -10.653 12.026 305 H LEU 39 H LEU 39 8.451 -9.956 9.544 306 HA LEU 39 HA LEU 39 6.950 -7.650 9.872 307 HB2 LEU 39 1HB LEU 39 6.360 -9.602 7.680 308 HB3 LEU 39 2HB LEU 39 6.350 -7.840 7.627 309 HG LEU 39 HG LEU 39 8.751 -9.660 7.662 310 HD11 LEU 39 1HD1 LEU 39 7.966 -9.551 5.477 311 HD12 LEU 39 2HD1 LEU 39 9.183 -8.277 5.537 312 HD13 LEU 39 3HD1 LEU 39 7.471 -7.866 5.634 313 HD21 LEU 39 3HD2 LEU 39 8.680 -6.646 7.759 314 HD22 LEU 39 1HD2 LEU 39 10.119 -7.657 7.634 315 HD23 LEU 39 2HD2 LEU 39 9.135 -7.702 9.097 316 HA PRO 40 HA PRO 40 2.990 -10.455 9.794 317 HB2 PRO 40 1HB PRO 40 3.368 -13.074 10.400 318 HB3 PRO 40 2HB PRO 40 3.425 -12.453 8.747 319 HG2 PRO 40 1HG PRO 40 5.680 -13.090 10.609 320 HG3 PRO 40 2HG PRO 40 5.524 -13.446 8.879 321 HD2 PRO 40 1HD PRO 40 6.986 -11.367 9.813 322 HD3 PRO 40 2HD PRO 40 6.133 -11.311 8.257 323 H GLU 41 H GLU 41 5.515 -10.404 12.049 324 HA GLU 41 HA GLU 41 3.731 -11.132 14.267 325 HB2 GLU 41 1HB GLU 41 6.737 -10.882 14.121 326 HB3 GLU 41 2HB GLU 41 5.857 -11.143 15.620 327 HG2 GLU 41 1HG GLU 41 4.865 -13.196 14.429 328 HG3 GLU 41 2HG GLU 41 6.196 -12.990 13.292 329 H ARG 42 H ARG 42 6.499 -8.912 14.100 330 HA ARG 42 HA ARG 42 4.746 -6.712 14.932 331 HB2 ARG 42 1HB ARG 42 6.442 -6.001 16.599 332 HB3 ARG 42 2HB ARG 42 5.698 -7.546 16.989 333 HG2 ARG 42 1HG ARG 42 7.721 -8.619 15.880 334 HG3 ARG 42 2HG ARG 42 8.458 -7.016 15.945 335 HD2 ARG 42 1HD ARG 42 7.443 -8.629 18.283 336 HD3 ARG 42 2HD ARG 42 9.130 -8.325 17.871 337 HE ARG 42 HE ARG 42 7.312 -6.528 19.198 338 HH11 ARG 42 1HH1 ARG 42 10.238 -6.806 17.331 339 HH12 ARG 42 2HH1 ARG 42 10.896 -5.306 17.896 340 HH21 ARG 42 1HH2 ARG 42 8.168 -4.551 19.949 341 HH22 ARG 42 2HH2 ARG 42 9.718 -4.025 19.386 342 H GLN 43 H GLN 43 5.018 -5.034 13.630 343 HA GLN 43 HA GLN 43 7.681 -4.308 12.710 344 HB2 GLN 43 1HB GLN 43 6.914 -4.106 10.354 345 HB3 GLN 43 2HB GLN 43 6.960 -5.766 10.931 346 HG2 GLN 43 1HG GLN 43 4.949 -5.794 9.890 347 HG3 GLN 43 2HG GLN 43 4.431 -5.270 11.491 348 HE21 GLN 43 2HE2 GLN 43 2.916 -3.792 11.326 349 HE22 GLN 43 1HE2 GLN 43 2.880 -2.486 10.196 350 H LYS 44 H LYS 44 7.913 -2.141 12.237 351 HA LYS 44 HA LYS 44 5.538 -0.439 12.295 352 HB2 LYS 44 1HB LYS 44 7.043 -0.814 14.580 353 HB3 LYS 44 2HB LYS 44 7.717 0.663 13.904 354 HG2 LYS 44 1HG LYS 44 4.765 0.283 14.294 355 HG3 LYS 44 2HG LYS 44 5.817 0.912 15.564 356 HD2 LYS 44 1HD LYS 44 5.958 2.156 12.863 357 HD3 LYS 44 2HD LYS 44 4.565 2.522 13.884 358 HE2 LYS 44 1HE LYS 44 6.161 3.154 15.698 359 HE3 LYS 44 2HE LYS 44 7.476 2.954 14.540 360 HZ1 LYS 44 3HZ LYS 44 6.970 5.222 14.520 361 HZ2 LYS 44 1HZ LYS 44 5.299 4.956 14.507 362 HZ3 LYS 44 2HZ LYS 44 6.219 4.618 13.129 363 H LEU 45 H LEU 45 6.966 -0.995 10.054 364 HA LEU 45 HA LEU 45 9.170 0.495 9.391 365 HB2 LEU 45 1HB LEU 45 6.784 -0.407 7.845 366 HB3 LEU 45 2HB LEU 45 7.954 0.663 7.075 367 HG LEU 45 HG LEU 45 9.625 -1.224 7.989 368 HD11 LEU 45 1HD1 LEU 45 8.575 -3.041 8.706 369 HD12 LEU 45 2HD1 LEU 45 7.946 -3.266 7.074 370 HD13 LEU 45 3HD1 LEU 45 7.005 -2.369 8.266 371 HD21 LEU 45 3HD2 LEU 45 8.100 -1.726 5.459 372 HD22 LEU 45 1HD2 LEU 45 9.821 -1.935 5.782 373 HD23 LEU 45 2HD2 LEU 45 9.143 -0.313 5.631 374 H LEU 46 H LEU 46 9.467 2.528 8.349 375 HA LEU 46 HA LEU 46 7.490 4.528 9.196 376 HB2 LEU 46 1HB LEU 46 9.482 6.101 8.691 377 HB3 LEU 46 2HB LEU 46 9.485 5.137 10.167 378 HG LEU 46 HG LEU 46 11.018 3.540 9.115 379 HD11 LEU 46 1HD1 LEU 46 10.730 3.511 6.857 380 HD12 LEU 46 2HD1 LEU 46 12.127 4.583 6.951 381 HD13 LEU 46 3HD1 LEU 46 10.510 5.258 6.748 382 HD21 LEU 46 3HD2 LEU 46 12.488 4.856 10.148 383 HD22 LEU 46 1HD2 LEU 46 11.606 6.317 9.702 384 HD23 LEU 46 2HD2 LEU 46 12.772 5.615 8.581 385 H GLY 47 H GLY 47 7.275 2.902 6.756 386 HA2 GLY 47 1HA GLY 47 6.423 4.898 4.972 387 HA3 GLY 47 2HA GLY 47 8.013 4.349 4.463 388 H LEU 48 H LEU 48 8.278 2.045 4.020 389 HA LEU 48 HA LEU 48 6.172 1.062 2.394 390 HB2 LEU 48 1HB LEU 48 8.549 0.644 1.940 391 HB3 LEU 48 2HB LEU 48 8.643 -0.350 3.392 392 HG LEU 48 HG LEU 48 6.610 -1.180 1.430 393 HD11 LEU 48 1HD1 LEU 48 8.145 -2.144 -0.125 394 HD12 LEU 48 2HD1 LEU 48 9.530 -1.593 0.817 395 HD13 LEU 48 3HD1 LEU 48 8.502 -0.420 -0.006 396 HD21 LEU 48 3HD2 LEU 48 8.798 -2.815 2.668 397 HD22 LEU 48 1HD2 LEU 48 7.192 -3.322 2.144 398 HD23 LEU 48 2HD2 LEU 48 7.375 -2.333 3.594 399 H LYS 49 H LYS 49 4.966 -0.873 2.628 400 HA LYS 49 HA LYS 49 3.627 -2.343 3.733 401 HB2 LYS 49 1HB LYS 49 6.184 -2.441 5.206 402 HB3 LYS 49 2HB LYS 49 4.787 -3.047 6.086 403 HG2 LYS 49 1HG LYS 49 5.466 -3.977 3.314 404 HG3 LYS 49 2HG LYS 49 6.131 -4.735 4.763 405 HD2 LYS 49 1HD LYS 49 3.811 -5.121 5.560 406 HD3 LYS 49 2HD LYS 49 3.216 -4.482 4.026 407 HE2 LYS 49 1HE LYS 49 4.360 -6.256 2.821 408 HE3 LYS 49 2HE LYS 49 5.035 -6.870 4.329 409 HZ1 LYS 49 3HZ LYS 49 3.170 -8.200 3.799 410 HZ2 LYS 49 1HZ LYS 49 2.188 -6.854 3.504 411 HZ3 LYS 49 2HZ LYS 49 2.691 -7.204 5.080 412 H VAL 50 H VAL 50 2.212 -0.447 4.010 413 HA VAL 50 HA VAL 50 2.155 0.746 6.661 414 HB VAL 50 HB VAL 50 0.202 2.026 5.767 415 HG11 VAL 50 1HG1 VAL 50 2.793 2.536 5.491 416 HG12 VAL 50 2HG1 VAL 50 2.372 2.410 3.781 417 HG13 VAL 50 3HG1 VAL 50 1.553 3.587 4.808 418 HG21 VAL 50 3HG2 VAL 50 -0.110 0.074 3.980 419 HG22 VAL 50 1HG2 VAL 50 -0.661 1.723 3.686 420 HG23 VAL 50 2HG2 VAL 50 0.871 1.171 3.009 421 H LYS 51 H LYS 51 0.031 0.884 7.804 422 HA LYS 51 HA LYS 51 -1.163 -1.780 7.910 423 HB2 LYS 51 1HB LYS 51 -1.970 -1.182 10.084 424 HB3 LYS 51 2HB LYS 51 -0.290 -0.671 9.982 425 HG2 LYS 51 1HG LYS 51 -1.144 1.627 9.408 426 HG3 LYS 51 2HG LYS 51 -2.754 1.044 9.838 427 HD2 LYS 51 1HD LYS 51 -1.926 0.469 12.082 428 HD3 LYS 51 2HD LYS 51 -0.335 1.098 11.645 429 HE2 LYS 51 1HE LYS 51 -1.720 2.693 12.953 430 HE3 LYS 51 2HE LYS 51 -1.220 3.312 11.379 431 HZ1 LYS 51 3HZ LYS 51 -3.328 3.314 10.609 432 HZ2 LYS 51 1HZ LYS 51 -3.708 3.454 12.251 433 HZ3 LYS 51 2HZ LYS 51 -3.790 1.946 11.490 434 H GLY 52 H GLY 52 -3.454 -2.080 8.005 435 HA2 GLY 52 1HA GLY 52 -5.650 -1.653 7.448 436 HA3 GLY 52 2HA GLY 52 -5.263 0.062 7.448 437 H LYS 53 H LYS 53 -3.137 -1.614 5.475 438 HA LYS 53 HA LYS 53 -4.599 -2.011 3.128 439 HB2 LYS 53 1HB LYS 53 -3.703 0.052 1.883 440 HB3 LYS 53 2HB LYS 53 -5.097 0.269 2.933 441 HG2 LYS 53 1HG LYS 53 -3.909 1.457 4.498 442 HG3 LYS 53 2HG LYS 53 -2.366 0.741 4.027 443 HD2 LYS 53 1HD LYS 53 -2.354 3.009 3.291 444 HD3 LYS 53 2HD LYS 53 -2.554 1.993 1.861 445 HE2 LYS 53 1HE LYS 53 -4.872 2.486 1.731 446 HE3 LYS 53 2HE LYS 53 -4.871 3.234 3.327 447 HZ1 LYS 53 3HZ LYS 53 -3.609 5.053 2.510 448 HZ2 LYS 53 1HZ LYS 53 -4.893 4.823 1.433 449 HZ3 LYS 53 2HZ LYS 53 -3.340 4.297 1.020 450 HA PRO 54 HA PRO 54 -0.171 -3.413 3.254 451 HB2 PRO 54 1HB PRO 54 -0.734 -6.015 2.721 452 HB3 PRO 54 2HB PRO 54 -0.733 -5.348 4.358 453 HG2 PRO 54 1HG PRO 54 -3.043 -5.875 2.529 454 HG3 PRO 54 2HG PRO 54 -2.896 -6.196 4.267 455 HD2 PRO 54 1HD PRO 54 -4.220 -4.046 3.289 456 HD3 PRO 54 2HD PRO 54 -3.351 -4.009 4.837 457 H ALA 55 H ALA 55 1.134 -4.011 1.503 458 HA ALA 55 HA ALA 55 0.409 -3.133 -1.015 459 HB1 ALA 55 1HB ALA 55 2.380 -4.672 -1.755 460 HB2 ALA 55 2HB ALA 55 2.688 -3.282 -0.713 461 HB3 ALA 55 3HB ALA 55 2.598 -4.901 -0.020 462 H GLU 56 H GLU 56 0.559 -4.589 -3.044 463 HA GLU 56 HA GLU 56 -1.167 -6.944 -2.637 464 HB2 GLU 56 1HB GLU 56 -2.241 -4.903 -3.722 465 HB3 GLU 56 2HB GLU 56 -1.190 -5.204 -5.099 466 HG2 GLU 56 1HG GLU 56 -2.274 -7.156 -5.672 467 HG3 GLU 56 2HG GLU 56 -2.928 -7.392 -4.053 468 H ASN 57 H ASN 57 -0.924 -8.676 -4.154 469 HA ASN 57 HA ASN 57 1.787 -9.245 -4.769 470 HB2 ASN 57 1HB ASN 57 0.787 -11.275 -5.920 471 HB3 ASN 57 2HB ASN 57 0.390 -11.089 -4.214 472 HD21 ASN 57 2HD2 ASN 57 -1.699 -10.551 -3.617 473 HD22 ASN 57 1HD2 ASN 57 -3.031 -10.669 -4.711 474 H ASP 58 H ASP 58 -0.980 -8.203 -6.682 475 HA ASP 58 HA ASP 58 0.025 -8.586 -9.242 476 HB2 ASP 58 1HB ASP 58 -2.308 -7.797 -8.523 477 HB3 ASP 58 2HB ASP 58 -1.616 -6.178 -8.476 478 H VAL 59 H VAL 59 0.890 -6.247 -6.843 479 HA VAL 59 HA VAL 59 1.990 -4.224 -8.415 480 HB VAL 59 HB VAL 59 2.936 -5.200 -5.716 481 HG11 VAL 59 1HG1 VAL 59 3.922 -2.983 -5.463 482 HG12 VAL 59 2HG1 VAL 59 4.617 -3.829 -6.847 483 HG13 VAL 59 3HG1 VAL 59 3.416 -2.562 -7.098 484 HG21 VAL 59 3HG2 VAL 59 1.346 -3.900 -4.727 485 HG22 VAL 59 1HG2 VAL 59 1.294 -2.752 -6.066 486 HG23 VAL 59 2HG2 VAL 59 0.482 -4.311 -6.208 487 H LYS 60 H LYS 60 3.895 -3.942 -9.453 488 HA LYS 60 HA LYS 60 6.038 -5.886 -9.124 489 HB2 LYS 60 1HB LYS 60 6.198 -6.114 -11.649 490 HB3 LYS 60 2HB LYS 60 4.867 -6.965 -10.874 491 HG2 LYS 60 1HG LYS 60 3.535 -6.001 -12.361 492 HG3 LYS 60 2HG LYS 60 3.804 -4.486 -11.497 493 HD2 LYS 60 1HD LYS 60 4.562 -3.742 -13.477 494 HD3 LYS 60 2HD LYS 60 6.032 -4.626 -13.058 495 HE2 LYS 60 1HE LYS 60 5.588 -5.426 -15.175 496 HE3 LYS 60 2HE LYS 60 4.809 -6.640 -14.163 497 HZ1 LYS 60 3HZ LYS 60 2.744 -5.153 -14.460 498 HZ2 LYS 60 1HZ LYS 60 3.206 -6.169 -15.731 499 HZ3 LYS 60 2HZ LYS 60 3.573 -4.520 -15.791 500 H LEU 61 H LEU 61 7.766 -5.196 -11.019 501 HA LEU 61 HA LEU 61 8.833 -2.764 -10.156 502 HB2 LEU 61 1HB LEU 61 10.347 -4.274 -11.080 503 HB3 LEU 61 2HB LEU 61 9.358 -4.529 -12.516 504 HG LEU 61 HG LEU 61 9.964 -2.285 -13.315 505 HD11 LEU 61 1HD1 LEU 61 11.706 -2.219 -10.856 506 HD12 LEU 61 2HD1 LEU 61 10.330 -1.173 -11.202 507 HD13 LEU 61 3HD1 LEU 61 11.787 -1.068 -12.190 508 HD21 LEU 61 3HD2 LEU 61 12.361 -3.971 -12.601 509 HD22 LEU 61 1HD2 LEU 61 12.258 -2.789 -13.906 510 HD23 LEU 61 2HD2 LEU 61 11.283 -4.258 -13.968 511 H GLY 62 H GLY 62 7.537 -3.467 -13.413 512 HA2 GLY 62 1HA GLY 62 7.499 -0.894 -14.397 513 HA3 GLY 62 2HA GLY 62 6.359 -2.142 -14.876 514 H ALA 63 H ALA 63 5.417 -2.282 -12.006 515 HA ALA 63 HA ALA 63 3.283 -0.402 -12.289 516 HB1 ALA 63 1HB ALA 63 3.041 -2.663 -11.270 517 HB2 ALA 63 2HB ALA 63 3.948 -2.078 -9.875 518 HB3 ALA 63 3HB ALA 63 2.392 -1.354 -10.282 519 H LEU 64 H LEU 64 5.880 -0.779 -9.873 520 HA LEU 64 HA LEU 64 5.289 1.773 -8.679 521 HB2 LEU 64 1HB LEU 64 7.721 0.053 -8.248 522 HB3 LEU 64 2HB LEU 64 7.092 1.306 -7.181 523 HG LEU 64 HG LEU 64 5.193 -0.858 -7.686 524 HD11 LEU 64 1HD1 LEU 64 7.474 -1.603 -5.917 525 HD12 LEU 64 2HD1 LEU 64 7.587 -1.905 -7.651 526 HD13 LEU 64 3HD1 LEU 64 6.281 -2.630 -6.713 527 HD21 LEU 64 3HD2 LEU 64 4.569 0.535 -5.971 528 HD22 LEU 64 1HD2 LEU 64 6.223 0.752 -5.398 529 HD23 LEU 64 2HD2 LEU 64 5.368 -0.756 -5.073 530 H LYS 65 H LYS 65 8.235 0.471 -10.219 531 HA LYS 65 HA LYS 65 9.841 1.450 -11.499 532 HB2 LYS 65 1HB LYS 65 7.866 3.683 -11.976 533 HB3 LYS 65 2HB LYS 65 9.227 3.224 -12.991 534 HG2 LYS 65 1HG LYS 65 7.644 0.927 -12.762 535 HG3 LYS 65 2HG LYS 65 6.525 2.267 -13.024 536 HD2 LYS 65 1HD LYS 65 8.977 1.820 -14.715 537 HD3 LYS 65 2HD LYS 65 7.400 1.130 -15.106 538 HE2 LYS 65 1HE LYS 65 6.438 3.381 -15.172 539 HE3 LYS 65 2HE LYS 65 8.014 4.067 -14.780 540 HZ1 LYS 65 3HZ LYS 65 7.272 2.588 -17.243 541 HZ2 LYS 65 1HZ LYS 65 8.858 3.027 -16.851 542 HZ3 LYS 65 2HZ LYS 65 7.692 4.222 -17.118 543 H LEU 66 H LEU 66 9.961 1.893 -8.765 544 HA LEU 66 HA LEU 66 10.750 4.707 -8.495 545 HB2 LEU 66 1HB LEU 66 9.604 2.730 -6.717 546 HB3 LEU 66 2HB LEU 66 11.045 3.470 -6.022 547 HG LEU 66 HG LEU 66 9.741 5.682 -6.819 548 HD11 LEU 66 1HD1 LEU 66 7.449 4.111 -5.777 549 HD12 LEU 66 2HD1 LEU 66 7.855 3.950 -7.485 550 HD13 LEU 66 3HD1 LEU 66 7.471 5.536 -6.816 551 HD21 LEU 66 3HD2 LEU 66 10.456 5.681 -4.642 552 HD22 LEU 66 1HD2 LEU 66 9.735 4.111 -4.288 553 HD23 LEU 66 2HD2 LEU 66 8.714 5.544 -4.404 554 H LYS 67 H LYS 67 12.631 4.779 -6.671 555 HA LYS 67 HA LYS 67 14.795 3.058 -7.693 556 HB2 LYS 67 1HB LYS 67 16.231 5.120 -6.906 557 HB3 LYS 67 2HB LYS 67 15.464 5.110 -8.488 558 HG2 LYS 67 1HG LYS 67 13.725 6.540 -7.754 559 HG3 LYS 67 2HG LYS 67 14.197 6.355 -6.063 560 HD2 LYS 67 1HD LYS 67 14.997 8.476 -6.756 561 HD3 LYS 67 2HD LYS 67 16.403 7.411 -6.688 562 HE2 LYS 67 1HE LYS 67 16.487 8.755 -8.697 563 HE3 LYS 67 2HE LYS 67 16.224 7.064 -9.120 564 HZ1 LYS 67 3HZ LYS 67 13.958 7.482 -9.567 565 HZ2 LYS 67 1HZ LYS 67 14.819 8.716 -10.341 566 HZ3 LYS 67 2HZ LYS 67 14.018 9.029 -8.884 567 HA PRO 68 HA PRO 68 15.734 1.799 -3.597 568 HB2 PRO 68 1HB PRO 68 18.449 1.739 -3.608 569 HB3 PRO 68 2HB PRO 68 17.458 0.557 -4.472 570 HG2 PRO 68 1HG PRO 68 18.852 2.990 -5.522 571 HG3 PRO 68 2HG PRO 68 18.748 1.368 -6.229 572 HD2 PRO 68 1HD PRO 68 17.196 3.423 -7.064 573 HD3 PRO 68 2HD PRO 68 16.639 1.737 -7.082 574 H ASN 69 H ASN 69 16.890 4.834 -4.745 575 HA ASN 69 HA ASN 69 18.292 5.821 -2.561 576 HB2 ASN 69 1HB ASN 69 17.788 6.873 -4.903 577 HB3 ASN 69 2HB ASN 69 16.405 7.589 -4.081 578 HD21 ASN 69 2HD2 ASN 69 19.816 7.011 -3.276 579 HD22 ASN 69 1HD2 ASN 69 20.142 8.628 -2.762 580 H THR 70 H THR 70 14.931 5.154 -2.901 581 HA THR 70 HA THR 70 13.730 6.884 -1.122 582 HB THR 70 HB THR 70 12.347 4.642 -0.553 583 HG1 THR 70 HG1 THR 70 13.139 4.052 -3.176 584 HG21 THR 70 3HG2 THR 70 11.375 6.565 -1.619 585 HG22 THR 70 1HG2 THR 70 10.988 5.143 -2.586 586 HG23 THR 70 2HG2 THR 70 12.262 6.246 -3.109 587 H LYS 71 H LYS 71 15.921 4.287 -0.471 588 HA LYS 71 HA LYS 71 16.607 3.276 1.478 589 HB2 LYS 71 1HB LYS 71 17.359 4.970 3.170 590 HB3 LYS 71 2HB LYS 71 17.933 5.264 1.534 591 HG2 LYS 71 1HG LYS 71 16.175 6.942 1.227 592 HG3 LYS 71 2HG LYS 71 15.630 6.659 2.882 593 HD2 LYS 71 1HD LYS 71 17.897 7.316 3.674 594 HD3 LYS 71 2HD LYS 71 18.311 7.732 2.009 595 HE2 LYS 71 1HE LYS 71 16.501 9.377 1.972 596 HE3 LYS 71 2HE LYS 71 16.079 8.954 3.631 597 HZ1 LYS 71 3HZ LYS 71 18.095 10.723 2.685 598 HZ2 LYS 71 1HZ LYS 71 18.761 9.539 3.694 599 HZ3 LYS 71 2HZ LYS 71 17.501 10.518 4.256 600 H ILE 72 H ILE 72 14.944 2.016 2.226 601 HA ILE 72 HA ILE 72 12.863 3.228 3.869 602 HB ILE 72 HB ILE 72 12.177 1.544 2.237 603 HG12 ILE 72 1HG1 ILE 72 11.240 1.786 4.723 604 HG13 ILE 72 2HG1 ILE 72 10.605 0.587 3.602 605 HG21 ILE 72 1HG2 ILE 72 12.802 -0.876 2.789 606 HG22 ILE 72 2HG2 ILE 72 14.019 0.124 1.999 607 HG23 ILE 72 3HG2 ILE 72 14.121 -0.184 3.732 608 HD11 ILE 72 3HD1 ILE 72 11.621 -1.161 4.687 609 HD12 ILE 72 1HD1 ILE 72 12.872 -0.137 5.392 610 HD13 ILE 72 2HD1 ILE 72 11.228 -0.087 6.029 611 H MET 73 H MET 73 12.501 2.720 6.026 612 HA MET 73 HA MET 73 14.710 1.328 7.391 613 HB2 MET 73 1HB MET 73 13.944 4.018 7.661 614 HB3 MET 73 2HB MET 73 13.357 3.211 9.108 615 HG2 MET 73 1HG MET 73 15.608 2.337 9.522 616 HG3 MET 73 2HG MET 73 16.187 3.182 8.087 617 HE1 MET 73 3HE MET 73 17.779 5.934 9.861 618 HE2 MET 73 1HE MET 73 17.913 4.454 8.910 619 HE3 MET 73 2HE MET 73 17.048 5.846 8.257 620 H MET 74 H MET 74 14.095 -0.429 8.455 621 HA MET 74 HA MET 74 11.255 -0.795 9.063 622 HB2 MET 74 1HB MET 74 13.565 -2.732 8.913 623 HB3 MET 74 2HB MET 74 11.963 -3.187 9.478 624 HG2 MET 74 1HG MET 74 11.091 -2.345 7.257 625 HG3 MET 74 2HG MET 74 12.773 -2.275 6.737 626 HE1 MET 74 3HE MET 74 10.157 -3.937 5.628 627 HE2 MET 74 1HE MET 74 10.188 -5.663 5.989 628 HE3 MET 74 2HE MET 74 9.651 -4.516 7.216 629 H MET 75 H MET 75 10.479 -1.063 11.100 630 HA MET 75 HA MET 75 12.428 -0.840 13.299 631 HB2 MET 75 1HB MET 75 9.583 0.139 13.433 632 HB3 MET 75 2HB MET 75 10.915 0.517 14.517 633 HG2 MET 75 1HG MET 75 11.900 1.443 12.181 634 HG3 MET 75 2HG MET 75 10.175 1.707 11.939 635 HE1 MET 75 3HE MET 75 10.993 4.032 11.524 636 HE2 MET 75 1HE MET 75 11.098 5.260 12.787 637 HE3 MET 75 2HE MET 75 12.528 4.328 12.342 638 H GLY 76 H GLY 76 12.138 -2.109 15.115 639 HA2 GLY 76 1HA GLY 76 11.334 -3.834 16.412 640 HA3 GLY 76 2HA GLY 76 9.805 -3.689 15.558 641 H THR 77 H THR 77 12.321 -4.056 13.379 642 HA THR 77 HA THR 77 11.518 -6.801 12.849 643 HB THR 77 HB THR 77 13.176 -6.439 10.863 644 HG1 THR 77 HG1 THR 77 12.553 -3.726 11.419 645 HG21 THR 77 3HG2 THR 77 11.355 -5.116 9.654 646 HG22 THR 77 1HG2 THR 77 10.491 -5.123 11.190 647 HG23 THR 77 2HG2 THR 77 10.878 -6.646 10.389 648 H ARG 78 H ARG 78 12.551 -8.364 13.905 649 HA ARG 78 HA ARG 78 15.389 -8.015 14.562 650 HB2 ARG 78 1HB ARG 78 13.428 -8.758 16.209 651 HB3 ARG 78 2HB ARG 78 13.829 -10.344 15.565 652 HG2 ARG 78 1HG ARG 78 15.880 -10.387 16.557 653 HG3 ARG 78 2HG ARG 78 16.050 -8.630 16.535 654 HD2 ARG 78 1HD ARG 78 14.134 -8.628 18.245 655 HD3 ARG 78 2HD ARG 78 14.480 -10.347 18.431 656 HE ARG 78 HE ARG 78 16.351 -9.799 19.623 657 HH11 ARG 78 1HH1 ARG 78 15.279 -7.000 17.851 658 HH12 ARG 78 2HH1 ARG 78 16.413 -5.928 18.603 659 HH21 ARG 78 1HH2 ARG 78 17.849 -8.397 20.620 660 HH22 ARG 78 2HH2 ARG 78 17.876 -6.724 20.177 661 H GLU 79 H GLU 79 16.642 -10.173 14.554 662 HA GLU 79 HA GLU 79 16.264 -11.364 11.903 663 HB2 GLU 79 1HB GLU 79 18.469 -10.267 12.703 664 HB3 GLU 79 2HB GLU 79 18.691 -11.742 13.635 665 HG2 GLU 79 1HG GLU 79 18.285 -11.654 10.655 666 HG3 GLU 79 2HG GLU 79 19.853 -11.749 11.453 667 H GLU 80 H GLU 80 15.407 -13.318 11.740 668 HA GLU 80 HA GLU 80 15.422 -15.068 14.101 669 HB2 GLU 80 1HB GLU 80 13.663 -15.214 11.646 670 HB3 GLU 80 2HB GLU 80 13.517 -16.205 13.091 671 HG2 GLU 80 1HG GLU 80 13.188 -13.215 13.027 672 HG3 GLU 80 2HG GLU 80 11.864 -14.376 12.970 673 H SER 81 H SER 81 17.360 -16.121 13.916 674 HA SER 81 HA SER 81 18.443 -17.120 11.514 675 HB2 SER 81 1HB SER 81 18.936 -17.891 14.396 676 HB3 SER 81 2HB SER 81 19.876 -18.522 13.044 677 HG SER 81 HG SER 81 21.026 -16.794 13.556 Start of MODEL 20 1 H1 MET 1 H MET 1 1.630 1.288 0.039 2 HA MET 1 HA MET 1 1.492 -1.208 -1.441 3 HB2 MET 1 1HB MET 1 2.642 1.408 -2.401 4 HB3 MET 1 2HB MET 1 2.046 0.070 -3.374 5 HG2 MET 1 1HG MET 1 -0.220 0.512 -2.641 6 HG3 MET 1 2HG MET 1 0.354 1.808 -1.594 7 HE1 MET 1 3HE MET 1 -0.577 4.548 -3.284 8 HE2 MET 1 1HE MET 1 0.288 3.811 -1.935 9 HE3 MET 1 2HE MET 1 1.186 4.591 -3.236 10 H ALA 2 H ALA 2 3.363 -2.043 -2.601 11 HA ALA 2 HA ALA 2 5.717 -2.032 -0.900 12 HB1 ALA 2 1HB ALA 2 6.253 -3.691 -3.049 13 HB2 ALA 2 2HB ALA 2 5.632 -4.182 -1.473 14 HB3 ALA 2 3HB ALA 2 4.515 -3.861 -2.799 15 H LEU 3 H LEU 3 7.154 -0.459 -1.211 16 HA LEU 3 HA LEU 3 7.627 0.540 -3.925 17 HB2 LEU 3 1HB LEU 3 8.945 1.770 -1.572 18 HB3 LEU 3 2HB LEU 3 8.289 2.525 -3.023 19 HG LEU 3 HG LEU 3 6.706 1.529 -0.654 20 HD11 LEU 3 1HD1 LEU 3 7.358 3.508 0.173 21 HD12 LEU 3 2HD1 LEU 3 6.167 4.174 -0.944 22 HD13 LEU 3 3HD1 LEU 3 7.868 4.115 -1.402 23 HD21 LEU 3 3HD2 LEU 3 5.913 1.869 -3.346 24 HD22 LEU 3 1HD2 LEU 3 5.230 3.207 -2.423 25 HD23 LEU 3 2HD2 LEU 3 4.899 1.543 -1.939 26 HA PRO 4 HA PRO 4 11.439 -1.659 -4.213 27 HB2 PRO 4 1HB PRO 4 12.587 -0.196 -6.190 28 HB3 PRO 4 2HB PRO 4 11.270 -1.338 -6.481 29 HG2 PRO 4 1HG PRO 4 11.165 1.639 -6.185 30 HG3 PRO 4 2HG PRO 4 10.325 0.600 -7.352 31 HD2 PRO 4 1HD PRO 4 9.111 1.584 -5.140 32 HD3 PRO 4 2HD PRO 4 8.691 0.007 -5.838 33 H MET 5 H MET 5 11.879 -0.674 -1.978 34 HA MET 5 HA MET 5 14.115 1.235 -2.194 35 HB2 MET 5 1HB MET 5 12.670 0.927 0.388 36 HB3 MET 5 2HB MET 5 13.444 2.347 -0.304 37 HG2 MET 5 1HG MET 5 11.591 2.606 -1.865 38 HG3 MET 5 2HG MET 5 10.818 1.174 -1.188 39 HE1 MET 5 3HE MET 5 9.106 1.314 0.810 40 HE2 MET 5 1HE MET 5 10.673 1.047 1.576 41 HE3 MET 5 2HE MET 5 9.562 2.246 2.237 42 H ILE 6 H ILE 6 15.662 1.045 -0.298 43 HA ILE 6 HA ILE 6 16.166 -1.809 0.212 44 HB ILE 6 HB ILE 6 18.150 0.467 0.257 45 HG12 ILE 6 1HG1 ILE 6 17.759 -1.704 -1.814 46 HG13 ILE 6 2HG1 ILE 6 17.265 -0.026 -2.010 47 HG21 ILE 6 1HG2 ILE 6 19.439 -1.996 -0.058 48 HG22 ILE 6 2HG2 ILE 6 19.452 -0.951 1.361 49 HG23 ILE 6 3HG2 ILE 6 18.253 -2.236 1.224 50 HD11 ILE 6 3HD1 ILE 6 19.269 -0.087 -3.131 51 HD12 ILE 6 1HD1 ILE 6 19.760 0.490 -1.538 52 HD13 ILE 6 2HD1 ILE 6 20.003 -1.201 -1.978 53 H VAL 7 H VAL 7 16.444 -2.551 2.254 54 HA VAL 7 HA VAL 7 15.901 -0.653 4.424 55 HB VAL 7 HB VAL 7 15.553 -3.624 4.171 56 HG11 VAL 7 1HG1 VAL 7 16.554 -3.558 6.275 57 HG12 VAL 7 2HG1 VAL 7 15.814 -2.009 6.684 58 HG13 VAL 7 3HG1 VAL 7 14.830 -3.472 6.634 59 HG21 VAL 7 3HG2 VAL 7 13.642 -1.551 5.218 60 HG22 VAL 7 1HG2 VAL 7 13.778 -1.944 3.504 61 HG23 VAL 7 2HG2 VAL 7 13.284 -3.184 4.657 62 H LYS 8 H LYS 8 17.338 -0.235 5.998 63 HA LYS 8 HA LYS 8 19.638 -1.979 6.389 64 HB2 LYS 8 1HB LYS 8 21.099 0.170 6.378 65 HB3 LYS 8 2HB LYS 8 20.691 -0.595 4.848 66 HG2 LYS 8 1HG LYS 8 19.169 1.064 4.279 67 HG3 LYS 8 2HG LYS 8 19.008 1.622 5.945 68 HD2 LYS 8 1HD LYS 8 21.568 1.845 4.374 69 HD3 LYS 8 2HD LYS 8 20.343 3.115 4.405 70 HE2 LYS 8 1HE LYS 8 20.542 3.126 6.899 71 HE3 LYS 8 2HE LYS 8 21.903 2.017 6.739 72 HZ1 LYS 8 3HZ LYS 8 22.947 4.043 6.821 73 HZ2 LYS 8 1HZ LYS 8 21.720 4.851 5.981 74 HZ3 LYS 8 2HZ LYS 8 22.792 3.842 5.148 75 H TRP 9 H TRP 9 18.796 -2.412 8.433 76 HA TRP 9 HA TRP 9 18.455 -0.167 10.274 77 HB2 TRP 9 1HB TRP 9 16.776 -2.073 10.107 78 HB3 TRP 9 2HB TRP 9 17.994 -3.088 10.875 79 HD1 TRP 9 HD1 TRP 9 17.682 0.494 12.088 80 HE1 TRP 9 HE1 TRP 9 16.676 0.495 14.457 81 HE3 TRP 9 HE3 TRP 9 16.368 -4.436 12.413 82 HZ2 TRP 9 HZ2 TRP 9 15.484 -1.350 16.229 83 HZ3 TRP 9 HZ3 TRP 9 15.299 -5.237 14.480 84 HH2 TRP 9 HH2 TRP 9 14.868 -3.725 16.348 85 H GLY 10 H GLY 10 21.098 -0.932 9.294 86 HA2 GLY 10 1HA GLY 10 23.213 -0.970 10.211 87 HA3 GLY 10 2HA GLY 10 22.468 -0.923 11.802 88 H GLY 11 H GLY 11 21.583 -2.979 12.636 89 HA2 GLY 11 1HA GLY 11 23.495 -5.011 12.600 90 HA3 GLY 11 2HA GLY 11 21.851 -5.188 13.195 91 H GLN 12 H GLN 12 20.258 -5.066 11.099 92 HA GLN 12 HA GLN 12 21.245 -7.188 9.312 93 HB2 GLN 12 1HB GLN 12 18.827 -7.805 9.055 94 HB3 GLN 12 2HB GLN 12 19.480 -8.056 10.668 95 HG2 GLN 12 1HG GLN 12 18.051 -5.521 9.997 96 HG3 GLN 12 2HG GLN 12 17.148 -6.984 10.389 97 HE21 GLN 12 2HE2 GLN 12 17.619 -8.005 12.455 98 HE22 GLN 12 1HE2 GLN 12 18.071 -7.014 13.796 99 H GLU 13 H GLU 13 21.188 -6.873 7.164 100 HA GLU 13 HA GLU 13 19.907 -4.402 6.194 101 HB2 GLU 13 1HB GLU 13 22.306 -4.237 5.996 102 HB3 GLU 13 2HB GLU 13 22.394 -5.808 5.214 103 HG2 GLU 13 1HG GLU 13 21.163 -4.923 3.297 104 HG3 GLU 13 2HG GLU 13 21.084 -3.346 4.081 105 H TYR 14 H TYR 14 18.299 -4.639 4.796 106 HA TYR 14 HA TYR 14 18.163 -7.111 3.202 107 HB2 TYR 14 1HB TYR 14 15.856 -5.712 4.570 108 HB3 TYR 14 2HB TYR 14 15.703 -7.079 3.472 109 HD1 TYR 14 HD2 TYR 14 18.096 -8.656 4.461 110 HD2 TYR 14 HD1 TYR 14 14.960 -6.668 6.538 111 HE1 TYR 14 HE2 TYR 14 18.372 -10.207 6.351 112 HE2 TYR 14 HE1 TYR 14 15.227 -8.212 8.433 113 HH TYR 14 HH TYR 14 17.344 -10.995 8.251 114 H SER 15 H SER 15 16.622 -6.877 1.323 115 HA SER 15 HA SER 15 16.731 -4.142 0.233 116 HB2 SER 15 1HB SER 15 17.281 -5.019 -1.945 117 HB3 SER 15 2HB SER 15 18.430 -5.685 -0.786 118 HG SER 15 HG SER 15 16.367 -6.946 -2.183 119 H VAL 16 H VAL 16 14.693 -3.443 0.229 120 HA VAL 16 HA VAL 16 12.515 -5.292 -0.383 121 HB VAL 16 HB VAL 16 12.209 -2.389 0.353 122 HG11 VAL 16 1HG1 VAL 16 10.018 -2.813 0.451 123 HG12 VAL 16 2HG1 VAL 16 10.387 -4.289 -0.443 124 HG13 VAL 16 3HG1 VAL 16 10.262 -4.330 1.316 125 HG21 VAL 16 3HG2 VAL 16 11.940 -3.159 2.698 126 HG22 VAL 16 1HG2 VAL 16 12.515 -4.751 2.203 127 HG23 VAL 16 2HG2 VAL 16 13.581 -3.352 2.083 128 H THR 17 H THR 17 14.176 -4.738 -2.548 129 HA THR 17 HA THR 17 13.165 -2.618 -4.162 130 HB THR 17 HB THR 17 15.402 -3.462 -4.564 131 HG1 THR 17 HG1 THR 17 15.012 -4.062 -6.909 132 HG21 THR 17 3HG2 THR 17 15.945 -5.630 -4.771 133 HG22 THR 17 1HG2 THR 17 14.611 -5.951 -5.878 134 HG23 THR 17 2HG2 THR 17 14.333 -5.954 -4.136 135 H THR 18 H THR 18 12.191 -3.033 -6.344 136 HA THR 18 HA THR 18 9.842 -4.694 -6.009 137 HB THR 18 HB THR 18 9.644 -2.414 -6.952 138 HG1 THR 18 HG1 THR 18 8.083 -4.009 -7.502 139 HG21 THR 18 3HG2 THR 18 11.808 -2.526 -8.232 140 HG22 THR 18 1HG2 THR 18 10.442 -1.874 -9.136 141 HG23 THR 18 2HG2 THR 18 10.975 -3.532 -9.416 142 H LEU 19 H LEU 19 12.912 -5.180 -7.183 143 HA LEU 19 HA LEU 19 13.885 -6.884 -8.334 144 HB2 LEU 19 1HB LEU 19 11.231 -8.219 -8.666 145 HB3 LEU 19 2HB LEU 19 12.824 -8.944 -8.460 146 HG LEU 19 HG LEU 19 11.329 -7.500 -6.275 147 HD11 LEU 19 1HD1 LEU 19 11.658 -10.407 -6.102 148 HD12 LEU 19 2HD1 LEU 19 10.549 -9.864 -7.362 149 HD13 LEU 19 3HD1 LEU 19 10.279 -9.389 -5.685 150 HD21 LEU 19 3HD2 LEU 19 13.119 -9.274 -5.167 151 HD22 LEU 19 1HD2 LEU 19 13.346 -7.532 -5.321 152 HD23 LEU 19 2HD2 LEU 19 14.002 -8.617 -6.546 153 H SER 20 H SER 20 13.248 -8.366 -10.479 154 HA SER 20 HA SER 20 13.144 -6.422 -12.568 155 HB2 SER 20 1HB SER 20 12.967 -9.421 -12.891 156 HB3 SER 20 2HB SER 20 13.549 -8.242 -14.066 157 HG SER 20 HG SER 20 15.124 -9.517 -12.685 158 H GLU 21 H GLU 21 11.654 -6.511 -14.400 159 HA GLU 21 HA GLU 21 8.991 -6.253 -13.647 160 HB2 GLU 21 1HB GLU 21 8.478 -6.231 -16.052 161 HB3 GLU 21 2HB GLU 21 9.875 -5.233 -15.673 162 HG2 GLU 21 1HG GLU 21 11.346 -7.073 -16.407 163 HG3 GLU 21 2HG GLU 21 9.915 -7.994 -16.870 164 H ASP 22 H ASP 22 10.701 -9.020 -15.013 165 HA ASP 22 HA ASP 22 8.474 -10.667 -15.471 166 HB2 ASP 22 1HB ASP 22 10.782 -11.078 -16.338 167 HB3 ASP 22 2HB ASP 22 11.262 -11.558 -14.713 168 H ASP 23 H ASP 23 10.051 -9.730 -12.566 169 HA ASP 23 HA ASP 23 8.792 -11.897 -11.048 170 HB2 ASP 23 1HB ASP 23 10.823 -9.813 -10.223 171 HB3 ASP 23 2HB ASP 23 10.154 -11.036 -9.147 172 H THR 24 H THR 24 8.272 -10.866 -8.658 173 HA THR 24 HA THR 24 6.749 -8.407 -8.916 174 HB THR 24 HB THR 24 4.837 -9.923 -7.696 175 HG1 THR 24 HG1 THR 24 6.310 -11.551 -9.439 176 HG21 THR 24 3HG2 THR 24 3.963 -10.015 -10.244 177 HG22 THR 24 1HG2 THR 24 5.256 -8.829 -10.407 178 HG23 THR 24 2HG2 THR 24 3.944 -8.551 -9.262 179 H VAL 25 H VAL 25 5.440 -8.150 -6.705 180 HA VAL 25 HA VAL 25 7.434 -8.057 -4.667 181 HB VAL 25 HB VAL 25 4.478 -7.452 -4.570 182 HG11 VAL 25 1HG1 VAL 25 5.287 -6.148 -2.462 183 HG12 VAL 25 2HG1 VAL 25 4.926 -7.872 -2.345 184 HG13 VAL 25 3HG1 VAL 25 6.599 -7.326 -2.470 185 HG21 VAL 25 3HG2 VAL 25 5.335 -5.092 -4.445 186 HG22 VAL 25 1HG2 VAL 25 6.932 -5.728 -4.840 187 HG23 VAL 25 2HG2 VAL 25 5.604 -5.906 -5.986 188 H LEU 26 H LEU 26 4.962 -10.301 -5.537 189 HA LEU 26 HA LEU 26 4.503 -11.545 -3.065 190 HB2 LEU 26 1HB LEU 26 3.800 -13.498 -4.414 191 HB3 LEU 26 2HB LEU 26 3.059 -11.981 -4.919 192 HG LEU 26 HG LEU 26 5.110 -12.035 -6.633 193 HD11 LEU 26 1HD1 LEU 26 5.282 -14.554 -5.436 194 HD12 LEU 26 2HD1 LEU 26 6.105 -14.000 -6.893 195 HD13 LEU 26 3HD1 LEU 26 4.554 -14.829 -7.018 196 HD21 LEU 26 3HD2 LEU 26 3.567 -12.818 -8.287 197 HD22 LEU 26 1HD2 LEU 26 2.668 -11.865 -7.106 198 HD23 LEU 26 2HD2 LEU 26 2.586 -13.626 -7.063 199 H ASP 27 H ASP 27 7.025 -11.992 -5.475 200 HA ASP 27 HA ASP 27 8.142 -14.364 -4.491 201 HB2 ASP 27 1HB ASP 27 9.197 -12.079 -6.118 202 HB3 ASP 27 2HB ASP 27 10.306 -13.319 -5.541 203 H LEU 28 H LEU 28 9.607 -11.138 -4.111 204 HA LEU 28 HA LEU 28 11.375 -11.776 -2.097 205 HB2 LEU 28 1HB LEU 28 11.631 -9.478 -1.715 206 HB3 LEU 28 2HB LEU 28 11.190 -9.624 -3.415 207 HG LEU 28 HG LEU 28 8.761 -9.188 -2.414 208 HD11 LEU 28 1HD1 LEU 28 10.466 -8.721 -0.192 209 HD12 LEU 28 2HD1 LEU 28 8.718 -8.514 -0.306 210 HD13 LEU 28 3HD1 LEU 28 9.793 -7.175 -0.709 211 HD21 LEU 28 3HD2 LEU 28 10.922 -7.392 -3.356 212 HD22 LEU 28 1HD2 LEU 28 9.487 -6.639 -2.660 213 HD23 LEU 28 2HD2 LEU 28 9.332 -7.717 -4.047 214 H LYS 29 H LYS 29 7.975 -10.897 -1.847 215 HA LYS 29 HA LYS 29 7.727 -10.442 0.861 216 HB2 LYS 29 1HB LYS 29 5.940 -11.378 -1.288 217 HB3 LYS 29 2HB LYS 29 5.429 -11.811 0.338 218 HG2 LYS 29 1HG LYS 29 6.008 -9.223 0.728 219 HG3 LYS 29 2HG LYS 29 5.548 -9.175 -0.976 220 HD2 LYS 29 1HD LYS 29 3.797 -10.688 0.886 221 HD3 LYS 29 2HD LYS 29 3.767 -8.925 0.983 222 HE2 LYS 29 1HE LYS 29 2.998 -8.700 -1.205 223 HE3 LYS 29 2HE LYS 29 3.515 -10.324 -1.655 224 HZ1 LYS 29 3HZ LYS 29 1.647 -11.245 -0.828 225 HZ2 LYS 29 1HZ LYS 29 1.002 -9.706 -1.105 226 HZ3 LYS 29 2HZ LYS 29 1.513 -10.142 0.447 227 H GLN 30 H GLN 30 7.353 -13.583 -0.790 228 HA GLN 30 HA GLN 30 7.043 -15.124 1.524 229 HB2 GLN 30 1HB GLN 30 8.134 -15.867 -1.192 230 HB3 GLN 30 2HB GLN 30 7.772 -17.037 0.070 231 HG2 GLN 30 1HG GLN 30 5.440 -16.428 0.024 232 HG3 GLN 30 2HG GLN 30 5.767 -15.152 -1.147 233 HE21 GLN 30 2HE2 GLN 30 3.900 -17.137 -1.605 234 HE22 GLN 30 1HE2 GLN 30 4.450 -18.145 -2.896 235 H PHE 31 H PHE 31 9.910 -13.961 -0.115 236 HA PHE 31 HA PHE 31 11.771 -15.613 1.256 237 HB2 PHE 31 1HB PHE 31 11.927 -13.926 -0.883 238 HB3 PHE 31 2HB PHE 31 12.727 -12.973 0.363 239 HD1 PHE 31 HD2 PHE 31 12.716 -16.432 -1.029 240 HD2 PHE 31 HD1 PHE 31 14.981 -13.264 0.689 241 HE1 PHE 31 HE2 PHE 31 14.780 -17.727 -1.370 242 HE2 PHE 31 HE1 PHE 31 17.049 -14.554 0.349 243 HZ PHE 31 HZ PHE 31 16.950 -16.789 -0.681 244 H LEU 32 H LEU 32 10.382 -12.445 1.888 245 HA LEU 32 HA LEU 32 12.105 -11.795 4.060 246 HB2 LEU 32 1HB LEU 32 9.390 -10.754 3.273 247 HB3 LEU 32 2HB LEU 32 10.365 -10.081 4.578 248 HG LEU 32 HG LEU 32 10.998 -10.063 1.631 249 HD11 LEU 32 1HD1 LEU 32 10.748 -7.709 3.468 250 HD12 LEU 32 2HD1 LEU 32 9.337 -8.412 2.679 251 HD13 LEU 32 3HD1 LEU 32 10.656 -7.761 1.707 252 HD21 LEU 32 3HD2 LEU 32 13.093 -10.378 2.597 253 HD22 LEU 32 1HD2 LEU 32 12.686 -9.424 4.024 254 HD23 LEU 32 2HD2 LEU 32 12.957 -8.623 2.475 255 H LYS 33 H LYS 33 9.081 -13.521 3.753 256 HA LYS 33 HA LYS 33 8.459 -13.542 6.540 257 HB2 LYS 33 1HB LYS 33 7.504 -15.417 4.368 258 HB3 LYS 33 2HB LYS 33 6.769 -15.198 5.951 259 HG2 LYS 33 1HG LYS 33 5.788 -13.231 5.380 260 HG3 LYS 33 2HG LYS 33 7.064 -12.796 4.241 261 HD2 LYS 33 1HD LYS 33 5.994 -13.744 2.515 262 HD3 LYS 33 2HD LYS 33 5.570 -15.178 3.454 263 HE2 LYS 33 1HE LYS 33 3.631 -14.179 4.310 264 HE3 LYS 33 2HE LYS 33 4.162 -12.559 3.862 265 HZ1 LYS 33 3HZ LYS 33 2.886 -12.835 2.076 266 HZ2 LYS 33 1HZ LYS 33 2.736 -14.504 2.313 267 HZ3 LYS 33 2HZ LYS 33 4.079 -13.884 1.493 268 H THR 34 H THR 34 10.294 -15.605 4.388 269 HA THR 34 HA THR 34 10.625 -17.659 6.417 270 HB THR 34 HB THR 34 11.918 -18.873 4.749 271 HG1 THR 34 HG1 THR 34 11.902 -17.745 2.560 272 HG21 THR 34 3HG2 THR 34 9.596 -19.249 4.545 273 HG22 THR 34 1HG2 THR 34 10.163 -18.944 2.904 274 HG23 THR 34 2HG2 THR 34 9.326 -17.675 3.798 275 H LEU 35 H LEU 35 12.353 -14.948 5.093 276 HA LEU 35 HA LEU 35 14.881 -15.719 6.272 277 HB2 LEU 35 1HB LEU 35 14.629 -14.438 4.115 278 HB3 LEU 35 2HB LEU 35 14.132 -13.055 5.088 279 HG LEU 35 HG LEU 35 16.755 -14.354 5.662 280 HD11 LEU 35 1HD1 LEU 35 17.609 -12.508 3.991 281 HD12 LEU 35 2HD1 LEU 35 16.053 -12.811 3.219 282 HD13 LEU 35 3HD1 LEU 35 17.202 -14.131 3.434 283 HD21 LEU 35 3HD2 LEU 35 15.681 -11.541 5.800 284 HD22 LEU 35 1HD2 LEU 35 17.343 -11.997 6.175 285 HD23 LEU 35 2HD2 LEU 35 16.015 -12.622 7.153 286 H THR 36 H THR 36 12.427 -13.205 6.802 287 HA THR 36 HA THR 36 13.646 -12.659 9.425 288 HB THR 36 HB THR 36 12.942 -10.478 9.326 289 HG1 THR 36 HG1 THR 36 11.076 -9.815 8.300 290 HG21 THR 36 3HG2 THR 36 13.449 -9.566 7.184 291 HG22 THR 36 1HG2 THR 36 12.980 -11.057 6.367 292 HG23 THR 36 2HG2 THR 36 14.434 -11.018 7.365 293 H GLY 37 H GLY 37 10.571 -13.276 7.782 294 HA2 GLY 37 1HA GLY 37 8.517 -13.925 8.587 295 HA3 GLY 37 2HA GLY 37 9.456 -14.867 9.736 296 H VAL 38 H VAL 38 9.650 -11.388 9.653 297 HA VAL 38 HA VAL 38 8.171 -11.300 12.203 298 HB VAL 38 HB VAL 38 10.433 -9.501 11.324 299 HG11 VAL 38 1HG1 VAL 38 10.186 -9.093 13.972 300 HG12 VAL 38 2HG1 VAL 38 9.381 -8.103 12.753 301 HG13 VAL 38 3HG1 VAL 38 8.503 -9.408 13.551 302 HG21 VAL 38 3HG2 VAL 38 11.708 -11.226 11.974 303 HG22 VAL 38 1HG2 VAL 38 11.240 -10.765 13.611 304 HG23 VAL 38 2HG2 VAL 38 10.362 -12.042 12.769 305 H LEU 39 H LEU 39 8.556 -9.959 9.036 306 HA LEU 39 HA LEU 39 7.221 -7.513 9.370 307 HB2 LEU 39 1HB LEU 39 7.004 -9.126 6.860 308 HB3 LEU 39 2HB LEU 39 7.138 -7.379 7.050 309 HG LEU 39 HG LEU 39 9.315 -9.444 7.265 310 HD11 LEU 39 1HD1 LEU 39 8.800 -7.080 5.479 311 HD12 LEU 39 2HD1 LEU 39 8.927 -8.779 5.025 312 HD13 LEU 39 3HD1 LEU 39 10.357 -7.904 5.572 313 HD21 LEU 39 3HD2 LEU 39 10.594 -7.085 7.597 314 HD22 LEU 39 1HD2 LEU 39 10.137 -8.159 8.919 315 HD23 LEU 39 2HD2 LEU 39 9.111 -6.785 8.506 316 HA PRO 40 HA PRO 40 3.228 -9.957 8.089 317 HB2 PRO 40 1HB PRO 40 3.318 -12.650 8.421 318 HB3 PRO 40 2HB PRO 40 3.773 -11.852 6.910 319 HG2 PRO 40 1HG PRO 40 5.522 -12.878 9.113 320 HG3 PRO 40 2HG PRO 40 5.732 -13.021 7.358 321 HD2 PRO 40 1HD PRO 40 7.064 -11.188 8.840 322 HD3 PRO 40 2HD PRO 40 6.580 -10.887 7.158 323 H GLU 41 H GLU 41 5.187 -10.351 10.817 324 HA GLU 41 HA GLU 41 2.921 -11.182 12.493 325 HB2 GLU 41 1HB GLU 41 5.885 -11.126 13.080 326 HB3 GLU 41 2HB GLU 41 4.649 -11.576 14.246 327 HG2 GLU 41 1HG GLU 41 4.869 -13.004 11.629 328 HG3 GLU 41 2HG GLU 41 5.916 -13.425 12.983 329 H ARG 42 H ARG 42 5.775 -9.155 13.126 330 HA ARG 42 HA ARG 42 4.099 -6.853 13.680 331 HB2 ARG 42 1HB ARG 42 5.085 -6.567 15.964 332 HB3 ARG 42 2HB ARG 42 3.980 -7.928 15.816 333 HG2 ARG 42 1HG ARG 42 6.063 -9.355 15.447 334 HG3 ARG 42 2HG ARG 42 6.968 -7.961 16.041 335 HD2 ARG 42 1HD ARG 42 4.683 -9.197 17.559 336 HD3 ARG 42 2HD ARG 42 6.355 -9.720 17.757 337 HE ARG 42 HE ARG 42 5.159 -7.323 18.784 338 HH11 ARG 42 1HH1 ARG 42 8.138 -8.813 17.771 339 HH12 ARG 42 2HH1 ARG 42 9.136 -7.779 18.739 340 HH21 ARG 42 1HH2 ARG 42 6.463 -5.956 20.062 341 HH22 ARG 42 2HH2 ARG 42 8.182 -6.155 20.042 342 H GLN 43 H GLN 43 5.096 -5.301 12.585 343 HA GLN 43 HA GLN 43 7.959 -4.890 13.009 344 HB2 GLN 43 1HB GLN 43 8.535 -4.829 10.750 345 HB3 GLN 43 2HB GLN 43 7.457 -6.215 10.850 346 HG2 GLN 43 1HG GLN 43 6.901 -3.491 9.731 347 HG3 GLN 43 2HG GLN 43 6.810 -5.056 8.924 348 HE21 GLN 43 2HE2 GLN 43 4.963 -2.654 9.935 349 HE22 GLN 43 1HE2 GLN 43 3.524 -3.502 10.378 350 H LYS 44 H LYS 44 8.644 -2.739 11.989 351 HA LYS 44 HA LYS 44 6.518 -0.768 11.809 352 HB2 LYS 44 1HB LYS 44 8.316 -1.045 14.141 353 HB3 LYS 44 2HB LYS 44 8.120 0.588 13.517 354 HG2 LYS 44 1HG LYS 44 5.594 -0.830 13.790 355 HG3 LYS 44 2HG LYS 44 6.468 -0.665 15.314 356 HD2 LYS 44 1HD LYS 44 4.982 1.229 14.980 357 HD3 LYS 44 2HD LYS 44 6.666 1.754 14.921 358 HE2 LYS 44 1HE LYS 44 5.345 2.811 13.161 359 HE3 LYS 44 2HE LYS 44 6.588 1.760 12.484 360 HZ1 LYS 44 3HZ LYS 44 5.016 0.681 11.390 361 HZ2 LYS 44 1HZ LYS 44 3.820 1.671 12.062 362 HZ3 LYS 44 2HZ LYS 44 4.271 0.241 12.844 363 H LEU 45 H LEU 45 7.104 -0.130 9.797 364 HA LEU 45 HA LEU 45 9.900 0.607 9.315 365 HB2 LEU 45 1HB LEU 45 7.751 0.616 7.233 366 HB3 LEU 45 2HB LEU 45 9.490 0.407 7.033 367 HG LEU 45 HG LEU 45 7.474 -1.607 7.998 368 HD11 LEU 45 1HD1 LEU 45 9.503 -1.754 5.778 369 HD12 LEU 45 2HD1 LEU 45 7.825 -1.265 5.550 370 HD13 LEU 45 3HD1 LEU 45 8.199 -2.891 6.123 371 HD21 LEU 45 3HD2 LEU 45 9.077 -2.324 9.396 372 HD22 LEU 45 1HD2 LEU 45 10.340 -1.395 8.588 373 HD23 LEU 45 2HD2 LEU 45 9.833 -2.952 7.932 374 H LEU 46 H LEU 46 10.203 2.580 7.890 375 HA LEU 46 HA LEU 46 9.249 4.855 9.230 376 HB2 LEU 46 1HB LEU 46 10.793 5.927 8.033 377 HB3 LEU 46 2HB LEU 46 11.247 4.329 7.444 378 HG LEU 46 HG LEU 46 9.322 6.179 6.039 379 HD11 LEU 46 1HD1 LEU 46 12.268 5.963 5.978 380 HD12 LEU 46 2HD1 LEU 46 11.221 7.342 5.647 381 HD13 LEU 46 3HD1 LEU 46 11.450 6.095 4.422 382 HD21 LEU 46 3HD2 LEU 46 9.892 3.417 5.750 383 HD22 LEU 46 1HD2 LEU 46 10.570 4.259 4.356 384 HD23 LEU 46 2HD2 LEU 46 8.859 4.437 4.748 385 H GLY 47 H GLY 47 7.828 2.945 6.791 386 HA2 GLY 47 1HA GLY 47 5.387 4.310 6.830 387 HA3 GLY 47 2HA GLY 47 6.286 4.875 5.430 388 H LEU 48 H LEU 48 7.601 2.304 4.994 389 HA LEU 48 HA LEU 48 5.699 1.145 3.260 390 HB2 LEU 48 1HB LEU 48 8.020 0.976 2.741 391 HB3 LEU 48 2HB LEU 48 8.361 0.174 4.273 392 HG LEU 48 HG LEU 48 6.979 -1.760 3.448 393 HD11 LEU 48 1HD1 LEU 48 5.710 -1.361 1.661 394 HD12 LEU 48 2HD1 LEU 48 7.191 -1.508 0.716 395 HD13 LEU 48 3HD1 LEU 48 6.626 0.082 1.227 396 HD21 LEU 48 3HD2 LEU 48 9.555 -1.422 3.302 397 HD22 LEU 48 1HD2 LEU 48 9.254 -1.283 1.570 398 HD23 LEU 48 2HD2 LEU 48 8.796 -2.754 2.430 399 H LYS 49 H LYS 49 4.721 -0.922 3.332 400 HA LYS 49 HA LYS 49 3.502 -2.582 4.296 401 HB2 LYS 49 1HB LYS 49 5.970 -2.509 5.982 402 HB3 LYS 49 2HB LYS 49 4.623 -3.519 6.491 403 HG2 LYS 49 1HG LYS 49 5.863 -3.690 3.758 404 HG3 LYS 49 2HG LYS 49 6.395 -4.664 5.131 405 HD2 LYS 49 1HD LYS 49 4.320 -5.777 5.273 406 HD3 LYS 49 2HD LYS 49 3.528 -4.601 4.222 407 HE2 LYS 49 1HE LYS 49 5.697 -6.524 3.383 408 HE3 LYS 49 2HE LYS 49 3.973 -6.729 3.073 409 HZ1 LYS 49 3HZ LYS 49 4.755 -5.803 1.124 410 HZ2 LYS 49 1HZ LYS 49 5.840 -4.769 1.907 411 HZ3 LYS 49 2HZ LYS 49 4.182 -4.442 1.949 412 H VAL 50 H VAL 50 2.076 -0.593 4.699 413 HA VAL 50 HA VAL 50 1.829 0.244 7.450 414 HB VAL 50 HB VAL 50 -0.205 1.457 6.624 415 HG11 VAL 50 1HG1 VAL 50 1.115 3.185 6.103 416 HG12 VAL 50 2HG1 VAL 50 2.457 2.061 6.332 417 HG13 VAL 50 3HG1 VAL 50 1.812 2.348 4.716 418 HG21 VAL 50 3HG2 VAL 50 -0.972 1.310 4.486 419 HG22 VAL 50 1HG2 VAL 50 0.619 0.935 3.824 420 HG23 VAL 50 2HG2 VAL 50 -0.314 -0.318 4.642 421 H LYS 51 H LYS 51 0.261 -0.325 8.902 422 HA LYS 51 HA LYS 51 -0.940 -2.897 8.576 423 HB2 LYS 51 1HB LYS 51 -1.521 -2.757 10.823 424 HB3 LYS 51 2HB LYS 51 -0.083 -1.749 10.741 425 HG2 LYS 51 1HG LYS 51 -2.920 -0.741 10.697 426 HG3 LYS 51 2HG LYS 51 -1.850 -0.741 12.101 427 HD2 LYS 51 1HD LYS 51 -0.261 0.674 10.791 428 HD3 LYS 51 2HD LYS 51 -1.484 0.782 9.523 429 HE2 LYS 51 1HE LYS 51 -3.000 1.908 10.982 430 HE3 LYS 51 2HE LYS 51 -1.970 1.603 12.380 431 HZ1 LYS 51 3HZ LYS 51 -0.605 3.003 10.288 432 HZ2 LYS 51 1HZ LYS 51 -0.741 3.385 11.930 433 HZ3 LYS 51 2HZ LYS 51 -1.956 3.851 10.850 434 H GLY 52 H GLY 52 -3.198 -3.393 8.691 435 HA2 GLY 52 1HA GLY 52 -5.453 -3.044 8.311 436 HA3 GLY 52 2HA GLY 52 -5.158 -1.313 8.378 437 H LYS 53 H LYS 53 -2.977 -2.548 6.246 438 HA LYS 53 HA LYS 53 -4.443 -3.083 3.932 439 HB2 LYS 53 1HB LYS 53 -4.028 -0.848 2.764 440 HB3 LYS 53 2HB LYS 53 -5.353 -0.912 3.920 441 HG2 LYS 53 1HG LYS 53 -3.996 0.178 5.594 442 HG3 LYS 53 2HG LYS 53 -2.601 0.158 4.513 443 HD2 LYS 53 1HD LYS 53 -3.447 1.820 3.170 444 HD3 LYS 53 2HD LYS 53 -5.122 1.443 3.578 445 HE2 LYS 53 1HE LYS 53 -4.671 3.497 4.631 446 HE3 LYS 53 2HE LYS 53 -4.586 2.289 5.912 447 HZ1 LYS 53 3HZ LYS 53 -2.756 3.848 6.063 448 HZ2 LYS 53 1HZ LYS 53 -2.263 3.473 4.488 449 HZ3 LYS 53 2HZ LYS 53 -2.174 2.301 5.704 450 HA PRO 54 HA PRO 54 0.185 -3.606 3.851 451 HB2 PRO 54 1HB PRO 54 0.120 -6.265 3.307 452 HB3 PRO 54 2HB PRO 54 0.076 -5.620 4.952 453 HG2 PRO 54 1HG PRO 54 -2.179 -6.585 3.235 454 HG3 PRO 54 2HG PRO 54 -1.879 -6.879 4.958 455 HD2 PRO 54 1HD PRO 54 -3.652 -5.028 4.082 456 HD3 PRO 54 2HD PRO 54 -2.726 -4.828 5.583 457 H ALA 55 H ALA 55 1.488 -3.929 2.026 458 HA ALA 55 HA ALA 55 0.509 -3.174 -0.432 459 HB1 ALA 55 1HB ALA 55 2.618 -3.886 -1.374 460 HB2 ALA 55 2HB ALA 55 2.891 -3.147 0.205 461 HB3 ALA 55 3HB ALA 55 2.936 -4.902 0.033 462 H GLU 56 H GLU 56 0.291 -4.346 -2.446 463 HA GLU 56 HA GLU 56 -0.902 -6.995 -2.020 464 HB2 GLU 56 1HB GLU 56 -2.207 -5.041 -3.071 465 HB3 GLU 56 2HB GLU 56 -1.214 -5.314 -4.496 466 HG2 GLU 56 1HG GLU 56 -2.196 -7.328 -4.969 467 HG3 GLU 56 2HG GLU 56 -2.664 -7.616 -3.294 468 H ASN 57 H ASN 57 -0.556 -8.656 -3.627 469 HA ASN 57 HA ASN 57 2.191 -8.929 -4.312 470 HB2 ASN 57 1HB ASN 57 1.384 -11.037 -5.468 471 HB3 ASN 57 2HB ASN 57 1.009 -10.919 -3.751 472 HD21 ASN 57 2HD2 ASN 57 -0.245 -11.035 -6.951 473 HD22 ASN 57 1HD2 ASN 57 -1.918 -11.115 -6.526 474 H ASP 58 H ASP 58 -0.667 -7.924 -6.039 475 HA ASP 58 HA ASP 58 0.132 -8.258 -8.673 476 HB2 ASP 58 1HB ASP 58 -1.570 -6.125 -7.384 477 HB3 ASP 58 2HB ASP 58 -1.345 -6.239 -9.127 478 H VAL 59 H VAL 59 1.223 -5.983 -6.297 479 HA VAL 59 HA VAL 59 2.255 -3.948 -7.882 480 HB VAL 59 HB VAL 59 3.459 -5.052 -5.339 481 HG11 VAL 59 1HG1 VAL 59 4.061 -2.708 -7.031 482 HG12 VAL 59 2HG1 VAL 59 4.022 -2.429 -5.289 483 HG13 VAL 59 3HG1 VAL 59 5.112 -3.640 -5.966 484 HG21 VAL 59 3HG2 VAL 59 1.941 -2.600 -5.100 485 HG22 VAL 59 1HG2 VAL 59 0.951 -3.921 -5.721 486 HG23 VAL 59 2HG2 VAL 59 1.804 -4.103 -4.188 487 H LYS 60 H LYS 60 4.112 -3.639 -9.019 488 HA LYS 60 HA LYS 60 6.274 -5.543 -8.939 489 HB2 LYS 60 1HB LYS 60 6.105 -5.928 -11.462 490 HB3 LYS 60 2HB LYS 60 4.983 -6.814 -10.438 491 HG2 LYS 60 1HG LYS 60 3.229 -5.912 -11.449 492 HG3 LYS 60 2HG LYS 60 3.867 -4.280 -11.241 493 HD2 LYS 60 1HD LYS 60 3.735 -4.511 -13.554 494 HD3 LYS 60 2HD LYS 60 5.427 -4.880 -13.208 495 HE2 LYS 60 1HE LYS 60 4.832 -6.590 -14.648 496 HE3 LYS 60 2HE LYS 60 4.600 -7.333 -13.066 497 HZ1 LYS 60 3HZ LYS 60 2.685 -6.803 -15.116 498 HZ2 LYS 60 1HZ LYS 60 2.199 -6.158 -13.629 499 HZ3 LYS 60 2HZ LYS 60 2.558 -7.806 -13.760 500 H LEU 61 H LEU 61 7.898 -4.951 -10.788 501 HA LEU 61 HA LEU 61 8.753 -2.330 -10.363 502 HB2 LEU 61 1HB LEU 61 10.150 -4.255 -11.125 503 HB3 LEU 61 2HB LEU 61 9.441 -4.066 -12.727 504 HG LEU 61 HG LEU 61 10.876 -1.777 -11.438 505 HD11 LEU 61 1HD1 LEU 61 12.643 -3.199 -11.259 506 HD12 LEU 61 2HD1 LEU 61 12.823 -2.738 -12.951 507 HD13 LEU 61 3HD1 LEU 61 12.056 -4.270 -12.532 508 HD21 LEU 61 3HD2 LEU 61 11.414 -1.399 -13.900 509 HD22 LEU 61 1HD2 LEU 61 9.741 -1.156 -13.395 510 HD23 LEU 61 2HD2 LEU 61 10.203 -2.637 -14.236 511 H GLY 62 H GLY 62 7.061 -3.744 -13.152 512 HA2 GLY 62 1HA GLY 62 6.982 -1.370 -14.686 513 HA3 GLY 62 2HA GLY 62 5.933 -2.765 -14.897 514 H ALA 63 H ALA 63 5.328 -2.202 -11.855 515 HA ALA 63 HA ALA 63 3.103 -0.383 -12.453 516 HB1 ALA 63 1HB ALA 63 1.932 -1.356 -10.636 517 HB2 ALA 63 2HB ALA 63 2.654 -2.686 -11.542 518 HB3 ALA 63 3HB ALA 63 3.388 -2.148 -10.032 519 H LEU 64 H LEU 64 6.089 -0.490 -10.865 520 HA LEU 64 HA LEU 64 5.370 1.832 -9.201 521 HB2 LEU 64 1HB LEU 64 7.739 0.013 -8.830 522 HB3 LEU 64 2HB LEU 64 7.167 1.264 -7.729 523 HG LEU 64 HG LEU 64 5.283 -0.939 -8.333 524 HD11 LEU 64 1HD1 LEU 64 7.912 -1.580 -7.662 525 HD12 LEU 64 2HD1 LEU 64 6.497 -2.627 -7.562 526 HD13 LEU 64 3HD1 LEU 64 7.005 -1.695 -6.154 527 HD21 LEU 64 3HD2 LEU 64 4.885 1.020 -6.782 528 HD22 LEU 64 1HD2 LEU 64 6.076 0.290 -5.705 529 HD23 LEU 64 2HD2 LEU 64 4.595 -0.582 -6.102 530 H LYS 65 H LYS 65 8.341 0.498 -10.657 531 HA LYS 65 HA LYS 65 9.998 1.457 -11.885 532 HB2 LYS 65 1HB LYS 65 7.987 3.620 -12.521 533 HB3 LYS 65 2HB LYS 65 9.433 3.217 -13.438 534 HG2 LYS 65 1HG LYS 65 8.504 1.277 -14.297 535 HG3 LYS 65 2HG LYS 65 7.286 1.178 -13.023 536 HD2 LYS 65 1HD LYS 65 6.067 1.890 -14.873 537 HD3 LYS 65 2HD LYS 65 6.400 3.392 -14.009 538 HE2 LYS 65 1HE LYS 65 8.086 4.012 -15.528 539 HE3 LYS 65 2HE LYS 65 8.183 2.389 -16.209 540 HZ1 LYS 65 3HZ LYS 65 6.263 4.519 -16.750 541 HZ2 LYS 65 1HZ LYS 65 5.674 2.933 -16.768 542 HZ3 LYS 65 2HZ LYS 65 6.938 3.377 -17.801 543 H LEU 66 H LEU 66 9.711 2.100 -9.090 544 HA LEU 66 HA LEU 66 10.468 4.896 -8.857 545 HB2 LEU 66 1HB LEU 66 9.436 2.852 -7.106 546 HB3 LEU 66 2HB LEU 66 10.849 3.629 -6.396 547 HG LEU 66 HG LEU 66 8.895 5.516 -7.478 548 HD11 LEU 66 1HD1 LEU 66 7.637 3.419 -6.432 549 HD12 LEU 66 2HD1 LEU 66 7.075 5.073 -6.199 550 HD13 LEU 66 3HD1 LEU 66 8.014 4.276 -4.938 551 HD21 LEU 66 3HD2 LEU 66 10.912 5.976 -6.021 552 HD22 LEU 66 1HD2 LEU 66 9.997 5.263 -4.692 553 HD23 LEU 66 2HD2 LEU 66 9.393 6.708 -5.502 554 H LYS 67 H LYS 67 12.328 5.075 -7.002 555 HA LYS 67 HA LYS 67 14.622 3.545 -8.044 556 HB2 LYS 67 1HB LYS 67 16.014 5.470 -7.820 557 HB3 LYS 67 2HB LYS 67 14.572 5.977 -8.690 558 HG2 LYS 67 1HG LYS 67 13.678 6.746 -6.435 559 HG3 LYS 67 2HG LYS 67 15.328 6.541 -5.843 560 HD2 LYS 67 1HD LYS 67 14.513 8.284 -8.169 561 HD3 LYS 67 2HD LYS 67 14.857 8.859 -6.536 562 HE2 LYS 67 1HE LYS 67 16.973 9.092 -7.196 563 HE3 LYS 67 2HE LYS 67 17.072 7.332 -7.185 564 HZ1 LYS 67 3HZ LYS 67 15.969 8.584 -9.578 565 HZ2 LYS 67 1HZ LYS 67 16.955 7.218 -9.427 566 HZ3 LYS 67 2HZ LYS 67 17.631 8.764 -9.319 567 HA PRO 68 HA PRO 68 15.528 2.246 -3.950 568 HB2 PRO 68 1HB PRO 68 18.240 2.127 -4.019 569 HB3 PRO 68 2HB PRO 68 17.206 0.962 -4.854 570 HG2 PRO 68 1HG PRO 68 18.628 3.358 -5.949 571 HG3 PRO 68 2HG PRO 68 18.474 1.734 -6.644 572 HD2 PRO 68 1HD PRO 68 16.948 3.817 -7.459 573 HD3 PRO 68 2HD PRO 68 16.356 2.144 -7.454 574 H ASN 69 H ASN 69 16.611 5.273 -5.124 575 HA ASN 69 HA ASN 69 18.147 6.268 -3.043 576 HB2 ASN 69 1HB ASN 69 17.615 7.384 -5.264 577 HB3 ASN 69 2HB ASN 69 16.092 7.895 -4.542 578 HD21 ASN 69 2HD2 ASN 69 19.451 7.745 -3.402 579 HD22 ASN 69 1HD2 ASN 69 19.530 9.395 -2.895 580 H THR 70 H THR 70 14.782 5.540 -3.129 581 HA THR 70 HA THR 70 13.684 7.219 -1.245 582 HB THR 70 HB THR 70 12.398 4.956 -0.580 583 HG1 THR 70 HG1 THR 70 13.054 4.359 -3.245 584 HG21 THR 70 3HG2 THR 70 12.093 6.483 -3.167 585 HG22 THR 70 1HG2 THR 70 11.345 6.874 -1.619 586 HG23 THR 70 2HG2 THR 70 10.874 5.409 -2.481 587 H LYS 71 H LYS 71 15.928 4.608 -0.779 588 HA LYS 71 HA LYS 71 16.741 3.588 1.123 589 HB2 LYS 71 1HB LYS 71 17.762 5.267 2.666 590 HB3 LYS 71 2HB LYS 71 18.142 5.533 0.970 591 HG2 LYS 71 1HG LYS 71 16.265 7.214 0.933 592 HG3 LYS 71 2HG LYS 71 16.212 7.061 2.691 593 HD2 LYS 71 1HD LYS 71 18.707 7.774 1.160 594 HD3 LYS 71 2HD LYS 71 17.591 8.976 1.814 595 HE2 LYS 71 1HE LYS 71 18.808 6.833 3.531 596 HE3 LYS 71 2HE LYS 71 19.634 8.360 3.224 597 HZ1 LYS 71 3HZ LYS 71 18.165 9.515 4.480 598 HZ2 LYS 71 1HZ LYS 71 18.018 8.024 5.267 599 HZ3 LYS 71 2HZ LYS 71 16.861 8.496 4.127 600 H ILE 72 H ILE 72 15.042 2.448 2.015 601 HA ILE 72 HA ILE 72 13.260 3.810 3.881 602 HB ILE 72 HB ILE 72 12.268 2.212 2.308 603 HG12 ILE 72 1HG1 ILE 72 11.639 2.509 4.906 604 HG13 ILE 72 2HG1 ILE 72 10.737 1.459 3.819 605 HG21 ILE 72 1HG2 ILE 72 14.155 0.289 3.632 606 HG22 ILE 72 2HG2 ILE 72 12.706 -0.254 2.786 607 HG23 ILE 72 3HG2 ILE 72 13.956 0.633 1.913 608 HD11 ILE 72 3HD1 ILE 72 11.763 -0.470 4.663 609 HD12 ILE 72 1HD1 ILE 72 13.033 0.455 5.464 610 HD13 ILE 72 2HD1 ILE 72 11.380 0.512 6.077 611 H MET 73 H MET 73 13.094 3.298 6.061 612 HA MET 73 HA MET 73 15.412 1.861 7.169 613 HB2 MET 73 1HB MET 73 13.716 3.915 8.589 614 HB3 MET 73 2HB MET 73 15.252 3.245 9.122 615 HG2 MET 73 1HG MET 73 14.847 4.996 6.708 616 HG3 MET 73 2HG MET 73 15.486 5.517 8.265 617 HE1 MET 73 3HE MET 73 18.366 6.192 7.411 618 HE2 MET 73 1HE MET 73 18.339 5.734 5.708 619 HE3 MET 73 2HE MET 73 16.937 6.522 6.432 620 H MET 74 H MET 74 15.117 0.244 8.634 621 HA MET 74 HA MET 74 12.332 -0.577 9.111 622 HB2 MET 74 1HB MET 74 13.878 -2.114 7.813 623 HB3 MET 74 2HB MET 74 14.780 -2.329 9.307 624 HG2 MET 74 1HG MET 74 12.929 -3.354 10.378 625 HG3 MET 74 2HG MET 74 11.846 -2.916 9.059 626 HE1 MET 74 3HE MET 74 12.143 -3.738 6.646 627 HE2 MET 74 1HE MET 74 12.345 -5.471 6.388 628 HE3 MET 74 2HE MET 74 11.071 -4.881 7.455 629 H MET 75 H MET 75 11.591 -0.886 11.147 630 HA MET 75 HA MET 75 13.499 -0.783 13.369 631 HB2 MET 75 1HB MET 75 12.774 1.488 13.202 632 HB3 MET 75 2HB MET 75 11.094 1.003 13.013 633 HG2 MET 75 1HG MET 75 11.431 1.863 15.224 634 HG3 MET 75 2HG MET 75 11.113 0.132 15.314 635 HE1 MET 75 3HE MET 75 12.488 1.243 18.066 636 HE2 MET 75 1HE MET 75 11.806 -0.276 17.482 637 HE3 MET 75 2HE MET 75 13.444 -0.238 18.134 638 H GLY 76 H GLY 76 12.975 -2.050 15.090 639 HA2 GLY 76 1HA GLY 76 11.883 -3.659 16.309 640 HA3 GLY 76 2HA GLY 76 10.386 -2.913 15.767 641 H THR 77 H THR 77 13.008 -4.846 14.309 642 HA THR 77 HA THR 77 10.979 -6.725 13.332 643 HB THR 77 HB THR 77 12.139 -6.861 11.137 644 HG1 THR 77 HG1 THR 77 14.110 -5.792 12.061 645 HG21 THR 77 3HG2 THR 77 10.162 -5.234 11.806 646 HG22 THR 77 1HG2 THR 77 10.892 -5.179 10.202 647 HG23 THR 77 2HG2 THR 77 11.364 -4.000 11.427 648 H ARG 78 H ARG 78 11.680 -8.226 14.866 649 HA ARG 78 HA ARG 78 14.318 -8.948 15.397 650 HB2 ARG 78 1HB ARG 78 11.694 -10.374 15.655 651 HB3 ARG 78 2HB ARG 78 13.194 -11.232 15.983 652 HG2 ARG 78 1HG ARG 78 13.675 -9.954 17.842 653 HG3 ARG 78 2HG ARG 78 12.660 -8.612 17.309 654 HD2 ARG 78 1HD ARG 78 11.316 -9.483 18.934 655 HD3 ARG 78 2HD ARG 78 10.754 -10.424 17.554 656 HE ARG 78 HE ARG 78 12.889 -11.752 18.850 657 HH11 ARG 78 1HH1 ARG 78 9.510 -10.996 19.210 658 HH12 ARG 78 2HH1 ARG 78 9.167 -12.390 20.181 659 HH21 ARG 78 1HH2 ARG 78 12.451 -13.590 20.128 660 HH22 ARG 78 2HH2 ARG 78 10.842 -13.864 20.703 661 H GLU 79 H GLU 79 14.923 -11.448 14.975 662 HA GLU 79 HA GLU 79 14.626 -11.970 12.097 663 HB2 GLU 79 1HB GLU 79 16.996 -12.550 11.941 664 HB3 GLU 79 2HB GLU 79 16.789 -10.879 12.448 665 HG2 GLU 79 1HG GLU 79 17.259 -11.487 14.745 666 HG3 GLU 79 2HG GLU 79 17.395 -13.184 14.286 667 H GLU 80 H GLU 80 13.407 -13.132 14.537 668 HA GLU 80 HA GLU 80 13.942 -15.914 13.888 669 HB2 GLU 80 1HB GLU 80 14.028 -16.453 16.385 670 HB3 GLU 80 2HB GLU 80 15.471 -15.751 15.667 671 HG2 GLU 80 1HG GLU 80 15.142 -13.698 16.695 672 HG3 GLU 80 2HG GLU 80 13.434 -14.014 16.997 673 H SER 81 H SER 81 12.419 -17.315 15.408 674 HA SER 81 HA SER 81 9.810 -15.955 15.551 675 HB2 SER 81 1HB SER 81 8.997 -18.430 14.982 676 HB3 SER 81 2HB SER 81 9.394 -17.271 13.715 677 HG SER 81 HG SER 81 10.805 -18.689 13.097
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